smiles,mol_id,MUV-466,MUV-548,MUV-600,MUV-644,MUV-652,MUV-689,MUV-692,MUV-712,MUV-713,MUV-733,MUV-737,MUV-810,MUV-832,MUV-846,MUV-852,MUV-858,MUV-859
NC(=O)NC(Cc1ccccc1)C(=O)O,CID2999670,0.0,,,,0.0,,0.0,0.0,,,,,,,,,
Nc1ccc(C(=O)O)c(O)c1,CID4649,,,,0.0,0.0,,,,,,,,0.0,,,,0.0
C=CCNC(=S)Nc1ccc(Br)cc1F,CID2326654,,,,,,,,,,,,,,0.0,,,
COC(=O)C(NC(=O)Nc1ccccc1F)C(C)C,CID663712,,,,0.0,,,,,,0.0,,,0.0,,0.0,,
CC(C)CC(=O)Nc1ccc(OCC(=O)O)cc1,CID880264,,,,,,0.0,0.0,,,,,,,,,0.0,
CC(NC(=O)c1ccccc1F)C(=O)O,CID4679772,,,,,,,,,,,0.0,,,,,,
CCOc1ccc(OCCCN(C)C)cc1,CID2181873,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(OCCCCN(C)C)cc1,CID2182781,,,,,,0.0,0.0,,,,,,,,,,
CCOC(=O)NC(NC(=O)OCC)C(=O)c1ccccc1,CID2133145,,,0.0,,,,0.0,,,,,,,,,,
CCOC(=O)C(C(=O)OCC)C(=O)c1cc(OC)c(OC)c(OC)c1,CID81994,,,,,,,,,0.0,,,,,0.0,,,
C=CCNC(=O)c1c(Cl)cccc1Cl,CID1769592,,,,,,,0.0,,,,,,,,,,
CCN(CC)CCNS(=O)(=O)c1ccc(/C=C/C(=O)O)cc1,CID2457247,,,,,,,,,,,,,,0.0,,,
CCCCC(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1,CID2211986,,,,0.0,,,,,,,0.0,,0.0,,,0.0,
CCC(CC)C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1,CID888010,,,,0.0,,,,,,,,,,,,0.0,
COc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O,CID891129,,,,,0.0,,,,,,,,,,,,
O=C(NCCOCC(F)(F)C(F)F)c1cc(F)c(F)cc1Cl,CID2227113,,,,,,,,,0.0,,,,,,,,
CCCc1ccc(C(=O)CCC(=O)O)cc1,CID725542,,,0.0,,,,0.0,,0.0,,,,,,,,
O=C(O)CNS(=O)(=O)c1ccc(F)cc1,CID730269,,,,,,,0.0,,,0.0,,,,,,,
COCCNC(=O)c1ccc([N+](=O)[O-])cc1,CID2164860,,,,,,0.0,,,,,,,,,,,
CCOCCCNC(=O)c1ccccc1Br,CID2179046,,,,,,,,,,,,0.0,,,,0.0,
CCN(CC(=O)NC(C)(C)C)C(=O)c1ccc(Br)cc1,CID2461769,,,,,,,,,,,,,,,0.0,,
CC(=O)NCC(=O)NC(Cc1ccccc1)C(N)=O,CID3128469,,,,,,,,,,,,0.0,,,,,
CCCCNC(=O)CN(c1cccc(F)c1)S(C)(=O)=O,CID1815792,,,,,,,,,,,,0.0,,,,,
CCCCOc1c(Cl)cc(CNC(C)(C)CO)cc1OCC,CID2217251,,0.0,,0.0,,,,,,,0.0,,,,,,0.0
CC(=O)Nc1cccc(NC(=O)CCCC(=O)O)c1,CID791507,,0.0,,,,,,,,,,,,,,,
CNC(=O)COC(=O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1,CID2434959,,,,,,,,,,,,,,0.0,,,
C#CC(C)(C)NC(=O)c1ccccc1OC,CID729749,,,,,,,0.0,0.0,,,,,0.0,,,0.0,
COC(=O)C(NC=O)C(O)(Cc1ccccc1)C(F)(F)F,CID3000098,,,,,,,,,0.0,,,,,,,,0.0
C/C=C/C(=O)OCC(=O)Nc1ccc(OC)c(Cl)c1,CID2370685,,,,,,,,,,,,,,0.0,,,
CCN(CC)S(=O)(=O)c1ccccc1/C=N/O,CID645015,,0.0,,,0.0,,0.0,0.0,,0.0,,,,,,,
CCCC(C)C(=O)Nc1ccc(C(N)=O)cc1,CID3485817,,,,1.0,,,,0.0,,,0.0,0.0,,,,,
CN(C)CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1,CID2998755,,,,0.0,,,,,,0.0,,,,,,,
CCOC(=O)/C(C#N)=C(/C)c1ccc(OC)cc1,CID762330,,,,,,,,,,,,0.0,0.0,,,,
CCOc1ccccc1C(=O)NCCC(=O)O,CID665917,0.0,,0.0,,,,0.0,,,,,,0.0,,,0.0,
CCOC(=O)CS(=O)(=O)c1ccccc1,CID82078,,,,,,,,,0.0,,0.0,,,,,,
C=CCN(CC=C)C(=O)Cc1ccc(F)cc1,CID798734,0.0,,,,,,,0.0,,0.0,,,0.0,,,0.0,0.0
CCOc1ccc(C(C)=O)cc1CC(C(N)=O)C(N)=O,CID2877837,,,,,,,,,,0.0,,,,,,,
CCCCS(C)=NS(=O)(=O)c1ccc(C)cc1,CID264200,,,,,,,,,,,,,,0.0,,,
CN(CC(N)=O)S(=O)(=O)c1ccc(F)cc1,CID893914,,,,,,,,,,,,,,,0.0,,
Cc1cc(NC(=O)CCCC(=O)OCC(F)(F)C(F)F)cc(C)c1C(=O)O,CID3237401,,,,,,,,,0.0,,,,,,,,0.0
COC(=O)C(O)(NC(=O)OCc1ccccc1)C(F)(F)F,CID3237406,,,,,,,,,0.0,,,,,,,,0.0
CCN(CC)C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-],CID798048,,,,,,,,,,,,,,0.0,,,
C=CCNCCCCOc1ccc(C)cc1[N+](=O)[O-],CID2296969,,,,,,0.0,,,,,,,,,,,
CCCC(=O)NC(=S)Nc1ccc(NC(=O)C(C)C)c(OC)c1,CID895405,,,,,,,,,,,,,,0.0,,,
C=CCNC(=O)C(=O)Nc1ccccc1OC,CID2249424,,,,,,0.0,,,,,,,,,,,
CSc1ccccc1C(=O)NCCSC(C)(C)C,CID2224882,,,0.0,,0.0,,,,,0.0,,,,,,,
Cc1cc(C)c(OCCCCCNCCO)c(C)c1,CID2249855,,,,,,,,,,0.0,0.0,,,,,,
CCOc1ccccc1NC(=O)CCC(=O)O,CID693071,,,0.0,,,,,0.0,,,,,,,,,
CCOc1ccc(NC(=O)NC(=O)N(C(C)C)S(C)(=O)=O)cc1,CID4070619,,,,,,,,,,,,,,0.0,,,
CCNS(=O)(=O)c1cc(Br)ccc1OC,CID935464,,,,,,,,,0.0,,,,,,0.0,,0.0
COCCNS(=O)(=O)c1cc(F)ccc1OC,CID1583576,,,,,,,,,,,,0.0,,,,,
COc1ccc(Cl)cc1NC(=O)COC(=O)CCNC(C)=O,CID2432140,,0.0,0.0,,,,,,,,0.0,,,,,,
CCN(CC)CCOc1cccc(C(C)C)c1,CID869467,,,,,,,,,,0.0,0.0,,,,,0.0,
CCOC(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O,CID2219465,,,,,,,,,0.0,,,,,,,,
CCOCCCNC(=O)CCS(=O)(=O)Cc1ccc(C)cc1,CID3242296,,,,,,,,,,,,,0.0,,,0.0,
COC(=O)CCC(=O)NNC(=O)c1ccc(Br)cc1,CID1713220,,,,,,,,,,,,0.0,,,,,
CC(C)C(=O)Nc1ccc(O)cc1C(=O)O,CID745336,,,,,,0.0,,,,,,,,,,,
COc1ccc(/C(N)=C/C(=O)C(C)(C)C)cc1,CID2249382,,,,,,,,0.0,,,0.0,,,,,,
COc1ccc(OC)c(S(N)(=O)=O)c1,CID209044,,,,,0.0,,0.0,,,,,,,,,,
O=C(O)CCCC(=O)Nc1ccc(Br)cc1C(=O)O,CID2203738,,,,,,,,,,,,,,0.0,,,0.0
CC(Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)NC(N)=O,CID2997729,,,,,,,,,0.0,,,,,,,,0.0
CCCC(C)NC(=O)c1cc(Cl)ccc1OC,CID2904007,,,,,,,,,,0.0,,,,,,,
CCCN(CCC)C(=O)C(CC)c1ccccc1,CID3774151,,,,,,0.0,,,,,,,,,,,
CN(C)C(/C=C/Nc1ccc([N+](=O)[O-])cc1)=C(C#N)C#N,CID5854953,,,,,,,,,,,,,,,0.0,,
CCNS(=O)(=O)c1ccc(Br)c(OC)c1,CID850060,,,,,,,,,0.0,,,,,0.0,,,
CCN(CC)S(=O)(=O)c1cc(C)c(C)cc1Br,CID883146,,,,,,,,,0.0,,,,,0.0,,,
COCC(=O)Nc1ccc(C(N)=O)cc1,CID886017,,,,0.0,0.0,,0.0,,,,,0.0,,,,,
CCCC(=O)Nc1ccc(C(=O)NCC(=O)OCC)cc1,CID2201382,,,,,,,0.0,0.0,,0.0,,,,,,0.0,
COC(=O)Nc1ccc(C)cc1NC(=O)OC,CID898091,,,,0.0,,,0.0,,,,,,0.0,,,,
CC(C)CNC(=O)CC(=O)N/N=C/c1ccc(Br)cc1,CID2247360,,,,,,,,,,,,,,,0.0,,
CCOCCC(=O)Nc1cc(Cl)ccc1OC,CID2226242,,,,,,,,,,0.0,,,,,,,
CCOC(=O)CCNC(C(=O)OCC)c1ccccc1,CID3316589,,,,,,,,,,,,0.0,,,,,
Cc1cc(OCCNCCO)cc(C)c1Cl,CID2262399,0.0,,,,,,,,,,,,,0.0,,,0.0
O=C(NCCO)c1ccccc1O,CID90407,,,,,,,,,,,,,,0.0,,,
CN(C)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1,CID973230,,,,,,,,,,,,,0.0,,0.0,,0.0
COCCNC(=O)C(=O)N/N=C/c1ccc(C(=O)OC)cc1,CID3105096,,,,,,,,,,,,,,0.0,0.0,,
CSCCC(NC(=O)OCc1ccccc1)C(=O)O,CID1550857,,,,,,,,,0.0,,,,,,,,
CS/C(=C\[N+](=O)[O-])Nc1ccc(F)cc1,CID5523713,,,,,,,,,,,,,,0.0,,,
CCN(CC)Cc1cc(CC(C(N)=O)C(N)=O)ccc1OC,CID658701,,,,,0.0,,,,,,,,,,,,
CCOc1cc(C)c(Cl)cc1S(=O)(=O)N(C)C,CID2237427,,,0.0,,,,,,,0.0,,,,,,,
C=CCNC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O,CID2271523,,,,,,,,,0.0,,,0.0,,,,0.0,0.0
CC(C)(C)NC(=O)NC(=O)COc1ccccc1C#N,CID2565283,,0.0,,,,,,,,,,0.0,,,,,
NC(=O)c1ccccc1OCC(=O)O,CID93086,,,,,,,,,,,,0.0,,,,,
CC(=O)Nc1ccc(OC(F)(F)C(F)C(F)(F)F)c(NC(C)=O)c1,CID2831257,,,,,,,,,0.0,,,,,,,,0.0
COc1ccc(OC)c(NC(=O)CSCC(=O)O)c1,CID655129,,,,,,,,0.0,0.0,,,,,,,0.0,0.0
CCOC(=O)/C=C/C(=O)OCC(=O)Nc1c(Cl)cccc1Cl,CID6367725,,,,,,,,,,,,,,0.0,,,
CCOC(=O)CC(=O)Nc1ccc(C(=O)OCC)cc1,CID765425,,,,,,,,,,,,,0.0,,,,
COC(=O)c1ccc(C(=O)OC)c(N)c1,CID79336,,,,,0.0,,,0.0,,,,,0.0,,,,
Cc1ccc(SCCNC(=O)C(C)C)cc1,CID2192711,,0.0,,,0.0,,0.0,,,,,,,,,,
CCN(CC)NC(=O)Nc1ccccc1,CID552344,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(C)=O)cc1CSCCC(=O)O,CID661152,,,0.0,,,,,0.0,,,,,,0.0,,,
CCCCC(CCC(=O)Nc1ccc(C(=O)OC)cc1)C(=O)O,CID661155,,,,,,,0.0,,,,,,,,,,
CCc1ccc(NS(=O)(=O)N(C)C)cc1,CID885193,,,,,,0.0,,,,,,,,0.0,,,
NC(=S)NNc1cc(Cl)cc(Cl)c1,CID5153151,,,,,,,,,,,,0.0,,,,,
CCCCN(c1ccccc1)S(=O)(=O)N(C)C,CID3778134,,,,,,,,,,,,,,0.0,,,
CC(NC(=O)c1ccccc1Cl)C(=O)O,CID2787609,,,,0.0,,,0.0,,,0.0,,,,,,,
CC(C)(C)c1ccc(OCC(=O)O)cc1,CID15718,,,,,,,,,0.0,,,,,,,,
CN(C)c1ccc(/C(=N\O)C(F)(F)F)cc1,CID779786,,,,0.0,,,,,0.0,,,,,,,,0.0
CC(C)CC(O)(CC(C)C)C(=O)NNc1ccccc1,CID775671,,,,,,,,,,,,,,,0.0,,
COc1ccccc1OCC(O)COC(N)=O,CID4107,,,,,0.0,,,0.0,,,,,,,,,
C/C(Nc1ccc(Cl)cc1)=C(/C#N)C(N)=O,CID785929,,,,,,,,,,0.0,,,,,,,
CCC(C)C(=O)Nc1cc(OC)c(OC)cc1C(=O)O,CID2966347,,,0.0,,,,0.0,,,,,,,,,,
CC(=O)N(CC(C)(C)CC=C(C)C)c1ccccc1,CID2053713,,,,0.0,,0.0,,,,,,,,,,,
CCc1ccc(N/C(SC)=C(/C#N)C(N)=O)cc1,CID3235581,,,,,,,,,,,,,,0.0,,,0.0
Cc1cc(Cl)ccc1OC(C)C(=O)O,CID7153,,,,,,,,,,0.0,,,,,,,0.0
CCN(CC)C(=S)SCCC(=O)NC(=O)Oc1ccc(C(C)C)cc1,CID2282503,,,,,,,,,,,,,,,0.0,,
CC(C)CCNC(=O)c1cccc(Cl)c1,CID669768,0.0,0.0,,,,,,,,,,,,,,,
CC(C)(C)NC(=O)CS/C(=N\c1ccccc1F)NC#N,CID1774128,,,,,,,,,,,,,,,0.0,,
CCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)O,CID3242104,,,,,,,,,,,,,0.0,,,,
CC(C)/N=C(\NC#N)SCc1ccccc1,CID3700772,,,,,,0.0,,,,,0.0,,,,,,
C=CCN(C)NC(=S)Nc1ccccc1,CID3143319,,,,,,,,,,,,,,,0.0,,
CCCCOc1ccc(OCCNS(=O)(=O)N(C)C)cc1,CID2317132,,0.0,,0.0,,,0.0,0.0,,,,,0.0,,0.0,,
COC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1,CID827568,,,,0.0,,,0.0,,,,,,0.0,,,,
CCOc1ccc(C(=O)CCC(=O)O)cc1,CID725709,,,,,,0.0,,,0.0,,,,,0.0,,,
Nc1cc(Cl)c(N)cc1Cl,CID29949,,,,,,,0.0,,,,,,,,,,
C=CCNC(=O)CCCc1ccccc1,CID2226842,,0.0,,,,,0.0,,,,,,,,,0.0,
CCN(CC)CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1,CID2309802,,,,,,,,,,0.0,,,0.0,,,0.0,0.0
CCN(CC)CCCOc1ccc(C)cc1Br,CID2297511,,,,,,,,,,,,0.0,,,,,
CCN(CC)C(=O)C(=O)Nc1ccc(OC)c(Cl)c1,CID2196963,,,,,,,,,,,,,,0.0,,,
C=CCN(CC=C)C(=O)Nc1cc(Cl)ccc1OC,CID2211464,,,,,,,0.0,,,,,,,,,,0.0
C=CCNC(=S)NC(=O)/C=C/c1ccccc1,CID2255851,,,,,,0.0,,,,,,,,,,,
CSCCC(NC(N)=O)C(=O)NCc1cccc(Cl)c1,CID3904308,,,,,,,,,,,,0.0,,,,,
N#C/N=C(\N)c1ccccc1,CID270782,,,,,,,,,,,,0.0,0.0,,,,
CCOCCCNC(=O)c1ccc(NC(C)=O)cc1,CID2163021,,,,,,,,,,0.0,0.0,,,,,,
Cc1ccc(S(=O)(=O)NCCCCCC(=O)N(C)C)cc1,CID3244659,,,,,,,,0.0,,,,,,,0.0,,
C=CCNC(=O)CCCOc1cc(C)ccc1C,CID1570484,,,,,,,,,,,,,,,,0.0,
CCC(=O)c1ccc(C(C)CCC(=O)O)cc1,CID666089,,,,,,,,,0.0,,,,,,,,
Cc1ccccc1NC(=O)CSCCO,CID2187895,,,0.0,,0.0,,0.0,,,,,,0.0,0.0,,,
COc1ccc(N(CC(=O)NCCSC(C)(C)C)S(C)(=O)=O)c(OC)c1,CID2289498,0.0,,,,0.0,,0.0,,,,0.0,,,,0.0,,
CC(C)NC(=O)CCNC(=O)c1ccc(F)cc1,CID3240172,,,,0.0,,,0.0,,,,,,,,,,
COCC(=O)NCCc1ccc(S(N)(=O)=O)cc1,CID798105,,,,,,,,,0.0,,,0.0,0.0,,,,
C=CC(O)(C#CCN(CC)CC)c1ccccc1,CID3236196,,,0.0,,,,,,,0.0,,,,,,0.0,
CCOc1ccc(NS(=O)(=O)N(C)C)cc1,CID669941,,,0.0,,0.0,,0.0,,,,,,0.0,,,,
CC(C)OC(=O)CC(NC(=O)OC(C)(C)C)c1ccccc1,CID6636318,,,,,,,,,,,,,,,0.0,,
CN(C)C(/C=C/Nc1ccc(F)cc1F)=C(C#N)C#N,CID5523562,,,,,,,,,,,,,,,0.0,,
CN(C)CCCOC(=O)c1ccccc1,CID2249229,,,,,,,,,,,,,,0.0,,,
CC(C)(NO)/C(=N/O)c1ccccc1,CID378671,,,,,,,,,,0.0,,0.0,,,,,
CCCCNC(=O)COC(=O)c1cc(F)c(F)cc1Cl,CID2435775,,,,,,,,,0.0,,,,,,,,
CNCC(O)c1ccc(O)cc1,CID7172,,,,,0.0,,0.0,0.0,,,0.0,,,,,,
C/C(N)=C(/C#N)C(=O)COC(=O)COc1ccc(Cl)cc1,CID5742501,,0.0,,,,,,,,,,,,,,0.0,
Cc1ccc(Cl)cc1NC(=O)COC(=O)CC(C)(C)C,CID2349949,,,,,,,,,,,,,,0.0,,,
Cc1ccc(CNC(C)(C)CO)cc1,CID834066,,,,,,,,,,,,,,,0.0,,
COc1cccc(CCC(=O)O)c1OC,CID314929,,,,,,,,0.0,0.0,,,,,,,0.0,
CC(=O)c1ccc(CCCC(=O)O)cc1,CID885285,,,,,,,0.0,,0.0,,,,,,,,
CCCCNC(=O)Nc1ccc(C(O)(C(=O)OC)C(F)(F)F)cc1,CID660191,,,,,,,,,0.0,,,,,,,,0.0
CC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1ccc(C)c(F)c1,CID3240691,,,0.0,,,,,,,0.0,,,0.0,,,,
COC(=O)c1ccc(OCC(O)CN(CC(C)C)CC(C)C)cc1,CID3133108,,,,,,,,0.0,,,0.0,,0.0,,,,
CN(C)CCCNC(=O)/C(=N\O)c1ccccc1,CID6808043,,,,,,,,,,,,0.0,,,,,
Cc1ccc(NC(=O)CCC(=O)OCC(F)(F)C(F)F)cc1,CID2832939,,,,,,,0.0,,0.0,,,,,,,,
CN(C)CCNC(=O)Nc1cccc(Cl)c1Cl,CID978037,,,,,,,,,,,,,,,0.0,,
CCCc1ccc(OCC(=O)O)cc1,CID348580,,,,,,,,0.0,0.0,,,0.0,,,,,
CCCC(=O)Nc1ccc(C)c(O)c1,CID837215,,,,,,0.0,,,,,,,,,,,
COC(=O)C(C)NC(=O)COc1ccccc1,CID2303069,,,,,,,,,,,,,,,0.0,,
COC(=O)C(C)NC(=O)NCc1ccccc1F,CID5389876,,,,,,,,0.0,,,,,0.0,,,,
CCOC(=O)c1cccc(NC(=O)NC(C)C(=O)OC)c1,CID5389879,,,,0.0,,,,,,,,,,,0.0,,
CC(=O)C(Cl)C(=O)Nc1ccccc1,CID160212,,,,,,,,,,,,,,0.0,,,
CCOC(=O)/C(C(=O)c1ccccc1)=C(\N)NC,CID2197142,,,0.0,,0.0,,0.0,,,,,,,,,0.0,
O=C(CCC(=O)Nc1ccccc1)NCCO,CID1910808,,,,,,,,,,,,0.0,,,,,
CCC(C)C(NC(=O)NCc1ccccc1Cl)C(=O)O,CID663641,0.0,,0.0,,,,,,,0.0,,,,,0.0,0.0,0.0
CCC(C)C(NC(=O)NCc1ccccc1)C(=O)O,CID663644,,0.0,,,,,,0.0,,,,,,,,,0.0
COCCNS(=O)(=O)c1ccc(SC)cc1,CID2944395,,,,,,,0.0,,,0.0,,,0.0,,,,
COCCCNC(=S)Nc1ccc(C)cc1[N+](=O)[O-],CID2957231,,,,,,,,,,,,,,0.0,0.0,,
C/C(=N\NC(N)=S)c1ccccc1[N+](=O)[O-],CID2789942,,,,,,,,,,,,0.0,,,,,
CS(=O)(=O)NCCCc1ccccc1,CID1744854,,,,,0.0,,,,,,,,,,,,
CCOc1ccc(NC(=O)CSCC(=O)O)cc1,CID864359,,,,,,,,,0.0,,0.0,,,,,,
CCc1ccccc1N(CC(=O)OC)S(C)(=O)=O,CID879914,,0.0,,,,0.0,,,0.0,,,,0.0,,,,
NNC(=O)c1ccc(O)cc1,CID1742,,,,,,,,0.0,,,,,,,,,
CCC(=O)NC(=S)NNC(=O)c1ccc([N+](=O)[O-])cc1,CID3138324,,,,,,,,,,,,0.0,,,,,
CC(C)c1ccc(/C=C/C(=O)CCC(=O)O)cc1,CID1471685,,,,,,,,,,,,,,0.0,,,
CCCCC/C=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1,CID3440534,,,,,,,,,,,,,,,0.0,,
COc1cccc(OC)c1OCCNCCO,CID2263050,,,,,0.0,,,0.0,,,,,,,,,
C#CCOc1ccc(Cl)cc1/C=N/O,CID2287439,0.0,,,,,,,,,,,,0.0,0.0,,,
CCN(CC)S(=O)(=O)c1cc(OC)c(Cl)cc1Cl,CID849946,,,,,,,,,,,,0.0,,,,,
CNCCOCC(O)CSc1ccccc1,CID2865053,,,,,0.0,,,,,,,,,,,,
CCCCOC(=O)Nc1ccc(C(C)C)cc1,CID1562677,,,,,,,,,,,0.0,,,,,,
COCCNC(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O,CID647019,,,,,,,,,,,,,0.0,,0.0,,0.0
COCC(C)NC(=O)NC(=O)c1ccc(Cl)cc1,CID2972481,,,,0.0,,,0.0,,0.0,0.0,,,,,,0.0,
NC(=O)N/N=C/C=C/c1ccccc1,CID16192701,,,,,,,,,,,,,,,0.0,,
Cc1cc(C(C)(C)C)cc(S(=O)(=O)NCCO)c1C,CID1630270,,,,0.0,0.0,,0.0,,,,,,,,,,
CCOc1ccc(CN(CCO)CCO)cc1C(=O)OC,CID3245085,,0.0,,,0.0,,0.0,,,,,,,,,,
Cc1cccc(OCCCC(=O)O)c1,CID1622624,,,,0.0,,,,,0.0,,,,0.0,,,,
CC(=O)Nc1ccc(NS(C)(=O)=O)cc1,CID458876,,,,,,,,,,0.0,,,,,,,
CCCNS(=O)(=O)/C=C/c1ccccc1,CID2470551,,,,,,,,,,,,,,,0.0,,
CC(=O)NCCc1ccc(O)c(O)c1,CID100526,,,,,,,,0.0,,,,,,,,,
CC(C)CCNC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1,CID3243847,,,,,,,,,,,,,,,0.0,,0.0
CCCOC(=S)Nc1ccccc1,CID2172803,,,,,,,,,,,,0.0,,,,,
COC(=O)c1ccc(C)c(N(CCO)CCO)c1,CID337779,,,,0.0,0.0,0.0,,0.0,,,,,0.0,,,0.0,
CCOCCCNC(=O)c1ccccc1SCC,CID2204707,,,,0.0,0.0,,0.0,,,,0.0,,0.0,,,,
COc1ccc(C(=O)/C(C)=N/O)cc1OC,CID6419301,,,,,,,,,,0.0,,,,,,,
COCc1cc(C(C)=O)ccc1OC,CID2525930,,,,,,,,,0.0,,,,,,,,
CCCCOc1cccc(C(=O)O)c1,CID652955,,,,,,,,,0.0,,,0.0,0.0,,,0.0,
CCC(CC)C(=O)NCCc1ccc(OC)c(OC)c1,CID882167,,,,,,,,,,,,,,,,0.0,
COC(=O)CSc1ccccc1C(=O)OC,CID223910,,,,,,,0.0,,0.0,,,,0.0,0.0,,0.0,
COC(=O)Nc1c(C(=O)OC)cc(OC)c(OC)c1OC,CID728877,,,,,0.0,,,0.0,,,,,,,,,
CC(C)CNS(=O)(=O)c1ccc(CCC(=O)O)cc1,CID969637,,,,,,,0.0,,0.0,,,0.0,,,,,
Cc1cc(OCC(=O)NCCO)ccc1Cl,CID2183921,,,,,,,,,,0.0,,,,,,0.0,
CC(C)(C)NC(=O)COC(=O)c1cc(Br)ccc1Cl,CID2120151,,,,,,,,,,,,,,,0.0,,
Cc1ccc(S(=O)(=O)NCCCCCC(=O)NC(C)(C)CO)cc1,CID3243196,,,0.0,0.0,,,,,,,,0.0,,,,,
CCN(CC)C(=O)C(C)OC(=O)COc1ccc(Cl)cc1C,CID652623,,0.0,,0.0,,,,,,0.0,,,,,,,
CCCCNC(=O)c1cccc(C(=O)NCCCC)c1,CID2164314,,,,0.0,,,,0.0,,,,,,,,,
CCOC(=O)C(NC(C)=O)(Nc1cccc(F)c1)C(F)(F)F,CID657908,,,,,,,,,0.0,,,,,,,,0.0
C#CCOc1c(Br)cc(/C=N/O)cc1OCC,CID2288184,,,,,,,,,,,,0.0,,,,,
CCOCCCNC(=O)c1ccc(Br)cc1,CID2180101,,,,,,,,,,,,0.0,,,,,
CCOc1cccc(NC(=O)CC#N)c1,CID2274919,,,0.0,,,,0.0,,,,,,,,,,
CCCCNCCCOc1cccc(Cl)c1,CID2250946,0.0,,,,,,,,,,,,,0.0,,,
Cc1ccc(CNS(=O)(=O)N(C)C)cc1,CID670059,,,,,,,,,,0.0,,,,,,,
CCOC(=O)COC(=O)c1ccc(O)cc1,CID1930187,,,,,,,,,,,,,,0.0,,,
O=C(O)CCC(NC(=O)OCc1ccccc1)C(=O)O,CID219352,,,,,,,,,,,,,0.0,,,,0.0
CS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1,CID2329132,,,,,,,,,,0.0,,,,,,,
CCCCC(=O)OCC(=O)c1ccc(OCC)cc1,CID2835337,,,,,,,,,0.0,,0.0,,,0.0,,,
CCCCN(CC)C(=O)c1ccc(Cl)c(Cl)c1,CID2163962,,,,,,,,,,0.0,,,,,,,
CCCCN(CC)C(=O)c1cccc(Cl)c1,CID2163960,,,,,,,,,0.0,0.0,0.0,,,,,0.0,0.0
C/C(=N\NC(=O)C(C)Sc1ccccc1)C(C)(C)C,CID3110502,,,,,,0.0,,,,,,,,,,,
CCCC(=O)Nc1cc(OC)ccc1OC,CID306871,,,,,,0.0,,,,,,,,,,,
CCCOC(=O)Nc1cccc(C(C)=O)c1,CID1586076,,,,,,,,,0.0,,,,,,,,
CCCCC(=O)c1ccc(O)cc1O,CID1825884,,,,,,,,,,0.0,,,,,,,
CCC(CC)NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-],CID884152,,,,,,0.0,,,,,,,,,,,
CCN(CC)/C(=N/C(=O)NS(=O)(=O)c1ccc(C)cc1)NO,CID6411273,,,0.0,,,,,,,,,,,,,,
CCOC(=O)C(Cc1cc(C(C)=O)ccc1OC(C)C)C(=O)OCC,CID648217,,,0.0,,,,,0.0,,,,,,,,,
CCOc1ccc(NC(=O)CCC(=O)OC)cc1,CID779491,,,,0.0,,,0.0,,,0.0,,,,,,,
Cc1cc(N(CC(=O)O)S(C)(=O)=O)ccc1Br,CID966828,,,,,,,,,0.0,,,,,,,,
C=CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-],CID2169666,,,,,,,,,,,,,,0.0,,,
CCOc1cc(/C=N/O)cc(Cl)c1OC,CID840995,,,,,,,,,,,,,,0.0,,,
COc1ccccc1NC(=S)NC(=O)C(C)C,CID847561,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(=O)NCC(C)CN(C)C)cc1,CID646122,,,,0.0,,,,0.0,,0.0,,,,,,,0.0
COc1ccc(NC(=O)C=C(C)C)cc1Cl,CID731858,0.0,0.0,,,,,,,,0.0,,,,0.0,,,
CCN(CC)C(=S)NC(=O)c1ccc(OC)c(Br)c1,CID833421,,,,,,,,,,,,,,0.0,,,
CN(C)S(=O)(=O)c1ccccc1C#N,CID697873,,,,,,,0.0,,,,,,,,,,
COCCCNC(=O)Nc1ccc(F)cc1F,CID2206192,,,,0.0,,,,,0.0,,,,,,,,0.0
CC(Oc1ccc(F)cc1)C(=O)/C=C\N(C)C,CID11958826,,,,,,,,,,,,,,,0.0,,
CCN(CC)CCNC(=O)c1ccccc1N,CID121216,,,,,,,0.0,,,,,0.0,,,,,0.0
COC(=O)C(CCSC)NC(=O)Nc1ccc(OC)c(Cl)c1,CID664202,,,,0.0,,,,,,,,,,,,,
CCOc1ccc(C(=O)NCCN(C)C)cc1,CID891344,,,,0.0,,,,,,,,0.0,,,,,
CCOC(=O)CC(=O)NC(CC(=O)OC)c1ccc(Br)cc1,CID2768179,,,,,,,,,,,,,,0.0,,,
CCN(CC)C(=O)COc1ccc(CC(=O)O)cc1OC,CID879607,,,,,,,,,,,,,,,,0.0,
O=C(O)CSCCCC(=O)Nc1ccc(Br)cc1,CID648081,,,,,,,,,0.0,,,,,0.0,,,
CCS(=O)(=O)/N=C(\N)c1ccccc1,CID2306902,,0.0,,0.0,0.0,,,,,,,0.0,,,,,0.0
CC(=O)NC(C)C(=O)OCC(=O)Nc1ccc(Br)cc1,CID2894495,,,,,,,,,,,0.0,0.0,,0.0,,0.0,0.0
Cc1ccccc1OCC(=O)NCCN(C)C,CID650515,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1ccc(CNC(=O)CCC(=O)O)cc1,CID883266,,,,,,,,,,,,,0.0,,,0.0,
CCN(CC)CCNC(=O)COc1ccc(Cl)cc1Cl,CID206267,,,,,,,,,0.0,0.0,,,,,,,
COc1ccc(C(=O)N(C(C)C)C(C)C)c(OC)c1,CID801007,,,,,,,,,,,0.0,,,,,,
CCCCNC(=O)Nc1cc(C(=O)OC)ccc1Cl,CID2174159,,,,,,,,,,0.0,,,,,,,
CCC(COC(=O)Nc1cccc(C)c1C)NC(=O)OCC(C)C,CID2971605,,0.0,,,,,,,,,,,0.0,,,,
CC(C)NC(=O)CSCc1c(F)cccc1Cl,CID838666,,,,,,,,,,0.0,,,,,,,
CC(=O)Cc1ccccc1OCC(=O)O,CID786429,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC(=O)CCCC(=O)O)c(Br)c1,CID3240854,0.0,,,,,,,,,,,,,,,,0.0
CC(C)N(C(=O)COc1ccc(Br)cc1Cl)C(C)C,CID2230655,0.0,,,,,,,,,,,,,,,,
COC(=O)C(CCSC)NC(=O)Nc1cc(C)ccc1C,CID664859,,,,,0.0,,0.0,,,,,,0.0,,,,
O=C(O)CSc1ccccc1C(=O)O,CID8660,,,,,,,,,0.0,,,,,,,,
COc1cc(C(=O)OCC(C)=O)c([N+](=O)[O-])cc1OC,CID3544351,,,,,,,,,,,,,,0.0,,,
CCN(CC)S(=O)(=O)c1cc(C(=O)OC)ccc1Cl,CID797030,,,,,,,,,,,,,,0.0,,,0.0
COc1ccccc1NC(=O)CS/C(=N/C(C)C)NC#N,CID660496,,,0.0,,,,0.0,,,,,,0.0,,,,
COc1ccccc1NC(=O)C/C(N)=N/O,CID9661043,,,,,,,,,,,,0.0,,,,,
CCOC(=O)NCc1ccc(CNC(=O)OCC)cc1,CID2165506,,,,0.0,,0.0,0.0,,,,,,0.0,,,0.0,
C=CCNC(=S)NCc1ccccc1OC,CID2171101,,,,,,,,,,,,,,0.0,,,
CC(C)NC(=O)NC(=O)COC(=O)CCOc1ccccc1,CID4876008,,,,,,,,,,,,,,,0.0,,
CN(C)/C=N/C(=S)Nc1ccc(Br)cc1F,CID2766541,,,,,,,,,0.0,,,,,,,,
CC(=O)Nc1cccc(N(C)C)c1,CID81988,,0.0,,0.0,,,,,,,,,0.0,,,0.0,
CCCCOc1ccc(C(=O)NCC(=O)NCC(=O)OCC)cc1,CID600881,,,,0.0,,,,,,,,,,,,,
CCCCCCC(=O)NCC(=O)OCC(=O)c1ccccc1,CID651068,,,,,,0.0,,,,,,,,,,0.0,
Cc1ccc(C(C)C)c(OCCNS(C)(=O)=O)c1,CID578985,,,0.0,,0.0,,,,,,,,,,,,
CN(C)S(=O)(=O)Nc1ccccc1C(N)=O,CID884966,,,,,,,,,,,0.0,,,,,,
CCN(CC)C(=O)C(=O)N/N=C/c1ccc(Br)cc1,CID2244303,,,,,,,,,,,,0.0,,,0.0,,
CCOC(=O)COc1ccc([N+](=O)[O-])cc1,CID308938,,,,,,,,,,,,,,0.0,,,
COC(=O)C(O)(CC(=O)Nc1ccc(C)c(F)c1)C(F)(F)F,CID2961833,,,,,,,,,0.0,,,,,,,,
COC(=O)c1ccc(C(=O)OC)c(NS(C)(=O)=O)c1,CID669033,,,,,,,0.0,0.0,,,,,,,,0.0,
COC(=O)C(N)Cc1ccc(O)cc1,CID70652,,,,0.0,0.0,,0.0,0.0,,,,,0.0,,,,
CC(C)N(Cc1ccccc1)S(=O)(=O)N(C)C,CID669852,,,,0.0,,,,,,,,,0.0,,,,
CCOC(=O)CNC(=O)c1ccccc1Br,CID603150,0.0,,,,,,,,,,,0.0,,,,,0.0
C=C(NC(C)=O)C(=O)c1ccc([N+](=O)[O-])cc1,CID246761,,,,,,0.0,,,,,,,,,,,
COC(=O)C(NC(=O)Nc1ccc(OC)cc1)C(C)C,CID663577,,,,0.0,,,,0.0,,0.0,,,0.0,,,0.0,
CC(C)=C(NC(=O)c1ccccc1)C(=O)NCCCO,CID1878728,,,,,,,,,,0.0,,0.0,,,,,
CC(C)(C)C(=O)NCCCc1ccccc1,CID2230496,,,,,,0.0,,,,,,,,,,,
CCC(CC)C(=O)NCc1ccccc1Cl,CID882091,0.0,,,,,,,,,0.0,,,0.0,,,,0.0
COc1ccc(/C=C/C(=O)N(C(C)C)C(C)C)cc1Br,CID718487,,,,,,,,,,,,0.0,,,,,
COc1ccc(/C=C/C(=O)NC(C)C)cc1Br,CID718483,,,,,,,,,,,,0.0,,,,,
CC(C)NC(=O)CCCc1ccccc1,CID885953,,0.0,,,,,,,,,0.0,,,,,0.0,
COc1cc(Cl)cc(C#N)c1OCC(=O)O,CID1302605,,0.0,0.0,0.0,,,,,,0.0,,,,,,,
CC(C)CCOc1ccc(C(=O)O)cc1,CID251293,,,,,,,,,0.0,,,0.0,,,,,0.0
CCN(CC)S(=O)(=O)c1cccc(C(=O)NC(C(=O)O)C(C)C)c1,CID2341112,,,,,,,,,,0.0,,,,,,,
O=[N+]([O-])c1cc(O)c(O)c([N+](=O)[O-])c1,CID3870203,,,,,,,,0.0,,,,,,,,,
COc1cc(S(=O)(=O)NC(C)C)ccc1Cl,CID1257337,,,,,,,,,,0.0,,,,,,,
CC(C)CCNC(=O)NC(=O)COc1ccccc1C#N,CID2565430,,0.0,0.0,,,,,,,,,0.0,0.0,,,,
CCNC(=O)NC(=O)COc1ccccc1C#N,CID2565436,,,,,,,,,0.0,0.0,,,,,,,
CCCC(C)NS(=O)(=O)c1ccc(OC)c(C)c1,CID2954109,,,,,,0.0,,,,,,,,,,,
NC(=O)SCC(=O)Nc1ccc(Cl)c(Cl)c1,CID873462,,,,,,,,,,,,,,,,0.0,
CCCCOc1ccc(C(=O)NC)cc1,CID2232178,,,,,,,,,,,,,,,,0.0,
COc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/C(=O)O,CID5919709,,,,,,,,,,,,,,,0.0,,
CC(=O)NNC(=O)CCC(=O)Nc1ccccc1,CID1632392,,,,,,,,,,,,0.0,,,,,
CCCNC(=O)CCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)NCCC,CID2974193,,,,,,,,0.0,,,,,,,,,
CCCCS(=O)CC(CS(=O)CCCC)OC(=O)c1ccccc1,CID2895288,,,,,,,,,,,,,0.0,,,,
CCCCC(=O)NC(=S)Nc1c(C)cc(Br)cc1C,CID1718175,,,,,,,,,,,,,,0.0,,,
CCCCC(=O)NC(=S)Nc1cccc(NC(=O)CC)c1,CID1718170,,,,,,,,,,,,0.0,,,,,
CCC(Sc1ccccc1C(=O)O)C(=O)O,CID2876039,,,,,,,,,0.0,0.0,,0.0,,,,,
COC(=O)c1ccc(/C=N/NC(=O)CC(=O)NC(C)C)cc1,CID2247432,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C(=O)NC=C(Cl)Cl)cc1,CID651612,,,,,,,,,0.0,,,,,,,,
CCOc1ccc(S(=O)(=O)NCCCl)cc1,CID1713479,,,,,,,,,,,,,,,0.0,,
C/C(Nc1ccccc1)=C(/C#N)C(N)=O,CID793429,,,,,,,,,,,,0.0,,,0.0,,
CCN(CC)C(=O)CSCC(=O)Nc1ccccc1,CID2302648,,0.0,,0.0,0.0,,,,,,,,,,,,
CCOC(=O)/C(C#N)=C\c1ccc(OC)c(OC)c1,CID1551281,,,,,,,,,,,,,,0.0,,,
CCS(=O)c1ccccc1C(=O)O,CID2997876,,,,0.0,,,,,0.0,,,,,,,,
COc1ccc(Cl)cc1C(=O)NCC(C)C,CID874434,0.0,,,,,,,,,0.0,,,,0.0,,,
CC(C)c1ccc(O)c(N)c1,CID662440,0.0,,,,,,0.0,0.0,,,0.0,,0.0,,,,
CCC(=O)Nc1cccc(Br)c1,CID806279,,,,,,,,,,,,0.0,,,0.0,0.0,
CC(=O)Nc1ccc(C(=O)OCCC(C)C)cc1,CID700602,0.0,,0.0,,,,,,,,,,,,,0.0,
CCOCC(=O)Nc1cccc(OC)c1,CID2162893,,,,,,,,0.0,,,,,,,,0.0,
COc1ccc(CNCCCO)cc1OC,CID2048402,,,,,,,,,,0.0,,,,,,,
Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,CID577801,,,,,,,,,0.0,,,,,,,,
CC#CCCCC(=O)Nc1ccccc1C(=O)O,CID3238356,,,0.0,0.0,,,,0.0,,,,,0.0,,,0.0,
Cc1cc(OCC(=O)NCCO)cc(C)c1Cl,CID1733715,,0.0,,,,,0.0,,,,,,,,,0.0,
CCc1cccc(OCCCCNCCOC)c1,CID2298496,,,,0.0,,,0.0,,,,0.0,,,,,0.0,
CC(C)OCCCNC(=O)c1ccc(Br)cc1,CID2208941,,,,,,,,,,,,0.0,,,,,
CCc1ccc(OCC(=O)N(C)CCC#N)c(Br)c1,CID2215688,0.0,,,,,,,,,,,0.0,,,0.0,0.0,
COCCCNC(=O)c1ccccc1NS(C)(=O)=O,CID2217865,,,,,,,,,,,,0.0,,,,,
COCCCNC(=O)c1ccccc1SC,CID2217867,,,,,0.0,,0.0,,0.0,,,,,,,,0.0
CCCCC(=O)NCCc1ccc(OC)cc1,CID1769471,,,,,,,,,,0.0,,,,0.0,,,
CC(C)NC(=O)c1ccc(COCC(F)(F)F)cc1,CID891620,,,,,,,,,0.0,,,,,,,,
Cc1cc(Cl)cc(Br)c1OCCNCC(C)O,CID2977524,,,,,,,,,,,,,,,,0.0,0.0
COC(=O)C(CC(C)C)NC(=O)c1cc(OC)c(OC)c(OC)c1,CID2787707,,,,,,,0.0,,,,,,,,,0.0,
COc1ccc(N)cc1C#N,CID4102671,,0.0,,,,,,,0.0,,,,,,,,
CCc1ccc(OCC(=O)NCCN(C)C)c(Br)c1,CID1815678,0.0,,,,,,,,,,,0.0,,,,0.0,0.0
COCCNCCOCCOc1cccc(OC)c1,CID1989701,,,,0.0,0.0,0.0,,,,,,,0.0,,0.0,0.0,
CC(=O)Nc1ccc(NS(=O)(=O)C(F)(F)F)cc1,CID1335219,,,,,,,,,,,,,,,,,0.0
CCC(C)(CC(=O)N(C)CCC#N)c1ccccc1,CID662280,,,,,,,,,,,,,0.0,,,,
CCOc1ccc(C(C)(N)C(=O)O)cc1,CID2835324,,,,,0.0,,,,,,,,,,,,
Cc1cc(OCCOCCN(C)CCO)cc(C)c1Cl,CID2280418,0.0,,,0.0,,,0.0,,,,,,0.0,,,,
CCN(CC)c1ccc(C(NC(C)=O)NC(C)=O)cc1,CID874127,,,,0.0,,,0.0,0.0,,0.0,,0.0,,,,,
Cc1ccc(S(=O)(=O)NCCC/C([O-])=C/[N+]#N)cc1,CID5389075,,,0.0,0.0,,,,,,,,0.0,,,,,
CCc1ccc(NC(=S)NC(=O)CC(C)C)cc1,CID1224411,,,,,,,,,,,,,,,0.0,,
CC(C)(C)SCCNS(=O)(=O)c1ccccc1,CID2277133,,,0.0,,,0.0,0.0,,,0.0,,,,,,,
CN(C)S(=O)(=O)c1ccc(NC=O)cc1,CID897238,,,,,,,,,,,,,,,0.0,,
COC(=O)CCC(=O)Nc1ccc(NC(C)=O)cc1,CID772856,,,0.0,,0.0,,,,,,,,0.0,,0.0,,
COC(=O)CNC(=O)CNC(=O)Nc1ccccc1,CID2029766,,0.0,,0.0,,,0.0,,,,,0.0,,,,0.0,
CCCCCCc1ccc(OCC(=O)OC)cc1OCC(=O)OC,CID3556295,,,,,,0.0,,,,,,,,,,,
CCOC(=O)Nc1cc(C)c(Cl)cc1OC,CID731693,0.0,,,0.0,,,,,0.0,0.0,,,,,,,
CC(=O)Oc1ccccc1C(=O)O,CID2244,,,,,,,,0.0,,,,,,,,,
CC(C)NCC(O)COc1ccc(CC(N)=O)cc1,CID2249,,,,,0.0,,,,,,,,,,,,0.0
CCC(NS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)O,CID540360,,,0.0,0.0,,,0.0,,,,,,,,,,
CCOc1ccc(/C=C\C(C)=N\O)cc1,CID5310779,,,,,,0.0,,,,,,,,,,,
CC(C)OC(=O)N(C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,CID1379974,,,,,,,,,0.0,,,,,,,,
Cc1ccc(NC(=O)CSC(N)=O)cc1Cl,CID873495,,,,0.0,,,,,,,,,,,,,
CC(C)COc1ccc(C(=O)NC(CC(C)C)C(=O)O)cc1,CID659183,,,0.0,0.0,,,,,,,,,,,,,0.0
CCCCC(=O)OCC(=O)Nc1ccc(OC(F)F)cc1,CID2368608,,,,,,,,,,,,,,,,,0.0
CC(C)NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1,CID3241446,0.0,,,,,,,,,,,,,,0.0,0.0,0.0
CCCCCCNC(=O)CCNC(=O)c1cc(OC)c(OC)c(OC)c1,CID3241441,,,,,,,,0.0,,,,,,,,,
CC#CCCCC(=O)Nc1cccc(C(=O)O)c1,CID3245699,,,,,,0.0,,,,,,,0.0,,,0.0,
CCCOc1ccccc1C(=O)NCCCC(=O)O,CID657466,,,,0.0,,,,,,,,,,,,0.0,
COC(/C=C/Nc1ccc(C)c(C)c1)=C(C#N)C#N,CID5524055,,,,,,0.0,,,,,,0.0,,,,,
COCCCNC(=O)CCNS(=O)(=O)c1ccc(C)cc1,CID3238544,,,,,,,,,,,,,0.0,,,,
CC(=O)NCC(=O)OCC(=O)c1ccc(C)c(C)c1,CID1616462,,,,,,,,,,,,,0.0,,,0.0,0.0
CCCCCNC(=O)Cc1ccc(OC)cc1,CID653397,,,,,,,,,,,,,,,,0.0,
CCN(CC)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O,CID2272992,,,,,,,,,,,,,,0.0,,,
CCCC(=O)Nc1ccc(Cl)c(NC(=O)C(C)(C)C)c1,CID891895,0.0,,,0.0,,,,,,,,,0.0,,,,0.0
COc1cccc(C(O)CC(N)=O)c1,CID660756,,0.0,,,0.0,,0.0,,,,,,0.0,,,,
CC(=O)Nc1ccc(OC/C=C(\C)Cl)cc1,CID2259209,,,,,,,,,,0.0,,,0.0,0.0,,0.0,0.0
CNC(=O)NC(=O)COC(=O)CCCOc1ccc(OC)cc1,CID2546786,,,0.0,,0.0,0.0,,,,,,,,,,,
CCOC(=O)N(C)c1ccc(C(O)(C(=O)OCC)C(F)(F)F)cc1,CID2817811,,,,,,,,,0.0,,,0.0,,,,,
COC(=O)NCCOC(=O)N(O)c1ccc(Br)cc1,CID3240634,0.0,,,,,,,,,,,0.0,,,,,
CCCCC(=O)Nc1cc(NC(=O)CCCC)cc(C(=O)O)c1,CID2193481,,,,,,,,,0.0,,,,0.0,,,,
CCOc1ccc(C(N)=O)cc1OC,CID2116876,,0.0,,,,,,,,,,,,,,,
CSc1ccc(N/N=C(\C#N)S(=O)(=O)C(C)(C)C)cc1,CID2764689,,,,,,,,,,,,,,,0.0,,
Cc1ccc(S(=O)(=O)NCCCNS(C)(=O)=O)cc1,CID2188831,,,,,0.0,,,,0.0,0.0,,,,,,,
CCN(CC)CC(=O)Nc1ccc(C)cc1Br,CID975178,0.0,,,,,,,,,,,,,0.0,,0.0,0.0
CCC(C)C(NC(=O)Nc1cccc(Cl)c1)C(=O)O,CID9551665,,,,,,,,,,,0.0,,,,,,
COC(=O)c1ccc(Cl)c(NC(C)=O)c1,CID820781,,0.0,,,,,,,,,,,0.0,0.0,,,0.0
NC(=O)SCC(=O)Nc1cccc(Cl)c1,CID873501,,0.0,,0.0,,,0.0,,,0.0,,,0.0,,,,
COc1ccc(S(=O)(=O)NCCC(C)C)cc1OC,CID768987,,,0.0,,0.0,,,0.0,,,,,,,,,
CCN(CC)S(=O)(=O)c1cc(C(=O)O)ccc1Cl,CID767898,,,,,,,,,,0.0,,,0.0,,,,0.0
CCN(CC)CCCNC(=O)NC(Cc1ccccc1)C(=O)O,CID664259,,,,0.0,,0.0,,,,,,,,,,,
COCCNC(=O)COc1ccc(C)c(C)c1,CID2286915,,,,,,,,,,0.0,,,,,,,
O=C(O)CCCC(=O)Nc1ccc(Br)cc1,CID766425,,,,,,,,,,,,0.0,,,,,
COC(=O)Cc1ccc(NC(=S)NCCC(C)C)cc1,CID899587,,,,,,,,,,,,,,,0.0,,
CCCCCNC(CC(=O)Nc1ccc(OC)cc1)C(=O)O,CID3237028,,0.0,,,0.0,,,0.0,,,,,,,,,0.0
CCOCC(=O)Nc1cccc(NC(C)=O)c1,CID2162841,,,,0.0,,,0.0,,,,,0.0,0.0,,,,
CC(=O)NCCC(=O)OCC(=O)c1cc(C)c(C)cc1C,CID2128859,,,,,,,,,,,,,,,,0.0,
CCOc1ccc(OCC)c(NC(=O)CSCC(=O)O)c1,CID652571,,,,0.0,,,,,0.0,,,,,,,,
COCCCNC(CC(=O)Nc1ccccc1C(=O)OC)C(=O)O,CID2957413,,,,,0.0,,,,,,,,,,,,
CSc1ccc(NC(N)=S)cc1,CID1471597,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)CCC(=O)O)c(C)c1,CID287624,,,,,,,,,,,,,,0.0,,,
CCOC(=O)/C(C#N)=C/c1ccc(OC)c(OC)c1,CID720893,,,,,,,,,0.0,,,,,,0.0,,
NC(=O)CSc1ccc(Br)cc1,CID2201612,,,,,,,,,0.0,,,,,,,,
COC(=O)c1ccccc1S(=O)(=O)C(C)(C)C,CID804109,,,,,,,,,0.0,,,,,,0.0,,
CSCCC(NC(=O)NCc1ccccc1F)C(=O)O,CID664357,,,,,,,0.0,,,0.0,,,,,,,
CCOC(=O)NC(=O)COC(=O)Cc1cc(OC)c(OC)c(OC)c1,CID2079478,,,,,,,,,,0.0,,,,,0.0,,
CC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1cccc(C)c1,CID4607819,,,,,,,,0.0,,,,,,,,,
CCOCCCNCc1ccc(Cl)cc1,CID4550247,,,,,,,,,,,,,,,0.0,,
CCCCCc1ccc(CC(=O)O)cc1,CID2840098,,,0.0,,,0.0,0.0,,,,,,0.0,,,,
CCOc1ccc(C(C)NC(=O)CCC(=O)O)cc1,CID2930751,,,,,,,,0.0,,0.0,,,0.0,,,0.0,
CCOC(=O)CC(=O)Nc1ccc(C)cc1,CID155874,,,,,,0.0,,,,,,,,,,,
O=C(O)CNC(=O)c1ccccc1F,CID679228,,,0.0,,,,,0.0,,,,,,,,,0.0
COc1ccccc1OCC(=O)O,CID15882,,,,,,0.0,,0.0,,,0.0,,,,,,
CCCCc1cc(O)c(CCCC)c(O)c1,CID651512,,,,,,,,0.0,,0.0,,,,,,,
C=CCOc1ccccc1/C=N/O,CID659181,,,,,,,0.0,0.0,,,,,,,,0.0,
CC(C)Oc1ccc(Br)cc1/C=N/NC(N)=S,CID840654,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C(Cc1ccccc1)NC(=O)CNC(C)=O,CID655982,,,,,,0.0,0.0,,,,,,0.0,,,,
Nc1ccccc1C#CCCCCO,CID5459424,,,,,,,,,,,,,,0.0,,,
COC(=O)CNC(=O)COC(=O)Cc1ccc(Cl)cc1,CID2408139,,,,,,,,,,,,,,0.0,,,
COC(=O)C(C)NC(=O)C(C)NC(=O)OCc1ccccc1,CID588033,,,,0.0,,,,0.0,,0.0,,,0.0,,,,
CNCC(O)COc1cccc(OC)c1,CID3107873,,,,,,,,,,,,,,0.0,,,
CCOc1ccccc1OCC(O)CNC,CID2848952,,,,0.0,0.0,,,0.0,,,,,,,,,0.0
CCOc1ccc(NC(N)=O)cc1OCC,CID2125358,,,,,,,,,,,,0.0,,,,,
Cc1cc(Cl)ccc1OCCCC(=O)NO,CID568416,0.0,0.0,,0.0,,,,,0.0,0.0,,,,,,0.0,
Cc1cccc(NC(=O)CCC(=O)NCCO)c1,CID1886508,,,,,,,,,,,,0.0,,,,,
CCN(CC)C(=O)Nc1ccccc1C,CID236228,,,,,,,,,,,0.0,,,,,,
O=C(O)CCSCc1ccccc1F,CID3239663,,,,,,,,,,0.0,,,,,,,
CC(=O)NCC(=O)OCC(=O)Nc1ccc(C(C)=O)cc1,CID2418751,,,0.0,,,,,0.0,,,,,,,,,
COc1ccccc1NC(=O)CCC(=O)O,CID693069,,,,,,,,,,,,,,,,0.0,
COC(=O)C(NC(=O)NCc1cccc(OC)c1)C(C)C,CID663545,0.0,,0.0,,,,,,,0.0,,,0.0,,,0.0,
CCOc1ccccc1NS(=O)(=O)N(C)C,CID670172,,,,,,0.0,,,,,,,,,,,
CC(=O)NCCOc1cccc(OCCNC(C)=O)c1,CID2292467,,,,,0.0,,,,,,,,,,,0.0,
CC(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-],CID3124560,,,,,,,,,0.0,,,,,,,,
CCOCCCNC(=O)c1ccc(OC)cc1,CID2179508,,,,0.0,,,,0.0,,0.0,,,,,,,0.0
CCC(=O)Nc1ccc(SC#N)cc1C,CID1227256,,,,,,,,,,,,,,,0.0,,
C=CC/N=C(\NC#N)SCc1ccccc1,CID5100562,,,,,,0.0,,,,,,,,,,,
CCOc1ccccc1N/C=C/C(=O)C(C)(C)C,CID2186745,,,,,,,0.0,0.0,,,0.0,,,0.0,,0.0,
Cc1ccc(C)c(OCCCC(=O)O)c1,CID1568418,,,,,,,,0.0,0.0,,0.0,,0.0,,,0.0,0.0
CCC(C)(C)C(=O)NCc1ccccc1Cl,CID2206644,0.0,,,,,,,,,,,,,,,,
CCOc1cc(S(=O)(=O)N(CC)CC)ccc1Br,CID850071,,,,,,,0.0,,0.0,,,,,0.0,,,0.0
COC(=O)c1cccc(OC)c1[N+](=O)[O-],CID79195,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC(=O)C(F)(F)F)cc1OC,CID886009,,,,,,,,,0.0,,,,,,,,
CC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1ccccc1Cl,CID3244138,,,,,,,,,,,,,,,,,0.0
CCCCCOC(=O)NCCOC(=O)Nc1ccc(C(=O)OCC)cc1,CID3245666,,,,,,0.0,,0.0,,,,,0.0,,,,
C/C(CC(O)(/C=N/O)c1ccccc1)=N\O,CID382416,,,,0.0,,,0.0,0.0,,,,,0.0,,,,
C=CCNS(=O)(=O)c1ccc(OC)c(C)c1,CID1750779,,,,0.0,0.0,,,,,,,,,,,,
COCCNC(=O)COc1ccccc1Cl,CID2869367,,,,,,,,,,,,,,0.0,,,
CNS(=O)(=O)c1cc(OC)ccc1OC,CID768903,,,,,0.0,,,,,,,,,,,,
C=CCc1ccc(OCCOCCNCCOC)c(OC)c1,CID2869943,,,,,,,,0.0,,,,,,,,0.0,0.0
COc1ccc(Cl)cc1C(=O)NCC#N,CID2271390,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC(=O)CC(O)(C(F)(F)F)C(F)(F)F)cc1,CID842594,,,,,,,,,0.0,,,,,,,,
COc1ccc(S(=O)(=O)NCCSC(C)(C)C)cc1,CID2271711,,,,,,,,,,0.0,,,,,0.0,,
COc1ccc(C(=O)O)cc1F,CID2733401,,,,,,,0.0,0.0,,,,0.0,,,,,
COc1ccc(C)cc1S(=O)(=O)N(C)CC(N)=O,CID1263723,,,0.0,,,,0.0,,,,,,,,,,
COC(=O)c1ccccc1NC(=O)C(CCS(C)(=O)=O)NC(C)=O,CID3240090,,,,0.0,,,,,,,0.0,,,,,,
CCOc1ccc(NC(C)=O)cc1[N+](=O)[O-],CID15685,,,,,,,,,,,,,,,0.0,,
CC(C)(C)NC(=O)COC(=O)c1cc(F)c(F)cc1Cl,CID2435802,,,,,,,,,,,,,,0.0,,,
COc1ccc(C)cc1NC(=O)CC(O)(C(F)(F)F)C(F)(F)F,CID823256,,,,,,,,,0.0,,,,,,,,
COc1cc(OC)c(C=O)c(OC(=O)N(C)C)c1,CID973791,,,,,,,,,,,,,,0.0,,,
CCOc1ccccc1NC(=O)CC(O)(C(F)(F)F)C(F)(F)F,CID823259,,,,,,,,,0.0,,,,,,,,
Cc1ccccc1NC(=O)N(C(C)C)C(C)C,CID778923,,,,,,,,,,,,,,0.0,,,
COc1cc(CNC(=O)OCC(C)C)cc(OC)c1OC,CID706120,0.0,0.0,0.0,0.0,,,,,,,,,,,,,
CCNC(=O)NC(=O)C(C)SCc1ccccc1C,CID2999687,,,,0.0,0.0,,,,,,,,0.0,,,,
CC(=O)NC(Cc1ccccc1)C(=O)O,CID2000,,,,,,,,,,0.0,0.0,,0.0,,,0.0,
COCCNC(=S)c1ccc(Br)cc1,CID2239591,,,,,,,,,,,,,,0.0,,,
CN(C)CCCOC(=O)c1ccc(Br)cc1,CID2249179,0.0,,,,,,,,,,,,,,,0.0,0.0
COc1cc(C(=O)O)ccc1OC(C)=O,CID66346,,,,,,0.0,,,,,,,,,0.0,,
CCOCCCNC(=O)NC(Cc1ccccc1)C(=O)OC,CID661939,,,,,,,,0.0,,0.0,,,0.0,,,,
CC(=O)Nc1cccc(Cl)c1C(=O)O,CID88044,,0.0,,0.0,,,,,,,,,,,,,0.0
COC(=O)C(C)NC(=O)Nc1ccc(OC(F)(F)F)cc1,CID664851,,,,0.0,,,,,0.0,,,,,,,,
O=C(O)/C=C/C(=O)Nc1ccc(OC(F)F)cc1,CID702461,,,,,,,,,,,,,,,0.0,,
CCOCC(=O)Nc1cc(OC)c(Cl)cc1OC,CID2198447,,,,,,,,,,0.0,,,0.0,0.0,,,0.0
CCC(C)COC(=O)c1ccc(C(=O)O)cc1,CID3241259,,,,,,0.0,,,0.0,,,,0.0,,,,
CCN(CC(N)=O)S(=O)(=O)c1ccc(Br)cc1,CID1250409,,,,,,,,,0.0,,,,,,,0.0,
C/C=C/C(=O)Nc1ccccc1Br,CID791359,,,,,,,,,,,,0.0,,,,,
CCCCNC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O,CID1750608,,,,,,,,,0.0,,,,,0.0,,,
Cc1ccc(C)c(C(=O)NCCN(C)C)c1,CID925438,,,,0.0,,,0.0,,,,,,,,,0.0,
CCN(CC)S(=O)(=O)c1cc(Br)c(C)cc1OC,CID2980821,,,,,,,,,0.0,,,,,,0.0,,
Cc1ccc(SCCC(=O)N(C)C)cc1,CID893856,,,,,0.0,,,,,,,,0.0,,,,
O=C(NC(=O)c1ccccc1)OCC(F)(F)F,CID2297774,,,,0.0,,,,,,,,,,,,,0.0
CCOCCCNC(=O)C(C)NS(=O)(=O)c1ccc(C)cc1,CID2954872,,,0.0,0.0,,,0.0,,,,,,,,,,
CCN(CC)C(=S)SCCC(=O)NC(=O)Oc1ccccc1,CID2282513,,,,,,,,,,,,,,,0.0,,
CCOC(=O)CCCNC(=O)COC(=O)c1cccc(C)c1O,CID2407873,,,,,0.0,,,,,,0.0,,,,,,
CCCCC(NS(=O)(=O)c1ccc(OC)cc1)C(=O)O,CID2907798,,0.0,,,,,0.0,0.0,0.0,,,,,,,0.0,
CCOC(=O)COc1ccc(N)cc1CC(NC(C)=O)(C(=O)OCC)C(=O)OCC,CID2857066,,,,,,,,,,0.0,0.0,,,,,0.0,
COc1ccc(Cl)cc1NC(=O)/C=C\C(=O)O,CID1622404,,,,,,,,,,0.0,,,,0.0,,,
CC(C)NC(=O)COC(=O)c1cc(F)c(F)cc1Cl,CID2419240,,,,,,,,,,,,0.0,,,,,
CCN(CC)Cc1cc(C(C)=O)ccc1OCC(C)C,CID663258,,,,,,0.0,,,,,,,,,,,
NC(=O)c1cccc(N)c1,CID1645,,,,,,,,0.0,,,,,,,,,
CCOC(=O)C(CSCC(=O)c1ccc(Br)cc1)NC(=O)OC(C)(C)C,CID2765873,,,,,,,,,0.0,,,,,,,,
CCOC(=O)Nc1ccc(C(N)=O)cc1,CID717670,,,,0.0,0.0,,0.0,0.0,,,,,,,,,
CCNS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1,CID2230316,,,,,,,,,,0.0,,,,,,,
CC(=O)Oc1ccc(CCC(C)OC(C)=O)cc1,CID238285,,,,,,,,0.0,,,0.0,,,,,,
Cc1ccc(Cl)cc1NC(=O)CC(O)(C(F)(F)F)C(F)(F)F,CID2216782,,,,,,,,,0.0,,,,,,,,
CCOC(=O)CC(=O)c1cc(OC)c(OC)c(OC)c1,CID76443,,,,,,,,,,,,,,0.0,,,
CCCC(=O)Nc1ccccc1NC(=O)CCC,CID729992,,,,0.0,,,0.0,,,,,,0.0,0.0,,0.0,
CNC(C)c1cc(OC)ccc1OC,CID4450650,,,,,,0.0,,,,,,,,,0.0,,
CCOCCCNC(=O)Cc1ccc(OC)c(OC)c1,CID2163056,,,0.0,0.0,,,,0.0,,,,,0.0,,,0.0,
CCCCOCCCNC(=O)c1cccc(OC)c1,CID2164027,,,,,,,,,,,,,,0.0,,,
CCN(CC)c1ccc(NC(=O)C(C)C)cc1,CID732301,,0.0,,,,,,,,,,,0.0,,,0.0,
COc1ccc(NC(=O)CCCC(=O)OCC(F)(F)C(F)F)cc1,CID2854256,,,,,,,,,0.0,,,,,,,,
Cc1cc(Cl)cc(C)c1OCC(=O)O,CID2424049,,,,,,,,,,0.0,,,,,,,
CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1,CID2480,,,,,,,,0.0,,,,,,0.0,,,
Nc1cc(S(=O)(=O)C(F)(F)F)ccc1C(=O)O,CID661359,,,,,,,0.0,,,,,,,,,,
COC(=O)CCC(=O)COc1ccccc1C#N,CID661351,,,,,,0.0,,,,,,,0.0,,,,
CC(=O)NS(=O)(=O)c1ccccc1,CID138554,,,0.0,,,,,,,,,,,,0.0,,
CCC(CC)C(=O)NCCc1ccc(S(N)(=O)=O)cc1,CID889524,,0.0,0.0,,,,,,,,,,,,,,
CCOC(=O)N(CC)c1ccc(C(O)(C(=O)OCC)C(F)(F)F)cc1,CID2829560,,,,,,,,,,,,,,,,,0.0
CCOC(=O)C(O)(c1ccc(N(CC)C(=O)OC)cc1)C(F)(F)F,CID2829561,,,,,,,,,0.0,,,,,,,,0.0
COc1cc(/C=C/[N+](=O)[O-])ccc1O,CID638439,,,,,,,,,,,,,,,0.0,,
CCCCC(=O)Nc1ccccc1C#N,CID2295226,,,,0.0,,,,0.0,,,,,,,,0.0,
NC(=O)CCS(=O)(=O)c1ccccc1,CID853565,,,,,0.0,,0.0,,,,,,0.0,,,,
COc1ccc(S(=O)(=O)NC(C(=O)O)C(C)C)cc1,CID1133587,,,,,,,0.0,,,,,,0.0,,,,
O=C(O)/C=C\C(=O)NCc1ccccc1,CID1549764,,,,,,,,,,,,,,0.0,,,
Cc1ccc(N)c(C(=O)CCCCC(=O)O)c1,CID1713356,,,,0.0,,,,0.0,,,,,,,,0.0,
C=CCOc1ccc(Cl)cc1C(=O)O,CID1843886,,,,,,,,,,0.0,,,,0.0,,,0.0
Cc1ccc(S(=O)(=O)CC(=O)N(C)C)cc1,CID975418,,,,,,,0.0,,0.0,,,,,,,,
CCCCCN(C(=O)NC(=O)Nc1ccccc1C)S(C)(=O)=O,CID2328413,,,,0.0,,,,,,,,,,,0.0,,
CC(C)CN(CC(C)C)C(=O)CS(=O)(=O)Cc1ccccc1,CID2218678,,,,,,,0.0,,0.0,,,,0.0,,,,0.0
CCCCOc1ccc(C(=O)NNC(=S)NC(=O)CC)cc1,CID1728273,,,,,,,,,,,,,,0.0,,,
CCCOc1ccc(C(=O)NNC(=S)NC(=O)CC)cc1,CID1728272,,,,,,,,,,,,0.0,,0.0,,,
COCCCNC(=O)CN(Cc1ccc(Cl)cc1)S(C)(=O)=O,CID2228009,,,,0.0,,,,,,,,,0.0,,,,0.0
COc1ccc(S(=O)(=O)CCC(=O)O)cc1,CID3238384,,,,,,,,,0.0,,,,0.0,,,,
CCOC(=O)C(NS(=O)(=O)c1ccc(Br)cc1)C(C)C,CID3238125,,,,,,,,,,,,,,,,0.0,0.0
COCCNC(=O)CN(c1ccccc1OC)S(C)(=O)=O,CID2911693,,,,0.0,,,,0.0,,,,,,,,,
CN(C)C(=S)NCc1ccccc1,CID855080,,,,,,,,,,,0.0,0.0,,,,,
CCN(CC)CCOc1ccc(Br)cc1,CID423953,0.0,,,,,,,,,,,0.0,,,,,0.0
CC(C)=CCC/C(C)=C/C=N/NC(=O)c1ccccc1[N+](=O)[O-],CID1788295,,,,,,0.0,,,,,,,,,,,
COc1cc(C=C(C(C)=O)C(C)=O)ccc1O,CID294770,,,,,,,,,,,0.0,,,0.0,,,
CCNC(=O)NC(=O)CSc1ccc(NC(C)=O)cc1,CID2086686,,0.0,,,,,,0.0,,,,,,,,,0.0
COc1ccc(C(C)=O)cc1CSCC(=O)O,CID2446594,,,,,,,,,,,,,,0.0,,,
CCCCN(CCCC)Cc1ccc(N)cc1,CID1891813,,,,,,,,0.0,,0.0,,,,,,,0.0
CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NCCC(C)C)c1,CID3238277,,,,,,,,,,,0.0,,,,,,
CCOC(=O)CCCNC(=O)COc1ccccc1C#N,CID2565377,,,,,,,,0.0,,0.0,,,0.0,0.0,,,
Nc1cc(N)c(OCC(F)(F)F)cc1OCC(F)(F)F,CID659503,,,,,,,,,0.0,,,,,,,,
COc1ccc(Cl)cc1C(=O)NCCN(C)C,CID2197671,,,,,,,,,,0.0,,,,,,,
COC(=O)C(CCSC)NC(=O)Nc1ccc(C(C)=O)cc1,CID663754,,,,,,,,0.0,0.0,,,,,,,0.0,
CC(C)C(NC(=O)NCCc1ccc(Cl)cc1)C(=O)O,CID663756,0.0,,,,,,0.0,,,0.0,,,,,,0.0,
CCCCNC(=O)OCCNC(=O)Oc1cccc(C)c1,CID3115334,0.0,,,0.0,,,0.0,,,,,,,,,0.0,
CCC(C)C(NC(=O)NCc1ccc(Cl)cc1)C(=O)OC,CID664403,0.0,,,0.0,,,0.0,,,0.0,,0.0,,,,,
CCOCCN(C=O)c1cccc(OC)c1,CID667180,,,,0.0,,,,,,,,,,0.0,,,
CN(C)CCCNC(=O)/C=C/c1ccc(C(C)(C)C)cc1,CID2145859,,,,,,0.0,,,,,,,,,,,
CC(C)CC(=O)NCCNC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F,CID3307859,,,,,,,,,0.0,,,,,,,,
COC(=O)C(C)NC(=O)Nc1ccc(OC)c(OC)c1,CID5389844,,,0.0,,,,,,,,,0.0,,,,,
CC(O)c1cccc(NC(=O)CCC(=O)O)c1,CID2912856,,,,,,,,,,0.0,,,,,,0.0,
CC(NC(N)=O)C(=O)OCC(=O)Nc1c(C(C)C)cccc1C(C)C,CID2112511,,,,,,,,,,,,,,,0.0,,
CC(C)COc1ccccc1C(=O)NC(CO)C(=O)O,CID3102731,,,,,,,,,,0.0,,,,,,,
CCOC(=O)C(C)(C)NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1,CID4074670,,,,,,,,,,,,,,,0.0,,
COc1ccccc1OCCC(=O)O,CID776001,,,,,,,,,,,,,,0.0,,,
O=C(O)CCCCCNC(=O)c1cccc(Br)c1,CID1722691,0.0,,,,,,,,,,0.0,,,,,0.0,
CC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1ccc(F)cc1Cl,CID3239445,,,,,,,,,,,,,0.0,,,,
O=C(O)CCCNS(=O)(=O)c1ccccc1,CID362741,,,,,,,,,0.0,,,,,,,,
COc1ccccc1N(CC(=O)NCCSC(C)(C)C)S(C)(=O)=O,CID2289798,,,,,0.0,,0.0,,,0.0,,,,,0.0,,
Cc1cccc(C(=O)NNC(=O)/C=C/C(=O)O)c1,CID2245910,,,,,,,,,,,,,,,0.0,,
CCC(C)C(NC(=O)Nc1cccc(OC)c1)C(=O)OC,CID663653,,,,,,,,,,,,,,,,0.0,
CCC(NC(=O)Nc1ccc(O)cc1)(C(F)(F)F)C(F)(F)F,CID660323,,,,,,,,,0.0,,,,,,,,0.0
COCCNS(=O)(=O)c1cc(Br)ccc1OC,CID1587715,,,,,,,,,0.0,,,,,,,,
CC(C)(C)SCCNC(=O)c1ccc(NS(C)(=O)=O)cc1,CID2228738,,,,,,,0.0,,,,,,,,,,
O=CNC(=O)c1ccccc1C(=O)O,CID659130,,,,,,,0.0,,,,,,,,,,
C/C(Nc1cccc(F)c1)=C(/C#N)C(N)=O,CID659137,,,,0.0,,,,0.0,,,,0.0,,,,0.0,
CCCCCOc1ccc(NS(C)(=O)=O)cc1,CID645056,,,,0.0,0.0,,0.0,,,,,,,,,,
COc1ccccc1NC(=S)NC(=O)CC(C)C,CID823826,,,,,,,,,,,,,,0.0,,,
COC(=O)CSc1cc(SCC(=O)OC)c(C#N)c(SCC(=O)OC)c1,CID3242625,,,,,0.0,,,,0.0,,,,,,,,
CC(=O)NC(=S)NNC(=O)CCc1ccccc1,CID2062636,,,,,,,,,,,,,,0.0,,,
COC(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O,CID846865,,,0.0,,,,,,0.0,,,,,,0.0,0.0,
CCN(CC)CCOCCOc1cc(C)c(Cl)c(C)c1,CID2246186,,,,,,,,,,0.0,,,,,,,
COCC(C)NC(=O)c1ccccc1OC(C)=O,CID2905306,,,,,,,,0.0,,,,,0.0,,,0.0,
CC(C)CNC(=O)COc1ccccc1[N+](=O)[O-],CID2500401,,,,,,,,,,,,,,,0.0,,
CCCCc1ccc(NC(=O)CC(C)=O)cc1,CID2056395,,,,,,,0.0,,,,,,,,,0.0,
CNC(=O)CC(=O)Nc1ccccc1C(=O)O,CID914695,,,,,,0.0,,,,,,,,,,,
C/N=C(\NC#N)SCC(=O)c1ccc(Cl)cc1Cl,CID659589,,,,,,,,,,0.0,,,,,,,
Cc1ccc(CS(=O)(=O)CCC(=O)NCCC(C)C)cc1,CID4134924,,,,,,0.0,,,,,,,,,,,
COCCCNC(CC(=O)Nc1ccc(N(C)C)cc1)C(=O)O,CID3241091,,,0.0,,,,,0.0,,,,,,,,,
COC(=O)C(CC(C)C)NC(=O)c1ccc([N+](=O)[O-])c(C)c1,CID2914519,,,,,,0.0,,,,,,,,,0.0,,
CC(=O)/C([N+]#N)=C(\[O-])NCc1ccccc1,CID5389018,,0.0,,,,,,0.0,,,,,,,,,
CC(C)(C)c1ccc(/C([O-])=C/[N+]#N)cc1,CID5389012,,0.0,0.0,0.0,,,0.0,,,,0.0,,,,,,
COC(=O)C(C)(C(=O)OC)c1ccccc1[N+](=O)[O-],CID3724075,,,,,,,,,,0.0,,,,,,,
CCOC(=O)/C(C#N)=C/Nc1ccccc1OC,CID3125195,,,,,,,,,,,,0.0,,,,,
O=C(O)CCNC(=O)c1ccccc1,CID71651,,,,,,,,,,,,,,,,0.0,
CCOC(=O)CCCNC(=O)CCNC(=O)c1ccc(OCC)cc1,CID2847933,,,0.0,0.0,,,0.0,,,,0.0,,,,,,
CCOc1cc(/C=N/O)cc(Br)c1OCC,CID1225563,,,,,,,,,,,,0.0,,,,,
CCc1ccccc1OCCCCCNCCO,CID2250732,,,0.0,0.0,,,0.0,,,0.0,0.0,,,,,,0.0
CC(NS(=O)(=O)c1ccccc1)C(N)=O,CID227268,,0.0,,0.0,,,,,,,,,,,,,
CC(=O)Nc1ccccc1C(=O)C(=O)O,CID1714907,,,,,,0.0,,,,,,,,,,,
COc1ccccc1OCCCCCNCCO,CID2249348,,0.0,,,0.0,,,,,0.0,0.0,,,,,,
CCCCC(=O)Nc1ccc(C(N)=O)cc1,CID2164301,,,0.0,0.0,,,0.0,,,0.0,,0.0,,,,,
CS(=O)(=O)N(CC(N)=O)c1cccc(Br)c1,CID846637,,,,,,,,,0.0,,,,,0.0,,,
CCCNS(=O)(=O)c1ccc(OCC(=O)OC)cc1,CID2194383,,,,,,,,,0.0,,,,,,,,
COc1cc(CNC(=O)CCCCCCC(C)C)ccc1O,CID107982,,,,,,,,0.0,,,,,,,,,
CCN(CC)C(=O)C(=O)N/N=C/c1cccc(Br)c1,CID2244402,,,,,,,,,,,,,,,0.0,,
CCCCNS(=O)(=O)c1ccc(OC)c(C)c1,CID1729061,,,,,,,,,,,,,,,0.0,,
CC(C)(C)c1cc(OS(C)(=O)=O)ccc1O,CID1729066,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(N)=O)cc1N,CID87135,,,,,0.0,,0.0,0.0,,,,0.0,,,,,
CCCOc1ccc(C(C)=O)cc1CSCCC#N,CID660639,,,0.0,,,,0.0,,,,,,,,,,0.0
CCc1ccc(N(CC(=O)NC)S(C)(=O)=O)cc1,CID892680,,,0.0,,,,0.0,,,,,,,,,,0.0
COC(=O)CCS(=O)(=O)c1ccc(Cl)c(Cl)c1,CID547830,,,,,,,,,0.0,,,0.0,,,,,
CCNC(=O)COC(=O)COc1ccc(Cl)cc1C,CID2435782,,,,0.0,,,,,,0.0,,,,0.0,,,
COC(=O)NNC(=O)c1ccccc1C,CID730654,,,,,,,,,,,,,,0.0,,,
CN(c1ccc(C(=O)NCCSC(C)(C)C)cc1)S(C)(=O)=O,CID2197733,,,0.0,,,,,,,,,,,,,,
CCOc1ccccc1C(=O)NCCCCCC(=O)O,CID658476,,,,,,,,0.0,,,,,,,,,
CC(=O)N(CCCc1ccc(C(C)(C)C)cc1)CCCN(C)C,CID1943682,,,,,,,,0.0,,,0.0,,,,,,
CC(C)CNC(=O)CCCc1ccccc1,CID2906742,,,,,,,,,,0.0,,,,,,,
C=CCN(CC=C)C(=S)Nc1ccc(OC)c(OC)c1,CID971728,,,,,,,,,,,,,,,0.0,,
Cc1ccc(SCC(=O)NCC(C)C)cc1,CID846730,,,,0.0,0.0,0.0,0.0,,,,,,,,,,
CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1,CID2998,,,,,,,,0.0,,,,,,,,,
Cc1cccc(C(=O)NNC(=O)C(=O)NC(C)(C)C)c1,CID576735,,,,,,,,,,,,0.0,,,,,
CCOC(=S)N/C(=N/S(C)(=O)=O)c1ccccc1,CID5656127,,,,,,0.0,,,,,,,,,,,
COC(=O)C(NC(=O)c1ccccc1)=C(C)C,CID657545,,,,,,,,,,0.0,,,,,,,
COC(=O)CCC(=O)Nc1c(C)cc(C)cc1C,CID585183,,,,,,0.0,,,,,,,,,,,
COC(=O)Nc1ccc(NC(C)=O)cc1,CID750774,,,,0.0,,,,,,,,,,,,,
Cc1cccc(NCCC#N)c1,CID119683,,,,,,,,,,,,,,,0.0,,
C=CC(=O)NC(NC(=O)C=C)c1ccc(Br)cc1,CID2526911,,,,,,,,,,,,0.0,,,,,
CC(=O)c1ccc(O)c(CO)c1,CID659427,,,,,0.0,,,0.0,,,,,,,0.0,,
CCCCc1c(C(=O)O)cc(OC)cc1C(=O)O,CID1779245,,,0.0,,,,,,,,,,,,,,
N#C/C(=C/Nc1cc(C(F)(F)F)ccc1Cl)C(N)=S,CID1894676,,,,,,,,,,,,0.0,,,,,
CCOCCCNC(=O)c1ccc(OC(C)=O)cc1,CID2180086,,,,,,,,,,0.0,,,0.0,,,0.0,
CCOCCCNC(=O)CSc1ccccc1,CID2180085,,,,,0.0,,,,,,0.0,,,,,,
O=C(NCCO)Nc1ccc(Cl)cc1,CID2235745,,,,,,,,,,,,,,,0.0,,
C=CCNC(=O)c1ccc(C)c(Br)c1,CID2982332,,,,,,,0.0,,,,,0.0,,,,0.0,0.0
CCOC(=O)c1ccc(NC(=O)CCC(=O)OC)cc1,CID721946,,,,,,,,,,,,,,,,0.0,
C=CCNC(=O)NC(=O)COC(=O)COc1ccc(Br)cc1F,CID2998622,0.0,,,,,,,,,,,,,,,0.0,
CCCNC(=O)c1cccc(C(F)(F)F)c1,CID2767296,,,,,,,,,,,,0.0,,,,,
CCCCS(=O)CC(O)COc1ccc(C(C)(C)C)cc1,CID2843263,,,,0.0,,,0.0,,,0.0,0.0,,,,,,
CC(=O)NNC(=S)Nc1cc(S(=O)(=O)N(C)C)ccc1C,CID4184243,,,,,,,,,,,,,,,0.0,,
CCN(CC)CC(=O)Nc1c(C)cccc1C,CID3676,,0.0,,0.0,,,0.0,,,,,,,0.0,,,
CC(C)Cc1ccc(C(C)C(=O)O)cc1,CID3672,,,,,,,,0.0,,,,,0.0,,,,
CCC(C)C(NC(=O)NCc1cccc(OC)c1)C(=O)OC,CID664917,,,,0.0,,,,0.0,,,,,,,,,0.0
COC(=O)Nc1ccc(/N=C(\N)N[N+](=O)[O-])cc1,CID4144717,,,,,,,,,,,,,,,0.0,,
COC(=O)C(C)(C)ONC(=O)Nc1ccccc1[N+](=O)[O-],CID5118849,,,,,,,,,,,,,,,0.0,,
CCCOc1c(Br)cc(C(=O)NCC)cc1OC,CID2224385,0.0,,,,,,0.0,,,,,,,0.0,,,0.0
CC(C)(C)SCCNC(=O)CSc1ccccc1,CID4339369,,,0.0,,,,,,,,,,,,,,
CCOC(=O)CNC(=O)C(CO)NC(=O)OCc1ccccc1,CID658436,,,,,0.0,,,,,0.0,,,,,,,
CCOCCN(C(=O)COC)c1cccc(OC)c1,CID658435,,0.0,0.0,,,,,,,,0.0,,,,,,
CCOC(=O)/N=C(/NC(=O)Nc1ccc(C(=O)OCC)cc1)OC,CID658434,,,,,,,0.0,,,,0.0,,,,,,
CCC(CC)C(=O)Nc1cc(NC(=O)C(CC)CC)cc(C(=O)O)c1,CID976486,,,0.0,0.0,,,,0.0,,,,,,,,,
Cc1ccc(SCCNC(=O)C(CO)(CO)CO)cc1,CID2293901,,0.0,,,0.0,,,,,,,,,,,,
CC(NS(=O)(=O)c1ccc(Br)cc1)C(N)=O,CID2957104,0.0,,,,,,,,,,,,,,,,
C=CCN(c1ccc(C(=O)N(CC)CC)cc1)S(C)(=O)=O,CID848446,,,,,,,,,,,,0.0,,,,,
O=C(NO)c1ccc(OC(F)F)cc1,CID3239185,,,,0.0,,,,,,,,,,,,,
CCOc1ccc(Br)cc1CC(=O)O,CID660946,0.0,,,,,,,,,,,0.0,,,,,0.0
CC(=O)NCCNC(=O)CCNC(=O)c1ccc(Cl)cc1,CID2454929,,,,,,,,,,,,,,,0.0,,
COc1c(C)cc(Br)cc1C(=O)O,CID961919,,,,,,,,,,,,0.0,,,,,
CCCCC(=O)Nc1c(C)cc(C)cc1Cl,CID1568281,,,,,,,,,,0.0,,,,,,,
CC(C)N(C(C)C)S(=NS(=O)(=O)c1ccccc1)N(C(C)C)C(C)C,CID2830960,,,,,,0.0,0.0,,,,,,,,,,
CCOc1ccc(C(=O)COC(C)=O)cc1,CID789316,,,,,,0.0,,,,,,,,0.0,,,
CCN(CC)C(=O)Oc1ccccc1NC(C)=O,CID735617,,,,,,,,,,,,,,,,0.0,
CC(C)OC(=O)C(CC(=O)O)NCc1ccccc1,CID661704,,,,0.0,0.0,,,0.0,,,,,,,,,
CCOCCCNS(=O)(=O)c1ccc(Br)cc1,CID2179242,,,,,,,,,0.0,,,,,,,0.0,
CC(C)CNC(=O)CO/N=C/c1ccccc1Cl,CID2111871,,,,,,,,,,,,,,,0.0,,
COCc1c(C)cc(C)c(/C=N/O)c1C,CID678473,,,,,,,,0.0,,,,,,,,0.0,
CCOC(=O)CNC(=O)COc1ccc(Cl)cc1Br,CID2224813,,,,,,,,,,,,,,,,,0.0
CC(C)CC(NC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)O,CID663892,,,,,,,,,,,,,,,,,0.0
CC(C)COC(=O)Nc1ccc(C(=O)O)cc1,CID911093,,,,,,0.0,,,,,,,,,,,
COc1ccccc1CC(=O)N(CCC#N)CCC#N,CID2206100,,,0.0,,,,,,,,0.0,,,,,,
CCOC(=O)c1ccc(NC(=O)C(CC)(CC)C(=O)OCC)cc1,CID657707,,,,,,,,,,,0.0,,0.0,,,,
Cc1ccccc1CSCCNS(C)(=O)=O,CID2177614,,,,,,0.0,,,,0.0,,,,0.0,,,
CCC(C)NC(=O)c1c(F)c(F)c(F)c(F)c1F,CID607087,,,,,,,,,0.0,,,,,,,,
CCC(C)C(NCc1cccc(C)c1)C(=O)O,CID3235992,,,,,,,,,,,,,0.0,,,,0.0
COCCNCC#CCOc1ccc(OC)cc1,CID2194708,,,,0.0,,,,,,0.0,,,,,,,
CCCCCOC(=O)c1ccccc1C(=O)O,CID90531,,,,,,,,0.0,0.0,,,,,,,,
CCOC(=O)Nc1cc(C)ccc1OC,CID731635,,,,0.0,,,,,,,,,,0.0,,,
CC(C)CNC(=O)c1cccc(C(=O)NCC(C)C)c1,CID2164536,,,,0.0,,,0.0,,,,,,,,,,
Cc1ccc(NC(=O)C(=O)NCCCOC(C)C)c(C)c1,CID2273353,,,,,,0.0,,,,,,,,,,,
CC(=O)c1cccc(NS(=O)(=O)N(C)C)c1,CID1239358,,,,0.0,0.0,,0.0,0.0,,,,,,0.0,,,
COC(=O)CN(c1cccc(OC)c1)S(C)(=O)=O,CID647661,,,,,,,,,0.0,,,,,,,,0.0
CCOC(=O)/C(=N\C(C)(C)C)NNc1cc(Cl)ccc1Cl,CID2319979,,,,,,,,,,,,,,0.0,,,
CC(NC(=O)Nc1ccccc1O)(C(F)(F)F)C(F)(F)F,CID921347,,,,,,,,,,,,,,,,,0.0
COCC(C)NC(=O)Cc1ccc(Cl)cc1,CID2904073,,,,,,,,,,,,,,0.0,,,
Cc1c(Br)cc(C(=O)O)c(C)c1C,CID853514,,,,,,,,,,,,0.0,,,,,
COC(=O)c1ccccc1NC(=S)NC(=O)CC(C)C,CID1789264,,,,,,0.0,,,,,,,,,,,
O=CNCC(=O)NCCc1ccc(Cl)cc1,CID3244484,0.0,0.0,,,,,,,,,,,,,,0.0,
CN(C)CCNC(=O)c1ccc(COCC(F)(F)F)cc1,CID892638,,,,,,,,,0.0,,,,,,,,0.0
CCNC(=O)COc1cc(C)c(Cl)c(C)c1,CID808117,,,,,,,,,,0.0,,,,0.0,,,
Cc1cc(OCC(=O)NC(C)C)cc(C)c1Cl,CID808118,,,,,,,,,,0.0,,,,,0.0,,
C#CCOC(=O)CCCC(=O)Nc1ccccc1OC,CID2255916,0.0,,,0.0,,0.0,,,,,,,,,,0.0,
O=C(O)CCS(=O)(=O)Cc1ccccc1Cl,CID3454543,,,,,,,,,,0.0,,,,,0.0,,
CCC(=O)Nc1cc(OC)ccc1OC,CID730454,,,,,,0.0,,,,,,,,,,,
CC(C)c1ccc(OC(=O)NCCO)cc1,CID2192628,,,,,,,,,,,,,,,,0.0,
COc1cc(NC(=O)COC(C)=O)cc(OC)c1OC,CID1252029,,,,,,,,,,,,,,0.0,,,
CCOC(=O)CNC(=O)Nc1cccc(Cl)c1C,CID2206953,0.0,,,,,,,,,0.0,0.0,,,,0.0,0.0,0.0
CCN(CC)C(=O)CSc1ccccc1N,CID712541,,,,,0.0,,0.0,,,,,,,,,,
CC(Cc1ccc(O)c(O)c1)(NN)C(=O)O,CID34359,,,,,0.0,,,,,,,,,,,,
CC(Oc1ccc(Cl)cc1Cl)C(=O)NCCCN(C)C,CID2862042,,,,,,,0.0,,,,,,,,,,
C/C=C/c1ccc(OC)c(OC(C)=O)c1,CID796903,,,0.0,,,0.0,,0.0,0.0,,,,0.0,,,,
CCCCNC(=O)OC(C)CNC(=O)Oc1cccc(C)c1,CID3245950,,0.0,,0.0,,,,,,0.0,,,,,,,
CC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1c(F)cccc1F,CID3240079,,,,,,,,,,0.0,,,,,,,0.0
CON(C)C(=O)Nc1ccc(Cl)cc1,CID15629,,0.0,0.0,,,,0.0,,,,,,,0.0,,0.0,
CCCCOCCCNS(=O)(=O)Cc1ccccc1,CID2290683,,,,0.0,0.0,,0.0,,,,,,,,,,
CCOC(=O)C(CCCCOc1ccc([N+](=O)[O-])cc1)C(=O)OCC,CID2843521,,,,,,0.0,,,,,,,,,,,
CC(C)(C)c1cc(CN(CCO)CCO)cc(C(C)(C)C)c1O,CID612906,,,,,0.0,,,,,,,,,,,,
C=C(C)CNC(=S)NNC(=O)c1ccc(Br)cc1,CID2249491,,,,,,,,,,,,,,0.0,,,
COc1ccc(C=C(C#N)C#N)cc1,CID2063,,,,,,,,0.0,,,,,,,,,
COc1cc(SC)ccc1C(=O)NCCCOC(C)C,CID2229309,,,,0.0,0.0,,,,,,,0.0,,,,,
CCC(C)NC(=O)c1cc(Cl)ccc1OC,CID2900001,,,,,,,,,,0.0,,,,0.0,,,
CCC(C)C(NC(=O)C(NC(=O)c1ccccc1F)C(C)C)C(=O)OC,CID11834480,,,,,,,,,,,,,,0.0,,,
COCCNC(=S)c1ccc(OC)cc1,CID2236874,,0.0,,0.0,,,,,,,,,,,,,
CC(C)CNC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1,CID2247961,,,,,,,,,,,,0.0,,,,,
COCCNC(=O)C(=O)Nc1cccc(Br)c1,CID9550497,,,,,,,,,0.0,,,0.0,,,,,
COc1ccc(C(C)=O)cc1CSCCC#N,CID1830938,,,,,,,,,,,,,,,0.0,,
CCCCC(CCC(=O)Nc1ccc(C(=O)OCC)cc1)C(=O)O,CID661146,,,0.0,,,,,,,,,,,,,,
CCCc1ccccc1OCCNC(C)=O,CID559346,,,,,,,,,,,,,,,,0.0,0.0
CCCCCOc1ccc(NC(=O)CCCC(=O)O)cc1,CID2281127,,,0.0,,,,,0.0,,0.0,,,,,,,
COC(=O)C(C)NC(=O)Nc1ccccc1F,CID663602,,0.0,,0.0,,,,,,,,,,,,,
C=CCOc1c(Cl)cc(/C=N/O)cc1OC,CID2288493,0.0,,,,,,,,,,,,,,,,
CC(C)CCOCC(=O)Nc1cccc(C(=O)O)c1,CID666726,,,,,,,,,,,,,,,,0.0,
COC(=O)c1ccc(OCC(O)CN(CCO)CCO)cc1,CID660398,,,,,0.0,,,,,,,0.0,,,,,
COCCNC(=O)CSCc1c(F)cccc1Cl,CID2217851,,,,0.0,,,,,,0.0,,,,,,,
COC(=O)CSc1ccc(C#N)c(SCC(=O)OC)c1,CID728891,,,,,,,,,,,0.0,,,0.0,,,
CCN(CC)C(=S)SCc1cc([N+](=O)[O-])ccc1OC,CID821672,,,,,,,,,,,,,,0.0,,,
CCC(=O)Nc1cccc(NC(C)=O)c1,CID875904,,,,,,,,,,,,0.0,,,0.0,,
CNC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O,CID846839,,0.0,,,,,,,,,,,0.0,,,0.0,
CCCCCCOc1cccc(N)c1,CID652414,,,,,,,,0.0,,0.0,,0.0,0.0,,,0.0,0.0
CCOC(=O)c1ccc(NC(=O)C(CC)CC)cc1,CID882212,,,,,,,,,,,,,,,,0.0,
COCC(C)NC(=O)c1cccc(Cl)c1,CID2878100,,,,0.0,,,,,,0.0,0.0,0.0,,,,,
CCS(=O)(=O)Nc1ccc(C(=O)OC)cc1,CID896859,,,,,0.0,,,,0.0,,,,,,,,
CCNC(=O)/C=C/c1ccccc1[N+](=O)[O-],CID890046,,,,,,,,,,,,,,,0.0,,
COc1cc(NC(=O)C(C)C)cc(OC)c1,CID885768,,,,,,,,,,,,,,,0.0,,
Cc1ccc(NC(=O)CCC(=O)NCCO)cc1,CID1886581,,,,,,,,,,,,0.0,,,,,
COC(=O)c1ccccc1/N=C(\SC)N(C)C,CID658150,,,,0.0,0.0,,0.0,,,0.0,,,,,,,0.0
C=CC(=C)CC(NC)c1ccccc1,CID3241028,,,,0.0,,0.0,0.0,,,,,0.0,,,,,
COc1ccc(NC(=O)CCCC(=O)O)cc1Cl,CID2317183,,,,,,,,,,,,,,0.0,,,
COc1ccc(OC)c(C(C)NC(C)=O)c1,CID3666723,,,,,,0.0,0.0,,,,,,,,,0.0,
CCCCCCOC(=O)NCC(O)c1ccccc1,CID2840978,,,,0.0,,0.0,,,,,,,,,,0.0,
COc1ccccc1/C=N/N=C(\N)N[N+](=O)[O-],CID407084,,,,,,,,,,,0.0,,,,,,
CCCCCCCCCCS(=O)(=O)N/N=C/c1ccc([N+](=O)[O-])cc1,CID3484546,,,,,,,,,,,,0.0,,,,,
CCOC(=O)C(=Cc1ccc(F)cc1)C(=O)OCC,CID2765866,,,,,,0.0,,,,,,,,,,,
C=CCOc1ccc(/C(CC)=N/O)c(OC)c1,CID2908342,,,,,,,,,,,,,,,,1.0,
CC(=O)Nc1ccc(S(=O)(=O)NC(C(=O)O)C(C)C)cc1,CID3125902,,,,,,,,,,,,0.0,,,,,
CC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)O,CID2770855,,,,,,,,,,,0.0,,,0.0,,,
CC(C)CC(NC(=O)COc1ccccc1)C(=O)O,CID2770853,,,0.0,,,0.0,,,,0.0,,,0.0,,,,0.0
CC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1cccc(C)c1C,CID4360312,,,0.0,,,,,0.0,,,,,0.0,,,,
CCCNCc1cc(OCC)c(OCC(N)=O)cc1Br,CID2240591,0.0,,,,,,,,,,,,,,,0.0,0.0
COc1ccc(C(N)=O)cc1NC(=O)CC(O)(C(F)(F)F)C(F)(F)F,CID2961839,,,,,,,,,0.0,,,,,,,,
CC(NC(=O)CC(O)(C(F)(F)F)C(F)(F)F)c1ccccc1,CID2961838,,,,,,,,,0.0,,,,,,,,0.0
COC(=O)C(O)(CC(=O)Nc1cccc(SC)c1)C(F)(F)F,CID2961837,,,,,,,,,,,,,,,,,0.0
CCc1ccccc1NC(=O)CC(O)(C(=O)OC)C(F)(F)F,CID2961836,,,,,,,,,,,,,,,,,0.0
COC(=O)C(O)(CC(=O)Nc1ccc(Cl)cc1F)C(F)(F)F,CID2961835,,,,,,,,,0.0,,,,,,,,0.0
COC(=O)C(O)(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(F)(F)F,CID2961834,,,,,,,,,0.0,,,,,,,,0.0
CC(C)Oc1ccc(C(=O)O)c(C(=O)O)c1,CID938607,,,,,,0.0,,,,,,,,,,,
CCN(CC)CCN(CC)Cc1ccccc1Br,CID2053516,0.0,,,,,,,,,,,,,,,0.0,
CC(C)COC(=O)NCCCOC(=O)Nc1ccccc1,CID2058637,0.0,,,0.0,,,,,,,,,0.0,,,0.0,
O=C(O)CCCNS(=O)(=O)c1ccc(F)cc1,CID2248043,,,,,,,,,,,,0.0,,,,,
CC(=O)c1ccc(OCC(C)C)c(CC(C(N)=O)C(N)=O)c1,CID739071,,,,,0.0,,,0.0,,0.0,,,0.0,,,0.0,
CSCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)O,CID3125294,,,,,,,,,,,,,,,0.0,,
CC(=O)/C(N)=N/Nc1cccc(Cl)c1,CID9693090,,,,,,,,,,,,,,0.0,,,
COC(=O)C(NC(=O)C(C)Oc1ccccc1)C(C)C,CID2961484,,,,,,,,,,,,,,,,0.0,0.0
CC(C)NC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O,CID648701,,,,,,,,,0.0,,,,,,,,0.0
C=CC/N=C(\NC#N)SCC(=O)NCc1ccccc1,CID660647,,0.0,,0.0,,,0.0,0.0,,,0.0,,0.0,,,,
CC(=O)NCCOc1ccc(C(=O)O)cc1,CID660645,,,,,,,,,,,,,,,,0.0,
Cc1ccc(S(=O)(=O)CC(=O)NC(C)(C)C)cc1,CID851320,,,,,,,,,0.0,0.0,,,,,,,
COC(=O)NNC(=S)NCc1ccccc1,CID2478216,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C(CCCOc1cccc(CC)c1)C(=O)OCC,CID2299291,,,,,,,,,,0.0,,,,,,,
CCOc1cccc(OCCCNCCCOC)c1,CID2299290,,,,0.0,,,,,,0.0,,,,,,0.0,
CCOc1ccc(NCCC#N)cc1,CID152647,,,,,,,,,,,,0.0,,,,,
CC(C)=CC(=O)OCC(=O)Nc1ccc(F)cc1Cl,CID2364458,,,,,,,,,,0.0,,0.0,0.0,,0.0,,0.0
COc1ccc(CN/C(C)=C(/C#N)C(N)=O)cc1OC,CID658795,,,,0.0,0.0,,0.0,,,,,,,,,,
CCCC(=O)NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1,CID5346862,,,,,,0.0,,,,,,,,,,,
CC(C)CNC(=O)CSc1ccc(Cl)cc1,CID875637,,,,,,,,,,0.0,,,,,,,
COC(=O)N/N=C(\C)c1ccccc1Br,CID3427519,,,,,,,,,,,,0.0,,,,,
CCCCCNCc1ccc(Cl)cc1,CID2466110,,,,,,,,,,,,,,0.0,,,
COCCCNC(=O)CCSc1ccc(Cl)cc1,CID2273339,,0.0,,,,,,,,,,,,,,,
CCOC(=O)COc1c(/C=N/OC)cc(Cl)cc1OC,CID3785110,,,,,,,,,,,,,,,0.0,,
CCCCSC(=O)Nc1ccccc1,CID302991,,,,,0.0,,,,,,,,,,,,
CC(C)=CC(=O)NCCc1ccccc1,CID731815,,,,,,,,,,,0.0,,,,,0.0,
CCCCS(=O)CC(CS(=O)CCCC)OC(=O)c1ccc(C)cc1,CID2895604,,,,,,,,,,,0.0,0.0,,,,,
C=CCOC(=O)Nc1ccc(Cl)cc1NC(=O)OCC=C,CID658619,0.0,0.0,,0.0,,,,,,0.0,,,,,,0.0,
CC(C)(C)c1ccccc1OCC(=O)NCCC(=O)O,CID651399,,,,,,0.0,,0.0,,,,,0.0,,,0.0,
CCOc1ccc(Br)cc1/C=N/O,CID807741,,,,,,,,,,,,0.0,,,,,0.0
CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NC(C)(C)C)c1,CID3126980,,,,,,,,0.0,,0.0,,0.0,,,,,
O=C(O)CCCC(=O)Nc1ccc(Cl)c(Cl)c1,CID762583,,0.0,,0.0,,,,,,,,,,,,,
C=CCNCCOCCOc1ccc(C)cc1[N+](=O)[O-],CID2299665,,,,,,,,,,,,0.0,,,,,
CCCCCCCC(=O)NC(Nc1ccc(S(N)(=O)=O)cc1)C(Cl)(Cl)Cl,CID2831342,,,,,,,,,,,,0.0,,,,,
CC(=O)CC(=O)Nc1ccccc1NC(C)=O,CID957332,,,,0.0,,,,,,,,0.0,,,,,
CC(=O)OCC(=O)Nc1ccc(Cl)cc1Cl,CID716415,,,,0.0,,,,,,,,,,,,,
COC(=O)NCc1cccc(CNC(=O)OC)c1,CID756957,,,,,,,,,,,,,,,,0.0,
CC(C)=CC(=O)Nc1ccccc1Br,CID733806,,,,,,,,,,,0.0,0.0,,,,0.0,
O=C(CCC(=O)OCC(F)(F)C(F)F)Nc1ccc(Cl)cc1,CID2057032,,,,,,,,,0.0,,,,,,,,
C=CCNC(=O)NS(=O)(=O)c1ccc(C)cc1,CID658363,,,,0.0,,,0.0,,,,,,,,,,
Cc1cc(NC(=S)NC(=O)CC(C)C)ccc1Br,CID833919,,,,,,,,,,,,,,0.0,,,
CN(C)C(=O)NCc1ccc(S(N)(=O)=O)cc1,CID2227132,,,,0.0,,,0.0,,,,0.0,,,,,,
CCCCN/C(N)=C(\C(=O)OCC)C(=O)c1ccc(OC)cc1,CID2187762,0.0,,,,0.0,,,0.0,,0.0,,,,,,,
CC(NC(=O)COc1cccc(Br)c1)C(=O)O,CID3238120,0.0,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1ccc(NC(=O)CSCCC(=O)O)cc1,CID2492710,,,,,,,,,,,,,,,0.0,,
O=C(O)CCC(=O)Nc1ccc(Br)c(Cl)c1,CID722034,,,,,,,,,,,,,,,0.0,,
CCOCCCNC(=O)CCCOc1ccccc1,CID2179064,,,,,,,,0.0,,,,,0.0,,,0.0,
COC(=O)NNC(=O)COc1ccc(Cl)cc1,CID1787926,,,,,,,,,,,,0.0,,,,,
CCCC(C)NC(=O)Cc1ccc(Br)cc1,CID2905249,,,,,,,,,,,,,,0.0,,,
C/C(=N\NC(=O)C(N)=O)c1ccc(OC(F)F)cc1,CID4063068,,,,,,,,,,,,,,0.0,,,
COc1cccc(NC(=O)C(=O)NCC(C)C)c1,CID2247684,,,,,,0.0,,,,,,,,,,,
CC(=O)NCC(=O)OC(C)C(=O)Nc1ccc(C(C)=O)cc1,CID2999875,,,,,,,,0.0,,,,,0.0,,,,
CN(C)/C=C/C(=O)c1ccc(F)cc1,CID5374477,,,,,,0.0,,,,,,,,,,,
CCCC(CCC(=O)Nc1ccc(C(=O)OC)cc1)C(=O)O,CID661038,,,,,,,0.0,,,,,,,,,,
CCCNC(=O)c1cccc(COCC(F)(F)C(F)F)c1,CID1765609,,,,,,,,,0.0,,,,,,,,0.0
CNC(=O)Nc1cccc(C(F)(F)F)c1,CID98771,,,,,,,,,0.0,,,,,,,,0.0
O=C(O)CCCNCc1ccccc1F,CID3237914,,,,,,0.0,,0.0,,,,,,,,,
CCC(C)(C)NC(=O)Cc1ccccc1OC,CID977580,,,,,,0.0,,,,0.0,0.0,,,,,,
CCOCCCNC(=O)CCNS(=O)(=O)c1ccc(C)cc1,CID3241331,,,0.0,,,,,,,,0.0,,,,,0.0,
Cc1cccc(C)c1NC(=O)CSCCO,CID648120,,,,,0.0,,0.0,0.0,,,0.0,,0.0,,,,
Cc1cc(OCC(=O)NCC(C)C)cc(C)c1Br,CID803348,,,,,,,,,,,0.0,,,,,,
CCOC(=O)NCCc1ccc(OC)cc1,CID887923,,,,,,,,0.0,,,,,0.0,,,,
CCCOc1ccc(CN(CCO)CCO)cc1C(=O)OC,CID663343,,,,,0.0,,,0.0,,,,,,,,,
CCN(CC(=O)NC)S(=O)(=O)c1ccc(Br)cc1,CID2243369,,,,,,,,,0.0,,,,,0.0,,0.0,
CC(=O)Nc1ccccc1NC(=O)CC(C)(C)C,CID803099,,,,,,,0.0,,,,,,,,,,
COC(=O)NCCOc1cc(C)ccc1C,CID2216614,,,,,,,,,,,,,,,,0.0,
CCOc1cc(C(=O)NCC(C)CN(C)C)cc(OCC)c1OCC,CID2961703,,0.0,,,,,,,,,,,,,,,
O=C(CNC(=O)c1ccccc1)NCCO,CID2763485,,,,,,,,,,,,,,0.0,,,
CC(Sc1ccc(Br)cc1)C(N)=O,CID2998202,,,,,,,,,0.0,,,,,,,,
COC(=O)c1ccccc1NC(=O)CC#N,CID660840,,,0.0,0.0,,,,,,,0.0,,,,,0.0,
COCC(=O)Nc1ccc(C)c(Cl)c1,CID836498,,,,0.0,,,,,0.0,0.0,,0.0,,0.0,,0.0,
CC(C)(C)SCCNC(=O)COc1ccc(Cl)cc1,CID2288180,,0.0,,,,,,,,0.0,,,,,,,
CCOC(=O)c1ccccc1NC(=O)COC,CID836491,,,0.0,,,,0.0,0.0,0.0,,,,,,,,
CC(C)(C)c1ccc(O)c(N)c1,CID70982,,,,0.0,,0.0,0.0,,,0.0,,,0.0,,,,
CCOc1ccc(CN(C)C(=O)CCl)cc1,CID2496513,,,,,,,,,,,,,,0.0,,,
Cc1ccc(OCCC(=O)OCC(=O)C(C)(C)C)cc1,CID2346297,,,,,,,,0.0,,,,0.0,,,,,
CCCC(=O)Nc1ccc(Cl)c(NC(=O)CC)c1,CID2411856,0.0,0.0,,,,,0.0,,,0.0,0.0,,,,,,0.0
COC(=O)C(CCSC)NC(=O)Nc1ccc(OC)cc1,CID664794,,,,,,0.0,0.0,,,,,,,0.0,,,
N#CCCN(CC(=O)O)S(=O)(=O)c1ccccc1,CID555114,,0.0,,,,,,,,,,,,,,0.0,
CCCC(=O)Nc1ccc(C(=O)O)cc1NC(=O)CCC,CID774749,,,0.0,,,,,0.0,,,,,,,,,
CC(C)(C)C(=O)/C=C(N)\C=C\c1ccccc1,CID5337800,,,,,,0.0,,,,,,,,,,,
CC(C)CCNC(=O)NC(=O)COc1c(F)c(F)cc(F)c1F,CID2544321,,,,,,,,,0.0,,,,,,,,
N/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N\O,CID2901634,,,,,,,0.0,,0.0,,,,,,,,0.0
CC(=O)Nc1ccc(NC(=O)CN(C)CCC#N)cc1,CID2173039,,0.0,,0.0,,,0.0,,,,,0.0,0.0,,,,
CCOCC(O)CNc1ccccc1,CID3144954,,,,,,,,,,,,,,,0.0,,
CCC(C)(C)C(=O)Nc1ccc(C(N)=O)cc1,CID670169,,,,,,,,,,,,0.0,,,,,
Cc1ccc(SC(C)C(=O)NCC(C)C)cc1,CID2942383,,,0.0,,0.0,,0.0,,,,,,,,,,
CC(=O)NC(Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O,CID14399,,,,,,,,,,0.0,,,,,,,
CC(=O)Nc1cccc(N(C)S(C)(=O)=O)c1,CID893471,,,0.0,,,,,,,0.0,,,,,,0.0,
C=CCN(CC=C)C(=O)COc1ccccc1,CID669897,,,,,,0.0,,,,,,,,,,,
CCC(=O)Nc1c(C)cc(C)cc1Cl,CID731664,,0.0,,,,,,,,0.0,,,,,,,0.0
Cc1cc(C)c(NC(=O)C(C)(C)C)c(Cl)c1,CID731666,,,0.0,0.0,,,0.0,,,,,,,,,,0.0
CCCC(=O)Nc1ccc(OCC(=O)OC)cc1,CID976859,,,,0.0,,,,,,,,,0.0,,,0.0,
Cc1ccc(C(=O)NCCSC(C)(C)C)cc1,CID2284918,,,,,,0.0,,,,,,0.0,,,,,
CC(Oc1ccc(F)cc1F)C(=O)/C=C/N(C)C,CID5708056,,,,,,,,,,,,,,0.0,,,
CCS(=O)(=O)NCCCc1ccccc1,CID2167095,,,0.0,,0.0,,,,,,,,0.0,,,,0.0
C=CCNC(=O)c1ccc(C)cc1Cl,CID1814962,0.0,,,,,,,,,0.0,,,,,,,
CCCCOc1ccc(CC(=O)NO)cc1,CID2466,0.0,,,,,,0.0,0.0,,,,,,,,,
NCC(CC(=O)O)c1ccc(Cl)cc1,CID2284,0.0,,,,,,,,0.0,,,,,,,,0.0
Cc1ccc(CCNC(=O)NC(C)(C)C)cc1,CID727879,,,,0.0,,,0.0,0.0,,,,0.0,,,,,
CCCOC(=O)c1ccc(NC(=O)C(CC)CC)cc1,CID2165798,,,,,,,,,,,,,,,0.0,,
C=CC/N=C(\NC#N)SCC(=O)c1cccc(OC)c1,CID660691,,,,0.0,,,,0.0,,,,,0.0,,,,0.0
O=C(O)CSCC(=O)c1ccccc1,CID290218,,,,,,,,,0.0,,,,,,,,
CCOC(=O)Nc1ccc([N+](=O)[O-])cc1C,CID5195277,,,,,,,,,,,,,,,0.0,,
CCCCN(C)CCC(=O)Nc1ccc(OC)cc1OC,CID2167948,,0.0,,,,,0.0,,,,,,,,,,
CCC(=O)Nc1cc(C(C)C)c(O)cc1C,CID2223120,,,,0.0,,,,0.0,,,0.0,,,,,0.0,
CSCCC(NC(=O)NCc1ccc(F)cc1)C(=O)O,CID664124,,,0.0,,,,,,,0.0,,,,,,,
CCCCC(C(=O)O)C(C)CC(=O)Nc1cccc(C(=O)O)c1,CID659800,,,0.0,,,,0.0,,,,,,,,0.0,,
CN(C)C(C/C=N/OCc1ccc(Cl)cc1)=C(C#N)C#N,CID3777155,,,,,,0.0,,,,,,,,,,,
CCNC(=O)CC(=O)Nc1ccccc1C(=O)O,CID658449,,,,,,,,,0.0,,,,,,,,
CCC(C)(C)NC(=O)Cc1ccc(OC)c(OC)c1,CID977652,,,,,,,,,,,0.0,,,,,,
CCCCOC(=O)c1ccc(NC(C)=O)cc1,CID2298826,,,,,,,,,,,,,0.0,,,0.0,
CC(C)CC(=O)NC(=S)NCCc1ccccc1,CID2293911,,,,,,0.0,,,,,,,,,0.0,,
CCCCC(=O)Nc1ccc(NC(=O)CC)cc1OC,CID2179309,0.0,,,0.0,,,,0.0,,,,,,,,0.0,
C=COCCNC(=O)Nc1ccc(Cl)c(Cl)c1,CID646703,,,,,,,,,,,,,0.0,,,,
Cc1ccc(C)c(N(CC(N)=O)S(C)(=O)=O)c1,CID846442,,0.0,,0.0,,,,,,,,,,,,,
CC(=O)c1cc(CC=C(C)C)c(O)cc1O,CID902169,,,,,,0.0,,,,,,,,,,,
CCOC(=O)Nc1ccc(NC(=O)OCC)cc1,CID231841,,,,,,,,,,,0.0,,,,,,
NC(=O)Nc1cccc(C(F)(F)F)c1,CID25712,,,,,,,,,0.0,,,,,,,,0.0
CCCOc1ccc(CSC(CC(=O)O)C(=O)O)cc1,CID661178,,,,0.0,,,,0.0,,,,,,,,,
CC(=O)c1ccc(NC(=O)NC(CC(C)C)C(=O)O)cc1,CID664833,,0.0,0.0,,,0.0,,,,0.0,,,,,,,
NC(=O)CC(NC(=S)NCc1ccccc1)C(=O)O,CID2872282,,,,,,,,,,0.0,,,,,,,
CC(=O)Nc1cc(Br)ccc1O,CID975084,,,,,,,,,,,,,,0.0,,,
CC(C)Oc1c(Cl)cc(CNC(C)(C)CO)cc1Cl,CID1302403,,,,,,,,,,0.0,,,,,,0.0,
O=C(O)COc1ccc(Cl)cc1CO,CID22883,,,,,,,0.0,,,,,,,0.0,,,
CCC(NC(=O)Nc1cc(OC)c(OC)c(OC)c1)(C(F)(F)F)C(F)(F)F,CID658879,,,,,,,,,0.0,,,,,,,,
CN(C)C(=O)Nc1ccc(F)cc1F,CID2228800,,,,,,,0.0,,,,,,,,,,
CC(C)COC(=S)Nc1ccccc1,CID777957,,,,,,0.0,,,,,,,,,,,
CNC(=O)NC(=O)CSc1cccc(C(F)(F)F)c1,CID2591984,,,,0.0,,,,0.0,0.0,,,,,,,,0.0
CCCCC(NC(=O)c1ccc(Cl)cc1)C(=O)O,CID658554,,0.0,,,,,,,,,,,,,,,
CCOC(=O)CNC(=O)CNC(=O)c1ccc(OC)cc1,CID658555,,0.0,,,0.0,,0.0,,,0.0,,,,,,,
N#CCC(=O)NNC(=S)Nc1ccccc1C(F)(F)F,CID2207276,,,,,,,,,,,,,,0.0,,,
CC(C)(C)SCCNS(=O)(=O)c1ccc(F)cc1,CID2280229,,,0.0,0.0,,0.0,,,,0.0,,,,,,,
CC(C)CC(NC(=O)Nc1cccc(Cl)c1)C(=O)O,CID664506,0.0,0.0,,,,,0.0,,,,,,,,,0.0,0.0
CCCCOc1ccccc1N,CID138265,,,,,,,,,,,,0.0,,,,,
NC(=O)/C(=N\O)c1ccccc1,CID6400960,,,,0.0,,,,,,,,,,,,,
CC(C)C(=O)Nc1ccc([N+](=O)[O-])cc1Br,CID2790202,,,,,,,,,,,,,,,0.0,,
CC(=O)NC(NC(C)=O)c1ccc(N(C)C)cc1,CID853046,,0.0,,,,,,,,,,0.0,,,,,
N#CC(C#N)=C(N)/C(C#N)=C/c1ccc(O)cc1,CID5328804,,,,,,,,0.0,,,,,,,,,
COc1ccccc1NC(C)=O,CID7135,,,,,,0.0,,,,,,,,,,,
CCCCNC(=O)COc1ccccc1[N+](=O)[O-],CID2500379,,,,,,,,,,,,,,,0.0,,
CCC(=O)NCCCOc1ccccc1,CID1581116,,,,,,,,,0.0,,0.0,,,,,,
CCCC(O)(CCN(C)C)c1ccc(OC)cc1,CID3242685,,0.0,,,,,,,,,0.0,,,,,0.0,
COC(=O)C(O)(CC(=O)Nc1ccc(OC)cc1)C(F)(F)F,CID3127882,,,,,,,,,0.0,,,,,,,,
COC(=O)NCC(C)OC(=O)Nc1cccc(Cl)c1,CID647215,0.0,0.0,,0.0,,,,,,0.0,,,,,,0.0,0.0
CC(C)NC(=O)/C(=N\O)c1ccccc1,CID6620847,,,,,,0.0,,,,,,,,,,,
CC(C)=CC(=O)Nc1ccccc1C(N)=O,CID731812,,,,0.0,,,,,0.0,,,0.0,,,,,
Cc1c(F)cccc1NC(=O)CCC(=O)O,CID977429,,,,,,,,,,,,,0.0,,,,
CC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1ccccc1C,CID3243690,,,,,,,0.0,,,,0.0,,,,,0.0,
CCOC(=O)NC(NCC(O)c1ccccc1)(C(F)(F)F)C(F)(F)F,CID383569,,,,,,,,,0.0,,,,,,,,
CC(=O)Nc1ccc(OCC=C(Cl)Cl)cc1,CID868124,,,,,,,,,,,,,0.0,,,,
COC(=O)CCC(=O)Nc1ccc(Br)cc1,CID727399,0.0,,,,,,,,,,,0.0,,,,,0.0
CC(C)=CC(=O)OCC(=O)Nc1ccc(Cl)cc1,CID2347395,,,,,,,,,,,,,,0.0,,,
CC(C)C(=O)Nc1ccc(Br)cc1Cl,CID2111814,,,,,,,,,,,,,,,0.0,,
COC(=O)N/N=C(\C)c1ccc(Br)cc1,CID909516,,,,,,,,,0.0,,,0.0,,,,,
COc1ccc(CCCNC(=O)CC#N)cc1OC,CID657762,,,,,,,,,,0.0,,0.0,,,,,
CC(=O)Nc1cc(S(=O)(=O)C(F)(F)F)ccc1Cl,CID825464,,,,,,,0.0,,,,,,,,,,
CC(=O)c1ccc(NC(=O)CSC(C)C)cc1,CID677408,,,,,0.0,,,,,,,,,,,,
N#CC(C#N)=C/C(N)=C(/C#N)c1cc(O)c(O)c(O)c1,CID6604029,,,,,,,,0.0,,,,,,,,,
CC(C)NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1,CID2430772,,,0.0,,,,,,,,,0.0,,,,0.0,
Cc1cc(Cl)ccc1NC(=S)NCCCO,CID2171221,,,,,,,,,,,,,,0.0,,,
CCCCNC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1,CID2248018,,,,,,,,,,,,0.0,,,,,
CCN(CC)CCCNS(=O)(=O)c1ccc(OC)cc1,CID2165059,,0.0,,,0.0,,,,,,,,,,,,
CCN(CCC(=O)O)c1ccccc1,CID910534,,,,,,,,,,,,,,0.0,,,
OCCSc1c(F)c(SCCO)c(SCCO)c(F)c1SCCO,CID1713354,,,,,0.0,,,,,,,,,,,,
CCOc1cc(Br)c(C(=O)O)cc1OC,CID2240834,,,,,,,,,,,,0.0,,,0.0,,
CC(=O)CCC(=O)NCCc1ccccc1F,CID1811012,,,0.0,,,,,,,,,,,,0.0,,
CC(C)(C)NC(=O)CC(CC(=O)O)c1ccccc1,CID3580533,,,,,,,,0.0,,,,,,,,,
CN(C)CCNc1ccc(Cl)cc1[N+](=O)[O-],CID2829597,,,,,,,,,,,,,,,0.0,,
C/C(N)=N\S(=O)(=O)c1ccc(Cl)cc1,CID6023689,,,,0.0,,,,,,,,,0.0,,,,0.0
CCOC(=O)C(CCOc1cccc(CC)c1)C(=O)OCC,CID2297216,,,,,,,0.0,,,,,0.0,,,,,0.0
CC(=O)Nc1ccc(SC(C)C(=O)NC(N)=O)cc1,CID4352280,,,,,,,,,,,,,,0.0,,,
Cc1cc(Cl)ccc1OCC(=O)O,CID7204,,,,,,,,,,,,,,,,,0.0
C=CCNC(=O)c1cccc(Br)c1,CID2054582,0.0,,,,,,,,,,,0.0,,,,,
N#CCCNc1ccc(OCCC#N)cc1,CID647553,,,,0.0,,,,,,,,0.0,,0.0,,,
CCCOc1c(Cl)cc(/C=N/O)cc1OCC,CID2115217,,,,,,,,,,,,,,0.0,,,
CCOc1cc(C(N)=O)cc(OCC)c1OCC,CID2191518,,,,,0.0,,0.0,,,,,,0.0,,,0.0,
C=CCNC(=O)c1ccc(OC)cc1OC,CID1813990,,,0.0,,,,,,,,0.0,0.0,0.0,,,0.0,
CCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC)cc1,CID2905439,,,0.0,,,,,0.0,,,,,0.0,,,0.0,
CCOc1cc(/C=C/C(=O)O)ccc1OCCO,CID2168588,,,,,,,,,,,,,,0.0,,,
COCCCNC(=O)c1cc(OC)c(OC)c(OC)c1,CID646730,,,,,,,,,,,,0.0,0.0,,,0.0,
CCCOc1cccc(C(=O)O)c1,CID586799,,,,,,,0.0,0.0,0.0,,,,0.0,,,,
COc1ccccc1OCC(O)CO,CID3516,,,,,,,,,,,,,,0.0,,,
O=C(O)CCCC(=O)Nc1ccc(Cl)cc1,CID765844,,,,,,,,,,,,,,0.0,,,
CC(C)(C)SCCNC(=O)CSCc1ccc([N+](=O)[O-])cc1,CID2288011,,,,,,0.0,,,,,,,,,0.0,,
CCOC(=O)C(C(=O)OCC)C(NS(=O)(=O)c1ccccc1)(C(=O)OC)C(F)(F)F,CID2937636,,,,,,,0.0,,,,,,,,,,
CN(c1ccccc1C(=O)O)S(C)(=O)=O,CID655752,,,,0.0,,,,,0.0,,,,,,,,
CCOC(=O)CCCOC(=O)c1ccc(S(=O)(=O)N(C)C)cc1,CID2560274,,,,,0.0,,0.0,0.0,0.0,,0.0,,,0.0,,0.0,0.0
CCCCNCCCOc1cccc(Cl)c1Cl,CID2248430,,,,,,,,,0.0,,,,,,,,
CC(=O)NS(=O)(=O)c1ccc(N)cc1,CID5320,,0.0,0.0,,,,0.0,,0.0,,,,,0.0,,0.0,
COc1ccc(NC(=O)NC(CCSC)C(=O)O)cc1Cl,CID664290,,,0.0,0.0,,,,,,,0.0,,0.0,,,,
CCC(C)NC(=O)CO/N=C/c1ccc(C(=O)OC)cc1,CID4562902,,,,,,,,,,,,,,,0.0,,
CCCOC(=O)NC(CC)COC(=O)Nc1cccc(C)c1C,CID3115348,,0.0,,,,,,,,,,,,,,,
CCCCOC(=O)Nc1cccc(Cl)c1C,CID1640930,,,,,,,,,,0.0,,,,0.0,,,
CC(C)(C)C(=O)CC(=O)Nc1ccc(Cl)c(N)c1,CID870541,,,,,,,,,,,,,,,,0.0,0.0
CCCCCCS(=O)Cc1ccccc1,CID2249213,,,,,,,0.0,,,0.0,,,,,,,
CCN(CC)C(=S)SCC(=O)Nc1cccc(C(F)(F)F)c1,CID2290392,,,,,,,,,,,,0.0,,,,,
COC(=O)CNS(=O)(=O)c1ccc(OC)cc1,CID743488,,,,,,,,,0.0,,,,,,0.0,,
CC(C)(C)CC(C)(C)NC(=O)c1ccccc1,CID974108,,,,,,,,,,,,,,,0.0,,
CCC(CC)C(=O)NCCCCc1ccccc1,CID1769548,,,,,,,,,,,,,,0.0,,,
CC(=O)NC(O)C(=O)c1ccccc1,CID2830273,,0.0,,0.0,,0.0,,,,,,,,,,,
CC(=O)N(C)Cc1ccc(C(=O)CCl)cc1,CID2531772,,,,,,,,,,,,,,0.0,,,
COc1ccccc1NC(=O)/C=C/C(N)=O,CID6151020,,,,,,,,,,,0.0,,,,,,
C=CCNC(=O)C(=O)N/N=C/c1cccc(Br)c1,CID2244352,,,,,,,,,,,,,,0.0,,,
CCOCCOC(=O)c1cccc(NC(=O)OCC)c1,CID1563400,,,,,,0.0,,,,,,,0.0,,,0.0,
C#CC(C)(CC)NC(=O)c1cc(OC)c(OC)c(OC)c1,CID3236682,,,,,,,,0.0,,,,,,,,0.0,
CCOC(=O)NC(NCCc1ccccc1)(C(F)(F)F)C(F)(F)F,CID1898034,,,,,,,,,0.0,,,,,,,,
CNC(=S)Nc1ccc(Br)cc1,CID698298,,,,,,,,,,,,,,0.0,,,
CC(/C=C/c1ccccc1)=N\O,CID638164,,,,0.0,,,,,,,,,,,,0.0,0.0
Cc1cc(C)cc(OCCCC(=O)O)c1,CID1622521,,,,,,,0.0,,0.0,,0.0,,,,,0.0,
Cc1cccc(OCCCC(=O)O)c1C,CID1622524,,,,,,,,,0.0,,0.0,,,,,0.0,
CCCOC(=O)Nc1cc(OC)c(Cl)cc1OC,CID2066628,,0.0,,0.0,,,,,,,,,,,,,0.0
CCCC(=O)NC(=S)Nc1ccc(C(C)=O)cc1,CID884723,,,,,,,,,,,,,,,0.0,,
CC(C)(C)NC(=O)Nc1ccccc1C(N)=O,CID1264791,,0.0,,,,,,0.0,,,0.0,0.0,,,,,
CCOC(=O)NC(CC(=O)O)c1ccc(OC)cc1,CID650406,,0.0,0.0,,,,,0.0,,,,,0.0,,,0.0,
CN(C)C(=S)NC(=O)c1cccc(Cl)c1,CID2302012,,,,,,,,,,,,,,0.0,,,
CCCCCCOC(=O)c1ccccc1N,CID87500,,,,,,,,0.0,,0.0,,,,,,0.0,
C/C(=C\c1ccc(N(C)C)cc1)[N+](=O)[O-],CID2060089,,,,,,0.0,,,,,,,,,,,
C#CCNc1ccc([N+](=O)[O-])cc1,CID4214837,,,,,,,,,,,,,,,0.0,,
CCOC(=O)C(NC(=O)CC)C(O)c1cccc([N+](=O)[O-])c1,CID2857158,,,,,,,,,,,,0.0,,,,,
CNC(=O)C(=O)Nc1c(C)cc(C)cc1C,CID2291672,,,,,,,,,,,,,,0.0,,,
O=C(NCCO)NC(=S)c1ccccc1,CID2214048,,,,,,,,,,,0.0,,,,,,
CCNC(=O)COC(=O)/C=C/c1ccccc1[N+](=O)[O-],CID2416148,,,,,,,,,,,,,,0.0,,,
CCNC(=O)CCCOc1ccc(Cl)cc1Cl,CID2227571,,0.0,,,,,,,,,,,,,,,
Cc1ccc(SCCNS(C)(=O)=O)cc1,CID2267413,,,,,,,,,,,,,0.0,,,0.0,
CCCCSCCCNC(=O)Nc1cccc(OC)c1,CID3238975,,,0.0,,0.0,,,,,,,,,,,,
CC(C)(C)c1ccc(SCC(N)=O)cc1,CID975595,,,,,0.0,,,,,,,,,,,,
CC(=O)Nc1ccc(NC(=O)CCC(=O)O)cc1,CID726251,,,,,,0.0,,,,,,,,,,,
CSCCC(NC(=O)Nc1ccc(C)cc1)C(=O)O,CID663871,,,,,0.0,,0.0,0.0,,,,,,,,,
CC(=O)NCCCNS(=O)(=O)c1ccc(C)cc1,CID2186028,,,,,,,,,,,,,,,0.0,,
CC(C)N(C(=O)CO/N=C/c1cccc([N+](=O)[O-])c1)C(C)C,CID2416792,,,,,,,,,,,,,,,0.0,,
CCC(CC)C(=O)NCc1ccc(OC)cc1,CID882141,,,,,,,,,,,,,,0.0,,,
Cc1cc(C(C)(C)C)ccc1OCCN(C)C,CID888337,,,,,,,,,,,0.0,,,0.0,,0.0,
CC(C)N(C(=O)Cc1ccccc1[N+](=O)[O-])C(C)C,CID888339,,,,,,,,,,,,,,0.0,,,
CCOc1cc(CO)cc(Br)c1OCC(=O)O,CID900368,,,,,,,,,,,,0.0,,,,,
CCOC(=O)C(NC(C)=O)(Nc1ccc(F)cc1)C(F)(F)F,CID383681,,,,,,,,,0.0,,,,,,,,0.0
CCN(CC(=O)NC(C)C)C(=O)C(CCSC)NC(=O)c1ccccc1OC,CID4840159,,,,,,,,,,,,,,,0.0,,
CC(=O)NCC(=O)OCC(=O)c1ccc(Cl)cc1,CID1615977,,,,,,,,,,,,,,0.0,,,
CCOc1ccccc1C(=O)NC(CO)C(=O)O,CID3102728,,,,,,,,,,,,0.0,,,,,
CCCCN(CC)C(=O)Cc1ccccc1OC,CID2287620,,,,,,0.0,,,,,0.0,,,,,,
COC(=O)CCCC(=O)Nc1ccc(Cl)c(Cl)c1,CID2224936,,,,,,,,,,,,,,,,,0.0
O=C(O)/C=C/C(=O)NNC(=O)c1ccccc1Br,CID2232643,,,,,,,,,,,,0.0,,,0.0,,
COCCCNC(=O)CCCOc1ccccc1,CID2164009,,,,,,,,,,,,,,,0.0,0.0,
CCC(C)NC(=O)c1cc(OC)c(OC)c(OC)c1,CID2999075,,,,,,,,,,,,,,,,0.0,0.0
CCOC(=O)C(NC(C)=O)C(OC(C)=O)c1cccc(N(CCO)CCO)c1,CID646515,,,0.0,,,,0.0,,,,,,,,0.0,,
CCc1cc(SC#N)cc(CC)c1NC(=O)CCl,CID2404975,,,,,,,,,,,,,,0.0,,,
CCc1cc(SC#N)cc(C)c1NC(=O)CCl,CID2404972,,,,,,,,,,,,,,0.0,,,
COCCNC(=S)N/N=C(\C)c1ccc(OC)cc1,CID3596454,,,,,,,,,,,,,,,0.0,,
CCCCOc1ccc(CSC(CC(=O)O)C(=O)O)cc1,CID660627,,,,0.0,,,,0.0,0.0,,,,,,,,
CCC(C)NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1,CID2947751,,,,,0.0,,0.0,,,0.0,,,,,,,
COc1cc(OC)c(NC(=O)CC(C)=O)cc1Cl,CID85565,,,,,,,,,,,,,,0.0,,,
CCC(=O)Nc1ccc(Cl)c(NC(=O)C(C)C)c1,CID894694,,,,,,,,,,,,,,,,0.0,
COc1ccc(NC(=O)OC(C)C)cc1,CID186315,,,,,,0.0,,,,,,,,,,,
C=CCNS(=O)(=O)c1ccc(OCC(=O)OCC)cc1,CID2194008,,,0.0,0.0,,,,0.0,0.0,,,,,,,0.0,
CC(C)Oc1ccc(NC(=O)CCC(=O)O)cc1,CID731115,,,,,,,,,,,,0.0,,,,,
CCCCCOC(=O)NCC(O)c1ccccc1,CID2841235,,,,0.0,,0.0,,,,,,,,,,,0.0
COCC(=O)Nc1cc(Cl)c(OC)cc1OC,CID836298,,,,,,,,,,,,,,0.0,,,
Cc1cc(C(C)(C)C)cc(S(=O)(=O)NCC(=O)O)c1C,CID757392,,,0.0,,,,,,0.0,,,,0.0,,,,
COC(=O)C(NC(=O)C(NC(=O)c1ccccc1)C(C)C)C(C)C,CID2956182,,,,0.0,,,,,,0.0,,,,,,,
C=CCc1ccccc1OCC(O)CNC,CID650108,,,,,0.0,,,0.0,,,0.0,,0.0,,0.0,0.0,
COCCCNC(=O)Cc1ccccc1OC,CID2262698,,,,,,,,,,0.0,,,,,,,
Cc1cc(OCC(=O)NC(C)C)cc(C)c1Br,CID848197,,,,,,,,,,,,,,,0.0,,
CCCCC(=O)Nc1ccc(Br)cc1C(=O)O,CID2282660,0.0,,,,,,,,0.0,,,0.0,,,,,
CCN(CC)S(=O)(=O)c1ccc(OC)c(N)c1,CID66804,,,,,,,,,,,,,,0.0,,,
COc1cc(OC)c(Cl)cc1N,CID66807,,,,,,,,,0.0,,,,,,,,
CCOc1ccc(C(=O)NCCCN(CC)CC)cc1,CID559920,,,0.0,0.0,,,0.0,0.0,,,,,,,,0.0,
CNC(=O)Nc1ccccc1F,CID676515,,,,,,,,,,,0.0,,,,,,
CN(C)CCNC(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)O,CID2958039,,,,,,,,,,0.0,,,,,,,
CCN(CC(=O)NC(C)C)C(=O)C(CCSC)NC(=O)c1cccc(C)c1,CID4880702,,,,,,,,,,,,,,,0.0,,
CN(C)CCCNC(=O)Cc1ccc(Br)cc1,CID654054,0.0,,,,,,,,,,,,,,,0.0,
COC(=O)c1c(F)c(F)c(NCCO)c(F)c1F,CID2055719,,,,,,,,,0.0,,,0.0,,,,,
C=CCNC(=O)C(C)Sc1ccc(Cl)cc1,CID2889882,,,,,,,,,,0.0,,,,0.0,,,
CCOCCCNC(=O)CCNC(=O)c1cc(OC)c(OC)c(OC)c1,CID3242063,,0.0,,,,0.0,,0.0,,,,0.0,0.0,,,,0.0
CN(C)C(=O)COC(=O)c1cc(Cl)cc(Cl)c1N,CID2436981,,,,,,,,,,,,,,,0.0,,
CCOCCCNC(=O)CN(Cc1ccc(Cl)cc1)S(C)(=O)=O,CID2238584,,,,,,,,,,0.0,,,,,,,
Cc1ccc(S(=O)(=O)NC(CC(N)=O)C(=O)O)cc1,CID319319,,,,,,,,,,,,,,0.0,,,
C/C(NCC(C)(C)CN(C)C)=C(/C#N)C(=O)NCc1ccccc1,CID658678,,,,0.0,,,,0.0,,,0.0,,,,,,
O=C(O)COc1ccc(Br)cc1/C=N/O,CID887160,0.0,,,,,,0.0,,,,,0.0,,,,0.0,0.0
CCCNS(=O)(=O)c1cc(Cl)ccc1OC,CID2234484,,,,,,,,,,,,,,0.0,,,
COC(=O)C(C)NC(=O)Nc1cccc(C(F)(F)F)c1,CID664221,,,,,,,,,0.0,,,0.0,,,,,
CCC(C)C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC,CID3140482,,,,,,,,,,0.0,0.0,,,,,,
CC(C)(C)C(=O)NC(=S)Nc1ccccc1F,CID802282,,,,,,,,,,,,,,,0.0,,
CC(=O)NC(C)Cc1ccccc1,CID26660,,,,,,,,,,,0.0,,,,,,
CCOC(=O)CC(=O)Nc1ccccc1C(=O)O,CID789843,,,,,,,,,,,,,0.0,,,0.0,
CCCCN(C(=O)NC(=O)Nc1cc(C)ccc1C)S(C)(=O)=O,CID2997737,,,,,,,,0.0,,,,,0.0,,,,
CCCOC(=O)c1ccc(NC(=O)COC)cc1,CID2165391,,,,,,,,,,,,,,,0.0,,
CC(C)(C)NCCCCOc1ccc(F)cc1,CID2053885,,,,,,0.0,,,,,,,0.0,,,,
COCCNC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1,CID2301203,,,,,,,,,,,,,,0.0,,0.0,
COc1ccc(S(=O)(=O)NC(C(C)C)C(C)C)cc1OC,CID848373,,,,0.0,,,,0.0,,,,,,,,,
CC(C)c1ccccc1OCCCCCNCCO,CID2249073,,,,,,,0.0,,,0.0,,,0.0,,,,
CCCCC(CC)C(=O)NCc1ccccc1OC,CID647967,,,,,,0.0,,0.0,,,,,,,,0.0,
CCOc1ccc(N(CC(=O)NCCCOC)S(C)(=O)=O)cc1,CID2260858,,,,,,,,0.0,,,,,,,,0.0,
CCOCC(=O)Nc1ccc(C)c(Cl)c1,CID1731787,,,,,,,,,,0.0,0.0,,,0.0,,,
CCOCC(=O)Nc1cc(Cl)ccc1C,CID1731788,,,,,,,,,,,,,,0.0,,,
CNC(=O)/C(C#N)=C/c1c(F)cccc1Cl,CID6105182,,,,,,,,,,,,,,0.0,,,
CCCN(CCC)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1,CID896369,,,,,0.0,,,,,0.0,,,,0.0,,,
COc1cccc(OCC(O)CO)c1,CID86515,,,,,0.0,,0.0,,,,,,,,,,
COC(=O)C(C)(C)ONC(=O)Nc1ccc(C)cc1,CID5119104,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(S(=O)(=O)NCCOC)cc1C,CID2224391,,,,,,,,,0.0,,,,,,,,
O=C(O)CCCC(=O)Nc1ccccc1Br,CID762581,0.0,,,,,,,,,,,0.0,,,,,0.0
COc1ccc(NC(=O)CC(C)C)c([N+](=O)[O-])c1,CID2889028,,,,,,0.0,,,,,,,,,,,
Cc1cc(Cl)ccc1OCC(=O)OC(C)C(=O)N(C)C,CID658406,,,,0.0,,,,,,,,,,,,,
O=C(/C=N/O)NCCCNCc1ccccc1,CID6419295,,0.0,,0.0,,,,,,,0.0,,,,,,
COC(=O)NCc1ccc(CNC(=O)OC)cc1,CID3237350,,0.0,0.0,0.0,,0.0,,,0.0,,,,0.0,,,0.0,
N#Cc1ccc(CSCC(=O)O)cc1,CID802613,,,,,,,,,,,,,,,,,0.0
CC(=O)NCCC(=O)Nc1ccc(C)c(F)c1,CID2529616,,,,0.0,,,0.0,,,,,,,,,,
CC(=O)Nc1cc(C(C)C)c(O)c(C(C)C)c1,CID835028,,,,,,,,,,0.0,,,,,,,
COc1ccc(/C=C/C(=O)NC(CCSC)C(=O)O)cc1,CID5930436,,,,,,,,,,,,,,0.0,,,
COC(=O)C(CCSC)NC(=O)NCc1ccc(F)cc1,CID2007728,,,,,,,,,,0.0,,,,,,,
CCOC(=O)CC(=O)Nc1c(C)cc(C)cc1C,CID1379455,,,,,,,,0.0,,,,,,,,,
CCCOc1ccc(C(=O)NCCO)cc1,CID2198178,,,,,,,,,,,0.0,0.0,,,0.0,,
COC(=O)NNC(=O)c1cccc(C)c1,CID729857,,,,,,,,,,,,0.0,,,,,
C=CCNC(NC(=O)c1ccccc1)(C(=O)OCC)C(F)(F)F,CID667373,,,,0.0,,,,,,,,,,,,,
CN(C)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O,CID973962,,,,,,,,,,,,,,,,,0.0
CCN(CC)CCCNC(=O)c1ccccc1C,CID2057605,,,,,,0.0,0.0,,,,0.0,0.0,,,,,
COCC(=O)Nc1ccc(C(C)C)cc1,CID755292,,,,,,,,,,,,,,,0.0,,
CS(=O)(=O)c1ccc(N)cc1,CID79617,,,,,0.0,,,,,,,,,,,,
COc1ccccc1NC(=O)NCCCl,CID3101693,,,,,,,,,,0.0,,,,,0.0,,
CC(C)CCNC(=S)Nc1ccccc1F,CID895772,,,,,,,,,,,,,,,0.0,,
CCC(CCC(=O)Nc1cccc(C(=O)O)c1)C(=O)O,CID3237482,,,,0.0,,,,0.0,0.0,,,,,,,,
COc1ccc(/C=C/C(=O)OCC(=O)NC(=O)NC(C)(C)C)cc1,CID2489695,,,,,,,,,,,,,,,0.0,,
C/C(=N\NS(C)(=O)=O)c1ccccc1,CID868497,,,,,,,,,,0.0,,,,0.0,0.0,,
CCCC(=O)NC(=S)Nc1cccc(C(C)=O)c1,CID823799,,,,,,,,,,,,0.0,,,,,
CN(C)CCCOC(=O)c1ccc(Cl)cc1,CID1601737,0.0,0.0,,0.0,,,,,,0.0,,,,,,,0.0
CCOc1ccc(OCCCC(=O)O)cc1,CID2392387,,,,,,,,,,,,,,0.0,,,
Cc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)NCCO,CID1601190,,,,,,,,,,,,0.0,,,,,
Cc1cccc(C)c1NC(=O)CSCC(=O)O,CID804304,,0.0,,,0.0,,0.0,,0.0,,,,,,,,
C#CCOC(=O)c1ccccc1C(=O)O,CID1788068,,,,,,,,,,,,,,0.0,0.0,,
CN(C)CCNC(=S)Nc1ccc(Br)cc1,CID892762,,,,,,,,,,,,,,0.0,,,
CC(C)NC(=O)c1ccc(CNC(=O)OCC(F)(F)F)cc1,CID2767948,,,,,,,,,0.0,,,,,,,,
COc1ccc(C)cc1C(=O)CCC(=O)O,CID298912,,,,,,0.0,,,,,,,,,,,
CCC(C)NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1,CID3244113,,,,,,,,,,,,,,,,0.0,0.0
CCCCN(C(=O)NC(=O)Nc1c(C)cc(C)cc1C)S(C)(=O)=O,CID2333315,,,0.0,0.0,,,,,,0.0,,,,,,0.0,
CCN(CC)C(=O)Oc1ccc(NC(C)=O)cc1,CID735614,,,,,,,,,,,,,,,,0.0,
CSc1ccc(NC(=O)CC(C)=O)cc1,CID765667,,,,,0.0,,,,,,,,0.0,,,0.0,
C#CCOC(=O)c1ccccc1C(=O)OCC#C,CID660046,,,0.0,,,0.0,,0.0,0.0,,,,0.0,,,0.0,
CCCOC(=O)c1cccc(NC(=O)C(C)(C)C)c1,CID2789634,,,,,,,,,,,,,,,,0.0,
CCCCCCNS(=O)(=O)c1ccc(OC)c(OC)c1,CID3243273,,,,0.0,,,,,,,,,0.0,,,,
COc1ccc(CSCC(=O)NCCC(C)C)cc1,CID2213542,,,,,,,,,,,,,,,0.0,,
CCCCCCCC(=O)NC(Oc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl,CID2833371,,,,,,,,,,,,0.0,,,,,
CCC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)O,CID2997587,,,,0.0,,,,,,0.0,,,,,,,0.0
CC(C)CCCC(C)NS(=O)(=O)Cc1ccccc1,CID2915412,,,,,,,,,,,,,,,0.0,,
CCOC(=O)Nc1cccc(Cl)c1C,CID692177,0.0,,,,,,,,,,,,,0.0,,,
CCNC(=O)COc1ccc(Br)cc1Cl,CID965234,,,,,,,,,,,,,,,,,0.0
Cc1ccc(NCC(O)C(O)C(O)CO)cc1C,CID95552,,,,0.0,0.0,,,,,,,,,,,,
CCOC(=O)N(C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,CID653465,,,,,,,,,0.0,,,,,,,,0.0
CC(C)CCNC(=O)C(NC(=O)c1c(F)cccc1F)C(C)C,CID2406093,,,,,,,,,,,,,,,0.0,,
CCCOC(=O)Nc1ccc(C(N)=O)cc1,CID1586065,,,0.0,,0.0,,0.0,0.0,,,,0.0,,,,,
CCCOC(=O)Nc1ccccc1C(N)=O,CID1586062,,,,0.0,0.0,,,,,,,0.0,0.0,,,,
CCCCc1ccc(C(=O)NC(C(=O)O)C(C)C)cc1,CID2957235,,,,,,,,,,,,,,,,0.0,
COc1cc(CN/C(C)=C(\C#N)C(N)=O)cc(OC)c1OC,CID3236465,,,,,0.0,,,0.0,,,,,0.0,,,,
COCCNC(=O)COc1ccc(C)cc1C,CID2177231,,,,,,,,,,0.0,,,,,,,
Cc1ccccc1OCCCCCNCCO,CID2250943,,0.0,,0.0,,,0.0,,,,,,,,,,
COC(=O)C(C)NC(=O)Nc1ccc(C)c(C)c1,CID664176,,,,0.0,,,0.0,0.0,,0.0,,,,,,0.0,
CC(C)CC(=O)Nc1ccc(F)c(Cl)c1,CID849199,,,,0.0,,,,,,,,,,0.0,,,0.0
CCCCOCCCNC(=O)c1ccc(OCC)cc1,CID2287290,,,,,,0.0,,,,,,,,,,,
CC(=O)OC(C)C(=O)NS(=O)(=O)c1ccc(C)cc1,CID2905904,,,,,,,,,,,,,,,0.0,,
Cc1ccc(CSCCNS(C)(=O)=O)cc1,CID2899521,,,0.0,,,,0.0,,,,,,,0.0,,,
O=C(O)/C=C\C(=O)Nc1ccccc1F,CID1581622,,,,,,,,,,,,,,,0.0,,
C=CCNC(=O)CCCOc1ccc(C)cc1,CID1565361,,,,,,,,,,0.0,,,,0.0,,,
CC(C)(C)CC(=O)NCc1ccc(F)cc1,CID803184,,,,,,0.0,,,,0.0,,,,,,,
Cc1cccc(OCCCCCNCCO)c1,CID2251566,,0.0,,0.0,,0.0,,,,0.0,,,0.0,,,0.0,
CC(=O)c1cccc(NC(=O)NCCS(C)=O)c1,CID647444,,0.0,,,,,,,,,,,,,,,0.0
COc1cc(N(C)C)c(NC(C)=O)cc1C(=O)O,CID746910,,0.0,,,,,,,,0.0,,0.0,,,,0.0,
CCOCCCNC(=O)C(NC(=O)CNC(C)=O)c1ccc(Cl)cc1,CID3238377,,,,,,,,,,,,,0.0,,,,
COc1cc(S(=O)(=O)N(C)C)ccc1Br,CID935668,,,,,,,,,0.0,,,,,0.0,0.0,,
COC(=O)c1cccc(OC(N)=O)c1,CID795113,,,0.0,,0.0,,,,,,,,,,,0.0,
CC(C)c1cc(NC(=O)C(C)(C)C)cc(C(C)C)c1O,CID705477,,,,,,,,,,0.0,,,,,0.0,0.0,
CCCCCNC(=O)C(C)Sc1ccc(Cl)cc1,CID2954807,,,,,,,,,,0.0,,,,,,,
COCCNC(=O)C(=O)N/N=C/c1ccccc1C(F)(F)F,CID3117762,,,,,,,,,0.0,,,,,,,,
CC(=O)Nc1ccc(Cl)c(C(N)=O)c1,CID793682,,,,,,,,,,,,0.0,0.0,,,,
C=CCNS(=O)(=O)c1cc(S(=O)(=O)NCC=C)c(OC)cc1OC,CID4919363,,,,,,,,,,,,,,0.0,,,
C/C=C/C=[N+](\[O-])C(C)/C(=N\O)c1ccc(F)cc1,CID5771407,,,,,,,,0.0,,,,,,,,,
CS(=O)(=O)NCCSCc1ccccc1,CID2197817,,,,,,,0.0,,,0.0,,,,,,,
CCCOc1ccc(NC(N)=O)cc1OCCC,CID2125357,,,0.0,,,,0.0,0.0,,,,,,,,,
COC(=O)CNC(=O)c1ccccc1C,CID669124,,,,,,0.0,,,,,,,,,,,
CC(C)/N=C(\NC#N)SCc1ccc(F)cc1,CID660446,,0.0,,,,,,,,,,,,,,0.0,
CCOC(=O)C(CCCOc1ccc(C(C)CC)cc1)C(=O)OCC,CID2923067,,,,,,0.0,,,,,,,,,,,
CCCCOCCCNC(=O)Cc1ccccc1OC,CID2164684,,,,,,,,0.0,,,,,,,,0.0,
Cc1ccc(C)c(S(=O)(=O)NC(CC(C)C)C(=O)O)c1,CID3239032,,0.0,,,,,,,0.0,,,,,,,,
CCCCc1ccc(NC(=O)NC(C(=O)O)C(C)CC)cc1,CID664730,,,,,,,,,,0.0,,,0.0,,,,
CC(C)NC(=O)CC(=O)N/N=C/c1ccc(Br)cc1,CID2248404,,,,,,,,,,,,0.0,,,,,
CC(O)CN(Cc1cccc(Cl)c1)CC(C)O,CID2845811,,,,,,,,,,,,,,,,,0.0
Cc1ccc(OCC(=O)NCCO)cc1C,CID2288052,,,,,0.0,,,,,,,,,,,0.0,
C=CCN(Cc1cc(OC)ccc1OC)S(=O)(=O)N(C)C,CID665815,0.0,,,0.0,,,0.0,,,0.0,,,,,,,
CCN(CC)CCNC(=O)c1ccc(NC(C)=O)cc1,CID4342,,0.0,,0.0,,,,0.0,,,,,,,,,0.0
CN(CCC#N)C(=O)COC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1,CID2114721,,,,,,,,,,,,,,,,0.0,
CCCOc1ccc(Br)cc1/C=N/O,CID2168151,,,,,,,,,,,,0.0,,,,,
COc1ccc(Cl)c(NCCC(=O)O)c1,CID771649,,0.0,,,,,,,,0.0,,,,0.0,,,
CCCNC(=O)/C=C/c1ccc(C(C)C)cc1,CID6159715,,,,,,,,,,,,,,,0.0,,
CCCCNC(=O)/C=C/c1ccc(OC)c(Br)c1,CID1591371,,,,,,,,,,,,0.0,,,,,
COCCCNC(=O)c1cccc(C(=O)NCCCOC)c1,CID2164349,,,,,,,,0.0,,,,,,,,,
NS(=O)(=O)c1ccc(NC(=O)CCCC(=O)O)cc1,CID733060,,,,,,,,,,,,,,0.0,,,
CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)O)cc1,CID3090413,,,,,,,,,0.0,,,,,,,,
O=C(/C=N/O)Nc1ccccc1C(=O)O,CID6400286,,,,,,,,0.0,,,,,0.0,,,,
CCN(CC)C(=O)CNC(=O)Cc1ccc(Cl)cc1,CID2233184,,,,,,,,,,0.0,,,,,,,
CC(C)c1ccccc1NC(=O)CCCC(=O)O,CID844858,,,,,,,,0.0,,,,,0.0,,,,
CC(C)(C)c1ccc(S(=O)(=O)/C=C/C#N)cc1,CID5353432,,,,,,,,0.0,,,,,,,,,
COC(=O)COc1cc(Cl)c(C=O)cc1OC,CID890228,,,,,,,,,,,,,,0.0,,,
CC(C)/N=C(\NC#N)SCc1ccccc1F,CID660679,,0.0,,,,,,,,,,,,,,0.0,
Cc1ccc(S(=O)(=O)NCCC(=O)O)cc1,CID266802,,,,,,,,,0.0,,,,,,,,
CC(=O)NCCSC(=O)c1ccc(F)cc1,CID2245986,,,,,0.0,,,,,,,,,,,,
COC(=O)c1cc(Cl)c(N)cc1OC,CID700493,,,,,,,,,,0.0,,,,,,,
COc1c(C(C)C)cc(NC(C)=O)cc1C(C)C,CID705509,,,,,,,,,,,0.0,,,,,,
CC(=O)Nc1cccc(NS(C)(=O)=O)c1,CID747021,,,,,0.0,,0.0,,,,,,,,,,
COCCNCc1ccccc1,CID2396989,,,,,,,,,,,,0.0,,,,,
CCNC(=O)NC(=O)C(C)OC(=O)c1ccc(SC)cc1OC,CID3665290,,,,,,,,,,,,,,,0.0,,
CC(C)(/C=N/NC(=O)CSCc1ccc(Cl)cc1)CCC#N,CID3110534,,,,,,,,,,,,,,0.0,,,
N#CCSCC(=O)Nc1ccccc1,CID1642466,,,,0.0,0.0,,,,,,,,,,,,
CCCCCCOC(=O)c1ccccc1NC(=O)/C=C/C(=O)O,CID5717622,,,,,,0.0,,,,,,,,,,,
CCOC(=O)CNC(=O)CNC(=O)c1ccc(OCC(C)C)cc1,CID659432,,,,0.0,,,,0.0,,,,,,,,,
Cc1ccc(C)c(N(CC(=O)N(C)C)S(C)(=O)=O)c1,CID846735,,,,,,,,0.0,,,,,,,,,
CCOC(=O)CCCNC(=O)COC(=O)c1cc(C)cc(C)c1,CID2431540,,0.0,0.0,,,,,0.0,,,0.0,,0.0,,,,
CCOC(=O)C(=CNc1cc(C)ccc1C)C(=O)OCC,CID2728229,,,,,,0.0,,,,,,,,,,,
COc1ccccc1OC(C)C(=O)O,CID202020,,,0.0,,,,,0.0,,,,,0.0,0.0,,,
COc1cccc(OCCOCCNCCO)c1,CID2280443,,0.0,,0.0,0.0,,0.0,0.0,,,,,0.0,,,,
COCCCNC(=O)c1ccc(C(=O)NCCCOC)cc1,CID272217,,,,,,,,,,,0.0,,,,,0.0,
Cc1ccccc1NC(=O)CSC(N)=O,CID224667,,,,,0.0,,,,,,,,,,,,
C/C(N)=C(/C#N)C(=O)COC(=O)C(NS(=O)(=O)c1ccc(Cl)cc1)C(C)O,CID5742582,,,,,,,0.0,,,,,,,,,0.0,
CC(C)(C)NC(=O)NC(=O)COC(=O)CNS(=O)(=O)/C=C/c1ccccc1,CID2483257,,,,,,,,,,,,,,,0.0,,
CCN(CC)CCNC(=S)Nc1ccc(F)cc1,CID2162127,,,,,,,,,,,,,,,0.0,,
COCCCNC(=O)C(=O)NCCc1ccc(OC)c(OC)c1,CID2273921,,,,,,0.0,,,,,,,,,,,
CCC(=O)Nc1ccc(OC)cc1OC,CID699704,,0.0,,,,,,,,,,,0.0,,,0.0,
CCOC(=O)CC(=O)CSCC(=O)Nc1ccc(C)cc1,CID1832862,,,,,,,,,0.0,,,,,,0.0,,
CC(=O)SC(C)CC(=O)Nc1ccccc1,CID2828747,,,,,0.0,,,,,,,,,,,,
CCC(CC)NC(=O)COc1ccc(OC)cc1C=O,CID5141739,,,,,,,,,,,,,,,0.0,,
CC(C)OCC(O)CS(=O)(=O)Cc1ccccc1,CID2842815,,,,,,,,,0.0,,,,,,,,
CCOC(=O)c1ccc(NS(=O)(=O)CC)cc1,CID897495,,,0.0,,0.0,,,,0.0,,,,,,,0.0,
CCCCNC(=O)Nc1ccc(C(O)(C(=O)OCC)C(F)(F)F)cc1,CID659901,,,,,,,,,0.0,,,0.0,,,,,0.0
C=CCNC(=O)CCNS(=O)(=O)c1ccc(Br)cc1,CID3243366,0.0,,,,,,,,0.0,,,,,,,0.0,0.0
CCCNC(=O)c1ccc(Cl)c(Cl)c1,CID346715,,,,,,,,,,,,0.0,,,,,
COCC(=O)Nc1ccccc1C(=O)NC(C)C,CID971919,,,,,,,0.0,,,0.0,,,,,,0.0,
O=C(O)CCN(CCC(=O)O)c1ccccc1,CID658627,,,,,,,0.0,0.0,,,,,0.0,,,,
Cc1ccccc1NC(=O)CCC(=O)OCCCC(F)(F)C(F)(F)F,CID658622,,,,,,,,,0.0,,,,,,,,0.0
COC(=O)Nc1ccc(S(=O)(=O)N(C)CC(F)(F)C(F)F)cc1,CID2133909,,,,,,,,,0.0,,,,,,,,
CCN(CC)C(=S)NC(=O)c1cc(OC)c(OC)c(OC)c1,CID833415,,,,,,,,,,,,,,0.0,0.0,,
CCCCOCCCNC(=O)c1ccc(NC(C)=O)cc1,CID2287748,,,,,,,,0.0,,,,,,,,,
N#CCCN(CCC#N)C(=O)c1ccc(Cl)cc1,CID517879,,0.0,,,,,,,,0.0,,,,,,0.0,
COc1ccc(NC(=O)C(F)(OC)C(F)(F)F)c(OC)c1,CID3239578,,,,,,,,,0.0,,,,,,,,0.0
CSCCC(NC(=O)NCCc1ccc(F)cc1)C(=O)O,CID664276,,,0.0,,,,0.0,,,0.0,,,,,,,
CCCCNC(=O)C(=O)N/N=C/c1ccc(C(=O)OC)cc1,CID4689009,,,,,,,,,,,,,,0.0,,,
CCN(CC)c1ccc(/C=N\NC(N)=O)cc1,CID5337527,,,,,,0.0,,,,,,,,,,,
COC(=O)c1ccc(C(=O)OC)c(NC(=O)CCC(=O)O)c1,CID868621,,,0.0,,,,,0.0,,,,,,,,,
CCCCN(C(=O)NC(=O)Nc1ccccc1OC)S(C)(=O)=O,CID2323562,,,,,,,,0.0,,0.0,,,,,,0.0,
CCN(CC)C(=O)c1ccc(O)c(OC)c1,CID9363,,,0.0,,,,,,,0.0,,,,,,0.0,
CCOC(=O)/C(C#N)=C\c1c(C)c(C)c(/C=C(/C#N)C(=O)OCC)c(C)c1C,CID2172681,,,,,,0.0,,,,,,,,,,,
C=CCNS(=O)(=O)c1ccc(OCC(=O)OC)cc1,CID2194474,,0.0,0.0,,,,,,0.0,,,,,,,,
CC(C)(C)NC(=O)NC(=O)COC(=O)c1cccc(F)c1,CID2536269,,,,,,,,,,,,,,,0.0,,
COC(=O)C(C)(C)ONC(=O)Nc1ccc(Br)cc1,CID2317309,,,,,,,,,,,,,,0.0,,,
COC(=O)C(NC(C)=O)(Nc1ccc(Br)cc1)C(=O)OC,CID658978,,,,,,,,,0.0,,,0.0,,,,,
CCOC(=O)C(=CN(CCc1ccccc1)CC(=O)OC)C(=O)OCC,CID5461706,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1CC(CC(=O)O)C(=O)O,CID277927,,,,,,0.0,,,,,,,,,,,
CCC(CC)C(=O)NCc1ccccc1OC,CID795779,,,,,,,0.0,,,,,,0.0,0.0,,0.0,
O=C(O)c1ccccc1S,CID5443,,,,,,,0.0,,,,,,,,,,
CC(C)(C)CC(=O)NC(=S)NCc1ccccc1,CID1572933,,,,,,,,,,,,,,,0.0,,
CCN(CC)CC(O)COc1ccccc1,CID242285,,,,,,0.0,,,,,,,,,,,
N#CCCN(CCC#N)C(=O)COc1ccc(Cl)cc1Cl,CID2208998,,,,,,,,,0.0,,,,,,,,
O=C(O)c1cccc(COCC(F)(F)C(F)F)c1,CID890988,,,,,,,,,0.0,,,,,,,,0.0
CCS(CC)=NS(=O)(=O)c1ccc(NC(C)=O)cc1,CID264199,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C(N)=S)c(C)c1,CID2517680,,0.0,,,0.0,,,,,,,,,,,,
O=C(/C=C(/NCCO)C(F)(F)F)c1ccccc1,CID5389158,,,,,,,,,,,,,,,,,0.0
CCN(CC(=O)NC(C)C)C(=O)CCNC(=O)c1ccc(Cl)cc1,CID2541236,,0.0,,,,,0.0,,,0.0,,,,,0.0,0.0,
CCCCCOc1ccc(C(=O)NC(CCC)C(=O)O)cc1,CID659701,,,,,,,,,,,,,0.0,0.0,,,
CCCNC(=O)c1ccccc1C(=O)NCCC,CID2304653,,,,,,,0.0,0.0,,,,,,,,,
NC(=O)CC(NC(=O)OCc1ccccc1)C(=O)O,CID246565,,,,,0.0,,,0.0,,,,,0.0,,,,
CCOC(=O)C(Cc1ccccc1)NC(C)=O,CID600541,,,,,,,,,,0.0,,,,,,,
CC(=O)c1ccc(NC(=O)CCC(=O)OCC(F)(F)C(F)F)cc1,CID2245390,,,,,,,,,0.0,,,,,,,,0.0
CSCCC(NC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)O,CID664601,0.0,,,,0.0,,,,0.0,,,,,,,,0.0
Cc1cc(C)cc(OCCCCCNCCO)c1,CID2249966,,,,,,,,,,0.0,0.0,,,,,,
COc1cc(Br)c(CC(=O)O)cc1OC,CID138324,0.0,,,,,,,,,,,,,,,,0.0
COCC(=O)Nc1cc(Cl)ccc1C,CID795634,,,,,,,,,,,,,,0.0,,,
COCC(C)NC(=O)c1ccc(Cl)c(Cl)c1,CID2904424,,,,,,,,,,0.0,,,,,,,
CSCCNC(=O)c1cccc(Cl)c1,CID2193398,,,,,,,,,,,,,,0.0,,,
COc1ccccc1OCCC(=O)OCC(=O)NC(=O)NC(C)(C)C,CID2432250,,,0.0,,,,,,,,,,,,,,
Cc1ccc(NC(=O)CCC(=O)OCCCC(F)(F)C(F)(F)F)cc1,CID3236786,,,,,,,,,,,,,,,,,0.0
CC(C)OC(=O)NCCOC(=O)Nc1cccc(Cl)c1,CID656183,0.0,,,0.0,,,0.0,,,0.0,,,0.0,,,0.0,0.0
CC(C)=CC(=O)Nc1ccc(Br)cc1,CID532095,0.0,,,,,,,,,,,0.0,,,,0.0,0.0
CCOC(=O)CCCNC(=O)CCNC(=O)c1ccc(OC(C)C)cc1,CID2846938,,,0.0,,,,,,,,,,0.0,,,,0.0
CCc1ccccc1NC(=O)NC(C(=O)O)C(C)C,CID939654,,,,,,,,,,0.0,0.0,,,,,,
CN(C)/C=N/C(=S)Nc1ccc(F)cc1,CID2766535,,,,,,,,,,,0.0,,,,,,
CC(C)Oc1cccc(C(=O)O)c1,CID586709,,,,,,,0.0,,0.0,,,,,,,,
COCCCNC(=O)/C=C/c1ccc(Cl)cc1,CID2251334,,,,,,,,,,,,,,0.0,,,
CCCCC(=O)NC(=S)NNC(=O)c1ccc(OC)cc1,CID2224066,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(C(F)(F)F)cc1NC(C)=O,CID685244,,,,,,,,,0.0,,,,,,,,0.0
CCOC(=O)N/N=C(\C)c1ccc(Br)cc1,CID2739335,,,,,,,,,,,,0.0,,,,,
OCCNc1ccc(Cl)cc1,CID587825,,,,0.0,,,,,,,,,,,,,
CC(C)(C)SCCNC(=O)COc1ccccc1,CID2269123,,,,,0.0,,0.0,,,0.0,,,,,,,
COC(=O)c1ccccc1N(C)S(C)(=O)=O,CID720628,,,,,,,0.0,0.0,0.0,,,,,,,,
COC(=O)COC(=O)CC(CC(N)=O)c1ccccc1,CID2910341,,,,,0.0,,,,,,,,,,,0.0,0.0
CCc1cccc(C)c1NC(=O)CCCC(=O)O,CID710737,,,,,,,,,,,,,0.0,,,0.0,0.0
CC(C)NC(=O)COC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1,CID2453772,,,,,,,,,,,,,,,0.0,,
CC(C)(NCc1ccccc1Cl)C(=O)O,CID3235955,,,,0.0,,,,,,,,,,,,,0.0
CN(C)C(=O)COC(=O)/C=C/c1ccccc1[N+](=O)[O-],CID2445886,,,,,,,,,0.0,,,,,,0.0,,
NC(=O)c1ccc(F)cc1,CID71572,,,,0.0,,,,0.0,,,,,,,,,
COc1cc(CO)cc(Br)c1OCC(=O)O,CID900384,,,,,,,,,,,,0.0,,,,,0.0
CCOC(=O)CCNC(=O)CNC(=O)OCc1ccccc1,CID3245162,,,,,0.0,,,,,,,,0.0,,,,
CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl,CID891386,,,,,,,,,,,,,0.0,,,,
CCOc1ccc(C(=O)CSCC(=O)O)cc1,CID1548597,,,,,,,,,,,,,,0.0,,,
CCC(C)C(NC(=O)NCc1ccccc1Cl)C(=O)OC,CID663524,0.0,0.0,,,,,,,,,,,,,,,0.0
C=CCN(CC=C)C(=S)NC(=O)c1ccc(OC)c(Br)c1,CID1791961,,,,,,,,,,,,,,0.0,,,
C=CCN(CC=C)C(=S)NC(=O)c1ccc(C)c(Br)c1,CID1791967,,,,,,,,,,,,,,0.0,,,
O=C(O)CC(Cc1ccc(Br)cc1)C(=O)O,CID3091372,,,,,,,,,,,,,,,,,0.0
CCOC(=O)C(NC(C)=O)(NS(=O)(=O)c1ccccc1)C(F)(F)F,CID658093,,,,,,,,,,0.0,,0.0,,,,,
CCOc1ccc(CSC(CC(=O)O)C(=O)O)cc1,CID659321,,,,,,,,0.0,0.0,,,0.0,0.0,,,,
OCCNCCCCCOc1ccc(F)cc1,CID1987882,,,,0.0,,,,,,,,,0.0,,,,
COc1ccc(OC)c(CC(=O)O)c1,CID74469,,,,,,,,,0.0,,,,0.0,0.0,,0.0,
COCCNS(=O)(=O)c1ccc(OCC(=O)OC)c(Cl)c1,CID2207174,,,0.0,,,,,,,,,,0.0,,,,
COCC(=O)Nc1cc(OC)cc(OC)c1,CID885906,,,,,,,,,,0.0,,,,,,,
CCOC(=O)NC(=O)/C(C#N)=C\c1ccccc1,CID1713819,,,,,,,,,,,,,,,0.0,,
COCCCNC(=O)CCS(=O)(=O)Cc1ccc(C)cc1,CID3236112,,,,,,,,0.0,,,,,,,,0.0,
CC(C)NC(=O)CC(=O)N/N=C/c1ccc(F)cc1,CID2251149,,,,,,0.0,,,,,,,,,,,
COC(=O)CCCCCNc1ccc(C(=O)OC)cc1N,CID660689,0.0,0.0,,,0.0,,0.0,0.0,,,,,0.0,,,,
CCOCC(=O)Nc1cccc(Br)c1,CID2162636,0.0,,,,,,,,,,,0.0,,,,,0.0
CC(=O)CCS(=O)(=O)c1ccc(C)c(C)c1,CID683678,,,0.0,,,,,,0.0,,,,,0.0,,,0.0
CCCCOC(=O)c1cccc(NC(=O)CC)c1,CID1591469,,,0.0,0.0,,,,,,0.0,,,,,,0.0,
C#CCOc1ccc(Br)cc1/C=N/O,CID2288214,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(C(=O)NC(C(=O)O)C(C)C)cc1,CID2302922,,,,,,0.0,,,,,,,,,,,
CC(O)CNc1cc(N)c([N+](=O)[O-])cc1[N+](=O)[O-],CID4198229,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC(=O)CCC(=O)O)cc1F,CID675801,,,,,,,0.0,,,,,,,,,,
CNC(=O)C(=O)NCCc1ccc(Cl)cc1,CID2266182,,,,,,,,,,0.0,,,,,,,
Cc1ccc(NS(=O)(=O)N(C)C)cc1,CID738302,,,,,,,,,,0.0,,,,,,,
COc1ccc([N+](=O)[O-])cc1N(CC(=O)NC(C(C)C)C(C)C)S(C)(=O)=O,CID2233291,,,,,,,,,,,,,,,0.0,,
CCOCC(O)CS(=O)Cc1ccccc1,CID3670604,,,0.0,,,,,,,,,,,,,,
CCOC(=O)c1cc(OCC(=O)NC(C)C(C)C)cc(C(=O)OCC)c1,CID2998984,,,0.0,,,,0.0,,,,,,,,,,
CCCC(NS(=O)(=O)c1ccc(Br)cc1)C(=O)O,CID2908542,,,,,,,,,0.0,,,,,,,,
CCOC(=O)C(CCCOc1cccc(OC)c1)C(=O)OCC,CID2232595,,,,,,,,,,,,,,,,0.0,
CCOc1ccc(C(=O)NCC(C)CN(C)C)cc1OCC,CID2949338,,,0.0,,,,,,,,,,,,,,
COC(=O)/C=C/S(=O)(=O)c1ccc(NC(C)=O)cc1,CID761471,,,,,,,,,0.0,,,,0.0,,,0.0,
CCOc1ccc(Cl)cc1/C=N/O,CID797867,,0.0,,,,,0.0,,,,,,,0.0,,,
CCOc1cc(C(=O)NCCOC)cc(OCC)c1OCC,CID2191433,,,,,,0.0,,,,,0.0,,,,,0.0,
CCC(=O)c1ccc(O)c(CC=C(C)C)c1,CID902152,,,,,,0.0,,,,,,,,,,,
CCC(C)C(NC(=O)Nc1ccc(C(C)=O)cc1)C(=O)OC,CID664498,,,0.0,,,,,,,0.0,,,0.0,,,,0.0
CC(=O)N(C)c1ccc(NC(=O)C(F)(F)F)cc1,CID691574,,,,,,,,,0.0,,,,,,,,
CCCCCCCCCCS(=O)(=O)N/N=C/c1ccccc1OC,CID3324503,,,,,,,,,,,,,,,0.0,,
CC(C)C(NC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)O,CID664828,,,,0.0,,,,,,,,,,,,,0.0
CC(C)c1ccc(C(N)=S)cc1,CID2078831,,,,,,,,,,,,,,,0.0,,
Cc1ccc(CS(=O)(=O)CCC(=O)NCCCOC(C)C)cc1,CID3240374,,,0.0,0.0,,,,0.0,,,,,,,,0.0,
CC(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)O,CID2929886,,,,,,0.0,,,,,,,,,,,
CCCC(C)C(=O)Nc1ccccc1C(=O)OCC,CID2889128,,,,,,,,,,0.0,,,,,0.0,,
Cc1ccc(NC(=O)CSCC#N)cc1,CID1947033,,,,,,,,,,,,0.0,,,,,
CC(C)OCCCNC(=O)CCSc1ccc(Cl)cc1,CID2207240,,,,,,,,,,0.0,,,,0.0,0.0,,
CCN(CC)C(=O)C(C)OC(=O)c1ccc(O)cc1,CID2900944,,,,,,,,,,,,,,,,0.0,
COC(=O)C(NC(=O)NCc1ccccc1Cl)C(C)C,CID664515,0.0,0.0,,,,,0.0,,,0.0,,,,,,0.0,
CCCC(NS(=O)(=O)c1ccc(OC)cc1)C(=O)O,CID3745781,,,,,,,,,,,,,0.0,,0.0,,
CCCCC(CC)C(=O)Nc1ccccc1C(=O)NC(C)C,CID2975057,,,,0.0,,,,,,,,,,,,,
CCCCCC(O)(CCCCC)C(=O)NNc1ccccc1,CID3799671,,,,,,,,,,,0.0,,,,,,
CCOC(=O)CC(=O)Nc1cc(Cl)ccc1O,CID3237544,,0.0,,,,,,,0.0,0.0,,,,,,,
COCCNC(=O)C(=O)N/N=C(\C)CC(=O)Nc1ccc(Cl)cc1Cl,CID4540841,,,,,,,,,,,,,,0.0,,,
CCOCCCNC(=O)COc1ccc(OC)cc1,CID2330209,,,,,,,,,,0.0,,,,,,,
COCCCNC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O,CID2271086,,0.0,,0.0,,,,,,,,,0.0,,,,
COc1ccc(C/C(N)=N/O)cc1,CID5356867,,,,,,,,,,,,,,,0.0,,
CCN(CC)CCCCCOc1ccccc1OC,CID2232417,,,,,,,,0.0,,,0.0,,,,,0.0,
CC(C)C(NC(=O)OCc1ccccc1)C(=O)NCC(=O)OC(C)(C)C,CID2884071,,,0.0,,,,0.0,,,,,,,,,,
COCC(=O)Nc1cccc(C(F)(F)F)c1,CID885723,,,,,,,,,0.0,,,,,,,,0.0
COc1ccc(S(=O)(=O)NCCC(C)C)cc1C,CID956299,,,,,,,,,,,0.0,,,,,,
CCCCN(CC)S(=O)(=O)c1ccccc1,CID2164635,,,,,,0.0,,,,,,,,,0.0,,
COC(=O)c1ccc(NS(=O)(=O)N(C)C)cc1,CID884458,,,0.0,0.0,,,0.0,,,,,,,,,,
COC(=O)C(NC(=O)Nc1ccc(OC(F)(F)F)cc1)C(C)C,CID664767,,,,,,,,,0.0,,,,,,,,
CCN(CC)C(=O)CS/C(=N\c1ccccc1F)NC#N,CID660825,,0.0,,,,,0.0,,,0.0,,0.0,,,,0.0,
CCOC(=O)C(=O)Nc1ccccc1C(=O)NC(C)C,CID2971816,,,,,,,,,,,,0.0,,,,,
CC/C(CC(C)(C)c1ccccc1)=N\O,CID874941,,,,,,,,0.0,,,,,,,,0.0,
COc1ccc(CNC(N)=O)cc1OC,CID1484507,,,,,,,,,,,,0.0,,,,,
COCC(C)NC(=O)c1ccc(N(C)C)cc1,CID2904147,,,,0.0,,,,0.0,,0.0,,,0.0,,,0.0,
O=C(O)CCCC(=O)Nc1ccccc1C(=O)O,CID657775,,,,0.0,,,,,,,0.0,,,,,,
Cc1cc(Br)cc(C)c1NC(=S)NC(=O)CC(C)C,CID823823,,,,,,,,,,,,0.0,,,,,
COC(=O)C(CCSC)NC(=O)Nc1ccc(C)cc1C,CID664048,,,0.0,,0.0,,0.0,,,,,,,,,0.0,
COC(=O)C(C)NC(=O)NCc1ccc(F)cc1,CID5389764,,,0.0,,,,,,,,,,,,,,
CCCCOCCCNC(=O)COc1ccccc1,CID2163961,,,0.0,,,,,,,,,,,0.0,,,
CCN(CC)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O,CID2222572,,,,0.0,,,,,,0.0,,,,,,0.0,0.0
COCCCNCCOc1cc(C(C)C)ccc1C,CID2299870,,,0.0,,,,,,0.0,,0.0,,,,,0.0,
CC/C(=N\O)c1ccc(OC)c(OC)c1,CID660811,,,,0.0,,,,,,0.0,,,,,0.0,,
COC(=O)CCC(=O)COc1ccc(OC)cc1C#N,CID660815,,,,,,0.0,0.0,0.0,,,,,0.0,,,0.0,
COC(=O)CCS(=O)(=O)c1ccc(Cl)cc1,CID759358,,,,,,,,,,0.0,,,,,,,
Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1,CID3463,,,,,,,,,0.0,,0.0,,,,0.0,0.0,
COc1cccc(OCC(=O)O)c1,CID74969,,,,,,,,,,,,,,0.0,,,
CSCCNC(=O)c1ccc(C(C)(C)C)cc1,CID2191502,,0.0,0.0,0.0,0.0,,,,,,,,,,,,
O=C(O)CCCSCC(=O)Nc1ccccc1,CID1811563,,,,,,,,,0.0,,,,,,,,
CC(/C=C/c1ccccc1)NC(N)=O,CID5310648,,,,,,,,0.0,,,,,,,,,
CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(C)=O)c1,CID894971,,,,,,,,,,,,,,0.0,,,
C=CC/N=C(\NC#N)SCc1ccccc1Cl,CID660766,,0.0,,,,,,,,,,,0.0,,,,
CCN(CC)C(=O)C(=O)Nc1cccc(Br)c1,CID2194105,,,,,,,,,,,,,,,0.0,,
COc1cc(CC(=O)O)ccc1O,CID1738,,,,,,,,0.0,,,,,,,,,
CCOC(=O)N/N=C/c1ccc(F)cc1,CID738515,,,,,,,,,,,,,,,0.0,,
CCOCC(=O)Nc1cccc(C(=O)OCC)c1,CID2162991,,,,,,,,,,,,,0.0,,,0.0,
C=C(C)CNC(=S)N/N=C/c1ccc([N+](=O)[O-])cc1,CID2370501,,,,,,,,,,,,,,,0.0,,
CC(NC(=O)Nc1ccc(O)cc1)(C(F)(F)F)C(F)(F)F,CID659522,,,,,,,,,,,,,,,,,0.0
N/C(COc1ccc(C(=O)O)cc1)=N\O,CID653428,,,,,,,0.0,,,,,,0.0,,,0.0,
CC(CCc1ccccc1)C(=O)NO,CID3787,,,,,,,,0.0,,,,,,,,,
Cc1ccc(S(=O)(=O)NC(=O)NC(C)(C)C)cc1,CID842481,,,,,,,0.0,,,,,,,,,,
COc1ccc(C(=O)/C=C(\N)C(F)(F)F)c(O)c1,CID872094,,,,,,,,,0.0,,,,,,,,0.0
COC(=O)CCC(=O)Nc1ccc(OC)cc1,CID726154,,0.0,,,,,,,,0.0,0.0,,0.0,,,0.0,
COC(=O)C(CCSC)NC(=O)Nc1ccc(C)cc1,CID663777,,,,0.0,0.0,,0.0,,,,,,,,0.0,,
CCCOC(=O)NC(CC)COC(=O)Nc1cc(C)ccc1C,CID3115353,,,,,,0.0,,0.0,,,,,,,,,
CSCCC(NC(N)=O)C(=O)N(C)CC(=O)Nc1ccc(C)cc1,CID2997797,,,,,,,,,,0.0,,,0.0,,,,
O=C(CCC(=O)OCCCC(F)(F)C(F)(F)F)Nc1ccccc1,CID1900661,,,,,,,,,0.0,,,,,,,,
COc1cc(OC)cc(C(C)=O)c1,CID95997,,,,,,,,,,,,,,,,,0.0
CC(=O)c1ccc(C(C)CCC(=O)O)cc1,CID2842940,,,,,,,,0.0,0.0,,,,,,,,
CCCC(=O)NCCc1ccc(F)cc1,CID773504,,,,,,,,,,,0.0,,,,,,
O=C(O)CCCC(=O)NCCCc1ccccc1,CID2164885,,,0.0,,,,,0.0,,,,,0.0,0.0,,0.0,
CCc1ccc(C(=O)NC(CCSC)C(=O)OC)cc1,CID4877140,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(CC(C(=O)NN)C(=O)NN)cc1CN(C)C,CID809610,,,,,,,,,,0.0,,,,,,,
CC(=O)Nc1cccc(NC=C(C#N)C#N)c1,CID2485677,,,,,,,,,,,,,,0.0,,,
CCC(CC)NC(=O)c1cc(OC)c(OC)c(OC)c1,CID2230942,,,,0.0,,,0.0,,,,,,,,,0.0,
O=C(NCc1ccccc1)NC(O)C(Cl)(Cl)Cl,CID3090383,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C(CC)/C(C)=N/NC(=O)c1ccccc1[N+](=O)[O-],CID2858115,,,,,,0.0,,,,,,,,,,,
CCCCNC(=O)c1ccccc1C(=O)NCCCC,CID2294629,,,,,,,0.0,0.0,,,,,,0.0,,,
CC(=O)Nc1ccc(C)cc1NC(C)=O,CID232061,,,,,,,,,0.0,,0.0,,,,,,
COC(=O)CCCC(=O)Nc1c(F)c(F)c(F)c(F)c1F,CID2189526,,,,,,,,,0.0,,,,,,,,
CC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1cc(C)ccc1C,CID4184652,,,,,,,0.0,,,,,,,,,,
COC(=O)c1ccccc1NC(=O)NC(C)C(=O)OC,CID5423722,,,,,,,,,0.0,,,,,,,,
Cc1ccc(OC(=O)CCC(=O)OCCCC(F)(F)C(F)(F)F)cc1,CID2232809,,,,,,,,,,,,,,,,,0.0
CCN(CC)S(=O)(=O)c1cc(F)ccc1OC,CID849995,,,,,,,,,,,0.0,,,0.0,,,
COc1ccc(C(CC(=O)O)NC(C)=O)cc1OC,CID3237429,,0.0,,,,,,0.0,,0.0,,,,,,0.0,
COC(=O)c1ccccc1CCC(C)=O,CID3237420,,,,,,,,,0.0,0.0,,,,,,0.0,0.0
C=CCNC(=O)Nc1ccc(OCC)cc1,CID2211776,,,,0.0,,,,0.0,,,,0.0,,,,0.0,
CS(=O)(=O)NCCCNc1ccc(Cl)cc1[N+](=O)[O-],CID604059,,,,,,,,,,,,0.0,,,,,
COc1cc(C(N)=O)cc(Br)c1OC,CID900808,0.0,,,,,,,,,,,0.0,,,,,0.0
CCOc1c(Br)cc(C(N)=O)cc1OC,CID900804,,,,,,,,,,,,0.0,,,,0.0,0.0
CCOc1cc(C(N)=O)cc(Br)c1OCC,CID900801,,,,,,,,,,,,0.0,,,,,
CS(=O)(=O)N(CC(N)=O)Cc1ccc(Cl)cc1,CID974017,,,,,,,0.0,,,0.0,,,0.0,,,,
COC(=O)C(NC(=O)Nc1cc(Cl)ccc1C)C(C)C,CID938943,,,,,,,,,,,,,,,0.0,,
Cc1ccccc1OC(=O)CCC(=O)OCCCC(F)(F)C(F)(F)F,CID2232750,,,,,,,,,,,,,,,,,0.0
O=C(O)CSCC(=O)NCc1ccccc1,CID648643,,,0.0,,0.0,,,,,,,,,,,,
O=C(NCCO)c1cccc(Cl)c1,CID2181761,,,,,,,,,,0.0,,,,,,,
CCC(CC)C(=O)Nc1ccccc1NC(C)=O,CID882150,,,,0.0,,0.0,0.0,,,,,,,,,0.0,
CCCNC(=O)COC(=O)c1cc(SC)ccc1Cl,CID2412900,,,,,,,,,,,,,,,0.0,,
COCC(=O)Nc1ccc(N(C)C)cc1,CID885686,,,,,,,,,,,,,,,,0.0,0.0
CCN(CC)C(=O)COc1ccc(Br)cc1Cl,CID885680,,,,,,,0.0,,,,,,,,,,
Cc1ccc(CNC(=O)CS(=O)(=O)CC(=O)O)cc1,CID3748673,,,,,,,,,,0.0,,,,0.0,,,
Cc1ccc(C(=O)NCCN(C)C)c(C)c1,CID925295,,,,,,,,,,,,0.0,,,,,
COc1ccc(CCNC(=O)NC(C(F)(F)F)C(F)(F)F)cc1OC,CID1926292,,,,,,,,,0.0,,,,,,,,0.0
CC(Oc1ccc(F)cc1)C(=O)NN,CID5013621,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C(O)(c1ccc(N)c(OC)c1)C(F)(F)F,CID657875,,,,0.0,,,,,0.0,,,,,,,,
CCOc1cc(CO)c(Br)cc1OCC(=O)O,CID894165,,,,,,,,,,,,0.0,,,,,
CCCN(CC(=O)Nc1c(C)cccc1CC)C(=O)SCC,CID1818703,,,,,,,,,,,,0.0,,,,,
C=CCN(CC(=O)Nc1c(C)cccc1CC)C(=O)SCCC,CID1818705,,,,,,,,,,,,0.0,,,,,
CCOc1ccc(/C(=N/O)C(C)NO)cc1,CID2916850,,,,0.0,,0.0,0.0,,,,,,,,,,
CCCC(=O)Nc1cc(OC)c(OC)cc1C(=O)O,CID879370,,,0.0,0.0,,,,,,,,,,,,,
C=CCNC(=S)NC(=O)c1ccc(C)c(Br)c1,CID2235302,,,,,,,,,,,,,,,0.0,,
COC(=O)CN(c1ccccc1C)S(C)(=O)=O,CID846612,,,,,,,,,,,,0.0,,,,,
CCCCC(=O)c1ccc(O)cc1,CID75766,,,,,,,,,0.0,,0.0,,,,,,
COCCNC(=O)CN(Cc1ccc(Cl)cc1)S(C)(=O)=O,CID2711993,,,,,,,,,,0.0,0.0,,,,,,
CCCC(C)C(=O)Nc1cccc(NC(C)=O)c1,CID2905732,,,,0.0,,,0.0,,,,,0.0,,,,,
CCOC(=O)/C(=C/Nc1ccccc1)[N+](=O)[O-],CID5200206,,,,,,,,,,0.0,,,,,,,
CCCC(C)NC(=O)c1ccc(OC)c([N+](=O)[O-])c1,CID2885972,,,,,,0.0,,,,,,,,,,,
CS(=O)(=O)NCCSCc1c(F)cccc1Cl,CID2175588,,,,,,,,,,,,,0.0,,,,
O=C(O)CCCNC(=O)OCc1ccccc1,CID21184,,,,,,,,,,0.0,,,,,,0.0,
COc1ccc(OC)c(NC(=O)C(CCS(C)(=O)=O)NC(C)=O)c1,CID3235880,,,,,,,,,,,,,,,,0.0,
CCCOC(=O)C(C(=O)OCCC)=C(N)NCc1ccccc1,CID2207880,0.0,,,,0.0,,0.0,,,,,,,,0.0,,
COCCCNC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O,CID651267,,,,0.0,,,,,,,,0.0,,,,,0.0
CN(C)CCCNS(=O)(=O)c1cc(Cl)ccc1Cl,CID661154,,,,,,,,,,,,0.0,,,,,
C/C(Nc1ccc(F)cc1)=C(/C#N)C(N)=O,CID662175,,0.0,,,,,,0.0,,,,,0.0,,,,
CCCCOc1ccc(C(CC(=O)NC)C(=O)O)cc1,CID3100384,,,,,,,,,,0.0,,,,0.0,,,
C=CCc1ccc(OCC(O)COCC)c(OC)c1,CID2867524,,,,0.0,,,,,,,,,,,,,0.0
COC(=O)CCS(=O)(=O)c1ccc(NC(C)=O)cc1,CID2054793,,,,,,,,,0.0,,,,,,,,
C=CCNC(=S)NNC(=O)c1ccc(OCC(C)C)cc1,CID1981692,,,,,,,,,,,,,,0.0,,,
COC(=O)CCC(=O)Nc1cccc(Cl)c1,CID647202,,0.0,,0.0,,,,,,0.0,,,,0.0,,,0.0
CCCCC(SCC(=O)Nc1ccccc1)C(=O)O,CID2964701,,,0.0,,,,0.0,,,,,,,,,,
COC(=O)C(C)NC(=O)Nc1ccc(S(N)(=O)=O)cc1,CID663863,,,,,,,,,,0.0,,,0.0,,,,
CC(C)(C#N)Nc1ccccc1,CID75128,,,,0.0,,,,,,,,,,,,,0.0
COC(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O,CID967559,,,,,,,,0.0,0.0,,,0.0,,,,0.0,
CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1,CID5505,,,,,,,,,,,,,0.0,,,,
CCC(CC)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CID219591,,,,,,,,,,,,,,,0.0,,
CCCCCCOc1ccc(/C(N)=N/O)cc1,CID5363804,,,,,,,,0.0,,,0.0,,,,,,
CC(=O)CC(C)(C)S(=O)(=O)c1ccc(NC(C)=O)cc1,CID536254,,,,,,,,,0.0,,0.0,0.0,,,,,
Cc1cccc(NC(=O)CSC(N)=O)c1C,CID2241158,,,,,0.0,,0.0,,,,,0.0,,,,,
CCNC(=S)NS(=O)(=O)c1ccc(CC)cc1,CID955779,,,,,,0.0,,,,,,,,,,,
COC(=O)C(C)NC(=O)Nc1ccc(OC)cc1OC,CID5389890,,,,0.0,,,,,,,,,,,,,
CC(C)NOC(=O)c1ccc(Cl)cc1,CID3442504,,,,,,,,,,,,,,0.0,,,
CCCCCNC(=O)C(C)NS(=O)(=O)c1ccc(OC)cc1,CID2967351,,,0.0,0.0,,,,0.0,,,,,,,,,
CC(C)C(NC(=O)NCCc1ccc(F)cc1)C(=O)O,CID664542,,0.0,,0.0,,0.0,,0.0,,,,,,,,,
CCOc1ccc(CC(C(N)=O)C(N)=O)cc1CN(C)C,CID915847,,,,,,,,,,,,0.0,,,,,
C=CCNC(=S)NNC(=O)c1ccc(OC(C)C)cc1,CID2210570,,,,,,,,,,,0.0,,,,,,
CC(C)CC(NC(=O)NCCc1ccc(Cl)cc1)C(=O)O,CID664939,0.0,,0.0,,,,,,,,0.0,,,,,0.0,0.0
CCOC(=O)C(=O)NC(C)c1ccccc1,CID3138898,,,,,,,,,,,,,,,0.0,,
CCc1ccccc1N(CC(=O)O)S(C)(=O)=O,CID846884,,,,,,,,,,,,,0.0,,,,
CCCNC(=O)c1ccc(SC)cc1OC,CID2271058,,0.0,,0.0,0.0,,,,,,,,,,,,
CCCCOc1ccccc1NC(=O)C=C(C)C,CID1643828,,,,,,,0.0,,,,0.0,,0.0,,,,
COC(=O)Nc1ccc(S(=O)(=O)N(CCO)CC(F)(F)C(F)F)cc1,CID3239700,,,,,,,,,,,,,,,,,0.0
COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCCOC(C)C)S(C)(=O)=O,CID2226542,,,,,,,,,,,,,,0.0,,,
CCCCNCCOCCOc1ccc(F)cc1,CID2280962,,,,,,0.0,,,0.0,,,,,,,,
O=C(CCC(=O)OCC(F)(F)C(F)F)NCc1ccccc1,CID2245385,,,,,,,,,0.0,,,,,,,,
CCCC(C)C(=O)Nc1ccc(F)c(Cl)c1,CID2905161,,,,,,,,,,,,,,0.0,,,
CCCC(=O)NNC(=O)Nc1ccccc1,CID1788575,,,,,,0.0,,,,,,0.0,,,,,
COCC(C)NS(=O)(=O)c1ccc(OC)cc1,CID2904487,,0.0,,0.0,,,,0.0,0.0,,,,,,,,
CCCN(CCO)CCCc1ccccc1,CID756834,,,,,,,,,,,0.0,0.0,,,,,
CC(C)(C)NCCCCOc1ccccc1F,CID2247152,,,,0.0,,,,,,0.0,0.0,,,,,,
CNC(=O)CC(C(=O)O)c1ccc(OC(C)C)cc1,CID659216,,0.0,,,,0.0,,0.0,,,,,0.0,,,0.0,
CCCCNC(=O)Nc1ccccc1C(=O)NCCC,CID3141998,,,,,,,,,,,0.0,,,,,,
CCN(CC)S(=O)(=O)c1cccc(C(=O)NC(C(=O)OCC(=O)NC(=O)NC)C(C)C)c1,CID9551990,,,,,,,,,,,0.0,,,,,,
CCCN(CCO)Cc1ccc(F)c(Br)c1,CID783443,,,,,,,,,,,,,,,,0.0,
COCCNS(=O)(=O)c1ccc(F)c(OC)c1,CID1818634,,,,,,,,,,0.0,,0.0,,,,,
CCCOc1cc(C)c(Cl)cc1S(=O)(=O)N(CC)CC,CID1818631,,,,,,,,,,0.0,,,,0.0,,,
O=C(NO)c1ccccc1O,CID66644,,,,,0.0,,,0.0,,0.0,,,,,,0.0,
CC(C)(C)NC(=O)C(=O)NNC(=O)c1ccccc1,CID3108504,,,,,,,,,,,,0.0,,,,,
COc1cc(C(=O)NCCCCCC(=O)O)cc(OC)c1OC,CID30627,,0.0,0.0,,,,,,,,,,,,,,
CCC(C)NC(=O)CSc1ccc(Cl)cc1,CID3139102,,,,,,,,,,0.0,,,,,,,
NC(=O)NOCc1ccccc1,CID231398,,,,,,,,,,,,,,,0.0,,
COc1cccc(C(N)CC(=O)O)c1,CID2764294,,,,,0.0,,,,,,,,,,,0.0,
Cc1ccc(Cl)c(OCC(O)CN(CCO)CCO)c1,CID660548,,,,,0.0,,0.0,,,,,,,,,,
CNC(=O)c1ccc(CNC(=O)OCC(F)(F)F)cc1,CID2767952,,,,,,,,,0.0,,,,,,,,
CSc1ccc(Cl)c(C(=O)NCC(C)C)c1,CID894750,,,,0.0,,,,,,0.0,,0.0,,0.0,,,0.0
CC(=O)Nc1ccc(N(C)S(C)(=O)=O)cc1,CID977789,,,,,,,,,,0.0,,,,,,,
Nc1cc(C(F)(F)F)ccc1C(=O)O,CID67869,,,,,,,,,0.0,,,,,,,,
CC(=O)c1cccc(NC(=O)NC(CC(C)C)C(=O)O)c1,CID663548,,,,,,0.0,,0.0,,,,0.0,,,,0.0,
Nc1cc(OCC(F)(F)F)cc([N+](=O)[O-])c1,CID831415,,,,,,,,,,,,,,0.0,,,
COC(=O)C(C)NC(=O)Nc1cc(OC)ccc1OC,CID5389734,,,,0.0,,,,,,,,,,,,0.0,
CCc1ccccc1NC(=O)NC(C)C(=O)O,CID5389730,,,,,,,,0.0,,,0.0,,,,,,
CCN(CC)C(=O)CSCC(=O)NCc1ccc(C(=O)OC)cc1,CID2538764,,,,0.0,,,,,,,,,,,,,
CC(C)CCOc1ccc(C(=O)CCNC(C)C(=O)O)cc1,CID3238478,,,,0.0,0.0,,,0.0,,0.0,,,,,,,
CC(C)(C)NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1,CID806277,,,,,,,,,,0.0,,,,,,,
CC(C)(C)NC(=O)COC(=O)c1ccc(O)cc1,CID2427752,,,,,0.0,,,0.0,,,,,,,,0.0,
CCOC(=O)N(CC)c1ccc(C(O)(C(=O)OC)C(F)(F)F)cc1,CID2829554,,,,,,,,,0.0,,,,,,,,
COCC(=O)Nc1cccc(Br)c1,CID885967,,,,,,,,,,,,0.0,,,,0.0,
CCCCC(=O)Nc1ccc(F)c(Cl)c1,CID2295259,,,,,,,,,,,,,,,,,0.0
COC(=O)c1cc(OC)c(OC)cc1N,CID611144,,0.0,0.0,,0.0,,,,,,,,,,,,
Cc1cc(OCC(=O)NCCCN(C)C)cc(C)c1Br,CID2299889,0.0,,,,,,0.0,,,,,0.0,,,,0.0,0.0
CN(C)CCNC(=O)c1ccc(F)cc1,CID756595,,,,,,0.0,,,,,,,,,,,
CCN(CC)C(=O)COc1cc(C)c(Cl)c(C)c1,CID808137,,,,,,,,,,0.0,,,,0.0,,,
C=CCNC(=O)CCCCCNS(=O)(=O)c1ccc(OC)cc1,CID3239382,,,,0.0,,,,,,,,,,,,,
COCCNC(=O)CC(NS(=O)(=O)c1ccc(NC(C)=O)cc1)C(C)C,CID3241561,,,,,,,,,,,,,,,,0.0,
COc1ccc(C(=S)N(C)C)cc1OC,CID768002,,0.0,,,,,0.0,,,,,,,,,,
COC(=O)CCC(=O)Nc1cccc(Br)c1,CID683998,0.0,,,,,,,,,,,0.0,,,,,0.0
CCC(CC)C(=O)Nc1cc(C)cc(C)c1,CID836640,,,,,,,0.0,0.0,,,0.0,,,,0.0,0.0,
COc1ccc(/C=C/C(=O)N(CC(C)C)CC(C)C)cc1Br,CID1183401,,,,,,,,,,,,0.0,,0.0,,,
CC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1c(C)cccc1C,CID4121059,,,,,,,,0.0,,,,,,,,,
COCCNC(=O)CSc1ccc(C)cc1,CID2272037,,,,,0.0,,0.0,,,,0.0,,,,,,
CCCC(CCC(=O)Nc1ccc(C(=O)OCC)cc1)C(=O)O,CID661227,,,,0.0,,,,0.0,,,,,,,0.0,,
CC(C)(C)c1cc(C=C(C#N)C#N)cc(C(C)(C)C)c1O,CID5614,,,,,,,,0.0,,,,,,,,,
CCOC(=O)c1ccc(NC(=O)COC)cc1,CID835353,,,,,,,,,,,,,0.0,,,0.0,
CCNC(=O)C(C)Sc1ccc(Cl)cc1,CID2865304,,,,,,,,,,0.0,,,,,,,
COc1c(Cl)ccc(Cl)c1C(=O)OCC(=O)O,CID2257873,,,,,,,0.0,,,,,,,,,,
CCOc1ccccc1N(CC(=O)OC)S(C)(=O)=O,CID656107,,,,,,,,0.0,0.0,,,,,,,0.0,
CC(=O)c1cccc(N(CC(=O)O)S(C)(=O)=O)c1,CID1266559,,,,0.0,,,,,,,,,,,,,
CCCCOc1ccc(NC(=O)CSCC(=O)OCC)cc1,CID650071,,,,,,0.0,0.0,,,,,,,,,,
C#CCOc1ccc(/C=N/O)cc1Cl,CID2287035,,,,,,,,,,,,,,0.0,,,
CC(C)=CC(=O)OCC(=O)Nc1ccccc1Cl,CID2406780,,0.0,,0.0,,,,,,0.0,,,,0.0,,0.0,0.0
CC(=O)NNS(=O)(=O)c1ccccc1[N+](=O)[O-],CID1203812,,,,,,,,,,,,,,0.0,,,
CNC(=O)Nc1ccccc1NC(=O)NC,CID256325,,0.0,,,,,,,,,,,,,,0.0,
CCOC(=O)C(CSCC(=O)c1ccc(Cl)cc1)NC(=O)OC(C)(C)C,CID2765872,,,,,,,,,,,,0.0,,,,,
C=CCNC(=O)c1ccccc1Cl,CID3244582,,,0.0,,,,,,,,,,0.0,,,,
CC(C)(CO)NC(=O)CCCOc1ccc(Cl)cc1Cl,CID2244633,,,,,,,,,0.0,,,,,,,,
COCCNC(=O)C(=O)NCCc1ccccc1,CID2844392,,,,,,0.0,,,,,,,,,,,
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(=O)Nc1ccccc1C,CID538892,,,,,,,,,,,,0.0,,,,,
COCCCNCCOCCOc1c(OC)cccc1OC,CID2869656,,,,,0.0,0.0,,,,,,,,,,,
CCCCOc1ccccc1C(=O)NCCCC(=O)O,CID658527,,,,,,0.0,,,0.0,,,,0.0,,,0.0,
Cc1ccc(NC(=O)CCl)c(C)c1,CID170158,,,,,,,,,,,,,,0.0,,,
CC(C)CCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1,CID874540,,,,,,0.0,,,,,,,,,,,
CC(C)C(C)NCc1ccc(C(F)(F)F)cc1,CID11835426,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C(=O)Nc1ccccc1C(N)=O,CID1581466,,,,,,,,,,,0.0,,,,,,
Cc1ccccc1CSCC(=O)NC(=O)NC(C)(C)C,CID2498564,,0.0,,,0.0,,0.0,,,,,,,,,,
CCc1ccc(C(=O)NC(CC(C)C)C(=O)O)cc1,CID2957329,,,,,,,,,,0.0,,,,,,,
CC#CCCCC(=O)Nc1ccc(C(=O)O)cc1,CID3245344,,,,,,0.0,,,,0.0,,,,,,,
CCC(COC(=O)Nc1cccc(C)c1)NC(=O)OCC(C)C,CID3245348,,,,,,,,0.0,,,,0.0,,,,,
CC(C)(C)C(=O)/C=C(N)/C=C/c1ccccc1,CID788046,,,,,,0.0,0.0,,,,0.0,,0.0,,,,
Cc1cc(Cl)ccc1OCC(=O)OC(C)C(=O)NC(N)=O,CID2997649,,,,,,,,,,,0.0,,0.0,0.0,,,
CCCCC(=O)Nc1cc(NC(=O)CC)ccc1Cl,CID2065372,,,,,,,,,,0.0,,,,,,,
Cc1ccc(C(=O)NCCN(C)C)cc1C,CID2934754,,,,,,,,,,,,0.0,,,,,
CC(C)CNC(=O)NC(=O)COc1c(F)c(F)cc(F)c1F,CID2544330,,,,,,,,,0.0,,,,,,,,
CCCNC(=O)NC(=O)COc1c(F)c(F)cc(F)c1F,CID2544332,,,,,,,,,0.0,,,,,,,,
O=C(O)CCCC(=O)Nc1c(F)c(F)c(F)c(F)c1F,CID1744408,,,,,,,,,0.0,,,,,,,,0.0
CS/C(=N\N(C)C(N)=O)c1ccccc1,CID1238848,,,,,,,,,,,,,,,0.0,,
Cc1ccc(NC(=O)/C=C\C(=O)O)cc1C,CID1551417,,,,,,0.0,,,,,,,,,,,
CCNC(=O)NC(=O)CSc1cccc(C(F)(F)F)c1,CID2591998,,,,,0.0,,,,,,,,,,,,0.0
CCCCOC(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC,CID1562690,,0.0,,0.0,,,0.0,,,0.0,,,,,,,
CCOC(=O)COc1c(C)cccc1C,CID223596,,,,,,0.0,,,,,,,,,,,
O=C(CCCC(=O)OCC(Cl)=C(Cl)Cl)Nc1cccc(F)c1,CID2828415,,,,,,,,,,,,,,0.0,,,
CCOC(=O)N/N=C(\C)c1ccc(C)c([N+](=O)[O-])c1,CID4553637,,,,,,,,,,,,,,0.0,,,
CC(C)NC(=O)COC(=O)c1ccc(O)cc1,CID2428800,,0.0,0.0,,0.0,,,0.0,,,,,,,,0.0,
COC(=O)C(C)CNCc1ccccc1,CID97781,,,,,,0.0,,,,,,,,,,,
CCCCOc1ccc(C(=O)O)cc1,CID72971,,,,,,,,,0.0,,,,,,,,
CC(NC(=O)NCCc1ccccc1)C(=O)O,CID664702,,,,,,,0.0,0.0,,0.0,,,0.0,,,,
CSCCC(=O)Nc1ccc(C(C)=O)cc1,CID2850940,,,,0.0,0.0,,0.0,,,,,,,,,,
C#CCOC(=O)c1ccccc1C(=O)N(CC)CC,CID534121,,0.0,,,,,,,,,0.0,,,,,0.0,
CCC(=O)NC(=S)Nc1c(C)cc(Br)cc1C,CID823759,,,,,,,,,,,,,,0.0,,,
CCCN/C(N)=C(\C(=O)OCC)C(=O)c1ccc(OC)cc1,CID2190497,0.0,,,,0.0,,,,,,0.0,,,,,,
CSCCC(NC(=O)COc1ccccc1)C(=O)O,CID3688853,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(NC(=O)CSC(N)=O)cc1,CID649321,,,,,0.0,,,,,,,,,,,,
COc1ccc(/C=C/C(=O)CCC(=O)O)cc1,CID1475379,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)NCCCCCC(=O)O)cc1OC,CID658807,,,0.0,,,,,,,,,,0.0,,,0.0,
CCOC(=O)Nc1cc(C(=O)OC)ccc1C,CID3309818,,,,,,0.0,,,,,,,,,,,
CCN(CC(=O)NC)S(=O)(=O)c1ccc(C)cc1,CID934704,,,0.0,0.0,,,0.0,,,,,,0.0,,,,
CC(C)(NO)/C(=N/O)c1ccc(Br)cc1,CID874926,0.0,,,,,,,,0.0,,,0.0,,,,0.0,
CCCC(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1OC,CID3299571,,,,,,,,,,,,,,,0.0,,
CC(C)CNc1cc(Cl)c(S(=O)(=O)NCC(C)C)cc1C(=O)O,CID1361153,,,,0.0,,,,,,,,,,,,,0.0
CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)O)cc1,CID2329631,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(NC(=O)CCC(=O)O)cc1,CID307455,,,,,,,,,,,,,,,0.0,,
CC(C)(C)c1ccccc1OCCCCCNCCO,CID2251058,,,,,,,,,,0.0,,,0.0,,,,
Nc1cc(S(=O)(=O)O)cc([N+](=O)[O-])c1O,CID3844407,,,,,,,,,,,,,,0.0,,,
CC(C)CC(=O)Nc1cc(NC(=O)CC(C)C)cc(C(=O)NC(C)(C)C)c1,CID1342795,,,,,,,,,0.0,0.0,,,,,0.0,,
Cc1cc(CC(=O)O)c(C)cc1CC(=O)O,CID658274,,,,,,0.0,,,,,0.0,,,,,,
Cc1ccc(CNC(=O)CS(=O)CC(=O)O)cc1,CID3809586,,,,,,,,,0.0,,,,,,,,
COc1ccc(C)cc1NC(=O)COCC(=O)O,CID653917,,,,,,,,,,,,,0.0,,,0.0,
CC(C)CNC(=S)NC(=O)c1ccc(Cl)cc1,CID2255031,,,,,,,,,,,,,,0.0,,,
CCCNC(=O)c1ccc(OC)cc1OC,CID3118680,,,,,,,,,,,,0.0,,,,,
CCCCC(=O)Nc1ccc(C)c(O)c1,CID1731866,,,,,,0.0,,,,,,,,,,,
COc1ccc(C=O)c(OC)c1,CID69175,,,,,,,,,,,,,,0.0,,,
CCC(=O)Nc1ccc(F)c(Cl)c1,CID699697,,,,,,,0.0,,,,,,,,,,0.0
O=C(O)CCC(=O)CCC(=O)c1ccc(Cl)cc1,CID2055851,,,,,,,,,,,,,0.0,,,,0.0
CC(=C/C(=O)O)/C=C/c1ccc([N+](=O)[O-])cc1,CID910814,,,,,,,,,,,,,,0.0,,,
CCN(CC)C(=S)SCCC(=O)NC(=O)Oc1ccc(C)cc1,CID2282573,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C(Cc1c(F)cccc1F)(NC(C)=O)C(=O)OCC,CID2207833,,,,,,,,,,0.0,,,,,,0.0,0.0
C/C(Nc1ccc(C)cc1)=C(/C#N)C(N)=O,CID794077,,,,,,,,,,,0.0,,,,,,
COc1cc(Cl)c(C)cc1NC(=O)CSCC#N,CID1642477,,,,,,,,,,0.0,,,,0.0,,,
Cc1ccc(NC(=O)CSCC#N)cc1Cl,CID1642479,,,,,,,,,,,,,,0.0,,,
COCC(=O)Nc1ccccc1NC(C)=O,CID885803,,0.0,,,,,,,,0.0,,,,,,,
COC(=O)CCC(=O)Nc1ccc(NC(=O)CCC(=O)OC)cc1,CID721955,,0.0,,,0.0,,0.0,,,,,,,,,,
NC(=S)N/N=C/C=C/c1ccccc1,CID1638776,,,,,,,,,,,,,,,0.0,,
CCC(=O)NC(O)C(=O)c1ccc(C)cc1,CID3312295,,,,,,,,,,,,0.0,,,,,
CCCC(C)C(=O)Nc1ccc(NC(C)=O)cc1,CID2905480,,,,,,,,,,0.0,,,,,,,
CC(CCc1ccccc1)NC(=O)C(=O)NCCO,CID2969178,,,,,,,,,,,,0.0,,,,,
CCOC(=O)CCNC(=O)c1ccccc1Br,CID662128,0.0,,,,,,,,,,,,,,,,0.0
COc1ccc(C(=O)/C=C/N(C)C)cc1OC,CID1481362,,,,,,0.0,,,,,,,,,,,
C/C=C/C(=O)OCC(=O)Nc1ccc(F)cc1Cl,CID2355460,,,,,,,,,,0.0,,,,,,,
CC(=O)NC(Cc1ccc(F)cc1)C(=O)O,CID2733295,0.0,,,,,,0.0,0.0,,,,,,,,0.0,
CCOC(=O)C(=CNc1ccc(C)cc1C)C(=O)OCC,CID3833828,,,,,,,,,,,,,,,0.0,,
O=C(O)CCCCCCNS(=O)(=O)c1ccccc1,CID3130882,,,,,,,,,0.0,,,0.0,,,,,
COc1ccc(C(=O)CCC(=O)O)cc1,CID76613,,,,,,,,,,,,,,0.0,,,
CCN(CC)C(=O)CCNS(=O)(=O)c1ccc(C)cc1,CID2303737,,,,,,0.0,,,,,,,,,0.0,,
CCCCC(=O)Nc1cccc(NC(=O)CC)c1,CID2911947,,,,,,,,,0.0,,,,0.0,,,,
CCC(NS(=O)(=O)c1ccc(OC)cc1)C(=O)O,CID2908857,,,,0.0,,,,,,,,,,,,,
CC(C)NC(=O)CSCc1c(Cl)cccc1Cl,CID2467184,,,,,,,,,,,,0.0,,,,,
COC(=O)c1cc(OC)c(OC)c(OC)c1N,CID78735,,,,,0.0,,,0.0,,,,,,,,,
CCC(C)c1ccc(NC(=O)CC(C)=O)cc1,CID2936669,,,,,,,0.0,,,,,,,,,0.0,
CCCCN(CC)C(=O)/C=C/c1cccc([N+](=O)[O-])c1,CID2164006,,,,,,0.0,,,,,,,,0.0,,,
O=C(O)CSCC(=O)NCc1ccc(Cl)cc1,CID2763893,,,,,,,,,,,,,,0.0,,,
Cc1ccc(CNC(=O)CSCC(=O)O)cc1,CID2763895,,,,,,,,,0.0,,,,,,,,
Cc1ccc(OCC(=O)NNC(=S)NC(=O)C(C)(C)C)c(Br)c1,CID2238303,,,,,,,,,,,,,,0.0,,,
CCCCc1ccc(NC(=O)COCC)cc1,CID2162873,,,,,,,0.0,,,,,0.0,,,,,
CCOCC(=O)Nc1ccccc1C(=O)OCC,CID2162876,,,,,,,,0.0,,,,,0.0,,,0.0,
Cc1ccc(NC(=O)/C(CN(C)C)=N/O)cc1,CID6411263,,,0.0,,,,,0.0,,,,,,,,,0.0
Cc1ccccc1N(CC(N)=O)S(C)(=O)=O,CID875850,,,,,,,0.0,,,,0.0,,,,,0.0,
C=CCNC(=O)CC(=O)N/N=C/c1ccc(C(=O)OC)cc1,CID3105059,,,,,,,,,,,,0.0,,,,,
CCOC(=O)CN/C=C(\C#N)c1ccccc1,CID15945042,,,,,,,,,,,,,,,0.0,,
CS(=O)(=O)N(CCc1ccccc1)CC(N)=O,CID963790,,,,0.0,,,,,,,0.0,,,,,,
C=CCOc1ccc(/C=C/C(C)=N/O)cc1,CID5310830,,,,,,,0.0,,,,,,,,,,
COC(=O)COc1ccc(C(=O)OC)cc1,CID887006,,,,,,,,0.0,,,,,,0.0,0.0,0.0,
CCOc1cc(C(=O)NC(C)COC)cc(OCC)c1OCC,CID2905222,,,,0.0,,,,0.0,,,,0.0,0.0,,,,
Cc1cccc(N(CC(N)=O)S(C)(=O)=O)c1C,CID806798,,0.0,,0.0,,,,,,0.0,,,0.0,,,,0.0
COC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O,CID675000,,0.0,,,,,,,,,,,,,,,
CCC(Oc1cc(Cl)ccc1Cl)C(=O)NNC(=O)CCC(=O)O,CID4252186,,,,,,,,,,,,,,,0.0,,
CCN(CC)CCC(=O)NC(C)(C)Cc1ccc(O)cc1,CID3244428,,0.0,0.0,,,,,0.0,,,,,,,,,
COc1ccc(C(C#N)(CCC#N)CCC#N)cc1OC,CID223037,,,,,,,,0.0,0.0,,,,,,,,
CCOC(=O)c1ccc(NC(=O)CCC(CC)C(=O)O)cc1,CID661016,,0.0,,,,,0.0,0.0,,0.0,,,,,,,
CCOC(=O)C(/C(C)=N/NC(=O)c1ccccc1[N+](=O)[O-])C(C)C,CID4554423,,,,,,0.0,,,,,,,,,,,
C#CCOC(=O)CCC(=O)NCCc1ccccc1,CID2304667,,0.0,,0.0,,,,,,0.0,,,0.0,,,0.0,
CC(C)NC(=O)CSCc1cccc(Br)c1,CID747356,,,,,,,,,0.0,,,,,0.0,0.0,,
CCCCCCC(C)NC(=S)Nc1cc(S(=O)(=O)N(C)C)ccc1C,CID3255634,,,,,,,,,,,,,,,0.0,,
CCc1ccc(C(=O)NC(C(=O)O)C(C)C)cc1,CID2912948,,,,,,,,,,0.0,,,,,,,
COc1ccc(NC(=O)NC(C)(C(F)(F)F)C(F)(F)F)cc1,CID916288,,,,,,,,,0.0,,,,,,,,
COC(=O)CCCNC(=O)OCc1ccc([N+](=O)[O-])cc1,CID3102542,,,,,,,,,,,,0.0,,,,,
COCC(=O)Nc1cc(OC)ccc1OC,CID532085,,0.0,,0.0,,,,,,0.0,,,,,,0.0,
CCCCCCOc1ccc(C(CC(=O)O)C(N)=O)cc1,CID651854,,,,,,,,0.0,,,,,,,,,0.0
N#CCSCC(=O)Nc1ccc(F)cc1,CID2229560,,,,,,,0.0,,,,,,,,,,
CCN(CC)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O,CID649954,,,,,,,,,,0.0,,,,,,,
NC(=O)COC(=O)/C=C/c1ccccc1[N+](=O)[O-],CID2391388,,,,,,,,,,,,,,,0.0,,
CCCCN(C(=O)NC(=O)Nc1ccccc1OCC)S(C)(=O)=O,CID3242475,,,0.0,0.0,,,,,,,,,,,,0.0,
COC(=O)C(CC(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1,CID2914683,,,,,,0.0,,,,,,,,,,,
COc1cc(C(=O)NCC(C)C)c([N+](=O)[O-])cc1OC,CID876686,,,,,,,,,,,,0.0,,,,,
CCCCCOc1ccccc1C(=O)NCCC(=O)O,CID1900873,,,,,,,,,,,0.0,,,,,,
COCCCNC(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O,CID2271449,,,,,,,,,,,,,,,0.0,,
Cc1cccc(C)c1OCCCCCNCCO,CID1987891,,,,,,,,,,,0.0,,,,,,
CCOC(=O)c1c(C)cccc1OCC(N)=O,CID657678,,,,,0.0,,0.0,,,,,,,,,,
COC(=O)C(C(=O)OC)c1ccccc1[N+](=O)[O-],CID5192815,,,,,,,,,,,0.0,,,,,,
CC(C)C(NC(=O)COc1ccccc1)C(=O)O,CID2942249,,,,,,,,,,0.0,,,,,,,
COc1ccc(NCCC#N)cc1,CID2315343,,,,,,,,,,,,0.0,,,,,
C=CCC(CC=C)(C(=O)O)c1ccccc1,CID974727,,,0.0,,,,,,,,0.0,,,,,,
CCC(C)NC(=O)Nc1ccccc1C,CID2787271,,,,,,,,,,,,0.0,,,,,
C=CCOc1ccc(Br)cc1/C=N/O,CID2766903,,,,,,,,,0.0,,,0.0,,0.0,,,
COC(=O)C(CCSC)NC(=O)Nc1ccc(C)c(C)c1,CID663492,,,,,0.0,,0.0,,,,,,,,,0.0,
CC(C)CC(NC(=O)NCc1ccccc1Cl)C(=O)O,CID663491,0.0,0.0,,,,,,,,,,,,,,,0.0
CCCCC(CC)C(=O)Nc1ccccc1C#N,CID654718,,,,0.0,,,,,,,0.0,,,,,0.0,
CC(C)(C)C(=O)COC(=O)c1ccc(O)cc1,CID2431286,,,0.0,0.0,,,,,0.0,,,,,0.0,,,
CCCCNC(=O)CCCCCNS(=O)(=O)c1ccc(OC)cc1,CID3235639,,,0.0,0.0,,,0.0,,,,,0.0,0.0,,,,
CCOCCCNC(=O)c1ccc(SC)cc1OC,CID2162390,,0.0,,0.0,0.0,,0.0,0.0,,,,0.0,,,,,
CC(Sc1cccc(C(F)(F)F)c1)C(=O)NC(N)=O,CID2998998,0.0,,,,,,,,0.0,,,,,,,,0.0
CC/C(=N\NS(C)(=O)=O)c1ccccc1,CID867220,,,,,,,,,,,,0.0,,,,,
Cc1cc(C)c(/C=N/NC(N)=O)c(C)c1/C=N/NC(N)=O,CID678463,,,,,,,,,,,,0.0,,,,,
O=C(O)CSCCC(=O)Nc1ccc(F)cc1,CID3237121,,,0.0,,,,,,,,,0.0,,,,,
N#CCSCC(=O)Nc1ccc(Br)cc1,CID2230065,,,,,,,,,0.0,,,,,0.0,,,
CC(C)CCOc1ccc(C(CC(N)=O)C(=O)O)cc1,CID5078522,,,,,,,,,,,,,,0.0,,,
O=C(O)CSCc1ccc(Cl)cc1,CID248360,,,,,,,,,,0.0,,,,0.0,,,
COCCNC(=O)C(=O)Nc1ccc(C)cc1,CID2248422,,,,,,0.0,,,,,,,,,,,
CCN(CC)S(=O)(=O)c1cccc(C(=O)NC(C(=O)OCC(N)=O)C(C)C)c1,CID2106758,,,,,,,,,0.0,,,,,,,,
CCOC(=O)C(C(C)=O)C(c1ccc(OC)cc1)C(C(C)=O)C(=O)OCC,CID244716,,,,,,,0.0,,,,,0.0,,,,,
N#C/C=C\Oc1ccc(Cl)cc1N,CID5771281,,,,,,,0.0,,,,,,,,,,0.0
CCCCc1ccc(NC(=O)OC)cc1,CID2169720,,,0.0,0.0,,,,,,,,,,,,0.0,
C=CCNC(=O)CCCOc1cccc(C)c1,CID1565321,,,,,,,0.0,,,0.0,,,,,,0.0,
CN(CCO)c1cc(N(C)CCO)c([N+](=O)[O-])cc1[N+](=O)[O-],CID3107690,,,,,,,,,,,,,,0.0,,,
CCC(=O)NCC(=O)OCC(=O)c1ccccc1,CID3101228,,,,,,,,,,0.0,,,,,0.0,,
CCCCCOc1ccc(C(=O)NC(C(=O)O)C(C)C)cc1,CID644809,,,,,,,,0.0,,,,,,,,,
CCNc1ccc(C(=O)OCC(=O)NC(=O)NCC(C)C)cc1[N+](=O)[O-],CID4597189,,,,,,,,,,,,,,0.0,,,
CCCCOC(=O)c1cccc(NC(=O)CCC(=O)O)c1,CID1712641,,,,,,,0.0,0.0,,,,,0.0,,,0.0,
CCOC(=O)C(NCc1ccccc1OC)(NC(C)=O)C(F)(F)F,CID658570,,,,0.0,,,,,0.0,,,,,,,,0.0
CC(C)COC(=O)N(C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,CID645748,,,,,,,,,0.0,,,,,,,,0.0
CC(C)SCCCOc1ccc(C(C)(C)C)cc1,CID2304711,,,,,,0.0,,,,,,,,,,,
CCS(=O)(=O)NCCCCc1ccccc1,CID2179616,,,,0.0,0.0,,,,,,,,,,,,
CC(C)CC(NC(=O)NCc1ccc(Cl)cc1)C(=O)O,CID664526,,0.0,,0.0,,0.0,0.0,,,0.0,,,,,,0.0,
CCCCNCCCCOc1ccccc1,CID2248956,,,,,,,,,,,0.0,,,,,,
CN(CCCCCNC(=O)/C=N/O)Cc1ccccc1,CID6400943,,0.0,,,,,,,,,,,,,,,
CN(C)CCCN(CCCNC(=O)/C=N/O)Cc1ccccc1,CID6400947,,,,0.0,,,,,,0.0,,,,,,,
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1,CID4911,,,,,,,,,,,,,,0.0,,0.0,
COc1ccc(Cl)cc1NC(=O)CC(C)=O,CID98791,,,,0.0,,,,,,0.0,,,,,,,0.0
CCNC(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O,CID2217808,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)NCC(=O)O)cc1,CID128847,,,,,,,0.0,,,,,,0.0,,,0.0,0.0
CCCNC(=O)NC(Cc1ccccc1)C(=O)OC,CID1979191,,,,,,,,,,,,0.0,,,,,
CCNC(=O)CN(CCc1ccccc1)S(C)(=O)=O,CID2219097,,,,,,,,,,,,0.0,,,,,
C=CCOCC(O)CS(=O)(=O)Cc1ccc(Cl)cc1,CID2843177,,,,,,,,,,,,0.0,,0.0,,,
CCCOc1c(Cl)cc(C(=O)NC)cc1OC,CID2224301,,,,,,,,,,,,,,0.0,,,
CNC(=O)CC(C(=O)O)c1ccc(OCC(C)C)cc1,CID647848,,,0.0,,,,,,,0.0,,,,,,0.0,
CCNS(=O)(=O)c1ccc(OC)c(C)c1,CID894026,,,0.0,,0.0,,,,,,,,,,,,
CCOC(=O)C(CCCCCOc1ccc([N+](=O)[O-])cc1)C(=O)OCC,CID2843799,,,,,,0.0,,,,,,,,,,,
COC(=O)CCC(=O)Nc1ccc(Cl)c(Cl)c1,CID647068,,0.0,,,,,,,,,,,,,,,
CCCCOC(=O)Nc1cc(Cl)ccc1C,CID231815,,,,,,,,,,0.0,,,,,,,
C/C=C/c1ccc(OCCCNCC(C)O)c(OC)c1,CID5741547,,,,,,,,0.0,,,,,,,,,
CN(C)S(=O)(=O)Nc1ccc(Br)cc1F,CID884833,0.0,,,,,,0.0,,0.0,,,,,0.0,,,
CCCCOCCCNC(=O)c1ccccc1OCC,CID2290248,,,,,,,,,,,0.0,,,,,0.0,
COCCCNC(=O)Nc1ccc(Br)cc1Cl,CID2211253,,,,,,,,,,,,,,,,0.0,
CCOC(=O)C(CSCc1ccccc1)NC(=O)OC(C)(C)C,CID2765837,,,,,,0.0,,,,,,,,,,,
CSC(=NS(=O)(=O)c1ccccc1)SC,CID727967,,,,,,,,,,0.0,,,,,,,
Cc1ccc(Cl)cc1NC(=O)CC(C)(C)C,CID884449,,,,,,,,,,0.0,,,,,0.0,,
COC(=O)C(CCSC)NC(=O)NCCc1ccc(F)cc1,CID2024504,,,,,,,,,,,0.0,,,,,,
CCCCCC(=O)NC(=S)Nc1ccc(Br)cc1C,CID1798157,,,,,,,,,,,,,,0.0,,,
CCOC(=O)CNC(=O)Nc1ccccc1C(=O)OC,CID661659,,,,,0.0,,,0.0,,,,,,,,0.0,
Cc1cc(C(=O)NC(CC(C)C)C(=O)O)cc(C)c1[N+](=O)[O-],CID3104568,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)NC(=S)NC(C)(C)C)cc1Br,CID881461,,,,,,,,,,,,,,0.0,,,
CCOc1cc(Cl)c(NC(=O)CC)cc1OCC,CID852887,,,,,,,,,,,,,,0.0,,,
CCOc1cc(Br)c(C(=O)O)cc1OCC,CID972376,0.0,,,,,,,,,,,0.0,,,,,
COc1cc(NC(=S)NC(C)=O)ccc1NC(=O)C(C)C,CID935204,,,,,,,,,,,,0.0,,,,,
CCCCOC(=O)Nc1ccc(N(C)C)cc1,CID1562744,,,,,,,,,,,,,,,0.0,,
CCC(C)(C)NC(=O)Cc1ccc(C)cc1,CID977845,,,,,,,,,,,0.0,,,,,,
C=CCCCOc1ccc(C(=O)O)cc1,CID2056291,,,,,,,,,0.0,,0.0,,0.0,,,0.0,0.0
CCOc1cc(C(=O)O)cc(Cl)c1OCC#N,CID2217404,,0.0,,0.0,,,,,,,,,,,,,0.0
CC(C)=C(NC(=O)c1ccccc1)C(=O)NCCCC(=O)O,CID1747704,,,0.0,,,0.0,,0.0,,,,,,,,,
CCCNC(=O)C(CC)NS(=O)(=O)c1ccc(OC)cc1,CID3244614,,,0.0,,,,,0.0,,,,,,,,,
CC(C)NC(=O)C(=O)NCCc1ccc(Cl)cc1,CID2290457,,,,,,,,,,0.0,,,,,,,
COCCNC(=O)c1ccc(Cl)c(Cl)c1,CID2255182,,,,,,,,,,,,,,,,0.0,
CCOC(=O)C(=O)Nc1ccc(OC)c(Cl)c1,CID2273643,,,,,,,,,,,,,,0.0,,,
COC(=O)C(CCSC)NC(=O)CNS(=O)(=O)c1ccc(F)cc1,CID5194708,,,,,,,,,,,,,,0.0,,,
COCC(COCCCNC(=O)Nc1ccc(Br)cc1)OC,CID2876780,0.0,,,,,,0.0,,0.0,,,0.0,,,,,
CCCN(CCO)Cc1cccc(Br)c1,CID782380,,,,,,,,,,,,0.0,,,,0.0,0.0
CNC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O,CID846505,,,,,,,,,0.0,,,0.0,,,,0.0,
Cc1cc(N(CC(=O)NC(C)C)S(C)(=O)=O)ccc1Br,CID2223390,,,,,,,,,,,,,,0.0,,,
COc1cc(NC(=S)NNC(=O)C(C)(C)O)cc(OC)c1,CID970173,,,,,,,,,,,,,,,0.0,,
CC(C)C(NC(=O)CNC(=O)OC(C)(C)C)C(=O)NCc1ccccc1,CID2998862,,,,,,0.0,,0.0,,,,,,,,,0.0
CCOCCCNC(=O)/C(C#N)=C/c1cc(OC)c(O)c([N+](=O)[O-])c1,CID2094544,,,,,,,,,,,,,,,0.0,,
CN(C)CCNC(=O)COc1cccc(Cl)c1,CID655660,0.0,0.0,,0.0,,,0.0,,,0.0,,,,,,0.0,
NC(=O)CSCc1cccc(Br)c1,CID875453,,,,,,,,,,,,,,0.0,,,
CC(=O)NC(CC(C)C)C(=O)NC(Cc1ccccc1)C(N)=O,CID646621,,,0.0,,,,,0.0,,0.0,,0.0,,,,,
C/C=C/C(=O)NCCc1ccc(OC)c(OC)c1,CID6052040,,,,,,,,,,,,,,0.0,,,
CCOC(=O)/C(C(=O)c1ccccc1)=C(/N)NCCO,CID2187567,,,,,0.0,,,0.0,,,,,,,,,
CCOC(=O)Nc1ccc(C)cc1Br,CID692185,0.0,,,,,,,,,,,0.0,,,,0.0,0.0
COC(=O)Nc1ccc(C)c(NC(=O)OC)c1,CID235307,,,,,,,0.0,,,,,,,,,,
CC(C)c1ccccc1OCCNS(C)(=O)=O,CID2298222,,,,,0.0,,0.0,,,,,,,,,,
CCCC(=O)Nc1ccccc1NC(C)=O,CID885873,,,,0.0,,,,,,,,,,,,,0.0
COc1cc(NC(=O)C(F)(F)F)cc(OC)c1,CID885871,,,,0.0,,,,,0.0,,,,,,,,0.0
CCN(CC(F)(F)C(F)F)S(=O)(=O)c1ccc(NC(=O)OC)cc1,CID1548245,,,,,,,,,0.0,,,,,,,,
CCOC(=O)c1cc(NC(=O)CSCCO)ccc1Cl,CID2200389,,0.0,,0.0,,,,,,0.0,0.0,,,,,,0.0
COCCCNC(CC(=O)Nc1ccc(OC)cc1OC)C(=O)O,CID2957809,,0.0,,,0.0,,,,,,,,,,0.0,,
COC(=O)C(NC(C)=O)(Nc1ccccc1)C(=O)OC,CID658595,,,,,0.0,,,0.0,,,,,,,,,
C=CC(=O)Nc1ccc(Br)cc1,CID263609,,,,,,,,,,,,0.0,,,,,
COCCN(CCOC)S(=O)(=O)c1ccc(OC)cc1,CID665445,,,,,,,,,0.0,,,,,,,,
CCC(CC)NCc1ccc(OC)cc1OC,CID775201,,,,0.0,,,0.0,,,0.0,,,,,,,
CNC(=S)NCCc1ccc(OC)c(OC)c1,CID867843,,,,,,,,,,,,0.0,,,0.0,,
CC(=O)Nc1ccccc1O,CID11972,,,,,,,0.0,,,,,,,,,,
CSc1ccc(CN(C)CC(=O)NC(=O)NC(C)(C)C)cc1,CID2699453,,,,,,,0.0,0.0,,,,,,,,0.0,
COc1ccc(CCCC(=O)O)c(C)c1,CID237621,,,,,,,,,0.0,,,,,,,0.0,
CC(NC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)O,CID663760,,,,0.0,,,,,0.0,0.0,,,,,,,
N#CCC(=O)Nc1ccccc1C(=O)O,CID853762,,,,,,,,,,,0.0,,0.0,,,,0.0
CC(=O)/C(=C/N(C)C)C(=O)Nc1ccc(Cl)cc1Cl,CID1480480,,,,,,,,,,,,,,0.0,,,
CCNC(=S)NS(=O)(=O)c1ccc(C)cc1,CID914066,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)c(S(=O)(=O)N(C)CC(N)=O)c(C)c1,CID893790,,0.0,0.0,,,,0.0,,,,0.0,,,,,,
CCOCCCNC(=O)c1ccccc1SC,CID2235035,,,,,0.0,,,,,,,,,,,,
COC(=O)C(NC(=O)NCc1ccc(F)cc1)C(C)C,CID1999248,,,,,,0.0,,,,,,,,,,,
COc1cc(NC(=O)NC(C)(C(F)(F)F)C(F)(F)F)cc(OC)c1OC,CID658930,,,,,,,,,0.0,,,,,,,,
CSCCC(CO)NC(=O)OCc1ccccc1,CID659041,,,,,0.0,,0.0,,,,,,,,,,
CCCCc1ccc(NS(=O)(=O)N(C)C)cc1,CID2162823,,,,0.0,0.0,,,,,,,,,0.0,,,
CCOCC(O)CSCc1ccc(Cl)cc1,CID2842953,,,,,,,,,,0.0,,,,,,,
CCNC(=O)NC(=O)COC(=O)c1ccccc1SCC(=O)NC(=O)NCC,CID2999311,0.0,,0.0,,,,,,,0.0,0.0,,,,,,
CCOC(=O)/C(C)=N/NC(=O)c1ccc([N+](=O)[O-])cc1,CID16195430,,,,,,,,,,,,,,,0.0,,
C=CCNC(=O)C(=O)NCCc1ccc(F)cc1,CID1918638,,,,,,0.0,,,,,,,,,,,
COc1ccc(C)cc1NC(=O)CC(C)=O,CID242248,,,,,,0.0,,,,,,,,,,,
CSCCC(NC(=O)Nc1ccc(C)cc1C)C(=O)O,CID664998,,,,0.0,,,,,,,,,,,0.0,,
Cc1ccc(SC(C)C(=O)NC(N)=O)c(C)c1,CID16196257,,,,,,,,,,,,,,,0.0,,
COC(=O)CNC(=O)Cc1c(F)cccc1Cl,CID1241670,,,,,,,,,,0.0,,0.0,,,,,0.0
CC(=O)Nc1cc(NC(=O)CCCC(=O)O)ccc1Cl,CID881067,,0.0,,0.0,,,,,,,,,,,,0.0,
CC(=O)SCCC(=O)Nc1ccccc1,CID891011,,,,,0.0,,0.0,,0.0,,,,,,,,
COC(=O)C(NC(=O)NCc1ccccc1F)C(C)C,CID2005214,,,,,,,,,,,0.0,0.0,,,,,
O=C(O)COc1ccccc1O,CID22783,,,,,,,,0.0,,,,,0.0,,,,
C=C(C)C(=O)Nc1cccc(C(C)=O)c1,CID896529,,,,,,0.0,,,,,,,,,,,
COc1cc(Cl)c(C)cc1NC(=O)CSC,CID734363,,,,0.0,,,,,,,,,0.0,,,,
CNC(=S)N/N=C(\C)c1ccc(Cl)c(Cl)c1,CID3950362,,,,,,,,,,,,,,0.0,,,
COc1ccc(NC(=O)NC(C(F)(F)F)C(F)(F)F)cc1,CID790158,,,,,,,,,0.0,,,,,,,,0.0
COc1ccc(C(=O)NC(=S)NC(C)C)cc1Br,CID1791579,,,,,,,,,,,,0.0,,0.0,,,
COC(=O)c1ccccc1NC(=O)COC(C)=O,CID2391092,,,0.0,0.0,,,,,,,,0.0,,0.0,,0.0,
C=CCNC(=O)NC(=S)c1ccccc1,CID2215601,,,,,0.0,,,,,,,,,,,,
CCOC(=O)C(NC(C)=O)(OCc1ccc(F)cc1)C(F)(F)F,CID657810,,,,,,,,,0.0,,,,,,,,0.0
C=CCNC(=O)CNS(=O)(=O)c1ccc(F)cc1,CID1797604,,,0.0,0.0,,,,,,,,,,,0.0,,
CCOC(=O)CSCC(=O)Nc1cc(C)ccc1C,CID2188560,,0.0,0.0,0.0,0.0,,0.0,,,,,,,,,,
CO/N=C/C(C(C)=O)C(=O)Nc1ccc(Cl)cc1Cl,CID3820091,,,,,,,,,,,,,,,0.0,,
CCOc1cc(C(=O)O)cc(Cl)c1OC,CID900814,,,,,,,,,,,0.0,,,0.0,,,
C=CCNC(=O)c1ccc(N(CC=C)S(C)(=O)=O)cc1,CID1798743,,,,,,,,,,0.0,,,,,,,
C=CCNC(=O)CSCc1ccc(Br)cc1,CID1798746,,,,,,,,,,,,,,0.0,,,
CCN(CC)CCCCOc1ccccc1OC,CID2232741,,,,,,,,0.0,,,,,,,,0.0,0.0
O=C(O)CCCNC(=O)COc1ccccc1,CID2274240,,,,,,0.0,,,,,,,,,,,
C=CCNC(=O)CC(=O)N/N=C/c1cccc(Br)c1,CID2249843,,,,,,,,,,,,0.0,,,0.0,,
COc1ccccc1NC(=O)CSCC(N)=O,CID1251511,,,,,0.0,,0.0,,,,,,,,,,
CCOc1ccc(NC(N)=O)cc1,CID9013,,,,0.0,,,0.0,,,0.0,,,,,,,
Cc1cc(OCCCCCNCCO)ccc1Cl,CID2250588,,,,,,,,,,,,,,,,,0.0
CCc1ccc(OCC(=O)N(C)C)c(Br)c1,CID894150,0.0,,,,,,,,,,0.0,,,,,,
CCCCC(CCC(=O)Nc1ccccc1C(=O)OCC)C(=O)O,CID3235910,,,,0.0,,,0.0,,,,0.0,,,,,0.0,
CCC(C)c1ccc(O)c(N)c1,CID100028,,,,,,,0.0,0.0,,,,,,0.0,,,
O=C(O)CCCC(=O)NCCc1cccc(Cl)c1,CID2169838,,0.0,0.0,,,,,,,0.0,,,,0.0,,,0.0
CNC(=O)COC(=O)Cc1ccc(Cl)cc1,CID2364552,,,,,,,,,,,,,,0.0,,,
O=C(O)CCN(CCC(=O)O)S(=O)(=O)c1ccccc1,CID221045,,,,,,,,,,,,,,0.0,,0.0,
CC(=O)c1ccc(NC(=O)CSCCO)cc1,CID2190575,,,,,0.0,,,,,,,,,,,,
CCN(CC)S(=O)(=O)c1ccc(Br)c(OC)c1,CID850059,,,,,,,0.0,,0.0,,,,,0.0,,,
CCOc1cc(C)c(Cl)cc1S(=O)(=O)N(CC)CC,CID850051,,,,,,,,,,0.0,,,,0.0,,,
C/C(N)=C(/C#N)C(=O)COC(=O)CSc1ccccc1,CID5742475,0.0,,,,,,,0.0,,,,,,,,,
C=CCNC(=O)NC(=O)COC(=O)/C(C#N)=C/c1ccc(OC)cc1,CID2098388,,,,,,,,,,,,,,,0.0,,
CN(C)/C=N/NC(=O)c1ccc(Cl)cc1,CID3740598,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1cc(NC(=O)/C=C\C(=O)O)ccc1Cl,CID2177557,,,,,,,,,,,,,,,0.0,,
COc1ccccc1NCCC#N,CID2307096,,,,,,,,,,,,0.0,,,,,
COCCNC(=O)/C(C#N)=C/c1ccc(O)c([N+](=O)[O-])c1,CID2095058,,,,,,,,,,,,,,0.0,,,
CN(C)CCNS(=O)(=O)c1ccc(Cl)cc1,CID965272,,,,,,,,,,,,,0.0,,,,0.0
COc1ccc(Br)cc1/C=C/C(=O)NCC(=O)O,CID5823243,,,,,,,,,,,,,,0.0,,,
CCCOc1ccc(C(=O)NCCC(=O)NCCCC(=O)OCC)cc1,CID2848105,,,0.0,,,,,,,,,0.0,,,,,
COCCCNC(=O)COc1cc(C)c(Cl)c(C)c1,CID2268269,,0.0,,0.0,,,,,,0.0,,,,,,,0.0
C/C(=C(\C#N)C(=O)NCc1ccccc1)N(C)C,CID870141,,,,,,,,,,,,0.0,,,,,
N#CN/C(N)=N/c1cccc(Cl)c1,CID658719,,0.0,,,,,0.0,,,,,,,,,0.0,
CC(C)(/C=N/O)/[N+]([O-])=C/c1ccccc1C(F)(F)F,CID921830,,,,0.0,,,,,,,,,,,,,0.0
COc1cc(Cl)cc(C=O)c1OCC(=O)O,CID806314,,,,,,,,,,,,,,0.0,,,
CCCCOCCCNC(=O)CCCOc1ccccc1,CID2914857,,,,,,,,,,,,0.0,,,,,
COCCNC(=O)CSc1ccc(Cl)cc1,CID2272096,,,,,,,,,,,,,,0.0,,,
N/C(CC(=O)NCCOc1ccccc1)=N\O,CID2230160,,,,,0.0,,0.0,,,,,,,,,,
Cc1ccc(OCCCN(C)C)c(Br)c1,CID2184957,,,,,,,,,,,,0.0,,,,,0.0
COCCCNC(=O)COc1ccc(Cl)c(C)c1,CID2184018,,,0.0,0.0,,,,,,0.0,,,,0.0,,0.0,
Cc1cc(OCCCCCNCCO)cc(C)c1Cl,CID2250138,0.0,,,,,,,,,,,,,,,,
O=C(/C=N/O)Nc1ccccc1,CID6399063,,,,,,0.0,0.0,,,,,,0.0,,,,
COC(=O)/C(NC(C)=O)=C(\C)c1ccc(Cl)cc1,CID9549157,,,,,,,,,0.0,,,,,,,,
CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1,CID2843192,,,,,,,0.0,,,0.0,,,,,,,
CS(=O)(=O)Nc1ccccc1C(=O)O,CID786039,,,0.0,,,,,,,,,,0.0,,,,
CCOC(=O)N=S(N)(=O)c1ccc(Cl)cc1,CID2999116,,,,,,,,,,,,,,,0.0,,
Cc1ccc(O)c(NC(=O)CCCC(=O)O)c1,CID973585,,,,,0.0,,,0.0,,,,,,,,0.0,
CC(=O)c1cccc(NC(=S)NC(=O)CC(C)(C)C)c1,CID734555,,,,,,,,,,,,,,0.0,,,
Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)CC(C)(C)C,CID734553,,,,,,0.0,,,,,,0.0,,,,,
COc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)O)cc1,CID3236228,0.0,0.0,,,,,,,,,,,,,,,0.0
CC(C)CC(NC(=O)Nc1ccccc1F)C(=O)O,CID942821,,,,,,0.0,,,,,0.0,,,0.0,,,
CC(C)OCCCNC(=O)c1ccc(N(C)S(C)(=O)=O)cc1,CID2207507,,,,,,,,,,,,0.0,,0.0,,,
CSC(=O)CC(=O)NC(=O)c1ccccc1,CID663189,,,,0.0,0.0,,,,,,,,,,,,
CSC(=NS(=O)(=O)c1ccc(C)cc1)SC,CID319370,,,,,0.0,0.0,,,,,,,,,,,
COC(=O)CCC(=O)Nc1ccccc1C(N)=O,CID721987,,,,,0.0,,,0.0,,0.0,,,,,,,
CC(/C=C/c1ccccc1)=N\NC(N)=S,CID11958864,,,,,,,,,,,,,,,0.0,,
CC(NC(=O)COc1ccc(Br)cc1)C(=O)O,CID2787613,0.0,,,,,,,,,,,,,,,,0.0
CC(C)(C)OC(=O)NCC(=O)NCC(=O)OCc1ccccc1,CID3244524,0.0,,,,,,,0.0,,0.0,,,,,,,
CC(C)NS(=O)(=O)c1ccc(CCC(=O)O)cc1,CID976717,,,0.0,0.0,,,,,,,,0.0,,,,,
CCOC(=O)COc1ccc(CCNC(C)=O)cc1,CID871461,,,0.0,,,,,0.0,,0.0,,,,,0.0,,
CC(C)NC(=O)CSCc1ccccc1Cl,CID875617,0.0,,,0.0,,,,,,0.0,,,,0.0,,,
CCS(=O)(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC,CID896631,,,,,,,,,0.0,,,,,,,,
CCCC(C)NS(=O)(=O)c1ccccc1,CID653062,,,,,0.0,,0.0,,,,,,0.0,,,0.0,
CC(C)C(NC(=O)NCc1ccc(Cl)cc1)C(=O)O,CID663682,0.0,,0.0,,,,,,,0.0,,,,,,,0.0
COc1ccc(N(CC(=O)O)S(C)(=O)=O)cc1OC,CID1203939,,,0.0,,,,,,,,,,,,,,
CCCCOC(=O)Nc1cccc(C(C)=O)c1,CID1640925,,,,0.0,,,,,,,0.0,,,,,0.0,
O=C(/C=N/O)Nc1ccc(F)cc1,CID6400930,,,,,,,,0.0,,,,,,,,,
CN(CCCCCC(=O)/C=N/O)Cc1ccccc1,CID6400936,,,,0.0,,,,0.0,,,,,,,,,
CCCCCN(C(=O)NC(=O)Nc1ccccc1OC)S(C)(=O)=O,CID2328338,,,0.0,,,,,,,,,,,,,0.0,0.0
COCCNC(=O)C(=O)Nc1ccc(Br)cc1,CID3102407,,,,,,,,,,,,0.0,,,,,
Cc1c(Cl)cccc1NC(=O)CSCC(N)=O,CID1249389,,,,,,,,,,,,,0.0,,,0.0,
NN/C(=C\[N+](=O)[O-])Nc1ccccc1,CID5524597,,,,,,,,,,,,,,0.0,,,
CC(C)OC(=O)NC(C)(C)COC(=O)Nc1cccc(Cl)c1,CID3136018,,,,,,,,,,,,,,0.0,,,
COC(=O)C(CCSC)NC(=O)NCCc1ccccc1F,CID2032939,,,,,,,,,,0.0,,,,,,,
COC(=O)CCN(C(C)=O)c1ccc(N)cc1,CID658468,,,,0.0,,,,0.0,,,,0.0,0.0,,,0.0,
CCCN(CCO)Cc1ccc(Br)cc1,CID783142,,,,,,,,,,,,0.0,,,,,
CCC(C)NC(=O)NC(Cc1ccccc1)C(=O)O,CID664326,,,,,,,,,0.0,,,,,,,,0.0
CCOC(=O)c1ccc(NS(C)(=O)=O)cc1,CID250654,,,,,,,,,0.0,,,,,,,,
NC(=O)c1ccccc1O,CID5147,,,,,,,,,,,0.0,,,,,,
CC(C)(C)NC(=O)CS/C(=N\c1ccc(F)cc1)NC#N,CID1774139,,,,,,,,,,0.0,0.0,,,,,,
Cc1cccc(NC(=O)CC(C)(C)C)c1,CID646362,,,,,,,,,,,,,,,,0.0,
CCCS(=O)(=O)Nc1cc(C(F)(F)F)ccc1OCCOC,CID2554278,,,,,,,,,,,,,,,,,0.0
CCOC(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1,CID2369508,,,,0.0,,,,,,,,,,,,0.0,
Cc1cc(C)c(S(=O)(=O)NCC(=O)O)cc1C,CID4582890,,,,,,,,,,,,0.0,,,,,
CCOC(=O)CCCNC(=O)CCNC(=O)c1ccc(OC)cc1,CID2847225,,,,,0.0,,,,,,,,0.0,,,,
Cc1cc(Cl)ccc1OCCCC(N)=O,CID2287730,,,,,,,,,,0.0,,,0.0,,,0.0,0.0
COCCNC(=O)CCCCCNS(=O)(=O)c1ccc(C)cc1,CID3242848,,,,,,,,,,,,,,,,0.0,
CN(C)C(=O)Nc1cccc(OC(=O)N(C)C)c1,CID883449,,,,,,,,,0.0,,,0.0,,,,,
CCCC(=O)c1ccc(C(C)CCC(=O)O)cc1,CID655481,,,,,,,,0.0,,,,,,,,,
CN(C(=O)OCc1ccccc1)C(CC(N)=O)C(=O)O,CID2850531,,,,0.0,,,,,,,,,,,,,
CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC)c1,CID1332453,,,,,,,,,,0.0,,,,,,,
CCCCNC(=O)NCC(=O)Nc1ccc(F)c(F)c1,CID2079299,,,,,,,,,,,,,,,,,0.0
CCOc1cc(/C=N/O)cc(Br)c1OC,CID1122117,0.0,,,,,,0.0,,0.0,,,,,,,,
CCC(C)NC(=O)c1ccccc1C(=O)NC(C)CC,CID2837025,,,,0.0,,,,,,0.0,,,,,,,
CCCc1ccc(OCCNC(=O)CC)cc1,CID2195429,,,0.0,,,,,0.0,,,0.0,,,,,0.0,
CCOC(=O)NC(=O)COC(=O)c1ccc(O)cc1,CID2128129,,,,,,,,,,,,,,,0.0,,
O=C(O)CCCC(=O)NCCCCc1ccccc1,CID2166775,,,,,,,,,,,,0.0,0.0,,,,
CCOc1c(Cl)cc(/C=N/O)cc1OC,CID2120073,,,,,,,,,,,,0.0,,,,,
Cc1ccc(Cl)cc1NC(=O)CSC(N)=O,CID812203,,,,,,,,,,0.0,,,,,,,
CCOC(=O)C(NC(=O)CC)(Nc1ccccc1OC)C(F)(F)F,CID383676,,,,0.0,,,,,0.0,,,,,,,,0.0
CN(C(N)=S)c1ccccc1,CID723631,,,,,,,,,,,,,,,0.0,,
CC(C)(C)S(=O)(=O)c1ccccc1C(=O)O,CID649264,,,0.0,,,,,,0.0,,0.0,0.0,,,,,
CCOc1cc(C(N)=O)cc(Br)c1OC,CID900806,,,,,,,,,,,,0.0,,,,,
NC(=O)OCC(COC(N)=O)c1ccccc1,CID3331,,,,,0.0,,,,,0.0,,,,,,,
CC/C(=N\O)C(C)(C)/[N+]([O-])=C/c1ccc(Br)cc1,CID780172,0.0,,,,,,,,,,,,,,,0.0,0.0
COC(=O)C(O)(c1ccc(N(C)C(=O)OC(C)C)cc1)C(F)(F)F,CID2829549,,,,,,,,,0.0,,,,,,,,
CNC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(Cl)c1,CID2980579,,,0.0,0.0,,,,,,,0.0,,0.0,,,,
CCOC(=O)CCC(=O)Nc1ccccc1C(N)=O,CID1789210,,,,,0.0,,,0.0,,,,,,,,0.0,
CO/N=C/C(C#N)=C/c1ccc(OC)cc1,CID16195247,,,,,,,,,,,,,,0.0,,,
O=C(O)CCCCCNS(=O)(=O)c1ccc(Cl)cc1,CID1965826,,,,,,,,,,0.0,0.0,,0.0,,,,
CC(C)(O)C#Cc1ccccc1C(=O)NC(CC(N)=O)C(=O)O,CID2965178,,,,,0.0,,0.0,,,,,,,,,,
O=C(O)CCCNC(=O)Nc1ccccc1,CID3527272,,,,,,,,,,,,,,0.0,,,
CCC(C)c1ccc(OCC(=O)O)cc1,CID2913835,,,,,,,,,0.0,,0.0,,,,,0.0,
C=CCNC(=O)COC(=O)COc1ccc(Cl)cc1C,CID2435762,,,,,,,,,,,,,,0.0,,,
CC(=O)c1cccc(NC(=S)NC(=O)C(C)C)c1,CID1792463,,,,,,,,,,,,,,,0.0,,
CC(C)(C)C(=O)/C=C/Nc1ccccc1O,CID2187593,,,,,,,,,,0.0,,,,,,,
C/C(N)=C(/C#N)C(=O)COC(=O)CCSc1ccccc1,CID5742534,,,,,,,0.0,,,,,,,,,,0.0
CCCOc1cc(C)c(S(=O)(=O)NCCOC)cc1C,CID2304526,,,,,,,,0.0,,,,,,,,,
CCOCCNC(=O)c1ccccc1C(=O)NCCOCC,CID652706,,,,,,0.0,,0.0,,,,,,,,,
CCOC(=O)CC(/C(C)=N/O)c1ccccc1,CID661239,,,0.0,0.0,,,,,,,,,,,,,
CC(=O)Nc1ccc(S(=O)(=O)CCC#N)cc1,CID3239094,0.0,0.0,0.0,,,,,,,,0.0,,,,,,
CCOC(=O)/C(C(=O)c1ccccc1)=C(\N)NC(C)C,CID2209466,0.0,,0.0,0.0,0.0,,0.0,,,,,,,,,,
CC(C)CC(NS(=O)(=O)c1ccccc1)C(=O)O,CID3133133,,,,,,,,,,,,,,,0.0,,
CC(=O)Nc1ccc(N/C=C/C(=O)C(C)(C)C)cc1,CID2190180,,,0.0,0.0,,,0.0,0.0,,,,,,,,,
CCNC(=O)CCC(=O)Nc1cc(Cl)ccc1C,CID2223098,,0.0,,,,,,,,,,,,,,,0.0
CCOc1ccc(C(=O)COC(=O)CC)cc1,CID789317,,,,,,,,,,,,,,0.0,,0.0,
CC(C)C(=O)NC(=S)NCC(=O)c1ccccc1,CID2296016,,,,,,,,,,,,,,0.0,0.0,,
CCCCOC(=O)Nc1ccc(C(=O)OC)cc1,CID1640927,,,,0.0,,0.0,0.0,,,,,,,,0.0,0.0,0.0
CCOC(=O)/C(C#N)=N/Nc1cc(OC)ccc1OC,CID867281,,,,,,,,,,,,,,,0.0,,
CCC(C)C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1,CID651318,,,,,,,,,,,,,,,,,0.0
CCOC(=O)CC(=O)Nc1ccc(Br)cc1C(=O)O,CID680636,0.0,,,,,,,,,,,0.0,,,,,0.0
C/C(=N\NC(=S)NC(C)C)c1cccc([N+](=O)[O-])c1,CID5028622,,,,,,,,,,,,,,,0.0,,
CCCCCCC/C(C)=N/NC(=O)CC(=O)NCCc1ccccc1,CID11957123,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1ccccc1NC(=O)CC(C)CC(=O)O,CID3245943,,,,,,,,,,,,,0.0,,,,
CN(C)c1ccc(N/C=C/C(=O)C(C)(C)C)cc1,CID2187659,,,,,,,,,,0.0,0.0,,,,,,
CC(C)CN(CC(C)C)C(=O)/C=C/c1ccccc1,CID732127,,,,,,0.0,,,,,,,,,,,
COc1ccc(Br)cc1C(=O)O,CID881739,,,,,,,,,,,,,,,,,0.0
COc1ccccc1OCCCCNC(C)(C)C,CID2248871,,,,,,,0.0,0.0,,,0.0,,,,,,
CCOc1cc(C(=O)NC)cc(OCC)c1OCC,CID2315558,,,,,,0.0,,0.0,,,,,,0.0,,,0.0
COC(=O)COC(=O)c1ccc(O)cc1,CID805551,,,,,,,,,,,,0.0,,,,0.0,
CC(C)CN(CC(C)C)C(=O)CC(=O)NC(=O)c1ccc(Cl)cc1,CID3453240,,,,,,0.0,,,,,,,,,,,
CCOC(=O)/C=C/S(=O)(=O)c1ccc(NC(C)=O)cc1,CID1625575,,,0.0,,,,,,0.0,,,,,,,,
OCCNCCCCOc1ccccc1F,CID2250232,,0.0,,0.0,,,0.0,,,,,,,,,,
CCCOc1ccc(CC(CC(=O)O)(C(=O)O)C(=O)O)cc1,CID2241194,,,,,,,0.0,,,,,,,,,,
CCS(=O)(=O)C(=CNc1ccccc1)S(=O)(=O)CC,CID787249,,,,,,0.0,,,,,,,,,,,
CC(=O)NC(C)C(=O)OCc1ccc(Cl)cc1Cl,CID2999368,,,,,,,,,,,,,0.0,,,,
CCCN(CCC)S(=O)(=O)c1ccc(Cl)c(OC)c1,CID882485,,,,,,,,,,,,,,0.0,,,
COc1ccc(S(=O)(=O)NCCSC(C)(C)C)c(Cl)c1Cl,CID1815775,,,,,,,,,,0.0,,,,,,,
COCC(C)NCc1ccc(C)cc1C,CID2850780,,,,0.0,,,0.0,,,,0.0,,,,,,
CCOC(=O)C(NCCCO)c1ccccc1,CID649729,,,,0.0,0.0,,0.0,,,,0.0,,,,0.0,,0.0
COc1cc(CC(=O)O)c(C(C)=O)cc1OC,CID828011,,,0.0,,,0.0,,0.0,,,,,,0.0,,0.0,
CCOC(=O)CSC(=S)NC(=O)c1ccc(OC)cc1,CID2295131,,,,,,,,,,,,,,0.0,,,
CCN(CC)S(=O)(=O)c1cc(OC)c(C)cc1C,CID2284278,,,,,,,,,,,,,,0.0,,,
COc1cc(NC(=O)NC(C(=O)O)C(C)C)cc(OC)c1,CID663678,,,,,,,,0.0,,,,0.0,0.0,,,,
CC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1cc(Cl)ccc1Cl,CID4184695,,,,,,,0.0,,0.0,,,,,,,,
COCCCNC(=O)c1c(F)c(F)c(F)c(F)c1F,CID2933250,,,,,,,,,0.0,,,,,,,,
C/C(=N\O)C(C)(C)NC(=O)Nc1ccc(Cl)cc1,CID666758,0.0,,,,,,0.0,,,0.0,,,,,,0.0,
CC(=O)NCCC(=O)Nc1cc(F)ccc1C,CID4879619,,,,,,0.0,,,,,,,,,,,
Cc1cc(C)c(NC(=O)CCCC(=O)O)c(Cl)c1,CID785988,,,,,,,,,0.0,0.0,,,,0.0,,,
CCCCOc1ccc(C(=O)CCNC(C(=O)O)C(C)CC)cc1,CID2979840,,,,,,,0.0,,,,,,,,,,0.0
CC(C)OCCCNC(=O)c1ccc(NS(C)(=O)=O)cc1,CID2228715,,,,,,,,0.0,,,,,0.0,,,,
CCNC(=S)NS(=O)(=O)c1ccccc1,CID914065,,,,,,0.0,,,,,,,,,,,
CC(=O)NCC(=O)OCC(=O)c1ccc(C)cc1,CID1613687,,,0.0,,,,,,0.0,0.0,,,,,,0.0,
CC(=O)NS(=O)(=O)c1ccc(NC(=S)NC(=O)C(C)(C)C)cc1,CID2185057,,,,,,0.0,,,,,,,,,,,
NC(=O)NC(=O)Nc1ccccc1Cl,CID3238637,,,,,,,0.0,,,,,,,,,,
O=C(O)c1ccc(OC(F)(F)C(F)C(F)(F)F)cc1,CID2998630,,,,,,,,,0.0,,,,,,,,
NC(=O)NC(=O)CSc1cccc(C(F)(F)F)c1,CID2591982,,,,,,,,,,,,,,,,,0.0
CCCCOC(=O)Nc1cccc(C(=O)OCC)c1,CID1562682,,,,,,,,,0.0,,,,,,,,
CCCCOC(=O)Nc1ccc(C(=O)OCCC)cc1,CID1562683,,,,,,,,0.0,,,,,,,,0.0,
CCCCOC(=O)Nc1ccccc1C(N)=O,CID1562686,,0.0,0.0,0.0,0.0,,,,,,,,,,,0.0,
CCOc1ccc(C(=O)C(C)=O)c(OCC)c1,CID2200838,,,,,,,,,,,,,,0.0,,,
CCCNC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1,CID3245093,,,,,,,,,,0.0,,,,,,,
CC(C)(C)NC(=O)COC(=O)Cc1ccc(Cl)cc1,CID2416174,,,,,,,,,,0.0,,,,0.0,,,0.0
Cc1ccc(CC(=O)NCC(C)C)cc1,CID890076,,,,,,,,,,,,,0.0,,,0.0,
CCOc1ccccc1OCC(=O)O,CID351531,,,,,,,,0.0,0.0,,,,,0.0,,0.0,
COCC(=O)Nc1ccc(Br)cc1C,CID885617,,,,,,,,,,,,,,0.0,,,
COCCNC(=O)C(=O)Nc1ccccc1OC,CID2250932,,,,,,0.0,,,,,,,,,,,
CCOC(=O)N(C)OC(=O)Nc1ccc(Cl)c(Cl)c1,CID3864297,,,,,,,,,0.0,,,0.0,,,,,
CCCNS(=O)(=O)c1ccc(OCC(=O)NCCCOC)cc1,CID2204731,,,,,,,,0.0,,,,,,,,,
COC(=O)C(OC(=O)c1ccc(OC)cc1)C(=O)OC,CID848519,,,,,,,,,,,0.0,,,,,,
CCCCN(C(=O)NC(=O)Nc1cccc(C)c1C)S(C)(=O)=O,CID2333021,,,,0.0,,,,,,,,,0.0,,0.0,0.0,
CCOC(=O)C(NC(=O)Nc1ccccc1)(OCC)C(F)(F)F,CID657797,,,,0.0,,,0.0,,0.0,0.0,,,,,,,0.0
CCc1ccc(C(=O)NNC(=O)OC)cc1,CID5060885,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C(NC(=O)Nc1ccc(F)cc1)(OCC)C(F)(F)F,CID657791,,,,,,,,,0.0,,,,,,,,0.0
CCCCOC(=O)Nc1cc(OC)c(Cl)cc1OC,CID1562722,,0.0,0.0,0.0,,,,,,,,,,0.0,,,0.0
CCCCOC(=O)Nc1ccc(C)c(Cl)c1,CID1562726,,,,,,,,,,0.0,,,,,0.0,,
C=C(C)C(=O)Nc1ccc(OC(F)(F)C(F)F)c(NC(=O)C(=C)C)c1,CID549527,,,,,,,,,0.0,,,,,,,,
CCCOc1c(Br)cc(C(N)=O)cc1OC,CID1796408,,,,,,,,,,,,0.0,,,,,
CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)O)cc1,CID2211233,,,0.0,,,,,0.0,0.0,,0.0,,,,,,
CCCCc1ccc(CC(=O)O)cc1,CID1712193,,,0.0,0.0,,0.0,,,,,,,,,,,
Cc1cc(/C(=N\O)C(C)(C)NO)ccc1Cl,CID3243189,0.0,,,,,,,,,,,,,,,0.0,
CCOC(=O)CNC(=O)c1ccccc1,CID226558,,,,,,,,,,,,,,0.0,,,
CCCC(C)C(=O)NCc1ccccc1OC,CID2890938,,,,,,0.0,0.0,,,,,,0.0,,,,
CSC(=NNC(=O)c1ccccc1O)SC,CID830148,,,,,,0.0,,,,,,,,,,,
Cc1ccccc1OCC(=O)NCCC(=O)O,CID1580554,,,,,,,,,,,,,0.0,,,,
Cc1cc(Cl)ccc1OCC(=O)NCCC(=O)O,CID1580550,,,,,,,,,,,,,,0.0,0.0,,0.0
COCC(=O)Nc1cc([N+](=O)[O-])ccc1C,CID885996,,,,,,0.0,,,,,,,,,,,
C/C(N)=C(/C#N)C(=O)COC(=O)CCCNC(=O)c1ccc(Cl)cc1,CID6383490,,,,,,,,,,,,,,,0.0,,
COc1ccc(OC)c(C(C)NC=O)c1,CID3115587,,,0.0,,,,,,,,0.0,,,,,,
CCOC(=O)C(CCCOc1ccccc1)C(=O)OCC,CID239013,,,,,,,,,,,,,,0.0,,,
CCCCC(O)(CCCC)C(=O)NN(C(=O)OCC)c1ccccc1,CID3749028,,,,,,,,,,,,,,,0.0,,
COc1ccccc1OCCCCNCCO,CID2247300,,,,,0.0,,0.0,0.0,,0.0,,,,,,,
CCC(Oc1ccc(C)c(C)c1)C(=O)O,CID3246779,,,,,,,,,,,,0.0,,,,0.0,
CC(C)C(=O)NNc1ccccc1,CID221396,,,,,,,,,,,,,,0.0,,,
CC(C)(C)SCCNC(=O)c1ccccc1,CID2285404,,,,,,,,,,,,,,,0.0,,
COc1cc(C)c(Cl)cc1S(=O)(=O)N(C)C,CID934502,,0.0,,,,,,,,0.0,,,,,,,
CCCCOCCCNS(=O)(=O)c1ccccc1,CID2163994,,0.0,,0.0,0.0,,0.0,,,,,,,,,,
COc1ccc(Cl)cc1NC(=O)C/C(C)=N/NC(=O)CC#N,CID3112912,,,,,,,,,,,,,,0.0,,,
COCCNC(=O)CCSCc1ccccc1F,CID3236068,,,0.0,,0.0,,,,,0.0,,,,,,,
COCC(=O)Nc1cc(OC)c(Cl)cc1OC,CID885819,,0.0,,,,,,,,,,,,,,,0.0
CC(C)(C)CC(=O)Nc1ccc(C(N)=O)cc1,CID848172,,,,,,,,,,,,0.0,,,,,
CS(=O)(=O)N(CCC(=O)O)Cc1ccccc1,CID646687,,,,,,,,,,,,,0.0,,,,
Cc1ccc(C(=O)NCC(C)(C)O)cc1,CID659449,,,0.0,,,,,0.0,,,,,,,,0.0,
CC(C)(C)C(=O)NC(=S)NCCc1ccccc1,CID2294260,,,,,,,,,,,,0.0,,,,,
NS(=O)(=O)c1ccc(C(=O)O)cc1,CID8739,,,0.0,,,,,,,0.0,0.0,,,,,,
COCC(=O)Nc1ccc([N+](=O)[O-])cc1C,CID2915336,,,,,,,,,,,,,,0.0,,,
CC(C)(C)S(=O)(=O)/C(C#N)=N/Nc1ccc(Cl)cc1,CID4516212,,,,,,,,,,,,,,,0.0,,
CC(=O)Nc1ccc(Cl)cc1C(=O)O,CID346199,,0.0,,0.0,,,,,0.0,,,,0.0,,0.0,,
CC(=O)c1cccc(NC(=O)C=C(C)C)c1,CID731848,,,,,,,,,,,,,,,,0.0,
CCONC(=O)Nc1ccccc1,CID2141759,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(NC(=O)C(C)SC(N)=O)cc1,CID3776906,,,,,0.0,,0.0,0.0,,,,,0.0,,,,
CCOC(=O)/C(=C/c1ccc(O)cc1)C(C)=O,CID878669,,,,,,0.0,,,,,,,,,,,
C=CCNC(=O)CSc1ccc(Cl)cc1,CID2272364,,0.0,,,,,,,,,,,,,,,
COCCNC(=O)Cc1ccc(Br)cc1,CID2272264,0.0,,,,,,,,,,,,,,,,
Cc1ccccc1NC(=O)CC(O)(C(F)(F)F)C(F)(F)F,CID757298,,,,,,,,,0.0,,,,,,,,
C=CCN(CC=C)C(=S)Nc1ccccc1,CID853783,,,,,,0.0,,,,,,,,,,,
CCCCCCNC(=O)Nc1ccccc1,CID2057897,,,0.0,0.0,,0.0,,,,,,0.0,0.0,,,0.0,
C=CCNC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O,CID2217799,,,,,,,,,,,,,0.0,,,,0.0
Nc1cccc(C(=O)O)c1,CID7419,,,,,,,,,,,,,0.0,,,,
CCOc1cc(C(=O)NCCOC)ccc1OC,CID2224414,,,,,,,,0.0,,,,,,,,1.0,
CCN(CC)C(=O)c1ccc(C)c(Br)c1,CID730213,,,,,,,0.0,,,,,0.0,,0.0,,,
COc1ccc(C(NC(=O)CC(C)C)NC(=O)CC(C)C)cc1OC,CID2268655,,,,,,0.0,,,,,,,,,0.0,,
CCN(CC)C(=S)SCC(=O)Nc1ccc(F)cc1,CID2288824,,,,,,0.0,,,,,,,,,,,
NC(=O)CSCc1ccc(Br)cc1,CID838654,,,,,,,0.0,,0.0,,,,,,,,
COC(=O)C(C)NS(=O)(=O)c1ccc(NC(C)=O)cc1,CID3245529,,,,0.0,,,,,,,,,0.0,,,,
COC(=O)CNC(=O)C(C)NC(=O)OCc1ccccc1,CID294920,,,,0.0,0.0,,,0.0,,0.0,,,0.0,,,,
COC(=O)C(NC(=O)Nc1cccc(OC)c1)C(C)C,CID943517,,,,,,0.0,,,,0.0,,,,,,,
N#CCC(=O)NCCCOC(=O)Nc1ccc(Cl)c(Cl)c1,CID2058050,0.0,0.0,,,,,,,,,,,,,,,
O=C(O)CCCC(=O)Nc1cccc(C(F)(F)F)c1,CID684437,,,,0.0,,,,,,,,,,,,,
CCOC(=O)NCc1ccc(Cl)c(Cl)c1,CID896583,,,,,,,,,0.0,,,,,,,0.0,
CCOC(=O)c1ccccc1NC(=O)NC(C)C(=O)OC,CID940820,,,,,,,,,,0.0,0.0,,,,,,
CC(C)(C)c1ccc(S(=O)(=O)NCCOCC(F)(F)C(F)F)cc1,CID2229858,,,,,,,,,,,,,,0.0,,,0.0
CCOC(=O)N=S(N)(=O)c1ccccc1,CID2999456,,,,,0.0,,,,,,,,,,,,
CCOC(=O)C(CCOc1cc(C)cc(C)c1C)C(=O)OCC,CID5347653,,,,,,0.0,,,,,,,,,,,
CCCCOc1ccc(S(N)(=O)=O)cc1,CID2049187,,,,,0.0,,0.0,,,,,,,,,,
COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)N(CC(C)C)CC(C)C)c1OC,CID2554286,,,,,,,,,,,,,,,0.0,,
COC(=O)C(CCSC)NC(=O)NCc1ccc(S(N)(=O)=O)cc1,CID663930,,,,,,,,,,,,0.0,,,,0.0,
COC(=O)C(CCSC)NC(=O)Nc1ccc(C(C)C)cc1,CID663932,,,0.0,0.0,,,,,,,,,0.0,,,,0.0
COCCNC(=O)C(=O)Nc1ccccc1C,CID616753,,,,,,0.0,,,,,,,,,,,
CCNC(=S)NNC(=O)c1cccc(Br)c1,CID2856609,,,,,,,,,,,,,,0.0,,,
CCNS(=O)(=O)c1ccc(OCCNS(C)(=O)=O)cc1,CID1811202,,,,0.0,0.0,,0.0,,,,,,,,,,
CCCCNC(=O)Nc1cc(C(=O)OC)ccc1C,CID2174235,,,,0.0,,,,,,,,0.0,0.0,,,0.0,
CCN(CC)C(=O)COC(=O)c1ccc(O)cc1,CID2299102,,,,,,,,0.0,,0.0,,,,,,0.0,0.0
CON/C=N/C(=O)NOCc1ccc(Cl)cc1Cl,CID3751378,,,,,,,,,0.0,,,,,,,,
Cc1cc([N+](=O)[O-])ccc1N(C)C,CID141707,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(C(=O)NCCC(=O)NCCCC(=O)O)cc1,CID1903614,,,,0.0,,,,,,,,,,,,,
CC(C)(C)C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl,CID2235276,,,,,,,,,,,,0.0,,,,,
CC(C)(C)OC(=O)N(Cc1ccccc1)S(C)(=O)=O,CID1484590,,,,,,,,,,,,,,0.0,,,
CN(C)C(=O)Oc1ccc(OC(=O)N(C)C)cc1,CID44939,,,,0.0,,,,0.0,,,,,,,,0.0,
CCS(=O)(=O)NCCc1ccc(OC)c(OC)c1,CID896384,,,,,0.0,,0.0,,,,,,,,,,
CCCOc1c(Br)cc(/C=N/O)cc1OC,CID1580070,,,,,,,,,,,,0.0,,,,,
CCN(CC)S(=O)(=O)c1ccc(Cl)c(OC)c1,CID801454,,,,,,,,,,0.0,,0.0,,0.0,,,
CNC(=O)COC(=O)c1cc(F)c(F)cc1Cl,CID2433036,,,,0.0,,,0.0,,,0.0,,0.0,,,,,
CCOc1ccccc1NC(=O)/C=C/C(N)=O,CID749737,,,,,,,,,,,,0.0,,,,,
CC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1cccc(C(C)=O)c1,CID3239314,,,0.0,,,,,,,,,,,,,,
COCCCNC(=O)C(=O)NCCc1ccc(OC)cc1,CID2876251,,,,,,0.0,,,,,,,,,,,
C=C(C)C(=O)OCC(=O)NCc1ccccc1,CID2447792,,,,,,,,,,,,,,,0.0,,
CNC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O,CID880010,,,,,,,,0.0,,,,,0.0,,,,
CC(=O)Nc1ccccc1OC(=O)N(C)C,CID655378,,,,0.0,,,,,,0.0,,,0.0,,,0.0,
C=CCN(CC=C)C(=S)NC(=O)/C=C/c1ccccc1,CID1791940,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1NNC(N)=S,CID1490896,,,,,,,,,,,,,,0.0,,,
CC(C)(C)NC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1,CID1203452,,,,,,,,,,,,,,,0.0,,
CC(=O)Nc1ccccc1NC(=O)C(F)(F)F,CID885921,,,,0.0,,,,,0.0,,,,,,,,
CCOCC(=O)Nc1cc(Cl)c(OC)cc1OC,CID1731935,,,,,,,,,,,,,,0.0,,,
COCCCNC(=O)c1ccc(NS(C)(=O)=O)cc1,CID2223334,,,,0.0,,,0.0,,,0.0,,,0.0,,,,
CC(=O)Nc1ccc(NC(=O)CCC(=O)NCCO)cc1,CID1880161,,,,,0.0,,,,,,,,,,,,
CCC(C)C(NC(=O)NCc1cccc(OC)c1)C(=O)O,CID663430,,,,0.0,,,,,,,,,,,,,0.0
CCOc1ccc(C(=O)O)cc1OC,CID77069,,,0.0,,,,,0.0,,,,,,0.0,,,
O=C(O)CCCCCNC(=O)c1ccccc1,CID70388,,,,,,0.0,,,,,,0.0,,,,,
CCOC(=O)c1ccccc1NN=C(C(C)=O)C(C)=O,CID830081,,,,,,,,,,,,,,,0.0,,
CCOC(=O)CCCNC(=O)COC(=O)CCC(=O)c1ccc(F)cc1,CID2999298,,,,,,,,0.0,0.0,,,,,,,,
CC(C)N(C(=O)COC(=O)c1ccc(O)cc1)C(C)C,CID2388546,,,0.0,,,,,,,,0.0,,,,,0.0,
Cc1ccc(NC(=O)CSCC(N)=O)cc1C,CID1249855,,,,,0.0,,0.0,,,,,,,,,,
CCNS(=O)(=O)c1cc(OC)ccc1OC,CID729552,,,,,,,,,,,,,,,0.0,,
CC(C)Oc1ccc(NC(N)=O)cc1,CID744412,,,,,,0.0,,,,,,,,,,,
COCCNC(=O)C(=O)NCc1ccc(C)cc1,CID2273741,,,,,,0.0,,,,,,,,,,,
CCC(=O)Nc1cc(Cl)ccc1C(=O)O,CID1331752,,,,,,,,,,0.0,,,,0.0,,,
COc1cccc(NC(=O)CSCC(=O)O)c1,CID787591,,,,,,,,,0.0,,,,,,,,
COCCNC(=O)c1cc(Br)ccc1Cl,CID2203609,,,,,,,,,,,,,,,,,0.0
O=C(O)CCCCCNC(=O)c1ccc(Br)cc1,CID2054805,,,,,,,,,,,0.0,0.0,,,,,
CCC(Sc1ccc(C(=O)O)cc1)C(=O)O,CID2876026,,,,,,,,,0.0,,,0.0,,,,,0.0
COC(=O)CNC(=O)CNC(=O)Nc1ccccc1Cl,CID2219247,,,,,,,,,,,,,,0.0,,,
CCN(CC)c1ccc(/C=N/C(C#N)=C(\N)C#N)cc1,CID3238678,,0.0,,0.0,,0.0,,,,,,,,,,,
CCCCCC/C(=N\NS(C)(=O)=O)c1ccccc1,CID2847708,,,,,,,,,,,0.0,,,,,,
CC(C)(C)S(=O)(=O)c1c(C(=O)O)cccc1C(=O)O,CID658728,,,,,0.0,,0.0,,0.0,,,,,,,,
C=CCNC(=S)NNC(=O)c1ccc(OCCCC)cc1,CID1728346,,,,,,,,,,,,,,,0.0,,
C=CCNC(=S)NNC(=O)COc1ccc(Br)cc1,CID1728348,,,,,,,,,,,,,,0.0,,,
C=CCNC(=O)COC(=O)COc1ccc(Cl)cc1,CID2432738,,,,,,,,,,,,,,0.0,,,
CNC(=O)NC(=O)CSc1ccc(NC(C)=O)cc1,CID2998467,,0.0,,0.0,,,0.0,,,,,,,,,,
C=CCN(c1ccc(C(N)=O)cc1)S(C)(=O)=O,CID966846,,0.0,,,0.0,,,,0.0,,,,,,,,
CCOC(=O)C(NC(C)=O)C(=O)Nc1ccc(C(C)(C)C)cc1,CID3723876,,,,,,,,,,,,,,,0.0,,
COc1cc(CC(=O)O)c([N+](=O)[O-])cc1OC,CID270941,,,,,,0.0,,,,,,,,,,,
Cc1cccc(OCCCC(=O)NC(C)C)c1,CID1565317,,,,,,,,,,0.0,0.0,,,,,,
COC(=O)C(NC(=O)NC(C)CCc1ccccc1)C(C)C,CID664807,,,,,,0.0,,,,0.0,,,,,,,
CCc1ccc(OCCCC(=O)O)c(Br)c1,CID1576014,0.0,,,,,,,,,,,,,,,,
CC(C)C(=O)OCC(=O)NCc1ccccc1Cl,CID2112567,,,,,,,,,,,,,,0.0,0.0,,
CC(N)(C(=O)O)c1ccc(C(=O)O)cc1,CID1222,,,,,,,,0.0,,,,,,,,,
COCC(=O)Nc1ccc(Br)c(C)c1,CID797782,,,,,,,,,,,,,,0.0,,,
COC(=O)C(NC(=O)Nc1ccc(C(C)=O)cc1)C(C)C,CID663581,,0.0,,0.0,,,,0.0,,0.0,,,,,0.0,,
CCOc1ccc(C(=O)NCC(C)C)cc1,CID222006,,,,,,,,,,,0.0,,,,,,
CC(C)COC(=O)NCCOC(=O)Nc1cccc(Cl)c1,CID658386,,0.0,,,,,0.0,,,,,,0.0,,,0.0,
CCOCCCNS(=O)(=O)Cc1ccccc1,CID2180838,,0.0,,,0.0,,,0.0,0.0,,,,,,,,
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(C)C)S(C)(=O)=O,CID967616,,,,,,,,,,,,,,,0.0,,
COc1cccc(OCCOCCN(C)CCO)c1,CID2280852,,0.0,,,0.0,,,0.0,,,,,,,,0.0,0.0
CCOC(=O)c1ccc(NC(=O)N(CC)CC)cc1,CID1322658,,,,,,,,,,,,,,,,0.0,
CNC(=O)/C(=N\O)c1ccccc1,CID6400952,,,,,,,,0.0,,0.0,,,0.0,,,,
COCCNC(=O)c1ccc(NS(C)(=O)=O)cc1,CID2217871,,,,,,,0.0,,,,,,,,,,
CCCCC(CC)C(=O)NCCc1ccc(S(N)(=O)=O)cc1,CID2904652,,,,,,,,,,,0.0,,,,,,
O=C(O)CSCC(=O)Nc1ccc(C(=O)O)cc1,CID1483390,,,,,,,,,0.0,0.0,,0.0,,,,,
C#CCNC(=O)/C=C/c1ccc(OC)cc1,CID5461260,,,,,,,,,,,,,,0.0,0.0,,
COC(=O)C(CC(C)C)NC(=O)c1ccc(F)cc1,CID2915918,,,0.0,0.0,,,,,,0.0,0.0,,0.0,,,,
COc1ccc(C(=O)NC(CC(C)C)C(=O)O)cc1OC,CID2955124,,,,,,,,,,0.0,,,,,,,
CCCCCOc1ccccc1C(=O)NCCCC(=O)O,CID658485,0.0,,0.0,0.0,,,,0.0,,,,,,,,,
COc1ccccc1NC(=O)NC(N)=O,CID762507,,0.0,,,,,,0.0,,,,,0.0,,,,
CCCSc1cc(N)cc([N+](=O)[O-])c1,CID4327967,,,,,,,,,,,,,,0.0,,,
COCCNC(=O)C(C)N(c1ccc(OC)cc1)S(C)(=O)=O,CID3139036,,,,,,,,,0.0,,,,,,,,
COc1cc(C(=O)NCC(C)C)cc(OC)c1OC,CID835642,,,,,,0.0,,,,,,,,,0.0,,
CCCCCCc1ccc(OCC(=O)O)cc1OCC(=O)O,CID666276,,,,,,0.0,0.0,0.0,,,,,0.0,,,,
CC(C)CC(NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1,CID657614,,,,,,0.0,,0.0,,,,,,,,,
NC(=O)Nc1ccc(F)cc1,CID12612,,,,,,,,,0.0,,,,,,,,
C=CC/N=C(\NC#N)SCCc1ccccc1,CID660478,,,0.0,,,,,,,,,,,,0.0,,0.0
CCC(CC)C(=O)Nc1cc(OC)c(OC)cc1C(=O)O,CID748118,,,,,,,0.0,,,,,,,,,0.0,
CC(C)C(NC(=O)OCc1ccccc1)C(=O)O,CID97743,,,,,,0.0,,,,,,,,,,,
CCCCN(C(=O)NC(=O)Nc1ccccc1C)S(C)(=O)=O,CID3239007,,,0.0,,,,,0.0,,,,,,,,0.0,
COc1ccc(NC(=S)NNC(=O)OC(C)(C)C)cc1OC,CID2204769,,,,,,,,,,,0.0,,,,,,
CCOC(=O)CNS(=O)(=O)c1ccc(C(=O)O)cc1,CID665828,,,0.0,,0.0,,,,,,0.0,,,,,,
O=C(O)CCCCCNS(=O)(=O)/C=C/c1ccccc1,CID2063494,,,,,,,,,,,,,,0.0,,,
CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1,CID2727,,,,,,,,,,0.0,,,,,,,
COCCNC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O,CID2277124,,,,,,,,,,,,0.0,0.0,,,,
C=CCC(C#Cc1ccc(C)cc1)N(CC)CC,CID3440235,,,,,,,,,,0.0,,,,,,,
COC(=O)c1c(C)cc(OC(C)=O)c(C)c1OC(C)=O,CID877972,,,,,,,,,,,,,,0.0,,,
CC(C)NS(=O)(=O)c1cc(C(=O)O)ccc1Cl,CID974897,,,,0.0,,,,,,,,,,,,,0.0
CCCOc1ccc(/C=C/C(=O)O)cc1OC,CID1563374,,,,,,,,,,,,,,0.0,,,
CN(C)S(=O)(=O)c1c(Cl)cccc1Cl,CID697958,,,,,,,,,,0.0,,,,,,,
CCCN(CCO)Cc1ccc(Cl)c(Cl)c1,CID782989,,,,,,,0.0,,0.0,,,,,,,,
COC(=O)NC(=C(Cl)Cl)S(=O)(=O)c1ccccc1,CID1539695,,,,,,,,,,,,0.0,,,,,
Cc1ccc(N/C=C/C(=O)C(C)(C)C)c(O)c1,CID2187695,,,,,,,,,,,0.0,,,,0.0,,
CCOC(=O)/C(C(C)=O)=C(\N)NC(=O)Nc1ccccc1,CID2189636,,,,,0.0,,,,,,,,,,,,
CCOc1ccc(N(CC(=O)NCC(C)C)S(C)(=O)=O)cc1,CID2259761,,,,0.0,,,,,,,,,,,,,
CCCCCNC(=O)CCc1ccccc1,CID1744191,,,,,,,,,,,,,,0.0,,,
CN(C)c1ccc(/C=[N+](\[O-])C(C)(C)/C=N/O)cc1,CID796139,,,,,,0.0,,,,,,,,,,0.0,
O=C(O)CNC(=O)c1ccc(OC(F)F)cc1,CID2316882,,,,,,,,,,,,,0.0,,,0.0,
CN(C)c1ccc(NC(N)=S)cc1,CID2758514,,,,,,,,,,,,,,0.0,,,
CCCNC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O,CID2226135,,,,0.0,,,,,,,,,0.0,,,,0.0
CSCCC(NC(N)=O)C(=O)NCc1ccccc1Cl,CID2997507,,0.0,,,,,,,,,,,,,,0.0,
COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)O)c1,CID935064,,,,,,,0.0,,,,,,0.0,,,,
CNC(=O)CCC(=O)Nc1ccc(C(=O)OC)cc1,CID935063,,,,0.0,0.0,,,,,,,,,,,0.0,0.0
Cc1cc(OCC(=O)NC(C)(C)C)ccc1Cl,CID883858,,,,,,,,,,,,,,0.0,,,
CCNC(=O)NC(=O)C(C)Oc1ccc(C(=O)OC)cc1,CID2998463,,,,,,,,,,,0.0,,,,,,
O=C(O)c1ccc(COCC(F)(F)F)cc1,CID888940,,,,,,,,,,,,,,,,,0.0
O=C(O)CCCCCNC(=O)c1ccccc1Br,CID1904929,,,,,,,,,,,,0.0,,0.0,,,
COC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O,CID694100,,,,,,,,,0.0,,,,,,,,
CCOC(=O)C(O)(CC(=O)c1ccccc1)C(F)(F)F,CID2969139,,,,,,,,,0.0,,,,,,,,
CCC(CC)=NNc1cccc([N+](=O)[O-])c1,CID4109733,,,,,,,,,,,,,,0.0,,,
O=Cc1ccc(O)c(O)c1,CID8768,,,,,,,,,,0.0,,,,,,,
Cc1ccc(NC(=O)CSCC(=O)O)c(C)c1,CID2120057,,,,0.0,0.0,,,,0.0,,,,0.0,,,,
Cc1ccc(S(=O)(=O)NCCSC(C)(C)C)cc1,CID2288073,,,,,,0.0,,,,0.0,,,,,,,
CCCNC(=O)c1cc(SC)ccc1Cl,CID2961456,,,,,,,0.0,,,,,,,,,,
COCCCNS(=O)(=O)c1ccccc1,CID1722518,,,,,0.0,,,,,,,,,,,,
COc1ccc(/C=N/NC(=O)C(N)=O)c(OC)c1OC,CID2166178,,,,,,,,,,,,,,0.0,,,
CCCc1ccc(OCCNC(C)=O)cc1,CID2306765,,,,0.0,,,,,,,,,,,,0.0,
NC(=S)N/N=C/c1cccc(Br)c1,CID1567779,,,,,,,,,,,,,,0.0,,,
Nc1ccccc1C(=O)Nc1cccc(C(=O)O)c1,CID3240217,,,,,0.0,,,0.0,,,,,,,,,
CCC(=O)Nc1ccc(NC(=O)c2ccc(OCC(C)C)cc2)cc1,CID5346527,,,,,,0.0,,,,,,,,,,,
CCSc1ccccc1C(=O)Nc1cccc(OC)c1,CID970485,,,,,0.0,,,0.0,,,,,,,,,
COC(=O)c1ccc(NC(=O)c2cccc(OC)c2)cc1,CID743729,,,,,,,0.0,,,,0.0,,,0.0,,0.0,0.0
COc1cc(SC)ccc1C(=O)Nc1ccccc1C#N,CID670182,0.0,,0.0,0.0,0.0,,,,0.0,,,0.0,,,,,
COc1cc(Cl)c(C)cc1NC(=O)c1cccc(OC)c1OC,CID912377,,,,,,,,,,,,,,0.0,,,
CSCc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1,CID2558823,,,,,,,,,,,,,,0.0,,,
COc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc(OC)c1OC,CID1272637,,,,,,,,,,0.0,,,,,,0.0,
CCOc1ccccc1C(=O)Nc1cc(OC)ccc1OC,CID871808,,,,,,,0.0,,,,,,0.0,,,0.0,
COCCNC(=O)c1ccccc1NC(=O)c1ccccc1SC,CID2229916,,,,,,,,,,,,,,0.0,,,
CSc1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1C,CID2242312,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccc(NC(=O)c2ccccc2NS(C)(=O)=O)cc1,CID966833,,,0.0,0.0,,,,0.0,0.0,,0.0,,,,,0.0,
CCOc1ccc(NC(=O)c2ccc(N)cc2)cc1,CID790566,0.0,0.0,,,,,0.0,,,,0.0,,,,,,
CCCC(=O)Nc1cccc(NC(=O)c2ccccc2Br)c1,CID1048267,,,,,,,,,,,,0.0,,,,,
CCOc1cc(C(=O)N(C)c2ccccc2)cc(OCC)c1OCC,CID669598,0.0,0.0,0.0,,,,0.0,0.0,,,,0.0,,,,,
CN(C)c1cccc(C(=O)Nc2cccc(F)c2)c1,CID690531,,,,0.0,,,,,,,0.0,,,,,,
CSc1ccc(C#N)cc1NC(=O)c1ccccc1,CID1471767,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(N)=O)cc1NC(=O)c1cccc(F)c1,CID869542,,,,,,,,0.0,,,,,,,,,
COc1cc(C(=O)Nc2ccc(OCC(=O)O)cc2)cc(OC)c1OC,CID1343254,,,0.0,,,,,,,,,,,,,0.0,
COc1cccc(C(=O)Nc2ccc(C)cc2)c1,CID827641,,,,,,,0.0,,0.0,0.0,0.0,,0.0,,0.0,,
COc1ccccc1NC(=O)c1cc(C(=O)O)ccc1C(=O)O,CID658847,,,0.0,,,,,0.0,,,,,0.0,,,,
COc1ccccc1C(=O)Nc1ccccc1SC,CID307235,,0.0,0.0,,0.0,,,,0.0,,,,,,,,
NC(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1,CID870348,,,,,,0.0,,,,,,,,,,,
Cc1cc(Br)cc(C)c1NC(=O)c1ccc(C#N)cc1F,CID886305,,,,,,,,,,,,,,0.0,0.0,,
CCOc1cc(C(=O)Nc2ccccc2F)cc(Br)c1OCC,CID1008070,,,,,,,,,,,,,,,0.0,,
CCOC(=O)Nc1cccc(NC(=O)c2cc(OC)cc(OC)c2)c1,CID973303,,,,,,,0.0,,0.0,,0.0,0.0,0.0,,,0.0,0.0
CCCCOC(=O)c1ccc(NC(=O)c2c(OC)cccc2OC)cc1,CID1576340,,,,,,,,,,,,,,,0.0,,
COc1cc(OC)cc(C(=O)Nc2c(C)cccc2C)c1,CID4021575,,,,,,0.0,,,,,,,,,,,
Cc1cccc(C(=O)O)c1NC(=O)c1ccc(F)cc1,CID869785,,,,0.0,,,,,,,,,0.0,,,,
COC(=O)c1ccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1,CID1319487,,,,0.0,,,0.0,0.0,0.0,,,,,,,0.0,
COc1cccc(C(=O)Nc2ccccc2)c1,CID835330,,,,,,,,,0.0,0.0,0.0,,,,0.0,,
CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Br,CID1095375,,,,,,,,,,,,,,,0.0,,
CC(C)C(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1,CID1307626,,,,,,,,,,,,,,,0.0,,
CC(C)CC(=O)NC(=S)Nc1ccccc1C(=O)Nc1ccccc1,CID1791737,,,,,,,,,,,,,,0.0,,,
COc1cc(C(=O)Nc2ccc(O)cc2)ccc1OC(C)=O,CID804634,,,,,,,,,,0.0,,0.0,,,,,
CCOC(=O)COc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1,CID733362,,,,,,,,,,,,,,0.0,,,
CCNc1ccc(C(=O)OCC)cc1NC(=O)c1cccc(N(C)C)c1,CID2322493,,0.0,0.0,,,,,,0.0,,,0.0,,,,,0.0
CN(C)S(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2O)c1,CID1262342,0.0,,,0.0,,,,,,0.0,,,0.0,,,,0.0
COc1cc(NS(C)(=O)=O)c(OC)cc1NC(=O)c1ccccc1,CID1320984,,,0.0,,0.0,,,,,0.0,0.0,,,,,0.0,
O=C(Nc1ccccc1)c1ccccc1NC(=O)C(F)(F)F,CID772854,,,,,,,,,,,,0.0,,,,,
COc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1[N+](=O)[O-],CID873854,,,,,,0.0,,,,,,,,,,,
CCN(CC)c1ccc(NC(=O)c2cccc(C)c2OC)c(C)c1,CID959455,,,,,0.0,,,,,,,,0.0,,,,0.0
O=C(Nc1ccccc1O)c1ccc(Cl)cc1,CID3239831,0.0,,,0.0,,,0.0,,,0.0,,,,,,0.0,
COc1ccc(NC(=O)c2ccccc2C)c(OC)c1,CID757144,,,,,,,0.0,,0.0,0.0,,,,,,0.0,0.0
COc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1OC,CID2062236,,,,,,,,,,,,,,,0.0,,
COc1ccccc1C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1,CID967186,,,,0.0,,,0.0,,0.0,,,,,,,,
CCOC(=O)c1ccccc1NC(=O)c1ccccc1NS(C)(=O)=O,CID1266830,,0.0,,0.0,,,,,0.0,,,,,0.0,,0.0,
Cc1ccccc1C(=O)Nc1cccc(N)c1,CID721123,,,,,,,,,,0.0,,0.0,,,,,
O=C(Nc1cccc(F)c1)c1c(F)c(F)c(F)c(F)c1F,CID2169661,,,,,,,,,0.0,,,,,,,,0.0
COCCOC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1,CID1630864,,,,,,0.0,,,,,,,,,,,
CCC(=O)Nc1ccc(C(=O)Nc2cccc(OC)c2)cc1,CID1122218,,,,,,,,,0.0,,,0.0,,,,,
CCOc1ccc(C(=O)Nc2cccc(C(=O)O)c2C)cc1Cl,CID839470,,,,,,,,,,,,,,0.0,,,
CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cccc(C)c2)c1,CID789345,,,,,,0.0,,,,0.0,0.0,0.0,,0.0,,,
CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2F)cc1,CID673506,,0.0,,,,,,,,,,,0.0,,,,0.0
COC(=O)c1ccccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1,CID779261,,,,,,0.0,,,,,,,,,,,
Cc1cccc(C(=O)Nc2ccc(CC(=O)O)cc2)c1,CID973502,,,0.0,,,,,,,0.0,,,,,,0.0,0.0
CCOc1ccccc1NC(=O)c1ccccc1NS(C)(=O)=O,CID838665,,0.0,,0.0,0.0,,0.0,,,,0.0,,,,,0.0,
CC(C)CC(=O)NC(=S)Nc1cccc(NC(=O)c2ccccc2)c1,CID1048125,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1NC(=O)c1ccccc1O,CID768318,,,,,,,0.0,0.0,,0.0,,,,,,0.0,
CCCOc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1,CID595981,,,,,,0.0,,,,,,,,,,,
COC(=O)c1ccc(NC(=O)c2ccccc2CC[N+](=O)[O-])cc1,CID3800322,,,,,,,,,,,,,,0.0,0.0,,
O=C(Nc1ccccc1F)c1ccccc1[N+](=O)[O-],CID2223570,,,,,,0.0,,,,,,,,,,,
O=C(Nc1cccc(F)c1)c1ccccc1,CID242888,,,,,,,,,,,0.0,,,,,,
CC(=O)Oc1ccc(C(=O)Nc2ccccc2C(=O)NCC(C)C)cc1,CID1369781,,,,,,0.0,,,,,,,,,,,
Cc1cc(C)c(NC(=O)c2ccccc2N(C)S(C)(=O)=O)c(C)c1,CID958649,,,,,,,,,,,,0.0,,,,,
COc1ccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1OC,CID1312523,,,,0.0,,,,,,,0.0,,,,,0.0,
COCC(=O)Nc1ccc(C(=O)Nc2ccccc2Cl)cc1,CID1228428,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)Nc2cccc(OC)c2)cc1,CID687087,,,,,,,,,0.0,,0.0,,,,,,
O=C(Nc1ccccc1F)c1ccccc1,CID15631,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1ccc(NC(=O)c2ccccc2)cc1,CID12914,,,,,,,,,0.0,,0.0,,,,,,
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1[N+](=O)[O-],CID1306926,,,,,,,,,,,,,,,0.0,,
COc1cc(C(=O)Nc2ccc(N(C)C)cc2)cc(OC)c1OC,CID43380,,,,,,,,,,,,0.0,,,,,0.0
CCOc1ccc(C(=O)Nc2ccc(N(CC)CC)cc2)cc1[N+](=O)[O-],CID1357098,,,,,,0.0,,,,,,,,,,,
COc1cc(N)c(Cl)cc1NC(=O)c1ccccc1,CID80727,0.0,,,,,,,,,,,,,,,,0.0
COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(C)cc1,CID717537,,,,,,,,,,,0.0,,,,,,
COc1ccc(C(=O)Nc2cc(OC)ccc2OC)cc1,CID532276,,,,,,,0.0,,0.0,0.0,,,0.0,,0.0,0.0,
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)cc1,CID934593,,,,,,,,,0.0,,0.0,0.0,,,,,
COc1cc(OC)cc(C(=O)Nc2ccc(C)c(C)c2)c1,CID827628,,,,,,0.0,,,,,,,,,,,
CC(C)CC(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)O)c1,CID846054,,,,,,,,,0.0,,0.0,,,,,,
CC(C)C(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)O)c1,CID846055,,,,,,0.0,,,0.0,,,,,0.0,,,
CCOc1cc(OCC)cc(C(=O)Nc2ccc(C)cc2)c1,CID2261640,,,,,,0.0,,,,,,,,,,,
CC(C)c1cccc(C(C)C)c1NC(=O)c1ccccc1,CID709320,,,,,,,,,,,,,,0.0,,,
COC(=O)c1cc(NC(=O)c2ccc(F)cc2)cc(C(=O)OC)c1,CID798993,,,,,,,,,,,,,,,0.0,,
COc1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])cc1,CID306656,,,,,,0.0,,,,,,,,,,,
Cc1cc(C)c(NC(=O)c2ccccc2[N+](=O)[O-])c(C)c1,CID870176,,,,,,0.0,,,,,,,,,,,
CC(=O)Nc1ccc(NC(=O)c2ccccc2F)cc1,CID762972,0.0,,,0.0,,,,0.0,,,,,,,,,
CC(C)C(=O)NC(=S)Nc1ccccc1C(=O)Nc1ccccc1,CID1792447,,,,,,0.0,,,,,,,,0.0,,,
CCOc1cc(NC(=O)c2ccccc2[N+](=O)[O-])c(OCC)cc1NC(=O)CC(C)C,CID3193322,,,,,,0.0,,,,,,,,,,,
COc1cccc(C(=O)Nc2ccccc2F)c1,CID532855,,,,,,,,,,,,,,,0.0,,
CCN(CC)c1ccc(NC(=O)c2cc(Cl)ccc2OC)cc1,CID875498,,,,,,0.0,,,,0.0,0.0,,,,,,
Cc1cccc(NC(=O)c2ccccc2O)c1C,CID1122342,,,,,,,,,,,0.0,0.0,,0.0,,0.0,0.0
COc1cccc(NC(=O)c2ccccc2NS(C)(=O)=O)c1,CID967760,,0.0,,,0.0,,0.0,,0.0,,,,,,,,0.0
COC(=O)C(C)N(C(=O)c1cccc(Cl)c1)c1c(C)cccc1C,CID2841060,,,,,,0.0,,,,,,,,0.0,,,
COc1cccc(C(=O)Nc2cccc(SC)c2)c1,CID836483,,,,0.0,0.0,0.0,,0.0,,0.0,,,,,,,
CCOc1cccc(C(=O)Nc2ccc(N(CC)CC)cc2)c1,CID842981,0.0,,,,0.0,0.0,,,,,,,,,,,
CCOC(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1,CID711484,,,,,,0.0,,,,,,,,,,,
CC(C)COc1ccc(C(=O)Nc2ccccc2)cc1,CID878093,,,,,,0.0,,,,,,,,,,,
COC(=O)C(C)N(C(=O)c1ccc(Cl)cc1)c1c(C)cccc1C,CID2841274,,,,,,,,,,0.0,,,,0.0,,,
COc1ccc(NC(=O)c2cccc(NC(=O)C(C)C)c2)c([N+](=O)[O-])c1,CID2939992,,,,,,,,,,,,,,,0.0,,
COCCCNC(=O)c1cccc(NC(=O)c2ccccc2)c1,CID2162944,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccccc1CO)c1cccc(F)c1,CID877430,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C(=O)Nc2ccccc2C(=O)NC(CC(=O)O)C(=O)O)cc1,CID2997985,,,,0.0,,,,0.0,,,,0.0,,,,,
CCCNC(=O)Nc1ccccc1C(=O)Nc1ccc(OC)cc1,CID2198546,,,,,,,,,0.0,,,,,,,0.0,
COc1cc(NS(C)(=O)=O)c(OC)cc1NC(=O)c1cccc(F)c1,CID644763,,,,,,,,0.0,,,,,,0.0,,,
CCOCC(=O)Nc1ccc(C(=O)Nc2ccccc2Cl)cc1,CID1732130,,,,,,,,,,,,,,0.0,,,
CC(=O)Nc1ccc(C(=O)N(C)c2ccccc2)cc1,CID669468,,,,,,,,,,0.0,,,,0.0,,,
Cc1cc(C(=O)Nc2ccccc2C(=O)O)ccc1NC(=O)C(C)(C)C,CID1369255,,,,,,0.0,,,,,,,,,,,
CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C#N)cc2)c1,CID3241048,0.0,0.0,,0.0,,,0.0,,,,0.0,,,,,,
COCCSc1ccccc1C(=O)Nc1ccc(Br)cc1,CID2218442,,,,,,,,,,,,,,0.0,,,
CCOc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1,CID779847,,,,,,0.0,,,,,,,,,0.0,,
CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2F)cc1,CID877160,,0.0,,0.0,0.0,,0.0,,,0.0,,,,0.0,,,0.0
CCOc1ccc(NC(=O)c2ccccc2OC)cc1,CID700573,,,,0.0,,,,,,,0.0,,,,,0.0,0.0
COc1ccc(Br)cc1C(=O)Nc1ccc(C(=O)O)cc1,CID893374,,,,,,,,,,,,,,,0.0,,
Cc1cccc(C(=O)Nc2cccc(Br)c2)c1[N+](=O)[O-],CID888906,,,,,,,,,,,,,,,0.0,,
CCOc1ccccc1NC(=O)c1ccccc1N(C)S(C)(=O)=O,CID951628,,,,,,,0.0,,0.0,,,,,0.0,,0.0,
CCCOc1cccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1,CID1728330,,,,,,0.0,,,,,,,,,,,
CCN(CC)c1ccc(C(=O)Nc2cccc(F)c2)cc1,CID690502,,,,,,,,,,,,,0.0,,,0.0,
O=C(Nc1ccccc1C(=O)NCCCO)c1ccccc1,CID3133481,,,,,,0.0,,,,,,,,,,,
CC(=O)Nc1ccccc1NC(=O)c1ccc(Cl)cc1,CID870449,,,,,,0.0,,,,,,,,,,,
CSc1ccc(C#N)cc1NC(=O)c1cccc(Cl)c1,CID1471768,,,,,,,,,,,,,,0.0,,,
CCOc1ccccc1C(=O)Nc1ccccc1C(N)=O,CID673608,0.0,,,0.0,0.0,,0.0,,,0.0,,0.0,,,,,
CCOC(=O)c1ccccc1NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1,CID1314443,,,,,,,,,0.0,0.0,,,0.0,,,0.0,
CCCOc1ccccc1NC(=O)c1ccc(N)cc1,CID3239968,0.0,,,0.0,,,,,,0.0,,0.0,,,,,
CCCCCN(CCCCC)C(=O)c1ccccc1C(=O)Nc1ccccc1,CID2827362,,,,,,0.0,,,,,,,,,,,
COc1ccc(Br)cc1C(=O)Nc1ccc(O)cc1,CID894447,0.0,,,,,,,,,,,,,,,,0.0
CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1,CID1295472,,,,,,,,,,,0.0,,,,,,
O=C(Nc1ccccc1)c1ccccc1CC[N+](=O)[O-],CID1484319,,,,,,,,,,,,,,0.0,0.0,,
CCCCN(CCCC)CC(O)COc1ccccc1C(=O)Nc1ccccc1,CID2880981,,,,,,0.0,,,,,,,,,,,
CCOc1cc(NC(=S)NC)c(OCC)cc1NC(=O)c1ccc(OC)cc1,CID1172852,,,,,,,,,,,,,,0.0,,,
COc1ccc(NC(=O)c2cc(SC)ccc2Cl)cc1,CID847891,,,,,,,,,,,,,,0.0,,,
CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1,CID1251916,,,,,0.0,,0.0,,,0.0,,,,,,0.0,
CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)O)ccc1OC,CID1521222,,,0.0,,0.0,,,0.0,0.0,0.0,0.0,,,,,0.0,0.0
COc1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1OC,CID2116742,,0.0,0.0,,,0.0,,,,,0.0,,0.0,,,0.0,
CCS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)c(O)c1,CID651430,,,0.0,,,,,,,0.0,0.0,,,,,,
CCOc1cccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1,CID3959794,0.0,,0.0,,,,0.0,,,,,,,,,0.0,
CSc1ccccc1C(=O)Nc1cccc(C(C)O)c1,CID2974739,,,0.0,,0.0,,,0.0,,,,,,,,,
CCOc1ccc(C(=O)Nc2ccc(N(CC)CC)cc2)cc1,CID835829,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(NC(=O)c2ccccc2O)cc1,CID94777,,0.0,0.0,0.0,0.0,,,,,0.0,0.0,,,,,,0.0
O=C(O)/C=C/c1cccc(NC(=O)c2ccc(Cl)cc2)c1,CID774613,,,,,,,,,,,,,,0.0,,,
COc1ccc(Cl)cc1C(=O)Nc1ccc(NC(=O)C(C)C)cc1,CID888212,,,,,,,,,,,,,,0.0,,,
CCC(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1,CID2843036,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1,CID711428,,,,,,,,,,,,,,,0.0,,
CC(=O)c1cccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c1,CID975806,,0.0,,,,,0.0,,0.0,,0.0,0.0,,,,0.0,
O=C(Nc1cccc(O)c1)c1ccccc1,CID836140,,,0.0,,,,0.0,,,,,0.0,,,,,
CCCCC(=O)NC(=S)Nc1cccc(NC(=O)c2ccccc2)c1,CID1718169,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1,CID1547896,0.0,,,0.0,,,0.0,,,,0.0,0.0,,,,,
COc1ccccc1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1,CID1547898,,,,,,,0.0,0.0,,,,,,,,0.0,0.0
COc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c1,CID2672899,,,,,,,,,,,0.0,0.0,,,,0.0,0.0
CCOCC(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1Cl,CID1732131,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1,CID803663,,,,,,,,,,,,,,0.0,,,
Cc1ccc(N(NC(=O)C(C)(C)O)C(=O)c2ccccc2)cc1C,CID921618,,,,,,,,,0.0,,,,,,,,
COc1cc(NC(=O)c2ccccc2)cc(OC)c1,CID2192547,,,,,,,0.0,0.0,0.0,,,,0.0,,,0.0,
CN(c1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)S(C)(=O)=O,CID1304606,0.0,,,,0.0,,,0.0,,0.0,,,,,,,0.0
COc1cccc(C(=O)Nc2cccc(OCC(=O)O)c2)c1,CID1254126,,,,,,0.0,,,,0.0,,,,,,,
Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1,CID532158,,,,,,0.0,,,,,,,,,,,
CCN(C(=O)c1cc(Cl)ccc1OC)c1ccccc1C,CID842727,,,,,,,,,,,,,,0.0,,,
COCCNC(=O)c1ccccc1NC(=O)c1ccc(OC)c(OC)c1,CID2210331,0.0,,0.0,,,,0.0,,,,,,,,,,
CCCCOc1ccc(C(=O)Nc2ccccc2OC(C)C)cc1,CID2223016,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC(=O)c2ccc(NC(=O)C(C)C)cc2)c([N+](=O)[O-])c1,CID2951981,,,,,,,,,,,,,,0.0,,,
COc1ccc(NC(=O)c2cc(C)cc(C)c2)cc1[N+](=O)[O-],CID2208981,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1,CID755237,,0.0,,0.0,,,0.0,0.0,,0.0,0.0,,,,,,
COC(=O)COc1cccc(NC(=O)c2ccc(C)cc2)c1,CID976348,,,,,,0.0,,,0.0,0.0,0.0,,,,,,
CCOC(=O)Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1,CID973393,,,,,,,,,,,,,,,0.0,,
COC(=O)c1cc(OC)c(OC)c(OC)c1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1,CID1319884,,,,,,,,,,0.0,0.0,,,,,,
CC(C)COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1,CID2880923,,,,,,0.0,,,,,,,,,,,
CC(C)OC(=O)c1ccc(NC(=O)c2ccccc2)cc1,CID902558,,,,,,,,,,,,,,0.0,,,
CCCCOc1ccccc1NC(=O)c1cc(OC)c(OC)c(OC)c1,CID607146,,,,,,0.0,,,,,,,,,,,
Cc1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1C,CID844174,,,,,,,,,,,,,,0.0,,,
COc1cc(C(=O)Nc2ccc(C(C)C)cc2)c([N+](=O)[O-])cc1OC,CID743962,,,,,,0.0,,,,,,,,,,,
Cc1c(NC(=O)c2ccccc2)cccc1[N+](=O)[O-],CID675812,,,,,,,,,,,,,,,0.0,,
COc1ccccc1C(=O)Nc1cc(C)cc(C)c1,CID840265,,,,,,0.0,,,,,,,,,,,
COc1cc([N+](=O)[O-])ccc1NC(=O)c1cccc(F)c1,CID2865230,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1ccccc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-],CID874253,,,,,,0.0,,,,,,,,,,,
COC(=O)c1ccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])cc1,CID890396,,,,,,,,,,,,,,,0.0,,
COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(C)=O,CID807852,,,,0.0,,,0.0,0.0,0.0,,,0.0,0.0,,0.0,,
COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(OC)c1,CID1718915,,,,,,,,,,,,,,,0.0,,
CCN(C(=O)c1ccc(NC(C)=O)cc1)c1ccccc1C,CID669474,,,,,,,,,,0.0,0.0,,,0.0,,,
CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2)c1,CID653336,0.0,,,0.0,,,0.0,,0.0,,0.0,,,0.0,,,
COC(=O)c1ccc(C(=O)Nc2ccc(N)cc2N)cc1,CID645640,,,,,0.0,,,,,,,,,,0.0,0.0,
COc1cc(C(=O)Nc2ccc(O)cc2C(=O)O)ccc1OC(C)=O,CID666497,,,,,0.0,0.0,0.0,,,,,,0.0,,,,
COC(=O)c1ccc(NC(=O)c2ccccc2SC)cc1,CID1243177,,,,,,0.0,,,,,,,,0.0,,,
CC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1,CID2221777,,,,,,,0.0,0.0,0.0,,0.0,0.0,,,,0.0,
CCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2OCC)cc1,CID2230309,,,,,0.0,,0.0,0.0,0.0,,0.0,,0.0,,,,
CCN(CC)c1ccc(NC(=O)c2ccccc2F)cc1,CID842943,,,,0.0,,,,,,,0.0,,,,,,
CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1,CID877170,0.0,0.0,,0.0,0.0,,,,,,,,,,,,0.0
CCOc1ccc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1Cl,CID2886044,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)C)cc1OC,CID895839,,,,,,,,,0.0,,0.0,0.0,,,,,
CCOC(=O)C(=O)Nc1ccccc1C(=O)Nc1ccc(OC)cc1,CID2225741,,,,,,,,,0.0,,0.0,,,,,,
CCOC(=O)Nc1ccc(NC(=O)c2c(OC)cccc2OC)cc1,CID1313782,,,,,,,,,0.0,,,0.0,0.0,,,0.0,
COC(=O)c1cc(C(=O)Nc2cc(OC)ccc2OC)cc([N+](=O)[O-])c1,CID1279642,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC(=O)c2ccccc2NS(C)(=O)=O)cc1OC,CID1261130,,,,,0.0,,0.0,,0.0,,0.0,,,0.0,,,
COc1ccccc1NC(=O)c1ccc(N)cc1,CID2317363,,,,,,,0.0,,,0.0,0.0,0.0,,,,,
Nc1cccc(C(=O)Nc2ccc(N)cc2Cl)c1,CID760024,0.0,,,0.0,,,,,,,,,,,,0.0,
CCOc1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1,CID874584,,,,,,0.0,,,,,,,,,,,
CSc1ccccc1NC(=O)c1ccccc1C,CID926198,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccc(NC(=O)c2cc(Cl)ccc2OC)cc1,CID823924,,,,,,,,,,,,,,0.0,,,
CC(C)CNC(=O)c1ccccc1NC(=O)c1ccccc1N(C)S(C)(=O)=O,CID1019166,,,,,,,,,0.0,,,,,,,,
CSc1cccc(NC(=O)c2ccccc2N(C)S(C)(=O)=O)c1,CID1019167,,,,,,0.0,,,,,,,,0.0,,,
CC(=O)Nc1ccc(NC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1,CID1019163,,0.0,,,,,,,0.0,,,,0.0,,,0.0,
O=C(Nc1ccccc1)c1ccc(S(=O)(=O)N(CCO)CCO)cc1,CID1262329,,,,,,,,0.0,,,,,0.0,,,0.0,
CC(=O)Nc1ccccc1NC(=O)c1ccccc1,CID674884,,,,,,,,,,,,,,0.0,,,
COc1cc(OC)cc(C(=O)Nc2cccc(NC(C)=O)c2)c1,CID867559,,,,,,,,,0.0,,0.0,,,,,,
COc1cc(SC)ccc1C(=O)Nc1ccccc1,CID669865,,,,,,,,,,0.0,,,,,,,
CC(C)CNC(=O)c1cc(C(=O)NCC(C)C)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1,CID2882915,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(=O)Nc2ccccc2C(N)=O)cc1,CID819664,0.0,,,,0.0,,,,0.0,,,,,,,,
O=C(O)c1cc(NC(=O)c2ccccc2)cc(C(=O)O)c1,CID835293,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C)c(NC(=O)c2ccccc2O)c1,CID657786,,,,0.0,,,,,,0.0,0.0,0.0,,,,0.0,
CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc(C#N)cc2)c1,CID3665777,,,,,,,,,,,,,,,0.0,,
COC(=O)c1ccccc1NC(=O)c1ccccc1NS(C)(=O)=O,CID961769,,,0.0,,,,,,0.0,,0.0,,,0.0,,0.0,
CCOc1ccc(C(=O)Nc2cc(OC)ccc2OC)cc1[N+](=O)[O-],CID742305,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1OC,CID1319173,,,,0.0,,,,,,,,,,,,0.0,
CCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2)cc1,CID1262046,,,,,,,,,0.0,,,0.0,,,,,
Cc1ccc(NC(=O)c2ccccc2O)cc1,CID478805,,0.0,,,,,,,,0.0,,,,,,,
COC(=O)c1cccc(NC(=O)c2cccc(OC)c2)c1,CID747107,,,0.0,,,,,,,0.0,0.0,,0.0,0.0,0.0,,
CCN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1C,CID584243,,,,,,,,,,,,,,0.0,,,
CSc1ccccc1C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1,CID1252494,,,,,0.0,,,,,,0.0,,0.0,0.0,,,
CCOc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1Cl,CID839457,,,,,,,,,,,,,,0.0,,,
CCCCC(=O)Nc1cccc(NC(=O)c2ccc(Br)cc2)c1,CID2186495,,,,,,,,,,,,0.0,,,,,
CC(=O)NC(=S)Nc1ccccc1C(=O)Nc1ccccc1,CID974381,,,,,,,,,,,,,,0.0,,,
COc1cc(OC)c(C(=O)Nc2cccc(C(C)=O)c2)cc1OC,CID4885308,,,,,,0.0,,,,,,,,,,,
COC(=O)c1ccccc1NC(=O)c1ccccc1SC,CID967699,0.0,,,,0.0,,,0.0,,,0.0,,,,,,
COC(=O)c1ccccc1NC(=O)c1ccccc1OC,CID650638,,0.0,,,,,0.0,0.0,0.0,,0.0,,,0.0,0.0,0.0,0.0
C=CCNC(=O)c1ccccc1NC(=O)c1cccc(C)c1,CID2174275,0.0,,,0.0,0.0,,,0.0,,,,,,,,,0.0
COc1cccc(NC(=O)c2ccccc2SC)c1,CID973964,,,,0.0,0.0,,0.0,,,0.0,0.0,0.0,,,,,0.0
COCCSc1ccccc1C(=O)Nc1ccccc1C#N,CID2218466,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)cc1,CID3738288,,,0.0,,0.0,,,,,,,,0.0,,,0.0,
CCOC(=O)CN(C(=O)c1ccccc1)c1ccccc1C,CID2056050,,,,,,,0.0,,0.0,0.0,0.0,,0.0,0.0,0.0,,
COc1cccc(OC)c1C(=O)Nc1cccc(C(C)=O)c1,CID844227,,,,,,,0.0,0.0,0.0,0.0,0.0,,,,,0.0,
CC(C)(O)C(=O)NN(C(=O)c1ccccc1)c1cccc(Br)c1,CID1494295,,,,,,,,,0.0,,0.0,0.0,,,,,
COc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)NCCO)cc1,CID2192366,0.0,0.0,,0.0,,,,,,,,,,0.0,,0.0,0.0
O=C(Nc1ccccc1Cl)c1ccccc1,CID13918,,,,,,,,,,,,,,0.0,,,
CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1,CID851384,,,,,0.0,,,0.0,,,,,,,,0.0,
CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)O)cc1,CID851383,,,,,0.0,,,,,0.0,,,0.0,,,0.0,0.0
Cc1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1Br,CID2251114,,,,,,,,,,,,,,,0.0,,
COC(=O)c1cccc(NC(=O)c2ccc(C)cc2)c1,CID774521,,,,,,0.0,,,,,,,,,,,
COc1ccc(Cl)cc1NC(=O)c1ccccc1C,CID576984,,,,,,,,,,0.0,,,,,,,
CC(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)O)c1,CID869636,,,,,,,0.0,,0.0,0.0,,,,,,,
CN(C)S(=O)(=O)Oc1cccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1,CID4322088,,,,,,,,,,,,0.0,,,,,
Cc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1C,CID835622,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C(=O)Nc2ccc(O)cc2C(=O)O)cc1,CID804660,,,,,,,,,0.0,,0.0,,,,,,
CCOC(=O)c1ccccc1NC(=O)c1ccccc1N(C)S(C)(=O)=O,CID1306251,,,,0.0,,,0.0,,0.0,0.0,,,,,,,
CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cccc(C)c2)cc1,CID2311986,,,,,,,,,,,,0.0,,0.0,0.0,,
COCC(=O)Nc1ccccc1C(=O)Nc1ccc(OC)cc1,CID971040,,0.0,,0.0,,,,0.0,0.0,,,0.0,,,,,
COc1cc(NC(=O)c2ccccc2[N+](=O)[O-])c(C(=O)O)cc1OC,CID916123,,,,,,,,,,,,,,0.0,,,
Cc1cccc(N(NC(=O)C(C)(C)O)C(=O)c2ccccc2)c1,CID929470,,,,,,,,,0.0,,,,,,,,
COc1ccc(NC(=O)c2c(OC)cccc2OC)c(OC)c1,CID756059,,,,,,,0.0,,,,,,,,,0.0,
CCC(NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)O,CID3245012,,,,,,0.0,0.0,,,,,,,,,,
CCN(C(=O)c1ccccc1Cl)c1ccccc1,CID722355,0.0,,,,,,,,,0.0,,,0.0,,,0.0,
CCOc1ccc(C(=O)Nc2cc(Cl)ccc2C(=O)O)cc1,CID763465,,,,,,0.0,,,,,,,,,,,
CCCCNC(=O)Nc1ccccc1C(=O)Nc1ccc(OC)cc1,CID1864779,,,,,,0.0,,,0.0,0.0,,0.0,,0.0,,,
COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Br,CID2905062,,,,,,,,,,,,0.0,,,,,
O=C(O)c1cc([N+](=O)[O-])ccc1C(=O)Nc1ccccc1,CID787192,,,,,,,,,,,,,,,0.0,,
COc1ccc(NC(=O)c2ccc(OC)cc2)cc1,CID346815,,0.0,,0.0,,0.0,0.0,,,0.0,,,,,,0.0,
Cc1cc(N)ccc1NC(=O)c1ccccc1,CID3245571,0.0,,,,,0.0,,0.0,,,0.0,,,0.0,,,
CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1,CID1180515,,,,,0.0,,,,,,,,,,,,
CCN(CC)c1ccc(NC(=O)c2cccc(OC)c2)c(C)c1,CID837550,0.0,,,,0.0,,,,,,,,,,,0.0,
CCN(CC)c1ccc(NC(=O)c2cc(OC)cc(OC)c2)c(C)c1,CID952853,,0.0,,,0.0,,,0.0,,,0.0,,0.0,,,,0.0
Cc1c(Br)ccc(NC(=O)c2ccccc2[N+](=O)[O-])c1C,CID890644,,,,,,,,,,,,,,,0.0,,
CCOc1ccccc1C(=O)Nc1cc(Cl)ccc1O,CID2953683,0.0,,,0.0,,,,,,0.0,,,0.0,,,,
COc1cc(C(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc(OC)c1OC,CID1303714,,,,,,,,,,0.0,0.0,,,,,,
COc1cc(C(=O)Nc2cccc(C(C)=O)c2)cc(OC)c1OC,CID692750,,,,,,,,,,,,,,,0.0,,
CC(=O)c1cccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)c1,CID1263223,,,,0.0,,,,,0.0,,0.0,,,,,0.0,
CCOCCCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1,CID2228520,,,,0.0,,,,,,,,,,,,0.0,
COC(=O)COc1ccccc1C(=O)Nc1ccc(OC)cc1,CID628837,,,,,,,,,,,,,,,0.0,,
CN(C)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1,CID736456,,,,,,0.0,,,,,,,,,,,
COc1cc(C(=O)Nc2ccc(NC(C)=O)cc2)c([N+](=O)[O-])cc1OC,CID5039732,,,,,,0.0,,,,,,,,,,,
CCC(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC,CID1291333,0.0,,0.0,0.0,,,,,,,,,,,,,
COc1cc(OC)c(C(=O)Nc2ccc(N(C)C)cc2)cc1OC,CID912709,,0.0,,,,,,,,,,0.0,,,,,0.0
N#Cc1cccc(NC(=O)c2ccccc2C(=O)O)c1,CID675803,,,,,,,0.0,,,,,,,,0.0,,
O=C(O)/C=C/C(=O)Nc1ccccc1C(=O)Nc1ccccc1,CID675800,,,,,,,,,0.0,,,,,,,,
CCOc1cccc(C(=O)Nc2ccccc2OC(F)F)c1,CID934563,,,,,,,,,,,,,,,,,0.0
C=CCN(C(=O)c1ccccc1)c1ccc(OC)cc1,CID869664,,,0.0,,,,0.0,0.0,,0.0,,,,0.0,,0.0,
Cc1ccccc1NC(=O)c1c(F)c(F)c(F)c(F)c1F,CID2193717,,,,,,,,,0.0,,,,,,,,0.0
O=C(Nc1ccc(O)cc1C(=O)O)c1cccc(Br)c1,CID882256,,,,,,,0.0,,,,,,,,,,0.0
CC(C)NC(=O)c1ccccc1NC(=O)c1ccccc1N(C)S(C)(=O)=O,CID1298211,,0.0,,0.0,0.0,,0.0,,0.0,0.0,,,,,,0.0,0.0
CS(=O)(=O)Nc1ccccc1C(=O)Nc1cccc(Cl)c1,CID973956,0.0,0.0,,0.0,,,,,,,,,0.0,,,,
CCOC(=O)c1ccc(NC(=O)c2ccccc2OC)cc1,CID1739885,,,,,,0.0,,,,,,,,,,,
Cc1ccccc1C(=O)Nc1ccccc1,CID23466,,,0.0,,,,0.0,,0.0,,,0.0,,,,,
COc1cccc(C(=O)Nc2cccc(NC(C)=O)c2)c1,CID871749,0.0,,,0.0,,,0.0,,0.0,,,,,,,,0.0
Cc1ccc(C)c(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c1,CID893355,,,,,,,,,0.0,,,,,,,,
CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1,CID1007873,,,,,,,,,,,0.0,,,,,,
CCOc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1[N+](=O)[O-],CID828956,,,,,,,,,,,,,,,0.0,,
COC(=O)c1cccc(NC(=O)c2ccc(OC)c(Cl)c2)c1,CID2231218,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(C(=O)Nc2cc(OC)ccc2OC)cc1,CID854771,,,0.0,,,0.0,,0.0,,,,,,,,,0.0
CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cc(C)cc(C)c2)c1,CID2683296,,,,,,,,,,,,0.0,,0.0,0.0,,
CC(C)C(=O)Nc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1,CID2188800,,,,,,,,,,,,,,,0.0,,
CCN(CC)c1ccc(NC(=O)c2c(OC)cccc2OC)c(C)c1,CID959439,,,,,0.0,,,0.0,,,,0.0,,,,,
CCCC(=O)Nc1ccccc1NC(=O)c1cc(OC)c(OC)c(OC)c1,CID1301613,,,,,,,,,,,0.0,0.0,,,,,
CCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1,CID2227071,,,,,,,,,,0.0,0.0,,,,,,
O=C(Nc1ccccc1Cl)c1c(F)c(F)c(F)c(F)c1F,CID2169782,,,,,,,,,,,,,,,,,0.0
C=CCNC(=O)c1ccccc1NC(=O)c1ccccc1C,CID3132181,,,,,,,,,,,,0.0,,,,,
CCN(C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])c1ccccc1,CID876510,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(=O)Nc2c(F)c(F)c(F)c(F)c2F)c(OC)c1,CID2166584,,,,,,,,,,,,,,,,,0.0
COc1ccccc1NC(=O)c1ccccc1SC,CID313103,,,,0.0,0.0,,0.0,,,0.0,,,,,,,
COC(=O)COc1cccc(NC(=O)c2ccc(Cl)cc2)c1,CID976810,,,,,,,,,,,,,,0.0,,,
COc1cccc(C(=O)Nc2c(F)c(F)c(F)c(F)c2F)c1,CID2169966,,,,,,,,,,,,,,,,,0.0
COc1cccc(NC(=O)c2cccc(OC)c2OC)c1,CID912443,,0.0,,,,,0.0,0.0,0.0,0.0,0.0,,,,0.0,,0.0
CCCC(=O)NC(=S)Nc1cccc(NC(=O)c2ccccc2)c1,CID823738,,,,,,,,,,,,,,0.0,,,
COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(OC)cc1,CID584792,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1,CID878701,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(C(=O)Nc2ccccc2OC(F)F)cc1,CID1257518,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1NC(=O)c1ccccc1,CID71100,,,,0.0,,,0.0,,,,,0.0,,,,0.0,
COc1ccccc1C(=O)Nc1cccc(NC(C)=O)c1,CID871987,0.0,,,,,,0.0,,0.0,0.0,,,0.0,,,,0.0
COc1ccc(C(=O)Nc2cc(Cl)ccc2C(=O)O)cc1,CID1254149,,,,,,,,,,,,,,0.0,,,
COc1ccc(Br)cc1C(=O)Nc1cccc(C)c1,CID880502,,,,,,,,,,,0.0,0.0,,,0.0,,
CCOC(=O)c1ccccc1NC(=O)c1ccccc1SC,CID973984,0.0,,,,0.0,,0.0,,,,,,,0.0,,,0.0
CCC(=O)NC(=S)Nc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1,CID5172195,,,,,,,,,,,,,,0.0,,,
CCCCOc1ccc(NC(=O)c2cccc(OC)c2)cc1,CID1563752,,,,,,0.0,,,,,,,,,,,
COc1ccc(Cl)cc1C(=O)Nc1ccc(N(C)C(C)=O)cc1,CID670792,,,,,,,,,,,,,,0.0,,,
O=C(O)c1ccccc1C(=O)Nc1ccccc1,CID78458,,,,,,,0.0,,0.0,,,0.0,,,,,
Nc1cccc(C(=O)Nc2ccccc2Cl)c1,CID793691,0.0,,,,,,0.0,,,,,,,,,0.0,0.0
COc1cc(OC)cc(C(=O)Nc2ccccc2NC(C)=O)c1,CID878012,0.0,,0.0,0.0,,,0.0,,0.0,,,0.0,0.0,,,0.0,0.0
COc1ccc(OC)c(NC(=O)c2ccc(NS(C)(=O)=O)cc2)c1,CID1241929,,,,,,,,,0.0,,,,,,,,
CC(=O)c1cccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c1,CID2169834,,,,,,,,,0.0,,,,,,,,0.0
CS(=O)(=O)Nc1ccccc1C(=O)Nc1cc(Cl)cc(Cl)c1,CID1260692,,,,,,,,,0.0,,,,,,,,
CC(=O)Nc1cccc(NC(=O)c2ccc(Br)cc2)c1,CID540240,,,,,,,,,,,,,,,0.0,,
CCOc1ccccc1NC(=O)c1cccc(NC(=O)C(C)C)c1,CID836649,,,,,,,,,,,,,,,0.0,,
CC(C)OC(=O)c1cccc(NC(=O)c2ccccc2)c1,CID902637,,,,,,,,,0.0,,0.0,,,0.0,,,
COc1cccc(C(=O)Nc2ccc(NC(C)=O)cc2)c1,CID835354,,,,,,,,,,,,,,0.0,,,
CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2Cl)c1,CID2221813,,,,,,,,,,,,,,,0.0,,
COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1,CID306529,,,,,,,,,,,,,,,0.0,,
COc1ccc(OC)c(NC(=O)c2ccccc2SC)c1,CID966884,,,,,,,,,,,0.0,,,,,,
CSc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1C,CID2228893,,,,,,,,,,,,,,0.0,,,
CCCOC(=O)c1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2Br)cc1,CID1554876,,,,,,,,,,,,,,0.0,,,
COc1cc(NC(=O)c2cccc(F)c2)cc(OC)c1OC,CID2987322,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)cc1[N+](=O)[O-],CID739842,,,,,,0.0,,,,,,,,,,,
CCc1cccc(CC)c1NC(=O)c1cccc(N)c1,CID2301372,,,,,,,,,,0.0,,,,,,,
COc1ccc(C)cc1NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1,CID951580,,,,,,,,0.0,0.0,,0.0,,0.0,,,0.0,
CN(c1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1)S(C)(=O)=O,CID1306081,0.0,,,,0.0,,,,,,,,,,,,0.0
COC(=O)c1ccccc1NC(=O)c1ccccc1N(C)S(C)(=O)=O,CID1293092,,,,,,,,,0.0,,,,0.0,,,0.0,
COc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1OC,CID2171051,,,,,,,,0.0,0.0,0.0,,,0.0,,,,0.0
CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2ccc(O)cc2C(=O)O)cc1,CID1369768,,,,,,0.0,,,,,,,,,,,
COC(=O)Cc1ccc(NC(=O)c2ccc(C)c(C)c2)cc1,CID973562,,,,,,,,,0.0,0.0,0.0,,,,,,
COc1ccc(NC(=O)c2ccccc2CC[N+](=O)[O-])cc1,CID1487187,,,,,,,,,,,,,,,0.0,,
Cc1ccc(NC(=O)c2ccccc2)cc1,CID68497,,,,,,,,,0.0,,0.0,,,,,,
COc1cc(OC)cc(C(=O)Nc2cc(C)ccc2C)c1,CID835519,,,,,,0.0,,,,,,,,,,,
Cc1ccc(N)cc1NC(=O)c1ccccc1,CID269061,,,,,,0.0,,,,,,,,,,,
CCOc1ccccc1NC(=O)c1ccc(OC)cc1OC,CID743687,,,,,,0.0,,,,,,,,,,,
Cc1ccc(F)cc1NC(=O)c1cccc(N(C)C)c1,CID2083459,,0.0,,0.0,,,,,,,,,,,,0.0,
CCCOC(=O)c1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1,CID2223554,,,,,,0.0,,,,,,,,,,,
COc1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1,CID973961,,,0.0,0.0,0.0,,,,0.0,,,,,,,0.0,0.0
CCN(C(=O)c1cc(Cl)ccc1OC)c1ccccc1,CID670148,0.0,0.0,,,,,0.0,,,0.0,,,0.0,,,0.0,0.0
CCCC(=O)Nc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1,CID2952481,,,,,,,,,,,,,,0.0,,,
Cc1cccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1,CID2598892,0.0,,,,,,,,,,0.0,,,,,0.0,0.0
C=CCN(CC=C)C(=O)c1ccccc1NC(=O)c1ccccc1C,CID761936,,,,,,0.0,,,,,,,,,,,
CN(C)S(=O)(=O)c1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1,CID2672941,,,,,,,,,,0.0,,,,,,,
CCCCOC(=O)c1ccc(NC(=O)c2cc(Cl)ccc2OC)cc1,CID2273444,,,,,,,,,,,,,,0.0,,,
COc1cc(OC)cc(C(=O)Nc2cccc(C(C)=O)c2)c1,CID763911,,,0.0,,,,,,0.0,0.0,0.0,,,,,,0.0
CC(C)COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1,CID878219,,,,,,0.0,,,,,,,,,,,
C=CCN(c1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1)S(C)(=O)=O,CID1008176,,,,,,,,,,,,,,,0.0,,
COc1ccccc1C(=O)Nc1cc(Cl)ccc1O,CID483833,0.0,0.0,,0.0,,,,,,,,,,,,,0.0
COC(=O)c1ccccc1NC(=O)c1cc(OC)cc(OC)c1,CID694544,,,,,,,,0.0,,0.0,,,,,,0.0,
CCOC(=O)c1ccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1,CID1289222,,,0.0,0.0,,,,0.0,0.0,,,,,0.0,,0.0,
CCCCC(=O)Nc1cccc(NC(=O)c2ccccc2Br)c1,CID2186104,,,,,,,,,,,,0.0,,,,,
Cc1cccc(NC(=O)c2ccccc2C(=O)O)c1,CID6821,,0.0,,,,,,0.0,0.0,,,,0.0,,,,
COc1cccc(C(=O)Nc2ccc(C(=O)O)cc2)c1,CID3240131,,,0.0,0.0,,,,0.0,0.0,,,,,,,0.0,
CCN(C(=O)c1cccc(F)c1)c1ccccc1C,CID808191,,,,,,,,0.0,,,,,,,,,
COC(=O)CCC(=O)Nc1ccccc1C(=O)Nc1ccccc1,CID721989,,,,,,,,,0.0,,0.0,,,0.0,,,
C=CCNC(=O)c1ccccc1NC(=O)c1ccccc1,CID2194118,,,0.0,0.0,0.0,,,0.0,,0.0,,0.0,,,,,0.0
O=C(O)CC(NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)O,CID2930321,,,,,,,,,,,,,,,,,0.0
CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccccc2C)c1,CID7215654,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1,CID967576,,,0.0,,,,,,0.0,,,,,,,,
CCOc1ccc(NC(=O)c2ccccc2NS(C)(=O)=O)cc1,CID967572,,,,,,,,,0.0,,0.0,,,,0.0,,
CCOc1ccc(NC(=O)c2ccccc2CO)cc1,CID3243401,0.0,,,,,0.0,,0.0,,,,,0.0,,,,0.0
O=C(O)CCC(=O)Nc1ccccc1C(=O)Nc1ccccc1,CID722000,,,,,,,,,0.0,,,,,,,,
CC(C)Oc1ccc(C(=O)Nc2ccc(N(C)C)cc2)cc1,CID799770,0.0,,,,0.0,0.0,,,,,,0.0,,,,,
CCC(CC)C(=O)Nc1cccc(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1,CID2963091,,,,,,,,,,,,0.0,,,,,
COc1ccccc1NC(=O)c1ccccc1NS(C)(=O)=O,CID1266369,,,0.0,0.0,0.0,,0.0,0.0,0.0,,,,,,,0.0,
CCOc1ccc(NC(=O)c2ccc(OC)cc2)cc1,CID584690,,,,,,0.0,,,,0.0,,,,,,,
CCN(C(=O)c1ccc(NC(C)=O)cc1)c1ccccc1,CID595583,,,,,,,,,,0.0,,,,,,,
O=C(O)COc1cccc(NC(=O)c2ccccc2)c1,CID570259,,,,0.0,,,0.0,,0.0,,0.0,,,,,,
COc1cc(NC(=O)c2ccccc2)c(OC)cc1Cl,CID723392,,,,,,,,,,,,,,0.0,,,
COc1cc(NC(=O)c2ccc(Cl)cc2)c(OC)cc1Cl,CID723399,,,,,,,,,,,,0.0,,,,,
COc1ccc(Br)cc1C(=O)Nc1cc(C)cc(C)c1,CID806583,,,,,,,,,0.0,,0.0,0.0,,,,,
O=C(Nc1ccccc1O)c1ccccc1O,CID943655,,0.0,,0.0,0.0,,,0.0,,,,,,,,,
COc1cc(NC(=O)c2c(F)cccc2F)c(Cl)cc1Cl,CID1479503,,,,,,,,,,,,,,0.0,,,
NC(=O)c1ccccc1NC(=O)c1ccccc1F,CID877411,,,,0.0,,,0.0,0.0,,,,0.0,,,,0.0,
Cc1ccc(C(=O)Nc2ccccc2)cc1[N+](=O)[O-],CID796413,,,,,,0.0,,,,,,,,,,,
CCOc1ccccc1NC(=O)c1ccc(OCC)c([N+](=O)[O-])c1,CID833818,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(NC(=O)c2ccc(C)cc2Cl)c([N+](=O)[O-])c1,CID2906865,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)Nc2cc(OC)cc(OC)c2)cc1,CID792950,,,,,,0.0,,,,,,,,,,0.0,0.0
COc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1[N+](=O)[O-],CID879614,,,,,,0.0,,,,,,,,,,,
CN(c1cccc(NC(=O)c2ccccc2N(C)S(C)(=O)=O)c1)S(C)(=O)=O,CID2206554,,,,,0.0,,0.0,,,0.0,,,,,,0.0,
CCc1cccc(C)c1NC(=O)c1cccc(N(C)C)c1,CID690509,,0.0,,,,,,0.0,,,,0.0,,,,0.0,
CCN(CC)C(=O)c1ccccc1NC(=O)c1ccccc1,CID785954,,,,,,0.0,,,,,,,,,,,
CC(=O)N(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1,CID885237,,,,,,,,,,,,,,,0.0,,
CCCOc1ccc(C(=O)Nc2ccc(N(C)C)cc2)cc1,CID2292535,0.0,,,,0.0,,,,,,,0.0,,,,0.0,0.0
Cc1c(NC(=O)c2ccccc2N)cccc1C(=O)O,CID577561,0.0,,,0.0,,0.0,,,,,,,0.0,,,,
COc1ccc(OC)c(NC(=O)c2ccc(NC(C)=O)cc2)c1,CID869526,0.0,,,0.0,,,0.0,,,,,0.0,0.0,,,,0.0
COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cccc(OC)c2)c1,CID776295,,,,,,0.0,,,,,,,,,,,
Cc1cc(Br)cc(C)c1NC(=O)c1ccccc1[N+](=O)[O-],CID880764,,,,,,,,,,,,,,0.0,,,
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1,CID2914353,,,,,,,,,,,,0.0,,,,,
O=C(Nc1ccccc1)c1ccccc1O,CID6872,,,,0.0,,,0.0,,,0.0,0.0,0.0,0.0,,,0.0,0.0
Cc1cccc(C)c1NC(=O)c1ccc([N+](=O)[O-])cc1,CID477704,,,,,,0.0,,,,,,,,,,,
CCCNC(=O)c1ccccc1NC(=O)c1ccccc1N(C)S(C)(=O)=O,CID1796356,,,,,,,,,0.0,,,,,,,,
Cc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1,CID735216,,,,,,,,,0.0,0.0,,,,,,,
CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1,CID1548639,0.0,,,0.0,,,0.0,0.0,0.0,,0.0,,,,,0.0,
CCCCNC(=O)c1ccccc1NC(=O)c1ccccc1N(C)S(C)(=O)=O,CID2206372,,,,0.0,0.0,,,,0.0,,,,0.0,,,0.0,
Nc1ccccc1NC(=O)c1ccccc1,CID759408,,,,,,0.0,,,,0.0,,,0.0,0.0,,,
CCc1ccc(NC(=O)c2ccc(Cl)cc2)cc1,CID691035,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1,CID1289497,,,,0.0,,,,,0.0,,,0.0,0.0,0.0,,,
COc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1Cl,CID891452,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)Nc2cccc(S(C)(=O)=O)c2)cc1,CID1506549,,,,,,,,,,,,,,0.0,,,
CC(=O)c1ccc(NC(=O)c2ccccc2C)cc1,CID2171069,,,,,,0.0,,,,,,,,,,,
COc1cc(C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)cc(OC)c1OC,CID1265940,,,,,,,,,,0.0,0.0,,,,,,
COC(=O)c1ccc(NC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1,CID1304145,,,,,,,,,0.0,,,,,,,,
O=C(Nc1ccccc1OC(F)F)c1ccc(F)cc1,CID701324,,,,0.0,,,,,,,,,,,,,
CN(c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1)S(C)(=O)=O,CID894008,,,,,,,,,,,,,,0.0,,,
COc1ccccc1NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-],CID775341,,,,,,,,,,,,,,,0.0,,
COc1cccc(C(=O)Nc2ccc(N(C)C)cc2)c1OC,CID912405,,,,0.0,0.0,,,,,,,,,,,,
Cc1cccc(C(=O)Nc2ccc(O)cc2)c1,CID836078,,,,0.0,,,0.0,,,,,,,,,0.0,
CCOCCOC(=O)COC(=O)c1ccccc1NC(=O)c1ccccc1,CID1568529,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(C(=O)Nc2ccccc2C#N)cc1[N+](=O)[O-],CID802867,,,,,,,,,,,,,,,0.0,,
COc1ccccc1C(=O)Nc1ccc(C(=O)O)cc1,CID785218,,,0.0,,,,0.0,,,,,,0.0,,,0.0,
CC(=O)N(C)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1,CID668002,,,,,,,,0.0,0.0,,,,0.0,,0.0,,
CCOC(=O)c1ccccc1NC(=O)c1c(F)c(F)c(F)c(F)c1F,CID2165947,,,,,,,,,0.0,,,,,,,,0.0
CS(=O)(=O)Nc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1,CID2231419,,,,,,,,,,,,,,0.0,,,
O=C(Nc1ccccc1C(=O)O)c1ccccc1,CID68482,,,,,,,,,0.0,,,,,,,,
COc1ccc(C(=O)Nc2cccc(C)c2)cc1,CID346046,,,,,,,0.0,,0.0,0.0,,,,,,,
CCOc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc(OCC)c1OCC,CID2869577,,,,,,0.0,,,,,,,,,,,
Cc1cc(Br)c(NC(=O)c2ccccc2[N+](=O)[O-])cc1C,CID890701,,,,,,,,,,,,,,,0.0,,
CCOc1ccccc1C(=O)Nc1ccccc1O,CID836564,,,,0.0,0.0,,,0.0,,0.0,,0.0,,,,0.0,
CN(C(=O)c1ccccc1Cl)c1ccccc1,CID587357,,0.0,,0.0,,,,,,0.0,,,0.0,,,,0.0
CSc1ccccc1NC(=O)c1ccccc1N(C)S(C)(=O)=O,CID2208446,,,,0.0,0.0,,0.0,,,,0.0,,0.0,,0.0,,
CC(=O)Nc1ccc(NC(=O)c2ccccc2C)cc1,CID730081,,,,,,,,,,,,0.0,,,,,
CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2F)cc1,CID1262837,,,,,,,,,,,,0.0,,,,,
COCCSc1ccccc1C(=O)Nc1ccc(Cl)cc1,CID2218435,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1NC(=O)c1cccc(S(C)(=O)=O)c1,CID2599008,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)cc1,CID1306756,,,,,,,,,,,,0.0,,,,,
COc1cc(NC(=O)c2cccc(F)c2)c(OC)cc1NC(C)=O,CID869433,,,,,,0.0,,,,,,,,,,,
CCOc1cccc(C(=O)Nc2cccc(OC)c2)c1,CID876157,,,,,,0.0,,,,,,,,,,,
CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1,CID2683335,,,,,,,,,,,,,,0.0,,,
CCCOC(=O)c1ccc(NC(=O)c2ccccc2OC)cc1,CID1591446,,,,,,,,,,,,,,0.0,,,
COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccccc1,CID717865,,,,,,,0.0,,,0.0,,,0.0,,0.0,0.0,
COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cccc(OC)c1OC,CID1287844,,,,,,,,,,,,,,,0.0,,
COc1ccc(C)cc1NC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CID1719635,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1,CID306567,,,,,,0.0,,,,,,,,,,,
CC(=O)Oc1ccc(C(=O)Nc2cccc(C(=O)NCC(C)C)c2)cc1,CID2885314,,,,,,0.0,,,,,,,,,,,
N#Cc1ccc(NC(=O)c2ccccc2)cc1,CID82513,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1ccc(NC(=O)c2ccccc2C)cc1,CID689910,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1C,CID900532,,,,,,,,,0.0,,,0.0,,,,,
COc1ccccc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1,CID711581,,,,,,0.0,,,,,,,,,,,
CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC(C)=O)cc1,CID2211711,,,,,,,,,,,,,,0.0,0.0,,
CCOc1cc(OCC)cc(C(=O)Nc2c(C)cccc2C)c1,CID878156,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1Cl,CID2200923,,,,,,,,,,,,,,,,,0.0
COc1cccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])c1,CID889647,,,,,,,,,,,,,,,0.0,,
COC(=O)COc1cccc(NC(=O)c2ccccc2)c1,CID973374,,,,,,,,0.0,,0.0,,,0.0,,,0.0,0.0
CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2OC(F)(F)C(F)F)cc1,CID1301209,,,,,0.0,,,0.0,,,,,,,,,0.0
Cc1cc(O)ccc1NC(=O)c1ccccc1,CID800820,0.0,,,0.0,,0.0,0.0,,,0.0,0.0,,,,,0.0,
O=C(Nc1ccc(O)cc1)c1cccc(F)c1,CID809775,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC(=O)c2ccccc2O)c(OC)c1,CID1252095,,,,,,0.0,,,,0.0,,0.0,,,,,
CCCCC(=O)Nc1ccc(C(=O)N(CC)c2ccccc2C)cc1,CID2207510,,,,,,,,,,,,,,,0.0,,
COc1cccc(C(=O)Nc2cccc(OC(C)=O)c2)c1,CID1249967,,,,0.0,,,0.0,0.0,0.0,,,,,0.0,,,0.0
COc1cccc(NC(=O)c2ccc(NC(C)=O)cc2)c1,CID681924,,,,,,,,,,,,0.0,,,,,
COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cccc(C)c1,CID717604,,,,,,,,,,,,,,,0.0,,
Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1,CID1213228,,,,,,,,,,0.0,,,,0.0,,,
CCN(CC(=O)NC(C)C)C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1,CID2621569,,0.0,,,0.0,,0.0,,0.0,,0.0,,0.0,,,,
CCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1,CID1815793,,,,,,,,,,0.0,,,,,,,
CCOc1ccc(NS(=O)(=O)c2cc(C)c(C)cc2C)cc1,CID754043,,,,,,,,,,,,,,0.0,,,
NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1,CID788806,,,,,,,,,,,,,,0.0,,,
COc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)CC(C)C)cc2)cc1,CID1792017,,,,,,,,,,,,,,,0.0,,
COc1ccc(C)cc1NS(=O)(=O)c1cc(C)ccc1C,CID899169,,,,,,,,,0.0,,,0.0,,0.0,,,
CSc1cccc(NS(=O)(=O)c2ccccc2)c1,CID836479,,,0.0,,0.0,,0.0,,,,,,0.0,0.0,,,
COc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1OC,CID1296389,,,,,0.0,,,,,,,,,,,0.0,0.0
COc1cc(S(=O)(=O)Nc2cccc(C(=O)O)c2)c(OC)cc1Cl,CID2211267,,,,,,,,,,0.0,,,,,,,
CCOC(=O)NCc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1,CID847926,,,,,,,,,0.0,,0.0,0.0,,,0.0,,
O=C(O)CCCNc1ccc(S(=O)(=O)Nc2ccccc2C(=O)O)cc1C(=O)O,CID2255695,,,,,0.0,,,,,,,,,,,,
COc1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2C)cc1,CID2329148,,,,,0.0,,,,0.0,0.0,,0.0,0.0,,,,
Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(O)cc2)c1C,CID1244574,,0.0,,,,,,0.0,,,,,,,,0.0,0.0
COC(=O)c1cc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc(C(=O)OC)c1,CID1368835,,,,,,,,,,0.0,,,,,,,
COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(C)=O)cc1,CID989525,0.0,0.0,,0.0,,,,,,,0.0,,0.0,0.0,,,0.0
COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1,CID1314371,,,,,,,,,,,,,,0.0,0.0,0.0,
COC(=O)c1cc(NS(=O)(=O)c2ccc(OC)c(OC)c2)ccc1Cl,CID2206443,,,,,,,,,,,,,0.0,,,,
CC(=O)Nc1ccccc1N(C)S(=O)(=O)c1ccc(C)cc1,CID761296,,0.0,0.0,,,,,,0.0,,,0.0,0.0,,,,
COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCC(C)C)cc2)cc1,CID2233705,,,,,,,,,,0.0,,,,,,,
CCOc1ccccc1N(CC(=O)O)S(=O)(=O)c1ccc(C)cc1,CID846547,,,,0.0,,,,,0.0,0.0,,,0.0,,,0.0,
CCOC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1,CID896649,,,,,,,0.0,,,,0.0,,0.0,,,,
COc1ccc(N(C(C)=O)S(=O)(=O)c2cc(OC)ccc2OC)cc1,CID1242558,,,0.0,,,,,0.0,0.0,,,,,0.0,,0.0,
COc1ccccc1NS(=O)(=O)c1ccc(/C=C/C(=O)O)cc1,CID2345496,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(NS(=O)(=O)c2ccc(SC)cc2)cc1,CID967259,,,0.0,,,,,,,,,,,0.0,,,
CCOc1cc(S(=O)(=O)Nc2cc(C)cc(C)c2)ccc1Cl,CID850112,,,,,,,,,,,,0.0,,0.0,,,
CCOc1cc(S(=O)(=O)Nc2ccc(CC)cc2)ccc1Cl,CID850111,,,,,,,,,,0.0,,,,0.0,,,
CCNC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1,CID2223893,,,,,,,,,0.0,,0.0,0.0,,,,,
O=C(O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1,CID39854,,0.0,,,,,0.0,,,,,,,,,,
COc1cccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1,CID798936,,,0.0,,,,0.0,,0.0,,,,0.0,,,0.0,
COCCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)cc2)cc1,CID2224678,,0.0,,0.0,,,,,0.0,0.0,,,0.0,,,0.0,
CCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2O)cc1,CID2980565,,,,0.0,,,,,,,,,,,,,
CCOc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1,CID893367,,,,0.0,,,,,,0.0,,,,,,,
CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(OCC)cc1,CID894308,,,,,,,,,0.0,,,0.0,,,0.0,,
CC(C)C(=O)NC(=S)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1,CID1792422,,,,,,,,,,,,,,0.0,,,
CCN(c1ccccc1)S(=O)(=O)c1cc(OC)ccc1OC,CID768929,,,,,,,,,0.0,,,,,,0.0,,
CC(C)(C)NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1,CID1310943,,,,,0.0,0.0,,,,,,,,0.0,0.0,,
CCc1ccc(CC)c(S(=O)(=O)Nc2ccc(O)c(C(=O)O)c2)c1,CID697374,,0.0,,,0.0,,,0.0,0.0,0.0,,0.0,,0.0,,0.0,
C=CCNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1,CID2270885,,,,,,0.0,,,,,,,,,,,
CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)cc1,CID2696950,,,,,,,,,,,,,,0.0,,,
NC(=O)c1ccc(NS(=O)(=O)c2ccccc2F)cc1,CID2696954,,,,,,,,,,0.0,,,,,,,
COc1cc(NS(=O)(=O)c2ccc(OC)c(C)c2C)c(OC)cc1Cl,CID1289142,,,0.0,0.0,,,,,,,,,,,,,
CCc1ccc(NS(=O)(=O)c2ccc(OC)c(C)c2)cc1,CID894430,,,,,,,,,0.0,0.0,,,,0.0,,,
COc1cc(S(=O)(=O)Nc2ccccc2C)ccc1Cl,CID1259343,,,,0.0,,,,,,,,,,0.0,,,
COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1,CID1332617,,,,,,,,0.0,,,,,,,,,0.0
COc1cc(C)c(S(=O)(=O)Nc2ccccc2F)cc1C,CID2236619,,0.0,,,,,0.0,,,,,0.0,,,,0.0,
COc1ccc(OC)c(S(=O)(=O)Nc2ccc(F)cc2)c1,CID4081068,,,,,,,,,,0.0,,0.0,,,,,
O=C(O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1O,CID1242001,0.0,,,,,,0.0,,,,,,,,,,
COc1ccc(C)cc1S(=O)(=O)N(CC(=O)O)c1ccc(F)cc1,CID2981035,,,,0.0,,,0.0,,,,,,,,,0.0,
Cc1ccc(N(CCC(=O)O)S(=O)(=O)c2ccc(C)cc2)cc1,CID1548134,,,,,,,,,,,,,,0.0,,,
COc1ccc(C)cc1S(=O)(=O)Nc1ccccc1,CID967888,,,,,,,,,0.0,,,,,,,,
COc1ccc(C)cc1S(=O)(=O)Nc1cccc(C)c1,CID967885,,,,,,,,,,,,,,0.0,0.0,,
O=C(O)/C=C/c1cccc(NS(=O)(=O)c2ccccc2)c1,CID749844,,,,,,,,,,,,,,,0.0,,
CCCCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1,CID2224401,,,0.0,0.0,,,0.0,,0.0,,,,,,,0.0,0.0
COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)Nc2cccc(SC)c2)c1OC,CID2104779,,,,,,,,,,,,,,,0.0,,
Cc1cccc(NS(=O)(=O)c2cc(OCC(N)=O)c(C)cc2Cl)c1,CID992283,,,,,,,,,,0.0,,0.0,,,,,
CC(=O)Oc1ccccc1N(C(C)=O)S(=O)(=O)c1ccc(C)cc1,CID284329,,,,,,,,,,,,,,0.0,,,
COc1ccc(C)cc1S(=O)(=O)N(CC(=O)O)c1ccc(C)cc1,CID838667,,,,0.0,,,,,0.0,0.0,,0.0,0.0,,,0.0,
COc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1S(N)(=O)=O,CID4840764,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(N(CCC#N)S(=O)(=O)c2ccc(OC)cc2)cc1,CID3239775,,,,0.0,,,,,0.0,0.0,,,,,,,0.0
COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(N)=O)c1,CID1332750,,0.0,,,,,0.0,0.0,0.0,,,,,,,0.0,
COc1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1,CID2442232,,,0.0,0.0,,0.0,0.0,,0.0,,,,,0.0,0.0,,0.0
CCOc1ccc(N(CC(N)=O)S(=O)(=O)c2ccc(F)cc2)cc1,CID1264203,,,,,,,,,,0.0,,,,0.0,,,0.0
COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1,CID2850103,,,,,0.0,,,,,0.0,,,,,,,
CC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1,CID563797,,,,,,,,,,,,0.0,,0.0,,,
CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(C)c2)cc1,CID2099919,,0.0,,,0.0,,,,0.0,0.0,,,0.0,,0.0,,
COc1ccccc1NS(=O)(=O)c1ccc(OC)c(OC)c1,CID778399,,,0.0,,,,,0.0,0.0,,,,,0.0,,0.0,
COc1cccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)c1,CID778398,,,0.0,,,0.0,,,0.0,,,,,0.0,,0.0,
CC(=O)c1ccccc1NS(=O)(=O)c1ccccc1Cl,CID2767178,,,,,,,,,,,,,,0.0,,,
CNC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1,CID1095269,,,0.0,,,,,,0.0,,0.0,,,,,,
COc1ccc(F)cc1S(=O)(=O)Nc1ccc(C)cc1,CID2234557,,,,,,,,0.0,,0.0,,0.0,,,,,
COc1ccc(OC)c(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)c1,CID991754,,,,0.0,,,,,,0.0,,,0.0,,,,
CN(c1ccccc1C(N)=O)S(=O)(=O)c1ccccc1,CID900524,,,,,0.0,,0.0,,,,,,0.0,,,0.0,
Nc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CID68351,,,,,,,,,,0.0,,,,,,,
COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(OC)c(OC)c2)c1,CID1319308,,,,,,,,,0.0,0.0,,0.0,,0.0,,,
COc1ccc(C)cc1S(=O)(=O)Nc1cccc(Cl)c1,CID967894,,,0.0,,,,,,,,,,0.0,,0.0,,0.0
COC(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2OC)cc1,CID967912,,,,,0.0,,,,0.0,,,0.0,,,,0.0,
COc1ccc(C)cc1S(=O)(=O)N(CC(=O)O)c1ccccc1,CID967914,,,,,,,,,,0.0,,0.0,0.0,,,,
Cc1c(F)cccc1NS(=O)(=O)c1ccccc1C#N,CID1251952,,,,,,,0.0,,,,,0.0,,,,,
Cc1cc(NS(=O)(=O)c2ccccc2)c(C)c(Cl)c1O,CID747934,,,0.0,,,,,,0.0,0.0,,,,0.0,,,0.0
COC(=O)CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1,CID665700,,,,0.0,,0.0,,0.0,,0.0,,,0.0,0.0,0.0,,
COc1cc(S(=O)(=O)Nc2ccccc2)ccc1NC=O,CID897980,,,,,,,,,,,,0.0,,0.0,,,
COC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)cc2)c1C,CID900630,,,,,,,,,0.0,,,0.0,,0.0,0.0,,
COc1ccc(S(=O)(=O)Nc2ccc(CC#N)cc2)cc1,CID882562,,,0.0,0.0,,,0.0,,,,,,,0.0,,,
Cc1cc(C)c(S(=O)(=O)Nc2ccc(O)cc2)c(C)c1,CID754032,,,0.0,0.0,,,,0.0,0.0,,0.0,,,0.0,,,0.0
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)O)cc2)cc1,CID258011,,0.0,,0.0,,0.0,0.0,,,,,0.0,,0.0,,0.0,
CCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1OC,CID889176,,,,0.0,,,0.0,,,,,,,,0.0,,
Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1,CID846964,,,,,,0.0,,,,,,,,,,,
COc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1NC(C)=O,CID2985377,,,,,,,,,,,,,,,0.0,,
COc1ccc(OC)c(S(=O)(=O)Nc2ccc(C(N)=O)cc2)c1,CID893489,,,,0.0,,,0.0,0.0,,,,,,0.0,,0.0,
Cc1ccc(NS(=O)(=O)c2cccc(C(=O)O)c2)c(C)c1,CID2308189,,,0.0,,0.0,,,,0.0,,,0.0,,,,0.0,
CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(NC(=O)C(C)(C)C)c2)cc1,CID1026291,,,,0.0,,,0.0,0.0,,0.0,,,0.0,,,0.0,
CCCCNC(=O)NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1,CID2898891,,,,,0.0,,,,,,0.0,,,,0.0,,0.0
Cc1ccc(S(=O)(=O)Nc2ccccc2C(N)=O)cc1,CID952251,,0.0,,0.0,,,0.0,,0.0,,,,,,,0.0,
COC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2SC)cc1,CID2208882,,,0.0,,0.0,,0.0,,0.0,0.0,,,,,,0.0,
COc1ccc(OC)c(S(=O)(=O)Nc2ccccc2C)c1,CID768864,,0.0,,,,,0.0,0.0,0.0,,,0.0,,0.0,,,0.0
CCc1ccc(NS(=O)(=O)c2cc(OC)ccc2OC)cc1,CID768866,,,,,,0.0,0.0,,0.0,0.0,,0.0,,0.0,,0.0,0.0
Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)NCCO)cc2)cc1,CID2212958,,,,,,,,,0.0,,,,,,,,
CSc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1,CID2238383,,,0.0,,,,0.0,,,0.0,0.0,,,,,,
COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)cc1C,CID2210545,,,,,0.0,,,,,0.0,,,,,,0.0,
Cc1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2Cl)cc1,CID793725,,,,,,,,,,0.0,,,,,,,0.0
COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1,CID1313100,,,,,0.0,,0.0,,,0.0,,,,,,0.0,
CCOc1cc(C)c(S(=O)(=O)Nc2ccc(F)cc2)cc1C,CID2237332,,,,,,,,,,,,0.0,,,,,
CNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2F)cc1,CID2568330,,,,,,,,,,,,,,0.0,,,
COc1ccc(S(=O)(=O)Nc2ccccc2C)cc1,CID796476,,,,,,,,,,,,,,0.0,,,
O=C(O)c1ccccc1NS(=O)(=O)c1ccccc1C(F)(F)F,CID697912,,,,,,,,,,,,,,,,,0.0
CCNC(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1,CID2530892,,,0.0,,,,,,0.0,,,0.0,,0.0,,,
CC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2)c(C)cc1C,CID7312196,,,,,,0.0,,,,,,,,,,,
CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(C)cc2)c(C)cc1C,CID7312199,,,,,,0.0,,,,,,,,,,,
Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)O)cc2)cc1,CID974279,,,,,,,,,0.0,0.0,,,,0.0,,,
COC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1,CID836309,,,,,,,,,0.0,,,,,,,,
COC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(SC)cc1,CID1106325,,,,,,0.0,,,,,,,,,,,
CCOC(=O)C(O)(c1ccc(N(CC)S(=O)(=O)c2ccccc2)cc1)C(F)(F)F,CID3115332,,,,,,,,,,,,,,,,,0.0
CCOc1ccc(NS(=O)(=O)c2cc(OC)ccc2OC)cc1,CID2921434,,,,,,,,,0.0,0.0,,,,0.0,,,
COc1ccc(NS(=O)(=O)c2ccc(SC)cc2)cc1,CID973953,,,0.0,0.0,,,0.0,,0.0,0.0,,,0.0,,0.0,,
COCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1,CID660328,,0.0,0.0,,,,0.0,,,0.0,,0.0,,,,0.0,0.0
CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)O)cc1,CID2082583,,,,,,,,,,,,0.0,,,,,
O=S(=O)(Nc1ccccc1Cl)c1ccc(F)cc1,CID341408,,0.0,,,,,,,,,,,,0.0,,,
CCN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1C,CID1291714,,,,,,,0.0,,,,,,,,,,0.0
CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1,CID669166,,0.0,,,,0.0,0.0,,0.0,,0.0,,,,,,0.0
COCCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1,CID2222600,,,,,0.0,,,,0.0,0.0,,,0.0,,,0.0,
COc1ccc(C)cc1S(=O)(=O)Nc1cccc(Cl)c1Cl,CID900826,,,,,,,,,,0.0,,,,,,,
COc1ccc(C)cc1S(=O)(=O)Nc1cc(Cl)ccc1Cl,CID900828,,,,,,,,,,0.0,,,,,,,
Cc1cc(S(=O)(=O)Nc2ccccc2C)ccc1F,CID977264,,,,,,,,,,,,0.0,,,,,
COCCNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1,CID648669,,,,,,,0.0,,0.0,,,,0.0,,,0.0,
COc1ccc(OC)c(NS(=O)(=O)c2cc(OC)ccc2OC)c1,CID1295477,,,0.0,,,,,0.0,0.0,0.0,,,0.0,,0.0,0.0,
C=C(C)CN(CC)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1,CID2494703,,,,,,,,,,,,,,,0.0,,
CCc1ccccc1NS(=O)(=O)c1cc(C)ccc1OC,CID935199,,,0.0,,,,,,0.0,0.0,,,,0.0,,,
COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NCC(C)C)cc1,CID2609065,,,,,,,,,,,,,,0.0,,,
COc1ccc(S(=O)(=O)Nc2cc(C)ccc2OC)cc1C,CID975485,,,,,,,0.0,0.0,0.0,,,,0.0,0.0,0.0,,
COc1ccc(C)cc1N(CC(N)=O)S(=O)(=O)c1ccc(C)cc1,CID846778,,,0.0,,0.0,,0.0,,0.0,,,,,,,0.0,
Cc1ccccc1NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl,CID990927,,,0.0,,0.0,,,,0.0,,,0.0,,,,,
COc1ccc(S(N)(=O)=O)cc1N(C)S(=O)(=O)c1ccccc1,CID2964723,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(NS(=O)(=O)c2cc(Cl)ccc2OC)cc1,CID802882,0.0,0.0,,0.0,,,,,,0.0,0.0,,0.0,,,,0.0
CCOC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1,CID894271,,,,,,,,,0.0,,,0.0,,,0.0,,
C=CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(SC)cc1,CID2231474,,,,,0.0,,,,0.0,0.0,0.0,,0.0,,,,0.0
COCCCNC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1,CID2891038,,,,,0.0,,,,,,,,0.0,,,,
CC(=O)N(c1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1,CID872481,,,,,,,,,,,,,,0.0,,,
COc1ccc(S(=O)(=O)Nc2ccccc2C(N)=O)cc1OC,CID778405,,,,,,,,,,,,,,0.0,,,
CC(C)CNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-],CID2252291,,,,,,0.0,,,,,,,,,,,
COc1ccc(C)cc1S(=O)(=O)Nc1cccc(SC)c1,CID974558,,,0.0,,,,,,0.0,0.0,,,,0.0,,,
COc1ccc(S(=O)(=O)N(CC(=O)NCCCN(C)C)c2ccc(C)cc2)cc1OC,CID2262434,,,,0.0,0.0,0.0,,0.0,0.0,,0.0,,0.0,,,,0.0
COc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1,CID310128,,,,0.0,,,,,,,,,,0.0,,,0.0
Cc1ccc(NS(=O)(=O)c2cc(C(N)=O)ccc2C)cc1,CID967339,,,,,,,,,0.0,,,,,,,,
COC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1,CID690082,,,,,,,0.0,,0.0,,0.0,,,,,,
C=CCNC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1,CID2273277,,,,,,0.0,,,,,,,,,,,
COCCCNC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1,CID2273760,,,,,,,0.0,,,,,,,,,0.0,
CCOc1ccc(N(CC(=O)OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1,CID1311116,,,,,,,,0.0,,,,,,,,,0.0
COc1ccc(OC)c(S(=O)(=O)Nc2ccc(C(C)=O)cc2)c1,CID768882,,,,,,0.0,,,0.0,0.0,,,,,,,
CCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(SC)cc1,CID2864242,,,,,,0.0,,,,0.0,,0.0,,,,,
COc1ccc(OC)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1,CID891616,,,,,,,,,0.0,0.0,,0.0,,0.0,,,
COc1ccccc1N(CC(N)=O)S(=O)(=O)c1ccc(C)cc1,CID749146,,0.0,,,0.0,0.0,,0.0,0.0,,0.0,,,,,0.0,
Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)O)cc2)cc1,CID2428985,,,,,,,,,0.0,0.0,0.0,,,0.0,0.0,,
CCOc1ccc(S(=O)(=O)Nc2cccc(OC)c2)cc1,CID893583,,,,,,,,,0.0,0.0,,,,0.0,0.0,,
COC(=O)COc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1,CID2961199,,,,,,,,,,,,,,,0.0,,
CCCN(CCC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1,CID1213362,,,,,,0.0,,,,,,,,,,,
CCN(c1ccccc1)S(=O)(=O)c1ccc(N)cc1,CID833589,,0.0,0.0,0.0,0.0,,0.0,,,,0.0,,,,,,
COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2)cc1,CID362726,,,,,,,0.0,,,,,,,,,,
CCCNC(=O)NC(=O)COC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1,CID3254854,,,,,,,,,,,,,,,0.0,,
CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)O)c1,CID2329208,,0.0,,,,,,,0.0,,,,,0.0,0.0,,
CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1,CID769001,,,,,,,,,0.0,,,,,0.0,,,
COc1ccc(N(CC(=O)NC(C)C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1,CID2188279,,,,,,,,,,,,,,,0.0,,
COc1ccc(NS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2)cc1,CID1313208,,0.0,0.0,,0.0,,,,,,,,,,,,
COc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1C,CID893150,,,,,,,,,0.0,,,,,0.0,,,
COc1cc(NS(=O)(=O)c2ccc(C)cc2C)cc(OC)c1OC,CID2125956,,,,,,0.0,,,0.0,,,,,,0.0,0.0,
Cc1ccc(C)c(S(=O)(=O)Nc2ccc(O)cc2)c1,CID846970,,,,0.0,0.0,,,,0.0,,,0.0,0.0,0.0,,,0.0
CCCCOc1ccc(S(=O)(=O)Nc2cc(OC)ccc2OC)cc1,CID2296209,,,,,,,,,,,,,,0.0,0.0,,
CCCCNS(=O)(=O)c1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)cc1,CID2186738,,,,,,,,,,0.0,,,,,0.0,,
NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1,CID647360,0.0,0.0,0.0,,,,,,,,,,0.0,,,,
Cc1cccc(C)c1NS(=O)(=O)c1ccc(F)cc1,CID647368,,,,0.0,,,,,,,,0.0,,,,,
CCOc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2)cc1,CID1120944,,0.0,,0.0,,,,,0.0,,,,,0.0,,,
Cc1c(NS(=O)(=O)c2ccccc2)cc(Cl)c(O)c1C,CID693414,,,,,,,,,,0.0,0.0,,,0.0,,,
CCOc1ccc(NC(=O)C(C)O)c(NS(=O)(=O)c2ccc(CCNC(C)=O)cc2)c1,CID2974906,,,,,0.0,,,0.0,,,0.0,,,,,,
COC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2F)cc1,CID712612,,,,,,,,,,,0.0,,,0.0,,,
COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(C)cc2)cc1,CID1121511,,,0.0,0.0,,,,0.0,,,,0.0,,,,0.0,
O=S(=O)(Nc1ccccc1)c1ccc(F)cc1,CID67559,,,,,,,,,,,,0.0,,,,,
Cc1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2Cl)c(C)c1,CID967271,,,,,,,0.0,,,0.0,,,0.0,,,,0.0
COc1ccc(C)cc1S(=O)(=O)Nc1ccccc1C,CID934797,,,,0.0,,,,0.0,0.0,,,0.0,0.0,0.0,,0.0,0.0
CCNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1,CID2250796,,,,,,,,,0.0,,,0.0,,,,,
Cc1ccccc1NS(=O)(=O)c1cc(C(N)=O)ccc1C,CID962001,,0.0,,0.0,,,0.0,,0.0,,,,,,,,
C=CCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OCC)cc2)cc1,CID2222298,,,,,,,,,,,,,,,0.0,,
COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)OCC(N)=O)cc1,CID2110224,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(N(CC(=O)N(C)C)S(=O)(=O)c2ccc(SC)cc2)cc1,CID1334991,,,,,,0.0,,,,,,,,,,,
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NN)c1,CID2318083,,,,,,,,,0.0,,,,,,,,
CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)cc1,CID2264658,,,,,,,,0.0,,,,,,,,0.0,
COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1,CID1010065,,,,,,,,,0.0,,,,,,,,
COCCNC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1,CID1733756,,0.0,,0.0,,0.0,,0.0,0.0,0.0,,,,,,0.0,
COc1ccc(OC)c(S(=O)(=O)Nc2ccccc2C(F)(F)F)c1,CID2209082,,,,,0.0,,,,,,,0.0,,,,,
COC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1,CID743385,,,,,,,,0.0,0.0,,,0.0,,,,,
COC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1,CID737695,,,,,0.0,0.0,,0.0,0.0,0.0,0.0,,,0.0,,0.0,0.0
CCOC(=O)c1ccccc1NS(=O)(=O)c1ccccc1F,CID2696970,,0.0,,,,,,,,,,,,,,,
Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2C)cc1,CID693389,,,,,,,,,,0.0,,,,0.0,,,
COc1cc(NS(=O)(=O)c2cc(C)ccc2OC)c(OC)cc1Cl,CID1289166,,,,,,,,,,0.0,,,0.0,,0.0,,
Cc1cc(C(C)(C)C)cc(S(=O)(=O)Nc2ccc(O)c(C(=O)O)c2)c1C,CID1287305,,,,,,,,,0.0,0.0,,0.0,,,,,
CCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1,CID961957,,,,0.0,,,0.0,,0.0,,,0.0,,,0.0,,0.0
COC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1,CID661748,,,,,,,0.0,,,,,,,,,,
COc1cc(NS(=O)(=O)c2ccc(F)cc2)c(OC)cc1NC(C)=O,CID1362037,,0.0,,,,,,,,0.0,,0.0,,0.0,,,
O=C(O)c1ccc(F)c(S(=O)(=O)Nc2ccccc2Cl)c1,CID891461,,,,0.0,,,,,,,,,0.0,,,,
CCN(CC)C(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1,CID1266725,,,,,,,,,0.0,,,,,,0.0,,
COc1ccc(N(CC(N)=O)S(=O)(=O)c2ccccc2)cc1,CID846621,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C(N)=O)cc1S(=O)(=O)Nc1cccc(C)c1C,CID1242022,,,,0.0,,,0.0,,0.0,,,,0.0,,,,
COc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C(C)C)cc2)cc1,CID1792532,,,,,,0.0,,,,,,,,0.0,,,
CCOC(=O)Cc1ccc(NS(=O)(=O)c2ccc(SC)cc2)cc1,CID1329176,,,,,0.0,,,,,,,,,0.0,0.0,,
C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)OCC(=O)N(C)C)c1,CID2083980,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)Nc2ccc(N(C)C)cc2)cc1,CID519684,,,,,,,,,,,,,,0.0,,,
COc1cccc(NS(=O)(=O)c2c(C)cc(C)cc2C)c1,CID779111,,,,0.0,,,0.0,0.0,0.0,0.0,,0.0,0.0,0.0,,,
COc1cccc(NS(=O)(=O)c2cc(C)ccc2OC)c1,CID934507,,,0.0,,,,0.0,0.0,0.0,,,0.0,,,,0.0,
CC(=O)N(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1,CID872494,,,,,,,,,,,,,,0.0,,,
CC(=O)c1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)cc1,CID795024,,,,,,,,,,,,,,,0.0,,
Cc1cc(C(C)(C)C)cc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)c1C,CID1188105,,,,,,,,,,,,,,,0.0,,
CN(c1ccc(C(=O)O)cc1)S(=O)(=O)c1ccccc1,CID804306,,,,,,,,,0.0,,,,,,,0.0,
CC(=O)c1cccc(NS(=O)(=O)c2cc(OCC(N)=O)c(C)cc2Cl)c1,CID1288702,,,,,,,,,0.0,,,0.0,,,,,
COc1ccc(S(=O)(=O)Nc2ccc(N(C)C(C)=O)cc2)cc1,CID742884,,,,,,,,,0.0,,,0.0,,,,,
Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1ccccc1,CID851380,,,,,,,,,,,,,,,0.0,,
Cc1ccccc1NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1C,CID851381,,,,,,,,,,,,,,,0.0,,
CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1,CID961795,,,,,,0.0,0.0,,0.0,,,0.0,,,,0.0,
CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)O)ccc1C,CID2345113,,,,,,,,,1.0,,,0.0,,,0.0,,
COc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)cc1[N+](=O)[O-],CID2945595,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(S(=O)(=O)N(CC(=O)N(CC)CC)c2ccc(C)cc2)cc1,CID2270856,,,,,,0.0,,,,,,,,,,,
CCCCOc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)cc1,CID3108173,,,,,,,,,0.0,0.0,0.0,,,,,,
O=C(O)/C=C/c1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC(=O)O)cc2)cc1,CID2462921,,,,,,,,,,,,,,,0.0,,
CCN(CC)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1,CID3139007,,,,,,,,,,0.0,,,,,,,
CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCCOC)cc2)cc1,CID2972284,,0.0,,,,,,0.0,0.0,0.0,,,0.0,,,,
COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)cc1,CID770818,,0.0,0.0,,,,,,,0.0,,,,0.0,,,0.0
COc1ccc(OC)c(S(=O)(=O)Nc2ccc(CC(=O)O)cc2)c1,CID1279138,,,,,0.0,,,0.0,0.0,,,,0.0,0.0,0.0,0.0,
COC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1,CID1335935,,,,,,,,,,0.0,,,,,,,
CCNS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1,CID993392,,,,0.0,0.0,,0.0,,0.0,0.0,0.0,,0.0,0.0,0.0,,
O=C(O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)c1,CID1076740,0.0,,,,,,,,,,,,,,,,
COC(=O)c1cccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1C,CID1290039,,,,,,,,,,,,0.0,,,,,
COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC(C)C)cc1OC,CID1315034,,,,0.0,,,0.0,,,0.0,,,0.0,,,0.0,
COc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCC(C)C)ccc1F,CID2079757,,,,,,,,,,,,,,0.0,,,
COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1OC,CID3236356,,,,0.0,,,,,,,,,,,,,0.0
Cc1cc(Cl)c(S(=O)(=O)Nc2cccc(C(=O)O)c2)cc1OCC(N)=O,CID1289067,,,,,,,,,0.0,,,,,,,,
COc1ccc(S(=O)(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1,CID1006846,,,,,,,,,,,,,,0.0,,,
COC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)c1C,CID1006841,,,,,,,,,0.0,0.0,,,,,,,
COc1ccccc1NS(=O)(=O)c1ccc(NC(C)=O)cc1,CID668310,,,,0.0,,,,,0.0,,0.0,0.0,0.0,0.0,,0.0,
Cc1ccc(S(=O)(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1[N+](=O)[O-],CID2948718,,,,,,,,,,,,,,0.0,,,
CN(C)c1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1,CID2489123,,,,,,,,,,,,,,0.0,,,
C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)O)c1,CID2386003,,,,,,,,,0.0,,,,,0.0,0.0,,
COCCNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(SC)cc1,CID2260394,,,0.0,,0.0,0.0,,,,0.0,,,0.0,,,,
COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cccc(C)c1,CID1332709,,,,,0.0,,,0.0,0.0,,,,,0.0,,0.0,
COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1Cl,CID1298081,,,,,,,,,0.0,0.0,,,,,,,0.0
COc1ccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC,CID1004366,,,0.0,,,0.0,,0.0,0.0,,,,0.0,0.0,,0.0,
CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1,CID2442061,,,,,,0.0,,,,,,,,,,,
COCCNC(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1,CID2215037,,,,,,,,0.0,,,,,0.0,,,,
CC(=O)c1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1,CID583674,,,,,,,,,,,,,,,0.0,,
CCOC(=O)COc1ccc(S(=O)(=O)Nc2cccc(SC)c2)cc1,CID1314336,,,,,,,,,0.0,,,,,,0.0,,
COC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1,CID846475,,0.0,,,,,,,,,,,0.0,,,,
CC(=O)c1ccc(NS(=O)(=O)c2cccc(C)c2)cc1,CID889998,,,0.0,,,,,,,,,,,0.0,0.0,,0.0
C=CCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1,CID2224487,,,,0.0,,,,,,0.0,,0.0,,,,,0.0
Cc1ccc(S(=O)(=O)N(C)c2ccc(NS(C)(=O)=O)cc2)cc1,CID1306381,,,,0.0,0.0,,,,0.0,,,,0.0,0.0,,,0.0
CCC(C)NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1,CID2890313,,,,0.0,0.0,,,0.0,0.0,,,,0.0,,,,
Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(OCC(=O)O)cc2)c1C,CID1261009,,,,,,,,,0.0,0.0,,,,,,,
Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2C(=O)O)c1C,CID2239280,,,,,,,,,,,,,,0.0,0.0,,
CC(=O)Nc1ccccc1NS(=O)(=O)c1ccc(C)cc1,CID648438,,,,0.0,,,,0.0,,,,0.0,,,,,
CCCNC(=O)/C=C/c1ccc(S(=O)(=O)Nc2ccccc2OC)cc1,CID2431670,,,,,,,,,,,,,,,0.0,,
CNC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1,CID1254800,,,,,,,,,,,,,,0.0,,,
COc1ccccc1NS(=O)(=O)c1ccccc1C#N,CID697978,,,,0.0,,,,,,,,0.0,,0.0,,0.0,
Cc1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1[N+](=O)[O-],CID2829581,,,,,,0.0,,,,,,,,,,,
COc1cc(C)c(S(=O)(=O)Nc2ccc(CC(=O)O)cc2)cc1C,CID672062,,,,,0.0,,,,,,,0.0,,,0.0,,
COc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1OC,CID839358,,,,0.0,,,,,,0.0,,,,,,,0.0
CCN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1,CID711084,,0.0,,,,,0.0,,,,,,,,,0.0,
COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(OC)cc2)c1,CID1122589,,,,,0.0,,,,0.0,0.0,,,0.0,,0.0,0.0,
Cc1cc(C)c(S(=O)(=O)Nc2ccc(O)cc2)cc1C,CID697331,,,,0.0,,,,,0.0,,,,0.0,,,,0.0
CCOc1ccc(NS(=O)(=O)c2ccc(OC)c(C)c2)cc1,CID893786,,,,,,0.0,,,0.0,0.0,,0.0,,0.0,,,
COc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)cc1,CID788783,,,,,,,,,0.0,,,0.0,,0.0,,,
CCN(CC)CCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2OC)c1,CID2334911,,,,,,,,,0.0,,,0.0,,,,,
COc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)cc1OC,CID1317173,,,0.0,0.0,,,,,0.0,,,0.0,0.0,,,0.0,
Cc1ccccc1NS(=O)(=O)c1ccc(F)cc1,CID668798,,,,,,,0.0,,,,,0.0,0.0,,,,
CC(=O)NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1,CID659891,,,,,0.0,,,,,,,,,,,,
Cc1cc(C)c(S(N)(=O)=O)c(C)c1N(C)S(=O)(=O)c1ccccc1,CID2969832,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(C)cc1,CID777275,,,,,,,,,,,,,,0.0,0.0,,
Cc1cc(NS(=O)(=O)c2ccccc2)cc(Cl)c1O,CID693393,,0.0,,,,,,,,,,,,0.0,,,0.0
CCOC(=O)NCc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1,CID992663,,,,,,,,,0.0,,0.0,,,,0.0,,
COc1ccc(C)cc1S(=O)(=O)Nc1ccc(F)c(Cl)c1,CID974570,,0.0,,,,,0.0,,,0.0,,,,0.0,,,
CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(O)cc2)cc1,CID2998367,,0.0,,,0.0,,,0.0,0.0,,0.0,,0.0,,,,
COC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1,CID967387,,,,0.0,,,,,,,,,,,,,
Cc1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1,CID800890,,,,,,,,,,0.0,,,,,,,
CCc1ccccc1NS(=O)(=O)c1ccc(OC)c(OC)c1,CID768959,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1,CID1346476,,,,,,,,,,,0.0,0.0,,,,,
CCc1ccc(OC)c(S(=O)(=O)Nc2ccccc2C)c1,CID847860,,0.0,0.0,,,,,,0.0,,,0.0,,0.0,0.0,,0.0
COc1cc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cc(OC)c1,CID1296542,,,,,,,,,0.0,0.0,,,,0.0,,0.0,
COc1ccc(C)c(S(=O)(=O)Nc2ccc(OCC(=O)O)cc2)c1,CID1260993,,0.0,,,0.0,,,,0.0,0.0,,,0.0,,0.0,,
COc1ccc(OC)c(S(=O)(=O)Nc2ccc(OCC(=O)O)cc2)c1,CID1260996,0.0,,,0.0,0.0,,,,0.0,,,,,,,,
CC(=O)Nc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1,CID873668,,,,,,,,,,0.0,,,,,,,
COc1ccc(OC)c(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)c1,CID1294812,,,,,,,0.0,,,0.0,,,,,,,
COc1ccc(OC)c(S(=O)(=O)Nc2ccccc2SC)c1,CID971355,,,,,0.0,,0.0,,0.0,0.0,,,,,,,
CCOC(=O)c1ccccc1NS(=O)(=O)c1ccccc1,CID627734,,,,,,,,,,0.0,,,,0.0,,,
CC(=O)c1ccc(NS(=O)(=O)c2ccc(CC(C)C)cc2)cc1,CID768834,,,,,,0.0,,,,0.0,,0.0,,,,,
COc1ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1OC,CID1095103,,0.0,0.0,,,,0.0,,0.0,0.0,0.0,0.0,,0.0,,0.0,
CCNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1,CID2271056,,,,,,,,,,0.0,,,,,0.0,,
CCOc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(C)cc2)cc1,CID802604,,0.0,,,,,,,0.0,0.0,,0.0,,,0.0,0.0,
COC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1,CID802602,,,,,,,,,0.0,,,0.0,,0.0,,0.0,
Cc1ccc(C)c(S(=O)(=O)Nc2ccc(O)c(C(=O)O)c2)c1,CID697376,,,,,,,,,,,,,,0.0,0.0,,
CCOC(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2OC)cc1,CID935535,,,,,,,,,0.0,0.0,,0.0,,0.0,,,
Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(N)=O)c1,CID797060,,,,,,0.0,,,0.0,0.0,,,,,,,
COc1cc(NS(=O)(=O)c2ccc(C)c(C)c2)c(OC)cc1Cl,CID1287957,,,,,,,,,,0.0,,,,,,,
CCCCNC(=O)/C=C/c1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1,CID2431769,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)cc1,CID771992,,,,,,,,,0.0,0.0,,,,,,,
CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1,CID629239,,,,,,,,,0.0,,0.0,,,,,,
CC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1,CID2939042,,,,,,,,,,,,,,0.0,,,
COc1ccc(Cl)cc1NS(=O)(=O)c1cc(Cl)ccc1OC,CID1326389,,,,,,,,,,0.0,,,,,,,
CC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1,CID682447,,,,,,,,,0.0,,,0.0,,0.0,,,0.0
CCN(c1ccc(C(O)(C(=O)OC)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1,CID2829556,,,,,,,,,,,,,,,,,0.0
COCCCNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(SC)cc1,CID2259820,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C)c(NS(=O)(=O)c2cc(C(N)=O)ccc2C)c1,CID967593,,,,0.0,,,,,0.0,,,,,,,0.0,
CC(C)(C)C(=O)Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O,CID4374113,,,,,,,,,,,,,,0.0,,,
CCOCCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)cc2)cc1,CID2227706,,,,,,,,,0.0,0.0,,,,,,,
COc1ccccc1NS(=O)(=O)c1cc(C)ccc1C,CID2423645,,,,,,,,,0.0,,0.0,0.0,,0.0,0.0,,
Cc1ccc(NS(=O)(=O)c2cc(OCC(N)=O)c(C)cc2Cl)cc1C,CID992266,,,,,,,,,,0.0,,,,,0.0,,
COc1ccc(NC(=O)CCNC(C)=O)cc1NS(=O)(=O)c1ccc(F)cc1,CID2098678,,0.0,,0.0,,,0.0,,,0.0,,,,,,0.0,
CSc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)cc1,CID2224351,,,0.0,,0.0,,,,0.0,0.0,0.0,,,,,,0.0
CCN(c1cccc(C)c1)S(=O)(=O)c1cccc(C(=O)O)c1,CID962497,,,,,,,,,,,,0.0,,0.0,,,
Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)O)ccc1Cl,CID962498,,,,0.0,,,,,0.0,0.0,0.0,,0.0,,,,0.0
COc1ccccc1NS(=O)(=O)c1ccc(O)cc1,CID2324622,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)C)ccc2C)cc1C,CID961916,,,,,,,,,,,,,,,0.0,,
CSc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1,CID961910,,,,,0.0,,,,,,0.0,,,0.0,,,
COCCNC(=O)CCc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1,CID1796430,,,,,,,,,0.0,0.0,0.0,,,,,,
COCCCNC(=O)CCc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1,CID1796432,,,,,,,,,0.0,0.0,,,,,,,
COc1ccc(S(=O)(=O)Nc2cc(C)c(O)cc2C(C)C)cc1,CID706370,,0.0,0.0,0.0,,,0.0,,0.0,0.0,,,,0.0,0.0,0.0,
Nc1ccc(Cl)c(S(=O)(=O)Nc2cccc(Cl)c2)c1,CID3724108,,,,,,,,,,,,,,,0.0,,
CCc1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1,CID2886280,,,,,,0.0,,,,,,,,,,,
CCNC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1,CID1728524,0.0,,,,,,,,,,,,0.0,,,0.0,
CCOc1ccccc1N(CC(=O)OC)S(=O)(=O)c1ccccc1,CID874752,,,,,,,,,,0.0,,,,0.0,,,
CCOc1cc(NS(=O)(=O)c2ccc(OC)cc2)c(OCC)cc1NC(C)=O,CID1428115,,,,,,,,,,,,,,0.0,,,
CCN(CC)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1,CID841703,,,,,,,,,,,,,,,0.0,,
C=CCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)cc2)cc1,CID2217788,,,,,,,,,0.0,,0.0,,,,,,
COC(=O)COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1,CID2205574,,,,,,,,,,,,,,,0.0,,
CSc1ccccc1NS(=O)(=O)c1ccccc1,CID969950,,,,,0.0,,,,,,,,,0.0,0.0,,
CCOc1ccc(S(=O)(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1,CID1006858,,,,,,,,,,,,0.0,,,,,
CCc1ccccc1NS(=O)(=O)c1ccc(SC)cc1,CID967758,,,0.0,,0.0,,0.0,,,,,,0.0,0.0,,,
COC(=O)COc1cccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1,CID1301470,,,,0.0,0.0,,,,,,,,0.0,,,0.0,
COCCNC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1,CID2263885,,,,,,0.0,,,,,,,,,,0.0,
COc1ccc(NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)cc1,CID992304,,,,,,,,,,,,,,0.0,,,
COc1ccc(S(=O)(=O)Nc2ccccc2)cc1OC,CID740560,,,,,,,,,0.0,,,0.0,,,,,
CCOc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1,CID1311777,,,,,,,,0.0,,,,,,,,,
Cc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)c(C)c1,CID846952,,,,,,0.0,,,,,,,,,,,
CCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(OC)c1,CID2206159,,,,0.0,,,,,,0.0,,,0.0,,0.0,,0.0
COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1OC,CID3244859,,,,,,,,,,,,,,,,0.0,0.0
COc1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)cc1,CID669057,,,,,,,,,,,,0.0,,,,,
COc1ccc(NS(=O)(=O)c2ccc(SC)cc2)c(OC)c1,CID967326,,,,,,,,,0.0,0.0,,,,,0.0,,
COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)c(C)c1C,CID850027,,,,,,0.0,,,,,0.0,0.0,,,,,
COc1ccc(C)cc1S(=O)(=O)Nc1ccc(F)cc1,CID850025,,,,,,,0.0,,,,,0.0,,,,,
COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)Nc2ccc(Cl)c(N)c2)c1,CID656371,,,,0.0,,,,,,,,,,,,,
CCN(CC)S(=O)(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(F)cc2)c1,CID2914527,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(S(=O)(=O)N(CC(N)=O)c2ccc(C)cc2)cc1,CID846414,,,0.0,,0.0,,,0.0,0.0,,,,,,,0.0,
CCOc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(F)cc2)cc1,CID1266057,,,0.0,,,,,,0.0,,,0.0,,,,0.0,
CNC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(F)cc1,CID1294866,,,,,,,0.0,0.0,,0.0,,,,,0.0,,0.0
COC(=O)c1ccc(NS(=O)(=O)c2ccc(SC)cc2)cc1,CID961729,,,,,0.0,,0.0,,0.0,0.0,,,,0.0,,,
COc1ccc(OC)c(NS(=O)(=O)c2ccc(SC)cc2)c1,CID966872,,,,,0.0,,0.0,,,,,,0.0,0.0,0.0,,
COc1ccc(S(=O)(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1C,CID1306210,,,,,,,,,,,,,,0.0,,,
COc1ccc(OC)c(S(=O)(=O)Nc2cccc(F)c2)c1,CID768854,,,,,,,,,0.0,,,0.0,,,,,
COc1ccc(OC)c(S(=O)(=O)Nc2ccccc2F)c1,CID768857,,,0.0,,,,,,,,,0.0,,0.0,,,
CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(SC)cc2)cc1,CID1243052,,,0.0,,0.0,,0.0,,0.0,,,,,,0.0,,0.0
O=C(O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)O)ccc1O,CID789790,,,,,0.0,,,,,,,,0.0,,0.0,,
CCNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(SC)cc1,CID653351,,,,0.0,,,0.0,,,0.0,0.0,0.0,,,,,0.0
CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)cc1,CID2133753,,,,0.0,,,,,0.0,,0.0,,,,,,0.0
COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1C,CID1298200,,,,,,,,,0.0,,,,,,,,
COc1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1,CID755970,,,,,0.0,,,0.0,0.0,,,,,,,0.0,0.0
COc1ccc(S(=O)(=O)Nc2cccc(SC)c2)cc1OC,CID3244613,,,,,0.0,,,,,,,,0.0,,,,
CCOc1ccc(S(=O)(=O)Nc2ccccc2SC)cc1,CID971455,,,,,,0.0,,,,,,,,,0.0,,
CCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1,CID2175488,,,,,,,,,,0.0,,,,0.0,,,
CCOc1ccccc1N(CC(=O)O)S(=O)(=O)c1ccccc1,CID807924,,,,0.0,,,,0.0,,0.0,,0.0,0.0,0.0,,0.0,
CCOc1ccc(C)cc1S(=O)(=O)Nc1cc(OC)c(Cl)cc1OC,CID2242822,,,,0.0,,,,,,0.0,,,0.0,,,,
C=CCNC(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1,CID2473776,,,,,,,,,,,,,,,0.0,,
COc1ccc(NS(=O)(=O)c2ccc(N)c(C(=O)O)c2)cc1,CID2357265,,,,,,,,,,,,,,,,0.0,
CCOc1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1,CID788027,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)O)cc2)cc1,CID973159,,,,,0.0,0.0,,,0.0,0.0,,,,0.0,0.0,0.0,
Cc1cc(C)c(S(=O)(=O)Nc2ccc(OCC(=O)O)cc2)c(C)c1,CID709831,,,0.0,,0.0,,,0.0,0.0,,,0.0,0.0,,0.0,,
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccccc1,CID229600,,,,,,0.0,,,,,,,,,,,
COc1ccc(OC)c(S(=O)(=O)Nc2ccccc2C(=O)O)c1,CID898080,,,,,0.0,,,,0.0,,,0.0,0.0,0.0,,0.0,
CNS(=O)(=O)c1cc(N(C)S(=O)(=O)c2ccc(C)cc2)c(C)cc1C,CID2921882,,,,,,,,,,,,,,,0.0,,
COc1ccc(N(CC(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)cc1OC,CID655669,,,,,0.0,,0.0,,,,0.0,,,,,,
COc1ccc(S(=O)(=O)N(C)c2ccc(C(N)=O)cc2)cc1,CID967709,,,,,,,,,0.0,,,,,,,,
COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)Nc2ccccc2SC)c1OC,CID2104470,,,,,,,,,,,,,,0.0,,,
COc1ccc(C)cc1N(CC(=O)O)S(=O)(=O)c1ccc(C)cc1,CID846571,,,,,,,,,0.0,,,0.0,0.0,,,0.0,
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1,CID1118251,,,,,,,,,,,,,,0.0,,,
COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N(CC(N)=O)C(C)C)cc1,CID2469862,,,,,,,,,0.0,,0.0,,,,0.0,,
COc1cc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc(OC)c1,CID2099037,,,,0.0,,,,,,,,,0.0,,0.0,0.0,
COCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1,CID2224658,,,0.0,,,,,,0.0,0.0,0.0,,0.0,,,,
COc1cccc(N(CC(=O)O)S(=O)(=O)c2ccccc2)c1,CID743110,,,0.0,,,,,,0.0,,,,,,,0.0,
C=CCNC(=O)c1ccccc1NS(=O)(=O)c1ccccc1,CID2197691,,,,0.0,,,0.0,0.0,0.0,,,0.0,0.0,,,,
CCOc1ccc(NS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2)cc1,CID1315081,,,,,0.0,,,,,,,,,,,,
CCN(c1ccc(C(O)(C(=O)OC)C(F)(F)F)cc1)S(=O)(=O)c1ccc(C)cc1,CID3115317,,,,,,,,,,,,0.0,,,,,
CCN(c1ccccc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N,CID67001,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1,CID220023,,,,,,,,,,0.0,,,,0.0,,,
CCOc1ccccc1N(C(C)=O)S(=O)(=O)c1ccc(Cl)cc1,CID1351137,,,,,,,,,,,,,,0.0,,,
CN(C)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1,CID519685,,,,,,,,,,,,,,0.0,0.0,,
COC(=O)COc1ccc(S(=O)(=O)Nc2cc(OC)ccc2OC)cc1,CID1314194,,0.0,,,0.0,,,,0.0,,,,,,,0.0,
COc1ccc(S(=O)(=O)Nc2cccc(NC(C)=O)c2)cc1,CID669140,,0.0,,0.0,,,,0.0,0.0,,,0.0,,0.0,,,
CCC(C)NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1,CID2947684,,,,,,,,,,,,,,0.0,,,
COc1ccc(N(CCC#N)S(=O)(=O)c2ccc(Cl)cc2)cc1,CID1712195,,,,,,,,,,0.0,,,,0.0,,,
COc1ccc(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)cc1,CID706367,,,0.0,0.0,,,0.0,0.0,0.0,,,,,0.0,,0.0,
COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)cc1,CID1302878,,,0.0,0.0,0.0,,0.0,,,0.0,,,0.0,,,0.0,
COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)O)c2)cc1,CID851353,0.0,,,,0.0,0.0,,0.0,,0.0,,0.0,,,,0.0,
CCOC(=O)NCc1ccc(S(=O)(=O)Nc2ccccc2C)cc1,CID847829,,,,,,,,,0.0,,,0.0,,,0.0,,
CCOc1ccc(S(=O)(=O)Nc2cc(OC)ccc2OC)cc1,CID894322,,,0.0,,,,0.0,,0.0,,,0.0,,,,,
CCCCN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccccc1,CID2217611,,,,,,,,,,,,,,,0.0,,
C=CCNC(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(C)cc1,CID1728564,,,,,,,,,,0.0,,,,,,,
COc1ccc(OC)c(S(=O)(=O)Nc2cccc(C(C)=O)c2)c1,CID768881,,,,,0.0,,,,0.0,0.0,,0.0,0.0,,,,
COc1cc(NS(=O)(=O)c2ccc(F)cc2)c(C(=O)O)cc1OC,CID1239984,,,0.0,,0.0,,,0.0,0.0,,,,,,,0.0,
COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1OC,CID992724,,,,,,,,,,0.0,,,,,,,
CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CC(C)(C)C)c1,CID4528891,,,,,,,,,,,,,,0.0,,,
COc1ccc(NS(=O)(=O)c2cc(C)ccc2OC)cc1OC,CID2240619,,,,,,,,,,,,,0.0,,,0.0,
CCOc1cc(NS(=O)(=O)c2ccc(Cl)cc2)c(OCC)cc1NC(=O)CC(C)C,CID1138870,,,,,,,,,0.0,0.0,,0.0,,,,,
CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1,CID1306752,,,,0.0,0.0,,,,,,,,,,,,
O=C(O)c1ccc(F)c(S(=O)(=O)Nc2ccccc2)c1,CID699907,,,,0.0,,,,,0.0,,,1.0,,,,,
CCC(C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(OC)c1,CID2947148,,,0.0,,,,,0.0,0.0,0.0,0.0,,0.0,,,,
COc1ccc(NS(=O)(=O)c2cccc(C(=O)O)c2)cc1,CID766535,,0.0,,,,,0.0,,,0.0,,0.0,0.0,,,,
CSc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1,CID1255888,,,,,,,0.0,,,0.0,,0.0,,,,,
COC(=O)c1cc(Cl)c(NS(=O)(=O)c2ccccc2)cc1OC,CID604621,,,,0.0,,,,,,,,,0.0,,,,0.0
CN(c1ccc(C(=O)O)cc1)S(=O)(=O)c1ccc(Cl)cc1,CID729555,,0.0,,,,,,,,0.0,,,,,,,0.0
CCN(CC)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1,CID2271496,,,,,,,,,0.0,,,,,,,,
Cc1ccc(S(=O)(=O)Nc2cccc(/C=C/C(=O)O)c2)cc1,CID737087,,,,,,,,,,,,,,,0.0,,
COc1ccc(OC)c(S(=O)(=O)Nc2c(F)cccc2F)c1,CID970096,,,,,,,,,,,,,,,,,0.0
COc1ccc(OC)c(N(CC(=O)O)S(=O)(=O)c2ccc(OC)c(OC)c2)c1,CID1129999,,,0.0,,,,,0.0,,,,,,,,,
COC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OC)cc1,CID1314517,,,,,0.0,,,,0.0,,,,,,,,
CNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1cc(C)ccc1OC,CID2239694,,,,,,,,,,0.0,,,,,,,
CC(=O)NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1,CID1111382,,,,,,0.0,,,,,,,,,,,
Cc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1C,CID737610,,,,,,,,,,,,,,0.0,0.0,,
O=C(O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1,CID846816,,,,,,,,,,,,0.0,,,,,
CCCN(CCC)CC(O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1,CID2915143,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(S(=O)(=O)Nc2ccc(F)cc2)c(C)c1C,CID935391,,,,,,,,,,,,0.0,,,,,
CCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1,CID2219117,,,,,,,,,0.0,0.0,,,,,,,
COC(=O)c1ccccc1NS(=O)(=O)c1ccc(O)c(C(=O)O)c1,CID1249341,,,,0.0,0.0,,,,,,,,,,,,
O=C(O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1,CID699751,,,,0.0,,,,,,,,,0.0,,,0.0,
CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1,CID2235281,,,,,,,,,,0.0,,0.0,,,,,
COc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(C(=O)O)c1,CID656044,,,,0.0,,,,,,,,,,,,,
COC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1,CID805815,,,,0.0,,,,0.0,,,,,,,,,
COc1ccc(S(=O)(=O)Nc2ccccc2SC)cc1C,CID956499,,,0.0,,,,0.0,,0.0,0.0,,,0.0,0.0,0.0,,
Cc1ccc(S(=O)(=O)N(C)c2ccc(N)cc2)cc1,CID266835,,,,,,,,,,0.0,,,,,0.0,,
CCc1ccc(CC)c(S(=O)(=O)Nc2ccc(C(=O)O)c(O)c2)c1,CID974602,,,,,0.0,,,,0.0,,,,0.0,0.0,,0.0,
COc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1OC,CID768965,,,,0.0,,,,,,,,,0.0,,,,
COc1ccccc1NS(=O)(=O)c1ccc(O)c(C(N)=O)c1,CID2953722,,,,0.0,,,,,,,,,,,,0.0,
COc1cc(S(=O)(=O)Nc2c(C)cc(C)cc2C)ccc1Cl,CID977153,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)cc1,CID747928,,,,,,,,,0.0,,,,,,,,
Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1ccccc1,CID747923,,,,0.0,,,0.0,0.0,,,,,,,,,0.0
CCOc1ccccc1NS(=O)(=O)c1ccc(OC)c(OC)c1,CID768993,,,,0.0,,,,,,,,,,0.0,,,
CCCCN(CC)C(=O)Cc1cn(C)c2ccccc12,CID3311675,,,,,,0.0,,,,,,,,,,,
CCOC(=O)CC(C#N)c1c[nH]c2ccccc12,CID593408,,,0.0,,,,,0.0,,0.0,,,,,,0.0,
CCOC(=O)c1c(C)[nH]c2ccc(O)cc12,CID82073,,,,0.0,0.0,0.0,,,,,,,,,,0.0,
CCN(CC)CCCNC(=O)Cc1c(C(=O)O)n(C)c2ccccc12,CID3236982,,,,,,0.0,0.0,,,0.0,,,,,,,
OCCNCC(O)Cn1ccc2ccccc21,CID644945,,,,,0.0,,0.0,0.0,,,,0.0,,,,,0.0
CCOC(=O)c1[nH]c2ccccc2c1NC(=O)CN(C)C,CID657463,,0.0,,0.0,,,0.0,,,0.0,,,,,,,
CCOC(=O)/C(=C/c1c[nH]c2ccccc12)NC(C)=O,CID2058450,,,,,,0.0,,,,,,,,,,,
CCC(CC)C(=O)NCc1ccc2c(c1)cc(C)n2C,CID3236543,,,,,,0.0,,0.0,,,,,,,,0.0,0.0
CCCC(=O)NCc1ccc2c(c1)cc(C)n2C,CID3237985,,0.0,,,,,,0.0,,,,,0.0,,,0.0,
CCOC(=O)c1c(C)[nH]c2cc(Br)c(O)cc12,CID700285,0.0,,,,,,,,,,,,,,,0.0,0.0
Cc1[nH]c2ccc(S(N)(=O)=O)cc2c1C,CID2273260,,,,0.0,0.0,,,,,,,,0.0,,,,
CCOC(=O)c1[nH]c2ccc(OC)cc2c1/N=C/N(C)C,CID3106028,,,,,,0.0,,0.0,,,,,,,,,
CCOC(=O)c1[nH]c2ccccc2c1NC(=O)COC,CID2157366,,,,0.0,,,,0.0,,,,,0.0,,,,
CCOC(=O)c1c(C)n(C)c2cc(OCCN(CC)CC)ccc12,CID1253334,,,,,,,0.0,,0.0,,,,,,,,
CC(C)CC(C)NNC(=O)c1cc2ccccc2[nH]1,CID4532276,,,,,,0.0,,,,,,,,,,,
CNCCc1c[nH]c2ccccc12,CID6088,,,,0.0,,,0.0,0.0,,,,,,,,,0.0
CCOC(=O)C(O)(c1cn(C)c2ccccc12)C(F)(F)F,CID3243569,,,,,,,,,0.0,,,0.0,,,,,
Cc1cc2cc(CNC(=O)CC(C)C)ccc2n1C,CID3239976,,,0.0,,,0.0,,,,,,,,,,0.0,
CCOC(=O)c1[nH]c2ccccc2c1/N=C/N(CC)CC,CID658192,,0.0,,,,,0.0,,,,,,,,,,0.0
CCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CNC(C)=O,CID655420,,0.0,0.0,0.0,,,,,,,,,0.0,,,,
Cc1cc2ccccc2n1CCNC(=O)C(C)C,CID3335282,,,,0.0,,,,,,0.0,,,,,,0.0,
CCS(=O)(=O)NCc1ccc2c(c1)cc(C)n2C,CID5158944,,,,,,,,,,,0.0,,,,,,
CCCNC(=O)NCCc1c(C)[nH]c2ccccc12,CID4667208,,,0.0,,,,0.0,,,,,,0.0,,,0.0,
CCOC(=O)c1c(C)n(C)c2ccc(OCCN(C)C)cc12,CID28983,,,,,,,,,,0.0,,,,,,,
CCN(CC)CCNC(=O)Cc1c(C(=O)O)n(C)c2ccccc12,CID3238085,,,,,,,,0.0,,0.0,,,0.0,,,,
CNC(=O)c1cc2cc(OC)ccc2n1CCN(C)C,CID711403,,,,,,,,,,,,0.0,,,,,
COc1ccc2[nH]c(C)c(C(=O)CN(C)C)c2c1,CID718247,,0.0,,,,,,,,,,0.0,,,,,
CCN(CC)Cc1c[nH]c2ccccc12,CID39450,,,,0.0,,0.0,0.0,,,,0.0,0.0,,,,,
Cc1cc2c(N=O)c(NO)ccc2[nH]1,CID657721,,0.0,0.0,,,,0.0,,,,,0.0,,,,,
Cc1ccc2[nH]c(CCN(C)C)c(CC#N)c2c1,CID657861,,,,0.0,,,,0.0,,,,0.0,,,,,
CC(=O)NCCc1c[nH]c2ccc(O)cc12,CID903,,,,,,,,0.0,,,,,,,,,
COC(=O)C(O)(c1cn(C)c2ccccc12)C(F)(F)F,CID3244168,,,,,,,,,,,,,,,,,0.0
CC(C)CCNC(=O)Cc1c(C(=O)O)[nH]c2ccc(Cl)cc12,CID3235615,,,0.0,,,,0.0,,,,,,0.0,,,0.0,0.0
CCN(CC)CC(=O)c1c[nH]c2ccccc12,CID56375,,0.0,0.0,0.0,,,0.0,0.0,,,,0.0,0.0,,,,
CCN(CC)CC(=O)c1c[nH]c2ccc(OC)cc12,CID1927759,,,,,,,,,,,0.0,0.0,,,,,
CC(C)OC(=O)Cn1cc(C#N)c2ccccc21,CID951682,,,,,,,,,,,,,,0.0,,,
CC(=O)Oc1ccc2c(c1)c(C(C)=O)c(C)n2C,CID793426,,,,,,,,,0.0,0.0,,,,,,,
Cc1[nH]c2ccccc2c1CC(=O)O,CID589107,,,0.0,,,,,,,,,,0.0,,,0.0,
CCOC(=O)c1c(C)[nH]c2cc(Br)c(OC)cc12,CID878538,,,,,,,,,,,,0.0,,,,,
CCOC(=O)CCC(=O)NCc1ccc2c(c1)cc(C)n2C,CID3238354,,,,,,,,0.0,,,,,0.0,,,0.0,
NC(Cc1c[nH]c2ccccc12)C(=O)O,CID9060,,,,,0.0,,,,,,,,,,,,
COCCCNC(=O)Cn1cc(C(C)=O)c2ccccc21,CID2215251,,,,,,,,0.0,,0.0,,,0.0,,,0.0,
CCOC(=O)c1[nH]c2ccccc2c1NC(C)=O,CID639578,,,,,,,,0.0,,,,,0.0,,,0.0,
CCOC(=O)c1c(C)n(C)c2ccc(OCC(O)CNC(CC)CO)cc12,CID3238365,,,,0.0,0.0,,,,,,,,,,,0.0,
CC(=O)Nc1c(Cl)n(C(C)=O)c2ccccc12,CID788168,,,,,,,,,0.0,,0.0,,,0.0,,0.0,0.0
CCOCCCNC(=O)Cc1c(C(=O)O)[nH]c2ccc(Cl)cc12,CID5309972,,,0.0,,,,,,,,,,0.0,,,0.0,
COC(=O)NCc1cc2cc(Cl)ccc2[nH]1,CID1245948,,0.0,,,,,,,,0.0,,,,,,0.0,0.0
C/C(CCc1c[nH]c2ccccc12)=N\O,CID318084,,,,0.0,,,,0.0,,,0.0,0.0,0.0,,,,
CCOc1ccc2[nH]c(O)c(NC(C)=O)c2c1,CID1213078,,0.0,,0.0,0.0,,,,,,,0.0,,,,,
CC(=O)Oc1c(/C=C(\C#N)C(N)=O)[nH]c2ccccc12,CID878545,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1c(C)n(C)c2ccc(OC(C)C(=O)OC)cc12,CID2892134,,,,0.0,,,,,,,,,,,,,
CCCS(=O)(=O)NCc1ccc2c(c1)cc(C)n2C,CID3243942,,,0.0,,0.0,,,,,,,,,,,,
Cc1c(C(=O)N(C)C)c2cc(Cl)ccc2n1O,CID901334,,,,,,,,,,,,,,0.0,0.0,,
CC(C)C(=O)NCCc1c[nH]c2ccccc12,CID884747,,,,,,,,,,,,,,,0.0,,
CCCn1cc(SCC(N)=O)c2ccccc21,CID2046611,,,,0.0,0.0,,,,,,,,,,,,
CC(C)NC(=O)CCCc1cn(C)c2ccccc12,CID3238185,,,,,,0.0,,,,0.0,,,0.0,,,0.0,
CCOC(=O)c1c(C)n(CCOC)c2ccc(O)cc12,CID1880472,,,,,,,,,,0.0,,,0.0,,,0.0,
CCOC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CNC,CID658265,0.0,,,,,,,,,,,,,,,,0.0
O=C(O)C(O)Cc1c[nH]c2ccccc12,CID676158,,,,,,,,,,,,,,0.0,,,
CCCCNC(=O)Nc1c(C(=O)OCC)[nH]c2ccccc12,CID660632,0.0,0.0,,,,0.0,0.0,,,,,,,,,0.0,
CC(=O)OCC(=O)c1ccc2ccn(C(C)=O)c2c1,CID3244117,,,,,,,,,,,,0.0,,,0.0,,
COC(=O)C(O)(c1c[nH]c2ccccc12)C(F)(F)F,CID611765,,,,,,,0.0,,,,,,,,,,0.0
Cc1[nH]c2ccccc2c1C(=O)CSCC(=O)O,CID963429,,,,0.0,0.0,,0.0,,,,0.0,,,,,,
O=C(O)c1c[nH]c2ccc(S(=O)(=O)N(CCCl)CCCl)cc12,CID1097626,,,,,,,,,,,,0.0,,,,,
CC(=O)c1c(C)n(CCO)c2ccc(O)cc12,CID712350,,,,,,,,,,,,0.0,,,,,
COC(=O)Cn1cc(C(=O)OC)c2ccccc21,CID951845,,,,,,,,,,,,,0.0,0.0,,,
NNC(=O)CCc1c[nH]c2ccccc12,CID230580,,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1cc2cc(C)ccc2[nH]1,CID232919,,,,,,,,,,,,,0.0,,,0.0,0.0
CC(=O)Nc1c(O)n(C)c2ccccc12,CID3237204,,,,0.0,,,,0.0,,,,,,,,,
CC(=O)Nc1c(C(=O)O)[nH]c2ccccc12,CID644669,,,0.0,,,,,,,,,0.0,,,,,
CCOC(=O)Cn1c(C)c(C#N)c2ccccc21,CID656302,,,0.0,,,,,0.0,,,,,,,,0.0,
O=C(O)CCc1c(C(=O)O)[nH]c2ccccc12,CID169313,,,,,,0.0,,,,,,0.0,,0.0,,,
Cc1[nH]c2ccc(C(=O)OCCN(C)C)cc2c1C,CID649711,,,,0.0,,,0.0,,,0.0,,0.0,,,,,
COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CNC(C)=O,CID3137294,,,,,,,,,,,,,,,0.0,,
CC(=O)NCCn1ccc2ccccc21,CID3237007,,,0.0,0.0,,,0.0,,,,,0.0,,,,,0.0
C/C(=N\O)c1c(C)c2ccccc2n1C,CID658798,,,,,,,,0.0,,,,0.0,,,,,
COC(=O)Cn1cc(/C=C/[N+](=O)[O-])c2ccccc21,CID879823,,,,,,,,,,,,,,,0.0,,
COc1cc2cc(C(=O)O)[nH]c2c(OC)c1OC,CID821052,,,,,,0.0,,,,,,,,,,,
COC(=O)/C(=C/c1c[nH]c2ccccc12)[N+](=O)[O-],CID2251286,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1cc2cc(OC)ccc2[nH]1,CID20926,,,,,,0.0,,,,,,,,,,,
Cc1[nH]c2ccccc2c1CCO,CID659192,,,,,,,,,,,,,0.0,,,0.0,0.0
COc1ccc2c(CC#N)c[nH]c2c1,CID785362,,,,0.0,,,,0.0,,,,,,,,0.0,
CC(=O)c1c(C)n(C(C)C)c2ccc(O)cc12,CID788824,,,,,,,,,,0.0,,0.0,,,,,
CCOC(=O)/C(C#N)=C/c1c[nH]c2ccccc12,CID688356,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1[nH]c2ccc(C)cc2c1/N=C/N(CC)CC,CID658244,,,,,,,0.0,0.0,,,,,,,,,
CC(C)NC(=O)Cn1cc(C#N)c2cc(Br)ccc21,CID972836,0.0,,,,,,,,0.0,,,0.0,,,,,0.0
CN(C)CC(=O)c1c[nH]c2ccccc12,CID34863,,,,,,0.0,,,,,,0.0,,,,,
COC(=O)c1[nH]c2cc(OC)ccc2c1N,CID662697,,,,,0.0,,,,,,,,,,,,
NCCCNC(=O)c1cc2ccccc2[nH]1,CID2219277,,,,,,,,,,,,,0.0,,,0.0,
C=COCCn1c(C)c(C(=O)OCC)c2cc(O)ccc21,CID646197,,,,,,0.0,,,0.0,,,,,,,0.0,
O=C(O)c1cc2cc(F)ccc2[nH]1,CID1820,,,,,,,0.0,,,,0.0,,,,,,
CCOC(=O)Nc1c(C(=O)OC)[nH]c2cc(OC)ccc12,CID664501,,,,,0.0,0.0,,,,,,,0.0,,,,
NC(=O)Cc1c[nH]c2cccc(O)c12,CID2053734,,,,0.0,0.0,,,,,,,,,,,,
CCOC(=O)c1[nH]c2ccccc2c1/N=C(\C)N(CC)CC,CID658453,,,0.0,,,,,,,,,,,,,,
CCOC(=O)c1[nH]c2ccccc2c1NC(=O)C(C)(C)C,CID2157352,0.0,0.0,,0.0,,0.0,,0.0,,,,,,0.0,,,
CCOC(=O)CSCc1c(C#N)c2ccccc2n1C,CID598249,,,,,,,0.0,,,,,,0.0,,,,0.0
CCOC(=O)c1c(C)n(CC(COC(C)=O)OC(C)=O)c2ccc(OC(C)=O)cc12,CID2838638,,,0.0,,,,,0.0,,,,,,,,,
CCOC(=O)c1[nH]c2ccc(OC)cc2c1C,CID604590,,0.0,,,,0.0,,0.0,,,,,,,,,
Cc1[nH]c2ccc(C(=O)O)cc2c1C,CID693386,,,,,,0.0,,,,,,,,,,,
CCCCC(=O)NCc1ccc2c(c1)cc(C)n2C,CID3240585,,,,,,0.0,,0.0,,,0.0,,,,,0.0,
CCCCn1c(C)c(C(=O)O)c2cc(OC)ccc21,CID1902562,,,,,,0.0,,0.0,,,,,,,,0.0,
Cc1cc2ccccc2n1CCNC(=O)C(C)(C)C,CID4162506,,,,,,,,,,0.0,,,,,,0.0,
CCOC(=O)C(=Cc1cn(C)c2ccc(S(=O)(=O)N(C)C)cc12)C(=O)OCC,CID3100934,,,,,,,,,,,,,,0.0,,,
Cc1[nH]c2ccccc2c1CCC(N)=O,CID796324,,0.0,,,,,0.0,,,,,,,,,,
CCOC(=O)c1c(C)n(COCCO)c2ccc(O)cc12,CID659469,,,0.0,,0.0,,,0.0,,,,,,,,0.0,
C=CCN(CC=C)Cc1c[nH]c2ccccc12,CID714712,,,,,,0.0,,0.0,,,,0.0,,,,,
COC(=O)CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C,CID319314,,,0.0,,,,,,,,,,,,,,
CCc1cccc2c(C#N)cn(CC(=O)NCCOC)c12,CID655797,,0.0,,,,,,0.0,,,,0.0,0.0,,,,
CCn1c(C)c(C(=O)O)c2cc(OC)ccc21,CID661104,,,,0.0,,,,,,,,,,,,0.0,
CC(=O)c1c(C)n(CCCOC(C)C)c2ccc(O)cc12,CID625722,,,0.0,,,,,0.0,,,,,0.0,,,,
Cc1cc2cc(CNC(=O)CCC(=O)O)ccc2[nH]1,CID3236591,,,,0.0,,0.0,0.0,,,,,,,,,,
CCOC(=O)c1[nH]c2ccccc2c1NC(=O)C(CC)CC,CID751370,,,,0.0,,,,,,,,,,,,,0.0
CC(C)(C)NCC(=O)c1c[nH]c2ccccc12,CID54308,,,,,,,0.0,0.0,,,,0.0,,,,,
COc1ccc2[nH]c(O)c(NC(C)=O)c2c1,CID977457,,,,,0.0,,0.0,,,,,,,,,,
CCOC(=O)c1c(C)n(C)c2ccc(OCC(N)=O)cc12,CID927400,0.0,,,0.0,0.0,,0.0,,,,,,,,,,
CCOC(=O)CCC(=O)NCc1ccc2[nH]c(C)cc2c1,CID3241160,0.0,,0.0,0.0,,,,,,,,0.0,0.0,,,,
Cc1c(/C=N/O)c2ccccc2n1C,CID683766,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(C)=O,CID645049,0.0,0.0,,0.0,,,0.0,0.0,,0.0,,0.0,,,,,
CC(NC(=O)C(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(C)C)C(N)=O,CID3144748,,,,,,,,,,,,,,0.0,,,
COc1ccc(OC)c2[nH]c(C(=O)O)cc12,CID510118,,,,,,,,,,,0.0,0.0,,,,,
CCOC(=O)c1c(C)n(C)c2ccc(OC(C)=O)cc12,CID181679,,,,,,,,,0.0,,,,,,0.0,,
COc1ccc2[nH]c(C(=O)O)c(CCNC(C)=O)c2c1,CID608124,,0.0,,,0.0,,,,,,,,0.0,,,0.0,0.0
CC(=O)CCc1c[nH]c2c(C(=O)O)cccc12,CID789890,,0.0,,0.0,,,,,,,0.0,,,,,0.0,
Cc1c(C#N)c2ccccc2n1CC(=O)O,CID653215,,,,,,,,,,,,,0.0,,,,
Cc1cc2cc(OCC(=O)O)ccc2n1C,CID652583,0.0,,,,,,,,0.0,,0.0,,,,,,
COCC(=O)NCc1ccc2c(c1)cc(C)n2C,CID3242366,,0.0,,,,,,,,,,,,,,,
CC(C)(C)NC(=O)Cn1cc(C#N)c2cc(Br)ccc21,CID972891,0.0,,,,,,,,0.0,,,,,,,0.0,0.0
CCOC(=O)CN(C)Cc1c[nH]c2ccccc12,CID782526,,,,0.0,,,0.0,,,,,,,0.0,0.0,,
CC(=O)NCCc1c[nH]c2ccccc12,CID70547,,,,,,,,0.0,,,,,,,,,
COC(=O)C(NS(C)(=O)=O)(c1c(C)[nH]c2ccccc12)C(F)(F)F,CID3238910,,,,,,,,0.0,0.0,0.0,,,,,,,0.0
CCC(=O)NCCn1c(C)cc2ccccc21,CID4652371,,,,,,,,,,0.0,,,,,,0.0,
CCOC(=O)c1[nH]c2ccccc2c1NC(=O)CC,CID813716,,0.0,,0.0,,,0.0,,,,,0.0,,,,0.0,
CCN(CC)Cc1c[nH]c2c(C(=O)OC)cccc12,CID818345,,,,0.0,,,,0.0,,0.0,,,,,,,
CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1N,CID942254,,,,,,0.0,,,,,0.0,,,,,,
O=C(O)CCC(=O)c1c[nH]c2ccccc12,CID730037,,,0.0,,,,,0.0,,,,,0.0,,,0.0,
CCC(=O)NCCSc1c[nH]c2ccccc12,CID2068185,,,0.0,,0.0,0.0,0.0,,,,,0.0,0.0,,,,
CCN(CC)CC(=O)c1c[nH]c2ccc(C)cc12,CID665295,,,,,,,0.0,,,,,,0.0,,,0.0,
CN(C)CCNC(=O)Cc1c(C(=O)O)n(C)c2ccccc12,CID3239743,,,,,,,,,0.0,,,,,,,,
CCS(=O)(=O)Nc1c(C(=O)OC)[nH]c2ccccc12,CID666889,,,0.0,0.0,,,,,,,,,,,,0.0,
CCOC(=O)Cn1cc(/C=C/[N+](=O)[O-])c2ccccc21,CID753352,,,,,,,,,,,,,,,0.0,,
COC(=O)c1c(S(N)(=O)=O)c2ccccc2n1C,CID793583,,,,,,,0.0,,,,,,,,,,
COC(=O)C(Cc1c[nH]c2ccccc12)NC(C)=O,CID582449,,,,,,,,,,0.0,,,,,,,
CC(C)(C)C(=O)NCCn1ccc2ccccc21,CID4199247,,,,,,,,,,0.0,,,,,,,
CCOC(=O)CCCc1c[nH]c2ccccc12,CID292652,,,,,,,,,,,0.0,,,,0.0,,
O=C(NCCc1c[nH]c2ccccc12)C(F)(F)C(F)F,CID3102229,,,,0.0,,,,,0.0,,,,,,,,
CCOC(=O)c1[nH]c2ccc(C)cc2c1/N=C(\C)N(C)C,CID651973,,,,0.0,,,,0.0,,,,0.0,,,,,
CCOCC(=O)NCc1ccc2c(c1)cc(C)n2C,CID5142912,,0.0,,,,,,,,,,,0.0,,,0.0,
Cc1c(C(=O)COC(C)(C)C)[nH]c2ccccc12,CID657444,0.0,,0.0,0.0,,,,0.0,,,,,0.0,,,,0.0
C=CCOC(=O)Nc1c(C(=O)OC)[nH]c2ccccc12,CID660149,0.0,,,,,,0.0,0.0,,,,,0.0,,,0.0,
CCCn1cc(C(CC(=O)O)C(=O)O)c2ccccc21,CID2960712,,,0.0,,,,0.0,,,0.0,,,,,,,
Cc1[nH]c2c(Cl)cccc2c1CCN,CID601380,0.0,,,,,,0.0,,,,,,,,,0.0,
CCNC(=O)NCCc1c[nH]c2ccc(Cl)cc12,CID667366,0.0,0.0,,,,,0.0,,,,,,,,,0.0,
Oc1ccc2[nH]ccc2c1,CID16054,,,,,,,,,,,,0.0,,,,,
COC(=O)C(F)(F)Sc1c(C)[nH]c2ccccc12,CID595568,,,,,,,0.0,,,,,,0.0,,,,0.0
C=CCOC(=O)Nc1c(C(=O)OC)[nH]c2ccc(Cl)cc12,CID660032,0.0,,,0.0,,,,,,,,,,,0.0,,0.0
CCOC(=O)c1c(C)n(CCO)c2ccc(O)cc12,CID811497,,,,,0.0,,0.0,,,,,,0.0,,,0.0,
CC(=O)NCCn1c(C)cc2ccccc21,CID4287474,,,,,,,,,,,,,0.0,,,0.0,
CCOC(=O)NCc1ccc2[nH]c(C)cc2c1,CID4588656,,,,,,,,,,,,,0.0,,,0.0,
COc1ccc2c(c1)c(C(=O)O)c(C)n2CC(C)C,CID659107,,,0.0,,,,0.0,0.0,0.0,,,,,,,,
CCn1cc(SCC(N)=O)c2ccccc21,CID4462601,,,,,0.0,,,,,,,,0.0,,0.0,,
CCOC(=O)Cn1cc(C(=O)OC)c2ccccc21,CID654649,,,,,,,,,0.0,,,,,0.0,,0.0,
COCC(=O)c1[nH]c2ccccc2c1C,CID40230,,,,,,0.0,0.0,,,,0.0,,,,0.0,,
CCOC(=O)NCc1ccc2c(c1)cc(C)n2C,CID3241490,,,0.0,,,0.0,,,,,,,,0.0,,,
Cc1cc2c(OCC(O)CNC(C)(C)C)cccc2[nH]1,CID152662,,,,,,,,,,0.0,,,,,,,
CCCC(=O)c1c(C)c2ccccc2n1C,CID874753,,,,,,,,,,,,,,,,0.0,
C/C(=N\O)c1ccc2[nH]ccc2c1,CID661472,,,,0.0,,,,,,,,0.0,,,,,
CCOC(=O)c1c(C)n(CCNC(C)=O)c2ccc(O)cc12,CID674263,,,,,,,,,,,,,,,0.0,,
NC(=O)CCc1c[nH]c2ccccc12,CID351791,,,,,,,0.0,,,,,,,,,,
Cc1[nH]c2c(C)cccc2c1CC(=O)O,CID228478,,,,,,,,,,,,,,0.0,,,
CCCCN(CC)C(=O)Cc1c(C(=O)O)[nH]c2ccc(Cl)cc12,CID3237013,,0.0,,,,,,,,0.0,,,0.0,,,,
Cc1cc2cc(CNS(=O)(=O)N(C)C)ccc2[nH]1,CID3499281,,,,,,,,0.0,,,,,,,,,
Cn1c(C(=O)O)cc2cc(F)ccc21,CID662546,,,,,,,,0.0,,,,,,,,,
CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)OC,CID655361,,,,,0.0,,,0.0,,,,,,,,0.0,
CCOC(=O)Cc1c[nH]c2ccccc12,CID13067,,,,,,,,0.0,,,,,,,,0.0,
CCC(C)NC(=O)Cc1cn(C)c2ccccc12,CID3632441,,,,,,0.0,,,,0.0,,,,,,,
CCCCn1c(C)cc2cc(O)ccc21,CID660970,,,,,,,,,,,,,,,,,0.0
CCCS(=O)(=O)Nc1c(C(=O)O)[nH]c2ccccc12,CID666514,,,,,,,,,,0.0,,,,,,,
COc1ccc2c(c1)cc(C(=O)O)n2C,CID647460,,,0.0,,,,,,,0.0,,,0.0,,,0.0,
Cn1cc(C(CC(=O)O)C(=O)O)c2ccccc21,CID2946636,,,,,,,,,,0.0,,,,,,,
COC(=O)CCCNC(=O)c1ccc2[nH]c(C)c(C)c2c1,CID2539096,,,,,,,,,,,,,,,0.0,,
CCCC(=O)c1cn(CC(=O)OC)c2ccccc12,CID652014,,0.0,,,,0.0,,,0.0,0.0,,,0.0,,,0.0,
COc1ccc2[nH]cc(CCN(C)C)c2c1,CID1832,,,,,,,,0.0,,,,,,,,,
CC(C)C(=O)NCCn1ccc2ccccc21,CID3239146,,,,,,,,,,,,0.0,,,,0.0,
COCCNC(=O)Cc1cn(C)c2ccccc12,CID3237946,,,,,,,,0.0,,,,,,,,0.0,
CCOC(=O)c1[nH]c2ccccc2c1/N=C/N(C)C,CID3106026,,,,,,,,,,,,0.0,,,,,
COC(=O)c1cn(C(=O)OC)c2ccccc12,CID747462,,,,,,,,,0.0,,,,,,0.0,0.0,
CCOC(=O)CNC(=O)C(=O)c1c(O)[nH]c2ccccc12,CID3240764,,,,,0.0,,,,,,,,,,,,
CCOC(=O)c1[nH]c2ccc(C)cc2c1N,CID657472,,0.0,,0.0,,,1.0,,,0.0,,,,,,,
CCC/C=N/NC(=O)c1[nH]c2c([N+](=O)[O-])cccc2c1C,CID3701276,,,,,,,,,,,,,,,0.0,,
Cc1[nH]c2ccccc2c1SCCN,CID2049520,,,,,,,,,,,,0.0,,,,,
CCOC(=O)Nc1c(C(=O)OC)[nH]c2cccc(OC)c12,CID664557,,,,,0.0,,0.0,0.0,,,,,0.0,,,,
CSc1c(CC(=O)NCCO)n(C)c2ccccc12,CID3235595,,,,0.0,0.0,,0.0,,,,,,,,,,0.0
CCOC(=O)c1c(C)n(C)c2c(C)cc(O)c(OC(C)=O)c12,CID1364946,,,,,,,,0.0,,,,,,,,,
CCOC(=O)c1[nH]c2ccccc2c1NC(=O)CC(C)C,CID2157309,0.0,,,0.0,,,0.0,0.0,,,,,,,,,
COc1cc2cc(C(=O)O)n(C)c2c(OC)c1OC,CID648477,,,0.0,,,,0.0,,,,,,,0.0,,0.0,
NC(=O)CSc1c[nH]c2ccccc12,CID658000,,0.0,,,0.0,,,,,,,0.0,,,,,
CN(C)Cc1c(C#N)c2ccccc2n1C,CID661371,,,,,,,,,,,,0.0,,,,,
COc1ccc2[nH]c(C(=O)O)c(CCC(=O)O)c2c1,CID963505,,,,,,,,,,0.0,,,,,,,
CC(Sc1c[nH]c2ccccc12)C(=O)O,CID3925572,,,,,,,,,,0.0,0.0,,,,,,
O=C(NCCc1c[nH]c2ccccc12)C(F)(F)F,CID384618,,,,,,,,,0.0,,,,,,,,
NC(=O)COC(=O)CCCc1c[nH]c2ccccc12,CID2371088,0.0,,,0.0,0.0,,0.0,,,,,0.0,,,,,
CC(C)NCC(O)COc1cccc2[nH]ccc12,CID688095,,,,,,,,0.0,,,,,,,,,
CCCC(=O)Nc1c(C(=O)OCC)[nH]c2ccccc12,CID813711,0.0,0.0,,,,,0.0,0.0,,,,,,,,,
COC(=O)c1ccc2ccn(CC(=O)NC(C)C)c2c1,CID848463,,,,0.0,,,0.0,,,,,,,,,0.0,
CCCC(C)NNC(=O)c1cc2ccccc2[nH]1,CID11958426,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1c(C)n(C)c2c(C)cc(O)c(OC(=O)CC)c12,CID2265316,,,,,,0.0,0.0,,,,,,0.0,,,0.0,
N#Cc1cn(CC(=O)O)c2ccccc12,CID652683,,0.0,0.0,,,0.0,,0.0,,,,,,,,,
NC(=O)NC(=O)COC(=O)CCCc1c[nH]c2ccccc12,CID2116656,,,,0.0,0.0,,,,,,,,,,,,
CC(=O)/C=C(\C)NC(Cc1c[nH]c2ccccc12)C(=O)O,CID2998511,,,,,0.0,,0.0,,,,,,,,,,
O=C(O)c1ccc2cc[nH]c2c1,CID595230,,,,0.0,,,,,,,,,,,,,
CC(=O)NCCCc1c[nH]c2ccc(Cl)cc12,CID666701,0.0,,0.0,,,,,,,0.0,,,,,,,0.0
CCOC(=O)CC(C#N)c1cn(C)c2ccccc12,CID663396,,,,,,,,,,0.0,,,,,,0.0,
CCOC(=O)c1[nH]c2ccccc2c1NC(=O)CC(C)(C)C,CID2157363,,,,0.0,,0.0,,0.0,,,,,,,,,
Cc1c(C)n(C)c2ccc([N+](=O)[O-])cc12,CID950592,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1[nH]c2ccc(F)cc2c1/N=C(\C)N(CC)CC,CID657793,,,0.0,,,,,,,,,,,,,,
CC(C)CNC(=O)CCc1c[nH]c2ccccc12,CID2461390,,,,,,,,,,,,0.0,,,,,
CCc1c(C(=O)O)[nH]c2ccc(Br)cc12,CID661296,0.0,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1c(C)n(C)c2cc(Br)c(C(=O)OC)cc12,CID1068733,0.0,,,,,,,,,,0.0,,,,,,0.0
Cn1c(Cl)nc2ccccc21,CID663080,,,,,,,,,0.0,,,,,,,,
COC(=O)c1ccc2nc(C(F)(F)F)[nH]c2c1,CID55935,,,,,,,,,0.0,,,,,,,,
CC(C)n1c(NCCO)nc2ccccc21,CID2773135,,,,,,,,,,,,,,0.0,,,
CCCCn1cnc2cc(C)c(C)cc21,CID2130268,,,,,,,,,,,,,,,0.0,,
CCCNC(=O)Nc1ccc2c(c1)nc(C)n2C,CID3153873,,,,,,,,,,,,0.0,,,0.0,,
CCCCn1c(CNC(=O)CCC)nc2ccccc21,CID3591547,,,,0.0,,,,,,,,0.0,,,,0.0,
CCCCn1c(NCCO)nc2ccccc21,CID3066874,,,,,,,,,,,,0.0,,0.0,0.0,,
CC(=O)Nc1nc2ccccc2n1CCN(C)C,CID878762,,,,0.0,,,,0.0,,,,0.0,0.0,,,,
CCOc1ccc2nc(SC(C)C(N)=O)[nH]c2c1,CID2997746,,,,0.0,,,,,,,,,,,,,
CC(C)CSc1nc2ccccc2n1CC(N)=O,CID696877,,,,0.0,,,0.0,,,,,,0.0,,,,
CCCCn1c(CCCNC(=O)CC)nc2ccccc21,CID5072899,,,,,,,,,,0.0,,0.0,,,,0.0,
CSCCC(NC(=O)CCNC(C)=O)c1nc2ccccc2[nH]1,CID2468068,,,,,,,,,,0.0,,,,,,,
C=CCOc1ccc2nc(NC(=O)OC)[nH]c2c1,CID1781887,,,,,,,,,,,,0.0,,,,,
CCCc1nc2ccccc2[nH]1,CID21624,,,,,,,,,,0.0,,0.0,,,,,
Cn1c(NCCCO)nc2ccccc21,CID2952410,,,,,,,,,,0.0,0.0,0.0,,,,,
Cn1c(CNC(=O)C(C)(C)C)nc2ccccc21,CID751066,,,0.0,,,,,,,,,,,,,0.0,
CCn1c(CNC(=O)C(C)(C)C)nc2ccccc21,CID751067,,,,,,0.0,,0.0,,,0.0,,0.0,,,0.0,
CCn1c(CNC(=O)COC)nc2ccccc21,CID751069,,,,0.0,,,,0.0,,,,,,,,,
CCCCCn1c(C(C)NC(=O)CCC)nc2ccccc21,CID3530846,,,,,,,,0.0,,,,,,,,,
CCOC(=O)n1c(SCC(N)=O)nc2ccccc21,CID691467,,,,,,,,,,,,0.0,,,,,
CCCCn1c(C(C)O)nc2ccccc21,CID2874844,,,,,,,,,,,,,0.0,,,,
CC(C)(C)NC(=O)Cn1c(SCC(N)=O)nc2ccccc21,CID3224621,,,,,,,,,,0.0,,,,,,,
CCC(=O)Nc1nc2ccccc2n1CCN(CC)CC,CID745083,,,0.0,,,,,0.0,,,,,,,,,
CCCOc1ccc2nc(NC(=O)OC)[nH]c2c1,CID4622,,,,,,,0.0,0.0,,,,,0.0,,,,
Cn1c(CO)nc2cc(N)ccc21,CID867664,,,,0.0,,,,0.0,,,,0.0,,,,,
CCn1c(C)nc2cc(S(=O)(=O)C(F)(F)C(F)C(F)(F)F)ccc21,CID660547,,,,,,,,,0.0,,,,,,,,
C=C(Br)Cn1c(CC)nc2ccccc21,CID950532,,,,,,,,,,,,0.0,,,,,
CN(Cc1nc2ccccc2n1C)S(C)(=O)=O,CID935474,,,0.0,,,,,,,,,,,,,,
CCOC(=O)Cn1c(C(C)=O)nc2ccccc21,CID5074864,,,,0.0,,,,,,,,,,,,0.0,0.0
C=C(C)Cn1c(CCNC(=O)C(C)C)nc2ccccc21,CID955340,,,,0.0,,,,,,0.0,,,,,,,
CCOC(Cn1c(CCCO)nc2ccccc21)OCC,CID3461043,,,,,,0.0,,,,,0.0,,,,,,
CN(C)/C=C(\C#N)c1nc2ccccc2[nH]1,CID702576,0.0,0.0,,0.0,,,,,,,,0.0,,0.0,,,
C=CCSc1nc2ccccc2[nH]1,CID1605100,,,,,0.0,,,,,,,,,,,,
CCCNC(=O)NC(=O)CSc1nc2ccccc2n1CC(C)C,CID2999595,,,,,,,,,,,,,,,,0.0,
O=C(O)CCCc1nc2ccccc2[nH]1,CID755565,,,,,,0.0,,,,,,,,,,,
CC(C)CCn1c(S(=O)(=O)O)nc2ccccc21,CID3839029,,,,,,,,,,0.0,,,,,,,
Cc1nc2c(Cl)cccc2[nH]1,CID1484897,,,,,,,,,,,,,,0.0,,,
CCOC(=O)NC(=O)CSc1nc2ccc(OCC)cc2[nH]1,CID2641318,,,,0.0,,,0.0,0.0,,,,,,,,,
C=C(C)Cn1c(CCNC(=O)CC)nc2ccccc21,CID3236998,,,,,,,,,,,,0.0,,,,,
CCn1c(SCC(=O)O)nc2ccccc21,CID720898,,,,,,,,,,,,,,0.0,,,
C=CCn1c(C(C)NC(=O)CC)nc2ccccc21,CID2972752,,,,,,,,,,,,,,,,0.0,
Cc1ccc2nc(S(=O)(=O)O)[nH]c2c1,CID2254367,,0.0,,,,,,,,,,,,,0.0,,
CC(C)c1nc2ccccc2n1CCC(=O)O,CID693345,,,,,,,,,,,0.0,,,,,,
CC(O)c1nc2ccccc2n1N,CID824892,,,,,,,,,,,,,,0.0,,,
COC(=O)n1c(SC)nc2ccccc21,CID595855,,,,,,,,,,,,,,,0.0,,0.0
CCCC(=O)NCc1nc2ccccc2n1C,CID2974300,,,,0.0,,,,,,,,,,,,,
COCC(=O)NCCc1nc2ccccc2[nH]1,CID2156836,,,,0.0,,,,,,,,,0.0,,,,
C=C(C)CSCc1nc2ccccc2[nH]1,CID962339,,,,,0.0,,,,,,,,,,,,
Cc1ccc2nc(C(C)O)[nH]c2c1,CID3160407,,,,,,0.0,,,,,,0.0,,,,,
OCCNc1nc2ccccc2[nH]1,CID583867,,,,,,,,,0.0,,,0.0,,,,,
CCC(Sc1nc2ccc(C)cc2[nH]1)C(=O)O,CID3152113,,,,,,,,,,,,0.0,,,,,
N#CCCn1cnc2ccccc21,CID2998555,,,,,,,0.0,,,,0.0,0.0,0.0,,,,
C=CCn1c(CCCNC(=O)CCC)nc2ccccc21,CID3244506,,,,,,,0.0,,,,0.0,,,,,0.0,
O=C(O)Cn1c(C(F)(F)F)nc2ccccc21,CID675083,,,,0.0,,,,,0.0,,,,,,,,0.0
C=C(C)Cn1c(CCCNC(=O)CC)nc2ccccc21,CID3242539,,,0.0,,,,,,,,,,,,,0.0,
CCOCCn1c(CCCO)nc2ccccc21,CID2999171,,,0.0,0.0,,,,,,,,,,,,,
CCCC(=O)NC(C)c1nc2ccccc2n1C(C)C,CID4592510,,,0.0,0.0,,,,,,,,,0.0,,,0.0,
CCCn1c(C(C)NC(C)=O)nc2ccccc21,CID3277795,,,,,,,0.0,,,,,,,,,0.0,
N#CCCn1c(C(C#N)(CCC#N)CCC#N)nc2ccccc21,CID2859186,,,,,,,0.0,,,,,,0.0,,,,
C=CCNC(=O)NC(=O)COC(=O)CCCSc1nc2ccccc2[nH]1,CID2999961,,0.0,,,,,,,,,,,0.0,,,,0.0
CCCCCn1c(CCCNC(=O)CC)nc2ccccc21,CID4393408,,,0.0,,,,0.0,,,,,,,,,0.0,
CCCCNC(=O)n1c(SC)nc2ccccc21,CID5096202,,,,,,,,,,,0.0,0.0,,,,,
CCC(C)SCc1nc2ccccc2[nH]1,CID2928438,,,,,0.0,,,,,,0.0,,,,,,0.0
N#CCCn1c(Cl)nc2ccccc21,CID659132,,0.0,,,,,,,,,,,,,,,
CCC(C)Cn1c(S(=O)(=O)O)nc2ccccc21,CID2964592,,,,0.0,,,,,,,,,,,,,
CCC(C)Cn1c(C(C)O)nc2ccccc21,CID2946441,,,,,,,,,,0.0,,,,,,,
COc1ccc2nc(NCCO)[nH]c2c1,CID656176,,,0.0,,,,,0.0,,,,,,,,,
CC(C)CCNC(=O)c1ccc2nc[nH]c2c1,CID2548246,,,,,,,,,,,,0.0,,,,,
CC(=O)Cn1c(C(F)(F)F)nc2ccccc21,CID876601,,,,0.0,,,,,0.0,,,,,,,,
CCn1c(C)nc2cc(OC)ccc21,CID2302414,,,,,,,,,,,,,,0.0,,,
CC(=O)NC(C)c1nc2ccccc2n1C(C)C,CID4179510,,,0.0,,,,,,,,,0.0,,,,0.0,
O=C(O)c1ccc2nc(C(F)(F)F)[nH]c2c1,CID646135,,,,0.0,,,0.0,,,,,,,,,,
CCCn1c(SCC(=O)O)nc2ccccc21,CID807738,,,,,,,,,,,,0.0,,,,,0.0
CCCn1cnc2c(N)c(C)c(C)cc21,CID1476332,,,,,,,,,,,,0.0,,,,,
C=CCn1c(C(C)NC(=O)COC)nc2ccccc21,CID4753639,,,0.0,,,,,,,0.0,,,,,,,
COC(=O)Cn1c(C(F)(F)F)nc2ccccc21,CID701813,,,,,,,,,0.0,,,,,,,,
CCC(C(=O)O)n1c(C(F)(F)F)nc2ccccc21,CID646477,,,,0.0,,,,,0.0,,,,,,,,
CCOC(=O)CSc1nc2ccccc2n1C(=O)OCC,CID672465,,,,,,,0.0,0.0,,0.0,0.0,,,,,,
CCCCC(NC(C)=O)c1nc2ccccc2[nH]1,CID4652021,,,0.0,,,,,0.0,,,,,,,,0.0,
Cn1c(CCCCCN)nc2ccccc21,CID649695,,,,,,0.0,,,,,,,,,,0.0,
CCCC(=O)NCCCc1nc2ccccc2n1CC,CID4654549,,,,,,,,0.0,,,,,,,,0.0,
CCOc1ccc2nc(NCCO)[nH]c2c1,CID651466,,0.0,,,,,,,,,,0.0,,,,,
FC(F)c1nc2ccccc2[nH]1,CID597703,,,,,,,,,,,,,,0.0,0.0,,
C=C(C)Cn1c(C(C)NC(=O)CCC)nc2ccccc21,CID3239901,,,,,,,,,,0.0,,,,0.0,,0.0,
CCCCCn1c(CNC(=O)COC)nc2ccccc21,CID3241831,,,,,,,,,,,,,0.0,,,,
Cc1nc2cc(Cl)ccc2n1CCO,CID762765,,0.0,,,,,0.0,,,0.0,,,,,,0.0,
Cc1nc2ccccc2n1CC(=O)NN,CID762766,,,,,,,,,,,,,,,0.0,,
CC(C)Cn1c(NCCO)nc2ccccc21,CID2951571,,,,,,,,,,,,0.0,,,,,
COCC(=O)NCc1nc2ccccc2[nH]1,CID751092,,0.0,,,,,,,,,,,,,,,
CCCCn1c(N(CCOC(C)=O)C(C)=O)nc2ccccc21,CID3241959,,,,0.0,,,0.0,0.0,,,,,,,,,
CNC(=O)NC(=O)CSc1nc2ccccc2n1CCOC,CID7043411,,,,,,,,,,0.0,,,,,0.0,,
CCn1c(C)nc2cc(C(=O)OCCC(F)(F)F)ccc21,CID2999244,,,,0.0,,,0.0,,0.0,,,,,,,,0.0
CCCCn1c(CNC(C)=O)nc2ccccc21,CID3281512,,,,,,,,,,,,,,,,0.0,
CCn1c(N)nc2ccccc21,CID595193,,,,,,,0.0,0.0,,,,0.0,,,,,
COc1ccc2nc(NCCCO)[nH]c2c1,CID2292259,,,,,,,,,,,,0.0,,,,,
COCC(=O)NC(C)c1nc2ccccc2[nH]1,CID3237629,,0.0,,,,,,,,0.0,,,,,,,
CC(C)(C)NC(=O)NC(=O)COC(=O)Cn1c(C(F)(F)F)nc2ccccc21,CID2998418,,,,,,,0.0,,0.0,,,,,,,,0.0
CCNC(=O)NC(=O)CSc1nc2ccccc2n1CCOC,CID7043415,,,,,,,,,0.0,,,,,,,,
C=C(Br)Cn1c(CC(C)C)nc2ccccc21,CID881707,0.0,,,,,,,,,,,0.0,,,,,0.0
C=CCn1c(CCCNC(=O)C(C)(C)C)nc2ccccc21,CID4393413,,,,,,,,0.0,,,0.0,,,,,,
COCCNC(=O)Cc1nc2ccccc2[nH]1,CID2357242,,,,,,,,,,,,,0.0,,,,
CCC(=O)NCc1nc2ccccc2n1CC,CID2975362,,,,0.0,,,,,,,,,0.0,,,0.0,
COC(=O)CSc1nc2ccccc2n1CC(=O)N(C(C)C)C(C)C,CID654192,,0.0,,0.0,,,0.0,0.0,,,,,,,,,
CCCCSc1nc2ccccc2n1CC(=O)O,CID2772433,,,,,,,,,,,,,,0.0,,,
CN(C)S(=O)(=O)n1cnc2ccccc21,CID654607,,,0.0,,,,,,,,,,,,,0.0,
CCCCn1c(C(C)NC(=O)CCC)nc2ccccc21,CID3986120,,,,0.0,,,,0.0,,,,,,,,0.0,
CCc1nc2ccccc2n1CCC(C)C,CID659718,,,,,,,,0.0,,,,,,,0.0,0.0,
CCC(=O)NCc1nc2ccccc2n1C(C)C,CID3600585,,,,,,,,,,,,,,,,0.0,
CCNC(=O)NC(=O)C(C)Sc1nc2ccccc2n1CC(C)C,CID4815329,,,,,,0.0,,,,,0.0,,,,,,
CCC(=O)N/C=C/n1cnc2cc(C(F)(F)F)ccc21,CID2997732,,,,0.0,,,,,0.0,,,,,,,,
CC(C)COC(=O)n1c(SCC(=O)N(C)C)nc2ccccc21,CID591296,,0.0,,0.0,,,0.0,,,,,,,0.0,,,0.0
CC(=O)NCc1nc2ccccc2n1C(C)C,CID751074,,,,0.0,,,,,0.0,,,0.0,0.0,,0.0,,
CCN(CC)CCCNc1nc2ccccc2[nH]1,CID2133593,,,,0.0,,,,,,,,,,,,,
Cc1cc2ncn(N)c2cc1C,CID657718,,,,0.0,,,,,,,,0.0,,,,,
CCOC(=O)Cn1c(C)nc2ccccc21,CID761836,,,,,,0.0,,0.0,,,,,0.0,,,,
CCOc1ccc2nc(C(C)O)[nH]c2c1,CID2972662,,0.0,,0.0,,,,,,0.0,,0.0,,,,,
Cc1nc2c(F)c(F)c(C(F)(F)F)c(F)c2[nH]1,CID658459,,,,,,,,,0.0,,,,,,,,
CCCCCn1c(CNC(=O)CCC)nc2ccccc21,CID2973471,0.0,0.0,,,,,,,,,,,,,,0.0,
CCCC(=O)NCCc1nc2ccccc2n1CCC,CID3640693,,,,,,,,,,,,,,,,,0.0
Cc1nc2cc(O)ccc2n1C,CID658535,,,,0.0,,,,0.0,,,,0.0,,0.0,,,
CCCC(=O)NC(C)c1nc2ccccc2n1C,CID3297038,,,,,,,,0.0,,,,,,,,0.0,
C=CCn1c(CNC(=O)CCC)nc2ccccc21,CID2974281,,,,0.0,,,,0.0,,,,0.0,,,,0.0,
CCCCC(NC(C)=O)c1nc2ccccc2n1CCC,CID3241746,,,,,,,,,,,,,,,,,0.0
CCCCn1c(CNC(=O)C(C)(C)C)nc2ccccc21,CID4343836,,0.0,,,,,,0.0,,,,,0.0,,,0.0,
CC(=O)Nc1ccc2c(c1)ncn2C,CID965364,,,,,,,,,,,,0.0,,,,,
CC(=O)/N=C(\N)Sc1nc2ccccc2[nH]1,CID658781,,,,,,,,,,,,,,0.0,,,
Cc1cc2ncn(S(=O)(=O)N(C)C)c2cc1C,CID742776,,,,,,,,,,,0.0,,,,,,
Cn1c(CCNC(=O)C(C)(C)C)nc2ccccc21,CID751267,,,0.0,,,,,,,0.0,0.0,,,,,,
CCCC(=O)NCCc1nc2ccccc2n1C,CID751265,,,,,,,,,,,0.0,,,,,0.0,
COc1ccc2nc(SCC(=O)NC(C)(C)C)[nH]c2c1,CID847111,,,0.0,,,,0.0,,,,,,,,,,
CC(C)C(=O)NCCc1nc2ccccc2n1C,CID955338,,,,0.0,,,0.0,,,,,0.0,0.0,,0.0,,
C=C(C)Cn1c(CCCNC(=O)CCC)nc2ccccc21,CID3240729,,,,,,,,,,,,,,,,0.0,
CCCn1c(NCCO)nc2ccccc21,CID2849631,,,,,,,,,,,,0.0,,,,,
CCNC(=O)NC(=O)COC(=O)CCCSc1nc2ccccc2[nH]1,CID2117063,,,,,,,0.0,,,,,,,,,,
CC(C)CCn1c(CCCO)nc2ccccc21,CID2891862,,,,,,,,,,,,0.0,,,,,
CCCn1c(N)nc2ccccc21,CID799602,,,,,,,,,,,,0.0,,,,,
C=C(C)Cn1c(CCCNC(=O)C(C)(C)C)nc2ccccc21,CID3238701,,,,,,,0.0,,,,,0.0,,,,,
CCCC(=O)NCCCc1nc2ccccc2n1CCC,CID3241188,,,,,,0.0,,,,,,0.0,,,,,
CCSc1nc2ccccc2n1CC(N)=O,CID671018,,,0.0,0.0,,,0.0,,,,,,,,,,
C/C(N)=C(/C#N)C(=O)CSc1nc2ccccc2[nH]1,CID5970670,,,,,,,,,,,,0.0,,,,,
COc1ccc2nc(C(C)O)[nH]c2c1,CID300113,,,,,,,,,,0.0,,0.0,,,,,
CCC(=O)NCCc1nc2ccccc2n1CC,CID751286,,,,,,,,,,0.0,,,,,,,
CCCCn1c(S(=O)(=O)O)nc2ccccc21,CID2772786,,,,,,,,0.0,,,,,,,,,
CCCCn1c(CNC(=O)CC)nc2ccccc21,CID3712377,,,0.0,,,,0.0,,,,,,0.0,,,0.0,
CCOC(=O)CCc1nc2ccccc2[nH]1,CID228135,,,,,,,0.0,,,,,,,,,0.0,
Cc1nc2cc(CO)ccc2n1C,CID2998315,,,,0.0,,,,,,,,,,,,,
COCCn1cnc2cc(C)c(C)cc21,CID2130269,,,0.0,,,,,,,,,,,,,0.0,
CCOc1ccc2[nH]c(S(=O)(=O)CC)nc2c1Cl,CID977103,,,,0.0,,,,,,0.0,,,0.0,,,,
Cc1cc2c(ncn2C(C)C)c(N)c1C,CID1476293,,,,,,,,,,,,0.0,,,,,
C=C(C)Cn1c(CCNC(=O)C(C)(C)C)nc2ccccc21,CID3243594,,0.0,,,,,,,,,0.0,,,,,,
CCCCCn1c(CCNC(=O)CCC)nc2ccccc21,CID5050310,,,,,,,0.0,,,,,,,,,,
CCC(CC)NC(=O)c1ccc2nc[nH]c2c1,CID2100119,,,,,,,,,,,,0.0,,,,,
CCCCCn1c(S(=O)(=O)O)nc2ccccc21,CID3235715,,,,0.0,,,,,,,,,,,,,
CCCC(=O)NCCCc1nc2ccccc2n1C(C)C,CID5310119,,,,,,,,,,,,,,,0.0,,
Cc1nc2ccc(C(=O)O)cc2[nH]1,CID1132609,,,,,,0.0,,,,,,0.0,,,,,
CCN(CC)S(=O)(=O)c1ccc2nc(CCl)[nH]c2c1,CID2393609,,,,,,,,,,,,,,0.0,,,
CCCC(=O)NC(C)c1nc2ccccc2n1CC,CID4686479,,,,0.0,,,,,,0.0,,,,,,,
CC(C)CCSc1nc2ccccc2[nH]1,CID713234,,,,,,0.0,,,,,,,,,,,
CCCc1nc2ccccc2n1CCOC,CID2936542,,,,,,,,,,,0.0,0.0,,,,,
CCCSc1ccc2nc(NC(=O)OC)[nH]c2c1,CID2082,,,0.0,0.0,,,,,,,,,0.0,,,,
Cc1ccc2nc(NCCCO)[nH]c2c1,CID2053602,,,,,,,,,,,0.0,,,,,,
CCc1nc2ccccc2[nH]1,CID15807,,,,,,,,,0.0,,,0.0,,,,,
CCOc1ccc2nc(NCCCO)[nH]c2c1,CID2063661,,,,,,,,,,,,0.0,,,,,
Cc1ccc2nc(C(F)OC(F)(F)F)[nH]c2c1,CID2832697,,,,,,,,,0.0,,,,,,,,0.0
COCCn1c(COC)nc2ccccc21,CID2947589,,,,,,,0.0,,,,,,,,,,
O=C(O)CSc1nc2ccc(Cl)cc2[nH]1,CID225102,,,,,,,,,,0.0,,,,,,,0.0
CC(=O)NCCc1nc2ccccc2[nH]1,CID751339,,,,0.0,,,0.0,0.0,,0.0,,0.0,,,,,
CCSc1nc2ccccc2n1CCC(=O)O,CID647924,,,,,,,0.0,0.0,,,,0.0,,,,,
OCCNc1nc2ccc(Cl)cc2[nH]1,CID2251261,,,,,,,,,,,,,,,,0.0,
O=C(O)CCSc1nc2ccc(Br)cc2[nH]1,CID649674,,,,,,,,,0.0,,,0.0,,,,0.0,
CC(C)N(Cc1nc2ccccc2[nH]1)C(C)C,CID974823,,,,0.0,,,0.0,,,,,,,,,0.0,0.0
CCCC(=O)NCCCc1nc2ccccc2n1C,CID3339494,,,,,,,,,,,0.0,,,,,0.0,
CCCCn1c(CCNC(=O)CC)nc2ccccc21,CID2975922,,,,,,,,0.0,,,,,0.0,,,0.0,
CC(Sc1nc2ccc(Br)cc2[nH]1)C(=O)O,CID2772616,,,,,,,,,0.0,,,,,0.0,0.0,,
C=C(C)Cn1c(CCNC(=O)CCC)nc2ccccc21,CID3245580,,,0.0,,,,,,,,,,,,,0.0,
COCCOCCn1c(CCCO)nc2ccccc21,CID2947583,,0.0,,,,,,,,,,,0.0,,,,
CC(C)Sc1nc2ccc(Br)cc2[nH]1,CID740253,,,,,,,,,,,,,,0.0,0.0,,
CCCCOC(=O)n1c(SCC(=O)N(C)C)nc2ccccc21,CID657991,,,,0.0,,,0.0,0.0,,,,,,,,,
O=C(O)c1cccc2[nH]c(C(F)(F)F)nc12,CID654080,,,,0.0,,,,,0.0,,,,,,,,
CCCC(=O)NCCCc1nc2ccccc2[nH]1,CID2156928,,,,0.0,,,,,,,,,,,,,
CCNC(=O)NC(=O)CSc1nc2ccccc2n1CC(C)C,CID4814222,,,,,,,,,,,,,,0.0,,,
Cc1cc2nc(SC(C)C(=O)O)[nH]c2cc1C,CID650588,,0.0,0.0,0.0,0.0,,,,,,,,0.0,,,,
Cc1ccc2c(c1)nc(NCCCO)n2C,CID2901298,,,,,,,,,,,,0.0,,,,,
CCCCCn1c(CNC(C)=O)nc2ccccc21,CID3241300,,,,,,,,,,0.0,,,,,,,
CCC(=O)NC(C)c1nc2ccccc2n1C,CID3238854,,0.0,,,,,,,,,,,,,,0.0,
CC(C)n1c(CCCO)nc2ccccc21,CID2892111,,,,,,,,0.0,,,,,,,,0.0,
CC(C)Sc1nc2ccccc2n1CC(N)=O,CID713701,,,,,,,,,,,,,0.0,,,,
CSc1nc2ccc(Cl)cc2[nH]1,CID351917,,,,,,,,,,0.0,,,,,0.0,,
CCN(CC)CCNc1nc2ccccc2n1C,CID923822,,,,0.0,,,,,,,,0.0,,,0.0,,
CCCCn1c(SCC(=O)O)nc2ccccc21,CID2772453,,,,,,,0.0,0.0,,,,0.0,,,,,0.0
CCOC(=O)CSc1nc2ccccc2n1CC(=O)N(C(C)C)C(C)C,CID650284,,,0.0,,,,,0.0,,,,,,,,,
CCSc1nc2ccccc2n1CC(=O)OC,CID794096,,,,,,,0.0,,,,,,0.0,,,,
CCOCCCNc1nc2ccccc2[nH]1,CID2020399,,,0.0,0.0,,,,0.0,,0.0,,0.0,0.0,,,,
C=C(Br)Cn1c(CCC)nc2ccccc21,CID877715,0.0,,,,,,,,,,,0.0,,,,0.0,0.0
COc1ccc2nc(SCC(=O)NC(C)C)[nH]c2c1,CID2610597,,,,,,,0.0,,,,,,,,,0.0,
CCOC(=O)n1c(SCC(=O)N(CC)CC)nc2ccccc21,CID659571,,,,,,,0.0,0.0,,,,,,,,0.0,
CC(NC(=O)C(C)(C)C)c1nc2ccccc2n1C,CID3239394,,,,,,,0.0,,,,,,,,,,
CCOC(=O)CSc1nc2ccccc2n1CC(=O)NC(C)(C)C,CID651761,,,,,,,,0.0,,,,,,,,,
CCCCn1c(C(C)NC(=O)CC)nc2ccccc21,CID3532959,,0.0,0.0,,,,,,,,,,,,,0.0,0.0
CCn1c(C(C)NC(C)=O)nc2ccccc21,CID2975259,,,,,,,,,,0.0,,0.0,,,,,
CCC(=O)Nc1nc2ccccc2n1CCN(C)C,CID658339,,0.0,,0.0,,,,,,,,0.0,,,,,
CC(C)(C)c1nc2ccccc2[nH]1,CID32366,,,,,,0.0,,,,,,0.0,,,,,
CCCCC(NC(C)=O)c1nc2ccccc2n1CCCC,CID3237296,,,,,,,,,,0.0,,,,,,,
CCOCCn1c(C(C)O)nc2ccccc21,CID3155709,,,,,,,,,,,,0.0,,,,,
Cc1nc2ccccc2n1S(=O)(=O)N(C)C,CID3240937,,0.0,,0.0,,,,,,,,,,,,,
COC(=O)c1ccc2c(c1)nc(C)n2CCO,CID609104,,,,,,,,,,0.0,,,0.0,,,,
CCCCn1c(CCNC(=O)CCC)nc2ccccc21,CID5086459,,,0.0,,,,,,,,0.0,,,,,0.0,
C=C(Br)Cn1c(CCCC)nc2ccccc21,CID659544,0.0,,,,,,,,,,0.0,,,,,,0.0
CCOC(=O)C(=CNc1cccc(N)n1)C(=O)OCC,CID296041,,,,,,,,,,,,0.0,,,,,
CC(NC(=O)Nc1cccnc1)(C(F)(F)F)C(F)(F)F,CID658923,,,,,,,,,0.0,,,,,,,,0.0
CCCNC(=O)NCCc1ccncc1,CID654908,,,,,,,0.0,0.0,,,,,,,,,
O=C(NCC(F)(F)F)Nc1cccnc1,CID935459,,,,,,,,,0.0,,,,,,,,
Cc1cc(C)c(C#N)c(SC(F)F)n1,CID2767650,,,,,,,,,,0.0,,,,,,,
CC(C)CC(Nc1nc(Cl)ccc1[N+](=O)[O-])C(=O)O,CID4615864,,,,,,,,,,,,0.0,,,,,
CCOC(=O)CC(=O)CSc1nc(C)cc(C)c1C#N,CID2062261,,,,,,,,,,,,0.0,,,,,
CCOC(=O)CNC(=O)CSc1nc(C)cc(C)c1C#N,CID660162,,0.0,0.0,,,,,,,,,,,0.0,,,
O=C(NCC(F)(F)F)Nc1ccccn1,CID934533,,,,,,,,,0.0,,,,,,,,
CC(C)(C)NC(=S)NCc1cccnc1,CID3270116,,,,,,,,,,,,0.0,,,,,
CON/C=N/C(=O)NOCc1ncc(C(F)(F)F)cc1Cl,CID3773883,,,,,,,,,0.0,,,,,,,,
CCOC(=O)CSc1nc(N)c(C#N)c(CC(C)C)c1C#N,CID655212,,0.0,,,,,,0.0,,,,,,,,0.0,
CCOC(=O)NC(=O)CSc1ccccn1,CID2216794,,,,0.0,,,,,,,,,,0.0,,,
Cc1cc(C)c(C#N)c(SCC(=O)C(C)(C)C)n1,CID743792,,,,,,,,,,,,0.0,,,,,
COC(=O)c1ccc(C(=O)OC)nc1,CID234911,,,,,,,0.0,0.0,,,,,,,,,
CCOC(=O)c1cc(NC(=O)N(C(C)C)C(C)C)c(C)nc1C,CID2948213,,,,,,,,,,,0.0,,,,,,
CC(C)C(=O)Nc1ncc(C(F)(F)F)cc1Cl,CID2333297,,,,,,,,,0.0,,,,,,,,
CCCC(=O)Nc1ccc(Br)cn1,CID876084,,,,,,,,,,,,,,0.0,,,
CC(NC(=O)c1ccncc1)C(C)(C)C,CID2971525,,,,,,,,,,0.0,,,,,,,
CCc1c(C)nc(SCC(N)=O)c(C#N)c1C,CID750134,,,,,,,,,,,0.0,,,,,,
CCOc1nc(C)cc(COC)c1C(N)=O,CID1508121,,,,,,,,,,,,,,0.0,,,
CCOC(=O)CCCNC(=O)c1cncc(Br)c1,CID2277148,,,,,,,,,,,,0.0,,,,,0.0
Cc1cccc(NC(=O)NCC(F)(F)F)n1,CID934768,,,,,,,,,0.0,,,,,,,,
C=CCSc1ncccc1C(=O)O,CID1810568,,,0.0,,,,,,,,,,,,,,
O=C(O)c1cc(Br)ccn1,CID735150,,,,,,,,,,,,,,,0.0,,
CC(C)OCCCNC(=O)c1ccncc1,CID2225158,,,,,,,,0.0,,0.0,,,0.0,,,,
COC(=O)C(CCSC)NC(=O)NCc1ccccn1,CID663881,,,0.0,0.0,,,0.0,0.0,,,,,,,,,
CCCNc1ncccc1C(N)=O,CID651580,,,,,,,0.0,,,,,,,,,0.0,
CCC(=O)NC(Nc1cc(C)cc(C)n1)(C(F)(F)F)C(F)(F)F,CID1208092,,,,,,,,,0.0,,,,,,,,
CC(C)Cc1ccc(C#N)c(SCC(N)=O)n1,CID872830,,,,0.0,,,,,,,,,0.0,,,,
CCNC(=O)NC(=O)C(C)OC(=O)c1cccnc1SC,CID2998051,,,,,,,0.0,,0.0,,,,,,,,
CCCCCCCCC(=O)N/N=C/c1ccccn1,CID2171649,,,,,,0.0,,,,,,,,,,,
CC(C)NC(=O)NC(=O)CSc1ncc(C(F)(F)F)cc1Cl,CID2484257,,,,,,,,,,,,,,,,,0.0
CCC(C)NC(=O)C(=O)NCc1ccncc1,CID3149552,,,,,,,,,,,,0.0,,,,,
CC(C)CNC(=O)C(=O)NCc1ccccn1,CID2251007,,,,,,,,,,,,,,0.0,,,
CC(=O)c1cc(C#N)c(SCC(=O)C(C)(C)C)nc1C,CID657971,,,,0.0,,,,0.0,,,,,,,,,
COc1cc(C)c(C#N)c(OC)n1,CID334856,,,0.0,,,,0.0,0.0,,,,0.0,0.0,,,,
CC(=O)c1cc(C#N)c(SCC(=O)OC(C)C)nc1C,CID2312770,,0.0,0.0,0.0,,,,,,,,,,,,,
CCC(C)C(NC(=O)NCc1ccccn1)C(=O)OC,CID9551668,,,,,,0.0,,,,,,,,,,,
CC(C)OCC(O)CSc1ccccn1,CID4987134,,,0.0,,0.0,,,,,,,,,,,,
CCCCCCCCC(=O)N/N=C(\C)c1cccnc1,CID5136280,,,,,,,,,,0.0,,,,,,,
CCOC(=O)CSc1nccc(N(C)C)c1C#N,CID900091,,,,0.0,,,,,,,,,,,,,
CCOC(=O)NC(=O)CSc1nc(C)cc(C(F)(F)F)c1C#N,CID647914,,,,,0.0,,,,,0.0,,,,,,,0.0
CNC(=O)Nc1cccc(NC(=O)NC)n1,CID661800,,0.0,,0.0,,,,,,,,,,,,,
O=C(NCc1cccnc1)NC(C(F)(F)F)C(F)(F)F,CID659813,,,,,,,,,0.0,,,,,,,,0.0
O=C(O)CC/C(=N\Nc1ncc(C(F)(F)F)cc1Cl)C(=O)O,CID737814,,,,,,,,,,,,,,0.0,,,
CCS(=O)(=O)CCSc1nc(C)cc(C)c1C#N,CID894238,,,0.0,,,,,,,0.0,,,,,,,
CCOC(=O)C(C#N)c1ccccn1,CID2842210,,,,,,,0.0,,,0.0,,,,,,,
CCOC(=O)NC(Nc1ccc(C)cn1)(C(F)(F)F)C(F)(F)F,CID2264266,,,,,,,,,0.0,,,,,,,,
O=C(NCCNC(=O)C(F)(F)F)c1ccncc1,CID665204,,,,,,,,,0.0,0.0,,,,,,,0.0
CCOC(=O)CCSc1nc(C(C)(C)C)cc(C(F)(F)F)c1C#N,CID1086494,,,,,,,,,,,,0.0,,,,,
O=C(O)/C=C\C(=O)NCc1cccnc1,CID1550899,,,,,,,,,,,,,,0.0,,,
Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)NC(C)(C)C)n1,CID728675,0.0,,,,0.0,,,0.0,,,,,,,,0.0,
CCOC(=O)c1cc(NC(=O)OC)c(C)nc1C,CID746249,,,0.0,,,,,,,,,,,,,,
NNC(=O)c1ccncc1,CID3767,,,,0.0,,,,0.0,,,,,0.0,,,,
CC(C)C(Nc1nc(Cl)ccc1[N+](=O)[O-])C(=O)O,CID3798679,,,,,,,,,,0.0,,,,,,,
CCCc1nc(N)c(C#N)c(N)c1C#N,CID659074,,0.0,,,,,,0.0,,,,,0.0,,,,
Cc1cc(C)c(C#N)c(SCC(=O)NC(C)(C)C)n1,CID713770,,,,,,0.0,,,,,,,,,,,
CCc1cc(C)c(O)c(CC)n1,CID910447,,,,,,0.0,,,,,,,,,,,
O=C(O)c1ccnc(C(=O)O)c1,CID10365,,,,,,,,0.0,,,,,,,,,
CC(=O)NCCNc1ccc([N+](=O)[O-])cn1,CID2901081,,,,,,,,,,,,,,,0.0,,
Cc1ccc(CCSCC(=O)O)cn1,CID1908695,,,,,,,0.0,,,,,,,,,,
O=C(/C=N/O)NCc1ccncc1,CID6411267,,,,,,,,,,,,,0.0,,,,
CCOC(=O)CSc1nc(C)cc(C)c1C#N,CID684024,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1c(C(C#N)C#N)cc(C)nc1C,CID658661,,0.0,,0.0,,0.0,,,,,,,,,,,
CCCCC(=O)Nc1ccc(Cl)cn1,CID654702,,0.0,,0.0,,,,,,0.0,,,,,,,0.0
CC(=O)NCCOC(=O)Nc1ccncc1,CID1827921,,,,,,,,,,,,0.0,,,,,
CCOC(=O)CCSc1nc(C)cc(C(F)(F)F)c1C#N,CID973704,,,,,0.0,,,0.0,,,,,,,,,0.0
CCC(=O)NC(Nc1cccc(C)n1)(C(F)(F)F)C(F)(F)F,CID658503,,,,,,,,,0.0,,,,,,,,
COC(=O)c1ccc(SC)cn1,CID901956,,,,,,,,,,,,,,,0.0,,
COC(=O)c1c(C)c(C)nc(N)c1C#N,CID605487,,,,,,,,,,,,0.0,,,,,
O=C(O)CCC(=O)Nc1ccc(Br)cn1,CID647833,,,,,,,,,0.0,,,0.0,,,,,
CC(C)(C)C(=O)Nc1ncc(C(F)(F)F)cc1Cl,CID885766,,,,,,,,,,,,,,,,,0.0
CCC(CC)C(=O)Nc1ccncc1,CID824386,,,,,,,,,,,,,,,0.0,,
CCC(=O)NC(Nc1cc(C)ccn1)(C(F)(F)F)C(F)(F)F,CID703597,,,,,,,,,0.0,,,,,,,,
CCCCC(CC)C(=O)Nc1ccc(Cl)cn1,CID645923,0.0,0.0,0.0,0.0,,,0.0,,,0.0,,,,,,0.0,0.0
CCCSc1nc(C)cc(C)c1C(N)=O,CID2906254,,,,,,,,,,,,,,0.0,,,
CC(NC(=O)NCc1cccnc1)(C(F)(F)F)C(F)(F)F,CID659564,,,,,,,,,0.0,,,,,,,,0.0
COCc1cc(C)nc(N)c1C#N,CID659732,,,,0.0,,,,,,,,,,,,,
COC(=O)C(NC(C)=O)(Nc1ccccn1)C(F)(F)F,CID605295,,,,0.0,,,,,0.0,0.0,,,,,,,0.0
O=C(O)CCCC(=O)NCc1ccccn1,CID2169470,,,,,,,,0.0,,,,,,,,,
O=C(O)CCCCCNC(=O)c1ccncc1,CID3235961,,,0.0,,,,,,,0.0,0.0,,,,,,
O=C(O)CSCCc1ccccn1,CID2058390,,0.0,,,,,,,,,,,0.0,,,,
Cc1cc(C(=O)OCCO)c(C#N)c(N)n1,CID659803,,0.0,,0.0,,,,0.0,,,,,,,,,
CCOCC(O)CS(=O)(=O)c1ccccn1,CID2842752,,,,0.0,,,,,,,,,0.0,,,,0.0
CC(=O)NCCOC(=O)Nc1cccnc1,CID1965494,,0.0,,0.0,,,,,0.0,,,0.0,,,,,
CCOC(=O)CCc1c(C)nc(SCC(=O)O)c(C#N)c1C,CID650685,,,,,,,,0.0,,,,0.0,,,,,
COC(=O)CSc1nc(C)c(C(C)=O)cc1C#N,CID660422,,,,0.0,,,,0.0,,,,,,,,,
C=CCC(=O)OCC(=O)Nc1ccc(Cl)cn1,CID2081161,,,,,,,,,,0.0,,,,,,,
CC(=O)NCc1cccc(CNC(C)=O)n1,CID49857,,,,0.0,,,,,,,,0.0,,,,,
O=C(O)CCCC(=O)NCCc1ccncc1,CID652841,,,,,,,0.0,0.0,,,,,,,,,
CC(=O)c1cc(C#N)c(SCC(=O)OC(C)(C)C)nc1C,CID728682,,,0.0,0.0,,,,,,,,,,,,,
O=C(O)CCNC(=O)c1cncc(Br)c1,CID743143,,,,,,,,,0.0,,,0.0,,,,,
CCOC(=O)Nc1cc(C(=O)OCC)c(C)nc1C,CID746257,,,,,,0.0,,,,,,,,,,0.0,0.0
Cc1cc(C)nc(NC(=O)CCCC(=O)O)c1,CID756904,,,0.0,0.0,,,,0.0,,0.0,,,0.0,0.0,,,
COC(=O)c1cccnc1NC(=S)NC(C)C,CID4275504,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)c(C#N)c(SCC(=O)CC(=O)OC(C)C)n1,CID656090,,,,0.0,,,,,,,,,0.0,,,,
CCC(NC(=O)NCc1cccnc1)(C(F)(F)F)C(F)(F)F,CID934744,,,,,,,,,0.0,,,,,,,,0.0
CC(C)CN(CC(C)C)c1nc(N)c(C#N)c(CC#N)c1C#N,CID2998008,0.0,,0.0,,,,,,,,,,,,,,
CCCOC(=O)CSc1nc(N)c(C#N)c(CC)c1C#N,CID658551,,,,,,,,,,,,,,,,0.0,
COC(=O)CC(=O)CSc1nc(C)cc(C)c1C#N,CID645576,,,0.0,,,,,0.0,,,,0.0,,,,,
CCOC(=O)/C(C#N)=C(\N)C(C)C(=O)Nc1ccccn1,CID5389269,,,,,,,,,,,,,,,,0.0,
CCCCC(=O)Nc1ccc(Br)cn1,CID2292858,,,,,,,,,,,,0.0,,,,,
O=C(/C=N/O)Nc1cccnc1,CID6399197,,,,,,,,,,,,,0.0,0.0,,,
C/C(N)=C(/C#N)C(=O)COC(=O)c1ccncc1,CID5742552,,,0.0,,,,,,,,,,,,,,
CC(C)(C)NC(=O)NC(=O)COc1ccccn1,CID2117178,,0.0,,0.0,,,,,,,,0.0,,,,,
CCCCCC(=O)NC(=S)Nc1ccc(Cl)cn1,CID1718151,,,,,,,,,,,,,,0.0,,,
CCCC(CCC)C(=O)Nc1ccncc1,CID888114,,0.0,,,,,0.0,,,,,0.0,,0.0,,,
COC(=O)CSc1nc(C)cc(C(F)(F)F)c1C#N,CID912953,,,,,,,,,,,,,,0.0,,,
CCCCNC(=O)Nc1ccc(Br)cn1,CID2103155,,,,,,,,,0.0,,,,,,,,0.0
CCOC(=O)c1cccc(C(=O)OCC)n1,CID254510,,,,,,,,,,,0.0,0.0,,,,,
C=CCNC(=O)c1ccncc1,CID2307293,,0.0,,,,,,,,,,,,,,,
CC(C)N(C(C)C)S(=O)(=O)c1ccc(Cl)nc1,CID2433231,,,,,,,,,,,,,,0.0,0.0,,
CC(SCCc1ccccn1)C(=O)O,CID2827171,,,,0.0,,,,,,,,,,,,,
C=CCNS(=O)(=O)c1nc(C)c(Cl)c(C)c1C#N,CID544979,,0.0,0.0,,,,,,,,,,,,,0.0,
CCCCS(=O)(=O)Nc1ccc(C)cn1,CID2094153,,,,,,,,,,,,,,,0.0,,
CCN(CC)S(=O)(=O)c1ccc(OC(C)C)nc1,CID829842,,0.0,,0.0,,,,,,,,,0.0,,,,0.0
C/C(N)=C(\C#N)C(=O)NCc1ccccn1,CID658334,,0.0,,,,,,,,,,0.0,0.0,,,,
O=C(O)CSc1ccccn1,CID654661,,0.0,,,,,,,,,,,0.0,,,0.0,
CC(=O)c1cc(C#N)c(SCC(=O)O)nc1C,CID2526136,,,,,,,,,,,,0.0,,,,,
CCOC(=O)C(O)(NC(=O)c1cccnc1)C(F)(F)F,CID571582,,,,,,,0.0,,0.0,,,,,,,,0.0
CC(=O)OCCNC(=O)c1cccnc1,CID134230,,,,,,0.0,,,,,,0.0,,,,,
CCN(CC)c1nc(C)c(C(C)=O)cc1C#N,CID1471730,,,,,,,,,,,0.0,,,,,,
CC(C)OC(=O)c1cccc(C(=O)O)n1,CID3241921,,,0.0,,,,,,,,,,,,,,
O=C(O)CCCNC(=O)c1cncc(Br)c1,CID1893245,0.0,,,,,,0.0,,,,,0.0,,,,,0.0
CC(C)=CCCC(C)CN(C)CCc1ccccn1,CID3613648,,,,0.0,,,,,,,,,0.0,,,,
CC(C)=CC(=O)OCC(=O)Nc1nc(C)c(Cl)cc1Cl,CID2083783,,,,,,,,,,0.0,,,,,,,
CCCCCCCC(=O)N/N=C(\C)c1cccnc1,CID4049228,,,,,,,,,,,0.0,,,,0.0,,
COC(=O)CSc1nc(N)c(C#N)c(C(C)C)c1C#N,CID658599,,,0.0,,,,,,,,,0.0,0.0,,,,
CC(C)CCSc1nc(N)c(C#N)cc1C#N,CID2214529,,0.0,,0.0,,,,,,,,,,,,,
CCCCC(=O)NC(Nc1ccc(C)cn1)(C(=O)OCC)C(F)(F)F,CID659845,,,,0.0,,,,,0.0,,,,,,,,0.0
Cc1cc(C)c(S(=O)(=O)O)c(C)n1,CID658655,,,0.0,,,,,,,,,,,,,,
O=C(/C=N/O)NCc1cccnc1,CID6400906,,,,,,,,,,,,,0.0,,,,
COC(=O)c1cc(C)nc(N)c1C#N,CID921274,,,,,,,,,,,,0.0,,,,,
CCOC(=O)C(C)(C)C(=O)C(C)(C)C(O)c1ccccn1,CID663265,,,,,,,0.0,0.0,,,,,0.0,,,,
CSc1ncccc1C(=O)OCC(=O)NC(=O)NCCC(C)C,CID2128137,,,,0.0,,,,0.0,0.0,,,,,,,0.0,
CSc1nc(C)c(Cl)c(C)c1C#N,CID729410,,0.0,,,,,,,,,,,,,,,0.0
CCCCSc1nc(C)c(C(C)=O)cc1C#N,CID2059122,,,0.0,,,,,,,,,,,,,,
C=CCNC(=O)NC(=O)COC(=O)c1cccnc1SC,CID2079481,,,,,,,,,0.0,,,,,,,,
O=C(O)CCCCCNCc1ccncc1,CID3240263,,,,,,,,0.0,,,,,,,,,0.0
COC(=O)C(C)(C(=O)OC)c1ccc([N+](=O)[O-])cn1,CID3810882,,,,,,0.0,,,,,,,,,,,
CC(=O)C(C(C)=O)C(NC(=O)c1cccnc1)(C(F)(F)F)C(F)(F)F,CID571481,,,,,,,,,0.0,,,,,,,,
CCOC(=O)C(NC(=O)Nc1cccc(C)n1)(OCC(F)(F)F)C(F)(F)F,CID3243864,,,,,,,,,,,,,,,,,0.0
CCN(CC)S(=O)(=O)c1ccc(Cl)nc1,CID2433226,,,,,,,,,,,,,,0.0,,,
CCOC(=O)NC(Nc1cc(C)ccn1)(C(F)(F)F)C(F)(F)F,CID1839930,,,,,,,,,0.0,,,,,,,,
CCC(C)NC(=S)NNC(=O)c1ccncc1,CID2954150,,,,,,,,,,,,,,,0.0,,
C/C(N)=C(\C#N)C(=O)NCCc1ccccn1,CID658344,,,,,,,,,,,,0.0,0.0,,,,
C/C(=N\O)C(=O)NCc1ccncc1,CID6411266,,,0.0,,,,,0.0,,,,,0.0,0.0,,,
CCOC(=O)c1cc(C#N)c(N)nc1C,CID663948,,0.0,,,,0.0,0.0,,,,,,0.0,,,,0.0
CCCNC(=O)NC(=O)CSc1ncc(C(F)(F)F)cc1Cl,CID2484307,,,,,,,,,,0.0,,,,,,,
COC(=O)CSc1nc(N)c(C#N)c(CC(C)C)c1C#N,CID915536,,,,,,,,,,,,,,,0.0,,
COCc1cc(C)nc(NCCO)c1C#N,CID1903355,,,,,,,,,,,,0.0,,,,,
CSc1nc(C)cc(C)c1C(N)=O,CID601656,,,,,,,,,,,,,,0.0,,,
CCCCCCCC(=O)N/N=C/c1cccnc1,CID2170871,,,,,,0.0,,,,,,,,,,,
CNc1nc(C)c(C#N)cc1C(C)=O,CID658579,,,,0.0,,,0.0,0.0,,,,0.0,,,,,
O=C(NCCCO)C(=O)NCc1ccccn1,CID2849922,,,,,,,,,,,,,,0.0,,,
C=CCN(CC=C)C(=O)c1ccncc1,CID897377,,,,,,,,,,,,,,,,0.0,
CC(=O)c1cc(C#N)c(NCCCN(C)C)nc1C,CID2769089,,,,,,,,,,,,,,0.0,,,
CCCCC(=O)Nc1ccc(NC(=O)C(C)C)cn1,CID652780,,0.0,,,,,,,,,,0.0,,,,,0.0
CSCCC(NC(=O)c1cncc(Br)c1)C(=O)O,CID3136476,0.0,,,,,,,,0.0,,,,,,,,
CC(=O)c1c(N(C)C)ccnc1C(F)(F)F,CID723672,,,,,,,,,0.0,,,,,,,,
COCCCNC(=S)NNC(=O)c1cccnc1,CID2209102,,,,,,,,,,0.0,,,,,,,
CCOc1ccnc(OCC)c1Br,CID824659,,,,,,,,,,,,,,0.0,,,
C=CCNc1nc(C)c(C(C)=O)cc1C#N,CID2767395,,,,,,,,,,,,0.0,,,,,
COC(=O)C(NC(C)=O)(Nc1ccc(Br)cn1)C(F)(F)F,CID540880,0.0,,,,,,,,,,,,,,,,
COc1cc(C)c(C(N)=O)c(OC)n1,CID707648,,,,0.0,,,,,,,,,,,,,
CCC(NC(=O)Nc1ncccc1C)(C(F)(F)F)C(F)(F)F,CID659678,,,,,,,,,0.0,,,,,,,,0.0
CC(C)=CC(=O)OCC(=O)Nc1ccc(Cl)cn1,CID2086194,,,,,,,,,,0.0,,,,0.0,,,
O=C(NCCc1ccncc1)C(F)(F)F,CID735061,,,,0.0,,,0.0,,0.0,,,,,,,,0.0
CCCC(C)C(=O)Nc1ccc(Cl)cn1,CID2889757,0.0,,,,,,0.0,,,0.0,,,,,,0.0,
CCCCC(=O)Nc1ccc(NC(=O)CCCC)nc1,CID649725,,,,0.0,,,0.0,0.0,,,,0.0,,,,,
CC(C)(C)NC(=O)C(=O)NCc1ccncc1,CID3117745,,,,,,,,,,,,,,,0.0,,
CC(=O)Nc1cccc(NC(C)=O)n1,CID95139,,,,,,,,,,,,0.0,,,0.0,,
CCOC(=O)CSc1nc(C)c(C(C)=O)cc1C#N,CID658166,,,0.0,0.0,,,,,,,,0.0,,,,,
CCCCCC(=O)Nc1ccc(Cl)cn1,CID3241720,,,0.0,0.0,,,,0.0,,0.0,,,,,,,0.0
CN(C)CCCNCCCNC(=O)c1ccccn1,CID653482,,0.0,,,,,,,,,,0.0,,,,,
CSc1ncccc1C(=O)OCC(=O)NC(N)=O,CID2468722,,,,,,,,,,,,0.0,,,,,
CC(C)CNC(=O)COC(=O)c1cncc(Br)c1,CID2433495,,,,,,,,,0.0,,,0.0,,,,,
CC(=O)c1cc(C#N)c(SCCC(C)C)nc1C,CID972528,,,,,,,,,,,0.0,,0.0,,,,
CCSc1nc(C)c(CC)c(C)c1C(N)=O,CID975238,,,,,0.0,,0.0,,,,,,,,,,0.0
CCOC(=O)CSc1nc(C(C)(C)C)cc(C(F)(F)F)c1C#N,CID949489,,,,,,,,,,,,0.0,,,,,
CCc1c(C)nc(SCC(=O)CC(=O)OC(C)C)c(C#N)c1C,CID647951,0.0,,,0.0,,,,,,,,,,,,,
CCCc1cc(C(N)=S)ccn1,CID666418,,,,,0.0,,,,,,,,,,,,
CCCCCCC(=O)Nc1ccc(Cl)cn1,CID2225198,,0.0,0.0,,,,,,,0.0,,,,,,0.0,
CCNc1nc(C)cc(COC)c1C#N,CID697564,,0.0,0.0,,,,,,,,,,0.0,,,,0.0
COCc1cc(C)nc(SC)c1C#N,CID697562,,,,,,,,,,,,,,0.0,,,
COCc1c(Br)c(C)nc(OCC(=O)O)c1C#N,CID835227,0.0,,,,,,,,0.0,,,,,,0.0,,
COC(CNC(=O)c1cccnc1)OC,CID7314123,,,,,,,,,,,,,,0.0,,,
CCSCCNC(=O)c1cncc(Br)c1,CID2200718,,,,,,,,,0.0,,,,,,,0.0,
CCOC(=O)c1cccnc1SCC(=O)NC(C)CC,CID3239603,,,,,,,,,,,,,,,,,0.0
CC(C)(C)C(=O)/C=C(\N)c1ccncc1,CID1909832,,,,,,0.0,0.0,0.0,,,,0.0,,,0.0,,
CNC(=O)c1cc2cccc(OC)c2oc1=O,CID974498,,0.0,,,,,0.0,0.0,,0.0,,,0.0,,,,
CC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1,CID875046,,,,,,,,,0.0,,,,,,,,
CCOC(=O)Nc1ccc2c(C)cc(=O)oc2c1,CID93864,,,,0.0,,,,0.0,,0.0,,,0.0,,,,
CCOC(=O)Cc1c(C)c2c(O)cc(O)cc2oc1=O,CID5381321,,,,,,,0.0,,,,,,,,,,
COC(=O)c1cc2ccccc2oc1=O,CID30553,,,,,,,,,0.0,,,,,0.0,,,
CCOC(=O)Nc1cc2c(C)cc(=O)oc2cc1C,CID646866,,,0.0,,,,,,,0.0,,,0.0,,,,
CCCC(=O)c1cc2cc(Cl)ccc2oc1=O,CID3244511,,,,,,,,,,,,,,,,,0.0
C=CCOC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1,CID2247855,,,,,,,,,0.0,,,,,0.0,,,
CCCOc1ccc2c(C)c(CC(=O)OC)c(=O)oc2c1,CID1799746,,,,,,,,0.0,0.0,,,,,0.0,,,
CCc1c(C)c2ccc(OCC(N)=O)cc2oc1=O,CID889783,,,,0.0,0.0,,,,,,,,0.0,,,,
CCC(=O)Oc1ccc2c(C)cc(=O)oc2c1C,CID879257,,,,,,,,,,,,,,0.0,,0.0,
COc1cc(OC)c2c(C)c(Cl)c(=O)oc2c1,CID1263102,,,,,,,,,,,,,0.0,,,,0.0
C=CCc1cccc2cc(C(=O)N(C)C)c(=O)oc12,CID696828,,,0.0,,,,0.0,0.0,0.0,,,,0.0,,0.0,0.0,
COc1cccc2cc(C(=O)N(C)C)c(=O)oc12,CID696829,,,,,,,0.0,0.0,,,,,,,,,
Cc1cc(=O)oc2ccc(OCC(=O)O)cc12,CID749232,,,,,,,,,,,,,,0.0,,,
CCN(CC)c1ccc2c(Cl)cc(=O)oc2c1,CID145611,,,,,,,,,,,,,,0.0,,,
CCc1cc(=O)oc2cc(OS(C)(=O)=O)ccc12,CID2292720,,,,,,,,,,,,0.0,,,,,
NC(=O)c1cc2cc(Cl)ccc2oc1=O,CID780553,,,,,,,,,,0.0,,,,,,,
O=C(O)c1cc2cc(Cl)ccc2oc1=O,CID271643,,,,,,,,,,0.0,,,,,,,
Cc1cc(OC(=O)CNC(=O)OC(C)(C)C)c2c(C)cc(=O)oc2c1,CID662377,,,0.0,0.0,,,,,,,,,,,,,0.0
CCOC(=O)CCc1c(C)c2ccc(OC(C)C(=O)OCC)c(C)c2oc1=O,CID2955775,,,0.0,,,,,,,,,,,,,,
CCOc1ccc2oc(=O)cc(C)c2c1,CID688945,,,,,,,,,0.0,,,,,,,,
COc1ccc2oc(=O)c(C(=O)O)cc2c1,CID711717,,,,,,,,,,,,,0.0,0.0,,,
CCCc1cc(=O)oc2cc(OCC(=O)N(C)C)c(Cl)cc12,CID644427,,,,,,,,,,0.0,,,,0.0,,,0.0
CCc1c(C)c2ccc(OCC(=O)OC)cc2oc1=O,CID890738,,,,,,,,,0.0,,,,,,,0.0,
CC(C)Nc1c(N)c(=O)oc2ccccc12,CID650276,,,0.0,,,,0.0,,,,,0.0,,,,,
CCC(=O)c1cc2c(C)cc(=O)oc2c(C)c1O,CID5292521,,,,,,0.0,,,,,,,,,,0.0,
CC(=O)Oc1ccc2c(C)cc(=O)oc2c1,CID366,,,,,,,,,0.0,0.0,,,,0.0,,,
COC(=O)Oc1c(Br)c(=O)oc2ccccc12,CID778746,0.0,,,,,,,,,,,0.0,,,,,0.0
CCCc1cc(=O)oc2cc(C)cc(OCC(=O)O)c12,CID662287,,,,,,0.0,,0.0,0.0,,,,,0.0,,,
CC(=O)Oc1cc(OC(C)=O)c2c(C)cc(=O)oc2c1,CID390800,,,,,,,,,,,0.0,,,0.0,0.0,,
CCc1c(C)c2cc(Cl)c(O)c(CN(C)C)c2oc1=O,CID5739939,,0.0,,,,,,,,0.0,,,,,,,
CC(=O)Oc1ccc2c(C)c(CC(C)O)c(=O)oc2c1,CID666180,,,,0.0,,0.0,,,,,,,0.0,,,,
CCCCc1cc(=O)oc2c(CN(C)C)c(O)c(Cl)cc12,CID5389677,,0.0,,,,,,,,,,,,,,,
CCN(CC)c1ccc2cc(NC(=O)CCC(=O)O)c(=O)oc2c1,CID3243384,,,,,,,,,,,0.0,,,,,,
CCc1cc(=O)oc2cc(OCC(=O)N(CC)CC)c(Cl)cc12,CID1072488,,0.0,,,,,,,,0.0,,,,0.0,0.0,,0.0
CCCOC(=O)c1cc2ccccc2oc1=O,CID38280,0.0,,,,,,,,0.0,,0.0,,,0.0,,,0.0
COc1ccc2c(C)c(Cl)c(=O)oc2c1,CID179503,,,,,,,,,,0.0,,,,0.0,,,0.0
COc1cc2ccc(=O)oc2c(O)c1OCC=C(C)C,CID644959,,,,,,0.0,,,,,,0.0,,,,,0.0
CCOC(=O)COc1ccc2cc(C(=O)OCC)c(=O)oc2c1,CID731730,,,,,,,,0.0,,,,,,,,,
C=C(C)COc1ccc2ccc(=O)oc2c1,CID875202,,,,,,0.0,,,,,,,,,,,
C=CCc1cccc2cc(C(=O)OCC)c(=O)oc12,CID712620,,,,,,,,,,,,,,0.0,,,
CCOC(=O)/C=C(\C)Sc1cc(=O)oc2ccccc12,CID744370,,,,,,,0.0,,0.0,,,,,,,,
CCOC(=O)C(C)Oc1ccc2c(C)c(C)c(=O)oc2c1,CID2888333,,,,,,0.0,,,,,,,,,,,
CN(C)C(=O)COc1ccc2ccc(=O)oc2c1,CID701437,,,,,,,,0.0,,,,,0.0,,,0.0,
C=CCNC(=O)c1cc2cccc(OC)c2oc1=O,CID2146230,,,,,,,,,,,,,,0.0,,,
C=C(C)COc1ccc2c(C)c(CC(=O)OC)c(=O)oc2c1C,CID907669,,,,,,,,,,,,,0.0,,,,
CC(C)NC(=O)c1cc2cc(Br)ccc2oc1=O,CID719571,0.0,,,,,,,,,,,0.0,,,,0.0,
CCNc1c(N)c(=O)oc2ccccc12,CID654705,,,,0.0,,,,0.0,,,,0.0,0.0,,,,
COC(=O)COc1ccc2oc(=O)cc(C)c2c1,CID975807,,,0.0,,,,,0.0,0.0,,,,0.0,,,0.0,
CCc1cc(=O)oc2cc(OCC(=O)O)c(Cl)cc12,CID936550,,,,,,,,,,,,,0.0,0.0,,,
CCC(=O)Oc1ccc2c(C)c(Cl)c(=O)oc2c1,CID741103,,,,0.0,,,,,,,,,,0.0,,,0.0
C=CCOC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1C,CID2247967,,,,,,,,0.0,0.0,,,,,,,,
CCCCc1c(C)c2ccc(OCC(C)=O)cc2oc1=O,CID666876,,,,,,,,,0.0,,,,,,,,
Cc1c(C)c2ccc(OCC(=O)N(C)C)c(C)c2oc1=O,CID843236,,,,,,0.0,,,,,,,0.0,,,,
Cc1c(C)c2ccc(OCC(=O)N(C)C)cc2oc1=O,CID843235,,,,,,0.0,,,,,,,,,,,
CCc1cc(=O)oc2cc(C)cc(O)c12,CID5308898,,,,,,0.0,,0.0,,,,0.0,,,,,
CC(C)CNc1c(N)c(=O)oc2ccccc12,CID767062,,,,,,,,,,0.0,,0.0,,,,,
CCCc1cc(O)c2c(C)cc(=O)oc2c1,CID5406357,,,,,,,,,,0.0,,,,,,,
Cc1cc(=O)oc2c(C)c(OCC(=O)N(C)C)ccc12,CID975169,,,,,,,,0.0,,,,,0.0,,0.0,0.0,
C=CCc1cccc2cc(C(=O)NC(C)(C)C)c(=O)oc12,CID1257466,,,0.0,,,,,,,,,,,,,0.0,
CCOC(=O)C(C)Oc1ccc2c(CC)cc(=O)oc2c1C,CID2902717,,,,,,,,,0.0,,,,,,,,
CCCCc1cc(=O)oc2cc(OCC(=O)N(C)C)c(Cl)cc12,CID2266910,,0.0,,0.0,,,,,,,0.0,,,0.0,,,
Cc1cc(=O)oc2cc(OCC#N)ccc12,CID1633306,,0.0,,,,,,,,,,,,,,0.0,
C=C(Cl)COc1ccc2c(CC)cc(=O)oc2c1,CID1121328,,,,,,,,,,0.0,,,,,,,
COc1cccc2cc(C(C)=O)c(=O)oc12,CID227363,,,,,,,,0.0,0.0,,,,,0.0,,0.0,
C=C(Cl)COc1cc(C)cc2oc(=O)cc(CC)c12,CID1332050,,,,,,,,,,0.0,,,,,,,
CCCCc1cc(=O)oc2c(CN(C)C)c(O)ccc12,CID5553318,,,,,,,,0.0,,,,,,,0.0,,
COc1ccc2cc(C(C)=O)c(=O)oc2c1,CID2054475,,,,,,,,,,,,,,0.0,,,
CCNc1ccc2c(Cl)cc(=O)oc2c1,CID653949,0.0,,,,,,0.0,,,,,,0.0,,,,0.0
C=C(Cl)COc1ccc2c(CCC)cc(=O)oc2c1,CID1120948,,,,,,,,,,0.0,,,,0.0,,,
COC(=O)COc1ccc2ccc(=O)oc2c1,CID875190,,,,,,0.0,,,,,,,,,,,
CC(=O)C(C)Oc1cc(C)cc2oc(=O)c(C)c(C)c12,CID666304,,,,,,,,,0.0,,0.0,,,0.0,,,
CNC(=O)c1cc2cc(OC)ccc2oc1=O,CID2224621,,,,,,,,,,0.0,,,,,,,
C=CCc1cccc2cc(C(=O)NC)c(=O)oc12,CID2224093,,,,,,,,0.0,,,,,0.0,,,0.0,
CCc1c(C)c2ccc(O)c(CN(C)C)c2oc1=O,CID5421461,,,0.0,,,,0.0,,,,,,,,,,
CCOc1cc2c(C)cc(=O)oc2cc1Cl,CID705105,,,,,,,0.0,,,0.0,,0.0,,0.0,,,0.0
CCc1c(C)c2ccc(OCC(=O)OC(C)C)c(C)c2oc1=O,CID890072,,,0.0,,,,,0.0,,0.0,,,,,,,
CCN(CC)c1ccc2cc(C=O)c(=O)oc2c1,CID143191,,,,,,,,,0.0,,0.0,,,,,,
CC(=O)Nc1c(NC(C)C)c2ccccc2oc1=O,CID1202781,,,,,,0.0,,,,,,,,,,,
Cc1c(Cl)c(=O)oc2cc(OC(C)C)ccc12,CID848781,,,,,,,,,,,,,,0.0,,,
CCc1cc(=O)oc2cc(OC(C)=O)ccc12,CID854695,,,,,,0.0,,,,,,,,,,,
CCOc1ccc2c(CC)cc(=O)oc2c1,CID854696,,,,,,0.0,,,,,,,,,,,
CCCCc1cc(=O)oc2cc(OCC(=O)N(CC)CC)ccc12,CID2250430,,,,,,,,,,,,,,,,,0.0
COC(=O)Cc1c(C)c2ccc(OCC(C)=O)c(C)c2oc1=O,CID906996,,,0.0,,,,,,,,,,,,,,
CCCNc1c(N)c(=O)oc2ccccc12,CID1712720,,,,,,,,,,0.0,,,,,0.0,,
Cc1cc(=O)oc2cc(OS(C)(=O)=O)ccc12,CID269609,,,,,,,,,,,,,,0.0,,,
CC(=O)Oc1cc2oc(=O)cc(C)c2cc1OC(C)=O,CID148769,,,,,,0.0,,,0.0,,,,0.0,0.0,,,
COc1ccc2c(C)c(C)c(=O)oc2c1C,CID674121,,,,,,0.0,,,,,,,,,,,
C=CCOC(=O)COc1ccc2c(C)c(CC)c(=O)oc2c1,CID2187524,,,,,,,,,0.0,,,,,,,0.0,
COC(=O)COc1cc(C)cc2oc(=O)c(CC(=O)OC)c(C)c12,CID974163,,,,,,,,0.0,,,,,,,,,
Cc1c(C)c2ccc(OS(C)(=O)=O)c(C)c2oc1=O,CID2292815,,,,,,,,,,,,,,0.0,,,
CC(C)OC(=O)c1cc2ccccc2oc1=O,CID541823,,,,,,0.0,,0.0,0.0,,,,0.0,,,,
C=CCc1cccc2cc(C(=O)N(CC)CC)c(=O)oc12,CID793678,,,,,,0.0,,0.0,,,,,0.0,,,0.0,
CC(=O)Nc1cc2ccc(OC(C)=O)cc2oc1=O,CID763581,,,,,,,,0.0,,,,,,,,,
CCc1cc(=O)oc2cc(OC(C)=O)cc(OC(C)=O)c12,CID974184,,,,,,,,0.0,,,0.0,,,,,,
C=CCOc1ccc2c(C)c(CC)c(=O)oc2c1,CID1605164,,,,,,0.0,,,,,,,,,,,
Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1,CID100641,,,,,,,,,0.0,,,,,,,0.0,0.0
Cc1c(C)c2ccc(OCC(=O)C(C)(C)C)cc2oc1=O,CID855010,,,,,,0.0,,,,,,,,,,,
Cc1c(C)c2ccc(OCC(=O)C(C)(C)C)c(C)c2oc1=O,CID855011,,,,,,0.0,,,,,,,,,,,
CCc1c(C)c2ccc(OCC(=O)N(C)C)c(C)c2oc1=O,CID889425,,0.0,,,,,,,,,,,,,,,
CCOc1ccc2c(C)c(C)c(=O)oc2c1OCC,CID2963563,,,,,,,,,,,0.0,,,,,,
COc1cc(OC)c2c(C)cc(=O)oc2c1,CID390799,,,,,,,,,0.0,,,,,0.0,,0.0,
CCOc1ccc2c(C)cc(=O)oc2c1OCC,CID796637,,,,,,,,,0.0,,,,,,,,
CCc1cc(=O)oc2c(C)c(O)c(CN(C)C)cc12,CID5390086,,,,,,,,,,,,,0.0,,,,
C=CCc1cccc2cc(NC(C)=O)c(=O)oc12,CID763579,,,,,,,,0.0,,0.0,,,0.0,,,,
CCN(CC)Cc1c(O)c(Cl)cc2c(C)cc(=O)oc12,CID5398465,,,,,,,,,,,,,,,0.0,,
COc1ccc2c(C)cc(=O)oc2c1C,CID879545,,,0.0,,,,0.0,,0.0,,0.0,,0.0,,,,
CCOC(=O)Cc1c(C)c2ccc(N(CC)CC)cc2oc1=O,CID647115,,,,,,0.0,,,,,,,,,,0.0,
COc1ccc2oc(=O)c(C(C)=O)cc2c1,CID540404,,,,,,,,,0.0,0.0,,,,0.0,,,
C=C(C)COc1ccc2c(CC)cc(=O)oc2c1C,CID882017,,,,,,,,,,,,,,0.0,,,
CCc1cc(=O)oc2cc(OCC(=O)OC)c(Cl)cc12,CID797462,,,,,,,,,,,,,,0.0,,,
CCOc1c(C(=O)CC)cc2c(C)cc(=O)oc2c1C,CID848791,,,,,,,,,0.0,,,,,,,,
CCC(=O)c1cc2c(C)cc(=O)oc2c(C)c1OC,CID848790,,,,,,,,,0.0,,0.0,,,0.0,,,
O=C(O)c1cc2ccccc2oc1=O,CID10752,,,,,,,0.0,,,,,,,,,,
CCC(=O)Nc1cc2c(C)cc(=O)oc2cc1C,CID748304,,,,,,,,,,0.0,,,,,,,
CCCC(=O)c1cc2ccccc2oc1=O,CID2774539,0.0,,,,,,,,0.0,,0.0,,,0.0,,,
CCOC(=O)c1cc2ccc(OC)cc2oc1=O,CID914298,,,,,,,,,0.0,,,0.0,,,,,
CCCCCc1cc(O)c2c(C)cc(=O)oc2c1,CID5310636,,,0.0,,,,,,,,,,,,,,
Cc1c(CCC(=O)O)c(=O)oc2cc(O)ccc12,CID5310805,,,,,,,,0.0,0.0,,,,,,,,
COc1cc([N+](=O)[O-])cc2cc(C(=O)NC(C)(C)C)c(=O)oc12,CID1091016,,,,,,,,,,,,,,,0.0,,
COCCNC(=O)c1cc2cc(Br)cc(OC)c2oc1=O,CID1819893,,,,,,,,,,,,0.0,,,,,
COc1ccc2oc(=O)cc(C)c2c1,CID223821,,,,,,,,,0.0,,,,0.0,,,,
CCCc1cc(=O)oc2cc(OCC(=O)OC)cc(OCC(=O)OC)c12,CID1364686,,,,,,,,0.0,,,,,,,,,
CCCCN(C)C(=O)c1cc2cc([N+](=O)[O-])cc(OC)c2oc1=O,CID2148156,,,,,,,,,,,,,,,0.0,,
CCCCc1cc(=O)oc2cc(OCC(=O)N(CC)CC)c(Cl)cc12,CID3631691,,,,,,,0.0,,,,,,,,,,
CN(C)CCNC(=O)c1cc2cc(Br)ccc2oc1=O,CID1245652,0.0,,,,,,,,0.0,,,,,,,,0.0
CCCC(=O)OCCNC(=O)c1cc2ccccc2oc1=O,CID2058422,,,,,,,,0.0,,,,,0.0,,,0.0,
C=C(C)COc1ccc2c(C)c(C)c(=O)oc2c1OCC(=C)C,CID974178,,,0.0,,,,,,,0.0,,,,,,,
CCCCc1cc(=O)oc2cc(C)cc(OC(C)C(=O)O)c12,CID663048,,,,,,,,0.0,,,,,0.0,,,,
CCCCNc1cc(=O)oc2ccccc12,CID2754632,,,,,,0.0,,,,0.0,,,,,,,
CCCCc1c(C)c2ccc(OC)c(/C(C)=N/O)c2oc1=O,CID3241129,,,,0.0,,,,,,,,,0.0,,,0.0,
Cc1cc(=O)oc2cc(NC(=O)CCCC(=O)O)ccc12,CID1212755,,,,,,,,,0.0,,,,,,,0.0,
Cc1cc(=O)oc2cc(OCC(=O)OCC(=O)NC(=O)NC(C)C)ccc12,CID2416484,,,,,,,,,,,,,,,0.0,,
CCc1cc(=O)oc2cc(OCC=C(C)C)ccc12,CID853026,,,,,,,,,,,,,,0.0,,,
CN(C)CCNC(=O)c1cc2ccccc2oc1=O,CID899019,,,,0.0,,,,,,,,0.0,,,,,
CC(=O)Oc1ccc2ccc(=O)oc2c1,CID928228,,,,,,,,,,,,,,0.0,,,
CNC(=O)c1cc2ccc(OC)cc2oc1=O,CID935137,,,,,,,,0.0,,0.0,,,0.0,,,0.0,
CCN(CCO)Cc1cc(=O)oc2c(C)c(C)ccc12,CID664008,,,,0.0,,,,,,0.0,,,,,,,0.0
Cc1cc2oc(=O)cc(C)c2cc1NC(=O)CCC(=O)O,CID875166,,,0.0,,,,,,,,,,0.0,,,0.0,0.0
O=C(O)COc1ccc2ccc(=O)oc2c1,CID875164,,,,,,0.0,,,,,,,,,,,
C=C(C)COc1ccc2c(CC)cc(=O)oc2c1,CID875165,,,,,,,,,,,,,,0.0,,,
CCN(CC)c1c([N+](=O)[O-])c(=O)oc2ccccc12,CID39686,,,,,,,,,,,,,,,0.0,,
CC(=O)COc1cc(C)cc2oc(=O)c(C)c(C)c12,CID713593,,,0.0,,,,0.0,,,,0.0,,,,,0.0,
Cc1cc(OCC(=O)C(C)(C)C)c2c(C)c(C)c(=O)oc2c1,CID1332572,,,,,,,,0.0,0.0,,0.0,,0.0,,,,
CCCCc1cc(=O)oc2cc(C)cc(OCC(=O)O)c12,CID663020,0.0,,0.0,,,,,0.0,0.0,,0.0,,,,,,
COc1cc2oc(=O)c(Br)c(C)c2c(OC)c1OC,CID796660,0.0,,,,,,,,,,,0.0,,,,,0.0
COc1ccc2c(C(F)(F)F)cc(=O)oc2c1C,CID881569,,,,0.0,,,,,,,,,,,,,0.0
CCc1cc(=O)oc2cc(C)cc(OC(C)C(=O)O)c12,CID663272,,,,,,,0.0,,0.0,,0.0,,,0.0,,,
NC(=S)c1cc2cc(Br)ccc2oc1=O,CID812936,,,,,,,,,,,,,,0.0,,,
CC(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1,CID854738,,,,,,0.0,,,,,,,,,,,
CC(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1C,CID854734,,,,,,0.0,,,,,,,,,,,
CCCc1c(C)c2ccc(OCC(C)=O)cc2oc1=O,CID933257,,,,,,0.0,0.0,0.0,0.0,,0.0,,,0.0,,,
CCOc1ccc2c(C)c(Cl)c(=O)oc2c1,CID879502,,,,,,,,,,,,,,0.0,,,
CCOC(=O)Oc1ccc2oc(=O)cc(C)c2c1,CID704700,,,,,,0.0,,,0.0,,,,,0.0,,0.0,
CCN(CC)C(=O)c1cc2cc(Br)ccc2oc1=O,CID790221,0.0,,,,,,,,,,0.0,0.0,,,,,0.0
COC(=O)Cc1cc(=O)oc2cc(OC)ccc12,CID1383603,,,,,,,,,,,,,,0.0,,,
CC(C)(C)OC(=O)NCCC(=O)Oc1ccc2ccc(=O)oc2c1,CID657485,,,0.0,,,0.0,,,,,,,,,,,
C=CCc1cccc2cc(C(=O)O)c(=O)oc12,CID793599,,,,,,,,,0.0,,0.0,,,,,,
CCOC(=O)CCc1c(C)c2ccc(OCC(=O)N(CC)CC)c(C)c2oc1=O,CID1751698,,,,,,,0.0,0.0,,,,,,,,,
C/C(=N\O)c1cc2ccccc2oc1=O,CID661318,,0.0,0.0,,,,,,,,,,0.0,,,0.0,
Cc1cc(=O)oc2cc(OC(C)C)ccc12,CID886514,,,,,,,,0.0,0.0,,0.0,,,,,,
C=C(Cl)COc1ccc2c(C)cc(=O)oc2c1,CID1121591,,,,0.0,,,,,,0.0,,,,0.0,,,0.0
CNC(=O)c1cc2cc(Cl)cc(OC)c2oc1=O,CID934859,,0.0,,,,,,,,,,0.0,,,,0.0,0.0
C#CCOc1ccc2c(C)cc(=O)oc2c1,CID68872,,,,0.0,,,0.0,,,,,,0.0,,,,
CCN(CC)c1ccc2cc(C(C)=O)c(=O)oc2c1,CID688763,,,,,,,,,0.0,,,,,,,,
CC(=O)OCCNC(=O)c1cc2ccccc2oc1=O,CID2056403,,,,,,,,0.0,,,0.0,,,,,0.0,
CCCCC(=O)OCCNC(=O)c1cc2ccccc2oc1=O,CID1712658,,,,,,,,,,,,,,0.0,,0.0,
Cc1cc(=O)oc2cc(N)ccc12,CID92249,,,,0.0,,,,,,,,,,,,,
CC(=O)Nc1c(OC(C)=O)ccc2c(C)cc(=O)oc12,CID3237311,,,0.0,0.0,,0.0,,,,,,,,,,,
Cc1c(C)c2cc(Cl)c(O)c(CN(C)C)c2oc1=O,CID5739885,,,,0.0,,,,,,,,,,,,,
CCN(CC)c1ccc2cc(C(=O)O)c(=O)oc2c1,CID659294,,,0.0,,,,,0.0,,,,,0.0,,,0.0,
CC(C)(C)Nc1c(N)c(=O)oc2ccccc12,CID779846,,,,,,,0.0,,,0.0,,0.0,,,,,
CCC(=O)Nc1c(OC(=O)CC)ccc2c(C)cc(=O)oc12,CID4223974,,,,,,,,0.0,,,,,0.0,,,0.0,
Cc1cc(=O)oc2cc(OC(C)C(=O)O)c(Cl)cc12,CID2771981,,,,,,,,,,,,,,0.0,,,
CCCNc1c(NC(C)=O)c(=O)oc2ccccc12,CID3124632,,,,,,,,,,,,,,0.0,,,
O=C(COc1ccc(Cl)cc1)Nc1cc([N+](=O)[O-])ccc1F,CID675944,,,,,,0.0,,,,,,,,,,,
Cc1cc(C)cc(OCC(=O)Nc2cccc(C(=O)O)c2)c1,CID2233018,,,,,,0.0,,,,,,,,,0.0,,
Cc1ccccc1OCC(=O)Nc1cccc(N(C)S(C)(=O)=O)c1,CID893496,,,,0.0,,,,,0.0,,0.0,,,,,0.0,
COc1cc(NC(=O)C(C)Oc2ccccc2)cc(OC)c1,CID2897840,,,,,,,,,,,0.0,,,,,0.0,0.0
CC(=O)c1cccc(NC(=O)COc2ccccc2)c1,CID721377,,,,,,,,,0.0,0.0,0.0,,0.0,,0.0,0.0,0.0
O=C(COc1ccccc1O)Nc1ccc(Cl)cc1,CID677549,,,,,,,,,,0.0,,,,,,0.0,0.0
CCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)NC(C)CC)cc2)cc1,CID2949620,,,,,,0.0,,,,0.0,,,,,,,
CCc1ccc(OCC(=O)Nc2cc(S(=O)(=O)CC)ccc2O)cc1,CID1190076,,,,,,,,,,,,0.0,,0.0,,,
CCOc1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1,CID732610,,,,,,,,,,,0.0,,,,,,
COc1ccc(OCC(=O)Nc2ccccc2OC(F)F)cc1,CID935338,,,,,,,0.0,,,,,,,,0.0,,0.0
CCOC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccccc2)c(OC)c1,CID1105537,,,,,,,,,,,,0.0,,,,,
Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1CO,CID879655,0.0,0.0,,0.0,,,0.0,,,0.0,0.0,,,,,,
Cc1cc(C)c(OCC(=O)Nc2cccc(O)c2)cc1C,CID2232323,,,,0.0,,,0.0,,,0.0,0.0,0.0,0.0,,,0.0,0.0
O=C(COc1ccc(CO)cc1)Nc1ccc(F)cc1,CID893838,,,,,,,,,,,,,0.0,,0.0,,
COc1cccc(NC(=O)C(C)Oc2ccccc2)c1,CID3735724,,,,,,,,,,,0.0,0.0,,,,0.0,
CSc1ccccc1NC(=O)COc1ccc(Cl)cc1,CID956352,,,,,,,,,,,,,,0.0,,,
CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2F)cc1,CID2204632,,,,,,,0.0,0.0,,0.0,,,0.0,0.0,,,0.0
COc1ccc(NC(=O)COc2ccccc2)c(OC)c1,CID723307,,,,,,,,,0.0,,0.0,0.0,,,0.0,0.0,0.0
COC(=O)COc1cccc(NC(=O)COc2ccccc2)c1,CID888381,0.0,,0.0,0.0,,,0.0,,,,,,0.0,,0.0,0.0,
COc1ccc(OCC(=O)Nc2cccc(C(C)=O)c2)cc1,CID2062404,,,,,,0.0,,,0.0,0.0,,,0.0,,,0.0,0.0
COc1ccc(OC(C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1,CID2789613,,,,,,,,,,,,,,,0.0,,
COc1ccc(OCC(=O)Nc2ccccc2OC)cc1,CID868087,,,,,,,0.0,0.0,,0.0,,,,,0.0,,0.0
Cc1ccc(OCC(=O)Nc2ccc(F)cc2)cc1C,CID678639,,,,,,,,,,,0.0,,,,,,
COc1cc(CNCCO)ccc1OCC(=O)Nc1ccc(Br)cc1,CID2215048,0.0,,,,,,,,,,,,,,,,0.0
Cc1cccc(C)c1OCC(=O)Nc1ccccc1,CID718526,,,,,,0.0,,,,,,,,,,,
CCc1ccc(OCC(=O)Nc2cccc(OC)c2)cc1,CID876035,,,,,,0.0,,,,,,,,,,,
CN(c1cccc(NC(=O)COc2ccccc2)c1)S(C)(=O)=O,CID893707,,,,0.0,,,0.0,0.0,0.0,,,,,,,,
CCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2)cc1,CID1296326,,0.0,,,,,,,0.0,0.0,0.0,,,,,,
Cc1cccc(OCC(=O)Nc2cc(C)c(C)cc2O)c1,CID652031,0.0,,,,,,,,,,,0.0,,,,0.0,
COc1cccc(NC(=O)COc2ccc(C)cc2)c1,CID819752,,,,,,,,,0.0,0.0,,,,,,,
Cc1ccc(OCC(=O)Nc2ccc(N(C)C)cc2)cc1,CID645504,,,0.0,,0.0,0.0,0.0,,,,,0.0,,,,0.0,0.0
CCN(CC)c1ccc(NC(=O)COc2ccc(C)cc2)cc1,CID729967,0.0,,,,0.0,,,0.0,,,,0.0,,,,0.0,
Cc1ccc(NC(=O)COc2ccc(/C(N)=N/O)cc2)cc1C,CID9595214,,,0.0,,,,,0.0,,,,,,0.0,,,
COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)NC(C)=O)cc1,CID1013024,,,,0.0,0.0,,,,,0.0,,,0.0,,,0.0,
Cc1cc(C)cc(NC(=O)COc2cccc(C)c2)c1,CID873434,,,,,,0.0,,,,,,,,,,,
Cc1cccc(OCC(=O)Nc2cccc(O)c2)c1,CID699407,,0.0,,,0.0,,0.0,,,,0.0,,,,,0.0,
COc1ccc(OCC(=O)Nc2cccc(OC)c2)cc1,CID655267,,,,,,,,0.0,,0.0,,0.0,,,,0.0,0.0
COc1ccc(NC(=O)C(C)Oc2ccc(/C(C)=N/O)cc2)cc1,CID661149,0.0,,,,,,,0.0,0.0,,,0.0,,,,,
CCOC(=O)c1ccccc1NC(=O)C(C)Oc1ccccc1,CID2885911,,,,0.0,,,0.0,0.0,,0.0,,0.0,,,0.0,0.0,0.0
COc1cccc(OCC(=O)Nc2ccccc2C(N)=O)c1,CID659792,0.0,0.0,,,0.0,,,,0.0,,,0.0,,,,,
CNCc1ccccc1OCC(=O)Nc1ccccc1,CID2243102,,,,,,,,,,0.0,,0.0,,,,,
Cc1ccc(OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1,CID842976,,,,,,0.0,,,,,,,,,,,
Cc1ccc(OCC(=O)Nc2cccc(O)c2)cc1C,CID877166,,,,,,,,,,,0.0,0.0,,,,0.0,0.0
COc1cc(/C=N/NC(N)=O)c(Br)cc1OCC(=O)Nc1ccccc1C,CID1225447,,,,,,,,,,,,,,0.0,,,
CCS(=O)(=O)c1ccc(O)c(NC(=O)COc2ccccc2)c1,CID680610,,,,,,,,,,,,,,0.0,0.0,,
O=C(COc1ccccc1)Nc1ccc([N+](=O)[O-])cc1,CID309593,,,,,,0.0,,,,,,,,,0.0,,
COC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2)cc1,CID1318386,,,0.0,,,,,0.0,0.0,0.0,0.0,,,,,,
COC(=O)c1ccc(NC(=O)C(C)Oc2ccccc2)cc1,CID2867477,,,,,,,,,,0.0,0.0,0.0,,,,,
CCC(Oc1ccccc1)C(=O)Nc1ccccc1OC,CID2851766,,,,,,,0.0,,,0.0,,,,,,0.0,
CCOc1ccc(NC(=O)COc2ccccc2)c([N+](=O)[O-])c1,CID2876934,,,,,,,,,,,,,,,0.0,,
COC(=O)c1ccccc1NC(=O)COc1ccccc1,CID809705,,,,,,0.0,0.0,,0.0,0.0,0.0,,,0.0,0.0,,
CCOc1ccc(OCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1,CID2792832,,,,,,,,,,,,,,0.0,,,
CC(C)CNC(=O)c1cccc(NC(=O)COc2cccc([N+](=O)[O-])c2)c1,CID1319233,,,,,,,,,,,,,,0.0,,,
CSc1cccc(NC(=O)COc2ccccc2)c1,CID851036,,,,,0.0,,0.0,,,0.0,,0.0,0.0,,,,
COC(=O)c1ccc(C(=O)OC)c(NC(=O)COc2ccccc2OC)c1,CID2209180,,,,,,,0.0,0.0,,,,,,,,,
CNCc1ccccc1OCC(=O)Nc1ccccc1OC,CID972795,,,,,,0.0,,,,0.0,,,,,,,
CCOc1cc(CO)cc(Br)c1OCC(=O)Nc1ccccc1C,CID2990901,,,,,,,,,,,,,,0.0,,,
N#CCCN(C(=O)COc1ccc(C#N)cc1)c1ccc(F)cc1,CID4373978,,,,,,,,,,,,,,0.0,,,
Cc1ccc(OCC(=O)Nc2cc(C)ccc2C)cc1,CID695159,,,,,,0.0,,,,,,,,,,,
Cc1ccc(NC(=O)COc2ccc(Br)cc2CO)cc1,CID1302820,,,,,,,,,0.0,,0.0,0.0,,,,,
NS(=O)(=O)c1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1,CID2885849,,,,,,,,,,,,,,0.0,,,
COc1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1,CID809053,,,,,,,,,,,,,,0.0,,,
Cc1cccc(C)c1OCC(=O)Nc1cccc(C(=O)O)c1,CID1331912,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1ccccc1NC(=O)COc1ccccc1,CID874248,,,,,,,,0.0,0.0,,,,,,,,
Cc1ccc(OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c(C)c1,CID842991,,,,,,0.0,,,,,,,,,,,
COc1cc(Cl)c(C)cc1NC(=O)COc1ccccc1[N+](=O)[O-],CID1189117,,,,,,0.0,,,,,,0.0,,,,,
O=C(COc1ccc(Br)cc1CO)Nc1ccc(F)cc1,CID1254681,0.0,,,,,,,,,,,0.0,,,,0.0,0.0
O=C(COc1ccccc1)Nc1ccccc1Cl,CID309534,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1NC(=O)COc1ccc(Br)cc1C,CID803111,,,,,,,,,,,,,,,0.0,,
CC(=O)Nc1cccc(OCC(=O)Nc2ccc(F)cc2)c1,CID897065,,,,0.0,,,,,,,,,0.0,,,,
Cc1cccc(NC(=O)COc2c(C)cc(C)cc2C)c1,CID683976,,,,,,0.0,,,,,,,,,,,
CCC(=O)Nc1ccc(NC(=O)COc2cc(C)ccc2C(C)C)cc1,CID1364112,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1,CID1211117,,,,,,,,,0.0,,0.0,,,,,,
CCOC(=O)c1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc(C(=O)OCC)c1,CID2632210,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(OCC(=O)Nc2ccc(C)cc2)cc1,CID653856,0.0,,,,,,0.0,0.0,0.0,,0.0,,0.0,,,0.0,
O=C(COc1ccc(CO)cc1Cl)Nc1ccc(F)cc1,CID894175,,,,,,,,,,0.0,,,,,,,
Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(C(C)(C)C)cc1,CID710349,,,,,,0.0,,,,,,,,,,,
O=C(COc1ccc(Cl)cc1)Nc1ccccc1CO,CID660988,0.0,0.0,,,,,0.0,,,0.0,,,,,,,0.0
O=C(COc1ccc(Br)cc1CO)Nc1ccccc1,CID972563,,,,,,,,,,,0.0,,,,,,
CCOc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1,CID2122221,,,,,,0.0,0.0,,,,0.0,,,,,0.0,
O=C(COc1cc(F)ccc1[N+](=O)[O-])Nc1cccc(Br)c1,CID2565684,,,,,,,,,,,,,,,0.0,,
O=C(COc1ccc(Br)cc1CO)Nc1ccccc1F,CID1248222,0.0,,,,,,,,0.0,,0.0,0.0,,,,0.0,
CCOC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2ccc(C)cc2C)c(OC)c1,CID5443591,,,,,,0.0,,,,,,,,,,,
COCCNC(=O)c1ccccc1NC(=O)COc1ccccc1,CID2208966,0.0,,0.0,0.0,,,,,,,0.0,,0.0,,,,
CCOC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccc(OC)cc2)c(OC)c1,CID1112660,,,,,,,,,,,,,,,0.0,,
CC(C)(CO)NCc1ccccc1OCC(=O)Nc1ccccc1,CID1302858,0.0,0.0,,,0.0,,,0.0,,,,,,0.0,,0.0,
Cc1ccc(OCC(=O)Nc2ccc(O)c(C(=O)O)c2)cc1C,CID2231577,0.0,0.0,0.0,,0.0,,0.0,,,,,,,,,0.0,
Cc1ccc(OCC(=O)Nc2ccc(C)c(C)c2)cc1,CID877870,,,,,,0.0,,,,,,,,,,,
CCOCCOC(=O)c1ccc(NC(=O)COc2cc(C)ccc2C(C)C)cc1,CID1553984,,,,,,0.0,,,,,,,,,,,
COc1cc(NC(=O)C(C)Oc2ccccc2)c(C(=O)O)cc1OC,CID2914913,,,0.0,0.0,,,0.0,,,,,,,,0.0,0.0,
CCC(=O)Nc1cccc(NC(=O)COc2ccc(OC)cc2)c1,CID2276822,,,,0.0,,,0.0,0.0,0.0,,,0.0,,,,,
CCc1ccccc1OCC(=O)Nc1ccc(S(N)(=O)=O)cc1,CID724755,,,,,0.0,,0.0,,,,,,,0.0,,0.0,0.0
Cc1ccccc1OCC(=O)Nc1ccc(C(N)=O)cc1,CID717562,,,,,,0.0,,,,,,0.0,,,,,
COc1ccc(OCC(=O)Nc2ccccc2Cl)cc1,CID580289,,,,,,,,,,,,,,0.0,,,
CCC(C)c1ccccc1OCC(=O)Nc1cc(C(=O)O)cc(C(=O)O)c1,CID2879226,,,,,,0.0,,,,,,,,,,,
COC(=O)c1ccc(NC(=O)COc2ccccc2OC)cc1,CID717657,,,,,,,,,,0.0,,,0.0,,0.0,0.0,0.0
COC(=O)c1ccc(C(=O)OC)c(NC(=O)COc2ccc(C)cc2C(C)(C)C)c1,CID1184735,,,,,,0.0,,,,,,,,,,,
CCc1ccc(OCC(=O)Nc2ccc(F)cc2)cc1,CID875958,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1ccc(NC(=O)COc2ccccc2OC)cc1,CID661259,,,,0.0,,,,,,,,,,,,,0.0
COc1cccc(NC(=O)COc2ccccc2C(N)=O)c1,CID974502,,,0.0,,0.0,,,0.0,,,,0.0,0.0,,,,
CCOc1cc(/C=C\[N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1C,CID2295300,,,,,,0.0,,,,,,,,,0.0,,
N#CCCN(C(=O)COc1ccc(Br)cc1F)c1ccc(F)cc1,CID2548228,,,,,,,,,,,,,,,0.0,,
CCCCOC(=O)c1cccc(NC(=O)C(C)Oc2ccc(OC)cc2)c1,CID2789583,,,,,,0.0,,,,,,,,,,,
COc1ccc(OC(C)C(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1,CID2789585,,,,,,0.0,,,,,,,,,,,
CCS(=O)(=O)c1ccc(O)c(NC(=O)COc2ccc(OC)cc2)c1,CID1194335,,,,,,,,,,,,,,0.0,,,
COc1ccccc1OCC(=O)Nc1ccc(O)cc1C(=O)O,CID660990,,,,,0.0,0.0,,0.0,,,,,0.0,,,0.0,
COc1cc(NC(=O)COc2cccc(OC)c2)cc(OC)c1,CID868164,,,,,,,0.0,,,0.0,0.0,,,,,0.0,
O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccccc1O,CID2879647,,,,,,0.0,,,,,,,,,,,
C=Cc1cccc(NC(=O)COc2ccccc2)c1,CID2231690,,,,,,,0.0,0.0,,,0.0,,,,,,
CN(c1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1)S(C)(=O)=O,CID982636,,,,,,,,,,,,,,,0.0,,
CCc1cccc(NC(=O)COc2ccccc2)c1,CID898185,,,,,,,,,0.0,,0.0,,,,,,
CCOc1ccccc1OCC(=O)Nc1ccc(Cl)cc1Cl,CID725082,,,,,,,,,,,,,,0.0,,,
COc1cccc(OCC(=O)Nc2ccc(OC)c(OC)c2)c1,CID868062,,,,,,,0.0,,,,,,0.0,,,,
Cc1ccc(OCC(=O)Nc2c(C)cccc2C(C)C)c(C(C)(C)C)c1,CID1182580,,,,,,0.0,,,,,,,,,,,
COc1cc(NC(=O)COc2ccccc2C)cc([N+](=O)[O-])c1,CID691611,,,,,,0.0,,,,,,,,,,,
COc1ccccc1OCC(=O)Nc1ccc(C(N)=O)cc1,CID2364229,,,,,,,,,,,,0.0,,,,,
COc1ccccc1NC(=O)COc1ccc(Br)cc1CO,CID2063176,,,,,,,,,,,0.0,0.0,,,,,
CCCNC(=O)c1ccccc1NC(=O)COc1ccc(OC)cc1,CID2204902,,,,,,,,,0.0,,0.0,0.0,,,0.0,,
CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)COc2ccccc2)cc1,CID1213802,,,,,,0.0,,,,0.0,,,,,,,
COC(=O)c1ccccc1NC(=O)C(C)Oc1ccccc1,CID2897831,,,,,,,,0.0,,0.0,,,,,0.0,0.0,0.0
Cc1cccc(OCC(=O)Nc2cc(C)ccc2O)c1,CID2233047,,,,,,,0.0,,,,,0.0,0.0,,,,0.0
Cc1ccccc1OCC(=O)Nc1cccc(C(=O)O)c1,CID759347,,,,,,,,,,,,,,,0.0,,
COC(=O)c1ccccc1NC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1,CID1319369,,,,,,,,,,,,,,,0.0,,
CCC(C)NC(=O)c1ccccc1NC(=O)COc1ccc(OC)cc1,CID2942479,,,,,,,,,0.0,,,0.0,,,,,
COc1ccc(OCC(=O)Nc2ccccc2O)cc1,CID882632,,,,,,,,,,0.0,,,,0.0,0.0,,
COc1ccc(OCC(=O)Nc2cc(OC)cc(OC)c2)cc1,CID774455,,,,,,,0.0,0.0,,,,,,,,,
COc1cccc(OCC(=O)Nc2ccccc2NC(C)=O)c1,CID3242194,0.0,,,,,,,0.0,0.0,,,0.0,,,,,0.0
CCS(=O)(=O)c1ccc(O)c(NC(=O)COc2ccc(C)cc2)c1,CID692180,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(OC(C)C(=O)Nc2ccc(N(C)C)cc2)cc1,CID2789619,,,,,,0.0,,,,,,,,,,,
CC(Oc1ccccc1)C(=O)Nc1ccc(C(N)=O)cc1,CID2856664,,,,1.0,0.0,,0.0,,,,,,0.0,0.0,,,
COc1ccccc1OCC(=O)Nc1ccc(Cl)cc1,CID729948,,,,,,,,,,0.0,,0.0,,,,,
COc1cccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)c1,CID2184195,,,,,,0.0,,,,,,,,,,,
O=C(COc1ccccc1O)Nc1ccccc1Cl,CID677548,0.0,,,,,,,,,,,0.0,,,,0.0,0.0
Cc1ccc(C)c(OCC(=O)Nc2cccc(C(=O)O)c2)c1C,CID731182,,,,,,,,,0.0,,,,,,,,
COc1ccccc1NC(=O)COc1ccc(C)c(C)c1,CID585811,,,,,,0.0,,,,,,,,,,,
CCN(CC)S(=O)(=O)c1ccc(NC(=O)COc2c(OC)cccc2OC)cc1,CID2092697,,,,,,,,,,,0.0,,,,,,
Cc1ccc(NC(=O)COc2ccc(Cl)c(C)c2)c([N+](=O)[O-])c1,CID2887082,,,,,,0.0,,,,,,,,,,,
O=C(COc1ccccc1)Nc1cccc([N+](=O)[O-])c1,CID689975,,,,,,0.0,,,,,,,,,,,
Cc1cccc(NC(=O)COc2ccccc2)c1,CID689978,,,,0.0,,,0.0,,,,0.0,,0.0,,,0.0,
CSc1ccccc1NC(=O)COc1ccccc1Cl,CID2202509,,,,,,,,,,,,0.0,,0.0,,,
Cc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)c1,CID2789930,,,,,,0.0,,,,,,,,,,,
CSc1ccccc1NC(=O)COc1ccc(Cl)cc1C,CID759527,,,,,,,,,,,,,,0.0,,,
CC(=O)Nc1ccc(NC(=O)C(C)Oc2ccccc2F)cc1,CID2934335,,,,,,,,0.0,0.0,,,,,,,0.0,
CCOC(=O)Nc1cccc(OCC(=O)Nc2ccc(OC)cc2OC)c1,CID2092397,0.0,,0.0,,0.0,,,,,,,,,,,,
CCOC(=O)Nc1cccc(OCC(=O)Nc2ccccc2OC)c1,CID2092395,0.0,,0.0,0.0,,,,,,,,0.0,,,,0.0,
Cc1ccc(O)c(NC(=O)COc2cc(C)ccc2C)c1,CID977208,0.0,,,,,,,,,0.0,0.0,,,,0.0,0.0,
CCCc1ccc(OCC(=O)Nc2cc(S(=O)(=O)CC)ccc2O)cc1,CID1112404,,,,,,,,,,,,,,,0.0,,
COc1ccccc1NC(=O)COc1ccc(CO)cc1Cl,CID1266427,0.0,0.0,,0.0,,,,,,,,,,,,,0.0
CCOC(=O)c1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1,CID732106,,,,,,0.0,,,,,,,,,,,
Cc1ccccc1OCC(=O)Nc1ccc(Cl)cc1,CID775392,,,,,,0.0,,,,,,,,,,,
CC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2F)cc1,CID1316065,,,,,,,,,0.0,,,,,0.0,,,
CC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2F)cc1,CID2943006,,,,,,,,,,0.0,,,,,,,
Cc1ccc(NC(=O)COc2ccccc2Cl)c(C(=O)O)c1,CID594841,,,,,,0.0,,,,,,,,,,,
C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)COc2ccccc2OC)cc1,CID1226875,,,,,,,,,,0.0,,,,,,,
CCCOC(=O)c1cccc(NC(=O)COc2cc(C)cc(C)c2)c1,CID1563238,,,,,,0.0,,,,,,,,,,,
CC(=O)Nc1cccc(OCC(=O)Nc2ccccc2)c1,CID898263,0.0,0.0,,0.0,,,0.0,,,0.0,,0.0,0.0,,,,0.0
CC(Oc1ccccc1)C(=O)Nc1ccccc1O,CID2953881,,,,,,,,,,0.0,0.0,,,0.0,,,
O=C(COc1ccccc1)Nc1ccccc1CO,CID879281,,,,,,0.0,,,,,,,,,,,
Cc1ccccc1OCC(=O)Nc1ccccc1CO,CID879287,0.0,,,0.0,0.0,0.0,,,,0.0,0.0,,,,,,
COc1ccc(OC(C)C(=O)Nc2cccc(OC)c2)cc1,CID2789573,,,,,,0.0,,,,,,,,,,0.0,0.0
COc1ccccc1NC(=O)COc1ccccc1,CID721262,,,,,,,,,0.0,,0.0,,,,,,
CCOC(=O)CSc1nc2cc(OCC)ccc2cc1C#N,CID650479,,0.0,,0.0,,,,,,,,,,,,,0.0
O=C(O)CCSc1ccc2ccccc2n1,CID661670,,0.0,,,,,,,,,,,,,,,
CCOC(=O)CSc1cccc2cccnc12,CID975565,,,,,0.0,,0.0,,,,,,,,,,
CCN(CC)c1nc2cc(OC)ccc2cc1C#N,CID3237518,,,,,,,,,,0.0,,,,,,,
COCc1ccc(O)c2ncccc12,CID690129,,,,,,,,,,,0.0,,,,,,
CCc1nc2ccccc2c(C(=O)O)c1C,CID865215,,,,,,,,,0.0,,,,,,,,
COC(=O)c1ccc2ncccc2c1,CID736812,,,,,,,,,,,,0.0,0.0,,,,
O=C(O)CSc1ccc2ccccc2n1,CID408543,,,,,,,0.0,,,,,,,,,,
C/C(CC(O)c1ccc2ccccc2n1)=N\O,CID3114297,,,,,,,,,,,,,0.0,,,,
CC(C)=CCc1c(C)nc2ccccc2c1C(=O)O,CID684511,0.0,,,,,0.0,0.0,0.0,0.0,,,,,,,,
CNS(=O)(=O)c1cccc2cccnc12,CID706495,,0.0,,,,,,,,,,,,,,,
CCN(CC)S(=O)(=O)c1cccc2cccnc12,CID706496,,,,,,,,,,,,0.0,,,,,
CCCc1c(C)nc2c(Br)cccc2c1Cl,CID702518,,,,,,,,,,,,,,,0.0,,
CCOc1ccc2cc(C#N)c(SCC(=O)NC(C)CC)nc2c1,CID655498,,,,,,,,0.0,,,,0.0,,,,0.0,
O=C(O)CCCC(=O)Nc1cccc2cccnc12,CID695449,,,0.0,,,,0.0,,,,,,,,,,0.0
CCN(CC)C(=O)Cc1cc(C(=O)O)c2ccccc2n1,CID847940,,,,,,,,,,,,,,,0.0,,
CC(=O)/C=C/c1ccc2ccccc2n1,CID736420,,,,,,0.0,,,,,,,,,,,
COc1cc2cc(C(N)=O)c(N)nc2cc1OC,CID781584,,,,,,,,,,,,0.0,,,,,
CC(=O)c1c(C)nc2ccccc2c1N,CID672297,,0.0,,0.0,,,0.0,,,,,0.0,,,,0.0,
O=C(COc1cccc2cccnc12)NCC(F)(F)F,CID2089905,,,,0.0,,,,,0.0,,,,,,,,0.0
NC(=O)COc1cccc2cccnc12,CID753651,,,,,,,,,,,0.0,0.0,,,,,
CCOC(=O)CSc1nc2cc(OC)ccc2cc1C#N,CID651177,,,,,,,,0.0,,0.0,,,,,,,0.0
CCCCN(CCCC)S(=O)(=O)c1ccc(OC)c2ncccc12,CID613863,,,,,,,0.0,0.0,,,,,,,0.0,,0.0
CNC(=O)OCc1cnc2ccc(OC)cc2c1COC(=O)NC,CID338493,,,,,,,,0.0,,,,,,,,,
CC(=O)c1c(C)nc2ccc(Br)cc2c1C(=O)O,CID3623814,0.0,,,,,,,,,,,,,,,,
CCOC(=O)c1cc2cc(F)ccc2nc1C,CID663463,,,,0.0,,,,,,,,,,,,,
OCC#Cc1cnc2ccccc2c1,CID650142,,,,0.0,,,,,,,,,,,,,
CCCCNS(=O)(=O)c1ccc(OC)c2ncccc12,CID626312,,0.0,,,,,,0.0,,,,,,,,,
CCC(C)(C)NCCCCCNc1cc(OC)cc2cccnc12,CID245082,,,,,,,,0.0,,,,,,,,,
Cc1ccc2cc(C(=O)O)c(C)nc2c1,CID818247,,,,,,,,,,,,0.0,,,,,
Cc1cc2cc(C=O)c(Cl)nc2cc1C,CID788657,,,,,,,,,,,,,,0.0,,,
COc1cc(OC)c2c(OC)cccc2n1,CID849850,,,,,,,,,,,,,,0.0,,,
Cc1cc(C(=O)NC(C)CCC(C)C)c2ccccc2n1,CID4877911,,,,,,,,,,,,,,0.0,,,
O=C(O)/C=C/c1ccc2ccccc2n1,CID712919,,,,,,,,,,,,,,,0.0,,
CCC(C)NCCNc1cc(OC)cc2cccnc12,CID410584,,,,,,,,1.0,,,,,,,,,
COCCNC(=O)c1ccc2ccccc2n1,CID2120772,,,0.0,,,,0.0,,0.0,0.0,,,,,,,
COc1ccc2cc(C#N)c(NC(C)C)nc2c1,CID3237879,,,,0.0,,,,0.0,,,,0.0,,,,0.0,
CCOc1ccc2nc(NCCNC(=O)CC)c(C#N)cc2c1,CID650115,,,,0.0,,,,,,0.0,,,,,,,
Cc1cc(OCC(=O)O)c2ccccc2n1,CID658584,,,,,,,,,,0.0,0.0,,0.0,,,0.0,
CCCCOC(=O)c1cc(C)nc2ccc(Br)cc12,CID3114261,,,,,,,,,,,0.0,0.0,,,,,
CCOC(=O)c1ccc2ncc(C(=O)OCC)c(NCCN(C)C)c2c1,CID1078338,,,0.0,,,,,0.0,,,,0.0,,,,,
COC(=O)CSc1nc2cc(C)cc(C)c2cc1C#N,CID648917,,,0.0,,,,,0.0,,,,,,,,,
CCOc1ccc2nc(NCCNC(=O)C(C)C)c(C)cc2c1,CID652704,,,0.0,0.0,,,,0.0,,,,,,,,,
O=[N+]([O-])c1cc(O)cc2cccnc12,CID226259,,,,,,,,1.0,,,,,,,,,
COc1cc(NCCCCN)c2ncccc2c1,CID231916,,,,,,,,0.0,,,,,,,,,
CCCc1c(C)nc2c(OC)cccc2c1SCC(=O)O,CID3132919,,,,,,,,,,,,,,,0.0,,
CCC(=O)Nc1c(C)c(CC)nc2ccccc12,CID659164,,,,,,,0.0,,,0.0,,0.0,,,,,
Cc1cc(C#N)c2ccccc2n1,CID657495,,,,,,,,,,,,,0.0,,,,
CC(C)C(=O)NC(Nc1cccc2cccnc12)C(Cl)(Cl)Cl,CID3118270,,,,,,,,,,,,0.0,,,,,
Cc1nc2ccccc2cc1C(=O)O,CID1481999,,,,,,,,,,,0.0,,,,,,
COc1ccc2cc(CO)c(Cl)nc2c1,CID828415,,,,,,,,,,,,,,0.0,,,
COC(=O)c1cnc2c(C(F)(F)F)cccc2c1OC,CID1512190,,,,,,,,,,,,,,,,,0.0
CCc1ccc2nc(SCC(=O)N(CC)CC)c(C#N)cc2c1,CID654548,,,,,,,0.0,,,,,,,,,,
CCOC(=O)CSc1nc2cc(C)cc(C)c2cc1C#N,CID653532,,,,0.0,,,,0.0,,,,,,,,,
OCc1ccnc2c(O)cccc12,CID658612,,,,,,,0.0,0.0,,,,,,,,,
COC(=O)c1c(C)nc2ccccc2c1C(=O)O,CID3236342,,,,0.0,,,,0.0,,,,,,,,,
COc1ccc2c(C)cc(SCC#N)nc2c1,CID1628135,,,,0.0,,,,,,,,,,,,,
COc1ccc(OC)c2c(N)c(C#N)c(C(F)(F)C(F)(F)F)nc12,CID660695,,,,,,,,,0.0,,,,,,,,0.0
CS(=O)(=O)Nc1cccc2cccnc12,CID151506,,,,,0.0,,,,,0.0,,,,,,,0.0
CCOc1ccc2nc(C)cc(C(=O)O)c2c1,CID3235654,,,0.0,,,0.0,,,,0.0,,,0.0,,,0.0,
Cc1cc2ccc(C)c(C)c2nc1SCC#N,CID647916,,,0.0,,,0.0,,,,,0.0,,,,,,
NCCCCCNc1cc(O)cc2cccnc12,CID245091,,,,,,,,1.0,,,,,,,,,
CCCc1nc2ccccc2c(C(=O)O)c1CC,CID2384587,,,,,,,,,0.0,,,,,,,,
CCOC(=O)c1cnc2ccc(Br)cc2c1NCCO,CID1569283,,,,,,,,,,,,0.0,,,,,
CCN(CC)CCNc1ccnc2cc(Cl)ccc12,CID408190,,,,,,,0.0,,,,,,,,,0.0,
COC(=O)/C=C/c1cnc2ccccc2c1,CID1491214,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)c2ccc(N)nc2c1O,CID3244543,,0.0,,,,,,0.0,,,,,,,,0.0,
O=C(O)CCS(=O)(=O)c1cccc2cccnc12,CID893413,,,,,,,,,0.0,,,,,,,,0.0
COc1ccc2nc(C)cc(C(=O)O)c2c1,CID652347,,,,,,,,0.0,,,,,,,,0.0,
CCNC(=S)NNC(=O)c1cc(CC(C)C)nc2ccccc12,CID1767737,,,,,,0.0,,,,,,,,,,,
Cc1cc(C)c2cc(C#N)c(NCCCNC(=O)CCC(=O)O)nc2c1,CID653460,,,,0.0,,,,0.0,,,,,,,,,
Cc1ccc2cc(C)c(NCCO)nc2c1,CID648198,,,,0.0,,,0.0,,,,,0.0,,,,,
CNC(=O)COc1ccc(Cl)c2cccnc12,CID973403,,,,,,,,,,,,,,0.0,,,
CCCNC(=O)COC(=O)c1cc(C)nc2ccccc12,CID2417560,,,,,,,,,,,,,,0.0,,,
CCOC(=O)CC(=O)CSc1nc2ccc(C)cc2cc1C#N,CID653094,,,0.0,0.0,,,,0.0,,,0.0,,,,,,0.0
CC(O)/C=C/c1ccc2ccccc2n1,CID5310824,,,,,,,,0.0,0.0,,0.0,,,,0.0,,
CCSc1nc2ccc(C)cc2cc1C#N,CID865551,,,,,,,,,,,,,,,0.0,,
O=[N+]([O-])c1cccc2c(Cl)ccnc12,CID610440,,,,,,,,,,,,,,0.0,,,
COCC(=O)NCCNc1nc2ccc(C)cc2cc1C,CID647352,,0.0,,0.0,,0.0,,,,,,,,,,,
CCOC(=O)CSc1cc(C)nc2ccc(OC)cc12,CID864463,,,,,,,,,,,,,,0.0,,,
COC(=O)CSc1cc(C)nc2ccc(OC)cc12,CID864464,,,,,,0.0,,,0.0,,,,,,,,
COc1cc(NC(C)CCCN)c2ncccc2c1,CID4908,,,,,,,,0.0,,,,,,,,,
O=[N+]([O-])c1cc(Cl)c2cccnc2c1O,CID260645,,,,,,,,,,,,,,0.0,,,
Cc1ccc2nc(C(F)(F)F)c(C#N)c(N)c2c1,CID660762,,,,0.0,,,,,,,,,,,,,0.0
COC(=O)c1c(C(C)=O)cnc2ccc(Br)cc12,CID3236405,,,,,,,,,,,,0.0,,,,,0.0
CCOc1ccc2nc(SCC#N)c(C#N)cc2c1,CID649765,,,,0.0,,,,,,,,,0.0,,,,
Cc1cc(C)c2nc(C(F)(F)F)c(C#N)c(N)c2c1,CID622172,,,,,,,,,0.0,,,,,,,,
CCC(CC)NCCCNc1cc(OC)cc2cccnc12,CID414229,,,,,,,,0.0,,,,,,,,,
CCOC(=O)c1cc(C(=O)OCC)c2cc(Br)ccc2n1,CID1068494,0.0,,,,,,,,,,,0.0,,,,,0.0
CCOC(=O)c1cnc2c(Cl)cc(Cl)cc2c1NCCOCCO,CID1569301,,,,,,,,,,0.0,,,,,,,
Cc1cc(C(N)=O)c2ccccc2n1,CID85122,,,0.0,,,0.0,,0.0,,,,0.0,,,,,
O=S(=O)(c1cccc2cccnc12)N(CCO)CCO,CID975246,,,,,,,0.0,,,,,,,,,,
CCCc1cc(C(=O)O)c2ccccc2n1,CID854375,,,,,,,,,0.0,,,0.0,,,,,
Brc1ccc2cccnc2c1,CID521259,,,,,,,,,,,,0.0,,,,,
Cc1nc2ccccc2cc1O,CID594394,,,0.0,0.0,,,,,,,0.0,0.0,,,,,
CCCNCCCC(C)Nc1cc(OC)cc2c(C)ccnc12,CID437121,,,,,,,,0.0,,,,,,,,,
CCOC(=O)CC(=O)CSc1nc2cc(C)ccc2cc1C,CID3171518,,,,,,,,,0.0,,,,,,,,
O=[N+]([O-])c1ccc(Cl)c2cccnc12,CID242755,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1ccc2nc(C)c(CCC(C)=O)c(Cl)c2c1,CID790303,,,,,,0.0,,,,,,,,0.0,,,
CCOc1ccc2cc(C#N)c(SCC(=O)OC)nc2c1,CID656128,,,,0.0,,,,,,,,,0.0,,,0.0,0.0
CCN(CC)c1nc2cc(C)ccc2cc1/C=C(\C#N)C(N)=O,CID6176893,,,,,,,,,,,,,,,0.0,,
COc1ccc2nc(C(F)(F)C(F)(F)F)c(C#N)c(N)c2c1,CID629063,,,,,,,,,0.0,,,,,,,,
O=[N+]([O-])c1cc(Cl)c(O)c2ncccc12,CID1511784,,,,,,,,,,,,,,,0.0,,
CCCNS(=O)(=O)c1cccc2cccnc12,CID4190320,,,,,0.0,0.0,,,,,,,0.0,,,,
CCOC(=O)c1cc2ccccc2nc1C,CID647634,,,,,,,,,0.0,,0.0,,,,,0.0,
COc1ccc2cc(C#N)c(Cl)nc2c1,CID778250,,,,,,,,,,,,,,0.0,,,
CCCCCC(=O)Nc1cc(N(C)C)nc2ccccc12,CID2831764,,,0.0,,,,,0.0,,,0.0,,,,,,
Cc1ccc2cc(C)c(SCC#N)nc2c1,CID649377,,,,,,,,,,,,,0.0,,0.0,,
Cc1cc(C(=O)NN)c2cc(Br)ccc2n1,CID694035,,,,,,,,,,,,0.0,,,,,
Cc1ccc2cccc(NC(=O)C(F)(F)F)c2n1,CID753142,,,,,,,,,0.0,,,,,,,,0.0
Cc1ccc([N+](=O)[O-])c2cccnc12,CID246300,,,,,,,,,,,,0.0,,,,,
CCCCNC(=O)COC(=O)c1cc(C)nc2ccccc12,CID2428425,,,,,,0.0,,,,,,,,,,,
Cc1cc(C)c2ccc(NN)nc2c1O,CID1380882,,,,,,,,,,,,0.0,,,,,
COc1cc(C(=O)O)nc2ccccc12,CID594596,,,,,,,,,,,,,0.0,,0.0,,0.0
COc1ccc2nc(C)cc(SCC(=O)O)c2c1,CID649455,,,,,,,0.0,,0.0,,,0.0,,,,0.0,
Cc1cc(C)c2ccc(C(=O)O)nc2c1O,CID746967,,,,,,0.0,,,,,,,,,,,
NNC(=O)COc1cccc2cccnc12,CID796690,,,,,,,,,,,,,,0.0,0.0,,
CCN(CC)C(=O)Nc1cnc2ccccc2c1,CID795670,,,,0.0,,0.0,,,,0.0,,0.0,,,,,
CC(C)Cc1cc(C(=O)O)c2ccccc2n1,CID2063877,,,,,,,,,0.0,,,,,,,,
CCCCc1nc2ccccc2c(C(=O)O)c1C,CID645907,,0.0,,,,,,,,,0.0,,,,0.0,0.0,
CCN(CC)CCC(=O)Nc1cc(OC)cc2cccnc12,CID437117,,,,,,,,0.0,,,,,,,,,
Cc1cc(C)c2nc(SCC#N)cc(C)c2c1,CID2669548,,,0.0,,,0.0,,,,,0.0,,0.0,,,,
Nc1ccc2ncccc2c1,CID11373,,,,0.0,,,,,,,,0.0,,,,,
COC(=O)CSc1nc2cc(OC)ccc2cc1C#N,CID656385,,,,0.0,,0.0,0.0,,,,,,,,0.0,,0.0
CCN(CC)c1cc(C)c2cc(NC(=O)CNC(C)=O)ccc2n1,CID3238048,,,,,,0.0,,,,,,,,,,,
COC(=O)CSc1nc2cc(C)ccc2cc1C#N,CID654307,,,,0.0,,,,,,,,,0.0,,,,0.0
CN(C)C(=O)Nc1cnc2ccccc2c1,CID753835,,,,0.0,,,,,,,,0.0,,,,,
CCCCC(=O)Nc1cc(N(C)C)nc2ccccc12,CID645422,,,,0.0,,0.0,0.0,,,0.0,,,,,,0.0,
CCOC(=O)CSc1nc2cc(C)ccc2cc1C#N,CID649380,,,,,,,,,,,,,,,,,0.0
CN(C)C(=O)Oc1ccnc2cc(Cl)ccc12,CID749788,,,,,,,,,,,,,,0.0,,,
COc1ccc2nc(Cl)c(C#N)cc2c1,CID865612,,,,,,,,,,,,,,,0.0,,
NS(=O)(=O)c1cccc2cccnc12,CID94464,,,,0.0,0.0,,0.0,,,,,,0.0,,,,
COCCNS(=O)(=O)c1cccc2cccnc12,CID3452964,,0.0,,,,,,0.0,,,0.0,,,,,,
CC(=O)c1c(C)nc2cc(Cl)ccc2c1N,CID1856693,0.0,,,,,,,,,,,,,,,0.0,0.0
CCN(CC)C(=O)Sc1cccc2cccnc12,CID651188,,,,,,,0.0,,,,,,0.0,,,,0.0
CC(Sc1ccc2ccccc2n1)C(=O)O,CID661441,,,,,,,0.0,,,,,,,,,,
CCOC(=O)c1cnc2ccc(Br)cc2c1NCC(C)O,CID2791873,0.0,,,,,,,,,,,,,,,0.0,0.0
CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1,CID3025,,,,,,,,,,,0.0,,,,,,
Cc1cc(C(=O)OCC(=O)NC(C)(C)C)c2ccccc2n1,CID2417704,,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1cnc2ccc(C)cc2c1NCCO,CID1568453,,,,,,,,,,,,0.0,,,,,
COCCCNc1ccnc2c(Cl)cccc12,CID660903,0.0,,,0.0,,,0.0,,,0.0,,,,,,0.0,0.0
COc1ccc2nc(SCC(N)=O)cc(C)c2c1,CID664530,,,,,0.0,,0.0,0.0,,,,,,,,,
COCCCNC(=O)c1cc(C)nc2ccc(F)cc12,CID2210580,,,,,,,0.0,,,,0.0,,,,,,
Cc1cc(C(N)=O)c2cc(Br)ccc2n1,CID755395,0.0,,,,,,,,,,,0.0,,,,,0.0
COC(=O)Nc1cc(C)nc2ccccc12,CID3241038,,,,,,,,,,,,0.0,0.0,,,,0.0
CN(C)C(=O)CSc1cccc2cccnc12,CID851301,,,,,,,0.0,,,0.0,,,,,,,
CCOC(=O)c1cnc2ccccc2c1NCCO,CID656280,,,,,0.0,,,,,,,,,,,,
COCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC(C)C,CID2989582,,0.0,,,,,,,0.0,,,,,0.0,,,
C=CCn1c(Br)nc2c1c(=O)n(C)c(=O)n2C,CID651503,,,,,,,0.0,,,,,0.0,,,0.0,0.0,0.0
CCN(CC)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C,CID652907,,,,,,,,0.0,,,,,,0.0,,,
Cn1c(=O)c2c(ncn2CC(=O)NC(C)(C)C)n(C)c1=O,CID712745,,0.0,0.0,,,,,0.0,,,,,,,,,
C=CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1CC,CID3144847,,0.0,,,,,,,0.0,,,0.0,,,0.0,,
CCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C(C)C,CID3111694,,,,,,,,,,,,0.0,,,,,
CCOCCn1c(SCC)nc2c1c(=O)[nH]c(=O)n2C,CID650364,,,0.0,,,,,,,,,0.0,,,,0.0,
C=CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1C,CID64125,,,0.0,,,,0.0,,,,,,,,,,
Cn1c(=O)c2c(nc(Br)n2C)n(C)c1=O,CID64127,,,,,,,,,0.0,,,,,,,,
C=CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCCCC,CID660194,,,,0.0,,,,0.0,,,,,,,,,
CC(C)n1c(SCC(N)=O)nc2c1c(=O)n(C)c(=O)n2C,CID654819,,0.0,,,,,0.0,,,,,,0.0,,,,
C=CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C/C=C(/C)Cl,CID5757303,,0.0,0.0,,,,,,,,,,,,,,
Cn1c(=O)c2c(ncn2CC(N)=O)n(C)c1=O,CID656226,,0.0,0.0,0.0,,,,,,,,,,0.0,0.0,,
CCOCCn1c(SC)nc2c1c(=O)[nH]c(=O)n2C,CID660255,,,,0.0,,,,,,,,0.0,0.0,,,0.0,
C/C=C/CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C(C)C,CID5761858,,,,,,,0.0,,,,,,,,,,
CC(C)CCn1c(Br)nc2c1c(=O)n(CC(N)=O)c(=O)n2C,CID650519,0.0,,,,,,,,0.0,,,,,,,,
CCCCn1c(SCC(=O)OC)nc2c1c(=O)n(C)c(=O)n2C,CID647181,,,,,,,,0.0,,,,,,,,,0.0
CCNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C,CID742948,,0.0,,,,,,,,,,,,0.0,,,
C/C(Cl)=C/CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C(C)C,CID802770,,,,0.0,,,,,,,,0.0,,,,,
CCCCCCn1c(SCC(C)C)nc2c1c(=O)[nH]c(=O)n2C,CID645186,,,,0.0,,,,,,,,,,,,,
CCC(=O)OCCn1c(Br)nc2c1c(=O)[nH]c(=O)n2C,CID647322,0.0,,,,,,,,0.0,,,,,,,,0.0
Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2CCCO,CID658492,0.0,,,,,,,,0.0,,,0.0,,,,0.0,
CCC(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C,CID658127,,0.0,0.0,0.0,,,,,,,0.0,,,,,,
CC(C)Cn1cnc2c1c(=O)n(C)c(=O)n2C,CID65681,,,,,,,,,,,,,,,0.0,,
C=CCSc1nc2c(c(=O)n(C)c(=O)n2C)n1CC,CID648979,,0.0,0.0,,,,,,,0.0,0.0,0.0,0.0,,0.0,,
CCn1c(N)nc2c1c(=O)n(C)c(=O)n2C,CID225170,,0.0,,0.0,,,,,,,,,,,,,
CCCCCCn1c(SCCOC)nc2c1c(=O)[nH]c(=O)n2C,CID3151091,,0.0,0.0,,,,,0.0,,,,,,,,,
CC(C)OCCCNc1nc2c([nH]1)c(=O)n(C)c(=O)n2C,CID663837,,0.0,,0.0,,,,,,,,,,,,,
CCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CC,CID664781,,0.0,0.0,,,,,,0.0,,,0.0,,,,,
CC(C)Cn1c(=O)n(C)c(=O)c2[nH]cnc21,CID3758,,,,,,,,0.0,,,,,,,,,
Cn1cnc2c1c(=O)n(CC(O)CO)c(=O)n2C,CID101172,,,,,,,,,,,,,0.0,,,,
C/C=C/Cn1c(SC)nc2c1c(=O)[nH]c(=O)n2C,CID5742127,,,0.0,,,,,,,,,,,,,,
C=CC(C)n1c(Br)nc2c1c(=O)[nH]c(=O)n2C,CID657755,0.0,,,,,,,,0.0,,,,,,,,0.0
CC(C)n1c(SCC(N)=O)nc2c1c(=O)[nH]c(=O)n2C,CID654051,,0.0,,,,,0.0,,,0.0,,,0.0,,,,
CC(=O)OCCn1c(Br)nc2c1c(=O)[nH]c(=O)n2C,CID651957,0.0,,,,,,,,0.0,,,0.0,,,0.0,0.0,
CC(CCO)Nc1nc2c([nH]1)c(=O)n(C)c(=O)n2C,CID2962692,,0.0,,,,,0.0,,,,,,,,,,
CN(C)Cc1nc2c([nH]1)c(=O)n(C)c(=O)n2C,CID853496,,0.0,,,,,0.0,0.0,,,,0.0,,,,,
C/C(Cl)=C/Cn1c(SCC(C)C)nc2c1c(=O)[nH]c(=O)n2C,CID805886,0.0,,,,0.0,,,,,,,,,,,,
CCCCn1cnc2c1c(=O)[nH]c(=O)n2CCCC,CID350767,,,,,,,,,,,,0.0,,,,,
CC(C)Sc1nc2c(c(=O)n(C)c(=O)n2C)n1C,CID647469,,0.0,0.0,,,,,,,,,,,,,,
CCOC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C/C=C(/C)Cl,CID1232727,,,,,,,,,,,,,,,,,0.0
C/C(Cl)=C/Cn1c(NCCN(C)C)nc2c1c(=O)n(C)c(=O)n2C,CID1081338,,,0.0,,,,,,,,,0.0,,,,,
CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C/C=C(\C)Cl,CID5389041,,,,,,,,,,,,,,,,,0.0
CCCCOC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C/C=C(\C)Cl,CID5389043,,,,,,,,,,,,,,,,0.0,
CCCCn1cnc2c1c(=O)n(C)c(=O)n2C,CID70557,,0.0,,,,,,0.0,,,0.0,,0.0,0.0,,,
CC(C)Cn1c(NCCN(C)C)nc2c1c(=O)[nH]c(=O)n2C,CID651390,,,,0.0,,,,,,,,,,,,,
CCCCCCn1c(NCC)nc2c1c(=O)[nH]c(=O)n2C,CID652381,,,,0.0,,,,0.0,,,0.0,0.0,,,,,
COCc1nc2c([nH]1)c(=O)n(C)c(=O)n2CC(C)C,CID155806,,,,,,,,0.0,,,,,,,,,
CCCCCn1c(SCCOCC)nc2c1c(=O)[nH]c(=O)n2C,CID3151084,,0.0,0.0,,,0.0,0.0,0.0,0.0,,0.0,,,,,,
C=CCn1c(SCCOC)nc2c1c(=O)[nH]c(=O)n2C,CID3151081,,,,0.0,,,,,,,0.0,0.0,,,,0.0,
CCCCCCn1c(SCC(=O)OC)nc2c1c(=O)[nH]c(=O)n2C,CID3151088,,,0.0,0.0,,,,,0.0,,,,0.0,,,,0.0
Cn1c(=O)c2c(ncn2CC(O)CO)n(C)c1=O,CID688352,,,,0.0,,,,0.0,,,,,,,,,
COC(=O)C(C)Sc1nc2c(c(=O)n(C)c(=O)n2C)n1CCC(C)C,CID661520,,,,,,,,,,,,,,,,,0.0
CC(O)Cn1cnc2c1c(=O)n(C)c(=O)n2C,CID4977,,,,,,,,,0.0,,,,,,,,
CCOC(=O)Cn1c(=O)c2c(nc(Br)n2CC(=O)OCC)n(C)c1=O,CID657768,,,,,,,,,0.0,,,,,,0.0,,0.0
CNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCOC,CID652075,,0.0,0.0,0.0,,,,0.0,,,,,,,,,
CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C/C=C(/C)Cl,CID805900,,0.0,,0.0,,,0.0,,,,,,,,,,0.0
C/C=C/COc1nc2c(c(=O)n(C)c(=O)n2C)n1C,CID5739119,,0.0,,,,,,0.0,,,,0.0,0.0,,,,
Cn1cnc2c1c(=O)[nH]c(=O)n2C,CID5429,,0.0,0.0,,,,,0.0,0.0,,,,,,,0.0,
CCCCCCn1c(SCCCC)nc2c1c(=O)[nH]c(=O)n2C,CID651456,,,,,,,,,,0.0,,,0.0,,,,
C=CCn1c(SCC(=C)C)nc2c1c(=O)[nH]c(=O)n2C,CID700083,,0.0,,,,,0.0,,,,,,0.0,,,,
CCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCC,CID664016,,,,,,,,,0.0,,,,,,,,
CCC(C)Nc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC(C)C,CID652589,,,,0.0,,,,,,,,0.0,,,,,
CCCCn1c(NC(C)CC)nc2c1c(=O)[nH]c(=O)n2C,CID664732,,0.0,,0.0,,,,,,,,0.0,,,,,
COC(=O)Cn1c(=O)c2c(nc(Br)n2CC(=O)OC)n(C)c1=O,CID658783,,,,,,,0.0,,,,,,,,,,
C/C=C/CSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC,CID5761786,,,,,,,,,,,0.0,,,,,,
C=C(C)Cn1c(NCCC)nc2c1c(=O)n(C)c(=O)n2C,CID3146349,,0.0,,,,,,,,,,,0.0,,,,
C=CCn1c(NCCOC)nc2c1c(=O)n(C)c(=O)n2C,CID666297,0.0,,,0.0,,,,,,,,,,,,,
CCCCCn1c(SCC(=O)OC)nc2c1c(=O)[nH]c(=O)n2C,CID3148877,,0.0,0.0,0.0,,,,,,,,,,,,,
CCCCCn1c(SC(C)C(C)=O)nc2c1c(=O)[nH]c(=O)n2C,CID3148875,,,0.0,,,0.0,,,0.0,,0.0,,,,,,
C=CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1CC(=C)C,CID3148871,,,0.0,0.0,,,,,,,,,0.0,,,0.0,
CCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC(C)C,CID649960,,0.0,,,,,,,,,,0.0,,,,,
CCCCn1c(Cl)nc2c1c(=O)n(C)c(=O)n2C,CID611711,,,,0.0,,,0.0,,,0.0,,0.0,,,,0.0,
CCCn1c(=O)c2c(nc(Br)n2CCC)n(C)c1=O,CID658754,0.0,,,,,,,,0.0,,,0.0,,,,0.0,0.0
CC(C)CCn1c(NCCN(C)C)nc2c1c(=O)[nH]c(=O)n2C,CID650162,,,0.0,0.0,,,,,,,,0.0,,,,,
C#CCn1c(=O)c2c(ncn2C)n(C)c1=O,CID99562,,,,,,,,0.0,,,,,,,,,
CC(C)CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(O)COC(C)C,CID665647,,0.0,,,,,,,,,,,,,,,
CCCCn1c(NCCN(C)C)nc2c1c(=O)[nH]c(=O)n2C,CID663235,,,,0.0,,,,,,,,,,,,,
CCOCCCNc1nc2c([nH]1)c(=O)n(C)c(=O)n2C,CID1825553,,0.0,,,,,,,,,,,,,,,
C=CCn1c(Br)nc2c1c(=O)[nH]c(=O)n2C,CID649644,0.0,,,,,,,,0.0,,,0.0,,,0.0,,0.0
C=CCn1c(SCCC(=O)O)nc2c1c(=O)n(C)c(=O)n2C,CID648290,,,,,,,,,0.0,,,,,,0.0,,0.0
CCCCn1c(SCC(=O)OCC)nc2c1c(=O)[nH]c(=O)n2C,CID3126083,,,,,,,0.0,,0.0,,,,,,,,0.0
CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(C)C,CID719426,,0.0,,0.0,,,,,,,,,,,,,
CC(=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O,CID4740,0.0,,,,,,0.0,,,,,,,,,0.0,
C/C=C/Cn1c(Br)nc2c1c(=O)n(C)c(=O)n2C,CID5879555,,,,,,,,,,,,,,,,0.0,
CCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1CCC(C)C,CID656173,,0.0,,,,,,0.0,,,,,,,,,
COC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC(C)C,CID644963,,0.0,,0.0,,,,,0.0,,0.0,,,,,,0.0
C=C(C)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC(C)C,CID700091,0.0,0.0,,0.0,,,,0.0,,,,,,,,,0.0
CCCCn1c(NCCC)nc2c1c(=O)[nH]c(=O)n2C,CID663503,,0.0,,0.0,,,,,,,,0.0,,,,,
C=C(C)Cn1c(SCCCO)nc2c1c(=O)[nH]c(=O)n2C,CID652630,,,,0.0,,,0.0,0.0,,,,,,,,,
CCCn1c(OC)nc2c1c(=O)n(C)c(=O)n2C,CID975382,,,0.0,,,,,,0.0,,,,,,,0.0,
CCCCCn1c(SCCC(C)C)nc2c1c(=O)[nH]c(=O)n2C,CID654877,,0.0,,,,,,0.0,,0.0,,,,,,0.0,
C=CCn1c(NCCO)nc2c1c(=O)n(C)c(=O)n2C,CID647335,,0.0,,0.0,,,,,,0.0,,,,,,,
CCCCCCn1c(NCC)nc2c1c(=O)n(C)c(=O)n2C,CID659424,,0.0,,,,0.0,0.0,,,,,0.0,,,,,
C=CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CC,CID651485,,,0.0,0.0,,,,,,,,0.0,0.0,,,,
CCCC(=O)OCCn1c(Br)nc2c1c(=O)[nH]c(=O)n2C,CID651629,0.0,,,,,,,,0.0,,,0.0,,,,0.0,0.0
Cn1c(=O)c2[nH]cnc2n(C)c1=O,CID2153,,0.0,0.0,0.0,,,,,0.0,,,,,,,0.0,
C=C(C)Cn1c(SCC(=O)O)nc2c1c(=O)[nH]c(=O)n2C,CID746082,,,,0.0,,,,,,,,,0.0,,,0.0,0.0
CC(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C,CID657848,,0.0,,0.0,,,,,,0.0,,0.0,,,,,
CCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CC,CID3119974,,0.0,,0.0,,,,0.0,,,,,0.0,,,,
CC(C)CCNC(=O)Cn1c(NCCC(C)C)nc2c1c(=O)n(C)c(=O)n2C,CID1214212,,,,0.0,,,,,,,,,,,,,
C=CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C(C)C,CID652781,,0.0,,0.0,,,,0.0,,0.0,0.0,,0.0,,,,
CC(C)CCn1cnc2c1c(=O)n(C)c(=O)n2C,CID121034,,0.0,0.0,0.0,,,,,0.0,,,,,,0.0,,
CCOC(=O)C(C)n1cnc2c1c(=O)[nH]c(=O)n2C,CID3093806,,,,,,,,,0.0,,,,,,,,
CCCn1c(=O)[nH]c(=O)c2[nH]cnc21,CID1676,,,,0.0,,,0.0,,0.0,,0.0,,,,,,
CC(C)CCn1c(Cl)nc2c1c(=O)n(C)c(=O)n2C,CID3239845,,0.0,,,,,,,,0.0,,,,,,0.0,
CCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C,CID3767185,,,0.0,,,,,,,,0.0,,0.0,,,0.0,
Cn1c(=O)c2c(nc(NCCO)n2C)n(C)c1=O,CID22780,,,,0.0,,,,,,0.0,,,0.0,,,,
COC(=O)C(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC(C)C,CID644509,,,0.0,,,,,0.0,,,,,,,,,
C=CCn1c(N(C)C)nc2c1c(=O)[nH]c(=O)n2C,CID700071,,0.0,0.0,0.0,,,,0.0,,,,,,,,,
CCN(CC)CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C/C=C(/C)Cl,CID1084934,0.0,0.0,,0.0,,,0.0,,,,,,,,,0.0,
COCCn1c(CCC(=O)O)nc2c1c(=O)[nH]c(=O)n2CC(C)C,CID2997801,,,,,,,,,,,,,0.0,,,,
CCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1CCC,CID3725884,,0.0,0.0,0.0,,,,,,,,,,,,,
CCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C,CID96606,,0.0,,,,,,,,0.0,,,,,,,0.0
C/C(Cl)=C/Cn1c(SC(C)C)nc2c1c(=O)[nH]c(=O)n2C,CID805877,,0.0,,,,,,,,,,,,,,,0.0
CCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C,CID255754,,0.0,,0.0,,,,0.0,0.0,,,,,,,,
CCCCCn1c(Br)nc2c1c(=O)n(CC(N)=O)c(=O)n2C,CID655639,0.0,,,,,,,,0.0,,,,,,,0.0,0.0
C#CC(C)(C)NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCC,CID3547597,,,0.0,,,,0.0,,,,,,,,,,
C/C=C/Cn1c(Br)nc2c1c(=O)[nH]c(=O)n2C,CID5389035,0.0,,,,,,,,,,,,,,,0.0,
CC(C)Cn1c(Br)nc2c1c(=O)n(CCC#N)c(=O)n2C,CID657824,0.0,,,,,,,,0.0,,,,,,0.0,0.0,0.0
CCCn1cnc2c1c(=O)n(CCCCC(C)=O)c(=O)n2C,CID4938,,,,,,,,0.0,,,,,,,,,
CCCCCCn1c(N(CC)CC)nc2c1c(=O)[nH]c(=O)n2C,CID653173,,,,,,0.0,,,,,,,,0.0,,,
C=C(C)Cn1c(NCCOC)nc2c1c(=O)[nH]c(=O)n2C,CID648171,,0.0,,,,,,,,,,,,,,,
CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C,CID650468,,,,,,,0.0,,,,,0.0,0.0,,,,0.0
Cn1c(=O)c2c(ncn2CCO)n(C)c1=O,CID1892,,0.0,,,,,,,,,,,,,,,
CCCCN(CCCC)CCNC(=O)Cc1nc2c(c(=O)[nH]c(=O)n2C)n1C,CID2965246,,,,,,,,,,,,,0.0,,,,
CCCCCn1c(SCCCC)nc2c1c(=O)[nH]c(=O)n2C,CID655551,,,,,,,,0.0,,0.0,0.0,,0.0,,,,
COC(=O)c1ccccc1NC(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O,CID1100019,,,,,,,,,0.0,,,,,,,,
CC(=O)c1cccc(NC(=O)CN(c2ccccc2)S(C)(=O)=O)c1,CID654201,,,0.0,0.0,,0.0,0.0,,0.0,0.0,,,,,,0.0,
CC(=O)Nc1ccc(NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1,CID1319508,0.0,,0.0,,0.0,,,,0.0,,,,,,,,0.0
COC(=O)c1ccc(C)c(NC(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)c1,CID1321151,,,,,,,,0.0,,0.0,0.0,,,,,0.0,
COc1ccc(NCC(=O)Nc2ccc(Cl)cc2C)c(OC)c1,CID725347,,,0.0,,,,0.0,,,,,,,,,0.0,0.0
COc1ccccc1NC(C)C(=O)Nc1ccc(C(C)=O)cc1,CID4193540,,,,,,,,,,,,,,0.0,,,
CCc1ccccc1NC(=O)CN(c1cccc(OC)c1)S(C)(=O)=O,CID1095124,,,0.0,,,,0.0,,0.0,,0.0,,0.0,,,,
CS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1)c1ccccc1Cl,CID1364364,,,,,,,,,,,,,,0.0,,,
CSc1cccc(NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)c1,CID1308148,,,,,,0.0,,,,0.0,,,,,0.0,,
CCOc1ccccc1N(CC(=O)Nc1ccccc1C(=O)OC)S(C)(=O)=O,CID1100108,,,,,,0.0,,,,,,,,,,0.0,
CCN(CC)S(=O)(=O)c1ccc(C)c(NCC(=O)Nc2ccc(C#N)c(Cl)c2)c1,CID4884618,,,,,,,,,,,,,,,0.0,,
COc1ccc(N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(C)(=O)=O)cc1OC,CID1317142,,,,,0.0,,,,,,0.0,,,,,,
Cc1ccccc1N(CC(=O)Nc1ccccc1C(=O)O)S(C)(=O)=O,CID1339266,,,0.0,0.0,0.0,,,,0.0,,,,0.0,,,0.0,
COc1ccc(N(CC(=O)Nc2cccc(SC)c2)S(C)(=O)=O)cc1,CID1293648,,,0.0,,0.0,0.0,0.0,,,0.0,,,0.0,,0.0,,
Cc1cccc(NC(=O)CNc2cc(C)ccc2C)c1,CID2530291,,,,,,,0.0,,,,,,,,,,0.0
CC(=O)c1cccc(NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)c1,CID1310735,,,,,,,,,,0.0,,,0.0,0.0,,,
COc1cccc(N(CC(=O)Nc2cccc(C(C)=O)c2)S(C)(=O)=O)c1,CID1312386,,,,0.0,,0.0,0.0,,0.0,0.0,,,,,0.0,0.0,
COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1SC)S(C)(=O)=O,CID2209121,,,,,,,,,0.0,,,,,,,,
CC(=O)c1cccc(N(CC(=O)Nc2ccc(F)cc2F)S(C)(=O)=O)c1,CID1254961,,,,,,,,,,0.0,,,,,,,
Cc1cccc(C)c1NC(=O)CNc1ccccc1,CID684324,0.0,0.0,0.0,,,,0.0,,,,,0.0,0.0,,,,
COc1ccc(N(CC(=O)Nc2cc(OC)ccc2OC)S(C)(=O)=O)cc1,CID1102298,,,,0.0,,,,,,0.0,,,,,,0.0,
CSc1cccc(NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)c1,CID1312376,,,,,,,0.0,,,,,,0.0,,0.0,,
CSc1ccccc1NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O,CID2211568,,,0.0,,0.0,,0.0,,,0.0,0.0,,,0.0,,,
CCOC(=O)c1ccccc1NC(=O)CN(c1ccccc1OC)S(C)(=O)=O,CID1321523,,,,,,,,0.0,,0.0,,,,,,,
COc1ccccc1N(CC(=O)Nc1c(C)cccc1C)S(C)(=O)=O,CID1318662,,,,,,,,,0.0,0.0,0.0,,,,,,
Cc1ccccc1NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O,CID846451,,,,,,,,0.0,,0.0,,,0.0,,,,0.0
CSc1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C,CID1255479,,,,,0.0,,0.0,,0.0,,0.0,,,,0.0,,
CCC(C)NC(=O)c1ccccc1NC(=O)C(C)N(c1ccccc1)S(C)(=O)=O,CID2943592,,0.0,,0.0,,,,,,,,,0.0,,,,
CC(=O)c1cccc(NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)c1,CID1210875,,,,,,,,0.0,,0.0,,0.0,,,,,
CCc1ccc(NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc1,CID892813,,,,,,,,,0.0,,,,,,,,
Cc1cccc(NCC(=O)Nc2cccc(C)c2C)c1C,CID2494887,0.0,,,,,,,,,,,,,,,0.0,
COc1ccccc1NC(=O)CN(c1ccccc1F)S(C)(=O)=O,CID1306940,,,,,,,0.0,,,0.0,,0.0,,0.0,,,0.0
CN(C)S(=O)(=O)N(CC(=O)Nc1ccccc1)c1ccccc1,CID967669,,,,,,,,,0.0,,,,,,,,
Cc1ccc(F)cc1NCC(=O)Nc1ccc(Cl)cc1F,CID2517017,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC(=O)CNc2cccc(C)c2C)c(C)c1,CID2494879,0.0,,,0.0,,,,,,0.0,,0.0,0.0,,,0.0,
COc1ccc(N(CC(=O)Nc2ccccc2SC)S(C)(=O)=O)cc1OC,CID2208130,,,,,0.0,,,,,0.0,0.0,,0.0,,,,
CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(F)c(F)c1)c1ccccc1,CID2222131,,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C,CID1294200,,,,0.0,,,0.0,0.0,0.0,,0.0,,,,,0.0,0.0
CCOC(=O)c1ccccc1NC(=O)CN(c1ccccc1OCC)S(C)(=O)=O,CID1338917,,,,,,0.0,,0.0,,,,,,,,0.0,
COC(=O)c1ccccc1NC(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O,CID1203947,,,,,,,,,,0.0,,,,,,,
COc1ccc(OC)c(NC(=O)CN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)c1,CID655066,0.0,,,,,,,,,,,,,,,,
O=C(CNc1ccccc1)Nc1ccc(F)cc1,CID725348,,,,0.0,,,,0.0,,,,,,,,,
COc1cccc(NC(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)c1,CID1099967,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)c(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)c(C)c1,CID2231602,,,,,,,,,,,0.0,,,,,,
CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccccc1,CID2983415,,,,,,,,,,,,,,,0.0,,
COc1ccc(C)cc1NC(=O)CN(c1ccccc1F)S(C)(=O)=O,CID2281378,,,,,,,0.0,,,0.0,,0.0,,,,,0.0
Cc1ccccc1N(CC(=O)Nc1ccc(F)cc1)S(C)(=O)=O,CID801874,,,,,,,,,,0.0,,,0.0,,,,
COc1ccc(C)cc1NC(=O)C(C)N(c1ccc(C)cc1)S(C)(=O)=O,CID2983301,,,,,,0.0,,,,,,,,,0.0,,
COc1ccc(OC)c(N(CC(=O)Nc2ccc(NC(C)=O)cc2)S(C)(=O)=O)c1,CID1314389,,,0.0,,0.0,,,0.0,0.0,0.0,,,,,,,
Cc1ccc(NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1,CID846448,,,,,,,0.0,0.0,,0.0,,,,,,,
CCOc1ccc(NCC(=O)Nc2ccc(C)cc2C)cc1,CID725335,0.0,0.0,,0.0,0.0,,,1.0,,,,0.0,,,,,
CSc1ccccc1NC(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O,CID2206036,,,0.0,,,,0.0,,,,0.0,,0.0,,,,
COC(=O)c1ccc(NC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)cc1,CID2205614,,0.0,,,,,,0.0,,,,,,,,0.0,
CC(=O)c1cccc(NC(=O)CN(c2ccccc2F)S(C)(=O)=O)c1,CID1309367,,,,,,,,,,,,0.0,,0.0,,,
CCOC(=O)c1ccccc1NC(=O)CN(c1ccccc1C)S(C)(=O)=O,CID998377,,,,,,0.0,,,0.0,,,,,,0.0,,
COc1ccc(NC(C)=O)cc1NC(C)C(=O)Nc1ccc(F)cc1,CID4879325,,,,,,,,,,,,,,0.0,,,
COc1ccc(NC(C)=O)cc1NC(C)C(=O)Nc1ccccc1F,CID3000198,,,,0.0,,,,,,,,,,,,,
CSc1cccc(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)c1,CID2229921,,,,,,0.0,,,,0.0,0.0,,,,0.0,,
CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1,CID2957814,,,,,,,,,,,0.0,0.0,,,,,
COc1ccccc1N(CC(=O)Nc1ccccc1C(=O)NCC(C)C)S(C)(=O)=O,CID1317737,,,0.0,0.0,0.0,,,0.0,0.0,,0.0,,0.0,,0.0,0.0,0.0
CS(=O)(=O)N(CC(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1Cl,CID4876025,,,,,,,,,,,,0.0,,,,,
CCCNC(=O)c1ccccc1NC(=O)CN(c1ccccc1OCC)S(C)(=O)=O,CID2206119,,,,,0.0,,0.0,0.0,0.0,0.0,0.0,,0.0,,0.0,,0.0
Cc1cc(C)cc(NCC(=O)Nc2c(C)cccc2C)c1,CID762947,0.0,,0.0,0.0,,,0.0,,,0.0,,,,,,0.0,
CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc1,CID989345,,,,,,,,,,,,,,,0.0,,
CS(=O)(=O)N(CC(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1,CID1352540,,,,,,,,,,0.0,,,,,,,
Cc1cccc(N(CC(=O)Nc2ccc(F)cc2)S(C)(=O)=O)c1,CID881515,,,,,,,,,,0.0,,0.0,,,,,
Cc1cccc(NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)c1,CID846944,,,,,,,,,,,,,,,0.0,,
CCOc1ccccc1N(CC(=O)Nc1ccc(C)cc1)S(C)(=O)=O,CID1204040,,,,0.0,,,0.0,,,,0.0,,,,,,
COc1ccc(C)cc1NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O,CID1335878,,,,,,,0.0,0.0,,,,0.0,,,,,0.0
CC(=O)Nc1ccc(NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc1,CID1316301,,,,,,,,,0.0,,,,,,,,
CCOc1ccc(NC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)cc1,CID1102371,,,0.0,,,0.0,0.0,,,,,,0.0,,,0.0,
CS(=O)(=O)N(CC(=O)Nc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1,CID2211623,,,,,,,,,,,,,,0.0,,,
CCC(C)NC(=O)c1ccccc1NC(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O,CID2943223,,,,,,,,,0.0,,0.0,,,,,,
CC(=O)c1ccccc1NCC(=O)Nc1ccc(C)cc1,CID3273324,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(NC(=O)CNc2ccc(C)cc2Cl)cc1,CID2524726,,,,,,0.0,,,,,,,,,,,
CN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccccc1,CID2451869,,,,,,,,,,,,0.0,,,,,
CCOc1ccc(N(CC(=O)Nc2ccccc2)S(C)(=O)=O)cc1,CID745831,,,0.0,0.0,,,0.0,0.0,0.0,,0.0,,,,,0.0,
CSc1cccc(NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)c1,CID2175049,,,0.0,,,0.0,,,,0.0,,,0.0,,,,
COc1ccc(Cl)cc1NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C,CID2947640,0.0,0.0,,,0.0,,,,0.0,0.0,,0.0,,,,,
CN(C)S(=O)(=O)N(CC(=O)Nc1cccc(F)c1)c1ccccc1,CID2239692,,,,,,,,,,0.0,,,,,,,
CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1,CID1295669,0.0,,,,0.0,,,,,,,,,,,0.0,
COc1ccc(NC(=O)CNc2ccc(C#N)cc2)cc1,CID2378409,,,,,,,,,,,,,,,0.0,,
Cc1ccc(N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(C)(=O)=O)cc1,CID1296291,,,,,,,,,,,,,,0.0,,,
Cc1cccc(N(CC(=O)Nc2ccccc2F)S(C)(=O)=O)c1,CID835197,,,,,,,,,,0.0,,,,,0.0,,
COc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1OC,CID1289244,,0.0,0.0,,,,0.0,,,,,,,,,,
COc1ccc(NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)c(OC)c1,CID1361027,,,,,,,,0.0,,,,,,,,0.0,
COc1ccc(NCC(=O)Nc2ccccc2C#N)cc1Cl,CID2496268,,,,,,,,,,,,,,,0.0,,
CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)cc1,CID1295615,,,,,0.0,,,,,,0.0,,,,,,0.0
COc1cccc(N(CC(=O)Nc2cccc(F)c2)S(C)(=O)=O)c1,CID1318929,0.0,,,,,,,0.0,,0.0,,,,0.0,,,0.0
COc1ccc(OC)c(N(CC(=O)Nc2ccccc2)S(C)(=O)=O)c1,CID645150,,,,0.0,,,,0.0,,,,,,,,0.0,
COc1ccc(Cl)cc1N(CC(=O)Nc1cccc(SC)c1)S(C)(=O)=O,CID1309437,,,,,,,,,0.0,,,,,,,,
COc1ccc(NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1OC,CID982966,,,,,,,,0.0,,,0.0,0.0,,,,,0.0
CC(=O)c1ccc(NC(=O)C(C)Nc2ccc(Cl)cc2)cc1,CID4880065,,,,,,,,,,,,,,,0.0,,
CC(=O)c1cccc(N(CC(=O)Nc2cc(C)cc(C)c2)S(C)(=O)=O)c1,CID1260920,,,,,,,,,,,,,,0.0,0.0,,
CS(=O)(=O)N(CC(=O)Nc1cccc(F)c1)c1cccc([N+](=O)[O-])c1,CID1309500,,,,,,,,,,,,,,0.0,,,
CN(C)S(=O)(=O)N(CC(=O)Nc1ccccc1C(F)(F)F)c1ccccc1,CID1255986,,,,,0.0,,0.0,0.0,,0.0,,,,,,,0.0
COc1ccccc1N(CC(=O)Nc1ccccc1C)S(C)(=O)=O,CID700392,,0.0,,0.0,,,,,0.0,,,,0.0,,,,
Cc1cccc(C)c1N(CC(=O)Nc1cccc(N(C)S(C)(=O)=O)c1)S(C)(=O)=O,CID2111546,,,0.0,,0.0,0.0,,,,,0.0,,,,,,
CCOc1ccccc1N(CC(=O)Nc1cc(OC)ccc1OC)S(C)(=O)=O,CID1100065,,,,,,,,,,0.0,,,,,,,
COc1cccc(N(CC(=O)Nc2ccccc2C)S(C)(=O)=O)c1,CID648327,,,0.0,0.0,,,,0.0,,,,,,,,0.0,
CS(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1F,CID1322799,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(N(CC(=O)Nc2ccc(OC)cc2)S(C)(=O)=O)cc1,CID654625,,,0.0,0.0,,,,,,,,,,,,0.0,
COc1cccc(NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)c1,CID1210630,,,0.0,,,,,0.0,,0.0,,0.0,,0.0,,,0.0
COc1ccc(C)cc1N(CC(=O)Nc1cccc(N(C)S(C)(=O)=O)c1)S(C)(=O)=O,CID1316898,,,,,0.0,,,,,,,,0.0,,,,
COc1ccc(N(CC(=O)Nc2cccc(SC)c2)S(C)(=O)=O)cc1Cl,CID1318940,,,,,,,,,0.0,,0.0,,,,,,0.0
Cc1cccc(N(CC(=O)Nc2ccc(CC#N)cc2)S(C)(=O)=O)c1,CID1288465,,,0.0,0.0,,,,,0.0,,,0.0,0.0,,,0.0,
COc1ccc(C)cc1NC(=O)CN(c1ccccc1)S(C)(=O)=O,CID882431,,,,,,,,,,,,,,,,0.0,0.0
COc1cccc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1,CID2272440,0.0,,,,0.0,,,0.0,,0.0,,,0.0,,,,
CCc1ccccc1N(CC(=O)Nc1cccc(N(C)S(C)(=O)=O)c1)S(C)(=O)=O,CID1314430,,,,,0.0,,0.0,,,,0.0,,0.0,,,,
COc1ccccc1N(CC(=O)Nc1ccc(F)c(F)c1)S(C)(=O)=O,CID1295484,,,0.0,,0.0,,,,,0.0,,,,,,,0.0
CC(C)CNC(=O)c1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C,CID2976794,,,,,,,,,,,,,,0.0,,,
CCc1ccc(N(CC(=O)Nc2ccc(OC)cc2OC)S(C)(=O)=O)cc1,CID1306962,,,,,,0.0,0.0,0.0,,,,,0.0,,0.0,,
CCOC(=O)c1ccccc1NC(=O)CN(c1cccc(OC)c1)S(C)(=O)=O,CID998772,,,,,,,,,0.0,0.0,,,0.0,,,0.0,
CN(C)S(=O)(=O)N(CC(=O)Nc1ccccc1F)c1ccccc1,CID2201623,,0.0,,,,,0.0,0.0,,,,,,0.0,,0.0,
COc1ccc(NC(=O)C(C)N(c2ccc(C)cc2)S(C)(=O)=O)c(OC)c1,CID2967875,,,,,,,,,,,,,0.0,,,,
COc1cccc(N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(C)(=O)=O)c1,CID1319182,,,0.0,0.0,0.0,,0.0,,,,,,0.0,,,,
COc1ccc(N(CC(=O)Nc2cccc(C(C)=O)c2)S(C)(=O)=O)cc1OC,CID1298423,,,,,,,,0.0,0.0,,,,,,,0.0,
CCOc1ccc(N(C(C)C(=O)Nc2ccc(OC)cc2)S(C)(=O)=O)cc1,CID2911976,,,,,0.0,,,0.0,,,,,,,,,
CCOc1ccccc1N(CC(=O)Nc1ccccc1C(=O)O)S(C)(=O)=O,CID1137123,,,,,0.0,,0.0,,0.0,0.0,,,,,0.0,0.0,
Cc1cc(C)cc(NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c1,CID1000057,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC(=O)CNc2cccc(C#N)c2)cc1Cl,CID2496260,0.0,,0.0,,,,0.0,,,0.0,,,0.0,,0.0,0.0,0.0
COc1ccc(NCC(=O)Nc2ccc(C#N)cc2)cc1Cl,CID2496265,,,,,,,,,,,,,,,0.0,,
COc1ccc(NC(=O)C(C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1,CID2969489,,,,,,,,,,,,,,0.0,,,
COc1ccccc1N(CC(=O)Nc1ccccc1C(=O)NC(C)C)S(C)(=O)=O,CID1318744,,,,,0.0,,0.0,,0.0,0.0,,,,,0.0,0.0,
CCCCNC(=O)c1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C,CID2223422,,,,,,,,,,,,,,,0.0,,
CCc1ccc(NC(=O)C(C)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)cc1,CID2998466,,,,0.0,,,0.0,,0.0,,,,,,0.0,,
COC(=O)c1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C,CID1318189,,,,,,,0.0,0.0,,,,,,,,,
CCOC(=O)c1c(NC(NC(C)=O)C(Cl)(Cl)Cl)sc(C(C)=O)c1C,CID3101955,,,,,,,,,,,,0.0,,,,,
CCC(C)NS(=O)(=O)c1cccs1,CID2880364,,,,,,,0.0,,,,0.0,,0.0,,,,
Cc1cc(C(=O)O)c(S(C)(=O)=O)s1,CID678408,,,,,0.0,0.0,,,,0.0,,,,,,,
CCS(=O)(=O)c1ccc(S(=O)(=O)CC)s1,CID678404,,,,,0.0,,,,0.0,,,,,,,,
CCSc1sc(CC)cc1C(=O)O,CID678400,,,,,,0.0,,,,,,,,,,,
COC(=O)c1cc(C(O)(C(=O)OC)C(F)(F)F)c(/N=C/N(C)C)s1,CID2997728,,,,,,,0.0,,,,,,,,,,
CCOC(=O)c1c(/N=C/N(C)C)sc(C(=O)OC)c1C,CID2999534,,,,,0.0,,0.0,,,,,,,,,,
COC(=O)c1sccc1N(C)S(C)(=O)=O,CID586788,,,,,,,,,,,,,,0.0,,,
CCCCOCCCNC(=O)c1cccs1,CID2287726,,,,,0.0,,,,,,,,,,,,
CCOC(=O)c1cc(CC)sc1NC(=O)CCC(=O)O,CID646237,0.0,0.0,,,,,,0.0,,,,0.0,,0.0,0.0,0.0,
O=C(O)CCCC(=O)OCCCCc1cccs1,CID2195172,,,,,,,0.0,,0.0,,,,,0.0,,,
COC(=O)CCCCCc1ccc(C(C)=O)s1,CID2173303,,,,,,,0.0,,,,,,,0.0,,,
CCC(=O)c1ccc(CCCCCC(=O)O)s1,CID2173301,,,,,,,0.0,,0.0,,,,,0.0,,,
C=CCNc1sc(C(=O)C(C)(C)C)c(N)c1C#N,CID2216908,,,,0.0,,,0.0,,,,,0.0,0.0,,,,
CCC(C)C(NC(=O)NCc1cccs1)C(=O)OC,CID663927,,,,,0.0,,0.0,,,,,,,,,,
CC(C)(C)S(=O)c1cccs1,CID784928,,,,,,0.0,,,,0.0,,,,,,,
C=CCNS(=O)(=O)c1sccc1/C=N/O,CID2053215,,,,0.0,,,,,,0.0,,,,,,,
CCOC(=O)N/N=C/c1sccc1C,CID777304,,,,,,,,,,,,,,0.0,,,
COCCNC(=O)c1ccc(C(=O)NCCOC)s1,CID2225831,,,,,,,0.0,,,,,,,,,,
CCC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)OC,CID644953,,,,,,,0.0,,0.0,,,,,,,0.0,
COC(=O)C(NC(=O)NCc1cccs1)C(C)C,CID663465,,,,0.0,0.0,,0.0,,,0.0,,,,,0.0,,
CN(C)CCNC(=O)c1ccc(Cl)s1,CID1246546,,,,0.0,,,,,,0.0,,,,,,,
CCOC(=O)c1sc(NC(=O)CN(CC)CC)c(C(=O)OCC)c1C,CID1182908,,,,,,,,,,0.0,,,,,,,
CC(C)(NO)/C(=N/O)c1cccs1,CID659797,,,,,0.0,,0.0,,,,,,,,,,
CCOC(=O)c1c(NC(=O)CC(C)C)sc(C(C)=O)c1C,CID903592,,,,,,,,,0.0,,0.0,0.0,,,,,
CCOC(=O)c1cc(CC)sc1N,CID78263,,,,,0.0,,,0.0,,,,,,0.0,,,
CCOC(=O)c1cc(CC)sc1NC(=O)COC,CID1180187,,,,,0.0,,,0.0,0.0,0.0,0.0,,,,,,
CCc1cc(C(=O)NCCN(C)C)cs1,CID1247079,,,,0.0,0.0,,0.0,,,,,,,,0.0,,
CCOC(=O)c1c(NC(=O)OC)sc(C(=O)N(C)C)c1C,CID887692,,,,,,,,0.0,,0.0,,,,,,,
CCOC(=O)c1sc(NC(=S)NC(=O)CC(C)C)cc1C,CID801011,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1c(CC(C)C)csc1NC(=O)C(C)C,CID916359,,,,,,0.0,,,,,,,,,,,
CN(C)/C=N/c1sccc1C(N)=O,CID2843557,,,,0.0,,,,,,,,,0.0,,,,
CCc1c(C)sc(NC(=O)CC#N)c1C#N,CID1245387,,,,,,,,,,,,,,,0.0,,
CCCCOCCCNC(=O)Cc1cccs1,CID2162137,,0.0,,,0.0,,0.0,,,,,,,,,,
CCOC(=O)c1sc(C(=O)OCC)c(OCCO)c1OCCO,CID3244390,,,0.0,,,,,,,,,,,,,,
COC(=O)Nc1sc(C(=O)N(C)C)c(C)c1C(=O)OC,CID5059458,,,,,,,,,,,,,,0.0,,,
O=C(O)CCCNS(=O)(=O)c1cccs1,CID1564102,,,,0.0,0.0,0.0,,,,,0.0,,,,,,
CCOC(=O)c1c(NC(=O)COC)sc(C(C)=O)c1C,CID733285,,,,0.0,,,,,0.0,,,0.0,,,,,
CCOC(=O)c1c(NC(=O)COC)sc(C)c1C,CID733289,,,,,,,,,0.0,,,,,,,,
CCCCCCCCCC(=O)N/N=C/c1ccc(C)s1,CID1739848,,,,,,,,,,,,,,,0.0,,
CCCCC(CC)CNC(=O)c1cccs1,CID2915198,,,,,0.0,,0.0,,,,,,,,,,
CC(C)OCCCNC(=O)CNC(=O)c1cccs1,CID3237893,,,,,0.0,,,,,,0.0,,,,,,
CSc1cc(/C=N/O)c(SC)s1,CID778795,,,,,0.0,,,,,,,,,,,,
CCOC(=O)NC(O)C(=O)c1cccs1,CID659899,,,,,0.0,,,,,,,,,,,,
NC(=O)NCc1cccs1,CID2799110,,,,,,,,,,,,,,,0.0,,
CN(C)CCCNS(=O)(=O)c1ccc(Cl)s1,CID2099187,,,,,,,,,,,,,,0.0,,,
CSCCC(NC(=O)NCc1cccs1)C(=O)O,CID664979,,,0.0,0.0,,0.0,0.0,,,0.0,,,,,0.0,,
NNC(=O)c1cc(Br)cs1,CID843260,,,,,,,,,,,,,,0.0,,,
Cc1c(C(N)=O)sc(N)c1C(=O)OC(C)C,CID602886,,,,,,,0.0,,,,,,,,,,
CC(C)(C)S(=O)(=O)c1ccc(S(=O)(=O)C(C)(C)C)s1,CID726435,,,,,,,,,0.0,,,,,,,,
CC(C)(C)NC(=O)c1sccc1C(=O)O,CID3236419,,,,,0.0,,,,,,,,,,,,
CN(C)CC(C)(C)CNS(=O)(=O)c1ccc(Cl)s1,CID2104271,,,,,,,,,,,,,,,0.0,,
Cc1sc(NC(=O)CCCC(=O)O)c(C#N)c1C,CID766685,,,,0.0,,,,,,,,,,,,,
CCN(CC)Cc1csc(C(N)=O)c1,CID804148,,,,0.0,0.0,,0.0,,,,,,,,,,
CCOC(=O)c1sc(C)c(C(=O)NCC(C)(C)CN(C)C)c1N,CID1911604,,,,,,,,,,,,,,,0.0,,
CN(Cc1ccc(Cl)s1)C(=O)CCl,CID2465947,,,,,,,,,,,,,,0.0,,,
CCOC(=O)CNC(=O)c1ccc(Cl)s1,CID2225367,,,,,,,,,,,,,,0.0,,,
CCc1c(C(=O)NNC(=S)NCC(C)C)csc1C,CID1767297,,,,,,,,,,,,0.0,,,,,
CCCc1cc(C(N)=O)c(NC(C)=O)s1,CID1246587,,,,,0.0,,0.0,0.0,,,,,0.0,,,,
CCCC(=O)Nc1sc(C(=O)OC)c(C)c1C(N)=O,CID3240315,,,,0.0,,,,0.0,,,,,,,,,
CC(=O)c1ccc(C#CC(C)(C)O)s1,CID662091,,,,,0.0,,,,,,,,,,,,
CC(=O)NC(C)C(=O)OCC(=O)c1ccc(Cl)s1,CID2997584,,,,0.0,,,,,,0.0,,0.0,0.0,,,,0.0
CC(=C/C(=O)O)/C=C/c1cccs1,CID761429,,,,,,,0.0,,,0.0,,,0.0,,,,
CCN(CC)C(=O)c1sc(N)c(C#N)c1C,CID673648,,0.0,,,,,,,,,,,0.0,,,,
CC(C)OCCCNC(=O)c1cccs1,CID2212554,,,,0.0,0.0,,0.0,,,,,,,,,,
CCOC(=O)c1c(N)sc(C(=O)N(C)C)c1C,CID735026,,,,0.0,0.0,0.0,0.0,,,,,,0.0,,,,
CCCNC(=O)Cc1ccsc1,CID2517958,,,,,0.0,,,,,,,0.0,,,,,
COC(=O)C(CCSC)NC(=O)NCc1cccs1,CID663481,,,,,,,0.0,,,0.0,,,,,,,
CCOC(=O)c1sc(/N=C/N(C)C)c(C(=O)OCC)c1C,CID2843805,,0.0,0.0,0.0,,,,,,,,,,,,,
O=C(O)CNS(=O)(=O)c1ccc(Br)s1,CID3242956,,,,,,,,,0.0,,,,,,,,
CC(=O)N/C(=C\c1ccc(Br)s1)C(=O)O,CID6209558,,,,,,,,,,,,,,0.0,,,
CC(C)C(NC(=O)NCc1cccs1)C(=O)O,CID664365,,,,,0.0,,0.0,,,,,,,,,,
CC(/C=C/c1cccs1)=C\C(=O)O,CID1736076,,,,,,,,,,0.0,,,,,,,
C=CCNC(=S)NNC(=O)c1csc(C)c1CC,CID1767843,,,,,,,,,,,,,,0.0,,,
CCc1sc(C(=O)NC)cc1Br,CID1245565,,,,,,,,,0.0,,,,,,,,
CCOC(=O)c1sc(SC)c(C(C)=O)c1C,CID722105,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1c(CC(C)C)csc1NC(C)=O,CID786596,,,,,0.0,,,0.0,,,,,,,,,
CC(C)Cc1ccc(/C(=N/O)C(=O)O)s1,CID6400928,,,,,,,,,,,0.0,,,,,,
CCNC(=S)NNC(=O)c1csc(CC)c1,CID4415447,,,,,,,,,,,,,,,0.0,,
CCOC(=O)/C(C#N)=C\c1ccc(CC)s1,CID678514,,,,,,0.0,,,,,,,,,,,
CC(C)CC(NC(=O)c1ccc(C#CC(C)(C)O)s1)C(=O)O,CID2954905,,,,,,,,,,,,,,,0.0,,
CCOC(=O)C/C(C)=N/NC(=O)c1cccs1,CID574174,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1c(N)sc(N)c1C(=O)OCC,CID840025,,,,,,,,,,,,,,0.0,,,
CCC(C)C(NC(=O)NCc1cccs1)C(=O)O,CID664318,,,,0.0,,,0.0,,,,,,,,,,0.0
COC(=O)CCC(=O)Nc1sc(C)c(C)c1C(N)=O,CID649731,,,,,,,0.0,,0.0,,,,,,,,
COC(=O)c1sccc1OC(C)C(C)=O,CID2764365,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1c(N)sc(C(C)=O)c1C,CID597279,,,,,,,,,,0.0,,,,,,,
COC(=O)/C=C(\C)NC(=O)c1cccs1,CID5310703,,0.0,,,,,,,,,,,,,,,
CCOC(=O)c1cc(C)sc1NC(=O)CCC(=O)O,CID831651,,,,,,,,,0.0,,,0.0,,,,,
CCOCCCNC(=O)c1cccs1,CID2180987,,,,,0.0,,,,,,,,,,,,
COC(=O)c1sc(NC(C)=O)c(C(=O)OC)c1C,CID657860,,0.0,0.0,,,,,0.0,0.0,,,,,,,,
COC(=O)c1sc(NC(=O)C(C)C)c(C(=O)OC)c1C,CID662211,,,,0.0,,,0.0,,0.0,,,,,,,,0.0
COC(=O)c1cc(C)sc1NC(=O)CCCC(=O)O,CID898151,,,,,,,,,0.0,,,0.0,,0.0,,,
CCOC(=O)C(NC(=O)N(C)C)(Nc1sc(C)c(CC)c1C#N)C(F)(F)F,CID551870,,,,,,,,,,,,,,0.0,,,
CCOC(=O)Nc1sc(C)c(C)c1C(=O)OCC,CID896721,,,,,,,,,,,,,,,0.0,,
CC(=O)Nc1ccc(NC(C)=O)s1,CID785593,,,0.0,0.0,0.0,,,,,,0.0,,,,,,
CCOC(=O)Nc1sc(C(=O)N(CC)CC)c(C)c1C(=O)OCC,CID2165590,,,,,,,,0.0,,,,,0.0,,,,
CCOC(=O)c1c(NC(N)=O)sc(C)c1C,CID671916,,,0.0,,0.0,,,0.0,,,,,,,,,
CC(C)C(NS(=O)(=O)c1ccc(Br)s1)C(=O)O,CID3241228,,,,,,,,,0.0,,,,,,,,
CCOC(=O)c1c(NC(=O)CC)sc(C(C)=O)c1C,CID648287,,,,0.0,,,,,0.0,,,,,,,,
CCOC(=O)c1c(NC(=O)CNCCO)sc(C)c1C,CID652693,,,,,,,0.0,,,,,,,,,,
O=C(O)c1csc(Br)c1Br,CID647650,,,,,,,,,,,,0.0,,,,,
CC(C)NC(=O)CCS(=O)(=O)c1ccc(Br)s1,CID3236148,,,,,,,,,0.0,,,,,,,,
COC(=O)c1c(NC(=O)CCCC(=O)O)sc(C)c1C,CID842600,,,,,,,,0.0,0.0,,,,,0.0,,0.0,
CC(NC(N)=O)C(=O)OCC(=O)NCc1cccs1,CID2448225,,,,,,,,,,,,,,,0.0,,
CC(C)NC(=O)Nc1cccs1,CID3245119,,,,,0.0,,,,,0.0,,,,,,,
CCC(=O)Nc1sccc1C(=O)OC,CID1245853,,,,,0.0,,,,,,,,,,,0.0,
CCCCNC(=S)NNC(=O)c1csc(C)c1,CID5172669,,,,,,,,,,,0.0,,,,,,
CCCc1cc(C(=O)OC)c(NC(=O)OCC)s1,CID1246423,,,,0.0,0.0,,0.0,,,,0.0,,0.0,,,,
CC(C)NC(=O)NC(=O)COC(=O)Cc1ccsc1,CID2998730,,,0.0,,,,0.0,,,,,,,,,,0.0
CCCCCC(=O)N/N=C/c1cccs1,CID2166862,,,,,,0.0,,,,,,,,,,,
COC(=O)c1sc(NC(=O)CC(C)C)c(C(=O)OC)c1C,CID873752,,,,,,,,,0.0,,,,,,,,
NC(=O)CCCCC(=O)OCCCc1cccs1,CID1736142,,,,,0.0,,0.0,0.0,,,,,,,,,
CCOC(=O)c1c(NC(=O)OC)sc(C(=O)N(CC)CC)c1C,CID874190,,,,,,,0.0,,,,,,,,,,
CCOC(=O)c1sc(NC(C)=O)cc1C,CID1215212,,,,,0.0,,0.0,,,,,,,,,,
COC(=O)c1c(N)sc(C(C)=O)c1C,CID961131,,,,,0.0,,,,,,,,,,,,
CCOC(=O)c1c(CC(C)C)csc1NC=O,CID759953,,,0.0,,0.0,0.0,,,,,,,,,,,
CCOC(=O)c1sc(NC(C)=O)c(C(=O)OCC)c1C,CID291812,,,0.0,0.0,,,,,0.0,,,,,,,,0.0
CCNC(=S)NNC(=O)c1csc(C(C)C)c1,CID1767171,,,,,,,,,,,0.0,,,,,,
CCc1cc(C(=O)OC)c(NC(=O)CCC(=O)O)s1,CID757003,,0.0,,,,,,,0.0,,,0.0,,,,,
CCc1cc(C(=O)OC)c(NC(=O)CCCC(=O)O)s1,CID757007,,,,0.0,,,,,0.0,,,,,0.0,,,
CC(=O)Nc1cc(NC(C)=O)c(CC(C)C)s1,CID791057,,,,0.0,0.0,,0.0,,,,,,,,,,
CCCCNC(=S)NNC(=O)c1csc(C(C)C)c1,CID5061369,,,,,,,,,,,0.0,,,,,,
CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1,CID2189062,0.0,,,,,,,,0.0,,0.0,,,,,,
CC(C)(C)C(=O)NC1CCN(S(=O)(=O)c2ccccc2F)CC1,CID652036,,,,,,,,,,0.0,,,,,,,0.0
O=S(=O)(c1cc(Cl)ccc1Br)N1CCCCC1,CID870722,,,,,,,,,0.0,,,,,,,,
COc1cc(S(=O)(=O)N2CCC(C(N)=O)CC2)c(C)cc1C,CID756572,,0.0,,,0.0,,0.0,,,,,,,,,0.0,
NC(=O)C1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1,CID2980753,,,,,,,,,0.0,,,,,,,0.0,
N#C/C(=N\Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C(N)=S,CID2426629,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(Br)c(OC)c2)C1,CID2983260,,,,,,,,,0.0,,,,,,,,
C=CCNC(=O)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1,CID2296299,0.0,,,,,,,,0.0,,,,,,0.0,0.0,
CN(C)CCCNc1cc(Cl)c(S(=O)(=O)N2CCCCC2)cc1C(=O)O,CID2192390,,,0.0,0.0,0.0,,,,0.0,,,0.0,0.0,,,,0.0
COC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1F,CID3238512,,,,,,,0.0,0.0,0.0,,,0.0,0.0,,,,
CC1CCN(S(=O)(=O)c2cccc(C(=O)O)c2)CC1,CID2842864,,,,,,,,,0.0,,,0.0,,,0.0,,
Cc1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)cc1,CID737840,,,,,,,,,,,,,,0.0,,,
CCCCCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1F,CID3240407,,,,0.0,,,,0.0,,,,,,,,0.0,0.0
CCCC(C)NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1,CID3156759,,,,,,,,,0.0,,,0.0,,,,,
CCOc1cc(S(=O)(=O)N2CCC(C(N)=O)CC2)ccc1F,CID934597,,,,,,,,,,0.0,0.0,,,0.0,,,
CC1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC(=O)C(C)(C)C)cc2)CC1,CID650491,,,,0.0,0.0,,,,,,,,0.0,,,,0.0
NC(=O)c1ccc(Br)c(S(=O)(=O)N2CCCCC2)c1,CID2843095,0.0,,,,,,0.0,,0.0,,0.0,,,0.0,,0.0,0.0
COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(C)C,CID1258440,,,,,,,0.0,,0.0,,,,,,,,0.0
O=S(=O)(c1ccc(Cl)cc1Br)N1CCCCC1,CID772156,,,,,,,,,0.0,,,,,,,0.0,
CCNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,CID655564,,,0.0,,,0.0,0.0,0.0,,0.0,,,,,,,
COc1ccc(S(=O)(=O)N2CCCCC2C(=O)O)cc1OC,CID3240637,,,,,,,0.0,,0.0,,,,,,,,
Cc1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)cc1C(=O)O,CID2951996,,,,,0.0,,,0.0,0.0,,,,0.0,,,,
CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)O)CC2)c1,CID2512509,,,,,,,,,,,,,,0.0,,,
COc1cc(S(=O)(=O)N2CCCCC2)c(OC)cc1Br,CID1143554,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(S(=O)(=O)N2CCCCC2)c(C)c1C,CID976573,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1,CID2904830,,,,,,,,,0.0,0.0,,,,,,,
CCOC(=O)C1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1,CID848330,,,,,,,,,,,,0.0,,,,,
CCOC(=O)C1CCN(S(=O)(=O)c2ccc(Br)c(OCC)c2)CC1,CID1258929,,,,,,,,,0.0,,,,,,,0.0,
Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1[N+](=O)[O-],CID2842628,,,,,,,,,,,,,,0.0,0.0,,
COC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1,CID737721,,,,,,,,,0.0,,,0.0,,,,,
CC(C)(C)C(=O)NC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1,CID646229,0.0,,,,0.0,,,,,0.0,,,,,,,
Cc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)c(C)c1C,CID975257,,,,,,,,,0.0,0.0,,,,0.0,,,
O=C(O)C1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1,CID2770157,,,,,,,,,0.0,,,,,,,,
CCOC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1,CID818681,,,,,,,,,0.0,0.0,,,,0.0,,,
CC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1,CID310129,,0.0,,0.0,,,,,,0.0,,,,0.0,,,
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCCCC1,CID796971,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(Br)cc1S(=O)(=O)N1CCC(C(N)=O)CC1,CID2378712,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2OC)CC1,CID1296916,,,,,,,,,,0.0,,,,,,,
CCOc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl,CID647466,,0.0,,,,,,,,0.0,,,,0.0,,,
COc1ccc(Cl)cc1S(=O)(=O)N1CCCC(C(=O)NCC(N)=O)C1,CID652597,,,,0.0,,,0.0,,,,,,,,,0.0,
CC(=O)c1ccc(S(=O)(=O)N2CCCCC2C(=O)O)cc1,CID3760804,,,,,,,,,,,,,,,0.0,,
C=CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1,CID2920725,,0.0,,0.0,,,0.0,0.0,,,,,,,,0.0,0.0
O=C(O)c1cc(S(=O)(=O)N2CCCCC2)ccc1F,CID3245251,,,0.0,,,,,,,,,,,,,,
COC(=O)c1cccc(S(=O)(=O)N2CCC(C)CC2)c1,CID793741,,,,,,,0.0,,0.0,,,,,0.0,0.0,0.0,
COC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2C(=O)O)cc1,CID2769963,,,,,,,,,,,,,,,0.0,,
COC(=O)Nc1ccc(S(=O)(=O)N2CCCC(C(=O)O)C2)cc1,CID2769964,,,,,,,,,,,,,,,0.0,,
CC(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1,CID767405,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(C)cc1S(=O)(=O)N1CCCCC1,CID935601,,,,,,,,0.0,,,,0.0,,0.0,,,
COCC(=O)NC1CCN(S(=O)(=O)c2ccc(C(=O)O)cc2)CC1,CID650684,,,,,0.0,,,,,,,,0.0,,,0.0,
COc1ccc(C)cc1S(=O)(=O)N1CCCCC1,CID775520,,0.0,,,,,,0.0,0.0,0.0,,,0.0,,,,0.0
COc1ccc(C)cc1S(=O)(=O)N1CCC(C)CC1,CID646254,,0.0,,,,,,,0.0,,,,,0.0,,,
CCOC(=O)CCC(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1,CID2139631,,,,,,,,,0.0,,,,,,,,
Cc1ccc(C(=O)NCC(=O)O)cc1S(=O)(=O)N1CCCCC1,CID655451,,,,0.0,0.0,,,,,0.0,,,,,,0.0,
C/C(N)=C(/C#N)C(=O)COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C,CID5742458,,,,,,,,,,,,,,,,,0.0
O=C(NCCO)c1cccc(S(=O)(=O)N2CCCCC2)c1,CID2329114,,,,0.0,,,,,0.0,0.0,,,,,,0.0,
COc1ccc(OC)c(S(=O)(=O)N2C(C)CCCC2C)c1,CID2896830,,,,0.0,,,,0.0,0.0,,,,,,,0.0,
COc1ccc(S(=O)(=O)N2CCCCC2)cc1,CID247209,,,,,,,,,0.0,,,,,0.0,,,
COC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1,CID2057603,,,0.0,,,,,0.0,0.0,,,0.0,,0.0,,0.0,
CCOC(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1,CID1090993,,,,,,,,,,,,,,0.0,,,
CCC(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1,CID3153112,,,,,,,,,,,0.0,,,,,,
O=S(=O)(c1cccc(Cl)c1Cl)N1CCCCC1,CID691910,,,,,,,,,,0.0,,,,,,,
CC(C)(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1,CID1276464,,,,,,,,,0.0,,0.0,,,0.0,,0.0,0.0
CCOC(=O)C1CCCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)C1,CID2999227,,,0.0,,,,,,0.0,,,0.0,,,,0.0,
CC1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1,CID2843138,,,,,,,,,,,,,,0.0,,,
O=C(O)CSCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1,CID661718,,,,,0.0,0.0,,,,,,,,,0.0,,
Cc1ccc(C(=O)O)cc1S(=O)(=O)N1CCC(C(=O)O)CC1,CID973068,,,,0.0,0.0,,,0.0,0.0,0.0,,0.0,0.0,,,0.0,
CCOC(=O)C1CCN(S(=O)(=O)c2ccc(OCC(=O)OC)cc2)CC1,CID1082976,,,,,0.0,,,0.0,,,,,,,,0.0,
CC(SCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)O,CID2997890,,,,,0.0,,,,0.0,0.0,0.0,,0.0,,,,
CC1CCN(S(=O)(=O)c2ccc(F)c(C(=O)O)c2)CC1,CID3235624,,0.0,,0.0,,,,0.0,0.0,,,0.0,,,,,
CCOc1cc(S(=O)(=O)N2CCCCC2)ccc1F,CID935619,,,,,,,,,,,,0.0,,,0.0,,
CCOC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1,CID1254423,,,,,,,,,,,,,,0.0,,,
COc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)N1CCCCC1,CID805424,,,,,,,,,,,,,,0.0,,,
CC(C)CCNC(=O)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1,CID2964488,,,,,,0.0,,,,,,,0.0,,,,0.0
CCOCCCNC(=O)C1CCCCN1S(=O)(=O)c1ccc(F)cc1,CID3238704,,,,,,0.0,,0.0,,,,0.0,0.0,,,,
CC(C)(C)C(=O)NC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1,CID3218828,,,,,,,,,,0.0,,,,,,,
COc1ccc(OC)c(S(=O)(=O)N2CCCC(C)C2)c1,CID3132625,,,,,,,,,0.0,,,,,,,,
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCOC(C)C)CC2)cc1,CID3156693,,,,,,0.0,,,,,,0.0,,,,,
CCOC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2OC)CC1,CID1256332,,,,,,,,,,,,,,,0.0,,
O=C(COC(=O)c1ccccc1S(=O)(=O)N1CCCCC1)NCC(F)(F)F,CID2609049,,,,,0.0,,,,,,,,0.0,,,,0.0
CCOc1ccc(OCC)c(S(=O)(=O)N2CCC(C)CC2)c1,CID775809,,,,,,,,,0.0,0.0,,,,0.0,,,
CCOC(=O)C1CCN(S(=O)(=O)c2ccc(NC(=O)OC)cc2)CC1,CID593548,,,,,,,,0.0,,0.0,,,0.0,,,,
NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1,CID767920,,0.0,,,0.0,,,,,,,,,,,0.0,
CCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1OC,CID763228,,,,,,,,,,,0.0,,,,,,
COc1cc(S(=O)(=O)N2CCCCC2)ccc1NC(C)=O,CID763226,,,,,,,,,,,0.0,0.0,,,0.0,,
CCc1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)cc1,CID723331,,,,,,,,,,,,,,,0.0,,
COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1Br,CID846306,,,,,,,,,,,,,,,,,0.0
Cc1c([N+](=O)[O-])ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)c1C,CID934815,,,,,,,,,,,,,,0.0,,,
NC(=O)C1CCCN(S(=O)(=O)c2ccccc2)C1,CID2975951,,0.0,0.0,0.0,,,,0.0,,,,,,,,,
COc1ccc(F)cc1S(=O)(=O)N1CCC(C(N)=O)CC1,CID850037,,,0.0,,,,,,,0.0,,,,0.0,,,
CC(C)NC(=O)NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1,CID2405133,,,,,,,,,,,,,,,0.0,,
CCOC(=O)CSCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1,CID2375385,,,,,,0.0,,,,0.0,0.0,,,,0.0,,
CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)OCC)CC2)cc1,CID651852,,,,0.0,0.0,,,,0.0,0.0,,,0.0,,0.0,0.0,0.0
CCOC(=O)C1CCN(S(=O)(=O)c2cc(Cl)c(C)cc2OC)CC1,CID1258272,,,0.0,,,,,,,,,,,,,,
CCOC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1,CID1075813,,,,,,,,,0.0,0.0,,,,0.0,,,
CCOc1ccc(OCC)c(S(=O)(=O)N2CCCCC2C)c1,CID652255,,,,,,0.0,0.0,0.0,0.0,,,,,,,,
Cc1ccc(S(=O)(=O)N2CCC(C)CC2)c([N+](=O)[O-])c1,CID2216028,,,,,,,,,,,,,,0.0,,,
COc1ccc(F)cc1S(=O)(=O)N1CC(C)CC(C)C1,CID2978550,,,,,,,,,,,0.0,,,,,,
CCOc1ccc(OCC)c(S(=O)(=O)N2CCCCC2)c1,CID647069,,0.0,,,,,,0.0,0.0,,,,,,0.0,,
COCCNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1,CID2295654,,,,,,,,0.0,,,,,,,,0.0,
COc1ccc(S(=O)(=O)N2CCCCC2)cc1Br,CID738615,0.0,,,,,,,,,,,,,,,0.0,0.0
CCOC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1,CID1168144,,,,,,,,,0.0,,,0.0,,0.0,,,
CCOC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OC)cc2)CC1,CID653545,,0.0,0.0,,0.0,,,0.0,,0.0,,,0.0,,,0.0,
CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(C)cc2)C1,CID2904514,,,,,,,,0.0,0.0,,,,,,,0.0,
CC1CCN(S(=O)(=O)c2cccc(C(N)=O)c2)CC1,CID646672,,0.0,,,0.0,,0.0,,,,,,,,,0.0,
CC1CCN(S(=O)(=O)c2cc(Cl)ccc2Br)CC1,CID1068610,,,,,,,,,0.0,,,,,,,,
CC1CCN(S(=O)(=O)c2ccc(Cl)cc2Br)CC1,CID1068611,,,,,,,,,,,,0.0,,,,,
CCOC(=O)Nc1ccc(OC)cc1S(=O)(=O)N1CCCCC1,CID2421093,,0.0,0.0,0.0,,,0.0,,,,0.0,,,,,0.0,
COc1ccc(S(=O)(=O)N2CCCCC2C(=O)O)cc1,CID2770162,,,,,,,,,0.0,,,,,,,,
COc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1,CID1088331,,0.0,,0.0,0.0,,,,,,0.0,,,,,0.0,
CCOC(=O)C1CCCN(S(=O)(=O)c2ccccc2)C1,CID2904534,,,,,,0.0,,,0.0,,,,,,,,
O=C(O)C1CCCCN1S(=O)(=O)c1ccccc1,CID2769957,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C1CCN(S(=O)(=O)c2ccc(CC)cc2)CC1,CID593546,,,,,,,,,,,,,,0.0,,,
O=S(=O)(c1ccc(F)cc1)N1CCCC(CO)C1,CID3245709,,,,0.0,,,,,,,,,0.0,,,,
COc1ccc(S(=O)(=O)N2CCCC(C(=O)O)C2)cc1Cl,CID2967474,,,,,,,,,,0.0,,,,,0.0,,
Cc1ccc(NC(=O)c2ccco2)cc1C,CID689600,,,,0.0,,0.0,0.0,0.0,0.0,0.0,0.0,,0.0,,,0.0,0.0
O=C(Nc1cccc(C(F)(F)F)c1)c1ccco1,CID306227,,,,0.0,,,,,0.0,,,,,0.0,,,
CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1,CID2214919,,,,,,,,,0.0,,0.0,,,,,,
CCC(=O)Nc1ccc(NC(=O)c2ccco2)c(OC)c1,CID874386,,,,,0.0,,0.0,,,,,,0.0,,,0.0,
Cc1cc(C(C)(C)C)oc1C(=O)Nc1ccc(CC(=O)O)cc1,CID778071,,,,,,0.0,,,0.0,,,,,,,0.0,
O=C(Nc1cc(SCCO)cc([N+](=O)[O-])c1)c1ccc(Br)o1,CID4377126,,,,,,,,,,,,,,,0.0,,
CC(C)(C)C(=O)COC(=O)c1cccc(NC(=O)c2ccco2)c1,CID654049,,,,0.0,,,0.0,,,,,,,,,0.0,
O=C(O)COc1ccc(NC(=O)c2ccco2)cc1,CID744534,,,,,,,,,,0.0,,,,,,,
COc1cc(OC)c(NC(=O)c2ccco2)cc1Cl,CID836314,0.0,0.0,,0.0,,,,,,,,,,,,0.0,
CCOC(=O)C(O)(c1ccc(NC(=O)c2ccco2)c(OC)c1)C(F)(F)F,CID657798,,,,,,,,,,,,,,,,,0.0
CCOc1cc(C#N)c(NC(=O)c2ccco2)cc1OCC,CID711856,,,0.0,,,,0.0,,,,0.0,0.0,,,,,
CCN(CC)c1ccc(NC(=O)c2ccc(Br)o2)c(C)c1,CID2211639,0.0,,,,,,0.0,,,,,,,,0.0,0.0,0.0
CC(=O)c1cccc(NC(=O)c2ccco2)c1,CID315777,,,,,,,,0.0,0.0,,,,0.0,,,,
CNC(=O)c1ccccc1NC(=O)c1ccco1,CID1081843,,,,,,,,,,,,0.0,,,,,
CCOc1cc(NS(=O)(=O)CC)c(OCC)cc1NC(=O)c1ccco1,CID647850,,,,,,0.0,0.0,,0.0,,,,,,,,
CCCCC(=O)NC(=S)Nc1cccc(NC(=O)c2ccco2)c1,CID1718171,,,,,,,,,,,,,,0.0,,,
O=C(O)CNC(=O)c1ccccc1NC(=O)c1ccco1,CID650495,,0.0,,,0.0,,,,,,,0.0,,,,,
CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccco2)c1,CID2193377,,0.0,,,,,,,,0.0,,,0.0,,,0.0,0.0
CC(C)C(NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)O,CID3237308,,,0.0,0.0,,,,0.0,0.0,,,,,,,,
CC(=O)N(C)c1ccc(NC(=O)c2ccco2)cc1,CID670719,,,0.0,,,,,,,0.0,,0.0,,,,0.0,
COC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1,CID2233483,0.0,,,,,,0.0,,0.0,,0.0,,,,,,0.0
CCC(=O)Oc1ccc(NC(=O)c2ccco2)cc1,CID1250934,,,,,,,,,,,,,,0.0,,,
Cc1c(NC(=O)c2ccc(Br)o2)cccc1C(=O)O,CID973206,,,,,,,,,0.0,,,0.0,,,,,
COc1cc(NC(=O)c2ccco2)ccc1NC(=O)C(C)C,CID934914,,,,,,,,,0.0,0.0,,0.0,,,0.0,,
CC(C)OC(=O)c1ccc(NC(=O)c2ccco2)cc1,CID725423,,,,,,,,,0.0,,0.0,,,,,,
CC(C)(C)c1ccc(C(=O)Nc2ccc(CC(=O)O)cc2)o1,CID778068,,,,,,,,,0.0,,,,,,0.0,,
Cc1ccc(C(=O)Nc2ccc(O)c(C(=O)O)c2)o1,CID788751,,,,,0.0,,,,,0.0,,,,0.0,,,
CC(C)(C)NC(=O)c1cccc(NC(=O)c2ccco2)c1,CID3132050,,,,,,,,,0.0,0.0,,0.0,,,,,
O=C(Nc1ccc(F)cc1F)c1ccco1,CID755472,,,,,,,,,,,,,,,,,0.0
CCC(=O)NC(=S)Nc1cccc(NC(=O)c2ccco2)c1,CID884505,,,,,,,,,,,,,,0.0,,,
COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C)c(C)o1,CID895428,,,,,,,,,,,,,,0.0,,,
COc1cc(NC(=O)c2ccc(Br)o2)c(C(=O)O)cc1OC,CID1288970,,,,,,,,,,,,,,,,,0.0
CCOCCOC(=O)c1ccc(NC(=O)c2ccco2)cc1,CID1553911,,,,,,0.0,,,,,,,,,,,
CC(C)(C)c1ccccc1NC(=O)c1ccco1,CID2998424,,,0.0,0.0,,0.0,,0.0,0.0,,0.0,,,,,0.0,
CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(Br)o2)c1,CID1286189,0.0,,,,,,,,,,,,,,0.0,0.0,0.0
CCCCC(=O)Nc1cccc(NC(=O)c2ccc(Br)o2)c1,CID2189197,0.0,,,,,,,,0.0,,0.0,,,0.0,,,0.0
O=C(Nc1cccc(OC(F)(F)F)c1)c1ccc(Br)o1,CID1348179,0.0,,,,,,0.0,,0.0,,,,,,,,
CCN(CC)c1ccc(NC(=O)c2ccco2)cc1,CID675057,,0.0,,0.0,0.0,0.0,0.0,,,,,,,,,,
Cc1cc(O)c(NC(=O)c2ccc(Br)o2)cc1C,CID738691,0.0,,,,,,,,,,,,,,,,0.0
Cc1ccoc1C(=O)Nc1ccc(CC(=O)O)cc1,CID774798,,,,,,,,,0.0,0.0,,0.0,,,,,
CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1,CID1083376,,,,,,,,,0.0,,,,,0.0,,,
CC(C)CC(=O)NC(=S)Nc1ccc(NC(=O)c2ccco2)cc1,CID884011,,,,,,,,,,,,,,0.0,,,
CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(Br)o2)c1,CID1287120,0.0,,,,,,,,,,,,,,,0.0,0.0
CCN(CC)c1ccc(NC(=O)c2ccc(Br)o2)cc1,CID738269,0.0,,,,,,0.0,,0.0,,0.0,,,,0.0,0.0,
CCN(CC)c1ccc(NC(=O)c2ccco2)c(C)c1,CID959441,,,,0.0,0.0,,0.0,,,0.0,0.0,0.0,,,,,
N#CCCN(C(=O)c1ccco1)c1ccccc1,CID660925,,,,,,,0.0,0.0,0.0,0.0,,,,,,,
Cc1cc(C(=O)Nc2cccc(C(=O)O)c2)oc1C,CID781047,,,,,,,0.0,0.0,,,,,0.0,,,,
Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])o1,CID843604,,,,,,,,,,,,,,,0.0,,
COc1cc(C(=O)OCC(=O)N(C)C)cc(NC(=O)c2ccco2)c1OC,CID2105065,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccccc1C(=O)O)c1ccc(Br)o1,CID836514,,,,,,,,,,,,0.0,,,,,
CCOc1ccc(NC(=O)c2ccco2)cc1,CID711236,,,0.0,,,,0.0,0.0,,,,,0.0,,0.0,,
Cc1ccc(C(=O)Nc2ccc(CC(=O)O)cc2)o1,CID800730,,,,,,,,,0.0,,0.0,,,0.0,,,
COc1ccc(NC(=O)c2ccc(Br)o2)c([N+](=O)[O-])c1,CID2862503,,,,,,,,,,,,0.0,,,,,
Cc1cc(C(=O)Nc2ccccc2)oc1C,CID1040061,,,,,,0.0,,,0.0,0.0,0.0,,,,,,
CC(=O)Nc1ccc(NC(=O)c2ccco2)cc1,CID747784,0.0,,,0.0,,,,,,0.0,,,,,,,
CCc1cccc(NC(=O)c2ccc(Br)o2)c1,CID874470,0.0,,,,,,0.0,,,,,0.0,,,,0.0,0.0
COC(=O)c1cccc(NC(=O)c2ccco2)c1,CID721357,,,,,,,,,0.0,0.0,,,,,0.0,,
N/C(=N\O)c1ccc(NC(=O)c2ccc(Br)o2)cc1,CID2952851,0.0,,,,,,,,,,,,,,,,
CCCCCC(=O)N/N=C(\C)c1ccc(NC(=O)c2ccco2)cc1,CID2862438,,,,,,,,,,,,0.0,,,,,
CCCCOc1ccccc1NC(=O)c1ccco1,CID1568315,,,,,,,,,0.0,,0.0,,0.0,,,0.0,
COc1cc(NC(=O)c2ccc(Br)o2)ccc1NC(=O)C(C)C,CID1048411,0.0,,,,,,0.0,,0.0,,,0.0,,,,0.0,0.0
Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccco1,CID2859569,,,,,,,,,,,,,,,0.0,,
COc1cc(NC(=O)CC(C)C)ccc1NC(=O)c1ccco1,CID807336,0.0,,0.0,,,,0.0,,0.0,,,,,,,,
O=C(Nc1c(F)cc(F)cc1Br)c1ccco1,CID1244098,,,,,,,0.0,,,,,,,,,,
COC(=O)c1ccc(NC(=O)c2ccco2)cc1,CID764313,,,,,,0.0,,,0.0,0.0,,,,,0.0,0.0,
Cc1cc(O)c(NC(=O)c2ccco2)cc1C,CID880574,,,,0.0,0.0,,,0.0,,0.0,,0.0,0.0,,,,
COc1cc(OC)c(NC(=O)c2ccc(Br)o2)cc1Cl,CID1298334,0.0,,,,,,0.0,,,,,,,,0.0,,
COc1ccc(Cl)cc1NC(=O)c1ccco1,CID310139,,,,0.0,,,,,,,,,0.0,,,0.0,0.0
COC(=O)c1ccccc1NC(=O)c1ccco1,CID310138,,,,,,0.0,,0.0,0.0,,,,0.0,,0.0,,
COc1ccc(NC(=O)c2ccco2)cc1N,CID652588,,,,0.0,0.0,,,,,,,,,,,,
COc1ccccc1NC(=O)c1ccc(Br)o1,CID765363,0.0,,,,,,0.0,,0.0,,,0.0,,,0.0,0.0,0.0
COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(Br)o1,CID988894,0.0,,,,,,,,,,0.0,0.0,,,,,0.0
COc1ccc(NC(=O)c2ccco2)c(OC)c1,CID565184,,0.0,,,,,,0.0,,0.0,,,,0.0,,0.0,
COc1cc(C(=O)OCC(C)=O)cc(NC(=O)c2ccco2)c1OC,CID2569500,,,,,,,,,,,,,,,0.0,,
CCCC(=O)Nc1ccc(NC(=O)c2ccco2)c(OC)c1,CID654343,0.0,0.0,0.0,,,,,,0.0,,,0.0,0.0,,,,
O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccco1,CID684592,,,,,,,,,,,,,,0.0,,,0.0
COc1cc(NC(=O)c2ccc(COCC(F)(F)F)o2)cc(OC)c1OC,CID1091778,,,,,,,,,,,,,,,,0.0,
CCC(=O)NC(=S)Nc1ccc(NC(=O)c2ccco2)cc1,CID823733,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1C,CID756083,,,,,,,,,,,,,,,0.0,,
CCCOC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1,CID1787417,,,,,,,,,,,,,,,0.0,,
CC(=O)Nc1cccc(NC(=O)c2ccco2)c1,CID765352,,,,,,,0.0,,,,,,,,,,
O=C(Nc1ccc(Br)c(Cl)c1)c1ccco1,CID681252,,,,,,,,,,,,,,,,,0.0
CCCCCOC(=O)c1ccc(NC(=O)c2ccco2)cc1,CID646882,,,,,,,,,0.0,,,0.0,,,,,
CCCCCC(=O)NC(=S)Nc1ccc(NC(=O)c2ccco2)cc1,CID1718149,,,,,,,,,,,,,,0.0,,,
CSc1ccccc1NC(=O)c1ccc(C)o1,CID1245751,,,,0.0,0.0,,0.0,,,,,,,,,0.0,0.0
O=C(Nc1ccc(Br)cc1)c1ccco1,CID531895,,,,,,,,,0.0,,,0.0,,,,,
CSc1cccc(NC(=O)c2ccco2)c1,CID2877875,,,,0.0,0.0,,0.0,,,0.0,,,,,,,
COC(=O)C(O)(c1ccc(NC(=O)c2ccco2)c(OC)c1)C(F)(F)F,CID657780,,,,,,,,,,,,,,,,,0.0
CCOc1ccc(N(CC(=O)NC(C)(C)C)C(=O)c2ccco2)cc1,CID646588,,0.0,0.0,,,,,0.0,0.0,,,,0.0,,,,
COc1cc(NC(=O)C(C)C)ccc1NC(=O)c1ccco1,CID650589,0.0,,,,0.0,,,0.0,0.0,,,0.0,,,,0.0,0.0
CC(=O)Nc1cccc(NC(=O)c2ccc(C)o2)c1,CID1246759,0.0,0.0,,,,,,,,,,0.0,,,,,0.0
CCC(=O)Nc1ccc(NC(=O)c2ccco2)cc1,CID655147,,0.0,,,,0.0,0.0,,,,,0.0,,,,,
Cc1ccc(O)c(NC(=O)c2ccco2)c1,CID2878765,,,,0.0,0.0,,,0.0,,0.0,,,0.0,,,,
CCC(C)C(NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)O,CID649925,,,,,,,0.0,0.0,,0.0,,,0.0,,,,
CSc1ccccc1NC(=O)c1ccc(Br)o1,CID728835,,,,,,,,,,,,,,0.0,,,
COC(=O)c1cc(Cl)c(NC(=O)c2ccco2)cc1OC,CID682580,,,,0.0,,,,,,,,,,0.0,,0.0,
CC(C)c1ccc(NC(=O)c2ccc(Br)o2)cc1,CID803330,,,,,,,,,,,,0.0,,,,,
COc1cccc(NC(=O)c2ccco2)c1,CID669405,,,,,,,0.0,,,0.0,0.0,,0.0,,,0.0,
CC(C)c1ccccc1NC(=O)c1ccco1,CID669409,,,0.0,0.0,,,0.0,,0.0,,,,,,0.0,0.0,
CCOc1cc(Cl)c(NC(=O)c2ccco2)cc1OCC,CID852880,,,,,,,,,,,,,,0.0,,,
CC(NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)O,CID649880,,0.0,0.0,,,,,,,,,,0.0,,,,0.0
COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccco1,CID948750,,,,,0.0,,0.0,,,0.0,,,,0.0,,,
Cc1ccc(C(=O)Nc2ccccc2C(N)=O)o1,CID887801,,0.0,0.0,0.0,0.0,,0.0,0.0,,,,0.0,,,,,
COc1ccc(N(CC(=O)NC(C)(C)C)C(=O)c2ccco2)cc1,CID649059,,,0.0,0.0,,,0.0,,0.0,,,0.0,,,,0.0,0.0
CCNC(=S)Nc1cc(OC)c(NC(=O)c2ccco2)cc1OC,CID856866,,,,,,,,,,,,,,,0.0,,
CN(C)c1cccc(NC(=O)c2ccco2)c1,CID2320402,,,,,,,,,,,,,,,0.0,,
CC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1,CID773718,0.0,,,,,,0.0,,,,,,,,,0.0,0.0
O=C(Nc1ccccc1F)c1ccc(Br)o1,CID773714,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1cccc(NC(=O)c2ccco2)c1,CID732101,,,,,,,,,,,,,,0.0,0.0,0.0,
CC(=O)c1cc(C(=O)Nc2ccccc2C(=O)O)oc1C,CID653170,,0.0,0.0,,,,,,,,0.0,,,,,,
CC(C)CNC(=O)c1cccc(NC(=O)c2ccco2)c1,CID847245,,,,,,,,,0.0,0.0,,,,,,,
CSc1ccccc1NC(=O)c1ccco1,CID723997,,,,0.0,0.0,,0.0,,,,,,0.0,,,,
CCN(CC)C(=O)COC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1,CID2559432,,,,,,,,,,,,,,,0.0,,
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)o1,CID844405,,,,,,,,,,,,,,,0.0,,
Cc1ccc2cc(CNC(C)C)c(=O)[nH]c2c1,CID662476,,,,0.0,,,0.0,,,,,0.0,,,,,
CNC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12,CID2365518,,,,,,,,,,,,,,0.0,,,
CCOc1ccc2[nH]c(=O)c(CN(CCCO)C(C)=O)cc2c1,CID654772,,,,,,0.0,,,,,,,0.0,,,,0.0
Cc1cc(=O)[nH]c2c(C)c(N)ccc12,CID333984,,,,,,0.0,0.0,,,,,0.0,,,,,0.0
CCN(Cc1cc2ccccc2[nH]c1=O)C(=O)C(C)C,CID663692,,,,,,,,,,,,0.0,0.0,,,0.0,
Cc1ccc2[nH]c(=O)c(CNC(C)(C)C)cc2c1,CID664957,,,,,,,0.0,,,,,,,,,,
CCCC(=O)NCCc1cc2cc(C)c(C)cc2[nH]c1=O,CID3242159,,,,,,,0.0,0.0,,,,,,,,,0.0
Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)CC(C)(C)C)cc12,CID3399627,,,,,,,0.0,,,,,,,,,,
Cc1cc2cc(CCNS(C)(=O)=O)c(=O)[nH]c2cc1C,CID3239437,,0.0,,,,,,,,,,,,,,,
CCNCc1cc2cc(C)ccc2[nH]c1=O,CID663640,,,,0.0,,0.0,0.0,,,0.0,0.0,,,,,,
CCCc1c(C)c2cc(C)ccc2[nH]c1=O,CID767435,,0.0,0.0,,,,0.0,0.0,,,,,,,,0.0,
CCC(=O)NCCc1cc2cc(C)c(C)cc2[nH]c1=O,CID3245532,,,,0.0,,,,,,,0.0,,,,,,
CCCCOC(=O)c1cc(=O)[nH]c2ccccc12,CID660495,,,0.0,0.0,,,,0.0,,,0.0,,,,,0.0,
CCS(=O)(=O)NCCc1cc2c(OC)ccc(OC)c2[nH]c1=O,CID3241102,,,,,,,,0.0,,,,,,,,,
COc1ccc2cc(CCNC(=O)C(C)(C)C)c(=O)[nH]c2c1,CID3296992,,,,,,,,,,0.0,,,,,,,
CCOC(=O)CSc1cc(=O)n(CC)c2ccccc12,CID6621092,,,,,,,,,,,,,,0.0,,,
CC(C)COC(=O)c1cc(=O)[nH]c2ccccc12,CID827787,,,,,,,,0.0,,,0.0,,0.0,,,0.0,
Cc1cc(=O)[nH]c2c(C)c(Cl)ccc12,CID888640,,,0.0,,,,,,,,,,,,,,
Cc1cc(=O)[nH]c2cc(Cl)ccc12,CID75680,0.0,,,,,,,,,,,,,0.0,,0.0,0.0
CCCC(=O)NCCc1cc2ccc(C)c(C)c2[nH]c1=O,CID3567340,0.0,,,,,,,,,,,,,,,,
CC(C)(C)NCc1cc2ccccc2[nH]c1=O,CID664785,,,,0.0,,,0.0,0.0,,0.0,,0.0,,,,,
CCOCCCN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=O)N(CC)CC,CID648529,,,0.0,,,,,,,,,,,,,,
CCOC(=O)COc1cc(=O)n(CC)c2ccccc12,CID3243604,,,0.0,,,0.0,,,0.0,,,,,,,,
O=c1cc(CNCCCO)c2ccccc2[nH]1,CID665199,,,,0.0,0.0,,0.0,,,,,0.0,0.0,,,,
CCC(CC)C(=O)NCCc1cc2c(OC)ccc(OC)c2[nH]c1=O,CID3236002,0.0,,,,,,,,0.0,,,,,,,,
CCCS(=O)(=O)NCCc1cc2cc(C)c(C)cc2[nH]c1=O,CID3238180,,,0.0,0.0,,,,,,,0.0,,,,,,
CCCc1c(C)c2cccc(C)c2[nH]c1=O,CID767426,,,,0.0,,,0.0,,,,,,,,,0.0,0.0
COc1ccc2cc(CCNC(=O)C(C)C)c(=O)[nH]c2c1,CID4983647,0.0,,,,,,,,,,,,0.0,,,,
CC(C)C(=O)N(Cc1cc2ccccc2[nH]c1=O)C(C)C,CID663913,,,,0.0,0.0,0.0,,0.0,,,,,,,,,
CCCS(=O)(=O)NCCc1cc2ccc(OC)cc2[nH]c1=O,CID4994889,,,,,,,,,,,,,,,,0.0,
Cc1cc(=O)n(CCC(=O)O)c2ccccc12,CID666041,,,0.0,,,,,,,,,,,,0.0,,
Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)C(C)C)cc12,CID4580960,,0.0,0.0,,,,,0.0,,,,,0.0,,,,0.0
CCCCNc1c(C(=O)OCC)c(=O)[nH]c2ccccc12,CID652591,0.0,,0.0,0.0,,,0.0,0.0,,,,,0.0,,,0.0,
CC(=O)Oc1cccc2ccc(=O)[nH]c12,CID268240,,,,,,0.0,,,,,,,,,,,
CCCOC(=O)c1cc(=O)[nH]c2ccccc12,CID649303,,,,,,,0.0,0.0,,,,,,,,0.0,
CC(=O)NCCc1cc2ccc(C)cc2[nH]c1=O,CID3240109,,,,0.0,,0.0,,,,,,,0.0,,,,
CCS(=O)(=O)NCCc1cc2cc(C)c(C)cc2[nH]c1=O,CID3238291,,0.0,,0.0,,0.0,,0.0,,,0.0,,0.0,,0.0,,
CCCCC(=O)NCCc1cc2ccc(OC)cc2[nH]c1=O,CID3243645,0.0,,,,,,,,,,,,0.0,,,,
CCCCCNc1c(C(=O)OCC)c(=O)[nH]c2ccccc12,CID658249,,,,0.0,,,,,,0.0,,,,,,,
CC(C)OC(=O)c1cc(=O)[nH]c2ccccc12,CID649586,,,,,,,,,,,,0.0,,,,,
CCCS(=O)(=O)NCCc1cc2c(OC)ccc(OC)c2[nH]c1=O,CID3240343,,,0.0,,,,,,,,,,,,,,
Cc1ccc2cc(CCNC(=O)C(C)(C)C)c(=O)[nH]c2c1,CID4110127,,,,,,,0.0,,,,,,,,,,
CCC(=O)NCCc1cc2ccc(C)c(C)c2[nH]c1=O,CID5111059,,,,0.0,,,,0.0,,,,,,,,,
CCC(=O)N(CCO)Cc1cc2ccc(C)c(C)c2[nH]c1=O,CID653692,,,,0.0,,0.0,,,,,,,,,,,
CCS(=O)(=O)NCCc1cc2ccc(C)cc2[nH]c1=O,CID3243103,,,,,,,,0.0,,,,,,,,,
COCCNC(=O)COc1cc(=O)n(C)c2ccccc12,CID3245491,,,,,,,0.0,,,,,,,,,,
CCNC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12,CID2432384,,,,,,0.0,,,,,,,,,,,
CCCCCOC(=O)c1cc(=O)[nH]c2ccccc12,CID660585,,,0.0,,,,,0.0,,,,0.0,,,,,
Cc1cc2cc(CCNC(=O)C(C)C)c(=O)[nH]c2cc1C,CID3243714,0.0,,,,,,,,0.0,,,,,,,,
CCC(CC)C(=O)NCCc1cc2cc(C)c(C)cc2[nH]c1=O,CID4169669,,,,,,,,0.0,,,0.0,,,,,,
Cc1cccc2cc(COC(=O)C(C)C)c(=O)[nH]c12,CID664123,,,,0.0,,,,0.0,,,,0.0,,,,0.0,
CC(C)CCNC(=O)CCCOc1cc(=O)n(C)c2ccccc12,CID3243989,,,,,,0.0,,,,,,,0.0,,,,0.0
COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)CC(C)C)cc12,CID3237216,,,,,,,0.0,,,,,0.0,0.0,,,,
COCc1cc(=O)[nH]c2cc(NC(=O)C(C)(C)CCl)c(C)cc12,CID4671908,,,,,,,,,,,,0.0,,,,,
CC(C)C(=O)N(Cc1cc2ccccc2[nH]c1=O)C(C)(C)C,CID663619,,,0.0,,0.0,0.0,0.0,0.0,,,,,0.0,,,0.0,
CCC(=O)NCCc1cc2ccc(C)cc2[nH]c1=O,CID3247968,,,,,,,,0.0,,,,,,,,,
CCCN(Cc1cc2cccc(C)c2[nH]c1=O)S(C)(=O)=O,CID2221974,,,,,,,,,,,,,,,0.0,,
CC(=O)N(CCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O,CID646944,,,,0.0,,0.0,,,,,,,,,,,
COc1ccc(OC)c2[nH]c(=O)c(CCNC(C)=O)cc12,CID4163284,,,,,0.0,,,0.0,,,,,,,,0.0,
CCn1c(=O)cc(OCC(=O)NCCC(C)C)c2ccccc21,CID5308920,,,,,,,,,,0.0,,,,,,,
CCCS(=O)(=O)NCCc1cc2ccc(C)cc2[nH]c1=O,CID3236577,,,,,,,0.0,,,0.0,0.0,,,,,,
Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)CC(C)C)cc12,CID3413533,,,,0.0,,,,,,,,,,,,,
CCCCCCNc1c(C(=O)OCC)c(=O)[nH]c2ccccc12,CID658207,,,,,,0.0,,,,,,,,,,0.0,
CCN(CC)c1c([N+](=O)[O-])c(=O)n(C)c2ccccc12,CID2863862,,,,,,,,,,,,,,,0.0,,
CCCCNC(=O)CSc1cc(=O)n(C)c2ccccc12,CID3240307,,,,,0.0,,,0.0,,,,,,,,,
CC(=O)OCc1cc2cc(C)ccc2[nH]c1=O,CID664543,,,0.0,,,,,,,,0.0,,,,,0.0,
CNCc1cc2ccc(C)cc2[nH]c1=O,CID664663,,,,0.0,,,0.0,,,,,,,,,0.0,
COC(=O)c1c(N)c2ccccc2[nH]c1=O,CID658173,,,,0.0,0.0,,0.0,,,,,,,,,,
COc1cc(=O)n(C)c2c(OCC(O)C(C)(C)O)cccc12,CID2837663,,,,,,,,0.0,,,,,,,,,
CCC(CC)C(=O)NCCc1cc2ccc(C)c(C)c2[nH]c1=O,CID6324586,,,,,,,,,,,,,0.0,,,,
CC(=O)NCCc1cc2ccc(C)c(C)c2[nH]c1=O,CID6324584,,,,,,,,0.0,,,,,,,,,
Cc1ccc2cc(CCNC(=O)CC(C)(C)C)c(=O)[nH]c2c1C,CID6324582,,,0.0,,,,,0.0,,,,,0.0,,,,
COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)C(C)(C)C)cc12,CID6324583,,,0.0,,,,,,,,0.0,,,,,,
Cc1ccc2cc(CCNC(=O)C(C)C)c(=O)[nH]c2c1C,CID6324588,,,,,,,,0.0,,,,,,,,,
Cc1cc(=O)[nH]c2ccccc12,CID69088,,,,,,,,,,,0.0,,,,,,
CCC(=O)N(Cc1cc2ccccc2[nH]c1=O)C(C)C,CID664630,,,0.0,,,,,0.0,,,,,0.0,,,0.0,
CCn1c(=O)cc(OCC(=O)O)c2ccccc21,CID3245179,,,,0.0,,0.0,,,,,,,,,,0.0,
CCC(CC)C(=O)NCCc1cc2c(C)ccc(C)c2[nH]c1=O,CID4574729,,0.0,,,,,,,,,0.0,,,,,,0.0
CC(=O)NCCc1cc2cc(C)c(C)cc2[nH]c1=O,CID3240947,,,,0.0,,,,0.0,,,,,,,,,
COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)C(C)C)cc12,CID3348973,0.0,,,,,,,,,,,,,,,,
CC(=O)Oc1ccc2c(C)cc(=O)[nH]c2c1,CID600284,,,,,,,,0.0,,,,,,,,,0.0
CCCC(=O)NCCc1cc2ccc(OC)cc2[nH]c1=O,CID3244272,0.0,,,,,,,0.0,,0.0,0.0,,,,,,
COc1cc(=O)n(C)c2cc(N(C)C)ccc12,CID660402,,,0.0,,,,,0.0,,,,0.0,,,,0.0,
CC(=O)OCc1cc2cccc(C)c2[nH]c1=O,CID663615,,,,,,,,0.0,,,,,0.0,,,0.0,
CCCc1c(C)c2ccccc2[nH]c1=O,CID768516,,,,,,,0.0,,,,,,,,,0.0,0.0
CC(=O)CCc1c(C)c2cc(C)ccc2[nH]c1=O,CID646516,,,,,,,,,,,,,,,,0.0,
Cc1cccc2cc(COC(=O)C(C)(C)C)c(=O)[nH]c12,CID663763,,0.0,0.0,,,,,,,,,,,,,0.0,
CCCC(=O)NCCc1cc2c(C)ccc(C)c2[nH]c1=O,CID4119232,,0.0,,,,,0.0,0.0,,,,,,,,,
CCC(CC)C(=O)NCCc1cc2ccc(C)cc2[nH]c1=O,CID4278224,,0.0,0.0,0.0,,,,,,,,,,,,,
COc1ccc2cc(CCNC(=O)CC(C)(C)C)c(=O)[nH]c2c1,CID3235912,0.0,,,0.0,,,,0.0,,,,,,,,,
CCC(CC)C(=O)NCCc1cc2ccc(OC)cc2[nH]c1=O,CID3242428,0.0,,,0.0,,,,,,,,,,,,,
CC(C)N(Cc1cc2ccccc2[nH]c1=O)C(=O)C(C)(C)C,CID665112,,0.0,,,0.0,,,0.0,,,,,,,,0.0,
O=C(O)c1cc(=O)[nH]c2c(Cl)cccc12,CID670543,,,,,,,,,,,,,,0.0,,,
CCCCN(CC)C(=O)CSc1cc(=O)n(C)c2ccccc12,CID3235598,,,0.0,,,,,,,,,,,,,,
CN(Cc1cc2ccccc2[nH]c1=O)S(C)(=O)=O,CID667315,,,,0.0,,,0.0,0.0,,,,,,,,,
CCCN(Cc1cc2cc(C)ccc2[nH]c1=O)S(C)(=O)=O,CID666351,,,,,,0.0,,0.0,,,,,0.0,0.0,,,
COc1c(N)c2ccccc2[nH]c1=O,CID3237852,,,,,,,,0.0,,,,,,,,,
CC(=O)CCc1c(C)c2cccc(C)c2[nH]c1=O,CID790340,,,,,,,,,,,,,,,,0.0,
Cc1ccc2cc(CCNC(=O)CC(C)C)c(=O)[nH]c2c1,CID4461053,,,,,,,,0.0,,,,,,,,,
Cc1ccc2cc(CN(C)S(C)(=O)=O)c(=O)[nH]c2c1,CID1872777,,,,,,,,,,,,,,,0.0,,
Cc1cc2cc(CCNC(=O)CC(C)(C)C)c(=O)[nH]c2cc1C,CID4300145,,,,,,,,0.0,,,,,,,,,0.0
Cc1ccc2[nH]c(=O)c(CNC(C)C)cc2c1,CID664882,,,,0.0,,,0.0,,,0.0,,,,,,,
Cc1cc2c(C)c(C)c(=O)[nH]c2cc1N,CID1480771,,,,,,,,,,,,0.0,,,,,
CCCCC(=O)NCCc1cc2c(OC)ccc(OC)c2[nH]c1=O,CID3244295,0.0,,,,,,,,,,,,0.0,,,0.0,
Cc1ccc2c(c1)c(C)cc(=O)n2CCC(=O)O,CID648600,,,,,,0.0,,0.0,,,,,,,,0.0,
CCC(=O)OCc1cc2cccc(C)c2[nH]c1=O,CID663849,,,0.0,,,0.0,,,,0.0,,,0.0,,,0.0,0.0
CCN(CC)C(=O)Oc1cc(=O)n(C)c2ccccc12,CID824966,,,,,,,,,,,,,,0.0,,,
Cc1ccc2cc(CNC(C)(C)C)c(=O)[nH]c2c1,CID662793,,,,0.0,,,0.0,,,0.0,,,,,,,0.0
Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)C(C)(C)C)cc12,CID4986340,,,,,,,,,,,,,,,,,0.0
CCCCC(=O)NCCc1cc2c(C)ccc(C)c2[nH]c1=O,CID3613031,,,,,,,,,,,,,0.0,,,,
CSc1ccc2[nH]c(=O)cc(C)c2c1,CID653661,,,,,0.0,,,,,,0.0,,,,,,
CCCCc1c(C)c2cc(C)ccc2[nH]c1=O,CID2058362,,,,,,,,,0.0,,0.0,,,,,,
CC(C)N(O)C(=O)NC(C)(C)C,CID657541,,,,0.0,,,,,,,,,,,,,
CCCCOCCCNC(=O)NC(CC(C)C)C(=O)O,CID664107,,,,,,,,0.0,,,,0.0,,,,,
CCCCOCCCNC(=O)NC(CCSC)C(=O)OC,CID663696,,0.0,,,,,0.0,,,,,,0.0,,,,
CCCCNC(=O)OCC(CC)NC(=O)OCC(C)C,CID3136028,,,,,,0.0,,,,,,,,,,,
CC(=O)NCCSCCNC(C)=O,CID2053712,,,,,,,,,,,,,,,0.0,,
COCCCNC(=O)CCCC(=O)NCCCOC,CID2930983,,,,,,,0.0,,,,,0.0,,,,,
COC(=O)CNC(=O)CCCCC(=O)NCC(=O)OC,CID3243567,,,,,,,0.0,,,,,,,,,,
CN(C)CC#CCOCCOCCC#N,CID659875,,,0.0,,,,,0.0,,,,,,,,,0.0
CCC(/C=N/NC(=O)C(N)=O)CC,CID4646780,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C(CO)(NC(C)=O)C(=O)OCC,CID235997,,,,,,,,0.0,,,,,,,,,
C=CC/N=C(\NC#N)SCC(=O)NC(C)(C)C,CID660494,,,,0.0,,,,,,,,0.0,,,,,
COC(=O)CCCCCC(CCC(=O)OC)NC(C)=O,CID2832717,,,,,,,,,,,0.0,,,,,,
CCCCCCC(N)CC(=O)O,CID2832746,,,,,,,,,,0.0,,,0.0,,0.0,,0.0
CCCC(N)CCCCCC(=O)O,CID2832749,,,,,,,,0.0,,,,,,,,,
C/C(NO)=C(\CN(C)C)N=O,CID5389332,,,,,,,,0.0,,,,,0.0,,,0.0,
CCCC(C)(C)NC(=O)CCCCC(=O)NC(C)(C)CCC,CID651353,,,,,,,0.0,0.0,,,,,,,,,
O=C(O)CS(=O)(=O)CC(=O)O,CID261524,,,,,,,,,,,,,,0.0,,,
CN(C)CCCNCCCNC(=O)/C=N/O,CID6802642,,,,,,,,,0.0,,,,,,,,
CC(=O)N(CCCN(C)C)CCC(C)CCC=C(C)C,CID3742911,,,,,,,,,,,,,0.0,,,,
CC(C)=CCC/C(C)=C/CN(CC(C)O)CC(C)O,CID5721730,,,,0.0,,,,0.0,,,,,,,,,
CC(=O)NCCCCCCNC(C)=O,CID3616,,,,,,,0.0,0.0,,,,,,,,,
COCCNC(=O)CCCC(=O)NCCOC,CID2165605,,,,,,,,,,,,,,0.0,,,
CC(C)CC(NC(=O)NC(C)C)C(=O)O,CID663650,,,,,,,,0.0,,0.0,,,0.0,,,,0.0
CC(C)(/C=N/O)N([O-])/C=C/[N+](=O)C(C)(C)/C=N/O,CID5389010,,,,,,,,0.0,,,,,,,,,
COC(=O)C(O)(NC(=O)NC(C)=O)C(F)(F)F,CID657912,,,,,,,,,0.0,,,,,,,,
COC(=O)C(C(=O)OC)=C(/C=C/N(C)C)N(C)C,CID2272916,,,,,,,,,,,,,,0.0,,,
C/C(=C\C(=O)O)CC(=O)O,CID1551553,,,,,,,0.0,0.0,,,,,,,,,
CC(NC(=O)NCCCC(=O)O)(C(F)(F)F)C(F)(F)F,CID659749,,,,,,,,,0.0,,,,,,,,
CC(=O)OC(C)(CCC(C)(OC(C)=O)C(C)=O)C(C)=O,CID4225644,,,,,,,,0.0,,,,,,,,,
C#CCC(CC#C)(C(=O)OC)C(=O)OC,CID1546804,,,,,,0.0,,,,,,,,,,,
CCC(=O)NCCCCNC(=O)CC,CID2167047,,,,,,,,,,,,0.0,,,,,
COCCCNC(=O)C(F)(F)C(F)(F)C(=O)NCCCOC,CID2933513,,,,,,,,,,,,,,,,,0.0
CCCNC(=O)NC(CCSC)C(=O)OC,CID2022387,,,,,,,,,,,,,,0.0,,,
CCN(CC)CC#CC(C)OCOCC#CCOC,CID2916195,,,,,,,,0.0,,,,,,,,,
CC(C)CC(=O)NNC(=O)C(C)C,CID1756352,,,,,,,,,,,,,,,0.0,,
CCOC(=O)NCC(C#CCN(CC)CC)N(CC)CC,CID660391,,0.0,,,,,,,,,,,,,,0.0,
C=CCN(CC=C)C(=O)CCCCC(=O)N(CC=C)CC=C,CID2931250,,0.0,0.0,0.0,,,,,,,,,,,,,
CC(=O)/C(C)=N/O,CID6409633,,,,,,,,0.0,,,,,,,,,
CCN(CC)CCN/C(C)=C(\C#N)C(N)=O,CID657530,,,,,,,,0.0,,,,0.0,,,,,
CC(CNC(=O)C(C)C)NC(=O)C(C)C,CID2931018,,,,,,,,,,,0.0,,,,,,
CSCCC(NC(=O)OC(C)(C)C)C(=O)NC(CC(C)C)C(N)=O,CID654757,,,,0.0,,,,,,,,,,,,,
CN(C)CCCCNCCCNC(=O)/C=N/O,CID6806142,,,,,,,,,,,,0.0,,,,,
CCC(CO)NCCNC(CC)CO,CID3279,,,,,,,,,0.0,,,,,,,,
C=CCNC(=O)NC(CCSC)C(=O)OC,CID664057,,,0.0,,0.0,,,,,,,,,,0.0,,
COC(=O)/C(C(C)=O)=C(\C=C\C=C\N(C)C)N(C)C,CID1897249,,,,0.0,,,,,,,,,,,,0.0,
C/C(NCCN(C)C)=C(/C#N)C(N)=O,CID659061,,,,0.0,,,0.0,,,,,0.0,,,,,
CC(C)=CCC/C(C)=C/CC/C(C)=N/O,CID5310845,,,,,,,,,,,,0.0,,,,,0.0
CCCCC(O)(C(NC=O)C(=O)OC)C(F)(F)F,CID3000193,,,,,,,,,0.0,,,0.0,,,,,
CN(C)CCCCCNCCCNC(=O)/C=N/O,CID6419296,,,,,,,,0.0,,,,,,,,,
C=CCN(CC=C)C(=O)CCCC(=O)N(CC=C)CC=C,CID2931700,,,,0.0,,,,,,,,,,,,,
CCC(C)C(NC(=O)OC(C)(C)C)C(=O)NC(CC(C)C)C(N)=O,CID647801,,,,,,,,,,,,,0.0,,,,
CCOC(=O)CN/C(C)=C(/C#N)C(N)=O,CID660099,,,,,,,0.0,,,0.0,,,0.0,,,,
CCCC(=O)NCCSC,CID2245988,,,,0.0,0.0,,0.0,,,0.0,,,0.0,,,,
CCCC(NC(=O)CNC(=O)C(C)(C)C)C(=O)O,CID658623,,,,,,,,,,,,0.0,,,,,
CN(C)C(=O)/N=N/C(=O)N(C)C,CID5353800,,,,,,,,0.0,,,,,,,,,
O=C(O)CCSCCC(=O)O,CID8096,,,,,,,,,,,,,,0.0,,,
CC(C)C(CO)NC(=O)CC(=O)NC(CO)C(C)C,CID2911778,,,,,,,,,,,,,0.0,,,,
CC(C)/N=C(\NC#N)SCC(=O)NC(C)(C)C,CID660681,,,,,,,,,,,,,0.0,,,,
CC(C)(C)NC(=S)/N=C(\N)N[N+](=O)[O-],CID3778535,,,,,,,,,,,,,,0.0,,,
CCO/C=C/C(=O)N(C)CCC#N,CID1911034,,,,,,,,,,,,,,,,0.0,
CCCCC(=O)NC(=S)NNC(=O)CC#N,CID3138373,,,,,,,,,,,,,,,0.0,,
CC(C)=CC(=O)OCC(=O)NC(=O)NC(C)(C)C,CID2419371,,,,,,,,,,,,,,,,0.0,
COC(=O)/C(C(C)=O)=C(\C=C/C=C/C=C/N(C)C)N(C)C,CID6529782,,,,,,,,,0.0,,,,,,,,
CCOC(=O)C(NC=O)(NC(C)(C)C)C(=O)OCC,CID660141,,,0.0,,0.0,,,,,,,,,,,,
C/C(CC(=O)NC(C)(C)C)=N\NC(N)=S,CID3130004,,,,,,,,,,,,,,,0.0,,
CCC(C)NC(=O)NC(CCSC)C(=O)O,CID664010,,,,,,,0.0,,0.0,,,,,,,,
CCOCCCNC(=O)NC(C)C(=O)OC,CID5389733,,,0.0,,,,,0.0,,,,,,,,,
COC(=O)C(C(=O)OC)=C(/C=C/C=C/N(C)C)N(C)C,CID1897076,,,,,,,,0.0,,,,,,,,,
CCC(C)C(NC(=O)C(C)NC(=O)CNC(=O)OC(C)(C)C)C(N)=O,CID3141771,,,,,,,,,,,,,,0.0,,,
CCOC(=O)NCC(C)(C)CNC(=O)OCC,CID257057,,,,,,,,0.0,,,,,,,,,
C=CCNC(=S)NNC(=O)C(CCCC)CC(C)(C)O,CID3100720,,,,,,,,,0.0,,,,,,,,
C=CCNC(=O)CCCC(=O)NCC=C,CID2169358,,,,,,,0.0,,,,,0.0,,,,,
CC(C)(C#N)N([O-])/C=C/[N+](=O)C(C)(C)C#N,CID5310701,,0.0,,,,,,0.0,,,,,,,,,
CCCCOCCCNC(=O)NC(C(=O)OC)C(C)C,CID664264,,,,,,,,0.0,0.0,,,,0.0,,,,
CCCCNC(=O)OCC(CC)NC(=O)OC(C)C,CID654802,,,0.0,,,,,0.0,,,,,,,,,
NCCCCCNC(=O)/C=N/O,CID6411260,,,,0.0,,,,,,,,,,,0.0,,
CCC(C)NC(=O)NC(CCSC)C(=O)OC,CID9551864,,,,,,,,,,,0.0,,,,,,
CCOC(=O)/C(N=O)=C(\C)NNC(C)=O,CID5718044,,,,,,,,,,,,,,0.0,,,
CCOC(=O)/C(C#N)=C/NC(=O)NC(C)(C)C,CID2054517,,,,,,,,,,,0.0,0.0,,,,,
C=CCN(C)CCCNC(=O)/C=N/O,CID6400940,,,,0.0,,,,0.0,,,,,,,,,
CC(NC(=O)C(CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(N)=O,CID652835,,,,,,,,,,,,,0.0,,,,
O=C(O)CCCCCCCC(=O)O,CID2266,,,,,,,,0.0,,,,,,,,,
C/C(NCC(C)(C)C)=C(/C#N)C(N)=O,CID2839865,,,,,,,,,,,,0.0,,,,,
O=C(NCCCCO)C(F)(F)C(F)(F)C(F)(F)C(=O)NCCCCO,CID648321,,,,,,,,,0.0,,,,,,,,
CCCCNC(NCCCC)=C(S(=O)(=O)CC)S(=O)(=O)CC,CID2259930,,,,,,,,,,,,0.0,0.0,,,0.0,
CC(CCCC(C)(C)O)NCCO,CID2855227,,,,0.0,,,,0.0,,,,,,,,,
CCCCC(=O)OCC(=O)NC(=O)NC(C)C,CID2438992,,,,,,,,,,,,,,,0.0,,
CCCCNC(=O)OCCNC(=O)NC,CID650127,,,,,,,,,,,,0.0,,,,,
CCCC(C)(COC(N)=O)COC(=O)NC(C)C,CID2576,,,0.0,0.0,,,,,,,,,0.0,,,,
C=CCNC(=S)NNC(=O)CCC(O)CCCCC,CID3545498,,,,,,,,,,,0.0,0.0,,,,,
C=CCNC(=O)CCCCC(=O)NCC=C,CID2166261,,0.0,,,,,0.0,,,,,,,,,,
C/C(=N\O)C(=O)NCCCNCCCN(C)C,CID6400938,,0.0,,,,,,,,,,,,,,,
CN(C)CCCNCCCCNC(=O)/C=N/O,CID6400955,,0.0,,,,,,0.0,,,,,,,,,
C=CCNC(=O)CC(C)C(CCCCC)C(=O)O,CID657736,,,,,,,,,,0.0,,,,,,,
C=CCN(CC=C)C(=O)CCC(=O)N(CC=C)CC=C,CID2932554,,,,,,,,,,0.0,,,,,,,
COC(=O)C(C(=O)OC)C(C(C)C)C(C(=O)OC)C(=O)OC,CID2192490,,,,,,,,,,,,,,,,0.0,
CC(C)CC(=O)NCC(C)NC(=O)CC(C)C,CID2931090,,,,,,,,,,,,0.0,,,0.0,,
CCCCC/C(C)=C(\C#N)C(=O)OCC,CID1551404,,,,,,0.0,,,,,,,,,,,
CCCCCN(C(=O)NC(=O)NCCCC)S(C)(=O)=O,CID2333272,,,,,,,,,,,0.0,,,,,,
CCCC(=O)NCCCCNC(=O)CCC,CID2166864,,,,0.0,,,,,,,,,,,,,
CCCN(CC#CCO)CCC,CID657565,,,,,,,0.0,,,,,,,,,,
CC(C)=CCCC(C)N(C=O)C(C)CCC=C(C)C,CID2867109,,,,,,,,0.0,,,,,,,,,
CCOC(=O)C(C(=O)OCC)=C(N)NCCCO,CID664378,0.0,,,,0.0,,,,,,,,,,,,
CCOC(=O)CN/C(C)=C(\C#N)C(N)=O,CID2833369,,,,,,,,,,0.0,,,,,,,
CCOC(=O)C(C)/C(C)=N/NC(N)=S,CID3818185,,,,,,,,,,,,,,,0.0,,
CCC(CC)C(=O)NCCNC(=O)C(CC)CC,CID228244,,,0.0,,,,,,,,,,,,,,0.0
O=C(O)/C=C/C(=O)N1CCN(c2ccccc2F)CC1,CID1818332,,,,,,,,,,,,,,0.0,,,
O=C(N1CCN(c2ccccc2)CC1)C(F)(F)C(F)F,CID2250860,,,,,,,,,0.0,,,,,,,,0.0
CC(=O)Nc1ccc(N2CCN(C(C)=O)CC2)cc1,CID2889550,,,,0.0,,,,,0.0,,,0.0,0.0,,,,
CCC(=O)c1cc(F)c(N2CCN(CC)CC2)cc1C,CID975939,,,,,,,,,,,0.0,,,,,,
CCCCCC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1,CID1618051,,0.0,0.0,,,,0.0,,0.0,,0.0,,,,,,
COc1ccc(N2CCN(CCCN)CC2)cc1,CID2197701,,,,,,,,,,,,0.0,,,,0.0,
CCN1CCN(c2ccc([N+](=O)[O-])cc2C(=O)OC)CC1,CID3137785,,,,,,,,,,,,,,,0.0,,
COc1ccccc1N1CCN(C(=O)C(F)F)CC1,CID2317062,,,,,,,,,,,,,,,,,0.0
CCNC(=S)N1CCN(c2ccccc2OC)CC1,CID841458,,,,,,0.0,,,,,,,,,,,
Cc1ccc(N2CCN(S(=O)(=O)N(C)C)CC2)c(C)c1,CID849893,,,0.0,,,,0.0,0.0,,,,,,,,,0.0
CN(C)S(=O)(=O)N1CCN(c2cc(Cl)ccc2Cl)CC1,CID849896,,0.0,,,,,,,,,,,,,,,
CCOC(=O)N1CCN(c2ccc(Cl)cc2)CC1,CID423349,,,,,,,,,,,,,,0.0,,,
N#Cc1ccc(N2CCNCC2)c(F)c1,CID596113,,,,0.0,,,,,,,,0.0,,,,,
CCS(=O)(=O)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1,CID2913909,,,,,,,,,,,,0.0,,,,,
CC(C)CC(NC(=O)N1CCN(c2ccccc2)CC1)C(=O)O,CID664093,,,,,0.0,,,,,0.0,0.0,,0.0,,,,
C/C=C(\C)CN1CCN(c2ccccc2)CC1,CID782507,,,,,,,,,,0.0,0.0,0.0,,,,,
CCC(=O)N1CCN(c2cc(C)ccc2C)CC1,CID655680,,0.0,,,,,,0.0,,0.0,,,,,,0.0,
CC(C)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1,CID2886337,,,,,,,,,,,,,,,0.0,,
CCOc1ccccc1N1CCN(C(=O)C(F)(F)F)CC1,CID873682,,,,,,,,,0.0,,,,,,,,
O=C(N1CCN(c2ccccc2)CC1)C(F)(F)C(F)(F)F,CID2250218,,,,,,,,,0.0,,,,,,,,0.0
N#CCC(=N)N1CCN(c2cccc(Cl)c2)CC1,CID2764134,,,,,,,,,,,,,,0.0,,,
N#CCC(=N)N1CCN(c2ccc(Cl)cc2)CC1,CID2764133,,,,,,,,,,,,0.0,,,,,
O=C(O)/C=C/C(=O)N1CCN(c2cccc(Cl)c2)CC1,CID898290,,,,,,,,,,,,,,0.0,,,
CCCC(=O)c1ccc(N2CCN(C(=O)OCC)CC2)c(F)c1,CID629485,,,,0.0,,,,0.0,,,,,,,,,
CCCC(=O)c1cc(F)c(N2CCN(CCC#N)CC2)cc1C,CID2285660,,0.0,0.0,,,,,,,,,0.0,,,,,
CN1CCN(c2ccc(C(N)=O)cc2N)CC1,CID653930,,,,,,,,,,,,,,,,0.0,
CCC(=O)Nc1cc(Cl)ccc1N1CCN(C(=O)CC)CC1,CID935049,0.0,,,0.0,,,,,,0.0,,,,,,,
CCCCCC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1,CID4292568,,,,,,,,0.0,,0.0,,,,,,,
Cc1cccc(N2CCN(C(=O)C(C)C)CC2)c1C,CID897293,,,,,,,,,,0.0,,,,,,,
NC(=O)CN1CCN(c2ccccc2F)CC1,CID3241492,,,,,,,,0.0,,,,,,,,,
CCOC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1,CID1246090,0.0,,0.0,,,,,,,,,,,,,,
COc1ccc(N2CCN(CC(=O)NC(=O)NC(C)(C)C)CC2)cc1,CID2086353,,,,,,,,,,,,,,,0.0,,
CN(C)S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1,CID842568,0.0,,0.0,0.0,0.0,,,,,,,,,,,,0.0
Cc1ccc(Cl)cc1N1CCN(S(C)(=O)=O)CC1,CID900483,,,,,,,,,,0.0,,,,0.0,0.0,,
CCOC(=O)C(/C=C(\C#N)C(=O)OCC)=C(/N)N1CCN(c2c(C)cccc2C)CC1,CID9550314,,,,,,,,,,,0.0,,,,0.0,,
CCC(=O)Nc1ccc(N2CCN(CC)CC2)c(Cl)c1,CID952830,,,,,,0.0,,,,,,,,,,,
CC(C)C(=O)N1CCN(c2ccccc2N)CC1,CID942074,,,,0.0,,,0.0,0.0,,,,,0.0,,,,
COC(=O)C(CC(C)C)NC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1,CID7584220,,,,,,,,,,0.0,,,,,,,
CCCCCC(=O)Nc1ccc(N2CCN(C(=O)CCC)CC2)cc1,CID2968264,,,,,,,,,,,,,,,,,0.0
O=[N+]([O-])c1ccc(N2CCNCC2)c(Cl)c1,CID2771331,,,,,,,,,,,,,,,0.0,,
CCS(=O)(=O)N1CCN(c2ccccc2F)CC1,CID898195,,,0.0,,,,0.0,,,,,,,,,,
CN1CCN(c2ccc(C=O)cc2)CC1,CID736533,,,,,,,,,,,,0.0,,,,,
C/C=C(\C)CN1CCN(c2cccc(C)c2C)CC1,CID783329,,,,,,,,,,,0.0,,,,,,
N#CCC(=N)N1CCN(c2ccccc2)CC1,CID2763621,,,,,,,,,,,,0.0,,,,,
CCCCNC(=S)N1CCN(c2ccccc2Cl)CC1,CID4652039,,,,,,,,,,,,,,,0.0,,
CN1CCN(c2ccc(NC(=O)C(C)(C)C)cc2)CC1,CID645096,,,0.0,,,,0.0,,,,,,,,,,
C/C=C(\C)CN1CCN(c2ccc(C)cc2)CC1,CID782039,,,,,,0.0,,,,,,0.0,,,,,
COc1ccc(N2CCN(CCC(N)=O)CC2)cc1,CID2427433,,,,,,,,,,,,0.0,,,,,
CCCN1CCN(c2ccc([N+](=O)[O-])cc2C#N)CC1,CID4841075,,,,,,,,,,,,,,0.0,,,
CCN1CCN(c2ccc(NC(=O)C(C)C)cc2Cl)CC1,CID824053,,,,,,,,,,,0.0,,,,,,
CNc1cc(N2CCNCC2)ccc1[N+](=O)[O-],CID2941431,,,,,,,,,,,,,,0.0,,,
CC(=O)C(C(C)=O)=C(N)N1CCN(c2cccc(Cl)c2)CC1,CID893099,0.0,,,,,,0.0,,,,,,,,,0.0,0.0
CC(=O)N1CCN(c2cccc(C)c2C)CC1,CID670741,,,0.0,0.0,,,,0.0,,,,,,,,0.0,
CN1CCN(c2ccc(N)cc2)CC1,CID737253,,,,,,,,,,,,1.0,,,,,
CCCC(=O)c1cc(F)c(N2CCN(C(=O)OCC)CC2)cc1C,CID883191,,,,,,,0.0,,,,,,,,,,
CCNC(=S)N1CCN(c2ccccc2OCC)CC1,CID2085856,,,,,,,,,,,,,,0.0,0.0,,
CCOC(=O)N1CCN(c2ccccc2O)CC1,CID2460961,,,,,,,,,,,,0.0,,,,,
CN1CCN(c2ccccc2N)CC1,CID286547,,,,,,,,,,,,0.0,,,,,
N#CCC(=N)N1CCN(c2ccc(F)cc2)CC1,CID1476193,,,,,,,,,,,,,,,0.0,,
CCCC(=O)N1CCN(c2ccc(NC(=O)C(C)(C)C)cc2)CC1,CID953631,,,,,,,,,,,,0.0,,,,,
CNC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1,CID2928135,,,,,,0.0,,,,,,,,0.0,,,
COC(=O)N1CCN(c2ccc(C(C)=O)cc2)CC1,CID1247226,,,0.0,,,,,,,,,,,,,,
Cc1ccc(Cl)cc1N1CCN(C(=O)CCC(=O)O)CC1,CID656210,,,0.0,,,,0.0,,,0.0,,,0.0,,,,0.0
Cc1ccc(N2CCN(S(=O)(=O)N(C)C)CC2)cc1Cl,CID700113,,0.0,,0.0,0.0,,,,,0.0,,,,,,,0.0
CCCC(=O)Nc1ccc(N2CCN(C(=O)CCC)CC2)cc1,CID648561,,,,0.0,,0.0,0.0,,,,,,,,,,
CCCC(=O)Nc1cc(Cl)ccc1N1CCN(C(=O)CC)CC1,CID1253256,0.0,0.0,0.0,,,,0.0,,0.0,,,,,,,0.0,0.0
CN(C)S(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1,CID647413,0.0,0.0,,0.0,0.0,,,,,,,,,,,,
COC(=O)C(CCSC)NC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1,CID663781,0.0,,,,0.0,,,,,,,,,,,,0.0
C/C=C(\C)CN1CCN(c2cc(C)ccc2C)CC1,CID783207,0.0,,,,,0.0,,,,,,,,,,0.0,
CCS(=O)(=O)N1CCN(c2cccc(C)c2C)CC1,CID2171776,,,0.0,0.0,,,0.0,,,,,0.0,0.0,,,,0.0
COc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1,CID798472,,,,,,,,,,,,,,,0.0,,
CCCCC(=O)Nc1ccc(N2CCN(C(=O)CC)CC2)cc1,CID2214825,,0.0,,,,,,,0.0,,,,,,0.0,,
CCCCCC(=O)Nc1ccc(N2CCN(CC)CC2)c(Cl)c1,CID2066745,0.0,,0.0,0.0,,,0.0,,,,,,0.0,,,,
O=C(O)CCCC(=O)N1CCN(c2cccc(Cl)c2)CC1,CID752992,,0.0,,0.0,,0.0,,,,0.0,,,0.0,,,0.0,0.0
OCC(O)CN1CCN(c2ccccc2)CC1,CID3169,,0.0,,0.0,0.0,,,,,,,,,,,0.0,
CC(C)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1,CID824047,,0.0,,0.0,,0.0,,0.0,0.0,0.0,0.0,,,,,0.0,
COc1ccccc1N1CCN(C(=O)CCC(=O)O)CC1,CID822887,,,,,,,,,,,,,,,0.0,,
CCOC(=O)N1CCN(c2ccc(C(=O)CC)cc2F)CC1,CID628041,,,0.0,,,,,0.0,,,,,,,0.0,,
Cc1cccc(C)c1N1CCN(S(=O)(=O)N(C)C)CC1,CID849897,,,,,,,,,,,,,,,0.0,,
CCOC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1,CID2933428,,,,,,,,,,,,,,,0.0,,
CCCCC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1,CID1618256,0.0,0.0,,0.0,,,0.0,,0.0,,,,,,,0.0,0.0
C=CCOC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1,CID658907,,,,,,,0.0,,,,,0.0,,,,,
Cc1cccc(N2CCN(S(C)(=O)=O)CC2)c1C,CID874211,,0.0,,,,,,0.0,,,0.0,,,,,,
CCOC(=O)C(/C=C(\C#N)C(=O)OCC)=C(/N)N1CCN(c2ccc(OC)cc2)CC1,CID9551595,,,,,,,,,,0.0,0.0,,,,,,
O=C(O)CCC(=O)N1CCN(c2cccc(Cl)c2)CC1,CID851796,,,,,,,0.0,,,0.0,,,,0.0,,0.0,0.0
CCC(=O)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1,CID2952100,,,,,,,,,,,,0.0,,,,,
CCOc1ccccc1N1CCN(C(=O)CC(C)(C)C)CC1,CID1246194,,,,,,,,,,,,,,,0.0,,
Cc1ccc(Cl)cc1N1CCN(CCN)CC1,CID3237236,0.0,0.0,,,,,,,,,,,,,,0.0,
CCOc1ccccc1N1CCN(S(=O)(=O)CC)CC1,CID896068,,,,,,,,0.0,0.0,,,,0.0,,,,
CC(C)C(=O)Nc1ccccc1N1CCN(S(C)(=O)=O)CC1,CID2970101,,,0.0,,,,0.0,,0.0,0.0,,,,,,0.0,
O=C(C(F)C(F)(F)F)N1CCN(c2ccccc2)CC1,CID2998357,,,,,,,,,0.0,,,,,,,,0.0
CCC(=O)Nc1ccccc1N1CCN(S(C)(=O)=O)CC1,CID2963709,,,,0.0,,,,,,0.0,,,,,,0.0,
CN1CCN(c2ccc([N+](=O)[O-])c(N)c2)CC1,CID2760034,,,,,,,,,,,,,,,0.0,,
CCOC(=O)N1CCN(c2cc(C)c(C(C)=O)cc2F)CC1,CID644813,,,,,,,,,,,,,0.0,,,,0.0
COC(=O)/C=C/C(=O)N1CCN(c2cccc(Cl)c2)CC1,CID851909,,,,,,,,,,,,,,0.0,,,
CS/C(=N\C#N)N1CCN(c2ccc(Cl)cc2)CC1,CID1482465,,,,,,,,,,,,,,0.0,,,
CCOC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1,CID2877556,,,,,,,,,,,0.0,,,,,,
CCNC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1,CID2908710,,,,,,,,,,,,0.0,,0.0,,,
COC(=O)C(NC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)C(C)C,CID664742,0.0,,,0.0,0.0,,0.0,,0.0,,,,,,,,0.0
CCCC(=O)Nc1ccccc1N1CCN(C(=O)C(C)C)CC1,CID654096,,,0.0,,,,,,0.0,,,,,,,,
CCCS(=O)(=O)N1CCN(c2ccccc2F)CC1,CID2947309,,,0.0,,,,0.0,,,,,,,,,,
COC(=O)C(NC(C)=O)(Nc1nc2c(C)cc(C)cc2s1)C(F)(F)F,CID541104,,,,,,,,,,0.0,,,,,,,
CSc1nc2ccc(S(=O)(=O)N(C)C)cc2s1,CID726069,,,,,,,,,,,0.0,,,,,,
COc1ccc(OC)c2sc(NC(=O)C(C)C)nc12,CID5310571,,0.0,,,,,,,,,,,,,,,
COC(=O)CCCc1nc2ccccc2s1,CID661084,,,,,0.0,,,,,,,,,,,,
CCOCC(=O)Nc1nc2ccc(OC)cc2s1,CID2163146,,,0.0,,0.0,,,,,0.0,,,,,,,
C/C=C/C(=O)OCC(=O)Nc1nc2ccc(C)cc2s1,CID2448254,,,,,,0.0,,,,,0.0,,,,,,
CCCC(=O)Nc1nc2ccc(OC)cc2s1,CID743852,,,,0.0,0.0,,,,,,,,0.0,,,,
CCOc1ccc2nc(NC(=S)N(C)C)sc2c1,CID942915,,,,,,0.0,,,,,,,,,,,
COC(=O)CSc1nc2ccc(NC(C)=O)cc2s1,CID644460,,,,,,0.0,0.0,,,0.0,,,,,,,
COc1ccc2nc(N)sc2c1,CID15630,,,,,,,,,,0.0,,,,,,,
CCCCC(=O)Nc1nc2c(OC)ccc(OC)c2s1,CID2150748,,,,0.0,0.0,0.0,0.0,,,,,,,,,,
CCC(=O)Nc1nc2c(OC)ccc(C)c2s1,CID2150741,,0.0,0.0,,0.0,,0.0,,,,0.0,,,,,,
CCC(=O)Nc1nc2c(OC)ccc(OC)c2s1,CID2150742,,,,0.0,0.0,,,,,,,,,,,,
CSc1nc2ccccc2s1,CID11989,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)c2nc(N)sc2c1,CID46372,,,,,0.0,,,,,,,,,,0.0,,0.0
CCOC(=O)CSc1nc2ccc(NC(C)=O)cc2s1,CID880537,,,0.0,,,,0.0,,,0.0,0.0,,,,,,
CC(C)OC(=O)CSc1nc2ccccc2s1,CID719923,,,0.0,,0.0,,0.0,,,0.0,,,,,,,
NC(=O)COC(=O)CCCc1nc2ccccc2s1,CID2417639,,,,,,,,,,,,,,,0.0,,
COCCNC(=O)CNS(=O)(=O)c1ccc2nc(C)sc2c1,CID3244626,,,,0.0,0.0,,,,,,,0.0,0.0,,,0.0,
CC(C)C(=O)NNc1nc2ccccc2s1,CID596564,,,,,,,,,,,,,,0.0,,,
C=CCS(=O)(=O)c1nc2ccccc2s1,CID701066,,,,,,0.0,,,,,,,,,,,
Cc1nc2cc(CO)ccc2s1,CID2341868,,,,,0.0,,,,,,,,0.0,,,,
Nc1nc2ccc(OC(F)(F)F)cc2s1,CID5070,,,,,,,,,,,,,,,,,0.0
CN(C)C(=O)c1nc2ccccc2s1,CID900712,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1nc2ccccc2s1,CID640708,,0.0,,,0.0,,0.0,,,,,0.0,,,,0.0,
CCS(=O)(=O)CCSc1nc2ccccc2s1,CID645396,,,,,0.0,,,,0.0,,,,0.0,,,,
COc1ccc2sc(C)nc2c1NC(C)=O,CID649185,,,,0.0,0.0,,0.0,,,,0.0,,,,,,
CC(=O)CSc1nc2ccccc2s1,CID252398,,,,,,,,,,,0.0,,,,,,
Cc1nc2ccc(N)cc2s1,CID762831,,,,0.0,0.0,,,,,,,,,,,,
CSCCC(Nc1nc2ccccc2s1)C(=O)O,CID651739,,,0.0,,,,,,,,,,0.0,,,,
CCOc1ccc2nc(NC(NC(=O)CC)(C(=O)OC)C(F)(F)F)sc2c1,CID660458,0.0,,,,0.0,,,,,0.0,,,,,,,
CCC(=O)Nc1nc2ccc(NC(C)=O)cc2s1,CID646206,,,,0.0,,,,,,,,0.0,,,,,0.0
CCOc1ccc2nc(SCC(=O)NC(=O)C(C)C)sc2c1,CID2448595,,,,,,,,,,,,,,0.0,0.0,,
COC(=O)C(NC(C)=O)(Nc1nc2ccc(S(C)(=O)=O)cc2s1)C(F)(F)F,CID660642,,,,,0.0,,,,,,,,,,,,
COc1ccc2sc(NC(C)=O)nc2c1,CID655817,,,,,0.0,,,,,,,,,,,,
Cc1nc2ccc(S(=O)(=O)NC(CC(C)C)C(=O)O)cc2s1,CID3237588,,,,,0.0,0.0,,,,,,,,,,,
CCOC(=O)NC(=O)COC(=O)CCCSc1nc2ccccc2s1,CID2096694,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(OCC)c2sc(C)nc12,CID762833,,,,,0.0,,0.0,,,0.0,0.0,,,,,,
CCC(=O)NC(=Nc1nc2ccccc2s1)NC(=O)CC,CID662345,,,,,,,,0.0,,0.0,,,,,,,
C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)C(C)C)sc2c1,CID993382,0.0,,,,,,0.0,,,0.0,,,,,,,
CC(=O)Nc1ccc2nc(SCC(=O)O)sc2c1,CID653086,,0.0,,0.0,0.0,,,,,,0.0,,,0.0,,,
CCC(=O)NC(Nc1nc2ccc(C)cc2s1)(C(=O)OC)C(F)(F)F,CID4400590,,,,,,,,,,0.0,,,,,,,
CC(C)OC(=O)CCC(=O)Nc1nc2ccccc2s1,CID2290622,,,,,,,,,,,,,,,0.0,,
O=C(O)CCSc1nc2ccccc2s1,CID224561,0.0,,0.0,,,,,,,,,,0.0,,,,
CCOc1ccc2nc(S(N)(=O)=O)sc2c1,CID3295,,,0.0,,,,,,,0.0,,,,,,,
COc1cc2nc(C)sc2cc1SC,CID744441,,,,,,0.0,,,,,0.0,,,,,,
CCCCOC(=O)Nc1nc2ccc(OC)cc2s1,CID1567001,,,,,0.0,,,0.0,,,,,0.0,,,,
CCOC(=O)N/C(N)=N/c1nc2ccccc2s1,CID9601080,,,,0.0,,,,,,,,,,,,,
CCOC(=O)c1ccc2nc(NC(NC(C)=O)(C(=O)OC)C(F)(F)F)sc2c1,CID629191,0.0,,,,0.0,,0.0,,,,,,,,,,0.0
COCC(=O)Nc1nc2ccc(C)cc2s1,CID836502,,,,0.0,0.0,,,,,,,,,,,,
CCCC(=O)Nc1nc2ccc(S(N)(=O)=O)cc2s1,CID734497,,,,,,,,,,0.0,,,0.0,,,,
COc1ccc2sc(NC(=O)CC(C)C)nc2c1,CID653438,,,,,0.0,0.0,,,,,0.0,,0.0,,0.0,,
CCOc1ccc2nc(NC(=O)COC)sc2c1,CID652526,,,,,0.0,,,,,,,,,,,,0.0
CCOC(=O)CC(=O)Nc1nc2ccccc2s1,CID790147,0.0,,,0.0,0.0,,0.0,0.0,,,,,,,,,
CC(C)(C)NC(=O)c1nc2ccccc2s1,CID2445624,,,,,,,,,,0.0,,,,,,,
COCC(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1,CID650640,,,0.0,,0.0,,,,,0.0,,,,,,,
CC(C)=C(C#N)c1nc2ccccc2s1,CID650642,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1ccc2nc(NC(=O)C(C)C)sc2c1,CID5060198,,,,,,,,,,0.0,,,,,0.0,,
O=C(O)CSCc1nc2ccccc2s1,CID658529,,,,,,0.0,0.0,,,,,,,,,0.0,
CCS(=O)CCSc1nc2ccccc2s1,CID847090,,,,,,,,,0.0,,,,,,,,
CC(=O)Nc1nc2ccc(Br)cc2s1,CID3240669,,,,,,,,,0.0,,,,,,,0.0,
CCC(=O)Nc1nc2cc(OC)ccc2s1,CID646635,,,,,0.0,,0.0,,,,,,,,,,
COc1ccc2nc(/N=C/N(C)C)sc2c1,CID380199,,,0.0,,,,,,,,,,,,,0.0,0.0
CC(C)=CC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1,CID731833,,,,,,,,,,,,,,,0.0,,
CCOCC(=O)Nc1nc2ccc(OCC)cc2s1,CID2206392,,0.0,0.0,0.0,,,,0.0,,,,,,,,,
CCOc1ccc2nc(Cl)sc2c1,CID350015,,,,,,,,,,,,,,0.0,,,
Cc1nc2ccc(S(=O)(=O)NCC(=O)O)cc2s1,CID3239623,,,0.0,,0.0,,,,,,,,0.0,,,,
O=C(NCCCO)c1nc2ccccc2s1,CID1796233,,,,,0.0,,0.0,,,,,,,,,,
CCOCC(=O)Nc1nc2ccc(C)cc2s1,CID1729132,,0.0,0.0,,0.0,,0.0,,,,0.0,,,,,,
COCCNC(=O)COC(=O)CSCc1nc2ccccc2s1,CID2496606,,,0.0,,0.0,,,,,0.0,,,,,,,
Cc1nc2cc(Cl)c([N+](=O)[O-])cc2s1,CID759461,,,,,,,,,,,,,,0.0,,,
Cc1nc2ccc(CCO)cc2s1,CID3241939,0.0,,,,0.0,,,,,,,,,,,,
CCOC(=O)CSc1nc2ccc(N)cc2s1,CID743902,,,,,,,,,,0.0,,,,,,,
CNC(=O)c1ccc2nc(NC(C)=O)sc2c1,CID645316,0.0,0.0,,0.0,,,0.0,0.0,,,,0.0,0.0,,,,
CC(C)(C)C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1,CID777602,,,,,,,,,,,,,,,0.0,,
CC(=O)Nc1ccc2sc(C)nc2c1,CID596204,,,,,,0.0,,,,,,,,,,,
COC(=O)N(C)c1nc2ccccc2s1,CID653548,,,,,0.0,,,,,,,,,,,,
CCOc1cccc2sc(NC(=O)CC)nc12,CID873147,,,,,,,,,0.0,,,,,,,,
CCCC(=O)Nc1nc2ccc(OCC)cc2s1,CID849083,,,0.0,,0.0,,,,,,,,,,,,
CC(C)(C)S(=O)(=O)c1nc2ccccc2s1,CID305467,,,,,,0.0,,,,,0.0,,,,,,
CCOC(=O)Nc1nc2ccccc2s1,CID854169,,,,,,,,,,,,0.0,,,0.0,,
CCOc1ccc2nc(NS(C)(=O)=O)sc2c1,CID849618,,,0.0,,,,,,,0.0,,,0.0,,,,
CCOc1ccc2nc(NC(NC(C)=O)(C(=O)OC)C(F)(F)F)sc2c1,CID541175,0.0,,,,0.0,,,,,,,,,,,,0.0
CCCC(=O)Nc1nc2c(OC)ccc(OC)c2s1,CID2150761,,,,0.0,0.0,,0.0,,,,,,,,,,
CCOC(=O)NC(Nc1nc2ccccc2s1)(C(=O)OCC)C(F)(F)F,CID591859,0.0,,,,0.0,,,,,0.0,,,,,,,
Nc1nc2ccc([N+](=O)[O-])c(N)c2s1,CID5086667,,,,,,,,,,,,,,0.0,,,
CC(C)NC(=O)c1nc2ccccc2s1,CID972324,,,,,0.0,,,,,,,,,,,,
CCOc1cccc2sc(Cl)nc12,CID2049863,,,,,,,,,,,,,,0.0,,,
COc1ccc(OC)c2sc(Cl)nc12,CID2049882,,,,,,,,,,,,,,0.0,,,
COC(=O)Nc1nc2c(C)cccc2s1,CID1246498,,,,,0.0,,,,,,,,0.0,,,,
COC(=O)C(NC(C)=O)(Nc1nc2ccc(C)cc2s1)C(F)(F)F,CID541049,,,,,,,,,0.0,,,,,,,,
NNc1nc2c(F)cccc2s1,CID2049836,,,,,,,,,,,,,,0.0,,,
O=C(O)CCCc1nc2ccccc2s1,CID829788,,,,,,,0.0,,,0.0,0.0,,,,,,
CCN(CC)S(=O)(=O)c1ccc2nc(SC)sc2c1,CID713123,,,,,,,,,0.0,0.0,,,,,,,
CCOCC(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1,CID2947149,,,,,0.0,,,,,0.0,,,,,,,
CCCCN(C(=O)NC(=O)Nc1nc2ccc(OC)cc2s1)S(C)(=O)=O,CID2312918,,,,,0.0,,,,,,,,,,,,
CCC(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1,CID731710,,,,,,,,,,0.0,,,,,,,
CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(N(C)C)cc1,CID332934,0.0,,,0.0,0.0,,0.0,,,0.0,,0.0,0.0,,,,0.0
CCN(CC)C(=O)C1=C(C)NC(=O)NC1c1ccccc1F,CID3154354,,,0.0,0.0,,,0.0,,,,,,,,0.0,,
CCOC(=O)C1=C(C)NC(=O)N(C(C)=O)C1c1ccc(Cl)cc1,CID3732121,,0.0,,0.0,,,,,,,,,,,,0.0,
COc1ccc(C2NC(=O)NC(C)=C2C(C)=O)cc1,CID2818276,,,,,,,,,,0.0,,,,,,,
CCSCCOC(=O)C1=C(C)NC(=O)NC1c1ccccc1,CID3091644,,0.0,0.0,0.0,0.0,,0.0,,,,,,,,,,
CCC(C)OC(=O)C1=C(C)NC(=O)NC1c1ccc(F)cc1,CID2855639,,,,0.0,,,,0.0,,,,,,,,,
CCCCCOC(=O)C1=C(C)NC(=O)NC1c1ccccc1OCC,CID2836919,0.0,,,0.0,,,,0.0,0.0,,,0.0,,,,,0.0
C=CCOc1c(Br)cc(C2NC(=O)NC(C)=C2C(C)=O)cc1OCC,CID2983368,,,,,,,,,0.0,,,0.0,,,,,
CCN(CC)C(=O)C1=C(C)NC(=O)NC1c1c(F)cccc1Cl,CID2938693,,0.0,,,,,,,,,,,,,,0.0,
COCCOC(=O)C1=C(C)NC(=O)NC1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1,CID2924019,,,,,,,,0.0,,,,,,,,,0.0
CCOCc1cc(C2NC(=O)NC(C)=C2C(=O)OCC)ccc1OC,CID2947286,0.0,,,,,,0.0,,0.0,,,0.0,,,,0.0,
CCCCOc1ccc(C2NC(=O)NC(C)=C2C(=O)OCC)cc1,CID2883763,,,,,,0.0,,,,,,,,,,,
CCCC1=C(C(=O)OCC)C(c2ccccc2OCC)NC(=O)N1C,CID2906356,,,,,0.0,,,,0.0,,,0.0,0.0,,,,
CCCC1=C(C(=O)OCC)C(c2ccc(NC(C)=O)cc2)NC(=O)N1,CID2962554,,,0.0,,,,,,,,,,0.0,,,,
CC(=O)C1=C(C)NC(=O)NC1c1cccc(O)c1,CID2831242,,0.0,,,0.0,,0.0,0.0,,,,0.0,,,,,
CCCOc1ccccc1C1NC(=O)NC(C)=C1C(=O)OCCOCC,CID653322,0.0,,,,,,,0.0,0.0,,,,0.0,,,,
C=CCOc1c(OC)cc(Cl)cc1C1NC(=O)NC(C)=C1C(C)=O,CID2950404,,,0.0,,,,,,,,,,,,,0.0,0.0
CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(N(CC)CC)cc1,CID2729242,0.0,,,0.0,0.0,,,,,,,,,,,,
COC(=O)C1=C(C)N(C)C(=O)NC1c1ccc(C)cc1,CID2855321,,0.0,,,,,0.0,,,0.0,,,0.0,,,,0.0
CCCCOc1ccccc1C1NC(=O)NC(C)=C1C(=O)OCCOCC,CID2854444,,,0.0,,,0.0,,,0.0,,,0.0,0.0,,,,
CC1=C(C(=O)OCC(C)C)C(c2ccc(F)cc2)NC(=O)N1,CID2855715,,,0.0,,,0.0,,,,,,,,,,,0.0
CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(F)cc1,CID650029,,,0.0,0.0,,,,,,,,,,,,,
CCOC(=O)C1=C(C)N(CCO)C(=O)NC1c1cccc(O)c1,CID559842,,,,0.0,0.0,,0.0,0.0,,,,0.0,,,,,
CCOc1ccc(C2NC(=O)NC(C)=C2C(=O)OC)cc1C,CID2907056,,,,,,,,,0.0,,0.0,0.0,,,0.0,,
CCOC(=O)C1=C(CSCC(=O)OC)NC(=O)NC1c1cc(C)ccc1C,CID2978546,,,,,,,,,,,0.0,,,,,,
CCOCCOC(=O)C1=C(C)N(C)C(=O)NC1c1cc(Cl)c(O)c(OCC)c1,CID2936837,,,,,,,,,,,,,,,,0.0,
CCOC(=O)C1=C(C)NC(=O)NC1c1cccc(O)c1,CID2849314,0.0,,,,0.0,,,,,,,,0.0,,,,
C=CCOc1c(Cl)cc(C2NC(=O)NC(C)=C2C(=O)OC)cc1Cl,CID2943113,,0.0,,,,,,,,,,,,,,,
COC(=O)C1=C(C)NC(=O)NC1c1ccc(OC(C)C)cc1,CID2885169,,,,,,0.0,,,,,,,,,,,
COC(=O)C1=C(C)N(C)C(=O)NC1c1ccc(O)c(OC)c1,CID2863224,0.0,,,0.0,0.0,,0.0,0.0,,,,,,,,0.0,
CC1=C(C(=O)OCC(C)C)C(c2ccccc2Cl)NC(=O)N1C,CID2863583,,,0.0,,,0.0,0.0,,,,,,0.0,,,0.0,0.0
COc1cc(C2NC(=O)NC(C)=C2C(=O)OC(C)(C)C)ccc1OCC(=O)O,CID2958213,,,0.0,,,,0.0,,,,,,0.0,,,,
COCCOC(=O)C1=C(C)NC(=O)N(C(C)=O)C1c1ccc(Cl)cc1,CID3236346,,,,,,0.0,0.0,,,,,,,,,0.0,
CC(=O)C1=C(C)NC(=O)NC1c1cc(Br)ccc1OCC(N)=O,CID2984328,,,,,,,,,,,,,,,,0.0,0.0
CCOC(=O)C1=C(C)C(c2ccc(OC)cc2OC)NC(=O)N1,CID651878,0.0,,,,0.0,,0.0,,,,,,,,,,
CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(Cl)cc1Cl,CID2817097,0.0,,,,,,0.0,,,,,,0.0,,,,
CCOC(=O)C1=C(C)NC(=O)NC1c1ccccc1Cl,CID493410,,0.0,0.0,0.0,,,,,,,,,,,,0.0,
CCN1C(=O)NC(c2cc(Br)ccc2OC)C(C(=O)OC)=C1C,CID2966047,0.0,,,,,,0.0,,0.0,,,,,,,,0.0
CC(=O)C1=C(C)NC(=O)NC1c1cc(Br)ccc1OCC#N,CID4606790,,,,,,,,,,,,,,,0.0,,
CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OC)c(Cl)c1,CID2961222,,0.0,,0.0,,,0.0,,,0.0,,,0.0,,,0.0,0.0
CCOC(=O)C1=C(C)N(CCCC(=O)O)C(=O)NC1c1ccc(OC)cc1,CID5461561,,,,,,,,,,,,,,0.0,,,
CCCC1=C(C(=O)OCC)C(c2ccccc2OCC)NC(=O)N1,CID2962597,,0.0,,,,,0.0,,0.0,,,0.0,,,,,0.0
COC(=O)C1=C(C)N(C)C(=O)NC1c1ccccc1,CID650850,,,,,,,0.0,,,,,,,,,,
CCSCCOC(=O)C1=C(C)NC(=O)NC1c1cccc(OC)c1OC,CID2855406,,,,,0.0,,,,,,,0.0,,,,,
CCOCCOC(=O)C1=C(C)N(C)C(=O)NC1c1ccccc1F,CID649636,,,,,,0.0,,0.0,,,,,,,,,
CCOC(=O)C1=C(C)NC(=O)NC1c1ccccc1,CID220272,,,,,,,,,,,,,,0.0,,,
CC1=C(C(=O)N(C)C)C(c2cccc(Cl)c2)NC(=O)N1,CID2998268,,0.0,0.0,,,,0.0,,,,,,,,,0.0,
CCOC(=O)C1=C(C)N(C)C(=O)NC1c1cccc(O)c1,CID2882953,0.0,,0.0,,0.0,,,,,,,,,,,,
CC(=O)C1=C(C)NC(=O)NC1c1cccc([N+](=O)[O-])c1O,CID2938996,,,,,,,,,,,,,,,0.0,,
CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OCCO)c(OC)c1,CID2863237,,,,,0.0,,,0.0,,,,,0.0,,,,0.0
CCOC(=O)C(C)Oc1ccc(C2NC(=O)NC(C)=C2C(C)=O)cc1Br,CID2962601,,,,,,,0.0,,,,,,,,,0.0,0.0
CCOC(=O)C1=C(C)C(c2ccccc2O)NC(=O)N1,CID3103527,,,,,,,,,,,,0.0,,,,,
CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OCC(=O)OC)c(OC)c1,CID644701,,,0.0,,0.0,,0.0,0.0,,,,,,,,,
CCOc1cc(C2NC(=O)N(C)C(C)=C2C(=O)OC)cc(Br)c1O,CID3240371,0.0,,,,,,0.0,,0.0,,,,,,,0.0,0.0
CC1=C(C(=O)OC(C)C)C(c2ccc(F)cc2)NC(=O)N1,CID2830439,,,0.0,0.0,,,,,,0.0,,,0.0,,,,
COC(=O)C1=C(C)NC(=O)NC1c1ccccc1,CID296188,,,0.0,,,,,0.0,,,,,0.0,,,,0.0
COC(=O)c1ccc(C2NC(=O)NC(C)=C2C(=O)N(C)C)cc1,CID2999420,,0.0,,0.0,,,,,,0.0,,,,,,0.0,0.0
CCCCCCOC(=O)C1=C(C)NC(=O)NC1c1ccc(O)cc1,CID656213,0.0,,,,0.0,0.0,0.0,0.0,0.0,0.0,,0.0,,,,,
CCOC(=O)C1=C(C)NC(=O)NC1c1cc(Br)c(O)c(OC)c1,CID647200,0.0,,,,,,,,,,,,,,,0.0,0.0
CCOCCOC(=O)C1=C(C)N(C)C(=O)NC1c1cc(Cl)c(O)c(OC)c1,CID3115015,,,,0.0,,,,,,,,,,,,0.0,0.0
CCSCCOC(=O)C1=C(C)NC(=O)NC1c1cc(OC)ccc1OC,CID3092009,,,,,,,,,,,,,0.0,,,,
COC(=O)C1=C(C)NC(=O)NC1c1cc(Cl)ccc1OC,CID2922831,0.0,,,,,,0.0,,,,,,0.0,,,,
COCCN1C(=O)NC(c2ccccc2)C(C(=O)OC)=C1C,CID9548403,,,,,,,,,,,,,,0.0,,,
CCCCCOC(=O)C1=C(C)N(C)C(=O)NC1c1cc(Br)c(O)c(OC)c1,CID652196,0.0,,,,,,0.0,,0.0,,,,,,,0.0,0.0
CCOC(=O)COc1c(Br)cc(C2NC(=O)NC(C)=C2C(C)=O)cc1OC,CID3262203,,,,,,,,,0.0,,,,,,,,
CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OCC(N)=O)cc1,CID2892034,,,,,,,,,,0.0,0.0,,,,,,
COC(=O)C1=C(C)N(C)C(=O)NC1c1cc(Cl)c(O)c(OC)c1,CID2940776,,,,,,,,,,0.0,,,,,,,
CC(=O)C1=C(C)NC(=O)NC1c1ccccc1,CID592640,,,0.0,,,,0.0,,0.0,,,0.0,0.0,,,,
COc1cc(C2NC(=O)NC(C)=C2C(=O)OC(C)(C)C)ccc1OCC(N)=O,CID651246,,,0.0,0.0,0.0,,,,,,,,,,,,
COc1ccccc1C1NC(=O)NC(C)=C1C(C)=O,CID2998180,0.0,0.0,,,,,0.0,0.0,,0.0,,0.0,,,,,
C=CCOc1ccc(C2NC(=O)NC(C)=C2C(=O)OC)cc1,CID2907479,,,,0.0,,,,,,,,0.0,0.0,,,,0.0
CCCC1=C(C(=O)OCC)C(c2ccccc2OC)NC(=O)N1,CID2866963,0.0,,,,,,0.0,0.0,0.0,,,,0.0,,,,0.0
COC(=O)C1=C(C)N(C)C(=O)NC1c1cc(Cl)cc(Cl)c1OC,CID2940660,0.0,,,,,,0.0,,,,,,,,,,
CCCOc1ccccc1C1NC(=O)NC(C)=C1C(=O)OCCOC(C)C,CID3709691,,0.0,,,,,,,,,,,,,,,
CC1=C(C(N)=O)C(c2ccccc2F)NC(=O)N1,CID2912658,,,,,,,,,,,,,,,0.0,,
CCOCCOC(=O)C1=C(C)N(C)C(=O)NC1c1ccccc1Cl,CID2864153,,0.0,,0.0,,,0.0,,,0.0,,,,,,0.0,
CC1=C(C(N)=O)C(c2ccc(Cl)cc2)NC(=O)N1,CID645614,0.0,0.0,,,,,,,,,,,,,,0.0,
CCOC(=O)C1=C(C)N(CCO)C(=O)NC1c1ccccc1,CID614956,,,,,0.0,,0.0,,,,0.0,,0.0,,,,0.0
CCSCCOC(=O)C1=C(C)N(C)C(=O)NC1c1cc(OC)ccc1OC,CID2863219,,,0.0,,,,,0.0,,,,,,,,,
CCCC1=C(C(=O)OCC)C(c2cc(Cl)cc(OC)c2OCC(=O)OCC)NC(=O)N1,CID2979376,,,,,,,,,,,,,,0.0,,,
CCCOCCOC(=O)C1=C(C)NC(=O)NC1c1cc(Cl)c(O)c(OC)c1,CID2917288,,0.0,,0.0,,,,,,,,,0.0,,,0.0,
COCCOC(=O)C1=C(C)NC(=O)NC1c1c(F)cccc1Cl,CID2918921,,0.0,,,,,,,,,,,,,,0.0,
CCCOc1ccccc1C1NC(=O)NC(C)=C1C(=O)OCCOC,CID654417,,,,,,,,0.0,0.0,,,0.0,0.0,,,,0.0
CC1=C(C(=O)N(C)C)C(c2ccc(Cl)c(Cl)c2)NC(=O)N1,CID3000077,0.0,,,,,,0.0,,,,,,0.0,,,,
CCOC(=O)COc1c(OC)cc(Cl)cc1C1NC(=O)NC(C)=C1C(C)=O,CID2959154,,,,0.0,,,0.0,,,,,,,,,0.0,
CCOC(=O)C1=C(C)N(C)C(=O)NC1c1ccccc1OC,CID2864928,,,,0.0,,,0.0,,,0.0,,0.0,,,,,0.0
CCOC(=O)COc1ccc(Cl)cc1C1NC(=O)NC(C)=C1C(C)=O,CID2982352,,,,,,,,,,,,0.0,,,,0.0,0.0
CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(NC(C)=O)cc1,CID648483,0.0,0.0,,0.0,,,0.0,0.0,,,,,,,,,
COCCOC(=O)C1=C(C)NC(=O)NC1c1ccc(Cl)cc1,CID2855826,0.0,0.0,,,,,,,,,,,0.0,,,0.0,0.0
CCCCOc1ccccc1C1NC(=O)NC(C)=C1C(=O)OCCOC,CID2854644,0.0,,,,,,,0.0,,,,,,,,,
COc1cccc(C2NC(=O)NC(C)=C2C(=O)OCCSC)c1OC,CID2854513,,,,0.0,0.0,,,,,,,,,,,,
C=CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(Cl)cc1,CID2854561,0.0,,,,,0.0,,,,0.0,,,,,,0.0,0.0
COc1cc(Cl)cc(C2NC(=O)NC(C)=C2C(C)=O)c1OCC(=O)O,CID2962515,,,,,,,,,,,0.0,,,,,,
COC(=O)C1=C(C)C(c2ccc(OC)cc2OC)NC(=O)N1,CID646996,0.0,,0.0,0.0,0.0,,0.0,,,,,0.0,,,,0.0,
O=C(c1ccccc1Cl)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1,CID2891292,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1,CID670716,0.0,,,,,,,0.0,,,,0.0,,,,,
CCC(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3C)CC2)cc1,CID1091589,0.0,0.0,,0.0,,,,,,0.0,,0.0,0.0,,,,
CCCCCC(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1,CID2967232,0.0,0.0,,,,,,,,,,0.0,,,,,
COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1OC,CID709847,0.0,,0.0,,,0.0,,,,,,,,,,,
CN(C)c1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,CID678575,,,,,,0.0,,,,,,,,,,,
CO/N=C/c1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1,CID2768215,,,,,,,,,,,,0.0,,,,,
CO/N=C/c1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)c([N+](=O)[O-])c1,CID2768218,,,,,,0.0,,,,,,,,,,,
CCOc1ccccc1N1CCN(C(=O)c2ccccc2)CC1,CID898362,0.0,0.0,,,,,,0.0,,,,0.0,0.0,,0.0,,
CCSc1ccccc1C(=O)N1CCN(c2ccccc2F)CC1,CID971995,,0.0,,,,,0.0,,,,0.0,,,,,0.0,0.0
O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(c2ccccc2)CC1,CID767837,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1,CID597213,,,,,,,,,,,,,,0.0,,,
CCC(=O)c1ccc(N2CCN(C(=O)c3ccccc3Br)CC2)c(F)c1,CID545020,,,,,,,,,,,,,,,0.0,,
O=C(c1c(F)cccc1F)N1CCN(c2ccccc2F)CC1,CID849685,,,,0.0,,,,,,,,,,,,,0.0
CCc1ccc(N2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1,CID1521366,0.0,,,,,,,0.0,,,0.0,,0.0,,,,
CCCC(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3C)CC2)cc1,CID2235682,,,0.0,0.0,,,,,,0.0,,0.0,,,,,0.0
COc1ccc(C(=O)N2CCN(c3ccc(C)cc3C)CC2)cc1OC,CID991756,0.0,,,,,,,,0.0,,,,,,,,
COc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c([N+](=O)[O-])c1,CID2974441,,,,,,,,,,,,,,,0.0,,
CCCOc1ccc(C(=O)N2CCN(c3ccc(NC(=O)CC)cc3Cl)CC2)cc1,CID2956580,0.0,,,0.0,,,,,,,,,0.0,,0.0,,0.0
CN(C)c1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1,CID2858125,,,,,,0.0,,,,,,,,,,,
CSc1ccccc1C(=O)N1CCN(c2cccc(Cl)c2)CC1,CID2232058,,,,,,,,,,,,,,0.0,,,
COc1ccccc1N1CCN(C(=O)c2ccc(NC(C)=O)cc2)CC1,CID654481,0.0,0.0,0.0,,,,,,,,,0.0,,,,,
O=C(c1cccc(COCC(F)(F)C(F)F)c1)N1CCN(c2ccccc2)CC1,CID2165934,,,,,,,,,0.0,,,,,,,,0.0
O=C(c1c(F)cccc1F)N1CCN(c2cccc(C(F)(F)F)c2)CC1,CID1223721,,,,,,,,,0.0,,,,,,,,0.0
Cc1ccc(C)c(N2CCN(C(=O)c3ccccc3Br)CC2)c1,CID648181,0.0,,,,,,,,0.0,,0.0,,,,0.0,0.0,0.0
COc1ccccc1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1,CID1001404,,,,0.0,,,,,,,,,,0.0,,,
CSc1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1,CID2222303,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c(OC)c1,CID1354922,,,,0.0,,,,,,,,,,0.0,,0.0,0.0
CCCOc1ccc(C(=O)N2CCN(c3ccc(N)cc3Cl)CC2)cc1,CID2001334,0.0,0.0,0.0,0.0,,,0.0,0.0,,,,0.0,,,,0.0,0.0
COc1cc(OC)cc(C(=O)N2CCN(c3ccccc3F)CC2)c1,CID650236,,,,,,,,,,,,,0.0,,,,
COc1cc(C(=O)N2CCN(c3ccccc3OC)CC2)c([N+](=O)[O-])cc1OC,CID1116203,,,,,,,,,,,,,,,0.0,,
CCCc1ccc(C(=O)N2CCN(c3ccccc3OCC)CC2)cc1,CID1247133,0.0,,,,,,0.0,0.0,0.0,,,0.0,0.0,,,,
CC(=O)c1ccc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)c(F)c1,CID1239154,0.0,,,,,,0.0,,0.0,,,,,,,0.0,0.0
Cc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)c(C)c1,CID714895,,,0.0,,,,,,,,,,,,,,
Cc1ccc(N2CCN(C(=O)c3ccccc3Br)CC2)c(C)c1,CID1178555,0.0,,,,,,,,0.0,,0.0,,,,,,
C=CCN(c1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1)S(C)(=O)=O,CID2223129,,,,0.0,0.0,,,0.0,,,,0.0,0.0,,,,
CCCCC(=O)Nc1ccc(C(=O)N2CCN(c3ccccc3OC)CC2)cc1,CID2958069,0.0,0.0,0.0,,0.0,,,,0.0,,,0.0,,,,,
COc1ccc(C(=O)N2CCN(c3ccc(C)c(C)c3)CC2)cc1OC,CID991613,0.0,,0.0,,,,0.0,,,,,0.0,,,,,0.0
CN(c1ccccc1C(=O)N1CCN(c2cccc(Cl)c2)CC1)S(C)(=O)=O,CID1019162,0.0,,0.0,,0.0,,,,,,0.0,0.0,0.0,,0.0,,0.0
COc1cc(C(=O)N2CCN(c3ccc(C)cc3C)CC2)cc(OC)c1OC,CID1263319,,0.0,,,,,0.0,,0.0,,,,0.0,,,,
CO/N=C/c1ccc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)c([N+](=O)[O-])c1,CID2768221,,,,,,0.0,,,,,,,,,,,
O=C(c1ccccc1F)N1CCN(c2ccccc2F)CC1,CID1122132,,,,0.0,,,,,,,0.0,,,,,,
O=C(c1ccccc1F)N1CCN(c2ccccc2)CC1,CID823576,,,,,,,,,,0.0,,,0.0,,,,
COc1ccccc1N1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1,CID1105048,,,,,,,,,,,,,,,,,0.0
COc1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c([N+](=O)[O-])cc1OC,CID1927916,,,,,,0.0,,,,,,,,,,,
N#Cc1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)c(F)c1,CID713356,,,,0.0,,,0.0,,,,,,,,,,0.0
COc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)c([N+](=O)[O-])c1,CID2887949,,,,,,,,,,,,,,0.0,,,
O=C(c1ccccc1)N1CCN(c2ccc(Cl)cc2)CC1,CID259483,0.0,,,,,,,,,,0.0,,0.0,,,,0.0
Cc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1C,CID788974,0.0,0.0,0.0,0.0,,,,,,,,,,,,0.0,0.0
O=C(c1cccc(F)c1)N1CCN(c2cccc(Cl)c2)CC1,CID1122363,,,,,,,,,,,,,,,,0.0,0.0
CC(C)CC(=O)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1,CID1290444,0.0,,,,,,,0.0,,0.0,,0.0,,,,,
CCOc1cc(C(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)cc(OCC)c1OCC,CID2970301,0.0,,0.0,,0.0,,,0.0,0.0,0.0,,,,,0.0,0.0,
COc1ccccc1C(=O)N1CCN(c2cccc(Cl)c2)CC1,CID646835,,0.0,,,,,,,,,,,,0.0,,0.0,0.0
O=C(O)c1ccccc1C(=O)N1CCN(c2ccccc2)CC1,CID710257,0.0,,0.0,,,,,,0.0,,,0.0,,,,,
CCOc1cc(C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCC,CID1116274,,,,,,,,,0.0,,,0.0,,0.0,,,
CCOc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1OCC,CID1108337,0.0,,,0.0,,,0.0,,0.0,,,,,,,,
CCC(=O)c1ccc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)c(F)c1,CID1282870,0.0,,,,,,0.0,,,,,,,,,0.0,0.0
Cc1ccc(C(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1,CID2866992,,,,,,0.0,,,,,,,,,,,
CCOc1cc(OCC)cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1,CID2889322,,,,,,0.0,,,,,,,,,,,
O=C(O)c1ccccc1C(=O)N1CCN(c2cccc(Cl)c2)CC1,CID649874,,0.0,,,,,,,0.0,,,,,0.0,,,
COc1ccc(N2CCN(C(=O)c3ccc(C)cc3Cl)CC2)cc1,CID973622,,,,,,,,,,,,0.0,0.0,,,0.0,
CC(C)N(C(=O)COC(=O)c1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1)C(C)C,CID2997723,,,0.0,,,0.0,,,,,,,,,,,
COc1ccc(N2CCN(C(=O)c3ccc(C)c(Cl)c3)CC2)cc1,CID926662,,,,,,,,,,,,,0.0,0.0,,0.0,0.0
CCOc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,CID710515,,,,,,,,,,,,,,,0.0,,
O=C(c1ccccc1Br)N1CCN(c2ccccc2)CC1,CID749128,0.0,,,,,,0.0,,0.0,,0.0,0.0,,,0.0,0.0,
CCCC(=O)c1ccc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)c(F)c1,CID613159,0.0,,,,,,0.0,,,,,,,,,0.0,
Cc1c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cccc1[N+](=O)[O-],CID1103953,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1C,CID669360,0.0,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)N2CCN(c3c(C)cccc3C)CC2)cc1OC,CID1262765,0.0,,,,,,0.0,,,0.0,,0.0,,,,,
CN(c1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1)S(C)(=O)=O,CID1304049,,,0.0,,,,,,,,,,,,,,0.0
CCCCOc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1,CID2889383,,,,,,0.0,,,,,,,,,,,
O=C(c1ccccc1F)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1,CID2891481,,,,,,0.0,,,,,,,,,,,
O=C(c1cccc(Cl)c1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1,CID2890995,,,,,,0.0,,,,,,,,,,,
CS(=O)(=O)Nc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1,CID1252931,,,,,,,,,,,0.0,,,0.0,,,
CCCC(=O)c1ccc(N2CCN(C(=O)c3ccccc3Br)CC2)c(F)c1,CID613157,,,,,,,,,0.0,,,,,,0.0,0.0,
CCCC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(F)c1,CID613152,,,,,,,0.0,0.0,,,,0.0,,,,,
O=C(c1ccccc1F)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1,CID579225,,,,,,0.0,,,,,,,,,,,
CCCC(=O)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1,CID655142,,0.0,,,,0.0,,,,,,0.0,,,0.0,,0.0
O=C(c1ccccc1)N1CCN(c2ccccc2F)CC1,CID2261366,,,,0.0,,,,0.0,,,,,,,,,
Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1,CID938252,,,,,,,,,,,,0.0,,,,,
COc1cc(C(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)cc(OC)c1OC,CID1265525,0.0,,,,,,,,,,,,,,,,
CC(C)C(=O)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1,CID1265528,0.0,0.0,0.0,,,,,,,,,0.0,0.0,,,,0.0
COc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1,CID585383,,,,,,,,,,,,,,,0.0,,
CC(C)C(=O)NC(=S)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1,CID2227771,,,,,,,,,,,,,,,0.0,,
COc1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc(OC)c1OC,CID1262756,0.0,,,,,,0.0,,,,,,0.0,,,,
Cc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(C)c1,CID892637,,,,,,,,0.0,,,,,,,0.0,,
Cc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,CID770375,,,,,,,,,,,,,0.0,,,0.0,0.0
COc1ccc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1,CID1316101,,,,,,,,,,,,0.0,,,,,
CC(C)(C)C(=O)Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1,CID1307505,,,,0.0,0.0,,,,,,,,0.0,,,,0.0
CCOc1ccccc1C(=O)N1CCN(c2cccc(Cl)c2)CC1,CID871395,0.0,,,,,,,,,,,,0.0,,,,0.0
CCOCCCNC(=O)c1c[nH]c2cc(C)ccc2c1=O,CID648897,,,,0.0,,,,,0.0,,,,0.0,,,,0.0
CCN(CC)Cc1c(C)[nH]c2ccc(OC)cc2c1=O,CID608398,,,,,,,,,,,,,,,,0.0,
COCCN(CCOC)Cc1c(C)[nH]c2c(C)c(C)ccc2c1=O,CID1569343,,,,,,0.0,,0.0,,0.0,0.0,,,,,,
CCOC(=O)c1ccc2[nH]c(C)cc(=O)c2c1,CID232605,,0.0,0.0,,,,0.0,0.0,,0.0,,,0.0,,,0.0,
C=CCn1cc(C(=O)NCCOC)c(=O)c2cc(S(=O)(=O)N(CC)CC)ccc21,CID3237868,,0.0,,,,,,,0.0,,,,0.0,,,0.0,0.0
CCCCCCC(=O)Nc1c(O)[nH]c2ccccc2c1=O,CID653977,,0.0,,0.0,,0.0,,0.0,,,,,,,,,
COCCNC(=O)c1c[nH]c2ccc(OC)cc2c1=O,CID650613,,,0.0,,0.0,,,,,,,,,,,,
CCn1cc(C(=O)O)c(=O)c2cc(Br)ccc21,CID764592,,,,,,,,,0.0,,,0.0,,,,,
CCCCCOC(=O)Cc1c(O)[nH]c2ccccc2c1=O,CID653066,,,0.0,,0.0,,,0.0,,,,,,,,0.0,0.0
CCN(CC)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)NCCCOC)cn2C,CID3240574,,0.0,,,,,,,0.0,,,,,,,0.0,
CCc1ccc2[nH]cc(C(=O)OCCOC)c(=O)c2c1,CID654210,,,0.0,,,,,,,,,,,,,0.0,
CCCCN(C)C(=O)c1cn(CC)c2ccc(S(=O)(=O)N(C)C)cc2c1=O,CID5308902,0.0,,0.0,,,,,,,,,,,,,,
CCOC(=O)c1c[nH]c2ccc(OCC)cc2c1=O,CID721188,,,,,,0.0,,,,,,,,,,,
CCCCc1c(O)[nH]c2ccccc2c1=O,CID650731,,,,,,0.0,0.0,,,0.0,0.0,,,,,0.0,
CCOC(=O)Cn1c(C)cc(=O)c2cccc(C)c21,CID892728,,,,,,0.0,0.0,0.0,,,,,0.0,,,0.0,
CCOC(=O)Cn1c(C)cc(=O)c2ccccc21,CID950806,,,,,,0.0,,,,0.0,,,,,,,
CCc1c(C)[nH]c2ccccc2c1=O,CID599120,,0.0,,,,,,,,,,,,,,0.0,
CC(=O)c1c[nH]c2ccc(C)cc2c1=O,CID3243839,,,0.0,,,,,0.0,,,,,,,0.0,,
COc1cccc2c(=O)c(C(=O)O)c[nH]c12,CID255290,,,,,,,,,,,,0.0,,,,,
CCOC(=O)Cn1c(C)c(Br)c(=O)c2cccc(C)c21,CID661546,0.0,,,,,,,,,,,0.0,,,,,
CCCCn1c(O)cc(=O)c2ccccc21,CID80818,,,,,,,,,,,,,0.0,,,0.0,
O=c1cc[nH]c2cc(Cl)ccc12,CID66593,,,,,,,,,,,,,,0.0,,,
CN(C)c1ccc2c(=O)cc(O)n(C)c2c1,CID910651,,,,,,,0.0,,,,,,,,,,
C=CCn1cc(C(=O)NCCCOCC)c(=O)c2cc(S(=O)(=O)N(CC)CC)ccc21,CID3244923,,,0.0,,,0.0,0.0,,,,,,0.0,,,,
C=CCc1c(C)[nH]c2ccc(C)cc2c1=O,CID870380,,,,,,,0.0,0.0,,,,,0.0,,,0.0,
CCn1c(O)cc(=O)c2ccccc21,CID555670,,,,0.0,,,,,,,,,,,,,
CCCCN(C)Cc1c(C)[nH]c2ccc(OCC)cc2c1=O,CID1566039,,,,0.0,,,,0.0,,0.0,,,,,,,
CCCCCCn1cc(C(=O)O)c(=O)c2ccccc21,CID658505,,,,,,,,,,,,,,,,,0.0
CCCCN(C)C(=O)c1cn(C)c2ccc(S(=O)(=O)N(C)C)cc2c1=O,CID5309484,,,,,,,,,,,,,,,0.0,,
CCCc1c(C)[nH]c2c(OC)cccc2c1=O,CID768487,,,,,,0.0,,,,,,,,,,,
CCCOC(=O)Cc1c(O)[nH]c2ccccc2c1=O,CID645329,,,,,0.0,,,,,,,,,,,0.0,
CCCCOC(=O)Cc1c(O)[nH]c2ccccc2c1=O,CID1597617,,,0.0,,0.0,0.0,0.0,,,,,,,,,,
CCn1cc(C(=O)NCCCOC)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21,CID5307630,,,,,,,,0.0,,,,,,,,0.0,
CCOC(=O)c1ccc2[nH]cc(C(C)=O)c(=O)c2c1,CID3245723,,,,,,,,,,,0.0,,,,,0.0,
CCCCCCNC(=O)Cc1c(O)[nH]c2ccccc2c1=O,CID657533,,,,0.0,,,0.0,0.0,,,,,,,,,
CCOC(=O)c1c(C)n(O)c2ccc(Cl)cc2c1=O,CID616549,,0.0,,0.0,,,,,,0.0,,,,0.0,,,0.0
CCOC(=O)c1c[nH]c2c(Cl)ccc(Cl)c2c1=O,CID718677,,,,,,,,,,,,,0.0,,,,
CCN(CC)CCNC(=O)c1cn(CC)c2ccc(S(=O)(=O)N(C)C)cc2c1=O,CID5308234,,,,,,,0.0,,,,,,,,,,
COc1cccc2c(=O)c(C/C=C(/C)Cl)c(C)[nH]c12,CID760847,,0.0,,0.0,,,,,,,,,,,,,0.0
CCCCN(CC)Cc1c(C)[nH]c2ccccc2c1=O,CID1560373,,,0.0,,,,,0.0,,,,,,,,,
CCC(C)NC(=O)c1cn(CC)c2ccc(S(=O)(=O)N(C)C)cc2c1=O,CID5308121,,,0.0,,,,,,,,,,,,,,
Cc1cc(=O)c2cc(Br)ccc2[nH]1,CID2905902,,,,,,,,,,,,0.0,,,,,
CCN(CC)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)NCCOC)cn2C,CID3241869,,,,0.0,,,,,,,,,,,,0.0,0.0
Cc1[nH]c2c(C)cccc2c(=O)c1Br,CID660333,0.0,,,,,,,,,,,,,,,0.0,
COC(=O)c1ccc2[nH]c(C)cc(=O)c2c1,CID650576,,,,,,0.0,,,,,,,,0.0,,0.0,
Cc1cc(=O)c2ccc(Cl)cc2[nH]1,CID761550,,,,,,,,,,,,,,0.0,,,
O=C(O)c1c[nH]c2cc(C(F)(F)F)ccc2c1=O,CID68459,,,,,,,,,0.0,,,,,,,,
CCOC(=O)c1cn(CC)c2ccc(Br)cc2c1=O,CID619729,0.0,,,,,,,,,,,0.0,,,,0.0,0.0
Cn1c(O)c(S(=O)(=O)C(C)(C)C)c(=O)c2ccccc21,CID824980,,,,,,,,,,,,,,0.0,,,
CC(=O)Nc1ccc2[nH]c(C)cc(=O)c2c1,CID308136,,,,,,,,,,,0.0,,,,,,
O=C(O)c1c[nH]c2c(C(F)(F)F)cccc2c1=O,CID90260,,,,,,,,,0.0,,,,,,,,
Cc1[nH]c2ccc(F)cc2c(=O)c1SC(F)(F)C(F)F,CID709462,,,,,,,,,,,,,,,,,0.0
CCOC(=O)c1c[nH]c2c(C)ccc(Cl)c2c1=O,CID612975,,,,,,,,,,,,,,,0.0,,
CCCCC(=O)Nc1c(O)[nH]c2ccccc2c1=O,CID600498,0.0,0.0,,,0.0,,,0.0,,0.0,,,,,,,
C=CCn1cc(C(=O)NCCCOC)c(=O)c2cc(S(=O)(=O)N(CC)CC)ccc21,CID3241574,,,0.0,,,,,0.0,,0.0,,,,,,,0.0
C=CCN(CC=C)Cc1c(C)[nH]c2ccc(C(=O)OCC)cc2c1=O,CID731043,,,,,,0.0,,,,,,,,,,,
CCn1c(O)c(C(=O)NC(C)C)c(=O)c2ccccc21,CID867539,,,,,,,,,,,,,,,0.0,,
CCCCCOC(=O)Cc1c(O)n(C)c2ccccc2c1=O,CID667262,,0.0,,,,,,,,,,,0.0,,,0.0,0.0
CCc1c(C)[nH]c2c(C)cccc2c1=O,CID760851,,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1ccc2[nH]c(C)c(CCC(C)=O)c(=O)c2c1,CID868130,,,,,,,,,,,0.0,,,,,0.0,
CCN(CC)CCCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N(C)C)cc2c1=O,CID5308135,,,0.0,,,,,,,,,,,,,,
CCN(CC)C(=O)c1cn(C)c2ccc(S(=O)(=O)N(CC)CC)cc2c1=O,CID3244600,,,,,,,,,,0.0,0.0,,,,,,0.0
Cc1cc(=O)c2cc(Cl)ccc2[nH]1,CID606400,,,0.0,,,,,,,0.0,,,,0.0,,,
CCCCN(C)Cc1c(C)[nH]c2c(Cl)cccc2c1=O,CID1560394,0.0,,,,,,,,,0.0,,,,,,0.0,
CCn1cc(C(=O)O)c(=O)c2cc(OC)ccc21,CID659219,,,,0.0,,,,,,,,0.0,,,,,
CCOc1ccc2[nH]cc(C(=O)O)c(=O)c2c1,CID648345,,0.0,,,,,,,,,,,,,,0.0,
CCCCCCc1c(O)[nH]c2ccccc2c1=O,CID648341,,,0.0,,,,,,,,,,0.0,,,,
CCCC(=O)Nc1c(O)[nH]c2ccccc2c1=O,CID647684,,,0.0,0.0,0.0,0.0,0.0,,,0.0,,0.0,,,,,
CCn1c(O)c(C(=O)NCCCO)c(=O)c2ccccc21,CID646105,,0.0,0.0,,,,,0.0,0.0,,,,,,,,
CCOc1ccc2[nH]c(C)cc(=O)c2c1,CID730934,,,,,,,,,,,,,0.0,,,0.0,
CC(=O)CCc1c(C)[nH]c2ccccc2c1=O,CID790307,,,0.0,0.0,,,,,,0.0,0.0,,,,,0.0,
CCCOc1ccc2[nH]cc(C(=O)O)c(=O)c2c1,CID654471,,,,,,,,0.0,,,,,,0.0,,0.0,
CC(C)COC(=O)Cc1c(O)[nH]c2ccccc2c1=O,CID805431,,,0.0,,0.0,0.0,,0.0,,,,,,,,0.0,
Cc1cc(=O)c2cccc(Br)c2[nH]1,CID843748,,,,,,,,,,,,0.0,,,,,
CCc1c(C)[nH]c2ccc(C)cc2c1=O,CID757913,,,0.0,,,,,,,0.0,,,,,,,
CCOc1ccc2[nH]c(C)c(CN(C)C)c(=O)c2c1,CID696535,,,,0.0,,,0.0,0.0,,,,,,,,0.0,
O=c1cc[nH]c2cc(C(F)(F)F)ccc12,CID67582,,,,0.0,,,,,,,,,,,,,
CCCCCc1c(O)[nH]c2ccccc2c1=O,CID652496,,,,,,,,,,,,,,,,0.0,
CCCc1c(C)[nH]c2ccccc2c1=O,CID826058,,,,,,0.0,,,,,,,,,,,
COCCN(CCOC)Cc1c(C)[nH]c2ccccc2c1=O,CID1560367,,,,0.0,,,,0.0,,,,,0.0,,,,
CCCCn1c(O)c(C(C)=O)c(=O)c2ccccc21,CID2785070,,,,,,,,,,,,,,,0.0,,
CC(=O)CCc1c(C)[nH]c2ccc(NC(C)=O)cc2c1=O,CID868022,,,0.0,0.0,,,0.0,,,0.0,,,0.0,,,,
O=c1cc[nH]c2c(C(F)(F)F)cccc12,CID90261,,,,,,,,,0.0,,,,,,,,0.0
Cn1c(O)c(C(=O)NCCO)c(=O)c2ccccc21,CID1897487,,,,0.0,0.0,,,,,,,,,,,,
CCCCN(C)Cc1c(C)[nH]c2ccc(Cl)cc2c1=O,CID1564494,0.0,,,,,,,,,0.0,0.0,,,,,0.0,
COCCNC(=O)c1c[nH]c2cc(OC)c(OC)cc2c1=O,CID646301,,,,,0.0,,,,,,,,,,0.0,,
C=CCn1cc(C(=O)OC)c(=O)c2cc(S(=O)(=O)N(CC)CC)ccc21,CID6624355,,,,,,,,,,0.0,,,,,,,
CN(c1ccc(C(=O)NCc2ccccc2)cc1)S(C)(=O)=O,CID894251,0.0,0.0,,0.0,,,0.0,0.0,0.0,,,0.0,,,,,0.0
Cc1ccccc1CNC(=O)c1ccccc1N,CID1265761,,,,,,0.0,,,,0.0,,0.0,,,,,
COc1cccc(C(=O)NCc2ccccc2OC)c1,CID743724,,,,,,0.0,0.0,,0.0,,,,0.0,,,0.0,0.0
COc1cc(SC)ccc1C(=O)NCc1ccccc1,CID842265,,,,,,,,,,,,,,0.0,,,
COC(=O)C(NC(=O)c1ccccc1)c1ccccc1,CID2832357,,,,,,,0.0,,0.0,,,,0.0,,0.0,0.0,
Cc1ccc(CNC(=O)c2ccccc2NS(C)(=O)=O)cc1,CID2223353,,0.0,0.0,,0.0,,,,0.0,,,,,,,0.0,
CS(=O)(=O)c1cccc(C(=O)NCc2ccccc2)c1,CID2598128,,,0.0,0.0,0.0,,,0.0,0.0,,,,,,,,
COc1ccccc1CNC(=O)c1ccccc1N(C)S(C)(=O)=O,CID958647,,,,,,,,,0.0,,,,,,,,
CCc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1,CID2097068,,,,,,,,,,,,,,0.0,,,
CCCOc1ccc(C(=O)NCc2ccccc2)cc1,CID1903249,,,,,,0.0,,,,,,,,,,,
C=CCC(CC=C)(NC(=O)c1ccccc1)c1ccccc1,CID1225154,,,,,,0.0,,,,,,,,,,,
CN(C)c1ccc(C(CC(=O)O)NC(=O)c2ccc(Cl)cc2)cc1,CID648865,0.0,0.0,0.0,,,,,,,,,,,0.0,,,
CSc1ccccc1C(=O)NCc1ccc(S(N)(=O)=O)cc1,CID2572183,,,,,,,,,,0.0,0.0,,,,,,
CN(C)S(=O)(=O)c1ccc(C(=O)NCc2ccccc2)cc1,CID1548246,0.0,,0.0,0.0,,0.0,0.0,,,,0.0,,,,,0.0,0.0
CCSc1ccccc1C(=O)NCc1ccc(S(N)(=O)=O)cc1,CID2211720,,,,,0.0,,,,,0.0,,,,,,,
CS(=O)(=O)c1ccc(C(=O)NCc2ccccc2F)cc1,CID2438721,,,,,,,,,,,,,,,0.0,,
Cc1cccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c1[N+](=O)[O-],CID889596,,,,,,,,,,,,,,0.0,,,
CN(Cc1ccccc1)C(=O)c1ccccc1C(=O)O,CID359327,,,,,,,,,,,,,,0.0,,,
Cc1cc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)ccc1[N+](=O)[O-],CID788813,,,,,,,,,,,,,,0.0,,,
CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2ccc(C)cc2)cc1,CID2671752,,,,,,0.0,,,,,0.0,0.0,,0.0,,,
CN(Cc1cccc(F)c1)C(=O)c1ccc(S(=O)(=O)C(F)F)cc1,CID2534448,,,,,0.0,,,,,,,0.0,,,,,0.0
COc1ccc(CNC(=O)c2ccc(Br)cc2)cc1,CID698465,,,,,,,,,,,,,,,0.0,,
COc1cc(SC)ccc1C(=O)N(C)Cc1ccccc1,CID670178,,,,,,0.0,,,,,,,,,,,
Nc1ccccc1C(=O)NCc1ccc(Cl)cc1,CID7312564,,,,,,,,,,,,,,0.0,,,
COc1cccc(CNC(=O)c2ccccc2N)c1,CID1265989,0.0,,,0.0,,,,,,,,0.0,,,0.0,,
COc1ccc(C(=O)NCc2ccccc2OC)cc1,CID796001,,,0.0,,,,0.0,0.0,0.0,0.0,,,0.0,,,0.0,0.0
CSCc1ccc(C(=O)NCc2ccccc2)cc1,CID2542193,,,,,,,,,,,,,,,0.0,,
CC(=O)Nc1cccc(C(=O)NC(C)c2ccc(S(N)(=O)=O)cc2)c1,CID4965552,,,,,,,,,,,,,,0.0,,,
CS(=O)(=O)c1cccc(C(=O)NCc2ccc(F)cc2)c1,CID2668518,,,,,,,,,,,,0.0,,,,,
COc1ccc(C(=O)NCc2ccccc2)cc1Br,CID878032,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(C)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC,CID2893878,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1[N+](=O)[O-],CID2169717,,,,,,,,,,,,,,0.0,,,
O=C(NCc1ccccc1)c1c(F)c(F)c(F)c(F)c1F,CID658155,,,,,,,,,0.0,,,,,,,,0.0
COc1ccc(CNC(=O)c2ccc(C(C)C)cc2)cc1,CID897223,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(C)NC(=O)c2ccc(OC)c(OC)c2)cc1,CID2876811,,,,,,0.0,,,,,,,,,,,
Cc1ccccc1C(=O)N(C)Cc1ccccc1,CID779170,0.0,,,,,,0.0,0.0,0.0,0.0,,,,,,0.0,
COc1cc(SC)ccc1C(=O)NCc1ccc(C)cc1,CID670832,,,,,,0.0,,,,,,,,,,,
Cc1ccc(CNC(=O)c2cccc(S(C)(=O)=O)c2)cc1,CID2671641,,,,,,,,,,,,0.0,,,,,
COc1ccccc1CNC(=O)c1ccc(SC)cc1OC,CID821054,,,,,,,,,,,,0.0,,,,,
COc1ccc(CNC(=O)c2cccc(F)c2)cc1,CID877429,,,,,,0.0,,,,,,,,,,,
COc1ccc(CNC(=O)c2cccc(N(C)C)c2)cc1,CID690514,,,,,0.0,,,,,0.0,,,,,,0.0,
COc1ccccc1CNC(=O)c1cccc(N(C)C)c1,CID690515,,,,,,,,,,,,0.0,,,,,
CCN(Cc1ccccc1)C(=O)c1ccccc1C,CID576969,,,,,,,0.0,0.0,,0.0,,,0.0,,,0.0,
Cc1ccc(CNC(=O)c2ccccc2N)cc1,CID2431998,,,,,,,,,,,0.0,0.0,,,,,
Cc1ccccc1CNC(=O)c1ccccc1,CID789725,,,,,,0.0,,,0.0,0.0,0.0,,,,,,
Cc1cccc(CNC(=O)c2ccccc2N)c1,CID1242027,0.0,,,0.0,,,,,,,,0.0,,,,,
CC(C)(C)N(Cc1ccccc1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-],CID891361,,,,,,,,,,,,,,0.0,,,
COCCSc1ccccc1C(=O)NCc1ccc(S(N)(=O)=O)cc1,CID2218467,,,,,,,,,,0.0,,,,,,,
CS(=O)(=O)NCc1ccc(C(=O)NCc2ccccc2)cc1,CID715098,,,,0.0,0.0,,,0.0,0.0,,,,,,,0.0,
COc1ccccc1CNC(=O)c1ccccc1OC,CID795571,,,,,,,,,0.0,0.0,,,,,,,
COc1ccc(CNC(=O)c2ccccc2SC)cc1,CID1265563,,0.0,,,0.0,,0.0,,,0.0,,,,,,,
Cc1ccccc1CNC(=O)c1ccccc1C,CID881366,,,,,,,,,0.0,0.0,,,,,,,
CCOc1ccc(C(C)NC(=O)c2ccccc2F)cc1,CID2893720,,,,,,,,,,,,,,0.0,,,
O=C(O)c1ccccc1C(=O)NCc1ccccc1,CID2054808,,,,,,,,,,0.0,,,0.0,,,,
COc1ccccc1CNC(=O)c1ccccc1NS(C)(=O)=O,CID2235034,,,,,,,,,0.0,,,,,,,,
COc1ccc(C(C)NC(=O)c2ccccc2)cc1,CID2854145,,,,,,,,,0.0,0.0,0.0,,,,,,
COc1ccc(C(CC(=O)O)NC(=O)c2ccccc2)cc1OC,CID3240775,,,,,,,,0.0,,,,,,,,,
CC(NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1,CID2914743,,0.0,0.0,0.0,,,0.0,0.0,0.0,0.0,0.0,0.0,,,,,
CC(NC(=O)c1ccccc1NS(C)(=O)=O)c1ccccc1,CID2947979,,,,0.0,0.0,,0.0,,,0.0,,,,,,0.0,
CC(C)C(=O)Nc1cccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c1,CID1305218,,,,,,,,0.0,,,,,,,,,
COc1cc(Br)c(C(C)NC(=O)c2ccc(C)cc2)cc1OC,CID4217744,,,,,,,,,,,,,,,0.0,,
COc1ccccc1CNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1,CID2713344,0.0,,,,,,,,,,,,,,,0.0,
CCSc1ccccc1C(=O)NCc1ccc(OC)cc1,CID978212,,,,,,,,,,,,,,0.0,,,
O=C(NCc1ccccc1)c1ccc(Cl)cc1[N+](=O)[O-],CID789173,,,,,,,,,,,,0.0,,0.0,,,
C=CCOC(=O)CC(NC(=O)c1ccccc1)c1ccccc1,CID3672271,,0.0,,,,,,0.0,,,0.0,,,,,,
Cc1ccc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1,CID903076,,,,,,0.0,,,,,,,,0.0,,,
COc1cccc(OC)c1C(=O)NC(C)c1ccccc1,CID2841939,,,,,,,,,,,0.0,,,,,,
CNC(=O)Nc1ccccc1C(=O)NCc1ccccc1,CID665300,0.0,0.0,,0.0,,,,0.0,,,,0.0,,,,0.0,
Nc1ccccc1C(=O)NCc1ccccc1,CID230755,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(=O)NCc2ccccc2OC)c(OC)c1,CID795368,,0.0,0.0,,,,,,,0.0,,0.0,,,,0.0,0.0
CCC(NC(=O)c1ccccc1O)c1ccccc1,CID2961465,,,,0.0,,,0.0,,,0.0,,,,,,0.0,0.0
COc1ccccc1C(=O)NCc1ccccc1,CID700577,,,,,,,,,0.0,0.0,,,,,,,
COc1ccccc1C(=O)NC(C)c1ccccc1,CID2826770,,,,,,,,,0.0,,0.0,,,,,,
CCOc1cccc(C(=O)NCc2ccccc2)c1,CID4957414,,,,,,,,,,,,,,0.0,,,
O=C(O)/C=C\C(=O)Nc1ccccc1C(=O)NCc1ccccc1,CID1820279,,,,,,,,,0.0,,0.0,,,,,,
COc1ccc(C(CC(=O)O)NC(=O)c2ccccc2[N+](=O)[O-])cc1,CID4056100,,,,,,,,,,,,,,,0.0,,
O=C(O)c1ccccc1C(=O)NCc1ccc(F)cc1,CID3240677,,,,,,0.0,0.0,0.0,,,,,,,,,
COc1ccccc1CNC(=O)c1ccccc1N,CID2224559,,,,,,,,,,0.0,,0.0,,,,,
O=C(NCc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1Cl,CID881163,,,,,,,,,,,,,,0.0,,,
COC(=O)CC(NC(=O)c1ccc(C)cc1)c1ccccc1,CID2834578,,,,,,,,,,,,,,,0.0,,
CC(C)c1ccc(C(=O)NCc2ccc(Cl)cc2)cc1,CID897873,,,,,,,,,,,,,,0.0,,,
CCOC(=O)CC(NC(=O)c1ccc(C)cc1)c1ccc(C)cc1,CID5207633,,,,,,0.0,,,,,,0.0,,,,,
COc1ccccc1CNC(=O)c1ccc(NS(C)(=O)=O)cc1,CID1253212,,,0.0,,0.0,,0.0,,0.0,,,,,,,0.0,
CCN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1,CID779809,,,,,,0.0,,,,,,,,,,,
COC(=O)c1cc(CNC(=O)c2ccccc2Cl)ccc1OC,CID2452582,,,,,,,,,,,,,,0.0,,,
CC(NC(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccccc1,CID2964562,,,0.0,0.0,0.0,,0.0,0.0,,,,,,,,0.0,
CCOc1ccc(C2CC(c3cccc(C)c3)N3NC(N)=NC3=N2)cc1,CID5307395,,,0.0,,,,,,,,,,,0.0,,,
Cc1cccc(C2CC(c3ccc(F)cc3)N=C3N=CNN32)c1,CID5309501,,,,,,,,,,,,,,,,0.0,
COc1cccc(C2CC(c3ccccc3)N=C3N=CNN32)c1,CID5308148,,,,,,,,,,0.0,,,,,,0.0,
COCC(=O)NC1=NC2=NC(c3ccc(OC)cc3)CC(c3ccccc3)N2N1,CID5389717,,,,0.0,,,,,,,,,,,,,
COc1cccc(C2CC(c3ccc(C(C)C)cc3)N3NC(N)=NC3=N2)c1,CID5307634,,,0.0,,,,,,,,,,,,,,
CCc1ccc(C2CC(c3cccc(OC)c3)N3NC(N)=NC3=N2)cc1,CID5309724,,,0.0,,,,,,,,,,,,,,
COc1ccc(C2CC(c3cccc(C)c3)N3NC(N)=NC3=N2)cc1,CID5309891,,,0.0,,,,,,,,,,,,,,
COc1ccc(C2CC(c3cccc(C)c3)N3NC=NC3=N2)cc1,CID5309342,,,,0.0,,,,,,,,,,,,0.0,
CCOc1ccc(C2CC(c3cccc(OC)c3)N3NC(N)=NC3=N2)cc1,CID5309914,,,,,,,,,,,,,,,,,0.0
CCOc1ccc(C2CC(c3cccc(Cl)c3)N3NC(N)=NC3=N2)cc1,CID5307855,,,,,,,,,,,0.0,,,,,,
CCOc1ccc(C2CC(c3ccc(Br)cc3)N=C3N=C(N)NN32)cc1,CID5738775,,,,,,,0.0,,,,,,,,,,
COc1ccccc1C1CC(c2ccc(F)cc2)N=C2N=CNN21,CID5389524,,0.0,,,,,,,,,,,,,0.0,,
COc1cccc(C2CC(c3cccc(OC)c3)N3NC(N)=NC3=N2)c1,CID5309198,,,,,,,,,,,,,,,,0.0,
Cc1ccc(C2CC(c3cccc(C)c3)N3NC=NC3=N2)cc1,CID5308978,,,,0.0,,,,,,,,,,,0.0,0.0,
CCOc1ccccc1C1CC(c2ccc(Cl)cc2)N=C2N=C(N)NN21,CID5309371,,,,,,,,,,,,,,,,0.0,
Cc1cccc(C2CC(c3ccccc3)N=C3N=CNN32)c1,CID5308581,,,,0.0,,,,,,,,,,,,0.0,
CCc1ccc(C2CC(c3ccccc3)N=C3N=C(N)NN32)cc1,CID5307792,,,,,,,,,,,0.0,,,,,0.0,
Cc1cccc(C2CC(c3ccc(Cl)cc3)N=C3N=C(N)NN32)c1,CID5309236,,,,,,,,,,,,,,,,0.0,
COc1ccccc1C1CC(c2ccccc2)N=C2N=CNN21,CID5389567,,0.0,,,,,,,0.0,,,,,,,,
Cc1ccc(C2CC(c3ccc(Cl)cc3)N3NC(N)=NC3=N2)cc1,CID5308206,,,,,,,,,,,0.0,,,,,0.0,
Cc1ccccc1C1CC(c2ccccc2)N=C2N=CNN21,CID5308907,,,,,,,,0.0,,,0.0,,,,,0.0,
Cc1ccc(C2CC(c3ccc(C)cc3)N3NC(N)=NC3=N2)cc1,CID5309711,,,,,,,0.0,,,,,,,,,,
NC1=NC2=NC(c3ccc(F)cc3)CC(c3cccc(Br)c3)N2N1,CID5307432,0.0,,,,,,,,,,,,,,,,
Clc1ccc(C2CC(c3ccccc3)N=C3N=CNN32)cc1,CID5308142,,0.0,,,,,,,,,,,,,,0.0,
COc1cccc(C2CC(c3ccccc3OC)N3NC=NC3=N2)c1,CID5308537,,,,,,,,,,,,,,,,0.0,
CCc1ccc(C2CC(c3cccc(Cl)c3)N3NC(N)=NC3=N2)cc1,CID5307677,,,,,,,0.0,,,,,,,,,0.0,
Fc1ccc(C2CC(c3ccc(F)cc3)N3NC=NC3=N2)cc1,CID5389655,,,,0.0,,,0.0,,,,,,,,,,
COc1cccc(C2CC(c3ccccc3Cl)N=C3N=CNN32)c1,CID5307583,0.0,,,,,,,,,,,0.0,,,,0.0,
NC1=NC2=NC(c3ccc(F)cc3)CC(c3ccc(Cl)cc3)N2N1,CID5308030,,,,,,,,,,,0.0,,,,,0.0,
COc1ccc(C2CC(c3ccc(Cl)cc3Cl)N3NC(N)=NC3=N2)cc1,CID5309078,,,,,,,,,,,,,,,,0.0,
C1=NC2=NC(c3ccccc3)CC(c3ccccc3)N2N1,CID5374298,,,,,,,,,,,,,,,,,0.0
COc1cccc(C2CC(c3ccccc3Cl)N3NC=NC3=N2)c1,CID5771462,,,,,,,,,,0.0,,,,,,,
COCC(=O)NC1=NC2=NC(c3ccc(OC)cc3)CC(c3ccccc3Cl)N2N1,CID5389714,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(C2CC(c3cccc(OC)c3)N=C3N=C(N)NN32)cc1,CID5308612,,,,,,,,,,,,,,,,0.0,
COc1ccc(C2CC(c3ccc(C)cc3)N=C3N=C(N)NN32)cc1,CID5389494,,,0.0,,,,,,,,,,,,,,
COc1ccc(C2CC(c3ccc(Cl)cc3)N3NC(N)=NC3=N2)cc1,CID5308371,,,,,,,,,,,,,,,,0.0,
COc1ccc(C2CC(c3cccc(Cl)c3)N3NC(N)=NC3=N2)cc1,CID5307506,,,,,,,,,,,,,,,,0.0,
COc1ccc(C2CC(c3ccc(F)cc3)N=C3N=C(N)NN32)cc1,CID5307592,,,,,,,,,,,,,,,,0.0,
CCOc1ccccc1C1CC(c2ccc(Br)cc2)N=C2N=C(N)NN21,CID5309372,0.0,,,,,,,,,,,,,,,0.0,
COCC(=O)NC1=NC2=NC(c3ccc(OC)cc3)CC(c3ccc(OC)cc3)N2N1,CID5389706,,,,,,,,,,,,,,,,0.0,0.0
COc1cccc(C2CC(c3ccc(F)cc3)N=C3N=C(N)NN32)c1,CID5308406,,,0.0,,,,,,,,,,,,,0.0,
Cc1cccc(C2CC(c3ccc(Br)cc3)N=C3N=C(N)NN32)c1,CID5309378,,,,,,,,,,,,,,,,0.0,
CCc1ccc(C2CC(c3ccc(C)cc3)N=C3N=C(N)NN32)cc1,CID5308027,,,,,,,,,0.0,,,,,0.0,,0.0,
CCc1ccc(C2CC(c3ccccc3Cl)N=C3N=C(N)NN32)cc1,CID5307828,,,,,,,,,,,,,,,,0.0,
COc1cccc(C2CC(c3cccc(C)c3)N3NC=NC3=N2)c1,CID5309861,,,,0.0,,,,,,,,,,0.0,,,
COc1ccc(C2CC(c3ccccc3C)N3NC(N)=NC3=N2)cc1,CID5308189,,,,,,,,,,,,,,,0.0,0.0,
CCOc1ccc(C2CC(c3ccc(CC)cc3)N3NC(N)=NC3=N2)cc1,CID5308228,,,,,,,,,,,,,,,,0.0,
Clc1ccccc1C1CC(c2ccccc2)N=C2N=CNN21,CID5307957,0.0,,,,,,,,,,,,,,0.0,0.0,
CCOc1ccc(C2CC(c3cccc(OC)c3)N=C3N=CNN32)cc1,CID5307959,,,0.0,,,,,,,,,,,,,0.0,
Cc1ccc(C2CC(c3ccccc3)N3NC=NC3=N2)cc1,CID5307173,,,,,,,,,,,,,,,,0.0,0.0
Cc1ccc(C2CC(c3cccc(Br)c3)N3NC(N)=NC3=N2)cc1,CID5307615,0.0,,,,,,,,,,,,,,,,
COc1cccc(C2CC(c3c(F)cccc3Cl)N3NC(N)=NC3=N2)c1,CID5309396,,,,,,,,,,,,,,,,0.0,
NC1=NC2=NC(c3ccccc3)CC(c3cccc(Br)c3)N2N1,CID5307244,0.0,,,,,,,,,,,,,,,,
COc1cccc(C2CC(c3ccccc3Cl)N=C3N=C(N)NN32)c1,CID5308798,,,,,,,,,,,,,,0.0,,0.0,
CCc1ccc(C2CC(c3ccccc3)N3NC=NC3=N2)cc1,CID5307741,,,,,,,,,,,,,,,,0.0,
COc1ccc(C2CC(c3ccc(C)cc3)N=C3N=CNN32)cc1,CID5307748,,,,,,,,,,,,,,,,0.0,
COc1cccc(C2CC(c3ccc(Cl)cc3Cl)N=C3N=C(N)NN32)c1,CID5738789,,,,,,,,,,,,,,,,0.0,
CCOc1ccc(C2CC(c3ccc(OC)c(OC)c3)N3NC(N)=NC3=N2)cc1,CID5309924,,,,,,,,,,,,,,,,,0.0
Fc1ccc(C2CC(c3ccccc3)N3NC=NC3=N2)cc1,CID5738747,,,,,,,0.0,,,0.0,,,0.0,,,,
COCC(=O)NC1=NC2=NC(c3ccc(OC)cc3)CC(c3ccc(Cl)cc3)N2N1,CID5389894,,,,,,,0.0,,,,,,,,,,
NC1=NC2=NC(c3ccc(F)cc3)CC(c3ccccc3)N2N1,CID5309508,,,,,,,,,,,,0.0,,,,,
COc1cccc(C2CC(c3ccccc3OC)N3NC(N)=NC3=N2)c1,CID5307235,,,,,,,,,,,,0.0,,,,0.0,
CCOc1ccc(C2CC(c3ccccc3C)N3NC=NC3=N2)cc1,CID5309151,,,,0.0,,,,,,,,,,0.0,,0.0,
CCc1ccc(C2CC(c3ccc(Cl)cc3)N3NC(N)=NC3=N2)cc1,CID5308730,,,,,,,,,,,,,,,,0.0,
Cc1cccc(C2CC(c3ccc(F)cc3)N=C3N=C(N)NN32)c1,CID5309054,0.0,,,,,,,,,,,,,,,,
COc1ccc(C2CC(c3ccccc3Cl)N=C3N=CNN32)cc1OC,CID5769168,,,,,,,,,,,,,,,,0.0,
COc1cccc(C2CC(c3ccccc3C)N3NC(N)=NC3=N2)c1,CID5308196,,,,,,,0.0,,,,,,,,,0.0,
COc1ccccc1C1CC(c2ccc(C)cc2)N=C2N=CNN21,CID5389622,,,,,,,,0.0,,,,,,,0.0,,
Fc1ccc(C2CC(c3ccccc3)N=C3N=CNN32)cc1,CID5308356,,0.0,,,,,,,,0.0,,,,,,,
CCc1ccc(C2CC(c3ccccc3C)N3NC(N)=NC3=N2)cc1,CID5308383,,,,,,,,,,,0.0,,,,,0.0,
CCOc1ccc(C2CC(c3ccc(OC)cc3)N3NC=NC3=N2)cc1,CID5307206,0.0,,,0.0,,,,,,,,,,,,0.0,
COc1ccc(C2CC(c3ccc(Cl)c(Cl)c3)N=C3N=C(N)NN32)cc1,CID5308179,,,,,,,,,,,,,,,,0.0,
CCOc1ccc(C2CC(c3ccc(CC)cc3)N=C3N=C(N)NN32)cc1,CID5308812,,,,,,,,,,,0.0,,,,,0.0,
COc1cccc(C2CC(c3cccc(Br)c3)N3NC(N)=NC3=N2)c1,CID5307627,0.0,,,,,,,,,,,,,,,,
COc1cccc(C2CC(c3ccc(C)cc3)N=C3N=C(N)NN32)c1,CID5308995,,,,,,,,,,,,,,,,0.0,0.0
COc1ccc(C2CC(c3ccc(Cl)cc3Cl)N=C3N=C(N)NN32)cc1OC,CID5309737,,,,,,,0.0,,,,,,,,,,
COc1ccc(C2CC(c3ccc(OC)cc3)N3NC(N)=NC3=N2)cc1,CID5307775,,,0.0,,,,,,,,,,,,,0.0,
NC1=NC2=NC(c3ccc(F)cc3)CC(c3cccc(Cl)c3)N2N1,CID5309882,,,,,,,,,,,,0.0,,,,,
COc1cccc(C2CC(c3c(Cl)cccc3Cl)N3NC(N)=NC3=N2)c1,CID5307331,,,,,,,,,,,,,,,,0.0,
COc1ccc(C2CC(c3cccc(OC)c3)N3NC(N)=NC3=N2)cc1,CID5309357,,,0.0,,,,,,,,,,,,,0.0,0.0
COc1ccc(C2CC(c3c(Cl)cccc3Cl)N3NC(N)=NC3=N2)cc1,CID5307492,,,,,,,,,,,,,,,,0.0,
CCOc1ccc(C2CC(c3ccccc3C)N3NC(N)=NC3=N2)cc1,CID5308708,,,,,,,,,,,,,,,,0.0,
CCOc1ccccc1C1CC(c2ccc(F)cc2)N=C2N=C(N)NN21,CID5309023,,,,,,,,,,,,,,,,0.0,
COc1ccccc1C1CC(c2ccc(Cl)cc2Cl)N=C2N=C(N)NN21,CID5307418,,,,,,,,,,,,,,,,0.0,
CCOc1ccc(C2CC(c3ccc(F)cc3)N=C3N=C(N)NN32)cc1,CID5308435,,,,,,,,,,,,,,,,0.0,
COc1cccc(C2CC(c3ccccc3)N3NC=NC3=N2)c1,CID5307581,,,,,,,,,,,,,,,,0.0,
CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)N(CC)CC)cc2)cc1,CID1099239,,,,,,,,,,,0.0,,,,,,
COC(=O)c1cc(Oc2ccc(C(=O)OC)cc2N)cc(C(=O)OC)c1,CID653314,,,0.0,,0.0,,,0.0,,,,,0.0,,,0.0,
O=C(CCl)Nc1cccc(Oc2ccccc2)c1,CID2396533,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1Oc1cccc(C(=O)/C(C#N)=C/N(C)C)c1,CID5924545,,,,,,,,,,0.0,,,,,,,
CNC(=O)c1ccc(Oc2ccc(C(=O)NC)cc2)cc1,CID3241238,0.0,,,,,,,,0.0,0.0,,0.0,0.0,,,,0.0
CNC(=O)COC(=O)c1ccccc1Oc1ccccc1,CID2441216,,,,,,,,,0.0,0.0,,,,,0.0,,
CC(=O)CCS(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)CCC(C)=O)cc2)cc1,CID1121839,,,,,,,,,,,,,,,0.0,,
COC(=O)c1ccc(Oc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1,CID1487555,,,,,,,,,,,,,,,0.0,,
NC(=O)Nc1ccc(Oc2c(F)c(F)c(F)c(F)c2F)cc1,CID664654,,,,,,,,,0.0,,,,,,,,0.0
N#Cc1ccc(Oc2cccc(C(=O)O)c2)cc1C#N,CID882352,,,0.0,,,0.0,,,,,,,0.0,0.0,,0.0,
COCCNC(=O)C(C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O,CID2928258,,,,,,,,,0.0,0.0,,,0.0,,,,
O=C(O)CS(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)CC(=O)O)cc2)cc1,CID656313,,,,,0.0,,,,,,,,,,,,
CNS(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)NC)cc2)cc1,CID1076679,,,0.0,,0.0,,,,,,,,,0.0,,,
COCCNC(=O)COc1ccc(Oc2ccccc2)cc1,CID2323541,,,,,,0.0,,,0.0,,,,,,0.0,,
CC(C)NC(=O)NC(=O)COC(=O)c1ccccc1Oc1ccccc1,CID2497261,,,,,,,,,,,,0.0,,,,,
Cc1ccccc1Oc1ccc(S(=O)(=O)NCCC(=O)O)cc1,CID698012,,,,,,,,,0.0,,,,,,,0.0,
CCCCNc1cc(C(=O)O)cc(S(N)(=O)=O)c1Oc1ccccc1,CID2471,,,,,,,,0.0,,,,,,,,,0.0
CCCN(CCO)Cc1cccc(Oc2ccccc2)c1,CID783739,,,,,,,0.0,,,0.0,0.0,,,,,,0.0
O=C(O)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1,CID767919,,,,,,,,,,,,,,,0.0,,
C=CCC(=O)OCC(=O)Nc1ccc(Oc2ccccc2)cc1,CID2997954,,,,,,,,,,,0.0,,0.0,,,,0.0
O=C(O)CCNS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1,CID1582789,,,,,,,,,,,,,,0.0,,,
CCCC(=O)Nc1ccc(Oc2ccc(NC(=O)CCC)cc2)cc1,CID730651,,,,,,,,,,,0.0,0.0,,,,,
O=C(CCC(=O)Nc1ccc(Oc2ccccc2)cc1)NCCO,CID657700,0.0,,,0.0,0.0,,,,,,,,,,,,
CC(NC(=O)COc1ccc(Oc2ccccc2)cc1)C(=O)O,CID4625483,,,,,,,,,,,,,,0.0,,,
CCC(CC)NC(=O)c1ccccc1Oc1ccccc1,CID884731,,,,,,,,,,,0.0,,,,,,
O=C(O)c1cccc(Oc2ccccc2[N+](=O)[O-])c1,CID691554,,,,,,,,,,,,,,,0.0,,
N#CCC(=O)N/N=C/c1cccc(Oc2ccccc2)c1,CID3644532,,,,,,,,,,,,,,,0.0,,
N#Cc1ccc(Oc2ccc(C(N)=O)cc2)cc1C#N,CID645089,,0.0,0.0,,,,,,,,,,0.0,0.0,0.0,0.0,
COC(=O)Nc1ccc(Oc2ccccc2)cc1,CID898477,,,,,,,0.0,,0.0,0.0,0.0,,,,,0.0,
CC(C)CC(=O)Nc1ccc(Oc2ccc(NC(=O)CC(C)C)cc2)cc1,CID1240168,,,,,,,,,0.0,,,0.0,,,,,
O=[N+]([O-])c1ccccc1Oc1ccccc1Cl,CID3432930,,,,,,,,,,,,,,,0.0,,
COC(=O)c1c(O)ccc(Oc2ccccc2)c1C(=O)OC,CID878340,,,,,0.0,,,,0.0,,,,,0.0,,0.0,
CS(=O)(=O)N(CC(=O)O)c1ccc(Oc2ccccc2)cc1,CID872546,,,,,,,,0.0,0.0,,,,,,,0.0,
COc1ccc(Oc2ccccc2C=O)cc1,CID2767673,,,,,,,,,,,,0.0,,0.0,,,
CCN(CC)S(=O)(=O)c1ccc(Oc2ccccc2)cc1,CID802736,,,,,,,,,0.0,0.0,,,,,,,
Nc1cc(Cl)ccc1Oc1ccccc1,CID66738,0.0,,0.0,,,,0.0,,,,,,,,,,
CS(=O)(=O)Nc1ccccc1Oc1ccccc1,CID103958,,,0.0,0.0,0.0,,0.0,,,,,,,0.0,,,
CCC(C)C(NC(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)O,CID9551794,,,,,,0.0,,,,,,,,,,,
Cc1ccc(Oc2ccccc2)c(NC=O)c1,CID2336214,,,,,,,,,,0.0,,,,,,,
Cc1ccc(Oc2ccc(/C(N)=N/O)cc2)cc1C,CID9587071,,,,,,,,,,,,,,0.0,,,
CC(C)CC(NC(N)=O)C(=O)Nc1ccc(Oc2ccccc2)cc1,CID4000881,,,,,,,,,,,,,,,0.0,,
O=C(O)/C=C\C(=O)Nc1ccc(Oc2ccccc2)cc1,CID1622383,,,,,,,,,,,,,,,0.0,,
CN(C)/C=C(/C#N)C(=O)c1cccc(Oc2ccc(C(C)(C)C)cc2)c1,CID9550367,,,,,,,,,,,0.0,,,,,,
CN(C)C(=O)c1ccc(Oc2ccc(C(=O)N(C)C)cc2)cc1,CID3239299,0.0,0.0,,,0.0,0.0,0.0,,,,,,,,,,
O/N=C/c1ccccc1Oc1ccc(Cl)cc1,CID737482,,,,,,,,,,,,,,0.0,,,
CN(C)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1,CID31898,,,,0.0,0.0,,,,,,,,0.0,,,,0.0
CC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1ccc(Oc2ccccc2)cc1,CID4141385,,,,0.0,,,0.0,0.0,,,,,,,,0.0,
COc1ccccc1Oc1ccccc1C(=O)O,CID578689,,,,,,0.0,,,,,,,,,,,
O/N=C/c1ccccc1Oc1ccccc1,CID737479,,,,,,,,,,,,0.0,,,,,
NC(Cc1ccc(Oc2ccc(O)cc2)cc1)C(=O)O,CID102544,,,,,0.0,,,,,,,,,,,,
C=CS(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)C=C)cc2)cc1,CID647878,,,,,0.0,,,,,,,,,,,,
Cc1cccc(Oc2ccc(N)cc2)c1,CID151352,,,,,,,,,,,0.0,0.0,,,,,
NC(=O)COC(=O)c1ccc(Oc2ccccc2)cc1,CID2098554,0.0,,0.0,0.0,0.0,,0.0,,,0.0,,,,,,0.0,0.0
CN(C)S(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)N(C)C)cc2)cc1,CID1480932,,,,,0.0,,0.0,0.0,0.0,0.0,,,,,,,
CC(C)OC(=O)Nc1ccc(Oc2c(F)c(F)c(F)c(F)c2F)cc1,CID664769,,,,,,,,,0.0,,,,,,,,0.0
COc1cccc(Oc2ccc(N)cc2)c1,CID807086,,,,0.0,,,,,,0.0,,,,,,,
CC(C)NC(=S)Nc1ccc(Oc2ccccc2)cc1,CID969933,,,,,,,,,,,,,,,0.0,,
O=C(O)CCC(=O)Nc1ccccc1Oc1ccccc1,CID735788,,,,,,,,,,,,,,,0.0,,
CC(=O)c1ccc(Oc2ccc(C(C)=O)cc2)cc1,CID17471,,,,,,0.0,,,,,,,,,0.0,,
O=C(O)CCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1,CID667737,,,,,,,0.0,,0.0,,,,,,,,
CN(C)C(=O)COc1ccc(Oc2ccccc2)cc1,CID2308064,,,,,,,,,,,,,,,0.0,,
Cc1ccc(Oc2ccccc2/C=C/C(=O)O)cc1,CID5399133,,,,,,,,,,,,,,,0.0,,
COCCCNC(=O)c1ccccc1Oc1ccccc1,CID2188154,,,,,0.0,0.0,0.0,0.0,0.0,,0.0,,,,,0.0,
Cc1cc(Cl)ccc1Oc1ccccc1C(=O)CC#N,CID3817492,,,,,,,,,,,,,,0.0,,,
CCOC(=O)Nc1ccc(Oc2ccccc2)cc1,CID898756,,,,,,,,,0.0,0.0,0.0,,,,,0.0,
CCN(CC)C(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1,CID2232939,,,,,,,,,,,,,,,0.0,,
COC(=O)C(C)NC(=O)Nc1ccc(Oc2ccccc2)cc1,CID5389782,,,,,,0.0,,,,0.0,,,,,,,
CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1,CID4495,,,0.0,0.0,,,,,0.0,,,,0.0,0.0,,0.0,
CC(C)OCCCNC(=O)c1ccccc1Oc1ccccc1,CID2229193,,,,,,0.0,,,,0.0,,,,,,,
O=C(O)COc1ccc(Oc2ccccc2)cc1,CID2369459,,,,,,,,0.0,0.0,,0.0,,,,,,
CCC(=O)Nc1ccccc1Oc1ccccc1,CID897217,,0.0,0.0,,,,,0.0,0.0,,0.0,,,,,,
Cc1ccc(Oc2ccc(OCC(=O)NC(C)C(=O)O)cc2)cc1,CID2999325,,,0.0,,,,0.0,,,,,0.0,,,,0.0,
COCCNC(=O)COc1cccc(Oc2ccccc2)c1,CID2307600,,,,,,0.0,,,0.0,0.0,,,,,0.0,,
Cc1cccc(Oc2cc(N)cc([N+](=O)[O-])c2)c1,CID867747,,,,,,0.0,,,,,,,,,,,
O=CNc1ccccc1Oc1ccccc1,CID17709,,,,0.0,,,0.0,0.0,0.0,,,,,,,0.0,0.0
N#Cc1ccccc1Oc1ccccc1C=O,CID2763947,,,,,,,,,,,,,,0.0,,,
Nc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1,CID3965305,,,,,,,,,,,,,,,0.0,,
CN(C)S(=O)(=O)c1ccc(Oc2ccccc2)cc1,CID802085,,,,0.0,,,0.0,,0.0,0.0,,,0.0,0.0,,,0.0
NC(=O)NC(=O)COC(=O)c1ccccc1Oc1ccccc1,CID2116753,,,0.0,,0.0,,,,,,,,,,,,
CCN(CC)CC(=O)Nc1ccc(Oc2ccc(NC(=O)CN(CC)CC)cc2)cc1,CID2945189,,,,,,,,,,,,,,0.0,,,
CC(C)CNC(=O)c1ccccc1Oc1ccccc1,CID876717,,,,,,0.0,,,,0.0,0.0,,,,,,
Cc1cc(C)cc(Oc2ccc(N)cc2)c1,CID174572,,,,0.0,,,0.0,,,,,0.0,,0.0,,0.0,
CC(C)c1ccc(Oc2cccc(C(=O)/C(C#N)=C/N(C)C)c2)cc1,CID5807442,,,,,,,,,,,,0.0,,,,,
CC(C)C(NC(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)O,CID664391,,,,,,,,,0.0,,0.0,0.0,,,,,0.0
O=C(O)CSc1ccc(Oc2ccc(SCC(=O)O)cc2)cc1,CID55683,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccccc1)Nc1cccc(Cl)c1,CID295366,,,,,,,,,,0.0,,,,,,,
COc1ccc(NC(=O)Nc2ccc(C)cc2OC(F)F)cc1OC,CID2206977,,,,,,,,,,,,,,,,,0.0
COc1ccc(NC(=O)Nc2ccc(OC)c(OC)c2)c([N+](=O)[O-])c1,CID2955811,,,,,,,,,,,,,,,0.0,,
CCN(CC)c1ccc(NC(=O)Nc2ccc(C(C)=O)cc2)cc1,CID978144,,,,,,,,,,,,0.0,,,,,
COc1cc(NC(=O)Nc2cccc(C(C)=O)c2)cc(OC)c1OC,CID970456,0.0,,,0.0,,,0.0,0.0,0.0,,0.0,,0.0,,,,
CC(=O)N(C)c1ccc(NC(=O)Nc2ccc(C)cc2)cc1,CID6464810,,,,,,,,,,,,,,0.0,0.0,,
CCN(CC)c1ccc(NC(=O)Nc2cccc(C(C)=O)c2)cc1,CID970640,,,0.0,,,,0.0,,,,,0.0,,,,,
COC(=O)c1cc(OC)c(OC)cc1NC(=O)Nc1ccccc1OC,CID2121660,0.0,,,,0.0,0.0,,0.0,,,,0.0,,0.0,,,
C=CCNC(=O)c1ccccc1NC(=O)Nc1ccccc1,CID2194225,0.0,,,,,,,,,,,,0.0,,,0.0,
CCOC(=O)c1ccc(NC(=O)Nc2ccc(OC)c(OC)c2)cc1,CID970263,,,,0.0,,,0.0,,0.0,,0.0,0.0,0.0,,,0.0,
CCOC(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1,CID306328,,,,,,,,,,0.0,,,,,,,
CC(C)CNC(=O)c1ccccc1NC(=O)Nc1ccccc1,CID894269,,,,,,,,,,,0.0,,,,,,
COc1ccc(NC(=O)Nc2cc(C)ccc2OC(F)F)c(OC)c1,CID2208379,,,,,,,,,,,0.0,,,0.0,,,
CCOc1ccc(NC(=O)Nc2cc(C)ccc2OC)cc1,CID969966,0.0,,,0.0,,,,,,,0.0,0.0,,,,,0.0
N#Cc1ccccc1NC(=O)Nc1cccc(Cl)c1,CID744291,,,,,,,,,,,,,,,,0.0,0.0
CCOc1ccc(NC(=O)Nc2ccccc2SC)cc1,CID972027,,,,,,,,,,,,,,,0.0,,
COc1ccc(NC(=O)Nc2cc(C)ccc2F)cc1,CID872829,,,,,,0.0,,,,,,,,,,,
CCNS(=O)(=O)c1ccc(NC(=O)Nc2cccc(OC)c2)cc1,CID1295659,,,,0.0,0.0,,0.0,,0.0,,,,,0.0,,,0.0
COC(=O)c1cc(OC)c(OC)cc1NC(=O)Nc1ccc(OC)cc1,CID1346808,,,,,,,,,,0.0,,,,,,,
N#CCCN(C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1,CID1930210,,,,,,,,,,,,,,,0.0,,
Cc1ccc(NC(=O)Nc2ccccc2C#N)c(Cl)c1,CID4057772,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC(=O)Nc2ccc(CC(=O)O)cc2)cc1,CID6465663,,,,,,,,,,,,,,,0.0,,
CC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1,CID682184,,,,,,,,,,0.0,,,,,,,
COc1ccc(NC(=O)Nc2ccccc2SC)c(OC)c1,CID971009,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(NC(=O)Nc2ccc(N(C)C(C)=O)cc2)cc1,CID970292,,0.0,0.0,0.0,,,0.0,0.0,0.0,,,0.0,,,,,
CSc1cccc(NC(=O)Nc2ccccc2)c1,CID892929,,,,,0.0,,,0.0,,,,0.0,,,,,0.0
COc1ccc(NC(=O)Nc2ccc(N(C)C)cc2)cc1,CID970687,,,,0.0,,,,,,,,,,,,0.0,
CC(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1,CID734393,,,,,,,,,,0.0,,,,,,,
Cc1cc(C)c(NC(=O)Nc2ccccc2C)c(Cl)c1,CID1256627,,,,,,,,,,,,,,,0.0,,
CSc1ccccc1NC(=O)Nc1ccc(Cl)cc1,CID2243648,,,,,,,,,,0.0,,,,,0.0,,
Cc1ccccc1NC(=O)Nc1ccccc1Br,CID2238254,,,,,,,,,,,,0.0,,,0.0,,
CCOC(=O)c1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CID2211467,,,,,,,,,,,0.0,,,,,,
COc1cc(OC)c(NC(=O)Nc2ccc(OC)c(OC)c2)cc1Cl,CID2206824,0.0,0.0,,,,,0.0,,,,,,0.0,,,,0.0
COC(=O)c1cc(NC(=O)Nc2cccc(Cl)c2)ccc1Cl,CID1249532,,,,,,,,,,,,,,,0.0,,
CCOc1ccccc1NC(=O)Nc1cccc(C(C)=O)c1,CID971026,,,,,,,,,0.0,,,0.0,,,,,
COc1ccc(Cl)cc1NC(=O)Nc1cccc([N+](=O)[O-])c1C,CID969975,,,,,,0.0,,,,,,,,,,,
CN(C)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1,CID295346,0.0,,0.0,,,,,,,,,0.0,,,,,
N#CCc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1,CID1255527,0.0,0.0,,0.0,,,1.0,,,0.0,,,,,,,
CSc1ccccc1NC(=O)Nc1ccccc1,CID966909,,,,0.0,0.0,,0.0,0.0,,,,,0.0,,,,
COC(=O)c1cc(OC)c(OC)cc1NC(=O)Nc1ccc(OC)cc1OC,CID1298184,,,0.0,,0.0,,,,,,,,0.0,,,,
CCNS(=O)(=O)c1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1,CID2211952,,,,,0.0,,0.0,,,,,0.0,,,,,
COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cccc(Cl)c1,CID303233,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccc(Cl)cc1)Nc1ccccc1CC[N+](=O)[O-],CID1474112,,,,,,,,,,,,,,0.0,0.0,,
CSc1ccccc1NC(=O)Nc1cccc(Cl)c1,CID2226935,,,,,,,,,,0.0,,,,,,,
Cc1ccc(OC(F)F)c(NC(=O)Nc2cccc(C(F)(F)F)c2)c1,CID1296926,,,,,,,,,0.0,,,,,,,,
N#CCCN(C(=O)Nc1ccc(Cl)cc1)c1ccccc1,CID2224347,0.0,0.0,,,,,0.0,,,0.0,,,,,,0.0,0.0
CCS(=O)(=O)c1ccc(O)c(NC(=O)Nc2ccccc2)c1,CID733062,,,0.0,0.0,,,,,0.0,,0.0,,,,0.0,,
O=C(Nc1ccc(Br)cc1)Nc1ccccc1F,CID310494,,,,,,,,,,,,,,,0.0,,
N#Cc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1,CID721948,,,,0.0,,,,,,,0.0,,0.0,,,0.0,
COCCN(C(=O)Nc1ccccc1)c1ccccc1,CID1910961,,,,,,,,,,0.0,0.0,0.0,,,,,
O=C(Nc1ccccc1F)Nc1ccccc1Br,CID6465428,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1cccc(NC(=O)Nc2cc(OC)ccc2OC)c1,CID2206385,0.0,,,,,,0.0,,0.0,,0.0,,,,,0.0,
CC(C)(C)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1,CID727815,,,,,,,,,,,,,,0.0,,,
COc1ccc(NC(=O)Nc2ccccc2C(N)=O)cc1OC,CID971606,0.0,0.0,,0.0,0.0,,,,,,,,,,,0.0,
COC(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1,CID2402760,,0.0,0.0,0.0,,0.0,,0.0,,,,,0.0,,,,
CN(c1cccc(NC(=O)Nc2cccc(Cl)c2)c1)S(C)(=O)=O,CID2224615,0.0,,,,0.0,,,,,,,,,,,,0.0
COc1cc(NC(=O)Nc2ccccc2)c(C(=O)O)cc1OC,CID873555,0.0,,,,,0.0,,0.0,,,0.0,,,,,,
CCOc1ccccc1NC(=O)Nc1cc(OC)ccc1OC,CID2211603,,,,0.0,,,0.0,0.0,,,,0.0,,,,,
COc1ccc(NC(=O)Nc2ccccc2C)c(OC)c1,CID303223,0.0,,0.0,0.0,,,,0.0,,,0.0,,,,0.0,,0.0
COc1ccc(NC(=O)Nc2ccccc2OC)cc1,CID295260,,,,,,,,,,0.0,,,,,,,
COc1ccc(NC(=O)Nc2cccc(OC)c2)cc1,CID872322,0.0,,,,,,,0.0,,,,0.0,,,,,0.0
COc1ccc(NC(=O)Nc2cc(C)ccc2OC)cc1,CID805041,,,,,,,0.0,,,,,,,,,,0.0
COc1ccc(NC(=O)Nc2ccc(OC)cc2)cc1,CID136951,,,,,,,,,,,,0.0,,,,,
CCCCOC(=O)c1ccc(NC(=O)Nc2ccc(OC)c(OC)c2)cc1,CID1934597,,,,,,,,,0.0,,,0.0,,,,,
CC(=O)c1ccc(NC(=O)Nc2ccc(Br)cc2C)cc1,CID971373,,,,,,,,,,,,,,,0.0,,
COc1ccc(OC)c(NC(=O)Nc2ccccc2C)c1,CID2787276,,,0.0,,,,0.0,,,0.0,,0.0,0.0,,,,0.0
CC(=O)Nc1cccc(NC(=O)Nc2ccc(C(C)=O)cc2)c1,CID2206404,,,,,,,,,,,,,0.0,,,0.0,
CCCNC(=O)c1ccccc1NC(=O)Nc1ccccc1C,CID2901556,,,,,,,,,0.0,,0.0,,,,,,
CSc1cccc(NC(=O)Nc2ccc(Cl)cc2)c1,CID303365,,,,,,,,,,0.0,,0.0,,,,,
COC(=O)c1ccc(NC(=O)Nc2ccc(OC)c(OC)c2)cc1,CID6469886,,,,,,,,,,,,,,0.0,,,
COc1ccc(C)cc1NC(=O)Nc1ccccc1,CID873654,,,,,,0.0,,,,0.0,,,,,,,
CCOC(=O)c1ccccc1NC(=O)Nc1ccc(OC)c(OC)c1,CID971559,0.0,,,,,,0.0,,0.0,,0.0,0.0,,,,,
Cc1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CID2238788,,,,,,,,,,,,,,0.0,0.0,,
N#Cc1ccccc1NC(=O)Nc1ccc(Cl)cc1,CID728322,,,,,,,,,,0.0,,,,,,,
O=C(Nc1ccccc1)N(O)c1ccc(Cl)cc1,CID3245827,0.0,,,,,,,,,,,,,,,,
COc1cccc(NC(=O)Nc2cc(C)ccc2F)c1,CID2209390,,0.0,,,,,0.0,,,,,,,,,,
NC(=O)c1ccccc1NC(=O)Nc1ccccc1Cl,CID6468051,,,,,,,,,,,,,,,0.0,,
COc1ccc(OC)c(NC(=O)Nc2ccc(Cl)cc2)c1,CID730467,,,,,,0.0,,,,,,,,,,,
COCCN(C(=O)Nc1ccccc1)c1ccccc1C,CID658696,0.0,,,,0.0,,0.0,,,0.0,,,,0.0,,,0.0
N#CCCN(C(=O)Nc1ccccc1)c1ccccc1,CID328988,0.0,,,,,,,,,,,0.0,,,,0.0,
O=C(Nc1ccc(OC(F)F)cc1)Nc1cccc(C(F)(F)F)c1,CID971803,,,,,,,,,0.0,,,,,,,,
COC(=O)c1ccc(NC(=O)Nc2ccc(C)cc2)cc1,CID2222788,,,,,,,,,0.0,,,0.0,,,,,
CCC(C)NC(=O)c1ccccc1NC(=O)Nc1ccccc1,CID2942846,,,,,,,,,0.0,,0.0,,,,,,
CC(=O)Nc1ccc(NC(=O)Nc2ccc(C)cc2C)cc1,CID6469944,,,,,,,,,,,,,,0.0,,,
CC(=O)c1cccc(NC(=O)Nc2ccc(C)cc2)c1,CID2787268,,,,,,,,,,0.0,,,,0.0,,,
COC(=O)c1cc(OC)c(OC)cc1NC(=O)Cc1ccccc1[N+](=O)[O-],CID1297890,,,,,,,,,,,,,,,0.0,,
COc1cccc(NC(=O)Cc2ccccc2)c1,CID795356,,0.0,,,,,0.0,0.0,0.0,0.0,0.0,,0.0,,,0.0,
COc1ccc(NC(=O)C(c2ccc(C)cc2)N(C)C(=O)CNC(C)=O)cc1,CID5179477,,,,,,,,,,,,,,0.0,,,
COc1cc(Cl)c(C)cc1NC(=O)Cc1ccc(OC)c(OC)c1,CID975319,,,,,,,,,,,,,,0.0,,,
COc1ccccc1CC(=O)Nc1ccc(OC)c(OC)c1,CID803853,,0.0,,0.0,,,0.0,0.0,,0.0,0.0,,,,,0.0,
CC(=O)NCC(=O)N(C)C(C(=O)Nc1ccc(C(C)C)cc1)c1ccccc1,CID4213316,,,,,,,,,,,,,,0.0,,,
CCC(C(=O)Nc1cc(Cl)c(OC)cc1OC)c1ccccc1,CID2922753,,,,,,,,,,,,,,0.0,,,
CC(C)CNC(=O)c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1,CID879496,,,,,,0.0,,,,,,,,,,,
COCC(C)NC(C(=O)Nc1ccc(C)c(Cl)c1)c1ccccc1,CID4883535,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(NC(=O)CNC(C)=O)C(=O)Nc2ccc(C(C)C)cc2)cc1,CID4695396,,,,,,,,,,,,,,,0.0,,
CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(OC)c2ccccc2)cc1,CID2955774,,,,0.0,,,,,0.0,,0.0,,,,,,
CCC(C(=O)Nc1cccc(C)c1)c1ccccc1,CID2890884,,,,,,0.0,,,,,,,,,,,
O=C(Cc1ccc(Br)cc1)Nc1cccc(Cl)c1,CID884154,,,,,,,,,,,,,,0.0,,,
COC(=O)c1cc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc(C(=O)OC)c1,CID1350575,,,,,,,,,,,,,,,0.0,,
COc1cc(NC(=O)Cc2ccccc2)cc(OC)c1,CID881112,,,,,,0.0,0.0,,0.0,0.0,0.0,,0.0,,,,0.0
COc1ccc(CC(=O)Nc2ccc(C(=O)NCC(C)C)cc2)cc1,CID1230985,,,,,,,,,,,,0.0,,,,,
CCC(C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1,CID2922609,,,,,,,,,,,,,,0.0,,,
CCCN(CCC)C(C(=O)Nc1cccc(OC)c1)c1ccccc1,CID2999909,,,,,,,0.0,,,,,,,,,,
CCC(C(=O)Nc1ccc(C(C)C)cc1)c1ccccc1,CID3145065,,,,,,,,,,,,,,,0.0,,
COc1cc(NC(=O)Cc2ccccc2OC)cc(OC)c1,CID803154,,,0.0,,,,0.0,,,,0.0,0.0,,,,0.0,0.0
COc1ccccc1CC(=O)Nc1ccc(O)cc1C(=O)O,CID883572,,,,0.0,0.0,,,0.0,,,,,,,,0.0,
O=C(Cc1ccccc1)Nc1ccc(C(=O)O)cc1,CID785682,,,0.0,0.0,,,,0.0,0.0,0.0,,,0.0,,,,
COc1cc(CC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc(OC)c1OC,CID2672892,,,,,,,,,,,,,,,,0.0,
CC(C)NC(=O)c1ccccc1NC(=O)Cc1ccc(Cl)cc1,CID1250718,,,,,,0.0,,,,,,,,,,,
COc1ccccc1CC(=O)Nc1cc(Cl)ccc1O,CID1255740,,,,,,,,,,0.0,,0.0,,,,,
CN(c1cccc(NC(=O)Cc2ccccc2)c1)S(C)(=O)=O,CID893319,,,,0.0,,,0.0,0.0,0.0,,,0.0,,,,,
O=C(O)CCNC(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1,CID3665769,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)c(NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)c1,CID743981,,,,,,0.0,,,,,,,,,,,
COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccccc1Cl,CID2550282,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccccc1NC(=O)Cc1ccccc1OC,CID717617,,,,,,,,,0.0,0.0,0.0,,,0.0,0.0,,
COC(C(=O)Nc1ccccc1F)c1ccccc1,CID2897236,,,,,,0.0,,,,,,,,,,,
CC(C)NC(=O)c1ccccc1NC(=O)Cc1ccc(Br)cc1,CID1250995,,,,,,,,,,,,,,,0.0,,
NS(=O)(=O)c1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1,CID1241682,,,,,,,,,,,,,,0.0,,,
COc1ccc(NC(=O)C(OC)c2ccccc2)cc1Cl,CID2898567,,,,,,,,,,,,,,0.0,,,
COc1ccc(NC(=O)C(C)c2ccc(CC(C)C)cc2)cc1,CID2741375,,,,,,0.0,,,,,,,,,,,
Cc1cccc(C)c1NC(=O)C(NC=O)c1ccccc1Cl,CID3089939,,,,,,0.0,,,,,,,,,,,
O=C(Cc1ccc(Cl)cc1)Nc1ccccc1CO,CID873878,,,0.0,,,,0.0,,,0.0,,,0.0,,,0.0,
COC(=O)c1cc(Cl)c(NC(=O)Cc2ccccc2)cc1OC,CID718595,,,,,,,,,,,,,,0.0,,,
COc1ccc(CC(=O)Nc2cc(Cl)ccc2C(=O)O)cc1,CID839406,,,,,,,,,,,,,,0.0,,,
Cc1ccc(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1,CID2939030,,,,,,,,,,,,,,0.0,0.0,,
CC(C)Cc1ccc(C(C)C(=O)Nc2cccc(O)c2)cc1,CID3863983,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC(=O)C(c2ccccc2)N(C)C(=O)CNC(C)=O)cc1,CID5243451,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1,CID669121,,,,,,,,0.0,0.0,0.0,,,,0.0,,,0.0
COC(C(=O)Nc1ccc(Cl)cc1C)c1ccccc1,CID2899482,,,,,,,,,,,,,,0.0,,,
CCC(C(=O)Nc1cc(C(=O)O)ccc1C)c1ccccc1,CID2977556,,,,,,,,,,,,,,,0.0,,
COC(=O)c1cc(NC(=O)Cc2ccc(OC)cc2)cc(C(=O)OC)c1,CID3113371,,,,,,,,,,0.0,,,,,,,
O=C(Nc1ccc(Cl)cc1)C(c1ccccc1)N(CCO)CCO,CID646941,,0.0,,,,,,,,,,,0.0,,,,
COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccc(Cl)cc1,CID821112,,,,,,,,,,,,,,0.0,,,
COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)cc1,CID2222071,,,,,,,,,,0.0,,,,,,,
COc1ccc(CC(=O)Nc2cc(Cl)ccc2O)cc1,CID893789,0.0,0.0,,0.0,,,,,,,,,,,,0.0,0.0
COC(=O)c1cccc(NC(=O)Cc2ccc(OC)cc2)c1C,CID887345,,,,,,,,,,,0.0,,,,,,
COc1ccccc1CC(=O)Nc1ccccc1C(=O)O,CID759761,,,,,,,,,0.0,,0.0,,,,0.0,,
COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1,CID972310,,,,,,,,,,0.0,,,,,,,
COC(=O)c1ccc(NC(=O)Cc2ccc(C)cc2)cc1,CID890236,,,,,,,,,0.0,,0.0,,,,,,
O=C(Cc1ccccc1)Nc1ccccc1CO,CID881008,,,,0.0,,,,0.0,,0.0,,,,,,0.0,0.0
O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1,CID698255,,,,,,,,,,,,,,0.0,,,
COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccc(C)cc1,CID891067,,,,,,,,,,,,,,0.0,,,
Cc1cccc(C)c1NC(=O)C(NC=O)c1ccc(N(C)C)cc1,CID657498,,,,,0.0,0.0,,,,,,,,,,0.0,
CSc1ccccc1NC(=O)Cc1ccc(Br)cc1,CID898406,,,,,,,,,,,,,,0.0,,,
COc1cccc(NC(=O)Cc2ccc(C)cc2)c1,CID891048,,,,,,0.0,,,0.0,0.0,0.0,,,,,,
COc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c(C(=O)O)cc1OC,CID1296556,,,,,,,,,,,,,,,0.0,,
COC(=O)c1ccc(C(=O)OC)c(NC(=O)Cc2ccccc2[N+](=O)[O-])c1,CID1351302,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC(=O)Cc2ccc(C)c(C)c2)cc1Cl,CID2540077,,,,,,,,,,,,,,0.0,,,
COc1ccccc1CC(=O)Nc1ccc(Cl)cc1C(=O)O,CID2233630,,,,,,,,,,,,,,0.0,,,
COc1ccc(NC(=O)C(c2ccc(OC)cc2)N(C)C(=O)CNC(C)=O)cc1,CID3240130,,0.0,,0.0,,,,0.0,,,,,,,,,
Cc1cccc(NC(=O)Cc2ccc(F)cc2)c1,CID1122590,,,,,,0.0,,,,,,,,,0.0,,
CSc1cccc(NC(=O)Cc2ccccc2[N+](=O)[O-])c1,CID951610,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1ccccc1NC(=O)Cc1ccccc1OC,CID727428,,,,,,,,,,,0.0,,,,,,
Cc1ccccc1NC(=O)Cc1ccccc1,CID38661,,,,,,,,,0.0,0.0,,,,,0.0,,
CCOc1ccccc1NC(=O)Cc1ccccc1OC,CID869457,,,,,,,0.0,,,0.0,0.0,,,,,,0.0
COC(C(=O)Nc1cccc(F)c1)c1ccccc1,CID2928691,,,,,,0.0,,,,0.0,,,,,,,0.0
CC(C)NC(=O)c1ccccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1,CID1247827,,,,,,,,,,,,,,0.0,,,
O=C(Cc1ccccc1)Nc1ccccc1C(=O)O,CID766289,,,,,,,,,0.0,,,,,,,,
COc1ccc(NC(=O)Cc2ccccc2)cc1,CID531989,,,,,,,,,0.0,,0.0,,,,,,
CN(C)c1cccc(NC(=O)Cc2ccc(F)cc2)c1,CID686198,,,0.0,,,,,,,,0.0,,,,,,
Cc1cccc(NC(=O)Cc2ccccc2)c1C,CID307090,,,,,,0.0,,,,,,,,,,,
COc1ccc(CC(=O)Nc2cccc(C(=O)O)c2C)cc1,CID756070,,,,,,,,,,0.0,,,,,,0.0,0.0
COc1ccc(CC(=O)Nc2ccc(OC(C)=O)cc2C(=O)O)cc1,CID889613,,,,,,,,,,,,,,,0.0,,
Cc1ccc(NC(=O)Cc2ccc(F)cc2)cc1,CID2166869,,,,,,,,,,,0.0,,,,,,
COc1ccccc1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC,CID2886474,,,,,,,,,,,,,,,0.0,,
CC(=O)Oc1ccc(NC(=O)Cc2ccccc2)cc1,CID2226500,,,,,,,0.0,,0.0,,,,0.0,0.0,,0.0,0.0
CCNS(=O)(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)cc1,CID1252163,,,,,,,,,,,,0.0,,0.0,,,
COc1cc([N+](=O)[O-])ccc1NC(=O)Cc1ccccc1,CID307332,,,,,,,,,,,,,,,0.0,,
COc1ccccc1CC(=O)Nc1ccccc1O,CID2233513,,,,,,,,,,0.0,,,,,,,
CCC(C)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1,CID655836,,0.0,,,,,,0.0,,,,,,,,,
Cn1c(=O)c2c(ncn2Cc2cccc(Cl)c2)n(C)c1=O,CID3243744,0.0,0.0,,,,,0.0,,,,,,,,,,0.0
CC(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(Cl)cc1,CID654630,0.0,0.0,0.0,,0.0,,,,,,0.0,,,,,,0.0
C/C(Cl)=C/Cn1c(=O)c2c(nc(Br)n2Cc2ccccc2)n(C)c1=O,CID1103223,0.0,,,,,,,,,,0.0,,,,,,0.0
Cn1c(=O)c2c(nc(Br)n2Cc2ccccc2Cl)n(C)c1=O,CID650153,0.0,,,,,,,,0.0,,,,,,,,0.0
Cn1c(=O)c2c(nc(Br)n2Cc2c(F)cccc2Cl)n(C)c1=O,CID659235,0.0,,,,,,,,0.0,,,,,,,0.0,0.0
C=CCn1c(=O)c2c(nc(Br)n2Cc2ccccc2Cl)n(C)c1=O,CID1286771,,,,,,,,,0.0,,,0.0,,,,,
Cn1c(=O)c2c(ncn2Cc2ccc(Cl)cc2)n(C)c1=O,CID706880,,,,,,,,,,,,,,,0.0,,
Cn1c(=O)[nH]c(=O)c2c1nc(NCCCO)n2Cc1ccc(F)cc1,CID646129,,0.0,,,,,,,,0.0,,,,,,,
CCOC(=O)Cn1c(=O)c2c(nc(Br)n2Cc2ccccc2Cl)n(C)c1=O,CID1102658,,,,,,,,,0.0,,,,,,,,
COCc1ccccc1Cn1cnc2c1c(=O)n(C)c(=O)n2C,CID664163,,,,,,,,0.0,0.0,,,,,,,,0.0
Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2Cc1ccccc1Cl,CID649688,0.0,,,,,,,,0.0,,,,,,,,0.0
CNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1,CID646318,,,0.0,0.0,,,,,,,,,0.0,,0.0,,
CCOC(=O)Cn1c(=O)c2c(nc(Br)n2Cc2ccccc2)n(C)c1=O,CID652378,0.0,,,,,,,,0.0,,0.0,0.0,,,,,0.0
CCC(C)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(C)c1,CID655681,,,0.0,,,,,,0.0,,,,,,,,
C/C=C/CSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(C)cc1,CID5310016,,,,,,,,,,,0.0,,0.0,,0.0,,
CCOC(=O)C(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(Cl)cc1,CID3113041,0.0,,,0.0,,,,,0.0,,0.0,,,,,,0.0
COCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(C(F)(F)F)c1,CID657754,0.0,,,,0.0,,,,,,,,,,,,
CCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(C)c1,CID649788,,0.0,0.0,,,0.0,0.0,0.0,,,,,,,,,
COc1ccc(Cl)c(Cn2c(NCCCO)nc3c2c(=O)n(C)c(=O)n3C)c1,CID662704,0.0,0.0,,,,,,,,,,,,,,,
CCCCC(=O)NCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1,CID648373,,,0.0,,,,,,,,,,0.0,,,,
CCOCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(C)cc1,CID3152879,0.0,,,,,,,0.0,,,0.0,,,,,,
CCOC(=O)Cn1c(=O)c2c(nc(Br)n2Cc2ccc(Cl)cc2)n(C)c1=O,CID652949,0.0,,,,,,,,0.0,,,,,,,,0.0
CCC(C)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1,CID3149622,0.0,0.0,,,,,0.0,,,,,,,,,,
Cn1c(=O)c2c(ncn2Cc2ccccc2)n(C)c1=O,CID95028,,,,,,,,,0.0,,,,,,0.0,,
C=CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1Cl,CID657891,0.0,,0.0,,,,,,,,,,,0.0,,,
CC(CCO)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(Br)c1,CID2962697,,,,,,,,,0.0,,,,,,,0.0,
Cc1ccc(Cn2c(SCC(C)C)nc3c2c(=O)n(C)c(=O)n3C)cc1,CID647668,0.0,,,,,,0.0,,,,,,0.0,,,0.0,
Cc1cccc(Cn2c(NCC(C)O)nc3c2c(=O)n(C)c(=O)n3C)c1,CID2984138,,,,0.0,,,0.0,,,,0.0,,,,,,
COCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(OC)c1,CID657673,0.0,0.0,,,,,0.0,,,,,,,,,,
Cc1cccc(Cn2c(NCCO)nc3c2c(=O)n(C)c(=O)n3C)c1,CID645037,,0.0,,0.0,,,0.0,,,,,,,,,,
Cc1ccc(Cn2c(SCC(N)=O)nc3c2c(=O)n(C)c(=O)n3C)cc1,CID655993,,,,,,,,0.0,,0.0,,,0.0,,,,
CCOC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1F,CID1520503,,,,,,,,,,0.0,,,,,,0.0,0.0
CCSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1,CID646011,0.0,0.0,0.0,,0.0,,,,,,0.0,0.0,,,,,
CCOc1ccc(Cn2c(SCCCCC#N)nc3c2c(=O)n(C)c(=O)n3C)cc1OCC,CID3241567,,,,,,0.0,,,,,,,,,0.0,,
Cn1c(=O)c2c(nc(NCCCO)n2Cc2cccc(C(F)(F)F)c2)n(C)c1=O,CID657761,0.0,,,,0.0,,,,0.0,,,,,,,,0.0
CCCCCOC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(Cl)cc1,CID3113043,0.0,0.0,,0.0,0.0,,,,,,,0.0,0.0,,,,
Cn1c(=O)c2c(ncn2Cc2ccc(Cl)c(Cl)c2)n(C)c1=O,CID706887,,,,,,,,,,,,,,,,,0.0
Cc1ccc(Cn2c(SCC(C)C)nc3c2c(=O)[nH]c(=O)n3C)cc1,CID647715,0.0,0.0,,0.0,,,0.0,0.0,,,,,,,,,0.0
Cn1c(=O)[nH]c(=O)c2c1nc(SCC(O)CO)n2Cc1ccccc1Cl,CID659389,,,,,0.0,,,,,,0.0,,0.0,,,,
CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl,CID646067,0.0,,0.0,0.0,,0.0,0.0,,,,,,,,,0.0,0.0
CC(O)Cn1c(=O)c2c(nc(Br)n2Cc2ccccc2)n(C)c1=O,CID3107942,,,,,,,,,0.0,,,0.0,,,,,
C=C(C)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1,CID700087,0.0,0.0,,0.0,,,,,,,,,0.0,,,,
CC(O)CNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(C(F)(F)F)c1,CID658829,0.0,,,,,,,,0.0,,,,,,,,
CCC(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1Cl,CID3521786,0.0,0.0,,,0.0,,,,0.0,,,,,,,,
CC(C)Sc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1,CID647930,0.0,,0.0,,0.0,,0.0,,,,,0.0,0.0,,,,
CC(C)CNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(Br)c1,CID657850,0.0,,,,,,,,,,0.0,,,,,,0.0
CCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(OC)c1,CID658548,0.0,,0.0,,,,,0.0,,0.0,,,,,,,
Cn1c(=O)c2c(nc(SCC(=O)O)n2Cc2cccc(C(F)(F)F)c2)n(C)c1=O,CID1272528,0.0,,,,0.0,,0.0,,,0.0,,,,,,,0.0
CCCCOC(=O)Cn1c(=O)c2c(nc(Br)n2Cc2ccccc2)n(C)c1=O,CID646323,0.0,,,,,,,,0.0,,0.0,,,,,0.0,
CCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(F)cc1,CID3144898,,0.0,,0.0,,,,,,,,0.0,,,,,
C=CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(C)cc1,CID3126086,0.0,0.0,0.0,,,,,,0.0,,,,0.0,,,,
CN(C)c1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1,CID652467,,,,0.0,,,,,,,,0.0,,,,,
C=CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc(C)c1,CID3145105,,,,0.0,,,0.0,,,,,,0.0,,,,
C=CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1,CID657878,0.0,0.0,0.0,,,,,,,,0.0,,,,,,0.0
Cn1c(=O)c2c(nc(SCCCO)n2Cc2ccccc2Cl)n(C)c1=O,CID661381,0.0,,,,0.0,,,,,,,,0.0,,,,0.0
C=CC(C)Sc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl,CID4180934,0.0,0.0,,0.0,0.0,,0.0,,,,,,,,,,
CCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1,CID3144867,,0.0,,,,,,,,,,,,,,,
C=CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1,CID3144868,0.0,,,,,,0.0,,,,,,,,,,
CCOC(=O)CCn1c(=O)c2c(nc(Br)n2Cc2ccccc2)n(C)c1=O,CID655494,0.0,,,,,,0.0,,0.0,,0.0,,,,,,
CN(C)c1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1Br,CID3241174,0.0,,,,,,,,,,,0.0,,,,0.0,
COC(=O)C(C)Sc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(C)c1,CID646645,,0.0,,,,,,0.0,,0.0,0.0,,0.0,,,,0.0
CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1,CID796599,,,,0.0,,,0.0,,,,,,,,,,
CC(O)CNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(Br)c1,CID654291,0.0,,,,,,,,,,,,,,,0.0,
Cn1c(=O)c2c(nc(SCCCC#N)n2Cc2c(F)cccc2Cl)n(C)c1=O,CID2948513,0.0,0.0,,,0.0,,,,,,,,,,,,0.0
CN(C)c1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(F)cc1,CID719448,,0.0,,,,,,0.0,,,,,,,,,
CCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(C)cc1,CID657847,,0.0,0.0,,,,,0.0,,,0.0,,,,,0.0,
C=CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1c(Cl)cccc1Cl,CID657845,0.0,,,,,,0.0,,,,,,,,,,
Cn1c(=O)c2c(nc(SCCCC#N)n2Cc2ccccc2F)n(C)c1=O,CID3152491,,0.0,,,,,,,,,,,,,,,0.0
C=CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl,CID657787,0.0,0.0,,,,,,,,,0.0,,,,,,0.0
Cn1c(=O)c2c(nc(NCCCO)n2Cc2cccc(Br)c2)n(C)c1=O,CID2969988,,,,,,,,,0.0,,,,,,,,0.0
COc1ccc(Cl)c(Cn2c(NCC(C)O)nc3c2c(=O)n(C)c(=O)n3C)c1,CID662142,,,0.0,,,,0.0,,,,,,,,,,
COCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc(C)c1,CID3153010,,0.0,0.0,,,,,,0.0,,,,,,,,0.0
CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(Cl)cc1,CID654895,0.0,,,0.0,0.0,0.0,,,,,0.0,,,,,,0.0
COCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(C)c1,CID647462,,0.0,,0.0,,,,,,,,0.0,,,,,
COc1ccc(Cl)c(Cn2c(NCCCN(C)C)nc3c2c(=O)n(C)c(=O)n3C)c1,CID2979849,0.0,0.0,,,,,0.0,,,,,,,,,,
Cc1cccc(Cn2c(SCCO)nc3c2c(=O)n(C)c(=O)n3C)c1,CID649055,,,,0.0,,,0.0,,0.0,,,,,,,0.0,0.0
CNC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(C)cc1,CID645148,,0.0,0.0,0.0,,,,0.0,0.0,,,,,,,0.0,0.0
CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(F)cc1,CID719453,,0.0,,0.0,,,,,,,,,,,,,
Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2Cc1ccccc1F,CID666888,0.0,,,,,,0.0,,0.0,,,,,,,0.0,
CCCSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(C)cc1,CID664478,0.0,,0.0,,,,,0.0,,,0.0,,0.0,,,0.0,
CCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc(Br)c1,CID663626,,,,,,,0.0,,0.0,,0.0,,,,,0.0,0.0
COc1cccc(Cn2c(NCC(C)C)nc3c2c(=O)n(C)c(=O)n3C)c1,CID658486,0.0,,,,,,,,,,,,,,0.0,,
CCC(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(Cl)cc1,CID654111,,,,,0.0,,,,,,,,,,,,0.0
N#CCCCSC1=C(C#N)C(c2ccccc2Cl)CC(=O)N1,CID2908174,0.0,0.0,,0.0,0.0,0.0,,,,,,,,,0.0,,0.0
CCSC1=C(C#N)C(c2cccc(OC)c2)CC(=O)N1,CID644512,,0.0,,,0.0,,0.0,,,,,,0.0,,,,
COC(=O)C1C(=O)NC(SC)=C(C#N)C1c1ccccc1F,CID3239236,,0.0,,,,,0.0,,,,0.0,,,,,,0.0
CCOC(=O)C1=C(C)NC(=O)CC1c1ccccc1,CID2864982,,,,0.0,,,,0.0,,0.0,,,,,,0.0,
CCCCCCSC1=C(C#N)C(c2ccc(O)cc2)CC(=O)N1,CID651473,,,,0.0,0.0,,0.0,,,,0.0,0.0,0.0,0.0,,,
COc1cccc(C2CC(=O)NC(SC)=C2C#N)c1,CID2854623,,0.0,,0.0,0.0,0.0,0.0,,,,,,,,,,0.0
CCCSC1=C(C#N)C(c2ccccc2C)C(C(=O)OC)C(=O)N1,CID648366,,,,,,0.0,,0.0,,,,,,,,,
COC(=O)C1=C(C)NC(=O)CC1c1ccccc1F,CID2850505,,,,,,,,0.0,0.0,,,0.0,0.0,,,,
CCSC1=C(C#N)C(c2ccccc2OC)CC(=O)N1,CID3120798,,,,,0.0,,,0.0,,,,,,,,,0.0
C=CCSC1=C(C#N)C(c2ccc(C(C)C)cc2)CC(=O)N1,CID3846477,,,0.0,,0.0,0.0,,,,,,,,,,,
CCSC1=C(C#N)C(c2ccc(OC)c(OC)c2)CC(=O)N1,CID646545,0.0,,0.0,,,,,0.0,,,,0.0,,,,,
C=CCSC1=C(C#N)C(c2cc(Br)c(O)c(OC)c2)CC(=O)N1,CID654554,0.0,,,,,,0.0,,0.0,,0.0,,,0.0,,,0.0
CCOc1ccc(C2CC(=O)NC(SCC(=O)OC)=C2C#N)cc1,CID3120794,,,0.0,,,,0.0,,,,,,0.0,,,0.0,
CCSC1=C(C#N)C(c2cccc(Br)c2)CC(=O)N1,CID2941606,0.0,,,,,,,,0.0,,0.0,,,,,0.0,
CCOC(=O)CSC1=C(C#N)C(c2ccc(C)cc2)C(C(=O)OC)C(=O)N1,CID659973,,,,0.0,,,0.0,0.0,0.0,,,,,,,0.0,
CCCSC1=C(C#N)C(c2cc(OC)ccc2OC)CC(=O)N1,CID2855252,0.0,,,0.0,,,0.0,,,,,,,,,,0.0
C=C(C)CSC1=C(C#N)C(c2ccccc2)CC(=O)N1,CID2854637,,0.0,0.0,,0.0,,,,,,,,0.0,,,,
CCSC1=C(C#N)C(c2cccc(O)c2)CC(=O)N1,CID4227132,,,,,0.0,,,0.0,,,,,,,,,
C=CCSC1=C(C#N)C(c2ccccc2Cl)CC(=O)N1,CID2855710,0.0,0.0,,,0.0,,,,,0.0,,0.0,,0.0,,,0.0
CC1=C(C(=O)OC(C)C)C(c2ccccc2Cl)CC(=O)N1,CID2891573,,0.0,0.0,,,,0.0,,,0.0,,,0.0,0.0,,,0.0
CCCCCCSC1=C(C#N)C(c2ccccc2)CC(=O)N1,CID659280,,,,0.0,,,,,,0.0,,0.0,,,,,
CCOC(=O)C1C(=O)NC(SCC(N)=O)=C(C#N)C1c1ccccc1OCC,CID2908155,,0.0,,,,,,0.0,0.0,,,,0.0,,,,
CCCSC1=C(C#N)C(c2ccccc2OCC)CC(=O)N1,CID645697,0.0,,,0.0,0.0,,0.0,0.0,,,,0.0,,0.0,,,0.0
CCCOC(=O)CSC1=C(C#N)C(c2ccccc2Cl)CC(=O)N1,CID2855568,,0.0,0.0,,0.0,,,,,0.0,,,0.0,,,,0.0
CCCCSC1=C(C#N)C(c2ccccc2C)CC(=O)N1,CID3772589,,,,0.0,0.0,0.0,,,,0.0,,,,,,,
Cc1ccc(C2CC(=O)NC(SCCC(C)C)=C2C#N)cc1,CID2941399,,0.0,,,,,,,,,,0.0,,,,,0.0
COC(=O)C1=C(C)NC(=O)CC1c1ccc(C(=O)OC)cc1,CID2867180,,,,,,,0.0,,,,,,,0.0,,0.0,
CCOC(=O)C1C(=O)NC(SCC(=O)OC)=C(C#N)C1c1ccccc1OCC,CID2941282,,,0.0,,,,,,0.0,0.0,,,,,,0.0,
CCOC(=O)CC(=O)CSC1=C(C#N)C(c2ccccc2OC)CC(=O)N1,CID661106,,,,0.0,,,,0.0,,0.0,,,,,,0.0,
CCOC(=O)CSC1=C(C#N)C(c2ccccc2OCC)C(C(=O)OCC)C(=O)N1,CID660270,,0.0,,,,,0.0,,0.0,0.0,,,0.0,,,0.0,
CCOc1ccccc1C1C(C#N)=C(SCC(=O)OC)NC(=O)C1C(=O)OC,CID655051,,,,,,,0.0,,,,,,,,,0.0,
CCSC1=C(C#N)C(c2ccc(F)cc2)CC(=O)N1,CID3120831,0.0,,,,,0.0,,,,0.0,,,,,,,
CCOC(=O)CSC1=C(C#N)C(c2ccc(Cl)cc2)CC(=O)N1,CID2841450,0.0,,0.0,,0.0,0.0,,,,,,,0.0,,,,0.0
C=CCSC1=C(C#N)C(c2ccc(OCC)cc2)CC(=O)N1,CID2855874,0.0,,,,0.0,,0.0,,,,,0.0,0.0,,,,0.0
COC(=O)CSC1=C(C#N)C(c2ccccc2OC)C(C(=O)OC)C(=O)N1,CID2876431,,0.0,,,,,,0.0,,,,,,,,0.0,
CCSC1=C(C#N)C(c2ccccc2Cl)CC(=O)N1,CID2835634,,,,,0.0,,,,,,,,,,,,
CCOC(=O)CSC1=C(C#N)C(c2ccccc2OC)CC(=O)N1,CID3120801,,0.0,,,,,,,,,0.0,,,,,,
COC(=O)C1=C(C)NC(=O)CC1c1cccc(Cl)c1Cl,CID2852160,,,,,,,,,,,,,,,,,0.0
CSC1=C(C#N)C(c2cccc(Br)c2)CC(=O)N1,CID2998983,0.0,,,,,,0.0,,,,,,,,,0.0,0.0
COC(=O)C1=C(C)NC(=O)CC1c1ccc(F)c(Br)c1,CID2852252,0.0,,,,,,0.0,,0.0,,,,,,0.0,,0.0
N#CC1=C(SCC(N)=O)NC(=O)CC1c1ccccc1Cl,CID2841019,,,,0.0,,,0.0,,,,0.0,,,,,,0.0
CCCCOC(=O)CSC1=C(C#N)C(c2ccccc2OCC)C(C#N)C(=O)N1,CID3236609,,,,,,0.0,0.0,0.0,0.0,,,,0.0,,,,0.0
COC(=O)CSC1=C(C#N)C(c2cccc(F)c2)CC(=O)N1,CID3237272,,,,,,,0.0,,,0.0,,,0.0,,,,
CCOC(=O)CSC1=C(C#N)C(c2ccc(Cl)cc2)C(C(=O)OC)C(=O)N1,CID2942179,0.0,,0.0,,,,,,0.0,,,,,,,,0.0
CCCCSC1=C(C#N)C(c2ccccc2C)C(C(=O)OCC)C(=O)N1,CID3239967,,,0.0,,,0.0,,,,,,0.0,,,,,
CCOC(=O)C1=C(C)NC(=O)C(C(N)=O)C1c1ccccc1,CID659057,,0.0,,0.0,0.0,,,,,,,,,,,0.0,0.0
C=CCSC1=C(C#N)C(c2cccc(OC)c2)CC(=O)N1,CID649763,0.0,,,0.0,0.0,,,,,,,,,,,,0.0
CCC(C)OC(=O)C1=C(C)NC(=O)CC1c1ccccc1OC,CID3236410,,,,,,0.0,,0.0,,,,,,,0.0,0.0,0.0
CCCOc1ccccc1C1CC(=O)NC(C)=C1C(=O)OCC(C)C,CID3243358,,,0.0,0.0,,,,,,,,,,,,0.0,0.0
CCCSC1=C(C#N)C(c2ccccc2C)CC(=O)N1,CID646885,,,,,0.0,,0.0,,,,,,,,,,0.0
C=CCSC1=C(C#N)C(c2ccccc2OCC)CC(=O)N1,CID2998298,0.0,,,0.0,0.0,,,,,,,,,,,,0.0
CCOc1ccc(C2CC(=O)NC(SC)=C2C#N)cc1,CID2854663,,0.0,,0.0,0.0,,,0.0,,,,0.0,0.0,,,,0.0
CCCSC1=C(C#N)C(c2ccc(O)c(OC)c2)CC(=O)N1,CID4671686,,,,,0.0,0.0,,0.0,,,,,,,,,
COC(=O)CSC1=C(C#N)C(c2ccc(C(C)C)cc2)CC(=O)N1,CID3120906,0.0,0.0,0.0,0.0,,,,,0.0,,0.0,0.0,,,,0.0,0.0
CCc1ccc(C2CC(=O)NC(SCC(=O)OC(C)C)=C2C#N)cc1,CID2854935,0.0,0.0,0.0,0.0,,0.0,0.0,0.0,0.0,,,0.0,,,,,0.0
COC(=O)C1=C(C)NC(=O)CC1c1cc(Br)ccc1F,CID2885047,,,,,,,,,,,,,,,0.0,,0.0
COC(=O)CSC1=C(C#N)C(c2ccc(F)cc2)CC(=O)N1,CID3120834,,,,,,,,0.0,,,,,,,,,
CCCCOC(=O)CSC1=C(C#N)C(c2ccccc2OC)C(C#N)C(=O)N1,CID659186,,,,,,,,0.0,,,,,,,,,
COc1ccccc1C1CC(=O)NC(C)=C1C(=O)OC(C)C,CID2997006,,,,,,,,,,,,,,,0.0,,
CCCOC(=O)CSC1=C(C#N)C(c2ccccc2OC)C(C#N)C(=O)N1,CID659274,,,,0.0,,,,0.0,0.0,,,,,,0.0,,
COC(=O)C1=C(C)NC(=O)CC1c1ccccc1,CID2727783,,,,,,,,,,0.0,,,,,,,
COC(=O)C1=C(C)NC(=O)CC1c1cccc(OC)c1OC,CID2853673,,0.0,,0.0,,,0.0,0.0,,0.0,,,0.0,,,0.0,0.0
C=C(C)CSC1=C(C#N)C(c2ccccc2Cl)CC(=O)N1,CID647183,0.0,0.0,,0.0,0.0,,,,,0.0,,0.0,,,,,0.0
CCCOC(=O)CSC1=C(C#N)C(c2ccccc2OCC)C(C#N)C(=O)N1,CID659046,,,,,,,,,0.0,,,,,,,,0.0
CCOC(=O)C1C(=O)NC(SC)=C(C#N)C1c1ccccc1F,CID2909382,,,,,,0.0,,,,,,,,,0.0,,0.0
CSCCOC(=O)C1=C(C)NC(=O)CC1c1ccccc1Cl,CID3244795,0.0,,,,,,,,,,,,,,,,0.0
CCOc1ccccc1C1CC(=O)NC(SCC)=C1C#N,CID2997753,,,,0.0,0.0,,0.0,0.0,,,,,,,,,0.0
COC(=O)CSC1=C(C#N)C(c2cccc(OC)c2)CC(=O)N1,CID3120891,,,0.0,,,,,,,,0.0,,0.0,,,,
COc1ccc(OC)c(C2CC(=O)NC(SC)=C2C#N)c1,CID3120898,,0.0,,0.0,0.0,0.0,,,,,,0.0,,,,,
COC(=O)CSC1=C(C#N)C(c2ccccc2)CC(=O)N1,CID2998283,,,0.0,,,,0.0,0.0,,0.0,,,,,,,
C=CCSC1=C(C#N)C(c2ccccc2)CC(=O)N1,CID649266,,0.0,,0.0,0.0,,0.0,,,,,0.0,,,,,
COc1ccccc1C1CC(=O)NC(C)=C1C(=O)OCC(C)C,CID3236446,,,,0.0,,0.0,0.0,,,,,,,,,,0.0
CCOc1cc(C2CC(=O)NC(SCC)=C2C#N)ccc1O,CID3120913,,,0.0,,0.0,,0.0,,,,0.0,,0.0,,,,
CCSC1=C(C#N)C(c2ccccc2C)CC(=O)N1,CID2999088,,,,,0.0,,0.0,,,,,,0.0,,,,0.0
C=CCSC1=C(C#N)C(c2ccccc2OCC)C(C#N)C(=O)N1,CID647316,,0.0,,0.0,,,,,,,,0.0,0.0,,,,
COC(=O)CSC1=C(C#N)C(c2ccccc2F)CC(=O)N1,CID2909735,,,,0.0,,,0.0,,,,,,,,,,0.0
COC(=O)C1C(=O)NC(SC)=C(C#N)C1c1ccccc1,CID660054,,0.0,,,,,,,,,,,,,,,
C=CCSC1=C(C#N)C(c2ccccc2OC)CC(=O)N1,CID647165,0.0,,,0.0,0.0,,0.0,0.0,,0.0,0.0,,,,,,0.0
CSC1=C(C#N)C(c2ccc(C(C)C)cc2)CC(=O)N1,CID3120826,,,0.0,0.0,0.0,,,,,,,0.0,0.0,,,,0.0
CCOC(=O)CSC1=C(C#N)C(c2ccccc2OCC)C(C#N)C(=O)N1,CID646814,,,,0.0,,,0.0,0.0,0.0,,,,0.0,,,0.0,
C=CCSC1=C(C#N)C(c2ccccc2C)CC(=O)N1,CID651895,,,,,0.0,,0.0,0.0,,,,0.0,0.0,,,,0.0
CCOC(=O)CSC1=C(C#N)C(c2ccccc2Cl)C(C(=O)OC)C(=O)N1,CID2841174,,,0.0,,,,,,,,,,,,,,
COC(=O)CSC1=C(C#N)C(c2ccc(Cl)cc2)C(C(=O)OC)C(=O)N1,CID660745,0.0,,,,,,,,,,,,,,0.0,,0.0
Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCC(=O)O,CID647138,0.0,0.0,,0.0,,,0.0,,,,,,,,,0.0,0.0
COC(=O)c1nn(-c2ccccc2)c(Cl)c1/C=N/O,CID1490012,,,,,,,,,,,,,,,0.0,,
CC(=O)Nc1ccn(-c2ccccc2)n1,CID594242,,0.0,0.0,,,0.0,0.0,,,,0.0,,0.0,,,,
CCOC(=O)c1ccc(-n2ncc(C(=O)OCC)c2N)cc1,CID975290,0.0,0.0,,,,,,,0.0,,,0.0,,,,,
Cc1cc(C)n(-c2c(F)c(F)c(CO)c(F)c2F)n1,CID766316,,,,,,,,,0.0,,,,,,,,
CCOC(=O)c1nn(-c2ccccc2)c(C#N)c1N,CID893054,,,,,,,,,,,,,,0.0,,,
CC(=O)OCc1c(F)c(F)c(-n2nc(C)cc2C)c(F)c1F,CID657905,,,,,,,0.0,,0.0,,,,,,,,
CCNC(=O)COC(=O)c1ccc(-n2nc(C)cc2C)cc1,CID2080785,,,,,,,,,,,,,,,0.0,,
CNC(=O)c1c(Br)cnn1-c1ccc(C)cc1,CID1484425,,,,,,,,,,,,,,,0.0,,
CCOC(=O)CNC(=O)c1c(C)nn(-c2ccccc2)c1Cl,CID646776,0.0,,0.0,0.0,,,0.0,,,0.0,,,,,,0.0,0.0
Cc1ccc(-n2nc(C)c(NC(=O)CCl)c2C)cc1,CID2080976,,,,,,,,,,,,,,,0.0,,
Cc1ccc(-n2nc(C)cc2NC(=O)CC#N)cc1,CID2440126,,,,,,,,,,,,,,0.0,,,
Cc1ccc(-n2nc(CC#N)c(C#N)c2N)cc1,CID2571112,,,,,,,,,,,,,,0.0,0.0,,
CCCCN(C)/C=N/c1c(C#N)cnn1-c1ccc(C)cc1,CID2949486,,,,,,0.0,,,,,,,,,,,
CC(=O)Nc1c(C)nn(-c2ccc(C)c(C)c2)c1C,CID766972,,,,,,0.0,,,,,,,,,,,
CC(=O)Nc1c(C)nn(-c2ccc([N+](=O)[O-])cc2)c1C,CID802519,,,,,,,,,,,,,,0.0,,,
CC(=O)CC(=O)Nc1ccn(-c2ccccc2)n1,CID778688,,,,,,,,,0.0,,,0.0,,,,,
CCOC(=O)c1cnn(-c2ccc(F)cc2)c1N,CID688689,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1c(N)c(C#N)nn1-c1ccccc1C(=O)OC,CID2193438,0.0,,,,,,0.0,0.0,0.0,,,,,,0.0,,
COC(=O)CCc1c(C)nn(-c2ccccc2)c1C,CID659509,0.0,,0.0,,,,,0.0,0.0,0.0,,,0.0,0.0,,0.0,
Cc1cc(C)n(-c2ccc(C(=O)OC(C)C)cc2)n1,CID890111,,,,,,0.0,,,,,,,,0.0,,,
Cc1cccc(-n2nc(CC#N)c(C#N)c2N)c1,CID2444719,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C(=CNc1cc(C)nn1-c1ccc(C)cc1)C(=O)OCC,CID4441417,,,,,,,,,,,0.0,,,,,,
CCOC(=O)/C=C(\C)Nc1cc(C)nn1-c1ccccc1,CID788732,0.0,,,,0.0,0.0,,0.0,0.0,0.0,,,0.0,,,,
CCO/C=N/c1c(C#N)c(CC#N)nn1-c1ccccc1,CID318029,,,,,,,,,,,,0.0,,,,,
CC(C)CC(C(=O)O)C(C)CC(=O)Nc1ccn(-c2ccccc2)n1,CID658611,,,,,0.0,,0.0,,,,,,,,,,
Cc1nn(-c2ccccc2)cc1/C=N/O,CID2121562,,,0.0,,,0.0,,,,,,0.0,0.0,,0.0,,
Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCC(C)C,CID2453307,,,,,,,,,,0.0,,,,,,,
N#Cc1cnn(-c2ccccc2)c1N,CID79256,,,0.0,,,,,,,,,0.0,,,,,0.0
CNc1c([N+](=O)[O-])cnn1-c1ccccc1Cl,CID3420968,,,,,,0.0,,,,,,,,,,,
Cc1cc(C)n(-c2cccc(C(=O)O)c2)n1,CID612274,,,,,,,,,,,,,,0.0,0.0,,
Cc1nn(-c2ccc(C(=O)O)cc2)c(C)c1Cl,CID2456570,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1cnn(-c2ccc(C)cc2)c1N,CID703785,,,,,,,,,,,,0.0,,0.0,,,
CCOC(=O)c1nn(-c2ccc(C)c(C)c2)cc1O,CID730291,,,,,,,,,,,,0.0,,,,,
Cc1nn(-c2ccccc2)c(CC(C)(C)C(=O)O)c1C(=O)O,CID1266812,,,0.0,,,,,0.0,,,,,0.0,,,,
O=C(O)c1ccc(-n2cccn2)c([N+](=O)[O-])c1,CID1483731,,,,,,,,,,,,,,0.0,,,
COC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1Cl,CID740746,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1nn(-c2ccccc2)c(C)c1C(C)=O,CID830638,,,,,,,,,,,,,,0.0,0.0,,
N#CCc1nn(-c2ccccc2)c(N)c1C#N,CID81585,,,,,,,,,,,,0.0,,0.0,,,
Cc1cccc(-n2ncc(C#N)c2N)c1,CID660367,,0.0,,0.0,,,0.0,0.0,,,,0.0,,0.0,,,
COC(=O)c1c(C)nn(-c2ccccc2)c1N,CID5309817,,,,,,,,,,,,,,,,,0.0
CCCCC(C(=O)O)C(C)CC(=O)Nc1ccn(-c2ccccc2)n1,CID657765,0.0,,,,0.0,,0.0,,,,,,0.0,,,,
N#CCc1nn(-c2ccc(Cl)cc2)c(N)c1C#N,CID2571179,,,,,,,,,,,,,,,0.0,,
CCCC(=O)OCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1,CID2090421,,,0.0,,0.0,,,,0.0,,,,,,,,0.0
Cc1cc(C)n(-c2ccc(C(=O)NC(C)C)cc2)n1,CID664135,,,,0.0,,0.0,,,,0.0,,,,0.0,,0.0,
O=C(O)CCCC(=O)Nc1ccn(-c2ccccc2)n1,CID661242,,0.0,,0.0,,,,,0.0,,,,,0.0,,,
CCOC(=O)CNC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1,CID2103187,,,,,,,0.0,,,,,,,,,,
CCOC(=O)c1nn(-c2ccc(C)cc2)cc1O,CID730283,,,,,,0.0,,,,,,0.0,,0.0,,,
Cc1nn(-c2ccccc2)c(C)c1[N+](=O)[O-],CID796703,,,,,,,,,,,,,,,0.0,,
CCC(CCC(=O)Nc1ccn(-c2ccccc2)n1)C(=O)O,CID655766,,,,,0.0,,,,0.0,,,,0.0,0.0,,,
Cc1nn(-c2ccccc2)c(C)c1/C=N/O,CID726833,0.0,0.0,0.0,0.0,,,,,,,,,0.0,,,0.0,
CCOC(=O)c1c(OCCO)nn(-c2ccc(Cl)cc2)c1N,CID2766724,,,,,,,,,,,,,,0.0,0.0,,
Cc1cc(C)n(-c2ccccc2[N+](=O)[O-])n1,CID676927,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)n(-c2cc(C)c(C)cc2Br)n1,CID976873,,,,,,,,,,,0.0,0.0,,,,0.0,0.0
Cc1cc(C)n(-c2ccc(C(=O)O)cc2)n1,CID693206,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1nn(-c2ccccc2)c(C(=O)OCC)c1N,CID892357,,0.0,,0.0,,,0.0,0.0,0.0,,,,,,,,
CCOC(=O)c1c(C#N)cnn1-c1ccc(C)cc1,CID1479401,,,,,,,,,,,,,,0.0,0.0,,
COCC(=O)OCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1,CID3647293,,,,,,,,,,0.0,,,,,,,
COC(=O)c1cn(-c2ccccc2)nc1C(=O)OC,CID648745,,,,,,,,,,,,,,,0.0,,
CCOC(=O)/C(=C/Nc1cc(C)nn1-c1ccccc1)C(C)=O,CID6087362,,,,,,,,,,,0.0,,,,,,
CC(C)c1cc(C(=O)O)n(-c2ccccc2)n1,CID847162,,,,,,,,,,0.0,,,,,,,
Cc1cc(C)cc(-n2nc(C)cc2N)c1,CID2415595,,,,,,,,,,,,,,,0.0,,
Cc1ccc(-n2ncc(C#N)c2/N=C/N(C)C)cc1,CID2768490,,0.0,,0.0,,,,,,,,0.0,,,,,
CCOC(=O)c1cc(C(=O)OCC)cc(-n2cc(O)c(C(=O)OCC)n2)c1,CID1190210,,,,,,0.0,,,,,,,,,,,
CNC(=O)COC(=O)/C=C/c1c(C)nn(-c2ccccc2)c1C,CID2106191,,,,,,,,,,,,,,0.0,0.0,,
Cc1cc(NC(=O)CC#N)n(-c2ccccc2)n1,CID2356870,,,,,,,,,,,,,,0.0,,,
Cc1cc(N)n(-c2ccc([N+](=O)[O-])cc2)n1,CID786267,,,,,,,,,,,,,,0.0,,,
Cc1nn(-c2ccccc2)c(C)c1CCC(=O)O,CID783981,,,,,,0.0,,,0.0,,,,0.0,0.0,,,
CCOC(=O)c1nn(-c2cccc(Cl)c2)c(C)c1C(C)=O,CID1237111,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)n(-c2cc(C(=O)O)cc(C(=O)O)c2)n1,CID976376,,,,,,,,,,,,,,,0.0,,
CCOCCCNC(=O)c1cc(C)nn1-c1ccccc1,CID5309119,,0.0,,,,,,,,,,,,,,,
CCCNC(=O)c1c(Cl)cnn1-c1ccc(C)cc1,CID3416714,,,,,,,,,,,,,,,0.0,,
CNC(=S)N/N=C/c1c(C)nn(-c2ccccc2)c1Cl,CID1214197,,,,,,,,,,,,,,,0.0,,
Oc1cnn(-c2ccccc2)c1,CID555359,,,,0.0,,,,0.0,,,,0.0,,,,,
CCOC(=O)c1cnn(-c2ccccc2)c1N,CID85270,,,,,,0.0,,,0.0,,,0.0,,0.0,,,
CCOC(=O)c1cnn(-c2cccc(Cl)c2)c1N,CID757292,0.0,,,0.0,,,0.0,,,0.0,,,,,0.0,1.0,0.0
CC(C)(C)c1cc(C(=O)O)nn1-c1ccccc1,CID611222,,,,,,,0.0,,,,0.0,,0.0,0.0,,,
CNc1c([N+](=O)[O-])cnn1-c1ccc(C)cc1,CID4318318,,,,,,0.0,,,,,,,,,,,
Cc1cc(N)n(-c2ccccc2)n1,CID70801,,,,,,,,,,,,0.0,,,,,
CN(C)/C=N/c1c(C#N)cnn1-c1ccccc1,CID2800318,,0.0,,0.0,,0.0,,0.0,,,,0.0,0.0,,0.0,,0.0
CCOC(CNC(=O)c1cc(C)nn1-c1ccccc1)OCC,CID9550585,,,,,,,,,,,0.0,,,,,,
Oc1ccc(CNc2ccccc2O)cc1,CID2246060,,,,,,,,,,,0.0,0.0,,0.0,0.0,,
COc1ccccc1CNc1cc(C)ccc1C,CID775179,,,,,,,,,,0.0,,,,,,,
COc1ccc(NC(C)c2cc(Cl)ccc2O)cc1,CID2948326,,,0.0,,,,,,,,,0.0,,,,,
O=C(CCl)N(Cc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1,CID798396,,,,,,,,,,,,,,0.0,,,
CNC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1,CID875239,0.0,0.0,,,,,0.0,,0.0,,,,0.0,,,0.0,0.0
CCOC(=O)c1ccc(NCc2ccc(N(C)C)cc2)cc1,CID3243284,0.0,,,0.0,0.0,0.0,0.0,,,,,,,,,0.0,0.0
Cc1cccc(N(Cc2ccccc2F)S(C)(=O)=O)c1,CID966907,,0.0,,,,,0.0,0.0,,,,,,,,,0.0
O=C(O)c1ccc(NCc2cccc(Br)c2)cc1,CID834064,,,,,,,,,,,,,,,0.0,,
COc1ccccc1CNc1ccc(C(=O)O)cc1,CID834063,,,,,,0.0,,,0.0,0.0,0.0,,,,,,
CC(C)NC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O,CID786754,,,,,,0.0,,,0.0,,,,,,,,
O=C(O)c1ccc(CNc2ccccc2C(=O)O)cc1,CID969875,,,0.0,0.0,,,,,,0.0,,,,0.0,,,0.0
Cc1ccc(NC(C)c2cc(Cl)ccc2O)cc1,CID2948191,,,,,,,,,,0.0,,,,,,,
CSc1ccc(CNc2ccc(C)cc2)cc1,CID834582,,,,,,,,,,,,,,,0.0,,
COc1cc(C)c(CNc2cccc(C)c2)cc1C,CID784349,,,,,,0.0,,,0.0,0.0,0.0,,,0.0,,,
CN(C)CCCNC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1,CID2262351,,,,,0.0,,,0.0,,,,,,,,0.0,
CCOc1ccc(NC(C)c2cc(Cl)ccc2O)cc1,CID2948111,,,,,,,,,,,,,,,,,0.0
COc1cc(Br)cc(CNc2ccc(F)c([N+](=O)[O-])c2)c1O,CID1250764,,,,,,,,,,,,,,,0.0,,
CNC(=O)c1ccc(N(Cc2ccccc2C)S(C)(=O)=O)cc1,CID893386,0.0,,0.0,0.0,,,,0.0,,,,0.0,,,,,
CCc1ccc(CNc2ccc(O)cc2)cc1,CID833970,,,,0.0,,,0.0,,,,0.0,,,,,,
COc1cc(OC)c(OC)cc1CNc1cc(C)ccc1OC,CID766823,,,,,,0.0,,,,,0.0,,,,,,
COc1cc(CNc2cc(C)ccc2C)cc(OC)c1OC,CID772849,,,,,,,0.0,0.0,,,0.0,,,,,,
COC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O,CID786749,,,,,,,,,0.0,0.0,,0.0,,,,0.0,
COc1ccc(CNc2ccccc2SC)cc1OC,CID784036,,,,,,0.0,,,,,,,,,,,
CSc1ccc(CNc2ccc(C)c(C)c2)cc1,CID834556,,,,,,0.0,,,,,,,,,,,
Cc1ccccc1CN(c1ccc(C(N)=O)cc1)S(C)(=O)=O,CID2083600,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,,,,,,,,0.0,
C=CCc1cccc(CNc2c(C)cc(C)cc2C)c1O,CID753623,,,,,,,,,,,,,,,0.0,,
C=CCOc1c(CNc2ccc(C(=O)O)cc2)cccc1OC,CID2213879,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(C#N)Nc2ccccc2)cc1,CID291032,,,,,,,,,,,,0.0,,,,,
C=CCOc1c(CNc2ccc(S(N)(=O)=O)cc2)cccc1OC,CID1817841,,,,,,,,,,0.0,,,,0.0,,,
O=C(O)CCCNS(=O)(=O)c1ccc(NCc2ccccc2)c(C(=O)O)c1,CID2415016,,,,,0.0,,,,0.0,0.0,,,,,0.0,,
COc1ccc(CNc2cccc(F)c2)cc1Br,CID784216,,,,,,,,,,,,0.0,,,,,
COc1ccc(CN(C(C)=O)c2cccc(C)c2C)cc1,CID895458,0.0,,,,,,,0.0,0.0,,,0.0,,,,0.0,
Cc1ccc(CNc2ccc(Cl)cc2[N+](=O)[O-])cc1,CID2764975,,,,,,0.0,,,,,,,,,,,
COc1ccc(CNc2ccc(S(N)(=O)=O)cc2)c(OC)c1OC,CID667331,,,0.0,,0.0,0.0,0.0,0.0,,,,,,,,,
COc1cc(C)c(CNc2cc(C)cc(C)c2)cc1C,CID743638,,,,,,,,,0.0,,,,,,,,
COc1ccc(NC(C#N)c2ccc(OC)cc2)cc1,CID4679061,,,,,,,,,,0.0,,,,,,,
COc1ccc(CNc2cc(C)ccc2C)c(OC)c1OC,CID775226,,,0.0,,,,,,,,0.0,,,,,0.0,
COc1ccc(CNc2ccc(Br)cc2)cc1,CID775227,,,,,,,,,,,,,,,0.0,,
COc1cccc(CNc2ccc(F)c(Cl)c2)c1O,CID3241080,,,0.0,0.0,,,0.0,,,,,,,,,,
COc1ccc(CNc2ccc(C)cc2)cc1Br,CID900364,,,,,,,,,,,0.0,,,,,,
COc1ccc(Br)cc1CNc1ccc(S(N)(=O)=O)cc1,CID1017676,,,,,,,,,,,,,,0.0,,,
C=CCOc1c(CNc2cccc(C(=O)O)c2)cccc1OCC,CID2215587,,,,,,,,,,,,,,,0.0,,
N#Cc1ccccc1NCc1ccccc1,CID324787,,,,0.0,,,0.0,,,,,0.0,,0.0,,,
CSc1ccc(CNc2ccccc2)cc1,CID834592,,,,,,0.0,,,,,,,,,,,
COc1cc(CNc2cccc(F)c2)cc(Br)c1O,CID784453,0.0,,,,,,,,,,,,,,,0.0,0.0
CN(C)S(=O)(=O)N(Cc1ccc(Br)cc1)c1ccccc1,CID2225801,,,,,,,,,0.0,,,,,0.0,0.0,,
Cc1ccc(CNc2ccc(O)cc2)cc1,CID833988,,,,0.0,,,,,,,0.0,,,0.0,,,
COc1ccc(Br)cc1CNc1ccc(O)cc1,CID833981,0.0,,,,,,,,,,,,,,,0.0,0.0
COc1ccc(CNc2ccccc2)cc1Br,CID766807,,,,,,,,,,,,0.0,,,,,
CCOc1cc(CNc2ccc(N(C)C)cc2)cc(Br)c1OCC(=O)NC(C)(C)C,CID1017323,,,,,,,,,,,,0.0,,,,,
CCOC(=O)C(C(=O)OCC)C(Nc1ccc(Br)cc1)c1ccccc1,CID2925908,,,,,,,,,,,,0.0,,,,,
COc1ccc(NCc2ccc(OC)c(OC)c2)cc1,CID784220,0.0,,,,,,,,,,,,,,,,
Cc1cccc(NCc2ccccc2O)c1,CID3236648,,,,0.0,,,0.0,0.0,,0.0,0.0,0.0,,,,,0.0
COc1ccc(CNc2cc([N+](=O)[O-])ccc2OC)cc1,CID870877,,,,,,,,,,,,0.0,,,0.0,,
NS(=O)(=O)c1ccc(NCc2c(F)cccc2Cl)cc1,CID834457,,,,0.0,,,0.0,,,,,,,,,,
COc1cccc(CNc2ccc(S(N)(=O)=O)cc2)c1OC,CID834458,,,,0.0,0.0,,0.0,,,,,,0.0,,,0.0,
Cc1cc([N+](=O)[O-])ccc1NCc1cccc([N+](=O)[O-])c1,CID2853777,,,,,,,,,,,,,,,0.0,,
CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)O,CID786773,,,,,,,,,,,,0.0,,,,,
COc1ccc(C)cc1NCc1cccc(OC)c1OC,CID775256,,,0.0,,,,,,,,,,,,,0.0,
CCOC(=O)C(C(=O)OCC)C(Nc1cccc(Br)c1)c1ccccc1,CID2925625,,,,,,,,,,,,0.0,,,,,
COc1cc(CNc2ccccc2SC)cc(OC)c1OC,CID784434,,,,,,0.0,,,,,,,,,,,
CCCNC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1,CID2193637,,,,,,,,,0.0,,,0.0,,,,,
COc1ccc(C(C#N)Nc2ccccc2OC)cc1,CID662938,,,,,0.0,,0.0,,,0.0,,0.0,,,,,
CCOc1ccc(CNc2ccc(S(N)(=O)=O)cc2)cc1,CID935117,,,,,,,,,,,,,,0.0,,,
COc1cc(C)c(CNc2ccc(OC)c(OC)c2)cc1C,CID783769,,,,,,,,,,,0.0,,,,,,
CCOc1cc(CNc2ccccc2SC)ccc1O,CID784242,,0.0,,0.0,0.0,,0.0,,,,,,,,,,
CC(=O)N(Cc1ccccc1)c1ccc(C(=O)O)cc1,CID660409,,,,,,,0.0,,0.0,,,,,0.0,,,
COc1ccc(NC(C)c2ccccc2)cc1,CID3849761,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(C#N)Nc2ccccc2C)cc1,CID3290031,,,,,,0.0,,,,,0.0,,,,,,
Cc1cc([N+](=O)[O-])ccc1NCc1ccccc1,CID2851650,,,,,,0.0,,,,,,,,,,,
Cc1cccc(N(Cc2ccccc2)C(=O)CCl)c1,CID2455004,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(CNc2ccc(C(=O)O)cc2)cc1,CID2731039,,,0.0,,,,,0.0,0.0,,,,,0.0,,0.0,0.0
COc1ccc(C(C#N)Nc2ccc(C)cc2)cc1,CID3738018,,,,,,0.0,,,,,,,,0.0,,,
Cc1cccc(NCc2ccccc2O)c1C,CID3236047,,,,,,,,,,0.0,0.0,,,,,,
COc1cc(CNc2ccc(C)c(C)c2)cc(OC)c1OC,CID3858898,,,,,,0.0,,,0.0,,,,0.0,,,0.0,
CS(=O)(=O)N(Cc1ccccc1F)c1ccccc1,CID838651,,,,,,,,,,0.0,,,,,,,
C=CCOc1c(CNc2ccc(C(=O)O)cc2)cccc1OCC,CID2215406,,,,,,0.0,,,,,,,,,,,
COc1cc(CNc2ccccc2SC)ccc1O,CID784359,,,,,0.0,,,,,,,,,,,,0.0
COc1ccccc1CNc1ccc([N+](=O)[O-])cc1C,CID2850014,,,,,,,,,,,,,,0.0,,,
N#CC(C#N)=Cc1cccn1-c1ccc(C(=O)O)cc1,CID1090479,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1,CID882513,,,,,,,,,,,,,,0.0,0.0,,
O/N=C/c1cccn1-c1ccccc1,CID870729,,,0.0,0.0,,,0.0,,,,,,,,,0.0,
CC(=O)C(=Cc1cc(C)n(-c2ccccc2)c1C)C(C)=O,CID2313209,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C)n1-c1cccc(N)c1,CID648465,,,,0.0,,0.0,0.0,0.0,,,,0.0,,,,,
COc1ccc(-n2c(C)cc(C=O)c2C)cc1Cl,CID889247,,,,,,,,,,0.0,,,,0.0,0.0,,
COc1ccc(-n2c(C)ccc2C)c([N+](=O)[O-])c1,CID728667,,,,,,,,,,,,,,0.0,,,
COc1ccc(N)cc1-n1c(C)ccc1C,CID776878,,,,,,0.0,,,,,,,,,,,
CC(=O)c1c(C(C)=O)c(C)n(-c2ccc(C(=O)O)cc2)c1C,CID652958,,,0.0,,,,,,,,,,,,,,
COc1ccc(C)cc1-n1c(C)cc(C=O)c1C,CID974668,,,,,,,,,,,,,,,0.0,,
COc1ccc(OC)c(-n2c(C)cc(C=O)c2C)c1,CID974665,,,,,,,,,,,,,,0.0,0.0,,
COc1cc(OC)c(-n2c(C)cc(C=O)c2C)cc1Cl,CID974664,,,,,,0.0,,,,,,0.0,,0.0,,,
COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C=O)c2C)c1,CID2064128,,,,,,,,,,,,,,0.0,,,
O/N=C/c1cccn1-c1ccc(O)cc1,CID801428,,,,,,,,,,,,0.0,,,,,
Cc1cc(C=C(C#N)C#N)c(C)n1-c1ccccc1,CID793184,,,,,,0.0,,,,,,,,,0.0,,
CCN(CC)C(=O)C(=O)c1cccn1-c1ccccc1C#N,CID4679495,,,,,,,,,,,,0.0,,,,,
CC(=O)c1c(C(C)=O)c(C)n(-c2cccc([N+](=O)[O-])c2)c1C,CID804521,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccc(C)n1-c1cccc(C(=O)O)c1,CID213329,,,,,,,,0.0,0.0,,,,,0.0,,0.0,
COC(=O)c1c(N)c(C#N)c(C)n1-c1ccccc1,CID750199,,,,,,,0.0,,0.0,,0.0,0.0,0.0,0.0,0.0,,
COc1cccc(-n2c(C)c(C(C)=O)c(C(C)=O)c2C)c1,CID767208,,,0.0,0.0,,,,,0.0,0.0,0.0,,,,0.0,,
CCC(=O)NCc1c(Cl)cccc1-n1cccc1,CID3727893,,,,,,0.0,,,,,,,,,,,
CSc1cccc(-n2c(C)cc(C(N)=O)c2C)c1,CID2123826,,,,0.0,0.0,0.0,,0.0,,,,,,,,,0.0
COc1ccc(-n2c(C)c(C(C)=O)c(C(C)=O)c2C)cc1,CID183411,,,,,,,,,0.0,,,,,,,,
O=C(O)c1ccc(-n2cccc2)cc1O,CID648800,,,,,,,,,,0.0,,,0.0,,,0.0,
CCOC(=O)c1c(N)c(C#N)cn1-c1ccccc1,CID667745,,0.0,,,,,,0.0,0.0,,0.0,0.0,0.0,,,,
COc1ccc(Cl)cc1-n1c(C)cc(C(=O)O)c1C,CID2339352,,,,,,0.0,,,,,0.0,,,0.0,,0.0,0.0
Cc1cc(C=O)c(C)n1-c1ccc(Cl)c(C(=O)O)c1,CID818781,,,,,,,,,,,,,,0.0,,,
Cc1cc(C(=O)CC#N)c(C)n1-c1ccc(OC(F)F)cc1,CID2998623,,,,,,,,,,,,,,,,,0.0
COC(=O)c1cn(-c2ccccc2)c(C)c1C(=O)OC,CID827521,,,,,,,,,0.0,0.0,0.0,,,0.0,,,
CCC(=O)OCC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C,CID2096395,,,,,,,,,,,,,,0.0,0.0,,
COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)CC#N)c2C)c1,CID2321979,,0.0,,,,,0.0,,,,,,0.0,,0.0,,
CC(=O)NCc1c(Cl)cccc1-n1cccc1,CID3478721,,,,,,0.0,,,,,,,,,,,
CCOC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(C)cc2)c1C,CID874064,,,,,,,,,,,,0.0,,0.0,,,
Cc1c(C(=O)O)cccc1-n1c(C)ccc1C,CID776834,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-n2c(C)cc(C=C(C#N)C#N)c2C)cc1,CID793195,,,,,,0.0,,,,,,,,,,,
Nc1cc(C(F)(F)F)ccc1-n1cccc1,CID2779962,,,,,,,,,,,,,,0.0,,,
Cc1cc(C=O)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1,CID886608,,,,,,,,,,,,,,,0.0,,
COc1ccccc1-n1c(C)cc(C=O)c1C,CID1121197,,,,,,,,,,0.0,0.0,,,,,,
CCC(CC)C(=O)Nc1ccccc1-n1cccc1,CID1234850,,,,,,0.0,,,,,,,,,,,
CC(=O)c1c(C(C)=O)c(C)n(-c2ccc(O)cc2)c1C,CID806572,,,,,,,,,0.0,0.0,0.0,,,,,,
Cc1ccc(-n2c(C)cc(C=O)c2C)cc1C,CID877741,,,,,,0.0,,,,,,,,,,,
Cc1cc(C(=O)CCl)c(C)n1-c1cccc([N+](=O)[O-])c1,CID2526861,,,,,,,,,,,,,,0.0,,,
CN(C)S(=O)(=O)c1ccc(-n2cccc2)cc1,CID1470976,,,,,,,,,,,,,,,0.0,,
Cc1ccc(N)cc1-n1c(C)ccc1C,CID650248,,,,,,,0.0,,,0.0,0.0,,,,,,
COCC(=O)OCC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C,CID2105323,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C)n1-c1ccc(C(=O)O)cc1,CID459078,,,,,,,,,,,0.0,,,0.0,,,
Cc1cc(/C=N/O)c(C)n1-c1ccc(Br)cc1,CID878007,,,,,,,,,,,,,,,0.0,,
CCOC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2)c1C,CID2293616,,,,,,,,,0.0,,,,,0.0,,,
Cc1cc(C=O)c(C)n1-c1ccc([N+](=O)[O-])cc1,CID2879704,,,,,,0.0,,,,,,,,,,,
CCN(CC)c1ccc(-n2c(C)cc(C=O)c2C)cc1,CID2899008,,,,,,0.0,,,,0.0,,,,,0.0,,
CCOC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Br)cc2)c1C,CID1977516,,,,,,,,,0.0,,,0.0,,,0.0,,
CCOC(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2)c1C,CID874094,,,,,,,,,0.0,,,,,0.0,,,
Cc1cc(C(=O)O)ccc1-n1c(C)ccc1C,CID776845,,,,,,,,,1.0,,,0.0,,,,,
CN(C)C(=O)C(=O)c1cccn1-c1cccc(Cl)c1C#N,CID3784106,,,,,,,,,,,,,,0.0,,,
CC(=O)Nc1ccc(-n2c(C)c(C(C)=O)c(C(C)=O)c2C)cc1,CID876891,,,,0.0,0.0,0.0,,,,,,,,,0.0,,0.0
CCN(CC)c1ccc(-n2c(C)c(C(C)=O)c(C(C)=O)c2C)cc1,CID658866,0.0,,,,0.0,,,0.0,,,,,0.0,,,,0.0
CCOc1ccc(-n2c(C)c(C(C)=O)c(C(C)=O)c2C)cc1,CID740469,,,,,,,,,0.0,0.0,,,,,,,
O=C(O)c1cccc(-n2cccc2/C=N/O)c1,CID755808,,,,,,0.0,,,,,,,,,,,
COC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1C,CID818779,,,,,,,,,,,,,,0.0,0.0,,
C/C(N)=C(/C#N)C(=O)COC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C,CID5742565,,,,,,,,,,0.0,,,0.0,,,0.0,
Cc1cccc(-n2c(C)cc(C=O)c2C)c1,CID877572,,,,,,0.0,,,,,,,,,,,
COc1ccc(-n2cccc2C=O)cc1OC,CID1485780,,,,,,,,,,,,,,,0.0,,
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)O)c1,CID801678,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C(=O)O)cc1-n1c(C)cc(C=O)c1C,CID768641,,,,,,,,,,,,,,,0.0,,
O/N=C/c1cccn1-c1ccc(Br)cc1,CID882007,,,,,,,,,,,,0.0,,,,,
COc1ccc(-n2c(C)c(C(C)=O)c(C(C)=O)c2C)cc1OC,CID804739,,,,,,0.0,0.0,0.0,,,0.0,,,,,0.0,
COc1ccc(-n2c(C)cc(C(=O)CCl)c2C)cc1,CID2378291,,,,,,,,,,,,,,0.0,,,
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(N)=S)c1C,CID839736,,,,,,0.0,,,,,,,,,,,
CC(=O)c1c(N)c(C#N)c(C)n1-c1ccc(Br)cc1,CID659884,0.0,,,,,,0.0,,,,,0.0,,,,,
O/N=C/c1ccn(-c2ccc(Br)cc2)c1,CID2768184,,,,,,,,,,,,,,,0.0,,
Cc1cc(C(=O)O)c(C)n1-c1ccccc1,CID292955,,,,,,,,,,,,0.0,,,,,
CCc1ccc(-n2c(C)cc(/C=N/NC(=O)OC)c2C)cc1,CID5210128,,,,,,,,,,,,,,,0.0,,
CC(=O)c1c(C(C)=O)c(C)n(-c2ccc(N)cc2)c1C,CID729794,,,,,,,,,,0.0,,0.0,,,,,
CCOC(=O)c1cc(C)n(-c2ccc(OC)c(OC)c2)c1C,CID658482,,,,,,,0.0,,0.0,,0.0,,,,0.0,,
Cc1cc(C)cc(-n2c(C)cc(C=C(C#N)C#N)c2C)c1,CID3121511,,,,,,0.0,,,,,,,,,,,
C=CCN(CC=C)C(=O)C(=O)c1cc(C)n(-c2ccc([N+](=O)[O-])cc2)c1C,CID4221182,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-c2nc(CS(=O)CC(=O)NCCC(C)C)c(C)o2)cc1,CID5308649,,,,,,0.0,,,,,,,0.0,,,,
CCN(CC)CCNC(=O)CS(=O)Cc1nc(-c2ccc(Cl)cc2)oc1C,CID3244781,0.0,0.0,,,0.0,,,,,,,,,,,,0.0
CCCCNC(=O)CS(=O)Cc1nc(-c2cccc(Cl)c2)oc1C,CID5309940,,0.0,,,,,,,,,,,,,,,
CCOc1ccc(-c2nc(C#N)c(NCC(C)C)o2)cc1,CID661150,0.0,,,,0.0,0.0,,,0.0,,,0.0,,,,,
CN(C)c1oc(-c2ccccc2F)nc1C#N,CID949824,,,,0.0,,,0.0,,,,,,,,,,
CCCNC(=O)CS(=O)(=O)Cc1nc(-c2cccc(OC)c2)oc1C,CID5307631,,,,0.0,,,,0.0,,0.0,0.0,,,,,0.0,
COCCNc1oc(-c2ccc(Cl)cc2)nc1C#N,CID661088,0.0,,,0.0,,,,,,0.0,0.0,,,,0.0,0.0,0.0
Cc1ccc(-c2nc(CS(=O)CC(=O)NCCN(CC(C)C)CC(C)C)c(C)o2)cc1,CID3243730,,,,,,,,0.0,,,,,,,,,
CCCNC(=O)CS(=O)Cc1nc(-c2ccccc2C)oc1C,CID5309032,,0.0,,,,,,0.0,,,,,0.0,,,,
C=CCNc1oc(-c2ccc(OC)cc2)nc1C#N,CID2941177,,,,,,,,0.0,0.0,,,,,,,0.0,
COCCNC(=O)CSCc1nc(-c2ccc(SC)cc2)oc1C,CID3245395,,,1.0,,0.0,0.0,,,,,,,,,,,
CN(C)CCCNc1oc(-c2cccc(Cl)c2)nc1C#N,CID664168,0.0,,,,,,0.0,,,,,,0.0,,,0.0,0.0
CNC(=O)c1oc(-c2ccc(Cl)cc2)nc1C,CID1486770,,,,,,,,,,,,,,0.0,0.0,,
C=CCNc1oc(-c2ccc(OCC)cc2)nc1C#N,CID1984543,0.0,,0.0,,,,0.0,,0.0,0.0,,0.0,,,0.0,,
CN(C)CCNc1oc(-c2ccccc2F)nc1C#N,CID892397,,0.0,,0.0,,,,0.0,,,,0.0,,,,,
CCN(CC)CCNC(=O)CS(=O)Cc1nc(-c2ccccc2Cl)oc1C,CID3237307,0.0,0.0,,0.0,0.0,,,,,,,,,,,,0.0
CNc1oc(-c2ccccc2)nc1C#N,CID569077,,,,,,,0.0,0.0,,,,,0.0,,,,
COCCCNC(=O)CS(=O)(=O)Cc1nc(-c2ccccc2C)oc1C,CID5307457,,,,,,,,,,,,,,,,0.0,
COCCNC(=O)CS(=O)Cc1nc(-c2ccccc2C)oc1C,CID5308676,,,,0.0,,,,,,,0.0,,,,,0.0,
CN(C)c1oc(-c2ccccc2)nc1C#N,CID3240093,,,,,,,,0.0,,,,,,,,,
CCOc1cnc(-c2ccc(OC)cc2)o1,CID2763518,,,,,,0.0,,,,,,,,,,,
COc1cccc(-c2nc(CS(=O)(=O)CC(=O)NCCC(C)C)c(C)o2)c1,CID5307092,,0.0,,0.0,,,0.0,,,,,,,,,0.0,
COCCNC(=O)CS(=O)(=O)Cc1nc(-c2ccc(C)cc2)oc1C,CID5307093,,,,,,,,,,,,,0.0,,,,
CCC(C)NC(=O)CS(=O)Cc1nc(-c2ccccc2C)oc1C,CID5309335,,,,0.0,,0.0,0.0,,,,,0.0,,,,,
COc1cccc(-c2nc(CS(=O)CC(=O)NCCCOC(C)C)c(C)o2)c1,CID3240596,,,0.0,,,,,,0.0,0.0,,,,,,0.0,
CSc1oc(-c2ccccc2)nc1C(N)=O,CID1204323,,,,0.0,0.0,,0.0,,,,,,,,,,
CNc1oc(-c2ccc(Cl)cc2)nc1C#N,CID661037,0.0,,,0.0,,,0.0,,,,,,,,,,0.0
CCCCNC(=O)CS(=O)Cc1nc(-c2ccc(C)cc2)oc1C,CID5307863,,,,0.0,,,,,,,,,0.0,,,,
CCC(C)NC(=O)CS(=O)Cc1nc(-c2cccc(C)c2)oc1C,CID5307869,,,0.0,,,,,,,,,,,,,,
CCN(CC)CCNC(=O)CS(=O)Cc1nc(-c2ccc(C)cc2)oc1C,CID3243327,,,0.0,,,,,0.0,,,,,0.0,,,0.0,
CCCNC(=O)CS(=O)(=O)Cc1nc(-c2ccccc2C)oc1C,CID5308844,,,,,,,,,,,,,,,0.0,,
COc1ccc(-c2nc(C#N)c(NCCCN(C)C)o2)cc1OC,CID664037,,,,0.0,,,,,,,,,,,,0.0,
COCCCNc1oc(-c2ccccc2F)nc1C#N,CID2055696,,0.0,,0.0,,,,0.0,,,,,,,,,
CCC(C)NC(=O)CS(=O)(=O)Cc1nc(-c2cccc(OC)c2)oc1C,CID5308309,,0.0,,,,,,0.0,0.0,,,,,,,,
COCCCNc1oc(-c2ccccc2OC)nc1C#N,CID663731,0.0,0.0,0.0,,,,0.0,0.0,0.0,,,,0.0,,,,
CN(C)CCCNc1oc(-c2ccccc2)nc1C#N,CID3000136,,,,0.0,,0.0,0.0,,,,,,,,,,
CCCCNC(=O)CS(=O)Cc1nc(-c2cccc(C)c2)oc1C,CID5307100,,,0.0,,,,,,,,0.0,,0.0,,,,
COc1ccc(-c2nc(C#N)c(NC(C)C)o2)cc1,CID2337199,,,,,,,,,0.0,0.0,0.0,,,,0.0,0.0,
O=C(O)Cc1coc(-c2ccc(F)cc2)n1,CID3244952,,,,,,0.0,0.0,,,,,,,,,,
COCCNC(=O)CS(=O)Cc1nc(-c2ccc(Cl)cc2)oc1C,CID5307614,0.0,,,,,,,,,,,,0.0,,,,
CN(C)CCNc1oc(-c2cccc(Cl)c2)nc1C#N,CID940761,,,,,,,,,,,,,,,0.0,,
COC(=O)c1oc(-c2ccccc2)nc1C,CID3310118,,,,,,,,,,,,,,,0.0,,
CCCN(CCC)CCNC(=O)CS(=O)Cc1nc(-c2ccc(C)cc2)oc1C,CID3241591,,,,,,0.0,,,,,,,0.0,,,,
COCCNc1oc(-c2ccc(F)cc2)nc1C#N,CID661012,,,,0.0,,0.0,,0.0,,0.0,,,0.0,,,,
CN(C)c1oc(-c2ccccc2Cl)nc1C#N,CID891940,,0.0,,,,,,,,0.0,,,,,,,
CN(C)CCCNc1oc(-c2ccc(Cl)cc2)nc1C#N,CID2999847,0.0,,0.0,,,,,,,,,,,,,0.0,0.0
CCC(C)NC(=O)CS(=O)Cc1nc(-c2cccc(OC)c2)oc1C,CID5308185,,,,0.0,,,,,,,,,,,,,
CCCCN(C)CCCNC(=O)CS(=O)Cc1nc(-c2ccc(OC)c(OC)c2)oc1C,CID3242188,,,,,0.0,,,,,,,,,,,,
CCCNC(=O)CS(=O)Cc1nc(-c2ccc(OC)cc2)oc1C,CID5307175,,,,,,0.0,,,,,,,,,,0.0,
COc1oc(-c2ccccc2)nc1C(F)(F)F,CID715549,,,,,,,,,,,,,,,,,0.0
CCOCCCNC(=O)CS(=O)(=O)Cc1nc(-c2cccc(OC)c2)oc1C,CID3240144,,,,,0.0,,,,0.0,,,0.0,,,,0.0,
CCCCSCCCNC(=O)CS(=O)Cc1nc(-c2cccc(C)c2)oc1C,CID3239468,,,,,0.0,,,,,,,,,,,,
CNc1oc(-c2ccccc2Cl)nc1C#N,CID661078,0.0,,0.0,0.0,,,0.0,,,0.0,0.0,0.0,,,,,
COc1cccc(-c2nc(CS(=O)CC(=O)O)c(C)o2)c1,CID5309433,,0.0,,,,,,,,,,,0.0,,,,
COCCCNC(=O)CS(=O)(=O)Cc1nc(-c2cccc(OC)c2)oc1C,CID3239528,,0.0,,,0.0,,,,,,,,,,,0.0,
COCCNc1oc(-c2ccccc2Cl)nc1C#N,CID1830370,0.0,0.0,,,,,0.0,,,,,,,,0.0,0.0,0.0
Cc1oc(-c2ccccc2)nc1CC(=O)O,CID2775139,,,,,,,,,0.0,0.0,,,,,,,
CCCNC(=O)CS(=O)Cc1nc(-c2cccc(OC)c2)oc1C,CID5307301,,,,,,,,,,,,,,,,0.0,0.0
COCCNc1oc(-c2ccc(C)cc2)nc1C#N,CID661337,,,,0.0,,,,,0.0,0.0,,,0.0,,,,
CCN(CC)CCCNc1oc(-c2ccc(OC)c(OC)c2)nc1C#N,CID664701,0.0,0.0,,,,,,,0.0,,,,,,,,
COCCCNC(=O)CS(=O)Cc1nc(-c2cccc(OC)c2)oc1C,CID3238698,,,0.0,,,,0.0,,,,,,,,,0.0,
CCOC(=O)CSCc1nc(-c2ccc(Cl)cc2)oc1C,CID5309086,,0.0,,,,,,,,,,,,,,,
COc1ccccc1-c1nc(C(F)(F)F)c(OC)o1,CID717856,,,,0.0,,,,,,,,,,,,,0.0
CCCCN(CC)CCCNC(=O)CS(=O)(=O)Cc1nc(-c2cccc(OC)c2)oc1C,CID3240512,,,0.0,,0.0,,,,0.0,,0.0,,,,,,
Cc1oc(-c2ccccc2Cl)nc1CSCC(=O)O,CID6624341,,,,,,,,,0.0,,,,,,,,
CCOC(=O)c1nc(-c2ccccc2)oc1N(C)C,CID2304939,0.0,,,0.0,,,0.0,,0.0,0.0,,,,0.0,0.0,,
COC(=O)c1nc(-c2ccccc2)oc1N(C)C,CID724063,,,,,,,,,0.0,0.0,,,,,,0.0,
COc1cccc(-c2nc(CS(=O)(=O)CC(=O)NCCCOC(C)C)c(C)o2)c1,CID3236024,0.0,0.0,,,,,,,0.0,,,,,,,0.0,
CC(C)CNc1oc(-c2ccc(F)cc2)nc1C#N,CID693688,,,,,,,,0.0,,,,0.0,,,,,
CCN(CC)CCCNc1oc(-c2cccc(Cl)c2)nc1C#N,CID663768,0.0,0.0,,,,,0.0,,,,,,,,,0.0,
COC(=O)c1nc(-c2ccc(C)cc2)oc1N(C)C,CID1548125,,,,,,,0.0,,0.0,,,,0.0,,,0.0,
Cc1oc(-c2ccccc2)nc1CS(=O)CC(=O)O,CID9551421,,,,,,0.0,,,,,,,,,,,
COCCNC(=O)CS(=O)Cc1nc(-c2ccc(OC)cc2)oc1C,CID5307690,,,,,,,,0.0,,,,,,,,0.0,
COc1ccc(-c2nc(C#N)c(NCCN(C)C)o2)cc1,CID892462,,0.0,0.0,0.0,,,0.0,,0.0,,,,0.0,0.0,0.0,0.0,
COCCCNC(=O)CS(=O)Cc1nc(-c2ccccc2C)oc1C,CID5308325,,,,,,0.0,0.0,,,,,,,,,0.0,
CCOC(=O)N1CCN(S(=O)(=O)c2cc(OCC(N)=O)c(C)cc2Cl)CC1,CID1289010,,,,0.0,,,,,0.0,,,,,,,,
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1,CID756574,,,,0.0,,,,,,,,,,,,,
CCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,CID719621,,0.0,,,0.0,,,,,,,,,,,,
CC(C)c1cc(C(C)C)c(S(=O)(=O)N2CCNCC2)c(C(C)C)c1,CID1108305,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)c(C)c1C,CID2237819,,,0.0,0.0,,,0.0,,,,,,,,,,
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(OCC(=O)OC)c(C)c2)CC1,CID1092930,,,0.0,,,,0.0,0.0,,0.0,,,,,,0.0,0.0
CCOC(=O)c1ccc(S(=O)(=O)N2CCN(CCC#N)CC2)cc1,CID4122067,,0.0,,0.0,,,0.0,,,,,,,,,,
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(CCC#N)CC2)cc1,CID4122065,,,,,,,,,,,,,0.0,,,0.0,
CC(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1,CID717160,,,,,,,,,,,,0.0,,,,,
COc1ccc(C(C)C)cc1S(=O)(=O)N1CCN(C)CC1,CID650490,,,,,0.0,,,,,,0.0,,,,,,
CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(CCC#N)CC2)cc1,CID4117906,,,0.0,,0.0,,,,,,,,0.0,,,,
CCN1CCN(S(=O)(=O)c2cc(OC)c(Cl)cc2OC)CC1,CID971197,,,,,,,,,,0.0,,,,,,,
CCCC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1,CID3245715,0.0,,0.0,,,,,,,,,,,,,,
COc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCN(C)CC1,CID934666,0.0,,,0.0,,,,,,,,,,,,,0.0
CCN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1,CID2952407,,,,,,,,,,,,0.0,,,,,
COC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,CID1245368,,,,,,,,0.0,,,,0.0,,,,,
COc1ccc(Cl)cc1S(=O)(=O)N1CCN(CC(=O)C(C)(C)C)CC1,CID3242933,,,,,0.0,,,,,,,,,,,,
COc1ccc(OC)c(S(=O)(=O)N2CCN(C)CC2)c1,CID794496,,0.0,0.0,,,,,,,0.0,,,,,,,
CCCN1CCN(S(=O)(=O)c2ccc(OC)c(Br)c2)CC1,CID2454487,,,,,,,,,0.0,,0.0,,,,,,
CC(C)(C)C(=O)CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,CID3238483,,,,0.0,,,,,,0.0,,,,,,,0.0
CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1,CID2842418,,,,,,,,,,,,0.0,,,,,
COc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl,CID644637,0.0,,,0.0,,,,,,,,,,,,,0.0
COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C)CC1,CID760787,0.0,0.0,0.0,0.0,,,,,,,,,,,,,0.0
CCN1CCN(S(=O)(=O)c2cc(C)c(OC)cc2C)CC1,CID701306,,,0.0,,,,,0.0,0.0,,,,,0.0,,,
CC(C)(C)c1ccc(S(=O)(=O)N2CCN(CCC#N)CC2)cc1,CID4122071,,,,,,,,0.0,,,,,,,,,
CCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1,CID2225304,0.0,0.0,,0.0,,,,,0.0,,,,,,,,
CCOC(=O)COc1ccc(S(=O)(=O)N2CCN(C(=O)OCC)CC2)cc1,CID1082946,,,0.0,,,,,,,0.0,,,0.0,,,0.0,
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2C)CC1,CID757184,,,0.0,,,,,,,,,0.0,0.0,,,0.0,
COC(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1,CID701750,,,,0.0,,,,,,,,0.0,0.0,,,0.0,
CCOC(=O)N1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1,CID645243,,,0.0,0.0,,0.0,,0.0,,0.0,,0.0,,0.0,,0.0,0.0
Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cc1,CID976855,,,0.0,,0.0,,0.0,,,0.0,0.0,,0.0,,,,
CCOC(=O)N1CCN(S(=O)(=O)c2cc(Cl)c(OC)cc2Cl)CC1,CID1260943,,,,,,,,,,,,,,,0.0,,
CCN1CCN(S(=O)(=O)c2ccc(OC)c(Br)c2)CC1,CID1295697,0.0,,,,,,,,0.0,,,,,0.0,0.0,,
CCOC(=O)N1CCN(S(=O)(=O)c2cc(OCC)ccc2OCC)CC1,CID1260938,,,,,,,,,,0.0,,,,,,0.0,
CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1,CID3126365,,,,,,,,,,,,,,,0.0,,
COc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCN(C)CC1,CID646491,0.0,,0.0,,0.0,,0.0,0.0,,,,,,,,,
CCCOc1cc(C)c(S(=O)(=O)N2CCN(C)CC2)cc1C,CID2223170,0.0,,0.0,0.0,0.0,,0.0,,,,,,,,,,0.0
CCOC(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CC)CC2)cc1,CID655523,,,,,0.0,0.0,0.0,,,,,,,,,,
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC(C)(C)C)CC2)cc1,CID2106955,,,,,,,,,,,,,,0.0,,,
COc1cc(S(=O)(=O)N2CCN(C)CC2)c(OC)cc1Br,CID660834,,,,,,,,,0.0,,,,,,,0.0,0.0
CN1CCN(S(=O)(=O)c2ccc(NC(=S)NC(=O)C(C)(C)C)cc2)CC1,CID2234059,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-],CID2842724,,,,,,,,,,,,0.0,,,,,
CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCN(C)CC1,CID934731,0.0,,,0.0,,,,0.0,,,,,,,,,
CCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1,CID2545623,,,,0.0,,,,,0.0,0.0,,,,0.0,,0.0,
CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(CCC#N)CC2)cc1,CID4122234,,,,,0.0,,,,,,,,,,,,
Cc1ccc(S(=O)(=O)N2CCN(C(=O)N(C)C)CC2)cc1C,CID969555,,,0.0,,,,,,0.0,,,,,,,,
Cc1ccc(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)cc1,CID856931,,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1ccc(S(=O)(=O)N2CCNCC2)cc1,CID2367439,,,,,,,,,,0.0,,,,,,,
COc1cc(C)c(S(=O)(=O)N2CCN(C)CC2)cc1C,CID801474,,,,,0.0,,0.0,0.0,,,,,,,,,
O=CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)CC1,CID2473441,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccc(S(=O)(=O)N2CCN(C)CC2)c(C)c1,CID775782,,,,,,,,,,0.0,,0.0,,,,,
CCOc1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1Cl,CID1652551,0.0,,0.0,,,,,,,0.0,,,,,,,0.0
Cc1cc(C)c(S(=O)(=O)N2CCN(CCO)CC2)c(C)c1,CID799299,,0.0,,0.0,0.0,,,,0.0,,,,,,,,
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)CC1,CID1254764,0.0,,,,,,,,,,,,0.0,,0.0,,
CCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1,CID1340610,,,,,,,,,,,,,,,0.0,,
CCOC(=O)N1CCN(S(=O)(=O)c2cc(C)c(C)cc2C)CC1,CID712593,,0.0,,0.0,,,,,,,,,,,,0.0,
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(OCC(=O)OC)cc2)CC1,CID1082993,,,,0.0,,,,0.0,,0.0,,,0.0,,,0.0,
CCN1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1,CID971615,,,0.0,,,,,,,,,,,,,,
CCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,CID1151433,,,,,0.0,,,,,,,,,,,,
CC(C)OC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1,CID3242916,,,,0.0,,,,,,,,,,,,,
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(OCC)c(C)c2)CC1,CID1257206,,,,,,,,,,,,,,,,0.0,
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1,CID3136290,,,,,,,,,,,,,,0.0,,,
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,CID655915,,,,,,,,,,,,0.0,,,,,
O=C(O)CSCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1,CID2458793,,,,,,,,,,,,,,0.0,,,
COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C,CID847009,,,,0.0,0.0,0.0,0.0,0.0,,,,,,,,,
CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1,CID655863,,,,,0.0,,0.0,,,0.0,0.0,,0.0,,,,
COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1Br,CID807886,0.0,,,,,,,,0.0,,0.0,,,,,0.0,0.0
CC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(CCC#N)CC2)cc1,CID4122232,,,,,0.0,,,,,,,,,,,0.0,
Cc1cc(C)c(S(=O)(=O)N2CCN(C)CC2)c(C)c1,CID567240,,,,,0.0,,0.0,0.0,,,,,0.0,,,,0.0
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1,CID764494,,,,,,,,,0.0,,,,,,,,
CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NC(C)(C)C)c2)CC1,CID5110221,,,,,,,,,,,,,,,0.0,,
Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N(C)C)CC2)c(C)c1,CID2197124,,,,,,,,,,0.0,0.0,,,,,,
CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)CC1,CID2236672,,,,,,,,,0.0,,0.0,,,0.0,,,
CCN(CC)C(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1,CID2147526,,,,0.0,,,0.0,0.0,,,,,,,,,
CC(C)CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,CID646142,,,,,,,,0.0,,,,0.0,,,,,
CCc1c(C)nc2ncnn2c1Nc1ccc(C#N)c(Cl)c1,CID647136,0.0,,,,,,,,,,,,,,,0.0,
COc1ccc(Nc2cc(C)nc3nc(C)nn23)cc1Cl,CID5308644,,0.0,,,,,,,,,,,,,,0.0,
Cc1cc(Nc2cc(C(=O)O)ccc2C)n2ncnc2n1,CID1839776,,0.0,,0.0,,0.0,0.0,,,,,,0.0,,,,
CCCc1cc(Nc2ccccc2OCC)n2ncnc2n1,CID1430122,,,,,,0.0,,,,0.0,,0.0,,,,,
COc1cccc(Nc2cc(C)nc3nc(C)nn23)c1,CID5308802,,0.0,,,,0.0,0.0,,,,,,,,,,
CCOC(=O)c1ccccc1Nc1cc(C)nc2nc(C)nn12,CID5308692,,0.0,,,,,0.0,,,,,,,,,,
Cc1cc(Nc2ccc(C)c(F)c2)n2ncnc2n1,CID653193,,0.0,,0.0,,,,,,,,0.0,,,,,
Cc1cc(Nc2cccc(O)c2)n2ncnc2n1,CID743052,,,,,,0.0,,,,,,,,,,,
Cc1ccc(Nc2cc(C)nc3nc(C)nn23)c(C)c1,CID5308972,,,,,,,0.0,,,,,,,,,,
Cc1cc(Nc2ccc(F)c(Cl)c2)n2nc(C)nc2n1,CID5309636,0.0,0.0,0.0,,,,,,,,,,,,,,
Cc1cccc(N(C)c2cc(C)nc3nc(C)nn23)c1,CID5309630,,,0.0,,,,,,0.0,,0.0,,,,,,
Cc1cc(Nc2ccc(F)c(Cl)c2)n2ncnc2n1,CID5308580,0.0,0.0,,,,,,,,,,,0.0,,,,
Cc1cc(Nc2cccc(C(F)(F)F)c2)n2nc(C)nc2n1,CID3235793,0.0,0.0,,,0.0,,0.0,,,,,,,,,,
COc1ccc(C)cc1Nc1cc(C)nc2ncnn12,CID5307806,,0.0,,0.0,,,,0.0,,,,,,,,,0.0
Cc1cc(Nc2ccc(Br)cc2)n2nc(C)nc2n1,CID5307801,0.0,,,,,,,,,,,,,,,0.0,0.0
Cc1cc(Nc2cccc(Cl)c2C)n2ncnc2n1,CID5309830,0.0,,,,,,,,,,,,0.0,,,0.0,
Cc1cc(Nc2ccccc2F)n2ncnc2n1,CID5307386,,0.0,,,,,,0.0,,,,,,,,,
COc1ccc(OC)c(Nc2cc(C)nc3nc(C)nn23)c1,CID5308295,,0.0,,,,,,,,,,,,,,0.0,
CCCOC(=O)c1ccc(Nc2cc(C)nc3ncnn23)cc1,CID661142,,0.0,,0.0,,0.0,0.0,0.0,,,,0.0,,,,,
COc1cc(Nc2cc(C)nc3ncnn23)cc(OC)c1OC,CID2038683,,,0.0,,,,,,,,,,,,,,
Cc1cc(Nc2cccc(F)c2)n2nc(C)nc2n1,CID5307602,,,,0.0,,,0.0,,,,,,,,,,
Cc1cc(Nc2ccc(C(=O)O)cc2)n2nc(C)nc2n1,CID5309369,,,0.0,,,,,,,,,,,,,,
Cc1cc(Nc2ccc(Br)cc2F)n2ncnc2n1,CID5309364,0.0,,,,,,,,,,,,,,,0.0,
CCN(c1ccccc1)c1cc(C)nc2ncnn12,CID5309692,,0.0,,,,,0.0,,,,,,,,,,
Cc1cc(Nc2ccc(F)cc2F)n2ncnc2n1,CID1830493,,0.0,,0.0,,,,,,,,,,,0.0,,
Cc1cc(Nc2cccc(Cl)c2)n2ncnc2n1,CID517858,0.0,0.0,0.0,,,,0.0,,,,,,0.0,,,0.0,
COC(=O)c1ccccc1Nc1cc(C)nc2nc(C)nn12,CID5308141,,0.0,0.0,,,,,0.0,,,,,,,,,
Cc1cc(Nc2ccc(C(C)C)cc2)n2ncnc2n1,CID5308416,,0.0,,,,,0.0,,,,,,,,,,
CCN(c1ccccc1)c1cc(C)nc2nc(C)nn12,CID5309179,,0.0,,,,,,,,0.0,,,,,,,
Cc1cc(Nc2ccccc2Br)n2nc(C)nc2n1,CID5307789,0.0,,,,,,,,,,,,,,0.0,0.0,
Cc1cc(Nc2ccc(F)cc2Cl)n2nc(C)nc2n1,CID5309475,0.0,,,0.0,,,,,,,,,,,,,
Cc1ccc(Nc2cc(C)nc3nc(C)nn23)cc1,CID5307107,,0.0,0.0,,,,,0.0,,,,,0.0,,,,
Cc1cc(Nc2ccc(Br)c(C)c2)n2nc(C)nc2n1,CID5307102,0.0,,,,,,,,,,,,,,,,
CCc1nc2nc(C)cc(Nc3cccc(C(F)(F)F)c3)n2n1,CID3239983,,,,,0.0,,,,,,,,,,,,
CCOc1ccc(Nc2cc(C)nc3nc(C)nn23)cc1,CID5308128,,0.0,,,,,,,0.0,,,,,,,,
CCc1cccc(Nc2cc(C)nc3nc(C)nn23)c1,CID5307610,,0.0,0.0,,,,0.0,,,,,,0.0,,,,
Cc1cc(Nc2ccc(F)cc2C)n2nc(C)nc2n1,CID5309322,,,,0.0,,,,0.0,,,,,0.0,,,,
CCOc1ccccc1Nc1cc(C)nc2nc(C)nn12,CID5309013,,0.0,,,,,,0.0,,,,,,,,,
Cc1cc(Nc2c(C)cccc2C)n2nc(C)nc2n1,CID5309011,,0.0,,,,,,,,,,,,,,,
Cc1cccc(N(C)c2cc(C)nc3ncnn23)c1,CID5309018,,,,,,,,,,,0.0,,0.0,,,,
COc1cc(OC)c(Nc2cc(C)nc3nc(C)nn23)cc1Cl,CID5307937,0.0,,,,,,,,,,0.0,,,,,0.0,
COc1ccc(Cl)cc1Nc1cc(C)nc2nc(C)nn12,CID5308151,0.0,0.0,,,,,,,,,,,,,,0.0,
Cc1cc(Nc2ccc(F)cc2F)n2nc(C)nc2n1,CID5307958,0.0,,,,,,,,,,,,,,,,
COC(=O)c1ccc(Nc2cc(C)nc3nc(C)nn23)cc1,CID5308299,,0.0,,,,,,,,,,,0.0,,,,
CCN(CC)S(=O)(=O)c1ccc(Nc2cc(C)nc3ncnn23)cc1,CID646483,,0.0,,,0.0,,,,,,,,0.0,,,,
Cc1cc(Nc2ccc(C)c(Br)c2)n2nc(C)nc2n1,CID5307471,0.0,,,,,,,,,,,,,,,,
Cc1cc(Nc2cccc(C)c2C)n2nc(C)nc2n1,CID5308316,,,,,,,,0.0,,0.0,,,0.0,,,,
CCCc1cc(Nc2cccc(OCC)c2)n2ncnc2n1,CID656168,,0.0,,0.0,,0.0,0.0,,,,,,,,,,0.0
Cc1cc(Nc2ccc(F)cc2C)n2ncnc2n1,CID5308134,,0.0,,,,,,,,,,,,,,,
COc1cc(Nc2cc(C)nc3ncnn23)cc(OC)c1,CID1941457,,0.0,0.0,0.0,,,,,0.0,,,,,,,,
CCCc1cc(Nc2cccc(OC)c2)n2ncnc2n1,CID650229,,0.0,0.0,0.0,,,,,,,,0.0,,,,,
CCc1ccc(Nc2cc(C)nc3nc(C)nn23)cc1,CID5308471,,0.0,,,,,,0.0,,,,,0.0,,,,
Cc1cc(Nc2ccc(F)cc2)n2nc(C)nc2n1,CID5308476,,0.0,,,,,,,,,,,0.0,,,,
Cc1cc(Nc2cccc(F)c2)n2ncnc2n1,CID1086759,,0.0,,0.0,,,,,,,,,,,,,
CCOC(=O)c1ccc(Nc2c(CC)c(C)nc3ncnn23)cc1,CID647037,,0.0,,,,,0.0,,,,,,0.0,0.0,,,
CCOc1ccc(OCC)c(Nc2cc(C)nc3ncnn23)c1,CID5308288,,0.0,,,,,,,,,,,,,,,
COc1ccc(Nc2cc(C)nc3nc(C)nn23)c(OC)c1,CID5309795,,0.0,,,,,,0.0,,,,,,,,,
Cc1cc(Nc2ccc(Br)cc2F)n2nc(C)nc2n1,CID5309792,0.0,,,,,,,,,,,,,,,,
CCc1cccc(Nc2cc(C)nc3ncnn23)c1,CID5309554,,0.0,,,,,,,,,,,0.0,,,,
CCOC(=O)c1ccc(Nc2cc(C)nc3ncnn23)cc1,CID661115,,,,,,,0.0,,,,,0.0,,,,,
CCOC(=O)c1ccc(Nc2cc(C)nc3nc(C)nn23)cc1,CID5308496,,0.0,,,,,,0.0,,,,,,,,0.0,
CC(=O)c1ccc(Nc2cc(C)nc3nc(C)nn23)cc1,CID5308658,,0.0,,,,,,,,,,,,,,,
Cc1cc(Nc2cccc(C)c2C)n2ncnc2n1,CID3155094,,,0.0,,,,,0.0,,,,,0.0,,,,
CCc1c(C)nc2ncnn2c1Nc1ccc(C(C)=O)cc1,CID1430151,,,,,,,,,,,,0.0,,0.0,,,
COC(=O)c1ccc(Nc2cc(C)nc3ncnn23)cc1,CID654302,,,,0.0,,,0.0,,,,0.0,0.0,0.0,0.0,0.0,,
Cc1cc(C)cc(Nc2cc(C)nc3nc(C)nn23)c1,CID5308815,,,0.0,,,0.0,,,,,,,,,,,
COc1ccc(C)cc1Nc1cc(C)nc2nc(C)nn12,CID5307598,,,,,,,0.0,,,,,,0.0,,,,
Cc1cc(Nc2ccc(F)cc2Cl)n2ncnc2n1,CID5308467,0.0,0.0,,,,,,,,,,,,,0.0,,
COc1ccc(Nc2cc(C)nc3ncnn23)c(OC)c1,CID1854652,,0.0,,,,,0.0,,0.0,,,,,,,0.0,
COC(=O)c1cc(Nc2cc(C)nc3ncnn23)cc(C(=O)OC)c1,CID5308000,,,,,,,,0.0,,,,,0.0,,0.0,,
Cc1cc(Nc2cc(F)ccc2C)n2ncnc2n1,CID5308636,,0.0,,,,,,0.0,,,,,,,,,
COc1ccc(C(=O)O)cc1Nc1cc(C)nc2ncnn12,CID1967887,,,,0.0,,,,0.0,,,,,,,,,
Cc1ccc(Nc2cc(C)nc3ncnn23)c(Cl)c1,CID5308058,0.0,,,,,,,,,,,,0.0,,,,
COc1cc(Nc2cc(C)nc3nc(C)nn23)cc(OC)c1OC,CID5307761,,0.0,,,,,,,,,,,,,,,
CCOCC(=O)Nc1c(C(=O)OCC)oc2ccccc12,CID3240394,,,0.0,,,,0.0,0.0,,,,0.0,,,,,
COc1ccc2oc(C)c(C(N)=O)c2c1,CID648338,,,,0.0,0.0,,,0.0,,,,,,,,0.0,
C=C(C)COc1ccc2oc(C)c(C(=O)OCCOC)c2c1,CID1583840,,,,,,,,0.0,0.0,,,,,0.0,,,
CC(=O)CCc1ccc2oc(C(=O)O)c(C)c2c1,CID2388824,,,,,,,,,0.0,,,,,,,0.0,
COCCOC(=O)c1c(C)oc2cc(Br)c(OCC(N)=O)cc12,CID1599526,,,,,,,,,,,,,,0.0,,,
CCN(CC)CCNC(=O)c1c(C)oc2cc(Br)c(OC)cc12,CID559644,0.0,,,,,,,,,,,,,,,0.0,0.0
Nc1c(C(=O)CCC(=O)O)oc2ccc(Cl)cc12,CID606732,,0.0,,,,,,,,0.0,,,,,,,0.0
CCOC(=O)Oc1ccc2oc(C)c(C(=O)OCCOC)c2c1,CID663248,,,,,,0.0,,0.0,,,,,,,,,
COCc1ccc2oc(C(=O)O)cc2c1,CID3239885,,,,,,0.0,,0.0,0.0,,,,,,,,
CCN(CC)C(=O)COc1ccc2oc(C)c(C(=O)OC)c2c1,CID2891834,,,,,,,0.0,,,,,,,,,0.0,
C/C(N)=C(/C#N)C(=O)COC(=O)Cc1coc2cc(C)ccc12,CID6223630,,,,,,,,,,,,,,,0.0,,
CCOC(=O)COc1cc2c(C(=O)OCC)c(C)oc2cc1Br,CID979383,0.0,,,,,,,,,,,0.0,,,,,
C/C(=C/c1oc2ccc(O)cc2c1[N+](=O)[O-])N(C)C,CID900023,,,,,,,,,,,,0.0,,,,,
Cc1oc2ccc(OC(=O)N(C)C)cc2c1C(=O)OC(C)C,CID667353,,,,,,,,,,,,,0.0,,0.0,0.0,
COC(=O)COc1ccc2occ(C(C)=O)c2c1,CID619081,,,0.0,,,,,0.0,0.0,,,,,0.0,,0.0,0.0
C=C(C)COc1ccc2oc(C)c(C(=O)OC)c2c1,CID702015,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1c(C)oc2ccc(OCC(N)=O)cc12,CID651493,,,,,0.0,,,,,,,0.0,,,,,
CCOC(=O)c1c(CN(CC)CC)oc2ccc(OC)cc12,CID623914,,,,,,,,,,,,,,0.0,,,
COCCOC(=O)c1c(C)oc2ccc(OC(=O)N(C)C)cc12,CID666664,,,,,,0.0,,0.0,,,,,,,,,
COC(=O)c1oc2ccc(Br)cc2c1NC(C)=O,CID712208,0.0,,,,,,,,,,,,,,,,0.0
CCOC(=O)c1c(CN(CC)CC)oc2cc(Br)c(O)cc12,CID1267915,0.0,,,,,,0.0,,,,,0.0,,,,,
CCNC(=S)N/N=C(\C)c1cc2ccccc2o1,CID4012977,,,,,,,,,,,,,,,0.0,,
Cc1ccc2c(CC(=O)O)coc2c1C,CID2113901,,,,,,,,,0.0,,0.0,,,,,0.0,
CCOC(=O)c1oc2ccc(CNCCO)c(Cl)c2c1C,CID655658,0.0,0.0,,,,,,,,,,,,,,,
CC(=O)c1cc2cc(O)ccc2o1,CID3237877,,,,,,,,0.0,,,,,,,,,
COc1ccc2c(C)c(C(=O)O)oc2c1,CID609890,,,,,,,,,0.0,,,,,0.0,,,
CCOC(=O)c1c(C)oc2cc(Br)c(OCC(N)=O)cc12,CID979445,,,,,,,,,,,,0.0,,,,,
CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)O)c(C)c2c1,CID3240289,,0.0,0.0,,,,,0.0,0.0,,,,,,,0.0,
CCN(CC)C(=O)COc1ccc2oc(C)c(C(=O)OC(C)C)c2c1,CID741795,,,,,,,,0.0,,,,,,,,,
COc1ccc2oc(C)c(C(=O)NN)c2c1,CID847295,,,,,,,,,,,,0.0,,,,,
COC(=O)c1oc2ccc(OC)cc2c1N,CID645695,,,,,0.0,,0.0,0.0,,,,,,,,0.0,
Cc1oc2ccc(OCC(N)=O)cc2c1C(=O)OC(C)C,CID830058,,,,,0.0,,,,,,,,,,,,
Cc1oc2ccc(O)c(CN(C)C)c2c1C(C)O,CID5347040,,,,,,0.0,,,,,,,,,,,
Cc1cc2occ(CC(=O)O)c2cc1C,CID2113967,,,,,,,,,0.0,,0.0,,,,,,
Cc1cc(C)c2c(CC(=O)O)coc2c1,CID752905,,,,,,,,0.0,,,0.0,,0.0,,,0.0,
CC(=O)Nc1c(C(=O)O)oc2ccc(Cl)cc12,CID646952,,,0.0,0.0,,,,,,0.0,,,0.0,0.0,,,
CCOC(=O)COc1ccc2oc(C)c(C(=O)OC)c2c1,CID854552,,,,,,0.0,,,,,,,,,,,
CC(C)(C)NC(=O)c1cc2ccccc2o1,CID737735,,,,,,0.0,,,,,,,,,,,
CCOc1ccc2c(C)c(C(=O)O)oc2c1OCC,CID744760,,,,,,,,,0.0,,,,,,,,
CC(NC(=O)c1cc2ccccc2o1)C(=O)O,CID3243589,,,,,,0.0,,,,0.0,,,,,,0.0,
C/C(=N\OCC(=O)NCC(F)(F)F)c1cc2ccccc2o1,CID5199583,,,,,,,,,,,,,,0.0,,,
COc1cc(C)c2occ(/C(C)=N/O)c2c1,CID794997,,,,,,0.0,,,,,,,,,,0.0,
COC(=O)c1c(C)oc2ccc(OC(C)=O)cc12,CID360975,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1c(C(C)(C)C)oc2ccc(OCC#N)cc12,CID1934156,,,,,,,,,,0.0,,,,,,0.0,
COC(=O)CCC(=O)c1oc2ccccc2c1N,CID649591,,,,,0.0,,,,,,,,,,0.0,0.0,
CCOCc1c(C(=O)OCC(=O)/C(C#N)=C(\C)N)oc2ccccc12,CID6510999,,,,,,,,,,,,,,0.0,,,
CC(=O)Nc1coc2ccc(Br)cc12,CID661330,0.0,,,,,,,,,,,,,,,,0.0
CCOC(=O)CCC(=O)c1c(C)oc2ccc(OC)cc12,CID3124075,,,,,,,,,0.0,,,,,,,0.0,
N#CCCSCc1ccc2oc(C(=O)O)cc2c1,CID1916559,,,,,,,0.0,,0.0,,,,0.0,,,,
CC(=O)Oc1ccc2oc(/C=C/N(C)C)c([N+](=O)[O-])c2c1,CID937405,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1c(C)oc2ccc(OCC(=O)C(C)(C)C)cc12,CID660303,,,,,,,,0.0,,,,,,0.0,,,
Cc1ccc2c(CC(=O)O)coc2c1,CID877801,,,0.0,,,,,,0.0,,,,,,,0.0,
COc1ccc2occ(NC(C)=O)c2c1,CID655447,,,,,,,,,,,,,,,,0.0,
CCOC(=O)c1c(C)oc2ccc(OCC(=O)N(CC)CC)cc12,CID658337,,,,,,,,,,,,,,,,,0.0
O=C(O)c1coc2ccccc12,CID595655,,,,,,0.0,,0.0,,,,,0.0,,,,
CNC(=O)c1cc2ccccc2o1,CID660372,,0.0,,,,,,,,,,,0.0,,,,
CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)NC(C)C)c(C)c2c1,CID3240780,,0.0,,,,,,,,,,,0.0,,,,
CCOC(=O)c1oc2cccc(OC(C)=O)c2c1C,CID790878,,,,,,,,0.0,,,,,,0.0,,0.0,
COC(=O)CCC(=O)c1oc2ccc(Br)cc2c1N,CID660246,0.0,,,,,,,,,,,0.0,,,0.0,0.0,0.0
CC(=O)c1cc2c(O)c(O)ccc2o1,CID3245320,,,,,0.0,,0.0,,,,,,,,,,
COc1ccc2oc(C(=O)CCC(=O)O)c(N)c2c1,CID1505270,,,0.0,,0.0,0.0,,,,,,,0.0,,,,
COCCOC(=O)c1c(C)oc2ccc(OCC=C(C)C)cc12,CID1761867,,,0.0,,,,0.0,0.0,,,,,0.0,,,,
CCOC(=O)c1c(C)oc2cc(Br)c(OC)cc12,CID698979,0.0,,,,,,0.0,,,,,,,,,,0.0
CCOC(=O)c1c(C)oc2ccc(O)c(CN(C)C)c12,CID651276,,,,0.0,0.0,,,,,,,,0.0,,,,
COCCOC(=O)c1c(C)oc2ccc(O)cc12,CID1859346,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1oc2ccccc2c1NC(=O)COC,CID3243858,,,,0.0,,,,0.0,0.0,,,,,,,,
COc1ccc2c(C)c(C(=O)NCC(C)O)oc2c1OC,CID2827535,,,,,0.0,,,,,,,,0.0,0.0,,,
CC(=O)Nc1c(C(=O)O)oc2ccccc12,CID652278,,,,0.0,,,,,,,,,,,,0.0,0.0
NC(=O)c1oc2ccc(Cl)cc2c1N,CID610852,,,,,,,0.0,,,0.0,,,,,,,
COC(=O)c1oc2ccc(Cl)cc2c1NC(C)=O,CID798823,,,,0.0,,,,,,0.0,,,,,,,
CC(=O)c1oc2ccccc2c1N,CID654095,,,,0.0,,,0.0,,,,,,0.0,,,,
C=CCNC(=O)c1oc2ccc(S(=O)(=O)N(CC)CC)cc2c1C,CID3242973,,0.0,,0.0,,0.0,,,,,,,,,,,
CCOC(=O)c1oc2ccc(/C=N/O)c(Cl)c2c1C,CID768506,,,,,,,,,,,,,,0.0,,,
CCOc1ccccc1C(=O)Nc1nnc(C(C)C)s1,CID5181819,0.0,0.0,,,,,,0.0,,,,,,,,0.0,
O=C(Nc1nncs1)c1ccccc1Br,CID721373,,,,,,,,,,,,,,,,0.0,0.0
CCOC(=O)Cc1nnc(NC(=O)c2ccccc2OCC)s1,CID2164999,,,,,,,,,,,,,,,,,0.0
CCSc1nnc(NC(=O)c2ccccc2C)s1,CID803498,,,,,,,,,,,,,,,0.0,,
COCc1nnc(NC(=O)c2cc(Cl)ccc2OC)s1,CID750669,0.0,0.0,,0.0,,,,,,0.0,,,0.0,,0.0,,
CCOCCc1nnc(NC(=O)c2ccc(OC)c(OC)c2)s1,CID665842,,0.0,,,,,,0.0,0.0,,0.0,,,0.0,,,0.0
CC(C)C(=O)Nc1cccc(C(=O)Nc2nnc(C(C)C)s2)c1,CID1080674,,,,,,,,,0.0,,,,,,,,
CC(=O)Oc1ccc(C(=O)Nc2nnc(C)s2)cc1,CID787304,,0.0,,0.0,,0.0,,0.0,,0.0,,0.0,,,,,
CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nncs2)c1,CID649199,,,,,,,,,0.0,,,,0.0,,,,
Cc1nnc(NC(=O)c2cccc(F)c2)s1,CID869356,,,0.0,,,,,,,,,,,,,0.0,
CCc1nnc(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])s1,CID2212310,,,,,,,,,,,,,,0.0,,,
CCOc1ccccc1C(=O)Nc1nnc(COC)s1,CID750667,,,,,,,,,0.0,0.0,,0.0,,,,,
CC(C)C(=O)Nc1cccc(C(=O)Nc2nnc(C(C)(C)C)s2)c1,CID891134,,,,,,0.0,,,,,,,,,,,
CCc1nnc(NC(=O)c2ccc(OC)cc2OC)s1,CID869015,0.0,0.0,,0.0,,,0.0,0.0,,,,0.0,,,,,
CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nnc(C)s2)c1,CID1117934,,,,,,,0.0,,,,,,,,,,
CCc1nnc(NC(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Cl)s1,CID1117935,,,,,,,,,0.0,,,,,,,,
COc1cccc(OC)c1C(=O)Nc1nnc(C(C)C)s1,CID698933,,0.0,,,0.0,,,,0.0,,,0.0,,,,0.0,0.0
CCOCCc1nnc(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])s1,CID2229382,,,,,,,,,,,,,,,0.0,,
CCCc1nnc(NC(=O)c2cc(OC)cc(OC)c2)s1,CID651003,,,,,0.0,,0.0,,,0.0,0.0,,0.0,,,0.0,0.0
CC(C)(C)NC(=O)CSc1nnc(NC(=O)c2ccccc2Cl)s1,CID3154020,,,,,,,,,,,,,,0.0,,,
COCCSc1ccccc1C(=O)Nc1nnc(COC)s1,CID655115,0.0,0.0,0.0,0.0,0.0,,0.0,,,0.0,0.0,,,,,,
Cc1ccccc1C(=O)Nc1nncs1,CID1147600,,,,,,,,,,,0.0,,,,,,
Cc1nnc(NC(=O)c2ccc(Br)cc2)s1,CID745385,,,,,,,,,,,,,,0.0,,,
CCc1nnc(NC(=O)c2cccc(NC(=O)C(C)C)c2)s1,CID978132,,,,,,,,,0.0,0.0,0.0,,,,,,
COc1cc(C(=O)Nc2nnc(C(C)(C)C)s2)c([N+](=O)[O-])cc1OC,CID1320084,,,,,,,,,,,,,,,0.0,,
CC(C)C(=O)Nc1cccc(C(=O)Nc2nncs2)c1,CID654818,,,,0.0,,,0.0,0.0,0.0,0.0,0.0,0.0,,,,,
CCCC(=O)Nc1ccc(C(=O)Nc2nnc(COCC)s2)cc1,CID1825763,,,,,,,,,0.0,0.0,0.0,,,,,,
CCc1nnc(NC(=O)c2cccc(OC)c2)s1,CID720004,,,,,,,,,,,,0.0,0.0,,,0.0,0.0
CC(C)Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1,CID684707,,,,,,0.0,,,,,,,,,0.0,,
Cc1ccc(C(=O)Nc2nnc(C)s2)cc1,CID676913,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)Nc2nncs2)c(OC)c1,CID821625,,0.0,0.0,0.0,,,,,,0.0,,,0.0,,,0.0,
CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2nncs2)c1,CID691868,,,,0.0,0.0,0.0,,,,,,,0.0,,,,0.0
Cc1nnc(NC(=O)c2ccccc2Br)s1,CID739348,,,,,,,0.0,,0.0,,0.0,,,0.0,,0.0,0.0
CCOCc1nnc(NC(=O)c2c(OC)cccc2OC)s1,CID1825756,,,,,,,,,0.0,,0.0,,,,,,
COCCSc1ccccc1C(=O)Nc1nnc(C)s1,CID2218468,0.0,,,,0.0,,0.0,,0.0,0.0,,,,0.0,,,
CCSc1nnc(NC(=O)c2ccccc2)s1,CID739607,,0.0,0.0,,0.0,,0.0,,,,,,,,0.0,,
Cc1nnc(NC(=O)c2ccccc2C(=O)O)s1,CID810149,,,,,,,,,,0.0,,0.0,,,,,
CCOc1ccccc1C(=O)Nc1nncs1,CID646611,,,,,,,,,,0.0,,,,,,,0.0
CCc1nnc(NC(=O)c2c(OC)cccc2OC)s1,CID746125,0.0,0.0,0.0,,,,0.0,0.0,,,,,,,,,0.0
CCSc1ccccc1C(=O)Nc1nncs1,CID970312,,,,,,,0.0,,0.0,0.0,,,,,,,
CCSc1nnc(NC(=O)c2ccc(C)cc2)s1,CID871615,,,,,,,,,0.0,,0.0,,,0.0,,,
CCOc1ccccc1C(=O)Nc1nnc(CC)s1,CID871221,,0.0,,0.0,0.0,,0.0,0.0,,0.0,,,0.0,,0.0,0.0,0.0
COCCSc1ccccc1C(=O)Nc1nncs1,CID654230,0.0,0.0,0.0,0.0,0.0,,0.0,,,0.0,0.0,,,0.0,0.0,,
CCCc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1,CID825353,,,,,,,,,,,,,,0.0,,,
Cc1nnc(NC(=O)c2ccccc2F)s1,CID838742,,0.0,,,,,,,,0.0,,,,,,0.0,
COC(=O)Cc1nnc(NC(=O)c2ccccc2)s1,CID665641,,,,0.0,,,,0.0,,0.0,,,0.0,,,0.0,0.0
CCc1nnc(NC(=O)c2ccc(S(=O)(=O)NCC(C)C)cc2)s1,CID645867,0.0,0.0,,0.0,0.0,,0.0,,,,,,,,0.0,0.0,
CCOC(=O)Cc1nnc(NC(=O)c2ccccc2OC)s1,CID665316,0.0,,,,,,0.0,,0.0,,0.0,,,,,0.0,0.0
CCOc1cc(C(=O)Nc2nnc(C)s2)cc(OCC)c1OCC,CID1009573,0.0,0.0,,,,,0.0,,,,,,0.0,,,0.0,
CCCc1nnc(NC(=O)c2cccc(OC)c2)s1,CID665956,0.0,0.0,,,0.0,,,0.0,,,,,0.0,,,0.0,0.0
CCOC(=O)Cc1nnc(NC(=O)c2cccc(OCC)c2)s1,CID665161,0.0,0.0,,,,,,0.0,0.0,,,,0.0,,,0.0,
CCCC(=O)Nc1ccc(C(=O)Nc2nnc(COC)s2)cc1,CID650381,,,,,,0.0,,0.0,0.0,,,,,,,,
COc1cc(C(=O)Nc2nnc(C)s2)cc(OC)c1OC,CID812637,0.0,,,,,,0.0,0.0,0.0,,,,,,,0.0,
COc1cccc(C(=O)Nc2nnc(C(C)C)s2)c1,CID648237,,0.0,,,0.0,,,,,0.0,0.0,,,,0.0,,0.0
CCc1nnc(NC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)s1,CID4544775,0.0,0.0,,,0.0,,,,,0.0,,,,,,0.0,
Cc1nnc(NC(=O)c2cccc(NC(=O)C(C)C)c2)s1,CID889019,,,,,,,,,0.0,,,,,,,,
CCCCC(=O)Nc1ccc(C(=O)Nc2nnc(COC)s2)cc1,CID2207252,,,,,,,,,0.0,,,,,,,,
CCc1nnc(NC(=O)c2ccc(S(=O)(=O)N(CCOC)CCOC)cc2)s1,CID5070084,,,,,0.0,,,,,,,,,,,0.0,
COc1ccc(C(=O)Nc2nnc(C(F)(F)F)s2)cc1,CID644396,0.0,,,,0.0,,,0.0,,0.0,,,,,,,0.0
COCc1nnc(NC(=O)c2ccc(NC(=O)C(C)C)cc2)s1,CID647218,,0.0,0.0,,,,,,,,,,,,,0.0,
Cc1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)s1,CID745411,,,,,,,,,,,,,,,0.0,,
CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C(C)C)s2)cc1,CID5110096,0.0,,,,,,,,,,0.0,,0.0,,,0.0,
CCOc1ccc(C(=O)Nc2nnc(C)s2)cc1OCC,CID884599,0.0,0.0,,0.0,0.0,,,0.0,,0.0,0.0,0.0,,,,,0.0
Cc1cc(C)cc(C(=O)Nc2nnc(C)s2)c1,CID745387,,,,,,0.0,,,,,,,,,,,
COc1cc(C(=O)Nc2nncs2)cc(OC)c1OC,CID2787311,0.0,,,0.0,,,,,0.0,0.0,,,,,,0.0,
Cc1nnc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)s1,CID2164196,,,,,,,,,,,,,,,,,0.0
CCOc1ccc(C(=O)Nc2nncs2)cc1OCC,CID645144,,,0.0,0.0,,,0.0,,,0.0,0.0,0.0,,,,,0.0
COCc1nnc(NC(=O)c2ccc(NC(C)=O)cc2)s1,CID897457,,,0.0,0.0,,,,,0.0,,,0.0,,,,0.0,
CCOCc1nnc(NC(=O)c2ccc(OC)cc2)s1,CID2201249,,,,,,,,,0.0,,,,,,,,
CCOCCc1nnc(NC(=O)c2cccc(F)c2)s1,CID665663,,,,,,0.0,,,,,,,,,,0.0,
Cc1nnc(NC(=O)c2cccc(Br)c2)s1,CID745384,,,,,,,,,0.0,,0.0,,,0.0,,,
CCOCCc1nnc(NC(=O)c2cc(OC)c(OC)c(OC)c2)s1,CID665378,,,,0.0,,,0.0,,0.0,,,,0.0,0.0,,0.0,0.0
CCOC(=O)CSC(C)C(=O)Nc1nnc(C(C)C)s1,CID4444351,0.0,,0.0,,,,,,,,,,,,,,
CCCCCc1nnc(NC(=O)OCCC)s1,CID2057402,,,,0.0,,,,,,,,,,,,,
CSc1nnc(N(CCC#N)CCC#N)s1,CID661509,,,,,,,0.0,,,,,,,,,,
CCCC(=O)Nc1nnc(CC(=O)OCC)s1,CID665107,,,,,,,,,,,,0.0,,,,,
COC(=O)CSC(C)C(=O)Nc1nnc(C(C)C)s1,CID16194578,,,,,,,,,,,,,,,0.0,,
O=C(O)CCC(=O)Nc1nnc(C(F)(F)F)s1,CID655396,,,,,,,0.0,,0.0,,,,,,,,
CCCCCOC(=O)Nc1nnc(CCCCC)s1,CID2207802,,,,,,,,,,0.0,,,,,,,
COCc1nnc(N)s1,CID660844,,,,0.0,,,,,,,,0.0,0.0,,,,
CCOC(=O)CSC(CC)C(=O)Nc1nnc(CC)s1,CID4068080,,,,0.0,,,,,,,0.0,,0.0,,,0.0,
COC(=O)CCC(=O)Nc1nnc(C(F)(F)F)s1,CID1274192,,,,,,,,,0.0,0.0,,,,,,,
O=C(O)CCCC(=O)Nc1nncs1,CID3142078,,,,,,,,,,,,,,,0.0,,
CCOC(=O)CC(=O)Nc1nnc(CC)s1,CID722761,,,,,,,,,,,,0.0,0.0,,,,
O=C(NCC(F)(F)F)Nc1nnc(C(F)(F)F)s1,CID662441,,,,,,,,,0.0,,,,,,,,
CCCC(C)C(=O)Nc1nnc(C)s1,CID2905047,0.0,,,0.0,,,,,,0.0,,,0.0,,,,
CNC(=O)Nc1nnc(C(C)(C)C)s1,CID179436,,,,,,,,,,,,0.0,,,,,
CCSc1nnc(N(CCC(=O)O)CCC(=O)O)s1,CID661409,,,,,0.0,,,,,0.0,,,,,,,
CC(=O)Nc1nnc(SCC(=O)NC(C)(C)C)s1,CID802824,,,0.0,,,0.0,,,,0.0,,,,,,,
CCSc1nnc(NC(=O)NCC(F)(F)F)s1,CID659729,,0.0,,,0.0,,,,,,,,,0.0,,,
CCCNC(=O)NC(=O)CSc1nncs1,CID2532190,,,,,,,,,,,,,,0.0,,,
COCCSc1nnc(NC(=O)C(C)(C)C)s1,CID3158288,,,,,,,,,,,0.0,,,,,,
CCOC(=O)CCSCC(=O)Nc1nnc(C)s1,CID3621451,,,,,,,,,,,,,0.0,,,,
CCCCC(CCC(=O)Nc1nncs1)(C(=O)OCC)C(=O)OCC,CID659502,,,0.0,0.0,,,0.0,,,,,0.0,0.0,,,,0.0
CCCCOC(=O)CSc1nnc(N)s1,CID2227544,,0.0,,,,,,,,0.0,,,,,,,
COC(=O)Cc1nnc(N)s1,CID648668,,,,0.0,,,0.0,,,,0.0,,0.0,,0.0,,
CCOCc1nnc(NC(=O)COC)s1,CID649071,,,,,,,,,,,,,,,0.0,,
CCOC(=O)Cc1nnc(NC(=O)CC)s1,CID664899,,,,0.0,,,,,,,,,,,,,
CNC(=O)N(C)c1nnc(C(C)(C)C)s1,CID5383,,0.0,,0.0,,,,,,0.0,,,,,0.0,,
CCSc1nnc(N)s1,CID101459,,,0.0,,,,,,,0.0,,,,,,0.0,
CC(C)c1nnc(NS(C)(=O)=O)s1,CID1531668,,,,,,,,,,,,,,0.0,,,
CCOC(=O)CC(=O)Nc1nnc(CC(C)C)s1,CID658501,,,0.0,,,,,,,,,,,,,,
CCSc1nnc(NC(=O)C(C)C)s1,CID836232,,,0.0,0.0,,,0.0,,,,,,,,,,
CCOCCc1nnc(NC(=O)COC)s1,CID2228346,,0.0,0.0,,,,,,,,,,,,,,
COCCSc1nnc(NC(=O)COC)s1,CID654541,,0.0,,0.0,,,,,,,,,0.0,,,,
C/C=C(\C)c1nnc(NC(=O)OCC)s1,CID976241,0.0,,,,,,,,,0.0,,,,,,,
Cc1nnc(NS(C)(=O)=O)s1,CID645242,,0.0,,0.0,,,,,,0.0,,,,,,,
C/C=C(\C)c1nnc(NC(=O)C(C)C)s1,CID976069,,,,0.0,,,,,,,,,,,,,
CCCC(=O)Nc1nnc(COC)s1,CID734077,,,,0.0,,,,,,,,,,,,,
CCOCc1nnc(NS(C)(=O)=O)s1,CID651754,,,,,,,0.0,,,,,,0.0,,,,
CCCc1nnc(NC(=O)CC(=O)OCC)s1,CID789846,,,,,,,,,,,,0.0,,,,,
CC(C)CN(CC(C)C)c1nnc(N)s1,CID5309281,,,0.0,0.0,,,,,,,,,,,,,
CCOC(=O)CC(=O)Nc1nnc(C(C)C)s1,CID666246,,,,0.0,,,,,,0.0,,,,,,,
CCOCC(=O)Nc1nnc(SCCOC)s1,CID645356,,0.0,,,,,,,,,,,0.0,,,,
CCCCC(=O)Nc1nnc(C)s1,CID1715263,,,0.0,0.0,,,,,,,,,,,,,0.0
Cc1nnc(N(CCC#N)CCC#N)s1,CID652556,,,,0.0,,,,,,,,,,,,,
COC(=O)CCSCC(=O)Nc1nnc(C)s1,CID4087011,,,,0.0,,,,,,,,,,,,,
CCC(=O)Nc1nnc(C(C)(C)C)s1,CID702044,,,,,,,,,,,0.0,,,,,,
COC(=O)Cc1nnc(NC(=O)C(C)C)s1,CID977293,,,,,,,,,,,,0.0,,,,,
CCOC(=O)C(CC)(CCC(=O)Nc1nncs1)C(=O)OCC,CID661247,,,,0.0,,,,0.0,,,,,,,,,0.0
CCC(=O)Nc1nnc(SCCOC)s1,CID3158306,,,,,,,,,,0.0,0.0,0.0,,,,,
CCOCC(=O)Nc1nnc(C)s1,CID648433,,,,,,,,,,,0.0,,0.0,,,,
COCc1nnc(NC(=O)CC(C)C)s1,CID769203,,,,,,,,,,0.0,,,,,,,
CCC(SCC(=O)OC)C(=O)Nc1nnc(C(C)C)s1,CID3604219,0.0,,,0.0,,0.0,,,,,0.0,,0.0,,,,
CCOCC(=O)Nc1nnc(COCC)s1,CID1825727,,0.0,0.0,,,,,,,,,,,,0.0,0.0,0.0
CCOC(=O)NC(Nc1nnc(C)s1)(C(=O)OCC)C(F)(F)F,CID401437,0.0,0.0,,,0.0,,,,,,,,,,,,0.0
CCSc1nnc(N(CCC#N)CCC#N)s1,CID661458,,0.0,0.0,,,,,,,,,,,,,,
CC(=O)Nc1nnc(C)s1,CID234612,,,,,,,,,,,,,0.0,,,,
CCSc1nnc(NC(=O)C(C)(C)C)s1,CID873588,0.0,,,,,,,,,,,,0.0,,,,0.0
CCSc1nnc(NC(=O)CC)s1,CID1228188,,,,,,,,,,,0.0,,0.0,,,,
COC(=O)C(C)Sc1nnc(SC(C)C(=O)OC)s1,CID658413,,,,,0.0,,,,0.0,,,,,,,,
CCc1nnc(NC(=O)NC(C)(C)C)s1,CID2554128,,,,,,,,,,0.0,,,,,,,
CCCCCOC(=O)Nc1nnc(CCC)s1,CID2057396,,,,0.0,,0.0,,,,,,,0.0,,,0.0,
CC(C)(C)c1nnc(NS(C)(=O)=O)s1,CID846178,,,,,,,,,0.0,,,0.0,,,,,
CCCCOC(=O)Nc1nnc(CCOCC)s1,CID2201171,,,,0.0,,,0.0,0.0,0.0,,,,,,,,
CCCCc1nnc(NC(=O)C=C(C)C)s1,CID1637437,,0.0,,,,,,,,,,0.0,,,,,0.0
CCCC(=O)Nc1nnc(CCOC)s1,CID4562431,,,,,,,,,,,,,,,0.0,,
CCOC(=O)CSc1nnc(N)s1,CID351912,,,0.0,,,,,,,0.0,,,0.0,,0.0,,
CC(C)c1nnc(NC(=O)CCCC(=O)O)s1,CID960591,,,,0.0,,,,,,,,,,,,,0.0
CCCCNC(=O)CSc1nnc(NC(C)=O)s1,CID1863801,0.0,,,,,,0.0,,,0.0,,,0.0,,,,
COCc1nnc(NC(=O)C(C)C)s1,CID734582,,,,,,,,,,,,,0.0,,,,
CCCCOC(=O)Nc1nnc(CC)s1,CID1562720,,,,,,,,,0.0,,,,,,,,
NC(=O)Cc1nnc(N)s1,CID1504975,,,,,,,,,,,,,,,0.0,,
CCc1nnc(NC(=O)CCC(=O)O)s1,CID582092,,,,,,,,,,,,0.0,,,,,
COc1cc(NC(=O)c2cccnc2SC)cc(OC)c1,CID2128437,,,,,,,,,,,,,,0.0,,,
CC(C)c1ccc(NC(=O)c2cccnc2)cc1,CID747646,,0.0,,0.0,0.0,0.0,0.0,,,,,,0.0,,,,
Cc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)c1cccnc1,CID693626,,,,,0.0,,,,,0.0,,,,,,,0.0
COc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c(OC)n1,CID3242832,0.0,,,,,,,,,,,,,,,,
CCN(CC)c1ccc(NC(=O)c2cccnc2)cc1,CID875306,,,,,,0.0,,,,,,,,,,,
COC(=O)c1ccccc1NC(=O)c1cncc(Br)c1,CID720040,0.0,,,,,,,,0.0,,0.0,,,,0.0,,
CC(C)c1ccc(O)c(NC(=O)c2cncc(Br)c2)c1,CID3242278,0.0,,,,,,,,,,,,,,,0.0,0.0
CCN(CC)c1ccc(NC(=O)c2cccnc2)c(C)c1,CID899749,,,,,,,,,,,,0.0,,,,,
O=C(Nc1ccc(F)cc1F)c1cccnc1,CID654213,,,,,,,,,,,,,0.0,,,,0.0
CC(C)NS(=O)(=O)c1ccc(NC(=O)c2cccnc2)cc1,CID2134222,,,0.0,,,,,,,,,,,,,0.0,
CCC(C)c1ccc(NC(=O)c2cccnc2)cc1,CID2842749,,,,0.0,0.0,,,,,0.0,,,,,,,
CN(C)C(=O)c1ccc(NC(=O)c2cccnc2)cc1,CID656242,,0.0,0.0,,,,,,0.0,,0.0,0.0,,,,,
O=C(Nc1ccccc1C(=O)O)c1cncc(Br)c1,CID805036,,,,,,,,,0.0,,0.0,,,,0.0,,
COc1cccc(NC(=O)c2cccnc2)c1,CID668900,,,,0.0,,,0.0,,,0.0,,0.0,,,,0.0,
CCOc1ccc(NC(=O)c2cccnc2Cl)c([N+](=O)[O-])c1,CID2851881,,,,,,,,,,,,,,,0.0,,
CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2cncc(Br)c2)c1,CID3892914,,,,,,,,,,,,,,,0.0,,
CCC(C)c1ccc(O)c(NC(=O)c2cncc(Br)c2)c1,CID2941334,0.0,,,,,,,,0.0,,,,,,,0.0,
CCOC(=O)c1ccc(Cl)c(NC(=O)c2cccnc2)c1,CID7311963,,,,,,,,,,,,,,,0.0,,
CCc1ccc(NC(=O)c2cccnc2)cc1,CID279883,,,,,,,0.0,0.0,,,,0.0,,,,0.0,
CCOC(=O)c1cc(NC(=O)c2cccnc2)cc(C(=O)OCC)c1,CID1246414,0.0,,0.0,0.0,,,0.0,,,,0.0,,0.0,0.0,,,0.0
C=CCSc1nc(N)c(C(=O)Nc2ccccc2C)cc1C(N)=O,CID2197462,,,,,,,,,,,,,,,,0.0,
CCOC(=O)CSc1ccc(C(=O)Nc2ccc(Cl)cc2)cn1,CID1486212,,,,,,,,,,,,,,0.0,0.0,,
CCN(CC)c1ccc(NC(=O)c2cncc(Br)c2)cc1,CID720052,0.0,,,,,,0.0,,0.0,,,0.0,,,0.0,,
CC(C)c1ccc(O)c(NC(=O)c2cccnc2)c1,CID753642,,,,,,,,,,0.0,,0.0,,,,,
COc1ccc(NC(=O)c2cccnc2)c(OC)c1,CID668899,,,,,,,0.0,,,,,0.0,,,,,0.0
CSc1ccccc1NC(=O)c1cccnc1,CID1246603,,,,0.0,0.0,,,,,,,,,,,,
CCOC(=O)c1ccccc1NC(=O)c1cccnc1,CID771966,,,,,,,,,0.0,0.0,,,0.0,,,,
COc1ccccc1NC(=O)c1cccnc1,CID787042,,,,,,,,,,0.0,,0.0,,,,,
CSc1ccc(C#N)cc1NC(=O)c1ccc(Cl)nc1,CID1471752,,,,,,,,,,,,,,,0.0,,
CCN(C(=O)c1cccnc1)c1ccccc1,CID668777,,,,,,,,,0.0,0.0,,,,,,,
CN(C)S(=O)(=O)c1ccc(NC(=O)c2cccnc2)cc1,CID763232,,,,,,,,,0.0,0.0,,,,,,,
CN(C)C(=O)c1ccc(NC(=O)c2cncc(Br)c2)cc1,CID627566,0.0,,,,,,0.0,,0.0,,0.0,,,,,,0.0
CCSc1ccc(NC(=O)c2cccnc2)cc1,CID847808,,,,,,0.0,,,,,,0.0,,,,,
CCN(CC)c1ccc(NC(=O)c2ccc(Cl)nc2)cc1,CID2090709,,,,,,0.0,,,,,,,,,,,
COc1ccc(Cl)cc1NC(=O)c1cccnc1,CID767774,0.0,,,0.0,,0.0,,0.0,,0.0,,,0.0,0.0,,0.0,0.0
CCC(C)c1ccc(O)c(NC(=O)c2cccnc2)c1,CID2999843,0.0,,0.0,0.0,,0.0,0.0,,,0.0,,,,0.0,,0.0,0.0
CNS(=O)(=O)c1ccc(NC(=O)c2cncc(Br)c2)cc1,CID2134207,,,,,,,,,,,,,,0.0,,,
Cc1cccc(NC(=O)c2cccnc2)c1,CID532819,,,,0.0,,,,,,,,0.0,,,,,
Cc1cccc(C(C)C)c1NC(=O)c1cccnc1,CID729097,0.0,,,,0.0,,,,,0.0,,,0.0,,,0.0,
C=CCSc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N,CID2197499,,,,,,,,,,0.0,,,,,,,
CCC(C)c1ccccc1NC(=O)c1cccnc1,CID2939530,,,,,0.0,,,0.0,,0.0,,,,,,0.0,
O=C(Nc1ccc(Br)cc1F)c1cccnc1,CID773500,,,,,,,,,,,,,,0.0,,,
CCOc1cc(C#N)c(NC(=O)c2cccnc2)cc1OCC,CID715260,,0.0,,,0.0,0.0,,0.0,,,,,0.0,0.0,,,0.0
CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccnc2)c1,CID894591,0.0,0.0,,0.0,,,0.0,,,0.0,,,,,,0.0,
O=C(Nc1cccc(C(F)(F)F)c1)c1cccnc1,CID279876,,,,0.0,,,,,0.0,,,0.0,,,,,
CSc1nc(C)c(C(=O)Nc2ccccc2)c(C)c1C#N,CID657913,,0.0,,0.0,0.0,,,,,0.0,,,,,,0.0,0.0
CCOc1cc(C#N)c(NC(=O)c2cccnc2Cl)cc1OCC,CID714823,,,,,,,,,0.0,,,,,,0.0,,
COc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)c(OC)n1,CID3244364,0.0,,0.0,,,,,,,,,,,,,,0.0
CCC(=O)Nc1cccc(NC(=O)c2cccnc2)c1,CID653207,,,,,,,,,,,,0.0,,,0.0,,
CC(C)c1ccccc1NC(=O)c1cccnc1,CID648063,,,0.0,0.0,0.0,0.0,0.0,0.0,,0.0,,,0.0,,,,
CCCOC(=O)c1cccc(NC(=O)c2cccnc2)c1,CID1563227,,,,,0.0,,0.0,,0.0,,0.0,,0.0,0.0,,,
Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cncc(Br)c1,CID2791564,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(C)(C)C)cc1NC(=O)c1cncc(Br)c1,CID2085771,,,,,,,,,0.0,,0.0,0.0,,,0.0,,
CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccnc2)c1,CID893089,,,,0.0,,,0.0,0.0,,0.0,,0.0,0.0,0.0,,,
O=C(Nc1c(F)cc(F)cc1Br)c1cccnc1,CID1244333,0.0,,,,,,,,0.0,,,,,,0.0,,
CC(C)(C)c1ccccc1NC(=O)c1cccnc1,CID1244993,0.0,,0.0,,0.0,,0.0,,,0.0,,,,,,0.0,
O=C(Nc1ccccc1C(F)(F)F)c1cccnc1,CID650621,,,,0.0,,,,,0.0,,,,,,,,
COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cccnc1,CID1245929,,,,,,,0.0,,,,,0.0,0.0,,,0.0,
CCOc1ccc(NC(=O)c2cccnc2C(=O)O)cc1,CID3240810,,,,,,0.0,0.0,,,,,,,,,,
CCOc1ncccc1C(=O)Nc1ccc(Cl)cc1,CID3244482,0.0,0.0,,,,,,0.0,,,,,,,,,0.0
CC(C)C(=O)Nc1cccc(NC(=O)c2cccnc2)c1,CID805052,,0.0,,,,,,,,0.0,,0.0,0.0,,,,0.0
CCNS(=O)(=O)c1ccc(NC(=O)c2cncc(Br)c2)cc1,CID993374,,,,,,,,,,,,,,0.0,0.0,,
CCOC(=O)c1cccc(NC(=O)c2cccnc2)c1,CID732103,,,0.0,,,,,,0.0,0.0,,,0.0,,,,
CCOc1ccccc1NC(=O)c1cccnc1,CID768286,,,,,,,,,,0.0,,0.0,,,,,
CCOC(=O)c1ccccc1NC(=O)c1cncc(Br)c1,CID835923,0.0,,,,,,,,0.0,,,0.0,,,0.0,0.0,0.0
CCNS(=O)(=O)c1ccc(NC(=O)c2cccnc2)cc1,CID701256,,0.0,,,,,,,0.0,,,,0.0,,,0.0,
COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)c(OC)n1,CID3244999,0.0,0.0,,,,,,,,,,,,,,,
CCCNS(=O)(=O)c1ccc(NC(=O)c2cccnc2)cc1,CID1630801,,,,,,,,,0.0,,,0.0,,,,,
CSc1cccc(NC(=O)c2ccc(Cl)nc2)c1,CID2124974,,,,,,,,,,0.0,,,,0.0,,,
Cc1ccccc1NC(=O)c1c(Cl)nc(C)c(Cl)c1C,CID1266537,,,,,,,,,,,,,,,0.0,,
CCOC(=O)C1CCCCN1Cc1ccc(F)c(Br)c1,CID3700159,0.0,,,,,,,,,,,,,,,,
COc1ccc(CN2CCCCC2C)cc1OC,CID2845896,,,,,,0.0,,,,0.0,0.0,,,,,,
CS(=O)(=O)NC1CCN(Cc2ccccc2)CC1,CID669036,,,,0.0,0.0,,0.0,,,,,,,,,,
CCN(CC)C(=O)C1CCCN(Cc2ccc(OC)c(C)c2)C1,CID2838671,,,,0.0,,,,,,,,,,,,,0.0
CCOc1ccccc1CN1CCC(O)CC1,CID765418,,,,,,,,,,0.0,0.0,0.0,,,,,
CCOC(=O)C1CCN(Cc2ccc(OC)cc2OC)CC1,CID785874,,,,,,,,,,,,,,,,,0.0
COC(=O)C(CCSC)NC(=O)NC1CCN(Cc2ccccc2)CC1,CID664355,,,0.0,,0.0,,0.0,0.0,,,,,,,0.0,,
CCCCC(=O)C1CCN(Cc2ccccc2)CC1,CID657664,,,,,,,0.0,,,0.0,0.0,,,,,,
CCOC(=O)C1CCCN(Cc2ccccc2F)C1,CID2838130,,,,0.0,,0.0,,,,,,,,,,,
CCOC(=O)C1CCCN(Cc2ccc(O)c(OC)c2)C1,CID2838075,,,,,0.0,,,,,0.0,,,,,,,0.0
CCOC(=O)C1CCCN(Cc2ccccc2OCC)C1,CID2838078,,,,,,,,0.0,,,,,,,,,
CN(C)CC(C)(C)CNC(=O)C1CCN(Cc2ccccc2O)CC1,CID652004,0.0,,,0.0,,,,,0.0,,,,,,,,
CCOC(=O)C1CCN(Cc2ccc(O)c(OC)c2)CC1,CID2056113,0.0,,,0.0,0.0,,,,,,,,,,,,0.0
CCCCOc1ccc(CN2CCC(O)CC2)cc1,CID2055522,,,0.0,,,,0.0,,,0.0,0.0,,,,,,
CCOC(=O)C1CCCN(Cc2c(F)cccc2Cl)C1,CID2845955,,,,,,,0.0,,,,,,,,,,
CCN(CC)C(=O)C1CCCN(Cc2cccc(F)c2)C1,CID2838041,,,,0.0,,,,0.0,,,,,0.0,,,,
Cc1cccc(CN2CCC(C(N)=O)CC2)c1,CID783753,,,,,,,,,,0.0,,0.0,,,,,
CCOc1cc(C(C#N)N2CCCCC2)ccc1OC,CID2948424,,,,,,0.0,,,0.0,0.0,,,,,0.0,,
CCOC(=O)C1CCCN(Cc2cc(Br)c(OC)cc2OC)C1,CID2837842,,,,,,,,,,,0.0,,,,,,0.0
CCCCOc1ccc(CN2CCCCC2)cc1,CID2244929,,,,,,,,,,,,,,,0.0,,
CSc1ccc(CN2CCC(O)CC2)cc1,CID763004,,,,,0.0,,,,,,,,,,,,
CCOc1cc(CN2CCCCC2)ccc1OC,CID783170,,,,,,,0.0,0.0,,0.0,,,,,,0.0,0.0
CCOC(=O)C1CCCCN1Cc1ccc(F)cc1,CID2837997,,,,,,0.0,,,,,,,,,,,
CCOC(=O)C1CCN(Cc2ccc(OC)c(C)c2OC)CC1,CID792699,,,,,,,,,,,,,0.0,,,0.0,
COc1ccc(CN2CCCCC2C)c(C)c1C,CID2845646,,,,,,,,0.0,,,,0.0,,,,,
CCN(CC)C(=O)C1CCCN(Cc2ccccc2)C1,CID2838082,,,,,,,,,0.0,,,,,,,,
CC(C)(C)c1cc(CN2CCCC(O)C2)c(O)c(C(C)(C)C)c1,CID2846003,,,,,,,,,,0.0,0.0,,,,,,
N#CC(c1ccc(O)cc1)N1CCCCC1,CID442638,,,,,,,,,,0.0,,0.0,,,,,
CCOC(=O)C1CCCN(Cc2c(Cl)cccc2Cl)C1,CID2846100,,,,0.0,,,,,,,,,0.0,,,,
COc1cccc(C(C#N)N2CCCCC2)c1O,CID2945376,,,0.0,,,,,,,0.0,,,,,,0.0,
CCN(CC)C(=O)C1CCCN(Cc2ccc(OC)c(C)c2C)C1,CID2838706,,,,,,,,,,,,,,,,,0.0
CCOC(=O)C1CCCCN1Cc1ccccc1C(F)(F)F,CID3246748,,,,0.0,,,0.0,,,,,,,,,,
CCOC(=O)C1CCCN(Cc2ccccc2C)C1,CID2837947,,0.0,0.0,,,,0.0,,,,0.0,,,,,,0.0
COc1cc(C(C#N)N2CCCCC2)ccc1O,CID2878002,,,,0.0,,,,0.0,,0.0,,,,,,,
CCN(CC)C(=O)C1CCCN(Cc2ccccc2C(F)(F)F)C1,CID2838111,,,,0.0,,,,,,,,,,,,,
O=[N+]([O-])c1ccc(Cl)c(CN2CCC(O)CC2)c1,CID764363,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C1CCCCN1Cc1cc(Cl)ccc1O,CID2845758,,,,,,,,,,,,,,,0.0,,0.0
CCOC(=O)C1CCN(Cc2ccc(C(=O)OC)cc2)CC1,CID782348,,,0.0,0.0,,,,0.0,,,,,0.0,,,0.0,
CCN(CC)C(=O)C1CCCN(Cc2ccccc2F)C1,CID2838113,,0.0,,0.0,,,0.0,,,,,,,,,,
CCN(CC)C(=O)C1CCCN(Cc2ccc(N(C)C)cc2)C1,CID2837886,,,,,,,,,,,,,,,,0.0,
CCOC(=O)C1CCCN(Cc2cc(Br)ccc2OC)C1,CID2837920,0.0,,,,,,,,,,0.0,,,,,0.0,
CCOC(=O)C1CCCN(Cc2ccc(OC)cc2OC)C1,CID2838347,,,,,,0.0,,0.0,,,,,0.0,,,,0.0
COc1cc(CN2CCCC(C)C2)cc([N+](=O)[O-])c1O,CID2845936,,,,,,,,,,,,,,0.0,,,
COC(=O)C1CCN(Cc2ccc(C)cc2)CC1,CID1475086,,,,,,,,,0.0,,0.0,,,,,,
CCOC(=O)C1CCN(Cc2cccc(OC)c2)CC1,CID764308,,,,,,,,,,0.0,0.0,,,,,,
CCOC(=O)C1CCCN(Cc2cc(OC)c(O)c(OC)c2)C1,CID2838426,,0.0,,,0.0,,,,,,,,,,,,
CCOC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1,CID723339,,,0.0,,,,,,,,,,,,,,
CC(=O)C1CCN(Cc2ccccc2)CC1,CID910923,,,,,,0.0,,,0.0,0.0,,,,,,,
CCOC(=O)C1CCCCN1Cc1ccc(OC)c(OC)c1OC,CID659108,,,,,,,,0.0,,,,,,,,,
OC1CCCN(Cc2ccccc2)C1,CID85773,,,,,,0.0,,,,0.0,,0.0,,,,,
CCOC(=O)C1CCCN(Cc2ccccc2Cl)C1,CID2838273,,,,,,,,,,0.0,,,,,,,
CCC1CCCCN1Cc1ccc(OC)c(OC)c1,CID2845827,,,,,,0.0,,0.0,,,0.0,,,,,0.0,
CCC1CCCCN1Cc1ccc(OC)c(C)c1,CID2846207,,,,,,0.0,,,,0.0,0.0,,,,0.0,,
CCOC(=O)C1CCN(Cc2ccc(N(C)C)cc2)CC1,CID763998,,,,,0.0,,0.0,,,0.0,,,,,,0.0,
NC(=O)C1CCCN(Cc2ccc(Cl)cc2)C1,CID2845797,0.0,,,,,,,,,0.0,,,,,,0.0,0.0
COc1cc(C)c(CN2CCCCC2CO)cc1C,CID2842706,,,,,,,,,,0.0,0.0,,,,,,
CN(C)c1ccc(CN2CCCC(O)C2)cc1,CID2838100,,,,,,0.0,,,,,,,,,,,
COC(=O)C(NC(=O)NC1CCN(Cc2ccccc2)CC1)C(C)C,CID664811,0.0,,,,,0.0,,0.0,0.0,0.0,,,,,,0.0,0.0
CCOC(=O)C1CCCN(Cc2cccc(Cl)c2)C1,CID2838527,0.0,,0.0,0.0,,,,,,,,,,0.0,,,0.0
CCN(CC)C(=O)C1CCCN(Cc2ccc(F)c(F)c2)C1,CID2838224,,,,0.0,,,,,,,,,,,,,
COc1ccc(C(C#N)N2CCCCC2)cc1OC,CID3000083,0.0,,,,,,,,,0.0,,0.0,,,,0.0,
CCCC(=O)C1CCN(Cc2ccccc2)CC1,CID793381,,,,,,,,,,0.0,0.0,,,,,,
COc1ccc(OC)c(CN2CCCC(CO)C2)c1,CID2843312,,,,,,,,,,0.0,0.0,,,,,,
CCC1CCCCN1Cc1cc(OC)c(O)c([N+](=O)[O-])c1,CID2845698,,,,,,0.0,,,,,,,,,,,
CCC1CCCCN1Cc1ccc(OC)c(C)c1C,CID2845979,,,,,,0.0,,,,,,,,,,,
CCOC(=O)C1CCN(Cc2ccccc2C)CC1,CID764682,,,,,,,,,0.0,0.0,0.0,,,,,,
CCOC(=O)C1CCN(Cc2ccc(F)c(Br)c2)CC1,CID764039,,,,,,,,,0.0,,0.0,,,,0.0,,
CCOC(=O)C1CCCN(Cc2ccc(OCC)cc2)C1,CID2838238,,,,,,0.0,,,,,,,,,,,
CCOC(=O)C1CCN(Cc2ccccc2C(F)(F)F)CC1,CID764638,,,,0.0,,,,,,,,,,,,,0.0
CSc1ccc(Cl)c(C(=O)Nc2ccc(C)cn2)c1,CID1224965,,,,,,,,,,,,,,0.0,,,
CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cccc(C)n2)c1,CID1258719,,,,,,,,,,0.0,,0.0,,,0.0,,
COc1cccc(C(=O)Nc2ccc(NC(=O)C(C)(C)C)cn2)c1,CID653989,,0.0,,,0.0,,,,0.0,,,,,,,,
COc1cccc(C(=O)Nc2ccc(NC(C)=O)cn2)c1,CID649510,,0.0,,0.0,,,,,0.0,0.0,,0.0,,,0.0,0.0,
CCCCOc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1,CID3140249,,,,,,0.0,,,,,,,,,,,
COc1cc(C(=O)Nc2ccc(Cl)cn2)cc(OC)c1OC,CID673854,,,,,,0.0,,,,,,,,,,,
CCOc1cc(OCC)cc(C(=O)Nc2ccc(Cl)cn2)c1,CID879916,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(=O)Nc2ccc(C)cn2)c(OC)c1,CID649849,,,,,0.0,,0.0,,,,,,0.0,,,,
Cc1cccc(NC(=O)c2ccccc2Br)n1,CID3596763,0.0,,,,,,,,,,,,,,,,0.0
CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccn2)cc1,CID623917,0.0,0.0,0.0,,,0.0,,,0.0,0.0,,0.0,,,,0.0,
Cc1ccccc1C(=O)Nc1ccccn1,CID799062,,,,,,,,,,0.0,,0.0,,,,,
Cc1ccnc(NC(=O)c2ccccc2[N+](=O)[O-])c1,CID691766,,,,,,,,,,,,,,0.0,,,
O=C(Nc1ccccn1)c1ccc(Cl)c([N+](=O)[O-])c1,CID774008,,,,,,,,,,,,,,,0.0,,
Cc1ccc(NC(=O)c2ccccc2F)nc1,CID644591,,,,,,,,,,,,,,,0.0,,
CCCCOc1ccc(C(=O)Nc2cccc(C)n2)cc1,CID3237591,0.0,,,,0.0,0.0,,,,0.0,,,,0.0,0.0,0.0,
Cc1cc(C)nc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1,CID896285,,,,,,,,,,,,,,,0.0,,
Cc1cccc(NC(=O)c2ccccc2NC(=O)C(C)(C)C)n1,CID649854,,,,0.0,,,,,0.0,,,,0.0,,,,
Cc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])nc1,CID840320,,,,,,,,,,,,,,0.0,0.0,,
COc1cc(SC)ccc1C(=O)Nc1ccc(Cl)cn1,CID692041,,,,,,,,,,,,,,0.0,0.0,,
COC(=O)c1cc(C(=O)Nc2ccc(Cl)cn2)cc([N+](=O)[O-])c1,CID2261752,,,,,,,,,,,,,,,0.0,,
Cc1ccccc1C(=O)Nc1ccc(Br)c(C)n1,CID955825,0.0,,,,,,,,0.0,,,,,,0.0,0.0,0.0
CCC(=O)Nc1cnc(NC(=O)c2cccc(F)c2)cc1C,CID644584,,,,,,,0.0,,,,,,0.0,,,,
O=C(Nc1ccc(Cl)cn1)c1ccccc1F,CID36851,,,,,,,,,,0.0,,,,,,,
Cc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])n1,CID771902,,,,,,0.0,,,,,,,,,0.0,,
Cc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])nc1,CID798629,,,,,,,,,,,,,,,0.0,,
CCC(=O)Nc1ccc(NC(=O)c2ccccc2)nc1,CID1449197,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)nc(NC(=O)c2cccc([N+](=O)[O-])c2)c1,CID896056,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1cccnc1NC(=O)c1ccccc1,CID302495,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cn1,CID2887013,,,,,,0.0,,,,,,,,,,,
CC(C)C(=O)Nc1ccc(NC(=O)c2ccccc2Cl)nc1,CID649638,0.0,0.0,,,,,0.0,,,0.0,,,0.0,,0.0,0.0,0.0
Cc1cccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n1,CID877226,,0.0,,0.0,,,0.0,,,,,0.0,,,,0.0,
COCCSc1ccccc1C(=O)Nc1ccc(Cl)cn1,CID1803128,,,,,,,,,,,,,,0.0,,,
COC(=O)CCN(C(=O)c1cccc(OC(C)=O)c1)c1ccccn1,CID2928546,,,,,,,,,,,,,,,0.0,,
CCC(=O)Nc1ccc(NC(=O)c2ccccc2Cl)nc1,CID651863,0.0,,0.0,,,,,,,0.0,,,,,0.0,0.0,0.0
COc1cc(C(=O)Nc2ccccn2)cc(OC)c1OC,CID659323,,,,,,,0.0,,0.0,,,0.0,,,,,
CC(=O)Nc1cnc(NC(=O)c2cccc(F)c2)cc1C,CID646831,,,,,,,,0.0,,,,,,,0.0,,
Cc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1,CID644704,0.0,,0.0,,,,,,,,,,0.0,,,,0.0
O=C(O)c1ccccc1C(=O)Nc1ccccn1,CID671082,,,0.0,,,,,,0.0,,,,,,,,
COc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1Cl,CID3237952,0.0,,,,,,,,,,,,0.0,,,,
CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cn2)ccc1C,CID1039727,,0.0,,,0.0,,,,,,,,,,,,0.0
COc1cc(C(=O)Nc2cc(C)ccn2)cc(OC)c1OC,CID654619,,0.0,0.0,,,,0.0,0.0,0.0,0.0,,0.0,,0.0,,0.0,0.0
COc1ccccc1C(=O)Nc1ccccn1,CID689500,,,,,,,,0.0,,,,,,,,0.0,
COc1ccc(C(=O)Nc2ccccn2)cc1,CID821599,,,,,,,,,,,,0.0,,,,,
CCOc1ccccc1C(=O)N(CCC(=O)OC)c1ccccn1,CID2948564,,,,0.0,,,0.0,,,,,,0.0,,,0.0,
CCCOc1cccc(C(=O)Nc2ccc(Cl)cn2)c1,CID2270947,,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccc(Cl)cn1)c1ccccc1[N+](=O)[O-],CID766647,,,,,,,,,,,,,,,0.0,,
CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)cn2)c1,CID2331136,0.0,0.0,,0.0,0.0,,,,,0.0,,,,,,,
Cc1cccnc1NC(=O)c1ccccc1NC(=O)C(C)(C)C,CID777758,,,,,,,,,0.0,0.0,,0.0,,,,,
Cc1ccnc(NC(=O)c2ccccc2NC(=O)C(C)(C)C)c1,CID777759,,,,,,,,,0.0,,,0.0,,,,,
CC(C)(C)C(=O)Nc1ccccc1C(=O)Nc1ccccn1,CID777757,,,,,,,,,0.0,,,,,,,,
Cc1ccccc1C(=O)Nc1ccc(Cl)cn1,CID758009,0.0,0.0,0.0,,,,0.0,,,,,,0.0,,,0.0,0.0
CCOc1cc(C(=O)Nc2cc(C)ccn2)cc(OCC)c1OCC,CID649583,0.0,,,,,,,,0.0,,,0.0,,,,0.0,0.0
CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)cn2)c1,CID652548,0.0,,0.0,0.0,0.0,,,,,0.0,,0.0,,,0.0,0.0,
CCC(=O)Nc1ccc(NC(=O)c2cccc(OC)c2)nc1,CID646424,0.0,,,,,,,,,,,0.0,,,,0.0,
CCCC(=O)Nc1ccc(NC(=O)c2cccc(OC)c2)nc1,CID652715,0.0,,0.0,0.0,,,,,0.0,0.0,,0.0,,,,,
CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccn2)ccc1C,CID871491,0.0,,,0.0,,,,,0.0,,0.0,,,,,,
COc1ccc(Cl)cc1C(=O)Nc1cccc(C)n1,CID762517,,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccc(Cl)cn1)c1cccc(F)c1,CID790317,,0.0,,0.0,,,,,,0.0,,,,,,0.0,0.0
COC(=O)CCN(C(=O)c1cc(OC)c(OC)c(OC)c1)c1ccccn1,CID2892263,,,,,,,,,,,,,,,0.0,,
COc1cc(C(=O)Nc2ccc([N+](=O)[O-])cn2)cc(OC)c1OC,CID2886565,,,,,,,,,,,,,,,0.0,,
CCCC(=O)Nc1ccc(NC(=O)c2ccccc2Cl)nc1,CID654701,0.0,0.0,,,,,,,,0.0,,,0.0,,,,0.0
CCSc1ccc(C(=O)Nc2ccc(Br)cn2)cc1[N+](=O)[O-],CID1256019,,,,,,,,,,,,,,0.0,,,
CCOc1cc(OCC)cc(C(=O)Nc2cc(C)ccn2)c1,CID763823,,,,,,0.0,,,,,,,,,,,
CCCC(=O)Nc1cnc(NC(=O)c2cccc(F)c2)cc1C,CID647981,,0.0,,,,,,,,,,0.0,,0.0,,,0.0
Cc1ccccc1C(=O)Nc1ccc(Br)cn1,CID799673,0.0,,,,,,,,0.0,,,0.0,,,,0.0,0.0
COC(=O)c1cc(C(=O)Nc2cccc(C)n2)cc([N+](=O)[O-])c1,CID690592,,,,,,,,,,,,,,,0.0,,
Cc1ccnc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1,CID773698,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(C(=O)Nc2cccc(C)n2)cc1,CID656366,,,,0.0,0.0,0.0,,,0.0,0.0,,,0.0,,,,
Cc1ccc(NC(=O)c2cccc(Cl)c2)nc1,CID653666,0.0,,0.0,,,,,,,,,,0.0,,,0.0,
CCC(C)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C,CID3000116,0.0,0.0,,,,,,,,,0.0,,0.0,,,0.0,
Cc1ccc(-c2nnc(SCC(=O)OC(C)C)n2N)cc1,CID936630,,,,,,,,,,,,0.0,,,,,
COCCCn1c(SCC(N)=O)nnc1-c1ccccc1,CID653864,,0.0,,0.0,,,0.0,,0.0,,,0.0,,,,0.0,
CCOC(=O)CNC(=O)CSc1nnc(-c2ccc(OC)cc2)n1CC,CID3149354,,,,,,,,,0.0,,0.0,,,,,,
CCNC(=O)CSc1nnc(-c2ccc(OC)cc2)n1CC(C)C,CID2436265,,,,,,,,,0.0,,,,,,,,
COn1cnnc1-c1ccccc1,CID665261,,,,,,0.0,0.0,0.0,,0.0,,,,,,,0.0
CC(C)OC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1N,CID662232,0.0,,,,,,0.0,,,,,,,,,0.0,
COc1ccccc1-c1nnc(SC)n1C,CID1435196,,,,,,,,,,,,,,,0.0,,
C=CCn1c(SCC(=O)O)nnc1-c1ccc(C(C)(C)C)cc1,CID665249,,,,,,,0.0,,,,,,0.0,,,0.0,0.0
Cc1ccc(-c2nnc(SC(C)C#N)n2N)cc1,CID2998458,,0.0,,,,,0.0,,,0.0,,,,,,,
CC(C)(C)c1ccc(-c2nnc(SCC(=O)O)n2N)cc1,CID654934,,0.0,,,,,0.0,,,0.0,0.0,,,,,,0.0
Cc1ccc(-c2nnc(SCC(C)C)n2C)cc1,CID864892,,,,,,,,,,,,,,,0.0,,
CSc1nnc(-c2cccc(C)c2)n1N,CID885750,,,,,,,,,0.0,,,,,,,,
COCCSc1nnc(-c2cccc(C#N)c2)n1C,CID644950,,0.0,,0.0,,,,,,0.0,,,0.0,,,0.0,
COc1ccc(-c2nnc(SCC(N)=O)n2N)cc1,CID938050,,,,,,,0.0,0.0,,,,,,,,,
CCn1c(SCC(=O)C(C)(C)C)nnc1-c1ccccc1OC,CID665334,0.0,,,,,0.0,0.0,,,,,,,0.0,0.0,0.0,0.0
CCCCSc1nnc(-c2ccc(NC(C)=O)cc2)n1C,CID661354,,0.0,0.0,,,,0.0,0.0,,,0.0,,,,,,0.0
Cc1ccc(-c2nnc(SCC(=O)O)n2N)cc1,CID662700,,0.0,,0.0,,,,,,,0.0,,0.0,,,,
C=CCn1c(SCC(=O)O)nnc1-c1ccccc1,CID794133,,,,,,,,,,,,0.0,,,,,
CCn1c(SCC(N)=O)nnc1-c1ccc(OC)c(OC)c1,CID647564,,,,,,,,,0.0,,,,,,,0.0,0.0
C=C(C)CSc1nnc(-c2ccc(OC)cc2)n1N,CID936197,,,,,,,,,,,,,,0.0,,,
COCCn1c(SCC(=O)OC(C)C)nnc1-c1ccccc1,CID648206,,0.0,0.0,0.0,,,0.0,,,,,,0.0,,,0.0,0.0
Cc1ccc(-c2nnc(SCC#N)n2N)cc1,CID2076578,,,,,,,,,,,,,0.0,,,,
COCCn1c(SCC#N)nnc1-c1ccc(OC)cc1,CID3170157,,,,,,,,,0.0,,,,,,,,
CC(C)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C,CID2520806,0.0,,,,,,,0.0,,,0.0,,,,,0.0,
COc1cccc(-c2nnc(SCCC(=O)O)n2C)c1,CID645327,,,,0.0,,,,,,,,,,,,0.0,0.0
CCn1c(SCC(=O)OC(C)C)nnc1-c1ccccc1OC,CID865719,,,,,,,,,,,,,,,0.0,,
COC(=O)CNC(=O)CSc1nnc(-c2ccc(OC)cc2)n1CC(C)C,CID4616182,,,,,,0.0,,,0.0,0.0,,,,,0.0,,
C=C(C)CSc1nnc(-c2ccc(OC)c(OC)c2)n1N,CID662712,,,,,0.0,,,,,,0.0,,,,,0.0,0.0
On1cnnc1-c1ccccc1,CID589306,,,,,,,,0.0,,,,0.0,,,,,
CCOC(=O)CNC(=O)CSc1nnc(-c2cccc(OC)c2)n1CC,CID665333,,0.0,0.0,,,,,0.0,0.0,,0.0,,,,,,
CCCCSc1nnc(-c2ccc(NC(=O)CC)cc2)n1C,CID1835956,,,,,,,0.0,0.0,,,,,0.0,,,0.0,
C=CCn1c(SCC(N)=O)nnc1-c1cccc(Br)c1,CID660934,0.0,,,,,,,,0.0,,,,,,,0.0,0.0
COCCCn1c(SCC(=O)NC(C)C)nnc1-c1ccccc1,CID644545,,,,,,,,,0.0,0.0,0.0,,,,,0.0,
Cn1c(SCC(=O)NC(C)(C)C)nnc1-c1ccc(C(C)(C)C)cc1,CID2520818,0.0,,,,,0.0,0.0,0.0,,,,,,,,,
COc1ccccc1-c1nnc(SCC(=O)O)n1C,CID645090,,0.0,,0.0,,,,0.0,,0.0,,,0.0,,,0.0,
CC(C)CCNC(=O)NC(=O)CSc1nnc(-c2ccccc2F)n1N,CID2558676,,0.0,,,,,,,,0.0,,,,,,0.0,
CCOC(=O)CSc1nnc(-c2cccc(Cl)c2)n1CC,CID2123067,0.0,0.0,0.0,0.0,0.0,0.0,,,,0.0,0.0,,0.0,,,0.0,
CCC(CC)NC(=O)CSc1nnc(-c2ccc(OC)cc2)n1C(C)C,CID2599254,,,,,,,,,,,0.0,,,,,,
CSc1nnc(-c2ccccc2)n1N,CID869419,,,,,,,,,,,,,0.0,,,,
COc1ccc(-c2nnc(SC)n2C)cc1,CID647629,,0.0,,,,0.0,,,,,,,0.0,,,,0.0
C=C(C)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1N,CID662608,,,,,0.0,0.0,,,,,0.0,0.0,0.0,,,0.0,
CCn1c(SCC(=O)OC)nnc1-c1ccccc1,CID860630,,,,,,,,,,,,,,,0.0,,
CSc1nnc(-c2ccccc2)n1C,CID213226,,0.0,,,,,,,,,,,0.0,,,,0.0
COCCn1c(SCC#N)nnc1-c1ccccc1,CID649871,,0.0,,,,,0.0,0.0,,,,,,,,,0.0
CCN(CC)C(=O)CSc1nnc(-c2ccccc2)n1N,CID662947,,0.0,,,,0.0,0.0,,,,,,,0.0,,0.0,
CCn1c(SCC(=O)O)nnc1-c1ccccc1,CID789066,,0.0,0.0,0.0,,,0.0,0.0,,0.0,,0.0,0.0,0.0,,0.0,
CCOc1ccc(-c2nnc(SCC(=O)N(CC)CC)n2N)cc1,CID662490,,,,,,0.0,,,,0.0,,,,,,0.0,
CCCCn1c(SCC(N)=O)nnc1-c1cc(OC)c(OC)c(OC)c1,CID652334,,,,,,,0.0,0.0,,,,,,,,0.0,
CC(Sc1nnc(-c2ccc(Cl)cc2)n1C)C(N)=O,CID2998345,0.0,0.0,,,0.0,,0.0,,,,,0.0,,,,,0.0
COc1ccc(-c2nnc(SCCC(=O)O)n2C)cc1OC,CID1257445,,,,,,,0.0,,,,,,0.0,,0.0,0.0,0.0
CC(C)OC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1N,CID663047,0.0,,,,,,,,,,,,,,,,
COCCCn1c(SCC(=O)NC(C)(C)C)nnc1-c1ccccc1,CID656035,,0.0,,,,,0.0,,,,0.0,,,,,,
CCOC(=O)CNC(=O)CSc1nnc(-c2ccccc2OC)n1CC,CID665306,,0.0,0.0,,,0.0,,,0.0,,,,,,,,0.0
CCN(CC)C(=O)CSc1nnc(-c2ccc(F)cc2)n1N,CID662278,0.0,,,,,,,0.0,,0.0,,,,,,,
COCCCn1c(SCC(=O)N(C)C)nnc1-c1ccccc1,CID651154,,0.0,,,,0.0,,,0.0,,0.0,,,,,0.0,
C=CCn1c(SCC(=O)O)nnc1-c1cccc(Cl)c1,CID665118,0.0,0.0,0.0,,0.0,,,,,,0.0,,0.0,,,,
CSc1nnc(-c2ccccc2Cl)n1N,CID734984,,0.0,0.0,,,,,,,,,,,,,,0.0
C=C(C)Cn1c(SCC(=O)O)nnc1-c1ccc(C(C)(C)C)cc1,CID726848,,,,,,,,,,,,,0.0,,0.0,0.0,
C=CCn1c(SCC(=O)NCC(=O)OCC)nnc1-c1cccc(OC)c1,CID665256,0.0,,,,,,0.0,,0.0,,,,0.0,,,,
C=C(C)CSc1nnc(-c2ccccc2)n1N,CID933254,,0.0,,0.0,,,,0.0,,,,,,,,0.0,0.0
Cn1c(SCC(N)=O)nnc1-c1ccccc1,CID650047,,0.0,,,,,,0.0,,0.0,0.0,,,,,,
CC(C)OC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1N,CID663111,,,0.0,,0.0,,,,,,,,,,,,0.0
CCn1c(SCC(=O)OC(C)C)nnc1-c1cccc(Cl)c1,CID1264470,0.0,0.0,,,0.0,0.0,,,,0.0,,,,,0.0,,
CCOC(=O)CSc1nnc(-c2ccc(OC)cc2)n1CC,CID647162,0.0,,,,,,,,,,,0.0,0.0,,,,0.0
CC(C)OC(=O)CSc1nnc(-c2ccccc2)n1N,CID937934,,,,,,,,,,0.0,,,,,,,
COc1cccc(-c2nnc(SCC(=O)OC(C)C)n2N)c1,CID663508,,,,0.0,,,,,,0.0,0.0,,,,,0.0,
CCCN(CCC)C(=O)CSc1nnc(-c2ccccc2)n1N,CID734979,,,,,,,0.0,0.0,,0.0,,,0.0,,,0.0,
C=C(C)CSc1nnc(-c2cccc(Cl)c2)n1N,CID663129,,0.0,0.0,,0.0,,,,,,0.0,0.0,,0.0,,0.0,0.0
O=C(CNS(=O)(=O)c1ccc(F)cc1)Nc1ccc(C(F)(F)F)cc1,CID1006109,,,,,,,,,0.0,,,,,,,,
COc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)S(=O)(=O)c1ccccc1,CID2219875,,,,,,,,,,,,,,0.0,,,
CCN(CC(=O)Nc1ccccc1C(=O)OC)S(=O)(=O)c1ccccc1,CID2230199,,,,0.0,,,0.0,,0.0,0.0,,,,,,,
CCN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)S(=O)(=O)c1cc(C)ccc1OC,CID2238215,,,,,0.0,,0.0,,,,,,0.0,,,,
CSc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1,CID1330897,,,,,,,0.0,,,,,,0.0,0.0,,,
COc1ccc(OC)c(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c1,CID1330898,,,,,,,,,,,,,,,0.0,,
COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(C(C)=O)c2)cc1,CID1317599,,,,0.0,,,0.0,,0.0,0.0,,0.0,,,,0.0,
Cc1ccc(C)c(NC(=O)CN(C)S(=O)(=O)c2ccccc2)c1,CID890584,,0.0,0.0,,,,,0.0,0.0,0.0,,0.0,,,,,0.0
O=C(CNS(=O)(=O)c1ccccc1)Nc1cccc([N+](=O)[O-])c1,CID893010,,,,,,,,,,,,,,0.0,,,
COc1ccccc1NC(=O)C(C)NS(=O)(=O)c1ccccc1,CID2963966,,,,,0.0,,0.0,0.0,,,,,,,,,
COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccccc2)cc1OC,CID2192340,,,,0.0,,,,0.0,,,,,,,,0.0,
CC(=O)Nc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1,CID2203495,,0.0,,,,,,0.0,0.0,,,,,,,0.0,
COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)Nc2cc(Cl)ccc2OC)c1,CID1266460,0.0,,,0.0,,,,,,,0.0,,,,,,
COc1ccccc1NC(=O)CNS(=O)(=O)c1ccccc1,CID891785,,,,0.0,0.0,,,,0.0,,,,,,,0.0,
COc1ccc(S(=O)(=O)NC(C)C(=O)Nc2cccc(C(C)=O)c2)cc1,CID2967634,,,,,,,,0.0,0.0,,,,0.0,,,0.0,0.0
COc1ccccc1NC(=O)C(C)NS(=O)(=O)c1ccc(Cl)cc1,CID2997989,0.0,,,,,,,,,,,,0.0,,,,0.0
COc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1,CID1298773,,0.0,,,,,0.0,0.0,,0.0,,0.0,,0.0,,,0.0
COc1ccccc1NC(=O)C(C)NS(=O)(=O)c1ccc(F)cc1,CID2967221,,0.0,,,,,,,,0.0,,,,,,,
Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2)cc1,CID2178261,,,,,,,,,0.0,,0.0,0.0,,,,,
COc1ccc(S(=O)(=O)NC(C)C(=O)Nc2ccccc2F)cc1,CID2969957,,,,,,,,,,0.0,,,,,,,
COc1ccc(NC(=O)C(C)NS(=O)(=O)c2ccccc2)cc1Cl,CID2963971,,,,,,,,,,0.0,,,0.0,,,,0.0
CSc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1,CID2202516,,,,,,,,,,0.0,,,,0.0,,,
CC(NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CID2955671,,,,,,,0.0,,,,,,,,,0.0,
CCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1ccc(NC(C)=O)cc1,CID2945939,,,,,,,,,0.0,,,,,,,0.0,0.0
COc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1,CID882050,,,0.0,0.0,,,0.0,0.0,0.0,,,,,,0.0,,
CCN(CC(=O)Nc1cccc(C(C)=O)c1)S(=O)(=O)c1ccc(OC)cc1,CID1258311,,,,,,,0.0,0.0,0.0,0.0,,,0.0,,,0.0,
COC(=O)c1ccccc1NC(=O)CN(C)S(=O)(=O)c1cc(C)ccc1OC,CID2304197,,,,,,,,,,0.0,,,0.0,,,0.0,
CSc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccccc2)c1,CID2192766,,,,,0.0,,0.0,,,,0.0,,,0.0,0.0,,
COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)Nc1ccccc1,CID1248521,,0.0,,0.0,,,,0.0,0.0,,0.0,,0.0,,,0.0,
COC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(C)c2)cc1,CID2212953,,,,,,,,0.0,0.0,0.0,,0.0,,,,0.0,
COC(=O)c1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(C)c1,CID2214286,0.0,0.0,,,,,0.0,,0.0,0.0,,0.0,0.0,,,0.0,0.0
CCC(C)(C)NC(=O)CN(C(=O)CNS(=O)(=O)c1ccccc1)c1ccccc1,CID654592,,,,,0.0,0.0,,,0.0,,0.0,,,,,,
Cc1ccc(C)c(NC(=O)CNS(=O)(=O)c2ccccc2)c1,CID891601,,,,0.0,0.0,,,0.0,0.0,,,,,,,0.0,0.0
O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)Nc1ccccc1F,CID2213782,,,,,0.0,,,,,,,,,,,,0.0
CCN(CC(=O)Nc1ccccc1C(=O)OC)S(=O)(=O)c1ccc(OC)cc1,CID2980895,,,0.0,0.0,,,,,0.0,0.0,,,,,,0.0,
COc1ccc(NC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)cc1,CID1006478,,,,,,,,,0.0,0.0,,,,0.0,,,
CSc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)c1,CID1298869,,,,,0.0,,,,,0.0,,,,,,,0.0
COc1ccc(S(=O)(=O)NC(C)C(=O)Nc2ccccc2C(F)(F)F)cc1,CID2967386,,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(OC)cc2)cc1,CID1312513,,,,,,,,0.0,0.0,0.0,,,,,,,0.0
CCCC(=O)Nc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccccc1,CID2219889,,,,0.0,0.0,,0.0,,0.0,,,,,,,0.0,
COC(=O)c1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(OC)cc1,CID1318310,,,,0.0,,,,0.0,0.0,0.0,,,,,,,0.0
COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)cc1OC,CID1021370,,,,,0.0,,0.0,0.0,,,,,,,,,
COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2OC)cc1C,CID1264360,,,0.0,,,,,,,,,,0.0,,,,
Cc1ccc(C)c(NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)c1,CID2695295,,,,,,,,,,0.0,,0.0,,,,,0.0
COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(C(C)=O)c2)cc1Cl,CID1243303,,,,,,,,,,,,0.0,,,0.0,,
COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(F)cc2)cc1,CID982320,,,,0.0,,,,0.0,,0.0,,0.0,,0.0,,,0.0
COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2c(F)cccc2F)cc1,CID982324,,,,0.0,0.0,,,0.0,,0.0,,,,,,,0.0
Cc1ccc(S(=O)(=O)NCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1,CID893116,,,,,,,,,,,,,,0.0,,,
COc1cccc(NC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)c1,CID1006519,,,,,,,,,,,,,,,0.0,,
COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(C(C)=O)c2)cc1C,CID2214822,,,,,,,,,0.0,,,,,,,,
CCOc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(C)c1,CID1253634,,,,0.0,,,,,,,,,0.0,,0.0,,
CCN(CC(=O)Nc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1,CID2238736,,,,0.0,,,0.0,,,0.0,,,0.0,,,,
CCOC(=O)c1ccc(NC(=O)CNS(=O)(=O)c2ccccc2)cc1,CID1005458,,,,,,,,,,,,,,0.0,,,
COc1ccc(NC(=O)CNS(=O)(=O)c2ccccc2)cc1Cl,CID2193164,0.0,,,0.0,,,,,,,,,,,,,0.0
CCOC(=O)c1ccc(NC(=O)C(C)NS(=O)(=O)c2ccc(OC)cc2)cc1,CID2969829,,,,,,,,,0.0,,,,,,,0.0,
Cc1ccc(S(=O)(=O)NC(C)C(=O)Nc2ccc(C(N)=O)cc2)cc1,CID2951118,,0.0,,,,,,,,,,,,,,,
COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2SC)cc1Cl,CID1022056,,,,,,,,,0.0,,,,,0.0,,0.0,
COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)Nc2ccccc2OC)c1,CID1022059,,,,,,,,,,,,,,,0.0,0.0,
CCCC(=O)Nc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1,CID2203298,,,,,0.0,,,,0.0,,,,0.0,,,0.0,
CN(CC(=O)Nc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1,CID891802,,,,,,,,,,,,,,,0.0,,
COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)cc1,CID1318352,0.0,,,,0.0,,,,,,,,,,,,
COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccccc2)cc1,CID892280,,,,,,,,,0.0,,0.0,,,,,,
COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2SC)cc1,CID1291266,,,,,0.0,,0.0,,,,0.0,,,,,,
CSc1cccc(NC(=O)C(C)NS(=O)(=O)c2ccc(F)cc2)c1,CID2967311,,,,,,,,,,0.0,0.0,0.0,,,,,
COc1ccc(NC(=O)C(C)NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1Cl,CID2999827,0.0,,,0.0,0.0,,,,0.0,,,0.0,,,,0.0,
CC(=O)Nc1ccc(NC(=O)CNS(=O)(=O)c2ccc(C)cc2)cc1,CID1318207,,,,,,,,,0.0,,,,0.0,0.0,,0.0,
COc1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1,CID2202680,,0.0,,,,,,0.0,,,,0.0,,,,0.0,
COC(=O)c1ccccc1NC(=O)C(C)NS(=O)(=O)c1ccc(OC)cc1,CID2969229,,,,,,,,,0.0,0.0,,,,,,,
CC(C)OC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)o1,CID654204,,,,,,,,,,0.0,,,,,,,
CCN(CC)C(=O)CSc1nnc(-c2cc(OC)cc(OC)c2)o1,CID648967,,0.0,,,,,,0.0,,,,,0.0,,,,
CCN(CC)S(=O)(=O)c1ccc(-c2nnco2)cc1,CID655511,,0.0,,,,,,,,0.0,,,,,,0.0,
C#CCSc1nnc(-c2ccc(OC)cc2)o1,CID1588141,,,,,,0.0,,,,,,0.0,,,0.0,,
COC(=O)CSc1nnc(-c2ccccc2OC)o1,CID747932,,,,,,,,0.0,0.0,,,0.0,,0.0,,,0.0
C#CCSc1nnc(-c2ccc(C)cc2)o1,CID2176450,,,,,,,,,,,,,,,0.0,,
CC(C)C(=O)Nc1nnc(-c2ccccc2)o1,CID4533299,,,,,,,,,,,,,,0.0,,,
Brc1cccc(-c2nnco2)c1,CID978127,0.0,,,,,,0.0,,,,,0.0,,,0.0,,0.0
CCCCNC(=O)Nc1nnc(-c2ccccc2)o1,CID2127579,,,,,,,,,,,,,,0.0,,,
CCCCN(CCCC)C(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1,CID658441,,,,,0.0,,,0.0,,0.0,0.0,,,,,,
COc1cc(OC)cc(-c2nnc(SCC(=O)N(C(C)C)C(C)C)o2)c1,CID651122,,,,,,,0.0,,,,,,0.0,,,,0.0
CCCCNC(=O)Nc1nnc(-c2ccc(OCC)cc2)o1,CID2101504,,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2nnc(NC(=O)C(C)C)o2)cc1,CID4084957,,0.0,,,,,,,,,,,,,0.0,,
Nc1nnc(-c2ccccc2[N+](=O)[O-])o1,CID712042,,,,,,,,,,,,,,,0.0,,
CCCCOC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)o1,CID648545,,,,,,,0.0,,,,,,,,,,
CCOC(=O)CSc1nnc(-c2ccccc2)o1,CID697198,,,,,,,,,,,,0.0,,,,,
COc1ccccc1-c1nnc(SCC(=O)OC(C)C)o1,CID673462,,,0.0,,,,,,0.0,,,0.0,0.0,,0.0,,0.0
CCCCCOC(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1,CID658367,,,,,,,0.0,0.0,,,0.0,,,,,,
COc1ccc(-c2nnc(SCC#N)o2)cc1,CID645177,,0.0,,0.0,,,,0.0,,0.0,,,0.0,,,0.0,
CCCOC(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1,CID2055623,,0.0,,,,0.0,,0.0,,0.0,0.0,,,,,0.0,
CC(C)CCNC(=O)NC(=O)CSc1nnc(-c2ccccc2Br)o1,CID2531489,0.0,,,,,,,,,,,,,,,,
CCOC(=O)CNC(=O)Nc1nnc(-c2ccc(OCC)cc2)o1,CID2127533,,0.0,,,,,,,,,,,,,,,
CCNc1nnc(-c2ccc(C)cc2)o1,CID648303,,,,0.0,,0.0,,0.0,,,,,0.0,,,0.0,
CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SC)o2)cc1,CID860211,,,,,,0.0,,,,0.0,0.0,,,,,,
CCOC(=O)c1nnc(-c2ccccc2)o1,CID651752,,,0.0,,,,,,,,,0.0,,,,,
O=C(O)CSc1nnc(-c2ccccc2)o1,CID351190,,0.0,0.0,,,,,,,,,0.0,,,,,
OCC#CCSc1nnc(-c2ccc(Br)cc2)o1,CID2928538,0.0,,,,,,,,0.0,,,,,0.0,,0.0,
CSc1nnc(-c2ccc(F)cc2)o1,CID650217,,,,,,,,,,,,,,,0.0,0.0,
COc1ccc(-c2nnc(SC)o2)c(OC)c1,CID859571,,,,,,,,,,,,,,0.0,,,
C=CCSc1nnc(-c2ccc([N+](=O)[O-])cc2)o1,CID1981901,,,,,,,,,,,,,,0.0,,,
CCCOC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)o1,CID655952,,,,,,,,,0.0,,,,,,,,
OCC#CCSc1nnc(-c2ccccc2Br)o1,CID2217843,0.0,,,,,,,,0.0,,0.0,,,0.0,,0.0,
CCC(=O)Nc1nnc(-c2ccc(OC)cc2)o1,CID4425060,,,0.0,0.0,,0.0,,,,,,,,,,,
CCOc1ccc(-c2nnc(N)o2)cc1,CID2369673,,0.0,,0.0,,0.0,0.0,,0.0,,,0.0,,0.0,,,
CCOC(=O)CSc1nnc(-c2ccccc2OC)o1,CID779651,,,,0.0,,,0.0,,0.0,,,0.0,0.0,0.0,0.0,,0.0
COc1ccc(-c2nnco2)cc1OC,CID653848,,,0.0,0.0,,,,,,,,,,,,,
COc1cccc(-c2nnc(NC(=O)C(C)C)o2)c1,CID4075245,,,,,,,,,,0.0,,0.0,,,,,
CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(C)=O)o2)cc1,CID1168043,,,,,,,,,0.0,0.0,0.0,,,,,,
CCOC(=O)CSc1nnc(-c2cccc(Br)c2)o1,CID854669,0.0,,,,,,,,0.0,,,,,0.0,,0.0,
CCSc1nnc(-c2ccc(OC)cc2)o1,CID651410,,,,,,,0.0,,,,,0.0,0.0,,0.0,,
COc1ccc(-c2nnc(SCC#CCO)o2)cc1OC,CID665986,,,,0.0,,,0.0,,0.0,,0.0,,0.0,0.0,,,
CN(C)C(=O)Oc1ccc(-c2nnco2)cc1,CID976338,,,0.0,,,,,,,,,,0.0,,,,
COC(=O)CSc1nnc(-c2ccc(OC)cc2OC)o1,CID655275,,,,0.0,,,,,0.0,,,0.0,0.0,0.0,,,
CNC(=O)CSc1nnc(-c2cc(C)cc(C)c2)o1,CID656324,0.0,0.0,,0.0,,,0.0,,,0.0,0.0,,0.0,,0.0,,0.0
CCOC(=O)CSc1nnc(-c2ccc(OC)cc2OC)o1,CID649734,,,0.0,0.0,,,,0.0,0.0,,,0.0,,,0.0,0.0,
CN(C)c1cccc(-c2nnc(SCCCC#N)o2)c1,CID652470,,,,0.0,,,0.0,,,,,,,,0.0,0.0,0.0
COc1cccc(-c2nnc(SCC(=O)N(C(C)C)C(C)C)o2)c1,CID655453,,,0.0,,,,,,,,,,0.0,0.0,,,0.0
CCN(CC)C(=O)CSc1nnc(-c2ccccc2)o1,CID717076,,,,,,,,,,,0.0,0.0,,,,,
CCCOC(=O)CSc1nnc(-c2ccccc2Cl)o1,CID654479,0.0,0.0,0.0,0.0,0.0,0.0,,,,0.0,,,0.0,0.0,,,0.0
CSc1nnc(-c2ccccc2)o1,CID779314,,,0.0,,,,,,,,,,,,0.0,,
CCCCSc1nnc(-c2ccc(C)cc2)o1,CID2188596,,,,,,,,,,,,,,,,,0.0
CSc1nnc(-c2ccc(Cl)cc2Cl)o1,CID742487,,,,,,,,,,,,0.0,,,,,
CCSc1nnc(-c2ccccc2SC)o1,CID1484210,,,,,,,,,,,,,,,0.0,,
COc1cccc(-c2nnc(NC(C)=O)o2)c1,CID4458126,,,,,,,,0.0,,,,,,,,0.0,
CCN(CC)C(=O)CSc1nnc(-c2cccc(OC)c2)o1,CID645909,0.0,,,,,,0.0,,,,0.0,,,,,0.0,
COc1ccc(-c2nnc(SCC(=O)/C(C#N)=C(\C)N)o2)cc1,CID5742479,,,0.0,,,,,,,,,,,,,,
COc1ccc(-c2nnc(SC(C)C#N)o2)cc1,CID2998471,,,,0.0,,,,,,,,0.0,,,,,0.0
CSc1nnc(-c2ccc(C)cc2)o1,CID779983,,,,,,0.0,,,,,,,,,,,
CCS(=O)(=O)Nc1ccc(-c2nnc(SCC(=O)OC)o2)cc1,CID647980,,,,,0.0,0.0,0.0,,,,,0.0,,,,0.0,
COC(=O)Sc1nnc(-c2ccc(Br)cc2)o1,CID741378,0.0,,,,,,,,,,,,,,,,
CCCCOC(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1,CID649054,,,,,,,,0.0,,,,,,0.0,,,
CCCNCc1nnc(-c2ccccc2Cl)o1,CID2530279,,,,,,,,,,,,,,,0.0,,
ClCc1nnc(-c2ccccc2)o1,CID314941,,,,,,,,,,,,,,0.0,,,
C/C(N)=C(/C#N)C(=O)CSc1nnc(-c2ccc(OC(F)F)cc2)o1,CID5742542,,,,,,,,,,1.0,,,,,,0.0,
COc1cc(-c2nnc(SCC#CCO)o2)cc(OC)c1OC,CID666427,,,0.0,,,,,,,,0.0,,0.0,0.0,,0.0,
CCOC(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1,CID330196,,,,,,,,,,,,,,0.0,0.0,,
O=C(O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1,CID757559,,,,,,,,,0.0,,,,,,,,
CN(CCC#N)C(=O)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1,CID3244066,,,,,,0.0,,,,,0.0,,,,,,
NC(=O)CCN(Cc1ccccc1)S(=O)(=O)c1ccccc1,CID808580,,,,0.0,0.0,,0.0,0.0,0.0,,,,,,,0.0,0.0
Cc1ccc(S(=O)(=O)N(CC(=O)O)Cc2ccccc2F)cc1,CID888544,,0.0,0.0,,,,,,,,,,,,,,
COc1ccc(Br)cc1S(=O)(=O)NCc1ccccc1,CID1073736,,,,,,,,,,,,,,0.0,,,
CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C)cc2)cc1,CID669174,,,,,,,,,0.0,,,,,,,,
CCCOc1ccc(S(=O)(=O)NCc2ccc(OC)cc2)cc1,CID1870954,,,,,,,,,,,,,,0.0,,0.0,
CN(Cc1ccccc1)S(=O)(=O)c1cccc(C(=O)O)c1,CID2422970,,,,,,,,,,,,,,,0.0,,
CCCOc1ccc(C(CC(=O)O)NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1,CID3242732,,,,,0.0,,,0.0,0.0,,,,0.0,,,,
CCOc1ccc(C(CC(=O)O)NS(=O)(=O)c2ccc(C)cc2)cc1OC,CID3237468,,0.0,,0.0,,,,,,,,,0.0,,,0.0,0.0
CSc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1,CID973513,,,,,,,,,0.0,,,,,0.0,,,
CCOC(=O)C(C)(C)N(Cc1cccc(C)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1,CID12005643,,,,,,,,,,,,,,0.0,,,
COc1ccccc1CNS(=O)(=O)c1cc(C)ccc1OC,CID934660,,,,0.0,0.0,,,0.0,,,,,,,,,
CNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1,CID795181,,,0.0,,,,0.0,,,,,,,,,,0.0
O=CNc1ccc(S(=O)(=O)NCc2ccccc2)cc1,CID888833,,,,,,,,,,,0.0,,,,,,
CCOc1cc(S(=O)(=O)NCc2ccccc2)ccc1F,CID2980747,,,,,,,,,,,0.0,,0.0,,,,0.0
COc1ccc(S(=O)(=O)NCc2ccc(C)cc2)cc1,CID743491,,,,,,,,,,,,,,0.0,,,
COCCCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1,CID3245377,,,,,0.0,,,,0.0,,,,,,,0.0,
COCCCNC(=O)CC(NS(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1,CID5045955,,,,,,,,,0.0,0.0,,,,0.0,,,
CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccccc2)C(C)C)cc1,CID669165,,,,,,,,,0.0,,,,,,,,
COc1ccccc1CNS(=O)(=O)c1ccc(NC(C)=O)cc1,CID669164,,,,,0.0,,0.0,0.0,0.0,,,,0.0,,,,
CC(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1,CID779504,,,,,,0.0,,,,,,,,,,,
CC(C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1,CID3236158,0.0,,0.0,,,,,,0.0,,0.0,,,,,,
O=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)NCCCO,CID2715890,,,,,,,,,,,,,0.0,,,,0.0
O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1ccc(F)cc1,CID2261656,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)N(CC(=O)O)Cc2ccccc2)cc1,CID294713,,,,,,,,,,,,0.0,,0.0,,0.0,
COc1ccc(C)cc1S(=O)(=O)N(CC(N)=O)Cc1ccccc1,CID2302041,,,,,0.0,,,,0.0,,,,,,,,
COc1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1OC,CID769005,,,,,,,,,,,,,,,0.0,,
COC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1,CID1237650,,,,,,,0.0,,,,,,,,,0.0,
COc1ccc(C(=O)NCCNC(C)=O)cc1S(=O)(=O)NCc1ccc(Cl)cc1,CID2538604,0.0,,0.0,0.0,0.0,,,,0.0,,,0.0,,,,,
CSc1ccc(S(=O)(=O)NCc2ccccc2C)cc1,CID789722,,,,,,0.0,,,,,,,,,0.0,,
COCCCNC(=O)CC(NS(=O)(=O)c1ccc(OC)cc1)c1ccc(OC)cc1,CID3242724,,,,,0.0,,,0.0,0.0,,,,,,,,
CSc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1,CID2226285,,,,,,,,,0.0,,,,,,0.0,0.0,
COc1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1,CID779351,,,,,,0.0,,,,,,,,,,,
COc1ccc(S(=O)(=O)NCc2ccccc2)cc1,CID741351,,,,,,,,,,,,,,0.0,,,
COc1ccc(CNS(=O)(=O)c2ccc(OC)cc2)cc1,CID741350,,,0.0,0.0,0.0,0.0,0.0,,0.0,,,,,,,,
COc1ccccc1CNS(=O)(=O)c1ccc(C)cc1,CID795253,,,,,,,,,,0.0,0.0,0.0,,0.0,,,
CCOC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(C)=O)cc1,CID3239570,,,,,,,,0.0,,,,,,,,0.0,
Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)N(C)CCC#N)cc2)cc1,CID3238136,,,,0.0,,0.0,,,,,0.0,,,,,0.0,0.0
O=C(O)CCCN(Cc1cccc(Br)c1)S(=O)(=O)c1ccc(F)cc1,CID3701529,,,,,,,,,,,,,,0.0,,,
CSc1ccc(S(=O)(=O)NCc2ccccc2)cc1,CID967740,,,,,,,,,,,,,,0.0,,,
COc1ccc(S(=O)(=O)N(CC(=O)NC(C)C)Cc2ccccc2)cc1,CID3121374,,,,,,,,,0.0,,,,,,,,
CN(Cc1ccccc1)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1,CID1025592,,,,,0.0,,,,0.0,,0.0,,0.0,0.0,,,
CSc1ccc(S(=O)(=O)NCc2ccc(C)cc2)cc1,CID1251487,,,,,,0.0,,,,,,,,0.0,,,
COc1cc(C)c(Br)cc1S(=O)(=O)NCc1ccccc1,CID1258225,,,,,,,,,,,,,,0.0,,,
COc1ccc(S(=O)(=O)N(CC(=O)O)Cc2ccccc2)cc1OC,CID1355237,,,,,,,0.0,,,,,,,,,,
COc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1OC,CID888457,0.0,,,0.0,,,,,,,0.0,,,,,,0.0
CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)O)ccc1OC,CID2375908,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(CC(=O)O)NS(=O)(=O)c2ccc(C)cc2)cc1OC,CID651622,,,,,,,0.0,0.0,,0.0,,,,,,0.0,
CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1,CID990984,,,,,,,,,0.0,,,,,,,,0.0
COc1cc(S(=O)(=O)NCc2ccccc2)ccc1F,CID700246,,,,,,,0.0,0.0,,,0.0,0.0,,,,,0.0
CCc1ccc(S(=O)(=O)NC(CC(=O)O)c2ccccc2)cc1,CID2862672,,,0.0,,,,,0.0,,,,,,,,,
Cc1ccc(S(=O)(=O)NC(CC(=O)O)c2ccccc2)cc1,CID2834575,,,,,,,0.0,,0.0,,,,,,,0.0,
COc1ccc(S(=O)(=O)NCc2ccc(C(=O)O)cc2)cc1,CID3244452,,0.0,,,,,0.0,0.0,,,,,0.0,,,0.0,
CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)O)Cc2ccccc2)cc1,CID1119908,,,,,,,,,,,,,,,,0.0,
CC(=O)Nc1ccc(S(=O)(=O)N(CCO)Cc2ccccc2)cc1,CID749169,,,,,,,,,0.0,,,,,,,,
CCOC(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1,CID571682,,,,0.0,0.0,,,0.0,0.0,,0.0,,,0.0,,0.0,
COc1ccc(OC)c(S(=O)(=O)NCc2ccccc2)c1,CID741450,,,0.0,0.0,0.0,,,,0.0,,,,,,,,
CCN(CC)C(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1,CID2583924,,,,,,,,,0.0,,,,,,,,0.0
CCOC(=O)CC(NS(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccc(OCC)cc1,CID3243338,,,,,0.0,,,0.0,,,,0.0,,,,,
Cc1ccc(S(=O)(=O)NC(CC(=O)O)c2ccccc2)c(C)c1,CID3238219,,,,,,,,0.0,0.0,,,,,,,,0.0
CCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1,CID2252415,0.0,,,,,,0.0,,0.0,,,0.0,,,,,0.0
O=S(=O)(NCc1ccccc1)c1ccc(Cl)cc1,CID346194,,,,,,,,,,,,,,0.0,,,
CN(Cc1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-],CID818671,,,,,,,,,,,,,,0.0,0.0,,
CC(=O)Nc1ccc(S(=O)(=O)NC(CC(=O)O)c2ccc(OC(C)C)cc2)cc1,CID3237642,,,0.0,,0.0,,,,0.0,,,,0.0,,,,
COC(=O)C(NS(=O)(=O)c1ccc(C)cc1)c1ccccc1,CID2765029,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)NN)cc1COc1ccc(Br)cc1,CID998204,,,,,,,,,,,,0.0,,,0.0,,
COc1ccc(OCc2ccc(C(=O)O)cc2)cc1,CID649175,,,,,,,,0.0,0.0,,0.0,,,0.0,,,
O=C(O)c1ccccc1COc1ccccc1Cl,CID847923,,,,,,,,,,0.0,,,0.0,0.0,,,0.0
O=C(O)c1cc(/C=N/O)ccc1OCc1ccccc1,CID898098,,,,,,,,,,,,,,,,0.0,
O=C(O)/C=C/c1cccc(OCc2ccccc2)c1,CID717814,,,,,,,,,,,,,,0.0,,,
O/N=C/c1cc(Br)ccc1OCc1ccc(F)cc1,CID798487,,,,,,,,,,,,0.0,,,,,
COC(=O)C(=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1)C(=O)OC,CID1274511,,,,,,,,,,,,,,,0.0,,
CCC(C)NC(=O)c1ccc(COc2ccccc2Cl)cc1,CID2941174,,,,,,,,,,,,,,0.0,,,
CNC(=S)N/N=C/c1ccc(OCc2ccccc2)c(Br)c1,CID1209480,,,,,,,,,,,,,,0.0,,,
CS(=O)(=O)Nc1ccc(OCc2ccccc2)cc1,CID669037,,,,,0.0,,,,,,,,,0.0,,,
O=C(O)c1ccc(COc2cccc(CO)c2)cc1,CID893436,,,,,,,,,0.0,,,,0.0,0.0,,,
O=C(O)/C=C/c1ccc(OCc2cccc(F)c2)cc1,CID877628,,,,,,,,,,,,,,,0.0,,
COC(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O,CID967602,,,,,,,,,,,,,,0.0,,,
COc1cc(/C=C/C(=O)O)ccc1OCc1ccc([N+](=O)[O-])cc1,CID716344,,,,,,,,,,,,,,0.0,,,
CCN(CC)C(=O)c1ccc(COc2ccccc2Cl)cc1,CID892992,,,,,,,,,,,,,,0.0,,,
CC(C)(C)NCC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1,CID3104443,,,,,,,,,,,,,,0.0,,,
COc1cc(C(N)=O)ccc1OCc1ccccc1,CID977097,,,0.0,0.0,,,,,,0.0,0.0,0.0,,,,0.0,0.0
CCC(=O)c1ccc(OCc2ccc(C(=O)OC)cc2)c(OC)c1,CID2244181,,,,,,,,,,,,,,,0.0,,
COc1ccc(/C=C/C(=O)O)cc1COc1ccccc1C,CID843234,,,,,,,,,,,,,,0.0,,,
NNC(=O)c1cccc(COc2cccc(Br)c2)c1,CID843238,,,,,,,,,,,,0.0,,,,,
CC(=O)Nc1ccc(OCc2cccc([N+](=O)[O-])c2)cc1,CID895000,,,,,,,,,,,,,,,0.0,,
COc1cc(/C=C/C(=O)O)ccc1OCc1ccccc1C#N,CID900844,,,,,,,,,,,,,,,0.0,,
CC(C)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1,CID814843,,,,,,,,,,,,0.0,,,,,
CCOC(=O)C(C)Oc1ccc(OCc2ccccc2)cc1,CID3516602,,,,,,,,,,,,,,,0.0,,
O/N=C/c1ccc(OCc2ccccc2)c(Cl)c1,CID1122140,,,,,,,,,,,,,,0.0,,,
COc1cc(/C=N/O)ccc1OCc1ccc(C(=O)O)cc1,CID659518,,0.0,,,,,,,,,,,,,,,
CNCCC(Oc1ccccc1C)c1ccccc1,CID6850813,,,,,,,,0.0,,,,,,,,,
COc1ccc(/C=N/O)cc1COc1ccc(NC(C)=O)cc1,CID805851,0.0,,,0.0,,,0.0,0.0,0.0,0.0,,0.0,0.0,,,,0.0
N#Cc1ccccc1COc1ccc(/C=C/C(=O)O)cc1,CID900837,,,,,,,,,,,,,,,0.0,,
NC(CC(=O)O)c1cccc(OCc2ccccc2)c1,CID3239719,,,0.0,,0.0,,,,,0.0,,,,,,,0.0
COc1cc(/C=C/C(=O)NC(C)C)ccc1OCc1ccccc1,CID731219,,,,,,,,,,,,,,0.0,,,
Cc1ccc(COc2ccc(Br)cc2/C=N/O)cc1,CID798026,,,,,,,,,,,,0.0,,,,,
O=C(O)c1cccc(COc2ccc(CO)cc2Cl)c1,CID893460,,0.0,,,,,,,,,,,,,,,0.0
CN(CCC#N)C(=O)COC(=O)c1ccccc1OCc1ccccc1Cl,CID2400310,,,,,,,,,,,,,,0.0,,,
CCOc1cc(/C=N/O)ccc1OCc1ccc(F)cc1,CID1122291,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(C)=O)cc1COc1ccccc1[N+](=O)[O-],CID2500369,,,,,,,,,,,,,,0.0,,,
CCOCCCNCc1cc(Br)ccc1OCc1ccccc1,CID1814803,,,,,,,,,,,,,,,0.0,,
O=C(O)c1ccc(COc2ccc(CO)cc2Cl)cc1,CID894095,,0.0,,0.0,,,,,,,,,,0.0,,,0.0
O/N=C/c1cc(Br)ccc1OCc1cccc(F)c1,CID1122581,,,,,,,,,,,,,,,0.0,,
Cc1ccc(COc2ccc(C(=O)NN)cc2)cc1,CID1490262,,,,,,,,,,,,,,,0.0,,
CCC(=O)c1ccc(OCc2ccc(C#N)cc2)cc1,CID2109847,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(OCc2cccc(C(=O)O)c2)cc1,CID891145,,,,,,,,,,,,,,0.0,,,
O=C(O)c1ccc(COc2ccccc2Cl)cc1,CID661071,,,,,,,,,,,,,,,,,0.0
COc1cc(/C=N/N=C(N)N)ccc1OCc1ccccc1Cl,CID2269895,,,,,,,,,,,,,,0.0,,,
CCC(C)/C(C)=N/NC(=O)c1ccc(COc2ccc(Cl)c(C)c2)cc1,CID3577149,,,,,,,,,,,,,,,0.0,,
O=C(O)c1cccc(COc2ccccc2Cl)c1,CID584778,,0.0,,,,,,,,,,,0.0,0.0,,,0.0
CCOc1cc(C(=O)NC)cc(Br)c1OCc1ccccc1,CID1248235,,,,,,,,,,,,,,,0.0,,
O=C(O)c1cccc(OCc2ccccc2Cl)c1,CID663786,,,,,,,,,,,,,,,0.0,,
O/N=C/c1ccccc1OCc1ccccc1Cl,CID807967,,,,,,,,,,,,0.0,,0.0,,,
COc1ccc(C=O)cc1COc1ccc(C)cc1[N+](=O)[O-],CID673671,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(OCc2cccc(C(=O)O)c2)cc1,CID3238641,,,,,,,,,,,,,,,,,0.0
CNCc1ccc(OCc2ccccc2)c(OC)c1,CID964722,,,,0.0,,,,,,,,,0.0,,,,
CC(=O)c1ccc(OCc2ccccc2)c(C)c1O,CID736185,,,,,,,,,,,,,,0.0,,,
COC(=O)Nc1ccc(OCc2ccccc2)cc1,CID894605,,,0.0,0.0,,,,,0.0,0.0,0.0,,,,,0.0,
Nc1ccc(OCc2ccccc2)cc1,CID22860,,,,0.0,,,,,,0.0,,0.0,0.0,,,,
CCN(CC)C(=O)C(=O)Nc1ccc(OCc2ccccc2)cc1,CID2196920,,,,,,,,,,,,,,0.0,,,
COc1ccc(C=O)cc1COc1ccc([N+](=O)[O-])c(C)c1,CID590887,,,,,,,,,,,,,,0.0,,,
CCC(=O)c1ccc(OCc2ccc(C(=O)OC)cc2)cc1,CID877977,,,,,,,,,,,,,,0.0,,,
CNC(=O)c1ccc(OCc2ccccc2)c(OC)c1,CID934640,,0.0,,,,,,0.0,0.0,0.0,0.0,0.0,,,,0.0,0.0
NNC(=O)c1cccc(COc2ccccc2Br)c1,CID840776,,,,,,,,,,,,0.0,,,,,
O=[N+]([O-])c1ccc(COc2ccccc2/C=N/O)cc1,CID808382,,,,,,,,,,,,,,,0.0,,
C=CCc1cc(C=O)cc(OCC)c1OCc1ccc(Cl)cc1,CID882975,,,,,,,,,,,,,,0.0,,,
COC(=O)c1cc(O)c(OCc2ccccc2)c(O)c1,CID699167,,,,0.0,0.0,,,,,,,,,,,,
COc1cc(/C=C/[N+](=O)[O-])ccc1OCc1cccc(C(=O)O)c1,CID881472,,,,,,,,,,,,,,,0.0,,
COCCNC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)cc1,CID5766352,,,,,,,,,,,,,,,0.0,,
COc1ccc(N2C(=O)C3CCCN3C2c2cccc(Br)c2)cc1,CID5307396,0.0,,,,,,,,,,,0.0,,,,0.0,
CCOc1ccc(C2N(c3ccc(OC)cc3)C(=O)C3CCCN32)cc1OC,CID5307539,,,0.0,,,,,0.0,,,,,,,,,
COc1cc(C2N(c3cccc(Cl)c3)C(=O)C3CCCN32)cc(OC)c1OC,CID5309944,,,,,,,,,,,,,,,,0.0,0.0
COc1ccc(N2C(=O)C3CCCN3C2c2cc(OC)c(OC)cc2OC)cc1,CID5309946,,,,0.0,,,,,,,,,0.0,,,,
O=C1C2CCCN2C(c2ccccc2)N1c1ccc(Cl)cc1,CID3239489,0.0,,,,,,,,,,,0.0,0.0,,,,
COc1ccc(C2N(c3cc(Cl)ccc3OC)C(=O)C3CCCN32)cc1OC,CID5307212,,,,,,0.0,,,,,,,,,,,
COc1ccc(N2C(=O)C3CCCN3C2c2ccccc2OC)cc1,CID5307211,,,0.0,,,0.0,,,,,,,,,,,
COc1ccccc1C1N(c2ccc(F)cc2)C(=O)C2CCCN21,CID3244969,,,,0.0,,,,,,,,,,,,,
CCOc1ccccc1C1N(c2ccc(OC)cc2)C(=O)C2CCCN21,CID5308809,,,0.0,,,,,,,,,,0.0,,,,
COc1ccc(C2N(c3ccc(OC)cc3)C(=O)C3CCCN32)cc1,CID5307733,,,,,,0.0,0.0,,,,,,,,,,0.0
O=C1C2CCCN2C(c2ccc(F)cc2)N1c1ccc(Cl)cc1,CID5307424,0.0,,,0.0,,,,,,,,,,,,,
O=C1C2CCCN2C(c2ccccc2F)N1c1cccc(Cl)c1,CID5308424,0.0,0.0,,,,,,,,,,,0.0,,,,
CCOc1ccc(C2N(c3cc(Cl)ccc3OC)C(=O)C3CCCN32)cc1OC,CID5307379,,,0.0,,,,,,,,,,,,,,0.0
COc1cc(OC)c(C2N(c3ccc(Cl)c(Cl)c3)C(=O)C3CCCN32)cc1OC,CID3240636,0.0,,,,,,,,,,,,,0.0,,,
COc1ccc(Cl)cc1N1C(=O)C2CCCN2C1c1cccc(F)c1,CID5309587,,0.0,,,,0.0,,,,,,,0.0,,,,
CCc1ccc(C2N(c3ccc(OC)cc3)C(=O)C3CCCN32)cc1,CID5309466,,,,0.0,,0.0,,,,,,,,,,,
COc1ccc(C2N(c3cccc(Cl)c3)C(=O)C3CCCN32)cc1,CID5308204,0.0,0.0,,,,,0.0,,,,,,,,,,
COc1ccc(N2C(=O)C3CCCN3C2c2ccccc2Cl)cc1,CID5308116,0.0,,0.0,,,,,,,,,,0.0,,0.0,,
COc1cccc(C2N(c3cccc(Cl)c3)C(=O)C3CCCN32)c1OC,CID5309719,0.0,,,,,0.0,,,,,,,,,,,0.0
COc1ccc(N2C(=O)C3CCCN3C2c2cccc(OC)c2OC)cc1,CID5308446,,,,,,,,0.0,,,,,,,,,
COc1ccc(N2C(=O)C3CCCN3C2c2ccc(C)cc2)cc1,CID5308445,,,,,,,0.0,0.0,,,,0.0,,,,,
COc1ccc(N2C(=O)C3CCCN3C2c2cccc(C)c2)cc1Cl,CID3241338,0.0,0.0,,,,,,,,,,,,,,,0.0
COc1ccc(N2C(=O)C3CCCN3C2c2ccccc2)cc1Cl,CID3237912,0.0,,,,,,,,,,,,,,,,0.0
O=C1C2CCCN2C(c2cccc(Br)c2)N1c1ccc(F)cc1,CID5308261,0.0,,,,,,,,,,,,,,,,
CCOc1ccc(C2N(c3ccc(F)cc3)C(=O)C3CCCN32)cc1OC,CID5308595,,,,,,0.0,,,,,,,,,,,
O=C1C2CCCN2C(c2ccccc2F)N1c1ccc(Cl)cc1,CID3237903,0.0,,,0.0,,,,,,,,,,,,,
COc1ccc(N2C(=O)C3CCCN3C2c2ccccc2)cc1,CID5308789,,,,,,0.0,,0.0,,,,,,,,,
O=C1C2CCCN2C(c2ccccc2)N1c1cccc(Cl)c1,CID5308786,0.0,,,,,0.0,,,,,,,0.0,,,,
COc1ccc(Cl)cc1N1C(=O)C2CCCN2C1c1ccccc1F,CID5309422,,,,,,,,,,,,,,,0.0,,
COc1ccc(C2N(c3ccc(F)cc3)C(=O)C3CCCN32)cc1,CID5308770,,,,0.0,,,,0.0,,,,,,,,,
COc1cccc(N2C(=O)C3CCCN3C2c2ccc(N(C)C)cc2)c1,CID5308928,,,0.0,,,,,,,,,,,,,,
CN(C)c1ccc(C2N(c3ccc(F)cc3)C(=O)C3CCCN32)cc1,CID5309937,,,,,,,,0.0,,,,,,,0.0,,
CN(C)c1ccc(C2N(c3ccc(Cl)cc3)C(=O)C3CCCN32)cc1,CID5307876,0.0,,,,,,,,,,,,0.0,,,,
O=C1C2CCCN2C(c2cccc(F)c2)N1c1cccc(Cl)c1,CID5307898,0.0,,,,,,0.0,,,,,,,,,,
COc1ccc(C2N(c3ccc(Cl)cc3)C(=O)C3CCCN32)cc1,CID5307754,0.0,,,,,,,,0.0,,,,,,,,
COc1cccc(N2C(=O)C3CCCN3C2c2ccc(Cl)cc2)c1,CID5309128,0.0,,,0.0,,0.0,,,,,,,,,,,
COc1ccc(N2C(=O)C3CCCN3C2c2ccc(C)cc2)cc1Cl,CID3238522,,,,,,0.0,0.0,,,,0.0,,0.0,,,,
O=C1C2CCCN2C(c2ccccc2)N1c1ccc(F)cc1,CID5309449,,,,,,,,0.0,,,,,0.0,,,,
COc1ccc(N2C(=O)C3CCCN3C2c2cccc(F)c2)cc1Cl,CID3241638,,,,,,,,,,,,,,,,,0.0
COc1ccc(OC)c(C2N(c3ccc(Cl)cc3)C(=O)C3CCCN32)c1,CID3241630,0.0,,,0.0,,,0.0,,,,,,,,,,0.0
CN(C)c1ccc(C2N(c3cccc(Cl)c3)C(=O)C3CCCN32)cc1,CID5308552,0.0,,,,,,,,,0.0,,,,,,,
O=C1C2CCCN2C(c2ccc(F)cc2)N1c1cccc(Cl)c1,CID5308070,0.0,,0.0,,,,,,,,,0.0,,0.0,,,0.0
CCOc1ccc(C2N(c3ccc(Cl)cc3)C(=O)C3CCCN32)cc1OC,CID5307554,0.0,,,0.0,,,,,,,,,0.0,,,,
COc1ccc(N2C(=O)C3CCCN3C2c2cc(OC)c(OC)c(OC)c2)cc1,CID5307889,,,,0.0,,,,,,,,,,,,,
COc1ccc(N2C(=O)C3CCCN3C2c2ccc(Cl)cc2)cc1,CID5307884,0.0,,,,,,,,,,,,,,,,
COc1cccc(N2C(=O)C3CCCN3C2c2ccc(F)cc2)c1,CID3240015,,,,,,0.0,,0.0,,,,,0.0,,,,
COc1cccc(C2N(c3cccc(Cl)c3)C(=O)C3CCCN32)c1,CID5307190,0.0,,,,,,,,,,,,,,,,
COc1ccc(C2N(c3cc(Cl)ccc3OC)C(=O)C3CCCN32)c(OC)c1,CID5309271,,,,,,,,,,,0.0,,,,,0.0,
COc1ccc(Cl)cc1N1C(=O)C2CCCN2C1c1ccc(F)cc1,CID5309103,,,,0.0,,0.0,0.0,,,,,,,,,,
CCOc1ccc(C2N(c3ccc(F)cc3)C(=O)C3CCCN32)cc1,CID5309611,,,,,,0.0,,0.0,,,,,,,,,
COc1cccc(C2N(c3ccc(Cl)cc3)C(=O)C3CCCN32)c1,CID5309764,0.0,,,,,,,,,,,,0.0,,,,
CCOc1ccccc1C1N(c2ccc(F)cc2)C(=O)C2CCCN21,CID3238856,,,,0.0,,,,,,,,,,,,,
COc1cc(OC)c(C2N(c3ccc(Cl)cc3)C(=O)C3CCCN32)cc1OC,CID5307208,,,,,,,,,,,,0.0,,,,0.0,
COc1ccc(N2C(=O)C3CCCN3C2c2cccc(OC)c2)cc1,CID5308582,,,0.0,,,,,0.0,,,,,,,,,
COc1ccc(C2N(c3cc(Cl)ccc3OC)C(=O)C3CCCN32)cc1,CID5309733,,,0.0,,,0.0,,,0.0,,,,,,,,
COc1cc(C2N(c3ccc(Cl)cc3)C(=O)C3CCCN32)cc(OC)c1OC,CID5309786,,,,,,0.0,,,,,,,,,,,
COc1cc(C2N(c3ccc(Cl)c(Cl)c3)C(=O)C3CCCN32)cc(OC)c1OC,CID3243341,0.0,,,,,,,,,,,,0.0,,,,
O=C1C2CCCN2C(c2ccc(Br)cc2)N1c1ccc(F)cc1,CID5309111,0.0,,,,,,,,,,,,,,,,0.0
COc1ccc(N2C(=O)C3CCCN3C2c2cccc(C)c2)cc1,CID5308246,,,0.0,,,0.0,0.0,0.0,,,,,,,,,
O=C1C2CCCN2C(c2ccc(F)c(F)c2)N1c1cccc(Cl)c1,CID5308436,,,,,,,0.0,,,,,,,,,0.0,
COc1cccc(C2N(c3ccc(Cl)c(Cl)c3)C(=O)C3CCCN32)c1OC,CID3242748,0.0,,,,,,,,,,,,,,,,
COc1ccccc1C1N(c2ccc(Cl)cc2)C(=O)C2CCCN21,CID3237298,0.0,0.0,,,,,0.0,,,,,,,,,,0.0
COc1ccc(N2C(=O)C3CCCN3C2c2ccccc2F)cc1,CID5309750,,,,,,,,,,,,,,0.0,,0.0,
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)C1c1ccccc1,CID5767764,,,,,,,,,,,,,,,,0.0,
COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)C2c2ccc(OC)c(OC)c2)c(C)c1,CID6138846,,,,,,,,0.0,,,,,0.0,,,,
COc1ccc(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)C2c2cccc(OC)c2OC)cc1,CID5389210,,,,,,,,0.0,,,,,,,,,
COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCC(=O)O)C2c2ccc(OC)c(OC)c2)cc1,CID5768711,,,,,,,,0.0,,,,,,,,,
CCOc1ccc(C2/C(=C(/O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCN(C)C)cc1OC,CID5389467,,0.0,,,,0.0,,,,,,,,,,,
COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)C2c2ccc(C)cc2)cc1Cl,CID5389464,,,,,,0.0,0.0,,0.0,,,,0.0,,,,
COc1ccc(C2/C(=C(/O)c3ccc(C)cc3)C(=O)C(=O)N2C)cc1,CID5286365,0.0,,,,,,,,,,0.0,,,,,,
COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN(C)C)C2c2cccc(Cl)c2)cc1OC,CID5389317,,,,,,,0.0,,,,,,,,,,
CCOc1ccc(C2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2CCCN(C)C)cc1,CID5389242,,,,,,,,,,,0.0,,0.0,,,,
COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN(C)C)C2c2ccccc2)cc1OC,CID5389335,,,,,,,,0.0,,,,,,,,,
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC(C)C)cc2)C1c1ccc(O)c(OC)c1,CID5389811,,,,,,,0.0,,,,,,,,,,
CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCOCCO)C2c2ccc(F)cc2)cc1,CID5389582,,,,,,,,0.0,,0.0,,,,,,,
CCN(CC)S(=O)(=O)c1ccc(/C(O)=C2/C(=O)C(=O)N(CCOC)C2c2ccccc2)cc1,CID5389921,,,,,,,,,,,,,0.0,,,,
COc1ccc(C2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2CC(C)O)c(OC)c1,CID5771276,,,,,,0.0,,0.0,,,,,,,0.0,,
CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)C1c1cc(OC)ccc1OC,CID5389399,,,,,,,0.0,0.0,,,,,,,,,
Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CC(C)O)C2c2ccc(N(C)C)cc2)cc1,CID5903185,,,,,,0.0,,,,,,,,,,,
CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)C1c1ccccc1F,CID5310785,,,,,,0.0,,,,,,,,,,,
COCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)C1c1ccccc1OC,CID5290611,,,,,,0.0,,,,,,,,,,,
COc1ccc(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)C2c2cc(OC)c(OC)c(OC)c2)c(C)c1,CID5768066,,,,,,,,0.0,,,,,,,,,
COc1ccccc1C1/C(=C(/O)c2ccccc2)C(=O)C(=O)N1CC(C)O,CID5771369,,,,,,,,,,,,,0.0,,,,
O=C1C(=O)N(CCO)C(c2cccc(F)c2)/C1=C(\O)c1ccc(Cl)cc1,CID5771302,,,,,,,,,,,,,,,,0.0,0.0
COc1cc(C2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2CCCC(=O)O)ccc1O,CID5771479,,,,,,,,0.0,,,,,,,0.0,,
CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCOCCO)C2c2ccccc2)cc1,CID5389656,,,,,,0.0,0.0,,,,,,,,,,
O=C1C(=O)N(CCO)C(c2ccccc2)/C1=C(\O)c1ccccc1,CID5308306,,,,,,0.0,0.0,0.0,,,,,,,,0.0,0.0
CCCOc1cccc(C2/C(=C(/O)c3ccc(OC)cc3)C(=O)C(=O)N2CCN(C)C)c1,CID5389417,,,,,,0.0,,0.0,,,0.0,,,,,0.0,
COc1cccc(C2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2CCN(C)C)c1,CID5310810,,,,0.0,,,,0.0,,,,,0.0,,,,
CCCOc1ccc(C2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2CCCN(C)C)cc1OC,CID5389375,,,,0.0,,,,0.0,,,,,,,,,
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)C1c1ccc(N(C)C)cc1,CID5291572,,,,0.0,,,,,,,,0.0,,,,,
COc1ccccc1C1/C(=C(/O)c2ccc(C)cc2)C(=O)C(=O)N1CC(C)O,CID5768475,,,0.0,,,0.0,,,,,,,,,,,
COc1cc(C2/C(=C(/O)c3ccc(OCC(C)C)cc3)C(=O)C(=O)N2CCN(C)C)ccc1O,CID5389770,,,,,,,,0.0,,,,,,,0.0,,
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)cc2)C1c1ccc(O)c(OC)c1,CID5742457,,,,,,,,,,,0.0,,,,,0.0,
CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)C2c2ccc(O)c(OC)c2)cc1,CID5389888,,,,,,,,0.0,,0.0,,,,,,,
COc1ccc(C2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2CCO)cc1,CID5310622,,,,,,,,0.0,,,,,,0.0,,,
COc1ccc(OC)c(C2/C(=C(\O)c3ccc(OC)c(Cl)c3)C(=O)C(=O)N2CCN(C)C)c1,CID5389364,,,0.0,,,,,,,0.0,,,,,,,
CCCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)C2c2ccc(O)c(OC)c2)cc1,CID5389769,,,,,,,,0.0,,,,,,,,,0.0
O=C(O)CCCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)C1c1ccccc1,CID5310646,,,,,,,,0.0,,,,,0.0,,,,
COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)C2c2ccc(F)cc2)cc1Cl,CID5389456,,,,,,,,,,,,,,0.0,,,
COc1ccc(C2/C(=C(\O)c3ccc(OC)c(Cl)c3)C(=O)C(=O)N2CCN(C)C)cc1,CID5389454,,,,,,,,,0.0,0.0,,,,,,,
CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(F)cc2)C1c1ccccc1,CID5389270,,,0.0,,,,,,,,,,,,,,
CC(C)Oc1ccc(C2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2CCCN(C)C)cc1,CID5389893,,,,,,,0.0,,,0.0,,,,,,,0.0
Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CC(C)O)C2c2cccc(F)c2)cc1,CID5941946,,,0.0,0.0,,,,,,,,,0.0,,,,
CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)C2c2cc(OC)ccc2OC)cc1Cl,CID5739357,,,,,,,,,,0.0,,,0.0,,,,
Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)C2c2ccccc2F)cc1,CID5310631,,,,,,,,0.0,,,,,,,,,
COC(=O)c1ccc(C2/C(=C(\O)c3cccc(OC)c3)C(=O)C(=O)N2CCCN(C)C)cc1,CID5389307,,,,,,,0.0,0.0,,0.0,,,,,,,
CCCOc1cccc(C2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2CCN(C)C)c1,CID5389403,,,,0.0,,,,,,,,,,,,0.0,
COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)C2c2ccccc2)cc1Cl,CID5310702,,,,,,,,,,,,,0.0,,,,
CCOc1cc(C2/C(=C(/O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCCOC)ccc1O,CID5389789,,,,,,,,,,,,,0.0,,,,0.0
CCCOc1cccc(C2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2CCN(C)C)c1,CID5389356,,0.0,,,,,,0.0,,,0.0,,,,,,
CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(F)cc2)C1c1ccccc1F,CID5310754,,,0.0,,,,,,,,,,,,,,
CCOc1ccc(C2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2CCCN(C)C)cc1OC,CID5771730,,0.0,,,,,,,,,,,,,,,
CCOc1cc(C2/C(=C(\O)c3cc(C)ccc3C)C(=O)C(=O)N2CCN(C)C)ccc1O,CID5768999,,,,,,,,0.0,,,,,,,,,
COc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCN(C)C)C2c2ccccc2F)cc1Cl,CID5389833,,,,,,,,,,,,,0.0,,,,
COc1ccccc1C1/C(=C(/O)c2ccccc2)C(=O)C(=O)N1CCO,CID5771356,,,,,,,,,,0.0,,,,,,,
C=CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCOC)C2c2ccc(O)c(OC)c2)cc1,CID5389909,,,0.0,,,,,0.0,,,,,,,,,
COc1cccc(C2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2CCCC(=O)O)c1,CID5310911,,,,,,,,,0.0,,,,,,,,0.0
CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)C1c1ccccc1F,CID5310892,,,,,,,,0.0,,,,,,,,,
COc1cc(C2/C(=C(\O)c3cc(C)ccc3C)C(=O)C(=O)N2CCN(C)C)ccc1O,CID5768998,,,,,,,,,,,,,0.0,,,,
C=CCOc1cccc(C2/C(=C(\O)c3ccc(F)cc3)C(=O)C(=O)N2CCN(C)C)c1,CID5389414,,,,,,,,0.0,,,,,0.0,,,,
COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN(C)C)C2c2ccccc2)cc1Cl,CID5389411,,,0.0,,,,,,,,,,,,,,
COc1ccc(C2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2CO)cc1,CID5771384,,0.0,,,,0.0,,0.0,,,,,,,,,
COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCC(=O)O)C2c2ccc(OC)cc2)cc1,CID5768708,,,,,,,,,0.0,,,,,,,,
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)cc2)C1c1cccc(OC)c1,CID5768010,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)C2c2cccc(OC)c2OC)cc1Cl,CID5739221,,0.0,,,,,,,,,,,,,,,
CC(C)C(=O)Nc1ccc(C(=O)c2ccccc2)cc1,CID837247,,,,,,,,,,0.0,0.0,,,,,,
Cc1ccc(C(=O)c2ccccc2C(=O)O)c(O)c1,CID458233,,,,,,,0.0,,0.0,,,,,,,,
CCOc1ccc(C(=O)c2ccccc2C(=O)O)cc1OCC,CID2461363,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)c2ccccc2Cl)cc1,CID884932,,,,,,,,,,0.0,,,,0.0,,,
COc1ccc(C(=O)c2ccc(OC)c(N)c2)cc1N,CID755692,0.0,,0.0,0.0,0.0,,,,,,,,,,,,
CCN(CC)c1ccc(C(=O)c2ccccc2C(=O)O)c(O)c1,CID79878,,,,,,,,,,,,,,,0.0,,
CN(C)c1ccc(C(=O)c2ccc(N(C)C)cc2)cc1,CID7031,,,,,,0.0,,,,,,,,,0.0,,
Cc1cc(C)c(C)c(C(=O)c2ccccc2C(=O)O)c1C,CID803711,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C(=O)c2ccccc2C(=O)O)cc1C,CID304868,,,,,,,,,,,,,,0.0,,,
O=C(c1cc(O)c(O)c([N+](=O)[O-])c1)c1ccccc1F,CID3495594,,,,,,,,0.0,,,,,,,,,
CN(C)c1ccccc1C(=O)c1ccccc1N(C)C,CID658530,0.0,,0.0,,,,,0.0,,,,,,,,0.0,
CN(C)c1ccc(C(=O)c2ccc(N(C)C)c(N)c2)cc1N,CID219490,,0.0,,0.0,,0.0,,0.0,0.0,0.0,,0.0,,,,0.0,
Cc1cccc(C(=O)c2ccccc2C(=O)O)c1O,CID2998057,,,,,,,,0.0,0.0,0.0,0.0,,,,,,
CCC(=O)Nc1cccc(C(=O)c2ccccc2)c1,CID895015,,0.0,,,0.0,,0.0,,0.0,,0.0,,0.0,,,0.0,
Cc1ccc(C(=O)c2ccc(O)cc2)cc1C,CID786802,,,,,,,,,,,,,,,,0.0,
O=C(c1ccc(O)cc1)c1ccc(C(=O)O)c(C(=O)O)c1,CID786803,,,,,,,0.0,,,,,,,,,,
Cc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1,CID610466,,,,,,,,,0.0,,,,,,0.0,,
CCS(=O)(=O)Nc1ccc(C(=O)c2ccccc2)cc1,CID837238,,,,,,,,,0.0,,0.0,0.0,,0.0,,,
CC(C)N(C(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(C)C,CID3904314,,,,,,,,,,,,,,,0.0,,
Cc1cccc(C(=O)c2cccc(C)c2)c1,CID17848,,,,,,,,,,,,,,,0.0,,
CC(=O)Nc1ccc(C(=O)c2ccccc2)cc1,CID228532,,0.0,,,,,,0.0,0.0,,0.0,,,,0.0,,0.0
Cc1ccc(C(C)(C)C)cc1C(=O)c1ccc([N+](=O)[O-])cc1,CID781527,,,,,,0.0,,,,,,,,,,,
Nc1ccc(C(=O)c2ccccc2C(=O)O)cc1Cl,CID2212572,,,,,,,0.0,,,0.0,0.0,0.0,,,,0.0,
CC(=O)Oc1ccc(C(=O)c2ccccc2)c(OC(C)=O)c1,CID3423839,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)c2ccc(Cl)cc2Cl)cc1,CID884010,,,,,,,,,,0.0,,,,0.0,,,
Cc1ccc(N)c(C(=O)c2ccccc2)c1,CID87335,,,,,,,,,,0.0,,0.0,,,,,
CCOc1ccc(C(=O)c2ccc(OCC)c(N)c2)cc1N,CID794797,0.0,,,0.0,0.0,,,,,,,,,,,,
CS(=O)(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1,CID1293269,,,,,,,,,0.0,,,,,0.0,,,
COc1ccc(C(=O)c2ccc(OC)cc2O)c(O)c1,CID8570,,,,0.0,,0.0,,,,,,,,,,,0.0
C=CCNC(=O)c1ccc(C(=O)c2ccccc2)cc1,CID2529944,,,,,0.0,0.0,0.0,,0.0,,,,,,,,
O=C(c1ccc(O)cc1)c1ccc(Cl)cc1,CID123504,,,,,,,,,,,,,,0.0,,,0.0
COc1ccc(OC)c(C(=O)c2ccc(C(=O)O)cc2)c1,CID793494,,,,,,,,,0.0,0.0,0.0,,,0.0,,,0.0
CN(C)c1ccc(C(=O)c2ccccc2C(=O)O)c(O)c1,CID655619,,,,,,,0.0,,0.0,,0.0,,,,0.0,,0.0
CN(C)C(=O)Oc1ccc(C(=O)c2ccccc2)cc1,CID806783,0.0,,,,,,0.0,,0.0,,0.0,,,,,,
CCC(=O)Nc1ccc(C(=O)c2ccccc2)cc1,CID221856,,,,,0.0,,0.0,,0.0,0.0,,,,,,0.0,
Nc1ccc(SC(F)(F)F)cc1C(=O)c1ccccc1,CID767342,,,,,,,0.0,0.0,,,,,,,,,
COc1ccc(C(=O)c2ccc(N(C)C)cc2)c(OC)c1,CID3243415,,,,,,0.0,,,,,,,,,,,
COc1ccc(OC)c(C(=O)c2ccccc2)c1,CID257906,,,,,,,,,0.0,,0.0,,,,,,
COc1ccc(C(=O)c2ccc(Cl)cc2)cc1,CID82719,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1,CID884295,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1,CID884291,,,,,,,,,,,,,,0.0,,,
Nc1ccccc1C(=O)c1ccccc1,CID76080,,,,,,,,0.0,,0.0,0.0,0.0,,,,,
CNc1ccc(C(=O)c2ccccc2C(=O)O)cc1[N+](=O)[O-],CID291456,,,,,,,,,,,,,,,0.0,,
CCOC(=O)COc1ccc(C(=O)c2ccccc2)c(O)c1,CID652837,,,,,,,0.0,0.0,0.0,,,,,0.0,,0.0,
COc1cc(C(=O)c2ccccc2Cl)c([N+](=O)[O-])cc1OC,CID917319,,,,,,,,,,,,,,0.0,,,
CN(C)c1ccc(C(=O)c2ccccc2)cc1,CID10737,,,,,,,,,0.0,,,,,,,,
COc1ccc(C(=O)c2ccc(Br)cc2)cc1,CID794333,,,,,,,,,,,,0.0,,,,,
Cc1ccc(NS(C)(=O)=O)c(C(=O)c2ccccc2)c1,CID977278,,,,,,,,,0.0,,,0.0,,,,,
CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1,CID3825,,,,,,,,,0.0,,0.0,,,0.0,0.0,,
Cc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1C,CID786376,,,,,,,,,0.0,,,,,0.0,,,
COc1ccc(C(=O)c2ccc(OC)c(OC)c2)cc1,CID2754574,,,,,,,,,0.0,,0.0,,,0.0,,,
COc1ccc(C(=O)c2ccccc2Cl)cc1OC,CID2754576,,,,,,,,,,,,,,0.0,,,
CNc1ccc(OC(F)F)cc1C(=O)c1ccccc1,CID744090,,,,0.0,,,,,,,,,,,,,0.0
CCN(CC)C(=O)c1ccc(C(=O)c2ccccc2)cc1,CID755990,,,,,,0.0,,,,,,,,,,,
CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1,CID3339,,,,0.0,,,,,,,,,,0.0,,,
COc1ccc(C(=O)c2ccccc2)c(O)c1,CID4632,,,,,,,,,0.0,,0.0,,0.0,,,0.0,
CCOc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1,CID884265,,,,,,,,,,,,,,0.0,,,
Cc1cc(O)c(C(=O)c2ccccc2C(=O)O)cc1C,CID831034,,,,,,0.0,,0.0,0.0,,,,0.0,0.0,,0.0,
Cc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1,CID219131,,,,,,,,,,0.0,,,,0.0,0.0,,
CS(=O)(=O)Nc1ccccc1C(=O)c1ccccc1,CID977840,,,,0.0,,,0.0,0.0,0.0,,,0.0,,0.0,,,
COc1ccc(C(=O)c2ccccc2)cc1Br,CID804518,,,,,,,,,,,,0.0,,,,,
CN(C)c1ccc(C(=O)c2ccc(O)cc2O)cc1,CID825840,,,,,,,,,,0.0,0.0,,,,,,
CCC(CC)C(=O)Nc1cccc(C(=O)c2ccccc2)c1,CID974891,,,,,,0.0,,,,,0.0,,,0.0,,,
CC(C)(C)Oc1ncc(Br)c(OC(C)(C)C)n1,CID818851,,,,,,,,,0.0,,0.0,0.0,,,,,0.0
CSc1nc(C)cc(SCCO)n1,CID1575439,,,,,,,,,,,0.0,,,,,,
COC(=O)CSc1nc(N)nc(C)c1Br,CID658012,0.0,,,,,,,,0.0,,,,,0.0,,0.0,
COc1cc(OC)nc(NC(=O)C(C)C)n1,CID718572,,,,,,,0.0,,,0.0,,,0.0,,,,
CSc1nc(C)cc(OCC#N)n1,CID658712,,,,,,,0.0,,,,,,,,,,
CCOC(=O)CNC(=O)CSc1nc(N)cc(N)n1,CID647473,,,,,,,0.0,,,0.0,,,0.0,,,,
CSc1nc(N)nc(SCC(=O)C(C)(C)C)c1C#N,CID689226,,,,,,0.0,,,,,,,,,,,
COC(=O)COc1nc(C)c(Br)c(OC)n1,CID664203,0.0,,,,,,0.0,,0.0,,,0.0,,,,,0.0
CSc1ncc(C(=O)O)c(C)n1,CID3613356,,,,,,,,,,,,,,,0.0,,
CCOC(=O)COc1nc(C)c(Br)c(OC)n1,CID645131,0.0,,,,,,,,,,,0.0,,,,,0.0
C#CCOC(=O)CCC(=O)Nc1cc(OC)nc(OC)n1,CID658539,,,,,,,,,,,,,0.0,,,,
CCCCCCSc1ncc(C#N)c(N)n1,CID651355,,0.0,,0.0,,,,,,,,,0.0,,,,
CCCCN(C)c1ncc(Cl)c(C(=O)O)n1,CID2312489,,,,,,,,,,0.0,,,,,,,
CCOC(=O)CSc1cc(C)nc(N)n1,CID723916,,0.0,0.0,,,,0.0,,,,,,,,,,
CSc1ncc(C(C)=O)c(C)n1,CID4555739,,,,,,,,,,,,,,,0.0,,
CCOC(=O)CSc1cc(C)nc(NC(C)=O)n1,CID655986,,,,0.0,,,,0.0,,,,,,,,,
COC(C)(C)c1cc(C(C)(C)C)nc(N)n1,CID2063425,,,,0.0,,,,0.0,,,,0.0,0.0,,,,
CCC(=O)Nc1nc(C)nc(C)c1C(C)=O,CID873347,,,,,,,0.0,,,,,,,,,,
COc1cc(OC)nc(NC(C)=O)n1,CID934943,,,,,,,,,0.0,,,,,,,,
O=C(NCC(F)(F)F)Nc1ncccn1,CID659628,,,,,,,,,0.0,,,,,,,,0.0
Cc1cc(C)nc(NC(=O)C(C)C)n1,CID1234520,,,,,,,,,,,,0.0,,,0.0,,
COC(=O)CSc1cc(C)nc(NC(C)=O)n1,CID652992,,0.0,,0.0,,,,,,,,,0.0,,,,
COC(=O)CSc1cc(C)nc(SC)n1,CID976346,,,,,,,,,,,,,,0.0,,,
CCOC(=O)CC(=O)CSc1ncc(C(=O)OCC)c(N)n1,CID1992449,,0.0,,,,,,,,,,,,,,0.0,
CN(C)c1ncc(C(=O)O)cn1,CID255081,,,,,,,,0.0,,,,,,,,,
CCOC(=O)CSc1nc(C)cc(C)n1,CID2179971,,,,,,,,,,,,0.0,,,,,
COC(=O)CSc1nc(NC(C)=O)nc(C)c1Br,CID697664,,,,,,,,,,,,,,0.0,0.0,,
Cc1cc(C)nc(SCCC(=O)N(C)C)n1,CID653464,,,,,,,0.0,,,0.0,,,,,,,
COc1nc(NC(C)=O)nc(C)c1Br,CID742815,,,,,,,,,,,,,,,,0.0,
CSc1nc(NC(C)=O)nc(C)c1Br,CID767988,,,,,,,,,0.0,,,,,,,,
COc1cc(NC(=O)CCCC(=O)OCC(F)(F)C(F)F)nc(OC)n1,CID2166842,,,,,,,,,0.0,,,,,,,,0.0
CCS(=O)(=O)CCSc1nc(C)cc(C)n1,CID656348,,,0.0,,,,0.0,,,,,,,,,,0.0
CC(=O)Nc1nc(C)nc(C)c1C(C)=O,CID1070418,,,0.0,,,,,,,,,,,,,,
CCOC(=O)C(Sc1cc(C)nc(N)n1)C(C)=O,CID2946623,,,,,,,,,,,,0.0,,,,,
CNc1nc(N)c([N+](=O)[O-])c(NCCO)n1,CID3920766,,,,,,,,,,,,,,,0.0,,
CCOC(=O)NC(Nc1ncccn1)(C(F)(F)F)C(F)(F)F,CID383573,,,,,,,,,0.0,,,,,,,,
CSc1nc(N)nc(SCC(=O)CC(=O)OC(C)C)c1C#N,CID657984,0.0,,,,,,,,,,,,,0.0,,,
Cc1cc(C)nc(SCC(=O)O)n1,CID41567,,0.0,,,,,,,,,,,,,,0.0,
Cc1cc(C)nc(SC(C)C(=O)O)n1,CID2772428,,0.0,,0.0,,,,,,,,,,,,,
Cc1cc(C)nc(CC(N)=O)n1,CID659932,,,,0.0,,,,,,,,,,,,,
O=C(O)CSc1ncccn1,CID581022,,,,,,,,,,,,,,,0.0,,
CC#CCCCC(=O)Nc1cc(OC)nc(OC)n1,CID3236649,,,,,,0.0,,0.0,0.0,0.0,,,0.0,,,,
COC(=O)CSc1ncc(C#N)c(N)n1,CID654062,,,,0.0,,,,,,,,,,,,,
CCOC(=O)c1nc(S(C)(=O)=O)ncc1Cl,CID854805,,,,,,,0.0,,,,,,,,,,
CSc1cc(C)nc(N(C)C(C)=O)n1,CID658170,,0.0,,0.0,,,,,,,,,,,,,
CC(=O)c1c(C)nc(C)nc1NC(=O)C(C)C,CID726947,,,0.0,,,,,0.0,,,0.0,,0.0,,,0.0,
COC(=O)C(C)N(C#N)c1nc(C)cc(C)n1,CID2862961,,,,,,0.0,,,,,,0.0,,,,,
CCC(=O)Nc1nc(OC)cc(OC)n1,CID942474,,,,0.0,,,,0.0,0.0,,,,,,,,
CCOC(=O)CSc1nc(N)nc(C)c1Br,CID704659,,,,,,,,,0.0,,,,,0.0,,0.0,
CC(NC(=O)Nc1ncccn1)(C(F)(F)F)C(F)(F)F,CID658898,,,,,,,,,0.0,,,,,,,,
Cc1cc(N(C)C)nc(SC(C)C)n1,CID660772,,,0.0,0.0,,,,,,,,,0.0,,,,0.0
CSc1nc(C)cc(NC(N)=O)n1,CID650834,,,,0.0,,,,,,,0.0,,,,,,
COc1cc(OC)nc(NC(=O)CCl)n1,CID2384448,,,,,,,,,,0.0,,,,,,,
CCC(C(=O)Nc1ncccn1)(C(F)(F)F)C(F)(F)F,CID659676,,,,,,,,,0.0,,,,,,,,
CCOC(=O)C(Sc1ncc(C#N)c(N)n1)C(C)C,CID3189522,,,,,,,,,,,,0.0,,,0.0,,
C=CCOC(=O)CCC(=O)Nc1cc(OC)nc(OC)n1,CID658466,,0.0,,,,,0.0,0.0,,0.0,,,,,,,
CSc1nc(N)nc(SCC(=O)OC(C)C)c1C#N,CID658243,,,,,,0.0,,,,,,,,0.0,,,
CCC(=O)Nc1nc(C)cc(SCC(=O)OC)n1,CID652134,,,0.0,,,,,,,,,,,,,,
CCN(CC)c1ncc(Cl)c(C(=O)O)n1,CID2312493,,,,,,,,,,,,,0.0,0.0,,,
COc1cc(C)nc(SCC(N)=O)n1,CID3239009,,,,0.0,,,,,,,,,,,,,
Cc1cc(NC(=O)CCCC(=O)O)nc(C)n1,CID652029,,,,0.0,,,0.0,,,,,,,,,,
CC(=O)c1cnc(SCC(=O)O)nc1C,CID1477694,,,,,,,,,,,,,,0.0,,,
Cc1ccc(-c2nc(C)sc2CC(=O)O)cc1,CID2231549,,,,,,,,,,,,0.0,,0.0,0.0,,
CCOC(=O)c1sc(N(C)C)nc1-c1ccccc1,CID824474,,,,,,,,,,,,0.0,,,0.0,,
COc1cc(-c2csc(C)n2)ccc1O,CID838952,,0.0,,,0.0,,0.0,,,0.0,,,,,,0.0,
COc1ccc(OC)c(-c2nc(C)sc2CC(=O)O)c1,CID1253380,,,,,,,,,,,,,,0.0,,0.0,
CNc1nc(-c2ccc(Cl)cc2)cs1,CID650510,,,0.0,,,,,,,0.0,,,,0.0,,,
COCC(=O)Nc1nc(-c2ccccc2)c(C)s1,CID734097,,0.0,,,,,0.0,,,0.0,,,0.0,,,,
CCOC(=O)C(=O)Nc1nc(-c2ccccc2)c(CC)s1,CID2190686,,,,,,,,,0.0,,0.0,,,,,,
CN(C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1,CID824462,,,,,,,,,,,,0.0,,,0.0,,
COc1ccc(-c2csc(NC(C)=O)n2)cc1OC,CID806569,,,0.0,0.0,0.0,,,,,,,,0.0,,,,0.0
CC(C)(C)c1sc(N)nc1-c1ccccc1,CID765629,,,,,,,,,,,,0.0,,,,,
Cc1ccc(-c2nc(N)sc2CC(=O)OCC(=O)NCCC(C)C)cc1,CID2084229,,,,,,,,,,,,,,0.0,,,
CC(=O)N(C)c1nc(-c2ccc(Cl)cc2)cs1,CID650025,,0.0,,,,,,,,0.0,,,,,0.0,,
C=CCNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1,CID1988317,,,,,,,,,,,,,,,0.0,,
CCCCCNc1nc(-c2ccccc2)cs1,CID2560470,,,,,,,,,0.0,,0.0,,,,,,
COCCCN(C(C)=O)c1nc(-c2ccc(OC)cc2)cs1,CID656248,,0.0,,0.0,,,,,0.0,,0.0,,0.0,,,,
COCC(=O)NCCc1nc(-c2ccccc2)cs1,CID687944,,,,0.0,,0.0,,0.0,,0.0,,,,,,,0.0
CCc1sc(N)nc1-c1ccccc1,CID147560,,,,,,,,,,,,,,0.0,,,
CCc1sc(NS(C)(=O)=O)nc1-c1ccccc1,CID889605,,,0.0,,0.0,0.0,,,,0.0,0.0,0.0,,0.0,,,
CCCCOc1ccc(-c2csc(N)n2)cc1[N+](=O)[O-],CID2901393,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1sc(NC(C)=O)nc1-c1ccccc1,CID3941062,,,,,,,,,,,0.0,,,,,,
COc1c(F)c(F)c(-c2csc(N)n2)c(F)c1F,CID752522,,,,,,,0.0,0.0,0.0,,,,,,,,0.0
Cc1nc(-c2cccc(N)c2)cs1,CID736535,,,,0.0,0.0,,,,,0.0,,,,,,,
CCOC(=O)c1sc(N)nc1-c1ccccc1,CID73239,,,,,,,0.0,,,,,,0.0,,,,0.0
CC(=O)NCC(=O)OCC(=O)Nc1nc(-c2ccccc2)cs1,CID2412869,,,,,,,,,,,,,,0.0,,,
COc1cccc(-c2csc(NC(C)=O)n2)c1,CID735048,,,0.0,0.0,,,0.0,,,0.0,,,0.0,,,,0.0
CN(C)CC(=O)Nc1nc(-c2ccccc2)cs1,CID1477231,,,,,,0.0,,,,0.0,,,,,,,
CCOC(=O)Nc1sc(C)nc1-c1ccccc1,CID1102806,,0.0,,,0.0,,,0.0,,,,0.0,0.0,,,,0.0
COCCCN(C(C)=O)c1nc(-c2ccccc2)cs1,CID655052,,,,,,,,,,,,0.0,0.0,,,,
CC(C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1,CID882371,,,,,,,,,,,,,,,0.0,,
CC(=O)NCCC(=O)Nc1nc(-c2ccccc2Cl)cs1,CID2114463,,,,,,,,,,,,,,,0.0,,
COc1ccc(-c2nc(C)sc2CC(=O)O)cc1,CID772515,,,,,,,0.0,0.0,0.0,0.0,,0.0,0.0,,,,0.0
Cc1nc(-c2ccccc2)cs1,CID584377,,,,,,,,,,0.0,,,,,,,
O=C(O)CCCC(=O)Nc1nc(-c2ccc(F)cc2)cs1,CID3239807,,,0.0,,,,,,,,,0.0,,,,,
O=C(O)CCC(=O)Nc1nc(-c2ccccc2)cs1,CID804919,,,0.0,,,,,0.0,,,,,,0.0,,,
COc1ccc(-c2csc(C)n2)cc1OC,CID332398,,,,,,,,,,0.0,,,,,,,
CNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1,CID560762,,,,,,,,,,,,0.0,,,,,
NC(=O)Cc1nc(-c2ccc(Br)cc2)cs1,CID560765,,,,,,,,,,,,,,0.0,,,
NC(=S)Cc1nc(-c2ccc(Cl)cc2)cs1,CID2350672,,,,,,,,,,,,,,0.0,,,
COCC(=O)Nc1nc(-c2ccc(C)cc2)c(C)s1,CID733298,,,,,,,,,,0.0,,0.0,,,,,
N#CCSc1nc(-c2ccccc2)cs1,CID2243317,,0.0,,,0.0,,,,,,,,,,,0.0,
Nc1nc(-c2ccccc2Br)cs1,CID661954,,,,,,,,,0.0,,,,,,,,
COc1ccc(-c2csc(C)n2)cc1,CID768765,,,,,,,,,,0.0,0.0,,,,,,
O=C(O)CCCC(=O)Nc1nc(-c2ccccc2)cs1,CID647626,,,,0.0,,,,,0.0,,,0.0,,,,,0.0
CCOc1ccc(-c2nc(C)sc2CC(=O)O)cc1,CID1250034,,,,,,0.0,,,0.0,0.0,,0.0,,0.0,,,
CCNC(=O)CSc1nc(-c2ccc(F)cc2)cs1,CID2591198,,,,,,,,,,,,,,,0.0,,
CCOC(=S)SCC(=O)Nc1nc(-c2ccccc2)cs1,CID2382466,,,,,,,,,,,,,,,0.0,,
Nc1nc(-c2ccccc2)cs1,CID40302,,,,,,,,,,,,,,,0.0,,
Cc1nc(-c2cccc(NS(C)(=O)=O)c2)cs1,CID895414,,,,,,,,,,0.0,0.0,,,0.0,,,
CCNc1nc(-c2ccc(Cl)cc2)cs1,CID646058,,,,,,,,,0.0,0.0,,,,0.0,,,0.0
COc1ccc(-c2csc(C)n2)cc1Br,CID886409,,,,,,,,,,,,,,0.0,,,
Nc1nc(-c2cccc(Br)c2)cs1,CID723330,,,,,,,,,0.0,,,,,,,,
COC(=O)CCC(=O)Nc1nc(-c2ccccc2)cs1,CID600610,,,0.0,,,,0.0,0.0,,0.0,0.0,0.0,,,,0.0,0.0
Cc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1,CID852125,,,,0.0,,,0.0,,,0.0,0.0,,,0.0,,0.0,
CCCC(=O)Nc1nc(-c2ccc(OC)cc2)cs1,CID838730,,,,,,,,,,,,0.0,,,,,
CCC(=O)N(CC)c1nc(-c2ccc(OC)cc2)cs1,CID645119,,,,,,0.0,0.0,0.0,,,,,0.0,,,,
Cc1sc(N)nc1-c1ccccc1,CID96129,,,,,,,,,,,,,,,0.0,,
CCNC(=O)CSc1nc(-c2ccccc2)cs1,CID2574254,,,,,,,,,,,,,,0.0,0.0,,
COC(=O)Nc1sc(C)nc1-c1ccccc1,CID811874,,,,,0.0,0.0,0.0,0.0,,,,0.0,,,0.0,,0.0
CC(=O)Nc1sc(N)nc1-c1ccccc1,CID904070,,,,,,,0.0,0.0,,,0.0,,,,,,
CCc1sc(NC(C)=O)nc1-c1ccccc1,CID891073,,,,,,,,,,,,,,,0.0,,
C=CCNc1nc(-c2ccc(Cl)cc2)cs1,CID2131650,,,,,,,,,,,,,,0.0,,,
CCc1sc(NC(=O)COC)nc1-c1ccccc1,CID655711,,0.0,,,,,0.0,0.0,,0.0,,0.0,,,,,
CN(C)C(=O)Oc1cccc2c(OC(=O)N(C)C)cccc12,CID890157,,,,,,,,,,,,,,,0.0,,
CCN(CC)S(=O)(=O)c1cccc2c(N(C)C)cccc12,CID659824,,,,0.0,,0.0,,0.0,,,,,,,,,0.0
CCOC(=O)C(C)/C(C)=N/NC(=O)c1cc2ccccc2cc1O,CID4027653,,,,,,,,,,,,,,0.0,,,
COc1ccc2ccccc2c1/C=N/O,CID708036,,,,0.0,,,0.0,,,0.0,,,,,,0.0,
CC(=O)Oc1c(C)cc(O)c2ccccc12,CID313134,,,,,,,,0.0,,,0.0,,,,,0.0,
O=C(O)COc1cccc2ccccc12,CID76313,,,,,,,,,0.0,,,,,,,,
CNS(=O)(=O)c1cc(O)c2c(S(=O)(=O)NC)cccc2c1,CID762871,,,,,,,0.0,,,0.0,,,,,,,
CC(=O)c1ccc(N(C)C)c2c(N(C)C)cccc12,CID685108,,,,,,,,,,0.0,,,0.0,,,0.0,
CC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1cccc2ccccc12,CID4155260,,,,0.0,,,,,,,,0.0,,,,0.0,
O=C(O)c1cc(Cl)c2ccccc2c1O,CID79416,,,,,,,,,,,,,,0.0,,,
CC(C)(Oc1cccc2ccccc12)C(=O)O,CID302104,,,,,,,,0.0,,,0.0,,,,,0.0,
CCC(C)NC(=O)COc1ccc2ccccc2c1,CID3621524,,,,,,0.0,,,,,,,,,,,
O=C(NCCO)c1cc2ccccc2cc1O,CID66722,,0.0,,,0.0,,,0.0,,,,,,,,,
O=C(O)c1ccc2cccc(Cl)c2c1O,CID974773,,,,,,,,,,,,,0.0,0.0,,,
O=C(O)CSc1cccc2cccc(C(=O)O)c12,CID768476,,,0.0,,,,,0.0,0.0,,,,,,,,
CCN(CC)C(=O)Oc1ccc(Cl)c2ccccc12,CID749802,,,,0.0,,,,,,,,,,0.0,0.0,,0.0
CCNC(=O)COc1ccc2ccccc2c1,CID874842,,,0.0,0.0,,0.0,,,,,,,,,,0.0,
CC(C)(C)SCCNS(=O)(=O)c1ccc2ccccc2c1,CID2219519,,,,,,,,,,0.0,,,,,0.0,,
O=C(O)CCCNS(=O)(=O)c1ccc2ccccc2c1,CID362742,,,0.0,,,,,,0.0,,,,,0.0,0.0,,
Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12,CID772871,,,,,,,,,0.0,,,,,,,,0.0
CC(=O)N(C(C)=O)c1cccc2c(N(C(C)=O)C(C)=O)cccc12,CID2832525,,0.0,,,,,,0.0,,,,,,,,,
O=C(O)CCC(=O)c1cccc2ccccc12,CID277786,,,,,,,0.0,,,,,,,,,,
COc1ccc2cc(CCC(C)=O)ccc2c1,CID4409,,,,,,,,,,,0.0,,,,,,
CCOC(=O)CS(=O)(=O)c1ccc2ccccc2c1,CID975989,,,,,,,0.0,,0.0,,,,,,,,0.0
CSCCC(NS(=O)(=O)c1ccc2ccccc2c1)C(=O)O,CID3408560,,,,,,0.0,,,,,,,,,,,
COC(=O)CCCNS(=O)(=O)c1ccc2ccccc2c1,CID4204457,,,,,,,,,,,,0.0,,,,,
C=CCOc1ccc2ccccc2c1/C=N/O,CID2766877,,,,,,,,,,,0.0,,,,,,
CN(C)C(=O)Oc1ccc2ccccc2c1Cl,CID700123,,,,,,,,,,0.0,,,,,,,
O=C(O)CCNc1cc2ccccc2cc1C(=O)O,CID767169,,,,,,,,,,,,,0.0,,,,
COc1ccc(S(=O)(=O)N(C)CC(=O)O)c2ccccc12,CID729581,,,0.0,0.0,,,0.0,,0.0,,,,0.0,,,,
CCC(=O)N/N=C(\C)CC(=O)Nc1ccc2ccccc2c1,CID11957144,,,,,,0.0,,,,,,,,,,,
O=C(CSCCO)Nc1cccc2ccccc12,CID2187633,,,0.0,0.0,0.0,,0.0,0.0,,,,,0.0,,,,
CNC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O,CID752535,,,,0.0,,,,0.0,,0.0,,,,,,,
COc1ccc(C(C)=O)c2c(O)cccc12,CID659636,,,0.0,0.0,,,,,,,,,,,,0.0,0.0
CCCCNc1cc(NC(C)=O)cc2cc(OC)c(OC)cc12,CID2253328,,,,,,0.0,,0.0,,,,,,,,,
CC(=O)NCCOc1cccc2ccccc12,CID2226306,,,,,,,0.0,0.0,,0.0,,,,,,0.0,
C=CCNC(=O)Cc1c(OC)ccc2cc(Br)ccc12,CID1811810,,,,,,,,,,,,,,,0.0,,
CC(C)(C)CC(C)(C)NC(=O)CSCC(=O)Nc1ccc2ccccc2c1,CID2876962,,,,,,0.0,,,,,,,,,,,
CCC(Oc1ccc2ccccc2c1)C(=O)O,CID657686,,,,,,,0.0,0.0,,,,,,0.0,,0.0,
COC(=O)N/N=C(\C)c1ccc2ccccc2c1OC(F)F,CID4282908,,,,,,,,,,,,,,,0.0,,
COc1cc2c(OC)cccc2cc1C(=O)O,CID1253521,,,,,,,,,0.0,,,,,,,0.0,
COC(=O)/C(=C/Nc1cccc2ccccc12)[N+](=O)[O-],CID2245505,,,,,,,,,,0.0,,,,,,,
CN(C)C(=O)Oc1ccc(Cl)c2ccccc12,CID806668,,,0.0,,,,,,,0.0,,,,,,,0.0
COCC(=O)Nc1cccc2ccccc12,CID532088,,,,,,,,0.0,,,,,,,0.0,0.0,0.0
CCN(CC)C(=O)COc1cccc2ccccc12,CID954543,,,0.0,,,,0.0,,,,0.0,,,,,,
CCN(CC)S(=O)(=O)c1cccc2cc(C(=O)O)c(O)cc12,CID645872,,,,,,,,0.0,0.0,,,0.0,,,,0.0,0.0
C=CCOC(=O)CCC(=O)Nc1cccc2ccccc12,CID2054601,,,0.0,,,0.0,,,,,,,,,0.0,0.0,
COC(=O)CCC(=O)Nc1cccc2ccccc12,CID2264287,,,,,,,,,,0.0,,,,,,,
CCN(C(C)=O)c1cccc2ccccc12,CID880894,,,,,,,,,,,0.0,,,,,,
COc1cc2ccccc2cc1C(=O)O,CID70161,,,,,,,,,0.0,,0.0,,,,,,
CCCN(CCO)Cc1ccc2ccccc2c1,CID783474,,,,,,,,,,0.0,,,,,0.0,,
Cc1ccc2cc(S(=O)(=O)NCCCC(=O)O)ccc2c1,CID2218814,,,,,,,,0.0,0.0,,,0.0,,,,,
OCCCCNc1cccc2ccccc12,CID646092,,,,,,,,0.0,,0.0,,,,,,0.0,
CCOC(=O)Nc1cccc2ccccc12,CID258216,,,,,,,0.0,0.0,,,,,,,,,
O=C(O)CSCC(=O)Nc1cccc2ccccc12,CID651490,,,0.0,,0.0,,0.0,,,,,0.0,,,,0.0,
CC(C)Oc1ccc2ccccc2c1C=O,CID882445,,,,,,0.0,,,,,,,,,,,
C=CCNS(=O)(=O)c1cccc2cc(C(=O)O)c(O)cc12,CID3242772,,,,,,,,,,,,,,,0.0,,
Cc1ccc2c(N)c(C)ccc2c1,CID646819,,,,,,,,0.0,,,,0.0,,,,,
CC(=O)CC(=O)Nc1ccc2ccccc2c1,CID296093,,,,,,0.0,,,,,,,,,,,
CC(C)SCCCCOc1ccc2ccccc2c1,CID2237929,,,,,,,,,,,,,,,0.0,,
O=C(COc1cccc2ccccc12)NCCO,CID2180314,,,,,,0.0,,,,,,,,,,,
N#CCCSCc1ccc(C(=O)O)o1,CID2193152,,0.0,,,,,,,,,0.0,,0.0,,,,0.0
CCOC(=O)N/N=C(C)/C=C/c1ccco1,CID12004802,,,,,,,,,,,,,,0.0,,,
CCCOC(=O)/C(C)=N/NC(=O)c1ccco1,CID2828242,,,,,,,,,,0.0,,,,,,,
Cc1cc(C(=O)NCC(=O)O)c(C)o1,CID1085174,,,,,,0.0,,,,,,,,,,,
C/C(=C\c1cc(C(=O)O)c(C)o1)CO,CID738355,,,0.0,0.0,,,,,,,,,,,,0.0,
CC(C)CC(NC(=O)c1ccco1)C(=O)O,CID2882178,,,,,,0.0,,,,,,,,,,,
CSCCC(NC(=O)c1cc(C(C)(C)C)oc1C)C(=O)O,CID656048,,,,,,,0.0,,0.0,,,,,,,,
CC(=C/C(=O)O)/C=C/c1ccc(Cl)o1,CID911126,,,,,,,,,,0.0,,,,0.0,,,
CSCCC(NC(=O)c1cc(CC(C)C)oc1C)C(=O)O,CID651385,,,0.0,0.0,,,0.0,,0.0,,,,,,,,0.0
Cc1cc(C(=O)OCC(=O)NC(=O)NC(C)(C)C)c(C)o1,CID2405160,,0.0,0.0,,0.0,,,,,,,,0.0,,,,
CCC(C)C(NC(=O)NCc1ccco1)C(=O)O,CID663639,,,,,,0.0,,,,0.0,,,,,,,
Cc1oc(C)c(C(N)=O)c1C(N)=O,CID650496,,,,0.0,0.0,,,,,,,0.0,,,,,
CCOC(=O)CNC(=O)c1cc(C)oc1C,CID2225422,,0.0,0.0,,,,,,,,,,,,,0.0,
CC(C)(C)NC(=O)NC(=O)COC(=O)c1ccco1,CID2363592,,,,,0.0,,0.0,,,,,,,,,,
CCCCNC(=O)NNC(=O)c1ccoc1C,CID1747236,,,,,,,,,,,,0.0,,,,,
COC(=O)CCC(NC(=O)c1cc(C)oc1C)C(=O)OC,CID2955618,,,,,,,,,,0.0,,,,0.0,,,
O=C(O)CSCc1ccc(C(=O)O)o1,CID580398,,,,,,,,,0.0,,,,,,,,
O=C(O)CCNC(=O)c1ccc(Br)o1,CID655116,0.0,,,,,,,,,,,,,,,,0.0
COCCNC(=S)NNC(=O)c1ccco1,CID2208072,,,,,,,,,,,0.0,,,,,,
CSCCC(NC(=O)c1occc1C)C(=O)O,CID3244180,,,,0.0,,,,,,,,,0.0,,,,
Cc1oc(C(C)(C)C)cc1C(=O)NCC(=O)NCC(=O)O,CID645395,,,,,,,,0.0,,,,,0.0,,,,
CCOC(=O)c1cc(C(O)(C(F)(F)F)C(F)(F)F)c(/N=C/N(C)C)o1,CID3000219,,,,,,,,,0.0,,,,,,,,
CSCCC(NC(=O)c1ccco1)C(=O)O,CID2787076,,,,,,,,,0.0,0.0,,,,,,,
CC(=O)NC(O)C(=O)c1ccco1,CID3239491,0.0,,,,0.0,,,,,,,0.0,,0.0,,,
CC(C)(C#N)NC(=O)c1ccco1,CID565206,,,0.0,,,,,0.0,,,,,,,,,
C/C(=N\NC(=O)c1ccc(Br)o1)C(C)C,CID902938,,,,,,,,,,,,,,,0.0,,
CC(/C=C/c1ccc(C)o1)=C\C(=O)O,CID871785,,,,,,,,,0.0,,,,,,,,
O=C(O)C(O)c1ccco1,CID86860,,,,,,,,0.0,,,,,,,,,
COC(=O)/C=C/C(=O)NCc1ccco1,CID1820304,,,,,,0.0,,,,,,,,,,,
CC(/C=C/c1ccc(Cl)o1)=C\C(=O)O,CID1958069,,,,,,,,,,,,,,,,,0.0
CCCCSCc1ccc(C(=O)O)o1,CID1939399,,,,,,,,,,0.0,0.0,,,0.0,,,
CCCCNC(=O)COC(=O)c1cc(C)oc1C,CID2435792,,,,,,,,,,,,,,0.0,,,
Cc1ccc(/C=N/NC(=S)NC(C)C)o1,CID2369594,,,,,,,,,,,,,,,0.0,,
CC(C)C(NC(=O)NCc1ccco1)C(=O)O,CID664275,,,,,,,,,,0.0,,,,,,,
CCCCNC(=S)NNC(=O)c1ccoc1C,CID4081605,,,,,,,,,,,,,,0.0,,,
CCCCNC(=O)NS(=O)(=O)c1ccc(C(=O)OC(C)C)o1,CID650691,,0.0,0.0,,0.0,,,,,0.0,,,,,,0.0,
CCCCNC(=O)NS(=O)(=O)c1ccc(C(=O)OC)o1,CID2239289,,,,,0.0,,,,,,,,,,0.0,0.0,
CSCCC(NC(=O)c1ccc(C)o1)C(=O)O,CID653688,,0.0,,,,,,0.0,0.0,,,,,,,,
CC(C)(C)NC(=O)c1ccc(COCC(F)(F)F)o1,CID891927,,,,,,,,,,,,,,,,,0.0
CCC(C)C(NC(=O)OC(C)(C)C)C(=O)NCc1ccco1,CID2999283,,,0.0,,,0.0,,0.0,,,,,,,,,0.0
CSCCC(NC(=O)c1cc(C)oc1C)C(=O)O,CID2921036,,,,,,,,,0.0,0.0,,,,,,,
C/C(NO)=C(/N=O)c1ccc(C)o1,CID5405553,,,,,,,,,,,,0.0,,,,,
O=C(NCc1ccco1)NCC(F)(F)F,CID934750,,,,0.0,,,0.0,,0.0,,,,,,,,0.0
Cc1ccc(C(=O)NCCCC(=O)O)o1,CID573299,,,0.0,0.0,,,,,,,,,,,,,
CCCCOC(=O)c1ccc(S(N)(=O)=O)o1,CID2299113,,,,,,,,,,,,,,,0.0,,
COC(=O)C(NC(=O)NCc1ccco1)C(C)C,CID663783,,,,,0.0,,0.0,0.0,,0.0,0.0,,0.0,,,0.0,
O=C(O)CC(SCc1ccc(C(=O)O)o1)C(=O)O,CID660371,,,,,0.0,,,,,,,,,,,,
Cc1occc1C(=O)NC(C)C(C)(C)C,CID2970515,,,,,,,,,,,,,,,,0.0,0.0
CC/C(C)=N/NC(=S)NCc1ccco1,CID4124611,,,,,,,,,,,,,,0.0,,,
Cc1cc(C(=O)OCC(=O)NC(C)C)c(C)o1,CID2427689,,,,,,0.0,,,,,,,,,,,
O=C(O)c1ccc(COCC(F)(F)C(F)F)o1,CID660901,,,,,,,,,,,,0.0,,,,,0.0
CC(C)(C)NC(=S)NCc1ccco1,CID2900989,,,,,,,,,,,,,,0.0,,,
CC(C)(/C=N/O)/[N+]([O-])=C/c1ccco1,CID909770,,,,0.0,,,0.0,0.0,,,,,,,,0.0,
Cc1oc(C)c(C(=O)NCCCC(=O)O)c1C(=O)NCCCC(=O)O,CID3240766,,,,,,,,,,,0.0,,,,,,
CCc1oc(C(=O)O)cc1COC,CID644468,,,,,,,0.0,,,,,,,,,,
CCCCSCc1cc(C(=O)O)oc1C(C)(C)C,CID1750876,,,,,,,,,,,,,,0.0,,,
CCCCCCCC(=O)N/N=C/c1ccco1,CID573474,,,,,,0.0,,,,,,,,,,,
CS(=O)(=O)NCCSCc1ccco1,CID2288230,,,,,,,0.0,,,,,,,,,,
CCOC(=O)c1cc(C(C)(C)C)oc1CN,CID607286,,,,,0.0,,0.0,,,,,,,,,,
COC(=O)C(C)NC(=O)NCc1ccco1,CID5389747,,,,,,0.0,,,,,,,0.0,,,,
CCOC(=O)C1CCN(C(=O)c2cc(OCC)c(OCC)c(OCC)c2)CC1,CID1147488,,,,,,,,0.0,,,0.0,,,,0.0,,
CC(C)C(=O)Nc1cccc(C(=O)N2CCCCC2C)c1,CID2938674,,,,,,,,,,0.0,,,,,,,
CC1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C(C)C1,CID2961203,,,,,,,,,0.0,,,,,,,,
Cc1ccc(C(=O)N2CCC(C)CC2)cc1C,CID789001,,,,,,,,,0.0,0.0,0.0,,,,,,
NC(=O)C1CCN(C(=O)c2cccc(F)c2)CC1,CID2876950,,,,,,0.0,,,,,,,,,,,
CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCCCC2)c1,CID969636,,,,0.0,,,,,0.0,,,,,0.0,,,0.0
COC(=O)C1CCN(C(=O)c2ccc(NC(C)=O)cc2)CC1,CID787303,,,,,,0.0,0.0,,,,,,0.0,,,,
COC(=O)C1CCN(C(=O)c2ccccc2NC(C)=O)CC1,CID787300,,0.0,,,,,0.0,,,,,,,,,0.0,
NC(=O)C1CCN(C(=O)c2ccccc2F)CC1,CID774079,,,,,,0.0,,,,,,,,,,,
CCOC(=O)C1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1,CID789224,,,,,,,0.0,,,,,,,,,,
CCOC(=O)C1CCN(C(=O)c2ccc(SC)cc2OC)CC1,CID748520,,,0.0,,,,0.0,0.0,,0.0,,,,,,0.0,
CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCCCC2)cc1,CID800172,,,,,,,,,0.0,,,0.0,,,,,
CCOC(=O)C1CCCN(C(=O)c2cccc([N+](=O)[O-])c2C)C1,CID2904408,,,,,,,,,,,,,,,0.0,,
Cc1c(C(=O)N2CCC(C)CC2)cccc1[N+](=O)[O-],CID702210,,,,,,,,,,,,,,0.0,0.0,,
CC(C)CNS(=O)(=O)c1ccccc1C(=O)N1CCCCC1,CID3237889,0.0,0.0,,0.0,,,0.0,,,,0.0,0.0,,,,0.0,0.0
CCCCC(=O)Nc1ccc(C(=O)N2CCCC(C(=O)OCC)C2)cc1,CID2957284,,0.0,0.0,,0.0,,0.0,,,,0.0,,0.0,,,,
CCCCC(=O)Nc1ccc(C(=O)N2CCC(C(=O)OCC)CC2)cc1,CID2209493,,,,,,0.0,,,0.0,,0.0,0.0,,,,,
CCOC(=O)C1CCCN(C(=O)c2ccccc2SCCOC)C1,CID2963128,,,,,,,,,0.0,0.0,,,,,,0.0,
CC(C)(C)NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1,CID1314625,0.0,,,,,,0.0,,0.0,,,0.0,,,0.0,,0.0
CCOC(=O)C1CCCN(C(=O)c2ccccc2[N+](=O)[O-])C1,CID2904165,,,,,,,,,,,,,,,0.0,,
COC(=O)Nc1ccccc1C(=O)N1CCCCC1,CID747969,,,,,,,0.0,,,0.0,,,0.0,,,0.0,
CC1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1,CID721229,,,,,,0.0,,,,,,,,,,,
CCOC(=O)C1CCN(C(=O)c2ccc(N(C)S(C)(=O)=O)cc2)CC1,CID1006637,,,,,,,,,,,,,,0.0,,,
CC1CCCN(C(=O)c2cc(F)c(F)cc2Cl)C1,CID2971491,,,,,,,0.0,,,,,,,0.0,,,
CCOC(=O)C1CCCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)C1,CID2905661,,,,,,,,,,,,,,,0.0,,
CCOC(=O)C1CCN(C(=O)c2cccc(Cl)c2)CC1,CID798973,,,,0.0,,,,,,0.0,,0.0,,0.0,,0.0,0.0
CS(=O)(=O)Nc1ccc(C(=O)N2CCCCC2)cc1,CID961784,,0.0,,,,,0.0,,,0.0,0.0,,,,,,0.0
CCCOC1CCCN(C(=O)c2cc(Cl)c(Cl)cc2C(=O)O)C1,CID646282,,,,,,,0.0,,,,,,0.0,,,,
CCOC(=O)C1CCN(C(=O)c2ccc(OC)cc2OC)CC1,CID596777,,,,,,,,,,,,,,,0.0,0.0,
COC(=O)C1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1,CID644602,,,0.0,,,0.0,,,,,,,0.0,,,,
COc1ccc(C(=O)N2CCC(C(=O)O)CC2)cc1,CID738124,,,,,,,,,0.0,0.0,,,,,0.0,,
O=C(O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1,CID738125,,,,,,,,,0.0,0.0,,,,0.0,,,
CCOC(=O)C1CCCN(C(=O)c2ccc(OCC)cc2)C1,CID2905685,,,,,,,0.0,,0.0,,0.0,,,,,0.0,
CCOC(=O)C1CCN(C(=O)c2ccccc2N(C)S(C)(=O)=O)CC1,CID1091808,,,0.0,,,,,,,,,,0.0,,,0.0,
CCOC(=O)C1CCCN(C(=O)c2ccc(OC(C)=O)cc2)C1,CID2904128,,0.0,0.0,,,,,,,,,,0.0,,0.0,,
CCOc1ccccc1C(=O)N1CCCCC1C,CID2932679,,,,,,,,,0.0,0.0,,,,,,0.0,0.0
O=C(O)CCCC(=O)Nc1ccc(C(=O)N2CCCCC2)cc1,CID892450,,0.0,0.0,0.0,,,,,0.0,,,,0.0,,,,
CN(c1ccc(C(=O)N2CCCCC2)cc1)S(C)(=O)=O,CID848216,,,0.0,0.0,,,,,0.0,,,0.0,,,,0.0,
CC1CCN(C(=O)c2ccc(N(C)S(C)(=O)=O)cc2)CC1,CID900491,,,,0.0,,,0.0,,0.0,,,0.0,,,,,0.0
CCOC(=O)C1CCCN(C(=O)c2cc(Cl)ccc2Cl)C1,CID652302,0.0,,,0.0,,,0.0,,,,,,0.0,,,,0.0
CCOC(=O)C1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1,CID2905429,,,,,,,,,,,,,,,0.0,,
CC1CCN(C(=O)c2ccc(NS(C)(=O)=O)cc2)CC1,CID2224793,,0.0,,0.0,,,0.0,,,,,,,,,,0.0
C=CCc1cc(C(=O)N2CCCCC2)ccc1O,CID889929,,,0.0,,,,,,0.0,0.0,0.0,,0.0,,,0.0,
Cc1ccccc1C(=O)N1CCC(C(=O)O)CC1,CID754891,,,,,,,,,0.0,0.0,,,,,0.0,,
NC(=O)C1CCCN(C(=O)c2ccc(Cl)cc2)C1,CID2940154,,0.0,,0.0,,,,,,0.0,,,,,,0.0,
NC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1,CID2366527,,,,0.0,,,,,,,,0.0,,,,,0.0
O=C(c1ccc(C(F)(F)F)cc1)N1CCCCC1,CID620616,,,,,,,,,,,,,,,,,0.0
COC(=O)C1CCN(C(=O)c2ccc(SC)cc2OC)CC1,CID660031,,,,,,,0.0,0.0,0.0,,,,,,,0.0,
CCOC(=O)C1CCCN(C(=O)c2ccccc2NC(C)=O)C1,CID2904709,,,,,,,,,,0.0,,,,,,,
CCCCOc1ccc(C(=O)N2CCC(C)CC2)cc1,CID2232304,0.0,,,,,,0.0,,0.0,,,,,,,0.0,
CCOC(=O)C1CCN(C(=O)c2ccccc2NC(C)=O)CC1,CID869427,0.0,,,,,0.0,,0.0,,,,,0.0,,,,
O=C(O)CCCC(=O)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1,CID1288839,,,,,,,0.0,,,0.0,,,0.0,,,,
Cc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1C,CID2935139,,,0.0,,,,,0.0,,0.0,,0.0,,,,,
CCOC(=O)C1CCN(C(=O)c2ccc(OCC)c(OCC)c2)CC1,CID655543,,,,0.0,,,0.0,0.0,,,,0.0,,,,0.0,
CCC(C)NC(=O)C1CCN(C(=O)c2ccccc2)CC1,CID2920239,,,,,0.0,0.0,,0.0,,,,,,,,0.0,0.0
CC1CCCCN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-],CID2930611,,,,,,,,,,,,,,,0.0,,
CCOC(=O)C1CCN(C(=O)c2cccc(NC(=O)C(CC)CC)c2)CC1,CID1241658,,,,,,,,0.0,0.0,0.0,0.0,0.0,,,0.0,,
CCOC(=O)C1CCCN(C(=O)c2ccccc2SCC)C1,CID2957121,,,,,,0.0,,,0.0,,,,,,,,
Cc1cc(C)cc(C(=O)N2CCC(C(N)=O)CC2)c1,CID976400,0.0,,0.0,0.0,,,0.0,,,0.0,,0.0,,,,,
CC(=O)NCC12CC3CC(C1)CC(C(=O)O)(C3)C2,CID3240988,,,,,,0.0,,,,,,,,,,0.0,0.0
COCCNC(=S)NC12CC3CC(CC(C3)C1)C2,CID2921011,,,,,,,,,,,0.0,,,,,,
CNC(=O)NCC12CC3CC(CC(C3)C1)C2,CID2999352,,,,0.0,,,,0.0,,,,0.0,0.0,,,,
CCCCNC(=O)NC(C(=O)OC)C12CC3CC(CC(C3)C1)C2,CID2882743,,,,,,0.0,,,,,,,,,,,
CCCC(=O)NC1C2CC3CC(C2)CC1C3,CID894015,,,,,,,,0.0,,,,,,,,0.0,
O=C(O)CSCNC(=O)CC12CC3CC(CC(C3)C1)C2,CID3242766,,0.0,,,,,0.0,0.0,,,,,,,,,0.0
CC(Cl)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2,CID4961825,,,,,,,,,,,,,,0.0,,,
COC(=O)CC12CC3CC(C1)CC(CC(=O)OC)(C3)C2,CID3284558,,,,,,0.0,,,,,,,,,,,
CN(C(=O)NC(=O)NC1C2CC3CC(C2)CC1C3)S(C)(=O)=O,CID2333060,,,,0.0,,,,0.0,0.0,,,,,,,0.0,0.0
CC(C)OCCCNC(=O)NC12CC3CC(CC(C3)C1)C2,CID662325,,,,0.0,,,0.0,,,,,,,,,,
CC(=O)NC12CC3CC(C)(C1)CC(NC(C)=O)(C3)C2,CID2842691,,,0.0,,,,0.0,0.0,,0.0,,,,,,,0.0
CC(=O)NC(C)C12CC3CC(CC(C(=O)O)(C3)C1)C2,CID2940952,,,,,,,,,,0.0,,,,,,,
COCCNCC(=O)NC12CC3CC(CC(C3)C1)C2,CID658856,,,,,,,0.0,0.0,,,,0.0,,,,,
O=C(O)CNC(=O)CC12CC3CC(CC(C3)C1)C2,CID975120,,,,,,,,,,,,,0.0,,,0.0,
CC(O)CNC12CC3CC(CC(C3)C1)C2,CID4240030,,,,,,,,,,,,,,,0.0,,
CCN(CC)CCOC(=O)C12CC3CC(CC(C3)C1)C2,CID212873,,,,,,,,0.0,,,0.0,,,,,0.0,
CC(C)NC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2,CID2886355,,,,,,0.0,,,,,,,,,,,
CC(C)NC(=O)NC1C2CC3CC(C2)CC1C3,CID2133297,,,,0.0,,,,,,,,0.0,,,,0.0,
C=CCNC(=S)NC12CC3CC(CC(C3)C1)C2,CID2827999,,,,,,0.0,,,,,,,,,,,
O=C(NCCCO)NC12CC3CC(CC(C3)C1)C2,CID2235217,,,,,,,,,,0.0,,0.0,,,,,
CCC(CC)C(=O)OCC(=O)NC12CC3CC(CC(C3)C1)C2,CID4520223,,,,,,0.0,,,,,,0.0,,,,,
CC(SC#N)C(=O)C12CC3CC(CC(C3)C1)C2,CID584851,,,,,,,,,,,,,,,0.0,,
COC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2,CID3920722,,,,,,,,,,,,,,0.0,,,
CCCCN(C(=O)NC(=O)NC1C2CC3CC(C2)CC1C3)S(C)(=O)=O,CID2333074,,,,,,0.0,,0.0,,,,,,,,0.0,
CC(NC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)O,CID2770857,,,,,,,,,,0.0,,,,,,0.0,
COC(=O)NCC12CC3CC(C1)CC(CNC(=O)OC)(C3)C2,CID658946,0.0,0.0,,,,,,,,,,,,,,,
CCCNC(=O)NC(C)C12CC3CC(CC(C3)C1)C2,CID2829891,,,,,,,,,,,0.0,,,,,,
CNC(=O)CC12CC3CC(CC(C3)C1)C2,CID610088,,,,,,0.0,,,,,,,,,,,
CC(C)NC(=S)NNC(=O)C12CC3CC(CC(C3)C1)C2,CID2954370,,,,,,,,,,,,0.0,,,,,
C/C(=N\NC(N)=S)C12CC3CC(CC(C3)C1)C2,CID2829257,,,,,,,,,,,,,,0.0,,,
COCCC(=O)NC12CC3CC(CC(C3)C1)C2,CID585548,,,,0.0,,,,,,,,,,,,0.0,0.0
C=CCNC(=O)C12CC3CC(C1)CC(C(=O)NCC=C)(C3)C2,CID2210330,,,0.0,,,,0.0,,,,,,,,,,
CCNC(=O)OCCC12CC3CC(CC(C3)C1)C2,CID5173684,,,,,,,,,,,,,,,0.0,,
CC(C)C(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)O,CID2999992,,,,0.0,,,0.0,,,,,,,,,0.0,
O=C(NCCCO)C12CC3CC(CC(C3)C1)C2,CID1933432,,,,,,,,,,,,0.0,,,,,
NC(=O)NCC12CC3CC(CC(C3)C1)C2,CID729273,,,,0.0,,,0.0,0.0,,0.0,,0.0,,,0.0,,
NCC(O)COCCC12CC3CC(CC(C3)C1)C2,CID658454,,,,,0.0,,0.0,,,,,,,,,,
CC(C)(C)NC(=O)NC12CC3CC(CC(C3)C1)C2,CID2834334,,,,,,0.0,,,,,,,,,,,
O=C(CC12CC3CC(CC(C3)C1)C2)NCO,CID767017,,,,0.0,,0.0,0.0,,,,,,,,,,
NC(=O)COC(=O)CC12CC3CC(CC(C3)C1)C2,CID1505703,,,,,,,,,,,,,,0.0,,,
CC(=O)NC(C)C12CC3CC(CC(CC(=O)O)(C3)C1)C2,CID2941853,,,,,,,,0.0,,,,,,,,0.0,0.0
CCC12CC3CC(C1)CC(C(=O)O)(C3)C2,CID2736354,,,,,,0.0,,,,,,,,,,,
CCCNC(=O)NC(C(=O)OC)C12CC3CC(CC(C3)C1)C2,CID2999654,,,,0.0,,,,,0.0,,,,,,,0.0,
C=CCNC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2,CID2885888,,,,,,0.0,,,,0.0,,,,,,,
COC(=O)CNC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2,CID2944994,,,,0.0,,,,,,,,,,,,0.0,
CCOCCCNC(=O)NC12CC3CC(CC(C3)C1)C2,CID662491,,,,0.0,,,,0.0,,,,,,,,,
NC(=O)CC12CC3CC(C1)CC(CC(N)=O)(C3)C2,CID541702,,0.0,,,0.0,,0.0,0.0,,,,0.0,,,,,
COC(=O)C(C)NC(=O)C12CC3CC(CC(C3)C1)C2,CID2999267,,,,,,,,,,,0.0,,,,,,
COC(=O)C(NC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C,CID2829672,,,,,,0.0,,,,,,,,,,,
CC(=O)CC(=O)NC1C2CC3CC(C2)CC1C3,CID879553,,,0.0,,,,0.0,0.0,,,,,,,,,
C/C(N)=C(/C#N)C(=O)COC(=O)CC12CC3CC(CC(C3)C1)C2,CID6051700,,,,,,,,,,,0.0,0.0,,,,,
O=C(O)CSC12CC3CC(C1)CC(C(=O)O)(C3)C2,CID2828170,,,0.0,,,,,,0.0,,,,,,,,
CCNC(=O)NC(C(=O)OC)C12CC3CC(CC(C3)C1)C2,CID3246770,,,,,,,,0.0,,,,,0.0,,,,
CC(C)C(NC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)O,CID3241135,,,,,,,0.0,,,,,,,,,,
NC(CSC12CC3CC(CC(C3)C1)C2)C(=O)O,CID3000021,,,,,0.0,,,,,,,,0.0,,,,
CC(NC(N)=O)C12CC3CC(CC(C3)C1)C2,CID2835837,,,,0.0,,,0.0,,,0.0,,0.0,,,,,0.0
CCCCCN(C(=O)NC(=O)NC1C2CC3CC(C2)CC1C3)S(C)(=O)=O,CID2333053,,,,0.0,,,,,,,,,,,,,
CC12CC3(C)CC(C)(C1)CC(C(=O)NCC(=O)O)(C2)C3,CID2961177,,,,,,,,,,,,,,,0.0,,
CSC(=O)NC12CC3CC(CC(C)(C3)C1)C2,CID2842876,,,,,0.0,0.0,0.0,,0.0,,,,,,,,
CCC(=O)Nc1nc2ccccc2n1Cc1ccccc1,CID867488,,,,,0.0,,0.0,0.0,,,,,0.0,,,0.0,
CSc1nc2ccccc2n1Cc1cccc(F)c1,CID974764,,,0.0,,,,0.0,,,,,,0.0,,,,
COc1ccc(Cn2c(SC)nc3ccccc32)cc1[N+](=O)[O-],CID974763,,,,,,,,,,,,0.0,,,,,
CCc1nc2ccccc2n1Cc1ccc(OC)c(OC)c1,CID653319,,,,,,,,,,,,,0.0,,,,
COc1ccc2c(c1)nc(N)n2Cc1ccccc1,CID661586,,,,,,0.0,0.0,,,,,0.0,,,,,
CCS(=O)(=O)c1nc2ccccc2n1Cc1ccccc1Cl,CID940252,0.0,0.0,,,0.0,,0.0,,,0.0,0.0,,,0.0,,,
CC(=O)NCCc1nc2ccccc2n1Cc1ccccc1,CID962534,0.0,,,,0.0,0.0,,,,,,,,,,0.0,
COc1cccc(Cn2cnc3c(N)c(C)c(C)cc32)c1,CID1479108,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C)c(Cn2c(C(C)O)nc3ccccc32)c1,CID2945973,0.0,0.0,,,0.0,,,,,,,,,,0.0,0.0,
CCC(=O)NCCc1nc2ccccc2n1Cc1ccccc1,CID718241,,,,,,,,,,,,0.0,,,,,
CN(C)C(=O)CSc1nc2ccccc2n1Cc1ccccc1,CID851291,,,,,,,,,,,,,,,0.0,,
CCc1nc2ccccc2n1Cc1ccccc1OC,CID660757,0.0,,0.0,,,,0.0,0.0,,,,,,,,,
COc1cccc(Cn2cnc3c([N+](=O)[O-])c(C)c(C)cc32)c1,CID1479107,,,,,,,,,,,,,,0.0,,,
CCOc1ccc2c(c1)ncn2Cc1ccccc1,CID760402,,,,,,,,,,,,,,,0.0,,
CCC(=O)NCc1nc2ccccc2n1Cc1ccccc1F,CID751080,,,0.0,,,,0.0,,,,,0.0,,,,,
CC(=O)NCc1nc2ccccc2n1Cc1ccccc1C,CID4091637,0.0,,,,0.0,,,0.0,,,,,,,,0.0,
CC(=O)NCCc1nc2ccccc2n1Cc1ccc(C)cc1,CID3160764,,,,,,,,,,,,0.0,,,,,
Cc1cc(C)c(C)c(Cn2c(CO)nc3ccccc32)c1C,CID962412,,,,,,,,,0.0,,0.0,0.0,,,,,
COCc1nc2ccccc2n1Cc1ccccc1Br,CID667187,0.0,,,,,,0.0,,0.0,,,,,,,0.0,0.0
O=CNCCCc1nc2ccccc2n1Cc1ccccc1,CID666636,0.0,,,0.0,0.0,0.0,0.0,0.0,,,,,,,,0.0,
Cc1cc2c(ncn2Cc2ccccc2)c([N+](=O)[O-])c1C,CID2768821,,,,,,0.0,,,,,,,,0.0,,,
CCC(=O)Nc1nc2ccccc2n1Cc1ccccc1C,CID658262,0.0,,,,0.0,0.0,,0.0,,,,0.0,,,,,
CC(=O)NCc1nc2ccccc2n1Cc1ccccc1F,CID3245663,,,,,,,,,,,,,,,0.0,,
NC(=O)CSc1nc2ccccc2n1Cc1ccccc1F,CID941555,,0.0,,,,,0.0,0.0,,,,,,,,,0.0
Cc1cc2c(ncn2Cc2ccccc2)c(NS(C)(=O)=O)c1C,CID1474155,,,,,,,,,,,,0.0,,,,,
CC(C)N(C(=O)CSc1nc2ccccc2n1Cc1ccccc1)C(C)C,CID1470401,,,,,,,,,,,,0.0,,,,,
CC(C)N(C(=O)CSc1nc2ccccc2n1Cc1ccc(F)cc1)C(C)C,CID1470403,,,,,,,,,,,,0.0,,,,,
Cc1ccccc1Cn1cnc2ccccc21,CID571156,,,,,,,,,,,,,,,0.0,,
COc1ccc(Cn2cnc3c([N+](=O)[O-])c(C)c(C)cc32)cc1,CID1476359,,,,,,,,,,,,,,0.0,0.0,,
CC(=O)NCCCc1nc2ccccc2n1Cc1ccc(C)cc1,CID2948299,,,,,,,,,,,,0.0,,,0.0,,
CSc1nc2ccccc2n1Cc1cccc([N+](=O)[O-])c1,CID946161,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccc(Cn2c(S(=O)(=O)O)nc3ccccc32)cc1,CID3159971,,,,,,,,,,,,0.0,,,,,
COc1ccccc1Cn1c(CCCO)nc2ccccc21,CID660366,,,,0.0,0.0,,,,,,,0.0,,0.0,,0.0,0.0
CC(=O)Nc1nc2ccccc2n1Cc1ccccc1,CID799607,,,,,,,,,,,0.0,,,,,,
COc1ccc(Cn2c(CCCO)nc3ccccc32)cc1OC,CID660593,0.0,,,0.0,0.0,,0.0,,0.0,,0.0,0.0,0.0,,,,
COc1ccc(C)cc1Cn1c(S(C)(=O)=O)nc2ccccc21,CID752317,,,,0.0,,,,,0.0,,,0.0,0.0,0.0,,,
CCC(=O)NCCc1nc2ccccc2n1Cc1ccc(C)cc1,CID2948195,,,,,,,,,,,,0.0,,,,,
CCC(=O)Nc1nc2ccccc2n1Cc1ccc(C)cc1,CID780272,0.0,,,,0.0,0.0,0.0,0.0,,,,,,,,0.0,
CC(c1ccccc1)n1cnc2ccccc21,CID2898048,,,,0.0,,,,,,,,,,0.0,,0.0,
O=S(=O)(O)c1nc2ccccc2n1Cc1ccc(Cl)cc1,CID661479,0.0,0.0,,0.0,,,,,,0.0,,,,,,,0.0
CCc1nc2ccccc2n1Cc1ccc([N+](=O)[O-])cc1,CID828342,,,,,,0.0,,,,,,,,,,,
COc1ccc(Cn2c(SC)nc3ccccc32)cc1,CID671802,,,,,,0.0,,,,,,,,,,,
Cc1ccccc1Cn1c(C(C)O)nc2ccccc21,CID646628,0.0,,,,0.0,,,,,0.0,,,,,,,
CCSc1nc2ccccc2n1Cc1cccc([N+](=O)[O-])c1,CID692710,,,,,,,,,,,,,,0.0,0.0,,
COCc1nc2ccccc2n1Cc1ccccc1,CID646045,,,,,,,,0.0,,,,,0.0,0.0,0.0,0.0,
CC(O)c1nc2ccccc2n1Cc1ccc([N+](=O)[O-])cc1,CID626754,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C)c(Cn2c(CO)nc3ccccc32)c1,CID962431,0.0,,,,0.0,,,0.0,,0.0,,,0.0,,,,
Cc1ccccc1Cn1cnc2c([N+](=O)[O-])c(C)c(C)cc21,CID1476363,,,,,,,,,,,,0.0,,0.0,0.0,,
Cc1cccc(Cn2cnc3c(NS(C)(=O)=O)c(C)c(C)cc32)c1,CID1476361,,,,,,,,,,,,0.0,,,,,
COCc1nc2ccccc2n1Cc1cccc(C)c1,CID962506,,,,,,0.0,,,0.0,,,,,0.0,,,
Cc1ccccc1Cn1cnc2c(NS(C)(=O)=O)c(C)c(C)cc21,CID1479115,,,,,,,,,,,,0.0,,,,,
COCc1nc2ccccc2n1Cc1ccc(Br)cc1,CID768120,,,,,,,0.0,,0.0,,0.0,0.0,,,,0.0,
O=S(=O)(O)c1nc2ccccc2n1Cc1ccccc1,CID2772580,,,,,,0.0,,,,,,0.0,,,,,
Cc1cccc(Cn2c(C(C)O)nc3ccccc32)c1,CID2928015,,,,,0.0,,,0.0,,,,,,,,,
CC(=O)Nc1nc2ccccc2n1Cc1ccccc1C,CID658383,0.0,,,,0.0,,0.0,,,,,,,,,,
Fc1ccc(Cn2cnc3ccccc32)cc1,CID755572,,,,,,,,,,,0.0,,,,,,
CCCOc1ccc(Cn2cnc3ccccc32)cc1,CID1831782,,,0.0,,,,,,,0.0,,,,,,0.0,
NC(=O)CS(=O)(=O)c1nc2ccccc2n1Cc1ccccc1F,CID942488,,0.0,0.0,,,,,0.0,0.0,0.0,,,,,,,
Cc1cc(S(=O)(=O)N2CCN(c3ccccc3C)CC2)ccc1F,CID1259136,,,,,,,,,,,,,,,,,0.0
O=[N+]([O-])c1cc(Cl)ccc1N1CCN(S(=O)(=O)c2ccccc2)CC1,CID617529,,,,,,0.0,,,,,,,,,,,
NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1,CID2116296,,,,,,,,,,,,,,0.0,0.0,,
CCOc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1,CID1179548,,,,0.0,0.0,,,,,,,,,,,,
COc1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)cc1,CID1305618,,,,,,,,,,,,,,,,,0.0
COc1ccc(S(=O)(=O)N2CCN(c3ccc(C)cc3C)CC2)cc1OC,CID1262214,,,,,0.0,,,0.0,,0.0,,,,,0.0,,
CCOc1ccc(S(=O)(=O)N2CCN(c3ccc(C)cc3C)CC2)cc1,CID1262216,,,,,,,0.0,,,0.0,,,0.0,0.0,,,
COc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1,CID2280662,,0.0,0.0,,0.0,,,,,0.0,,,,,,,
CC1CN(c2ccc([N+](=O)[O-])cc2)CCN1S(=O)(=O)c1ccccc1,CID2890543,,,,,,0.0,,,,,,,,,,,
COc1ccccc1N1CCN(S(=O)(=O)c2ccccc2F)CC1,CID1190491,,,,,,,0.0,,,0.0,,,0.0,,,,0.0
COC(=O)COc1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1,CID648182,,,,,,,,,0.0,,,,,,,,
COc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1,CID756017,,,,,,,,,,,,,,0.0,,,
COc1ccc(N2CCN(S(=O)(=O)c3cc(C)ccc3OC)CC2)cc1,CID1242019,,,,,,,,,,,,,,0.0,,,
COc1cc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)ccc1Cl,CID1260301,0.0,0.0,,0.0,0.0,,,,,0.0,,,,,,,
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc(C)ccc3C)CC2)cc1,CID1265650,0.0,,0.0,,0.0,,,0.0,,,,,,,,,0.0
COc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1Cl,CID660922,0.0,,,,0.0,,,,,,,,,,,,
COc1ccccc1N1CCN(S(=O)(=O)c2cccc(F)c2)CC1,CID1279860,,0.0,,,,,,,,,,,,,,,0.0
COc1ccccc1N1CCN(S(=O)(=O)c2ccc(SC)cc2)CC1,CID1043136,,,,,,0.0,,,,,,,,,,,
COc1ccc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)cc1OC,CID1201987,,,0.0,,0.0,,,,,,,,,,,0.0,
CCCC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c(F)c1,CID619281,,,,,,,0.0,,,,,,,,,,0.0
COc1cc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c(OC)cc1Cl,CID1085582,0.0,,,0.0,0.0,,,,,,,,,,,,
COc1ccc(OC)c(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)c1,CID1262254,0.0,,,,0.0,,,0.0,,,,,,0.0,,0.0,
COc1ccc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)cc1OC,CID1262256,0.0,,,0.0,0.0,,,,,0.0,,,0.0,0.0,,0.0,
COc1cccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c1,CID1281347,,,,,,,0.0,,,,0.0,,,,,,
COC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,CID1332213,,,,,,,,0.0,,0.0,,,,0.0,,,0.0
COc1ccc(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc1,CID1147613,0.0,,,,,0.0,,,,0.0,,,,0.0,,,
COC(=O)c1ccc(N2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)c([N+](=O)[O-])c1,CID5180144,,,,,,,,,,,,0.0,,,0.0,,
Cc1cc(Cl)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc1OCC(N)=O,CID992273,,,,,,,,,0.0,,,0.0,,,,,
Cc1cc(Cl)c(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1OCC(N)=O,CID992270,,,,,0.0,,0.0,,,,,0.0,,,,,
Cc1cc(Cl)c(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1OCC(N)=O,CID992271,,,,,,,,,,,,0.0,,,,,
COc1ccc(C)cc1S(=O)(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1,CID1287455,,,,,0.0,,,,,,,,,,,,0.0
COC(=O)COc1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1C,CID2214687,,,,0.0,,,,,,,,,,,,,
CCC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,CID1091555,,,,,,0.0,,,,0.0,,,,,,,
Cc1ccc(N2CCN(S(=O)(=O)c3ccc(F)c(C)c3)CC2)c(C)c1,CID2137806,,,,,,,,0.0,,,,,0.0,,,,0.0
COc1ccc(N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1,CID1163448,,,0.0,,,,,,,0.0,0.0,,,0.0,,,
Cc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1F,CID1262260,,,,,,,0.0,0.0,,,,,,,,,0.0
Cc1ccc(Br)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1,CID1202293,0.0,,,,,,0.0,,,,,,,,,0.0,0.0
CCCC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c(F)c1,CID545057,,,,0.0,,0.0,,,,,,,0.0,,,,
COc1ccc(N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1,CID1281350,,,,,0.0,,,,,,,,,,,,
CC(=O)c1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1,CID1137166,,,,,,,,,,,,,,0.0,,,
CCOc1ccccc1N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1,CID2376185,,,,,0.0,,0.0,,,,,,0.0,,,,0.0
CCOc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2ccc(C)c(C)c2)CC1,CID1290133,,,,,,,,,,0.0,,,,,,,
CCC(=O)c1cc(F)c(N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1C,CID1163790,,,,,,,0.0,,,,,,,,,,0.0
O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c(Cl)c1,CID2854812,,,,,,0.0,,,,,,,,,,,
O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1,CID2850409,,,,,,0.0,,,,,,,,,,,
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc1,CID1147635,0.0,0.0,0.0,,0.0,,,,,,,,,,,,0.0
CCc1ccccc1N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1,CID1298178,0.0,,0.0,,0.0,,,0.0,,0.0,,,0.0,,,,
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)cc1,CID1261048,0.0,,0.0,0.0,0.0,,,,,,,0.0,0.0,,,,0.0
Cc1cccc(C)c1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,CID975834,,,,,,,0.0,0.0,,,0.0,,,,,,
COc1ccccc1N1CCN(S(=O)(=O)c2ccccc2)CC1,CID673370,0.0,,,,,,,,,0.0,,,,0.0,,,
COc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1Cl,CID1076575,,0.0,,0.0,0.0,,,,,,,,,,,,0.0
CC1CN(c2ccc([N+](=O)[O-])cc2Cl)CCN1S(=O)(=O)c1ccccc1,CID2890160,,,,,,0.0,,,,,,,,,,,
CCC(=O)c1cc(F)c(N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1C,CID1163788,,,,,,,,,,,,,,,,,0.0
CCCC(=O)c1cc(F)c(N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1C,CID1163789,,,,,,,,,,,,,,,,,0.0
CCc1ccccc1N1CCN(S(=O)(=O)c2ccc(F)c(C)c2)CC1,CID2206049,,,0.0,,,,0.0,,0.0,,,,,,,,0.0
Cc1ccc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(C)c1,CID1263051,,,,,,,0.0,,,,,,0.0,,,,
CC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c(F)c1,CID613437,,,,,,,,,,,,,,,0.0,,
COc1nc(OC)nc(N(C)CCO)n1,CID793109,,,,0.0,,,0.0,0.0,0.0,,,,0.0,,,0.0,
CC(C)Nc1nc(NC(C)C)nc(N(C)C#N)n1,CID49968,,,,0.0,,,,,,,,,,,,,
CCNc1nc(NC(C)C)nc(N(C#N)CC)n1,CID649911,,,,0.0,,,,,,,,,,,,,
CCN(CC)c1nc(SCC(=O)O)nc(N(CC)CC)n1,CID789284,,0.0,,,,,,,,,,,0.0,,,,
CCN(CC)C(=O)C(C)N(C#N)c1nc(SC)nc(N(C)C)n1,CID2959773,,0.0,,,0.0,,,,0.0,0.0,0.0,,0.0,,,,
CCN(CC)c1nc(C#N)nc(N(CC)CC)n1,CID687903,,0.0,,0.0,,,,,,,,,,,,,
CC(=O)OCN(C#N)c1nc(N(C)C)nc(N(C)C)n1,CID644421,,0.0,,,,,,,,,,,,,,,
CCN(CC)C(=O)CN(C#N)c1nc(OC)nc(N(C)C)n1,CID651835,,,,,,,0.0,,,,,,,,,,
C#CCN(C#N)c1nc(NCC)nc(NC(C)C)n1,CID778508,,,,0.0,,,,,,,,,,,,,
CCOC(=O)CSc1nc(NC#N)nc(N(CC)CC)n1,CID657945,,0.0,,0.0,,,,,,,,,,,,,
COC(=O)CN(C#N)c1nc(SC)nc(N(C)C)n1,CID716441,,,,,,,,,0.0,0.0,,,0.0,,,,
CC(C)=NOc1nc(N(C)C)nc(N(C)C)n1,CID667823,,,,,,,,,,,,,,,0.0,,
CC(=O)OCCOc1nc(N(C)C)nc(N(C)C)n1,CID653990,,0.0,,,,,,,,,,,,,,,
CCOC(=O)COc1nc(N(C)C)nc(N(C)C)n1,CID657597,,,0.0,0.0,,,,,,,,,,,0.0,,
CCNc1nc(NC(C)C)nc(N(C#N)C(C)C(=O)N(C)C)n1,CID658316,,,,0.0,,,,,0.0,,,,,,,,
C#CCOc1nc(OCC#C)nc(OCC#C)n1,CID2827992,,,,0.0,,,,0.0,,,,,,,,,
CCN(C#N)c1nc(NC(C)C)nc(NC(C)C)n1,CID778511,,0.0,,0.0,,,0.0,,0.0,,,,,,0.0,,
CN(C)c1nc(C(=O)NN)nc(N(C)C)n1,CID602539,,,,,,,,,0.0,,,,,,,,
CCOC(=O)C(C(=O)OCC)N(C#N)c1nc(SC)nc(N(C)C)n1,CID658152,,,,,,,0.0,,,,,,,,,,
CCNc1nc(NC(C)(C)C)nc(N(C#N)CC)n1,CID652999,,,,0.0,,,,,,,,,,,,,
COCN(C#N)c1nc(OC)nc(OC)n1,CID869028,,,0.0,,,,,,,,,,,,,,
CCOCCOCN(C#N)c1nc(OC)nc(N(C)C)n1,CID647860,,0.0,0.0,,,,,,,,,,,,,,
CC(C)Nc1nc(NC(C)C)nc(SCC(N)=O)n1,CID845248,,,,,,,,,,,,,,0.0,,,
C=CCNc1nc(NC(C)(C)CO)nc(OCC)n1,CID3238010,,0.0,,,,,,,,,,,,,,,
CCCNc1nc(NCC)nc(OC)n1,CID2173744,,,,,,,,,,,,0.0,,,,,
CCNc1nc(OC)nc(SCC(N)=O)n1,CID2237411,,0.0,,,,,,,,,,,,,,,
CCNc1nc(NCC)nc(OCCOC(C)=O)n1,CID1893434,,,,,,,,,,,,,,0.0,,,
C=CCNc1nc(C)nc(OC)n1,CID657559,,0.0,,,,,,,,,,0.0,,,,0.0,0.0
CCNc1nc(NC#N)nc(SCC(=O)OCC)n1,CID655506,,0.0,,0.0,,,,,,,,,0.0,,,,
COCNc1nc(OCC#N)nc(N(C)C)n1,CID614000,,0.0,,,,,,,,,,0.0,0.0,0.0,,0.0,
CN(C)c1nc(N(C)C)nc(N(C)C)n1,CID2123,,0.0,,,,,,,,,,,,,,0.0,
CCOC(=O)CSc1nc(N(C)C)nc(N(C)C#N)n1,CID657983,,0.0,,0.0,,,,,,,,,,,,,
CNc1nc(N(C)C)nc(N(C)C)n1,CID27775,,,,,,,,,,,,0.0,,,,,
CC(C(=O)N(C)C)N(C#N)c1nc(N(C)C)nc(N(C)C)n1,CID657493,,,,,,,0.0,,,,,,,,,,
CC(C)Nc1nc(C#N)nc(NC(C)C)n1,CID644401,,,0.0,0.0,,,,,,,,,0.0,0.0,0.0,,
C=CCOc1nc(N(C)C)nc(N(C)C)n1,CID1819021,,,,,,,,,,0.0,0.0,0.0,0.0,,,,
CCNc1nc(NC(N)=S)nc(NC(C)(C)C)n1,CID788333,,,,,,,,,,,,,,,0.0,,
COC(=O)CN(C#N)c1nc(OC)nc(N(C)C)n1,CID654168,,0.0,,,,,,,,,,,,,,,
CC(=O)NCCOc1nc(N(C)C)nc(N(C)C)n1,CID2190946,,0.0,,0.0,,,0.0,,,,,,,,,,
CCN(CC)C(=O)C(C)N(C#N)c1nc(NC(C)C)nc(NC(C)C)n1,CID2909387,,0.0,,,,,,,,0.0,,,,,,,
COC(=O)CN(C#N)c1nc(NC(C)C)nc(OC)n1,CID785950,,,,,,,,,0.0,,,0.0,,0.0,,,
CN(C)c1nc(C(=O)OCCO)nc(N(C)C)n1,CID662956,,,,0.0,,,,0.0,,,,,,,,,
CN(C)c1nc(OCC(=O)NC(C)(C)C)nc(N(C)C)n1,CID977133,,,,0.0,,,,,,,,,0.0,,,,
CCOc1nc(NC(C)C)nc(NC(C)C)n1,CID35306,,,,,,,,,,,0.0,0.0,,,,,
CCN(CC)C(=O)CN(C#N)c1nc(NC(C)C)nc(NC(C)C)n1,CID658241,,0.0,,0.0,,,0.0,,,,,0.0,,,0.0,,
CCNc1nc(NC(C)C)nc(OCC)n1,CID779529,,,,,,,,,,,,0.0,,,,,
COc1nc(C#N)nc(N(C)C)n1,CID709138,,0.0,,0.0,,,,,,,,,0.0,,,,
CN(C)c1nc(SCC#N)nc(N(C)C)n1,CID2210509,,,,,,,,,,,,0.0,,,,,
CCNc1nc(SC(C(C)=O)C(C)=O)nc(N(C)C)n1,CID895390,,,,0.0,,,,,,,,,,,,,
CCC(C)Nc1nc(OC)nc(N(C)C#N)n1,CID657554,,,,0.0,,,0.0,,,,,,,,,,
CCN(C#N)c1nc(N(C)C)nc(N(C)C)n1,CID773462,,0.0,,0.0,,,,,,,,,,,,,
COC(=O)C(C)N(C#N)c1nc(C)nc(C)n1,CID2958776,,0.0,,,,,,,,0.0,,,0.0,,0.0,,
COc1nc(NC(C)C)nc(NC(C)C)n1,CID4928,,,,,,0.0,,,,,,0.0,,,,,
CC(C)Nc1nc(NC(C)C)nc(C(N)=O)n1,CID647855,,,,,,,,,,0.0,,,,,,,
C=CCNc1nc(NC(C)(C)CO)nc(OC)n1,CID3121124,,,,,,,,,,,,0.0,,,,,
CCCNc1nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1,CID2267441,,,,,,,,,0.0,,,,,,,,
O=C(O)c1ccc(Br)c(S(=O)(=O)N2CCCC2)c1,CID779196,0.0,,,,,,0.0,,,,,,,0.0,,,
CC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1,CID787672,,,,,,,,,,0.0,,0.0,,0.0,,,
COc1ccc(C(=O)NC(C)(C)C)cc1S(=O)(=O)N1CCCC1,CID2669474,,,,,,0.0,,,,,,,,,,,
Nc1ccc(S(=O)(=O)N2CCCC2)cc1,CID535805,0.0,0.0,,,0.0,0.0,,0.0,,,,,,,,,
NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1,CID788064,,,,,,0.0,,,,0.0,,,,,,,
CNC(=O)C1CCCN1S(=O)(=O)c1ccc(OC)cc1,CID2947888,,,0.0,0.0,,,,,,,,,0.0,,,,
Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)O,CID1217305,,,,,,,,,,,,,,0.0,,,
COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1,CID970422,,,,,,,,,,0.0,,,,,,,
COc1cc(C)c(Br)cc1S(=O)(=O)N1CCCC1,CID1259406,0.0,,,,,,,,0.0,,0.0,,,0.0,,0.0,
CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1,CID859908,,,,,,,,,,,,,,0.0,,,
CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1,CID859907,,,,,,,,,0.0,0.0,,,,0.0,,,
CCCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1,CID832746,,,,,,,,,,,,0.0,,,,,
COc1cc(C)c(Cl)cc1S(=O)(=O)N1CCCC1,CID850046,,,,,,,,,,,,,,0.0,,,
COc1ccc(S(=O)(=O)N2CCCC2)c(C)c1C,CID970938,,0.0,0.0,,,,,,0.0,0.0,,,0.0,,,,
CCOc1cc(S(=O)(=O)N2CCCC2)c(C)cc1C,CID970153,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C(=O)O)cc1S(=O)(=O)N1CCCC1,CID858146,,,,,,,,,,,,0.0,,0.0,,,
CCOc1ccc(Br)cc1S(=O)(=O)N1CCCC1,CID700235,,,,,,,,,0.0,,,,,0.0,,,
COc1ccc(Br)cc1S(=O)(=O)N1CCCC1,CID700232,,,,,,,,,0.0,,,,,,,,
NNC(=O)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1,CID3101201,,,,,,,,,,,,,,,0.0,,
COC(=O)C(C)NC(=O)C1CCCN1S(=O)(=O)c1cc(C)c(Cl)cc1C,CID2930409,,,,,,,0.0,,,,,,,,,,
CCOc1cc(C)c(S(=O)(=O)N2CCCC2)cc1C,CID850044,,,0.0,,,,0.0,0.0,0.0,,,,,,,,
CCCCNC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1,CID2434904,,,,,,,,,,,,0.0,,,0.0,,
COCCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1,CID2439660,,,,,,,,,,,,,,0.0,,,
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCCC2)c1,CID247203,,,,,,,,,,,,,,0.0,,,
CSc1ccc(S(=O)(=O)N2CCCC2)cc1,CID967574,,,0.0,0.0,,,,,,0.0,,,0.0,,,,
CCOc1ccc(S(=O)(=O)N2CCCC2)cc1,CID893819,,,,,,,,,0.0,,,,,0.0,,,
CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2C(=O)O)cc1,CID3215957,,,,,,,,,,,0.0,,,,,,
CC(=O)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1,CID595871,,,,,,,0.0,,,,,,,,,0.0,
O=S(=O)(c1ccc(F)c(Cl)c1)N1CCCC1,CID697773,,,,,,,,,,,,,,0.0,,,
CCOC(=O)CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1,CID654348,,,0.0,0.0,,,0.0,,,0.0,,,,,,0.0,
O=C(O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br,CID796412,0.0,,,,,,,,0.0,,,,,0.0,,,
CCCCNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1,CID645283,,,,,0.0,,0.0,,0.0,0.0,,,0.0,0.0,0.0,,0.0
COc1cc(C)c(S(=O)(=O)N2CCCC2)cc1C(C)C,CID1265276,,,,,,,,,,,,,,0.0,0.0,,
CCOC(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1,CID650821,,,,,0.0,,0.0,,,,,,,,,,
Cc1ccc(S(=O)(=O)N2CCCC2CO)cc1,CID297354,,,,,,,,0.0,,,,,,,,,
COc1ccc(S(=O)(=O)N2CCCC2)cc1C(C)C,CID850045,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(Cl)cc1S(=O)(=O)N1CCCC1,CID850042,,0.0,,0.0,,,,,,,,0.0,,,,,0.0
CCOc1cc(S(=O)(=O)N2CCCC2)ccc1Cl,CID850043,,,,,,,,,,0.0,,,,0.0,,,
CC(C)Cc1ccc(S(=O)(=O)N2CCCC2)cc1,CID778269,,,,,,,,,,0.0,,,,,,,
O=C(O)C1CCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1,CID2921845,,,,,,,,,,,,,,0.0,,,
Cc1cc(Cl)c(S(=O)(=O)N2CCCC2)cc1OCC(N)=O,CID851372,,,,,,,,,,,,,,,0.0,,
O=C(O)CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1,CID832683,,,,0.0,0.0,,,,,,,,0.0,,,,
COc1c(C)cc(S(=O)(=O)N2CCCC2)c(C)c1C,CID972180,,,,,,,,,0.0,,,,,0.0,,,
O=S(=O)(c1cccc(Cl)c1)N1CCCC1,CID890981,,,,,,,,,,0.0,,,0.0,0.0,,,0.0
COc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1,CID899197,,,,0.0,,,,,,0.0,,,0.0,0.0,0.0,,
CCOCCCNC(=O)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1,CID653737,0.0,,,0.0,,,,,,0.0,,,,,,,0.0
CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCCC1,CID850056,,,0.0,0.0,,,,,,,0.0,,0.0,,,,0.0
O=C(O)C1CCCN1S(=O)(=O)c1ccccc1,CID2837293,,,,,,,,,,,0.0,,,,,,
CCOC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1,CID1217147,,,,,,,,,,,,,,0.0,,,
COc1cc(C)c(S(=O)(=O)N2CCCC2)cc1C,CID849957,,,,,,,0.0,,0.0,0.0,,,0.0,0.0,,,
CCOCCCN(CCC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1,CID652961,,0.0,,,0.0,,,,0.0,,,,0.0,,,,
O=C(O)c1cccc(S(=O)(=O)N2CCCC2)c1,CID767690,,,,,,0.0,,,0.0,,0.0,0.0,,,,0.0,0.0
Cc1ccc(S(=O)(=O)N2CCCC2C(=O)O)cc1,CID563461,,,0.0,,,,,,0.0,,,,,,,,
CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2C(=O)O)cc1,CID2921826,,,0.0,0.0,,,,,,,,,,,,0.0,
CCC(C)NC(=O)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1,CID3154065,,,,,,,,,,0.0,,,,0.0,,,
COC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1,CID1216839,,,,,,,,,,,,,,0.0,,,
Cc1sc2ncn(CCC(=O)O)c(=O)c2c1C,CID646263,,,,,,,,0.0,,,,,,,,,
Cc1sc2nc(SCC(=O)NCCO)n(C)c(=O)c2c1C,CID2133511,,,,,,,,,,0.0,,,,,,,
C=CCn1c(SCC(=O)/C(C#N)=C(\C)N)nc2sc(CC)cc2c1=O,CID5742460,,0.0,0.0,,,,,,,,,,,,,,
C=CCn1c(SC(C)C#N)nc2sc(CC)cc2c1=O,CID16196310,,,,,,,,,,,,,,,0.0,,
Cc1sc2ncn(CC(=O)OCC(=O)NC(C)(C)C)c(=O)c2c1C,CID644781,,,,,,,,,0.0,,,,,,,0.0,0.0
Cc1sc2nc(SCC(N)=O)n(C)c(=O)c2c1C,CID865080,,,,,,,,,0.0,,,,,,,,
CCOC(=O)c1sc2ncn(C(CC)C(=O)OCC)c(=O)c2c1C,CID650086,0.0,,,,,,,0.0,,0.0,,,,,0.0,,
Cc1nc2sc(C)c(C)c2c(=O)[nH]1,CID857577,,,,0.0,0.0,,,,,,,,,0.0,,,
CCCOC(=O)C(C)n1cnc2sc(C)c(C)c2c1=O,CID2791262,,,,,,,,,,,,0.0,,,,,
CCCCNC(=O)C(CC)Sc1nc2sc(C(=O)OC)c(C)c2c(=O)n1N,CID4420121,,,,,,0.0,,,,,,,,,,,
CCOC(=O)CSc1nc2sc(C(=O)O)c(C)c2c(=O)[nH]1,CID2144617,,,0.0,,0.0,,,,0.0,0.0,,,,,,,
CCCNC(=O)Cn1cnc2sc(C(=O)NCCN(CC)CC)c(C)c2c1=O,CID3243879,,,0.0,,,,,,,,,,,,,,
CCCCN(CCCC)C(=O)CSc1nc2sc(C)c(C)c2c(=O)[nH]1,CID1913144,,,,,,0.0,,,,,,,,,,,
CCCCN(C)C(=O)Cn1cnc2sc(C)cc2c1=O,CID3237523,,,,,,,,,,,,,0.0,,,,0.0
Cc1c(C(=O)O)sc2ncn(C)c(=O)c12,CID655202,,,,0.0,,,,,,,,,,,,,
C=CCn1c(SCC(=O)O)nc2sc(CC)cc2c1=O,CID696833,,,,,,,,,,,,,,0.0,0.0,,
CCN(CC)C(=O)Cn1cnc2sc(C(=O)OC(C)C)c(C)c2c1=O,CID1178160,,,,,,,,,,0.0,,,0.0,,,,0.0
CCC(C)NC(=O)Cn1cnc2sc(C)cc2c1=O,CID3243636,,0.0,,,,,,,,,,,,,,,
CCN(CC)C(=O)CSc1nc2sc(C)c(C)c2c(=O)[nH]1,CID698667,0.0,,0.0,0.0,,,,,,,,,0.0,,,,
CCOC(=O)CSc1nc2sc(C)c(C)c2c(=O)[nH]1,CID719217,,,,,,,0.0,,,0.0,0.0,0.0,,,,,
Cc1cc2c(=O)[nH]cnc2s1,CID735018,,,,,,,,,,,0.0,,,,,,
C=CCn1c(SCC(=O)/C(C#N)=C(\C)N)nc2sc(C)c(C)c2c1=O,CID9551926,,,,,,0.0,,,,,,0.0,,,,,
C=CCSc1nc2sc(C)c(C)c2c(=O)[nH]1,CID619902,,,,,,,0.0,,,,,,,,,,
CCOC(=O)c1nc2sc(C)c(C)c2c(=O)[nH]1,CID3236101,,,,,0.0,,0.0,0.0,,,,,,,,,
CCc1nc2sc(C)cc2c(=O)n1CCO,CID660428,,,,,0.0,,0.0,,,,0.0,,,0.0,,,
CCC(Sc1nc2sc(C(=O)OC)c(C)c2c(=O)n1N)C(=O)N(CC)CC,CID4419918,,,,,,0.0,,,,,,,,,,,
CCCn1cnc2sc(CC)cc2c1=O,CID733687,,,,,,,,,,,,,,,0.0,,
Cc1cc2c(=O)n(NC(N)=O)c(C)nc2s1,CID647442,,,,,,,0.0,,,,,,0.0,,,,
CCOC(=O)c1sc2ncn(/N=C/N(C)C)c(=O)c2c1C,CID2856627,,,,0.0,,,,0.0,,,,0.0,,,,,
Cc1sc2nc(NCCO)[nH]c(=O)c2c1C,CID1563356,,,0.0,,,,,,,,,,,,,,
CCn1cnc2sc(C(=O)O)c(C)c2c1=O,CID714409,,0.0,,,,,,,,,,,0.0,,,,
CCCCN(C)C(=O)c1sc2ncn(CC)c(=O)c2c1C,CID3243412,,,0.0,,,,,0.0,,,,,,,,,
Cc1c(C(N)=O)sc2ncn(CC(=O)OC(C)C)c(=O)c12,CID734355,,,,,,,,,,,0.0,,,,,,
CCCn1cnc2sc(C(N)=O)c(C)c2c1=O,CID734358,,,,,,,,,,,,,,,0.0,,
CCc1cc2c(=O)[nH]cnc2s1,CID645569,,,,,0.0,,,,,,,,,,,,
Cc1sc2nc(SCC(=O)NCCOCCO)n(C)c(=O)c2c1C,CID1580696,,,,,0.0,,,,,,,,,,,,
CCOC(=O)c1sc2ncn(C(C)C(=O)OCC)c(=O)c2c1C,CID652488,,0.0,,,,,,,,,,,,,,0.0,
CCOC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1C,CID704289,,,,0.0,,,0.0,,,0.0,,,,,0.0,,
CCc1cc2c(=O)n(CC(C)C)cnc2s1,CID733713,,,,,,,,,,,,,,,0.0,,
Cc1sc2nc(SCC(=O)OC(C)C)n(C)c(=O)c2c1C,CID662492,,,0.0,,,,,,,0.0,,,,,,,
CCc1cc2c(=O)n(N)c(CCC(=O)O)nc2s1,CID877218,,,,,,,0.0,,,,,,,,,0.0,
C=CCNC(=O)CSc1nc2sc(C)c(C)c2c(=O)[nH]1,CID2131481,0.0,,,,,,0.0,,,0.0,,,0.0,,,,
CCc1nc2sc(C)c(C)c2c(=O)n1CCO,CID804847,,,0.0,0.0,0.0,,0.0,,,,,,0.0,,0.0,0.0,
COCc1nc2sc(C)c(C)c2c(=O)[nH]1,CID852984,,,,,,,,,,,,,,,0.0,,
Cc1sc2nc(SCC(=O)N(C)C)[nH]c(=O)c2c1C,CID698664,0.0,,,0.0,,,0.0,,,0.0,,,,,,,
CCOC(=O)CNC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1C,CID662671,,,0.0,,0.0,,,,,0.0,0.0,,,,,,
CCOC(=O)c1sc2ncn(CC(=O)N(CC)CC)c(=O)c2c1C,CID1689084,,,,0.0,,,,,,,,0.0,,,,,0.0
CCCCNC(=O)Cn1cnc2sc(C(=O)OCC)c(C)c2c1=O,CID1689085,,0.0,0.0,0.0,,,0.0,,0.0,,,,,,0.0,0.0,
CCOCCn1cnc2sc(C(=O)NCC(=O)OCC)c(C)c2c1=O,CID3238462,,,0.0,,,,,,,,,,0.0,,,,
C=CCSc1nc2sc(C)c(C)c2c(=O)n1CC=C,CID3122912,,,,,,,,,,0.0,0.0,,,,,,
CCOC(=O)c1sc2ncn(C(CC)C(=O)OC)c(=O)c2c1C,CID2791797,,,0.0,,,,,0.0,,,,,,,,0.0,
Cc1c(C(=O)O)sc2nc(C)n(C)c(=O)c12,CID3245705,,0.0,,,,,,,,,,,,,,,
COC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1C,CID662660,,,,,,,0.0,,,,0.0,,,,,,
Cc1sc2ncn(CC(=O)OC(C)C(=O)NC(C)(C)C)c(=O)c2c1C,CID654522,,0.0,,,,,,,,,,,,,,0.0,0.0
CCn1c(SCC(=O)NCCOC)nc2sc(C)c(C)c2c1=O,CID2491810,0.0,,,,0.0,,,,,0.0,,,,,,,
Nc1ccc(-c2nc3c(Cl)cc(N)cc3[nH]2)cc1,CID655586,0.0,,,,,,0.0,,0.0,,,,,,,,
COc1ccc2nc(-c3ccccc3)[nH]c2c1,CID745079,,,,0.0,,,,,,0.0,,0.0,,,,,
COc1ccc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1,CID895866,,,,,,,,,,,,,,,0.0,,
COc1ccc2nc(-c3ccc(N)cc3)[nH]c2c1,CID784698,,,,,,,,,,,,0.0,,,,,
CCOc1ccc2nc(-c3ccccc3)[nH]c2c1,CID648054,,,,,,0.0,0.0,0.0,,,,0.0,,,,0.0,
COCn1c(-c2cccc(Br)c2)nc2ccccc21,CID755505,0.0,,,,,,0.0,,,,0.0,,,,0.0,0.0,0.0
COCn1c(-c2ccc(OC)cc2)nc2ccccc21,CID755501,,,,,,,,,0.0,,,0.0,,0.0,,,
C=C(C)Cn1c(-c2ccc(OC)cc2)nc2ccccc21,CID661309,0.0,,,,,,,0.0,,,,,,,,,
CCNC(=S)Nc1ccc(-c2nc3ccccc3[nH]2)cc1,CID2446079,,,,,,,,,,,,,,,0.0,,
CCCn1c(-c2ccc(OC)cc2)nc2ccccc21,CID748266,0.0,,,0.0,,,0.0,0.0,,,,,,,0.0,0.0,
C=CCn1c(-c2ccc(OC)cc2)nc2ccccc21,CID748269,0.0,,,,,,,0.0,,,,,0.0,,,0.0,
CCOC(=O)C(C)On1c(-c2ccc(Cl)cc2)nc2ccc([N+](=O)[O-])cc21,CID2764985,,,,,,,,,,0.0,,,,,,,
Nc1ccc(-c2nc3c(Cl)c(N)ccc3[nH]2)cc1,CID762544,0.0,0.0,,,,,,,,,,,,,,0.0,
Cc1ccc(-c2nc3ccc(Cl)cc3n2OC(=O)N(C)C)cc1,CID1477032,,,,,,,,,,0.0,,0.0,,,,,
CC(=O)Nc1ccc(-c2nc3c(C)cccc3[nH]2)cc1,CID650556,,,,,,,,,,,,,,,,0.0,
Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1,CID3089924,,,,,,,,,,,,,,,0.0,,
Nc1ccccc1-c1nc2ccccc2[nH]1,CID79869,,,0.0,,,,0.0,,,,,0.0,,,,0.0,
CN(C)c1ccc(-c2nc3ccccc3n2C)cc1,CID744236,,,,,,0.0,,,,,,,,,,,
O=C(O)CCCC(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1,CID653154,,,,,,,,,0.0,,,,,0.0,,,
C=CCn1c(-c2ccc(N)cc2)nc2ccccc21,CID752358,,,,0.0,,,,,,,,0.0,,,,0.0,
O=[N+]([O-])c1ccc2nc(-c3ccccc3)[nH]c2c1,CID759399,,,,,,,,,,,,,,,0.0,,
On1c(-c2ccccc2Cl)nc2ccccc21,CID3633777,,,,,,,,,,,,,,,0.0,,
O=C(O)Cn1c(-c2ccccc2)nc2ccccc21,CID619876,0.0,,,,,0.0,0.0,,0.0,,,,0.0,0.0,,0.0,
O=[N+]([O-])c1ccc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1,CID74495,,,,,,0.0,,,,,,,,,,,
COc1ccc(-c2nc3ccccc3n2CCC(C)C)cc1OC,CID709717,,,,,,0.0,,,,,,,,,,,
Nc1cc(N)cc(-c2nc3ccccc3[nH]2)c1,CID652960,,,,,,,0.0,,,,,,,,,0.0,
Cn1c(-c2ccc([N+](=O)[O-])cc2)nc2ccccc21,CID774862,,,,,,,,,,,,,,0.0,0.0,,
CCOC(Cn1c(-c2ccc(OC)cc2)nc2ccccc21)OCC,CID801061,,,,,,,,,0.0,,,,,,,,
COCn1c(-c2ccc(OC)c(OC)c2)nc2ccccc21,CID755504,0.0,0.0,0.0,,0.0,,0.0,0.0,,,,,0.0,,,,0.0
COc1ccc(-c2nc3ccccc3n2OC(=O)N(C)C)cc1,CID1483104,,,,,,,,,,,0.0,,,,,,
Nc1ccc(-c2nc3ccccc3[nH]2)cc1,CID345677,,,,0.0,,,,0.0,,,,,,,,,0.0
CC(=O)Nc1cccc(-c2nc3ccc(NC(C)=O)cc3[nH]2)c1,CID647623,,,,0.0,,0.0,,,0.0,,,,,,,0.0,
COc1ccc(-c2nc3ccccc3n2OC(C)C(=O)O)cc1,CID2764966,,,,,,,,,,,,,,0.0,,,
CCn1c(-c2ccc(N(C)C)cc2)nc2ccccc21,CID666838,,,,,,0.0,,,,,,,,,0.0,,
Cc1cccc(-c2nc3ccccc3[nH]2)c1,CID2879476,,,,,,0.0,,,,,,,,,,,
CCOC(=O)COn1c(-c2cccc(Cl)c2)nc2ccc([N+](=O)[O-])cc21,CID2766813,,,,,,0.0,,,,,,,,,,,
Nc1cccc(-c2nc3ccccc3[nH]2)c1,CID348695,,,,0.0,,,0.0,,,,,,,,,0.0,
CC(C)n1c(-c2ccc(N(C)C)cc2)nc2ccccc21,CID665078,,,,,,,0.0,0.0,,,,,,0.0,,,
COc1ccc2nc(-c3cccc(N)c3)[nH]c2c1,CID754001,,,,,,,,,,,0.0,,,,,,
COCn1c(-c2ccccc2)nc2ccccc21,CID748263,,,,,,,0.0,,,,,,0.0,,,0.0,
Cc1ccc(C)c(-c2nc3ccc(N)cc3[nH]2)c1,CID818375,,,,0.0,,,,,,,,0.0,,,,0.0,
Cn1c(-c2ccc(N)cc2)nc2ccccc21,CID1540355,,,0.0,,,,0.0,,,0.0,,0.0,,,,0.0,
CN(C)C(=O)On1c(-c2ccccc2)nc2ccc(Cl)cc21,CID2766776,,,,,,,,,,,0.0,,,,,,
CCn1c(-c2ccc(N)cc2)nc2ccccc21,CID755542,,,0.0,0.0,,,0.0,,,,,,,,,,
COCCn1c(-c2ccc(OC)cc2)nc2ccccc21,CID2936337,,,,,,,,,0.0,,,,,0.0,,,
Nc1ccc2nc(-c3ccc(Cl)cc3)[nH]c2c1,CID802802,0.0,,,,,,,,,,,,0.0,,,,0.0
C=C(C)Cn1c(-c2ccccc2)nc2ccccc21,CID881644,,,,,,,0.0,,,,,,0.0,,,0.0,
COc1ccc(-c2nc3ccccc3n2OCC(=O)O)cc1,CID1476981,,,,,,,,,,,,,,0.0,,,
CCOCCn1c(-c2ccc(OC)cc2)nc2ccccc21,CID3507993,0.0,,,,0.0,,,,,,,,,,,,0.0
CCC(C)NC(=O)c1ccccc1-c1nc2ccccc2[nH]1,CID4536143,,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2nc3ccccc3[nH]2)cc1,CID345686,,,,,,0.0,,,,0.0,,0.0,,,,,
Cc1ccc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1,CID376349,,,,,,,,,,,,,,,0.0,,
COCCn1c(-c2ccc(OC)c(OC)c2)nc2ccccc21,CID2946907,0.0,,0.0,,0.0,,,0.0,,,0.0,,0.0,,,,
COn1c(-c2ccccc2)nc2ccc(Cl)cc21,CID3784890,,,,,,,,,,,,,,0.0,0.0,,
CCOCCCNC(=O)C1CCN(S(=O)(=O)N(CC(C)C)CC(C)C)CC1,CID3239925,,,,,,,,0.0,,,,,,,,,
C/C(=N\O)C(=O)NCCN1CCCCC1,CID6400908,,,,,,0.0,0.0,0.0,,,,,,,,,
CCC(C#CCN1CCCCC1)(CC)OCCC#N,CID535113,,,,,,,0.0,,,,0.0,,,,,,
CCOCC(=O)N1CCCC(C(=O)OCC)C1,CID2947372,,,0.0,,,,,,,,,0.0,0.0,,0.0,0.0,
NC(=O)C1CCCNC1,CID92980,,,,,,,0.0,0.0,,,,,,,,,
CCOCCCNC(=O)C1CCN(S(=O)(=O)CC)CC1,CID3236383,,,,,,,,0.0,,,,,0.0,,,,
CSCCC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)NC(C(=O)O)C(C)C)CC1,CID664090,,,,0.0,,,,,0.0,,,,,,,,
CCS(=O)(=O)N1CCCC(C(=O)NCCCOC(C)C)C1,CID3245840,,0.0,0.0,,,,0.0,,,,,,,,,,
C=CCNC(=O)C1CCN(S(=O)(=O)CC)CC1,CID3243609,,,,,,,,,,0.0,,,,,,,
CCNC(=S)N1CCCCC1CO,CID2958418,,,,,,,,,,,,,,,0.0,,
C=CCNC(=O)C1CCCN(S(C)(=O)=O)C1,CID3242535,,0.0,,,,,,,,,,,,,0.0,,
CO/C=C/C#CC1(O)CCN(C)CC1,CID1900114,,,,,,,0.0,,,,,,0.0,,,,
CC(=O)NC1CC(C)(C)N(OC(C)=O)C(C)(C)C1,CID708862,,,,,,,,,,,,,0.0,,,0.0,
CCOC(=O)C(C(=O)OCC)C(C)C#CCN1CCCCC1,CID2868852,,,0.0,,,,,,,,,,,,,,
COC(=O)C(CCSC)NC(=O)N1CCC(C)CC1,CID2033177,,,,,,,,,,,,,,,0.0,,
COC(=O)C1CCN(C(=O)NC(C)(C)C)CC1,CID648128,,0.0,,,,,,,,,,,0.0,,,,
CC(C)=CCCC(C)CN1CCC(O)CC1,CID2846177,0.0,,,0.0,,,,0.0,,0.0,,,0.0,,,,
COC(=O)CCN1CCC(C(N)=O)CC1,CID2095722,,0.0,,0.0,0.0,,0.0,,,,,,,,0.0,,
CCCN1CCC(NC(=O)CC#N)CC1,CID1247562,,0.0,0.0,0.0,,,0.0,,,,0.0,0.0,,,,,
C/C(=N\O)C(=O)NCC1CCNCC1,CID6411255,,,,,,,,0.0,,,,,,,,,
CCOCCCNC(=O)C1CCN(C(=O)N(C)C)CC1,CID3236681,,,,,,,,0.0,,0.0,,,0.0,,,,
CC(C)(C)OC(=O)N1CCC(C(N)=O)CC1,CID2735646,,,,,,,,0.0,,,,,,,,,
CCOC(=O)N1CCC(C(N)=O)CC1,CID3242068,,,,0.0,,,0.0,,,,0.0,,,,,,
N#CCCNC(=O)CCN1CCCCC1,CID1878794,,,,,,,,,,,,0.0,,,,,
NC(=O)CCS(=O)(=O)CCN1CCCCC1,CID727712,,,0.0,,,,,,,,,,,,,,
O=C(/C=N/O)NCCN1CCCCC1,CID6399229,,,,,,,,0.0,,0.0,,,,,,,
CC(C)NC(=O)C1CCN(C(=O)N(C)C)CC1,CID3235986,,0.0,,,,,,,0.0,,,,,,,,
CCCS(=O)(=O)N1CCC(C(=O)NCCCOCC)CC1,CID3236874,,0.0,,,,,,,0.0,,,,,,,,
CSCCC(=O)N1C(C)CCCC1C(=O)O,CID2834686,,,,,,,,,,0.0,,,,,,,
CCOC(=O)C1CCN(C(=O)N(C)C)CC1,CID1829960,,0.0,0.0,,,,,,,,,,,,,0.0,
CC(C)(C)OC(=O)N1CCC(C(=O)O)CC1,CID392871,,,,,,,,0.0,,,,,0.0,,,0.0,
COCCCNC(=O)C1CCN(S(=O)(=O)N(CC(C)C)CC(C)C)CC1,CID3241773,,0.0,,,,0.0,0.0,,,,,,0.0,,,,
CCCS(=O)(=O)N1CCCC(C(=O)NCCN(CC)CC)C1,CID3243096,,0.0,,0.0,,,,,,,,,,,,,
CCOCCCNC(=O)C1CCCN(S(=O)(=O)CC)C1,CID3245163,,,,0.0,,,,0.0,,0.0,,,,,,0.0,
C#CC1(O)CC(C)NCC1(C)CCC#N,CID657437,,,,,,,,0.0,,,,,,,,,
CN(C)CCCNC(=O)C1CCNCC1,CID2186960,,,,0.0,,,0.0,,,,,,,,,,
CC(=O)SCCC(=O)N1C(C)CCCC1C(=O)O,CID2772126,,,,,,,,0.0,0.0,,,,,,,,
CCOC(=O)C(CC(=O)O)N1CCCCC1,CID661641,,,,0.0,,,,0.0,,,,,,,,,
CCC(C)NC(=O)C1CCN(C(=O)N(C)C)CC1,CID3239385,,,,0.0,,,,,,,,0.0,0.0,,,,
CCCS(=O)(=O)N1CCC(C(=O)NCCCOC(C)C)CC1,CID3242381,,,,0.0,,,,,,,0.0,0.0,0.0,,0.0,,
CCCCC(=O)N1CCCC(C(=O)OCC)C1,CID2957207,,,,,,,,,0.0,0.0,,,,,,,
CCS(=O)(=O)N1CCCC(C(=O)NCCCOC)C1,CID3238160,,,,0.0,,,,,,,,,,,,,
CCOC(=O)C1CCN(C(=O)CNC(=O)OC(C)(C)C)CC1,CID665087,,,,0.0,,,,,,,,,,,,0.0,
N/C(CCN1CCCCC1)=N\O,CID658234,,,,,,,,,,,,,,,,0.0,
O=C(/C=N/O)NCC1CCNCC1,CID6411259,,,,,,,0.0,,0.0,,,,,,,,
CC(C)(C)OC(=O)N1CCCC(C(=O)CC#N)C1,CID651624,,,,,,,,0.0,,,,,,,,0.0,
COC(=O)C1CCN(S(C)(=O)=O)CC1,CID2763709,,,,,,,,,,0.0,0.0,,,,,,
CCC1CCCCN1C(=O)NC(CCSC)C(=O)OC,CID664773,,0.0,,0.0,,,,0.0,,,,0.0,,,,,
N/C(CCCN1CCCCC1)=N\O,CID658210,,,,,,,,,,,,0.0,,,,0.0,
CCC(C)NC(=O)C1CCN(S(=O)(=O)CC)CC1,CID3237619,,,0.0,0.0,,,,0.0,,,,,,,,,
CC(C)CCNC(=O)C1CCN(C(=O)N(C)C)CC1,CID3243850,,0.0,,,,,,,,,,,,,,,
CCCS(=O)(=O)N1CCCC(C(=O)NCCCOC(C)C)C1,CID3238832,,,,,,,0.0,0.0,,,,,0.0,,,,
CC(C)NC(=O)C1CCCN(S(C)(=O)=O)C1,CID3237649,,0.0,,,,,0.0,,,,,,,,,,
CSCCC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)NC(C)C(=O)O)CC1,CID663625,,,,,,,0.0,,,,,,,,,0.0,
Cc1ccc(C)c(-c2nc3cc(N)ccc3o2)c1,CID649840,,,,,,,0.0,,,,,,,,,0.0,
COC(=O)c1ccc(-c2nc3ccccc3o2)cc1,CID650931,,,,,,,0.0,0.0,0.0,,,,,,,0.0,
CCCC(=O)Nc1ccc2oc(-c3ccc(OC)c(Br)c3)nc2c1,CID667358,1.0,,,,,,,,0.0,,0.0,,,,0.0,,0.0
CCC(CC)C(=O)Nc1cccc(-c2nc3ccccc3o2)c1,CID893405,0.0,,,,0.0,,,,,,,,,,,,
CCc1ccc2oc(-c3ccc(N)cc3)nc2c1,CID735943,0.0,,,0.0,,,0.0,,,0.0,0.0,,,,,,
CC(C)C(=O)Nc1cccc(-c2nc3ccccc3o2)c1,CID763443,,,,,0.0,,,,,,,0.0,,,,,0.0
Cc1ccc2nc(-c3ccc(N)cc3)oc2c1,CID735990,,,,,,0.0,,,,,,,,,,,
Cc1ccc2nc(-c3cc(N)cc(N)c3)oc2c1,CID738764,,,,,,,,,,,,0.0,,,,,
Cc1ccc2nc(-c3cccc(N)c3)oc2c1,CID721026,,,,,,,,,,0.0,,0.0,,,0.0,,
CCC(=O)NC(=S)Nc1ccc2oc(-c3ccc(OC)cc3)nc2c1,CID1345435,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccc(-c2nc3ccc(C)cc3o2)cc1,CID651240,0.0,,,,,,0.0,,0.0,,0.0,,0.0,0.0,0.0,0.0,
CCc1ccc2oc(-c3cc(N)ccc3Cl)nc2c1,CID644550,0.0,,,0.0,,,,,,,,,0.0,,,0.0,
Nc1cc(N)cc(-c2nc3ccccc3o2)c1,CID767305,,,,,,,0.0,0.0,,,,,0.0,,,0.0,
Cc1cccc(-c2nc3cc([N+](=O)[O-])ccc3o2)c1,CID804363,,,,,,,,,,,,,,0.0,,,
CCCC(=O)Nc1cccc(-c2nc3cc(C)c(C)cc3o2)c1,CID875934,0.0,,,,0.0,0.0,0.0,0.0,,0.0,,0.0,0.0,,,,
COc1cccc(-c2nc3cc(C)ccc3o2)c1,CID880161,,,,,,0.0,0.0,,0.0,,,,0.0,,,,
Nc1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1,CID659499,0.0,,,,,,,,,,,,,,,,0.0
Cc1cc2nc(-c3ccc(NC(=O)C(C)C)cc3)oc2cc1C,CID878218,,,0.0,,0.0,,0.0,,,,,0.0,,,,,0.0
CC(=O)Nc1ccc2oc(-c3ccccc3Br)nc2c1,CID644527,0.0,,,,,,0.0,,0.0,,,,,,0.0,,0.0
Nc1ccc2oc(-c3cccc(Br)c3)nc2c1,CID721069,0.0,,,,,,,,,,,,,0.0,,0.0,0.0
Nc1ccc(-c2nc3ccc(N)cc3o2)cc1,CID542899,,0.0,0.0,,,,0.0,,,,0.0,,0.0,,,,
CCC(=O)Nc1ccc2oc(-c3ccccc3Br)nc2c1,CID738874,0.0,,,,,,0.0,,0.0,,,0.0,,,,0.0,0.0
Cc1ccc2oc(-c3ccccc3)nc2c1,CID81919,,,,,,,,,0.0,,,,,,,,
CC(C)c1ccc2oc(-c3ccc(N)cc3)nc2c1,CID772857,,0.0,0.0,0.0,,0.0,0.0,,,0.0,0.0,,,,,,0.0
Cc1ccccc1-c1nc2cc(Cl)ccc2o1,CID700329,,,,,,,,,,0.0,,,,,,,
Cc1ccc2oc(-c3ccc(NC(=O)CC(C)C)cc3)nc2c1,CID745954,0.0,,,,0.0,,0.0,0.0,,,,0.0,,,,,0.0
CCC(=O)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1,CID739219,,,,,,0.0,,,,,,,,,,,
CCN(CC)CC(=O)Nc1ccc(-c2nc3cc(NC(=O)CN(CC)CC)ccc3o2)cc1,CID661005,,,,,,,0.0,,0.0,,,,,,,0.0,0.0
COC(=O)c1ccc(-c2nc3cc(N)ccc3o2)cc1,CID759153,,,,,,,,,,0.0,,,,0.0,,,
Nc1ccc2oc(-c3ccccc3Cl)nc2c1,CID659630,0.0,,0.0,0.0,,,,,,0.0,,,,,,,0.0
CCCC(=O)Nc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1,CID2871846,,,0.0,,0.0,0.0,,,,,,,,,,,0.0
CC(C)C(=O)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1,CID1017003,,,,,,,,,0.0,0.0,,,,,,,
CCC(=O)Nc1cccc(-c2nc3ccccc3o2)c1,CID728380,,,,0.0,0.0,,0.0,,,,,,,,,,
CCC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1,CID728383,,,,,,0.0,,,,,,,,,,,
COc1cc(OC)cc(-c2nc3cc(C)ccc3o2)c1,CID888125,,,,,,,,0.0,0.0,0.0,,,,,,,0.0
CCCC(=O)Nc1ccc(-c2nc3cc(C)ccc3o2)cc1,CID876225,,,,,0.0,,,,,,,0.0,0.0,,,,0.0
CCc1ccc2oc(-c3cccc(N)c3)nc2c1,CID735963,,,,,,0.0,,,,0.0,0.0,0.0,,,,,
CCC(C)NCC(=O)Nc1ccc(-c2nc3cc(NC(=O)CNC(C)CC)ccc3o2)cc1,CID661250,,,,,,,0.0,,,,,,,,,0.0,
CCCCNCC(=O)Nc1ccc(-c2nc3cc(NC(=O)CNCCCC)ccc3o2)cc1,CID661339,,,,,,,,,,,,,,,,0.0,
CC(=O)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1,CID833950,,,,,,,,,,,,,,,,,0.0
CCCC(=O)Nc1cccc(-c2nc3ccccc3o2)c1,CID774885,0.0,,,,0.0,,0.0,0.0,,0.0,,0.0,,,,,
NCc1ccc(-c2nc3ccccc3o2)cc1,CID651907,,,,0.0,,,0.0,0.0,,,,,,,,,
Cc1ccc(-c2nc3cc(N)ccc3o2)cc1,CID721879,,,0.0,0.0,,,0.0,,,0.0,,,,,,,
O=[N+]([O-])c1ccc2oc(-c3ccccc3)nc2c1,CID759401,,,,,,,,,,,,,,,0.0,,
Cc1ccc(-c2nc3cc(NC(=O)C(C)C)ccc3o2)cc1,CID1364012,0.0,,0.0,,0.0,0.0,,,,,,0.0,,,,,
CC(C)CC(=O)Nc1cccc(-c2nc3ccccc3o2)c1,CID659922,0.0,,,,0.0,0.0,0.0,0.0,,,,,0.0,,,0.0,
Cc1ccccc1-c1nc2cc(N)ccc2o1,CID644436,,,,0.0,,0.0,,,,,,,,,,0.0,
Cc1ccc(-c2nc3cc(C)ccc3o2)cc1,CID85307,,,,,,,0.0,0.0,0.0,,0.0,,,,,0.0,
CC(=O)Nc1ccc2oc(-c3ccccc3)nc2c1,CID750297,,,,,,,,,,,,,,0.0,,,
Cc1ccc(-c2nc3cc(NC(=O)C(C)C)ccc3o2)cc1C,CID888601,,,,,0.0,,0.0,,,,,0.0,,,,,0.0
Cc1ccc(-c2nc3cc(N)ccc3o2)c(C)c1,CID664476,0.0,,,0.0,,0.0,,0.0,,0.0,,0.0,,,,0.0,
CCC(=O)Nc1ccc2oc(-c3cccc(C)c3)nc2c1,CID876159,0.0,,,,0.0,,,,,,,,,,,,0.0
CCOc1cccc(-c2nc3cc(C)ccc3o2)c1,CID879560,0.0,,,,,,0.0,,0.0,,,,0.0,,,0.0,
COc1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)cc1OC,CID1352026,,,,,,,,,,,,,,,,,0.0
COc1cc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)cc(OC)c1OC,CID3237983,,,,,,,,,,,,,,,,,0.0
CCNC(=O)c1ccccc1-c1nc(-c2ccccc2Cl)no1,CID665849,0.0,,0.0,,,,0.0,,,,0.0,,,0.0,,0.0,
CCOc1ccc(-c2nc(-c3ccc(OC)c(OC)c3)no2)cc1OCC,CID1305121,,,0.0,,,,,,0.0,,,,,0.0,,,
COc1ccc(-c2noc(-c3ccccc3Cl)n2)cc1OC,CID892627,,,,,,,,,,,,,,0.0,,0.0,0.0
COc1ccc(-c2noc(-c3cc(Cl)ccc3Cl)n2)cc1OC,CID1313631,0.0,,0.0,,,,,,,,,,0.0,,,,
COc1ccc(-c2noc(-c3cccc(Cl)c3)n2)cc1OC,CID655985,,,0.0,,,,0.0,,,,,,,,,0.0,0.0
COc1ccc(-c2noc(-c3cccc(OC)c3OC)n2)cc1OC,CID912352,,,,,,0.0,,,0.0,,,,,0.0,,,
COc1ccc(-c2nc(-c3ccccc3OC)no2)cc1OC,CID666991,,,,,,,,,0.0,0.0,,0.0,0.0,,,,
CS(=O)c1ccccc1-c1nc(-c2ccc(Cl)cc2)no1,CID1484228,,,,,,,,,,,,,,0.0,0.0,,
CS(=O)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1,CID1484227,,,,,,,,,,,,,,,0.0,,
COc1ccccc1-c1nc(-c2cccc(C)c2)no1,CID2243275,,,0.0,0.0,,,,,,,,,,,,0.0,
Cc1ccc(-c2nc(-c3ccccc3)no2)cc1,CID577305,,,,,,,,,,,,,,,0.0,,
CC(C)NC(=O)c1ccccc1-c1nc(-c2ccccc2Cl)no1,CID665429,0.0,0.0,0.0,0.0,,,0.0,,,,,,0.0,,,0.0,0.0
COc1ccc(-c2noc(-c3ccc(C)cc3)n2)cc1,CID877438,,,,,,,,,,,,,,,0.0,,
Cc1ccccc1-c1noc(-c2ccc(Cl)cc2)n1,CID745721,,,,,,0.0,,,,,,,,0.0,,,
CCOc1ccc(-c2nc(-c3ccccc3C)no2)cc1,CID2242601,,,,0.0,,,,0.0,0.0,0.0,,,,,,,
CC(C)(C)NC(=O)c1ccccc1-c1nc(-c2ccccc2Cl)no1,CID665490,0.0,,,,,,,,,,,,0.0,,,0.0,
COc1ccc(-c2noc(-c3cc(C)cc(C)c3)n2)cc1OC,CID912578,,,0.0,,,0.0,0.0,0.0,,,,,,0.0,,,
COc1ccc(-c2noc(-c3ccccc3F)n2)cc1,CID925735,0.0,,,0.0,,,0.0,0.0,,,,0.0,,,,,0.0
COc1cc(OC)cc(-c2nc(-c3ccccc3OC)no2)c1,CID666381,,,,,,,,,,0.0,,,,,,0.0,
COc1cc(OC)cc(-c2nc(-c3ccc(Br)cc3)no2)c1,CID1324642,0.0,,,,,,0.0,,,,,,,,0.0,0.0,0.0
COCCNC(=O)c1ccccc1-c1nc(-c2ccccc2Cl)no1,CID665616,0.0,0.0,,,,,0.0,,,,,,,,,0.0,0.0
COc1cc(-c2noc(-c3cccc(Cl)c3)n2)cc(OC)c1OC,CID666646,,0.0,,0.0,,,,,,,,,0.0,0.0,,,0.0
Cc1ccc(-c2noc(-c3ccccc3Br)n2)cc1,CID867101,0.0,,,,,,,,0.0,,0.0,0.0,,,0.0,0.0,0.0
CCOc1ccccc1-c1nc(-c2cccc(Br)c2)no1,CID2231572,,,,,,,,,0.0,,0.0,0.0,,,,,
COc1cc(-c2nc(-c3cccc(C)c3)no2)cc(OC)c1OC,CID705873,0.0,0.0,,,,,0.0,0.0,0.0,0.0,,,0.0,,,,
O=[N+]([O-])c1cccc(-c2nc(-c3ccc(Cl)cc3)no2)c1,CID867091,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-c2nc(-c3ccccc3)no2)c(Cl)c1,CID2056784,,,1.0,,,0.0,0.0,,,,,,,,,,0.0
COc1ccccc1-c1noc(-c2ccccc2)n1,CID2234387,0.0,,,0.0,,,,,,,0.0,,0.0,,0.0,0.0,
Brc1ccccc1-c1nc(-c2ccccc2)no1,CID933633,0.0,,,,,,,,,,,,,,,0.0,
COc1cccc(-c2nc(-c3ccccc3)no2)c1,CID619837,,,0.0,,,,,,,,,,0.0,,,0.0,
COc1ccccc1-c1noc(-c2cc(OC)c(OC)c(OC)c2)n1,CID666344,0.0,,,,,,0.0,0.0,0.0,,,0.0,,0.0,,,
COc1ccccc1-c1nc(-c2ccc(Br)cc2)no1,CID790083,,,,,,,0.0,,0.0,,0.0,,,,,,0.0
Cc1cccc(-c2noc(-c3ccc(F)cc3)n2)c1,CID888120,0.0,0.0,0.0,,,,,0.0,,,0.0,,,,,,
COc1ccc(-c2nc(-c3ccccc3)no2)c(OC)c1,CID893238,,,,0.0,,,0.0,,0.0,,,,0.0,0.0,0.0,,0.0
COCCNC(=O)c1ccccc1-c1nc(-c2ccccc2OC)no1,CID1983138,,,0.0,,,,,,0.0,,0.0,0.0,0.0,,,,
Cc1cccc(-c2noc(-c3ccc(Cl)cc3[N+](=O)[O-])n2)c1,CID891547,,,,,,,,,,,,,,0.0,,,
COc1cc(OC)cc(-c2nc(-c3ccccc3)no2)c1,CID868065,,,,,,,0.0,,0.0,,,,,,,0.0,
CCOc1ccc(-c2nc(-c3ccccc3)no2)cc1OCC,CID3156036,,,0.0,0.0,,,,,0.0,,,,,,,,
COc1ccc(Br)cc1-c1noc(-c2ccccc2)n1,CID2238148,,,,,,,0.0,,0.0,,,0.0,,,,0.0,0.0
CCOc1cc(-c2nc(-c3ccccc3OC)no2)cc(OCC)c1OCC,CID2237189,,,,0.0,,,,,0.0,,,0.0,0.0,0.0,,,
COc1ccc(-c2nc(-c3ccc(Br)cc3)no2)c(OC)c1,CID1310328,,,,,,,0.0,,0.0,,,,,,,,0.0
COc1ccc(-c2noc(-c3ccc(Cl)cc3[N+](=O)[O-])n2)cc1OC,CID1310120,,,,,,,,,,,,,,0.0,,,
CCOc1cc(-c2nc(-c3cc(OC)c(OC)c(OC)c3)no2)cc(OCC)c1OCC,CID2237315,,,,,,,,,,,,,,,,0.0,
O=[N+]([O-])c1cccc(-c2nc(-c3ccccc3)no2)c1,CID700579,,,,,,,,,,,,,,,0.0,,
COc1ccc(-c2noc(-c3ccc(Cl)cc3)n2)cc1,CID803562,,0.0,0.0,,,,,,,,,,,,,0.0,
CCOc1cc(-c2nc(-c3ccc(OC)cc3)no2)cc(OCC)c1OCC,CID1084018,0.0,,,,,,,0.0,0.0,,,,,,,,
COc1ccc(Br)cc1-c1noc(-c2ccccc2F)n1,CID2235752,,,,,,,,,0.0,,,0.0,,,,,0.0
Fc1ccccc1-c1nc(-c2ccccc2)no1,CID2876651,,0.0,0.0,0.0,,,,,,,,,,,,,
NC(=O)c1ccccc1-c1nc(-c2ccccc2)no1,CID666146,,,,,,0.0,,0.0,,,,,0.0,,,,
COc1ccc(-c2nc(-c3cccc(C)c3)no2)cc1OC,CID716459,,,,0.0,,,,0.0,0.0,,,,0.0,0.0,0.0,,
CCOc1ccc(-c2nc(-c3ccc(OC)cc3)no2)cc1OCC,CID648384,1.0,,,,,,0.0,,0.0,,,,,,,,
CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NC(C)C)c1C,CID2403694,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1[nH]c(C(=O)O)c(CCN(CC)CC)c1C,CID559643,,,,,0.0,,,,,,,,,,,,
CCOC(=O)c1c(C)c(C(=O)NC(C)COC)c(C)n1CC,CID3244693,,,,,,,,,,0.0,,,,,,,
Cc1cc(/C=C(\C#N)C(=O)OCC#N)c(C)n1CC(C)C,CID2418820,,,,,,,,,,,,,,,0.0,,
COC(=O)C(C(C)C)n1c(C)c(C(C)=O)c(C(C)=O)c1C,CID907763,,,,,,,0.0,,,0.0,,,,,,,
CCOC(=O)c1c(C)[nH]c(C(=O)OC)c1CCC(=O)OC,CID614081,,,0.0,,,,,0.0,,,,,0.0,,,0.0,
CC(=O)c1c(C)c[nH]c1C,CID15163,,,,,,,,,,,0.0,,,,,,
CCOC(=O)c1c(C)c(C(=O)NCCOC)c(C)n1CC,CID3245084,,,0.0,,,,,0.0,,,,,,,,,
CCOC(=O)c1[nH]c(C)c(C(=O)NCCCOC(C)C)c1C,CID3239839,0.0,,,,,,,,0.0,,,,,,,,
CCOC(=O)c1c(C)c(C(=O)O)n(C)c1C,CID614455,,,,,,,0.0,0.0,,,,,,0.0,,,
CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)NC(=O)NC(C)(C)C)c1C,CID2078589,,,,,,,,0.0,,,0.0,,,,,,
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)NC(=O)NC(C)(C)C)c1C,CID2507966,,,,,,,,,,,0.0,,,,,,
Cc1cc(C(=O)CC#N)c(C)n1CC(F)(F)F,CID2115079,,,,0.0,,,0.0,,0.0,,,,,,,,
CCOCCCNC(=O)c1c(C)c(C(=O)OCC)n(C)c1C,CID3243920,,,0.0,,,,,,,,,,,,,0.0,0.0
CCCCC(CC)CNC(=O)c1[nH]c(C)c(C(C)=O)c1C,CID5307453,,,0.0,,,0.0,,,,,,,0.0,,,,
CCOC(=O)c1c(C)[nH]c(C)c1C=O,CID227593,,,,,,,,,,,,,,0.0,,,
CCCCCCC(=O)c1c(C)[nH]c(C(=O)OCC)c1C,CID2058723,,,,0.0,,,,0.0,,,,,,,,,
CCOC(=O)c1[nH]c(C)c(CCC(=O)OC)c1C,CID291754,0.0,0.0,,,,,,,,0.0,0.0,,,,,0.0,
CCc1[nH]c(C)c(C(C)=O)c1C,CID653478,,,,,,0.0,,0.0,,,,,,,,,
CCCCOC(=O)c1[nH]c(C)c(C(=O)OC)c1C,CID658733,,,,,,,,0.0,,,,,,,,0.0,
CCCCNC(=O)c1[nH]c(C)c(C(C)=O)c1C,CID16193685,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1[nH]c(C)c(CCC(=O)O)c1C,CID142205,,,,,,0.0,,,,,,,,,0.0,,
CCn1cc(C(C)(C)C)c(C#N)c1NC(C)=O,CID685010,,,0.0,,,,,,,,,,,,,,
CCOC(=O)c1c(C)c(C(=O)NCCCOC)c(C)n1C,CID3237358,,,,,,,,,,0.0,,,,,,,
COC(=O)c1c(C)[nH]c(C(C)=O)c1C,CID657714,,,0.0,,,0.0,0.0,,,0.0,,,0.0,,,0.0,
CCOC(=O)c1c(C)c(C(=O)NC(C)COC)c(C)n1C,CID3244593,,0.0,,,,,,0.0,,,,,,,,,
CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)CSCC(=O)N(CC)CC)c1C,CID3000125,,,,,,,,0.0,,,,,,,,0.0,
CCOC(=O)c1c(C)[nH]c(C(=O)O)c1C,CID224709,,,,,,0.0,0.0,0.0,,,,,0.0,,,,
CCOC(=O)c1[nH]c(C)c(C(=O)N(C)C)c1C,CID3243413,,,,,,,,,,,,,,,0.0,0.0,
COC(=O)Cn1c(C)c(C(C)=O)c(C(C)=O)c1C,CID645919,,,,,,,0.0,,,,,,,,,0.0,
CCOC(=O)c1[nH]c(C)c(C(=O)NC(C)(C)C)c1C,CID3240777,,,,0.0,,,,,,0.0,,,,,,0.0,
CCOC(=O)c1[nH]c(C)c(C(=O)NC)c1C,CID5307575,,,,,,,,,,,,,,,,0.0,
CCCNC(=O)c1[nH]c(C)c(C(C)=O)c1C,CID3238152,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1c(C)c(C(=O)NCCCOC(C)C)c(C)n1C,CID3236642,,,,,,,,0.0,,,,,,,,,
CC(=O)c1c(C)[nH]c(C)c1C(C)=O,CID750354,,,,,,,,,,,,,,,0.0,0.0,
CCOC(=O)c1c(C)[nH]c(C(C)=O)c1C,CID22769,,0.0,,,,,,0.0,,,,,,,,,
COC(=O)c1cc(C(=O)CC(C)C)c[nH]1,CID4207476,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1[nH]c(C)c(C(=O)NC(C)CC)c1C,CID5309556,,0.0,,,,,,,,,,,0.0,,,,
CCOCCCNC(=O)c1[nH]c(C)c(C(C)=O)c1C,CID3237458,,,0.0,,,,0.0,0.0,,,,,0.0,,,0.0,
CCOC(=O)c1[nH]c(C)c(C(=O)C(C)C)c1C,CID590694,,,,,,,,,,,0.0,,,,0.0,,
CCCCn1cc(C(C)(C)C)c(C#N)c1NC(C)=O,CID3116930,,,,,,0.0,,,,,,,,0.0,,,
CCCN(CCC)C(=O)c1c(C)[nH]c(C(=O)OCC)c1C,CID5307137,,0.0,,,,,,,,,,,,,,0.0,
CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N(C)C)c1C,CID2488887,,,,,,0.0,,,,,,,,,,,
CC(=O)Nc1c(C#N)c(C(C)(C)C)cn1C,CID685039,,,,0.0,,,,,,,,0.0,,,,,
CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)CSC)c1C,CID2568753,,,,,,,,,0.0,,,,,,,,
CCOC(=O)c1[nH]c(C)c(C(=O)OCC)c1C,CID75526,,0.0,,,,,0.0,0.0,,0.0,,,0.0,,,,
CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)C(C)(C)C)c1C,CID2105183,,,,,,0.0,,,,,,,,,,,
CCNC(=O)c1c(C)[nH]c(C(=O)OCC)c1C,CID3237814,,,,,,,,0.0,,,,,,,,0.0,
COC(Cn1c(C)c(C(C)=O)c(C(C)=O)c1C)OC,CID713980,,,,,,0.0,,,,,,,,,,,
CCOCCCNC(=O)c1c(C)[nH]c(C(=O)OCC)c1C,CID3239106,,0.0,,,,,,,,,,0.0,,,,,0.0
CCOC(=O)c1[nH]c(C)c(C(=O)N(CC)CC)c1C,CID5307158,,,,,,,,0.0,0.0,,,,,,,0.0,
CCCCn1c(C)cc(/C=C(\C#N)C(=O)O)c1C,CID2113261,,,,,,,,,,,,,,,0.0,,
COC(=O)CCCn1c(C)cc(C(=O)CCl)c1C,CID2115242,,,,,,,,,,,,,,0.0,,,
CSC1=C(C#N)C(c2ccccc2Cl)C(C(C)=O)=C(C)N1,CID2841145,,,,,,,,,,0.0,,,,,,,
CCOc1ccccc1C1C(C(=O)OC)=CN(C)C=C1C(=O)OC,CID649789,,0.0,0.0,,,,0.0,0.0,,,,,0.0,,0.0,0.0,
C=CCOC(=O)C1=C(C)NC(SCC(=O)OCC)=C(C#N)C1c1ccc(O)c(OC)c1,CID2999140,,,,,,0.0,0.0,,,,0.0,,,,,,
CCOC(=O)C1=C(C)NC(SCC(=O)OC)=C(C#N)C1c1ccc(C(=O)OC)cc1,CID660016,,0.0,,,,,,,,0.0,,,,,,0.0,
CSCSC1=C(C#N)C(c2ccccc2Cl)C(C(C)=O)=C(C)N1,CID2862321,,,0.0,,,,,,0.0,,,,,,0.0,,
CCCOc1ccc(C2C(C(=O)OC)=CN(CCOC)C=C2C(=O)OC)cc1,CID2172352,,,0.0,,,,0.0,,,,,,,,,,
COC(=O)C1=CNC=C(C(=O)OC)C1c1cccc(OC)c1,CID674174,,,,,0.0,,0.0,,,,,,,,,0.0,
C=CCOC(=O)C1=C(C)NC(SCC(=O)OCC)=C(C#N)C1c1ccc(C)cc1,CID3549725,,,,,,,,,,,0.0,,,,,,
CCCOc1ccccc1C1C(C(=O)OC)=CN(C(C)C)C=C1C(=O)OC,CID2221501,,,,0.0,,,,0.0,,,0.0,,0.0,,0.0,,
CCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OCC)C1c1ccc(Cl)cc1,CID325406,,,,,,,,,,,,,,0.0,,,
COCCN1C=C(C(=O)OC)C(c2ccc(OC)c(OC)c2)C(C(=O)OC)=C1,CID2055736,,,0.0,,,,,,,,,,,,0.0,,
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1,CID89082,,,,,,,,,,,0.0,,,,0.0,,
COC(=O)C1=CN(C(C)C)C=C(C(=O)OC)C1c1cccc(OC)c1,CID775764,,,,,,,0.0,,,,,,,,,,
COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccc(Cl)cc1,CID625873,,,,,,,,,,,,,,0.0,,,
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(NC(C)=O)cc1,CID356261,,,0.0,,0.0,,0.0,,0.0,,0.0,0.0,0.0,,,,
CCCCOc1ccccc1C1C(C(=O)OC)=C(C)N(C)C(C)=C1C(=O)OC,CID617111,,,0.0,,,,,,,,0.0,,,,0.0,,
CCOc1ccc(C2C(C(=O)OC)=CN(CCOC)C=C2C(=O)OC)cc1,CID2291187,,,,,,,0.0,,,,,,,,,,
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cc(N)ccc1OC(F)F,CID1179153,,,,,,,,,,0.0,,,,,,,0.0
COC(=O)C1=CNC=C(C(=O)OC)C1c1ccc(Cl)cc1,CID715615,,0.0,,0.0,,,,,,0.0,,,,,,0.0,0.0
COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccc(F)c(Br)c1,CID1368638,0.0,,,,,,,,0.0,,,,,,,,
COCCN1C=C(C(=O)OC)C(c2cc(Br)c(OC)c(OC)c2)C(C(=O)OC)=C1,CID2172338,0.0,,,,,,,,,,,,,,,,
C=CCOC(=O)C1=C(C)NC(SC)=C(C#N)C1c1ccc(OCC)cc1,CID660626,0.0,,,,,,0.0,,,,,0.0,,0.0,,,
C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1ccc(OC)c(OC)c1,CID2891679,,,,,,0.0,,,,,,,,,,,
C=CCOC(=O)C1=C(C)NC(SCC)=C(C#N)C1c1ccc(Cl)cc1,CID3776559,,,,,,0.0,,,,,,,,,,,
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(O)cc1,CID619963,0.0,0.0,,0.0,0.0,,,0.0,,,,0.0,0.0,,,0.0,0.0
COC(=O)C1=CN(C)C=C(C(=O)OC)C1c1ccccc1Cl,CID610962,,0.0,0.0,,,,,,,0.0,,,,,,0.0,
COC(=O)C1=CNC=C(C(=O)OC)C1c1ccccc1Cl,CID299857,,0.0,,0.0,,,,,,,,,,0.0,,0.0,0.0
CCN(CC)c1ccc(C2C(C(=O)OC)=C(C)NC(C)=C2C(=O)OC)cc1,CID653396,0.0,,,,,,,0.0,0.0,,,0.0,,,0.0,,
COC(=O)C1=CN(C)C=C(C(=O)OC)C1c1ccc(O)c(OC)c1,CID647803,,,,,0.0,,,0.0,,,,,,,,0.0,
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(OC)cc1,CID97201,,,,0.0,,,,,,0.0,,,,,,,
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1,CID4507,,0.0,,,,,,0.0,,,,,0.0,,,,
C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1ccc(O)cc1,CID3139744,0.0,0.0,,0.0,0.0,,,,,,,,,,,0.0,
CCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OCC)C1c1ccc(C(=O)OC)cc1,CID1043709,,,,,,,,,,,,,,,0.0,,
COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1cccc(Br)c1,CID2265768,0.0,,,,,,,,0.0,,,,,,,,0.0
C#CCN1C(C)=C(C(=O)OC)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OCC)=C1C,CID11538542,,,,,,,,0.0,,,,,,,,,
CCOC(=O)CSC1=C(C#N)C(c2ccccc2)C(C(C)=O)=C(C)N1,CID3244289,0.0,,,,,,,0.0,,,,,,,,,
COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccc(C(=O)OC)cc1,CID1087398,,,,,,,,0.0,,,,,,,0.0,,
COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1cc(OC)c(OC)c(OC)c1,CID1368561,,,,,,0.0,,,,,,,,,,,
C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1cccc([N+](=O)[O-])c1,CID2891925,,,,,,0.0,,,,,,,,,,,
COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1,CID4497,,,0.0,,,,0.0,,,0.0,,,,,,,
CCCCOc1ccccc1C1C(C(=O)OC)=CN(CC)C=C1C(=O)OC,CID2172337,,,0.0,,,,,,,,,,,,0.0,,
C=CCOC(=O)C1=C(C)NC(SCC(=O)N(CC)CC)=C(C#N)C1c1ccccc1,CID661576,,,0.0,,,,,,,,,,,,,,
CCOC(=O)CSC1=C(C#N)C(c2ccc(F)cc2)C(C(C)=O)=C(C)N1,CID3241901,,,,,,,0.0,0.0,,,,,,,,,0.0
CSC1=C(C#N)C(c2ccccc2C)C(C#N)=C(N)N1,CID605837,0.0,,,,,,,,,0.0,,,,,,0.0,
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl,CID3333,,0.0,,,,,,,,,,,,,,,
CCOC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)C1c1ccccc1,CID6620684,,,,,,0.0,,,,,,,,,,,
CSCSC1=C(C#N)C(c2ccc(Cl)cc2)C(C(C)=O)=C(C)N1,CID2862190,,,,,,,,,,,,,,0.0,,0.0,
CCOC(=O)CSC1=C(C#N)C(c2ccccc2F)C(C(C)=O)=C(C)N1,CID3245525,,,0.0,,,0.0,,,,,,,,,,,
COC(=O)C1=CNC=C(C(=O)OC)C1c1ccc(C(=O)OC)cc1,CID607320,,,,,0.0,,,,,0.0,0.0,,,,,,
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-],CID4485,,,0.0,,,,,,,,,,,,,,
CCN1C=C(C(=O)OC)C(c2cccc(C)c2)C(C(=O)OC)=C1,CID614266,,0.0,,,,0.0,0.0,,0.0,,,,,,,0.0,
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(N(C)C)cc1,CID646414,,,0.0,,,,,0.0,0.0,,0.0,0.0,0.0,,,0.0,
COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccccc1C,CID743917,,,,,,,0.0,,,,,,0.0,,0.0,0.0,
CCN(CC)C(=O)COn1c(SCC(=O)N(CC)CC)nc2ccccc2c1=O,CID663088,,,,0.0,,,,,,,,,,,,,0.0
CCCc1nc2ccccc2c(=O)n1N,CID805142,,,,,,,,,,,,,,,0.0,,
Cn1c(SCC(=O)O)nc2ccccc2c1=O,CID655885,,,,,,,0.0,0.0,,,,,0.0,,,,
CC(C)COC(=O)Cn1cnc2ccc(Br)cc2c1=O,CID660893,0.0,,,,,,,,0.0,,0.0,,,,0.0,,0.0
CCOn1c(SCC)nc2ccccc2c1=O,CID936313,,,,,,,,,,,,,,,0.0,,
CC(=O)NCCn1c(SCC#N)nc2ccccc2c1=O,CID3243886,,,0.0,,,,,,,,,,0.0,,,0.0,
O=C(O)Cn1cnc2ccccc2c1=O,CID729359,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C(C)Sc1nc2ccccc2c(=O)n1CC,CID2946375,,,0.0,,,,,0.0,,,,,,,,,
COn1c(SCC(=O)N(C)C)nc2ccccc2c1=O,CID663706,,,,0.0,,,,,,,,,,,,,
CS(=O)(=O)Nn1cnc2ccccc2c1=O,CID2235591,,0.0,0.0,,,,,,,,,,,,0.0,,
CCOC(=O)CSc1nc2ccccc2c(=O)n1C,CID659227,,,,0.0,,,0.0,,,,,,,,,,
CCCCNC(=O)CSc1nc2ccccc2c(=O)n1CCNC(C)=O,CID5243594,,,,,,,,,,,0.0,,,,,,
CNC(=O)CSCCn1c(SCC(=O)NC)nc2ccccc2c1=O,CID2550870,,,,,,,,,,0.0,,,,,,,
CCSc1nc2cc(OC)c(OC)cc2c(=O)n1CC,CID939616,,,,,,,0.0,,,,,,,,,,
CCCCCCc1nc2ccccc2c(=O)n1N,CID600125,,,,,,0.0,0.0,,,,,0.0,,,,,
COC(=O)COn1c(SCC(=O)OC)nc2ccccc2c1=O,CID661998,,,,,,,0.0,,,,0.0,,,,0.0,,0.0
CC(C)Cn1c(SCC#N)nc2ccccc2c1=O,CID2401327,,,,,,,,,,,0.0,,0.0,,,,
COc1nc2ccccc2c(=O)n1OCC(C)C,CID662404,,,0.0,,,,,,,,,,0.0,,,0.0,
CCOCCCn1c(SCC(=O)NC(C)C)nc2ccccc2c1=O,CID2617216,,,,,,,,,,,0.0,,,,0.0,,
CCOCCCn1c(SCC(=O)NC(C)(C)C)nc2ccccc2c1=O,CID2617218,,,,,,,,0.0,,,,,,,,,
CCCCCCCCCC(=O)Nn1cnc2ccccc2c1=O,CID1649169,,,,,,,,,,,,,,0.0,,,
C=CCn1c(SCC#N)nc2ccccc2c1=O,CID1555849,,,,,,,,,,,,,,,,0.0,
CCNC(=O)CSc1nc2ccccc2c(=O)n1OC,CID664855,,0.0,0.0,,,,,,,,0.0,,,,,,
CC(C)NC(=O)CSc1nc2ccccc2c(=O)n1CCCOC(C)C,CID2999221,,0.0,,0.0,,,0.0,,,,,,,,,,
CCOC(=O)Nc1ccc2ncn(C)c(=O)c2c1,CID713214,,,,0.0,,0.0,,,0.0,,,,,,,,
COn1c(SCC(N)=O)nc2ccccc2c1=O,CID664215,,,,,,,0.0,,,0.0,,,0.0,0.0,,,
O=C(O)CCCCCNC(=O)CCn1cnc2ccccc2c1=O,CID667265,,,,,,,,0.0,,,,,,,,,
CC(C)OC(=O)Cn1cnc2ccc(Br)cc2c1=O,CID660967,0.0,,,,,,,,,,,0.0,,,,,
CCSc1nc2cc(C(=O)OC)ccc2c(=O)n1CC,CID687986,,,0.0,,,,0.0,0.0,,,,0.0,,,,,
CCOC(=O)CSc1nc2ccccc2c(=O)n1CC,CID791483,,,,,,,,,,,,,,,,,0.0
C=C(C)Cn1c(SCC#N)nc2ccccc2c1=O,CID2237016,,0.0,,,,,,,,,0.0,,,,,,
CCCCCc1nc2ccccc2c(=O)n1N,CID600277,,,,,,,0.0,0.0,,,,0.0,,,,,
O=C(O)CCn1cnc2ccccc2c1=O,CID650896,,0.0,,,,,,0.0,,0.0,,,,,,,
CCNC(=O)COn1c(SCC(=O)NCC)nc2ccccc2c1=O,CID662126,,,,,,,,0.0,,,,,,,,0.0,
CCOC(=O)C(C)On1c(SC(C)C(=O)OCC)nc2ccccc2c1=O,CID663046,,,,0.0,,,0.0,0.0,,0.0,0.0,,0.0,,,,
COn1c(SC(C)C)nc2ccccc2c1=O,CID938390,,,,,,,,,,0.0,,,,,,,
CCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1OC,CID664383,,,,0.0,,,,0.0,,,,,0.0,,,,
CCCCS(=O)(=O)Nc1ccc2ncn(C)c(=O)c2c1,CID2228399,,,,,,,,,,,0.0,,,,,,
CC(C#N)On1c(SC(C)C#N)nc2ccccc2c1=O,CID662678,,,,,,,,,,,,,0.0,,,,
CCCOn1c(OCC(C)C)nc2ccccc2c1=O,CID665728,,,,,,0.0,,0.0,,,,,,,,,0.0
Cc1nc2ccccc2c(=O)n1NS(C)(=O)=O,CID1257433,,0.0,,,,,,,,,0.0,,0.0,,,,
CN(C)C(=O)COn1c(SCC(=O)N(C)C)nc2ccccc2c1=O,CID663331,,0.0,,,,,,0.0,,,,,,,,,0.0
COC(=O)CSc1nc2ccccc2c(=O)n1C,CID649100,,,,0.0,,,,0.0,,,,,,,,,
CCNC(=O)CSc1nc2ccccc2c(=O)n1CCCOC(C)C,CID2997750,,,,,,,0.0,0.0,,,,,,,,,
Cc1nc2ccccc2c(=O)n1CCCO,CID2894534,,,,,,,,,,,,,0.0,,,,
CSc1nc2ccccc2c(=O)n1N,CID802571,,,,0.0,,,,,,,,,,,,,
CCn1c(SCC(N)=O)nc2ccccc2c1=O,CID651845,,,,,,,0.0,,,,,0.0,0.0,,,,
CCCCOC(=O)Cn1cnc2ccc(Br)cc2c1=O,CID1566546,0.0,,,,,,,,0.0,,0.0,,,,,,0.0
CCCCn1c(SC(C)C(N)=O)nc2cc(C(=O)OC)ccc2c1=O,CID9551971,,,,,,,,,,,0.0,0.0,,0.0,,,
CCN(CC)C(=O)Cn1cnc2ccccc2c1=O,CID2286174,,0.0,,,,,0.0,0.0,,,,0.0,,,,,
CCOC(=O)COn1c(SCC(=O)OCC)nc2ccccc2c1=O,CID662664,,,0.0,,,,,,,,,,0.0,,,,
Cc1nc2ccccc2c(=O)n1N,CID237591,,,0.0,,,,0.0,,,,,0.0,0.0,,,,
C=C(C)Cn1c(SCC)nc2ccccc2c1=O,CID653551,,,,,,,0.0,,,,,,0.0,,0.0,,
CCCOc1ccc(N2CC(C(=O)Nc3ccccc3F)CC2=O)cc1,CID649467,,,,,,,,,,,,,,0.0,,,
Cc1ccc(N2CC(C(=O)Nc3cccc(F)c3)CC2=O)cc1,CID2856365,,,0.0,0.0,,,,0.0,,,,,,0.0,,,
CCOc1ccccc1N1CC(C(=O)Nc2ccc(C(=O)O)cc2)CC1=O,CID2964454,,,,,,,0.0,,,0.0,,,0.0,,,,
CCOc1ccc(NC(=O)C2CC(=O)N(c3cc(C)cc(C)c3)C2)cc1,CID2964434,0.0,0.0,,0.0,,,0.0,,,,0.0,0.0,,,,,
CC(=O)Nc1cccc(NC(=O)C2CC(=O)N(c3ccc(C)cc3)C2)c1,CID2963151,,,0.0,,,,,,,,,,0.0,0.0,,,0.0
O=C(Nc1ccc(Cl)c(Cl)c1)C1CC(=O)N(c2ccc(Br)cc2)C1,CID3116961,,,,,,,,,0.0,,,0.0,,,,,
CC(C)Oc1ccc(N2CC(C(=O)Nc3ccccc3F)CC2=O)cc1,CID2947129,,0.0,,0.0,,,,,,,,,,,,,
COC(=O)c1ccc(NC(=O)C2CC(=O)N(c3ccc(C)cc3)C2)cc1,CID2890459,,,,,,,,,,0.0,,,,,,,
CCOc1ccc(N2CC(C(=O)Nc3cccc(C)c3C)CC2=O)cc1,CID2949895,,,,,,,0.0,,,,,0.0,0.0,,,,0.0
CCc1ccc(N2CC(C(=O)Nc3ccccc3F)CC2=O)cc1,CID2860008,0.0,,,0.0,,,,0.0,,,,,0.0,,,,
COC(=O)c1ccccc1NC(=O)C1CC(=O)N(c2ccc(C)cc2)C1,CID2883667,,,,,,,,,0.0,,0.0,,,,,,
COc1ccccc1NC(=O)C1CC(=O)N(c2ccc(F)cc2)C1,CID2889316,,,,0.0,,,,0.0,,,,,,,,,
O=C(Nc1ccc(Cl)cc1)C1CC(=O)N(c2ccccc2)C1,CID2883439,,,,,,0.0,,,,,,,,,,,
COc1cccc(N2CC(C(=O)Nc3c(C)cccc3C)CC2=O)c1,CID2964345,,0.0,,,,,,,0.0,,,,,0.0,,,
O=C(Nc1cccc(F)c1)C1CC(=O)N(c2ccc(Br)cc2)C1,CID647254,0.0,,,,,,0.0,,0.0,,0.0,,,,0.0,0.0,
CCOc1ccc(N2CC(C(=O)Nc3ccccc3F)CC2=O)cc1,CID655075,,,0.0,,,,0.0,0.0,,,,,,,0.0,,
COc1ccc(Cl)cc1NC(=O)C1CC(=O)N(c2ccc(F)cc2)C1,CID2964401,,0.0,,,,,,,,0.0,,,0.0,,,0.0,0.0
COc1ccc(NC(=O)C2CC(=O)N(c3ccc(F)cc3)C2)c(OC)c1,CID2891164,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC(=O)C2CC(=O)N(c3cc(C)ccc3C)C2)cc1,CID2964392,,,,0.0,,,0.0,0.0,0.0,0.0,0.0,,0.0,,,,0.0
COC(=O)c1ccccc1NC(=O)C1CC(=O)N(c2ccccc2)C1,CID217791,,0.0,,,,,,0.0,,,,0.0,0.0,,0.0,,
COc1ccc(NC(=O)C2CC(=O)N(c3ccc(C)cc3)C2)cc1,CID2883796,,,,,,0.0,,,,,,,,,,,
COC(=O)c1ccccc1NC(=O)C1CC(=O)N(c2ccc(C)c(C)c2)C1,CID2947224,,,,,,,,,0.0,,,0.0,,,,,
CC(=O)c1cccc(NC(=O)C2CC(=O)N(c3cccc(C)c3C)C2)c1,CID5192235,,,,,,,,,,,,,0.0,,,,
Cc1ccc(Cl)cc1NC(=O)C1CC(=O)N(c2ccc(F)cc2)C1,CID2883679,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1ccccc1NC(=O)C1CC(=O)N(c2ccccc2)C1,CID2927043,,,,,,,,,,,,,,0.0,,,
COc1ccc(OC)c(NC(=O)C2CC(=O)N(c3ccccc3)C2)c1,CID2964338,,,,,,,0.0,0.0,0.0,,,,0.0,,,,
CCCOc1ccc(N2CC(C(=O)Nc3ccccc3OC)CC2=O)cc1,CID3154399,0.0,,,0.0,,,0.0,,,,,0.0,0.0,,,,0.0
Cc1ccccc1NC(=O)C1CC(=O)N(c2ccccc2F)C1,CID580214,,,,,,,,0.0,,,,0.0,0.0,,,,0.0
CCOc1ccc(N2CC(C(=O)Nc3ccccc3OC)CC2=O)cc1,CID2925676,,0.0,,0.0,,,0.0,0.0,0.0,,,,0.0,,,0.0,
C=CCNC(=O)c1ccccc1NC(=O)C1CC(=O)N(c2ccc(Cl)cc2)C1,CID2955407,0.0,0.0,,,,,0.0,,,,,,0.0,,,0.0,0.0
Cc1ccc(N2CC(C(=O)Nc3cc(C)ccc3C)CC2=O)cc1,CID577510,,,,,,0.0,,,,,,,,,,,
COc1ccccc1N1CC(C(=O)Nc2cccc(C(=O)O)c2)CC1=O,CID2964418,,,0.0,0.0,,,,,,,,,0.0,,,,
COC(=O)c1ccc(NC(=O)C2CC(=O)N(c3cc(C)ccc3C)C2)cc1,CID2964388,,,,,,,,,0.0,0.0,,,,,,,
Cc1ccc(NC(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)cc1,CID2883785,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC(=O)C2CC(=O)N(c3cccc(C)c3C)C2)cc1,CID648774,,,0.0,,,,,,,,,,,,,,0.0
Cc1ccc(N2CC(C(=O)Nc3cc(C)ccc3F)CC2=O)cc1,CID3797114,,,,,,,,,,,,,0.0,,,,
Cc1ccc(NC(=O)C2CC(=O)N(c3ccc(C)cc3)C2)cc1,CID2883753,,,,,,0.0,,,,,,,,,,,
Cc1ccc(N2CC(C(=O)Nc3ccc(Cl)cc3)CC2=O)cc1,CID2890157,,,,,,0.0,,,,,,,,,,,
COC(=O)c1ccccc1NC(=O)C1CC(=O)N(c2ccc(F)cc2)C1,CID644842,0.0,,,0.0,,,,0.0,,,,,,0.0,,,
Cc1ccc(C)c(NC(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)c1,CID2883523,,,,,,0.0,,,,,,,,,,,
COc1ccc(N2CC(C(=O)Nc3ccc(F)cc3F)CC2=O)cc1,CID2925433,,,,0.0,,,,,,,0.0,,,,,,0.0
Cc1ccc(N2CC(C(=O)Nc3ccc(C)c(C)c3)CC2=O)cc1,CID2883568,,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccccc1C(F)(F)F)C1CC(=O)N(c2ccccc2F)C1,CID2958791,,,,,,,,,0.0,,,,,,,,0.0
O=C(Nc1cccc(F)c1)C1CC(=O)N(c2ccc(Cl)cc2)C1,CID2900783,,,,,,,,,,,,,,,,0.0,
CC(=O)Nc1ccc(NC(=O)C2CC(=O)N(c3ccccc3Cl)C2)cc1,CID2951564,,,,,,,,,,,,,,0.0,,,
COc1cccc(N2CC(C(=O)Nc3ccc(C(=O)OC(C)C)cc3)CC2=O)c1,CID2964341,,,0.0,,0.0,,,,0.0,,,,0.0,,,,
Cc1ccc(N2CC(C(=O)Nc3ccc(N(C)C)cc3)CC2=O)cc1C,CID612869,0.0,0.0,,0.0,,,,,,,,,,,0.0,,0.0
Cc1cccc(NC(=O)C2CC(=O)N(c3ccccc3)C2)c1C,CID2883565,,,,,,,,,,,,0.0,,,0.0,,
CCc1ccc(N2CC(C(=O)Nc3cc(C)ccc3F)CC2=O)cc1,CID2915830,,,0.0,0.0,,,,,,,,,0.0,,,,
CC(=O)Nc1ccc(NC(=O)C2CC(=O)N(c3cccc(C)c3C)C2)cc1,CID3153881,,,0.0,0.0,,,,,,,,0.0,0.0,,,,0.0
CCOc1ccc(N2CC(C(=O)Nc3ccc(F)cc3F)CC2=O)cc1,CID647182,,,,,,,,0.0,,,,,,,0.0,0.0,0.0
CCCCOc1ccc(NC(=O)C2CC(=O)N(c3ccc(C)cc3)C2)cc1,CID3857445,,,,,,0.0,,,,,,,,,,,
COc1ccc(OC)c(NC(=O)C2CC(=O)N(c3ccc(Br)cc3)C2)c1,CID2872562,0.0,,,,,,0.0,,,,,0.0,,,,0.0,
CC(C)C(=O)Nc1ccc(Nc2ccccc2)cc1,CID874496,0.0,,,0.0,,,,,,0.0,,,,,,0.0,
O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1,CID3371,,,,0.0,,,,,,,,,,0.0,,,0.0
Cc1cccc(Nc2ccccc2C(=O)O)c1C,CID4044,,,,,,,0.0,,0.0,0.0,0.0,,,,,0.0,
CNCC(O)CN(c1ccccc1)c1ccccc1,CID3159307,,,,,,,,,,,,,,,0.0,,
Nc1ccc(Nc2ccccc2)c(Cl)c1,CID800998,,0.0,,,,,0.0,,,,,,,,,0.0,
CNC(=S)Nc1ccc(Nc2ccccc2)cc1,CID2980586,,,,,,0.0,,,,,,,,,,,
CC(=O)N(c1ccccc1)c1c(F)c(F)c(F)c(F)c1F,CID2268959,,,,,,,,,0.0,,,,,,,,0.0
CN(c1ccccc1)c1ccc(/C=C/[N+](=O)[O-])cc1,CID883460,,,,,,,,,,,,,,0.0,,,
CC(C)(C)CC(=O)Nc1ccc(Nc2ccccc2)cc1,CID803549,,,,,,0.0,,,,0.0,,,,,,,
COC(=O)c1ccccc1Nc1ccccc1,CID607074,,,,,,0.0,0.0,,,0.0,0.0,,0.0,,,0.0,
Cc1cc(C)cc(Nc2ccc(C(=O)O)cc2N)c1,CID3242751,0.0,,,,,,,0.0,,,,,,,,,
COCC(=O)Nc1ccc(Nc2ccccc2)cc1,CID885943,,0.0,,0.0,,,0.0,0.0,,,,,,,,,0.0
COc1ccc(Nc2ccccc2C(=O)O)cc1,CID202918,,,,,,,,,,,,,,0.0,,,
O=C(Nc1ccc(Nc2ccccc2)cc1)C(Cl)(Cl)Cl,CID759107,,,,,,,,,,,,,,0.0,,,
CCCC(=O)Nc1ccc(Nc2ccccc2)cc1,CID886038,,,,,,,,,,,,,,,0.0,,
Cc1c(Cl)cccc1Nc1ccccc1C(=O)O,CID610479,0.0,,,,,,,,,0.0,,,0.0,0.0,0.0,0.0,
CC(C)c1cc(Nc2cccc(O)c2)cc(C(C)C)c1O,CID767400,,,0.0,0.0,,,,,,0.0,,,,,,,
CNC(=O)N(c1ccccc1)c1ccccc1,CID25711,,,,0.0,,0.0,,,,0.0,,,,,,0.0,
CCOC(=O)Nc1cccc(Nc2ccccc2)c1,CID620656,0.0,,,0.0,,,,,,,,0.0,,,,0.0,
Cc1cccc(Nc2ccc([N+](=O)[O-])cc2C(=O)O)c1,CID3130546,,,,,,,,,,,,,,,0.0,,
Nc1ccc(Nc2ccccc2N)cc1,CID774866,,,,0.0,,,,0.0,,,,,,,,0.0,
COc1cc(C)c(N(C(C)=O)c2ccccc2)c(C)c1,CID2877940,0.0,,,,,0.0,0.0,,0.0,0.0,,,0.0,,,0.0,
COc1c(F)c(F)c(C(=O)O)c(Nc2ccc(C)cc2)c1F,CID4549322,,,,,,,,,,,,0.0,,,,,
COc1c(F)c(F)c(C(=O)O)c(Nc2cc(C)cc(C)c2)c1F,CID4549326,,,,,,,,,,,,,,0.0,,,
CCc1ccccc1Nc1ccc(C(=O)O)cc1N,CID3240871,0.0,,,,,,,,,0.0,0.0,,,,,0.0,
Cc1ccc(Nc2ccccc2)cc1,CID12109,,,,,,,,,,,,0.0,,,,,
COc1ccc(Nc2c(C)cccc2C)cc1,CID1204369,,,,,,,,,,0.0,,,,,,,
CC(=O)c1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1,CID625459,,,,,,0.0,,,,,,,,,,,
O=C(CCl)N(c1ccccc1)c1ccccc1,CID224481,,,,,,,,,,,,,,0.0,,,
COc1ccc(Nc2ccccc2)c(C)c1,CID162461,,,,0.0,,,,0.0,,,,0.0,,,,0.0,
N#Cc1cc(N)c(Nc2ccccc2)cc1C#N,CID2169094,,,0.0,,,,0.0,0.0,,,,,0.0,0.0,,0.0,
COc1cccc(Nc2c(F)c(F)c(F)c(F)c2C(=O)O)c1,CID1399576,,,,,,,,,0.0,,,,,,,,
CCCNC(=S)Nc1ccc(Nc2ccccc2)cc1,CID2196077,,,,,,0.0,,,,,,,,,,,
COc1ccccc1Nc1c([N+](=O)[O-])cc(C)cc1[N+](=O)[O-],CID2838604,,,,,,,,,,,,,,,0.0,,
COCCNC(=O)COc1ccc(Nc2ccccc2)cc1,CID2532044,,0.0,,,,,,,,,,,,,,0.0,0.0
COc1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1,CID260958,,,,,,,,,,,,,,,0.0,,
Nc1cc(C(=O)O)ccc1Nc1ccc(F)c(F)c1,CID3239636,,,,,,,,,,,,,,,,,0.0
CNC(=O)COC(=O)c1ccccc1Nc1ccccc1,CID2420011,,,,,,,,,,,,,,,0.0,,
Cc1cccc(Nc2ccccc2)c1,CID14569,,,,,,,0.0,,,,,,,,,,
CCOc1ccccc1Nc1ccc(C(=O)O)cc1NC(C)=O,CID3236685,0.0,,0.0,0.0,,,0.0,0.0,0.0,,0.0,,,,,,
COc1cccc(Nc2c(F)c(OC)c(F)c(F)c2C(=O)O)c1,CID3236726,,,,,,,0.0,,,,,,,0.0,,,0.0
CC(OC(=O)c1ccccc1Nc1ccc(SC(F)F)cc1)C(N)=O,CID5218194,,,,,,,,,,,,,,0.0,,,
O=C(Nc1ccc(Nc2ccccc2)cc1)C(Cl)Cl,CID885713,,,,,,,,,,,,,,0.0,,,
O=C(O)c1ccccc1Nc1ccccc1,CID4386,,,,,,,,0.0,,,,,,,,,
Cc1ccc(Nc2ccc(C(=O)O)cc2N)cc1,CID871516,,,,,,,,,,,,0.0,,,0.0,,
O=C(O)c1ccccc1Nc1ccccc1C(=O)O,CID11371,,,,,,,,,,,,,,,0.0,,
CNC(=S)NN(c1ccccc1)c1ccccc1,CID2423469,,,,,,0.0,,,,,0.0,,,,,,
Nc1cc(C(=O)O)ccc1Nc1ccccc1,CID773821,,,0.0,0.0,,,,,,,,,,,,,
Nc1ccccc1Nc1ccccc1,CID68297,,,,,,,,,,,0.0,,,,,,
Nc1ccc(Nc2ccccc2)cc1,CID7564,,,,,,,,,,0.0,,0.0,,,,,
COc1ccc(Nc2ccc(Cl)cc2)c(C(=O)O)c1,CID901930,,,,,,,,,,,,,,0.0,,,
CCC(=O)Nc1ccc(Nc2ccccc2)cc1,CID853805,,,,0.0,,,0.0,,,0.0,,0.0,,,,0.0,
O=C(O)c1cccc(S(=O)(=O)N2CCOCC2)c1,CID257476,,,,,0.0,,,0.0,,,,0.0,,,,0.0,0.0
O=S(=O)(c1cc(Cl)ccc1Br)N1CCOCC1,CID870721,,,,,,,,,0.0,,,,,,,,
CC(C)(C)SCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1,CID1798709,,,,,,,,,0.0,,,,,,,,
COc1cc(C)c(Br)cc1S(=O)(=O)N1CCOCC1,CID1258040,,,,,,,,,0.0,,,,,,,,
CCOC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1,CID793747,,,,,,,,,,,,,,0.0,,,
O=S(=O)(c1ccccc1C(F)(F)F)N1CCOCC1,CID697921,,,,,,,,,,,,,,,,,0.0
COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl,CID1093365,,,,,,,,,,0.0,,,,,,,
Cc1ccc(C(=O)O)cc1S(=O)(=O)N1CCOCC1,CID767897,,,0.0,,0.0,,,0.0,0.0,,,,,0.0,,,
CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1,CID674491,,,,,0.0,,,,,0.0,,,,,,,
COc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCOCC1,CID747368,,,,,,,,,0.0,,,,,,,,
CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCOCC1,CID850073,,,,,,,,,0.0,0.0,,0.0,,,,,
COc1cc(C)c(S(=O)(=O)N2CCOCC2)cc1C(C)C,CID847895,,,,0.0,,,,,0.0,,,,,0.0,,0.0,
COc1ccc(C(=O)NCCC(C)C)cc1S(=O)(=O)N1CCOCC1,CID2083498,,,0.0,0.0,,,0.0,,,0.0,,,,,,,
COc1ccc(Br)cc1S(=O)(=O)N1CC(C)OC(C)C1,CID2930814,0.0,,,,,,0.0,,0.0,,,,,0.0,,,
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)O,CID872135,,,0.0,0.0,0.0,,,,0.0,,,,,0.0,,0.0,
COc1ccc(S(=O)(=O)N2CCOCC2)cc1OC,CID776862,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(C(C)C)cc1S(=O)(=O)N1CCOCC1,CID850074,,,,,,,,,,,,,,0.0,0.0,,
CC1CN(S(=O)(=O)c2ccccc2)CC(C)O1,CID2849564,,,,,,,,0.0,0.0,,,,,0.0,,,
CCOCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1,CID2162909,,,,,,,,,,,,,,0.0,,0.0,
CCOC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1,CID3067696,,,,0.0,,,,,,,,,,,,0.0,
COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(C)C,CID971646,,,0.0,0.0,,,,,0.0,,,,,0.0,,0.0,
CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CC(C)OC(C)C1,CID2968838,,,,,,,,,0.0,,,,,,,,
COc1cc(S(=O)(=O)N2CCOCC2)ccc1F,CID655210,,,,0.0,,,,,0.0,,,0.0,,,,,
CCN(CC)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1,CID2320116,,,,,,,,,,0.0,,,,,,,
COc1ccc(S(=O)(=O)N2CCOCC2)c(C)c1C,CID1085553,,,,,,,,,0.0,0.0,,0.0,,,,,
COC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1C,CID972838,,,,,0.0,,,,0.0,,,,,,,,
CCOc1cc(Br)ccc1S(=O)(=O)N1CC(C)OC(C)C1,CID2969390,,,,,,,,,,,,0.0,,,,,
CCOc1cc(S(=O)(=O)N2CCOCC2)ccc1F,CID934719,,,,,,,,0.0,0.0,,,,,,,,
CC(C)C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])C(=O)OCC(N)=O,CID15945434,,,,,,,,,,,,,,,0.0,,
COC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1,CID847855,,,,,,,,0.0,,,,,0.0,,,0.0,
CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CC(C)OC(C)C1,CID2981287,,,,,,,,0.0,0.0,,,,,,,,
CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCOCC1,CID935156,,,,,,,,0.0,0.0,,,0.0,,0.0,0.0,0.0,
CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1,CID88976,,,,,,,,,,,,,,,0.0,,
COc1cc(C)c(S(=O)(=O)N2CCOCC2)cc1C,CID801472,,,,,,,,,0.0,0.0,,0.0,,0.0,,,
CCOc1ccc(Br)cc1S(=O)(=O)N1CC(C)OC(C)C1,CID2933068,0.0,,,,,,0.0,,0.0,,,,,,,0.0,
CCCCOC(=O)Nc1ccc(OC)cc1S(=O)(=O)N1CCOCC1,CID2353836,0.0,,,,,,,,,0.0,,,,,,0.0,
Cc1cc(S(=O)(=O)N2CCOCC2)ccc1F,CID977826,,0.0,0.0,,,,,,,,,0.0,,,,,
COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1,CID779656,,,,,,,,,0.0,,,,,,,,
CCC(C)NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1,CID2999657,,,,,,0.0,,0.0,,,,,0.0,,,,
Cc1cc(C(=O)O)cc(S(=O)(=O)N2CCOCC2)c1C,CID699559,,0.0,,,0.0,,,,,0.0,,0.0,0.0,,,0.0,
O=C(O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1,CID2322807,,,,,,,,,,,,0.0,,0.0,,,
CCC(C)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC,CID2968385,,,,0.0,,,,,,,,0.0,,,,,
COc1cccc(S(=O)(=O)N2CCOCC2)c1,CID890650,,,,,,,,,0.0,,,,,,0.0,,
COC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1,CID647348,,0.0,,0.0,0.0,,,,,,,,,,,0.0,
CC(=O)NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1,CID650123,,,0.0,0.0,,,0.0,0.0,,,,,,,,0.0,
COc1ccc(Br)cc1S(=O)(=O)N1CCOCC1,CID775747,,,,,,,,,0.0,,,,,0.0,,,
Cc1cc(Cl)c(S(=O)(=O)N2CC(C)OC(C)C2)cc1OCC(N)=O,CID2949860,,,,0.0,,,,,0.0,,,,,,,,
COc1ccc(S(=O)(=O)N2CCOCC2)c(Cl)c1Cl,CID894294,,,,,,,,,,,,0.0,,,,,
CCCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1,CID832695,,,,,,,,,0.0,,,,,,,,
CSCCC(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])C(=O)OCC(=O)N(C(C)C)C(C)C,CID4354570,,,,,,,,,,,,,,0.0,,,
CC#CCN(CC#CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1,CID646302,,,,,0.0,,0.0,,,,0.0,,,,,,
CCCCN(C)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1,CID2476157,,,,,,,,,,,,0.0,,,,,
Cc1ccc(CC(C(=O)Nc2ccc(F)cc2)/C(N)=N/O)cc1,CID9567988,,,,0.0,,,,,,,,,,,,,
COc1ccc(CC(C(=O)Nc2cc(C)ccc2C)/C(N)=N/O)cc1,CID9567989,,,,,,,0.0,0.0,,,,,,0.0,,,
COc1ccc(NC(=O)CC(C)c2ccccc2)c([N+](=O)[O-])c1,CID2915933,,,,,,,,,,,,,,,0.0,,
COc1ccc(CCC(=O)Nc2ccccc2C(F)(F)F)cc1,CID674575,,,,,,,,,,,,,,0.0,,,
CN(C)c1cccc(NC(=O)CCc2ccccc2)c1,CID683809,,,,,0.0,,0.0,,,0.0,0.0,,,,,0.0,
NS(=O)(=O)c1ccc(NC(=O)CCc2ccccc2)cc1,CID673507,,0.0,,,0.0,,0.0,,,,,,,,,0.0,
CCN(CC)S(=O)(=O)c1ccc(NC(=O)CC(NC(C)=O)c2ccccc2)cc1,CID5154752,,,,,,,,,,,0.0,,,,,,
O=C(CCc1ccccc1)Nc1c(F)c(F)c(F)c(F)c1F,CID2164342,,,,,,,,,0.0,,,,,,,,
COc1ccc(Cl)cc1NC(=O)CC(C)c1ccccc1,CID2916459,,,,,,,,,,0.0,,,,0.0,,,
CC(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1,CID2915906,,,,,,0.0,,,,,,0.0,,,,,
COc1ccccc1CCC(=O)Nc1ccc(C)cc1Cl,CID2438724,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C(=O)O)cc1NC(=O)CCc1ccccc1,CID1255346,,,,,,,,,,,,,,,0.0,,
COC(=O)c1cccc(NC(=O)CCc2cc(OC)c(OC)c(OC)c2)c1,CID2676498,,,,,,,,,,,,,,,0.0,,
O=C(CCc1ccccc1)Nc1cc(C(=O)O)cc(C(=O)O)c1,CID808756,,,,,,0.0,,,,,,,,,,,
COc1cc(OC)c(NC(=O)CCc2ccccc2)cc1Cl,CID823918,,,,,,,,,,0.0,,,,0.0,,,
CC(CC(=O)Nc1ccc(Cl)cc1)c1ccccc1,CID2854202,,,,,,0.0,,,,,,,,,,,
COC(=O)c1cccc(NC(=O)CCc2ccccc2)c1,CID2072960,,,,,,,,,,,,,,0.0,0.0,,
CCc1ccccc1NC(=O)CCc1ccccc1,CID835370,,,,,,0.0,,,,,,,,,,,
COc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccccc1,CID674958,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(NC(=O)C(CC(=O)O)Cc2ccccc2)cc1,CID2892168,,,,,,0.0,,,,,,,,,,,
COc1ccc(C)cc1NC(=O)CC(NC(C)=O)c1ccccc1,CID4878878,,,,,,,,,,,,,,0.0,,,
Cc1cc(NC(=O)CCc2ccccc2)c([N+](=O)[O-])cc1C,CID2939088,,,,,,,,,,,,,,0.0,,,
CC(C)NC(=O)c1ccccc1NC(=O)CCc1ccccc1,CID848366,,,,,,,,,0.0,,,,,,,,
O=C(CCc1ccccc1)Nc1cccc(Cl)c1,CID532828,,,,,,0.0,,,,,,,,,,,
O=C(CC(C(=O)O)c1ccccc1)Nc1ccccc1,CID12034064,,,,,,,,,,,,,,,0.0,,
Cc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccccc1,CID675893,,,,,,,,,,,,,,,0.0,,
COc1ccc(CC(CC(=O)O)C(=O)Nc2ccc(OC)cc2)cc1,CID3239297,,0.0,0.0,,,0.0,,,,,,,,,,0.0,
COc1cc(CCC(=O)Nc2cc(C)cc(C)c2)cc(OC)c1OC,CID2683319,,,,,,,,,,,,,,,0.0,,
CC(=O)Nc1cccc(NC(=O)CCc2ccccc2)c1,CID884216,,,,,,,,,,0.0,,0.0,,,,,
COc1cc(NC(=O)CCc2ccccc2)c(C(=O)O)cc1OC,CID686844,,0.0,0.0,,,,0.0,0.0,,,,,,,,0.0,
CC(CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1,CID2914059,,,,,,0.0,,,,,,,,0.0,,,
O=C(CCc1ccccc1)Nc1cccc([N+](=O)[O-])c1,CID245648,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccc(C)c(NC(=O)CCc2ccc(OC)c(OC)c2)c1,CID2673202,,,,,,,,,,,,,,,0.0,,
O=C(CCc1ccccc1)Nc1cc(Cl)ccc1O,CID831070,,,,,,,,,,,,,,,,0.0,
Cc1ccccc1NC(=O)CCc1ccccc1,CID874995,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C)c(NC(=O)CC(C)c2ccccc2)c1,CID2854198,,,,,,0.0,,,,,,,,,,,
COc1ccc(OC)c(NC(=O)C(CC(=O)O)Cc2ccc(Cl)cc2)c1,CID3753455,,,,,,,,,,0.0,,,,,,,
CCOC(=O)C(Cc1ccccc1)C(=O)Nc1ccccc1C,CID2836840,,,,,,0.0,,,,,,,,,0.0,,
COc1ccc(CCC(=O)Nc2cc(Cl)ccc2OC)cc1,CID868614,,,,,,,,,,0.0,,,,0.0,,,
COC(=O)c1ccccc1NC(=O)CCc1ccccc1,CID903133,,,,,,,,,,,,,,0.0,,,
COc1ccc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1,CID896865,,,,,,,,,,,,,,,0.0,,
O=C(CCc1ccccc1)Nc1ccccc1[N+](=O)[O-],CID2790153,,,,,,,,,,,,,,,0.0,,
COCC(C)NS(=O)(=O)c1ccc(NC(=O)C(Cc2ccccc2)NC(N)=O)cc1,CID2997757,,,,,,,,,,,0.0,,,,,,
O=C(CCc1ccccc1)Nc1ccc(F)cc1F,CID772356,,,,,,,,,0.0,,,,,,,,
NC(=O)c1ccccc1NC(=O)CCc1ccccc1,CID772352,0.0,,,0.0,,,0.0,0.0,,,,,,,,,
Cc1ccc(F)c(NC(=O)CCc2ccccc2)c1,CID803035,,,,,,,,,,0.0,,,,,,,
CCOC(=O)C(Cc1ccccc1)C(=O)Nc1cccc(C)c1,CID2836853,,,,,,,,,,,,,,,0.0,,
CC(C)NS(=O)(=O)c1ccc(NC(=O)CCc2ccccc2)cc1,CID935614,,,,,,,,,,,,0.0,,,,,
COc1ccc(NC(=O)C(CC(=O)O)Cc2ccccc2)cc1,CID3826964,,,,,,0.0,,,,,,,,,,0.0,
CS(=O)(=O)c1ccc(Cl)c(NC(=O)CCc2ccccc2)c1,CID2089148,,,,,,,,,,,,,,0.0,,,
COc1ccc(CC(CC(=O)O)C(=O)Nc2ccccc2)cc1,CID3238574,,,,0.0,,,,,,,0.0,,,,,,
COc1ccc(NC(=O)C(CC(=O)O)Cc2ccc(C)cc2)cc1,CID2910055,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccc(-n2nnnc2SC)cc1,CID713731,,,,,,,,,,0.0,,,,,,,
CSc1nnnn1-c1cccc(O)c1,CID713737,,,,0.0,,,,,,,,0.0,,,,,
COc1cccc(-n2cnnn2)c1,CID856021,,,,,,,,,,0.0,,0.0,,,,,
Cc1c(N)cccc1-n1cnnn1,CID2114008,,,,,,,,,,,,,,0.0,,,
CCOC(=O)NC(=O)CSc1nnnn1-c1ccc(Cl)cc1,CID2610226,,,,,,,,,,,,,0.0,,,,
N#CCCS(=O)(=O)c1nnnn1-c1ccccc1,CID3242053,,0.0,0.0,0.0,,,,,,,,,,,,,
O=C(O)CSc1nnnn1-c1ccccc1,CID675082,,,,,,,,,,0.0,0.0,,,,,,
CCCS(=O)(=O)c1nnnn1-c1cccc(OC)c1,CID2215161,,0.0,,,,,,,,,,,,,,0.0,0.0
Clc1ccc(-n2cnnn2)cc1,CID270006,,,,,,,0.0,,,,,,,,,,
COC(=O)c1cccc(-n2cnnn2)c1,CID830989,,,,,,,,,0.0,,0.0,,,,,,
NC(=O)CSc1nnnn1-c1ccc(OC(F)(F)F)cc1,CID1262812,0.0,0.0,,,0.0,,,,,0.0,,0.0,,,,,
COc1ccc(-n2nnnc2SCC(N)=O)cc1,CID864595,,,,0.0,,,,,,0.0,,0.0,,,,,
N#CCCCSc1nnnn1-c1cccc(Cl)c1,CID592588,,,,0.0,0.0,,,,,,,,,,,,0.0
CS(=O)(=O)NCCSc1nnnn1-c1ccccc1,CID2222244,0.0,0.0,,,,,,,,,,,,,,,
COC(=O)COC(=O)c1ccc(-n2nnnc2SC)cc1,CID663968,,0.0,,0.0,,,,,,,,,,,,,0.0
CC(=O)Nc1ccc(-n2cnnn2)cc1,CID539520,,,,,,,,,,,,,,,0.0,,
CNC(=O)CSc1nnnn1-c1ccc(C)cc1C,CID645067,,,,0.0,,,,,,0.0,,,0.0,,,,
CCOC(=O)CSc1nnnn1-c1cc(OC)c(Cl)cc1OC,CID1017208,0.0,,,,0.0,,0.0,,,,,,,,,,
Oc1ccc(-n2cnnn2)cc1,CID542910,,,,,,,,,0.0,,,0.0,,,,,
C/C(N)=C(/C#N)C(=O)CSc1nnnn1-c1ccc(C)cc1,CID5742450,,,,0.0,,,0.0,,,,,,,,,0.0,
Cc1ccccc1-n1nnnc1SCC(N)=O,CID2388289,,0.0,,0.0,,,,0.0,,0.0,,0.0,0.0,,,,
C=CCSc1nnnn1-c1ccc(OC)cc1,CID553033,,,,,,,,,,0.0,0.0,,,,,,
Cc1ccc(S(N)(=O)=O)c(C)c1-n1cnnn1,CID1508863,,,,,,,,,,,,,,0.0,,,
CCOC(=O)CSc1nnnn1-c1cc(OC)ccc1OC,CID649339,,0.0,,,,,,,,,,,,,,,
CC#CCN(CC#CC)S(=O)(=O)c1ccc(-n2cnnn2)c(OC)c1,CID647624,,,,,,0.0,,0.0,,0.0,0.0,,,,,0.0,
COc1ccc(OC)c(-n2cnnn2)c1,CID665562,,0.0,0.0,0.0,,,0.0,,0.0,,,,,,,,
CCCOc1nnnn1-c1ccccc1,CID3150887,,,,,,,,,,,,0.0,,,,,
CCOC(=O)CNC(=O)CSc1nnnn1-c1cc(C)ccc1C,CID645071,,0.0,,,,,,,0.0,,0.0,,0.0,,,0.0,
O=C(O)CCSc1nnnn1-c1ccccc1,CID649116,,0.0,,,,,,,,,,,,,,,
CCOC(=O)NC(=O)CSc1nnnn1-c1ccccc1,CID2172307,,0.0,,,,,,,,,,,,,,,0.0
Cc1ccc(-n2nnnc2SCC(N)=O)c(C)c1,CID939027,,0.0,,0.0,,,,,,0.0,,0.0,,,,,
COc1cccc(-n2nnnc2S(C)(=O)=O)c1,CID2221997,,,,,,,,,,0.0,,,,,,,
CC(=O)Nc1cc(-n2cnnn2)ccc1C,CID855910,,,,,,,,,,,,,,,0.0,,
CCNS(=O)(=O)c1ccc(C)c(-n2cnnn2)c1C,CID672584,,,,,,,,,,0.0,,,,,,,
Fc1ccc(-n2cnnn2)c(F)c1,CID655495,,0.0,,0.0,,,,,,,,,,,,,
COC(=O)COc1cccc(-n2cnnn2)c1,CID653890,,,0.0,,,0.0,,,0.0,,,,0.0,,,,
CCS(=O)(=O)c1nnnn1-c1ccccc1S(C)(=O)=O,CID1778871,,,,,0.0,,,,,,,,,,,0.0,
O=C(O)/C=C\c1cccc(-n2cnnn2)c1,CID1824663,,,,,,,,,,,,,,,0.0,,
COc1ccc(-n2nnnc2SCC#CCO)cc1,CID666301,,0.0,0.0,,,,,,,0.0,0.0,,,,,0.0,
Cc1cc(C)c(-n2nnnc2SC(C)C)c(C)c1,CID465091,,,,,,,,,,,,,,0.0,0.0,,
OCCOc1nnnn1-c1ccccc1,CID3977533,,,,,,,,,,0.0,,,,,,,
Cc1ccc(-n2nnnc2SC(C)C(N)=O)c(C)c1,CID2998072,,0.0,0.0,0.0,,,,,,0.0,,,0.0,,,,
CCOC(=O)CNC(=O)CSc1nnnn1-c1ccc(C)c(C)c1,CID645874,,0.0,,0.0,,,,0.0,,,0.0,,0.0,,,0.0,
COC(=O)CSc1nnnn1-c1ccccc1,CID793874,,0.0,0.0,,,,,,,0.0,,,,,,0.0,
CNC(=O)CSc1nnnn1-c1cc(C)ccc1C,CID857583,,,,,,,,,,0.0,0.0,,,,,,
COc1ccc(-n2nnnc2SC(C)C(N)=O)cc1,CID2997569,,,,,,,,,,0.0,,0.0,0.0,,0.0,,
CC(C)Oc1nnnn1-c1ccccc1,CID1263322,,,,,,0.0,,,,,,0.0,,,0.0,,
COc1ccc(S(=O)(=O)NC(C)C)cc1-n1cnnn1,CID1504722,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)c(S(N)(=O)=O)c(C)c1-n1cnnn1,CID1232477,,0.0,,0.0,,,,,,,,0.0,,,,,
O=C(O)c1cccc(-n2cnnn2)c1,CID750220,,0.0,,,,,,0.0,,,,,0.0,,,0.0,
CCOC(=O)NC(=O)CSc1nnnn1-c1ccc(C)cc1,CID2615796,,,0.0,0.0,,,,,,,,,,,,,
CCN(CC)C(=O)COc1ccc(-c2ccccc2)cc1,CID717707,0.0,,,,,,,0.0,0.0,,,,,,,,
CC(CNC(=O)c1ccc(-c2ccccc2)cc1)CN(C)C,CID3809547,,,,,,0.0,,,,,,,,,,,
CC(=O)Oc1ccc(-c2ccc(C(=O)O)cc2)cc1,CID611836,,0.0,0.0,,,,,0.0,0.0,,,,,0.0,,,
CCCCCC(=O)NNC(=O)c1ccc(-c2ccccc2)cc1,CID2166878,,,,,,,,,,,,0.0,,,,,
CCN(CC)S(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N(CC)CC)cc2)cc1,CID1381656,,,,,,,,,,,0.0,,,,0.0,,
CCN(CC)C(=O)c1cccc(-c2ccc(OC)cc2)c1,CID889302,,,0.0,,,,0.0,,0.0,,0.0,,,,,0.0,
CN(C)CC(=O)c1ccc(-c2ccccc2)cc1,CID768313,,,,,,,,0.0,0.0,0.0,0.0,,0.0,,,0.0,
COc1ccc(-c2cccc(C(=O)NCC(=O)O)c2)cc1,CID890085,,,,,,0.0,,,0.0,0.0,0.0,,,,0.0,,
O=C(O)COCC(=O)Nc1ccccc1-c1ccccc1,CID1431328,,,,,,,,,,,,,,,0.0,,
CC(C)(C)C(=O)NC(=S)NNC(=O)c1ccc(-c2ccccc2)cc1,CID2236648,,,,,,,,,,,,,,0.0,,,
O=C(O)CNS(=O)(=O)c1ccc(-c2ccccc2)cc1,CID893637,,,,,,,,,,,,,,0.0,,,
CC(=O)Nc1cc(-c2ccccc2)ccc1O,CID79419,,,,0.0,,,0.0,,,0.0,0.0,,,,,0.0,
CCOC(=O)CCS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)CCC(=O)OCC)cc2)cc1,CID3092021,,,,,,,,,,,,,,,0.0,,
CCOc1cc(-c2ccc(N)c(OCC)c2)ccc1N,CID974772,0.0,,,,,,,,,0.0,,,,,,0.0,0.0
CC(C)CNC(=O)c1ccccc1-c1ccccc1C(=O)O,CID683373,,,,,,,,,,,0.0,,,,,,
CCN(CC)CC(=O)c1ccc(-c2ccccc2)cc1,CID768473,,,,,,,0.0,,,0.0,0.0,,,,,,
O=C(O)c1cc(O)ccc1-c1ccc(O)cc1,CID650353,,,,,0.0,,,0.0,,,,0.0,,,,0.0,
COc1ccc(-c2cc(O)cc(O)c2)cc1,CID612269,,,,,0.0,,,,,0.0,0.0,,,,,,
COc1cc(OC)c(-c2cc(C(=O)O)ccc2OC)c(OC)c1,CID847746,,,,,,,,,,,,,,0.0,,,
COCCNS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)NCCOC)cc2)cc1,CID3240751,,,,,0.0,,,,,,,,,,,,
COCCNS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1,CID2190037,,,,,,,,,,,,,,0.0,,,
CC(=O)Oc1ccc(-c2cccc(C(=O)NC(C)(C)C)c2)cc1,CID2331133,,,,,,0.0,,,,,,,,,,,
COc1ccc(-c2ccc(OC)cc2)cc1,CID16484,,,,,,,,,,,0.0,0.0,,,,,
COc1ccc(-c2ccc(OC)cc2C(=O)O)cc1,CID2060525,,,0.0,,,,0.0,,0.0,,0.0,,,0.0,0.0,,
CN(C)S(=O)(=O)c1ccc(-c2ccccc2)cc1,CID802859,,,0.0,,0.0,,,0.0,,,,0.0,,,0.0,,
O=C(O)c1ccc(-c2ccc(O)c(F)c2)cc1,CID836139,,,,,,,,0.0,,,,,,,,,
COC(=O)COc1ccc(-c2ccccc2)cc1C=O,CID818599,,,,,,,,,,,,,,0.0,0.0,,
CNC(=O)c1ccccc1-c1ccccc1,CID976170,,,0.0,0.0,,,,,0.0,,,0.0,,,,,
O=C(O)CCC(NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)O,CID644601,,,,,0.0,,,,,0.0,0.0,,,,,0.0,
CC(Oc1ccc(-c2ccccc2)cc1)C(=O)O,CID101181,0.0,,,,,,,0.0,0.0,0.0,,,,,,,
O=C(O)c1ccccc1-c1ccccc1C(=O)NCCCO,CID2151844,,,,,,0.0,,,,,,0.0,,,,,
COc1cc(CO)cc(-c2cc(CO)cc(OC)c2OC)c1OC,CID3236060,,,,,0.0,,,,,,0.0,,,,,,
CCS(=O)(=O)Nc1ccc(-c2ccc(NS(=O)(=O)CC)c(OC)c2)cc1OC,CID1293958,,,,,0.0,,0.0,,,,,,,,,,0.0
COCCNS(=O)(=O)c1ccc(-c2ccc(C)cc2)cc1,CID2190160,,,,,,,,,0.0,,,,,,,,
CN(C)CC(O)COc1ccc(-c2ccc(C#N)cc2)cc1,CID661384,0.0,,,,0.0,,0.0,,,,,,,,,,
O=C(CCl)Nc1ccc(-c2ccccc2)cc1,CID2170628,,,,,,,,,,,,,,0.0,,,
COCCNC(=O)c1ccccc1-c1ccccc1C(=O)O,CID2142426,,,0.0,,,,,,,0.0,,,0.0,,,,
Nc1cc(-c2ccccc2)ccc1O,CID14562,,,,,,,0.0,,,0.0,,,,,,0.0,
CC(C)NC(=O)c1ccccc1-c1ccccc1,CID976213,,,,,,,,,0.0,0.0,0.0,,,,,,
CO/N=C/CC(=O)c1ccc(-c2ccccc2)cc1,CID2768549,,,,,,,,,,,,,,0.0,,,
CC(C)OC(=O)COc1ccc(-c2ccccc2)cc1,CID2791913,,,,,,,,,,,,,,0.0,,,
CN(C)C(=O)c1ccccc1-c1ccccc1,CID976212,,,,,,,0.0,,0.0,,,,,,,,
Cc1cccc(N)c1-c1c(C)cccc1N,CID882241,,,,,,,,,,,,,,,0.0,,
C=CCN(CC=C)C(=S)NC(=O)c1ccc(-c2ccccc2)cc1,CID1791929,,,,,,,,,,,,0.0,,,,,
O=C(O)CCC(=O)c1ccc(-c2ccccc2)cc1,CID3335,,,,,,,,,,,,,,0.0,,,
O=C(O)Cc1ccc(-c2ccccc2)cc1,CID3332,,,,,,,,,,,0.0,,0.0,0.0,,,
CN(C)CCNC(=O)c1ccccc1-c1ccccc1,CID976182,0.0,,,,,,,,,0.0,,,,,,,
O=C(O)/C=C/C(=O)Nc1ccccc1-c1ccccc1,CID869886,,,,,,0.0,,,,,,0.0,,,,,
CN(C)CCCNC(=O)c1ccc(-c2ccccc2)cc1,CID660509,0.0,,,0.0,,0.0,,,,,,,,,,0.0,
CCCN(CCC)C(=S)NC(=O)c1ccc(-c2ccccc2)cc1,CID2224292,,,,,,,,,,,,0.0,,,,,
CC(C)CCNS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)NCCC(C)C)cc2)cc1,CID5195355,,,,,,,,,0.0,,,,,,,,
Cc1ccc(N2CC(C(N)=O)CC2=O)cc1,CID651502,,,0.0,0.0,,,,0.0,,,,0.0,0.0,,,,
Cc1cc(N2CCCC2=O)cc(C)c1S(N)(=O)=O,CID847885,,0.0,0.0,,0.0,,0.0,0.0,,,,,0.0,,,,
COCC(C)NC(=O)C1CC(=O)N(c2ccc(C)cc2)C1,CID655214,,,,,,,,,,0.0,,,,,,,0.0
CCN(CC)C(=O)C1CC(=O)N(c2ccc(F)c(Cl)c2)C1,CID3236644,,,,0.0,,,,,,,,,,,,0.0,
CCCCN(C)CCCNC(=O)c1ccc(N2CCCC2=O)cc1,CID3237863,,,,,0.0,0.0,0.0,0.0,,,,,,,,,
C=COCCNC(=O)C1CC(=O)N(c2ccc(C)cc2)C1,CID648587,,0.0,0.0,,,,,0.0,,,0.0,,0.0,,,0.0,
Cc1ccc(N2CC(C(=O)NCC(C)O)CC2=O)cc1,CID2883201,,,,,,0.0,,,,,,,,,,,
Cc1ccc(S(=O)(=O)O)c(C)c1N1CCCC1=O,CID1599870,,,,0.0,,,,,0.0,,0.0,,,,,0.0,
C=CCNC(=O)C1CC(=O)N(c2ccc(C)cc2)C1,CID2883616,,,,,,,,,,0.0,0.0,,,,,,
CCc1ccccc1N1CC(C(=O)O)CC1=O,CID2968626,,,0.0,,,,,0.0,,0.0,,,0.0,0.0,,,0.0
Cc1cc(C)cc(N2CCCC2=O)c1,CID847897,,,,,,,,,0.0,,,,,,0.0,,
O=C(O)C1CC(=O)N(c2ccc(F)c(F)c2)C1,CID2969325,,,,,,,,,,,,,0.0,,,,
Cc1ccc(N2CC(C(=O)NCCC(C)C)CC2=O)cc1,CID650238,,,,,0.0,,,,,0.0,,,0.0,,,,
O=C(O)c1cccc(N2CCCC2=O)c1,CID3240794,,,,,,,,0.0,,,,,,,,,
CNC(=O)c1cccc(N2CCCC2=O)c1,CID3237870,,,0.0,0.0,,,,,,,,0.0,0.0,,,,
Cc1ccc(N2CC(C(N)=O)CC2=O)cc1C,CID2927255,,,0.0,0.0,,,,0.0,,,,,,,,,
CC(C)c1ccccc1N1CC(C(=O)O)CC1=O,CID647180,,,,0.0,,,0.0,,0.0,0.0,,,0.0,,,,
COCCNC(=O)C1CC(=O)N(c2ccc(C)cc2)C1,CID645623,,,,,,,,0.0,,0.0,,,,,,,
O=C(O)C1CC(=O)N(c2ccc(Br)cc2)C1,CID2912208,,,,,,,0.0,,,,0.0,0.0,,,,,
C=CCN(CC=C)C(=O)C1CC(=O)N(c2ccc(Br)cc2)C1,CID2883786,0.0,,,,,,0.0,,0.0,,0.0,0.0,,0.0,,0.0,0.0
CCCCNC(=O)Oc1cccc(N2CCCC2=O)c1,CID2249247,,,,,0.0,,,,,,,,0.0,,0.0,,0.0
Cc1ccc(C(=O)O)cc1N1CCCC1=O,CID4413989,,,,,,,,,,,,,,,0.0,,
O=C1CCCN1c1ccc(Br)cc1,CID736110,,,,,,,,,0.0,,,,,,,,
CCCCOc1ccc(N2CC(C(=O)NC(C)C)CC2=O)cc1,CID629147,,,,,0.0,,,0.0,,,,,,,,,
CCNS(=O)(=O)c1c(C)cc(N2CCCC2=O)cc1C,CID706858,,,0.0,0.0,,,0.0,0.0,,0.0,0.0,,,,,0.0,
Cc1cc(N2CC(C(=O)O)CC2=O)ccc1Br,CID607825,0.0,,,,,,,,0.0,,0.0,0.0,,,,,
Cc1cccc(N2CC(C(=O)O)CC2=O)c1,CID2911491,,,0.0,,,,,0.0,,,,,0.0,,,,0.0
Cc1ccc(N2CC(C(=O)OCC(=O)C(C)(C)C)CC2=O)cc1C,CID649338,,0.0,,,,,0.0,,,,,,,,0.0,0.0,
C=CCNC(=O)C1CC(=O)N(c2ccc(Br)cc2)C1,CID3116857,0.0,,,,,,0.0,,0.0,,0.0,0.0,,,,0.0,
CCCOc1ccc(N2CC(C(=O)NC(C)C)CC2=O)cc1,CID651536,,,,,0.0,0.0,0.0,,,0.0,,,0.0,,,,0.0
COCCNC(=O)C1CC(=O)N(c2ccc(F)c(Cl)c2)C1,CID4110392,,,,,,,0.0,,,,,,,,,0.0,
CCOc1ccc(N2CC(C(=O)NC(C)C)CC2=O)cc1,CID654257,,,,0.0,,,,,,0.0,,,,,,,0.0
CC(C)NC(=O)C1CC(=O)N(c2ccc(F)c(Cl)c2)C1,CID3240236,0.0,0.0,,,,,,,0.0,,,,,,,0.0,0.0
COCCCNC(=O)C1CC(=O)N(c2ccc(C)cc2)C1,CID644881,,,0.0,,,,0.0,,,0.0,,,0.0,,,,0.0
O=C1CCCN1c1cccc(Br)c1,CID899668,,,,,,,,,0.0,,,,,,,,
CCCCN(C)CCCNC(=O)c1cccc(N2CCCC2=O)c1,CID3235889,,,,,0.0,,0.0,0.0,,,,,,,,,
O=C(O)c1ccc(N2CCCC2=O)cc1,CID773130,,,0.0,0.0,,,,,,,,,0.0,,0.0,,
CCOc1ccc(N2CC(C(=O)OC)CC2=O)cc1,CID2967353,,,,,,,0.0,,,0.0,,,0.0,,,,
Cc1ccc(N2CC(C(=O)OCC(=O)C(C)(C)C)CC2=O)cc1,CID650701,,,,,,0.0,0.0,,,,0.0,,,,,,
O=C(O)C1CC(=O)N(c2ccc(F)cc2)C1,CID2912652,,0.0,,0.0,,,,,,,0.0,,,,,0.0,
CC(=O)Nc1cccc(N2CCCC2=O)c1,CID790557,,,,0.0,,,,,,0.0,,0.0,0.0,,,0.0,
Cc1cc(N2CCCC2=O)c(N)cc1N,CID1519134,,,,0.0,,,,0.0,,,,,,,,0.0,
CCNC(=O)C1CC(=O)N(c2ccc(Br)cc2)C1,CID652443,0.0,,,,,,,,0.0,,,,,,,0.0,0.0
CNC(=O)C1CC(=O)N(c2ccc(C)cc2)C1,CID2844369,,0.0,,,,,,0.0,,0.0,,,,,,,
COC(=O)C1CC(=O)N(c2ccc(O)cc2)C1,CID2883518,,,,,,0.0,,,,,,,,,,,
CNC(=O)C1CC(=O)N(c2ccc(F)c(Cl)c2)C1,CID3241612,,,,,,,,,,0.0,,,,,,0.0,
Cc1cc(C)cc(N2CC(C(=O)O)CC2=O)c1,CID2741834,,,,,,,,,,0.0,,0.0,0.0,,,,
CCNC(=O)C1CC(=O)N(c2ccc(OCC)cc2)C1,CID645239,,,0.0,,,0.0,,,,0.0,,,0.0,,,,
Cc1ccc(S(N)(=O)=O)c(C)c1N1CCCC1=O,CID3119448,,,,,,,,,,,,,,0.0,,,
CC1(C)CC(=O)N(c2ccccc2)C1(C)O,CID2907160,,,,,,,0.0,0.0,0.0,,,,,,,0.0,
COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2cccc(F)c2)cc1,CID5309590,,0.0,,,,,,,,,,,,,,,
COC(=O)c1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)cc1,CID5309573,0.0,,,,,,0.0,0.0,,,0.0,,0.0,,,,
Cn1cccc1Cc1nnc(SCC(=O)Nc2ccccc2F)n1-c1ccc(F)cc1,CID5309579,0.0,,,,,,,,,,,,,,,,
CCc1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(OC)cc2)cc1,CID5307790,0.0,,,,,,,,,0.0,,,,,,0.0,
COc1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(C)cc2)cc1OC,CID3236918,0.0,,,,,0.0,,,,,,,,,,0.0,
Cn1cccc1Cc1nnc(SCC(=O)Nc2ccccc2)n1-c1ccc(F)cc1,CID5308200,0.0,,,,,,,,,,0.0,,,,,,0.0
COc1ccccc1NC(=O)CSc1nnc(Cc2cccn2C)n1-c1ccc(F)cc1,CID5309165,0.0,,,,,,,,,,,,,,,0.0,
Cc1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)cc1,CID5308367,0.0,,,,,,,,,,,,,,0.0,,
COc1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)cc1OC,CID5307603,0.0,,,,,,0.0,,,,,,,,,,
Cc1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)c(C)c1,CID5307604,0.0,,,,,,,,,,,,0.0,,,,
Cn1cccc1Cc1nnc(SCC(=O)Nc2ccc(F)cc2)n1-c1ccc(F)cc1,CID5309713,0.0,,,,,,,,,,,,0.0,,,,
COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2cc(C)cc(C)c2)cc1,CID5307621,0.0,,0.0,,,,,,,,,,,,,,0.0
CC(=O)c1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)cc1,CID5309338,0.0,,,,,,,,,,,,,,0.0,0.0,
COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2cc(Cl)ccc2OC)cc1,CID5309004,0.0,,,,,,0.0,,,,,,,,,0.0,
COc1ccc(OC)c(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)c1,CID5307438,,,,,,,,,,,,,0.0,,,,
COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2cccc(Cl)c2)cc1,CID5309900,,,,,,,,,,,,,0.0,,,,
COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2cccc(OC)c2)cc1,CID5307866,0.0,,,,,,,0.0,,0.0,,,0.0,,,0.0,
Cn1cccc1Cc1nnc(SCC(=O)Nc2ccc(F)cc2F)n1-c1ccc(F)cc1,CID5308811,0.0,,,,,,,,,,,,,,,,
COc1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(OC)cc2)cc1,CID5308039,0.0,,,,,,,0.0,,,,,,,,0.0,
COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2ccc(Cl)cc2)cc1,CID5308660,0.0,0.0,,,,,,,,,,,,,,0.0,
COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2cccc(C)c2C)cc1,CID5307104,0.0,,,0.0,,,,,,,,,0.0,,,,
CC(=O)Nc1cccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(C)cc2)c1,CID3245938,0.0,,,0.0,,0.0,,,,,,,,,,0.0,
COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2ccc(C)cc2)cc1,CID5308374,0.0,,,,,,0.0,,,,,,,,,,
COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2ccc(C(C)=O)cc2)cc1,CID5308375,0.0,,,,,0.0,,,,,,0.0,,,,0.0,
COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2ccccc2C)cc1,CID5308227,0.0,,,,,0.0,,,,,,0.0,,,,,
Cn1cccc1Cc1nnc(SCC(=O)Nc2cccc(Cl)c2)n1-c1ccc(F)cc1,CID5309876,,,,,,,0.0,,,,,,,,,,
COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2ccccc2F)cc1,CID5309421,0.0,,0.0,,,,,,,,0.0,,,,0.0,,
COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2ccccc2)cc1,CID5308026,0.0,,,,,,,0.0,,,,,,,,0.0,
COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2ccc(F)cc2)cc1,CID5309740,0.0,,,,,,,,,,,,,,,,
CCOC(=O)c1ccccc1NC(=O)CSc1nnc(Cc2cccn2C)n1-c1ccc(C)cc1,CID3238419,0.0,,,,,,0.0,,,,,0.0,,,,0.0,
COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2ccccc2OC)cc1,CID5309180,0.0,,,,,,0.0,,,,,,,,,,
Cc1cc(C)c(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)c(C)c1,CID3239707,0.0,,,,,,,,,,,,,,,,
COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2ccc(C)c(Cl)c2)cc1,CID5308829,0.0,0.0,0.0,0.0,,,,,,,,,,,,,
COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2cccc(NC(C)=O)c2)cc1,CID3242482,0.0,,,,,,,0.0,,,0.0,,0.0,,,0.0,
COc1ccc(Cl)cc1NC(=O)CSc1nnc(Cc2cccn2C)n1-c1ccc(F)cc1,CID5308984,0.0,0.0,0.0,0.0,,,,,,,,,,0.0,,,
COc1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)cc1,CID5308019,0.0,0.0,,,,,,,,,,,0.0,,,0.0,
CCOC(=O)c1ccccc1NC(=O)CSc1nnc(Cc2cccn2C)n1-c1ccc(F)cc1,CID3238937,0.0,,,,,0.0,,,,,0.0,,,,,,
CC(=O)Nc1cccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)c1,CID3236178,0.0,,0.0,,,,,,,,,,,,,0.0,
CCOc1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)cc1,CID5308194,0.0,,,,,,,,,,,,,,,,
Cc1ccccc1NC(=O)CSc1nnc(Cc2cccn2C)n1-c1ccc(F)cc1,CID5308193,0.0,,,0.0,,,,,,,,,,,,,
Cc1cc(C)cc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)c1,CID5307771,0.0,,,,,,,,,,,,0.0,,,,
COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2ccc(F)cc2F)cc1,CID5308651,0.0,,,,,,,,,,,,,,,,
Cn1cccc1Cc1nnc(SCC(=O)Nc2cccc(F)c2)n1-c1ccc(F)cc1,CID5309730,0.0,,0.0,,,,,,,,,,0.0,,,,
CCOc1ccccc1NC(=O)CSc1nnc(Cc2cccn2C)n1-c1ccc(F)cc1,CID5308008,0.0,,,,,,,,,,,,,,,0.0,
COc1cccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)c1,CID5307846,,,,,,,0.0,,,,0.0,,,,,,
Cn1cccc1Cc1nnc(SCC(=O)Nc2ccc(Cl)cc2)n1-c1ccc(F)cc1,CID5308639,0.0,0.0,,,,,,,,,,,,,,,
CCc1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)cc1,CID5309409,0.0,,0.0,,,,,,,,,,,,,,
CCOc1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(OC)cc2)cc1,CID3239850,0.0,0.0,,,,,,,,,,,0.0,,0.0,0.0,0.0
COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2ccc(C)cc2C)cc1,CID5307444,0.0,0.0,0.0,,,,,,,,,,,,,,
Cc1ccc(C)c(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)c1,CID5307443,0.0,,0.0,,,,,,,0.0,,,,,,,
C/C(=C\C#N)n1nc(C)cc1N,CID854933,,,,0.0,,0.0,,,,,,0.0,,,,,
CCC(=O)Nc1c(C)nn(C(=O)CC)c1C,CID573814,,,0.0,,,,,0.0,0.0,,,0.0,0.0,,,,
Cc1nn(CC(=O)O)c(C)c1[N+](=O)[O-],CID722518,,,,,,,,,,,,,,,0.0,,
Cc1nn(C)c(C)c1CN(C)C(=O)CCCC(=O)O,CID4061705,,,,,,,,,,0.0,,,,,,,
Cc1nn(C)c(C)c1C(=O)NN,CID1472343,,,,,,,,,,,,0.0,,,,,
COC(=O)CNC(=O)Cn1nc(C)c([N+](=O)[O-])c1C,CID2077906,,,,,,,,,,,,,,,0.0,,
Cc1nn(C)cc1C(N)=O,CID665356,,,,0.0,,,,,,,,0.0,,,0.0,,
CCOC(=O)Cn1nc(C(F)F)c(Br)c1C,CID3460028,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1cnn(CCOC(=O)C(C)(C)C)c1NC(=O)C(C)(C)C,CID3244478,,,,,,0.0,,,,,,,0.0,,,,
CN(C)/C=N/c1[nH]ncc1C#N,CID3575104,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1cn[nH]c1N,CID81472,,,,0.0,,,,,0.0,,,0.0,,,,0.0,
CCn1ncc(/C=N/O)c1C,CID939943,,,,,,,,,,0.0,0.0,,,,,,
CCCCNC(=S)NNC(=O)CCn1cc(C)cn1,CID4163821,,,,,,,,,,,,,,,0.0,,
Cc1nn(CC(=O)O)c(C)c1C,CID651055,,,,0.0,,,,0.0,,,,,,,,,
COCCNC(=O)Cn1nc(C(F)(F)F)c(Br)c1C,CID1877143,0.0,,,,,,,,,,,,,,,,
COCCNC(=O)Cn1nc(C(F)(F)F)cc1C,CID2257667,,,,,,,,,0.0,,,0.0,,,,,
CC(=O)c1c(C)nn(CCC(=O)O)c1C,CID653648,,,,,,,,0.0,,,,0.0,,,0.0,,0.0
COC(=O)c1cn[nH]c1N,CID272904,,,,0.0,,,,0.0,,,,,,,,,
Cc1nn(C(CC(=O)O)C(=O)O)c(C)c1Br,CID2827025,,,,,,,,,0.0,,,,,,,,
COCCNC(=O)Cn1nc(C(F)(F)F)c(Cl)c1C,CID645072,,,,,,,,,0.0,,,,,,,,
Cc1cc(C(F)(F)F)nn1CC(=O)NNC(=S)NCC(C)C,CID4765761,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)n(C(CC(=O)O)C(=O)O)n1,CID2791626,,0.0,0.0,,,,,0.0,,,,,,,,,
Cc1[nH]nc(SCC(=O)NCC(C)C)c1[N+](=O)[O-],CID4080124,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)n(CC(=O)O)n1,CID572875,,0.0,,,,,,,,,,,,,,,
CNC(=S)NNC(=O)Cn1ccc(C)n1,CID1231820,,,,,,,,,,,,0.0,,,,,
C=CC(O)Cc1c(C)n[nH]c1C,CID657555,,,0.0,,,,,0.0,,,,,,,,,
CC(=O)c1c(C)nn(C(C)CC(=O)O)c1C,CID2984081,,,,,,,,0.0,,,,,,,,,
CNCCCc1[nH]nc(N)c1C#N,CID2113258,,,,,,,,,,,,,,,,0.0,
CCCCNC(=O)Nc1cnn(CC)c1C(N)=O,CID661464,,,,0.0,,,,,,,,,,,,,
Cc1nn(CC(=O)O)c(C)c1Cl,CID919266,,,,,,,,,,,,0.0,,0.0,,,
Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)NCC(C)C,CID702237,,,,,,,,,,,,,,,0.0,,
Cc1ccn(CCSCC(=O)O)n1,CID655803,,0.0,0.0,,,,,,,,,,0.0,,,,
CCOC(=O)Cn1cc([N+](=O)[O-])c(OC)n1,CID1223011,,,,,,,,,,,,,,,0.0,,
Cc1nn(CCC(=O)NNC(=S)NCC(C)C)c(C)c1Br,CID1767917,,,,,,,,,,,,0.0,,,,,
CCC(=O)Nc1c(C)n[nH]c1C,CID745362,,,,,,,,,,,,,,,0.0,,
CCCCNC(=S)NNC(=O)c1nn(C)c(C)c1Cl,CID1766431,,,,,,,,,,,0.0,,,,,,
C/C(=N\NC(=O)c1cc(C)[nH]n1)C(C)(C)C,CID833270,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1nn(C)c(C)c1Cl,CID1229863,,,,,,,,,,,,,,0.0,,,
Cc1nn(C)cc1/C=N/O,CID659640,,,,,,,,,,,,,0.0,,,,
Cc1nn(C)cc1CNC(=O)CCC(=O)O,CID841483,,0.0,,,,,,,,,,,,,,,
CCC(C)NC(=O)Cn1nc([N+](=O)[O-])c(Cl)c1C,CID3099435,,,,,,,,,,,,0.0,,,,,
CCCCNC(=O)c1cc([N+](=O)[O-])n[nH]1,CID1731473,,,,,,,,,,,,,,,0.0,,
Cn1ncc(Br)c1C(=O)O,CID673686,,,,,,,,,,,,,,,0.0,,
CC(C)n1ncc(C(N)=O)c1N,CID1263609,,,,,,,,,,0.0,,0.0,,,,0.0,
O=C(O)CSCCn1cccn1,CID650467,0.0,,0.0,,,,,,,,,,,,,,
CCCC(=O)Nc1c(C)n[nH]c1C,CID740336,,,,,,,,,,,,0.0,,,,,
CCCn1ncc(C(=O)O)c1C,CID646418,,,0.0,,,,,,,,,0.0,,0.0,,,
CCCC(=O)Nc1c(C)nn(C(=O)CCC)c1C,CID745532,,,,,,,,,,0.0,,,,,,,
Cc1nn(C(C)CC(=O)O)c(C)c1C,CID3160220,,,,,,,,,,0.0,0.0,,,,,,
CCCC(=O)NCc1cc(-c2nn(C)c(=O)c3ccccc23)ccc1C,CID752688,,,,,,0.0,,,0.0,0.0,,0.0,,,,,
CCOC(=O)Cn1nc(-c2ccc(C)cc2)c2ccccc2c1=O,CID723947,,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CNS(C)(=O)=O,CID1295754,,0.0,,0.0,,,,,0.0,,0.0,,,,,0.0,0.0
CCOC(=O)Cn1nc(-c2ccccc2)c2ccccc2c1=O,CID697435,,,,,,,,,,,,,,0.0,,,
CCOC(=O)CNS(=O)(=O)c1cc(-c2n[nH]c(=O)c3ccccc23)ccc1C,CID660518,,,,,0.0,,,,0.0,,,,,0.0,,,
CNC(=O)CCn1nc(-c2ccccc2)c2ccccc2c1=O,CID662036,,,0.0,,0.0,,,0.0,0.0,,,,,,,,
Cc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1S(=O)(=O)NCCO,CID1984462,,,,0.0,,,,0.0,0.0,,,,,,,1.0,
CCC(CO)Nc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1[N+](=O)[O-],CID3154337,,,,,,,,,,,,,,0.0,,,
NC(=O)CCn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O,CID2196909,0.0,,,,,,0.0,,,0.0,,,,,0.0,0.0,0.0
COC(=O)c1ccc(-c2nn(C)c(=O)c3ccccc23)cc1,CID943623,,,0.0,,,,0.0,0.0,,0.0,0.0,,,0.0,0.0,,
O=C(O)Cn1nc(-c2ccccc2)c2ccccc2c1=O,CID819382,,,,0.0,,,,,,,,,0.0,0.0,0.0,,
CCC(=O)Nc1cc(-c2nn(C)c(=O)c3ccccc23)ccc1OC,CID751867,,,0.0,,0.0,,,,,,,,0.0,,,,
Cc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1S(=O)(=O)N(C)CCO,CID1073222,,,,,,,,,0.0,,,,,,,,
CCOC(=O)c1ccc(-c2n[nH]c(=O)c3ccccc23)cc1,CID762086,,,0.0,,0.0,,,,,0.0,0.0,,,0.0,0.0,,0.0
CCCC(=O)Nc1cc(-c2nn(C)c(=O)c3ccccc23)ccc1OC,CID662701,,,0.0,,0.0,0.0,,,0.0,,,0.0,,,,,
COC(=O)COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1,CID943455,0.0,,,0.0,,,,0.0,,,,0.0,,0.0,,,
CCOC(=O)NCc1cc(-c2nn(C)c(=O)c3ccccc23)ccc1C,CID1890699,,,0.0,,0.0,,0.0,0.0,0.0,,,0.0,,,,,
CCNC(=O)CCn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O,CID662113,,0.0,,,,0.0,,,,0.0,0.0,,0.0,,,,
Cn1nc(-c2ccc(OCC(N)=O)cc2)c2ccccc2c1=O,CID941822,,,,,,0.0,,,0.0,,,0.0,,,,,
CCOC(=O)CNS(=O)(=O)c1cc(-c2nn(C)c(=O)c3ccccc23)ccc1C,CID661612,,,,0.0,,0.0,0.0,,0.0,0.0,,,,,,,0.0
CCN(CC)CCNC(=O)Cn1nc(-c2ccccc2)c2ccccc2c1=O,CID2288388,,0.0,0.0,,,,,0.0,0.0,,0.0,,,,0.0,,0.0
Nc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1N,CID677574,,,,,,,,0.0,,,,0.0,,,,0.0,
CCC(CO)NC(=O)c1ccc(-c2nn(C)c(=O)c3ccccc23)cc1,CID3155240,,,,,,0.0,,,,,0.0,0.0,,,,,
CNC(=O)COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1,CID941357,,,,,,,,,0.0,,,,,,,,
CCN(CC)S(=O)(=O)c1cc(-c2nn(C)c(=O)c3ccccc23)ccc1C,CID1979983,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CNS(C)(=O)=O,CID1085031,0.0,0.0,,,,,,,0.0,,,,,,,0.0,
CCOC(=O)CCn1nc(-c2ccc(C)cc2)c2ccccc2c1=O,CID895376,,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2nn(CC(=O)N(C)C)c(=O)c3ccccc23)cc1,CID880303,,,0.0,,0.0,,,,0.0,,,0.0,,0.0,,,
COC(=O)Cn1nc(-c2ccccc2)c2ccccc2c1=O,CID745851,,,,,,,0.0,,,,,,0.0,0.0,0.0,,
CN(C)C(=O)Cn1nc(-c2ccccc2)c2ccccc2c1=O,CID745853,,0.0,0.0,,,,,0.0,0.0,,,,0.0,0.0,0.0,,
Cc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1S(=O)(=O)NCCO,CID1634592,,,,,,,,,0.0,,,,,,,,
CN(C)C(=O)c1ccc(-c2n[nH]c(=O)c3ccccc23)cc1,CID738018,,,,,,,,,,,,,,,0.0,,
Cc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1N,CID662720,,,,0.0,,,0.0,0.0,,,,,,,,0.0,
NC(=O)CCn1nc(-c2ccccc2)c2ccccc2c1=O,CID646241,,0.0,,,,0.0,,,,,,,0.0,,,,
COC(=O)Cn1nc(-c2ccc(C)cc2)c2ccccc2c1=O,CID714737,,,,,,,,,,,,,,0.0,,,
CC(O)CNC(=O)c1ccc(-c2nn(C)c(=O)c3ccccc23)cc1,CID3155241,,,,,,,,,,0.0,,,,,,,
COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1NS(C)(=O)=O,CID661484,,,0.0,,,,0.0,0.0,,,0.0,,,,,,0.0
CC(=O)OCc1cc(-c2nn(C)c(=O)c3ccccc23)ccc1C,CID752669,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CO,CID752667,,,0.0,,0.0,,,0.0,,,,,0.0,,,,
Cc1ccc(-c2nn(CC(=O)O)c(=O)c3ccccc23)cc1,CID801726,,,,,,,0.0,,,,0.0,,,0.0,,0.0,
COC(=O)CCn1nc(-c2ccc(C)cc2)c2ccccc2c1=O,CID945245,,,,,,,,,,,,,,,0.0,,
CC(=O)NCc1cc(-c2nn(C)c(=O)c3ccccc23)ccc1C,CID752685,,,,,,,,,0.0,,,,,,0.0,,
CNC(=O)CCn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O,CID752684,0.0,,0.0,0.0,,,0.0,,,,,,,,,0.0,
CCC(=O)NCc1cc(-c2nn(C)c(=O)c3ccccc23)ccc1C,CID752687,,,,,,,,,0.0,,0.0,0.0,,,,,
CNC(=O)Cn1nc(-c2ccc(C)c(S(=O)(=O)N(C)C)c2)c2ccccc2c1=O,CID1146885,,,,,,,,,0.0,,0.0,,,,,,
COC(=O)Cn1nc(-c2ccc(C)c(S(=O)(=O)N(C)C)c2)c2ccccc2c1=O,CID1146881,,,,,,,,,,,,,0.0,,,,
COC(=O)c1ccc(-c2n[nH]c(=O)c3ccccc23)cc1,CID647707,,,0.0,,,,,,,,,,,,0.0,,
COCCNS(=O)(=O)c1cc(-c2nn(C)c(=O)c3ccccc23)ccc1C,CID644993,,0.0,,,,,,,0.0,,0.0,,,,0.0,0.0,0.0
CC(=O)Nc1nc(C)c(S(N)(=O)=O)s1,CID3244062,,,,,,,0.0,,,,,0.0,0.0,0.0,,,
CCOC(=O)Cc1csc(NC(NC(=O)OCC)(C(=O)OCC)C(F)(F)F)n1,CID389146,,,,,,,,,,,,0.0,,,,,
CCCCC(=O)Nc1nc(C)c(C(C)=O)s1,CID4457143,,,,,0.0,0.0,,,,,,,0.0,,,,
CCS(=O)(=O)NCCc1csc(C)n1,CID3241103,,,,0.0,,0.0,,,,,,,,,,,
CC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1nc(C)cs1,CID3238677,,0.0,,,,,,,,0.0,0.0,,,,,,
CCOC(=O)Cc1csc(NC(=O)C(C)(C)C)n1,CID732359,,0.0,,0.0,0.0,,0.0,0.0,0.0,,,,0.0,,,,
CCOC(=O)Cc1csc(NC(=O)CC)n1,CID732358,,0.0,,,0.0,,0.0,0.0,,,0.0,,,,,,
CC(=O)c1sc(NC(=O)C=C(C)C)nc1C,CID733793,,,,0.0,0.0,,0.0,,,,,,0.0,,,,
O=C(CSCCO)Nc1nccs1,CID652098,,,,,,,,,,0.0,,,,,,,
CNc1nc(C)c(C(=O)OCC(=O)OC)s1,CID2901644,,,0.0,0.0,,,,0.0,,,,,0.0,,,,
CCCCC(CC)C(=O)Nc1ncc([N+](=O)[O-])s1,CID3136329,,,,,,,,,,,,,,,0.0,,
CC(C)(C)OC(=O)C(C)(C)O/N=C(\C(=O)O)c1csc(N)n1,CID2733707,,,,,,,,,,,,,,0.0,,,
CNc1ncc(C(=O)C(C)(C)C)s1,CID1485904,,,,,,,,,,0.0,,,,,0.0,,
CCC(NC(=O)Nc1nccs1)(C(F)(F)F)C(F)(F)F,CID659736,,,,,,,,,0.0,,,,,,,,
CCOC(=O)Cc1csc(NS(C)(=O)=O)n1,CID3145078,,,,,,,,,,0.0,,,,,,,
CCC(C(=O)Nc1nccs1)(C(F)(F)F)C(F)(F)F,CID658974,,,,,,,,,0.0,,,,,,,,
Cc1csc(SCC(=O)O)n1,CID645306,,,,,,0.0,0.0,,,,,,0.0,,,,
CCCCC(=O)Nc1ncc(Br)s1,CID2225496,,,,,,,,,0.0,,,,,0.0,,0.0,
CC(C)(C)c1csc(N(CCC#N)CCC#N)n1,CID3244892,,,,,,,,,,,0.0,,,,,,
COC(=O)Nc1nc(C)c(C(=O)N(C)C)s1,CID3236752,,0.0,,0.0,,,,,,,,,,0.0,,,
CCCCOC(=O)Nc1nccs1,CID1562703,,,,,0.0,,,,,,,,0.0,,0.0,,
CCCCOC(=O)Nc1nc(CC(=O)OCC)cs1,CID1562700,,,,0.0,,,0.0,,,0.0,,,,,,,
CC(NC(=O)Nc1nccs1)(C(F)(F)F)C(F)(F)F,CID659926,,,,,,,,,0.0,,,,,,,,
CCCC(=O)Nc1nc(C(=O)OCC)cs1,CID2326262,,,,0.0,0.0,,0.0,,0.0,,,,,,,,
CCOC(=O)c1sc(NC(=O)CCSC)nc1C,CID2245402,,,,,,0.0,0.0,,,,,,0.0,,,,
CO/N=C(\C(=O)O)c1csc(NN=C(C)C)n1,CID596879,,,,,,,,,,,,,,,0.0,,
CC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1nccs1,CID3237225,,,,,,,,,,0.0,,,,,0.0,,
CNc1nc(N)c(C(=O)C(C)(C)C)s1,CID973710,,,,0.0,,,0.0,,,,,,,,,,
CCOC(=O)c1csc(NC(=O)C(C)(C)C)n1,CID4067264,,,0.0,,0.0,,,0.0,,,,,,,,,
CCCCOC(=O)Nc1nc(C)c(C(=O)OCC)s1,CID1562711,,,0.0,,,,0.0,,,,,,,,,,
Cc1nc(Cl)sc1C(=O)O,CID666960,,,,,,,0.0,,,,,,,,,,
CCOC(=O)CSc1nc(C)c(C(=O)OCC)s1,CID2148129,,,0.0,,0.0,,0.0,,,0.0,,,,,,,
CCOC(=O)C(CC)(CCC(=O)O)c1csc(N)n1,CID2900629,,,,,,,,,,,,,0.0,,,,
CCOC(=O)Nc1nc(C)c(C(=O)N(C)C)s1,CID898551,,,,,,,,,,,0.0,,,,,,
Cc1nc(NC(=O)CCC(=O)O)sc1C(=O)N(C)C,CID3242285,,,,,,,,,,,,,0.0,,,,
O=C(Nc1nccs1)NC(C(F)(F)F)C(F)(F)F,CID659677,,,,,,,,,0.0,,,,,,,,
CCS(=O)(=O)NCc1csc(C)n1,CID3237999,,,,,,,,,0.0,,,,0.0,,,,
CCOC(=O)Cc1csc(NC(=S)NC(=O)C(C)(C)C)n1,CID802671,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C(NC(=O)OC(C)C)(Nc1nccs1)C(F)(F)F,CID658005,0.0,,,,0.0,,,0.0,0.0,0.0,,,,,,,0.0
CCCC(CCC(=O)OC)(C(=O)OCC)c1csc(N)n1,CID653182,,,,,,,0.0,,,,,,,,,,
CCOC(=O)Cc1csc(NC(NC(=O)CC)(C(F)(F)F)C(F)(F)F)n1,CID1381557,,,,,,,,,0.0,,,,,,,,
CCOC(=O)c1sc(N(C)C(C)=O)nc1C,CID886209,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1nc(N)sc1C(=O)OCC,CID226556,,,,,,,,,,,,0.0,,,,,
CCOC(=O)Cc1csc(NC(=O)C(C)(C)CC)n1,CID787338,,,,,,,,,,,,,,,0.0,,
COC(=O)C(Nc1nccs1)(OC)C(F)(F)F,CID3237066,,,,,,,,0.0,,,,,,,,,0.0
O=C(CCCC(=O)OCC(F)(F)C(F)F)Nc1nccs1,CID2854294,,,,,,,,,0.0,,,,,,,,0.0
CCCCC(CCC(=O)O)(C(=O)OCC)c1csc(N)n1,CID2865030,,,,,,,0.0,0.0,,0.0,0.0,,0.0,,,,
CCOCC(=O)Nc1ccc2c(c1)OCCO2,CID653743,,,0.0,0.0,,,,,,,,,,,,0.0,0.0
O=C(O)CCOc1ccc2c(c1)OCCO2,CID651475,,,,,,,,,,,,,,,,0.0,
O=C(O)CCSCC(=O)c1ccc2c(c1)OCCO2,CID659663,,,,0.0,,,,0.0,0.0,,,,0.0,0.0,,,
COCCCNS(=O)(=O)c1ccc2c(c1)OCCO2,CID2890764,,,0.0,,,,,,0.0,,,,,,,0.0,
CC(=O)Oc1ccc(C(C)=O)c2c1OCCO2,CID601524,,,,,,,,,0.0,,,,,,,,
CCC(=O)c1cc2c(cc1NC(=O)C(C)C)OCCO2,CID648671,,0.0,,,,0.0,,,,,,,0.0,,,0.0,0.0
COC(=O)C(NC(=O)Nc1ccc2c(c1)OCCO2)C(C)C,CID664597,,,,,0.0,0.0,,0.0,,,0.0,,,,,,
O=C(CCCO)c1ccc2c(c1)OCCO2,CID2856618,,,,,,0.0,,,,,,,,,,,
CC(=O)Nc1cc2c(cc1Br)OCCO2,CID657866,,,,,,,,,,,,0.0,,0.0,,,0.0
CCCC(C)C(=O)Nc1ccc2c(c1)OCCO2,CID2947028,,,,,,,,,,,,,,,,0.0,
CCC(C)C(NC(=O)Nc1ccc2c(c1)OCCO2)C(=O)O,CID663977,,,,,,,,,,,,,0.0,,,,
O=C(O)CNC(=O)c1ccc2c(c1)OCCO2,CID646722,,,,,,,,0.0,,,,,,,,,
C/C(N)=C(/C#N)C(=O)CSc1ccc2c(c1)OCCO2,CID5742497,,,,,,,1.0,,,,,,,,0.0,0.0,
CCOCCCNS(=O)(=O)c1ccc2c(c1)OCCO2,CID650843,,,0.0,,,,,0.0,0.0,,,,,,,,
COCCNC(=O)NC(=O)COC(=O)Cc1ccc2c(c1)OCCO2,CID2568995,,,,,0.0,,,0.0,,,,,,,,,
CC(CC(=O)O)NCC1COc2ccccc2O1,CID2998275,,,,,0.0,,,,,,,,0.0,,,,0.0
CCC(=O)Nc1cc2c(cc1C(C)=O)OCCO2,CID2925814,,,,,,,,,,,,0.0,,,,0.0,
CCCCCN(C(=O)NC(=O)OCC1COc2ccccc2O1)S(C)(=O)=O,CID2999007,,,,0.0,0.0,,,0.0,,,,,,,,,
O=C(O)CCCCCNC(=O)Nc1ccc2c(c1)OCCO2,CID4360734,,,,,,,,,,,0.0,,,,,,
O=C(O)CCNc1ccc2c(c1)OCCO2,CID650034,,,,,,,,0.0,,,,,,,0.0,0.0,
CCOC(=O)Nc1cc(Br)c2c(c1)OCCO2,CID3244594,0.0,,,,,,0.0,,0.0,,,,,,0.0,,0.0
COCCNC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)OCCO2,CID649997,,,,,,,0.0,0.0,,0.0,,,,,,,0.0
CC(=O)Nc1cc2c(cc1C(=O)C(C)C)OCCO2,CID2967430,,0.0,,,,,,,,0.0,,0.0,0.0,,,,
CC(=O)Nc1cccc2c1OCCO2,CID658593,,,,,,,,0.0,,,,,,,,0.0,
CCCCC(=O)Nc1ccc2c(c1)OCCO2,CID2789424,,,,,,,,,0.0,,,,,,,0.0,
CCOC(=O)CNC(=O)c1ccc2c(c1)OCCO2,CID653070,,,,,,0.0,,,,0.0,,,0.0,,,,
CC(C)(C)c1ccc2c(c1)OCC(C(=O)O)O2,CID650389,,,,,,,,0.0,0.0,,,,0.0,0.0,,0.0,
O=C(O)COc1ccc2c(c1)OCCO2,CID3132402,,,0.0,,,,,,,,,,0.0,,,,
CCCCN(C(=O)NC(=O)OCC1COc2ccccc2O1)S(C)(=O)=O,CID2998551,,,,0.0,0.0,,,,,,,,,,,0.0,
O=C(O)CNC(=O)C1COc2ccccc2O1,CID2946726,,,,,,,,0.0,,,,,,,,0.0,
COc1cc(/C=C/C(=O)O)cc2c1OCCO2,CID6235472,,,,,,,,,,,,,,,0.0,,
NC(=O)c1ccc2c(c1)OCCO2,CID659279,,,,,0.0,,,0.0,,,,,0.0,,,0.0,
COC(=O)CCNc1ccc2c(c1)OCCO2,CID646626,,,,,,0.0,,0.0,,,,,,,,,0.0
CC(=O)Nc1cc2c(cc1C(C)=O)OCCO2,CID652324,,0.0,,0.0,,,0.0,0.0,,0.0,0.0,,0.0,,,0.0,
CC(NC(=O)c1ccc2c(c1)OCCO2)C(=O)O,CID653362,,,,0.0,,,,,,0.0,,,,,,,
CC(C)OCCCNS(=O)(=O)c1ccc2c(c1)OCCO2,CID2956859,,,,,,,,,0.0,,,,,,,,
O=C(O)CCC(=O)c1ccc2c(c1)OCCO2,CID2758835,,,,,,0.0,,,,,,,,0.0,,,
O=C(O)c1ccc2c(c1)OCCO2,CID2758833,,,,,,,,,,,,,,0.0,,,
CC(C)NC(=O)/C(C#N)=C/c1ccc2c(c1)OCCO2,CID2688837,,,,,,,,,,,,,,0.0,,,
CC(C)C(NC(=O)Nc1ccc2c(c1)OCCO2)C(=O)O,CID663801,,,0.0,,,,0.0,,,,,,,,,,
CCCNC(=O)NC(=O)CSc1ccc2c(c1)OCCO2,CID7457897,,,,,,,,,,,0.0,,,,,,
O=C(O)CCC1COc2ccccc2O1,CID267548,,,,,,,,0.0,,,0.0,,,0.0,,,
COC(=O)C(CC(C)C)NC(=O)Nc1ccc2c(c1)OCCO2,CID663509,0.0,,,,,,,0.0,,,,0.0,,,,,
CCC(=O)Nc1cc2c(cc1C(=O)CC)OCCO2,CID601428,,,0.0,,,,0.0,,,,,,,0.0,,,
CC(NC(=O)Nc1ccc2c(c1)OCCO2)C(=O)O,CID5389746,,,,,,,,0.0,,0.0,,,,,,,
CC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1ccc2c(c1)OCCO2,CID3240628,,,0.0,,,,,,,,,,,,,,
CC(=O)N/N=C(\C)c1ccc2c(c1)OCCO2,CID4150079,,,,,,,,,,,,,,0.0,,,
CCC(CC)C(=O)Nc1cccc(C(=O)Nc2nccs2)c1,CID977043,,,,,,0.0,,,,,0.0,,,,,,
CCOC(=O)Cc1csc(NC(=O)c2cccc(OC)c2)n1,CID814167,,,,0.0,,,,,,,,,0.0,,,,
CCOC(=O)CNC(=O)c1sc(NC(=O)c2ccccc2F)nc1C,CID655688,,0.0,,,,0.0,,0.0,,0.0,,,,0.0,,0.0,
CCOC(=O)Cc1csc(NC(=O)c2ccc(NC(C)=O)cc2)n1,CID787302,,,,,,,,,0.0,,,,,0.0,,,
COc1ccc(C(=O)Nc2nccs2)cc1OC,CID721807,,,0.0,0.0,0.0,,0.0,0.0,,,,,,,,,
COc1ccc(C(=O)Nc2nc(C)c(C(=O)N(C)C)s2)cc1OC,CID897375,0.0,0.0,,0.0,,,,0.0,0.0,,,,,,,0.0,0.0
O=C(Cc1csc(NC(=O)c2ccc(F)cc2)n1)NO,CID7161212,,,,,,,,,,,,,,,0.0,,
CSc1ccccc1C(=O)Nc1ncc(C)s1,CID2673038,,,,,,0.0,,,,0.0,,,,,,,
CCOC(=O)c1csc(NC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)n1,CID2335480,,,0.0,,0.0,,,,,0.0,,,,,,,
CCOC(=O)c1csc(NC(=O)c2ccccc2)n1,CID4067950,,,,,,,,0.0,,,,,,,,,0.0
Cc1ccc(C(=O)O)c(C(=O)Nc2nc(C)cs2)c1,CID645848,,,,,,,0.0,,,,,0.0,,,,,0.0
COc1cc(SC)ccc1C(=O)Nc1nc(C)cs1,CID2542040,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1sc(NC(=O)c2ccccc2OC)nc1C,CID3429885,,,,,,,,,,0.0,,,,,,,
COc1cc(C(=O)Nc2nccs2)c(Br)c(OC)c1OC,CID1120126,0.0,,,,,,,,0.0,,0.0,,,0.0,,0.0,0.0
CCOC(=O)CNC(=O)c1sc(NC(=O)c2ccccc2)nc1C,CID3193162,,,,,,,,,0.0,0.0,,,,,,,
Cc1csc(NC(=O)c2ccccc2C(=O)O)n1,CID653107,,,,,,,,0.0,,,,0.0,,,,,
COC(=O)c1sc(NC(=O)c2ccc(OC)cc2OC)nc1C,CID898510,,,,0.0,,,,0.0,,,,0.0,,,,,
CC(=O)c1sc(NC(=O)c2ccc(C)cc2)nc1C,CID733899,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1csc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n1,CID2323174,,,,,0.0,,0.0,,,0.0,0.0,,,,,,
COc1ccc(C(=O)Nc2nc(C)c(C)s2)cc1OC,CID737692,,,,,,0.0,,,,,,0.0,,,,,
COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nc(C)c(C(C)=O)s2)cc1,CID3242349,,,,,0.0,,,,,,,,0.0,,,,
CSc1ccccc1C(=O)Nc1nccs1,CID2115773,,,,,,,,,,0.0,,,,0.0,,,
COc1cc(C(=O)Nc2nccs2)cc(OC)c1OC,CID606801,,0.0,,,0.0,,,0.0,,,,,,,0.0,,
CCCC(=O)Nc1cccc(C(=O)Nc2nccs2)c1,CID882378,,0.0,,,0.0,,0.0,,,,0.0,,0.0,,,0.0,
CC(=O)c1sc(NC(=O)c2ccccc2F)nc1C,CID959101,,0.0,,,,,0.0,,,,,0.0,,,,,
CCOC(=O)c1sc(NC(=O)c2c(OC)cccc2OC)nc1C,CID1120133,,,,,,,,,,,0.0,0.0,,,0.0,,
COCCSc1ccccc1C(=O)Nc1nccs1,CID1803129,,0.0,0.0,,0.0,,,,0.0,0.0,,,,,0.0,,
CCOC(=O)Cc1csc(NC(=O)c2cc(OC)cc(OC)c2)n1,CID1154186,,,,,,,,,0.0,,,,,,,,
COc1cccc(C(=O)Nc2nc(C)cs2)c1,CID2679292,,,,,,0.0,,,,0.0,,,,,,,
CCOc1ccccc1C(=O)Nc1nccs1,CID652520,,0.0,,,0.0,,,0.0,,,,0.0,,,,,0.0
CC(=O)Oc1ccc(C(=O)Nc2nccs2)cc1,CID791564,,,,0.0,,,0.0,,,0.0,,,0.0,,,,
O=C(Nc1nccs1)c1ccccc1,CID569547,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1csc(NC(=O)c2cc(OC)c(OC)c(OC)c2)n1,CID1359240,,,,,,0.0,0.0,,,,,,,,,0.0,
Cc1csc(NC(=O)c2cccc(C)c2C)n1,CID2464226,,,,,,0.0,,,,,,,,,,,
COc1cc(SC)ccc1C(=O)Nc1ncc(C)s1,CID2558548,,,,,,,,,,,,,,0.0,,,
CC(C)C(=O)Nc1cccc(C(=O)Nc2nccs2)c1,CID653161,,0.0,,0.0,0.0,,,,,0.0,0.0,0.0,,0.0,,,
CCOC(=O)Cc1cnc(NC(=O)c2ccccc2)s1,CID730870,,,,,,0.0,,,,0.0,,0.0,,,,,0.0
COc1cc(SC)ccc1C(=O)Nc1nccs1,CID669871,,,,,,,,,,,,,,0.0,0.0,,
CCOC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)nc1C,CID2565451,,,,,,,,,,0.0,0.0,,,,,,
O=C(Nc1nccs1)c1cc(Cl)ccc1[N+](=O)[O-],CID2666609,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1csc(NC(=O)c2ccc(OC)c(OC)c2)n1,CID2327631,,,,0.0,,,,,,,,,,0.0,,0.0,
O=C(O)c1ccccc1C(=O)Nc1nccs1,CID315800,,,,,,,,,,,,0.0,,,,,
C=CCOC(=O)c1sc(NC(=O)c2ccc(OC)cc2)nc1C,CID2138172,,,,,,,,,,,,,,,0.0,,
Cc1csc(NC(=O)c2ccccc2O)n1,CID659766,,0.0,,0.0,0.0,,0.0,,,,,,,,,,
CCCCC(=O)Nc1ccc(C(=O)Nc2nc(CC(=O)OCC)cs2)cc1,CID2206908,,,,,,,,,0.0,,,,,,,,
CCCC(=O)Nc1ccc(C(=O)Nc2nc(CC(=O)OCC)cs2)cc1,CID2202531,,,,,,,,,0.0,,0.0,,,,,,
Cc1ccc(C(=O)Nc2nccs2)cc1,CID576955,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1ccc(Nc2ccc([N+](=O)[O-])cn2)cc1,CID2842439,,,,,,,,,,,,,,0.0,,,
O=[N+]([O-])c1ccc(Nc2ccc(Cl)cc2)nc1,CID2842437,,,,,,,,,,,,,,,0.0,,
COc1ccc(Nc2nc(C)cc(C)c2C(N)=O)cc1,CID750734,,,,,,,,,,,0.0,,,,0.0,,
COc1ccc(Nc2nc(C)cc(C)c2C(N)=O)c(OC)c1,CID751349,0.0,0.0,,0.0,,,,,,,,0.0,,,,0.0,
CC(=O)N(c1ccccc1)c1nc(C)cc(C)c1C#N,CID740890,,,,,,,,,,,,,,0.0,0.0,,
CCOc1ccc(N(C(C)=O)c2nc(C)cc(C)c2C#N)cc1,CID740895,,,,,,,,,0.0,,,,,,0.0,,
Cc1cc(C)c(C(N)=O)c(Nc2cccc(Cl)c2C)n1,CID698494,,,0.0,,,,0.0,,,,,,,,,0.0,0.0
Cc1ccc(Nc2ncccc2C(=O)O)cc1C,CID20415,,,,0.0,,,,,,0.0,,,,,,,
CCCCOc1ccc(Nc2nc(C)cc(C)c2C#N)cc1,CID3121094,,,,,,,,,,,,0.0,,0.0,,,
CCOc1ccc(Nc2nc(C)cc(C)c2C#N)cc1,CID2193437,,,,,,,,,,,,,,,0.0,0.0,
COc1ccc(Nc2nccc(OC)c2C#N)cc1,CID1475657,,,,,,,,,,,,0.0,,,,,
Cc1cc(C)c(C#N)c(Nc2ccccc2)n1,CID750145,,,,,,,,,,,,0.0,,,0.0,,
Cc1cccc(Nc2ncccc2C(=O)O)c1C,CID71827,,0.0,,,,,,0.0,,,0.0,,,,,,
O=[N+]([O-])c1ccc(Nc2ccccc2F)nc1,CID3146299,,,,,,,,,,,,,,0.0,,,
c1ccc(Nc2ccccn2)cc1,CID81130,,,,,,,,,,,,0.0,,,,,
CNC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1,CID902053,,,,,,,,,,,,,,0.0,,,
CCCNC(=O)COC(=O)c1cccnc1Nc1ccccc1F,CID2544991,,,,,,,,,,,,,,0.0,,,
COc1ccccc1N(C(C)=O)c1nc(C)cc(C)c1C#N,CID886703,,,,,,,,,0.0,,,0.0,,0.0,,,
COCc1cc(C)nc(Nc2ccc(C)cc2C)c1C#N,CID744029,,0.0,0.0,0.0,,,,,,,,,0.0,,0.0,,
COCc1cc(C)nc(Nc2ccc(C)c(C)c2)c1C#N,CID744022,,0.0,,0.0,,0.0,,,0.0,,,,0.0,,,,
COc1cccc(Nc2ncccc2C(=O)O)c1,CID649967,,,,0.0,,,,,,,,,0.0,,,,
CCOC(=O)c1ccc(Nc2ncccc2[N+](=O)[O-])cc1,CID3097921,,,,,,,,,,,,,,0.0,,,
NC(=O)c1cccnc1Nc1cccc([N+](=O)[O-])c1,CID901913,,,,,,,,,,,,,,,0.0,,
NS(=O)(=O)c1cccnc1Nc1c(Cl)cccc1Cl,CID901910,,,,,,,,,,,,0.0,,,,,
CC(C)c1ccc(Nc2ncccc2C#N)cc1,CID852637,,,,,,,,,,,,,,,0.0,,
CCc1ccc(Nc2ncccc2C#N)cc1,CID852636,,,,,,,,,,,,0.0,,,,,
COc1cccc(Nc2nc(C)cc(C)c2C#N)c1,CID750162,,,,,,,,,,0.0,,,,,,,
COc1ccc(Nc2nc(C)cc(C)c2C#N)cc1,CID750163,,,,,,,,0.0,,,,,,,,,
CCOC(=O)c1ccc(Nc2nc(C)cc(C)c2C#N)cc1,CID892134,0.0,,0.0,0.0,0.0,,,0.0,0.0,,,,,0.0,0.0,0.0,
Cc1ccc(Nc2nc(C)cc(C)c2C(N)=O)cc1,CID750751,,,,,,,,,,,,0.0,,,,,
O=C(O)c1cccnc1Nc1ccc(Cl)cc1,CID1432578,,,,,,,,,,,,,,0.0,,,
COc1ccnc(Nc2ccc(C)c(C)c2)c1C#N,CID1475667,,,,,,,,,,,,0.0,,,,,
O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1,CID4488,,,,0.0,,,0.0,,0.0,,,,,,,,0.0
COc1ccc(Nc2nc(C)cc(C)c2C#N)cc1OC,CID712041,0.0,0.0,0.0,,0.0,,,0.0,0.0,,,,0.0,,,0.0,
COc1ccc(N(C(C)=O)c2nc(C)cc(C)c2C#N)c(OC)c1,CID706817,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccc(Nc2ncccc2C(N)=O)cc1[N+](=O)[O-],CID901926,,,,,,,,,,,,,,,0.0,,
NC(=O)c1cccnc1Nc1ccccc1F,CID901922,,,,,,,,,,,,,,0.0,,,
CCC(C)c1ccc(Nc2ncccc2C#N)cc1,CID11842297,,,,,,0.0,,,,,,,,,,,
COc1ccnc(Nc2cccc(C)c2)c1C#N,CID1475652,,,,,,,,,,,,0.0,,,0.0,,
COCc1cc(C)nc(Nc2ccccc2C)c1C#N,CID756386,,0.0,0.0,0.0,,,,0.0,,,,,,,,,
CCCCOC(=O)c1ccc(Nc2ccc([N+](=O)[O-])cn2)cc1,CID2842440,,,,,,,,,,,,,,0.0,,,
COCc1cc(C)nc(Nc2cc(C)ccc2C)c1C#N,CID791043,,0.0,0.0,0.0,,,,,0.0,,,,,,0.0,,
CC(=O)N(c1ccc(Cl)cc1)c1nc(C)cc(C)c1C#N,CID740893,,,,,,,,,,,,,,,0.0,,
COc1ccccc1Nc1ncccc1C(=O)O,CID2608786,,,,,,,,0.0,,,0.0,,,,,,
Cc1cc(C)c(C#N)c(Nc2ccccc2Cl)n1,CID661313,0.0,,0.0,,,,0.0,,,0.0,0.0,,,,,,
COc1ccccc1Nc1nc(C)cc(C)c1C(N)=O,CID748345,,0.0,,0.0,,,,,,,,0.0,,,0.0,0.0,
COc1cccc(N(C(C)=O)c2nc(C)cc(C)c2C#N)c1,CID656367,,0.0,,,,,0.0,,0.0,,,,0.0,0.0,0.0,,
COC(=O)COc1cccc(NC(=O)c2cccs2)c1,CID976732,,,,0.0,0.0,,0.0,0.0,0.0,,,,,,,,
COc1ccccc1NC(=O)c1ccc(C)s1,CID1247619,,,,,0.0,,,,,0.0,,,,0.0,,,
CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cccs2)cc1,CID730596,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(NC(=O)c2cccs2)cc1OC,CID670502,,,,0.0,0.0,,0.0,0.0,,,,,,,,,
COc1ccccc1NC(=O)c1cccs1,CID764595,,,,0.0,0.0,,0.0,,,,,,,,,,
CCOc1cc(NS(C)(=O)=O)c(OCC)cc1NC(=O)c1cccs1,CID655568,,,,0.0,0.0,0.0,0.0,,,,,,,,,,
CCc1ccccc1NC(=O)c1cccs1,CID765411,,,,,0.0,,0.0,,,0.0,0.0,0.0,,,,,
Cc1ccc(NC(=O)c2cccs2)cc1,CID2292972,,,,,,0.0,,,,,,,,,,,
COC(=O)c1ccccc1NC(=O)c1cccs1,CID681893,,,,,0.0,,0.0,0.0,,,,,,,,,
COc1cc(C(=O)O)cc(NC(=O)c2cccs2)c1OC,CID2432637,,,,,,,,,,,,,,0.0,,,
Nc1cccc(NC(=O)c2cccs2)c1,CID675398,,,,,0.0,,,,,,,,,,,,
CCCCN(CCCC)S(=O)(=O)c1ccc(NC(=O)c2cccs2)cc1,CID2186090,,,,,,,,,,0.0,0.0,,,,,,
Cc1ccc(C(=O)O)cc1NC(=O)c1cccs1,CID743768,,,,,,,,,0.0,,0.0,0.0,,,,,
CSc1ccccc1NC(=O)c1cccs1,CID307230,,,,,,,0.0,,,,,,0.0,,,,
Cc1ccc(NC(=O)c2sccc2C)cc1S(=O)(=O)N(C)C,CID4194680,,,,,,,,,,,,,,,0.0,,
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cccs2)c1,CID2793007,,,,,,,,,,,,,,0.0,,,
COc1cc(N)ccc1NC(=O)c1cccs1,CID676365,,,,,0.0,,0.0,0.0,,,,,0.0,,,,
Cc1ccsc1C(=O)Nc1ccc(C(=O)O)cc1,CID3236748,,,,,,0.0,0.0,,0.0,,,,0.0,,,0.0,0.0
CCC(=O)Nc1sc(C(=O)Nc2ccccc2F)c(C)c1C(=O)OC,CID1130885,,,,,,,,,,,,,,0.0,,,
CSc1ccccc1NC(=O)c1ccc(Cl)s1,CID1245556,,,,,,,,,,0.0,,,,0.0,,,
CCCC(=O)Nc1sc(C(=O)Nc2cccc(N)c2)c(C)c1C(=O)OC,CID1373890,,,,,,,,,,,,,,0.0,,,
CN(C)S(=O)(=O)Oc1ccsc1C(=O)Nc1ccc(Cl)cc1,CID4594206,,,,,,,,,,,,,,,0.0,,
COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccs1,CID811139,,,,,,,,,,,,,,0.0,,,
N/C(=N\O)c1ccc(NC(=O)c2cccs2)cc1,CID2952322,,,,,,,,,,,,,0.0,,,,
O=C(O)Cc1ccc(NC(=O)c2cccs2)cc1,CID888110,,,0.0,0.0,,,,0.0,0.0,,,0.0,,,,,
O=C(O)COc1ccc(NC(=O)c2cccs2)cc1,CID774598,,,,,,,,,0.0,,,0.0,,0.0,,,
O=C(Nc1ccccc1Cl)c1cccs1,CID652985,,0.0,,,,,,,,0.0,,,0.0,,,,
CCOC(=O)c1ccccc1NC(=O)c1cccs1,CID677613,,,,,0.0,,0.0,,,,0.0,,,0.0,,,
COc1ccc(NC(=O)c2cccs2)cc1O,CID655048,,,,0.0,0.0,,,0.0,,,,,,,,,
CCOC(=O)c1cccc(NC(=O)c2cccs2)c1,CID649213,,,,,0.0,0.0,,,,,,,,,,0.0,
COC(=O)c1c(NC(C)=O)sc(C(=O)Nc2ccccc2F)c1C,CID1131000,,,,,,,,,,,,,,0.0,,,
CN(C(=O)c1cccs1)c1ccccc1C(=O)O,CID750789,,,,,,,0.0,,0.0,0.0,,,0.0,,,,0.0
COc1cccc(NC(=O)c2cccs2)c1,CID790310,,,0.0,,0.0,,,,,,,,0.0,,,,
CCOc1ccc(NC(=O)c2cccs2)c([N+](=O)[O-])c1,CID2850415,,,,,,0.0,,,,,,,,,0.0,,
O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cccs1,CID573756,,,,,,,,,,,,,,,0.0,,
N#CCSc1ccsc1C(=O)Nc1ccc(F)cc1,CID2766952,,,,,,,,,,,,,,,0.0,,
O=C(O)c1ccc(NC(=O)c2cccs2)cc1,CID746807,,,0.0,,0.0,,,,0.0,,,,,0.0,,,
O=C(Nc1ccc(Cl)cc1)c1cccs1,CID728651,,,,,,,,,,0.0,,,,0.0,,,
COC(=O)Cc1ccc(NC(=O)c2cccs2)cc1,CID976662,,,,,0.0,,,0.0,,,,0.0,0.0,0.0,,0.0,
CC(=O)c1ccc(NC(=O)c2cccs2)cc1,CID573780,,,,,,,,,,0.0,,,,,,,
CCCC(=O)NC(=S)Nc1ccc(NC(=O)c2cccs2)cc1,CID823741,,,,,,,,,,,,0.0,,,,,
COc1ccc(NC(=O)c2cccs2)c([N+](=O)[O-])c1,CID574268,,,,,,0.0,,,,,,,,0.0,,,
Nc1ccc(NC(=O)c2cccs2)c(Cl)c1,CID649944,0.0,,,,,,0.0,,,,,,,,,,
CSc1ccccc1NC(=O)c1ccc(Br)s1,CID1244195,,,,,,,,,0.0,,,0.0,,,,,
COc1cc(NC(=O)c2cccs2)cc(OC)c1,CID644722,,,,,0.0,,,0.0,,0.0,,,,,,,
CCC(C)c1ccc(NC(=O)c2cccs2)cc1,CID2842666,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1c(N)sc(C(=O)Nc2ccccc2)c1C,CID698230,,,,,,,,,,,,,,0.0,,,
COc1cccc(CN2CCN(C(=O)CC(C)C)CC2)c1,CID704402,,0.0,,,0.0,0.0,,0.0,,,,,,,,,
COc1ccc(CN2CCN(C(=O)CC(C)C)CC2)c(OC)c1OC,CID1203196,,,,,,,,0.0,,,,0.0,0.0,,,,0.0
CCCS(=O)(=O)N1CCN(Cc2ccccc2OCC)CC1,CID770678,,,,0.0,0.0,,0.0,0.0,,,,,,,,,
COc1cc(Br)cc(CN2CCN(C)CC2)c1O,CID782430,0.0,,,,,,0.0,,,,0.0,,,,0.0,0.0,
CC(=O)C(C(C)=O)=C(N)N1CCN(Cc2ccccc2)CC1,CID873902,,,0.0,,,,,,,0.0,,,,,0.0,0.0,
CCN1CCN(Cc2ccc(C)cc2)CC1,CID1377053,,,,,,,,,,,,,,,,0.0,
COc1cc(CN2CCN(CCOCCO)CC2)cc(OC)c1OC,CID2223617,,,0.0,,0.0,,,,,0.0,,,0.0,,,,
COC(=O)c1ccc(CN2CCN(C(C)C)C(CCO)C2)cc1,CID16188566,,,,,,,,,,,,,,,0.0,,
CN1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1,CID782276,,,,,,,,,0.0,,,,,,,,
CCCCCCOc1ccc(CN2CCN(CC)CC2)cc1,CID2245043,,,,,,0.0,,,,,,0.0,,,,,
CC(C)(C)CC(C)(C)c1ccc(O)c(CN2CCN(CCC#N)CC2)c1,CID3101523,,,,,,,,,,,0.0,,,,,,
COC(=O)C(c1cc(OC)c(O)c(OC)c1)(N1CCNC(C)C1)C(F)(F)F,CID3236080,,,,,,,,,0.0,,,,,0.0,,,0.0
CS(=O)(=O)N1CCN(Cc2ccccc2C(F)(F)F)CC1,CID787181,,,,,0.0,,,,,,,,,,,,0.0
CCOC(=O)N1CCN(Cc2ccccc2F)CC1,CID782970,,,,0.0,,,,,,,,,,,,,
CCCCCCOc1ccc(CN2CCN(CCO)CC2)cc1,CID2845552,,,,,0.0,,0.0,0.0,0.0,0.0,0.0,,,,0.0,,
COc1ccc(Br)cc1CN1CCN(CCO)CC1,CID779882,0.0,,,,,,,,0.0,,,0.0,,,,0.0,0.0
CC(C)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1,CID882595,,,,,,,,,,,,,,,0.0,,
CCOC(=O)N1CCN(Cc2ccccc2Cl)CC1,CID782725,,0.0,,,,,,,,0.0,,,,,,0.0,0.0
CC(C)(C)c1cc(CN2CCN(CCC#N)CC2)cc(C(C)(C)C)c1O,CID644822,,,,,,0.0,,,0.0,,,,,,,,
COc1ccc(CN2CCN(C(=O)CC(C)C)CC2)cc1OC,CID742523,,,,0.0,,,,,,,,0.0,,,,,0.0
CC(C)CC(=O)N1CCN(Cc2cccc(F)c2)CC1,CID742529,,0.0,0.0,0.0,,,,,,,,,,,,,
CC(=O)c1cccc(CN2CCN(C(C)C)C(CCO)C2)c1,CID16191153,,,,,,,,,,,,,,0.0,,,
CCCCOc1ccc(CN2CCN(CC)CC2)cc1,CID2845756,,,,,,,,,,0.0,,,,,,,
CC(C)c1cc(CN2CCN(CCC#N)CC2)cc(C(C)C)c1O,CID3242246,,,,,,,,0.0,,,,,,,,,0.0
CCN1CCN(Cc2cc(Br)ccc2O)CC1,CID782390,,,,,,,,,,,0.0,0.0,,,,,
COc1cc(Br)cc(CN2CCN(C=O)CC2)c1O,CID783275,0.0,,,,,,,,,,,,,,,,0.0
Cc1ccc(CN2CCN(C)CC2)c(C)c1,CID791382,,,,0.0,,,0.0,0.0,,,,,,,,0.0,
CCCCCCOc1ccc(CN2CCN(C)CC2)cc1,CID2845604,,,,,0.0,,,,,,,0.0,,,,,
COc1cc(CN2CCN(C(=O)CC(C)C)CC2)cc(OC)c1OC,CID1529409,,,,,,,,0.0,,,,0.0,0.0,,,,0.0
CCOC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1,CID783099,0.0,0.0,0.0,,,,,,,,,,,,,0.0,0.0
CC(C)(C)c1cc(CN2CCN(CCO)CC2)cc(C(C)(C)C)c1O,CID2223717,0.0,,,0.0,,,,0.0,,,,,,,,,0.0
CCN1CCN(Cc2ccccc2C)CC1,CID785751,,,0.0,0.0,,,0.0,,,,,,,,,0.0,
CCN1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1,CID782167,,,,0.0,,,0.0,,0.0,,,,,,,,0.0
CC(C)N1CCN(Cc2ccccc2C(F)(F)F)CC1CCO,CID16191759,,,,,,,,,,,,,,0.0,,,
CCCCOc1ccc(CN2CCN(CCO)CC2)cc1,CID2845745,0.0,,0.0,0.0,,,0.0,,,,,0.0,,,,,
CCN1CCN(Cc2cc(Br)cc(OC)c2O)CC1,CID783416,0.0,,,,,,,,,,,0.0,,,,0.0,
Cc1ccc(CN2CCN(S(C)(=O)=O)CC2)cc1,CID787150,,,,,,0.0,,,,,,,,,,,
CCOc1cc(CN2CCN(CCOCCO)CC2)ccc1OC,CID2223751,,,,,,,,,0.0,,,,,,,,
CCN1CCN(Cc2cc(Br)cc(Br)c2O)CC1,CID1378307,,,,,,,,,,,,0.0,,,,,
CN(C)S(=O)(=O)N1CCN(Cc2ccccc2)CC1,CID669958,,,,,,,,,,0.0,,,,,,,
CCN1CCN(Cc2ccc(C)cc2C)CC1,CID792360,,,0.0,0.0,,,0.0,,,,,,,,,0.0,
Cc1ccccc1CN1CCN(S(C)(=O)=O)CC1,CID786264,,,,,,0.0,,,,,,,,,,,
CCN1CCN(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1,CID764033,,,,,,,,,,0.0,,,,,0.0,,
CSc1ccc(CN2CCN(CC=C(C)C)C(CCO)C2)cc1,CID16190193,,,,,,,,,,,,,,,0.0,,
COC(=O)C(CCSC)NC(=O)N1CCN(Cc2ccccc2)CC1,CID663624,,,0.0,,0.0,,,,0.0,,0.0,0.0,,,,0.0,
CN1CCN(Cc2ccccc2C(F)(F)F)CC1,CID763606,,,,,,,,,0.0,,,,,0.0,,,
CSCCC(NC(=O)C1CCC(C)CC1)C(=O)O,CID3240084,,,,,0.0,,,,,,,,,,,,
CC(C)CCC(C(=O)O)C(C)CC(=O)NC1CCCCC1,CID2959256,,0.0,,,,,,,,,,,,,,,
CCC(CC)=C(C#N)C(=O)NC1CCCCC1,CID843822,,,,,,,,,,,,,,,0.0,,
COC(=O)C(CC(C)C)NC(=O)NC1CCCCC1C,CID9551811,,,,,,,,,,,,0.0,,,,,
C/C(=N\O)C(=O)OC1CC(C)CCC1C(C)C,CID6419300,,,,,,,,,,,,,,,0.0,,
COC(=O)NCC1(C)CC(NC(=O)OC)CC(C)(C)C1,CID3246761,,,,0.0,,,,0.0,,,,,,,,,
CCCNC(=O)CN(C1CCCCC1)S(C)(=O)=O,CID1815812,,,,0.0,,,0.0,0.0,,,,,0.0,,,,
CCCCNC(=O)CN(C1CCCCC1)S(C)(=O)=O,CID1815814,,,0.0,,,,,,,0.0,0.0,,0.0,,0.0,,
CC(C)CNC(=O)CN(C1CCCCC1)S(C)(=O)=O,CID1815815,,0.0,,,,,0.0,,,,,,0.0,,,,
CCC(C)NC(=O)NC(=O)N(C1CCCCC1)S(C)(=O)=O,CID3579134,,,,,,,,,,0.0,,,,,,,
O=C(CNC(=O)C1CCCCC1)NCCCO,CID2917910,,0.0,,,0.0,,,0.0,,,0.0,,,,,,
COC(=O)C(CCSC)NC(=O)CNC(=O)C1CCCCC1,CID3241521,,,,,,,,,,,,,,,0.0,,
CC(NC(=O)OC(C)(C)C)C(=O)NCC1CCC(C(=O)O)CC1,CID5390018,,,,0.0,,,0.0,,,,,,,,,,0.0
O=C(O)CCC(=O)NNC(=O)CCC1CCCCC1,CID1765705,,,,,,,,,,,,,,,0.0,,
NCC1(CC(=O)O)CCCCC1,CID3446,,,,0.0,,,0.0,,,,,,,,,,
CN(C)CCNC(=O)NC1CCCCC1,CID876098,,,,,,,,,,,,0.0,,,,,
CCCCC1CCC(/C(N)=N/O)CC1,CID9579594,,,,0.0,,,,,,,,,,,,,
CCC(C)C(NC(N)=O)C(=O)NC1CCC(C)CC1,CID4222340,,,,,,,,,,,,,,,0.0,,
CCC(C)C(NC(=O)C1CCC(C)CC1)C(=O)NC(C(=O)OC)C(C)C,CID3242508,,,,0.0,,,,,,,,,,,,,
O=C(CCC(=O)OCCCC(F)(F)C(F)(F)F)NC1CCCCC1,CID2843558,,,,,,,,,0.0,,,,,,,,
C=CCOC(=O)CCCC(=O)NC1CCCCC1,CID2201704,,,,,,,,,,,,,,,,0.0,
O=C(O)CCC(=O)OCC1CCCCC1,CID879026,,,,,,,,,0.0,,,,,0.0,,,
CN(C(=O)CSCC(=O)O)C1CCCCC1,CID2497399,,,,,,,,,,,,,,0.0,,,
CCCC(CCC(=O)NC1CCCCC1)C(=O)O,CID2938780,,,,,,,,,,,,,,,,0.0,
CC1(C(=O)O)CC(C)(C(=O)O)CC(C)(C(=O)O)C1,CID688137,,,0.0,,,,,,,,,,,,,,
CC(C)=CCC(C)(C)CNC(=O)NC1CCCCC1,CID661085,,,0.0,0.0,,,,,,,,,,,,,
CCCCCC1CCC(C(=O)O)CC1,CID98882,,,,,,,,0.0,,,,,,,,,
CN(C)CCCNC(=O)CCC1CCCCC1,CID2582372,,,,0.0,,,,,,,,0.0,,,,,
C=CCN(CC=C)C(=O)C1CCC(C(=O)N(CC=C)CC=C)CC1,CID2984762,,,,,,,,0.0,,,,,,,,,0.0
CC(C)(C)N(C=C(Cl)Cl)C(=O)NC1CCCCC1,CID573613,,,,,,,,,,,,0.0,,,,,
CCCCOCCCNC(=O)C1CCCCC1,CID2289748,,,,,,0.0,,0.0,,,0.0,,,,,,
CCN(CC)CCNC(=O)NC1CCCCC1,CID2054543,,,0.0,0.0,,,0.0,,,,,,0.0,,,0.0,
CCCCCCNC(=O)C(C(=O)OCC)C1CCCCC1,CID2836838,,,,,,,,,,,,,,,,0.0,
C=CCNC(=O)C(C(=O)OCC)C1CCCCC1,CID2836844,,,,,,,,,,0.0,,,,,,,
O=C(O)CCC(=O)NC1CCCCC1,CID730603,,,,,,,,,,0.0,,,,0.0,,,
CSCCC(NC(N)=O)C(=O)NCC1CCCCC1,CID2998764,,,,0.0,,,,,,,,,,,,,
C/C(=C(\C#N)C(=O)NC1CCCCC1)N(C)C,CID870088,,,0.0,0.0,,,0.0,,,,,,,0.0,,,
CC(C)=CCCC(C)NC(=O)NC1CCCCC1,CID2871893,,,,0.0,,,,0.0,,,,,,,0.0,,
CCCCCC(C(=O)O)C(C)CC(=O)NC1CCCCC1,CID657819,,,,,,,,,,,,,0.0,,,,
CCC(C)(NC(=O)CNC(C)=O)C(=O)NC1CCCCC1,CID3235937,,0.0,,,,,0.0,0.0,,,,0.0,,0.0,,0.0,
CC1CC(CN)CC(CO)C1,CID3107848,,,,,,,,,,,,,,0.0,,,
NC(=O)CC1(CC(=O)O)CCCCC1,CID665664,,,,0.0,,,0.0,,,,,,,,,0.0,
NC(CC(=O)O)C1CCCCC1,CID2733681,,,,,,,,,,,,,,,0.0,,
COC(=O)C(CCSC)NC(=O)C(NC(=O)C1CCC(C)CC1)C(C)C,CID3236479,,,,,,,,,,,0.0,,,,,,
COc1cc(C)c(CN2CCN(c3ccccc3)CC2)cc1C,CID1377111,,,,0.0,,,0.0,0.0,,,,0.0,0.0,,,,
Clc1ccccc1CN1CCN(c2ccccc2Cl)CC1,CID764219,,,,,,,,,,0.0,,,,,,,
COc1ccc(CN2CCN(c3ccccc3F)CC2)c(OC)c1,CID2173523,,,0.0,0.0,,,,,,,,,,,,,
CC(C)c1ccc(O)c(CN2CCN(c3ccccc3)CC2)c1,CID818460,,,0.0,,,,,0.0,,,,0.0,,,,,0.0
COc1cc(CN2CCN(c3ccc(C)cc3)CC2)cc([N+](=O)[O-])c1O,CID1375657,,,,,,0.0,,,,,,,,,,,
COc1cc(CN2CCN(c3cccc(C)c3C)CC2)cc(Br)c1O,CID1069645,0.0,,,,,,,,0.0,,0.0,,,,,,0.0
COc1ccc(CN2CCN(c3cccc(C)c3C)CC2)cc1OC,CID764138,,,,0.0,,0.0,,0.0,,,,0.0,,,,,
COc1cc(OC)c(OC)cc1CN1CCN(c2ccccc2OC)CC1,CID1376842,,,,,,,0.0,0.0,,,,,,,,,
COc1ccccc1N1CCN(Cc2ccccc2Cl)CC1,CID765038,0.0,,,,,,,,,,,,0.0,,,0.0,0.0
COc1ccc(CN2CCN(c3ccccc3)CC2)c(C)c1C,CID785690,,,,,,,,0.0,,,,0.0,,,,,
CC(=O)Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1,CID655751,,,0.0,,,,,,,,,0.0,,,,,
CC(C)(C)c1ccc(O)c(CN2CCN(c3ccccc3)CC2)c1,CID3245253,,,0.0,0.0,,0.0,,0.0,,,,0.0,0.0,,,,
CCOc1cc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)ccc1O,CID1067897,,,,0.0,,,,,,,,,,,,,
COc1ccccc1N1CCN(Cc2ccccc2F)CC1,CID727091,,,,0.0,,,0.0,,,,,,,,,0.0,
CCOc1cccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1O,CID2845711,,,,,,,0.0,,,,,,,,,,0.0
COc1ccccc1N1CCN(Cc2cccc(OC)c2O)CC1,CID782737,,,,0.0,,,,,,,,,,,,,
Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)c(Cl)c1,CID931715,0.0,,,,,,,,,,,,,,,,
Cc1cc(O)c(CN2CCN(c3ccccc3)CC2)cc1C,CID2502887,,,,,,,,,,,,0.0,,,,,
COc1ccc(OC)c(CN2CCN(c3ccccc3OC)CC2)c1,CID764047,,,,,,,,0.0,,,,,,,,,
Oc1ccc(Br)cc1CN1CCN(c2ccccc2)CC1,CID783701,0.0,,,,,,0.0,,,,,,,,,0.0,0.0
COc1ccc(CN2CCN(c3ccccc3F)CC2)cc1O,CID763644,,,,,,,,,0.0,,,,,,,,
CCC(=O)Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1,CID650852,,,0.0,,,,0.0,,,,,0.0,,,,,
COc1cccc(N2CCN(Cc3ccc(Cl)cc3)CC2)c1,CID782116,0.0,,,,,,,,,,,,,,,0.0,0.0
COC(=O)c1cccc([N+](=O)[O-])c1CN1CCN(c2ccc(F)cc2)CC1,CID1482209,,,,,,,,,,,,,,0.0,,,
CCOc1ccccc1N1CCN(Cc2ccc(OC)c(OC)c2OC)CC1,CID1240313,,,,,,,,0.0,,,,0.0,0.0,,,,
COc1cc(CN2CCN(c3cccc(Cl)c3)CC2)cc(OC)c1OC,CID1377242,,,,,,,0.0,,,,,,0.0,,,0.0,
CCOc1ccccc1N1CCN(Cc2ccc(OC)c(OC)c2)CC1,CID1376960,,,,,,,,,,,,,,,0.0,,
CCOc1cc(CN2CCN(c3ccc(C(C)=O)cc3)CC2)ccc1OC,CID1379092,0.0,0.0,,,,0.0,,0.0,0.0,,,0.0,,,,,0.0
Cc1ccc(O)c(CN2CCN(c3ccccc3)CC2)c1,CID818475,,,,,,,,,,,,,,,0.0,,
COc1cc(OC)c(CN2CCN(c3ccc(F)cc3)CC2)cc1Br,CID1376877,0.0,,,,,,0.0,,0.0,,0.0,,,,0.0,,
CCOC(=O)C(c1ccccc1)N1CCN(c2ccc(OC)cc2)CC1,CID661644,0.0,,,,,,,,0.0,,,,,,,,
COc1cc(CN2CCN(c3cc(C)ccc3C)CC2)ccc1O,CID782696,,,,0.0,,,,0.0,,,,0.0,,,0.0,,0.0
CCC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1,CID646766,0.0,,,,,0.0,,0.0,,,,,,,,,0.0
CCOc1ccccc1N1CCN(Cc2cccc(OC)c2OC)CC1,CID1377098,,,0.0,0.0,,,0.0,0.0,,,,0.0,,,,,0.0
COc1ccccc1N1CCN(Cc2c(F)cccc2F)CC1,CID782311,,,,,,,,,,,,,0.0,,,,
Fc1ccccc1N1CCN(Cc2c(F)cccc2F)CC1,CID743098,,,,0.0,,,,,,,,,,,,,0.0
COc1cc(CN2CCN(c3cccc(C)c3C)CC2)cc(OC)c1O,CID1377033,0.0,0.0,,,,,,,,,,,0.0,,,,
COc1cccc(N2CCN(Cc3cccc(Cl)c3)CC2)c1,CID782220,,,,,,0.0,,,,,,,,,,,0.0
COc1cccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1OC,CID1377324,,,,,,,,,,,,,,,,,0.0
CCOCCCNC(=O)C(c1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1,CID5309735,0.0,,,,,,,,0.0,,,,,,,,
CC(=O)Nc1ccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1,CID1067937,,,,0.0,0.0,,,,,,,,,,,,0.0
COc1ccccc1N1CCN(Cc2cc(C)c(C)cc2O)CC1,CID2495854,,,,,,,,,,,,0.0,,,,,
COc1cc(CN2CCN(c3cc(C)ccc3C)CC2)cc([N+](=O)[O-])c1O,CID2845548,,,,,,,,,,,,0.0,,,,,
COc1cc(CN2CCN(c3ccccc3F)CC2)cc(OC)c1O,CID791293,,,0.0,0.0,,,,,,,,,,,,,
CC(C)OC(=O)Cn1nnc(-c2ccccc2)n1,CID2902401,,,,,,0.0,,,,,,,,,,,
CCc1ccc(-c2nn[nH]n2)cc1,CID647221,,0.0,,0.0,,,,,,,,0.0,,,,,
Cc1cccc(-c2nnn(CC/C(N)=N/O)n2)c1,CID9568007,,,,,,,0.0,,,,,,,,,,
CC(=O)Nc1ccccc1-c1nn[nH]n1,CID4440906,,,,,,,,,,0.0,,,,,,,
CCOc1ccc(-c2nn[nH]n2)cc1OCC,CID855817,,,,,,,,,,0.0,,,,,,,
CCc1ccc(-c2nnn(CCC(=O)OC)n2)cc1,CID647427,,0.0,1.0,0.0,,,,,,,,,0.0,,,,
CCOC(=O)Cn1nnc(-c2cccc(OC)c2)n1,CID653651,,0.0,0.0,,,0.0,,0.0,0.0,,,,0.0,,,,
COc1cccc(-c2nnn(CCC(=O)O)n2)c1,CID655980,,,0.0,,,,,0.0,,,,,,,,,
C#CC(C)(CC)NC(=O)Cn1nnc(-c2ccc(S(C)(=O)=O)cc2)n1,CID3244820,,0.0,0.0,,,,,0.0,,,,,,,,,
CC(C)(C)NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1,CID2529206,0.0,0.0,,,,0.0,,,,,,,,,,,
CCOC(=O)Cn1nnc(-c2ccc(S(C)(=O)=O)cc2)n1,CID715241,,,,,,,0.0,,,,,,0.0,0.0,,,
CCOc1ccc(-c2nn[nH]n2)cc1,CID647263,,,,,,,,0.0,,,,0.0,,,,,
CC(C)c1ccc(-c2nnn(CCC(=O)O)n2)cc1,CID651433,,,,,,0.0,,,,,,,0.0,,,,
CCCOc1ccc(-c2nnn(CC(=O)OCC)n2)cc1,CID649620,,0.0,,,,,,0.0,,,0.0,,,,,,
CC(C)c1ccc(-c2nn[nH]n2)cc1,CID858905,,0.0,,,,,,0.0,,,,,,,,,
CS(=O)(=O)c1ccc(-c2nnn(CC(N)=O)n2)cc1,CID6491356,,,,,,,,,,,,,,0.0,,,
Cc1ccc(-c2nnn(CC(=O)O)n2)cc1,CID701825,,,0.0,,,,,0.0,,,,,,,,,
CC(C)(C)NC(=O)Cn1nnc(-c2ccccc2Cl)n1,CID835138,,,0.0,,,,,,,,,,,,,,
CCOc1ccc(-c2nnn(CCC(=O)O)n2)cc1OC,CID651755,,,,,,,,0.0,,,,,,,,,0.0
NC(=O)Cn1nnc(-c2ccc(C(F)(F)F)cc2)n1,CID1243750,,0.0,,,,,,,0.0,,,,,,,,
COc1cccc(-c2nnn(CC(C)=O)n2)c1,CID860156,,,,,,,,,0.0,,0.0,,,,,,
COc1ccccc1-c1nnn(CC#N)n1,CID646836,,0.0,0.0,0.0,,,,,,,,0.0,0.0,,,,
COC(=O)CCn1nnc(-c2ccc(C(C)C)cc2)n1,CID644796,,0.0,,0.0,,,,,,,,0.0,0.0,0.0,0.0,,
CC(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl,CID653346,0.0,0.0,,,,,0.0,,,,,,0.0,,,,
COc1cccc(-c2nnn(CC(=O)O)n2)c1,CID653685,,0.0,,0.0,,,,0.0,,,,,,,,,
N/C(Cn1nnc(-c2ccccc2)n1)=N\O,CID648649,,0.0,,,,,0.0,,,,,,,,,,
CCOC(=O)Cn1nnc(-c2ccc(SC)cc2)n1,CID644880,,0.0,0.0,,,,,,,0.0,,,,,,0.0,
Cc1ccccc1-c1nn[nH]n1,CID583067,,,,,,0.0,,,,,,,,,,,
COc1ccc(-c2nnn(CCC(=O)O)n2)cc1,CID860833,,,,,,,,,,,,0.0,,,,,
Cc1ccc(-c2nnn(CCC(=O)NC(C)(C)C)n2)cc1,CID860043,,,,,,,,,,,,,,0.0,,,
CC(=O)CC(C)(C)n1nnc(-c2ccccc2)n1,CID658397,,0.0,0.0,0.0,,,,0.0,,,,0.0,0.0,,0.0,,
CCOc1ccc(-c2nnn(CC#N)n2)cc1OC,CID858910,,,,,,,,,,,,0.0,,,,,
CCn1nnc(-c2ccccc2NC(=O)C(F)(F)F)n1,CID652435,0.0,0.0,,,,,,,0.0,,,,,,,0.0,
CCCCOc1ccc(-c2nnn(C(C)C(=O)OCC)n2)cc1,CID652147,,,,,,,,0.0,,,,,0.0,0.0,0.0,,
CC(C)NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1,CID1454652,0.0,,,0.0,,,0.0,,,,,,0.0,,0.0,,
CCOC(=O)Cn1nnc(-c2ccc(OCC(C)C)cc2)n1,CID645292,,,0.0,,,0.0,,0.0,,,,,0.0,0.0,0.0,,
CS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1,CID655148,,,,,,,,,,0.0,,,,,,,
CCCCOc1ccc(-c2nnn(C(C)(C)C(=O)OC)n2)cc1,CID654624,,,,,,,,,,,0.0,,,0.0,0.0,,
COC(=O)Cn1nnc(-c2cccc(OC)c2)n1,CID653762,,0.0,0.0,,,0.0,,,0.0,,,,0.0,,,,
CC(C)(C)NC(=O)Cn1nnc(-c2ccc(S(C)(=O)=O)cc2)n1,CID715385,,0.0,,,,,,0.0,,,,,0.0,,,0.0,0.0
Nc1cc(-c2nn[nH]n2)ccc1F,CID592152,,0.0,,0.0,,,,,,,,,0.0,,,,
COc1ccc(-c2nnn(CC#N)n2)cc1OC,CID605082,,,,,,,,,,,,0.0,,,,,
COC(=O)CCn1nnc(-c2ccc(C)cc2)n1,CID654834,,,,,,,,0.0,,,,,0.0,,,,
Cc1cccc(NC(=O)c2cc3ccccc3o2)c1,CID725661,,,,0.0,,,,,0.0,0.0,,,,,,0.0,
CC(=O)Nc1cccc(NC(=O)c2oc3ccccc3c2C)c1,CID1245677,0.0,0.0,,,0.0,,,0.0,0.0,,0.0,,0.0,,,,0.0
CCC(=O)Nc1c(C(=O)Nc2cccc(OC)c2)oc2ccccc12,CID3245150,0.0,,0.0,,,0.0,,,,,,,,,,,
COc1cc(NC(=O)c2cc3ccccc3o2)c(OC)cc1Br,CID1183299,0.0,,,,,,0.0,,,,,0.0,,,,,0.0
CCOCC(=O)Nc1c(C(=O)Nc2ccccc2OC)oc2ccccc12,CID3236813,,,0.0,,,,0.0,0.0,,,,0.0,,,,,
COc1ccc(NC(=O)c2oc3ccccc3c2C)c(OC)c1,CID797590,,,,,,,,,,,,,,,,0.0,
CC(=O)Nc1cccc(NC(=O)c2cc3ccccc3o2)c1,CID2671017,,,,0.0,0.0,,,,0.0,0.0,,0.0,0.0,,,,0.0
CCOCC(=O)Nc1c(C(=O)Nc2ccc(OC)cc2OC)oc2ccccc12,CID3245921,,,,,,,,0.0,,,,,,,,,0.0
O=C(Nc1ccccc1)c1cc2ccccc2o1,CID725692,,,,,,,,,0.0,0.0,,,,,,,
COc1cccc(NC(=O)c2oc3ccccc3c2NC(C)=O)c1,CID3237524,0.0,,,0.0,,,,,0.0,,,0.0,0.0,,,0.0,0.0
COc1ccc(C)cc1NC(=O)c1cc2ccccc2o1,CID731639,,,,0.0,,,,0.0,,,0.0,,,,,,
COc1ccc(OC)c(NC(=O)c2cc3ccccc3o2)c1,CID675181,,,0.0,,,,0.0,,,0.0,,,0.0,,0.0,0.0,
COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1oc2ccccc2c1C,CID1247297,,,,,,,,0.0,,,,,,,,0.0,
COCC(=O)Nc1c(C(=O)Nc2ccccc2OC)oc2ccccc12,CID3239671,,,,,,,,,,,,0.0,,,,,
Cc1cccc(C(C)C)c1NC(=O)c1cc2ccccc2o1,CID729101,,,,,,0.0,,,,,,,,,,,
CCc1ccc2oc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c(C)c2c1,CID986582,,,,,,,,,,,,,,0.0,,,
CCN(CC)c1ccc(NC(=O)c2cc3ccccc3o2)cc1,CID875776,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC(=O)c2oc3cc(C)c(C)cc3c2C)c(OC)c1,CID975766,,,0.0,,,,,,,,,,,,0.0,0.0,
COc1ccccc1NC(=O)c1cc2ccccc2o1,CID675183,,,,,,,,,0.0,,,,,,,,
CCC(=O)NC(=S)Nc1ccc(NC(=O)c2cc3ccccc3o2)c(OC)c1,CID1154354,,,,,,,,,,,,,,0.0,,,
CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)Nc3ccc(OC)cc3OC)c(C)c2c1,CID3237678,,,0.0,,0.0,0.0,,0.0,,0.0,,,,,,,
CCC(=O)Nc1cccc(NC(=O)c2cc3ccccc3o2)c1,CID744688,0.0,,0.0,0.0,0.0,,0.0,,0.0,,0.0,0.0,0.0,,,,0.0
COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)C(C)(C)C)cc1,CID3241060,0.0,,,,,,,,,,,,0.0,,,,0.0
Nc1c(C(=O)Nc2ccc(Cl)cc2)oc2ccccc12,CID1083209,0.0,0.0,,,,,,,,,0.0,,,,,0.0,0.0
COc1cc(NC(=O)c2cc3ccccc3o2)c(OC)cc1Cl,CID725646,0.0,,,0.0,,,,,,,,,,,,,0.0
O=C(Nc1cccc(Br)c1)c1cc2ccccc2o1,CID802478,0.0,,,,,,0.0,,0.0,,0.0,0.0,,,0.0,0.0,0.0
CCC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1,CID876015,0.0,,,,0.0,0.0,0.0,,0.0,,,,,,,,0.0
CC(=O)Nc1ccc(NC(=O)c2oc3cc(C)c(C)cc3c2C)cc1,CID975543,0.0,,,0.0,0.0,,0.0,0.0,,0.0,,,,,,,0.0
CC(C)C(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1,CID834158,,,0.0,0.0,0.0,,0.0,,0.0,,,0.0,,,,,0.0
CCN(CC)c1ccc(NC(=O)c2cc3ccccc3o2)c(C)c1,CID952835,,,,,0.0,,,,,,,0.0,,,,,0.0
CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2cc3ccccc3o2)c1,CID4454577,,,,,,0.0,,,,,,,,,,,
COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc3ccccc3o2)c1,CID659892,,,0.0,,,,0.0,0.0,,,,,,,,0.0,
CCOC(=O)c1ccc(NC(=O)c2cc3ccccc3o2)cc1,CID682457,,,,0.0,,0.0,0.0,0.0,0.0,,0.0,,0.0,,,0.0,
Cc1ccc2c(C)c(C(=O)Nc3ccc(S(N)(=O)=O)cc3)oc2c1C,CID986573,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)CC)cc1,CID3236977,0.0,,,0.0,,,0.0,,0.0,0.0,0.0,0.0,,,,,
COCC(=O)Nc1c(C(=O)Nc2cccc(OC)c2)oc2ccccc12,CID3245824,0.0,,,,,,,0.0,,,,,,,,,
COc1ccc(NC(=O)c2cc3ccccc3o2)cc1,CID725675,,,,,,0.0,,,0.0,0.0,,,0.0,,,0.0,
CN(C)S(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3o2)cc1,CID2672846,0.0,,,,,0.0,0.0,,,,,0.0,0.0,,,0.0,
CC(C)C(=O)Nc1cccc(NC(=O)c2cc3ccccc3o2)c1,CID805276,,,,0.0,0.0,,,,,,,0.0,,,,,0.0
COc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)C(C)(C)C)c1,CID3244431,0.0,,,0.0,,,,,,,,,,,,,
COc1ccccc1NC(=O)c1oc2ccc(C)cc2c1C,CID879280,,,,,,,0.0,,,,,,,,,0.0,
CCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)C(C)C)cc1,CID3236237,0.0,,0.0,,,,,,0.0,,0.0,,,,,,0.0
CC(C)CNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1,CID2292177,,,0.0,,,,0.0,,,,,0.0,,,,,
Cc1ccc(S(=O)(=O)NC2CCC(C(=O)O)CC2)cc1,CID318781,,,,,,,,,0.0,,,0.0,,,,,
CSc1ccc(S(=O)(=O)NC2CCCCC2)cc1,CID803800,,,,,,,,,,0.0,,,,,,,
COc1ccc(OC)c(S(=O)(=O)NC2CCCCC2)c1,CID768892,,,,,,,,,0.0,0.0,,,,0.0,,,
CNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(OC)c(Cl)c1,CID2240865,,,0.0,0.0,0.0,,0.0,,,,,,,,,,0.0
COc1ccc(C)cc1S(=O)(=O)NC1CCCCC1,CID801220,,,,,0.0,0.0,0.0,,,,0.0,,,0.0,,,0.0
COc1cc(S(=O)(=O)NC2CCCCC2C)ccc1Cl,CID2978623,,0.0,,0.0,0.0,,,,,0.0,0.0,,0.0,,,,
Cc1ccc(S(=O)(=O)NC2(C(=O)O)CCCCC2)cc1,CID874931,,,,,,,,,0.0,0.0,,0.0,,,,,
CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)c(C(=O)O)c1,CID2119387,,,,,,,,,,,,,0.0,,,,0.0
COc1ccc(S(=O)(=O)N(CC(N)=O)C2CCCCC2)cc1Cl,CID1265688,,,,,,,,,,0.0,,,,,0.0,,
CCOc1cc(C)c(S(=O)(=O)NC2CCCCC2)cc1C,CID934725,0.0,,,,0.0,,0.0,,,,,,,0.0,,,
O=S(=O)(NC1CCCCC1)c1ccc(Br)cc1,CID789094,,,,,,,,,0.0,,,,,,,,0.0
CCOC1CCCCC1NS(=O)(=O)c1ccc(Cl)cc1,CID2912540,,,,0.0,,,0.0,,,0.0,,,,,,0.0,
CN(C1CCCCC1)S(=O)(=O)c1ccccc1,CID668788,,,,,0.0,,,,,,,,,,,,
CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)CCC(=O)O)cc1,CID1266303,,0.0,,,0.0,,,0.0,0.0,,,,0.0,,,0.0,
COC1CCCCC1NS(=O)(=O)c1ccccc1,CID2999085,,,,,,,,0.0,0.0,,,,0.0,,,,
CCOC(=O)C1CCCC(NS(=O)(=O)c2ccc(NC(C)=O)cc2)C1,CID3112773,,,,,,,,,0.0,,,,,,,,
CCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)O)cc1,CID891394,,,,,,,,,0.0,,,0.0,,0.0,,,
CCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1,CID2284358,,0.0,,,,0.0,,,,,,,,,,,0.0
O=C(O)C1(NS(=O)(=O)c2ccc(F)c(Cl)c2)CCCCC1,CID972893,,,,,,,,,,,,,0.0,,,,
O=C(O)C1(NS(=O)(=O)c2ccc(Cl)cc2)CCCCC1,CID875007,,,,,,,,,,0.0,,,,,,,
Cc1ccc(S(=O)(=O)NC2CCCC(C(=O)O)C2)cc1,CID2888549,,,0.0,0.0,,,,0.0,0.0,,0.0,,,,,,
COC1CCCCC1NS(=O)(=O)c1ccc(Cl)cc1,CID2910996,,,,,,,,,,0.0,,,,0.0,,,
CCN(CC)C1CCCCC1NS(=O)(=O)c1ccc(Cl)cc1,CID4232580,0.0,0.0,0.0,,0.0,,,,,,,,,,,,
O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)NCCCO,CID2244178,0.0,,,,,,,,,0.0,0.0,,0.0,,,,
O=C(O)c1ccc(S(=O)(=O)NC2CCCCC2)cc1,CID229357,,,,,,0.0,,,0.0,,0.0,0.0,,0.0,,0.0,
COCCCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(C)cc1,CID2290906,,,,,,0.0,0.0,,,,,,0.0,,,,
Cc1cc(C)c(S(=O)(=O)N(CC(=O)O)C2CCCCC2)c(C)c1,CID954208,,,,,,,,,0.0,,,,,0.0,,0.0,
C=CCNC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1,CID2194011,,0.0,,0.0,0.0,,,0.0,0.0,,,,,,,0.0,
CS(=O)(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1,CID2230101,,,,,,,,,,,,,,0.0,,,
O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)NCCCO,CID2290952,,,0.0,,,,,,,,,,0.0,,,,
Cc1ccc(S(=O)(=O)NC2CCCCC2)c(C)c1NS(C)(=O)=O,CID2973665,,,,,,,,,,,,,,0.0,,,
CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)O)cc1,CID646719,,0.0,,0.0,,0.0,0.0,0.0,0.0,,,,0.0,0.0,0.0,0.0,
CNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1,CID799512,,,,0.0,,,0.0,,,0.0,,0.0,,,,,
COc1ccc(C)cc1S(=O)(=O)NC1CCCCC1C,CID2978475,,,,,,,0.0,0.0,,,,,,,0.0,,
COc1ccc(S(=O)(=O)NC2CCCCC2)cc1C,CID847796,,,0.0,,0.0,,0.0,,,,,,,0.0,,,
COc1cc(S(=O)(=O)NC2CCCCC2)ccc1Cl,CID934975,,,,0.0,,,,,,,,,,,0.0,,
CCOc1ccc(C)cc1S(=O)(=O)NC1CCCCC1,CID850126,0.0,,,,0.0,,0.0,0.0,,,,,,,,0.0,
CCOc1cc(S(=O)(=O)NC2CCCCC2)ccc1F,CID850125,,,,,,,,,,0.0,0.0,,,,,,
CCN(C1CCCCC1)S(=O)(=O)c1ccc(OC)c(C)c1,CID849958,,,,,,,,,0.0,0.0,0.0,,0.0,,0.0,0.0,
COc1ccc(S(=O)(=O)NC2CCCCC2)c(C)c1C,CID2234313,0.0,,0.0,,0.0,,,,,,,,,,,0.0,
CCN(C1CCCCC1)S(=O)(=O)c1cc(C)ccc1OC,CID2931464,,,0.0,,,,0.0,,0.0,0.0,,,,,,,
CCCSc1nc(=O)cc(C)[nH]1,CID1973736,,,0.0,,0.0,,,,,,,,,,,,0.0
CCOC(=O)CSc1nc(=O)cc(N)[nH]1,CID309333,,,0.0,0.0,,,0.0,,,,,,0.0,,,,
CCCc1[nH]c(SCC(N)=O)nc(=O)c1CC,CID647470,,,,,,,0.0,0.0,,,,,0.0,,0.0,,
CCCc1cc(=O)nc(SCC(=O)NCCCC(=O)OCC)[nH]1,CID2094767,,,,,,,,,0.0,,,,,,,,
CCCCSc1nc(=O)c(CC(=O)O)c(C)[nH]1,CID645513,,,,,,,,0.0,,,,,,,,,
Cc1[nH]c(N)nc(=O)c1CCC(=O)OCC(C)C,CID3241344,,,,0.0,,,,,,,0.0,,0.0,,,,
CCCc1cc(=O)nc(SCC)[nH]1,CID729251,,,,0.0,0.0,,,,,,,,0.0,,,,0.0
C=CCSc1nc(=O)c(CC=C)c(C)[nH]1,CID660943,,,,,0.0,,,,,,,,,,,,
C=CCSc1nc(=O)c(CC(=O)OCC(C)C)c(C)[nH]1,CID2175621,,,,,,,,0.0,,,,,,,,,
CCCc1cc(=O)nc(SCC(=O)C(C)(C)C)[nH]1,CID2336009,,,,,,,,,0.0,,,,,,,,
C=CCSc1nc(=O)c(CC)c(O)n1C(C)CC,CID2842627,,,,,0.0,,0.0,,,,,,,,,,
C=CCn1c(O)cc(=O)nc1SCCCCCC,CID659133,,,,0.0,0.0,,0.0,,,,,,,,,,
CCn1c(O)cc(=O)nc1SCC(=O)NC(C)(C)C,CID658666,,,,,,,0.0,,,,,,,,,,
C=C(C)CSc1nc(=O)cc(N)[nH]1,CID653155,,,,,,,0.0,,,,,,,,,,
C=CCc1c(C)[nH]c(SC(C)C)nc1=O,CID738713,,0.0,,0.0,0.0,,,,,,,,,,,,
CCCSc1nc(=O)c(CC(=O)OCC)c(C)[nH]1,CID660881,,,0.0,0.0,0.0,,0.0,0.0,,,,,,,,,
CCCSc1nc(=O)c(CC)c(O)n1C(C)CC,CID2842565,,,,0.0,0.0,,0.0,,,,,,,,,,
CCSc1nc(=O)c(CC)c(O)n1C(C)CC,CID2843391,,,,0.0,0.0,,0.0,,,,,,,,,,
CCCCCCCSc1nc(=O)cc(N)[nH]1,CID1633309,,,,,,,,,0.0,,,0.0,,,,,
CCCCCCOC(=O)CCc1c(C)[nH]c(N)nc1=O,CID1621571,,,,,,,,,,,,0.0,,,,,
C=CCn1c(O)cc(=O)nc1SCC(=O)N(CC)CC,CID755668,,,,0.0,,,0.0,0.0,,,,,,,,0.0,0.0
CCc1[nH]c(SC)nc(=O)c1C,CID649201,,,0.0,0.0,0.0,,,,,0.0,,,,,,,
CCCCSc1nc(=O)cc(CCC)[nH]1,CID1562597,,,,,0.0,,,,,,,,0.0,,,,0.0
Cc1cc(=O)nc(CCl)[nH]1,CID4202488,,,,,,,,,,,,,,,0.0,,
C=CCn1c(O)cc(=O)nc1SCCCC,CID1618319,,,,0.0,0.0,,,,,,,,,,,,
CCCc1cc(=O)nc(SCC(=O)NC(=O)OCC)[nH]1,CID2172306,,,,0.0,,,,,,,,,,,,,0.0
CCCCSc1nc(=O)c(CC(=O)OC)c(C)[nH]1,CID650031,,,0.0,,0.0,0.0,0.0,,,,,,,,,,
C=CCSc1nc(=O)c(CC(=O)OCCCC)c(C)[nH]1,CID650646,,,,0.0,,0.0,0.0,,,,,,0.0,,0.0,,
C=CCc1c(C)[nH]c(SCC(=C)C)nc1=O,CID801933,,,,,0.0,,,,,,,,0.0,,,,0.0
Cn1c(O)cc(=O)nc1SCC(=O)NC(C)(C)C,CID659106,,0.0,,0.0,,,,,,,,,,,,,
COC(=O)Cn1cnc(=O)c(C#N)c1/C=C/N(C)C,CID870081,,,,0.0,,,,0.0,,,,,,,,,
CCCCSc1nc(=O)cc(O)n1CC,CID2906440,,,,,,,,,,,,,,,0.0,,
CCOC(=O)CSc1nc(=O)cc(C)[nH]1,CID593193,,,,,,,,,,,0.0,,,,,,0.0
CCCc1cc(=O)nc(SCC(N)=O)[nH]1,CID716897,,,,0.0,,,0.0,,,,,,0.0,,,,
CCN(CC)C(=O)CSc1nc(=O)cc(O)n1CC,CID768193,,,,0.0,,,,,,,,,,,,,
C=CCc1c(C)[nH]c(N)nc1=O,CID248387,,,,,,,,,,,,0.0,,,,,
CCCSc1nc(=O)c(CC(=O)O)c(C)[nH]1,CID662483,,,,0.0,,,,,,0.0,,,,,,,
CCN(CC)C(=O)CSc1nc(=O)cc(O)n1C,CID757478,,0.0,,,,,,,,,,,,,,,0.0
CCCCCc1c(C)[nH]c(SCC(=O)O)nc1=O,CID2219910,,,,0.0,,,,,,,,,,,0.0,,
CCCCc1c(C)[nH]c(N)nc1=O,CID99313,,,,,,0.0,0.0,,,,,0.0,,,,,
C=CCc1c(C)[nH]c(SCCC)nc1=O,CID660570,,,,,0.0,,,,,,,,,,,0.0,
COC(=O)CCc1c(C)[nH]c(N)nc1=O,CID936743,,,,,,,,,,,,0.0,,,,,
COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN2CCN(c3ccccc3)CC2)c1,CID2998756,,,,,,,0.0,,0.0,,,,,,,,
COc1ccccc1N1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1,CID4218803,,,,,,,,,,,,0.0,,,,,
CCN(CC)c1ccc(NC(=O)CN2CCN(c3ccccc3F)CC2)cc1,CID3236544,,0.0,,0.0,,,,,,,,,,,,,
O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1cc(C(F)(F)F)ccc1Cl,CID3236841,,,,,,,,,,,,0.0,,,,,0.0
O=C(CN1CCN(c2ccc(O)cc2)CC1)Nc1cc([N+](=O)[O-])ccc1Cl,CID2082496,,,,,,,,,,,,,,0.0,,,
O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1ccc(F)c(F)c1,CID3243840,0.0,,,,0.0,,,,,,,,,,,,0.0
COc1ccc(NC(=O)CN2CCN(c3ccc(Cl)cc3)CC2)c(OC)c1,CID3236815,0.0,,,,,0.0,,0.0,,,,,0.0,,,,0.0
COC(=O)c1ccc(NC(=O)CN2CCN(c3ccccc3C)CC2)cc1,CID605044,,,,,,,,,0.0,,,,,,,,
COc1ccccc1N1CCN(CC(=O)Nc2cc(F)ccc2C)CC1,CID650895,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1cccc(NC(=O)CN2CCN(c3ccc(OC)cc3)CC2)c1,CID651462,0.0,0.0,0.0,,,,,0.0,0.0,0.0,,0.0,,,,,0.0
O=C(CN1CCN(c2ccccc2)CC1)Nc1ccccc1C(F)(F)F,CID2239975,0.0,,,0.0,0.0,,,,,,,,,,,,0.0
COc1ccc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1Cl,CID3245729,,,,,,,,,,0.0,,,,,,,
COc1ccccc1NC(=O)CN1CCN(c2ccc(Cl)cc2)CC1,CID3238294,0.0,,,,,0.0,,0.0,,,,,0.0,,,,0.0
COc1ccccc1NC(=O)CN1CCN(c2ccccc2F)CC1,CID3242412,,,0.0,,,,,,,,,,,,,,
O=C(CN1CCN(c2ccc(Cl)cc2)CC1)Nc1cccc(F)c1,CID3236109,0.0,,,,,,,,,,,,,,,,0.0
Cc1cccc(N2CCN(CC(=O)Nc3ccccc3[N+](=O)[O-])CC2)c1C,CID3212829,,,,,,,,,,,,0.0,,,,,
COc1ccc(NC(=O)CN2CCN(c3ccccc3F)CC2)cc1,CID759055,,,0.0,,,,,,,,,,,,,,
CCC(=O)Nc1cccc(NC(=O)CN2CCN(c3ccccc3OC)CC2)c1,CID655088,0.0,,,,,,,,0.0,,,,,,,0.0,0.0
CN(C)c1ccc(NC(=O)CN2CCN(c3ccccc3F)CC2)cc1,CID3235936,,,0.0,,,,,0.0,,,,,,,,,
COc1ccc(C)cc1NC(=O)CN1CCN(c2ccc(F)cc2)CC1,CID650109,,,,0.0,,0.0,,,,,,,,,,,
CCN(CC)c1ccc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1,CID2264847,,,0.0,,,,,,,,,0.0,0.0,,,,
O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1cccc(C(F)(F)F)c1,CID1278151,0.0,,,,,,,,0.0,,,0.0,,,,,0.0
O=C(CN1CCN(c2ccccc2F)CC1)Nc1ccccc1F,CID2264863,0.0,,,0.0,,,,,0.0,,0.0,,,,,0.0,0.0
CCCC(=O)Nc1cccc(NC(=O)CN2CCN(c3ccccc3OC)CC2)c1,CID653573,0.0,,0.0,,,,,0.0,,,,,,,,,0.0
O=C(CN1CCN(c2ccccc2)CC1)Nc1cccc([N+](=O)[O-])c1,CID2399271,,,,,,,,,,,,,,,0.0,,
COC(=O)c1ccc(NC(=O)CN2CCN(c3ccc(OC)cc3)CC2)cc1,CID1374698,,,,,,,,,0.0,,,,,,,,
COc1ccccc1N1CCN(CC(=O)Nc2cccc(F)c2)CC1,CID2264834,,,0.0,,,0.0,,,,,,,,,,,
COc1ccccc1N1CCN(CC(=O)Nc2ccc(C)c(F)c2)CC1,CID2264836,,,,0.0,,,,0.0,,,,,0.0,,,,
COc1cc(NC(=O)CN2CCN(c3ccccc3F)CC2)cc(OC)c1,CID3240266,,,,0.0,,,,,,,,,0.0,,,,
COc1cccc(NC(=O)CN2CCN(c3ccccc3F)CC2)c1,CID3243039,,,,,,,,0.0,,,,,0.0,,,,
COC(=O)c1ccc(NC(=O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1,CID3241786,0.0,,,,,,,,,,0.0,,,,,0.0,0.0
COC(=O)c1ccc(NC(=O)CN2CCN(c3ccccc3)CC2)cc1,CID600165,0.0,,,0.0,,,,,0.0,,,,0.0,,,,0.0
COc1cccc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)c1,CID861149,,0.0,0.0,0.0,,,0.0,,,,,,,,,,0.0
COc1ccccc1NC(=O)CN1CCN(c2ccccc2)CC1,CID2234469,,,,,,,,,,,,,,,0.0,,
COc1ccc(C)cc1NC(=O)CN1CCN(c2ccccc2F)CC1,CID3244225,,,,,,,,,,,,,,0.0,,,
O=C(CN1CCN(c2ccc(Cl)cc2)CC1)Nc1ccc(F)cc1,CID970465,0.0,,,0.0,,,,,,,0.0,,,,,0.0,0.0
COC(=O)c1ccc(NC(=O)CN2CCN(c3cccc(Cl)c3)CC2)cc1,CID2362845,0.0,,0.0,,,,0.0,,,,,,0.0,,,0.0,0.0
COC(=O)c1cccc(NC(=O)CN2CCN(c3ccc(OC)cc3)CC2)c1,CID652688,0.0,,0.0,0.0,,,0.0,,0.0,,,0.0,,,,,0.0
CCOC(=O)c1ccc(NC(=O)CN2CCN(c3ccccc3)CC2)cc1,CID2981941,,0.0,0.0,0.0,,,,0.0,0.0,,,,0.0,,,,0.0
O=C(CN1CCN(c2ccccc2)CC1)Nc1cccc(C(F)(F)F)c1,CID1278179,0.0,,,0.0,0.0,,,,,,,,,,,,0.0
COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN2CCN(c3ccc(OC)cc3)CC2)c1,CID4202864,,,,,,,,,,,,0.0,,,,,
COc1ccc(N2CCN(CC(=O)Nc3c(C)cc(C)cc3C)CC2)cc1,CID644999,0.0,,0.0,,,,,,0.0,,,0.0,,,,,0.0
CCOC(=O)CNC(=O)CSc1ncnc2c1cnn2-c1ccc(OC)cc1,CID645541,,0.0,0.0,0.0,,,,,0.0,,0.0,,,,,,
CC(C)OCCCNc1ncnc2c1cnn2-c1ccccc1,CID661080,,0.0,,,,,,,,,,0.0,,,0.0,,
Nc1ncnc2c1cnn2-c1ccccc1,CID4879,,,,,,,,0.0,,,,,0.0,0.0,,,
CCCCNc1ncnc2c1cnn2-c1ccc(C)cc1C,CID4092759,,0.0,,,,,,,,,,,,,,,
OCCOCCNc1ncnc2c1cnn2-c1ccccc1,CID661400,,0.0,,0.0,,,,,,,,,,,,,
CCOC(=O)CSc1ncnc2c1cnn2-c1ccccc1,CID654052,,0.0,,0.0,,,,0.0,0.0,0.0,0.0,,,,,,
C=CCNc1ncnc2c1cnn2-c1ccc(Cl)cc1,CID1552290,0.0,,,,,,,,,,,,,,,,
OCCOCCNc1ncnc2c1cnn2-c1ccc(Cl)cc1,CID661110,0.0,,,,,,1.0,,,,,,,,0.0,,
CCC(CO)Nc1ncnc2c1cnn2-c1ccc(OC)cc1,CID4581219,,,,,,,,,,0.0,,0.0,,,0.0,,
CCOC(=O)CNC(=O)CSc1ncnc2c1cnn2-c1ccc(Cl)cc1,CID652284,0.0,0.0,0.0,0.0,0.0,,,,,,,0.0,,,,,0.0
Cc1cccc(-n2ncc3c(N)ncnc32)c1,CID660108,,,,0.0,,,,,,,,,,,,0.0,
CCCCNc1ncnc2c1cnn2-c1ccc(Cl)cc1,CID1588954,0.0,0.0,0.0,,,,,,,,,,0.0,,,,
Cc1ccc(-n2ncc3c(NCCCOC(C)C)ncnc32)c(C)c1,CID661068,,,,,,,,,,,,0.0,,,,,
CCOC(=O)CNC(=O)CSc1ncnc2c1cnn2-c1ccc(C)cc1,CID654950,,0.0,0.0,,,,0.0,0.0,0.0,,,0.0,0.0,,,,0.0
Cc1cccc(-n2ncc3c(N(CCO)CCO)ncnc32)c1,CID4158046,,0.0,0.0,,,,,,,,,,,,,,
CSc1ncnc2c1cnn2-c1ccc(C)cc1C,CID7199935,,,,,,,,,,,,,,0.0,0.0,,
CC(C)(C)Nc1ncnc2c1cnn2-c1ccccc1,CID711507,,0.0,,,,,,,,,,,,,,,
C=CCNc1ncnc2c1cnn2-c1cccc(C)c1,CID3588870,,,,0.0,,,,0.0,,,,,,,,,
COCCN(CCOC)c1ncnc2c1cnn2-c1ccc(Cl)cc1,CID3241906,,0.0,,,,,,,,,,,,,,,
C=CCNc1ncnc2c1cnn2-c1ccc(OC)cc1,CID661248,,0.0,,0.0,,0.0,,,,,,0.0,0.0,,,,
Cc1cccc(-n2ncc3c(NC(C)C)ncnc32)c1,CID946181,,,,0.0,,,,,,,,,,,,,
CCOC(=O)CNC(=O)CSc1ncnc2c1cnn2-c1ccccc1,CID645281,,,0.0,0.0,,,,0.0,0.0,,,,0.0,,,0.0,
COc1ccc(-n2ncc3c(NC(C)C)ncnc32)cc1,CID661070,,0.0,0.0,0.0,,,,,,,,0.0,,,,,
CCCCNc1ncnc2c1cnn2-c1ccccc1,CID219760,,0.0,,,,,,0.0,,,0.0,0.0,,,,,
CC(C)Nc1ncnc2c1cnn2-c1ccccc1,CID219761,,,,0.0,,,,,,,,0.0,0.0,,,,
CC(C)OC(=O)CSc1ncnc2c1cnn2-c1ccccc1,CID645916,,0.0,,0.0,,0.0,,,0.0,,,,,,,0.0,
C=CCNc1ncnc2c1cnn2-c1ccc(C)cc1C,CID3363788,,0.0,,,,,,0.0,,,,,,,,,
COCC(C)Nc1ncnc2c1cnn2-c1ccc(Cl)cc1,CID661257,0.0,,0.0,,,,0.0,,,,,0.0,,,,,
Cc1cccc(-n2ncc3c(NCCCO)ncnc32)c1,CID1582701,,0.0,,,,,,,,0.0,,0.0,,,0.0,,
CCOC(=O)CSc1ncnc2c1cnn2-c1ccc(C)cc1,CID655144,,0.0,,,,,0.0,0.0,,,0.0,,,,0.0,0.0,
CN(C)CCCNc1ncnc2c1cnn2-c1ccccc1,CID1595217,,0.0,,,,,,,,,,0.0,0.0,,,,
CCOC(=O)CSc1ncnc2c1cnn2-c1ccc(Cl)cc1,CID645615,,0.0,0.0,0.0,0.0,0.0,,,,,0.0,0.0,0.0,,0.0,,0.0
CCC(CO)Nc1ncnc2c1cnn2-c1ccc(Cl)cc1,CID3824334,0.0,0.0,,,,,,,,,,,,,0.0,,
CCCNc1ncnc2c1cnn2-c1ccc(OC)cc1,CID661237,,0.0,0.0,,,,,,,,,,,,,,
COc1ncnc2c1cnn2-c1ccccc1,CID726117,,,,,,,,,,,,0.0,,0.0,,,
CC(C)Nc1ncnc2c1cnn2-c1ccc(Cl)cc1,CID866407,0.0,,,,,,0.0,,,,,,,,,,
COCCN(CCOC)c1ncnc2c1cnn2-c1ccccc1,CID2187751,,0.0,0.0,,,,,,,,,,,,,,
CCOC(=O)CC(=O)CSc1ncnc2c1cnn2-c1ccccc1,CID648931,,,,0.0,,0.0,,,0.0,,0.0,,,,,,
COc1ccc(-n2ncc3c(NCC(C)C)ncnc32)cc1,CID661260,,0.0,0.0,0.0,,,,,,,,,,,,,
CCCN(CCC)c1ncnc2c1cnn2-c1ccc(OC)cc1,CID2941340,,0.0,0.0,,,,,0.0,,0.0,,0.0,,,,,
COCCCNc1ncnc2c1cnn2-c1ccc(C)cc1C,CID1606723,,0.0,,,,,0.0,0.0,,,,0.0,,,,,
CCOC(=O)CCCNC(=O)CCCNC(=O)C(c1ccccc1)c1ccccc1,CID2847497,,,,,,,,,,,,0.0,,,,,
Cc1ccc(C(NC(N)=O)c2ccccc2C)cc1,CID2853696,,,,,,,,,,,,0.0,,,,,
O=C(O)COc1ccccc1Cc1ccccc1,CID1991436,,,0.0,0.0,,0.0,,,0.0,,0.0,0.0,0.0,0.0,,,0.0
COC(=O)CNC(c1ccccc1)c1cc(Br)ccc1NC(C)=O,CID2870391,,,,,,,,,,,,,,0.0,,,
CCCN(CCC)C(=O)CC(c1ccccc1)c1cc(Br)ccc1O,CID2943075,,,,,,,,,,,0.0,,,0.0,,,
COc1ccc(Cc2ccc(OC)c(N)c2)cc1N,CID796517,,,,,,,,,,,0.0,,,,,,
NC(=O)NC(c1ccccc1)c1ccccc1,CID95253,,,,,,,,,,,,0.0,,,,,
CNC(=S)NCCC(c1ccccc1)c1ccccc1,CID1324908,,,,,,,,,,,,,,0.0,,,
CC(C)(CO)NC(=O)C(c1ccccc1)c1ccccc1,CID892414,,,,,,,,0.0,,,0.0,,,,,,
COC(=O)C(C)NC(=O)C(c1ccccc1)c1ccccc1,CID4537252,,,,,,0.0,,,,,,,,,,,
CC(C)NC(=O)CC(c1ccccc1)c1cc(Br)ccc1O,CID2959216,,,,,,,,,,,,0.0,,,,,
COCC(=O)NC(c1ccccc1)c1ccccc1,CID798780,,,,,0.0,,,0.0,0.0,,0.0,,0.0,,,0.0,0.0
COCCCNC(=S)NNC(=O)C(O)(c1ccccc1)c1ccccc1,CID2208345,,,,,,,,,,,,,,0.0,,,
CCOC(=O)CNC(c1ccccc1)c1cc(Br)ccc1NC(C)=O,CID2862045,,,,,,,,,,,,,,,0.0,,
O=C(NCCO)C(c1ccccc1)c1ccccc1,CID2057491,,,,0.0,,,,,,0.0,0.0,,,0.0,,,
CN(C)S(=O)(=O)NC(c1ccccc1)c1ccccc1,CID660459,0.0,,,,0.0,,,0.0,,,,0.0,0.0,,,,0.0
NC(=O)NC(c1ccccc1)c1ccccc1F,CID2852712,,,,,,,,0.0,,,,,,,,,0.0
CS(=O)(=O)Nc1ccc(Cc2ccc(NS(C)(=O)=O)cc2)cc1,CID1083469,,,,,0.0,,0.0,,,0.0,0.0,,0.0,,,,
CC(C)(C)NC(=O)CC(c1ccccc1)c1ccccc1O,CID2902872,,,,,,,,,,0.0,,,,,,,
Cc1ccc(C(NC(N)=O)c2ccccc2)cc1,CID2850258,,,,,,,,,,0.0,,0.0,,,,,
COC(CCN(C)C)(c1ccccc1)c1ccccc1,CID807523,,0.0,,,,0.0,0.0,,,0.0,0.0,,,,,,
COc1ccc(C(NC(N)=O)c2ccccc2)cc1,CID2849921,0.0,,,0.0,,,0.0,,,,,0.0,0.0,,,,
O=C(O)CC(c1ccccc1)c1ccccc1,CID64798,,,,,,,,,0.0,,,,,,,,
CN(C)CCCNC(=O)CC(c1ccccc1)c1ccccc1O,CID2981302,,,,0.0,,,,,,,,,,,,,
CCS(=O)(=O)Nc1ccc(Cc2ccc(NS(=O)(=O)CC)cc2)cc1,CID1292651,,,,,,,,,,,,,,0.0,0.0,,
CCN(CCO)C(=O)C(c1ccccc1)c1ccccc1,CID921277,,,,,,,,,,0.0,0.0,,,0.0,,,
CCN(CCO)C(=O)CC(c1ccccc1)c1cc(Br)ccc1O,CID2965132,0.0,,,,,,,,,,,0.0,,,,0.0,0.0
CC(C)N(CCO)C(=O)C(c1ccccc1)c1ccccc1,CID659521,,,,,0.0,,,0.0,,0.0,0.0,0.0,,,0.0,0.0,0.0
CC(C)CNC(=O)CC(c1ccccc1)c1ccccc1,CID836174,,,,,,,,,,,,,,0.0,,,
COc1cc(N)ccc1Cc1ccc(N)cc1OC,CID750093,,,,0.0,0.0,,,,,0.0,,0.0,,,,0.0,
CN(C)C(=O)C(c1ccccc1)c1ccccc1,CID13728,,,,,,0.0,,,,,,,,,,,
OCCCNC(c1ccccc1)c1ccc(O)cc1,CID2947852,,,0.0,,0.0,,,,,,,,,,,,
COC(=O)c1cc(Cc2ccc(N)c(C(=O)OC)c2)ccc1N,CID94419,0.0,0.0,,0.0,0.0,,,0.0,,,,,,,,,
COC(=O)CNS(=O)(=O)c1ccc(Cc2ccc(S(=O)(=O)NCC(=O)OC)cc2)cc1,CID3238699,,,,,0.0,,,,,,,,0.0,,,,
CC(C)(C)C(=O)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1,CID2237501,,,,,,,,,,,,,,0.0,,,
CC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)O,CID334134,,,,,,,,,,,0.0,,,,,,0.0
O=C(O)CCCNC(=O)C(c1ccccc1)c1ccccc1,CID1903637,,,,,,,,,,,,,,0.0,,,
O=C(CC(c1ccccc1)c1ccccc1)NCCO,CID2182301,,,,0.0,,,,,,,,0.0,,,,,
O=C(O)CCC(=O)Nc1ccc(Cc2ccc(NC(=O)CCC(=O)O)c(O)c2)cc1O,CID2263373,,,,,,,,,,,,,,0.0,,,
CN(C)N(C)C(=O)C(O)(c1ccccc1)c1ccccc1,CID818580,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1C(NC(N)=O)c1ccccc1,CID2849790,0.0,0.0,,0.0,,,,,,0.0,,0.0,,,,,
O=C(NC(Cc1ccc(F)cc1)C(=O)O)c1ccccc1,CID327999,,0.0,0.0,,,,0.0,,,,,,,,,,
O=C(NCCc1ccccc1)c1ccc([N+](=O)[O-])cc1,CID230117,,,,,,0.0,,,,,,,,,,,
CC(Oc1ccc(C(=O)NCCc2ccccc2)cc1)C(=O)O,CID2793098,,,,,,,,,,,0.0,,,,,,
Cc1cccc(C(=O)NCC(O)c2ccccc2)c1,CID2868810,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(C(=O)NC(Cc2ccccc2)C(=O)OC)cc1,CID3592496,,,,,,0.0,,,,,,,,,,,
O=C(NCCc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1,CID874195,,,,,,0.0,,,,,,,,0.0,,,
CC(C)(Cc1ccc(O)cc1)NC(=O)c1ccccc1,CID765444,,,,,,0.0,,,,,,,,,,,
COc1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC,CID659874,,,,0.0,0.0,,,,,0.0,0.0,,,,,,
O=C(NC(Cc1ccccc1)C(=O)O)c1ccccc1,CID273362,,,0.0,,,,,,,,,,,0.0,,,0.0
CC(NC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1)C(=O)O,CID2897827,,,,,,,,,,,0.0,,,,,,
Cc1ccc(CC(NC(=O)c2ccccc2)C(=O)NCC(=O)O)cc1,CID2939168,,,,,,,,,0.0,,,,,,,,
CCOc1ccc(C(=O)NCCc2ccccc2)cc1,CID669397,,,,,,0.0,,,0.0,0.0,0.0,,,,,,
NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(OC(F)F)c2)cc1,CID2354962,,,,,,,,,,,,,,,0.0,,
COc1ccc(CC(NC(=O)c2ccccc2)C(=O)NCC(=O)O)cc1,CID5144820,,,,0.0,,,,,,,,,,,,,
CC(Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1,CID3104539,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C(=O)NCCc2cccc(Cl)c2)cc1[N+](=O)[O-],CID898721,,,,,,,,,,,,,,0.0,,,
CC(C)OC(=O)C(C)Oc1ccc(C(=O)NCCc2ccccc2)cc1,CID2792534,,,,,,,,,,,0.0,,,,,,
O=C(NCCc1ccc(O)cc1)c1ccc(Cl)cc1,CID198234,,,,,,,,,,0.0,,,,,,,
C=CCN(c1ccc(C(=O)NCCc2ccccc2)cc1)S(C)(=O)=O,CID1294157,,,,,,0.0,,,0.0,,,0.0,,,,,
CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(=O)O,CID39042,,0.0,,,,,,,,,,,0.0,,,0.0,0.0
COc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1OC,CID1345345,,,,,0.0,,,,,,,,,,,0.0,
CS(=O)(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1,CID967552,,0.0,,0.0,0.0,,0.0,,0.0,,,,,,,0.0,
NS(=O)(=O)c1ccc(CCNC(=O)c2cccc([N+](=O)[O-])c2)cc1,CID742878,,,,,,,,,,,,,,0.0,,,
CCC(CC)C(=O)Nc1cccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1,CID1241660,,,,,,,,,,,0.0,,,,,,
NS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2F)cc1,CID2083046,,,,,,,,,0.0,,,,,,,,
Cc1cc(C(=O)NCCc2ccccc2)ccc1[N+](=O)[O-],CID3149278,,,,,,,,,,,,0.0,,,,,
NS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2[N+](=O)[O-])cc1,CID742879,,,,,,,,,,,,,,0.0,,,
CC(C)C(=O)Nc1cccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1,CID1308646,,0.0,,,,,,,,,,,,,,,0.0
CCN(CC)S(=O)(=O)c1cccc(C(=O)NCCc2ccccc2)c1,CID1311978,,,,,,,,,,,,0.0,,,,,
COc1ccc(CCNC(=O)c2ccccc2Cl)cc1OC,CID674895,,,,,,,,,,,,,,0.0,,,
CCOc1ccccc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1,CID884910,,,,0.0,0.0,,,0.0,,,,,,,,0.0,
CN(c1ccc(C(=O)NCCc2ccccc2)cc1)S(C)(=O)=O,CID894029,,,,,,,,,0.0,,,0.0,,,,,
COC(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccccc1OC,CID2829677,0.0,,0.0,,0.0,,0.0,,,,,,,,,0.0,0.0
CN(C)Cc1cc(CCNC(=O)c2ccc(Cl)cc2)ccc1O,CID596209,0.0,,,,,0.0,0.0,,,,,,0.0,,,,
NS(=O)(=O)c1ccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1,CID2376627,,,,,,,,,,,,,,,0.0,,
CN(C)C(CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1,CID3999902,,,,,,,,,,,,,,0.0,,,
COC(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccccc1,CID570999,,,,,,,,,,,0.0,,,,,,
CN(C)S(=O)(=O)c1cccc(C(=O)NCCc2ccccc2)c1,CID1262352,0.0,,0.0,,,,0.0,0.0,,,,0.0,,,,0.0,0.0
COc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1OC,CID300901,,,,,,,,,,,,,,0.0,,,
COC(=O)C(Cc1ccccc1)NC(=O)c1ccc(C)cc1,CID531438,,,,,,,,,,,,,,,0.0,,
COc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1,CID2093192,,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)O)cc1,CID788035,,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2nn(-c3ccccc3)cc2CO)cc1,CID882911,,,,,,,,,,,0.0,,,,,,
COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NCC(=O)O)c1,CID1287692,,,,,,,,0.0,0.0,,0.0,0.0,,,,,
O=C(O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1,CID829984,,,,,,,,,,0.0,0.0,,,,,,
Nc1ccc(-c2cc(N)n(-c3ccccc3)n2)cc1,CID202779,,,,,,,,,,,,,,,,0.0,
NC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1,CID2360790,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1cc(-c2ccc(OC)cc2)nn1-c1ccc(C(=O)O)cc1,CID2347877,,,,,,,,,,,,,,0.0,,,
N#Cc1cc(-c2ccccc2)nn1-c1ccccc1,CID542822,0.0,,,,,,,0.0,,,,0.0,,,,,
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)O)cc1,CID886557,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-n2nc(-c3ccc(N)cc3)cc2N)cc1,CID786192,,,0.0,,,,,0.0,,,0.0,,0.0,,,0.0,
CCCCNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1,CID2827798,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-c2cc(N)n(-c3ccc(F)cc3)n2)cc1,CID1478026,,,,,,,,,,,,,,0.0,,,
CC(=O)Nc1ccc(-c2cc(NC(C)=O)n(-c3ccccc3)n2)cc1,CID778690,0.0,,0.0,,,0.0,0.0,,,,0.0,0.0,0.0,,0.0,,
Cc1c(C(=O)NCCCC(=O)O)c(-c2ccccc2)nn1-c1ccccc1,CID5125614,,,,,,0.0,,,,,,,,,,,
CCC(C)/C(C)=N/NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1,CID4387745,,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(N)=O)cc1[N+](=O)[O-],CID1356260,,,,,,,,,,,,,,,0.0,,
COc1ccc(-c2nn(-c3ccccc3)cc2C#N)cc1,CID880209,,,,,,,,,,,,,,0.0,,,
N#Cc1cn(-c2ccccc2)nc1-c1ccccc1,CID700979,0.0,0.0,,,,,0.0,,,,,,,,,,
O=Cc1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1,CID818597,,,,,,0.0,,,,,,,,,,,
Cc1cccc(-c2cc(N)n(-c3ccccc3)n2)c1,CID2060622,,,,,,,,,,,,,,,0.0,,
Cc1ccccc1-n1nc(-c2ccc(N)cc2)cc1N,CID778714,,,,,,,,,,,,,0.0,,,0.0,
COC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1,CID740223,,,,,,,,,,,,,,0.0,0.0,,
CN(Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C(=O)CCC(=O)O,CID2121575,,,,,,,,,,,,,,,0.0,,
COc1cccc(-c2nn(-c3ccccc3)cc2CO)c1,CID977051,0.0,0.0,,0.0,0.0,,,,,,0.0,0.0,,,,,
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/N=C(N)N)cc1OC,CID2360136,,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2cc(C(=O)NN)n(-c3ccccc3)n2)cc1,CID2387114,,,,,,,,,,,,,,,0.0,,
COc1ccc(-c2nn(-c3ccccc3)cc2CO)cc1OC,CID883556,,0.0,,,,0.0,,,,0.0,,,,,,,
CNc1ccccc1-n1ccc(-c2ccccc2)n1,CID869424,,,0.0,,,,,0.0,,,,,,,,0.0,
Cc1ccc(-c2cc(N)n(-c3ccccc3)n2)cc1,CID854142,,,,,,0.0,,,0.0,,,,,,,,
Cc1cc(C)c(-c2nn(-c3ccccc3)cc2C=O)c(C)c1,CID880050,,,,,,0.0,,,,,,,,,,,
CCNC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1,CID880054,,,,,,0.0,,,,,,,,,,,
Cc1c(C(=O)O)c(-c2ccccc2)nn1-c1ccccc1,CID673680,0.0,,,,,,0.0,,,,,,0.0,,,,
COC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1,CID827499,,,,,,0.0,,,0.0,,,,,,0.0,,
CC(=O)C(=CNc1cc(-c2ccc(C)cc2)nn1-c1ccccc1)C(C)=O,CID1040797,,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)O)cc1OC,CID882240,,,,,,,,,,,,,,0.0,0.0,,
CC(=O)C(=Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(C)=O,CID2315922,,,,,,,,,,,,,,0.0,,,
CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)CCC(=O)O,CID2121583,,,,,,,,,,,,,,0.0,,,
Cc1c(C(=O)NC(C)C)c(-c2ccccc2)nn1-c1ccccc1,CID759525,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1c(-c2ccccc2)nn(-c2ccccc2)c1C,CID744754,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-c2cc(N)n(-c3ccc(C)cc3)n2)cc1,CID800457,,,,,,0.0,,,,,,,,,0.0,,
COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)O)c1,CID2377173,,,,,,0.0,,,,0.0,,,,0.0,,,
O=C(O)CCC(=O)Nc1ccc(N2CCOCC2)cc1,CID3245854,,,,0.0,,,,,,,,,,,,0.0,
CN(C)/N=C/c1ccc(N2CCOCC2)cc1,CID2343763,,,,,,,,,,,,,,,0.0,,
Nc1cccc(Cl)c1N1CCOCC1,CID952393,,,,,,,,,,0.0,,,,0.0,0.0,,
CO/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1,CID2768211,,,,,,,,,,,,,,,0.0,,
CC(C)CC(=O)NC(=S)Nc1ccc(N2CCOCC2)c(Cl)c1,CID1048092,,,,,,,,,,,,,,0.0,,,
CCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1,CID655533,,,,0.0,,,,,0.0,,,,,,,,0.0
COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1,CID2879154,,,,,,0.0,,,,,,,,,,,
CC(C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1,CID892077,,,,,,,,,0.0,,,,,,,,0.0
N#Cc1cc(Cl)c(N2CCOCC2)cc1C#N,CID605132,,0.0,0.0,,,,,,,0.0,,0.0,,,,,
CC(C)CC(=O)NC(=S)Nc1ccc(N2CCOCC2)cc1,CID823801,,,,,,,,,,,,,,0.0,,,
CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)O)c1,CID2512653,,,,,,,,,,,,0.0,,,,,
CC(C)CC(=O)Nc1ccccc1N1CCOCC1,CID2411866,,,0.0,,0.0,,,,,0.0,,0.0,0.0,,,0.0,
Nc1cc(Cl)ccc1N1CCOCC1,CID846189,0.0,0.0,,,,,0.0,,,0.0,,,0.0,,,,
Nc1ccccc1N1CCOCC1,CID735756,,,,,,,,,,,,0.0,,,,,
COc1cc(N2CCOCC2)ccc1C=C(C#N)C#N,CID1090393,,,,,,,,,,,,,,,0.0,,
O=C(O)CCC(=O)Nc1ccccc1N1CCOCC1,CID645051,,,,0.0,,,,,,0.0,0.0,,0.0,,,,
O=[N+]([O-])c1cc(Cl)ccc1N1CCOCC1,CID522191,,,,,,,,,,,,,,0.0,,,
CCCCOC(=O)Nc1ccc(N2CCOCC2)cc1,CID1562746,,,,,0.0,,,,,,,0.0,0.0,,,,
CC(=O)c1cc(F)c(N2CCOCC2)cc1C,CID684873,,,,,,0.0,,,,,,,,,,,
CC(C)CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1,CID4036201,,,,,,,,,,,,,,,0.0,,
CCCCCC(=O)NC(=S)Nc1ccc(N2CCOCC2)cc1,CID1718167,,,,,,,,,,,,,,,0.0,,
CC(C)(C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1,CID961068,,,,,,,,,0.0,,,,,,,,
CC(C)OC(=O)c1c(F)c(F)c(N2CCOCC2)c(F)c1F,CID1353275,,,,,,,0.0,,0.0,,,,,,,,
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)O)c1,CID2577517,,,,,,,,,,,,0.0,,0.0,,,
CCCC(=O)Nc1ccc(N2CCOCC2)cc1,CID774884,,,,0.0,,,,,,0.0,,0.0,0.0,,,0.0,
CCCC(=O)c1ccc(N2CCOCC2)c(F)c1,CID723653,,,,0.0,,,,0.0,,,,,0.0,,,,
COC(=O)c1ccc(N2CCOCC2)c(F)c1,CID5260611,,,,,,0.0,,,,,,,,,,,
COC(=O)c1c(F)c(F)c(N2CCOCC2)c(F)c1F,CID745091,,,,,,,,,0.0,,,,,,,,
CCC(CO)Nc1cc(N2CCOCC2)ccc1[N+](=O)[O-],CID2870738,,,,,,0.0,,,,,,,,,,,
O=[N+]([O-])c1cccc(Cl)c1N1CCOCC1,CID2885594,,,,,,,,,,,,,,0.0,,,
CCCNC(=O)Nc1cc(OCC)c(N2CCOCC2)cc1OCC,CID2299099,,0.0,0.0,,,,,,,,,,,,,,
CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1,CID891590,,,,,,,,,,,,0.0,,,,,0.0
CCNC(=S)N/N=C(\C)c1ccc(N2CCOCC2)cc1,CID3551165,,,,,,,,,,,,,,,0.0,,
CCCC(=O)NC(=S)Nc1ccccc1N1CCOCC1,CID833951,,,,,,,,,,,,,,0.0,,,
O=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1,CID2794872,,,,,,,,,,,,,,,0.0,,
Nc1ccc(N2CCOCC2)c(Cl)c1,CID108661,,,,,,,0.0,,,0.0,,,,,,0.0,0.0
N#Cc1c(F)cccc1N1CCOCC1,CID654627,,,,0.0,,,,0.0,,,,,0.0,0.0,,,
CC(C)CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1,CID891690,,,,,,,,,0.0,,,,,,,,
Cc1cc(N2CCOCC2)ccc1/C=C\[N+](=O)[O-],CID1782673,,,,,,,,,,,,,,0.0,,,
CS(=O)(=O)c1ccc(N2CCOCC2)c(S(C)(=O)=O)c1,CID890899,,,,,0.0,,,,,,,,,,,,
CC(C)CC(=O)Nc1ccc(N2CCOCC2)cc1,CID960348,,,,,,,,,,0.0,,,,,,,
COc1ccc(N2C(=O)c3ccc(NC(C)=O)cc3C2=O)cc1,CID656043,,,,,,,0.0,,,,0.0,,,,0.0,0.0,
COc1ccc2c(c1OC)C(=O)N(c1ccccc1)C2=O,CID764249,,,,,,,,,,,,,,0.0,0.0,,
CCOc1ccc(N2C(=O)c3ccccc3C2=O)cc1,CID709445,,,,,,,,,0.0,,,,,,,,
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccccc1,CID272783,,,,,,,,,,,,,,0.0,,,
O=C1c2ccccc2C(=O)N1c1ccc(Cl)cc1,CID81867,,,,,,,,,,,,,,0.0,,,
O=C1c2ccccc2C(=O)N1c1ccccc1S(=O)C(F)(F)F,CID825459,,,,,0.0,,,0.0,,,,,,,,,0.0
CC(C)NS(=O)(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1,CID815028,,,,,,,,,0.0,,,0.0,,0.0,,,
COc1ccc2c(c1OC)C(=O)N(c1cccc(C)c1)C2=O,CID748484,,,,0.0,,0.0,0.0,0.0,0.0,,,,,,,,
CC(=O)Oc1cccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)c1,CID787228,,,,,,0.0,,,,,,,,,0.0,,
CCCCC(=O)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O,CID2301106,,,,,0.0,,0.0,,0.0,,0.0,,,,,,0.0
CC(C)(C)NS(=O)(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1,CID1101285,,,,,,,,,0.0,0.0,,,,,,,
CC(=O)Oc1ccc(C)cc1N1C(=O)c2ccc(C(=O)O)cc2C1=O,CID869759,,,,,,0.0,,,,,,0.0,,,,,
Cc1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O,CID835773,,,,,,,,,,,,,,0.0,0.0,,
CCOCCOC(=O)COc1ccc(N2C(=O)c3ccccc3C2=O)cc1,CID1569498,,,,,,,0.0,0.0,,,,,,,0.0,,0.0
CC(C)Oc1ccc(N2C(=O)c3ccccc3C2=O)cc1,CID731116,,,,,,,,,0.0,0.0,0.0,,,0.0,0.0,,
Cc1cccc(C)c1N1C(=O)c2ccccc2C1=O,CID73324,0.0,,0.0,,,0.0,,0.0,0.0,,,,0.0,0.0,,0.0,
CC(C)CC(=O)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O,CID3139429,,,,,,,,,0.0,,,,,,,,
COc1ccc(N2C(=O)c3ccccc3C2=O)cc1,CID250687,,,,,,,,,,,,,,0.0,0.0,,
CC(=O)NS(=O)(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1,CID680996,,,,,,,,,,,,,,0.0,,,
CCOc1ccccc1N1C(=O)c2ccc(C(=O)O)cc2C1=O,CID869264,,,,0.0,,,,,,,,,,,0.0,,
COc1ccc2c(c1OC)C(=O)N(c1ccc(O)cc1)C2=O,CID889227,,,,,,,,,,,,,,0.0,,,
C=CCNS(=O)(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1,CID2254353,,,,,,,,,,,,,,0.0,,,
CCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O,CID650524,,,0.0,0.0,,,,0.0,0.0,,,,,,0.0,0.0,
CCN(CC)c1ccc(N2C(=O)c3ccccc3C2=O)cc1,CID2297784,0.0,,,,0.0,,0.0,0.0,0.0,,,,0.0,,,0.0,
CC(=O)Nc1ccc2c(c1)C(=O)N(c1ccc(C)cc1)C2=O,CID759328,,,,,,,,,,0.0,0.0,,,,,,
O=C(O)c1ccc2c(c1)C(=O)N(c1cc(C(=O)O)ccc1Br)C2=O,CID1255774,0.0,,,,,,,,,,0.0,,,,,,
Cc1ccc(N2C(=O)c3ccc(N)cc3C2=O)cc1C,CID3244287,0.0,,,,0.0,,,,,,,,,,,,0.0
Cc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl,CID644566,,,,0.0,,,,,,,,,,,,0.0,
CC(=O)Oc1cccc(N2C(=O)c3ccccc3C2=O)c1,CID902548,,,,,,,,,,,,,,0.0,0.0,,
CC(=O)Nc1cccc2c1C(=O)N(c1ccccc1C)C2=O,CID787219,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc2c(c1OC)C(=O)N(c1ccc(C)c(C)c1)C2=O,CID903671,,,,,,,,,0.0,,0.0,,,,,,
Cc1ccc(N2C(=O)c3ccc(N)cc3C2=O)cc1,CID654782,0.0,,,,,0.0,,,,,,,,,,,
CC(=O)Nc1cccc2c1C(=O)N(c1cccc(C)c1)C2=O,CID830808,,,,,,,,,0.0,,,,,0.0,,,
CC(=O)Oc1ccccc1N1C(=O)c2ccc(C(=O)O)cc2C1=O,CID540689,,,,,,,,,,,,,0.0,,0.0,,
Cc1ccc(N2C(=O)c3ccccc3C2=O)cc1C,CID778872,,,,,,,,,,0.0,,,,0.0,,0.0,
CCOC(=O)Nc1ccccc1N1C(=O)c2ccccc2C1=O,CID728497,,,0.0,0.0,,,,,0.0,,,,0.0,,,0.0,
Nc1cccc2c1C(=O)N(c1ccccc1)C2=O,CID3448473,,,0.0,,,,,,,,,,,,,,
Cc1c(Cl)cccc1N1C(=O)c2ccccc2C1=O,CID780576,,0.0,0.0,0.0,,,,,,0.0,,0.0,,0.0,,,0.0
O=C(O)COc1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1,CID872817,,,,,,0.0,,,,,,,,,,,
CC(=O)Nc1cccc2c1C(=O)N(c1ccc(C)cc1)C2=O,CID765586,,,,,,,,,0.0,0.0,,,,0.0,,,
COc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2N)cc1,CID646785,,0.0,,,0.0,,0.0,,,,0.0,,,,,,
COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3)n2C)cc1,CID655531,0.0,0.0,,0.0,0.0,0.0,0.0,,,,0.0,,,,,0.0,
CCC(=O)Nc1cccc(NC(=O)CSc2nnc(-c3ccc(NS(C)(=O)=O)cc3)n2C)c1,CID644936,,0.0,0.0,,,0.0,,,0.0,,,0.0,,,,0.0,0.0
COc1cccc(-c2nnc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n2C)c1,CID2612697,,0.0,,0.0,,,,,0.0,,,,,,,0.0,0.0
COc1ccc(NC(=O)CSc2nnc(-c3ccccc3C)n2N)cc1OC,CID662915,,,0.0,,0.0,,,0.0,0.0,0.0,0.0,,,,0.0,0.0,
Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2N)c1C,CID662442,,,,,,0.0,,,,,0.0,,,,,,
CCOc1cccc(-c2nnc(SCC(=O)Nc3cc(C)ccc3OC)n2N)c1,CID662758,,,,,0.0,,,,,0.0,0.0,,,,,0.0,
CCn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1ccccc1OC,CID3723838,,,,,,,,,,0.0,,,,,,,
CCn1c(SCC(=O)Nc2ccc(N(C)C)cc2)nnc1-c1cccc(C)c1,CID665133,0.0,,0.0,0.0,0.0,0.0,0.0,0.0,,,,,,,,0.0,0.0
CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1ccc(Cl)cc1,CID665136,,0.0,,,0.0,0.0,,,,,,0.0,0.0,,,,0.0
Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2N)c1,CID662703,,,0.0,,,,0.0,,,0.0,0.0,0.0,,,,,
COc1ccc(NC(C)=O)cc1NC(=O)CSc1nnc(-c2ccccc2)n1N,CID1264947,,,,,0.0,,,,,0.0,0.0,,,,,0.0,
CCOc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2N)cc1,CID645628,,,,,0.0,,,,,0.0,,,,,,,0.0
CCn1c(SCC(=O)Nc2ccccc2C(=O)OC)nnc1-c1cccc(C)c1,CID1206622,,,,,,,,,,0.0,0.0,,,,,,
COc1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2C)cc1,CID648043,0.0,,0.0,,0.0,,,,,,0.0,0.0,,,0.0,,0.0
COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n1C,CID2218711,,,,,,0.0,,,0.0,,,,,,,,
COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccc(OC)cc2)n1C,CID1124016,,,,,,,,,,,0.0,,,,,,
CCn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1cccc(OC)c1,CID665328,,0.0,,0.0,,0.0,,,0.0,0.0,,0.0,,,,0.0,
CCOc1cccc(-c2nnc(SCC(=O)Nc3ccc(OC)c(OC)c3)n2N)c1,CID662980,,,,,0.0,,,,,0.0,,,,,,,
CCOc1cccc(-c2nnc(SCC(=O)Nc3cccc(OC)c3)n2N)c1,CID662461,,0.0,0.0,0.0,0.0,,,,,0.0,,,,,,,
COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2cccc(NC(C)=O)c2)n1C,CID1236189,,,,,0.0,,,0.0,,,,0.0,0.0,,,,
COc1cccc(-c2nnc(SCC(=O)Nc3cc(C)ccc3OC)n2N)c1,CID662439,,0.0,0.0,,0.0,0.0,,0.0,,0.0,,,,,,0.0,
COc1cccc(-c2nnc(SCC(=O)Nc3ccc(OC)c(OC)c3)n2N)c1,CID662718,,,,,0.0,,,0.0,,0.0,0.0,,,,,0.0,0.0
COc1ccc(NC(=O)CSc2nnc(-c3ccccc3C)n2N)cc1,CID662994,,0.0,,,0.0,,0.0,,,0.0,,,,,,,
COc1ccccc1NC(=O)CSc1nnc(-c2ccc(NC(C)=O)cc2)n1C,CID661380,,,0.0,0.0,0.0,,,0.0,,,,,,,,,0.0
Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3)n2N)c1,CID665160,,,,,,,0.0,,,0.0,0.0,,,,,,
COCCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1ccc(Cl)cc1,CID1783486,0.0,,,,0.0,,,,0.0,,,0.0,,,,,
COc1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2N)cc1,CID663261,,,0.0,,0.0,0.0,0.0,,,,,,,,,0.0,
COCCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1ccccc1,CID2194597,0.0,,0.0,0.0,,,,0.0,,,0.0,,0.0,,,0.0,0.0
COc1ccc(NC(C)=O)cc1NC(=O)CSc1nnc(-c2ccc(F)cc2)n1N,CID662525,0.0,,,,0.0,,,,,0.0,,,,,,,
Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3)n2N)c1,CID662305,,,0.0,,,0.0,0.0,,,0.0,0.0,,0.0,,,0.0,0.0
COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3)n2C)cc1,CID654161,,,,,0.0,0.0,,,,,,,0.0,,,0.0,
COc1cccc(NC(=O)CSc2nnc(-c3cccc(OC(C)C)c3)n2N)c1,CID662302,,,0.0,,0.0,,,,,,0.0,0.0,,,,0.0,
COc1ccc(NC(=O)CSc2nnc(-c3ccccc3C)n2C)cc1,CID650012,0.0,,,,0.0,,0.0,,,0.0,,,,,,,0.0
CCn1c(SCC(=O)Nc2ccccc2C(=O)OC)nnc1-c1ccc(N)cc1,CID661513,,,,,0.0,0.0,0.0,0.0,,,,,0.0,,,,
CCOc1cccc(-c2nnc(SCC(=O)Nc3cc(OC)cc(OC)c3)n2N)c1,CID662732,,,,,0.0,,0.0,,,,0.0,,,,,,
CCN(CC)S(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3cccc(OC)c3)n2C)cc1,CID2475961,,,,,,,,,,,0.0,0.0,,,,,
C=CCn1c(SCC(=O)Nc2ccc(N(C)C)cc2)nnc1-c1cccc(C)c1,CID665253,0.0,,,,,,0.0,0.0,,,,0.0,,,,,0.0
Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2)n1N,CID662764,,,,,0.0,,0.0,,,,,,,,,,0.0
COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)n1N,CID663055,,,,,0.0,0.0,,,,0.0,,,,,,,
CC(=O)Nc1cccc2c1C(=O)NC2=O,CID138666,,,,,,,,0.0,,,,0.0,,,,,
CCCCC(=O)Nc1ccc2c(c1)C(=O)NC2=O,CID5310372,,0.0,,,,,,,,,,,,,,,
C=CCNC(=O)C(C)N1C(=O)c2ccccc2C1=O,CID2788324,,,,,,,,0.0,,,,,,,,0.0,
CCN(CC)c1ccc2c(c1)C(=O)N(C)C2=O,CID665052,,,,,,,,,,,0.0,,0.0,,,,
CC(C(=O)O)N1C(=O)c2ccccc2C1=O,CID86884,,,,,,0.0,,,,,,,,,,,
Nc1ccc2c(c1)C(=O)N(CCCC(=O)O)C2=O,CID652179,,,,,,,,,,,,,,0.0,,,
CC(C)C(/C([O-])=C/[N+]#N)N1C(=O)c2ccccc2C1=O,CID5389072,,,0.0,0.0,,,0.0,,,,,,,0.0,,,
O=C(O)CCN1C(=O)c2ccccc2C1=O,CID76859,,,,0.0,,,,,,,,,,,,,
COC(=O)CCC(C(=O)O)N1C(=O)c2ccccc2C1=O,CID3238613,,,,,,,0.0,0.0,,,0.0,,,,,,
COCCCN1C(=O)c2ccc(C(=O)O)cc2C1=O,CID1642421,,,,,,,,,,,0.0,,,,,,
CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(CCC(=O)O)C2=O,CID803966,,,,,,0.0,,,,,,,0.0,,,,
O=C(O)CCCCCN1C(=O)c2ccc(C(=O)O)cc2C1=O,CID1726561,,,,,,,,,,,,,0.0,,,,
CCCOC(=O)CN1C(=O)c2ccccc2C1=O,CID648307,,,,,,,,0.0,,,,,0.0,,,0.0,
C=CCOC(=O)CN1C(=O)c2ccccc2C1=O,CID2247907,,,,,,,,,,,,,0.0,,,0.0,
CSCCC(NC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)O,CID3245303,,0.0,,,,,,0.0,,,,,,,,,
CCOC(=O)CNS(=O)(=O)CCN1C(=O)c2ccccc2C1=O,CID344572,,,,,,,,,,,,,0.0,,,,
COc1ccc2c(c1OC)C(=O)N(C(C)C(=O)O)C2=O,CID3242849,,,0.0,,,,,,,,,,,,,,
CCCC(=O)Nc1ccc2c(c1)C(=O)NC2=O,CID7157941,,,,,,,,,,,,,,,0.0,,
CC(C)(C)N1C(=O)c2ccc(C(=O)O)cc2C1=O,CID2852386,0.0,,0.0,,,,,0.0,,,,,,,,,
CCOC(=O)C(CC(C)C)NC(=O)CCN1C(=O)c2ccccc2C1=O,CID4163491,,,,,,0.0,,,,,,,,,,,
COCCN1C(=O)c2ccc(C(=O)O)cc2C1=O,CID2208969,,,,,,,,,,,,,,0.0,,,
CSCCC(C(=O)O)N1C(=O)c2ccc(C(=O)O)cc2C1=O,CID2925264,,,,,,,,,,,,,,,,0.0,
CC(C)OC(=O)CN1C(=O)c2ccccc2C1=O,CID272762,,0.0,0.0,,,,0.0,,,,,,,,,,
CCCCOC(=O)CN1C(=O)c2ccc(C(=O)OCCCC)cc2C1=O,CID652552,,,,,,,,0.0,,,,,,,0.0,,
CN1C(=O)c2cccc(N(C)C)c2C1=O,CID649666,,,,,,,,,,0.0,0.0,,,,,,
CCCOC(=O)CN1C(=O)c2ccc(C(=O)OCCC)cc2C1=O,CID654238,,,,,,0.0,,,,,,,,,,,
CC(=O)OCCCCON1C(=O)c2ccccc2C1=O,CID2141754,,,0.0,,,,,,,,,,,,,,
CC(C)C(C(=O)NC(C)(C)C)N1C(=O)c2ccccc2C1=O,CID2887995,,,,,,,,,,0.0,,,,,,,
CC(=O)OCCCN1C(=O)c2ccc(Br)cc2C1=O,CID1637582,,,,,,,,,0.0,,,,,,,,0.0
CC(/C([O-])=C/[N+]#N)N1C(=O)c2ccccc2C1=O,CID5389082,,,,,,,,0.0,,,,,,,,,
CC(C)N1C(=O)c2ccc(C(=O)O)cc2C1=O,CID734424,,,,,,,0.0,0.0,,,,,,,,,
CCOC(=O)CN1C(=O)c2ccccc2C1=O,CID95202,,,,,,,,0.0,,,0.0,,,,,,
C=CCN(CC=C)C(=O)CN1C(=O)c2ccccc2C1=O,CID654183,,,0.0,,,,,,,,,,0.0,,,,0.0
N#[N+]/C=C(\[O-])CCCN1C(=O)c2ccccc2C1=O,CID5389087,,,,,,,0.0,,,,,,0.0,,,0.0,
COC(F)(C(=O)Nc1ccc2c(c1)C(=O)NC2=O)C(F)(F)F,CID605078,,,,,,,,,0.0,,,,,,,,
CN1C(=O)c2ccc(N(C)C)cc2C1=O,CID657642,,0.0,,,,,,,,,,,,,,,
CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O,CID876013,,,,,,,,,,0.0,,,,,,,
COCCCNC(=O)CN1C(=O)c2ccccc2C1=O,CID649107,,,,,,,,0.0,,,0.0,,,,,,
CCN1C(=O)c2ccc(C(=O)O)cc2C1=O,CID707457,,,0.0,,,,,,,,,,,,,,
CC(C)OC(=O)CCCN1C(=O)c2ccc(N)cc2C1=O,CID3241619,,,,0.0,,,0.0,0.0,,,,0.0,,,,,
Cc1cc(C(N)=O)c(-c2ccccc2)o1,CID791159,,,,,,0.0,,,,,,,,,,,
Cc1c(-c2ccc(C=O)o2)ccc([N+](=O)[O-])c1C,CID694393,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1cccc(-c2ccc(C=O)o2)c1,CID2060247,,,,,,,,,,,,,,0.0,,,
Cc1ccc(-c2ccc(/C=C(\C#N)C(N)=S)o2)c([N+](=O)[O-])c1,CID1583581,,,,,,,,,,,,,,0.0,,,
O=C(O)c1ccc(-c2ccccc2Cl)o1,CID784625,,,0.0,,,,,,,,,,,0.0,,,
CC(=O)Nc1ccccc1-c1ccc(C)o1,CID646782,,,,,,,,,0.0,,,,,,,,
CCOc1ccc(-c2ccc(C=O)o2)c([N+](=O)[O-])c1,CID802913,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(-c2cc(C(=O)NC(C(=O)O)C(C)C)c(C)o2)cc1OC,CID655924,,,,0.0,,,,,,0.0,0.0,,,,0.0,0.0,
Cc1ccc(-c2ccc(CCC(=O)O)o2)cc1,CID797772,,,,,,,,,0.0,,0.0,,,0.0,,,
O=C(O)c1ccc(-c2ccccc2C(F)(F)F)o1,CID647499,,,,0.0,,,,,,,,,,,,,0.0
CC(C)NC(=O)c1ccc(-c2ccccc2C(F)(F)F)o1,CID1249778,,,,,,,,,,,,,,,,0.0,
C=CCNC(=S)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1,CID1672419,,,,,,,,,,,,,,,0.0,,
O=Cc1ccc(-c2cccc(C(=O)O)c2)o1,CID612216,,,,,,,,,,,,,,0.0,,,
N#CC(C#N)=Cc1ccc(-c2ccccc2)o1,CID854401,,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2ccc(CO)o2)cc1,CID2882753,,,,,,0.0,,,,,,,,,,,
Cc1cc(C(=O)O)ccc1-c1ccc(CO)o1,CID894412,,,,,,,,,,,,,,0.0,,,
C=CCNC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1,CID2268638,,,,,,0.0,,,,,,,,,,,
NC(=S)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1,CID876323,,,,,,,,,,,,0.0,,,,,
CC(C)OC(=O)c1cccc(-c2ccc(C=O)o2)c1,CID806394,,,,,,,,,,,,,,0.0,,,
CNC(=S)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1,CID1227638,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1ccc(-c2ccc(CO)o2)cc1,CID900059,,,,,,0.0,,,,,,,,,0.0,,
CCN(CC)Cc1oc(-c2ccccc2)cc1C(=O)O,CID844978,,,,,,,,,,,,,,0.0,,,
O=C(O)CCc1ccc(-c2ccc(Br)cc2)o1,CID3244890,0.0,,,,,,0.0,,,,,,,,,,0.0
COc1cc(C)c(-c2cc(C(=O)O)c(C)o2)cc1C(C)C,CID974237,,,,,,,,0.0,0.0,,,,,0.0,,,
COC(=O)c1coc(-c2ccc(C)cc2)c1C(=O)OC,CID878695,,,,,,,,,0.0,,0.0,,,0.0,0.0,0.0,
COc1ccc(-c2ccc(CCC(=O)O)o2)cc1,CID798765,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccc(-c2ccccc2NC(=O)CCl)o1,CID921969,,,,,,0.0,,,,,,,,,,,
CCCOC(=O)c1cc(-c2ccc(C=O)o2)ccc1Cl,CID2271723,,,,,,,,,,,,,,0.0,,,
CC(C)(Oc1ccc(-c2ccco2)cc1)C(=O)O,CID878489,,,,,,,,,0.0,,,,0.0,0.0,,,
CNC(=O)/C(C#N)=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1,CID782463,,,,,,,,,,,,,,,0.0,,
Cc1oc(-c2ccccc2)cc1C(N)=O,CID760979,,,,0.0,,,,,,0.0,0.0,0.0,,,,,
O=C(O)CCc1ccc(-c2ccccc2)o1,CID593970,,,,0.0,,,,,0.0,,0.0,,,0.0,,,
NC(=O)c1ccc(-c2ccc(Br)cc2)o1,CID658747,0.0,,,,,,,,,,,0.0,,,,0.0,0.0
CC(=O)N(C(C)=O)c1ccc(-c2ccco2)cc1,CID3489202,,,,,,0.0,,,,,,,,,,,
OCCc1ccc(-c2ccc(Cl)cc2)o1,CID745896,,0.0,,,,,,,,0.0,,,,0.0,,,
COc1ccc(-c2cc(C(=O)O)c(C)o2)cc1OC,CID900796,,,,,,,,0.0,0.0,0.0,0.0,,0.0,0.0,0.0,,
COc1ccc(-c2occ(C(=O)O)c2C(=O)O)cc1,CID2264893,,,,,,,,,,,,,,0.0,,,
COCCNC(=O)/C(C#N)=C/c1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1,CID2274646,,,,,,,,,,,,,,,0.0,,
CC(=O)NC(=O)c1ccc(-c2ccc(Cl)cc2)o1,CID745870,,,,,,,,,,,,,,0.0,,,
COc1ccccc1-c1ccc(C(=O)O)o1,CID776315,,,,,,,0.0,,0.0,,,,0.0,0.0,,,
COC(=O)c1ccccc1-n1c(C)nc2ccccc2c1=O,CID16175,,,,,,,,,,,,0.0,0.0,,,,
CCOC(=O)c1cccc(-n2c(C)nc3ccccc3c2=O)c1,CID3242109,0.0,0.0,0.0,,,,,,,,0.0,,,,,0.0,
O=c1c2ccccc2ncn1-c1cccc(Cl)c1,CID322321,,,,,,,,,,0.0,,,,0.0,,,
COc1ccc(-n2c(SCC#N)nc3ccccc3c2=O)cc1,CID1973768,,0.0,,,0.0,,0.0,0.0,,0.0,,0.0,0.0,,,0.0,0.0
N#CCSc1nc2ccccc2c(=O)n1-c1ccccc1,CID1815493,,,,,,,0.0,,,,,0.0,0.0,,,,0.0
CCNC(=O)CSc1nc2ccccc2c(=O)n1-c1cc(OC)ccc1OC,CID2428020,,,,,,,,,,,0.0,,,,,,
COc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1,CID848583,,,,,,,,,,,,,,0.0,,,
CCCCCc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1[N+](=O)[O-],CID2215010,,,,,,0.0,,,,,,,,,,,
CCCc1nc2ccccc2c(=O)n1-c1ccccc1OC,CID659791,0.0,,,0.0,0.0,,0.0,,,,,,,0.0,,,
COc1ccc(-n2c(SC)nc3ccccc3c2=O)cc1,CID659793,0.0,,,,,0.0,,0.0,,,,0.0,,,0.0,,
CCOC(=O)c1ccc(-n2c(CC)nc3ccccc3c2=O)cc1,CID948855,,,,,,,,,,,,,,0.0,,,
CN(C)C(=O)c1ccc(-n2cnc3ccccc3c2=O)cc1,CID2227094,,,,,,,,,,,,,,0.0,,,
COCCNC(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(OC)c1,CID2595562,,,0.0,,,,0.0,,,,,,,,,0.0,0.0
COC(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1,CID742737,,,,,,,,,,,0.0,,,,0.0,,
CCCNC(=O)NC(=O)CSc1nc2cc(C(=O)OC)ccc2c(=O)n1-c1ccccc1,CID2575010,,,,,,,,,,,,0.0,,,,,
CCCc1nc2ccccc2c(=O)n1-c1ccc(OC)cc1,CID828252,,,,,,,,,,,,0.0,,0.0,,,
CCCc1nc2ccccc2c(=O)n1-c1cccc(OC)c1,CID849342,,,,,0.0,0.0,0.0,0.0,,,,,0.0,,,,
CCc1nc2ccccc2c(=O)n1-c1ccccc1[N+](=O)[O-],CID711369,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1nc2ccccc2c(=O)n1-c1ccc(C)cc1C,CID827716,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1nc2ccccc2c(=O)n1-c1cccc(C)c1,CID827714,,,,,,,,,,,,,,0.0,0.0,,
CCOC(=O)c1nc2ccccc2c(=O)n1-c1ccc(C)cc1,CID827715,,,,,,,,,,,,,,,0.0,,
Cc1ccc(-n2c(C)nc3ccccc3c2=O)cc1C,CID1076028,,,,,,,,,,,,,,0.0,,,
Cc1nc2ccccc2c(=O)n1-c1ccc(F)cc1,CID63367,,,,0.0,,,0.0,,,,,,,,,,
Cc1nc2ccccc2c(=O)n1-c1ccccc1[N+](=O)[O-],CID63364,,,,,,,,,,,,,,0.0,0.0,,
CCOC(=O)c1ccc(-n2c(CN(CC)CC)nc3ccc([N+](=O)[O-])cc3c2=O)cc1,CID16193017,,,,,,,,,,,,,,,0.0,,
Cc1ccccc1-n1c(C)nc2ccccc2c1=O,CID6292,,,,,,,,,,,,,,0.0,,,
COc1cccc(-n2c(SCC(N)=O)nc3ccccc3c2=O)c1,CID860123,,,,,,,,,,,,,,0.0,,,
COc1cccc(-n2c(C)nc3ccccc3c2=O)c1,CID657815,0.0,,0.0,,0.0,,,0.0,0.0,0.0,,,,0.0,,,
COC(=O)c1cc(OC)c(OC)cc1-n1cnc2cc(OC)c(OC)cc2c1=O,CID1076254,,,,,,0.0,,0.0,,,0.0,,,,,,
CCc1nc2ccccc2c(=O)n1-c1cccc(OC)c1,CID647819,,,,,0.0,,,,0.0,0.0,,,,0.0,,,
CC(C#N)Sc1nc2ccccc2c(=O)n1-c1ccccc1,CID2998347,,0.0,,,,,,0.0,0.0,,0.0,,,,,,0.0
Cc1nc2ccccc2c(=O)n1-c1cccc(O)c1,CID711026,,,,,0.0,,,,,0.0,,0.0,,,,0.0,
CCCCc1nc2ccccc2c(=O)n1-c1ccccc1O,CID659271,0.0,,,,0.0,0.0,0.0,,,,,,,0.0,,,
CCOc1ccccc1-n1c(SCC(N)=O)nc2ccccc2c1=O,CID654165,,0.0,,,0.0,,0.0,,0.0,,,,,0.0,,0.0,
CCOC(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1,CID744635,0.0,,0.0,,,0.0,0.0,,0.0,,,,0.0,,,,
CCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(OC)c1,CID1073127,,,,,,,,0.0,,,,,0.0,,,,0.0
CCOc1ccc(-n2c(CC)nc3ccccc3c2=O)cc1,CID724183,0.0,,0.0,,0.0,,0.0,,0.0,,,,,0.0,,0.0,
CNC(=O)NC(=O)CSc1nc2cc(C(=O)OC)ccc2c(=O)n1-c1ccccc1,CID2574964,,,,,,,,,0.0,,,,,,,0.0,
Cc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1[N+](=O)[O-],CID973017,,,,,,,,,,,,,,0.0,,,
CCCCc1nc2ccccc2c(=O)n1-c1ccc(O)cc1,CID1916531,0.0,,,,0.0,,0.0,,,,,0.0,,0.0,,,0.0
NC(=O)c1ccccc1NC(=O)/C=C/c1cccc(Cl)c1,CID898839,,,,,,,,,,,,,,0.0,,,
COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)O)cc1OC,CID5282230,,0.0,,,,,,0.0,,,,,,,,,
N#C/C(=C/c1ccc(O)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1,CID2208596,,,,,,,,,,,,,,0.0,,,
CC(C)NC(=O)c1ccccc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1,CID1306789,,,,,,0.0,,,,,,,,,,,
COc1ccc(/C=C/C(=O)Nc2ccccc2)cc1OC,CID923600,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccccc1NC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1,CID1655911,,,,,,,,,,,0.0,,,,,,
O=C(/C=C/c1ccccc1)Nc1ccccc1CO,CID874915,,,,,,0.0,,,,,,,,,,,
COc1ccc(/C=C/C(=O)Nc2cccc(C(C)=O)c2)cc1,CID880390,,,,,,,,,,,,,,,0.0,,
O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(F)c([N+](=O)[O-])c1,CID875220,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC(=O)/C=C/c2cc(Br)ccc2OC)cc1,CID1344312,,,,,,,,,,,,0.0,,,,,
CCOc1ccc(/C=C/C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1,CID5711148,,,,,,0.0,,,,,,0.0,,,,,
CCN(CC)S(=O)(=O)c1cccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1,CID15945355,,,,,,,,,,,,,,,0.0,,
COC(=O)c1cc(NC(=O)/C=C/c2ccc(OC)cc2)cc(C(=O)OC)c1,CID1334878,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1ccccc1NC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1,CID5505289,,,,,,0.0,,,,,,0.0,,,,,
O=C(/C=C/c1cc([N+](=O)[O-])ccc1OC(F)F)Nc1ccc(OC(F)F)cc1,CID2323614,,,,,,,,,,,,,,0.0,,,
CC(=O)Nc1ccccc1NC(=O)/C=C/c1ccccc1,CID875192,,,,,,0.0,,,,,,,,,,,
COC(=O)c1cccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1,CID692360,,,,,,0.0,,,,,,,,,0.0,,
COc1ccc(/C=C/C(=O)N(C)c2ccccc2C(=O)O)cc1,CID2348079,,,,,,,,,,,,,,,0.0,,
COc1cc(/C=C/C(=O)N(C)c2ccccc2C(=O)O)cc(OC)c1OC,CID2348083,,,,,,,,,,,0.0,,,,0.0,,
CCS(=O)(=O)c1ccc(O)c(NC(=O)/C=C/c2ccccc2)c1,CID732138,,,,,,,,,,,,,,0.0,0.0,,
CSc1cccc(NC(=O)/C=C/c2ccc(Cl)cc2)c1,CID892765,,,,,,,,,,,,,,0.0,,,
O=C(/C=C/c1ccccc1)Nc1cccc(F)c1,CID727184,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(/C=C/C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC,CID1193288,,,,,,0.0,,,,,,,,,,,
COc1ccccc1/C=C/C(=O)Nc1cccc(C(C)=O)c1,CID1326584,,,,,,,,,,,,,,0.0,,,
CCCOc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1,CID5711456,,,,,,,,,,,,0.0,,,,,
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1C(=O)O,CID829849,,,,,,,,,,,,,,0.0,,,
NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1,CID891140,,,,,,,,,,,,,,0.0,,,
CCCOc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1OC,CID5711438,,,,,,0.0,,,,,,,,,,,
COC(=O)c1cccc(NC(=O)/C=C/c2ccccc2)c1,CID732141,,,,,,0.0,,,,,,,,,,,
COC(=O)c1ccccc1NC(=O)/C=C/c1ccccc1,CID732144,,,,,,0.0,,,,,,,,,,,
Cc1ccc(NC(=O)/C(Cl)=C/c2ccccc2)cc1C,CID686993,,,,,,,,,,,,,,0.0,,,
COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CID1070922,,,,,,,,,,,,,,,0.0,,
COc1ccc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc1C(=O)O,CID2263138,,,,,,,,,,,,,,0.0,,,
COc1ccc(/C=C/C(=O)Nc2cc(C)ccc2C)cc1,CID668252,,,,,,0.0,,,,,,,,,,,
COc1ccc(Br)cc1/C=C/C(=O)Nc1c(C)cccc1C,CID1363311,,,,,,,,,,,,0.0,,,,,
COc1ccc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])c(OC)c1,CID891018,,,,,,,,,,,,,,,0.0,,
CN(C)c1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1,CID723732,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1,CID874783,,,,,,0.0,,,,,,,,,,,
N#C/C(=C/c1ccc(C(=O)O)cc1)C(=O)Nc1ccccc1,CID1924999,,,,,,,,,,,,,,0.0,0.0,,
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1O,CID1271399,,,,,,,,,,,,0.0,,,,,
CC(=O)Nc1cccc(C(=O)Nc2cccnc2)c1,CID2569895,,,,,,,,,,,,,,0.0,,,
CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccnc2)ccc1Cl,CID2336741,,,,,,,,,,,,0.0,,,,,
CCOc1cccc(C(=O)Nc2cccnc2)c1,CID795012,,,0.0,,,0.0,,,,0.0,,,0.0,,,0.0,
CCCOc1cccc(C(=O)Nc2cccnc2)c1,CID2292827,,,0.0,0.0,0.0,,0.0,0.0,0.0,,,,0.0,,,0.0,
COc1ccc(C(=O)Nc2cccnc2)cc1,CID327121,,,,,,,,,,0.0,,0.0,,,,,
CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cccnc2)c1,CID740910,0.0,,,0.0,,,,,0.0,0.0,,,,,,,
CN(c1ccc(C(=O)Nc2cccnc2)cc1)S(C)(=O)=O,CID900526,,,,,,,,,0.0,0.0,,0.0,,,,,0.0
CN(c1ccccc1C(=O)Nc1cccnc1)S(C)(=O)=O,CID958653,,,,0.0,,,,0.0,0.0,0.0,,0.0,,,,0.0,0.0
Cc1cc(NC(=O)C(C)C)ncc1NC(=O)c1cccc(F)c1,CID656003,,,,,,,,,,,,0.0,0.0,,,,
CN(C)S(=O)(=O)c1cccc(C(=O)Nc2cccnc2)c1,CID1262811,,,,0.0,,,,,0.0,0.0,,0.0,0.0,,,0.0,
CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1,CID1231064,,,,,,0.0,,,0.0,,0.0,,,,,,
COc1cccc(C(=O)Nc2cccnc2)c1,CID777049,,,,,,,,,,,,0.0,,,,,
COc1cccc(C(=O)Nc2ccc(NC(=O)C(C)C)nc2)c1,CID652539,0.0,,0.0,0.0,,0.0,,0.0,,,,0.0,0.0,,,,
CC(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1,CID654326,,,,0.0,,,,,0.0,,,0.0,0.0,0.0,0.0,,
CCCC(=O)Nc1ccc(NC(=O)c2ccccc2OC)cn1,CID645634,,0.0,0.0,,,,,,0.0,,,,0.0,,,,
CC(C)(C)C(=O)Nc1ccccc1C(=O)Nc1cccnc1,CID777760,,,,,,0.0,,0.0,0.0,,,,,,,,
CCCCC(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1,CID2210459,,,,,,0.0,,,0.0,,,,,,,,
CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccnc2)cc1,CID2568809,,,,,,,,,0.0,0.0,,0.0,,,,,
COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cn1,CID709437,,,0.0,,,,,,,,0.0,,0.0,,,0.0,
CCOc1cc(OCC)cc(C(=O)Nc2cccnc2)c1,CID648005,,,,,0.0,,0.0,,,,0.0,,0.0,,,,0.0
CCCCC(=O)Nc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cn1,CID646244,,,0.0,0.0,,0.0,0.0,,,,,,,,,,
COc1ccc(C(=O)Nc2cccnc2)cc1OC,CID766326,,,,,,,,,0.0,0.0,,0.0,,,0.0,,
CCOC(=O)c1cncc(NC(=O)c2ccccc2)c1,CID657658,,,0.0,0.0,,0.0,,0.0,,,,,,,,,
O=C(Nc1cccnc1)c1c(F)cccc1F,CID723403,,,,0.0,,,,,,0.0,,,,,,,0.0
Cc1cc(C)c(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c(C)n1,CID1251861,,0.0,,0.0,,,0.0,,0.0,,,,,,,,
O=C(Nc1cccnc1)c1ccc(COCC(F)(F)F)cc1,CID893036,,,,0.0,,,,,0.0,,,,,,,,0.0
O=C(Nc1cccnc1)c1ccc([N+](=O)[O-])cc1Cl,CID759233,,,,,,,,,,,,,,,0.0,,
CCCCC(=O)Nc1ccc(NC(=O)c2ccccc2OC)cn1,CID655705,0.0,0.0,,0.0,0.0,,,,0.0,,,,0.0,,,,
O=C(Nc1cccnc1)c1c(F)c(F)c(F)c(F)c1F,CID2292988,,,,,,,,,0.0,,,0.0,,,,,0.0
O=C(Nc1cccnc1)c1ccccc1F,CID677046,,,,,,,,0.0,,0.0,,,,,,,
CC(C)C(=O)Nc1ccc(NC(=O)c2cccc(F)c2)cn1,CID644504,,,,0.0,,,,,,,,,0.0,,,,
COc1ccc(C(=O)Nc2ccc(NC(=O)C(C)C)nc2)cc1,CID1452856,,,,,,,,,,,,,,,0.0,,
CCSc1ccccc1C(=O)Nc1cccnc1,CID971364,,0.0,0.0,,0.0,,,,,,,0.0,0.0,,,,
CCC(=O)Nc1cc(C)c(NC(=O)c2ccccc2OC)cn1,CID644882,0.0,,0.0,,,,,,0.0,,,0.0,,,,,
COc1cc(C(=O)Nc2cnc(NC(=O)C(C)C)cc2C)cc(OC)c1OC,CID648353,,,0.0,,,,,,0.0,,,,,,,,
CCOc1ccc(C(=O)Nc2cccnc2)cc1Br,CID3239424,0.0,,,,,,,,0.0,,,0.0,,,,0.0,0.0
CCCC(=O)Nc1ccc(NC(=O)c2cccc(F)c2)cn1,CID644579,,,,,,,,,,,,,0.0,,,,
COc1cc(C(=O)Nc2ccc(NC(=O)C(C)C)nc2)cc(OC)c1OC,CID654653,,0.0,0.0,,,,,0.0,0.0,,,,,,,,
CCC(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1,CID891012,,0.0,,,,,,0.0,,,,,,,,,
CS(=O)(=O)N(CC(N)=O)c1ccc2c(c1)OCO2,CID966831,,,0.0,,,,0.0,,,,,0.0,,,,,
CCOC(=O)NCc1ccc2c(c1)OCO2,CID606519,,,0.0,,,,0.0,,,,,,,,,0.0,
CCOC(=O)C(NCc1ccc2c(c1)OCO2)(NC(=O)CC)C(F)(F)F,CID658657,,,,,,,,,,,,,,,,,0.0
CN(C)S(=O)(=O)NCc1ccc2c(c1)OCO2,CID2904922,,,,0.0,0.0,,0.0,,,0.0,0.0,,,,,,
CCOC(=O)NC1(NC(C)C)Oc2ccccc2O1,CID1540603,,,,,,,,,,0.0,,,,,,,
CCCN(CCC)C(=O)c1ccc2c(c1)OCO2,CID840102,,,,,,,,,,,0.0,,,,,,
CCOCC(=O)NCc1ccc2c(c1)OCO2,CID2162754,,,,,,,,,,0.0,0.0,,,,,0.0,
COCCCNC(=O)c1ccc2c(c1)OCO2,CID644646,,0.0,,,,,,0.0,,0.0,,,0.0,,,0.0,
CCOC(=O)Nc1cc2c(cc1C(C)=O)OCO2,CID713232,,0.0,0.0,,,,,,,0.0,,,,,,0.0,
CC(C)=CC(=O)Nc1ccc2c(c1)OCO2,CID731807,,,,,,,,0.0,,,,,0.0,,,,
CC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1ccc2c(c1)OCO2,CID4377888,,,,,,,,,0.0,,,,,,,,
CNC(=S)NC(CC(=O)OC)c1ccc2c(c1)OCO2,CID3548628,,,,,,,,,,,,,,,0.0,,
COCC(=O)NCc1ccc2c(c1)OCO2,CID885668,,,,,,,,,,0.0,,0.0,0.0,,,0.0,
CCCC(C)C(=O)NCc1ccc2c(c1)OCO2,CID2904256,,,,,,,,,,,,,,,0.0,,
CN(C)S(=O)(=O)Nc1ccc2c(c1)OCO2,CID853738,,,,,0.0,,,,,,,,,,,,
COC(=O)CSCC(=O)Nc1cc2c(cc1C(C)=O)OCO2,CID662964,,0.0,,,,,,,,,,,,,,,
CCCCC(CC)CNC(=O)c1ccc2c(c1)OCO2,CID2915932,,0.0,,,,0.0,,0.0,,,,0.0,,,,0.0,
COCCNC(=O)C(=O)N/N=C(\C)CC(=O)Nc1ccc2c(c1)OCO2,CID3108590,,,,,,,,,,,,,,,0.0,,
CN(C)CCCNC(=O)/C=C/c1ccc2c(c1)OCO2,CID1943061,,,,,,,,,,,,,,0.0,,,
CCCCOCCCNC(=O)c1ccc2c(c1)OCO2,CID2290503,,,,,,0.0,,0.0,,0.0,,,0.0,,,0.0,
CCOC(=O)CNc1ccc2c(c1)OCO2,CID745625,,,,,,,,,,,,,,,,0.0,
O=C(CCl)Nc1ccc2c(c1)OCO2,CID735851,,,,,,,,,,,,,,0.0,,,
CC(=O)OCC(=O)NCc1ccc2c(c1)OCO2,CID2997588,,,,,,,,,,,,,,,,0.0,
CCOCCCNC(=O)c1ccc2c(c1)OCO2,CID2178964,,,,,,,,,,,,,,,,0.0,
NCC(O)COc1ccc2c(c1)OCO2,CID2770892,,,,,0.0,,,,,,,,,,,,
COCCNC(=O)NC1(C(F)(F)F)Oc2ccc(Cl)cc2O1,CID3242697,,,,,,,,,0.0,,,,,,,,
CC(/C=N/O)Cc1ccc2c(c1)OCO2,CID3241184,,,0.0,0.0,,,,0.0,,,,,,,,0.0,
COC(=O)Nc1ccc2c(c1)OCO2,CID903440,,,,,,,,,,,0.0,,,,,,
CCCNC(=O)/C=C/c1ccc2c(c1)OCO2,CID2271241,,,,,,0.0,,,,,,,,,,,
N#CCCN(CCC#N)C(=O)c1ccc2c(c1)OCO2,CID2207757,,,,,,,,0.0,,,,,0.0,,,,
CS(=O)(=O)N(CC(=O)O)c1ccc2c(c1)OCO2,CID1252713,,,,,,,,,,,,,,0.0,,0.0,
CCOC(=O)N/N=C/C=C/c1ccc2c(c1)OCO2,CID12004747,,,,,,,,,,,,,,,0.0,,
COc1cc2c(cc1C=O)OCO2,CID601861,,,,,,,,,,,,,,,0.0,,
CN(C)CC(C)(C)CNC(=S)NCc1ccc2c(c1)OCO2,CID2483550,,,,,,,,,,,,,,0.0,,,
CCC(NC(=O)NCc1ccc2c(c1)OCO2)(C(F)(F)F)C(F)(F)F,CID1243155,,,,,,,,,0.0,,,,,,,,0.0
CC(=O)c1cc2c(cc1NC(=O)CCCC(=O)O)OCO2,CID842004,,0.0,,,,,,,,,,,,0.0,,,
CC1(C)Oc2cc(N)c([N+](=O)[O-])cc2O1,CID3357995,,,,,,0.0,,,,,,,,,0.0,,
CC(=O)c1cc2c(cc1N)OCO2,CID120000,,0.0,,,,,,,,,,,,,,,
CC(=O)N/C(=C/c1ccc2c(c1)OCO2)C(=O)NCCCO,CID1603741,,,,,,,,,,,,,,,0.0,,
O=C(O)c1cccc(Cn2cccn2)c1,CID1263648,,,,,,,,,,,,,0.0,,,,0.0
NC(=O)c1cnn(Cc2ccc(Cl)cc2)c1N,CID645661,0.0,0.0,,,,,,,,,,,0.0,,,,
CCOC(=O)c1cnn(Cc2ccccc2)c1N,CID785810,,,,,,,,,,,,,,0.0,,,
CC(=O)Nc1cnn(Cc2ccc(Br)cc2)c1,CID1246322,0.0,,,,,,0.0,,0.0,,0.0,0.0,,,0.0,,0.0
COC(=O)Nc1nn(Cc2ccccc2F)cc1Br,CID1246021,0.0,,,,,,,,0.0,,0.0,0.0,,,0.0,0.0,
Cc1cnn(Cc2ccccc2)c1N,CID649067,,,,0.0,,,,0.0,,,,,,,,,
CCOC(=O)c1c(C)nn(Cc2ccccc2)c1N,CID692341,,,0.0,0.0,,,0.0,,,,,,,,,0.0,
CC(=O)Nc1ccn(Cc2c(F)cccc2Cl)n1,CID1247534,,0.0,,,,,0.0,,,,,,,,,0.0,0.0
CCCNC(=O)c1cccc(Cn2nc(C)c(Br)c2C)c1,CID658373,0.0,,,,,,,,0.0,,0.0,,,,0.0,,0.0
Cc1cc(C)n(Cc2ccccc2Cl)n1,CID661809,,,,,,,0.0,,,0.0,,,,,0.0,0.0,0.0
Cc1nn(Cc2ccccc2)c(C)c1CCC(=O)O,CID783977,,,,,,,,0.0,0.0,,,0.0,,,,0.0,
Cc1ccc(Cn2nc(C)c(C=O)c2Cl)cc1,CID2113977,,,,,,,,,,,,,,0.0,,,
CC(=O)Nc1cccc(Cn2cccn2)c1,CID1244086,,,,,,,0.0,0.0,,,,,,,,,
COC(=O)c1ccc(Cn2nc(C)c(Br)c2C)cc1,CID627975,0.0,,,,,,0.0,,0.0,,,0.0,,,0.0,,0.0
Cc1cc(C)n(Cc2ccc(C(=O)O)cc2)n1,CID615212,,,,,,0.0,,,0.0,,,,,0.0,,,
CC(C)NC(=O)c1cccc(Cn2cc(Cl)cn2)c1,CID658362,0.0,,0.0,0.0,,,0.0,,,,,,0.0,,0.0,,0.0
O=C(O)c1cccc(Cn2cc(Br)cn2)c1,CID661034,0.0,,,,,,0.0,,0.0,,,0.0,,,,,0.0
N#Cc1cnn(Cc2ccc(Cl)cc2)c1N,CID815333,0.0,0.0,,,,,0.0,,,,,,,,,,
COc1ccc(C(C)=O)cc1Cn1nc(C)c([N+](=O)[O-])c1C,CID2563970,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1cnn(Cc2cccc(Cl)c2)c1C,CID684584,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccc(Cn2nc(C)cc2C)cc1,CID1485771,,,,,,,,,0.0,0.0,,,,0.0,,,
COC(=O)c1cc(C(=O)OC)n(Cc2ccc(Br)cc2)n1,CID1251735,,,,,,,,,0.0,,0.0,,,,0.0,,
Cc1nn(Cc2cccc(C(=O)NCC(C)C)c2)c(C)c1Br,CID1222403,,,,,,,,,0.0,,0.0,0.0,,,0.0,,
COc1ccc(Cn2nc(C)cc2C)cc1OC,CID658725,,,,,,0.0,,0.0,0.0,,,,0.0,,,0.0,
N#Cc1cnn(Cc2ccccc2)c1N,CID660147,,,,0.0,,,,0.0,,,,0.0,0.0,,,,0.0
COC(=O)c1cc(C(=O)OC)n(Cc2ccc(F)cc2)n1,CID1251544,,,,,,,,0.0,,,,,,,,,0.0
CCOC(=O)c1c(C)nn(Cc2cccc(Cl)c2)c1N,CID2864438,0.0,0.0,,0.0,,,0.0,,,0.0,,,,,0.0,0.0,0.0
CCCNC(=O)c1cccc(Cn2cc(Br)c([N+](=O)[O-])n2)c1,CID1757646,,,,,,,,,,,,,,,0.0,,
Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1N,CID1226007,,,,,,,,,,,,,,,0.0,,
CC(C)CNC(=O)c1cccc(Cn2cc(Cl)cn2)c1,CID3238106,0.0,0.0,,0.0,,,,,,,,,0.0,,,,
COC(=O)c1ccc(Cn2cc(Cl)cn2)cc1,CID646984,,,,,,,,,,0.0,,,,,,0.0,0.0
O=C(O)c1cccc(Cn2cc(Cl)cn2)c1,CID585566,,,,,,,,,,,,,0.0,0.0,,0.0,0.0
O=C(O)c1ccc(Cn2cc(Cl)cn2)cc1,CID585564,,,,,,,0.0,,,,,,,,0.0,0.0,
COC(=O)c1cc(C(=O)OC)n(Cc2ccc(Cl)cc2Cl)n1,CID2231292,,,,,,,,,,,,,,,0.0,,
Cc1nn(Cc2ccccc2)c(C)c1NC(=O)CCC(=O)O,CID3244050,,0.0,,,,,,,,,,,,,,,
COC(=O)Nc1c(C)nn(Cc2ccccc2C)c1C,CID1245305,0.0,,,,,,0.0,,,0.0,,,,,,0.0,0.0
Cc1nn(Cc2ccccc2Cl)c(C)c1N,CID608335,0.0,0.0,,,,,0.0,,,,,,,,,,0.0
NNC(=O)c1cnn(Cc2ccccc2)c1N,CID781738,,,,,,,,,,0.0,,,,,,,
Cc1nn(Cc2ccccc2)c(N)c1C#N,CID683821,,0.0,,0.0,,,0.0,0.0,,,,,,,,,
CCCCCOc1ccc(C2C(C(C)=O)=C(C)N=C3N=CNN32)cc1OC,CID5711742,,,0.0,,,,,0.0,,,,,,,,,
C=CCOC(=O)C1=C(C)N=C2N=CNN2C1c1cc(Br)ccc1F,CID5771395,,,,,,,,,,,,0.0,,,,,
CCCCOC(=O)C1=C(C)N=C2N=CNN2C1c1ccc(OC)c(OC)c1OC,CID5771398,,,,0.0,,,,,,,,,,,,,
CCCC1=C(C(=O)OCC)C(c2ccc(O)cc2)N2NC=NC2=N1,CID5742067,,,,,,,,0.0,,0.0,,,,,,,
COc1cc(C2C(C(C)=O)=C(C)N=C3N=CNN32)ccc1O,CID5707702,,,,,,,0.0,,,,,,0.0,,,,
CCCCOC(=O)C1=C(C)N=C2N=CNN2C1c1cccc(OC)c1,CID5771427,,,,0.0,,,,,,,,,,,,,
CCOC(=O)C1=C(C)N=C2N=CNN2C1c1ccccc1F,CID5771330,,,0.0,,,,,0.0,,,,,,,,,
COc1cc(C2C(C(=O)OC(C)C)=C(C)N=C3N=CNN32)cc(OC)c1OC,CID5308532,0.0,,,0.0,,,,0.0,,,,,,,,0.0,
CCOC(=O)C1=C(C)N=C2N=C(SC)NN2C1c1ccc(C(=O)OC)cc1,CID5771277,,,,,,0.0,0.0,0.0,,,,,,,,,
CC1=C(C(N)=O)C(c2ccc(Cl)cc2Cl)N2NC=NC2=N1,CID5711666,,,,,,,,,0.0,,,,,,,,
CCOC(=O)C1=C(C)N=C2N=C(C)NN2C1c1ccc(C)cc1,CID5308037,,,,,,,,0.0,,,,,,,,0.0,
CCCCOC(=O)C1=C(C)N=C2N=CNN2C1c1cc(OC)c(OC)cc1OC,CID5771412,,,,,,,,,,,0.0,,,,,,
COc1ccccc1C1C(C(N)=O)=C(C)N=C2N=CNN21,CID5711672,,,0.0,,,,,,,,,,,,,,
COc1ccc(C2C(C(N)=O)=C(C)N=C3N=CNN32)cc1,CID5711671,,,,,,,,,,,,,,0.0,,,
COc1ccc(C2C=C(C)N=C3N=C(SC)NN32)cc1,CID5771307,,,,,,,,,,0.0,,,,,,,
CC1=C(C(=O)OC(C)C)C(c2cccc(F)c2)N2NC=NC2=N1,CID5307963,,,,,,,,0.0,,,,,,,,,
CCOc1ccccc1C1C(C(N)=O)=C(C)N=C2N=C(CCCO)NN21,CID5307109,,,0.0,,,,,,0.0,,,,,,,0.0,
COC(=O)c1ccc(C2C(C(C)=O)=C(C)N=C3N=CNN32)cc1,CID5309005,,,,0.0,,,0.0,,0.0,,0.0,,0.0,,,0.0,
CCOC(=O)C1=C(C)N=C2N=C(C)NN2C1c1ccc(OC)c(OC)c1,CID5308226,0.0,,,,,,,,,,,,,,,0.0,
CC(=O)C1=C(C)N=C2N=CNN2C1c1ccccc1Cl,CID5771372,,,,,,,,,,,,,,,0.0,,
CC(=O)C1=C(C)N=C2N=CNN2C1c1ccc(Cl)cc1,CID5733916,,,,0.0,,,,,,,,,,,,,
CCOC(=O)C1=C(C)N=C2N=C(C)NN2C1c1cc(OC)ccc1OC,CID5308407,0.0,,0.0,0.0,,,,,,,0.0,,,,,0.0,
CCOC(=O)C1=C(C)N=C2N=CNN2C1c1cc(OC)ccc1OC,CID5310719,,,,,,,0.0,,,,,,,,,,0.0
COCCOC(=O)C1=C(C)N=C2N=C(C)NN2C1c1ccc(F)cc1,CID5390041,,,,,,0.0,,,,,,0.0,,0.0,,,
COCCOC(=O)C1=C(C)N=C2N=C(C)NN2C1c1ccccc1,CID5390030,,,,,,0.0,,,,,,0.0,0.0,,,,
COc1cccc(C2C(C(=O)OC(C)C)=C(C)N=C3N=CNN32)c1,CID5711596,,,0.0,,,0.0,,,,,,,,,,,
CCCC1=C(C(=O)OCC)C(c2ccc(N(C)C)cc2)N2NC=NC2=N1,CID5390064,,,,0.0,,0.0,,0.0,,,,,0.0,,,,0.0
CC1=C(N=O)C(c2ccccc2)N2NC=NC2=N1,CID5742449,,,0.0,,,,,,,,,,,,,,
COCCOC(=O)C1=C(C)N=C2N=CNN2C1c1ccccc1,CID5390092,,,,,,,,,,,,,0.0,,,,
CCOC(=O)C1=C(C)N=C2N=C(SCC(=O)OC)NN2C1c1cc(F)cc(F)c1,CID5390068,,,,,,,0.0,,,,,,,,,,
COc1cccc(C2C(C(N)=O)=C(C)N=C3N=C(CCCO)NN32)c1OC,CID5309763,,,,,,,0.0,,,,,,,,,0.0,
CCOC(=O)C1=C(C)N=C2N=C(C)NN2C1c1ccc(OCC)c(OC)c1,CID5307996,,,0.0,,,,,0.0,0.0,,,,0.0,,,0.0,
CCCCOC(=O)C1=C(C)N=C2N=CNN2C1c1cc(OC)ccc1OC,CID5771488,,,,,,,,,,,,,,,,,0.0
CCCC1=C(C(=O)OCC)C(c2ccc(F)cc2)N2NC=NC2=N1,CID5301543,,,,,,,,,,,,,,,,0.0,
COc1ccc(C2C(C(C)=O)=C(C)N=C3N=CNN32)cc1OC,CID5734427,,,,0.0,,,,0.0,,,,,,,,,
COCCOC(=O)C1=C(C)N=C2N=CNN2C1c1ccc(F)cc1,CID5390019,,,,,,,0.0,0.0,,,,,,,0.0,,
CCCCOC(=O)C1=C(C)N=C2N=CNN2C1c1ccc(OC)c(OC)c1,CID5771426,,0.0,,,,0.0,,,,0.0,,,,,,,
CCCCOC(=O)C1=C(C)N=C2N=CNN2C1c1ccc(OCC)c(OC)c1,CID5771436,,,,0.0,,0.0,,,,,,,,,,,
CCCCOC(=O)c1ccc(NC(=O)c2ccoc2C)cc1,CID2163924,,,,,,,0.0,,0.0,,,,0.0,0.0,,,0.0
Cc1occc1C(=O)Nc1ccccc1C(=O)O,CID2225645,,,,0.0,,0.0,,0.0,0.0,,,,,0.0,,,
CCOC(=O)c1cocc1C(=O)Nc1ccccc1C(=O)O,CID1102123,,,,,,0.0,,,,,,,,,,,
CCCOC(=O)c1ccc(NC(=O)c2ccoc2C)cc1,CID2165163,,,0.0,,,,,,,,,,,,,0.0,0.0
COc1cc(OC)c(NC(=O)c2ccoc2C)cc1Cl,CID1244294,0.0,,,,,,0.0,,,,,,,,,,
CCc1ccccc1NC(=O)c1ccoc1C,CID844353,,,,,,,0.0,,0.0,,0.0,,0.0,,,,
COc1ccc(Cl)cc1NC(=O)c1ccoc1C,CID844961,0.0,,,,,,,,0.0,,,,,,,,
Cc1occc1C(=O)Nc1c(F)cc(F)cc1Br,CID1246379,0.0,,,,,,0.0,,,,,,,,,,
CCc1cccc(C)c1NC(=O)c1cc(C)oc1C,CID1247244,,,,,,,0.0,0.0,0.0,0.0,0.0,,,,0.0,0.0,
Cc1oc(C(C)(C)C)cc1C(=O)Nc1ccc(C(=O)O)cc1,CID703762,,,0.0,,,,,,0.0,,,,0.0,,,,
Cc1cc(C(=O)Nc2cccc(C(=O)O)c2)c(C)o1,CID798035,,,,,,,,,,,,,,,0.0,,
Cc1ccc(NC(=O)c2ccoc2C)cc1C,CID897154,,,,,,,,,,,,,,0.0,,,
Cc1occc1C(=O)Nc1ccc(Br)cc1F,CID831630,,,,,,,,,,,,0.0,,,,,
Cc1cc(C(=O)Nc2cccc(O)c2)co1,CID877422,,,,,0.0,,,0.0,,,,,,,,,
Cc1oc(CC(C)C)cc1C(=O)Nc1ccc(C(=O)O)cc1,CID844976,,,,,,,,,,,0.0,,,,0.0,,
Cc1cc(C(=O)Nc2cccc(O)c2)c(C)o1,CID652108,,,,0.0,0.0,,0.0,0.0,,0.0,,,,,,,
CCOc1ccccc1NC(=O)c1cc(CC(C)C)oc1C,CID705284,,,,,,,0.0,,,,,,,,,0.0,
COC(=O)c1cc(NC(=O)c2cc(C)oc2C)cc(C(=O)OC)c1,CID1225247,,,,,,,,,,0.0,0.0,0.0,,,0.0,,
CCOc1ccccc1NC(=O)c1ccoc1C,CID887895,,,,,,,,,0.0,,0.0,,,,,,
Cc1occc1C(=O)Nc1cccc([N+](=O)[O-])c1,CID897753,,,,,,,,,,,,,,,0.0,,
Cc1cc(C(=O)Nc2c(F)cc(F)cc2Br)c(C)o1,CID2534327,0.0,,,,,,,,0.0,,,,,,,,0.0
Cc1oc(C(C)(C)C)cc1C(=O)Nc1cccc(C(=O)O)c1,CID778319,,,,,,,,,0.0,,,,,,0.0,,
CSc1ccccc1NC(=O)c1ccoc1C,CID1243990,,,,,0.0,,,,,,,,,,,,
COC(=O)c1cc(NC(=O)c2ccoc2C)cc(C(=O)OC)c1,CID896727,,,,,,,,0.0,,,,,,,0.0,0.0,
Cc1cc(C)c(NC(=O)c2ccoc2C)c(C)c1,CID897458,,,,,,,,,,,0.0,,,,,,
CCc1cccc(C)c1NC(=O)c1ccoc1C,CID874451,,,,,,,0.0,,,,0.0,,,,,0.0,
Cc1cc(C(=O)Nc2ccccc2)c(C)o1,CID34281,,,,,,,,,0.0,0.0,,,,,,,
COc1ccc(C(C)(C)C)cc1NC(=O)c1ccoc1C,CID1244003,,,,,,,0.0,,,,0.0,,,,,0.0,0.0
Cc1occc1C(=O)Nc1cccc(C(=O)O)c1,CID778282,,,,,,,,,,,,,,0.0,,,
COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccoc1C,CID1246309,,,,,0.0,,,,,,,,0.0,,,0.0,
Cc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)o1,CID841179,,,,,,,,,,,,,,,0.0,,
Cc1occc1C(=O)Nc1c(F)c(F)c(F)c(F)c1F,CID2168476,,,,,,,,,0.0,,,,,,,,
CCOC(=O)c1cc(NC(=O)c2ccoc2C)cc(C(=O)OCC)c1,CID1245238,,,,,,,,0.0,,,,,,,,0.0,
Cc1oc(C(C)(C)C)cc1C(=O)Nc1cccc(/C=C\C(=O)O)c1,CID2296128,,,,,,,,,,,,,,,0.0,,
COc1ccc(NC(=O)c2cc(C(C)(C)C)oc2C)cc1,CID703128,,,,,,0.0,,,,,0.0,,0.0,,,0.0,0.0
COc1ccc(C)cc1NC(=O)c1ccoc1C,CID887290,,,,,,,0.0,,0.0,0.0,,,,,,,
CCCOc1cccc(NC(=O)c2cc(C)oc2C)c1,CID2213460,,0.0,,,,,0.0,,,0.0,0.0,,,,,,0.0
CC(=O)c1cccc(NC(=O)c2ccoc2C)c1,CID896770,,,,,,,,,,,,,,0.0,0.0,,
CCCNc1cc(=O)n(C)c(=O)n1C,CID2262138,0.0,,,0.0,,0.0,0.0,,0.0,,0.0,0.0,,,,,
CCCCOc1cc(=O)[nH]c(=O)[nH]1,CID3242056,,,0.0,0.0,,,,0.0,,,,,,,,,
CCCCCNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1,CID2150008,,,,,,,,,,,,0.0,,,,,
CCn1c(NC)cc(=O)n(C)c1=O,CID822144,,,,,,,,,0.0,,,0.0,,,,,
CCN(CC)CCn1c(OC)cc(=O)[nH]c1=O,CID768406,,,,0.0,,,,,0.0,,,0.0,0.0,,,,
CC(C)CCNc1cc(=O)n(C)c(=O)n1C,CID777240,,,,,,,,,0.0,,,,,,,,
CCCCCCCCCCn1cc(C(C)=O)c(=O)[nH]c1=O,CID1815357,,,,,,0.0,,,,,,,,0.0,,,
CCCCn1c(N)c(C(=S)NC(=O)CC(C)C)c(=O)n(C)c1=O,CID2489467,,,,,,,,,,,,,,,0.0,,
CCN(CC)CCn1c(N)cc(=O)[nH]c1=O,CID2118143,,,,,,,,,,,,,,,0.0,,
CCC(CC)C(=O)Nc1cc(=O)n(C)c(=O)n1C,CID2148482,,,,0.0,,0.0,,,,,,,0.0,,,,
CCCCNc1cc(=O)n(C)c(=O)[nH]1,CID4637181,,0.0,,,,,,,,,,,0.0,,,,
CCCC(=O)Nc1cc(=O)n(C)c(=O)n1C,CID2148437,,,,,,0.0,,,,,,,,,,,
CC(C)CNc1c(N)n(CC(C)C)c(=O)[nH]c1=O,CID2366802,,,,,,,,,,,,,,0.0,,,
CCNc1cc(=O)n(C)c(=O)n1C,CID652709,,,,0.0,,,,,0.0,0.0,,0.0,,,0.0,,
CCCNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1,CID2149960,,,,,,,0.0,0.0,,,,0.0,,,,,
CCCC(=O)c1c(O)[nH]c(=O)[nH]c1=O,CID658361,,,,,0.0,,,0.0,,,,,,,,,
C=CCn1c(NC)cc(=O)n(C)c1=O,CID752094,,,,0.0,,,,,0.0,,,0.0,,,,,
Cn1c(N)c(C(=O)CCl)c(=O)n(C)c1=O,CID254701,,,,,,,,,,,,,,,0.0,,
CC(C)Cn1c(N)c(C=O)c(=O)n(C)c1=O,CID2461611,,,,,,,,,,,,,,0.0,,,
CCOC(=O)NC(=O)c1cn(CCN(C)C)c(=O)[nH]c1=O,CID901758,,,,,,,,,,,,,,0.0,,,
C=CCn1c(O)c(C(=O)CCCCCC)c(=O)[nH]c1=O,CID663021,,,,0.0,,,,0.0,,,,,0.0,,,0.0,
CCCCN(CC)S(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O,CID4199451,,,,,,,,,,,,,,,0.0,,
CCOCCCNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1,CID2149971,,,,0.0,,,,,,,,,0.0,,,,
CCCCNc1cc(=O)n(C)c(=O)n1C,CID2262624,,,,0.0,,,,,,,,,,,,,
COCC(=O)Nc1cc(=O)n(C)c(=O)n1C,CID2148509,,,,,,,,0.0,,,,,0.0,,,,
Cn1c(NC(=O)CC(C)(C)C)cc(=O)n(C)c1=O,CID2148506,,,,,,,,,0.0,,,,,,,,
CCCCN(C)S(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O,CID9550300,,,,,,,,,,,0.0,,,,,,
CCCC(CCC)C(=O)Nc1c[nH]c(=O)[nH]c1=O,CID977883,,,,,,,,,0.0,,,0.0,,,,,
CC(=O)OCc1cc(=O)n(C)c(=O)n1C,CID2843129,,,,,,,,0.0,,,,,0.0,,,,
CCCCOC(=O)c1cc(=O)[nH]c(=O)[nH]1,CID73015,,,,,,,,,,,,,,,0.0,,
CC(C)NC(=O)c1cc(=O)n(C)c(=O)n1C,CID2227167,,,,,,,,,0.0,,,,,,,,
CC(=O)c1c(N)n(C)c(=O)n(C)c1=O,CID320023,,,,0.0,,,,,,0.0,,,,,,,
CC(C)Cn1cc(Cl)c(=O)n(CC(C)C)c1=O,CID748597,,,,,,,,,,,,,,0.0,,,
CC(C)CNc1cc(=O)n(C)c(=O)n1C,CID777239,,,,0.0,,,,0.0,,,,0.0,,,,,
C=CCCCCCCCCC(=O)Nc1c[nH]c(=O)[nH]c1=O,CID1781283,,,,,,0.0,,,,,,,,,,,
CC(=O)OCCN(CCOC(C)=O)c1c(C)[nH]c(=O)[nH]c1=O,CID2257313,,,,,,,,,,,0.0,,,,,0.0,
C=CCn1cc(Cl)c(=O)n(CC=C)c1=O,CID3237181,,0.0,,0.0,,,,,,0.0,,,,,,,0.0
CCCn1c(N)cc(=O)n(CCC)c1=O,CID855055,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)c(C#N)c(Oc2ccccc2)n1,CID946983,,,,,,,,,0.0,0.0,,,,,0.0,,
O=Cc1ccc(Oc2ccc(F)cc2)nc1,CID3382953,,,,,,,,,,,,,,0.0,0.0,,
CN(C)c1ccnc(Oc2ccc(Cl)cc2)c1C#N,CID1488716,,,,,,,,,,,,,,,0.0,,
COCc1cc(C)nc(Oc2ccccc2)c1C#N,CID709284,,,,,,,,,,,,,,,0.0,,
CN(C)c1ccnc(Oc2ccc(C(C)(C)C)cc2)c1C#N,CID1475661,,,,,,,,,,,,0.0,,,,,
CC(=O)Nc1cccc(Oc2nc(C)cc(C)c2C#N)c1,CID714288,,0.0,,0.0,,,,,0.0,,,,0.0,0.0,0.0,,
CN(C)c1ccnc(Oc2ccccc2)c1C#N,CID1475658,,,,,,0.0,,,,,,0.0,,,,,
COc1cccc(Oc2ccc(N)cn2)c1,CID806744,,,,0.0,,,,,,0.0,,0.0,,,,,0.0
CCOc1cccc(Oc2ccc(C(F)(F)F)cn2)c1,CID894678,,,,,,,,,,,,,,,,,0.0
Cc1ccc(Oc2ccc(/C=N/O)cn2)cc1,CID3816581,,,,,,0.0,,,,,,,,,,,
Cc1cc(C)c(S(C)(=O)=O)c(Oc2ccc(C(C)(C)C)cc2)n1,CID1475680,,,,,,0.0,,,,,,,,0.0,,,
COc1ccnc(Oc2ccccc2)c1C#N,CID1484343,,,,,,,,,,,,,,,0.0,,
CCOc1cccc(Oc2ncccc2C(=O)/C(C#N)=C/N(C)C)c1,CID6523624,,,,,,0.0,,,,,,,,,,,
COc1ccc(Oc2nc(C)cc(C)c2C#N)cc1,CID892983,,,,0.0,,,,,0.0,0.0,,,,,,0.0,
O=C(O)c1cccnc1Oc1ccccc1,CID123450,,0.0,0.0,,,,0.0,0.0,,,,,,,,,
Cc1cc(C)c(S(C)(=O)=O)c(Oc2ccc(F)cc2)n1,CID1475677,,,,,,,,,,,,0.0,,,,,
CCN(CC)S(=O)(=O)c1ccc(Oc2cccc(C(C)=O)c2)nc1,CID2545885,,,,,,0.0,0.0,,0.0,0.0,,,,0.0,,0.0,0.0
CC(=O)c1cc(C#N)c(Oc2cc(C)cc(C)c2)nc1C,CID1471702,,,,,,0.0,,,,,,,,,,,
CO/N=C/c1ccc(Oc2ccc(C)cc2)nc1,CID3487667,,,,,,0.0,,,,,,,,,,,
COC(=O)c1cc(C#N)c(Oc2ccc(OC)cc2)nc1C,CID1471658,,,,,,0.0,,,,,,,,,0.0,,
COC(=O)c1cc(C#N)c(Oc2ccc(F)cc2)nc1C,CID1471656,,,,,,0.0,,,,,,,,,,,
COc1ccnc(Oc2cc(Cl)cc(Cl)c2)c1C#N,CID1484358,,,,,,,,,,,,,,0.0,,,
O=[N+]([O-])c1ccc(Oc2ccc(/C=N/O)cc2)nc1,CID740574,,,,,,,,,,,,,,,0.0,,
Cc1ccc(Oc2ncccc2CO)cc1,CID3750714,,,,,,,,,,,,,,,0.0,,
COc1cccc(OC)c1Oc1ccc(C(F)(F)F)cn1,CID894639,,,,,,,,,,,,,,,,,0.0
COc1ccnc(Oc2ccc(Cl)cc2)c1C#N,CID1470949,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)c(C#N)c(Oc2ccc(O)cc2)n1,CID714981,,,,,,,,,,0.0,,,,,,0.0,
CCOc1ccccc1Oc1ccc(C(F)(F)F)cn1,CID895247,,,,0.0,,,,,,,,,,,,,
Cc1cc(C)c(S(C)(=O)=O)c(Oc2cccc(Cl)c2)n1,CID1475679,,,,,,,,,,,,,,0.0,,,
COc1ccc(Oc2nc(C)cc(C)c2S(C)(=O)=O)cc1,CID1475674,,,,,,0.0,,,,,,0.0,,,,,
Cc1cc(C)c(S(C)(=O)=O)c(Oc2ccccc2C)n1,CID1475675,,,,,,0.0,,,,,,,,,,,
Cc1ccc(Oc2ccc(C=O)cn2)cc1,CID2764054,,,,,,,,,,,,,,0.0,,,
COC(=O)c1cc(C#N)c(Oc2ccccc2OC)nc1C,CID1471663,,,,,,,,,,,,,,0.0,,,
CCCC(=O)Nc1cccc(Oc2nc(C)cc(C)c2C#N)c1,CID723813,,,,,,,,,,,,0.0,,,,,
Cc1cc(C)c(C#N)c(Oc2ccc(F)cc2)n1,CID723818,,,,,,,,,,,,0.0,,,,,
CCC(=O)Nc1cccc(Oc2nc(C)cc(C)c2C#N)c1,CID714514,,,,,,0.0,,,0.0,,,0.0,,,,,
Cc1ccc(Oc2ncccc2/C=N/O)cc1,CID4262428,,,,,,0.0,,,,,,,,,,,
COc1ccnc(Oc2ccccc2)c1C(N)=O,CID1487149,,,,,,,,,,,,,,0.0,,,
NC(=O)COC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccccc1F,CID2999974,,,,,,,0.0,0.0,,,,,0.0,,,,0.0
CC(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1,CID669172,,,0.0,0.0,0.0,,,,0.0,,,,,,,0.0,
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)O)cc1C,CID2230280,,,,,,,,,,0.0,,,,,,,
Cc1ccc(CCNS(=O)(=O)c2ccc(C)cc2)cc1,CID976424,,,,,,0.0,,,,0.0,,0.0,,,,,
COc1ccc(CCNS(=O)(=O)c2cccc(C(=O)O)c2)cc1OC,CID1263683,,,,,0.0,,,,0.0,0.0,,,,0.0,,,
COc1ccc(CCNS(=O)(=O)c2cccc(F)c2)cc1OC,CID852180,,,,0.0,,,0.0,,,,,0.0,0.0,,,,
CCC(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1,CID927108,,,,,,,,,0.0,,,,,0.0,,,
COc1ccc(CCNS(=O)(=O)c2ccc(OC)cc2)cc1,CID868666,,,,,,,,,0.0,,,,,0.0,0.0,,
CC(=O)Nc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1,CID798295,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)CCl)cc1,CID439647,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(F)cc1S(=O)(=O)NC(Cc1ccccc1)C(N)=O,CID2974470,,,0.0,,,,,0.0,,,,0.0,,,,,0.0
COc1ccc(C)cc1S(=O)(=O)NCCc1ccccc1,CID967887,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(CCNS(=O)(=O)c2cc(/C=C/C(=O)O)ccc2C)cc1OC,CID1347560,,,,,,,,,,,,,,,0.0,,
CCOC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(NC(C)=O)cc1,CID3125900,,0.0,,,,,,0.0,0.0,0.0,,,0.0,,,0.0,
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCCCO)cc1,CID655571,0.0,,0.0,,0.0,,,,,,,,,,,0.0,
O=S(=O)(NCCc1ccccc1)c1ccccc1,CID254130,,,,,,,,,,0.0,,,,,,,
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)O)cc1,CID740850,,,,,,,,,0.0,0.0,,,,,,,
O=C(O)c1cccc(S(=O)(=O)NCCc2ccccc2)c1,CID2473940,,,,,,,,,,,,,,0.0,0.0,,
COC(CNS(=O)(=O)c1ccccc1)c1ccccc1,CID3610647,,,,,,0.0,,,,,,,,,,,
O=C(O)COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1,CID3704629,,0.0,,0.0,,,,,,,,,,0.0,,,0.0
COC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1,CID2855339,,,,,,,,,0.0,,,0.0,,,0.0,,
NS(=O)(=O)c1ccc(S(=O)(=O)NCCc2ccccc2)cc1,CID805566,,,,,0.0,0.0,0.0,,,0.0,,,0.0,,,,
O=C(O)CC(CNS(=O)(=O)c1ccccc1)c1ccccc1,CID3511375,,,0.0,0.0,,,,0.0,,,,,0.0,,,0.0,
COCCNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(OC)cc1,CID1918086,,,,,,,,,0.0,0.0,,,,,,,
COc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1,CID841713,,,,,,,0.0,0.0,,,,0.0,,,,,
COc1ccc(OC)c(S(=O)(=O)NCCc2ccccc2)c1,CID648432,,,0.0,0.0,0.0,,,,0.0,,,,,,,,
COc1ccc(CCNS(=O)(=O)c2ccc(F)cc2)cc1OC,CID646521,,,,,,,,0.0,,0.0,,0.0,0.0,0.0,,,0.0
NNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1,CID1372362,,,,,,,,,,,,,,0.0,,,
COCC(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1,CID889485,,0.0,,0.0,,,,,,,,,0.0,,,,0.0
Cc1ccc(S(=O)(=O)NCCc2ccccc2)cc1,CID225587,,,,,,,,,,,0.0,,,,,,
O=C(O)CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1,CID970863,,,,,,,,,0.0,0.0,,,,,,,
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)O)cc1OC,CID1123805,,0.0,0.0,,,,,,0.0,0.0,,,,,,,
COc1ccc(CCNS(=O)(=O)c2ccccc2)cc1OC,CID748770,,0.0,0.0,0.0,0.0,,0.0,0.0,,,,,,0.0,,,
CC(C)(C)c1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)O)cc1,CID2930429,,,,,,0.0,,,,0.0,,,,0.0,,,
CCOCC(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1,CID2162790,,,,0.0,,,0.0,0.0,0.0,,,,0.0,,,0.0,
COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1,CID739803,,,,,,,,,,,0.0,,,,,,
CS(=O)(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1,CID1309244,,,,,0.0,,0.0,,,0.0,,,0.0,0.0,,,
CC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1cccc([N+](=O)[O-])c1,CID2829285,,,,,,0.0,,,,,,,,,,,
CCN(CC)c1ccc(C2C(C(=O)OCCOC(C)C)=C(C)NC3=C2C(=O)CCC3)cc1,CID2872793,,,0.0,,,,,0.0,,,,,,,,,
CCOC(=O)CSC1=C(C#N)C(c2ccc(OC)cc2)C2=C(CC(C)(C)CC2=O)N1,CID661554,,,0.0,,0.0,,,0.0,0.0,0.0,,,,,,,
CCCOC(=O)C1=C(C)NC2=C(C(=O)C(C(=O)OC)C(C)C2)C1c1ccc(N(CC)CC)cc1,CID3245760,,,0.0,,,,,,,,,,,,,,
CC1=C(C(=O)OC(C)C)C(c2ccc(N(C)C)cc2)C2=C(CC(C)(C)CC2=O)N1,CID655854,,,,,,,,,,,,0.0,0.0,,,,
COC(=O)c1ccc(C2C(C#N)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1,CID3239514,,,0.0,,0.0,0.0,,,0.0,,,0.0,0.0,,,,0.0
CCCOC(=O)C1=C(C)NC2=C(C(=O)C(C(=O)OC)C(C)C2)C1c1ccc(N(C)C)cc1,CID647121,,,,,,,,0.0,,,,,,,,,
CCN(CC)c1ccc(C2C(C(=O)OCCOC)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1,CID645022,,,,,,,,0.0,,,,,0.0,0.0,,,
COc1cc(C2C(C#N)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1O,CID2999689,0.0,,,0.0,,,,,0.0,,,,,,,,0.0
CCOC(=O)CSC1=C(C#N)C(c2ccc(C)cc2)C2=C(CCCC2=O)N1,CID2998713,,,,,,0.0,,,,,,,,,,,0.0
CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1ccc(N(C)C)cc1,CID2848158,,,,,0.0,,,,,0.0,,0.0,0.0,,,,
CSC1=C(C#N)C(c2ccc(C)cc2)C2=C(CCCC2=O)N1,CID2952151,,,,,0.0,,0.0,,,,,0.0,,,,,0.0
CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1cc(OC)ccc1OC,CID3237201,,,0.0,,,,0.0,,,,,,0.0,,,,
COc1ccc(C2C(C#N)=C(C)NC3=C2C(=O)CC(C)(C)C3)c(OC)c1,CID3131438,,0.0,0.0,,0.0,,,,,,,,0.0,,,,
CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1cc(OC)ccc1OC,CID2848187,,,0.0,,,,0.0,0.0,,,,,0.0,,,0.0,
COCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1ccc(N(C)C)cc1,CID2855592,,,,,0.0,,,0.0,,,,0.0,,,,,
CCOC(=O)CSC1=C(C#N)C(c2ccccc2C)C2=C(CCCC2=O)N1,CID659853,,,,,,,0.0,0.0,,,,0.0,0.0,,,,
COC(=O)CSC1=C(C#N)C(c2ccc(C)cc2)C2=C(CCCC2=O)N1,CID2998594,,,0.0,,,,0.0,,,,,0.0,0.0,,,,
COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1ccc(N(C)C)cc1,CID2855163,,,,,,0.0,,,,,,0.0,,,,,0.0
CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1cc(OC)ccc1OC,CID645381,,,0.0,,,,,,,,,0.0,,,,0.0,
COc1cc(C2C(C#N)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1OCCO,CID2863238,,,0.0,0.0,,,,,0.0,,0.0,0.0,0.0,,,,
COc1ccc(C2C(C#N)=C(SC)NC3=C2C(=O)CC(C)(C)C3)cc1,CID661713,0.0,0.0,0.0,,,,0.0,0.0,,,,,,,,,
CCCSC1=C(C#N)C(c2ccc(OC)cc2)C2=C(CC(C)(C)CC2=O)N1,CID661630,,,,,,,,,,0.0,,,,,,,
COc1ccc(C2C(C#N)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1,CID2818303,,,,,,0.0,,,,,,,,,0.0,,
CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1cccc(OC)c1OC,CID2847880,,,0.0,,,,,,,,,,,,,,
CCC(C)OC(=O)C1=C(C)NC2=C(C(=O)C(C(=O)OC)C(C)C2)C1c1ccc(N(C)C)cc1,CID3245170,,,,,,,,0.0,,,,,0.0,,,,
CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1ccc(N(C)C)cc1,CID2882071,,,,,,0.0,,,,,0.0,,,,,,0.0
CCN(CC)c1ccc(C2C(C(=O)OCCOC)=C(C)NC3=C2C(=O)CCC3)cc1,CID2854858,,,0.0,,,,0.0,,,,,0.0,,,,,
COC(=O)C1C(=O)C2=C(CC1C)NC(C)=C(C(=O)OC(C)C)C2c1ccc(OC)c(O)c1,CID648992,,,0.0,,,,0.0,0.0,,,,,,,,,
CSC1=C(C#N)C(c2ccccc2Cl)C2=C(CCCC2=O)N1,CID655431,0.0,,0.0,0.0,0.0,,0.0,,,,,,,,,,0.0
COc1cc(C2C(C#N)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1O,CID2999429,0.0,,,,,,,,0.0,,0.0,0.0,,,,,0.0
CCOC(=O)C1=C(C)NC2=C(C(=O)C(C(=O)OC)C(C)C2)C1c1ccc(OC)c(O)c1,CID650976,,,0.0,,,,,0.0,,,,,,0.0,,,
CCSC1=C(C#N)C(c2ccc(Cl)cc2)C2=C(CCCC2=O)N1,CID652448,0.0,0.0,0.0,0.0,0.0,,,,,0.0,,,,,,,
CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1ccc(N(C)C)cc1,CID2998808,,,,,,,,,,,,0.0,,,0.0,,
CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1ccc(N(C)C)cc1,CID647313,,0.0,,,0.0,0.0,,0.0,,,,0.0,,,,,
CSC1=C(C#N)C(c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1,CID2837949,0.0,0.0,,0.0,0.0,0.0,,,,,,,0.0,,,,0.0
CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)C1c1ccc(OC)c(OC)c1,CID2847199,,,,,,,,,,,,0.0,,,,,
CN(C)NC1CC(=O)N(c2ccccc2)C1=O,CID3103695,,,,,,,,,,,,,,,0.0,,
O=C(O)CSC1CC(=O)N(c2cccc(Cl)c2)C1=O,CID2827720,,,,0.0,,,,,,,,,,,,,0.0
CCOc1ccc(N2C(=O)CC(SCC(=O)O)C2=O)cc1,CID2827725,,,,,,,,,,,,,,0.0,,,
CCCCN(C(=O)CCC(=O)O)C1CC(=O)N(c2ccc(OCCC)cc2)C1=O,CID661028,,,0.0,,,,0.0,0.0,0.0,,,,0.0,,,,
CCOC(=O)NNC1CC(=O)N(c2ccccc2)C1=O,CID3338691,,,,,,,,,,,,,,0.0,,,
O=C(O)c1cccc(N2C(=O)CCC2=O)c1,CID692331,,,0.0,,,,,,,,,,0.0,,,,
CC(=O)Nc1cc(N2C(=O)CCC2=O)ccc1Cl,CID881046,,,,,,,,,,,,,0.0,,,,0.0
Cc1cc(Cl)ccc1N1C(=O)CC(SCCC(=O)O)C1=O,CID2978519,,,,,,,,,,0.0,,,,,,,0.0
COC(=O)CN(C)C1CC(=O)N(c2ccc(Cl)cc2)C1=O,CID2937026,0.0,,,,,,,,,,,,,,,0.0,
CC(C)(C)OC(=O)NNC1CC(=O)N(c2ccccc2F)C1=O,CID2982743,,,,,,0.0,,,,,,,,,,,
C=CCN(C(=O)CCC(=O)O)C1CC(=O)N(c2ccc(OC)cc2)C1=O,CID660240,,,,,,,,0.0,,,,,,,,,
CCOc1ccc(N2C(=O)CCC2=O)cc1,CID670633,,,0.0,,,,,0.0,0.0,,,,0.0,,,0.0,
C=CCN(C(=O)CCC(=O)O)C1CC(=O)N(c2ccc(OCCC)cc2)C1=O,CID660455,,,0.0,,,,,,,,,,,,0.0,,
CCCCCC(=O)N(O)C1CC(=O)N(c2ccccc2)C1=O,CID664797,,,,,,,,,,,,0.0,,,,,
C/N=C(\NC)SC1CC(=O)N(c2ccccc2)C1=O,CID2869084,,0.0,,0.0,,0.0,,,,0.0,,,0.0,,,,
CC/N=C(\NCC)SC1CC(=O)N(c2cccc(OC)c2)C1=O,CID2857989,,,,0.0,0.0,,0.0,,,,,,,,,0.0,
CCOC(=O)C(N)CSC1CC(=O)N(c2ccc(C(=O)OC)cc2)C1=O,CID661740,,0.0,,,,,,,,,,,0.0,,,,
CCOc1ccc(N2C(=O)CC(N)C2=O)cc1,CID657455,,,,,0.0,,,,,,,0.0,,,,,
O=C(O)CSC1CC(=O)N(c2ccc(Cl)cc2)C1=O,CID2827715,,,,,,,,,,,,,,,,,0.0
COc1ccc(N2C(=O)CC(SCC(=O)O)C2=O)cc1,CID2827718,,,,,,,,,0.0,,,,,,,,
CCCCCCOc1ccc(N2C(=O)CC(S/C(=N/CC)NCC)C2=O)cc1,CID3593971,,,,,,,,,,,,,,,0.0,,
CCCCCCC(=O)N(O)C1CC(=O)N(c2ccccc2)C1=O,CID663333,,,0.0,,0.0,,0.0,0.0,0.0,,,,,,,,
CCCCCCC(=O)N(O)C1CC(=O)N(c2ccc(C)cc2)C1=O,CID3745707,,,,,,,,,,,,0.0,,,,,
C=CCN(C(C)=O)C1CC(=O)N(c2ccc(OCCC)cc2)C1=O,CID4680776,,,,,,,,,,,,,,,0.0,,
O=C1CC(SCCO)C(=O)N1c1ccccc1,CID2979343,,,,,,,,,0.0,,,,,,,,
COc1ccc(N2C(=O)CCC2=O)cc1,CID345843,,,,,,,,,,,,,0.0,,,,0.0
CC/N=C(\NCC)SC1CC(=O)N(c2ccccc2)C1=O,CID2833588,0.0,0.0,,,0.0,,,,,,0.0,,0.0,,,0.0,
CCN(CCO)C1CC(=O)N(c2ccccc2C)C1=O,CID667276,,0.0,,,,,,,,0.0,,,,,,,0.0
CCC1(C)CC(=O)N(c2ccc(C(=O)O)c(O)c2)C1=O,CID644710,,,0.0,,,,,,,,,,,,,0.0,0.0
CCCCCCC(=O)N(O)C1CC(=O)N(c2ccc(Br)cc2)C1=O,CID662672,0.0,,,,,,0.0,,0.0,,0.0,0.0,,,,0.0,0.0
CC/N=C(\NCC)SC1CC(=O)N(c2cccc(OCC)c2)C1=O,CID2867425,,0.0,,0.0,0.0,,0.0,0.0,,,0.0,,,,,,
CCN(CC)C1CC(=O)N(c2cccc(C)c2)C1=O,CID3463218,,,,,0.0,,,,,,,,,,,0.0,
O=C(O)CSC1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O,CID660187,,,,,,,,,,0.0,,,,,,,
COC(=O)c1ccc(N2C(=O)CC(SCCN)C2=O)cc1,CID3126475,,,,0.0,0.0,,0.0,,,,,,,,,,
CC(=O)Nc1ccc(N2C(=O)CCC2=O)cc1C,CID898925,,,,,,,,,,,0.0,,,,,,
CCCOc1ccc(N2C(=O)CC(N(CCC)C(=O)CCC(=O)O)C2=O)cc1,CID660482,,,,,,,0.0,,,,0.0,,,,,,
CC(=O)Oc1ccc(N2C(=O)CCC2=O)cc1,CID817953,,,0.0,,,,,,,,,,0.0,0.0,,,
O=C(O)CCc1ccc(-c2ccc(F)cc2)n1CCC(=O)O,CID894144,,,,,,,,,,,0.0,,,,,,
CCCNC(=O)c1cc(-c2ccc(OC)cc2)n(CCCOC)c1C,CID12005041,,,,,,,,,,,,,,,0.0,,
Cc1ccc(-c2ccc(CCC(=O)O)n2CC(=O)O)cc1,CID707445,,,,,,,,,,,,0.0,,,,,
O=C(O)CCc1ccc(-c2ccccc2)n1CC(=O)O,CID707444,,0.0,,,,,,,,,0.0,,,,,,0.0
O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1CC(=O)O,CID707447,,,,,,0.0,,,,,,,,0.0,,,
O=C(O)c1ccc(-c2ccccc2)[nH]1,CID226199,,,,0.0,,,,,,,,,0.0,,,,
CCOC(=O)c1c(C)c(-c2ccccc2)n(CC(=O)NCCCN(CC)CC)c1C,CID16193866,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1cc(-c2ccccc2)n(CC(=O)NC(C)(C)C)c1C,CID4117540,,,,,,,,,,,,,,0.0,,,
C=CCn1c(CCC(=O)O)ccc1-c1ccc(OC)cc1,CID893702,,,,,,,,0.0,0.0,,,,0.0,0.0,0.0,,
Cn1c(/C=C(\C#N)C(N)=S)ccc1-c1ccc(Br)cc1,CID941720,,,,,,,,,,,,,,0.0,,,
C=Cn1c(C(=O)O)cc(CC)c1-c1ccccc1,CID655461,,,,,,,,0.0,0.0,0.0,,,0.0,,,0.0,
CCOC(=O)c1cc(-c2ccc(C)cc2)n(CCC(=O)NCCN(C)C)c1C,CID3245779,0.0,,,,,,,0.0,,,,,,,,,0.0
CCOC(=O)Cn1c(CCC(=O)O)ccc1-c1ccc(F)cc1,CID893329,,,,,,,,,,,,,0.0,,,,
CCCn1c(CCC(=O)O)ccc1-c1ccc(F)cc1,CID893693,,0.0,0.0,,,,,,,,,,,,,,
C=CCn1c(CCC(=O)O)ccc1-c1ccccc1,CID894128,0.0,,,,,,0.0,,0.0,,,,,0.0,,,
CCC(C)(C)NC(=O)Cn1c(-c2ccccc2)cc(C(C)=O)c1C,CID3321231,,,,,,,,,,,,,,,0.0,,
NC(=S)Nn1c(CCC(=O)O)ccc1-c1ccccc1,CID893479,,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2ccc(CCC(=O)O)n2C(C)C)cc1,CID894399,0.0,,0.0,,,,,,,,,,,0.0,,0.0,0.0
CCC(C)(C)NC(=O)CCn1c(-c2ccccc2)cc(C(C)=O)c1C,CID3543770,,,,,,,,,,,,,,0.0,,,
Cc1ccc(-c2ccc(CCC(=O)O)n2NC(N)=S)cc1,CID892583,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1cc(-c2ccc(C)cc2)n(CCC(=O)NC(C)CC)c1C,CID9550706,,,,,,,,,,,0.0,,,0.0,,,
O=C(O)CCc1ccc(-c2ccc(Br)cc2)n1CC(=O)O,CID1276275,,,,,,,0.0,,0.0,,,0.0,,,,,0.0
O=C(O)CCc1ccc(-c2ccc(F)cc2)n1CC(=O)O,CID650632,,,,,,,0.0,0.0,,,0.0,,,,,,
CCOC(=O)c1cc(-c2ccccc2)n(CCCC(=O)O)c1C,CID3245731,,0.0,,,,,,,,,,,0.0,,,,
O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1CCC(=O)O,CID893945,,,,,,,,,,0.0,,,,0.0,,,
Cc1ccc(-c2ccc(CCC(=O)O)n2C(C)C)cc1,CID954342,0.0,,,,,0.0,0.0,0.0,0.0,,,,,,0.0,0.0,
Cc1ccc(-c2ccc(C(=O)O)[nH]2)cc1,CID646320,,,,,,0.0,,,,,,,,,,,0.0
CCOC(=O)c1cc(-c2ccccc2)n(CC(=O)O)c1C,CID3235924,,,0.0,,,,0.0,,0.0,,,,0.0,0.0,0.0,0.0,
Cn1c(N)c(C#N)c(C#N)c1-c1ccccc1,CID660073,0.0,0.0,,,,,0.0,0.0,,,,0.0,,,,,
COC(=O)c1cc(-c2ccccc2)n(CC(=O)O)c1C,CID3240268,,,,,,,,0.0,0.0,,,,,,,0.0,
NC(=O)Nn1c(CCC(=O)O)ccc1-c1ccc(Br)cc1,CID1312797,0.0,,,,,,0.0,,0.0,,,0.0,,,,0.0,0.0
COc1ccc(-c2ccc(CCC(=O)O)n2CC(C)C)cc1,CID954351,,,,,,,,,0.0,,0.0,0.0,,,,,
CCCn1c(CCC(=O)O)ccc1-c1ccc(OC)cc1,CID893444,,0.0,,,,,0.0,,0.0,,0.0,,0.0,0.0,,,
CC(C)n1c(CCC(=O)O)ccc1-c1ccccc1,CID954362,0.0,,,0.0,,,,,0.0,,0.0,,,0.0,,0.0,
CCCn1c(CCC(=O)O)ccc1-c1ccccc1,CID954363,,,,,,,,,,,,,,0.0,0.0,,
COC(=O)Cn1c(CCC(=O)O)ccc1-c1ccccc1,CID954364,,,0.0,,,,0.0,,0.0,0.0,,0.0,0.0,,0.0,,
C=CCn1c(CCC(=O)O)ccc1-c1ccc(F)cc1,CID954451,,,,,,,,,,0.0,,,,,,,
c1ccc(-c2nnc(-c3ccccc3)o2)cc1,CID12888,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-c2nnc(-c3cccc(Br)c3)o2)cc1,CID659789,0.0,,,,,,0.0,,0.0,,,,,,,0.0,
CC(C)(C)C(=O)Nc1cccc(-c2nnc(-c3cccc(NC(=O)C(C)(C)C)c3)o2)c1,CID1105606,,,,,,,,,,,,0.0,,0.0,,,
Brc1cccc(-c2nnc(-c3ccccc3)o2)c1,CID96737,,,,,,,,,0.0,,0.0,0.0,,0.0,,0.0,
CCOc1ccc(-c2nnc(-c3ccccc3)o2)cc1,CID865999,,,,,,,,,,,,,,,0.0,,
CCOC(=O)COc1ccc(-c2nnc(-c3ccccc3)o2)cc1,CID647355,0.0,0.0,,,,,0.0,,,,,,0.0,0.0,,,
COc1cc(-c2nnc(-c3ccccc3)o2)cc(OC)c1OC,CID1147545,,,,,,,,,,,,,,0.0,,,
Cc1cccc(-c2nnc(-c3ccc(N)cc3)o2)c1,CID974925,,,,,,,,0.0,,,0.0,0.0,0.0,,,,
Cc1ccccc1-c1nnc(-c2ccc(Br)cc2)o1,CID646295,0.0,,,,,,,,0.0,,0.0,0.0,,,0.0,0.0,0.0
CCOC(=O)c1ccc(-c2nnc(-c3ccc(Cl)cc3Cl)o2)cc1,CID1259542,0.0,,,,,,,,,,,,,,,,
Fc1ccc(-c2nnc(-c3ccc(Cl)cc3Cl)o2)cc1,CID676108,0.0,,,,,,,,,,,,,,,,
COc1ccc(-c2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)cc1OC,CID2059880,,,,,,,,,0.0,,,,,0.0,0.0,,
COc1ccc(-c2nnc(-c3ccc(OCC(C)C)cc3)o2)cc1,CID863663,,,,,,,,,0.0,,,,,,,,
COc1ccc(-c2nnc(-c3ccc(N)cc3)o2)cc1,CID1380741,,,,,,,0.0,0.0,,,,,,,,,
CCOc1ccc(-c2nnc(-c3ccc(OC)cc3)o2)cc1,CID866008,,,,,,,,,0.0,,,,,0.0,,,
Fc1ccc(-c2nnc(-c3ccc(Cl)cc3)o2)cc1,CID756149,,,0.0,,,0.0,0.0,,,,,,0.0,,,0.0,
Cc1ccccc1-c1nnc(-c2ccccc2)o1,CID259999,0.0,,0.0,0.0,,,0.0,,,,,,0.0,,,0.0,
Cc1cccc(-c2nnc(-c3ccccc3)o2)c1,CID259998,,0.0,,,,0.0,,,,,,,0.0,,0.0,,
Cc1ccc(-c2nnc(-c3ccccc3)o2)cc1,CID259997,,,,,,,,,,0.0,0.0,,,,0.0,,
COc1cc(OC)c(-c2nnc(-c3ccc(OC)c(OC)c3OC)o2)cc1OC,CID2244554,,,,,,,,,,,,,0.0,0.0,,,
CN(C)S(=O)(=O)c1cccc(-c2nnc(-c3ccccc3)o2)c1,CID891540,,,,,,,,,,,0.0,,,0.0,,,
COc1ccc(-c2nnc(-c3ccc(N(C)C)cc3)o2)cc1,CID743142,,,0.0,0.0,,,0.0,,,0.0,0.0,,,,,,
Cc1ccccc1-c1nnc(-c2ccccc2C)o1,CID30897,,,,,,,,,,,,,,,0.0,,
CCCCC(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1,CID1803647,,,,0.0,,,0.0,0.0,0.0,,,0.0,0.0,,,,
Clc1ccc(-c2nnc(-c3ccccc3Cl)o2)cc1,CID756156,0.0,,0.0,,,,0.0,,,,,,,,,,
CCN(CC)S(=O)(=O)c1cc(-c2nnc(-c3ccc(Br)cc3)o2)ccc1Cl,CID1040608,,,,,,,,,,,,,,,,0.0,0.0
CSc1ccccc1-c1nnc(-c2ccc(C)cc2)o1,CID1484135,,,,,,0.0,,,,,,,,,,,
CSc1ccccc1-c1nnc(-c2ccc(Cl)c(Cl)c2)o1,CID1484130,,,,,,,,,,,,0.0,,,,,
O=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)C(F)(F)F,CID754945,,,,,0.0,,,,,,,,,,,0.0,0.0
CC(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1,CID797915,,0.0,0.0,,,,,0.0,,0.0,,,,,0.0,,
CN(C)c1ccc(-c2nnc(-c3ccc(S(=O)(=O)C(F)F)cc3)o2)cc1,CID647857,,,,,0.0,,,,,,,,,,,,0.0
Cc1ccccc1-c1nnc(-c2ccc(Cl)cc2)o1,CID1122250,,,,,,0.0,,,,,,,,0.0,,,0.0
CCC(=O)Nc1cccc(-c2nnc(-c3cccc(NC(=O)CC)c3)o2)c1,CID1921194,,,,,,,,,0.0,,0.0,,,,,,
Cc1ccc(-c2nnc(-c3ccccc3)o2)cc1Br,CID659535,0.0,,,,,,0.0,,0.0,,0.0,0.0,,,,,
CCC(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1,CID661234,0.0,0.0,,,,,,,,,,0.0,,,,,
Clc1ccc(-c2nnc(-c3ccccc3)o2)c(Cl)c1,CID96854,0.0,,,,,,,,,,,,0.0,,,,
Clc1cccc(-c2nnc(-c3ccccc3)o2)c1,CID259755,,,0.0,,,,,,,,,,,,,,
COc1ccc(C(=O)N2CCOCC2)cc1Br,CID729876,0.0,,,,,,,,,,,,,,,,0.0
CC1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC(C)O1,CID591241,,,,,,0.0,,,,,,,,,,,
Cc1cc(C)cc(C(=O)N2CC(C)OC(C)C2)c1,CID2961449,,,,,,,,,0.0,0.0,,,,,,,
CCCOCC(O)COc1ccccc1C(=O)N1CCOCC1,CID658374,,0.0,,,,,,,,,,,0.0,,,0.0,0.0
CN(c1ccccc1C(=O)N1CCOCC1)S(C)(=O)=O,CID951629,,0.0,0.0,0.0,,,,0.0,,,,0.0,,,,0.0,
COC(=O)c1cc(C(=O)N2CCOCC2)cc([N+](=O)[O-])c1,CID755255,,,,,,,,,,,,,,,0.0,,
CCCCOc1ccc(C(=O)N2CC(C)OC(C)C2)cc1,CID2977306,,,,,,,,,,0.0,,,,,,,
CC(=O)Nc1ccccc1C(=O)N1CC(C)OC(C)C1,CID651825,,,,,,0.0,,0.0,,0.0,,,,,,,0.0
CC(C)COC(=O)Nc1ccccc1C(=O)N1CCOCC1,CID895486,,,,0.0,,,,,,,0.0,,0.0,,,,
Cc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-],CID576879,,,,,,,,,,,,,,,0.0,,
COc1cccc(C(=O)N2CCOCC2)c1,CID531835,,,,,,,,,,,,,,,0.0,,
CCOC(=O)Nc1ccccc1C(=O)N1CCOCC1,CID740589,,,,,,0.0,,0.0,,,,0.0,0.0,,,,
O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCOCC1,CID789210,,,,,,,,,,,,,,0.0,,,
CCCCOC(=O)Nc1ccccc1C(=O)N1CCOCC1,CID2175702,,,,,,,0.0,,0.0,,,,0.0,,,0.0,
O=C(O)c1cc(Cl)c(Cl)cc1C(=O)N1CCOCC1,CID2261344,,,,,,,,,,0.0,,,0.0,,,,
Cc1ccc(C(=O)N2CC(C)OC(C)C2)cc1[N+](=O)[O-],CID2851315,,,,,,,,,,,,,,,0.0,,
CS(=O)(=O)Nc1ccccc1C(=O)N1CCOCC1,CID967063,,0.0,,,,,,,,,,,,,,,
COc1cccc(OC)c1C(=O)N1CC(C)OC(C)C1,CID596556,,,,0.0,,,,0.0,0.0,0.0,,0.0,,,0.0,,0.0
COC(=O)N(C)c1ccccc1C(=O)N1CCOCC1,CID680922,,,,,,,,,,,,,,0.0,,,
COc1cccc(OC)c1C(=O)N1CCOCC1,CID669127,,,0.0,0.0,,,0.0,,,0.0,,,,,,0.0,
COc1cc(C(=O)N2CC(C)OC(C)C2)c([N+](=O)[O-])cc1OC,CID2873709,,,,,,0.0,,,,,,,,,,,
O=C(c1ccc(Cl)c(Cl)c1)N1CCOCC1,CID346717,,,,0.0,,,,,,,,,,,,,
CN(C)S(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1,CID800700,,,,,,,,,,,,0.0,,,,,
CSc1ccccc1C(=O)N1CCOCC1,CID966864,,,,,,,,,,,,,0.0,,,,
Cc1ccc(C(=O)N2CC(C)OC(C)C2)c(Cl)c1,CID2961263,,,,,,,,,,0.0,,,,,,,
CCCCC(=O)Nc1ccccc1C(=O)N1CCOCC1,CID1818523,,,,,,,,,0.0,,,,,,,,
O=C(c1cc(Cl)cc(Cl)c1)N1CCOCC1,CID790875,,0.0,,,,,,,,,,,,,,0.0,
CCC(CC)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1,CID974088,,,,,,,0.0,,0.0,0.0,,,0.0,,,0.0,
Cc1ccc(C(=O)N2CCOCC2)cc1Cl,CID807457,,0.0,,,,,,,,0.0,,,,0.0,,0.0,0.0
COCCSc1ccccc1C(=O)N1CCOCC1,CID2218456,,,,,,,,,,,,0.0,,,,,
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1,CID1070318,,,,,,,,,,0.0,,0.0,,,,,
CCOc1ccccc1C(=O)N1CCOCC1,CID346358,,,,,,,,,0.0,0.0,,,,,,,
Cc1cc(F)c(F)c(C(=O)N2CCOCC2)c1,CID593124,,,,,,,,,,,,,,0.0,0.0,,
CCC(=O)Nc1ccccc1C(=O)N1CCOCC1,CID882657,,,0.0,,,,0.0,,,,,,,,,,
CN(c1ccc(C(=O)N2CCOCC2)cc1)S(C)(=O)=O,CID893675,,,,,,,,,,,0.0,,,,,,
CC1CN(C(=O)c2cc(F)c(F)cc2Cl)CC(C)O1,CID2970288,,,,,,,,,,,,0.0,,,,,0.0
CC(C)Cc1cc(C(=O)Nc2cc(Cl)ccc2Cl)no1,CID5307533,0.0,,,,,,,,,,,,,,,,
COc1ccc(NC(=O)c2cc(C(C)C)on2)cc1OC,CID3237246,,,0.0,0.0,,,,,,,0.0,0.0,,,,0.0,
CCc1ccc(NC(=O)c2cc(C)on2)cc1,CID3238202,,0.0,0.0,,,,,,,,,,0.0,,,,
CCCc1cc(C(=O)Nc2cccc(Cl)c2)no1,CID5308713,0.0,,,0.0,,,,,,,,,,,,0.0,
CC(C)Cc1cc(C(=O)Nc2cc(Br)ccc2O)no1,CID5307374,0.0,,,,,,,,,,,,,,,,
CC(=O)c1ccc(NC(=O)c2cc(CC(C)C)on2)cc1,CID5309834,,,,,,,,,0.0,,,,,0.0,,0.0,
CCCc1cc(C(=O)Nc2ccc(C)cc2)no1,CID5307380,,,0.0,,,0.0,,,,,,,0.0,,0.0,0.0,
Cc1ccc(NC(=O)c2cc(C)on2)cc1,CID3236095,,,0.0,,,0.0,,,,0.0,,0.0,,,,,
CCCc1cc(C(=O)Nc2cc(OC)c(Cl)cc2OC)no1,CID5307721,,,0.0,,,0.0,,,,,,,,,,0.0,
COc1ccc(NC(=O)c2cc(C)on2)cc1OC,CID1246378,,,0.0,,,,0.0,,,,,,0.0,,,0.0,
CSc1ccccc1NC(=O)c1cc(C)on1,CID1247789,,,,,,,,,,0.0,0.0,,,,0.0,,
CC(C)c1cc(C(=O)Nc2cccc(Cl)c2)no1,CID3240071,0.0,0.0,0.0,0.0,,,,0.0,,,0.0,,,,,,0.0
Cc1cc(C(=O)Nc2c(F)cc(F)cc2Br)no1,CID1245940,0.0,,,,,,,,,,,,,,,,
COc1ccc(NC(=O)c2cc(CC(C)C)on2)cc1OC,CID5309487,,,0.0,,,,,0.0,,,0.0,,,,,0.0,
CC(C)Cc1cc(C(=O)Nc2ccc(F)cc2F)no1,CID5308890,,,,,,,0.0,,,0.0,,,,,,,
CCc1ccc(NC(=O)c2cc(C(C)C)on2)cc1,CID3238292,0.0,,,,0.0,,,0.0,,0.0,,0.0,0.0,,,,
CC(=O)Nc1cccc(NC(=O)c2cc(C)on2)c1,CID1245951,,0.0,,,,,,,,0.0,0.0,0.0,0.0,,,,
CCCc1cc(C(=O)Nc2cccc(C(C)=O)c2)no1,CID5307757,,0.0,,0.0,,,,0.0,,,,0.0,0.0,,,,
CCOC(=O)c1cc(NC(=O)c2cc(C)on2)cc(C(=O)OCC)c1,CID1246734,,,,,,,,,,,,,,,0.0,,
COc1ccc(NC(=O)c2cc(C(C)C)on2)c(OC)c1,CID5308940,,,,,,,,0.0,,,,,,0.0,,0.0,
COc1cc(NC(=O)c2cc(CC(C)C)on2)c(OC)cc1Cl,CID5309288,0.0,,,,,,,,,,,,,,,0.0,
CC(C)Cc1cc(C(=O)Nc2c(F)cc(F)cc2Br)no1,CID5309123,0.0,,,,,,,,,,,,,,,,
COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc(C)on1,CID1245321,,0.0,,,,,,,,,,,,,,,
CC(=O)c1cccc(NC(=O)c2cc(C(C)C)on2)c1,CID5308779,,,,0.0,,0.0,,,,,,,,,,,
CC(C)c1cc(C(=O)Nc2cc(Cl)ccc2O)no1,CID3236792,0.0,0.0,,0.0,,,,,,0.0,,,0.0,,,0.0,0.0
Cc1cc(C(=O)Nc2ccccc2C(F)(F)F)no1,CID3073007,,,,0.0,,,0.0,,0.0,,,,,,,,0.0
CCc1ccc(NC(=O)c2cc(CC(C)C)on2)cc1,CID5307164,,0.0,,0.0,,,,,,,,,,,,0.0,
CCCc1cc(C(=O)Nc2ccccc2C(=O)OC)no1,CID5308358,,,,0.0,,,,,,,,,,,,0.0,
CCCc1cc(C(=O)Nc2ccccc2SC)no1,CID5307918,,0.0,,0.0,,,,,,,,,0.0,,,,
CCCc1cc(C(=O)Nc2cc(Br)ccc2O)no1,CID5308512,0.0,,,,,,,,,,,,,,,0.0,
CC(C)c1cc(C(=O)Nc2cc(Br)ccc2O)no1,CID9551104,,,,,,,,,,,,,,0.0,,,
COc1cc(NC(=O)c2cc(C)on2)cc(OC)c1OC,CID3236719,,,,,,0.0,0.0,,,0.0,,,,,,0.0,
CCCc1cc(C(=O)Nc2ccc(C(C)=O)cc2)no1,CID5308171,,,0.0,,,,,,0.0,,,,0.0,,,,
CSc1ccccc1NC(=O)c1cc(CC(C)C)on1,CID5309677,0.0,,,,,,0.0,,,,,,,,,,
CCCc1cc(C(=O)Nc2ccc(F)cc2F)no1,CID9550631,,,,,,,,,,,,,,,0.0,,
COc1cc(NC(=O)c2cc(C(C)C)on2)cc(OC)c1OC,CID5308574,,,0.0,,,,,,,,,,,,,,
COCC(C)NC(=O)c1cc(-c2ccccc2OC)on1,CID3242102,,,,0.0,,0.0,,,,0.0,,,,,,,
COCCNC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)on1,CID5308807,0.0,,,,,,,,,,,,,,,0.0,0.0
CCOC(=O)COc1ccccc1-c1ccno1,CID902453,,,,,,,,,,,,,,0.0,0.0,,
CCCNC(=O)c1cc(-c2ccc(OC)cc2)on1,CID3243149,,,,,,,,,,,,,0.0,,,,
CCN(CC)C(=O)c1cc(-c2ccccc2OC)on1,CID3237651,,,,,,,,0.0,,,,,0.0,,,0.0,
COCCNC(=O)c1cc(-c2ccc(OC)c(OC)c2)on1,CID3237725,,,,,,,,,,0.0,,,0.0,,,,
O=C(O)c1cc(-c2ccccc2)on1,CID151916,,,,,,,,,,,,,,,0.0,,
CCCNC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)on1,CID3242309,0.0,,,,,,,,,0.0,,,,,,,
COc1cccc(-c2cc(C(=O)O)no2)c1,CID1090979,,,,,,,,,,,0.0,,,,,,
CCCNC(=O)c1cc(-c2ccc(Br)cc2)on1,CID3241419,0.0,,,,,,,,0.0,,,0.0,,,,0.0,0.0
CCN(CC)C(=O)c1cc(-c2ccc(Br)cc2)on1,CID3238274,0.0,,,,,,,,0.0,,,0.0,,,,0.0,
COc1ccc(-c2cc(C(=O)NCC(C)C)no2)cc1,CID3240709,,,,,0.0,,,,,0.0,,,,,,,
CC(C)NC(=O)c1cc(-c2ccc(Br)cc2)on1,CID3244552,0.0,,,,,,,,0.0,,,0.0,,,,,0.0
COC(=O)c1cc(-c2ccc(OC)c(OC)c2)on1,CID645390,,,0.0,,,,,0.0,0.0,0.0,,,,0.0,,0.0,
CC(C)CNC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)on1,CID3239337,0.0,,,,,,,,,,,,,,,,
COCCNC(=O)c1cc(-c2cccc(OC)c2)on1,CID3240105,,,0.0,,,0.0,,0.0,,,,,0.0,,,,
COCC(C)NC(=O)c1cc(-c2ccc(OC)c(OC)c2)on1,CID3245689,,,,,,,,0.0,,,,,,,,0.0,
COCC(C)NC(=O)c1cc(-c2cccc(OC)c2)on1,CID3236344,,,,,,0.0,,0.0,,,,,0.0,,,,
COc1ccc(-c2cc(C(=O)NC(C)C)no2)cc1,CID3243647,,,,,,0.0,,,,,,,,,,,
CC(C)CNC(=O)c1cc(-c2ccc(Br)cc2)on1,CID3242684,0.0,,,,,,,,0.0,,,,,,,0.0,0.0
COC(=O)c1cc(-c2ccc(Br)cc2)on1,CID4569957,0.0,,,,,,,,,,,,,,,,0.0
CCCCNC(=O)c1cc(-c2ccc(OC)cc2)on1,CID3244327,,,,,0.0,,,0.0,,,,,0.0,,,,
CCC(C)NC(=O)c1cc(-c2ccc(OC)cc2)on1,CID3240005,,,,,0.0,,,,,0.0,,,,,,,0.0
C=CCNC(=O)c1cc(-c2ccc(Br)cc2)on1,CID3238993,0.0,,,,,,,,0.0,,,0.0,,,,,0.0
COC(=O)c1cc(-c2cccc(OC)c2)on1,CID650706,,,,,,0.0,0.0,,,,,,0.0,0.0,,0.0,
CCCCNC(=O)c1cc(-c2ccc(F)cc2)on1,CID3236125,,,,0.0,,,0.0,0.0,,,,0.0,,,,,
COC(=O)c1cc(-c2ccccc2)on1,CID905953,,,,,,,,,0.0,,,,,,,,
CCN(CC)CCCNC(=O)c1cc(-c2cccc(Cl)c2)on1,CID3240493,0.0,,,,,0.0,,,,,,,,,,0.0,0.0
COc1ccccc1-c1cc(C(=O)NC(C)C)no1,CID3238240,,,0.0,,,0.0,,0.0,,0.0,,,0.0,,,,
CCN(CC)CCCNC(=O)c1cc(-c2ccc(Cl)cc2)on1,CID3243805,0.0,,,,,,,,,,,,,,,0.0,0.0
Cc1cc(-c2ccccc2C(=O)O)on1,CID666578,,,,,,0.0,,,0.0,,,,0.0,,,,
CCN(CC)CCCNC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)on1,CID3241489,0.0,,,,,,,,,,,,,,,,
COCCNC(=O)c1cc(-c2ccccc2OC)on1,CID5308650,,,,,,,,,,,,,,,0.0,0.0,
CCCCNC(=O)c1cc(-c2ccc(OC)c(OC)c2)on1,CID5308051,,0.0,,,,,,,,,,,,,,,
COC(=O)c1cc(-c2ccc(OC)cc2)on1,CID752781,,,,,,,,,,,,,,0.0,0.0,,
CCN(CC)c1nc(Nc2ccc(Cl)cc2)nc(OCC#N)n1,CID647226,,0.0,0.0,,,,,,,,,,,,,,
Cc1ccc(Nc2nc(N)nc(CC#N)n2)cc1,CID1249242,,0.0,0.0,0.0,,,,,,,,,,,,,
COc1nc(Nc2ccc(C(C)C)cc2)nc(OC)n1,CID692799,,,,,,,,,0.0,,,0.0,,0.0,0.0,,
CCOc1nc(Nc2cc(Cl)ccc2OC)nc(OCC)n1,CID1158970,,,,,,,,,,,,,,0.0,0.0,,
C=CCNc1nc(Nc2ccc(OC)cc2OC)nc(OCC)n1,CID2201235,,0.0,,0.0,,,0.0,,0.0,,,,,,,,
COC(=O)CC(=O)Cc1nc(N)nc(Nc2ccc(C)c(C)c2)n1,CID661099,,,,0.0,,,0.0,,,,,,0.0,,,,
CCOc1ccc(Nc2nc(Cl)nc(Cl)n2)cc1,CID779509,,,,,,,,,,,,,,0.0,,,
CCOC(=O)COc1nc(Nc2ccccc2C)nc(N(C)C)n1,CID662114,,0.0,0.0,0.0,,0.0,,,,,0.0,,0.0,,,,
COc1ccccc1Nc1nc(Cl)nc(NC(C)(C)C)n1,CID744431,,,,,,,,,,,,,,,0.0,,
COC(=O)CNc1nc(Cl)nc(Nc2ccc(C)cc2)n1,CID790428,,,,,,,,,,,,,,,0.0,,
Nc1nc(CSCCO)nc(Nc2ccccc2)n1,CID1831623,,,,,,,,,,0.0,,,,,,,
Nc1nc(CSCCO)nc(Nc2ccc(F)cc2)n1,CID1834857,,,,,,,,,,0.0,,,,,,,
COc1ccc(Nc2nc(N)nc(CSCCO)n2)cc1,CID2009411,,,,,,,,,,0.0,,,,,,,
CN(C)c1nc(Nc2ccc(Cl)cc2)nc(OCC#N)n1,CID662168,,,,,,,,,,,,0.0,,,,,
Cc1ccc(Nc2nc(N)nc(CSCCO)n2)cc1,CID1857272,,,,,,,,,,,0.0,,,,,,
COc1ccccc1Nc1nc(N)nc(CSCCO)n1,CID1621512,,0.0,,0.0,,,,,,0.0,,,,,,,
COc1cccc(Nc2nc(N)nc(C(F)(F)F)n2)c1,CID666865,0.0,0.0,,,,,,,0.0,,,,,,,,
CCOc1ccc(Nc2ncnc(N)n2)cc1,CID799232,,0.0,,0.0,,,0.0,,,,,,,,,,
COc1nc(Nc2ccc(O)cc2)nc(OC(C(F)(F)F)C(F)(F)F)n1,CID1259630,,,,,,,,,0.0,,,,,,,,
COc1nc(Nc2cccc(C(F)(F)F)c2)nc(OC)n1,CID329167,,0.0,,,0.0,,,,0.0,,,,,,,,0.0
CCOc1nc(Nc2ccc(OC)c(Cl)c2)nc(OCC)n1,CID1089220,,,,,,0.0,,,,,,,,,,,
C=CCNc1nc(Nc2ccc([N+](=O)[O-])cc2)nc(OCC)n1,CID3586413,,,,,,,,,,,,,,0.0,,,
CN(C)c1nc(N)nc(Nc2ccccc2C#N)n1,CID744712,,0.0,,,,,0.0,,,,,,,,,,
COc1ccc(Cl)cc1Nc1nc(N)nc(C(F)(F)F)n1,CID935530,,,,,,,,,0.0,,,,,,,,
CCOc1nc(Nc2ccc(OC)cc2)nc(OCC)n1,CID832190,,,,,,,,,,,,,,,0.0,,
COc1ccc(Nc2nc(N)nc(C(F)(F)F)n2)c(OC)c1,CID935674,,,,,,,0.0,,0.0,0.0,,,,,,,0.0
Nc1ncnc(Nc2ccccc2C(F)(F)F)n1,CID757416,0.0,0.0,,,,,0.0,,0.0,,,,,,,,
Nc1nc(Nc2cccc(C(F)(F)F)c2)nc(C(F)(F)F)n1,CID690744,,,,,,,,,0.0,,,,,,,,
Cc1c(Cl)cccc1Nc1nc(N)nc(CSCCO)n1,CID1635764,,,,,0.0,,0.0,,,0.0,,,,,,0.0,
Nc1ncnc(Nc2cccc(C(F)(F)F)c2)n1,CID704906,,,,,,,,,0.0,,,,,,,,
COc1nc(Nc2ccc(C(C)=O)cc2)nc(OC)n1,CID684507,,0.0,,,,,,,,,,,0.0,,0.0,,
CC(=O)c1ccc(Nc2nc(NCCO)nc(OC(C(F)(F)F)C(F)(F)F)n2)cc1,CID2267114,,,,,,,,,0.0,,,,,,,,
COc1nc(Nc2ccc(OC)c(Cl)c2)nc(OC)n1,CID975799,0.0,0.0,,,,,,,,,,,,0.0,,,
C=CCNc1nc(Nc2ccc(OC)cc2)nc(OC)n1,CID3146889,,,,,,,,,,,,0.0,,,,,
CN(C)c1nc(Nc2ccccc2)nc(N(C)C)n1,CID1090715,,,,,,,,,,,,0.0,,,,,
O=C(CSc1ncnc2ccccc12)NCCCO,CID2141449,,,,,,,,,,0.0,,,0.0,,,,
OCCNc1ncnc2ccc(Br)cc12,CID647709,0.0,,,,,,,,0.0,,,0.0,,,,0.0,0.0
Cc1ccc2ncnc(N(CC(C)C)CC(C)C)c2c1,CID719780,,,,,,0.0,,,,,,,,,,,
C/C(N)=C(/C#N)C(=O)CSc1ncnc2ccccc12,CID5742504,,,,,,,,,0.0,,0.0,,,,,,
CC(=O)NNc1ncnc2ccccc12,CID2543146,,,,,,,,,,,,,,0.0,,,
Cc1ccc2nc(SCCC#N)nc(C)c2c1,CID1904626,,,,,,,,,0.0,,,,0.0,,0.0,,
CCOC(=O)CCSc1nc(C)c2ccccc2n1,CID658986,,,0.0,0.0,,,,,,0.0,,0.0,,,0.0,,0.0
Cc1ccc2nc(SCC(=O)O)nc(C)c2c1,CID752288,,,0.0,0.0,,,,,,,,,,,,0.0,
COC(=O)CSc1nc(C(C)C)nc2ccccc12,CID652110,,,0.0,,,0.0,,0.0,,,,,,,,0.0,
CCCCCCCCNc1ncnc2ccccc12,CID9550933,,,,,,,,,,,,0.0,,,,,
COCCCNc1ncnc2ccc(C)cc12,CID1566034,,,,,,,,,,,,0.0,,,,,
CCOC(=O)CSc1nc(CC)nc2ccccc12,CID654420,,0.0,,,,,0.0,0.0,,,,,0.0,,,,0.0
CCCCC(Nc1ncnc2ccccc12)C(=O)O,CID2792414,,,,,,,,,,0.0,,,,,,,
Cc1cc2nc(SCC(=O)O)nc(C)c2cc1C,CID752291,,0.0,,,,,,0.0,,0.0,,,,,,,0.0
CCC(=O)/N=C(\N)Nc1nc(C)c2cc(OC)ccc2n1,CID1917214,,0.0,,0.0,,,,,,,,,,,,0.0,
CNc1nc(SC)nc2ccccc12,CID5193836,,,,,,,,,,,,,,0.0,,,
COc1ccc2nc(SCC(=O)O)nc(C)c2c1,CID661744,,,,0.0,,,,,0.0,,,0.0,,,,,
COCCNC(=O)COc1ncnc2ccc(Br)cc12,CID2572998,,,,,,,,,0.0,,,,,,,,
Cc1nc(SCCC(=O)O)c2ccccc2n1,CID588806,,,,0.0,,,0.0,0.0,,,,,,,,,
CC(C)CNC(=O)COc1ncnc2ccccc12,CID2121758,,,,,,,,,,,,0.0,,,,,
CCCSc1nc(C)c2cc(C)cc(C)c2n1,CID1833881,,,,,,,,,,0.0,,0.0,,,,,
CCOC(=O)CSc1nc(C)c2ccc(C)cc2n1,CID695283,,,,,,,,,,,0.0,0.0,,0.0,,,
CCOC(=O)CSc1nc(C)c2ccccc2n1,CID695281,,,,,,,,,,,,0.0,,,,,
CCOC(=O)CSc1nc(C)c2cc(OC)ccc2n1,CID695286,,,0.0,0.0,,,0.0,0.0,,,,,,,,,
C=CCNc1nc(C(=O)OCC)nc2ccccc12,CID4313811,,,,,,,,,,,,,,0.0,,,
COc1cc2cnc(Cl)nc2cc1OC,CID1818144,,,,,,,,,,,,,,0.0,0.0,,
C=CCNc1ncnc2ccccc12,CID1564642,,,0.0,0.0,,0.0,,,,,,,0.0,,,0.0,
CCN(CC)c1ncnc2ccc(Br)cc12,CID728962,,,,,,,,,0.0,,,,,,0.0,,
COc1ccc2nc(N/C(N)=N/C(=O)C(C)(C)C)nc(C)c2c1,CID661943,,,,,,,,0.0,,,,,,,,,
CCOC(=O)CCSc1nc(C)c2cc(C)ccc2n1,CID4140223,,,,,,,,,,,0.0,,,,,,
C/C(N)=C(/C#N)C(=O)COc1ncnc2ccccc12,CID5742536,,,,,,,,,,,,,0.0,,,,
C=CCNc1ncnc2ccc(Br)cc12,CID1560402,,,,,,,,,0.0,,,,,,,,
Cc1nc(N=C(N)N)nc2ccccc12,CID345657,,,,,,,,,,,,,,,0.0,,
CCC(CC)c1nc(NCCC(=O)O)c2ccccc2n1,CID729554,,,,,,,0.0,,,,,,,0.0,,,
Cc1cc(C)c2nc(SCCC#N)nc(C)c2c1,CID659065,,,0.0,0.0,,,,,,,,,,,,,
COc1ccccc1-c1nn2c(-c3ccc(C(C)(C)C)cc3)nnc2s1,CID663326,0.0,0.0,,,0.0,,0.0,,,0.0,,,,,,,
CCOc1ccc(-c2nn3c(-c4ccc(F)cc4)nnc3s2)cc1,CID2228943,0.0,0.0,,,0.0,,,,,,,,,,,0.0,
COc1ccc(-c2nnc3sc(-c4ccccc4OC)nn23)cc1,CID663036,0.0,,,,0.0,,0.0,,,,,,,,,,
Cc1cccc(-c2nnc3sc(-c4ccccc4C)nn23)c1,CID663443,,,,,0.0,,0.0,,,,,,,,,,
Cc1cccc(-c2nnc3sc(-c4ccccc4)nn23)c1,CID662605,0.0,,0.0,,,,,,,,0.0,,,,,,0.0
COc1ccc(-c2nnc3sc(-c4c(OC)cccc4OC)nn23)cc1,CID662102,0.0,,,,0.0,,,0.0,,,,,0.0,,,0.0,0.0
COc1cccc(-c2nnc3sc(-c4ccccc4)nn23)c1,CID663090,0.0,0.0,,,0.0,0.0,,0.0,,,,,,,,,
COc1ccc(-c2nn3c(-c4cccc(C)c4)nnc3s2)cc1OC,CID662820,0.0,,,,0.0,,,,,,,,,,,,
CN(C)c1ccc(-c2nn3c(-c4ccc(Cl)cc4)nnc3s2)cc1,CID663169,0.0,,0.0,0.0,0.0,,,,,,,,,,,,
Clc1ccc(-c2nn3c(-c4ccccc4)nnc3s2)cc1,CID661784,,0.0,0.0,0.0,0.0,0.0,,,,,0.0,,,,,,0.0
Clc1cccc(-c2nn3c(-c4cccc(Cl)c4)nnc3s2)c1,CID662415,,,,,,,,,0.0,,,,,,,,
COc1ccc(-c2nn3c(-c4ccc(F)cc4)nnc3s2)cc1,CID666433,0.0,0.0,,,0.0,0.0,,,,,0.0,,,,,0.0,
CCOc1ccc(-c2nn3c(-c4ccc(OC)cc4)nnc3s2)cc1,CID662962,0.0,0.0,,,0.0,0.0,0.0,,,,,,,,,,
CCOc1cccc(-c2nnc3sc(-c4ccc(C)cc4)nn23)c1,CID662567,0.0,,0.0,,0.0,0.0,,,,,,,,,,,
c1ccc(-c2nn3c(-c4ccccc4)nnc3s2)cc1,CID206167,,0.0,,,,0.0,,,,,0.0,,,,,1.0,
CCOc1ccc(-c2nnc3sc(-c4ccccc4OC)nn23)cc1,CID663156,0.0,,,,0.0,,0.0,0.0,,,,,,,,,
COc1cccc(-c2nnc3sc(-c4ccc(C)cc4)nn23)c1,CID662710,0.0,,,,0.0,0.0,,,,,,,,0.0,,0.0,
CCOc1cccc(-c2nnc3sc(-c4cc(OC)c(OC)c(OC)c4)nn23)c1,CID663426,0.0,,0.0,,0.0,,,0.0,,,,,,,,,
CCOc1cccc(-c2nnc3sc(-c4cc(OC)c(OC)cc4OC)nn23)c1,CID662504,0.0,,,,0.0,,,,,,,,,,,0.0,0.0
CCN(CC)c1ccc(-c2nn3c(-c4ccccc4OC)nnc3s2)cc1,CID662393,0.0,,,,0.0,,,,,,,,,,,,
COc1ccc(-c2nn3c(-c4ccccc4)nnc3s2)cc1,CID662977,0.0,,,,0.0,,0.0,,,0.0,,,0.0,,,,
Cc1ccc(-c2nn3c(-c4cccc(Cl)c4)nnc3s2)cc1,CID662575,,0.0,0.0,0.0,0.0,,,,,,0.0,,,,,,0.0
COc1cc(-c2nn3c(-c4cccc(C)c4)nnc3s2)cc(OC)c1OC,CID662306,0.0,,,,0.0,,0.0,,,,,,0.0,,0.0,,0.0
COc1ccccc1-c1nnc2sc(-c3ccc(N(C)C)cc3)nn12,CID663191,0.0,,,,0.0,,0.0,,,,,,,,,,
COc1cccc(OC)c1-c1nn2c(-c3ccccc3Cl)nnc2s1,CID662753,0.0,0.0,,,0.0,0.0,,,,0.0,0.0,0.0,,,0.0,,0.0
Clc1cccc(-c2nnc3sc(-c4ccccc4)nn23)c1,CID934001,,0.0,,0.0,0.0,,,,,,,,,,,,
COc1cccc(-c2nnc3sc(-c4ccc(Cl)cc4)nn23)c1,CID662542,0.0,,0.0,,0.0,,,,,,,,,,,,0.0
CCOc1ccc(-c2nnc3sc(-c4c(OC)cccc4OC)nn23)cc1,CID662486,,,,,0.0,,,0.0,,,0.0,,,,,0.0,0.0
Cc1ccccc1-c1nn2c(-c3ccccc3)nnc2s1,CID664696,,0.0,,0.0,,,,,,,,,,,,,
COc1cc(-c2nn3c(-c4ccccc4)nnc3s2)cc(OC)c1OC,CID661669,0.0,,,0.0,0.0,,0.0,0.0,,,0.0,,0.0,,,,
CCOc1ccc(-c2nn3c(-c4ccccc4)nnc3s2)cc1,CID937147,0.0,0.0,,,,,,,,,0.0,,,0.0,,0.0,
COc1ccc(-c2nn3c(-c4ccccc4)nnc3s2)cc1OC,CID661650,0.0,,,0.0,0.0,0.0,,,,,0.0,,,0.0,,,
CN(C)c1ccc(-c2nn3c(-c4ccccc4Cl)nnc3s2)cc1,CID662661,,,,0.0,0.0,0.0,0.0,,,,,,,,,,
COc1cccc(-c2nn3c(-c4cccc(C)c4)nnc3s2)c1,CID662453,0.0,,,,0.0,,,,,,,,,,,,
COc1ccccc1-c1nn2c(-c3ccccc3Cl)nnc2s1,CID932628,,,,0.0,0.0,0.0,,,,,,,0.0,,,,0.0
CCc1c(C)nc2cc(-c3ccc(OC)cc3)[nH]n2c1=O,CID3238840,,,0.0,,0.0,,,0.0,0.0,0.0,,,,,,,
CCOC(=O)CCc1c(C)nc2cc(-c3ccccc3OC)[nH]n2c1=O,CID5308974,,,,0.0,,,0.0,0.0,,,,,,,,,
CCOC(=O)Cc1c(C)nc2cc(-c3ccc(C(C)(C)C)cc3)[nH]n2c1=O,CID1311790,,,,,,,,,0.0,,0.0,0.0,,,,,
Cc1cc(=O)n2[nH]c(-c3ccccc3)cc2n1,CID737203,,0.0,0.0,,,,0.0,,,,,0.0,,,0.0,0.0,
Cc1cc(=O)n2[nH]c(-c3ccc(Cl)cc3)cc2n1,CID819028,0.0,0.0,,,,,,,,0.0,0.0,,,,,,0.0
CCCc1cc(=O)n2[nH]c(-c3ccc(C)cc3)cc2n1,CID652947,0.0,,,,,,,0.0,,,,,,,,,
Cc1nc2cc(-c3ccccc3Cl)[nH]n2c(=O)c1C,CID845857,,,,,,0.0,,,,,,,,,,,
CCOC(=O)CCc1c(C)nc2c(C)c(-c3ccccc3)[nH]n2c1=O,CID3152896,,,,,,0.0,,,,,,,,,,,
CCCc1cc(=O)n2[nH]c(-c3ccc(Br)cc3)cc2n1,CID694372,0.0,,,,,,,,0.0,,0.0,,,,,0.0,
CCCc1cc(=O)n2[nH]c(-c3cccc(Cl)c3)cc2n1,CID784608,,,,,,0.0,,,,,,,,,,,
CCOC(=O)Cc1cc(=O)n2[nH]c(-c3ccc(C)cc3)cc2n1,CID1078576,,,,,,,,,1.0,,0.0,,,,,,
CCOC(=O)CCc1c(C)nc2cc(-c3ccc(Cl)cc3)[nH]n2c1=O,CID651656,0.0,0.0,,,,,,,,0.0,,,,,,0.0,0.0
CCCc1cc(=O)n2[nH]c(-c3ccc(F)cc3)cc2n1,CID798562,,,,,,0.0,,,,,,,,,,,
CCCc1cc(=O)n2[nH]c(-c3ccccc3)cc2n1,CID757923,0.0,,0.0,0.0,,,,0.0,,,,,,,,0.0,
Cc1cc(=O)n2[nH]c(-c3ccc(F)cc3)cc2n1,CID647063,,,,,,,,0.0,,,,,,,,,
CCOC(=O)c1cnc2cc(-c3ccc(C)cc3)[nH]n2c1=O,CID810737,,,,,,0.0,,,,,,,,,,,
Cc1cc(=O)n2[nH]c(-c3ccc(C(C)(C)C)cc3)cc2n1,CID339730,,,,,,,,,,,,0.0,,,,,
COCc1cc(=O)n2[nH]c(-c3ccccc3)cc2n1,CID737233,,0.0,,,,0.0,,,,,,0.0,0.0,,0.0,,
CCOC(=O)CCc1c(C)nc2cc(-c3cccc(C)c3)[nH]n2c1=O,CID845863,,,,,,0.0,,,,,,,,,,,
CCOC(=O)CCc1c(C)nc2cc(-c3ccc(F)cc3)[nH]n2c1=O,CID798569,,,,,,,,0.0,,,,,,,,,
C=CCc1c(C)nc2cc(-c3ccc(C)cc3)[nH]n2c1=O,CID793400,,,,,,0.0,,,,,,,,,,,
CCCc1cc(=O)n2[nH]c(-c3ccc(C)cc3)c(C)c2n1,CID846030,,,,,,0.0,,,,,,,,,,,
CCOC(=O)Cc1cc(=O)n2[nH]c(-c3ccc(Cl)cc3)cc2n1,CID794163,,,,,,0.0,,,,0.0,0.0,,,,0.0,,
Cc1cc(=O)n2[nH]c(-c3ccccc3Cl)cc2n1,CID2888583,0.0,0.0,0.0,0.0,,,0.0,,,0.0,,0.0,0.0,,0.0,0.0,0.0
CCOC(=O)c1cc(=O)n2[nH]c(-c3ccc(C)cc3)cc2n1,CID655484,,0.0,0.0,,0.0,,,,,,,,,0.0,,0.0,
CCOC(=O)Cc1c(C)nc2cc(-c3ccc(C)cc3)[nH]n2c1=O,CID753216,,,,,0.0,,,,0.0,,,,0.0,,,,
CCOC(=O)Cc1c(C)nc2cc(-c3ccc(Cl)cc3)[nH]n2c1=O,CID753213,0.0,0.0,0.0,,,,,,,,0.0,,,,,,
CCOC(=O)c1cnc2c(C)c(-c3ccccc3)[nH]n2c1=O,CID764175,,,,,,,,,,,,,,0.0,,,
COCc1cc(=O)n2[nH]c(-c3ccc(C)cc3)cc2n1,CID761945,,,,,,,,,0.0,0.0,,,,,0.0,,
COCc1cc(=O)n2[nH]c(-c3cccc(Br)c3)cc2n1,CID761946,0.0,,,,,,,,0.0,,,0.0,,,,0.0,
CCOC(=O)Cc1cc(=O)n2[nH]c(-c3ccccc3)cc2n1,CID548838,,,,,,,,,0.0,,,,,,,,
CCCc1cc(=O)n2[nH]c(-c3cccc(C)c3)cc2n1,CID846028,,,,,,0.0,,,,,,,,,,,
C=CCc1c(C)nc2c(C)c(-c3ccc(C)cc3)[nH]n2c1=O,CID846027,,,,,,0.0,,,,,,,,,,,
COc1cc(-c2cc3nc(C)c(C)c(=O)n3[nH]2)cc(OC)c1OC,CID653664,,0.0,,,0.0,0.0,,0.0,,,,,0.0,,,,
CCOC(=O)Cc1cc(=O)n2[nH]c(-c3ccc(OC)cc3)cc2n1,CID1084421,,,0.0,,0.0,,,,,,0.0,,0.0,,0.0,0.0,0.0
COc1cc(NC(=O)CSc2ccccc2)c(C(=O)O)cc1OC,CID839551,,,,,,,,,,,,,,0.0,,,
CN(c1cccc(NC(=O)CSc2ccc(Cl)cc2)c1)S(C)(=O)=O,CID1318151,,,,,,,,,0.0,,,,,0.0,0.0,,
CC(=O)Oc1ccc(NC(=O)CSc2ccccc2)cc1,CID891318,,,,,0.0,,0.0,,,,0.0,,,0.0,,,
COc1ccc(NC(=O)C(C)Sc2ccccc2)cc1,CID2890263,,,,,,,,,0.0,,,,,,,,
COc1ccc(SCC(=O)Nc2ccccc2Cl)cc1,CID1486402,,,,,,,,,,,,,,0.0,,,
CC(C)(C)NC(=O)c1cccc(NC(=O)CSc2ccccc2)c1,CID977219,,,,,,0.0,,,,,,0.0,,,,,
COc1cc(Cl)c(C)cc1NC(=O)CSc1ccc(C)cc1,CID974707,,,,,,,,,,,,,,0.0,,,
Cc1ccc(SCC(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)cc1,CID2204149,,,,,,0.0,,,,,,,,,,,
Cc1ccc(SCC(=O)Nc2ccccc2)cc1,CID788756,,,,,,0.0,,,,,,,,,,,
NC(=O)c1ccc(SCC(=O)Nc2ccc(F)cc2)c([N+](=O)[O-])c1,CID2573092,,,,,,,,,,,,,,0.0,,,
CSc1cccc(NC(=O)CSc2ccccc2)c1,CID892835,,,,,0.0,,,,,0.0,,,,,,,
COC(=O)c1ccccc1NC(=O)CSc1ccccc1,CID2272355,0.0,,,,0.0,,0.0,0.0,,,,,,,,,
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CSc2ccccc2)c1,CID2914927,,,,,,,,,,,,,,,0.0,,
CC(=O)Nc1ccc(SCC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1,CID2081953,,,,,,,,,,,,0.0,,,,,
COc1ccc(C)cc1NC(=O)CSc1ccc(Cl)cc1,CID894454,,,,,,,,,,,,,,0.0,,,
Cc1ccc(SC(C)C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1,CID2947386,,,,,,,,,,0.0,,,,,,,
CCOc1ccccc1NC(=O)CSc1ccccc1,CID879968,,,0.0,,0.0,0.0,0.0,,,,,,,,,,
COc1ccc(OC)c(NC(=O)CSc2ccccc2)c1,CID532046,,,0.0,,0.0,,0.0,,0.0,,,,,0.0,,,
CC(Sc1ccccc1)C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1,CID2942864,,,0.0,,,,0.0,,,0.0,0.0,,,,,,0.0
Cc1ccccc1SCC(=O)Nc1cccc(C#N)c1,CID2110284,,,,,,,,,,,,0.0,,,0.0,,
CCOC(=O)c1ccccc1NC(=O)CSc1ccccc1,CID846473,,,,,,,,,,,,0.0,,,,,
O=C(CSc1ccccc1C(=O)O)Nc1cccc(C(=O)O)c1,CID667048,,,0.0,,0.0,0.0,,,0.0,,,,,0.0,,0.0,
Cc1cccc(NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])c1C,CID2533210,,,,,,,,,,,,,,0.0,,,
COc1cc(Cl)c(C)cc1NC(=O)CSc1ccc(NC(C)=O)cc1,CID2540390,,,,,,,,,,,,,,,0.0,,
CC(=O)NS(=O)(=O)c1ccc(NC(=O)CSc2ccc(C)cc2)cc1,CID1214403,,,,,,,,,,,,,,0.0,,,
CSc1cccc(NC(=O)CSc2ccc(Cl)cc2)c1,CID895887,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccc(SCC(=O)Nc2ccccc2C(=O)O)cc1,CID816078,,,,,,,,,0.0,,,,,0.0,,,
O=C(CSc1ccccc1)Nc1ccccc1C(=O)O,CID882553,,,,,,,,,0.0,,,0.0,,0.0,,,
COc1ccc(NC(=O)CSc2ccccc2)c(OC)c1,CID846468,,,,,,,,,,0.0,,,,0.0,,,
COc1ccc(NC(=O)CSc2ccc(C)cc2)cc1,CID788761,,,,,,,,,,0.0,0.0,,,,,,
N#Cc1cccc(NC(=O)CSc2ccccc2)c1,CID894960,,,,,0.0,,,0.0,,,,,0.0,,,0.0,0.0
CCOc1ccccc1NC(=O)CSc1ccc([N+](=O)[O-])cc1,CID2540102,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccc(NC(=O)CSc2ccccc2)cc1,CID807677,,,,,,,,,,,,,,0.0,,,
COC(=O)c1cc(OC)c(OC)cc1NC(=O)CSc1ccc(C)cc1,CID1239988,,,,,,,,,,,,,,0.0,,,
CC(=O)Nc1ccc(SCC(=O)N(CCC#N)c2ccc(C)cc2)cc1,CID2086771,,,,,0.0,0.0,0.0,,,,,0.0,,,0.0,0.0,
CC1CCCC(C)N1C(=O)Nc1cccc(Cl)c1,CID2839106,0.0,,,,,,,,,,,,,,,0.0,0.0
CC(C)N(C)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1,CID3235800,0.0,,,,,,,,,,,,,,,,0.0
COC(=O)C1CCN(C(=O)Nc2ccc(OC)cc2)CC1,CID895195,,,,,,0.0,,,,,,0.0,,,,,
CCCCNC(=O)C1CCN(C(=O)Nc2ccc(C)cc2)CC1,CID3222736,,,,,,,,,,,0.0,,,,,,
NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1,CID769265,,,,,,,,,,,,0.0,,,,0.0,
Cc1ccc(NC(=O)N2CCC(NC(=O)C(C)(C)C)CC2)cc1,CID3218403,,,,,,0.0,,,,,,0.0,,,,,
COCCCN(C)C1CCN(C(=O)Nc2ccc(F)cc2)CC1,CID5307585,,,,,,,,0.0,,,,0.0,0.0,,,,
CC1CC(C)CN(C(=O)Nc2ccc(Br)cc2)C1,CID6467567,,,,,,,,,,,,,,0.0,,,
O=C(Nc1ccc(Br)cc1)N1CCCCC1,CID694497,,,,,,,,,,,,,,,0.0,,
CCOC(=O)C1CCN(C(=O)Nc2ccccc2Cl)CC1,CID713037,0.0,0.0,,0.0,,,0.0,0.0,,,,,0.0,0.0,,0.0,
CC(C)CCN(C)C1CCN(C(=O)Nc2c(F)cccc2F)CC1,CID4063197,0.0,,,,,,,,,,,,,,,,
CCOC(=O)C1CCCN(C(=O)Nc2cccc(Cl)c2)C1,CID2972598,0.0,0.0,0.0,,,,0.0,,,0.0,,,,,,0.0,0.0
O=C(Nc1ccccc1C(F)(F)F)N1CCCC(O)C1,CID3237769,,,,,,,,,0.0,,,,,,,,
COCC(=O)NC1CCN(C(=O)Nc2ccc(Br)cc2)CC1,CID651185,0.0,,,,,,0.0,,,,0.0,0.0,,,,0.0,
CCOCCCNC(=O)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1,CID655053,0.0,0.0,0.0,,,,,0.0,,,0.0,,,,,,0.0
O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCCC(O)C1,CID3236653,,,,,,,0.0,,,,,0.0,,,,,
COCCCNC(=O)C1CCCN(C(=O)Nc2ccc(OC)cc2)C1,CID650630,,,,,,,,,,,,,0.0,,,,
CCOCCCNC(=O)C1CCN(C(=O)Nc2ccc(C)cc2)CC1,CID651583,,0.0,,,,,,,0.0,,,0.0,,,,,0.0
CC1CCCCN1C(=O)Nc1cccc(Cl)c1,CID645357,0.0,,0.0,0.0,,,,,,0.0,,,,0.0,,0.0,
CCOC(=O)C1CCCN(C(=O)Nc2ccccc2)C1,CID2973554,,,,,,,,,,0.0,,,,,,,
CCC(C)NC(=O)C1CCCN(C(=O)Nc2ccc(F)cc2)C1,CID646179,,,0.0,0.0,,,,,,,,,,,,,
CCC1CCCCN1C(=O)Nc1ccc(F)cc1,CID2957778,,,,,,,,,,,,,,,,,0.0
CCOC(=O)C1CCN(C(=O)Nc2cccc(Cl)c2)CC1,CID735915,,,,,,,,,,0.0,,0.0,,,,,
CCOC(=O)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1,CID748331,0.0,,,,,,,0.0,,0.0,,,0.0,,,0.0,0.0
Cc1ccc(NC(=O)N2CCC(C(=O)NCC(C)C)CC2)cc1,CID649738,,,0.0,0.0,,0.0,,0.0,,0.0,,0.0,,,,,
CC(C)N(C)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1,CID3241350,0.0,,,,,,0.0,,,,,,,,,,
COCCCNC(=O)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1,CID652537,0.0,,,0.0,,,0.0,0.0,,,,,,,0.0,0.0,
CCOC(=O)C1CCN(C(=O)Nc2ccc(Cl)cc2Cl)CC1,CID895061,,,,,,,,,,,,,0.0,,,,
CC(=O)Nc1ccc(NC(=O)N2CCCCC2)cc1,CID646871,,,,,,,0.0,0.0,,0.0,,0.0,0.0,,,,
CCN(CC)C(=O)C1CCCN(C(=O)Nc2ccccc2)C1,CID2980403,,,,,,,,,0.0,0.0,,,,,,,
O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCCCC1,CID270383,,,,,,,,,,,,,,,0.0,,
COc1ccc(NC(=O)N2CCCCC2)cc1,CID200753,,0.0,,0.0,,,,,,0.0,,0.0,0.0,0.0,,0.0,0.0
Cc1ccc(NC(=O)N2CCC(C(N)=O)CC2)cc1,CID1942358,,0.0,0.0,,,,0.0,0.0,,,,0.0,,,,0.0,
CCOC(=O)C1CCN(C(=O)Nc2ccc(OC)c(OC)c2)CC1,CID2227058,,,0.0,,,,,0.0,,,,0.0,,0.0,,0.0,
Cc1nn2c(N)c(C#N)cnc2c1-c1ccccc1,CID619301,,,,,,,,,,,,,,0.0,0.0,,
Cc1cc(N)n2ncc(-c3cccc(Br)c3)c2n1,CID675416,,,,,,,,,0.0,,,,,,,,0.0
Cc1cc(C(F)(F)F)n2ncc(-c3ccccc3)c2n1,CID701718,,,,0.0,,,0.0,,,,,,,,,,
CCOC(=O)c1cnc2c(-c3ccc(Cl)cc3)cnn2c1C,CID754762,,,,,,,,,,,,,,0.0,,,
CC(=O)c1cnc2c(-c3ccccc3)c(C)nn2c1C,CID754766,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1cnc2c(-c3ccccc3)c(C)nn2c1N,CID654938,,0.0,,,,0.0,0.0,,,,,,,,,0.0,0.0
COc1ccc(-c2cnn3c(N)c(S(=O)(=O)C(C)(C)C)cnc23)cc1,CID1481763,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1cnc2c(-c3cccc(Br)c3)cnn2c1C,CID1003221,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1cnc2c(-c3ccc(Cl)cc3)c(C)nn2c1N,CID2201268,,,,,,,,,,,,,,,0.0,,
CCOC(=O)Cc1c(C)nc2c(-c3ccccc3)cnn2c1C,CID754733,,,,,,,,,,,,,,,0.0,,
CC(C)(C)S(=O)(=O)c1cnc2c(-c3ccc(F)cc3)cnn2c1N,CID1474451,,,,,,,,,,,,0.0,,,0.0,,
CC(=O)c1cnc2c(-c3ccc(Cl)cc3)cnn2c1C,CID1079879,,,,,,,,,,,0.0,,,0.0,,,
CS(=O)(=O)c1cnc2c(-c3ccc(F)cc3)cnn2c1N,CID1477913,,,,,,,,,,,,0.0,,,,,
Cc1cc(N)n2ncc(-c3ccccc3)c2n1,CID652106,,0.0,0.0,,,,,,,,,,,,,0.0,0.0
COc1ccccc1-c1c(C)nn2c(C)c(C(C)=O)cnc12,CID2201513,,,,,,,0.0,,0.0,,,,,0.0,0.0,0.0,
COCCNc1cc(C)nc2c(-c3ccccc3OC)c(C)nn12,CID3355848,,,,,,,,,,,,,0.0,,,,
CCOC(=O)c1cnc2c(-c3ccccc3OC)c(C)nn2c1C,CID2202559,,,,,,,,,,,,,,0.0,,,
Cc1cc(N)n2nc(C)c(-c3ccccc3)c2n1,CID1079884,,,,,,,,,,,,0.0,,0.0,0.0,,
COCc1nn2c(N)c(C#N)cnc2c1-c1ccccc1,CID2235995,,0.0,,0.0,,,0.0,,,,,0.0,0.0,,,,0.0
CCOC(=O)Cc1c(C)nc2c(-c3ccc(OC)cc3)c(C)nn2c1C,CID1090949,,,,,,,,,,,,,,0.0,,,
CCOC(=O)Cc1c(C)nc2c(-c3cccc(Br)c3)cnn2c1C,CID2290638,,,,,,,,,,,,,,,0.0,,
Cc1nc2c(-c3ccccc3)c(C)nn2c(C)c1CCC(=O)O,CID3163256,,0.0,0.0,,,,0.0,,,,,,,,,,
CC(=O)c1cnc2c(-c3cccc(Br)c3)cnn2c1C,CID808368,,,,,,,,,,,,,,,0.0,,
C=CCSc1cc(C)nc2c(-c3ccc(Cl)cc3)c(C)nn12,CID1835590,,,,,,0.0,,,,,,,,,,,
COc1ccccc1-c1c(C)nn2c(C)cc(C)nc12,CID3156106,,0.0,,,,,0.0,,,,,,0.0,,,0.0,
CC(=O)c1cnc2c(-c3ccccc3)cnn2c1C,CID641891,,,,,,,,,,,,,,,0.0,,
Nc1c(C(=O)O)cnc2c(-c3ccc(Cl)cc3)cnn12,CID1481758,,,,,,,,,,,,,,,0.0,,
Cc1cc(NCCOCCO)n2ncc(-c3ccc(Cl)cc3)c2n1,CID666093,0.0,,0.0,,,,0.0,,,0.0,,,,,0.0,0.0,0.0
Cc1cc(SCC#N)n2nc(C)c(-c3ccccc3)c2n1,CID665776,0.0,0.0,0.0,,,,,,,,,,,,,,
CCSc1cc(C)nc2c(-c3ccc(Cl)cc3)c(C)nn12,CID3549318,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1cnc2c(-c3ccccc3)cnn2c1N,CID649053,,,,0.0,,,,0.0,,,,,,0.0,0.0,0.0,
CCOC(=O)Cc1c(C)nc2c(-c3ccccc3)c(C)nn2c1C,CID686632,,,,,,,,,,,,,,0.0,,,
Cc1cc(N)n2ncc(-c3ccc(F)cc3)c2n1,CID1474460,,,,,,,,,,,,0.0,,,,,
COCCNC(=O)CCc1c(C)nc2c(-c3ccc(F)cc3)c(C)nn2c1C,CID9550748,,,,,,,,,,,,,,0.0,,,
C#CCN1C(=O)C(O)(CC(=O)c2cc(OC)ccc2OC)c2ccccc21,CID2927534,,,,0.0,,,0.0,,,,,,,,,0.0,0.0
C=CCN1C(=O)C(O)(CC(=O)c2ccc(Cl)cc2)c2ccccc21,CID2925037,,0.0,,,,0.0,,,,,,,,,,0.0,0.0
CS(=O)(=O)Nc1cccc(C(=O)CC2(O)C(=O)Nc3ccccc32)c1,CID646040,,,,0.0,,,,,,,,,,,,0.0,
C#CCN1C(=O)C(O)(CC(=O)c2ccc(OC)c(OC)c2)c2ccccc21,CID2909007,,,,,,,0.0,,,,0.0,0.0,,,,,
O=C(CC1(O)C(=O)Nc2ccccc21)c1ccccc1,CID99051,,,,,0.0,,,,,,0.0,,,,,,0.0
CCS(=O)(=O)Nc1ccc(C(=O)CC2(O)C(=O)Nc3ccccc32)cc1,CID647012,,,0.0,0.0,,,,,0.0,,,,,,,,
NC(=O)CN1C(=O)C(O)(CC(=O)c2ccccc2O)c2ccccc21,CID2925127,,,,,0.0,,0.0,,,0.0,,,,,0.0,,
CCCCN1C(=O)C(O)(CC(=O)c2ccccc2OC)c2ccccc21,CID2944698,,,,,,,,,,0.0,0.0,,,,,,0.0
Cc1ccc(Cl)c2c1NC(=O)C2(O)CC(=O)c1ccccc1O,CID655686,,,,,,,,,,,0.0,,,,,0.0,
CCOC(=O)CN1C(=O)C(O)(CC(=O)c2cccc(OC)c2)c2ccccc21,CID667132,,0.0,,,,0.0,0.0,,,,,,0.0,,,,
COC(=O)CN1C(=O)C(O)(CC(=O)c2ccc(Br)cc2)c2ccccc21,CID5309462,0.0,,,,,,,,,,,0.0,,,,,0.0
CCCN1C(=O)C(O)(CC(=O)c2cccc(OC)c2)c2ccccc21,CID2966650,,,0.0,,,,0.0,,,,,,0.0,,,0.0,0.0
C=CCN1C(=O)C(O)(CC(=O)c2ccc(N)cc2)c2ccccc21,CID2925029,,0.0,0.0,,,0.0,,,,,,0.0,0.0,,,,
CCS(=O)(=O)Nc1ccc(C(=O)CC2(O)C(=O)Nc3ccc(Br)cc32)cc1,CID3238764,0.0,,,,,,,,0.0,,,,,,,0.0,
CC(=O)C(C(=O)c1ccccc1)C1(O)C(=O)Nc2ccccc21,CID595688,,,,,,0.0,,,,,,,,,,,
Cc1cc(C)c(C(=O)CC2(O)C(=O)Nc3ccccc32)cc1C,CID3242879,,0.0,,,,,,0.0,,,,,0.0,,,,
CN1C(=O)C(O)(CC(=O)c2ccccc2O)c2cc(Br)ccc21,CID2940070,0.0,,,,,,,,,,,,,,,0.0,
COC(=O)CN1C(=O)C(O)(CC(=O)c2ccc(C)cc2)c2ccccc21,CID652655,,0.0,,0.0,,,0.0,,,,,,,,,,
CCc1ccc(C(=O)CC2(O)C(=O)Nc3ccccc32)cc1,CID2888012,,,,,,0.0,,,,,,,,,,,
COC(=O)CN1C(=O)C(O)(CC(=O)c2ccc(Cl)cc2)c2ccccc21,CID2939448,,0.0,,,,,,,,0.0,0.0,,,,,0.0,
CN1C(=O)C(O)(CC(=O)c2ccc(F)cc2)c2cc(Br)ccc21,CID2939541,0.0,,,,,,,,0.0,,0.0,,,,0.0,,0.0
Cc1ccc(C)c(C(=O)CC2(O)C(=O)N(C)c3ccccc32)c1,CID2914396,,,,,,,,0.0,,,,0.0,,0.0,,,0.0
C=CCN1C(=O)C(O)(CC(=O)c2ccccc2)c2ccccc21,CID651977,,,0.0,0.0,,,,,,,,,,,,,
O=C(CC1(O)C(=O)Nc2ccccc21)c1ccc(Cl)cc1,CID326411,,,,,,0.0,,,,,,,,,,,
COC(=O)CN1C(=O)C(O)(CC(=O)c2cccc(Br)c2)c2ccccc21,CID2937814,0.0,,,,,,,,0.0,,0.0,,,,,,
COC(=O)CN1C(=O)C(O)(CC(=O)c2ccc(C)cc2)c2cc(Br)ccc21,CID5309295,0.0,,,,,,0.0,,,,,,,,,,
CCN1C(=O)C(O)(CC(=O)c2cc(C)ccc2C)c2ccccc21,CID645159,,,,,,,0.0,,,,0.0,,,,,,0.0
Cc1ccc(C(=O)CC2(O)C(=O)N(C)c3ccc(Br)cc32)c(C)c1,CID5308874,0.0,,,,,,,,,,,0.0,,0.0,,,
C=CCN1C(=O)C(O)(CC(=O)c2ccc(OC)cc2OC)c2cc(Br)ccc21,CID2967912,,,,,,,,,,,0.0,,,,,,0.0
Cc1ccc(C(C)C)cc1C(=O)CC1(O)C(=O)N(C)c2ccccc21,CID666942,,,0.0,,,0.0,0.0,,,,0.0,,,,,0.0,0.0
Cc1ccc(C)c(C(=O)CC2(O)C(=O)Nc3ccccc32)c1,CID647072,,,,,,,,,,,,,,,,,0.0
C#CCN1C(=O)C(O)(CC(=O)c2cccc(OC)c2)c2ccccc21,CID666594,,,0.0,,,,0.0,,,,,,,,0.0,,0.0
COC(=O)CN1C(=O)C(O)(CC(=O)c2ccccc2)c2ccccc21,CID2924675,,,0.0,,,,0.0,,,,,,,,,,0.0
CCS(=O)(=O)Nc1cccc(C(=O)CC2(O)C(=O)Nc3ccccc32)c1,CID654118,,,,,,,,0.0,0.0,,,,,,,0.0,
CC(=O)c1ccc(NC(=O)C(C)Sc2nnnn2C)cc1,CID2999535,,0.0,,0.0,,0.0,,0.0,,,,,0.0,,,0.0,
Cn1nnnc1SCC(=O)Nc1ccccc1Cl,CID864606,,0.0,,,,,,,,,0.0,,,,,0.0,0.0
COc1cccc(NC(=O)CSc2nnnn2C(C)C)c1,CID654803,,0.0,,0.0,,,,,0.0,,0.0,0.0,,,,,
Cn1nnnc1SCC(=O)Nc1c(Cl)cccc1Cl,CID901004,,,,,,,0.0,,,,,,,0.0,,0.0,
C=CCn1nnnc1SCC(=O)Nc1cccc(OC)c1,CID1300331,,,0.0,0.0,,,,0.0,0.0,,0.0,,,,,0.0,
CC(=O)Nc1cccc(NC(=O)CSc2nnnn2C(C)C)c1,CID647370,,,,,0.0,,,0.0,,,0.0,,,,,,
CCOC(=O)c1cccc(NC(=O)CSc2nnnn2CC)c1,CID656236,,0.0,,,,,,,0.0,,,,0.0,,,,0.0
CCn1nnnc1SCC(=O)Nc1cc(OC)cc(OC)c1,CID655782,,0.0,,,,,,0.0,0.0,,,0.0,,,,0.0,0.0
CCCCn1nnnc1SCC(=O)Nc1ccc(C)cc1,CID653151,,0.0,,0.0,0.0,0.0,,,,0.0,0.0,,,,,0.0,
CC(=O)Nc1cccc(NC(=O)CSc2nnnn2C)c1,CID1301815,,0.0,0.0,0.0,,,,,,0.0,,,,,,,0.0
CCC(=O)Nc1ccc(NC(=O)CSc2nnnn2CC)cc1C,CID644663,,0.0,,,0.0,,,0.0,,0.0,0.0,,0.0,,,,
CCOC(=O)c1cccc(NC(=O)CSc2nnnn2C)c1,CID649405,,0.0,,0.0,,,,,,,,0.0,,,,,0.0
CCC(Sc1nnnn1C)C(=O)Nc1ccc(C(C)=O)cc1,CID660696,,0.0,,0.0,,,,,,,,0.0,0.0,,,0.0,
CCCn1nnnc1SCC(=O)Nc1ccc(F)cc1,CID644910,0.0,0.0,,,,,,,,0.0,,,,0.0,,0.0,
CCOc1ccc(NC(=O)C(C)Sc2nnnn2C)cc1,CID2944101,,0.0,,0.0,,,,0.0,,0.0,0.0,,,,,0.0,
CCC(=O)Nc1ccc(NC(=O)CSc2nnnn2C(C)C)cc1,CID647739,,0.0,,,0.0,,0.0,,,,0.0,,,,,,
CCn1nnnc1SCC(=O)Nc1cccc(NC(C)=O)c1,CID648551,,,,,0.0,,,,,0.0,,,0.0,,0.0,0.0,
C=CCn1nnnc1SCC(=O)Nc1ccccc1C(=O)OC,CID973400,,,,0.0,,,,0.0,0.0,,,,0.0,,,0.0,
CCn1nnnc1SCC(=O)Nc1ccc(OC)cc1,CID864256,,,,,,,,,,0.0,0.0,0.0,,,0.0,,
O=C(O)Cn1nnnc1SCC(=O)Nc1ccc(OC(F)(F)F)cc1,CID1264043,,,,,0.0,,,,,0.0,,,,,,,
CCCCOc1ccccc1NC(=O)CSc1nnnn1C(C)(C)C,CID3240376,0.0,,,,0.0,0.0,,,,,0.0,,,,,0.0,
COC(=O)c1cccc(NC(=O)CSc2nnnn2C)c1,CID653681,,0.0,,,,,0.0,,,0.0,,,,,,0.0,
CCC(=O)Nc1cccc(NC(=O)CSc2nnnn2C)c1,CID650332,,0.0,,,0.0,,,,,,,,,,0.0,,
Cn1nnnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1,CID689210,,,,,,,,,,,,,,,0.0,,
COc1ccccc1NC(=O)CSc1nnnn1C,CID2292924,,0.0,,0.0,,,,,,,,0.0,,,,,
CCCCOc1ccc(NC(=O)CSc2nnnn2C)cc1,CID2164243,,0.0,,,,,,0.0,,0.0,,,,,,,
CCCCn1nnnc1SCC(=O)Nc1ccc(F)cc1,CID655512,0.0,,,,,,,,,0.0,,,0.0,,,0.0,
CCOc1ccc(OCC)c(NC(=O)CSc2nnnn2CC)c1,CID1169788,,,,,,,,,0.0,,,,,,0.0,,
Cc1cccc(C)c1NC(=O)CSc1nnnn1C,CID654446,,0.0,,0.0,,,,,,,0.0,,,,0.0,,
Cc1ccccc1NC(=O)CSc1nnnn1C,CID2368202,,,,,,,,0.0,,,,0.0,0.0,,,,
O=C(O)Cn1nnnc1SCC(=O)Nc1ccc(F)cc1F,CID714841,,,,,,,,,,,,,,0.0,,,
COc1ccccc1NC(=O)C(C)Sc1nnnn1C,CID2999385,,,,,,,,0.0,,,,,,,0.0,,0.0
CCOC(=O)c1ccccc1NC(=O)CSc1nnnn1C,CID864609,,,,,,,,,0.0,0.0,0.0,0.0,,,,,
CCOc1ccc(NC(=O)CSc2nnnn2CC(=O)O)cc1,CID646818,,,,0.0,,,,0.0,,0.0,,,,,,,0.0
CC(C)OCCCNC(=O)c1ccc(NC(=O)C2CCCO2)cc1,CID3244061,,,0.0,,,,,,,,,,,,,,
CCOC(=O)c1ccc(NC(=O)C2CCCO2)cc1,CID648218,,,,0.0,,0.0,,,,,,,,,,,0.0
CCOc1cc(NC(=O)C2CCCO2)c(OCC)cc1NC(C)=O,CID648903,0.0,0.0,,,0.0,,0.0,0.0,0.0,,,,0.0,,,,
COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCCO1,CID2931477,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1cccc(NC(=O)C2CCCO2)c1,CID2948267,,,,,,,,,,0.0,,,,,,,0.0
CCc1cccc(C)c1NC(=O)C1CCCO1,CID2933365,,0.0,0.0,,,0.0,0.0,,0.0,0.0,,,0.0,,,0.0,
CCCCOC(=O)c1ccc(NC(=O)C2CCCO2)cc1,CID2931826,,,0.0,0.0,,,0.0,,0.0,,0.0,,,,,,0.0
CCCOC(=O)c1ccc(NC(=O)C2CCCO2)cc1,CID2931009,,,,,,,,,,,,,,,,0.0,
Cc1cc(Br)ccc1NC(=O)C1CCCO1,CID2941721,0.0,,,,,,,,,,,0.0,,,,,
O=C(O)c1ccc(Cl)cc1NC(=O)C1CCCO1,CID2940840,,,,,,,,,,,,,,0.0,,0.0,0.0
COc1ccc(Cl)cc1NC(=O)C1CCCO1,CID2886504,0.0,,,0.0,,,,,,,,,,,,0.0,0.0
COC(=O)c1cc(NC(=O)C2CCCO2)cc(C(=O)OC)c1,CID2932403,,,,,,,0.0,,,,,,,,0.0,,
CCC(C)c1ccccc1NC(=O)C1CCCO1,CID2948737,,,,,,,,,,0.0,,,,,,,
CCCCNC(=O)c1ccc(NC(=O)C2CCCO2)cc1,CID3244920,,,0.0,,,,,,,,,,0.0,,,,0.0
CSc1ccccc1NC(=O)C1CCCO1,CID2970624,,,,0.0,0.0,,,,,,,,,,,,0.0
O=C(O)COc1cccc(NC(=O)C2CCCO2)c1,CID2977256,,,,0.0,,,0.0,0.0,,,,,,,,,
CCC(C)NC(=O)c1ccc(NC(=O)C2CCCO2)cc1,CID3242998,,,0.0,,0.0,,,,0.0,0.0,,,,,,,0.0
CCOC(=O)c1cc(NC(=O)C2CCCO2)cc(C(=O)OCC)c1,CID2970451,,,,,,,,,,0.0,,,,,,,
CCN(CC)S(=O)(=O)c1ccc(NC(=O)C2CCCO2)cc1,CID3155134,,,,,,,,,0.0,0.0,,0.0,,,0.0,,
CC(C)NC(=O)c1ccccc1NC(=O)C1CCCO1,CID2974855,,,,,,,,,,,,,,0.0,,,
O=C(Nc1c(F)cc(F)cc1Br)C1CCCO1,CID2970948,0.0,,,,,,,,,,,,,,,,
COC(=O)c1cc(OC)c(OC)cc1NC(=O)C1CCCO1,CID2970772,,,,,,,0.0,,,,,,0.0,,,,0.0
O=C(Nc1ccc(O)cc1)C1CCCO1,CID2977397,,,,,,0.0,,,,,,,,,,,
COC(=O)COc1ccc(NC(=O)C2CCCO2)cc1,CID2974112,,,,,,,,,,0.0,,,,,,0.0,0.0
CCCCc1ccc(NC(=O)C2CCCO2)cc1,CID3642785,,,,,,,,0.0,,0.0,,,,,,,
COC(=O)c1ccc(NC(=O)C2CCCO2)cc1,CID649394,,,0.0,,,,,,,0.0,,,,,,0.0,0.0
CC(C)CNC(=O)c1cccc(NC(=O)C2CCCO2)c1,CID2977042,0.0,0.0,0.0,,,,0.0,,0.0,0.0,,,,,,,
O=C(O)c1cc(Cl)ccc1NC(=O)C1CCCO1,CID2942877,,0.0,,,,,,,,,,,,,,0.0,0.0
O=C(Nc1cc(Cl)ccc1O)C1CCCO1,CID2977899,,0.0,,,,,,,,,,,,,,0.0,
O=C(O)c1cccc(NC(=O)C2CCCO2)c1,CID2977517,,,,,,0.0,,,,,,,,,,,
CCc1cc(Br)ccc1NC(=O)C1CCCO1,CID2970472,0.0,,,,,,,,,,,0.0,,,,,0.0
COc1ccc(NC(=O)C2CCCO2)cc1OC,CID2970691,,,,,,0.0,,,,,,,,,,,
NC(=O)c1ccc(NC(=O)C2CCCO2)cc1,CID3155148,,,,,,,,,,,0.0,,,,,,
COc1cc(NC(=O)C2CCCO2)c(OC)cc1Cl,CID3155145,,,,,,,,,,0.0,,,,,,,
Cn1cnnc1SCC(=O)Nc1cccc(C(=O)O)c1,CID2385861,,,,,,,,,,,,,,,0.0,,
CCC(Sc1nncn1C)C(=O)Nc1ccccc1OC,CID3152989,,,0.0,,,,,,0.0,,,,,,0.0,,
CCC(=O)Nc1cc(NC(=O)CSc2nnc(C(C)C)n2CC)ccc1C,CID653583,0.0,,,,,,,,,0.0,,,,,,,
CCCc1nnc(SCC(=O)Nc2ccc(OCC)cc2)n1N,CID659667,,0.0,,,,,,,,,,,,,,,
CCn1c(SCC(=O)Nc2cccc(C(C)=O)c2)nnc1C(C)C,CID653605,,,,,,,,0.0,,0.0,,,,0.0,,0.0,
COCCn1c(SCC(=O)Nc2cccc(C)c2)nnc1C(C)C,CID647190,,,0.0,,,0.0,,,,,0.0,,,,,0.0,
Cn1cnnc1SCC(=O)Nc1ccc(Br)cc1F,CID2380749,,,,,,,,,,,,,,,0.0,,
Cn1cnnc1SCC(=O)Nc1ccccc1,CID754039,,,,0.0,,,,0.0,,0.0,,0.0,0.0,,,,
COc1ccc(NC(=O)CSc2nncn2C)cc1OC,CID705246,,,,,,,,,,0.0,,0.0,,,,,
CCOc1ccc(NC(=O)CSc2nnc(C)n2CCCOC)cc1,CID646222,,,,,,,0.0,,,,,,,,,0.0,0.0
COC(=O)c1ccc(NC(=O)CSc2nncn2C)cc1,CID855557,,0.0,,0.0,,0.0,,,0.0,,,,,,,,0.0
CCSCc1nnc(SCC(=O)Nc2cccc(C(C)=O)c2)n1C,CID2233375,,,,,,,,,,,,,,,0.0,,
CCn1c(SCC(=O)Nc2cccc(NC(C)=O)c2)nnc1C(C)C,CID650876,,,0.0,,,,,,,0.0,,,0.0,,,,
CCc1cccc(CC)c1NC(=O)CSc1nnc(C(C)C)n1CC,CID645927,0.0,,,,,,,,,0.0,,,,,,0.0,0.0
CCOc1ccc(NC(=O)C(C)Sc2nnc(C)n2C)cc1,CID3669529,0.0,,0.0,,,,,,,,,,,,,0.0,
CCC(=O)Nc1cccc(NC(=O)CSc2nnc(C(C)C)n2CC)c1,CID651277,,0.0,,,,0.0,,,,,0.0,,,,,,
COC(=O)c1cccc(NC(=O)CSc2nnc(C)n2C)c1,CID864863,,,,,,,,,,,,,,0.0,,,
COc1cccc(NC(=O)CSc2nncn2N)c1,CID653747,,0.0,,0.0,,,,,,0.0,,0.0,,,,,
CCCCOC(=O)c1ccc(NC(=O)CSc2nncn2C)cc1,CID660444,,0.0,,0.0,,,,,0.0,,0.0,,,,,0.0,0.0
CCCn1c(SCC(=O)Nc2cccc(NC(C)=O)c2)nnc1C(C)C,CID648503,,,0.0,0.0,,,,0.0,,,0.0,,,,,,
CCSCc1nnc(SCC(=O)Nc2cccc(SC)c2)n1C,CID2233896,,,,,0.0,,,,0.0,,,,0.0,,,,
CCCc1nnc(SCC(=O)Nc2ccc(OC)cc2)n1N,CID724528,,,,0.0,,,0.0,,,,,,,,,0.0,
CCCn1c(SCC(=O)Nc2ccccc2CC)nnc1C(C)C,CID649987,0.0,0.0,0.0,,,,,0.0,,,,,0.0,,,0.0,
CCOc1cccc(NC(=O)CSc2nncn2N)c1,CID653782,,0.0,,0.0,,,,,,,,0.0,,,,,
COCCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1C(C)C,CID653426,,,,0.0,,0.0,,0.0,0.0,,0.0,,0.0,,,0.0,0.0
COc1ccc(NC(=O)CSc2nnc(C(C)C)n2N)cc1,CID715571,,,,,,,,,,0.0,,,,,,,
CCCn1c(SCC(=O)Nc2c(C)cccc2CC)nnc1C(C)C,CID648314,0.0,,0.0,0.0,,,0.0,0.0,,,,,0.0,,0.0,0.0,
CCOC(=O)c1ccccc1NC(=O)CSc1nnc(C(C)C)n1CC,CID1457154,,,,,,,,,0.0,,0.0,0.0,,,,,
CCCn1c(SCC(=O)Nc2c(CC)cccc2CC)nnc1C(C)C,CID651274,0.0,,,0.0,,,0.0,0.0,,,0.0,,,,,,
CCC(=O)Nc1ccc(NC(=O)CSc2nnc(C(C)C)n2C)cc1,CID648816,,0.0,,0.0,,,,0.0,,,0.0,,,,,,
CCc1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1N,CID658870,0.0,,,,0.0,,,,,0.0,,,,0.0,,0.0,
CCOc1ccc(NC(=O)CSc2nnc(C(C)C)n2CC)cc1,CID857537,,,,,,,,,0.0,,0.0,,,,,,
CCCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1C(C)C,CID651975,0.0,,,,,0.0,0.0,,,,,,,,,0.0,
CCC(C)c1ccc(NC(=O)CSc2nncn2N)cc1,CID3188531,,,,,,,,,,0.0,,,,,,,
COc1ccc(S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC,CID650478,,,,,,,,0.0,,,,0.0,,0.0,,0.0,
COc1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-],CID824906,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1,CID238615,,,,,,,,,0.0,,,,,,,,
CC(=O)Nc1cc(C(=O)O)ccc1S(=O)(=O)c1ccc(C)cc1,CID3243737,,,,,0.0,,,,,,,0.0,,,,,
O=C(O)c1ccc(S(=O)(=O)c2ccccc2)cc1,CID79322,,,0.0,,,,,0.0,0.0,,,,,0.0,,,
CC(C)(C)NS(=O)(=O)c1cccc(S(=O)(=O)c2cccc(S(=O)(=O)NC(C)(C)C)c2)c1,CID3242557,,,,,0.0,,0.0,,,,0.0,,,,,,
CNC(=O)c1ccccc1S(=O)(=O)c1ccccc1C#N,CID1471287,,,,,,,,,,,,0.0,,,,,
CC(=O)Oc1ccc(S(=O)(=O)c2ccc(OC(C)=O)cc2)cc1,CID228533,,,,,,,,,,,,,,0.0,,,
CC(=O)Nc1cc(C(=O)O)ccc1S(=O)(=O)c1ccc(Cl)cc1,CID3244183,,,,,,,0.0,,,,,,0.0,0.0,,,
Nc1cccc(S(=O)(=O)c2cccc(N)c2)c1,CID11741,,,,,0.0,,0.0,,,,0.0,,,,,,
COc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1,CID1380529,,,,,,0.0,,,0.0,,0.0,0.0,,0.0,,,
CC(=O)Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1N,CID5032842,,0.0,,0.0,,,0.0,,,,,,,,,,
CCC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)CC)cc2)cc1,CID1300615,,,,0.0,,,,,0.0,,,,,,0.0,,
COC(=O)c1ccc(S(=O)(=O)c2ccccc2)c(N)c1,CID1489303,,,,,,,,,0.0,,,,,,,,
CCC(CC)C(=O)Nc1cccc(S(=O)(=O)c2cccc(NC(=O)C(CC)CC)c2)c1,CID1262275,,,,,,,,,,0.0,,,,,,,
O=C(O)c1ccccc1S(=O)(=O)c1ccccc1CO,CID660440,,,0.0,,0.0,,,0.0,0.0,,,0.0,0.0,0.0,,0.0,
O=C(O)COc1ccc(S(=O)(=O)c2ccc(OCC(=O)O)cc2)cc1,CID236781,,,,,0.0,,,,,0.0,,,,,,,
CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1,CID265982,,,,,,,,,,,0.0,,,,,,
Nc1ccccc1S(=O)(=O)c1ccccc1N,CID148620,,0.0,0.0,,0.0,,,,,0.0,,,,,,,
Nc1ccc(S(=O)(=O)c2cccc(N)c2)cc1,CID118627,,,,,0.0,,0.0,,,,,,,,,,
CC(C)c1ccc(S(=O)(=O)c2ccc(NN)cc2)cc1,CID2390001,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1,CID69030,,,,,,,,,,0.0,0.0,,,0.0,,,
Cc1cc(C)c(S(=O)(=O)c2ccccc2C(=O)O)c(C)c1,CID754884,,,,,,,,,0.0,,0.0,0.0,,,,,
CN(C)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1,CID786378,,0.0,0.0,,,,,,,0.0,,,,0.0,,,0.0
CCCCNC(=O)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)c(NC(C)=O)c1,CID9551393,,,,,,,,,,,0.0,,,,,,
O=S(=O)(c1ccccc1)c1ccccc1/C=N/O,CID645799,,,,,0.0,,0.0,,0.0,,,,,0.0,,,
CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)c1,CID2227567,,,,,0.0,,,,0.0,,,,,,,,
CC(C)C(=O)Nc1cccc(S(=O)(=O)c2cccc(NC(=O)C(C)C)c2)c1,CID1370321,,,,,,,,,0.0,0.0,,,,,,,
CCOC(=O)COc1ccc(S(=O)(=O)c2ccc(OCC(=O)OCC)cc2)cc1,CID257599,,,,,,,,,,0.0,,0.0,,,,,
Nc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1,CID229818,,,,,,,,,,0.0,,,,,,,
CN(C)S(=O)(=O)Nc1ccc(NS(=O)(=O)N(C)C)c(S(=O)(=O)c2ccccc2)c1,CID658163,,,,,0.0,,0.0,,,,,,,,,,
CC(=O)Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1,CID11257,,0.0,,0.0,0.0,,0.0,0.0,,,0.0,,0.0,,,,0.0
Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1,CID2955,,,,,0.0,,,0.0,,,,,,,,,
CC(=O)Nc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1,CID272502,,,,,,,,,,,,,,0.0,,,
CCOC(=O)/C(C#N)=C/c1cn(CCC(=O)O)nc1-c1ccccc1,CID2389804,,,,,,,,,,,,,,0.0,,,
CCOC(=O)/C(C#N)=C/c1cn(CCC(=O)O)nc1-c1ccc(F)cc1,CID2389808,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1,CID1480766,,,,,,,,,,,,,,,0.0,,
O=Cc1cn(CCC(=O)O)nc1-c1cccc(Cl)c1,CID892947,,,,,,,,,,,,,,0.0,,,
COC(=O)c1cc(-c2ccc(OC)c(OC)c2)n[nH]1,CID3239515,,,,,,0.0,,,,,,,0.0,,,,
CCN(CC)C(=O)c1cn(CCC#N)nc1-c1ccc(F)cc1,CID2471334,,,,,,,,,,,,,,,0.0,,
CCOC(=O)Cn1nc(-c2ccc(Cl)cc2)cc1N,CID650557,,,0.0,,,,,,,0.0,0.0,,,,0.0,0.0,0.0
COc1ccc(-c2cc(N)n(CCC#N)n2)c(OC)c1,CID3244181,,,0.0,,,,,,,,,,,,,0.0,
COc1ccc(-c2nn(CCC(=O)O)cc2CCC(=O)O)cc1,CID2389022,,0.0,0.0,,,,,,,,,,0.0,,0.0,,
N#CCCn1cc(/C=N/O)c(-c2ccccc2)n1,CID2375036,,,,,,,,,,,,0.0,,,,,
COC(=O)c1cc(-c2ccccc2)n[nH]1,CID644585,,,,0.0,,,,,,,,0.0,,,,0.0,
COc1ccc(-c2cc(C(=O)O)[nH]n2)cc1OC,CID649042,,,0.0,,,,,,,,,,,,,,
N#CCCn1cc(/C=N/O)c(-c2ccc(Cl)cc2)n1,CID2319234,,,,,,,,,,,0.0,,,,,,
COC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1,CID946659,,,,,,,,,,,,,,0.0,,,
Cn1nc(-c2ccccc2)c(/C=N/O)c1Cl,CID4529660,,,,,,,,,,,,,,0.0,,,
N#CCCn1cc(/C=N/NC(N)=S)c(-c2ccccc2)n1,CID2319470,,,,,,,,,,,,,,,0.0,,
COC(=O)c1cc(-c2cccc(OC)c2)n[nH]1,CID645705,0.0,,,,,0.0,0.0,,,0.0,,,,,,,
CCCS(=O)(=O)n1nc(-c2ccc(Br)cc2)cc1N,CID5309813,0.0,,,,,,,,,,,,,,,,
Cc1cc(-c2ccccc2N)n[nH]1,CID713168,,,,0.0,,,,,,,,,0.0,,,,
O=C(O)c1cc(-c2ccc(Cl)cc2)n[nH]1,CID738819,,0.0,,0.0,,,,,,0.0,,,,,,,
CCOC(=O)CCn1nc(-c2ccccc2)cc1N,CID3242017,,,,,,,0.0,,,,,0.0,,,,0.0,
N#CCCn1cc(/C=N/O)c(-c2ccc(F)cc2)n1,CID2184172,,,,,,0.0,,,,,0.0,,,,,,
CC(C)(C)c1ccc(-c2nn(CCC#N)cc2/C=N/O)cc1,CID2180056,,,,,,,,,,,,,,0.0,0.0,,
CCCCOc1ccccc1-c1cc(C(=O)O)[nH]n1,CID3160167,,0.0,0.0,,,,,,,,,,,,,,
Cc1ccc(-c2nn(CCC(=O)O)cc2CCC(=O)O)cc1,CID2389010,,,,,,0.0,,,,,,,,,,,
CCOC(=O)CCn1nc(-c2ccc(Cl)cc2)cc1N,CID3240668,0.0,0.0,,0.0,,0.0,,,,,,,,,,0.0,0.0
CCOC(=O)c1cc(-c2ccccc2)nn1CCC#N,CID2389332,,,,,,,,,,,,,,,0.0,,
O=Cc1cn(CCC(=O)O)nc1-c1cccc(Br)c1,CID895564,,,,,,,,,,,,,,,0.0,,
CCOC(=O)/C(C#N)=C/c1cn(CCC(=O)O)nc1-c1cccc(Br)c1,CID2389752,,,,,,,,,,,,,,,0.0,,
COC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1,CID3239557,,,,,,,,,0.0,,,0.0,,,,,
CCCS(=O)(=O)n1nc(-c2ccc(OC)cc2OC)cc1N,CID5307692,,0.0,,,,,,,,,,,0.0,,,0.0,0.0
O=C(O)c1cc(-c2ccccc2Cl)n[nH]1,CID646303,,,,,,,,,,,,,0.0,0.0,,0.0,0.0
COc1ccc(-c2nn(CCC#N)cc2/C=N/O)cc1OC,CID2389053,,,,,,,,,,,,,,0.0,,,
CCCCC(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1,CID2204667,,,,0.0,,,0.0,,,,,0.0,,,,,
Cc1c(Br)cc(C(=O)N2CCN(CCO)CC2)c(C)c1C,CID1326052,,,,,,,,,0.0,,,0.0,,,,0.0,
CN1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1,CID869238,,,,,,,0.0,,,0.0,,,,,,,
CS(=O)(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1,CID1245227,,,,,,,,0.0,0.0,,0.0,,,,,,
CCOC(=O)N1CCN(C(=O)c2cccc(F)c2)CC1,CID1086966,,,,,,,,,,,,,,0.0,,,
CCOC(=O)N1CCN(C(=O)c2ccc(NC(C)=O)cc2)CC1,CID3579761,,,,,,,,,,,,,,0.0,,,
Cc1c(C(=O)N2CCN(C)CC2)cccc1[N+](=O)[O-],CID779810,,,,,,0.0,,,,,,,,,,,
N/C(=N\[N+](=O)[O-])N1CCN(C(=O)c2ccc(Cl)cc2)CC1,CID2848089,,,,,,,,,,,,,,,0.0,,
COc1cc(C(=O)N2CCN(C(=O)CC(C)C)CC2)cc(OC)c1OC,CID1203009,,,,,,,,0.0,,,,,0.0,,,,
CN(C)S(=O)(=O)N1CCN(C(=O)c2ccccc2Cl)CC1,CID849903,0.0,,,,,,,,,,,,0.0,,,,0.0
CCS(=O)(=O)N1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1,CID652813,,0.0,,,,,,,,,,,,,,,
O=CN1CCN(C(=O)c2ccccc2F)CC1,CID772256,,,0.0,,,,,,,,,,,,,,
CCCS(=O)(=O)N1CCN(C(=O)c2ccccc2F)CC1,CID719643,,,,,,,,,,,,0.0,,,,0.0,
O=C(c1ccccc1Cl)N1CCNCC1,CID2060585,,,,,,,,,,0.0,,,,,0.0,,
CCOC(=O)N1CCN(C(=O)c2ccc(NC(=O)CC)cc2)CC1,CID2221371,,,,,,,,,0.0,,,,,,,,
CN1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1,CID812029,,,0.0,0.0,0.0,0.0,,0.0,,,,,0.0,,,,
CS(=O)(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1,CID648451,0.0,,,,,,,,,,,0.0,,,,,
CS(=O)(=O)N1CCN(C(=O)c2ccccc2F)CC1,CID717175,,,,,,,,,,,,0.0,,,0.0,,
CCS(=O)(=O)N1CCN(C(=O)c2cccc(OC)c2)CC1,CID770525,,,,,,,0.0,,,,,,,,,,
CCOC(=O)N1CCN(C(=O)c2ccccc2N(C)S(C)(=O)=O)CC1,CID2212317,,,,,,,,0.0,,,,0.0,,,,,0.0
CCOC(=O)N1CCN(C(=O)c2cccc(OC)c2OC)CC1,CID2950605,,0.0,,0.0,,,,,,,,,,,,,
COc1cc(OC)cc(C(=O)N2CCN(S(C)(=O)=O)CC2)c1,CID717224,,,0.0,,,,,0.0,,,,,,,,0.0,
COc1ccc(C(=O)N2CCN(C(=O)CC(C)C)CC2)cc1OC,CID717244,,,,0.0,,0.0,0.0,,,,,,0.0,,,,
CCCS(=O)(=O)N1CCN(C(=O)c2cccc(OC)c2)CC1,CID719650,,,,,,,,,,0.0,,,0.0,,,0.0,
O=CN1CCN(C(=O)c2ccccc2Cl)CC1,CID893064,,,,,,,,,,0.0,,,,0.0,,,
CC(C)CC(=O)N1CCN(C(=O)c2cccc(F)c2)CC1,CID704283,,,,0.0,,,,0.0,,,,,,,,,
CN1CCN(C(=O)c2ccccc2NC(=O)C(C)(C)C)CC1,CID690928,,,,,,,,,,,0.0,,,,,,
CCOC(=O)N1CCN(C(=O)c2ccc(N(C)S(C)(=O)=O)cc2)CC1,CID1085641,,,,,,,,0.0,,,,,,,,,0.0
CCCS(=O)(=O)N1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1,CID655707,,,,,,,,,,,0.0,,,,,0.0,
CN(C)S(=O)(=O)N1CCN(C(=O)c2cccc(Br)c2)CC1,CID991670,,,,,,,,,0.0,,0.0,,,0.0,0.0,,
COc1cccc(C(=O)N2CCN(S(C)(=O)=O)CC2)c1,CID717183,,,,,,,,,,0.0,,,,,0.0,,
CCOC(=O)N1CCN(C(=O)c2ccc(NS(C)(=O)=O)cc2)CC1,CID1248150,,,,,,,,,,,,,,,0.0,0.0,0.0
CCOC(=O)CSc1ccc(C(=O)N2CCN(C)CC2)cc1[N+](=O)[O-],CID4070884,,,,,,,,,,,,,,,0.0,,
COCCn1c(-c2ccccc2F)n[nH]c1=S,CID2196626,,0.0,,,,,,,,0.0,,,,,,0.0,
Cn1c(-c2ccccc2Br)n[nH]c1=S,CID676204,,,,,,,,,0.0,,,0.0,,,,,
COCCCn1c(-c2ccc(Cl)cc2)n[nH]c1=S,CID2196902,,,,,,0.0,,,,0.0,,,,,0.0,,
C=CCn1c(-c2cc(Cl)ccc2OC)n[nH]c1=S,CID701684,,,,,,,,,,0.0,,,,,0.0,,
CCCn1c(-c2ccc(F)cc2)n[nH]c1=S,CID971379,,0.0,,,,,,,,,,,,,,,
C=CCn1c(-c2ccc(OC)cc2)n[nH]c1=S,CID764321,,,,,,0.0,,,,,,,,,,,
C=CCn1c(-c2cccc(Cl)c2)n[nH]c1=S,CID697679,,0.0,,,0.0,,,,,,,,,,,,0.0
CCn1c(-c2cc(OC)c(OC)c(OC)c2)n[nH]c1=S,CID661205,0.0,0.0,,0.0,0.0,,,,,0.0,,,,,,0.0,0.0
CC(C)n1c(-c2ccccc2F)n[nH]c1=S,CID978073,,,,,,,,,0.0,,,,,,,,
C=CCn1c(-c2cccc(OCC)c2)n[nH]c1=S,CID895451,,,,,,,,,,,,,,,0.0,,
CCCCn1c(-c2cc(Cl)ccc2OC)n[nH]c1=S,CID2210728,0.0,,,0.0,0.0,,,,,,,,,0.0,0.0,,0.0
CCOCCCn1c(-c2ccc(Cl)cc2)n[nH]c1=S,CID2346426,,,,,,,,,,0.0,,,,,0.0,,
C=CCn1c(-c2ccc(OC)c(OC)c2)n[nH]c1=S,CID661928,,0.0,,,,,0.0,0.0,,0.0,0.0,,,,,,0.0
C=CCn1c(-c2cccc(OC)c2)n[nH]c1=S,CID883478,,,,,,,,,,,,,,,0.0,,
COc1ccc(-c2n[nH]c(=S)n2N)c(OC)c1,CID2526749,,,,,,,,,,,,,,,0.0,,
CC(C)Cn1c(-c2ccccc2F)n[nH]c1=S,CID752419,,0.0,,,,,,,,,,,,,,0.0,
CCn1c(-c2cc(Cl)ccc2OC)n[nH]c1=S,CID701674,,,,,,,,,,,0.0,,,,,,
COc1ccc(Cl)cc1-c1n[nH]c(=S)n1C,CID701673,,,,,,,,,,,,,,,0.0,,
CC(C)Cn1c(-c2ccc(F)cc2)n[nH]c1=S,CID3236878,,0.0,,,,,,,,,,,0.0,,,0.0,
CCn1c(-c2ccc(OC)c(OC)c2)n[nH]c1=S,CID707899,,,,0.0,,,,,,0.0,,,0.0,,,,0.0
CC(C)n1c(-c2ccc(C(C)(C)C)cc2)n[nH]c1=S,CID970189,,,,,,0.0,,,,,,,,,,,
C=CCn1c(-c2cc(OC)cc(OC)c2)n[nH]c1=S,CID661249,,0.0,0.0,0.0,,,0.0,,,,,,0.0,,,0.0,0.0
CCn1c(-c2cccc(Br)c2)n[nH]c1=S,CID676284,,,,,,,,,0.0,,,,,,,0.0,0.0
C=CCn1c(-c2ccccc2)n[nH]c1=S,CID658860,,,0.0,0.0,,,,,,,,,,,,,
CCn1c(-c2ccc(F)cc2)n[nH]c1=S,CID676234,,0.0,,,,,0.0,,,,,,,,,0.0,
CCn1c(-c2ccc(C(C)(C)C)cc2)n[nH]c1=S,CID726838,,0.0,,,,,,,,,,,0.0,,,0.0,0.0
CCn1c(-c2ccc([N+](=O)[O-])cc2)n[nH]c1=S,CID726836,,,,,,,,,,,,0.0,,,,,
C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)n[nH]c1=S,CID802092,0.0,0.0,,,0.0,,,,,0.0,0.0,,,,,0.0,0.0
Cn1c(-c2ccc(C(C)(C)C)cc2)n[nH]c1=S,CID702150,,0.0,,,,,,,,,,,,,0.0,0.0,0.0
Cc1ccc(-c2n[nH]c(=S)n2C)cc1,CID702153,,0.0,0.0,,,,,,,,0.0,,0.0,,,,
COCCCn1c(-c2ccccc2Cl)n[nH]c1=S,CID2196450,0.0,,,0.0,0.0,,,,,0.0,,,,,,,0.0
CCCCn1c(-c2ccc([N+](=O)[O-])cc2)n[nH]c1=S,CID2205509,,,,,,,,,,,,0.0,,,,,
Nn1c(-c2cccc(Br)c2)n[nH]c1=S,CID659951,0.0,,,,,,,,0.0,,,,,,,0.0,
COc1ccccc1NC(=O)CSc1nnc(-c2ccc(C)cc2)o1,CID656273,0.0,0.0,0.0,,0.0,,,0.0,,,0.0,,,,,,0.0
COC(=O)CN(C(=O)CSc1nnc(-c2cccc(OC)c2)o1)c1ccc(OC)cc1,CID647704,,,,,0.0,0.0,,0.0,,0.0,,,0.0,,,0.0,0.0
COc1ccccc1-c1nnc(SCC(=O)Nc2c(Cl)cccc2Cl)o1,CID2497349,0.0,,0.0,,,,,,,,,,0.0,,,,
COc1cccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)o2)c1,CID1071228,0.0,,0.0,,0.0,,0.0,,,,,,,0.0,,0.0,0.0
Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3Br)o2)cc1C,CID652328,,,,,,,0.0,,0.0,,0.0,,,,,0.0,0.0
COC(=O)c1ccc(C(=O)OC)c(NC(=O)CSc2nnc(-c3ccccc3Cl)o2)c1,CID2219307,,,0.0,,0.0,,,,0.0,,,,,,,,0.0
COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccc(C)cc2)o1,CID1309665,0.0,0.0,0.0,,0.0,0.0,,0.0,,,0.0,,0.0,,,0.0,
Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3C)o2)cc1C,CID651740,0.0,,0.0,,0.0,,0.0,0.0,,,,,,0.0,,,0.0
CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)Nc3ccc(OC)c(OC)c3)o2)cc1,CID3184983,,,,,,,,,,0.0,,,,,,,
CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)Nc3cc(OC)cc(OC)c3)o2)cc1,CID3184984,,,,,,,,,,,0.0,,,,,,
CCOc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2)o1,CID2235406,,0.0,,,0.0,,0.0,,,,,,,,,,0.0
COc1ccc(-c2nnc(SCC(=O)Nc3cc(F)ccc3C)o2)cc1,CID2188688,0.0,,,,0.0,,,,,0.0,0.0,,,,,0.0,0.0
COc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)o1,CID779642,0.0,0.0,0.0,0.0,0.0,0.0,,,0.0,,0.0,,0.0,,,0.0,
Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3)o2)c1,CID713384,0.0,,,,0.0,,0.0,,,,0.0,,0.0,,,0.0,
COc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2)o1,CID1289607,0.0,0.0,,,0.0,,0.0,,,,0.0,,,0.0,,0.0,
COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccc(Br)cc2)o1,CID2193127,,,,,,,0.0,,0.0,,0.0,,,,,0.0,0.0
Cc1ccccc1-c1nnc(SCC(=O)Nc2cccc(C)c2C)o1,CID656184,0.0,,,,0.0,,,,,,0.0,,0.0,0.0,,0.0,
COc1ccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3)o2)cc1,CID648851,0.0,,,0.0,0.0,0.0,,,,,,,0.0,,0.0,,
CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)o2)cc1,CID1128404,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3F)o2)cc1,CID835162,0.0,0.0,0.0,,0.0,,0.0,,,0.0,,,,,,0.0,0.0
CCOC(=O)CN(C(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)o1)c1ccc(F)cc1,CID652722,,,,,,0.0,0.0,,,,0.0,0.0,0.0,,,,
CCN(CC)S(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)cc1,CID653085,,,,,0.0,,0.0,,,,0.0,,,,,0.0,0.0
Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3C)o2)c1,CID655365,0.0,,,,0.0,0.0,0.0,,,,0.0,,,0.0,,0.0,0.0
COc1ccc(-c2nnc(SC(C)C(=O)Nc3cccc(Cl)c3)o2)cc1,CID656378,0.0,,,0.0,0.0,,,,,0.0,,0.0,0.0,,,,0.0
CCOC(=O)CN(C(=O)CSc1nnc(-c2cccc(OC)c2)o1)c1ccc(F)cc1,CID644711,,,,0.0,,,,,,,0.0,,0.0,,,,
Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3Br)o2)c1C,CID650192,0.0,,,,,,0.0,,0.0,,0.0,,,,,0.0,0.0
O=C(CSc1nnc(-c2ccccc2)o1)Nc1ccccc1F,CID891159,,,,,0.0,,0.0,,,0.0,,,0.0,,,0.0,0.0
Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3Br)o2)c1,CID651158,0.0,,,,,,,,0.0,,0.0,,,,,0.0,0.0
Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3C)o2)c1,CID645555,0.0,0.0,0.0,,0.0,,,,,0.0,,,0.0,,,0.0,
Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3C)o2)c1,CID647583,0.0,,0.0,,0.0,,,,,,0.0,,,,,,
COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2Cl)o1,CID2525684,,,0.0,,,,0.0,,,,,,,,,,
CCOC(=O)CN(C(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)o1)c1ccccc1,CID653792,,,,,0.0,,0.0,0.0,0.0,0.0,0.0,,,,,,0.0
COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3OC)o2)cc1,CID2188733,0.0,0.0,0.0,,0.0,,0.0,0.0,,,0.0,,0.0,,,0.0,0.0
Cc1ccc2c(c1)NC(=O)C(CC(=O)O)O2,CID5307534,,,,,,,0.0,0.0,,,0.0,0.0,,,,,
CCOC(=O)CN1C(=O)COc2ccc(C(C)(C)C)cc21,CID3238362,,,,,,0.0,,,,,,,,,,0.0,0.0
CCC(C)NC(=O)CC1Oc2ccc(C)cc2NC1=O,CID5308529,,,0.0,,,,,,,,,,,,,,
Cc1ccc2c(c1)N(CCC(=O)NC(C)C)C(=O)CO2,CID9551116,,,,,,,,,,,,,,,0.0,,
CCCCN(C)CCCNC(=O)CC1Oc2ccccc2NC1=O,CID5308106,0.0,,,,,,,,,,,,,,,,
CCOCCCNC(=O)CC1Oc2ccc(C)cc2NC1=O,CID5307731,,,,,,,,,,,,,,,,,0.0
CCN(CC)CCCNC(=O)CC1Oc2ccc(C)cc2NC1=O,CID5307323,,,,,,,,,,,,,,,,0.0,
COC(=O)CN1C(=O)COc2ccc(Cl)cc21,CID3163338,,0.0,,,,,,,,0.0,,,,,,,0.0
CCOC(=O)CN1C(=O)C(CC)Oc2ccc(Cl)cc21,CID3241525,,,,,,0.0,,,,,,,,,,,
CCC(C)(C)NC(=O)c1ccc2c(c1)N(CC(=O)OC)C(=O)C(C)(C)O2,CID645448,,,0.0,,,,,0.0,0.0,0.0,,,0.0,,,,
CCCCN(CCCC)CCCNC(=O)CC1Oc2ccc(C)cc2NC1=O,CID3241820,,,,,,,,,0.0,,,,0.0,,,,
CCCCN(CC)CCCNC(=O)CC1Oc2ccccc2NC1=O,CID3244629,,,,,,,,0.0,,,,,,,,,
CC(C)OC(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)NC(C)(C)C)cc21,CID650505,,,0.0,,,,,,,,,,,,,,0.0
COCCCNC(=O)CCN1C(=O)COc2ccccc21,CID3237715,,,,,,0.0,,,,,,0.0,0.0,,,0.0,
CCOC(=O)CN1C(=O)C(CC)Oc2ccccc21,CID3235966,,,,,,0.0,,,,,,,0.0,,,0.0,
CN(C)CCNC(=O)CN1C(=O)COc2ccc(C(C)(C)C)cc21,CID3622793,,,,,,0.0,,,,,,,,,,,
Cc1ccc2c(c1)N(CCC(=O)NCCCOC(C)C)C(=O)C(C)O2,CID3237158,,,,,,,0.0,,,,,,,0.0,,,
CCCCNC(=O)CN1C(=O)C(CC)Oc2ccc(Cl)cc21,CID3240422,0.0,,,0.0,,,,,,0.0,,,,,,0.0,0.0
Cc1ccc2c(c1)NC(=O)C(CC(=O)NCCN(CC(C)C)CC(C)C)O2,CID5309445,,,0.0,,,,,,,0.0,0.0,,,,,,
CCC1Oc2ccc(Cl)cc2N(CC(=O)O)C1=O,CID3244604,,,,,,,,,,,,,,,,,0.0
COCCNC(=O)C1(C)Oc2ccccc2NC1=O,CID3660113,,,,,,,,,,0.0,,,,0.0,,,
CCOCCCNC(=O)CN1C(=O)C(CC)Oc2ccccc21,CID3243639,,,,,,,,0.0,,,,,,,,,0.0
CC(C)CN(CCNC(=O)CC1Oc2ccccc2NC1=O)CC(C)C,CID5308501,,,,,,,,,,,,,0.0,,,,
CC(C)(C)c1ccc2c(c1)N(CC(=O)O)C(=O)CO2,CID3160168,,,0.0,,,0.0,,,,,,,0.0,,,0.0,
COCCCNC(=O)CCN1C(=O)COc2ccc(C)cc21,CID3240262,,,,,,,0.0,0.0,,,,,,,,,
CCCSCCCNC(=O)CC1Oc2ccccc2NC1=O,CID5307590,,,0.0,0.0,,0.0,0.0,,,,,0.0,,,,,
COC(=O)CC1Oc2ccc(C)cc2NC1=O,CID4430867,,0.0,0.0,,,0.0,,0.0,,,,,,,,0.0,
CC(C)OCCCNC(=O)CCN1C(=O)COc2ccccc21,CID3243856,,,,,,,,0.0,,,,,,,,0.0,
CCOC(=O)CN1C(=O)COc2ccc(Cl)cc21,CID3240998,,0.0,,,,,,,,0.0,,,0.0,,,,0.0
CCC(C)NC(=O)CC1Oc2ccc(Cl)cc2NC1=O,CID5307183,0.0,,,0.0,,,,,,,,,,,,0.0,
Cc1ccc2c(c1)NC(=O)C(CC(=O)NCCN(C)C)O2,CID5309549,,,,,,0.0,,0.0,,,,,,,,,
Cc1ccc2c(c1)N(CC(=O)O)C(=O)CO2,CID3239077,,,,,,,,0.0,,,,,0.0,,,0.0,
CCOC(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)NC(C)(C)CC)cc21,CID650487,,0.0,,,,,,0.0,,,,,,,,,
CS(=O)(=O)Nc1ccccc1C(=O)N1CCCC1,CID647883,,0.0,,,,,0.0,,,0.0,,,,,,,
CS(=O)(=O)Nc1ccc(C(=O)N2CCCC2)cc1,CID961986,,,,,,,,,,0.0,,,,,,,
CC(C)Oc1ccc(C(=O)N2CCCC2C(=O)O)cc1,CID652399,,,0.0,,,,,0.0,0.0,,,,0.0,0.0,0.0,,
C=CCN(c1ccc(C(=O)N2CCCC2)cc1)S(C)(=O)=O,CID1289633,,0.0,,,,,,,0.0,,,0.0,0.0,0.0,,,
COCCSc1ccccc1C(=O)N1CCCC1,CID2218447,,,,,,,0.0,,,0.0,,,,,,,0.0
CCCCCCC(=O)Nc1ccc(C(=O)N2CCCC2)cc1,CID2225450,,,,,,,,,,,,0.0,,,,,
CCCCOC(=O)Nc1ccccc1C(=O)N1CCCC1,CID2299142,,,,,0.0,,,,,,,,,,,,
COc1cc(OC)c(C(=O)N2CCCC2)cc1OC,CID715082,,,,,,,,,,,,,,0.0,,,
CCC(=O)Nc1ccccc1C(=O)N1CCCC1,CID899413,,,,,,,,,,0.0,,0.0,,,,,
COC(=O)c1cc(C(=O)N2CCCC2)cc([N+](=O)[O-])c1,CID690586,,,,,,0.0,,,,,,,,,,,
CC(=O)Nc1ccc(C(=O)N2CCCC2)cc1,CID3120528,,,,,,,,,,,0.0,0.0,,,,,
CCOc1ccc(C(=O)N2CCCC2C(=O)O)cc1,CID590998,,,,,,,,,0.0,0.0,,,0.0,0.0,,,
CCOc1ccc(C(=O)N2CCCC2)cc1,CID721195,,,,,,,,,0.0,,,,,,,,
CCOc1cc(C(=O)N2CCCC2)cc(OCC)c1OCC,CID868943,,,,0.0,,,0.0,0.0,,,0.0,,,,,,
O=C(c1ccc(Br)cc1)N1CCCC1,CID819718,,,,,,,,,,,,0.0,,,,,
CN(c1ccccc1C(=O)N1CCCC1)S(C)(=O)=O,CID951632,,,,,,,,0.0,0.0,,0.0,,,,,,
O=C(O)CCCC(=O)Nc1ccccc1C(=O)N1CCCC1,CID747970,,,0.0,,,,,,,,,,,,,,
CCCOc1ccc(C(=O)N2CCCC2C(=O)O)cc1,CID648078,,,,,,0.0,,0.0,0.0,,,,,,,,0.0
O=C(c1cccc(C(F)(F)F)c1)N1CCCC1,CID1247284,,,,0.0,,,,,,,,,,,,,0.0
Cc1c(Br)cc(C(=O)N2CCCC2)c(C)c1C,CID737470,,,,,,,0.0,,0.0,,,0.0,,,,,0.0
CCOc1ccc(C(=O)N2CCCC2)cc1OC,CID1243559,,,0.0,,,,,0.0,0.0,,0.0,,0.0,,,0.0,
Nc1ccc(C(=O)N2CCCC2)cc1,CID577800,,,,,,,,,,,,0.0,,,,,
CCCCOc1ccc(C(=O)N2CCCC2C(=O)O)cc1,CID659211,,,,,,,0.0,,,,,,,,,,
CCCOc1ccc(C(=O)N2CCCC2)cc1OC,CID592173,,,,,,,0.0,,0.0,,0.0,,,0.0,0.0,0.0,0.0
CC(C)(C)C(=O)Nc1ccccc1C(=O)N1CCCC1,CID769783,,,,,,,,,,0.0,,,,0.0,,,
CC(C)COc1ccc(C(=O)N2CCCC2C(=O)O)cc1,CID3143065,,,,,,,,,0.0,,,,,,,,
COc1ccc(C(=O)N2CCCC2)cc1,CID795550,,0.0,,0.0,,,,,0.0,,0.0,,,,,,
CCCCOc1ccc(C(=O)N2CCCC2)cc1,CID2233623,,,,,,,,,0.0,0.0,,,,,,,
CCC(CC)C(=O)Nc1cccc(C(=O)N2CCCC2)c1,CID974086,0.0,,,,0.0,,,0.0,,,,0.0,0.0,0.0,,,
O=C(O)c1cc(Cl)c(Cl)cc1C(=O)N1CCCC1,CID1121529,,,,0.0,,,,,,,,,0.0,,,,
CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CC(O)CC2C(=O)O)c1,CID2944887,,,,,0.0,,,0.0,,,0.0,,,,,,
CCCC(=O)Nc1ccc(C(=O)N2CCCC2)cc1,CID977697,,,,,0.0,,0.0,,,,,,,,,0.0,
Cc1ccc(C(=O)N2CCCC2)cc1Br,CID833231,,,,,,,,,0.0,,0.0,0.0,,,,,
CCN1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)SC1=S,CID1925587,,,,,,0.0,,,,,,,,,,,
CCCCN1C(=O)/C(=C/c2ccc(OC)cc2OC)SC1=S,CID2145752,,,,,,0.0,,,,,,,,,,,
COc1ccc(/C=C2\SC(=S)N(CC(=O)NCCO)C2=O)cc1,CID1640864,,,,,,,,,,,,,,0.0,,,
CC(C)CN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S,CID2145781,,,,,,0.0,,,,,,,,,,,
CC(C)CN1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)SC1=S,CID2145803,,,,,,0.0,,,,,,,,,,,
C=CCOc1ccc(/C=C2\SC(=S)N(C)C2=O)cc1OC,CID2262519,,,,,,0.0,,,,,,,,,,,
CC(=O)NN1C(=O)/C(=C\c2ccccc2)SC1=S,CID1551983,,,,,,0.0,,,,,,,,0.0,,,
CCN1C(=O)/C(=C\c2cc(OC)ccc2OC)SC1=S,CID2164402,,,,,,0.0,,,,,,,,,,,
C=CCOc1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1OC,CID2262177,,,,,,0.0,,,,,,,,,,,
CC(=O)NN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S,CID1358597,,,,,,,,,,,,,,,0.0,,
CCOC(=O)CCN1C(=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)SC1=S,CID1906613,,,,,,0.0,,,,,,,,,,,
CCOc1c(O)ccc(/C=C2\SC(=S)NC2=O)c1[N+](=O)[O-],CID1742917,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(/C=C2\SC(=S)NC2=O)cc1OC,CID1205767,,,,,,,,,,,,,,0.0,,,
CN1C(=O)/C(=C/c2ccccc2F)SC1=S,CID2203999,,,,,,0.0,,,,,,,,,,,
CC(C)CN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S,CID2145771,,,,,,0.0,,,,,,,,,,,
COC(=O)CN1C(=O)/C(=C/c2cc(OC)ccc2OC)SC1=S,CID1367200,,,,,,0.0,,,,,,,,,,,
CC(C(=O)O)N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S,CID5344144,,,,,,0.0,,,,,,,,,,,
CCOc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)ccc1O,CID2145821,,,,,,0.0,,,,,,,,,,,
COc1cc(/C=C2\SC(=S)N(C(CCC(=O)O)C(=O)O)C2=O)ccc1O,CID5348432,,,,,,0.0,,,,,,,,,,,
C=CCN1C(=O)/C(=C/c2ccc(OC(C)=O)c(OCC)c2[N+](=O)[O-])SC1=S,CID2191297,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(/C(C)=C2/SC(=S)N(CCC(=O)O)C2=O)cc1,CID1325285,,,,,,0.0,,,0.0,0.0,,,,,0.0,,
COc1ccc(/C(C)=C2\SC(=S)N(CCC(=O)O)C2=O)cc1,CID1325284,,,,,,,,,0.0,,,0.0,,0.0,,,
CC(C)(C)NC(=O)CN1C(=O)/C(=C/c2ccccc2)SC1=S,CID2253404,,,,,,0.0,,,,,,,,,0.0,,
C/C(=C1/SC(=S)N(CCC(=O)O)C1=O)c1ccc(O)cc1,CID1332047,,,0.0,,0.0,,,,0.0,,,0.0,,0.0,0.0,,
CCOc1ccc(/C=C2/SC(=S)NC2=O)cc1Cl,CID1356943,,,,,,0.0,,,,,,,,,,,
COc1cccc(/C=C2\SC(=S)N(C)C2=O)c1O,CID2203854,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)c(OCC)c1,CID1350448,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(/C=C2\SC(=S)N(CC(=O)N(CCO)C(C)(C)C)C2=O)cc1,CID1370967,,,,,,,,,,,,,,,0.0,,
Cc1ccc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc1,CID1345716,,,,,,0.0,,,,,,,,,,,
CC(C)CN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S,CID2145775,,,,,,0.0,,,,,,,,,,,
COc1cccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)c1O,CID1205511,,,,,,0.0,,,,,,,,,,,
CCN1C(=O)/C(=C\c2cccc(C)c2)SC1=S,CID2271419,,,,,,0.0,,,,,,,,,,,
CC(C)(C)NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1,CID2435778,,,0.0,,,,0.0,,,,0.0,,0.0,,,,
O=C(O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl,CID2842919,,,,0.0,,,,,,,,,,0.0,,,0.0
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)OCC(=O)NC(N)=O,CID2115623,,,0.0,,0.0,,0.0,,,,,,,,,,
CCOc1cc(S(=O)(=O)N2CCCCCC2)ccc1F,CID935230,,,,,,,,,,,0.0,,,,,,
COC(=O)COc1ccc(S(=O)(=O)N2CCCCCC2)cc1,CID893834,,,,,,,,,,,,,,0.0,,,
CCNC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1,CID2436477,,,,0.0,,,,,,0.0,,,0.0,,0.0,,
O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CCCCCC1,CID649018,,,,,,,,,,,,,,0.0,,,
CCNC(=O)NC(=O)C(C)OC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1OC,CID5115702,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(S(=O)(=O)N2CCCCCC2)cc1,CID247216,,,,,,,,,0.0,,,,,,,,
COc1ccc(OC)c(S(=O)(=O)N2CCCCCC2)c1,CID654671,,,0.0,,,,,,0.0,,,,,0.0,,,
COc1cc(S(=O)(=O)N2CCCCCC2)c(OC)cc1Br,CID566593,,,,,,,,,0.0,,,,,,0.0,0.0,
Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-],CID2897084,,,,,,,,,,,,,,0.0,,,
NC(=O)COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1,CID2372419,,,,,,,,,,,,,,0.0,,,
Cc1cc(Cl)c(S(=O)(=O)N2CCCCCC2)cc1OCC(N)=O,CID1288538,,,,0.0,,,0.0,,,0.0,,,0.0,,,,0.0
O=C(O)/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1,CID1539705,,,,,,,,,,,,,,,0.0,,
COc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl,CID566595,,,0.0,,,,,,,,0.0,,,,,,0.0
CC(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1,CID2919745,,,,,,,,,,,,0.0,,,,,
COC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1,CID648590,,,0.0,,,0.0,,0.0,0.0,,,0.0,,0.0,0.0,,
O=C(O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1,CID2318451,,0.0,,0.0,,,,,,0.0,,,0.0,,,,0.0
COC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1,CID1245109,,,,0.0,,,,,,,,,,,,,0.0
COc1cc(C)ccc1S(=O)(=O)N1CCCCCC1,CID567073,,,,,,,,,,,,,,0.0,0.0,,
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCCCCC2)c1,CID2793606,,,,,,,,,,,,,,0.0,,,
COC(=O)CCC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1,CID650944,,,,,,,0.0,0.0,,,,,,,,0.0,0.0
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1,CID247212,,,,,,,,,0.0,0.0,,,,0.0,,,
CC(C)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCCCC1,CID2868441,,,,,,,,,,,,,,0.0,0.0,,
Cc1cc(S(=O)(=O)N2CCCCCC2)c(Cl)cc1Cl,CID775470,,,,,,,,,,0.0,,,,,,,
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1Br,CID800461,,,,,,,,,,,,,,0.0,,,
CCOC(=O)/C=C/C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1,CID2139730,,,,,,,,,,,,,,,0.0,,
O=C(O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1,CID863546,,,,,,,,,0.0,,,0.0,,,,,
CCCCOc1ccc(S(=O)(=O)N2CCCCCC2)cc1,CID2059472,,,,,,,,,0.0,,,,,0.0,0.0,,0.0
NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1,CID2347315,,,0.0,,,,,,0.0,,,,,0.0,,,
CCCNC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1,CID2436481,,,,,,,0.0,,,0.0,,,0.0,,0.0,,
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccn[nH]1,CID754442,,,,,,,,,,,,,,0.0,0.0,,
O=C(Nc1ccccc1Cl)c1ccn[nH]1,CID668390,,,,,,,,,,0.0,,,,,,,
Cc1cccc(NC(=O)c2c([N+](=O)[O-])c(C(C)(C)C)nn2C)c1,CID944470,,,,,,,,,,,,,,,0.0,,
COC(=O)c1cc(NC(=O)c2c(Cl)cnn2C)cc(C(=O)OC)c1,CID1221142,,,,,,,,,,,,,,,0.0,,
COc1cc(NC(=O)c2c(Cl)cnn2C)c(OC)cc1Cl,CID2164180,,,,,,,,,,,,,,,0.0,,
Cn1ncc(Br)c1C(=O)Nc1ccc(F)cc1F,CID2902549,,,,,,,,,0.0,,,,,,,,
Cn1nc(C(C)(C)C)c([N+](=O)[O-])c1C(=O)Nc1ccccc1,CID917452,,,,,,,,,,,,,,0.0,0.0,,
Cn1nccc1C(=O)Nc1ccccc1C(=O)O,CID572920,,,0.0,,,,,0.0,,,,,,,,,
CCn1ncc(Br)c1C(=O)Nc1cccc(F)c1,CID5295507,,,,,,,,,,,,,,,0.0,,
CCn1nccc1C(=O)Nc1ccc(Cl)cc1Cl,CID892997,,,0.0,,,,,,,,,,,,,0.0,
CSc1cccc(NC(=O)c2c(Cl)cnn2C)c1,CID2216785,,,,,0.0,,,,,,,,,,,,
CCn1ncc(Br)c1C(=O)Nc1ccc(F)cc1F,CID892592,,,,,,,0.0,,0.0,,,,,,,0.0,0.0
CCOc1ccccc1NC(=O)c1c(Br)cnn1C,CID903277,,,,,,,,,,,,,,,0.0,,
CCn1ncc(Br)c1C(=O)Nc1cc(C)ccc1F,CID3239332,0.0,,,,,,,,0.0,,,0.0,,,,0.0,
CCn1ncc(Cl)c1C(=O)Nc1cc([N+](=O)[O-])ccc1OC,CID831843,,,,,,,,,,,,,,,0.0,,
Cn1ncc(N)c1C(=O)Nc1cccc(C(F)(F)F)c1,CID655172,0.0,,,0.0,,,0.0,,0.0,,,,,,,,0.0
CCn1nccc1C(=O)Nc1cc(Cl)ccc1Cl,CID3235652,0.0,,,,,,,,0.0,,,,,,,,
COc1ccc(NC(=O)c2c(Cl)cnn2C)c(C)c1,CID1223840,,,,,,,,,,,,,,,0.0,,
CC(=O)c1ccc(NC(=O)c2ccn[nH]2)cc1,CID3241848,,,,0.0,,,,,0.0,,,0.0,0.0,0.0,,,
CCNS(=O)(=O)c1ccc(NC(=O)c2cc(C(F)(F)F)nn2C)cc1,CID3243581,0.0,,,,0.0,,,,,,,,,,,,0.0
CSc1ccccc1NC(=O)c1c(Br)cnn1C,CID660362,0.0,,,,,,,,0.0,,0.0,,,,,0.0,0.0
CCn1ncc(Br)c1C(=O)Nc1ccccc1C(=O)OC,CID2167889,,,,,,,,,0.0,,,,,,,,
COC(=O)c1ccccc1NC(=O)c1c(Br)cnn1C,CID5048348,,,,,,,,,,,,1.0,,,,,
O=C(Nc1ccccc1)c1ccn[nH]1,CID680935,,,,,,,,,,,,0.0,,,0.0,,
Cn1ncc(Cl)c1C(=O)Nc1cc(C(F)(F)F)ccc1F,CID844747,,,,,,,,,0.0,,,,,,,,
CCn1ncc(Br)c1C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC,CID3243666,0.0,,,,,,,,,,,,,,,0.0,0.0
CCOc1cc(C#N)c(NC(=O)c2ccnn2C)cc1OCC,CID1263272,,0.0,,0.0,,,,,,,,,,0.0,0.0,,
CCn1ncc(Cl)c1C(=O)Nc1cc(Cl)ccc1Cl,CID891805,,,,,,,,,0.0,,,,,,,,
O=C(Nc1cccc(Br)c1)c1ccn[nH]1,CID668389,0.0,,,,,,,,0.0,,,,,,,,0.0
O=C(Nc1ccccc1)c1[nH]ncc1[N+](=O)[O-],CID686224,,,,,,,,,,,,,,0.0,0.0,,
CCn1ncc(Br)c1C(=O)Nc1ccc(C(=O)OC(C)C)cc1,CID1316580,,,,,,,,,0.0,,,0.0,,,,,
CCN(C(=O)c1ccnn1C)c1ccccc1,CID1220714,,,,,,,,,,,,,,,0.0,,
COC(=O)c1c(NS(C)(=O)=O)sc2c1CCCC2,CID976041,,,,,0.0,,0.0,,,0.0,,,,,,,
NC(=O)c1c(N)sc2c1CCCC2,CID290223,,,,,,,0.0,,,,,,,,,,
CCCCNC(=S)NNC(=O)c1csc2c1CCC(C)C2,CID3570389,,,,,,0.0,,,,,,,,,,,
COCC(=O)Nc1sc2c(c1C(=O)OC)CCC(C)C2,CID649845,,,0.0,,,,,0.0,0.0,,,,,,,,
COCCNC(=O)c1csc2c1CCCC2,CID3238421,,,,0.0,0.0,,,,,,,,,,,0.0,
CCOC(=O)c1c(NS(C)(=O)=O)sc2c1CCC(C)C2,CID3127949,,,0.0,,0.0,0.0,,,,0.0,,,0.0,,,,
CCOC(=O)c1c(N)sc2c1CCC(C)C2,CID2788860,,,,,0.0,0.0,,0.0,,,0.0,,,,,,
CCOC(=O)Nc1sc2c(c1C#N)CCC(C)C2,CID2999207,,,,0.0,0.0,,0.0,,,,,,,,,,
CCCC1CCc2c(sc(N)c2C(N)=O)C1,CID2887357,,,,,,,,,,0.0,,,,,,,
CCOCC(=O)Nc1sc2c(c1C(=O)OCC)CCCC2,CID1825628,,0.0,,,,,0.0,,0.0,,,,,,,,
CCOC(=O)c1c(N)sc2c1CCCC2,CID78262,,,,0.0,,,,,,,,,,,,,
N#Cc1c(NC(=O)CSCC(=O)O)sc2c1CCCC2,CID646890,,,,,0.0,0.0,0.0,,,0.0,,,0.0,,,,
CCNC(=O)c1c(NC(C)=O)sc2c1CCCC2,CID1120919,,,,,,0.0,,,,,,,,,,,
COCC(=O)Nc1sc2c(c1C(=O)OC)CCCC2,CID733286,,,,0.0,,,,0.0,0.0,,,,,,,,
CC1CCc2c(sc(N)c2C(=O)OC(C)C)C1,CID2850256,,,,,,,,,,0.0,,,,,,,
CC(C)(C)C1CCc2c(sc(N)c2C(N)=O)C1,CID616673,,,,0.0,,,0.0,,,,,,0.0,,,,0.0
CC(C)OC(=O)c1c(N)sc2c1CCCC2,CID871834,,,,,,,0.0,0.0,,,,,,,,,
COC(=O)c1c(NC(C)=O)sc2c1CCCC2,CID646914,,,,,0.0,,,,,,,,,,,,
CCOC(=O)NC(Nc1sc2c(c1C(N)=O)CCCC2)(C(=O)OCC)C(F)(F)F,CID658359,0.0,,,,,,0.0,,,,,,,,,,0.0
O=C(O)c1cc2c(s1)CCCC2,CID2063443,,,,0.0,,,,,,0.0,,,,0.0,,,
COC(=O)CCC(=O)Nc1sc2c(c1C#N)CCCC2,CID647543,,,0.0,0.0,,,0.0,,,,,,,,,,
CCC1CCc2sc(C(=O)O)cc2C1,CID2998934,,,,,,,,,,0.0,,,,0.0,,,
CC(=O)Nc1sc2c(c1C#N)CCC(C)C2,CID3114323,,,,,,,,,,,,,,,0.0,,
N#CCC(=O)Nc1sc2c(c1C(N)=O)CCCC2,CID2143385,,,,,,,0.0,,,,,,0.0,,,,
CC(C)C(=O)NC(=S)Nc1sc2c(c1C(N)=O)CCCC2,CID1789960,,,,,,,,,,,,,,0.0,0.0,,
CCOC(=O)c1c(NC(=O)COC)sc2c1CCCC2,CID885804,,,,,,,0.0,,,,,,,,,0.0,
N#Cc1c(NC(=O)CCC(=O)O)sc2c1CCCC2,CID601254,,,0.0,0.0,,,,,,,,,,,,,
COCCNC(=O)c1c(N)sc2c1CCCC2,CID1622478,,,,,,,0.0,0.0,,,,,,,,,
CC1CCc2c(sc(N)c2C(N)=O)C1,CID2852749,,,,,,,,,,0.0,,,0.0,,,,
COC(=O)NC(Nc1sc2c(c1C(N)=O)CCCC2)(C(=O)OC)C(F)(F)F,CID658937,0.0,,,,,,,,,0.0,,,,,,,0.0
CC(NC(=O)c1cc2c(s1)CCCC2)C(C)(C)C,CID2971294,,,,,,,,,,0.0,0.0,,,,,,
CCCC(=O)Nc1sc2c(c1C#N)CCCC2,CID657966,,0.0,,0.0,0.0,,,,,,,,,0.0,,,0.0
COC(=O)c1cc(Br)c(=O)n(CCN(C(C)C)C(C)C)c1,CID661052,0.0,,,,,,,,,,0.0,0.0,,,,0.0,
CCCCC(=O)c1c(C)cc(C)[nH]c1=O,CID659086,,,,,,,,0.0,,,,,,,,,0.0
CC(C)(C)c1cc(C(F)(F)F)c(C#N)c(=O)[nH]1,CID1480186,,,,,,,,,0.0,,,0.0,,,,,
COc1ccc[nH]c1=O,CID88731,,,,,,,,0.0,,,,,,,,,
Cc1cc(=O)n(CCCO)c(O)c1C#N,CID3146302,,,0.0,,,,,,,,,,,,,,
COC(=O)c1cc(C(C)=O)c(C)[nH]c1=O,CID2289888,,,,,,,,,,,,,,,0.0,,
Cc1[nH]c(=O)c(C#N)c(C)c1Br,CID737752,,,,,,,0.0,,,,,,,,,0.0,0.0
Cc1cc(=O)n(CC(C)C)c(O)c1C#N,CID1504761,,,,,,,,,,,,,,,,0.0,
CC(C)(C)NC(=O)NC(=O)Cn1cc(C(F)(F)F)ccc1=O,CID2122848,,,,0.0,,,,,,,,,,,,,0.0
CC(C)CCNC(=O)NC(=O)Cn1cc(C(F)(F)F)ccc1=O,CID2079895,,,,,,,,,0.0,,,,,,,,
CCCc1cc(C(F)(F)F)c(C#N)c(=O)[nH]1,CID1478207,,,,,,,,,0.0,,,,,,,,
CCCCOC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C,CID3235648,,,,,,,,0.0,,0.0,,,,,,,
CN(C)c1cc[nH]c(=O)c1C#N,CID1488700,,,,,,,,,,,,0.0,,,,,
Cc1cc(N(C)C)c(C#N)c(=O)[nH]1,CID660920,,,,,,,,,,,,0.0,,,,,
Cc1cc(C(F)(F)F)c(C#N)c(=O)[nH]1,CID247440,,,,,,,,,0.0,,,,,,,,
COC(=O)c1cc(Br)c(=O)n(CC(C)C)c1,CID660987,0.0,,,,,,,,,,,,,,,,
CCOC(=O)c1cc(C(C)=O)c(=O)n(C)c1N,CID2997731,,0.0,,,,,,,,,,0.0,,,,,
Cc1cc(=O)n(CC(C)O)c(O)c1C#N,CID650531,,0.0,,,,,,,,,,,,,,0.0,
Cc1ccc(=O)n(CC(=O)O)c1,CID1096408,,,,,,,,,,,0.0,,,,,,
COC(=O)Cn1cc(C(=O)OC)cc(Br)c1=O,CID659240,0.0,,,,,,,,,,,,,,,,
COCc1c(Br)c(C)[nH]c(=O)c1C#N,CID716976,,,,,,,,,0.0,,,,,,,,
O=c1ccc(Br)c[nH]1,CID599528,,,,,,,,,,,,,,,,,0.0
Cc1cc(=O)[nH]c(SCC(N)=O)c1C#N,CID657923,,,0.0,0.0,,,,,,,0.0,0.0,,,,,
CCOCc1cc(C)[nH]c(=O)c1C#N,CID298474,,,,,,,0.0,,,,0.0,,,,,,
CCOC(=O)CC(=O)CSc1[nH]c(=O)cc(C)c1C#N,CID658109,,,,,,,,0.0,,,,,,,,,
CCOC(=O)CSc1[nH]c(=O)cc(C)c1C#N,CID2054211,,,,,,,,,,,0.0,0.0,,,,,
Cc1cc(=O)n(CCO)c(O)c1C#N,CID120054,,,,,,,0.0,,,,,,0.0,,,,
Cc1c(C=O)c(Cl)n(C)c(=O)c1C#N,CID2382426,,,,,,,,,,,,,,0.0,,,
COC(=O)Cn1ccc(N(C)C)c(C#N)c1=O,CID664110,,,,,,,,,0.0,,,,0.0,,,,
CCCCNC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O,CID2121670,,,,0.0,,,,,0.0,,,,,,,,0.0
Cc1cc(C(=O)O)c(=O)[nH]c1C,CID3152509,,,,,,,0.0,0.0,,,,,,,,,
C=CCSc1[nH]c(=O)cc(C)c1C(N)=O,CID2185556,,,,,0.0,,,,,,,,0.0,,,,
CCc1nc(N)c(C#N)c(-c2ccc(OC)c(OC)c2)c1C,CID652507,,0.0,,0.0,,,0.0,,,,,,0.0,,0.0,,0.0
C=CCSc1nc(N)c(C#N)c(-c2ccccc2)c1C#N,CID2057307,,0.0,,0.0,,,,,,0.0,,,0.0,,,0.0,
Cc1nc(N)c(C#N)c(-c2ccccc2)c1C,CID650363,,0.0,0.0,0.0,,0.0,,0.0,,,,0.0,,,,0.0,
Cc1cc(-c2cccc(Br)c2)c(C#N)c(N)n1,CID711468,,,,,,,,,,,,,,0.0,,,
CCOC(=O)CC(=O)CSc1nc(N)c(C#N)c(-c2ccc(Cl)cc2)c1C#N,CID658286,0.0,0.0,0.0,0.0,0.0,,,,0.0,,,0.0,0.0,,,,0.0
CCCCOC(=O)CSc1nc(N)c(C#N)c(-c2ccc(OC)cc2)c1C#N,CID659299,,,0.0,,,,,0.0,,,,,,,,,
CC(C)Cc1cc(-c2ccccc2)c(C#N)c(N)n1,CID668114,,,,,,0.0,,,,,,,,,,,
Cc1c(CC(C)C)nc(N)c(C#N)c1-c1ccccc1,CID748943,,,,,,,,,,,,,,,0.0,,
CCOC(=O)CSc1nc(N)c(C#N)c(-c2ccc(OCC)cc2)c1C#N,CID3241330,,,,0.0,,,,,0.0,,,0.0,,,,0.0,0.0
CCN(CC)c1ccc(-c2c(C#N)c(N)nc(OC)c2C#N)cc1,CID679950,,,,,,,0.0,,,,,,,,,0.0,
CCSc1nc(N)c(C#N)c(-c2ccccc2Cl)c1C#N,CID659287,,0.0,,,0.0,,,,,,0.0,,,,,,0.0
COc1ccccc1-c1c(C)c(C)nc(N)c1C#N,CID649978,,0.0,,,,,,,,,,0.0,,,,,
C=CCSc1nc(N)c(C#N)c(-c2ccc(C)cc2)c1C#N,CID660824,,0.0,,,,,0.0,,,,,,,,0.0,,
CCN(CC)C(=O)c1cncc(C(=O)N(CC)CC)c1-c1ccccc1,CID1070243,,,,0.0,,,0.0,,,,,,,,,,
CCC(=O)Nc1cccc(-c2c(C(=O)OC)c(C)nc(C)c2C(=O)OC)c1,CID1519307,,,0.0,,,,,,0.0,,,,0.0,,,,
CCc1nc(N)c(C#N)c(-c2ccccc2OC)c1C,CID653098,,0.0,,0.0,,,,0.0,,,,,,,,0.0,
CSc1nc(N)c(C#N)c(-c2ccc(Cl)cc2)c1C#N,CID661167,,0.0,,0.0,0.0,,,,,,,,,,,,0.0
CSc1nc(N)c(C#N)c(-c2ccccc2Cl)c1C#N,CID659242,,,,0.0,0.0,,,,,,,,,,,,0.0
CCCCOC(=O)CSc1nc(N)c(C#N)c(-c2ccc(OCC)cc2)c1C#N,CID659844,,,,,,,0.0,,,,,,0.0,,,,
CCOC(=O)c1c(C)nc(SCC(N)=O)c(C#N)c1-c1ccccc1,CID990726,,,,,,,,,,,,,,0.0,,,
CCOC(=O)CC(=O)CSc1nc(N)c(C#N)c(-c2ccc(F)cc2)c1C#N,CID658034,0.0,0.0,,,,,,,,0.0,0.0,,,,,,
CN(C)c1ccc(-c2ccncc2)cc1,CID227783,,,,,,,,0.0,,,,,,,,0.0,
CCCSc1nc(N)c(C#N)c(-c2ccc(C)cc2)c1C#N,CID660788,,,,,,,0.0,,,,,,,,,0.0,
CCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1-c1ccccc1,CID629929,,,,,,,,,,,,,,0.0,0.0,,
CCOC(=O)CSc1nc(N)c(C#N)c(-c2ccc(OC)cc2)c1C#N,CID659270,,0.0,,0.0,,,,0.0,0.0,0.0,,0.0,,,,,
CNc1nc(C)c(C#N)c(-c2ccccc2)c1C(C)=O,CID657615,,0.0,0.0,,,,0.0,0.0,,,,,0.0,,,,
CCCCOc1ccc(-c2c(C#N)c(N)nc(SCC(N)=O)c2C#N)cc1,CID658006,,,,,,,,,,,,,,,,0.0,0.0
CCCOc1nc(N)c(C#N)c(-c2ccccc2F)c1C#N,CID650585,,0.0,,,,,,0.0,,,,,,,,0.0,
CCOC(=O)c1c(C)nc(SC)c(C#N)c1-c1ccccc1,CID2332950,,,,,,,,,,,,,,,0.0,,
Cc1cc(-c2ccccc2)c(C#N)c(SCC(N)=O)n1,CID648486,,0.0,,0.0,,,,,,0.0,,,0.0,,,,
C=C(C)CSc1nc(N)c(C#N)c(-c2ccc(C)cc2)c1C#N,CID892465,,0.0,,,,,0.0,,,0.0,,,,,,,0.0
Cc1cc(-c2ccccc2)c(C#N)c(N)n1,CID610514,,,,,,,,,,,,,0.0,0.0,,,
COc1ccc(OC)c(-n2c(C)nc3cc(C(=O)O)ccc32)c1,CID3240391,0.0,,0.0,,,0.0,,1.0,,,,,,,,,
Nc1ccc(-n2cnc3cc([N+](=O)[O-])ccc32)cc1,CID827644,,,,,,,,,,,,,,0.0,,,
COc1ccc(OC)c(-n2cnc3cc(C(=O)O)ccc32)c1,CID3239142,,,,,,0.0,,,,,0.0,,,,,,0.0
Cc1nc2cc(S(=O)(=O)N(C)C)ccc2n1-c1ccccc1,CID744877,,,,,0.0,0.0,0.0,,,,,,,0.0,0.0,0.0,
COc1ccc2ncn(-c3ccccc3)c2c1,CID652633,,,,,,0.0,,,0.0,,,0.0,,,,1.0,
COCCNC(=O)c1ccc2c(c1)ncn2-c1ccc(F)c(F)c1,CID3238792,,,0.0,0.0,0.0,,0.0,,,,,,,,,,0.0
CCc1ccccc1-n1cnc2cc(C(=O)O)ccc21,CID3238454,0.0,,0.0,,,0.0,0.0,0.0,0.0,,,,,,,0.0,
CCC(=O)Nc1ccc2c(c1)ncn2-c1ccc(OC)cc1,CID777770,,,,,,,,,,,,0.0,,,,,
CCCNC(=O)c1ccc2c(c1)ncn2-c1ccccc1OC,CID3235725,0.0,,,,0.0,,,,0.0,,0.0,,,,,0.0,0.0
OCCNc1nc2ccccc2n1-c1ccccc1,CID2773134,,0.0,0.0,0.0,,,,0.0,,,0.0,0.0,0.0,,,,
COc1ccc(-n2cnc3ccccc32)cc1,CID743942,,,,,,,,,0.0,,,,,,,,
COc1ccccc1-n1cnc2cc(NC(C)=O)ccc21,CID745858,0.0,,,0.0,0.0,0.0,,,0.0,,,0.0,0.0,,,0.0,
CC(C)N(C(=O)CSc1nc2ccccc2n1-c1ccccc1)C(C)C,CID3275670,,,,,,,,,,0.0,,,,,,,
COCCNC(=O)c1ccc2c(c1)nc(C)n2-c1cc(OC)c(OC)c(OC)c1,CID3242468,,,,,,,,0.0,0.0,,,,,,,,
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(N)=O)n2-c1ccc(OC)cc1,CID4884328,,,,,,0.0,,,,,,,,,,,
CCC(=O)Nc1ccc2c(c1)ncn2-c1ccccc1,CID948973,,,,,,,,,,,,,,,0.0,,
CCC(=O)Nc1ccc2c(c1)ncn2-c1ccccc1OC,CID665732,0.0,,0.0,,0.0,,0.0,0.0,,,,0.0,,,,0.0,
Cc1nc2cc(C(=O)O)ccc2n1-c1ccc(F)cc1F,CID3239704,,,,,,,,,,,,,,,,,0.0
NC(=O)CSc1nc2ccccc2n1-c1ccccc1,CID617491,,0.0,,,,,,,,,0.0,,,,,,
Cc1nc2cc(C(=O)O)ccc2n1-c1ccccc1,CID619926,0.0,0.0,,,,,,,0.0,,,0.0,0.0,0.0,0.0,0.0,
O=[N+]([O-])c1ccccc1-n1cnc2ccccc21,CID794657,,,,,,,,,,,,,,,0.0,,
CC(Sc1nc2cc([N+](=O)[O-])ccc2n1-c1cccc(C(F)(F)F)c1)C(=O)NC(N)=O,CID15944948,,,,,,,,,,,,,,0.0,,,
Cc1nc2ccccc2n1-c1ccccc1,CID639427,,,,,,,0.0,,,,0.0,,,,,0.0,
Cc1ccccc1-n1c(C)nc2ccccc21,CID761579,,,0.0,,,,,0.0,,0.0,,,,,,0.0,
Cc1nc2cc(Cl)ccc2n1-c1ccccc1,CID97024,,,,,,,,,,,,0.0,,,,,
O=C(O)CSc1nc2ccccc2n1-c1ccccc1,CID817611,,,,,,,,,,,,,,,0.0,,
Cc1nc2cc(S(N)(=O)=O)ccc2n1-c1ccccc1,CID836757,,,,,,0.0,,,,,,,,,,,
COCCCNC(=O)c1ccc2c(c1)ncn2-c1ccccc1OC,CID3241852,,,,,0.0,,,,,,,,,,,,
COCCNC(=O)c1ccc2c(c1)nc(C)n2-c1cccc(F)c1,CID3244293,,,,0.0,,,,,,,,,,,,,
COc1ccc(-n2cnc3cc(N)ccc32)cc1,CID783122,,,,,,,,,,,,0.0,,,,,
CC(C)NC(=O)CSc1nc2ccccc2n1-c1ccccc1,CID2997864,0.0,,,,,,0.0,0.0,,,,0.0,0.0,,,0.0,
COc1cccc(-n2cnc3cccc(N)c32)c1,CID867648,,,,0.0,,,0.0,0.0,,,,,,,,0.0,
CCOC(=O)c1ccc(NC(=O)CCc2nc(-c3ccccc3)no2)cc1,CID666365,,,,,,0.0,,,0.0,0.0,0.0,,0.0,,,,
COc1ccccc1-c1noc(CCC(=O)Nc2cccc(C(F)(F)F)c2)n1,CID666363,0.0,,,,0.0,,,,,0.0,,,,,,,0.0
COc1cccc(NC(=O)CCc2nc(-c3ccccc3F)no2)c1,CID3806837,,,,,,,,,,,,0.0,,0.0,,,
O=C(CCc1nc(-c2ccccc2)no1)Nc1cc(C(F)(F)F)ccc1Cl,CID666112,,,,,,,,,,,,,,0.0,,,
CCN(C(=O)CCc1nc(-c2ccc(OC)cc2)no1)c1cc(OC)ccc1OC,CID3239836,,,,,0.0,,,,0.0,0.0,,0.0,,,,,
CCOC(=O)c1ccc(NC(=O)CCc2nc(-c3cccc(C)c3)no2)cc1,CID666398,,,,,0.0,,,,0.0,0.0,0.0,0.0,,,,,
Cc1ccc(-c2noc(CCC(=O)Nc3ccccc3C)n2)cc1,CID665846,0.0,0.0,,,,0.0,0.0,0.0,0.0,,,,,,,,
COc1ccc(NC(=O)CCc2nc(-c3ccc(C)cc3)no2)cc1Cl,CID3242553,0.0,,,,,0.0,0.0,,,,,,,,0.0,0.0,0.0
CCOC(=O)c1cccc(NC(=O)CCc2nc(-c3ccccc3F)no2)c1,CID3242960,,,,,,,,0.0,,,,,,,,,
Cc1cccc(-c2noc(CCC(=O)Nc3ccccc3)n2)c1,CID1869495,0.0,0.0,,0.0,,,0.0,0.0,,,,0.0,,,,,
CCOC(=O)c1cccc(NC(=O)CCc2nc(-c3ccc(C)cc3)no2)c1,CID3239912,,,,,0.0,,0.0,0.0,,0.0,,0.0,,,,,0.0
CCc1ccccc1NC(=O)CCc1nc(-c2ccc(C)cc2)no1,CID3237417,0.0,,,,,,0.0,,0.0,,0.0,0.0,,,,0.0,0.0
COc1ccccc1-c1noc(CCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1,CID667337,,,,,,,0.0,,,,,,,,,,
CCOC(=O)c1ccc(NC(=O)CCc2nc(-c3ccccc3Cl)no2)cc1,CID666204,0.0,,,,,,0.0,,,,,,0.0,,,0.0,
CCN(C(=O)CCc1nc(-c2ccccc2F)no1)c1cc(OC)ccc1OC,CID3244324,,,,,,,,0.0,,,,,,0.0,,,
COc1ccc(-c2noc(CCC(=O)Nc3cc(Cl)c(OC)cc3OC)n2)cc1,CID3238605,,,0.0,,,,,,,,,,0.0,,,0.0,0.0
CCc1ccccc1N(CC)C(=O)CCc1nc(-c2ccc(C)cc2)no1,CID3244778,0.0,0.0,,0.0,,,,,,,,,,,,0.0,
COc1ccc(-c2noc(CCC(=O)Nc3cc(OC)ccc3OC)n2)cc1,CID3237456,,,0.0,,,,0.0,,0.0,,,0.0,,,,,
COc1ccc(NC(=O)CCc2nc(-c3ccc(C)cc3)no2)c(OC)c1,CID3242106,0.0,0.0,,,0.0,0.0,,,0.0,,,,,,,,
CCOC(=O)c1ccc(NC(=O)CCc2nc(-c3ccc(C)cc3)no2)cc1,CID666868,,,0.0,0.0,0.0,,,,0.0,0.0,0.0,,0.0,,,,
CCc1ccccc1N(C)C(=O)CCc1nc(-c2ccc(C)cc2)no1,CID3245009,0.0,0.0,,,,,,,,,,,,,,0.0,
COc1cc(OC)c(NC(=O)CCc2nc(-c3ccc(C)cc3)no2)cc1Cl,CID3241202,0.0,0.0,,,,,,,,0.0,,,0.0,,,0.0,0.0
COc1ccccc1-c1noc(CCC(=O)Nc2cccc(C)c2)n1,CID665621,0.0,0.0,0.0,,,0.0,0.0,,0.0,0.0,0.0,,,,,,
COc1ccc(NC(=O)CCc2nc(-c3ccccc3F)no2)cc1,CID665625,,,,,,,,,,,,0.0,,,,,
COc1ccc(-c2noc(CCC(=O)N(C)c3cccc(C)c3)n2)cc1,CID3239198,,0.0,,,0.0,,,,0.0,,0.0,0.0,,,,,
CCOC(=O)c1ccc(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1,CID666468,0.0,,,,,0.0,0.0,,,,,,0.0,,,0.0,
Cc1ccc(-c2noc(CCC(=O)N(C)c3ccccc3C)n2)cc1,CID3236292,0.0,0.0,,0.0,,0.0,,,,,0.0,0.0,,,,,
COc1ccc(Cl)cc1N(C)C(=O)CCc1nc(-c2ccc(C)cc2)no1,CID3238858,,0.0,0.0,,0.0,,,,,,0.0,,0.0,,,0.0,0.0
COc1ccccc1-c1noc(CCC(=O)Nc2ccccc2Cl)n1,CID2019737,0.0,0.0,0.0,0.0,,,,,,,,,,,0.0,0.0,0.0
COc1ccc(-c2noc(CCC(=O)Nc3ccc(C)c(C)c3)n2)cc1,CID1250111,0.0,0.0,,,,,0.0,,0.0,0.0,,,,,,,
COc1ccc(-c2noc(CCC(=O)Nc3cccc(C)c3)n2)cc1,CID665665,0.0,,0.0,,,,,,,0.0,,0.0,0.0,,,,0.0
CC(=O)Nc1c(-c2ccc(F)cc2)nc2ccccn12,CID4162397,,,0.0,,,,,,,,,,,,,,
CCOC(=O)c1c(-c2ccccc2)nc2ccc(Cl)cn12,CID1473605,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1c(-c2ccccc2)nc2c(C)cccn12,CID1473604,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1c(-c2ccccc2)nc2ccc(C)cn12,CID1473602,,,,,,0.0,,,,,,,,0.0,,,
CCCCSc1ccc2nc(-c3ccc(C#N)cc3)cn2c1,CID7309570,,,,,,0.0,,,,,,,,,,,
COC(=O)Nc1c(-c2ccccc2)nc2ccc(C)cn12,CID651211,0.0,,,0.0,0.0,0.0,0.0,,0.0,,,,,,,,
CCOc1ccc(-c2cn3ccccc3n2)cc1,CID720519,,,,,,,,,,,,,,0.0,,,
COCCNc1c(-c2ccc(O)cc2)nc2ccc(Cl)cn12,CID655983,0.0,,,,,,0.0,,,0.0,,,,,0.0,0.0,0.0
CN(C)S(=O)(=O)c1ccc(-c2cn3ccccc3n2)cc1,CID725693,,,,,,,,,,0.0,,,,,,,
CCN(CC)S(=O)(=O)c1cccc(-c2cn3cc(C)ccc3n2)c1,CID947561,,,,,,,,,,,,0.0,,,,,
COC(=O)Nc1c(-c2ccccc2)nc2ccccn12,CID740413,0.0,,,,,,,,0.0,,,,,,,0.0,
COc1ccc(-c2cn3ccccc3n2)cc1[N+](=O)[O-],CID828035,,,,,,,,,,,,,,,0.0,,
Cc1ccc(-c2nc3ccccn3c2C=O)cc1,CID1096449,,,,,,,,,,,,,,0.0,,,
CC(=O)Nc1c(-c2ccc(C)cc2)nc2ccc(Cl)cn12,CID886528,,,,,,0.0,,,,,,,,,,,
CN(C)S(=O)(=O)c1cccc(-c2cn3ccccc3n2)c1,CID664793,0.0,,,0.0,0.0,0.0,,,,0.0,0.0,,0.0,,0.0,0.0,
CN(C)S(=O)(=O)c1cccc(-c2cn3cc(Cl)ccc3n2)c1,CID940617,,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1c(-c2ccccc2)nc2cc(C)ccn12,CID1473603,,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2nc3ccccn3c2C=O)cc1,CID712400,,,,,,,,,,,,,,0.0,,,
CCCCC(=O)Nc1cccc(-c2cn3ccccc3n2)c1,CID2888127,,,,,,0.0,,,,,,0.0,,,,,
Cc1ccc2nc(-c3cccc(S(=O)(=O)N(C)C)c3)cn2c1,CID664854,0.0,0.0,0.0,0.0,0.0,,,0.0,,,0.0,,,,,0.0,0.0
CCOC(=O)CNc1c(-c2ccc(O)cc2)nc2ccccn12,CID644595,0.0,,,,,,0.0,,0.0,,,0.0,,,,,
CCC(=O)Nc1c(-c2ccc(C)cc2)nc2ccccn12,CID843183,,,,,,0.0,,,,,,,,,,,
Cc1cccn2c(N)c(-c3ccccc3)nc12,CID2771075,,,0.0,0.0,,,,0.0,,,,0.0,,,,0.0,
CCOC(=O)c1c(-c2ccccc2)nc2ccccn12,CID1473601,,,,,,,,,,,,,,0.0,,,
O=C(O)/C=C\C(=O)Nc1cccc(-c2cn3ccccc3n2)c1,CID1906176,,,,,,0.0,,,,,,,,,,,
Cc1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cn2c1,CID749917,,,,,,0.0,,,,,,,,,,,
Cc1cccn2cc(-c3ccccc3)nc12,CID659642,,,,0.0,,0.0,,,,,0.0,,,,,,
Cc1ccn2cc(-c3cccc(NS(C)(=O)=O)c3)nc2c1,CID1504245,,,,,,,,,,,,,,,0.0,,
Cc1cccn2cc(-c3ccc(F)cc3)nc12,CID805501,,,,,,,0.0,0.0,,,,0.0,,,,,
CCOC(=O)C(=O)c1c(-c2ccccc2)nc2ccccn12,CID5115064,,,,,,,,,,,,,,,0.0,,
CCOC(=O)CNc1c(-c2ccc(OC)cc2)nc2ccc(Cl)cn12,CID3178566,,,,,,,,,,0.0,,,,,,,
CC1(C)CC(=O)C2=C(C1)NC(=O)CC2c1ccccc1F,CID2997336,,,,0.0,,0.0,,0.0,,,,,0.0,,,0.0,0.0
CC1(C)CC(=O)C2=C(C1)NC(=O)CC2c1ccc(N(CCC#N)CCC#N)cc1,CID2855190,,,,,,,,,,0.0,,,,,,,0.0
CCOc1ccc(C2CC(=O)NC3=C2C(=O)CCC3)cc1,CID3162357,,,,,,,0.0,,,0.0,,,0.0,,,0.0,0.0
O=C1CC(c2ccc(F)cc2)C2=C(CCCC2=O)N1,CID3162354,,,,,,,,,,,,,0.0,,,,
CCOc1ccccc1C1CC(=O)NC2=C1C(=O)CCC2,CID3162355,,,0.0,0.0,,,0.0,0.0,,,,,,,,0.0,
CCN(CC)c1ccc(C2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1,CID657461,,0.0,,,0.0,,,,,,0.0,,,,,0.0,
O=C1CC(c2cccc(F)c2)C2=C(CCCC2=O)N1,CID3162373,,,,0.0,,,,0.0,,,,0.0,0.0,,,,
CN(C)c1ccc(C2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1,CID628462,,,,,0.0,,,,,0.0,,0.0,,,0.0,,
O=C1CC(c2cccc(Br)c2)C2=C(CCCC2=O)N1,CID3241246,0.0,,,,,,,,,,0.0,,,,,0.0,0.0
COc1cc(C2CC(=O)NC3=C2C(=O)CC(C)(C)C3)ccc1O,CID3162366,0.0,,,,0.0,,0.0,0.0,,,,,,,,0.0,
CC(C)Oc1ccc(C2CC(=O)NC3=C2C(=O)CCC3)cc1,CID3162449,,,,,,,0.0,,,,,,0.0,,,,0.0
COc1cc(C2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1O,CID3162447,0.0,,0.0,,0.0,,0.0,,,,,,0.0,,,0.0,
COC(=O)c1ccc(C2CC(=O)NC3=C2C(=O)CCC3)cc1,CID3162382,,,,,,0.0,,,,0.0,,,0.0,,,,0.0
CCCCOc1ccccc1C1CC(=O)NC2=C1C(=O)CCC2,CID3243986,,,,0.0,,,,,,,,0.0,,,,0.0,0.0
COC(=O)C1C(=O)C2=C(CC1C)NC(=O)CC2c1ccccc1,CID3241976,,,,0.0,,,,0.0,,,,,,,0.0,,
COc1ccc(C2CC(=O)NC3=C2C(=O)CCC3)cc1Cl,CID3162370,0.0,0.0,,0.0,,0.0,,,,,0.0,,,,,0.0,0.0
CCOc1cc(C2CC(=O)NC3=C2C(=O)C(C(=O)OC)C(C)C3)cc(Cl)c1O,CID3241464,,,,,,,0.0,,,,,0.0,,,,,
COc1cccc(C2CC(=O)NC3=C2C(=O)CCC3)c1,CID3162368,,0.0,,,,,,,,0.0,,0.0,0.0,,,,0.0
O=C1CC(c2ccc(F)c(Br)c2)C2=C(CCCC2=O)N1,CID3244116,,,,,,,,,,,,,,,,0.0,0.0
CC1(C)CC(=O)C2=C(C1)NC(=O)CC2c1cccc(F)c1,CID2997107,,,0.0,,,,,0.0,,0.0,,,,,,,
CC1(C)CC(=O)C2=C(C1)NC(=O)CC2c1cc(F)ccc1F,CID3239945,,,,0.0,,,0.0,,,,,0.0,,,,,0.0
CCOc1cc(C2CC(=O)NC3=C2C(=O)C(C(=O)OC)C(C)C3)cc(Br)c1O,CID3237850,0.0,,,,,,,,,,,,,0.0,,,
COC(=O)C1C(=O)C2=C(CC1C)NC(=O)CC2c1ccc(O)c(OC)c1,CID3239250,,,,,0.0,,,,,,,,,,,,0.0
COC(=O)C1C(=O)C2=C(CC1C)NC(=O)CC2c1cccc(C)c1,CID3240546,,,,,,,,,,,,,0.0,0.0,,,0.0
CCOc1ccc(C2CC(=O)NC3=C2C(=O)CCC3)cc1Cl,CID3162371,0.0,0.0,,,,,,,,,,,0.0,,,,0.0
Cc1ccccc1C1CC(=O)NC2=C1C(=O)CCC2,CID3162372,,,,,,,,,,0.0,,,0.0,,,,
CCCOc1ccccc1C1CC(=O)NC2=C1C(=O)CCC2,CID3162379,,,,,,,0.0,0.0,,0.0,,,,,,0.0,
CCOc1ccccc1C1CC(=O)NC2=C1C(=O)CC(C)(C)C2,CID2997005,,,,,,,,,,,0.0,,,,,,0.0
CCC(C)Oc1ccccc1C1CC(=O)NC2=C1C(=O)CCC2,CID3243557,,,,,,,,,,,,,,,,,0.0
CC1(C)CC(=O)C2=C(C1)NC(=O)CC2c1ccc(F)cc1,CID3162346,,,,,,0.0,,0.0,,,,,0.0,,,0.0,
Cc1ccc(C2CC(=O)NC3=C2C(=O)CCC3)cc1Br,CID3241913,0.0,,,,,,,,,,0.0,,,,,0.0,0.0
COc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)cc1,CID3242293,,,,,,,,,,0.0,,,,,0.0,,
COc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(F)c(F)c3)CC2)cc1,CID3235735,0.0,,,,0.0,,,,,0.0,,,0.0,,,,
O=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1,CID3239778,0.0,,,,0.0,,,,,,,,,,,,0.0
COc1ccccc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1,CID3241108,0.0,,,,,,,,0.0,,,,,,,,0.0
O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1ccc(F)cc1F,CID3245716,0.0,,,,0.0,,,,,,,,,,,,
COc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(C)c(F)c3)CC2)cc1,CID3237652,,,,,,,,,,0.0,,,,,,,
O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)Nc1ccc(F)cc1F,CID3236097,0.0,,,,,,,,,,,,,,0.0,0.0,
O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)Nc1ccccc1F,CID3238273,,,,,,,,,0.0,,0.0,,,,,0.0,0.0
COc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1Cl,CID2264774,0.0,,,,,,,,,,,,0.0,,,,
COc1ccc(C)cc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1,CID3244000,0.0,,,,,,,,,,,,,,,,0.0
COc1ccc(C)cc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,CID3236971,,,,0.0,,,,0.0,,0.0,,,0.0,,,,
O=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1cccc(C(F)(F)F)c1,CID3244408,0.0,,,,0.0,,,,,,,,,,,,
O=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1cc(C(F)(F)F)ccc1Cl,CID3238868,0.0,,,,0.0,,,,,,,,,,,,0.0
COc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2)cc1,CID3242995,0.0,,,,0.0,,,,,,,,,,,,
CN(C)c1ccc(NC(=O)CN2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1,CID3236568,0.0,,,,0.0,,,,,,,,0.0,,,,0.0
COc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1,CID1091486,,,0.0,0.0,0.0,,,,0.0,,,0.0,0.0,,,,0.0
Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)c1C,CID4533256,,,,,,,,,,,,,,0.0,,,
COc1ccc(C)cc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1,CID3245627,,,0.0,,0.0,,,0.0,,,,,,,,,
COc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3cc(OC)cc(OC)c3)CC2)cc1,CID3243841,,,,,0.0,,0.0,,,,,,,,,,
COC(=O)c1ccc(NC(=O)CN2CCN(S(=O)(=O)c3cc(Cl)ccc3OC)CC2)cc1,CID3241572,0.0,,0.0,0.0,0.0,,,,,,,,,,,,
COc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)cc1OC,CID3238707,,0.0,0.0,0.0,0.0,,,,,,,,,,,,0.0
O=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1ccccc1F,CID3241687,,,,,0.0,,,,,0.0,,,,,,,0.0
COc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1Cl,CID3244044,0.0,0.0,,,0.0,,,,,0.0,,,,,,,
COc1cccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)c1,CID3239410,,0.0,0.0,,0.0,,,,,,,,,,,,0.0
O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1cccc(C(F)(F)F)c1,CID2999449,,,,,0.0,,,,,0.0,,,,,,,
O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)Nc1ccc(F)cc1,CID3238030,0.0,,,,,,,,,,,,,,,0.0,0.0
COc1ccc(NC(C)=O)cc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1,CID3237995,,,0.0,,0.0,,,,,,,,0.0,,,,
CCOc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1,CID3241767,0.0,0.0,,0.0,0.0,0.0,,,0.0,,,0.0,,,,,
COc1ccc(C)cc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1,CID3242974,0.0,0.0,,,0.0,,,,0.0,,,,,,,,0.0
CCN(CC)c1ccc(NC(=O)CN2CCN(S(=O)(=O)c3cc(Cl)ccc3OC)CC2)cc1,CID9550215,,,,,,,,,,,0.0,,,,,,
COc1cc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)cc(OC)c1,CID3236043,,,,,0.0,,,,,,,,,,,,
COc1cc(-c2noc(CCC(N)=O)n2)cc(OC)c1OC,CID665897,,0.0,,,,,,,0.0,,,,,,,,
CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)C(C)(C)C,CID1257973,,,,,,,,0.0,,,0.0,,0.0,0.0,,,
CNC(=O)CCCc1nc(-c2ccccc2Cl)no1,CID2234663,,,,,,0.0,,,0.0,0.0,,,,,0.0,,
CCOc1ccc(-c2noc(CCC(=O)NC)n2)cc1OCC,CID666760,,,,,0.0,,0.0,,0.0,,,,0.0,,,,
O=C(O)CCCc1nc(-c2ccccc2)no1,CID667252,,,0.0,,,,,,,,,,,,0.0,,
CN(C)C(=O)CCc1nc(-c2ccc(C(C)(C)C)cc2)no1,CID665578,,,,,,,0.0,0.0,,,,0.0,0.0,0.0,,,
CCOc1cc(-c2noc(CCCC(N)=O)n2)cc(Br)c1OC,CID666268,0.0,,,,,,0.0,,0.0,,,,,,,0.0,
CN(C)C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1,CID1953420,,,,,,,,,,0.0,,,,,,,
CCOc1ccc(-c2noc(COC)n2)cc1OC,CID2981021,,,0.0,,,,0.0,,,,,,,,,,
CCOc1ccc(-c2noc(CCC(=O)O)n2)cc1,CID5307115,,,1.0,,,,,,,,,,,,,,
O=C(O)CCc1nc(-c2ccc(Cl)cc2)no1,CID666122,,,,,,,,,,,,,,,0.0,0.0,
CCOc1ccc(-c2noc(CCC(N)=O)n2)cc1OCC,CID667125,0.0,,0.0,,,,0.0,,0.0,,,,,0.0,,,
CCNC(=O)CCc1nc(-c2ccc(C(C)(C)C)cc2)no1,CID665747,0.0,0.0,,,0.0,0.0,0.0,0.0,0.0,,,0.0,,0.0,0.0,,
CCOc1ccc(-c2noc(CCCC(N)=O)n2)cc1OC,CID1951381,,,,,,,,,0.0,,,,,,,,
COCc1nc(-c2cc(OC)c(OC)c(OC)c2)no1,CID667096,,,,0.0,,,,,,,,,,,,,
COc1ccc(-c2noc(CCC(N)=O)n2)cc1OC,CID667094,,0.0,,,,,,,0.0,,,,0.0,,0.0,,
CC(C)OCCCNC(=O)CCc1nc(-c2ccccc2)no1,CID666310,0.0,0.0,0.0,,0.0,0.0,,,,,,,0.0,0.0,,,
COCCCNC(=O)CCc1nc(-c2ccccc2)no1,CID666411,,,0.0,0.0,,,,0.0,0.0,,,,,,,,
COCCCNC(=O)CCc1nc(-c2ccccc2Cl)no1,CID665987,0.0,0.0,0.0,0.0,,,0.0,,0.0,0.0,,,,,0.0,0.0,0.0
COc1ccc(-c2noc(CN(C(=O)C(C)(C)C)C(C)C)n2)cc1,CID1258023,,0.0,0.0,0.0,,,0.0,,,,,,0.0,0.0,0.0,,
CNC(=O)CCc1nc(-c2ccc(C(C)(C)C)cc2)no1,CID665654,0.0,0.0,,0.0,0.0,,0.0,,0.0,,0.0,0.0,,0.0,,,
O=C(O)CCc1nc(-c2ccccc2)no1,CID665968,,,0.0,,,,,,,0.0,,,0.0,,0.0,,
CC(C)(C)c1ccc(-c2noc(CCC(N)=O)n2)cc1,CID666941,,,,0.0,,,,0.0,0.0,,,,0.0,,,,
COCCNC(=O)CCc1nc(-c2ccccc2)no1,CID665685,,,0.0,0.0,,,,0.0,0.0,,0.0,,0.0,,,,
CCCc1nc(-c2cc(OC)c(OC)c(OC)c2)no1,CID5007898,,,,,,0.0,,,,,,,,,,,
COc1ccc(-c2noc(CCCC(=O)O)n2)cc1,CID667316,,0.0,,,,,,0.0,,,,,0.0,0.0,,,
Cc1ccc(-c2noc(CCC(N)=O)n2)cc1,CID667292,,0.0,,0.0,,,,,0.0,,,,0.0,,,,
CC(C)(CC(=O)O)Cc1nc(-c2ccc(Cl)cc2)no1,CID5308463,,,,,,0.0,,,,0.0,,,,,,0.0,
Cc1ccc(-c2noc(CNCCCN(C)C)n2)cc1,CID662381,0.0,,0.0,,,,,0.0,,,,0.0,0.0,,,0.0,
O=C(O)CCc1nc(-c2ccccc2Cl)no1,CID667176,0.0,0.0,,,,0.0,,,,0.0,0.0,,,0.0,,0.0,
COCc1nc(-c2cc(Br)ccc2OC)no1,CID1952637,,,,,,,0.0,,0.0,,0.0,0.0,,,,,
CCCCOC(=O)Nc1nnc(-c2ccccc2OC)s1,CID665034,0.0,,,,0.0,0.0,0.0,,,,,,0.0,,,0.0,0.0
CCCCOc1ccc(-c2nnc(N)s2)cc1,CID659660,,,,,0.0,,,,,,,,,0.0,,0.0,0.0
CCNc1nnc(-c2ccccc2OC)s1,CID2174397,,0.0,,,,,,,,,0.0,,0.0,,,0.0,0.0
COc1ccccc1-c1nnc(NC(C)=O)s1,CID665459,,,0.0,0.0,,,,,,,,0.0,0.0,,,,0.0
Nc1nnc(-c2ccc(F)cc2)s1,CID554208,,,,0.0,,,,,,,,,,,,,0.0
CCOC(=O)Nc1nnc(-c2ccc(OC)c(OC)c2)s1,CID665159,0.0,,,0.0,,,0.0,0.0,,0.0,,,0.0,,,0.0,
Cc1cccc(-c2nnc(N)s2)c1,CID590957,,0.0,,,,0.0,,,,,0.0,,0.0,,,,
CCOc1ccc(-c2nnc(N)s2)cc1,CID792657,,0.0,,0.0,,,,0.0,,,,,,,,,
COc1nnc(-c2ccccc2)s1,CID849918,,,,,,,,,,,,,,,0.0,,
CCOC(=O)Nc1nnc(-c2cccc(OC)c2)s1,CID977379,0.0,0.0,,,,,,0.0,,,0.0,0.0,0.0,,,,0.0
N#CCCN(CCC#N)c1nnc(-c2ccccc2)s1,CID661530,,,,0.0,0.0,,,,,,,,,,,0.0,
COc1ccccc1-c1nnc(NC(=O)C(C)C)s1,CID665132,0.0,0.0,,0.0,0.0,,,0.0,,0.0,0.0,,,,0.0,0.0,
CCCCC(=O)N(CCOC)c1nnc(-c2ccc(OC)cc2)s1,CID650738,,0.0,0.0,,,,,,,,0.0,,0.0,,,,0.0
CCCC(=O)Nc1nnc(-c2cccc(OCC)c2)s1,CID659610,0.0,,,0.0,0.0,,,,,,0.0,0.0,0.0,,,0.0,0.0
CCOC(=O)Nc1nnc(-c2ccc(OC)cc2)s1,CID825398,,,,,,,,,,,0.0,,,,,,
Nc1nnc(-c2ccc(Cl)cc2)s1,CID668392,,,,,,,,,,,,0.0,,0.0,,,
COc1ccc(-c2nnc(N)s2)cc1,CID692882,,,,,,,,,,,,,,,,,0.0
CC(C)=CC(=O)Nc1nnc(-c2ccccc2)s1,CID1451458,,,,,,,,,,,,,,,0.0,,
COc1ccccc1-c1nnc(NC(=O)OCC(C)C)s1,CID665124,,,,,0.0,,0.0,0.0,,,,,0.0,0.0,,0.0,0.0
CCCCOc1cccc(-c2nnc(N)s2)c1,CID659709,,,,0.0,0.0,,,,,,,,,,,,
CCOC(=O)Nc1nnc(-c2ccccc2OC)s1,CID665560,0.0,0.0,0.0,0.0,,,0.0,,,,,,0.0,,,0.0,0.0
CCCCC(=O)Nc1nnc(-c2ccc(OC)cc2)s1,CID3099851,,,,,,,,,,0.0,,,,,,,
CCCOc1ccc(-c2nnc(N)s2)cc1,CID659528,,,0.0,0.0,,,,,,,,,,,,,0.0
COCCN(C(=O)C(C)C)c1nnc(-c2ccc(C)cc2)s1,CID3212634,,,,,,,,,,,,0.0,,,,,
COc1ccc(-c2nnc(NC(=O)C(C)C)s2)c(OC)c1,CID2345662,0.0,,,0.0,0.0,,0.0,0.0,0.0,0.0,0.0,,,,,0.0,0.0
CCCC(=O)N(C)c1nnc(-c2ccc(OC)cc2)s1,CID655904,,0.0,,,,,0.0,,,,,0.0,0.0,,,0.0,0.0
COC(=O)Nc1nnc(-c2ccccc2Cl)s1,CID665298,,0.0,,0.0,0.0,,0.0,,,0.0,,,,,,,
CCCOc1cccc(-c2nnc(N)s2)c1,CID659918,,0.0,,,,,0.0,,,,0.0,0.0,0.0,,,,0.0
COCCN(C(=O)C(C)C)c1nnc(-c2cccc(C)c2)s1,CID652198,,0.0,,,,,,,,,,0.0,,,0.0,,0.0
CNc1nnc(-c2cccc(N(C)C)c2)s1,CID647694,,,,,,,,0.0,,,,,,,,0.0,0.0
Nc1nnc(-c2ccccc2Cl)s1,CID554211,0.0,0.0,,,,,,,,,,,,,,,0.0
O=C1c2oc3ccc(Cl)cc3c(=O)c2C(c2cccc(Br)c2)N1CCO,CID665710,0.0,,,,,,,,,,,,,,,,0.0
CCCOc1ccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN(C)C)cc1,CID5013604,,,,,,,,0.0,,,,,,,,,0.0
CN(C)CCN1C(=O)c2oc3ccccc3c(=O)c2C1c1cccc(Br)c1,CID663694,0.0,,,,,,0.0,,0.0,,0.0,0.0,,,,0.0,0.0
COC(=O)c1ccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN(C)C)cc1,CID3695100,,,,,,,,0.0,,,,,,,,,
CCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2C1c1cccc(Br)c1,CID664656,0.0,,,,,,0.0,,0.0,,0.0,,,,,0.0,0.0
O=C1c2oc3ccc(Br)cc3c(=O)c2C(c2cccc(F)c2)N1CCO,CID665547,0.0,,,,,,,,0.0,,,,,0.0,,,0.0
CCN(CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2C1c1cc(OC)ccc1OC,CID663590,,,0.0,0.0,,,,0.0,,,0.0,,,,,,
COC(=O)c1ccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCO)cc1,CID665388,,,0.0,,,,,0.0,,0.0,,,,,,,
CCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccc(F)cc1,CID663894,,,0.0,,,,,0.0,,,,,,,,,
COCCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2C1c1ccc(O)cc1,CID666448,,,,,,,0.0,,,,,,,,,,
CN(C)CCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccc(F)cc1,CID663476,,,0.0,0.0,,0.0,,,,,0.0,,,,,,
O=C1c2oc3ccccc3c(=O)c2C(c2cccc(F)c2)N1CCCO,CID665442,,,,0.0,,,,,,,,,,,,,
CN(C)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2C1c1cccc(Br)c1,CID2954055,,,,,,,,,,,,,,,,,0.0
CCN(CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2C1c1cccc(OC)c1OC,CID663552,0.0,,,,,,,,,,,,,,,,
CCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccc(C)cc1,CID664441,,,0.0,,,0.0,,,,,,,,,,,0.0
COCCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2C1c1cccc(O)c1,CID666908,,,0.0,,,,0.0,,,,,,,,,,
Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(CCO)C3c1cccc(O)c1,CID666002,,,,,0.0,,0.0,,,,0.0,,,,,,0.0
CCCOc1ccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN(C)C)cc1OCC,CID4293311,,,,,,,,,,,0.0,,,,,,
COCCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccc(O)c(OC)c1,CID4887171,,,,,,,,0.0,,,,,,,,,
COCCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2C1c1cccc(O)c1,CID666102,,,,0.0,,,,,,,,,,,,0.0,
COc1cccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN(C)C)c1,CID5053070,,,,0.0,,,0.0,,,,,,0.0,,0.0,,
COCCN1C(=O)c2oc3ccccc3c(=O)c2C1c1cccc(OC)c1,CID3841831,,,,0.0,,,,0.0,,,,,,,,,
CCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccccc1,CID663940,,0.0,,0.0,0.0,0.0,,,,0.0,0.0,,,,,,
C=CCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccc(O)c(OC)c1,CID5310161,,,,0.0,,,,,,,,,,,,,
COCCN1C(=O)c2oc3ccccc3c(=O)c2C1c1cccc(O)c1,CID4888254,,0.0,,,,,,0.0,0.0,,,,,,,0.0,
CCCOc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CCN(CC)CC)cc1OC,CID664910,,,,,,,,0.0,,,0.0,,,,,,
COc1ccc(OC)c(C2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)c1,CID664395,,,,,,,0.0,0.0,,,,0.0,,,,,
CN(C)CCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccccc1,CID663561,,,,,0.0,0.0,,,,,,,0.0,,,,
CCOc1ccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN(C)C)cc1OC,CID5082658,,0.0,,,,0.0,,0.0,,,,,,,,,
COc1cccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)c1OC,CID664531,,,,,,0.0,0.0,,,0.0,,,,,,,
COCCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccc(OC)c(OC)c1,CID3324771,,,,,,,0.0,,,,,,0.0,,,,
O=S(=O)(Nc1ccc(Cl)cn1)c1ccccc1,CID555746,,,,,,,,,,,,,,0.0,,,
Cc1cccc(NS(=O)(=O)c2ccccc2)n1,CID776896,,,,,,,0.0,,,,,,0.0,,,,0.0
COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccccn1,CID977116,,,,,,,,,0.0,,,0.0,,,,,
Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1,CID5336,,0.0,,,,,,,,,,,0.0,,,,
COc1ccc(S(=O)(=O)Nc2cc(C)ccn2)cc1,CID747991,,,,,,,,,0.0,,,0.0,,,,,
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccn1,CID3108165,,,,,,,,,,,,,,0.0,,,
COc1cc(S(=O)(=O)Nc2ccc(Cl)cn2)ccc1F,CID935232,,,,,,,0.0,,,,,,,,,,
CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)c(C)c1C,CID649028,0.0,,,0.0,0.0,,,,,,0.0,0.0,,,0.0,,0.0
CCOc1cc(C)c(S(=O)(=O)Nc2ccc(Cl)cn2)cc1C,CID653931,,,0.0,,0.0,,0.0,,,,,,0.0,,0.0,,0.0
CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)ccn2)cc1,CID772016,,,,,,,,,,,,,,0.0,,,
O=S(=O)(Nc1ccccn1)c1ccc(Cl)cc1,CID224199,,0.0,,0.0,,,,,,0.0,,,,0.0,,,0.0
CCOc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cn1,CID2234360,0.0,0.0,0.0,,0.0,,,,,,,,,,0.0,,0.0
Cc1cc(Cl)c(S(=O)(=O)Nc2ccccn2)cc1OCC(N)=O,CID992277,0.0,,,0.0,,,,,0.0,,,,,,,,
COc1ccc(S(=O)(=O)Nc2cc(C)ccn2)cc1OC,CID778318,,,,,,,,,,,,0.0,0.0,,,0.0,
COc1ccc(S(=O)(=O)Nc2ccccn2)cc1OC,CID778315,,0.0,,,,,,,0.0,,,,,,,0.0,
COc1cc(S(=O)(=O)Nc2ccccn2)ccc1F,CID2147476,,,,,,,,,,,,0.0,,,,,
Cc1ccnc(NS(=O)(=O)c2ccc(CC(C)C)cc2)c1,CID768838,,,,,,,,,,,,0.0,,,,,
CCOc1cc(S(=O)(=O)Nc2ccccn2)ccc1F,CID850134,,,,,,,,0.0,,0.0,,0.0,,,,,
COCC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1,CID733309,,,,,,,,,,,,,,,0.0,,
CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1,CID725120,,,,,,,,,,,,,,,0.0,,
O=S(=O)(Nc1ncccc1O)c1ccc(Cl)cc1,CID573009,,0.0,,,,,,,,0.0,,,,,,,0.0
Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2)nc1,CID669661,,,,,,,,,,,,,,0.0,,,
COC(=O)CN(c1ccccn1)S(=O)(=O)c1ccccc1,CID646955,,,,,,,,,,,,0.0,,,,,
CCOC(=O)CN(c1ccccn1)S(=O)(=O)c1ccc(OC)cc1,CID2765461,,,,,,,,,,,,,,,0.0,,
COc1ccc(S(=O)(=O)Nc2ccccn2)c(C)c1C,CID976779,,,,0.0,,,,,0.0,,,,,,,,0.0
CCOc1cc(S(=O)(=O)Nc2ccc(Cl)cn2)ccc1F,CID850129,,0.0,,,,,,,0.0,0.0,,,,,,,0.0
COc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)c(C)c1C,CID646091,0.0,,,0.0,,,,,,0.0,,,0.0,,,,0.0
COc1cc(S(=O)(=O)Nc2ncccc2C)c(OC)cc1Cl,CID2236604,0.0,,,,,,,,,,,,,,,,0.0
COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cn1,CID648225,0.0,0.0,,,0.0,,0.0,,,,,0.0,0.0,,,,
CC(C)=CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1,CID731845,,,,,,,,,,,,,,,0.0,,
CCCOc1cccc(NC(=O)c2c(-c3ccccc3)noc2C)c1,CID2260458,,,0.0,,,,0.0,0.0,0.0,,,,0.0,,0.0,,
CC(=O)Nc1cccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)c1,CID1118260,0.0,,,0.0,,,0.0,,,,,,,,,0.0,0.0
Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccccc1C(=O)NC(C)C,CID2230378,,,,,,,,,,,,,,,,0.0,0.0
Cc1cccc(C)c1NC(=O)c1c(-c2ccccc2)noc1C,CID741138,0.0,,0.0,,0.0,0.0,0.0,,0.0,,0.0,,0.0,,,,
CCC(C)NS(=O)(=O)c1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1,CID2947022,,,,0.0,,0.0,,,,,0.0,,,,,,0.0
COc1ccc(NC(=O)c2c(-c3ccccc3)noc2C)c(OC)c1,CID808077,,,,,,,,,0.0,0.0,,0.0,0.0,,,,
Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1,CID1077862,,,,,,,,,,,,,,,0.0,,
CC(=O)Nc1cccc(NC(=O)c2c(-c3ccccc3)noc2C)c1,CID649749,,0.0,0.0,,,,,0.0,0.0,,,0.0,0.0,,,,
CCCOc1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1,CID2198505,0.0,,,0.0,,0.0,0.0,0.0,0.0,,0.0,,,,,,
Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(O)c(C(=O)O)c1,CID1150840,,,,,,0.0,,,,,,,,,,,
COc1ccc(Cl)cc1NC(=O)c1c(-c2ccccc2)noc1C,CID741168,,0.0,0.0,0.0,,,0.0,,,0.0,,,0.0,,,0.0,0.0
COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1c(-c2ccccc2Cl)noc1C,CID1044810,,0.0,,,,,,,,,,,,,,0.0,
CCCOc1ccccc1NC(=O)c1c(-c2ccccc2)noc1C,CID2197808,0.0,,0.0,0.0,,,,,0.0,,0.0,0.0,,,,,
Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(OC(C)C)cc1,CID975586,0.0,,0.0,0.0,,,,0.0,,,,0.0,,0.0,,,
Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccccc1,CID706243,,,,,,,,,,0.0,,,,,,,
COc1cc(OC)c(NC(=O)c2c(-c3ccccc3)noc2C)cc1Cl,CID1246987,0.0,,,,,,0.0,,,,0.0,,0.0,,,0.0,0.0
Cc1ccc(F)cc1NC(=O)c1c(-c2ccccc2)noc1C,CID976038,0.0,,0.0,,,,,,,,,,,,,,
Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc(C#N)c1,CID2084184,0.0,,,0.0,,,0.0,0.0,,,0.0,,0.0,,0.0,,
CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1,CID1086921,,,,,0.0,,0.0,0.0,,0.0,0.0,,0.0,,,,
CCNS(=O)(=O)c1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1,CID1252207,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)c(C)c1,CID707595,,,,,,0.0,,,,,,,,,,,
CC(=O)Nc1cccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)c1,CID1050485,0.0,,,,,,,,,,,,,,,,
Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc(OC(C)C)c1,CID869095,,,,0.0,,,,,,,,0.0,,0.0,,,
Cc1ccccc1NC(=O)c1c(-c2ccccc2)noc1C,CID651124,0.0,,0.0,,0.0,,0.0,0.0,,,0.0,,0.0,,,0.0,
CCCCNS(=O)(=O)c1ccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)cc1,CID2186453,,,,,,0.0,,,,,0.0,0.0,,,0.0,,
COc1ccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)c(OC)c1,CID1118257,0.0,0.0,0.0,0.0,,,,,,,,,0.0,,,0.0,0.0
COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1c(-c2ccccc2)noc1C,CID1246353,,,,,,,,,0.0,0.0,,,,,0.0,,
CCN(C(=O)c1c(-c2ccccc2)noc1C)c1ccccc1,CID807628,,,0.0,0.0,,,0.0,0.0,0.0,,,0.0,0.0,,,,
Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccccc1C(N)=O,CID987751,0.0,,,,,,0.0,,,,,,0.0,,,,
COC(=O)c1ccc(C)c(NC(=O)c2c(-c3ccccc3)noc2C)c1,CID2673168,0.0,,,,,,0.0,0.0,,,0.0,,0.0,0.0,,,
CN(C)c1ccc(C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CID2102825,,,,0.0,,,,,0.0,,,,,,,,
CC(C)N(C(=O)COC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1,CID2402200,,,,,,,,,,,,,,,0.0,,
CN(C(=O)COC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1,CID2387287,,,,,,,,,,,,,,,0.0,,
CNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccccc2F)c1,CID2115689,,,,,,,,,,,,,,0.0,,,
Cc1c(C(=O)OCC(=O)N(C)c2ccccc2)cccc1[N+](=O)[O-],CID2435017,,,,,,,,,,,,,,,0.0,,
CCN(CC)S(=O)(=O)c1cc(NC(=O)COC(=O)c2ccc(NC(=O)CC#N)cc2)ccc1C,CID4400557,,,,,,,,,,,,,,0.0,,,
CSc1ccccc1NC(=O)COC(=O)c1ccc(O)cc1,CID2371646,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccc(C(=O)OC)c(NC(=O)COC(=O)c2ccccc2OC)c1,CID2115631,,,,,,,,,,,,,,,0.0,,
COc1ccc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1,CID2115638,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(NC(=O)COC(=O)c2c(OC)cccc2OC)cc1,CID993149,,,,,,,,,,,,,,,0.0,,
Cc1cc(C(=O)OCC(=O)N(C)c2ccccc2)ccc1[N+](=O)[O-],CID2432422,,,,,,,,,,,,,,,0.0,,
CNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2cc(F)ccc2F)c1,CID2116020,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC(=O)COC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1,CID2352379,,,,,,,,,,,,,,,0.0,,
COc1cc(C(=O)OCC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc(OC)c1OC,CID2346481,,,,,,,,,,,,,,,,,0.0
COc1cccc(C(=O)OCC(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])c1,CID4009725,,,,,,,,,,,,,,,0.0,,
CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)ccc1F,CID5102375,,,,,,,,,,,,,,,0.0,,
COc1cc(C(=O)OCC(=O)Nc2ccc(F)cc2F)cc(OC)c1OC,CID2393211,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)N(C)C,CID3589422,,,,,,,,,,,,,,,0.0,,
O=C(COC(=O)c1ccccc1Br)Nc1ccccc1F,CID1667614,,,,,,,,,,,,,,,0.0,,
O=C(COC(=O)c1ccccc1)Nc1ccccc1Br,CID2397614,,,,,,,,,,,,,,,0.0,,
CN(C)c1cccc(C(=O)OCC(=O)Nc2ccccc2Cl)c1,CID2350074,,,,,,,,,,,,,,0.0,,,
CN(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccccc2OC(F)F)c1,CID2399399,,,,,,,,,,0.0,,0.0,,,,,0.0
COc1ccccc1C(=O)OCC(=O)Nc1ccc(OC(F)F)cc1,CID2387668,,,,0.0,,,,,,,,,,,,,0.0
O=C(COC(=O)c1ccccc1O)Nc1ccc(OC(F)F)cc1,CID2387667,,,,,,,,,,,,,0.0,,,,0.0
CCOc1cc(C(=O)OCC(=O)Nc2ccc(SC(F)F)cc2)cc(OCC)c1OCC,CID4126139,,,,,,,,,,,,,,0.0,,,
Cc1cccc(C)c1NC(=O)COC(=O)c1ccccc1[N+](=O)[O-],CID2335921,,,,,,,,,,,,,,,0.0,,
COc1cc(OC)c(C(=O)OC(C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC,CID3948911,,,,,,,,,,,,,,0.0,,,
CS(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2cccc(C#N)c2)c1,CID4840883,,,,,,,,,,,,,,,0.0,,
CCC(=O)Nc1ccccc1C(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1,CID2190341,,,,,0.0,,,,,,,,0.0,,,,
CNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccccc2OC(F)F)c1,CID2397931,,,,,,,,,,,0.0,,0.0,,,,0.0
CC(C)OCCCn1c(=N)c(C(N)=S)cc2c(=O)n3ccccc3nc21,CID662265,,0.0,,,,,,,,,,,,,,,
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)/c1=N/C(=O)C(C)(C)C,CID2152426,,,,,,,,,,,0.0,,,,,,
CCCCn1/c(=N/C(C)=O)c(C#N)cc2c(=O)n3cccc(C)c3nc21,CID663247,,,,,,,,0.0,,,,,,,,,
COCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)c1=N,CID653603,,0.0,0.0,0.0,,,,0.0,,0.0,,,0.0,,,,
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)/c1=N\C(C)=O,CID2152425,,,,,,,,,,0.0,,,0.0,,,,
C=CCn1c(=N)c(C(=O)NCCCOC)cc2c(=O)n3ccccc3nc21,CID652431,,,,,,0.0,0.0,,,,,,,0.0,,,0.0
CCCn1/c(=N\C(C)=O)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21,CID2058026,,,,,,,,0.0,,,,,,,,,
CCn1c(=N)c(C(=O)OC)cc2c(=O)n3ccccc3nc21,CID649167,,,,,,0.0,,,,,,,,,,,
C=CCn1c(=N)c(C(=O)OCC)cc2c(=O)n3cc(C)ccc3nc21,CID706390,,0.0,,,,0.0,,0.0,,,,,,,,,
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C)c1=N,CID660838,,,,,,,,,,,,,,0.0,,,
Cc1ccc2nc3c(cc(C(N)=S)c(=N)n3CCCOC(C)C)c(=O)n2c1,CID663750,,,,,,,,,,0.0,,,0.0,0.0,,,
CCCCCn1/c(=N/C(C)=O)c(C#N)cc2c(=O)n3ccccc3nc21,CID663752,,,,0.0,,0.0,,0.0,,,,,0.0,,0.0,,
CCCCCn1/c(=N/C(C)=O)c(C#N)cc2c(=O)n3cccc(C)c3nc21,CID664307,,0.0,,,,,,0.0,,0.0,0.0,,,,,,
CCn1c(=N)c(C(N)=O)cc2c(=O)n3cccc(C)c3nc21,CID649624,,0.0,,,,,,0.0,,,,,,,,,
C=CCn1c(=N)c(C(=O)NCCCOC)cc2c(=O)n3cccc(C)c3nc21,CID2929050,,,0.0,,,,,,,,,,,,,,
CNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)c1=N,CID750944,,,,0.0,,,0.0,0.0,,0.0,0.0,,,,,,
CCn1c(=N)c(C(=O)NC)cc2c(=O)n3cccc(C)c3nc21,CID660105,,0.0,,0.0,,,0.0,,,,,,,,,,
CCCn1/c(=N/C(C)=O)c(C#N)cc2c(=O)n3cccc(C)c3nc21,CID664186,,,,0.0,,,,0.0,,,,,,,,,
COC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)c1=N,CID2937218,,,0.0,,,,,,,,,,,,,,
C=CCn1c(=N)c(C(=O)NCCCOC)cc2c(=O)n3cc(C)ccc3nc21,CID3151326,,,,,,,,,,0.0,,,0.0,,,,
CCC(C)n1c(=N)c(C#N)cc2c(=O)n3cc(C)ccc3nc21,CID3151498,,,,,,,,,,,,,,,0.0,,
COC(=O)c1cc2c(=O)n3ccccc3nc2n(C)c1=N,CID660081,,0.0,,0.0,,,,0.0,0.0,0.0,,,,,,,
COCCCn1c(=N)c(C(N)=S)cc2c(=O)n3cccc(C)c3nc21,CID3242231,,,,,,,,,,,0.0,,,,,,
CCn1c(=N)c(C(=O)NCCCOC)cc2c(=O)n3cccc(C)c3nc21,CID661049,,,0.0,,,,,,,,,,,,,,
CCOCCCn1/c(=N\C(C)=O)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21,CID663425,,,,,,,0.0,0.0,,,0.0,,,,,,
CNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2n(C(C)C)c1=N,CID644537,,,,,,,0.0,,,,,,0.0,,,,
CCCn1c(=N)c(C#N)cc2c(=O)n3cccc(C)c3nc21,CID752656,,,,,,,,,,,,,,0.0,,,
C=CCn1c(=N)c(C#N)cc2c(=O)n3ccccc3nc21,CID706391,,,,,,,,,,,,0.0,,,,,
CCOCCCn1c(=N)c(C(N)=S)cc2c(=O)n3cccc(C)c3nc21,CID2927547,,,,,,,,,,,,,,,,0.0,
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCOC)/c1=N/C(=O)C(C)(C)C,CID2152384,,,,,,0.0,,,,,,0.0,,,,,
CCCOc1ccc(C(=O)NCc2ccco2)cc1,CID2282145,,,,0.0,,,,,0.0,,,,,,,0.0,
O=C(NCc1ccco1)c1ccccc1Br,CID721318,,,,,,,,,0.0,,,0.0,,,,,0.0
O=C(NCc1ccco1)c1ccc(COCC(F)(F)F)cc1,CID891692,,,,0.0,,,,,,,,,,,,,0.0
Cc1c(Br)cc(C(=O)NCc2ccco2)c(C)c1C,CID661143,0.0,,,,,,0.0,,,,,,,,0.0,,
CN(C)S(=O)(=O)c1cccc(C(=O)NCc2ccco2)c1,CID652389,,,,,,,,,,,0.0,0.0,,,,0.0,
O=C(NCc1ccco1)c1cccc(C(F)(F)F)c1,CID1247071,,,,,,,,,,,,,,0.0,,,
CSc1ccc(Cl)c(C(=O)NCc2ccco2)c1,CID790849,,0.0,,,,,,,,,0.0,,,0.0,,,
CN(c1ccccc1C(=O)NCc1ccco1)S(C)(=O)=O,CID835230,,,,0.0,,,,,,,,,,,,,
COc1cc(C(=O)NCc2ccco2)cc(OC)c1OC,CID43247,,,,,,,0.0,,0.0,,,,,,,0.0,
CC(C)Oc1ccc(C(=O)NCc2ccco2)cc1,CID762359,,,,,,,0.0,,0.0,,0.0,,0.0,,0.0,0.0,0.0
O=C(NCc1ccco1)c1ccc(COCC(F)(F)C(F)F)cc1,CID656119,,,,,,,,,0.0,,,,,,,,
CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccco2)c1,CID891338,,,,,,,,,,0.0,,0.0,,0.0,,,
CCSc1ccccc1C(=O)NCc1ccco1,CID971293,,,,,,,,,,0.0,,,,,,,
COc1cc(C(=O)NCc2ccco2)c(Br)c(OC)c1OC,CID1324829,0.0,,,,,,,,,,,,,,,,0.0
CS(=O)(=O)Nc1ccc(C(=O)NCc2ccco2)cc1,CID1251695,,0.0,,0.0,0.0,,,,,,,,,,,,
CN(c1ccc(C(=O)NCc2ccco2)cc1)S(C)(=O)=O,CID975983,,,,,,,0.0,,,,,0.0,,,,,
CCCCNC(=O)Nc1ccccc1C(=O)NCc1ccco1,CID663981,0.0,,,0.0,,,,,0.0,0.0,0.0,,,,,0.0,
CCOc1ccc(C(=O)NCc2ccco2)cc1,CID743716,,,,,,,0.0,,0.0,0.0,,,,,,,
CC(C)COc1ccc(C(=O)NCc2ccco2)cc1,CID886966,,,,,,,0.0,,,0.0,0.0,,,,,0.0,
CS(=O)(=O)Nc1ccccc1C(=O)NCc1ccco1,CID900495,,,,,0.0,,,0.0,,,,,,,,0.0,
CCCCOc1ccc(C(=O)NCc2ccco2)cc1,CID3104616,,,,,,0.0,0.0,,,,,,0.0,,,,
COCCSc1ccccc1C(=O)NCc1ccco1,CID1803157,,,,,0.0,,0.0,,,,,,,0.0,,,
O=C(NCc1ccco1)c1cccc(F)c1,CID310548,,,,0.0,,,0.0,,,,,,0.0,,,0.0,
O=C(O)CCC(=O)Nc1ccccc1C(=O)NCc1ccco1,CID851959,,,,,,,,,,,0.0,,,,,,
Cc1ccc(C(=O)NCc2ccco2)cc1Br,CID935017,,,,,,,,,0.0,,,,,,,,
CC(C)(C)C(=O)Nc1ccccc1C(=O)NCc1ccco1,CID777756,0.0,,0.0,0.0,0.0,0.0,0.0,,0.0,,,,0.0,,,,0.0
CCC(CC)C(=O)Nc1cccc(C(=O)NCc2ccco2)c1,CID974087,,,,0.0,0.0,,0.0,0.0,0.0,,,0.0,,,,,0.0
CCCCOc1cccc(C(=O)NCc2ccco2)c1,CID3236227,0.0,,,,,,0.0,,,,0.0,,,,,,0.0
COc1cc(C(=O)NCc2ccco2)c([N+](=O)[O-])cc1OC,CID775345,,,,,,0.0,,,,,,,,,,,
CCOc1ccccc1C(=O)NCc1ccco1,CID649290,,,0.0,,,,,,0.0,,0.0,,0.0,0.0,,0.0,0.0
CC1=C(C(=O)Nc2ccc(C)cc2)C(c2ccc(N(C)C)cc2)NC(=O)N1,CID2851847,0.0,,0.0,,,,,,0.0,,0.0,,,,,,0.0
COc1cc(OC)c(C2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C)cc1OC,CID2853400,,,,,,0.0,,,,,,,,,,,
COc1ccc(OC)c(C2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)cc2C)c1,CID2908461,0.0,,,,,,,,0.0,,,0.0,,,,0.0,0.0
CC1=C(C(=O)Nc2ccccc2)C(c2ccc(N(C)C)cc2)NC(=O)N1,CID659772,0.0,,,,,,,,0.0,,0.0,,0.0,,,0.0,0.0
CCN(CC)c1ccc(C2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)cc1,CID655829,0.0,0.0,0.0,,,,,0.0,0.0,,0.0,,,,0.0,0.0,
CCOc1ccccc1NC(=O)C1=C(C)NC(=O)NC1c1cccc(OC)c1OC,CID3242530,0.0,,,,,0.0,,,,,,,,,,0.0,0.0
COc1ccc(C2NC(=O)NC(C)=C2C(=O)Nc2cc(C)ccc2C)cc1OC,CID2928528,0.0,,0.0,,,0.0,0.0,,,,0.0,,0.0,,,,
CC1=C(C(=O)Nc2ccccc2C)C(c2ccccc2)NC(=O)N1,CID3254253,,,,,,,,,,,,,,,,0.0,
COc1ccccc1NC(=O)C1=C(C)NC(=O)NC1c1ccccc1F,CID2879455,0.0,,,,,,,,,,,,,,,0.0,
CC1=C(C(=O)Nc2ccccc2C)C(c2ccc(C(C)C)cc2)NC(=O)N1,CID4672551,,,,,,0.0,,,,,,,,,,,
CCOC(=O)C(C)Oc1ccc(C2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C)cc1,CID2962610,,,,0.0,,,,0.0,,,,,,,,0.0,0.0
COc1ccc(OC)c(C2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)cc2)c1,CID2852981,0.0,,0.0,0.0,,0.0,,,,,0.0,,,,,0.0,0.0
COc1cccc(C2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C)c1,CID2879269,0.0,,,,,,,,0.0,,,0.0,,,,0.0,0.0
COc1cccc(C2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)cc2)c1,CID4368846,,,,,,,0.0,,,,,,,,,,
CC1=C(C(=O)Nc2ccccc2Cl)C(c2ccc(N(C)C)cc2)NC(=O)N1,CID2874197,0.0,0.0,0.0,,,,0.0,,,,,0.0,,,,0.0,0.0
COc1ccc(C2NC(=O)NC(C)=C2C(=O)Nc2cccc(Cl)c2)cc1,CID2867189,,,,,,0.0,,,,,,,,,,,
COc1ccc(Cl)cc1NC(=O)C1=C(C)NC(=O)NC1c1ccccc1F,CID2886011,,,,,,0.0,,,,,,,,,,,
COc1ccc(C2NC(=O)NC(C)=C2C(=O)Nc2cccc(C)c2C)cc1,CID3707929,0.0,,,,,,0.0,0.0,,,,,,,,,
COc1ccc(OC)c(C2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C)c1,CID2853618,,,,,,0.0,,,,,,,,,,,
COc1ccccc1NC(=O)C1=C(C)NC(=O)NC1c1cccc(OC)c1OC,CID2879028,0.0,,0.0,,,,,,,,,,,,,0.0,
CC1=C(C(=O)Nc2ccc(Cl)cc2)C(c2ccc(F)cc2)NC(=O)N1,CID2867418,,,,,,0.0,,,,,,,,,,,
CCOC(=O)C(C)Oc1ccccc1C1NC(=O)NC(C)=C1C(=O)Nc1ccc(C)c(C)c1,CID2960655,,,,,,,,,,,,,,,,,0.0
COc1ccc(NC(=O)C2=C(C)NC(=O)NC2c2cccc(OC)c2OC)c(OC)c1,CID2920703,,,,,,,,,,0.0,,,,,,,0.0
COc1ccccc1NC(=O)C1=C(C)NC(=O)NC1c1ccc(C)cc1,CID3131725,,,,,,,,,0.0,,,,,,,0.0,0.0
COc1ccccc1C1NC(=O)NC(C)=C1C(=O)Nc1cccc(C)c1C,CID4358109,,0.0,,0.0,,0.0,,0.0,,,,,,,,,
COc1cccc(C2NC(=O)NC(C)=C2C(=O)Nc2cc(OC)ccc2OC)c1,CID2910252,0.0,,,,,,,0.0,,,,,,,,0.0,0.0
COc1cc(C2NC(=O)NC(C)=C2C(=O)Nc2cccc(C)c2C)cc(OC)c1OC,CID658938,0.0,,,,,,,,,0.0,,,,,,,0.0
COc1cccc(C2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)cc2)c1OC,CID2850737,0.0,,,,,0.0,0.0,,,,,0.0,,,,,0.0
COc1cccc(C2NC(=O)NC(C)=C2C(=O)Nc2cccc(C)c2C)c1,CID658690,0.0,0.0,0.0,,,,,,0.0,,0.0,,,,,0.0,
COc1ccc(C2NC(=O)NC(C)=C2C(=O)Nc2cc(Cl)ccc2C)cc1OC,CID2886096,,,,,,0.0,,,,,,,,,,,
Cn1c(=O)n(C)c2cc(C(N)=O)ccc21,CID1091852,,,0.0,,,,0.0,,0.0,,,0.0,,,,0.0,
CC(C)(C)NC(=O)Cn1c(=O)n(CC(=O)NC(C)(C)C)c2ccccc21,CID609555,,,,,,,,,,,,,,,0.0,,
CCCCOC(=O)Cn1c(=O)n(CC(=O)OCCCC)c2ccccc21,CID1894652,,,,,,0.0,,,,0.0,,,,0.0,,,
C=C(C)n1c(=O)[nH]c2ccccc21,CID100278,,,,,,,,,,,,0.0,,,,,
COCCNC(=O)Cn1c(=O)n(C)c2ccccc21,CID2020993,,,,,,,,,0.0,,,,,,,,
CCOC(=O)n1c(=O)n(C)c2ccc(Cl)cc21,CID1484103,,,,,,,,,,,,,,0.0,,,
C=CCn1c(=O)n(CC=C)c2c(C)cc(C)cc21,CID757043,,,0.0,,,,,0.0,,,,,,,,,
Cn1c(=O)n(CCC(=O)O)c2ccccc21,CID661355,,0.0,,0.0,,0.0,,0.0,,,,,0.0,,,,
CCCC(=O)OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1,CID2079894,,,,,,,,,,,,,,0.0,,,
CC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C,CID973024,,,0.0,,,,,,,,,,,,,,
Cn1c(=O)n(CC(N)=O)c2ccccc21,CID663461,,,,0.0,,,,,0.0,,,0.0,0.0,,,,
CCCCOC(=O)Cn1c(=O)n(CC(=O)OCCCC)c2cc(C)ccc21,CID1900387,,,,,,0.0,,,,,,,,,,,
CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1,CID787615,,0.0,,0.0,,,0.0,0.0,,,,,0.0,,,,
CN(C)C(=O)Cn1c(=O)n(C)c2ccccc21,CID664799,,,,0.0,,,0.0,,,,0.0,,,,,,
Cn1c(=O)n(C)c2cc(NS(C)(=O)=O)ccc21,CID648539,,,,0.0,,,,,,,,,0.0,,,,
CCn1c(=O)n(CC)c2cc(S(N)(=O)=O)c(C)cc21,CID1253646,,,,0.0,,,0.0,0.0,,,,,0.0,,,,
CCOC(=O)Cn1c(=O)n(CC(=O)OCC)c2ccccc21,CID302926,,,,,,,,0.0,,0.0,,,,,,,
CCCn1c(=O)n(N)c2ccccc21,CID827916,,,,,,,,,,,,,,,0.0,,
CCCCNC(=O)Cn1c(=O)n(C)c2ccccc21,CID2036061,,,,0.0,,,,,,,,0.0,,,,,
CC(C)n1c(=O)[nH]c2ccccc21,CID1653580,,,0.0,,,,,,,,,0.0,,,,,0.0
Cn1c(=O)n(C)c2cc(S(=O)(=O)O)ccc21,CID2055845,,,0.0,,,,0.0,,,,,,,,,,
CCCCn1c(=O)[nH]c2ccccc21,CID1734838,,,,0.0,,0.0,,,,,,,,,,,
Cn1c(=O)n(C)c2cc(NC(=O)CCl)ccc21,CID1096383,,,,,,,,,,0.0,,,,,,,
CCn1c(=O)n(CC)c2cc(S(N)(=O)=O)ccc21,CID715107,,,,,,,,,,,,0.0,,,,,
CN(C)c1c([N+](=O)[O-])cc2[nH]c(=O)[nH]c2c1[N+](=O)[O-],CID3093030,,,,,,,,,0.0,,,,,,,,
Cn1c(=O)n(C)c2cc(NC(=O)C(F)(F)F)ccc21,CID649424,,,,,,,,,0.0,,,0.0,,,,,
CNC(=O)Cn1c(=O)n(C)c2ccccc21,CID945489,,,,,,,,0.0,0.0,,,0.0,,,,,
CCCn1c(=O)[nH]c2ccccc21,CID1527023,,,,,,,,,,,,0.0,,,,,
Cn1c(=O)n(C)c2cc(C(=O)O)ccc21,CID652224,,0.0,,,,,,,,,,0.0,0.0,,,,
C=CCn1c(=O)n(CC=C)c2cc(C)ccc21,CID755066,,,,,,0.0,,,,,,,,,,0.0,
COc1cc(NC(=O)CSc2nccc(C)n2)c(C(=O)O)cc1OC,CID649209,,0.0,0.0,,,0.0,0.0,,0.0,,,,0.0,0.0,,0.0,
CCOC(=O)c1ccccc1NC(=O)CSc1ncc(C(=O)OCC)c(N)n1,CID649913,,,,0.0,0.0,,,,0.0,,,,,,,0.0,
COc1ccc(NC(=O)CSc2nccc(C)n2)cc1,CID863161,0.0,0.0,0.0,0.0,,,0.0,0.0,,0.0,0.0,,0.0,,,0.0,0.0
Cc1cc(C)nc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1,CID2879195,,,,,,0.0,,,,,,,,,,,
COC(=O)c1ccccc1NC(=O)CSc1nc(N)cc(N)n1,CID2168982,,,,,,,0.0,,,,,,,,,,
CCOc1ccc(NC(=O)CSc2nc(C)cc(C)n2)cc1,CID769987,,,,,,,,,,,0.0,,,,,,
Cc1cccc(NC(=O)CSc2nc(N)cc(N)n2)c1,CID699034,,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1cnc(SCC(=O)Nc2ccc(NC(=O)CC)c(OC)c2)nc1N,CID656053,,,,0.0,0.0,,,,,0.0,,,,,,,
CCOC(=O)c1cnc(SCC(=O)Nc2cc(OC)cc(OC)c2)nc1N,CID655566,,,,,,,,,,,0.0,,,,,0.0,0.0
CCOC(=O)c1ccccc1NC(=O)CSc1nc(N)cc(N)n1,CID2708742,,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1cnc(SCC(=O)Nc2ccccc2C(=O)OC)nc1N,CID3140425,,,,,,,,,,,0.0,,,,,,
COc1ccc(NC(=O)CSc2nc(C)cc(C)n2)cc1,CID2927686,,,,,,,,,0.0,0.0,,,,,,,
Cc1cc(C)nc(SC(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)n1,CID2955737,,0.0,0.0,,,,,,0.0,0.0,,,,,,0.0,
COc1ccc(Cl)cc1NC(=O)CSc1nc(C)cc(C)n1,CID815338,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1cnc(SCC(=O)Nc2ccc(NC(C)=O)c(OC)c2)nc1N,CID649250,,,0.0,,,,,,,0.0,0.0,,0.0,,,,
CCOC(=O)c1cccc(NC(=O)CSc2nc(N)cc(N)n2)c1,CID650951,,0.0,,,,,,,,,,,,,,,
Cc1cc(C(F)(F)F)nc(SCC(=O)Nc2ccccc2)n1,CID2225054,0.0,,,,0.0,,,,,,,0.0,,,,,0.0
Nc1cc(N)nc(SCC(=O)Nc2ccc(Br)cc2Cl)n1,CID1304646,,,,,,,,,,,,,,,,0.0,
CCOC(=O)c1cnc(SCC(=O)Nc2cccc(OC)c2)nc1N,CID1148925,,,,,,,,,0.0,,,,,,,,
N#Cc1cnc(SCC(=O)Nc2ccccc2C(F)(F)F)nc1N,CID3243379,,0.0,,,0.0,,,,,,,,,,,,
O=C(CSc1ncccn1)Nc1ccccc1,CID723211,,0.0,,0.0,,,,,,,,,,,,,
CCOC(=O)c1ccc(NC(=O)CSc2ncccn2)cc1,CID967329,0.0,0.0,,0.0,,,,,0.0,,0.0,0.0,,,,0.0,0.0
COc1ccc(NC(=O)CSc2nc(C)cc(C(F)(F)F)n2)cc1,CID2236145,,0.0,,,0.0,,,,,,,,,,,,0.0
CC(Sc1ncc(C#N)c(N)n1)C(=O)Nc1ccccc1,CID647391,,0.0,,0.0,,,,,,,,,,,,,
Nc1cc(N)nc(SCC(=O)Nc2ccccc2)n1,CID788521,,,,,,,,,,,,0.0,,,,,
COc1ccccc1NC(=O)CSc1nc(N)cc(N)n1,CID846576,,,,,,,,,,0.0,,0.0,,,0.0,,
Cc1cc(C)nc(SCC(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)n1,CID1249019,,,,,,,,,0.0,0.0,0.0,,,,,,
COc1ccc(OC)c(NC(=O)CSc2ncccn2)c1,CID2083396,,,,,,,,,0.0,0.0,,,,,,,
COc1cccc(NC(=O)CSc2nc(N)cc(N)n2)c1,CID751748,,,,0.0,,,,,,,,,0.0,,,,
Cc1cc(C)nc(SCC(=O)Nc2ccc(S(=O)(=O)NCCO)cc2)n1,CID2141783,,,,,,,,,,0.0,,,,,0.0,,
N#Cc1ccccc1NC1=CC(=O)CCC1,CID184360,,,,,,,0.0,,,,,,,,0.0,,
Cc1cc(N)c(NC2=CC(=O)CC(C)(C)C2)cc1C,CID3242790,0.0,0.0,,0.0,,,,0.0,,0.0,,0.0,,,,,
Cc1ccccc1NC1=CC(=O)CC(C)(C)C1,CID698518,,,,,,,,,0.0,0.0,0.0,0.0,,,,,
CCCC(=O)C1=C(Nc2ccccc2OC)CC(C)(C)CC1=O,CID788284,,,,,0.0,0.0,,,,,,,,,,0.0,
Cc1ccc(NC2=CC(=O)CC(C)(C)C2)cc1C,CID744722,,,,,,,,,0.0,,,,,,,0.0,
COc1ccc(NC2=CC(=O)CC(C)(C)C2)cc1OC,CID763493,,,,,,0.0,,,,0.0,0.0,,,,,0.0,
CCCC(=O)C1=C(N(C)c2ccccc2)CC(C)(C)C(C(=O)OC)C1=O,CID2834726,,,0.0,,,,,,,,,,,,,,
Cc1ccc(NC2=CC(=O)CCC2)cc1C,CID888694,,,,,,0.0,,0.0,0.0,0.0,0.0,0.0,,,,0.0,
Cc1ccc(NC2=CC(=O)CC(C)(C)C2)c(N)c1,CID651745,0.0,0.0,,,,,,,,,,0.0,,,,,
CC1(C)CC(=O)C=C(Nc2cccc(O)c2)C1,CID749382,,,,0.0,,,0.0,0.0,,0.0,0.0,0.0,,,,0.0,
CC1(C)CC(=O)C=C(Nc2ccc(C(=O)O)cc2)C1,CID749385,,,,,,,,,0.0,,,,,,,,0.0
CC(=O)Nc1ccc(NC2=CC(=O)CC(C)(C)C2)cc1,CID749387,0.0,,,,,,0.0,0.0,,0.0,,0.0,,,,0.0,0.0
COC(=O)c1ccc(NC2=CC(=O)CC(C)(C)C2)cc1,CID661118,,,,,,,0.0,,0.0,0.0,0.0,,,,,,
CC(O)c1cccc(NC2=CC(=O)CC(C)(C)C2)c1,CID2939403,,0.0,,,,,,0.0,,,,,,,,,0.0
CCCC(=O)C1=C(Nc2ccc(OC)cc2OC)CC(C)(C)CC1=O,CID645458,,,,,,0.0,,,,,,,,0.0,,0.0,
CC1(C)CC(=O)C=C(Nc2ccccc2F)C1,CID685191,,,0.0,0.0,,0.0,,0.0,,,,,,,,,
CC1(C)CC(=O)C=C(Nc2ccc(F)cc2F)C1,CID549453,,,,,,,,,,,,,0.0,,,,0.0
CC1(C)CC(=O)C=C(Nc2ccc(S(N)(=O)=O)cc2)C1,CID684394,,0.0,0.0,0.0,0.0,,0.0,,,,,,0.0,,,,
CC1(C)CC(=O)C=C(Nc2ccc(F)cc2)C1,CID600947,,,,0.0,,,,,,0.0,,,0.0,,,,0.0
CC1(C)CC(=O)C=C(Nc2ccc(OCC(F)(F)C(F)F)cc2)C1,CID761218,,,,,,,,,0.0,,,,,,,,0.0
COc1cccc(NC2=CC(=O)CC(C)(C)C2)c1,CID744717,,,,,,,0.0,,0.0,,0.0,,,,,0.0,
CC1(C)CC(=O)C=C(Nc2ccccc2O)C1,CID3238123,,,,,,0.0,,0.0,,,0.0,0.0,,,,,
CCCC(=O)C1=C(Nc2ccccc2)CC(C)(C)C(C(=O)OC)C1=O,CID2834695,,,,,,,,,,,,,,0.0,,0.0,0.0
COc1cc(NC2=CC(=O)CC(C)(C)C2)cc(OC)c1,CID797933,,0.0,,,,,,0.0,,,,,0.0,,,0.0,0.0
CCCOc1ccc(NC2=CC(=O)CC(C)(C)C2)cc1,CID2914258,,,,,,,,0.0,,0.0,,,,,,,
CCCCC(=O)C1=C(Nc2ccccc2OC)CC(C)(C)CC1=O,CID3434958,,,,,,,,,,,,,,,0.0,,
COc1cc(NC2=CC(=O)CC(C)(C)C2)cc(OC)c1OC,CID658335,,0.0,,0.0,,,0.0,0.0,,,0.0,,,,,0.0,0.0
CCCCC(=O)C1=C(Nc2ccc(OC)cc2)CC(C)(C)CC1=O,CID5071279,,,,,,,,,,,0.0,,,,,,
CCCC(=O)C1=C(Nc2ccc(N)cc2)CC(C)(C)C(C(=O)OC)C1=O,CID4614417,,,,,,0.0,,,0.0,,,,,,,,
CCCCSc1nc2n(-c3ccc(C)c(C)c3)[nH]cc-2c(=O)n1,CID2153220,0.0,0.0,,0.0,,,,,,,0.0,,0.0,,,0.0,
CCC(Sc1nc2n(-c3ccccc3)[nH]cc-2c(=O)n1)C(=O)OC,CID3277374,,0.0,,,,,,,,,,,,,,0.0,
CC(C)Sc1nc2n(-c3ccc(F)cc3)[nH]cc-2c(=O)n1,CID756433,0.0,0.0,,,0.0,,,0.0,,0.0,,,,,,,
CSc1nc2n(-c3ccc(C)c(C)c3)[nH]cc-2c(=O)n1,CID866975,,0.0,0.0,,,,0.0,0.0,0.0,0.0,,,,,,0.0,0.0
CCSc1nc2n(-c3ccc(C)c(C)c3)[nH]cc-2c(=O)n1,CID866976,0.0,0.0,0.0,,,,0.0,0.0,,,,,,,0.0,,0.0
CCOC(=O)CSc1nc2n(-c3ccc(C)cc3)[nH]cc-2c(=O)n1,CID866971,,,,0.0,,,,0.0,0.0,,0.0,,0.0,,,,0.0
CCOC(=O)C(CC)Sc1nc2n(-c3ccccc3)[nH]cc-2c(=O)n1,CID4196703,,,,,,0.0,,0.0,,,,,,,,0.0,
CCC(C)Sc1nc2n(-c3ccc(C)cc3)[nH]cc-2c(=O)n1,CID4643991,0.0,0.0,,,,,0.0,0.0,,,,,,,,,
CCC(C)Sc1nc2n(-c3ccccc3)[nH]cc-2c(=O)n1,CID4614335,,0.0,,0.0,,,,,,,,,,,,,
CCCSc1nc2n(-c3ccccc3)[nH]cc-2c(=O)n1,CID2152929,,0.0,,0.0,,,0.0,,,0.0,,,,,,,0.0
CCCCSc1nc2n(-c3ccc(Cl)cc3)[nH]cc-2c(=O)n1,CID2153008,0.0,0.0,,0.0,0.0,,,,,,,,,,0.0,,
CCCSc1nc2n(-c3ccc(Cl)cc3)[nH]cc-2c(=O)n1,CID2153007,0.0,0.0,,,,,0.0,,,,,,,,0.0,,0.0
CCOC(=O)C(C)Sc1nc2n(-c3ccc(C)cc3)[nH]cc-2c(=O)n1,CID3241988,,,0.0,0.0,,,,,,,,,,,0.0,,
COC(=O)C(C)Sc1nc2n(-c3ccccc3)[nH]cc-2c(=O)n1,CID4086003,,0.0,0.0,,,,,,,,,,,,,,0.0
CCCSc1nc2n(-c3ccc(C)cc3)[nH]cc-2c(=O)n1,CID2153082,,0.0,,,,,,,,0.0,,,,,,,0.0
CC(C)Sc1nc2n(-c3ccccc3)[nH]cc-2c(=O)n1,CID866943,,0.0,,0.0,,,,0.0,,0.0,0.0,,0.0,,,,0.0
CCCCCSc1nc2n(-c3ccccc3)[nH]cc-2c(=O)n1,CID2152931,0.0,0.0,,,,,0.0,0.0,,,,,,,,1.0,
CCOC(=O)C(C)(C)Sc1nc2n(-c3ccc(C)cc3)[nH]cc-2c(=O)n1,CID2153095,,0.0,0.0,,,,,0.0,0.0,,,,,,0.0,0.0,0.0
COC(=O)C(C)Sc1nc2n(-c3ccc(C)cc3)[nH]cc-2c(=O)n1,CID3240801,,0.0,,,,,,,0.0,,0.0,,,,,0.0,
CCSc1nc2n(-c3ccc(C)cc3)[nH]cc-2c(=O)n1,CID866965,,0.0,,0.0,,,,,,,1.0,,,,,0.0,
CCCSc1nc2n(-c3ccc(F)cc3)[nH]cc-2c(=O)n1,CID2058658,0.0,,,,0.0,,,,,,,,,,,,
CCC(Sc1nc2n(-c3ccc(Cl)cc3)[nH]cc-2c(=O)n1)C(=O)OC,CID3442155,0.0,,,,0.0,,,,,,,,0.0,,,,
CCOC(=O)C(C)(C)Sc1nc2n(-c3ccc(Cl)cc3)[nH]cc-2c(=O)n1,CID2153022,0.0,0.0,,0.0,0.0,,,,,,0.0,0.0,0.0,,,,0.0
CCCCSc1nc2n(-c3ccc(F)cc3)[nH]cc-2c(=O)n1,CID2153157,0.0,0.0,,0.0,0.0,,,0.0,,0.0,,,,,,1.0,
Cc1ccc(-n2[nH]cc3c(=O)ncnc2-3)c(C)c1,CID2049312,,0.0,0.0,0.0,,,,0.0,,,,0.0,0.0,0.0,,0.0,
CCCSc1nc2n(-c3ccc(C)c(C)c3)[nH]cc-2c(=O)n1,CID2153219,0.0,0.0,,,,,,,,,,,0.0,,,,0.0
C=CCSc1nc2n(-c3ccc(C)c(C)c3)[nH]cc-2c(=O)n1,CID2153216,0.0,0.0,,0.0,,,,,,,0.0,,0.0,,0.0,0.0,0.0
Cc1ccc(-n2[nH]cc3c(=O)nc(SC(C)C)nc2-3)cc1,CID866966,0.0,0.0,,,,,0.0,0.0,,0.0,,,,,,,0.0
CCC(C)Sc1nc2n(-c3ccc(C)c(C)c3)[nH]cc-2c(=O)n1,CID4563936,0.0,,,,,,0.0,,,,,,,,,,0.0
CCNc1ccc(C(=O)OCC)cc1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1,CID2326419,,0.0,0.0,,0.0,0.0,,,0.0,,0.0,,0.0,,,,
COc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1,CID1081925,0.0,0.0,,,,0.0,,,0.0,,,0.0,,,,,0.0
O=C(Nc1ccccc1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1,CID1514711,,,,,,,0.0,,,,,,,,,,
COc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl,CID1356335,,,,0.0,,,,,0.0,,,,0.0,,0.0,,
O=C(Nc1ccc(F)c(F)c1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1,CID3241879,,,,,0.0,,,,,,,,,,,,
CCOC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2O)cc1,CID1236843,,,,0.0,0.0,,,,,0.0,,,0.0,,,,
O=C(Nc1ccccc1C(F)(F)F)c1cc(S(=O)(=O)N2CCOCC2)ccc1F,CID3241398,,,,,0.0,,,,,,,,,,,,0.0
O=C(Nc1ccccc1C(=O)O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1,CID1240016,,,0.0,,,,,,0.0,,,,0.0,,,,
O=C(Nc1ccccc1O)c1cccc(S(=O)(=O)N2CCOCC2)c1,CID1087707,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F,CID2599202,,,,,,,,,0.0,,,,0.0,,,,0.0
CCNc1ccc(C(=O)OCC)cc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C,CID2336193,,,,,0.0,,,0.0,,0.0,,,0.0,,0.0,,
COc1ccc(C(=O)Nc2cccc(C)c2)cc1S(=O)(=O)N1CCOCC1,CID1216502,,0.0,,,,,,0.0,,0.0,,,,,,0.0,
Cc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1F,CID3245063,,0.0,,,0.0,,,,0.0,,,,,,,,
COc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1,CID1081943,,,,,,,,,,0.0,0.0,,0.0,0.0,,0.0,
CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1,CID1081942,,,,,,,,,,,0.0,,0.0,,,,
COc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1S(=O)(=O)N1CCOCC1,CID1332587,,,,,,,,,,0.0,,,,,,,
O=C(Nc1ccccc1O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl,CID1087710,,,,0.0,,,,,,,,,,,,,
CN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1C(=O)O,CID2331252,,,0.0,0.0,,,,,,,,,,,,,
CCOC(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F,CID2392189,,,,,,,,0.0,,0.0,0.0,,,,,,
O=C(Nc1ccccc1O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl,CID649929,0.0,,,,,,,,0.0,,,0.0,0.0,,,,
CSc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c1,CID1296603,,,,,,,0.0,,0.0,,,,,0.0,,,
COc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1S(=O)(=O)N1CCOCC1,CID2683354,,,,,,0.0,,,,0.0,0.0,,,,0.0,,
Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)c(C)c1,CID2600150,,,,,,,,,,,,,0.0,0.0,,,0.0
O=C(Nc1ccccc1C(F)(F)F)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1,CID2302278,,,,,0.0,,,,,,,,,,,,0.0
CCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1,CID1081951,,,,,,,,,,0.0,0.0,,0.0,,,0.0,
Cc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F,CID3237062,,,,,,,,,,,,,0.0,,,,0.0
O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1,CID2147095,,,,,0.0,,,,,,,,,0.0,,,
O=C(Nc1cccc(F)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1,CID1379158,,,,,,,,0.0,,,,0.0,,,,,
CCOC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1,CID2956309,,,,0.0,,,0.0,,0.0,,,,,,,,
O=C(O)C1CCCCC1C(=O)Nc1ccc(Cl)cc1,CID294983,,0.0,,0.0,,,,,,0.0,0.0,,,,,0.0,0.0
COc1cccc(NC(=O)C2CCCCC2)c1,CID3146129,,,,,,,,,,0.0,,,,,,,
O=C(O)C1CCCCC1C(=O)Nc1ccccc1Cl,CID2838863,,,,,,,,,,0.0,,,,,,,
O=C(Nc1cc(C(F)(F)F)ccc1F)C1CCCCC1,CID2224325,,,,,,,,,0.0,,,,,,,,
COc1ccc(C)cc1NC(=O)C1CCCCC1C(=O)O,CID2932758,,,,,,,,0.0,,,,,,,,,
COc1ccc(OC)c(NC(=O)C2CCCCC2C(=O)O)c1,CID646723,,,,,,,0.0,0.0,,,,,,,,,
CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)C2CCCCC2)cc1,CID697627,,,,,,,,,,,,,,0.0,,,
O=C(O)C1CCCCC1C(=O)Nc1cccc(Cl)c1Cl,CID2838184,,,,,,,,,,,,0.0,,,,,
CC(C)NS(=O)(=O)c1ccc(NC(=O)C2CCCCC2)cc1,CID934944,,,,,,,,,,,,0.0,,,0.0,,
Cc1c(Cl)cccc1NC(=O)C1CCCCC1,CID795974,,,,,,,,,,,,,,0.0,,,
CCCCC(=O)Nc1cc(OC)c(NC(=O)C2CCCCC2)cc1OC,CID3193302,,,,,,,,,0.0,,,,,,,,
COc1ccccc1NC(=O)C1CCCCC1,CID715581,,,0.0,,,,,0.0,0.0,0.0,0.0,,,,,0.0,
O=C(O)Cc1ccc(NC(=O)C2CCCCC2C(=O)O)cc1,CID2887317,,,,,,,0.0,,,,,,,,,,
O=C(Nc1c(F)c(F)c(F)c(F)c1F)C1CCCCC1,CID2166003,,,,,,,,,0.0,,,,,,,,0.0
CCc1ccc(NC(=O)C2CCCCC2C(=O)O)cc1,CID2856357,,0.0,,,,,0.0,,,0.0,,,,,,,0.0
O=C(O)c1ccc(NC(=O)C2CCCCC2)cc1,CID745733,,,,,,,,,0.0,,,,,,,,
CC(C)c1ccc(NC(=O)C2CCCCC2C(=O)O)cc1,CID2838038,,,0.0,,,,,0.0,,,,,,,,,
COC(=O)c1ccc(NC(=O)C2CCCCC2C(=O)O)cc1,CID2839131,,,,,,0.0,,,,,,,,,,,
O=C(O)C1CCCCC1C(=O)Nc1ccc(Cl)cc1Cl,CID3241970,,0.0,,,,,,,,,,,,,,,
CCCC(=O)Nc1ccccc1NC(=O)C1CCCCC1,CID889331,,,,,0.0,,,,0.0,,,,,,,,
CC(=O)c1cccc(NC(=O)C2CCCCC2)c1,CID673696,,,0.0,,,,,,0.0,0.0,,,,,,0.0,0.0
COC(=O)c1ccccc1NC(=O)C1CCCCC1C(=O)O,CID3236789,,,,,,,,,,,,,,,,,0.0
O=C(O)C1CCCCC1C(=O)Nc1ccccc1F,CID2856339,,0.0,,,,,,0.0,,,,,,,,,
O=C(Nc1ccc(F)cc1)C1CCCCC1,CID531817,,,,,,0.0,,,,,,,,,,,
O=C(O)C1CCCCC1C(=O)Nc1cc(Cl)ccc1Cl,CID2839323,,,,,,,,,,0.0,,,,,,,
CC(=O)Oc1ccc(NC(=O)C2CCCCC2)c(C(=O)O)c1,CID888293,,,0.0,,,,0.0,0.0,,,,,,,,,
O=C(Nc1ccccc1)C1CCCCC1,CID257030,,,,,,,,,0.0,,,,,0.0,,,
CCCCC1CCC(C(=O)Nc2ccccc2)CC1,CID2219569,,,,,,,,,,,0.0,,,,,,
Cc1ccc(F)c(NC(=O)C2CCCCC2C(=O)O)c1,CID2917658,,,0.0,0.0,,,,,,,,,,,,,
C/C(=N\NC(=O)c1cccc(Cl)c1)c1cccc(NC(=O)C(C)C)c1,CID1008999,,,,,,0.0,,,,,,0.0,,,,,
COc1ccc(/C(C)=N/NC(=O)c2ccc(N(C)C)cc2)cc1,CID868148,,,,,,0.0,,,,,,0.0,,,,,
O=C(N/N=C/c1ccccc1Cl)c1ccc(F)cc1,CID773897,,,,,,0.0,,,,,,,,,,,
COCc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OC,CID841342,,,,,,,,,,,,,,0.0,,,
O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cccc(F)c1,CID795163,,,,,,,,,,,,,,0.0,,,
COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1COC(C)=O,CID1004913,,,,,,,,,,,,,,,0.0,,
COc1ccc(/C=N/NC(=O)c2cccc(OC(F)(F)C(F)F)c2)cc1O,CID1008876,,,,,,,,,,,,,,0.0,,,
O=C(O)COc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1,CID1280296,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccc(/C=N/NC(=O)c2cccc(F)c2)cc1,CID795234,,,,,,,,,,,,0.0,,,,,
CCOC(=O)/C(=N\NC(=O)c1ccccc1)c1ccccc1,CID2249740,,,,,,,,,,,,,,,0.0,,
C/C(=N\NC(=O)c1cc(O)c(O)c(O)c1)c1ccc([N+](=O)[O-])cc1,CID4099654,,,,,,,,,,,,,,,0.0,,
CSc1ccc(/C=N/NC(=O)c2cccc(O)c2)cc1,CID841245,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(=O)N/N=C/c2ccc(SC)cc2)cc1,CID772666,,,,,,,,,,,,,,0.0,,,
C/C(=N\NC(=O)c1ccc(Br)cc1)c1ccccc1,CID824418,,,,,,,,,,,,,,,0.0,,
CCCCCCCC(=O)Nc1ccc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1,CID4672947,,,,,,0.0,,,,,,,,,,,
CCC/C(=N\NC(=O)c1ccccc1Cl)c1ccccc1,CID4401555,,,,,,,,,,,,,,,0.0,,
Cc1cccc(/C=N/NC(=O)c2ccc(Br)cc2)c1,CID794378,,,,,,,,,,,,,,,0.0,,
C/C(=N\NC(=O)c1ccc(N(C)C)cc1)c1ccc(C)cc1C,CID840366,,,,,,,,,,,,,,,0.0,,
COc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)c(OC)c1,CID595875,,,,,,,,,,,,,,,0.0,,
C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1,CID761530,,,,,,,,,,,,,,0.0,,,
COc1cc(C(=O)N/N=C/c2ccccc2)c([N+](=O)[O-])c(OC)c1OC,CID1028004,,,,,,,,,,,0.0,,,,,,
O=C(N/N=C/c1ccccc1Cl)c1cccc(F)c1,CID795156,,,,,,0.0,,,,,,,,,,,
O=C(N/N=C/c1ccc(Br)cc1)c1ccc(F)cc1,CID786201,,,,,,,,,,,,,,,0.0,,
C/C(=N\NC(=O)c1ccccc1)c1ccc(C)c([N+](=O)[O-])c1,CID4606744,,,,,,,,,,,,,,,0.0,,
COc1ccc(/C=N/NC(=O)c2cccc(Br)c2)c(OC)c1,CID1122669,,,,,,,,,,,,,,,0.0,,
CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C/c2ccc(OC)c(O)c2)c1,CID2327299,,,,,,,,,,,,,,,0.0,,
C/C(=N\NC(=O)c1ccc(Cl)cc1)c1cccc(NC(=O)C(C)C)c1,CID1014638,,,,,,0.0,,,,,,,,,,,
COc1cccc(/C(C)=N/NC(=O)c2ccc(N(C)C)cc2)c1,CID868098,,,,,,0.0,,,,,,,,,,,
COC(=O)c1ccc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc1,CID958669,,,,,,0.0,,,,,,,,0.0,,,
COc1ccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c(OC)c1,CID1016333,,,,,,0.0,,,,,,,,,,,
CCOc1ccccc1NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1,CID1004354,,,,,,0.0,,,,,,,,,,,
COc1ccc(N(CC(=O)Nc2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1Cl,CID1354444,,,,,,0.0,,,,,,,,,,,
COc1ccccc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(SC)cc1,CID1118151,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(N(CC(=O)Nc2ccccc2OCC)S(=O)(=O)c2ccc(SC)cc2)cc1,CID1016348,,,,,,0.0,,,,,,,,,,,
COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1,CID1259954,,,,,,,,,,,,,,,0.0,,
COc1cccc(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c1,CID2889544,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1,CID1118144,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1OC,CID1050016,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(N(CC(=O)Nc2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(SC)cc2)cc1,CID1016352,,,,,,0.0,,,,,,,,,,,
CSc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)cc2)c2ccc(C)cc2)cc1,CID1359529,,,,,,0.0,,,,,,,,,,,
COC(=O)c1ccc(Cl)c(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)cc2)c1,CID1297421,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1ccc(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1,CID2889888,,,,,,0.0,,,,,,,,,,,
COC(=O)c1cc(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(F)cc2)ccc1Cl,CID1294764,,,,,,,,,,,,0.0,,,,,
CCc1ccccc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(SC)cc1,CID1359644,,,,,,0.0,,,,,,,,,,,
CN(c1cccc(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c1)S(C)(=O)=O,CID1316739,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2CC)c2ccc(C)cc2)cc1,CID1338934,,,,,,0.0,,,,,,,,,,,
COc1ccccc1NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1,CID3109578,,,,,,,,,,,,,,0.0,,,
COc1ccc(N(CC(=O)Nc2cccc(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1,CID1098111,,,,,,0.0,,,,,,,,,,,
COc1ccccc1N(CC(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccccc1,CID1356492,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c(OC)c1,CID1016304,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)cc2)c2ccc(C)cc2)cc1,CID1354487,,,,,,0.0,,,,,,,,,,,
COc1ccc(N(CC(=O)Nc2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1,CID1098035,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1,CID2890595,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1ccccc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1,CID2889564,,,,,,0.0,,,,,,,,,,,
CSc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C(C)=O)c2)c2ccc(C)cc2)cc1,CID1361452,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1,CID1118124,,,,,,0.0,,,,,,,,,,,
COc1ccc(N(CC(=O)Nc2cc(C)ccc2C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1,CID997551,,,,,,,,,,,,,,,0.0,,
COC(=O)c1cc(NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)ccc1Cl,CID1295791,,,,,,,,,,,,0.0,,,0.0,,
O=S(=O)(c1ccc(Cl)cc1)n1cccn1,CID896241,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)n(S(=O)(=O)c2ccc(C(C)(C)C)cc2)n1,CID891839,,,0.0,0.0,,,0.0,,,,,0.0,,0.0,0.0,,1.0
COc1cc(Cl)ccc1S(=O)(=O)n1nc(C)cc1C,CID649074,0.0,0.0,0.0,0.0,,,,,,0.0,,,0.0,0.0,0.0,,
CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)n1ccc(C)n1,CID2239703,,,,,,,,,0.0,0.0,,0.0,0.0,,,,
CCOc1ccc(C)cc1S(=O)(=O)n1ccc(C)n1,CID2235686,,,0.0,0.0,,,,,,,,0.0,,,,,
Cc1ccn(S(=O)(=O)c2ccc(C(C)(C)C)cc2)n1,CID700199,,,,,,,,,,,,,0.0,,0.0,,
Cc1ccc(S(=O)(=O)n2nc(C)c(Br)c2C)c(C)c1C,CID3242673,0.0,,,,,,,,,,,,,,,0.0,0.0
Cc1cc(C)n(S(=O)(=O)c2cc(C(=O)O)c(Cl)cc2Cl)n1,CID892999,,,,,,,,,,,,,0.0,,,,
CC(=O)Nc1ccc(S(=O)(=O)n2nc(C)cc2C)cc1,CID659817,,0.0,,,,,,0.0,,0.0,,0.0,0.0,,,0.0,
Cc1cc(C)n(S(=O)(=O)c2cc(C)c(C)cc2C)n1,CID802097,,,,,,,0.0,,,,,0.0,0.0,,,,0.0
COc1ccc(OC)c(S(=O)(=O)n2nc(C)cc2C)c1,CID685835,,,,,,,,,0.0,,,0.0,,0.0,,,
CCCc1cn(S(=O)(=O)c2ccc(OC)cc2OC)nc1N,CID972408,,0.0,,0.0,0.0,,,,,,,,,0.0,,0.0,
CC(C)(C)C(=O)Oc1cc(N)n(S(=O)(=O)c2ccccc2)n1,CID3243640,,0.0,,,,,,,,,,,0.0,,,0.0,
Cc1cc(C)n(S(=O)(=O)c2cccc(Cl)c2Cl)n1,CID804692,,,,,,,0.0,,,,,,,,,,
CCc1cn(S(=O)(=O)c2ccccc2OC)nc1N,CID972894,,,,,,,,,,0.0,,0.0,,,,,
CCOc1cc(S(=O)(=O)n2nc(C)cc2C)ccc1Br,CID1256879,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)n(S(=O)(=O)c2cc(Cl)ccc2Cl)n1,CID2847848,,,,,,,,,0.0,,,,,,0.0,,
COc1ccc(S(=O)(=O)n2nc(C)cc2C)c(C)c1C,CID977170,,,,,,,,,0.0,,,,,,,,
Cc1ccc(S(=O)(=O)n2nc(OC(=O)C(C)(C)C)cc2N)cc1,CID3242354,,0.0,,0.0,,,0.0,0.0,0.0,,,,,,,,
Cc1cc(C)c(S(=O)(=O)n2nc(C)c(Br)c2C)c(C)c1,CID1292991,,,,,,,,,,,,,,,,0.0,
Cc1cc(C)n(S(=O)(=O)c2ccc(C)c(C)c2C)n1,CID802226,,,,0.0,,,0.0,0.0,,,,0.0,,,,,0.0
CCCOc1cc(C)c(S(=O)(=O)n2ccc(C)n2)cc1C,CID2222386,,,,0.0,,,,,0.0,,,0.0,0.0,0.0,,,0.0
CC(C)(C)C(=O)Oc1cc(N)n(S(=O)(=O)c2ccc(F)cc2)n1,CID3238715,,0.0,0.0,,,,,0.0,,0.0,,,0.0,,,,
COc1ccc(S(=O)(=O)n2ccc(C)n2)cc1C,CID1085563,,,,,,,,,,,,0.0,,,,,
COc1cc(S(=O)(=O)n2ccc(C)n2)c(OC)cc1Cl,CID849980,,,,,,,,,,0.0,,,,,,,
COc1ccc(OC)c(S(=O)(=O)n2cccn2)c1,CID646938,,,,0.0,,,,,,,,,,,,,
CCOc1cc(S(=O)(=O)n2nc(C)cc2C)ccc1F,CID935529,,,,,,,0.0,0.0,,,,0.0,,,,,
CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)n1nc(C)cc1C,CID850121,,,,,,,,,0.0,,,0.0,,0.0,,,
CCOc1ccc(C(C)C)cc1S(=O)(=O)n1nc(C)cc1C,CID850120,,,,,,,0.0,0.0,0.0,,0.0,0.0,,,,,
CCOC(=O)CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(Cl)cc1,CID4462695,0.0,,,0.0,0.0,,,,,,,,,,,,
COC(=O)C(C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cccc(OC)c1,CID4383151,,,,,,,,0.0,,,,0.0,,,,,
CCSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cc(C)ccc1C,CID3245079,,,,0.0,,,,0.0,,,0.0,,,0.0,,,
Cc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SC(C)C)c1,CID4547253,,0.0,,,,,,,,,,,,,,0.0,
COC(=O)C(C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(OC)cc1,CID4152810,,,,,,,,0.0,,,,,0.0,,,,
C=CCSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cc(C)ccc1C,CID3236094,,,,,,,,,,,0.0,0.0,,,,,
CCOc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC)cc1,CID3241147,,0.0,0.0,0.0,,,,,,,,,,,,,
CCOC(=O)C(C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cccc(OC)c1,CID5102678,,0.0,0.0,,,,,,,,,,,,,0.0,
CCOc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)OC)cc1,CID3349315,,,,,,,,0.0,,,,,,,,,
CCSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(F)cc1,CID3544434,,,,0.0,,,,,,,,,,,,,
CCCSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cccc(OC)c1,CID5081526,,,,,,,0.0,0.0,,,,,,,,,
CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cccc(C)c1,CID3239457,,,,0.0,,,,0.0,,0.0,,,,,,,
CCSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(Cl)cc1,CID5052702,0.0,0.0,,0.0,0.0,,,,,,,,0.0,,,,
CCOC(=O)C(C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(OCC)cc1,CID4139196,,,,,0.0,,,0.0,,,0.0,0.0,0.0,,,0.0,
CCOC(=O)C(C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(Cl)cc1,CID3564850,0.0,0.0,,,0.0,,,,,,,,,,,,0.0
CCOC(=O)CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cccc(OC)c1,CID3242958,,0.0,,0.0,,,,0.0,,,,,0.0,,,0.0,
CCOc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SC(C)C(=O)OC)cc1,CID4647861,,0.0,,,,,,,,,,,,,,0.0,
CCC(C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(F)cc1,CID4148196,0.0,,,,0.0,,,0.0,,,,,,,,0.0,
COc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SC(C)C)c1,CID5081527,,,0.0,,,,,,,,,,,0.0,,,
CCC(C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(OC)cc1,CID3378072,,0.0,,,0.0,0.0,,,0.0,0.0,,,,,,,0.0
CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cc(C)ccc1C,CID3236634,,0.0,,0.0,,,,0.0,,0.0,0.0,0.0,0.0,,,,
COC(=O)C(C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cc(C)ccc1C,CID3448460,,0.0,0.0,,0.0,0.0,,,,,0.0,,,,,0.0,
CCCSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cc(C)ccc1C,CID3238031,,0.0,0.0,,,,,0.0,,0.0,0.0,,0.0,,,,
CCSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cccc(C)c1,CID5215535,,0.0,0.0,0.0,,,0.0,,,,0.0,,,,,,0.0
Cc1ccc(C)c(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SC(C)C)c1,CID4557019,,0.0,,,,0.0,,0.0,,,,,,,,0.0,
CCOc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SC(C)C)cc1,CID3238954,,0.0,0.0,,0.0,0.0,,0.0,,,0.0,,,,,,
CCOc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(N)=O)cc1,CID3238095,,,,,,,,,,,0.0,,,,,,
COC(=O)C(C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(Cl)cc1,CID4459896,0.0,,,,0.0,,,,,,,,,0.0,,,
COC(=O)CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cccc(OC)c1,CID3239600,,,,,,,,0.0,,,,,0.0,,,,
C=CCc1cccc(CNc2nc3ccccc3n2C(C)C)c1O,CID661833,,,0.0,,,,,,,,,,,,,,
C=CCn1c(NCc2ccccc2)nc2ccccc21,CID655776,,,,0.0,,,0.0,0.0,,,,,,,,,
CC(C)n1c(NCc2cc(Cl)ccc2O)nc2ccccc21,CID929923,0.0,,,,,,,,,,,0.0,,,,0.0,0.0
C=CCn1c(NC(C)c2cc(Cl)ccc2O)nc2ccccc21,CID2947885,0.0,,,,,,,,,,,,,,,,0.0
C=CCc1cccc(CNc2nc3ccccc3n2CC)c1O,CID647608,,,0.0,,,,,,,0.0,,,0.0,,,0.0,
C=CCn1c(NCc2cc(C)ccc2O)nc2ccccc21,CID889093,,,,,,0.0,,,,,,,0.0,0.0,,,
CCN(CC)CCn1c(NCc2cccc(OC)c2OC)nc2ccccc21,CID1090109,,,,,,,,,0.0,0.0,,,,,,,
CCN(CC)CCn1c(NCc2ccc(OC)cc2)nc2ccccc21,CID1090106,,0.0,0.0,,,,0.0,,0.0,,,,,,,,
c1ccc(CNc2nc3ccccc3[nH]2)cc1,CID563446,,,,,,,0.0,,,,,0.0,0.0,,,0.0,0.0
CCCn1c(NCc2cc(OC)ccc2OC)nc2ccccc21,CID662968,0.0,,,,,0.0,,,,,,0.0,,,,0.0,
CCn1c(NCc2cc(OC)ccc2OC)nc2ccccc21,CID645176,0.0,0.0,0.0,0.0,0.0,0.0,,,,,,,,,,0.0,
C=CCc1cccc(CNc2nc3ccccc3n2CCC)c1O,CID889692,,,0.0,,,,,0.0,,,,0.0,,,,0.0,
Cn1c(NCc2ccc(Cl)cc2)nc2ccccc21,CID936788,,,,,,,,,,,,,,,0.0,,
CCCn1c(NCc2cccc(OC)c2OC)nc2ccccc21,CID647272,,,0.0,,,,,0.0,,,,,,,,,
CCn1c(NCc2ccc(N(C)C)cc2)nc2ccccc21,CID652427,,,,,,,,,,,,,,,,,0.0
CCCn1c(NCc2cccc(OC)c2O)nc2ccccc21,CID787430,,,,,,,0.0,,,,,0.0,0.0,,,0.0,
Cn1c(NCc2ccccc2Cl)nc2ccccc21,CID936609,,0.0,,,,,0.0,,,,,,,,,0.0,
CCCn1c(NCc2ccc(N(C)C)cc2)nc2ccccc21,CID3324798,,0.0,,,,0.0,,0.0,,,,,,,,0.0,
Cc1ccc(O)c(CNc2nc3ccccc3n2C)c1,CID787406,,,,,,0.0,,,,,,0.0,,,,,
CCn1c(NCc2cccc(OC)c2OC)nc2ccccc21,CID936324,0.0,,,,,,,0.0,,,,0.0,,,,0.0,
Cc1ccc2nc(NCc3ccccc3)[nH]c2c1,CID665867,,,,0.0,,,,0.0,,,0.0,,,,,,
Cn1c(NCc2cc(Br)ccc2O)nc2ccccc21,CID715151,,,,,,,0.0,,0.0,,,0.0,,,,0.0,0.0
Cn1c(NCc2cccc(Br)c2)nc2ccccc21,CID934050,0.0,,,,,,,,0.0,,,,,,0.0,,0.0
CCCCn1c(NCc2ccccc2O)nc2ccccc21,CID2901315,,,,,,,,0.0,,,,,,,,0.0,
Cn1c(NCc2ccccc2O)nc2ccccc21,CID715137,,,,,,,0.0,,,,,,,,,0.0,
CC(C)n1c(NCc2ccc(N(C)C)cc2)nc2ccccc21,CID975633,0.0,,,0.0,,,,,,,,,,,,0.0,
C=CCn1c(NCc2ccc(N(C)C)cc2)nc2ccccc21,CID937593,,,0.0,,,,,,,,0.0,,,,,0.0,
COc1ccc2nc(NCc3ccccc3)[nH]c2c1,CID666751,0.0,,,0.0,,,0.0,,,,,0.0,,,,,
CCCn1c(NCc2cc(C)ccc2O)nc2ccccc21,CID715143,,,,,,,,0.0,,,0.0,,,,,0.0,
CNC(=O)c1csc(-c2ccc(Cl)cc2)n1,CID1486898,,,,,,,,,,,,,,0.0,,,
CCS(=O)(=O)NCc1csc(-c2ccccc2)n1,CID5310004,,,,,,,,,,,,,,0.0,0.0,,
CNC(=O)c1sc(-c2ccc(Cl)cc2)nc1C,CID1483667,,,,,,,,,,0.0,,0.0,,,,,
CNC(=O)c1csc(-c2ccc(C)cc2)n1,CID3792843,,,,,,0.0,,,,,,,,,,,
COc1cccc(-c2nc(C=O)cs2)c1,CID2117534,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(-c2nc(CC(=O)O)cs2)cc1OC,CID2079386,,,,,,,,,0.0,,,0.0,,0.0,,,
CCNC(=O)c1sc(-c2ccccc2)nc1C,CID650141,,,,,0.0,0.0,,0.0,,,,,0.0,,0.0,,
Cc1nc(-c2ccccc2)sc1C(N)=O,CID737887,,0.0,,0.0,0.0,,,0.0,,,,,0.0,,,,
COc1ccc(-c2nc(CC(=O)O)cs2)cc1,CID738083,,,,,,,,,0.0,0.0,,0.0,,0.0,,,
CC(=O)NCCc1csc(-c2ccccc2)n1,CID3244200,,0.0,,,0.0,,0.0,,,,0.0,,,0.0,,,
CCNC(=O)O/N=C(\C)c1sc(-c2ccccc2)nc1C,CID2767985,,,,,,,,,,,,,,,0.0,,
C/C(=N\OC(=O)NC(C)C)c1sc(-c2ccccc2)nc1C,CID2767984,,,,,,0.0,,,,,,,,,,,
CS(=O)(=O)NCc1csc(-c2ccccc2)n1,CID3242939,0.0,,,,,0.0,,,,,,,,,,0.0,
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)O,CID2768679,,,,,,,,,,,,,,,0.0,,
O=C(O)Cc1csc(-c2ccccc2)n1,CID701757,,,,,,,,,,,,,,,0.0,,
C=CCNC(=O)c1csc(-c2ccccc2)n1,CID2768692,,,,,,0.0,,,,,,,,,,,
COc1cccc(-c2nc(CC(=O)O)cs2)c1OC,CID2526747,0.0,,,,,,0.0,,0.0,,,,,0.0,0.0,,
Cc1nc(-c2ccc([N+](=O)[O-])cc2)sc1C(=O)O,CID1473788,,,,,,,,,,,,,,,0.0,,
C/C(=N\O)c1sc(-c2ccccc2)nc1C,CID2767947,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1csc(-c2ccc(OC)c(OC)c2)n1,CID2763629,,,,,,,,,,,,,,0.0,,,
CC(=O)c1sc(-c2ccccc2Cl)nc1C,CID1477645,,,,,,,,,,,,,,0.0,,,
CCS(=O)(=O)NCCc1csc(-c2ccccc2)n1,CID3238598,,0.0,0.0,,0.0,,,,0.0,0.0,0.0,0.0,,,,0.0,
CC(=O)c1cnc(-c2ccccc2)s1,CID608996,,,,,,,,,,,,,,,0.0,,
CC(=O)c1cnc(-c2ccccc2Cl)s1,CID1477653,,,,,,,,,,,,,,0.0,,,
CC(=O)c1csc(-c2ccccc2)n1,CID604819,,,,,,,,,,,,,,,0.0,,
O=C(O)c1csc(-c2ccc(Cl)cc2)n1,CID673682,,,,,,,,,,,,,,0.0,0.0,,
CCNC(=O)O/N=C(\C)c1sc(-c2ccc(Cl)cc2)nc1C,CID3782726,,,,,,0.0,,,,,,0.0,,,,,
CNC(=O)c1csc(-c2ccccc2)n1,CID1486910,,,,,,,,,,,,0.0,,,0.0,,
COC(=O)c1ccc(-c2nc(O)c(C)s2)cc1,CID1474031,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)/C=C/Nc2ccc([N+](=O)[O-])cc2C)c(OC)c1,CID5862746,,,,,,,,,,,,,,0.0,,,
COc1ccc(N/C(C)=C/C(=O)c2ccccc2)cc1,CID5734232,,,,,,,,,,,,,,,0.0,,
COC(=O)c1ccccc1N/C=C/C(=O)c1ccc(Br)cc1,CID2277195,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1ccc(N/C=C/C(=O)c2ccc(OC)c(OC)c2)cc1,CID1927302,,,,,,,,,,,,,,,0.0,,
COC(=O)/C(=C\C(=O)c1ccccc1)Nc1cccc(C(F)(F)F)c1,CID6051800,,,,,,,,,,,,0.0,,,,,
Cc1ccc(C(=O)/C=C/Nc2ccccc2C(N)=O)cc1,CID2185938,,,,,,,,,,0.0,,,,,,,
NC(=O)c1ccccc1N/C=C/C(=O)c1ccc(F)cc1,CID2187768,,,,,,,,,,,0.0,,,,,,
COc1ccc(N/C(C)=C/C(=O)c2ccc(F)cc2)cc1,CID5347990,,,,,,0.0,,,,,,,,,,,
COC(=O)c1ccc(N/C=C/C(=O)c2ccc(OC)c(OC)c2)cc1,CID2173675,,,,,,0.0,,,,,,,,,0.0,,
C/C(=C\C(=O)c1ccc(C)cc1)Nc1cccc(O)c1,CID799014,,,0.0,,,0.0,,,,,,0.0,,,0.0,0.0,
NC(=O)c1ccccc1N/C=C/C(=O)c1ccccc1,CID2188061,0.0,,,0.0,,,0.0,0.0,,0.0,,0.0,,,,,
Cc1ccc(N/C=C/C(=O)c2ccccc2)cc1C,CID2290919,,,,,,,,,,,,,,,0.0,,
Cc1ccc(N/C=C/C(=O)c2ccc(C)cc2)cc1,CID2267437,,,,,,0.0,,,0.0,,0.0,,,,,,
NC(=O)c1ccccc1N/C=C/C(=O)c1ccc(Cl)cc1,CID2186728,,,,,,,,,,0.0,,,,0.0,,,
Cc1ccc(C(=O)/C=C/Nc2ccc([N+](=O)[O-])cc2Br)cc1,CID5916178,,,,,,,,,,,,,,0.0,,,
C/C(=C\C(=O)c1ccccc1)Nc1cccc(O)c1,CID5310695,,,,0.0,,0.0,,,,,,,,,,,
O=C(/C=C/Nc1ccc(F)cc1Br)c1ccccc1,CID2252810,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)/C=C/Nc2cccc(O)c2)cc1,CID2291052,,,,,,,,,,0.0,0.0,,,0.0,,,
CCOC(=O)c1cccc(N/C=C/C(=O)c2ccc(OC)c(OC)c2)c1,CID2287929,,,,,,,,,,,,,,,0.0,,
CN(C)c1ccc(N/C=C/C(=O)c2ccccc2)cc1,CID2188632,,,,,0.0,,0.0,,,0.0,,,0.0,,,,
CCOc1ccc(N/C=C/C(=O)c2ccc(C)cc2)c([N+](=O)[O-])c1,CID5802504,,,,,,0.0,,,,,,,,,,,
COc1cccc(C(=O)/C=C/Nc2cc(C)ccc2O)c1,CID2186107,0.0,0.0,0.0,0.0,0.0,,,,,,0.0,0.0,,,,,
O=C(/C=C/Nc1ccc(F)cc1)c1ccc(Br)cc1,CID2277433,,,,,,,,,,,,,,0.0,0.0,,
CCOC(=O)c1ccc(N/C=C/C(=O)c2ccc(OC)cc2)cc1,CID2248752,,,,,,0.0,,,,,,,,,,,
COc1cccc(C(=O)/C=C/Nc2cccc(O)c2)c1,CID2179534,,,,,,,,,,,0.0,0.0,,,,,
CN(C)c1ccc(N/C=C/C(=O)c2ccc(F)cc2)cc1,CID2190927,,,,0.0,,,,0.0,,,,,,,,,
Cc1ccc(C(=O)/C=C/Nc2cccc(O)c2)cc1,CID1922403,,,,0.0,,,,,,,,,,,,,0.0
COc1ccc(C(=O)/C=C(\C)Nc2ccc(NC(C)=O)cc2)cc1,CID5728815,,,,,,0.0,,,,,,0.0,,,,,
O=C(/C=C/Nc1cccc(O)c1)c1ccccc1,CID2255407,,,,0.0,,,,,,0.0,0.0,,,,,,
COc1cc(C)nc(NS(=O)(=O)c2ccc(C)cc2)n1,CID649460,,0.0,,0.0,,,,,,,,,,,,0.0,0.0
COC(=O)CN(c1nc(C)c(Br)c(OC)n1)S(=O)(=O)c1ccc(C)cc1,CID658393,,,,,,,0.0,,0.0,,,,,,,,0.0
CCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1,CID659982,,0.0,0.0,,,,,,,,,,,,,0.0,0.0
CCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1,CID1562733,,,,,,,,,,,,,,,0.0,,
COC(=O)CN(c1nc(C)c(Cl)c(OC)n1)S(=O)(=O)c1ccc(C)cc1,CID658043,0.0,,,,,,,,0.0,,,,,,,,
COc1cc(C)nc(N(C)S(=O)(=O)c2ccccc2Cl)n1,CID658041,0.0,0.0,0.0,,0.0,,,,,0.0,,,,,0.0,,
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)CC(C)C)cc2)n1,CID1791766,,,,,,,,,,0.0,,,,,,,
CCOC(=O)C(NC(=O)CC)(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)C(F)(F)F,CID384762,0.0,,,,0.0,,,,,0.0,,,,,,,
CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1,CID64952,,0.0,,0.0,,,,,,,,,,,,,0.0
Cc1cc(C)nc(N(C#N)S(=O)(=O)c2ccccc2Cl)n1,CID658851,,0.0,,,0.0,,,,,,,,,,,,0.0
COC(=O)CN(c1nc(C)cc(OC)n1)S(=O)(=O)c1ccc(C)cc1,CID646183,,,,0.0,,0.0,,,,,,,,,,,0.0
Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1,CID5325,,,,,,,,,,0.0,,0.0,,,,,
Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1,CID5327,,0.0,,0.0,,,,0.0,,0.0,,,,,,0.0,
CCOC(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1,CID898494,,,,0.0,,,,,,,,0.0,,,,0.0,0.0
CCCC(=O)NC(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)(C(=O)OCC)C(F)(F)F,CID3237025,0.0,,,,0.0,,0.0,,,,,,,,,,
Cc1cc(C)nc(N(C#N)S(=O)(=O)c2ccc(Br)cc2)n1,CID1319658,,,,,,,,,0.0,,,,,,,,
COc1nc(NS(=O)(=O)c2ccc(C)cc2)nc(C)c1Cl,CID658027,0.0,,0.0,0.0,0.0,,,,,,,,,,,,0.0
COc1nc(N(C)S(=O)(=O)c2ccc(C)cc2)nc(C)c1Cl,CID658146,0.0,,,,0.0,,,,,0.0,,,,,,,0.0
COC(=O)CN(c1nc(C)cc(OC)n1)S(=O)(=O)c1ccccc1,CID657955,,,,0.0,,,,,,,,0.0,,,,,0.0
Cc1ccnc(NS(=O)(=O)c2ccccc2)n1,CID2218567,,,,,,,,,,,,,0.0,,,,
Cc1ccc(S(=O)(=O)N(C#N)c2nc(C)cc(C)n2)cc1,CID701458,,,,,,,,,,0.0,,,,,,,
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C(C)(C)C)cc2)n1,CID2240843,,,,,,,,,,0.0,,,,,,,
Cc1ccc(S(=O)(=O)Nc2nc(C)cc(NCCN)n2)cc1,CID1951892,,,,,,,,,,0.0,,,,,,,
Cc1cc(NN)nc(NS(=O)(=O)c2ccccc2Cl)n1,CID778521,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)nc(NS(=O)(=O)c2ccc(Br)cc2)n1,CID717552,,,,,,,,,,,,,,,,0.0,0.0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C(C)C)cc2)n1,CID1792467,,,,,,,,,,0.0,,,,,,,
COc1cc(C)nc(NS(=O)(=O)c2ccccc2)n1,CID778472,,0.0,,0.0,,,,,,,,,,0.0,,,
CCCN(c1nc(C)cc(OC)n1)S(=O)(=O)c1ccccc1,CID3245110,,0.0,,,,,,0.0,0.0,0.0,,,,,,,
Cc1cc(C)nc(N(C#N)S(=O)(=O)c2ccccc2)n1,CID647569,,0.0,,0.0,,,,,,0.0,,0.0,,,,0.0,
COc1ccc(Br)cc1S(=O)(=O)n1ccnc1C,CID775774,,,,,,,0.0,,0.0,,,,,,,0.0,
COc1ccc(C(C)C)cc1S(=O)(=O)n1cnc(C)c1,CID850118,,,,,,,,,0.0,,,0.0,,,,,
CCOc1ccc(C(C)C)cc1S(=O)(=O)n1ccnc1C,CID935161,,,,,,,,,,,,,,0.0,0.0,,
Cc1cn(S(=O)(=O)c2ccc(Br)cc2)cn1,CID872533,,,,,,,,,0.0,,,,,,,,
COc1cc(C)c(Cl)cc1S(=O)(=O)n1cnc(C)c1,CID850094,,,,,,,,,,0.0,,,,,,,
COc1cc(C)c(Cl)cc1S(=O)(=O)n1ccnc1C,CID850091,,,,,,,,,,,,,,,0.0,,
CC(=O)Nc1ccc(S(=O)(=O)n2cnc(C)c2)cc1,CID651514,,,,0.0,,,,0.0,,,,0.0,,,,,
CCc1nccn1S(=O)(=O)c1cc(C)c(OC)cc1C,CID795461,,,,,,,,,,,0.0,0.0,,,,,
COc1ccc(Br)cc1S(=O)(=O)n1ccnc1,CID775768,,,,,,,,,,,,,,0.0,,,
CCc1nccn1S(=O)(=O)c1cc(Br)ccc1OC,CID699054,,,,,,,,,0.0,,,,,0.0,,,
CCc1nccn1S(=O)(=O)c1ccc(C)c(C)c1,CID645505,,,,0.0,0.0,,,,,,,0.0,0.0,,0.0,,0.0
CCc1nc(C)cn1S(=O)(=O)c1cc(Br)ccc1OC,CID1125097,0.0,,,,,,,,0.0,,,,,,,0.0,0.0
CCOc1cc(S(=O)(=O)n2cnc(C)c2)ccc1Cl,CID1094937,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)n2ccnc2)cc1C,CID794420,,,,,,0.0,,,,0.0,,,0.0,,,,
CCc1nc(C)cn1S(=O)(=O)c1cc(Br)c(C)cc1OC,CID1259448,0.0,,,,,,,,0.0,,0.0,0.0,,,,0.0,
COc1cc(C)c(C(C)C)cc1S(=O)(=O)n1cnc(C)c1,CID801592,,,0.0,,,,0.0,,0.0,,,,,,,,0.0
CC(C)c1nccn1S(=O)(=O)c1cc(Cl)ccc1Cl,CID794380,,0.0,,,,,,,,,,,,,,,
CCOc1cc(S(=O)(=O)n2ccnc2)ccc1Br,CID1258618,,,,,,,,,,,,,,0.0,,,
COc1ccc(OC)c(S(=O)(=O)n2ccnc2C)c1,CID742882,,,,,,,,,0.0,,,,,,,,
CCc1nc(C)cn1S(=O)(=O)c1cc(OC)c(C)cc1C,CID644596,0.0,0.0,,,0.0,,0.0,0.0,,,,0.0,,0.0,,,
CCOc1ccc(C)cc1S(=O)(=O)n1ccnc1,CID1257840,,,,,,,,,,,,0.0,,,,,0.0
CCc1nc(C)cn1S(=O)(=O)c1cc(C)c(OC)cc1C,CID802038,0.0,0.0,,0.0,0.0,0.0,0.0,,,,,,,0.0,,,0.0
Cc1cn(S(=O)(=O)c2ccc(Cl)cc2)c(C)n1,CID700899,,,,,,,,,,,,,,0.0,,,
COc1cc(S(=O)(=O)n2ccnc2)ccc1Br,CID7025619,,,,,,,,,,,,,,,0.0,,
COc1ccc(Cl)cc1S(=O)(=O)n1ccnc1C(C)C,CID786051,,0.0,,0.0,0.0,0.0,,,,0.0,,,0.0,,,,0.0
CCc1nc(C)cn1S(=O)(=O)c1cc(C)c(OC)c(C)c1C,CID1257997,,,,,,0.0,,,,,,,,,,,
COc1cc(C)c(C(C)C)cc1S(=O)(=O)n1ccnc1,CID839489,,,,,,,,,0.0,,,0.0,,,0.0,,
CCc1nccn1S(=O)(=O)c1ccc(OC)c(OC)c1,CID794372,,,0.0,0.0,0.0,0.0,,0.0,,,,,,,,,
CCC(=O)Nc1cc(C(=O)O)ccc1Sc1ccccc1,CID6618929,,,,,,,,,,,,,,,0.0,,
O=C(O)CNC(=O)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1,CID2564867,,,,,,,,,,,,,,0.0,0.0,,
CO/N=C/c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1,CID2766496,,,,,,,,,,0.0,,,,,,,
CCC(CC)C(=O)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1,CID973308,,,,,,0.0,,,,,,,,,,,
CCC(=O)Nc1cc(C(=O)O)ccc1Sc1ccc(Cl)cc1,CID4166432,,,,,,,,,,,,,,0.0,,,
C=CCNC(=O)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1,CID2767724,,,,,,,,,,,,0.0,,0.0,,,
Cc1ccc(Sc2ccc(/C=N/O)cc2[N+](=O)[O-])cc1,CID2302252,,,,,,,,,,,,,,,0.0,,
CNC(=O)c1ccccc1Sc1ccccc1C#N,CID3767281,,,,,,,,,,,,,,0.0,,,
O=C(O)CCCC(=O)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1,CID2278506,,,,,,0.0,,,,,,0.0,,,,,
COC(=O)c1ccc(Sc2ccc(Cl)cc2)c(N)c1,CID4547303,,,,,,,,,,,0.0,,,,0.0,,
COC(=O)c1ccc(Sc2ccc(C)cc2)c(N)c1,CID3238178,,,,,,0.0,,,,,,,0.0,,,,
CC(C)NC(=O)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1,CID1475016,,,,,,,,,,,,,,0.0,,,
COc1cccc(Sc2ccccc2/C=N/NC(N)=O)c1,CID826383,,,,,,,,,,,,,,,0.0,,
CC(C)CC(=O)OCC(=O)Nc1ccccc1Sc1ccccc1,CID2362600,,,,,,,,,,,,,,0.0,,,
Nc1ccc(Sc2ccccc2[N+](=O)[O-])cc1,CID2245366,,,,,,0.0,,,,,,,,,,,
CN(C)C(=O)COC(=O)c1ccccc1Sc1ccccc1C#N,CID2469084,,,,,,,,,,,,,,0.0,,,
COc1cc(Sc2ccccc2[N+](=O)[O-])ccc1N,CID877482,,,,,,0.0,,,,,,,,,,,
CC(=O)Nc1ccccc1Sc1ccccc1,CID365383,,0.0,,,0.0,,,0.0,,0.0,,,,,,,
C=CCNC(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1,CID2767718,,,,,,0.0,,,,,,0.0,,0.0,,,
Cc1ccc(Sc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])cc1,CID1475006,,,,,,,,,,,,,,0.0,,,
CCCC(=O)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1,CID976530,,,,,,,,,,,,,,0.0,,,
CN(C)C(=O)c1ccccc1Sc1ccc(Cl)cc1Cl,CID826729,,,,,,,,,,,,,,,0.0,,
Nc1ccc(Sc2ccccc2CC(=O)O)cc1,CID827122,,,,,,,,,,,,0.0,,,,,
COC(=O)c1ccc(O)c(Sc2cc(C(=O)OC)ccc2O)c1,CID2197182,,,0.0,,,,,0.0,,,,,0.0,,0.0,,
N#Cc1cc(N)ccc1Sc1ccccc1,CID1471779,,,,,,0.0,,,,,,,,,,,
O=C(O)CCC(=O)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1,CID775556,,,,,,,,,,,,,,,0.0,,
Cc1ccc(O)c(Sc2cc(C)ccc2O)c1,CID520428,,,,,0.0,,0.0,0.0,,0.0,,,,,,,
Cc1ccc(Sc2ccc(NC(=O)CCl)cc2)cc1C,CID2446553,,,,,,,,,,,,,,0.0,,,
COc1cc(C(=O)Oc2cc(C)cc(C)c2)cc(OC)c1OC,CID697152,,,,,,,,,0.0,,,,,,,,
CCOC(=O)Nc1ccc(C(=O)Oc2ccccc2)c(O)c1,CID717668,0.0,,0.0,,0.0,,0.0,,,,,,,,,0.0,
COc1ccc(C(C)=O)c(OC(=O)c2ccc(OC)c(OC)c2)c1,CID889085,,,,,,,,,0.0,,,,,,0.0,,
CCOc1cc(/C=N/NC(N)=O)ccc1OC(=O)c1ccc(C)cc1,CID900202,,,,,,,,,,,,,,,0.0,,
COC(=O)c1ccc(OC(=O)c2ccc(OC)c(OC)c2)c(OC)c1,CID665936,,,,,,,,,,0.0,,,,,0.0,,0.0
CS(=O)(=O)c1cccc(C(=O)Oc2ccccc2)c1,CID2668356,,0.0,,,,0.0,,,0.0,,,0.0,0.0,,,,
CN(C)S(=O)(=O)c1ccc(C(=O)Oc2ccccc2)cc1,CID1262705,,,0.0,,,,0.0,0.0,0.0,,,0.0,,,,0.0,0.0
COc1ccc(C(=O)Oc2ccc(C(C)=O)cc2)c(OC)c1,CID2997912,,,,,,,,,0.0,,0.0,,,,,0.0,
CN(C)C(=O)Oc1ccc(OC(=O)c2ccccc2)cc1,CID973781,,,,,,,,,0.0,,,,,0.0,,0.0,
CC(=O)Nc1ccc(OC(=O)c2ccccc2N)cc1,CID872399,0.0,,,0.0,0.0,,,,,0.0,,,,,,,
COC(=O)c1ccc(OC(=O)c2ccc(OC)cc2)c(OC)c1,CID1228499,,,,,,,,,,,,,,0.0,,,
CC(=O)Nc1ccc(OC(=O)c2ccc(Cl)cc2)cc1,CID586902,,,,,,,,,,,,,,0.0,,,
COc1cc(C=O)ccc1OC(=O)c1ccc(C(C)C)cc1,CID1250650,,,,,,,,,,,,,,0.0,,,
Cc1cccc(C(=O)Oc2ccc(/C=N/O)cc2)c1,CID807883,,,,,,,,,0.0,,,,,0.0,,,
COc1ccc(C(=O)Oc2cccc(/C=N/NC(N)=S)c2)cc1,CID958120,,,,,,,,,,,,,,0.0,,,
COc1cc(C(=O)Oc2ccccc2N)cc(OC)c1OC,CID1355632,,0.0,,0.0,0.0,,,0.0,,,0.0,,,,,,
CC(=O)Nc1cccc(C(=O)Oc2cccc(C)c2)c1O,CID686822,0.0,,0.0,,0.0,,,,,,,,,,,0.0,0.0
O=C(Oc1ccc(/C=N/O)cc1)c1ccccc1,CID880956,,0.0,,0.0,,0.0,,,0.0,,,0.0,0.0,,,,
CCN(CC)S(=O)(=O)c1cc(C(=O)Oc2ccccc2OC)ccc1OC,CID1079067,,,,,,,,0.0,0.0,,,,,0.0,,0.0,
COc1ccccc1OC(=O)c1ccc(SC)cc1OC,CID2397705,,,,,,,0.0,,,0.0,,,,,,0.0,
CCOC(=O)/C(=C/c1ccc(OC(=O)c2ccccc2)cc1)C(C)=O,CID2315851,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)Oc2ccc(/C=N/O)cc2)cc1,CID880961,,,0.0,,,,0.0,,0.0,,,,,,,0.0,
COc1cc(C(=O)Oc2cccc(C=O)c2)cc(OC)c1OC,CID2833207,,,,,,,,,0.0,,,,,,0.0,,
COc1ccc(/C=N/NC(N)=S)cc1OC(=O)c1ccccc1,CID900236,,,,,,,,,,,,,,0.0,,,
COc1cc(C(=O)Oc2cccc(C)c2)cc(OC)c1OC,CID730141,,,,,,,,,0.0,,0.0,,,,,,
COc1ccccc1C(=O)Oc1ccc(C(C)C)cc1,CID723927,,,,,,0.0,,,0.0,,0.0,,,,,,
C=CCc1ccc(OC(=O)c2ccccc2)c(OC)c1,CID62362,,,,,,,,,,,,,,0.0,,,
COc1ccccc1OC(=O)c1ccc(S(=O)(=O)N(C)C)cc1,CID2394821,,,,,,,,,0.0,0.0,,0.0,,,0.0,,
COCCCNC(=O)c1c(-c2ccccc2)noc1C,CID645016,,,,,,0.0,,,,0.0,,,,,,,
Cc1onc(-c2ccccc2)c1C(=O)NC(C)C,CID829037,,,0.0,,0.0,,0.0,0.0,0.0,0.0,0.0,,,,,,
COC(=O)c1onc(-c2c(C)cc(C)cc2C)c1C(=O)OC,CID849719,,,,,,,,,,,,,,0.0,0.0,,
CCOc1cc(-c2noc(N)c2C(=O)OC)cc(OCC)c1OCC,CID3242551,0.0,,,,,0.0,,,0.0,,0.0,,,,,,
COC(=O)CNC(=O)c1c(-c2ccccc2Cl)noc1C,CID651066,,,0.0,0.0,,,,,,,,,,0.0,,0.0,0.0
CCCCOCCCNC(=O)c1c(-c2ccccc2)noc1C,CID645764,,,,,0.0,,,,0.0,,,,,,,,0.0
COc1c(Cl)cc(-c2noc(C)c2C(=O)NC(C)C)cc1Cl,CID3540827,0.0,0.0,0.0,,,,,,,,,,,,,,
Cc1onc(-c2c(Cl)cccc2Cl)c1C(N)=S,CID2781710,,,,,,,,,,,,,,,0.0,,
COc1ccc(-c2cc(CNC(C)=O)on2)cc1,CID1480804,,,,,,0.0,,,,,,,,,,,
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC(C)(C)CO,CID700610,,,,0.0,,,,,,,,,0.0,,,,0.0
Cc1onc(-c2ccccc2Cl)c1C(N)=O,CID653647,,,,0.0,,,,,,0.0,,,,,,,0.0
COC(=O)c1c(-c2ccc(F)cc2)noc1N,CID3243644,,,,,,,,,0.0,,,,,,,,0.0
Cc1onc(-c2ccccc2)c1C(N)=O,CID644844,,0.0,,0.0,,,,,,,,,,,,,
COC(=O)c1c(-c2ccccc2)noc1C,CID727920,,,,,,,,,,,,,,0.0,,,
COc1cccc(-c2noc(N)c2C#N)c1,CID3237009,,0.0,,,,,,,0.0,,0.0,,0.0,,,,
CC(C)C(=O)NCc1cc(-c2ccc(Cl)cc2)no1,CID1484363,,,,,,,,,,,,,,0.0,,,
COC(=O)c1c(-c2ccc(Br)cc2)noc1N,CID6622450,,,,,,,,,,,0.0,,,,0.0,,
Cc1ccccc1-c1noc(N)c1C#N,CID3236239,,,,0.0,,,0.0,,,,,0.0,,,,,
Cc1onc(-c2ccccc2Cl)c1C(=O)NCC(=O)O,CID426788,,,0.0,0.0,,,,,,0.0,,,,,,,0.0
CCC(C)NC(=O)c1c(-c2cc(Cl)c(OC)c(Cl)c2)noc1C,CID3335209,0.0,,,,,,,,,0.0,,,,,,,
COc1ccc(-c2cc(CNC(=O)CCl)on2)cc1,CID1477199,,,,,,0.0,,,,,,,,,0.0,,
Cc1onc(-c2c(Cl)cccc2Cl)c1C(N)=O,CID728478,,0.0,,,,,,,,,,,0.0,,,,
COC(=O)c1onc(-c2c(OC)cc(OC)cc2OC)c1C(=O)OC,CID374543,,,,,,,,,,,,,,,0.0,,
CCN(CC)CC(=O)NCc1cc(-c2ccc(OC)cc2)no1,CID1480148,,,,,,0.0,,,,,,,,,,,
COC(=O)c1onc(-c2ccccc2)c1C(=O)OC,CID608690,,,,,,,,,,,,,,0.0,,,
CCOCCCNC(=O)c1c(-c2ccccc2)noc1C,CID653179,,0.0,0.0,,0.0,,,0.0,0.0,,,,,,,,
CC(=O)NCc1cc(-c2ccc(Cl)cc2)no1,CID1484414,,,,,,,,,,,,,,0.0,,,
N#Cc1c(-c2ccc(F)cc2)noc1N,CID6618851,,,,,,,,,,,,0.0,,,,,
CN(c1cccc(NS(=O)(=O)c2cccs2)c1)S(C)(=O)=O,CID970267,,,,,0.0,,,,0.0,,0.0,,0.0,,,,
NC(=O)c1ccccc1NS(=O)(=O)c1cccs1,CID769135,,,,,,,,,,0.0,0.0,,0.0,,,,
COCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)s1,CID2210754,,,,,,,,,0.0,,,,,,,,
COC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1C,CID970871,,,,0.0,0.0,,,,0.0,,,,0.0,,,,0.0
COc1cc(NS(=O)(=O)c2ccc(Br)s2)cc(OC)c1,CID3237197,,,,,,,,,0.0,,,,,,,,
COc1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1OC,CID1296567,,,,,,,,,0.0,,,,,0.0,,,
COc1ccc(OC)c(NS(=O)(=O)c2cccs2)c1,CID652593,,,0.0,,0.0,,,,0.0,0.0,,,,,,,
Cc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1ccc(Cl)s1,CID3309683,,,,,,,,,,,,,,,0.0,,
CCNC(=O)CN(c1ccccc1OC)S(=O)(=O)c1cccs1,CID2458389,,,,,,,,,,,,,,,0.0,,
NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1,CID2053788,,,,,0.0,,,,,,,,,,,,
CCOc1ccccc1NS(=O)(=O)c1cccs1,CID2053786,,,0.0,,,,,,,0.0,,,0.0,0.0,,,
COc1ccccc1N(CC(=O)NC(C)C)S(=O)(=O)c1cccs1,CID2478897,,,,,,,,,,,,,,0.0,,,
COc1ccc(NS(=O)(=O)c2cccs2)c(OC)c1,CID765893,,,,,0.0,0.0,0.0,,,,,,0.0,0.0,,,0.0
CSc1cccc(NS(=O)(=O)c2cccs2)c1,CID893410,,,0.0,,0.0,,,,0.0,,,,,0.0,,,
CCc1ccc(NS(=O)(=O)c2cccs2)cc1,CID2068299,,,,,0.0,,0.0,,,0.0,,,0.0,,,,0.0
COc1ccccc1N(CC(=O)NCC(C)C)S(=O)(=O)c1cccs1,CID2092060,,,,,,,,,,,,,,0.0,,,
COc1ccccc1NS(=O)(=O)c1cccs1,CID738157,,,,,,,,,0.0,0.0,,,,0.0,0.0,,
N#CCc1ccc(NS(=O)(=O)c2cccs2)cc1,CID846313,,,0.0,,,0.0,,,0.0,0.0,,,,0.0,0.0,,
CC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2cccs2)cc1,CID754067,,,0.0,0.0,0.0,,0.0,,0.0,0.0,,,,0.0,,,
COc1ccc(N(C(C)=O)S(=O)(=O)c2cccs2)cc1,CID701367,,,,,,,,,0.0,0.0,,,,0.0,,,
COc1ccc(N(C(=O)C(C)C)S(=O)(=O)c2cccs2)cc1,CID701365,,,,,,0.0,,,0.0,0.0,,,,0.0,,,
Cc1cccc(NS(=O)(=O)c2cccs2)c1,CID738616,,,,,,,,,,,,,,0.0,,,
COc1ccccc1N(CC(=O)NC(C)(C)C)S(=O)(=O)c1cccs1,CID2437957,,,,,,,,,,,,,,0.0,,,
CCCOC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1,CID646875,,,0.0,,0.0,,,,,,,,,0.0,0.0,,
CCOc1ccccc1NS(=O)(=O)c1ccc(Br)s1,CID1210746,,,,,,,,,0.0,,,,,,,,
COc1ccc(OC)c(NS(=O)(=O)c2ccc(Cl)s2)c1,CID843845,,,,,,,,,,,,0.0,0.0,0.0,,,
CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1,CID893603,,,,,,,,,,,,,,0.0,0.0,,
Cc1nnc(C)n1/N=C/c1ccc(Cl)cc1,CID5337680,,,,,,0.0,,,,,,,,,,,
COc1ccc(/C(C)=N/n2cnnc2)cc1,CID760743,,0.0,,0.0,,,,0.0,,,,,,,,,
COc1ccc(Br)cc1/C=N/n1c(C)nnc1C,CID760465,,,,,,,,,0.0,,0.0,,,,,0.0,0.0
Cc1ccc(/C=N/n2c(C)nnc2C)cc1,CID760500,,0.0,,0.0,,,,0.0,,,,0.0,,,,,
CC(C)CCN(C)c1ccc(/C=N/n2cnnc2)cc1,CID873468,,,,,,,,,,,0.0,,,,,,
COc1ccc(/C=N/n2cnnc2SCCO)cc1OC,CID2281079,,0.0,,,,,,0.0,,,,0.0,,,,,
CCSc1nncn1/N=C/c1ccc(OC)c(OC)c1,CID873436,,0.0,,0.0,,,0.0,,,,0.0,,,,,,
Fc1ccccc1/C=N/n1cnnc1,CID657751,,,,,,,,,,,,,0.0,,,,
Fc1ccc(Br)cc1/C=N/n1cnnc1,CID806248,0.0,,,,,,,,0.0,,,,,,,0.0,0.0
COC(=O)c1ccc(/C=N/n2cnnc2)cc1,CID760733,,,,,,,,0.0,,,,0.0,,,,,
COC(=O)c1ccc(/C=N/n2c(C)nnc2C)cc1,CID760472,,0.0,0.0,,,,0.0,,,,,0.0,,,,,
COc1cc(/C=N/n2c(C)nnc2C)cc(OC)c1OC,CID660481,,0.0,,,,,,,,0.0,,,,,,,
Brc1cccc(/C=N/n2cnnc2)c1,CID661625,0.0,,,,,,,,0.0,,,,,,0.0,0.0,0.0
CCc1ccc(/C=N/n2cnnc2)cc1,CID5338585,,,,,,0.0,,,,,,,,,,,
COc1cccc(/C=N/n2c(C)nnc2C)c1OC,CID760469,,,,,,0.0,,,,,,,0.0,,,,
COc1cc(/C=N/n2cnnc2)ccc1OC(=O)N(C)C,CID3241067,,,0.0,0.0,,,,,,0.0,0.0,0.0,,,,,
CSc1nncn1/N=C/c1ccccc1F,CID4123508,,,,,,,,,,,0.0,,,,,,
Cc1cccc(/C=N/n2c(C)nnc2C)c1,CID761592,,,,,,0.0,,,,,,0.0,,,,,
COc1cc(OC)c(OC)cc1/C=N/n1c(C)nnc1C,CID760482,,,,,,0.0,0.0,,,,,,,,,,
COc1ccc(/C=N/n2c(C)nnc2C)c(OC)c1OC,CID760480,,,,,,0.0,,0.0,,,,,0.0,,,,
C=CCSc1nncn1/N=C/c1ccc(OC)cc1,CID658740,,,,,,,,,,,,,,,0.0,0.0,
COc1ccc(/C=N/n2cnnc2SCCO)cc1,CID2281098,,,,,,,,,,0.0,0.0,0.0,,,,,
CCOc1ccc(/C=N/n2cnnc2)cc1,CID690742,,0.0,,,,,,,,,,0.0,,,,,
COc1c(Cl)cc(Cl)cc1/C=N/n1cnnc1,CID3239821,0.0,,,,,,,,,,,,,,,,
CSc1nncn1/N=C/c1cc(Cl)ccc1F,CID3236828,,0.0,0.0,,0.0,,,,,,,,,,,,
C=C(C)CSc1nncn1/N=C/c1ccc(OC)cc1,CID658992,,,,,,,,,,,,0.0,0.0,,0.0,0.0,
Cc1nnc(C)n1/N=C/c1ccc(C(C)C)cc1,CID726906,,0.0,,,,,0.0,0.0,,,,,,,,,
COc1cc(C)c(Cl)cc1S(=O)(=O)n1cnc2ccccc21,CID1094945,,,,,,,,,0.0,0.0,,,,,,,
Cc1nc2ccccc2n1S(=O)(=O)c1ccc(F)cc1,CID804705,,,,,,0.0,,,,,,,,,,,
COc1ccc(S(=O)(=O)n2cnc3cc(C)c(C)cc32)cc1,CID743799,,0.0,0.0,,,,,0.0,0.0,,,0.0,0.0,0.0,,,0.0
Cc1cc(S(=O)(=O)n2cnc3ccccc32)c(C)cc1Cl,CID934677,0.0,,0.0,,0.0,,,,,0.0,,,,,0.0,,0.0
Cc1ccc(C)c(S(=O)(=O)n2cnc3ccccc32)c1,CID700148,,,,,,,,,,,,0.0,,0.0,,,0.0
CC(=O)Nc1ccc(S(=O)(=O)n2cnc3ccccc32)cc1,CID2836732,,,,,,,,,0.0,,,,,,,,
CCCCNS(=O)(=O)c1ccc(S(=O)(=O)n2cnc3ccccc32)cc1,CID3221366,,,,,,,,,,0.0,0.0,,,,,,
Cc1ccc(S(=O)(=O)n2cnc3ccccc32)cc1,CID746711,,,,,,,,,,,,0.0,,,0.0,,
CCOc1cc(C)c(Cl)cc1S(=O)(=O)n1cnc2ccccc21,CID1243561,0.0,0.0,,0.0,0.0,,,,,,,,,,,,
COC(=O)Nc1ccc(S(=O)(=O)n2cnc3ccccc32)cc1,CID2928149,,,,,,,,,0.0,,,,,0.0,,,
CCOc1ccc(Cl)cc1S(=O)(=O)n1cnc2cc(C)c(C)cc21,CID1288960,,,,,,0.0,,,,0.0,,,,0.0,,,
CCCCOc1ccc(S(=O)(=O)n2c(C)nc3ccccc32)cc1,CID2252413,,,,,,,,0.0,0.0,,,0.0,,,,,
CCOc1cc(S(=O)(=O)n2c(C)nc3ccccc32)ccc1F,CID2236915,,,,,,,,,,,0.0,0.0,,,,,0.0
CC(=O)c1nc2ccccc2n1S(=O)(=O)c1ccc(C)cc1,CID3238921,,,0.0,,,,,,0.0,0.0,,0.0,,,0.0,,0.0
Cc1cc(C)c(S(=O)(=O)n2cnc3ccccc32)c(C)c1,CID576712,,,,,,,,,,,,,,0.0,,,
CC(=O)c1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1,CID3244418,,0.0,0.0,,0.0,,,,,,,,,,,,0.0
CCSc1nc2ccccc2n1S(=O)(=O)c1ccccc1,CID5309841,,0.0,,,,,,,,,,,0.0,,,,
Cc1ccc(S(=O)(=O)n2cnc3ccccc32)c(C)c1,CID712653,,,,,,,,,,,,0.0,,0.0,,,
CC(=O)Nc1ccc(S(=O)(=O)n2cnc3cc(C)c(C)cc32)cc1,CID775478,0.0,0.0,,0.0,,,,,,,,,0.0,,,0.0,
CCOc1ccc(S(=O)(=O)n2cnc3cc(C)c(C)cc32)cc1,CID645879,0.0,,,,,,,,0.0,,,0.0,0.0,0.0,,,0.0
CCOc1ccc(Cl)cc1S(=O)(=O)n1cnc2ccccc21,CID976936,,,0.0,,0.0,,,,,0.0,,,0.0,0.0,,,0.0
COc1ccc(Cl)cc1S(=O)(=O)n1cnc2ccccc21,CID741690,,0.0,,,0.0,0.0,,,,0.0,,,0.0,0.0,,,0.0
COc1cc(S(=O)(=O)n2c(C)nc3ccccc32)ccc1F,CID934649,,,0.0,,,,,,,,,0.0,0.0,,,,
COc1ccc(S(=O)(=O)n2cnc3cc(C)c(C)cc32)cc1C,CID673991,0.0,,,0.0,,,,,0.0,,,0.0,,,,,
COc1ccc(OC)c(S(=O)(=O)n2cnc3cc(C)c(C)cc32)c1,CID700152,,,0.0,0.0,,0.0,,,0.0,0.0,,0.0,,0.0,,0.0,0.0
C=CCSc1nc2ccccc2n1S(=O)(=O)c1ccc(C)cc1,CID4642224,,,,,,,,,,0.0,,,,,,,
CCOc1ccc(S(=O)(=O)n2c(C)nc3ccccc32)cc1,CID846995,0.0,,,0.0,,,,0.0,0.0,,,,0.0,0.0,,,
Cc1ccc(C(=O)NCc2ccc(Cl)c(Cl)c2)o1,CID873565,,,,,,,,,0.0,,,,,,,0.0,
CN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])o1,CID3099052,,,,,,,,,,,,,,0.0,,,
COc1ccc(CNC(=O)c2ccc(C)o2)cc1,CID903828,,,,,,,,,,0.0,,,,,,,
Cc1ccc(C(C)NC(=O)c2ccco2)cc1C,CID2970728,,,,,,,,,,,,,,,,0.0,0.0
Cc1ccc(C(=O)NCc2ccc(Cl)cc2)o1,CID844614,,0.0,,,,,,,,0.0,,,0.0,,,0.0,0.0
O=C(NCc1ccccc1Cl)c1ccc(Br)o1,CID888361,,,,,,,,,,,,,,0.0,,,
O=C(NCc1ccccc1)c1ccco1,CID347531,,,,,,,,,,0.0,,0.0,,,,,
O=C(O)c1ccc(CNC(=O)c2ccc(Br)o2)cc1,CID973362,,,,,,,0.0,,0.0,,,,,,,,0.0
Cc1ccoc1C(=O)NCc1ccccc1,CID878870,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C(=O)NC(C)c2ccccc2)o1,CID3760294,,,,,,,,,,0.0,,,,,,,
O=C(NCc1ccccc1Br)c1ccco1,CID1247476,0.0,,,,,,0.0,,0.0,,,0.0,,,,0.0,0.0
CCOC(=O)CC(NC(=O)c1ccco1)c1ccccc1Cl,CID3242923,0.0,,,,,,,,,,,,,,,,0.0
COc1ccc(CNC(=O)c2ccc(Br)o2)cc1,CID843088,,,,,,,,,,,,,,,0.0,,
NS(=O)(=O)c1ccc(CNC(=O)c2ccc(Br)o2)cc1,CID1011395,,,,,,,,,0.0,,,,,,,,0.0
Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])o2)cc1,CID743472,,,,,,0.0,,,,,,,,,0.0,,
CC(C)(C)N(Cc1ccccc1)C(=O)c1ccc(Br)o1,CID888377,,,,,,,,,,,,,,,0.0,,
O=C(NCc1ccc(F)cc1)c1ccc(Br)o1,CID2668570,,,,,,,,,,,,,,,0.0,,
Cc1ccc(CNC(=O)c2ccc(Br)o2)cc1,CID803438,0.0,,,,,,,,0.0,,0.0,,,,,0.0,0.0
COc1ccc(C(CC(=O)O)NC(=O)c2ccco2)cc1OC,CID645152,,0.0,,,,0.0,0.0,,,,,,,,,0.0,
O=C(NCc1cccc(Cl)c1)c1ccco1,CID1246175,0.0,,,,,,,,,0.0,,,,0.0,,0.0,0.0
COc1ccccc1C(C)NC(=O)c1ccc(C)o1,CID4883853,,,,,,,,,,,,,,,0.0,,
COc1ccccc1CNC(=O)c1ccc(Br)o1,CID848257,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(C(CC(=O)O)NC(=O)c2ccco2)cc1OC,CID646363,,,,0.0,,,0.0,0.0,,,,,,,,0.0,
CCOC(=O)CC(NC(=O)c1ccco1)c1ccc(C)cc1,CID4030511,,,,,,0.0,,,,,,,,,,,
COc1ccc(OC)c(C(C)NC(=O)c2ccco2)c1,CID2918740,,,0.0,,,,,,,0.0,,,,,0.0,0.0,
CCOc1ccc(C(CC(=O)O)NC(=O)c2ccco2)cc1,CID3124261,,,,,,,,,,0.0,,,,,,,
O=C(NCc1ccccc1)c1ccc(COCC(F)(F)F)o1,CID892065,,,,0.0,,,,,0.0,,,,,,,,0.0
CC(=O)Nc1nnc(SCc2cccc(F)c2)s1,CID2191928,,0.0,0.0,0.0,0.0,,,,,0.0,,,0.0,,,,
Nc1nnc(SCc2cccc(C(F)(F)F)c2)s1,CID778407,,,,,0.0,,,,,,,,,,,,
COC(=O)CSc1nnc(SCc2ccccc2)s1,CID797771,,,,,0.0,,,,0.0,,,,,,,,
COC(=O)c1ccc(CSc2nnc(N)s2)cc1,CID2384734,0.0,,,,0.0,,0.0,,0.0,0.0,0.0,,0.0,,,,
COC(=O)CSc1nnc(SCc2ccc(OC)cc2)s1,CID974147,,,,,0.0,,,,0.0,,,,,0.0,0.0,,
CCOc1ccc(C(C)=O)cc1CSc1nnc(N)s1,CID2081893,,,,,,,,,,,,,,0.0,0.0,,
COC(=O)c1ccc(CSc2nnc(NC(C)C)s2)cc1,CID2501770,,,,,,,,,0.0,,,,,0.0,,,
Cc1nnc(SCc2cccc([N+](=O)[O-])c2)s1,CID978222,,,,,,,,,,,,,,0.0,,,
Nc1nnc(SCc2ccc(F)cc2Cl)s1,CID972610,,,0.0,,,,,,,0.0,,,,0.0,,,
CCOC(=O)c1ccc(CSc2nnc(N)s2)cc1,CID977678,0.0,,,,0.0,,,,0.0,,0.0,,0.0,,,,
COc1ccc(CSc2nnc(N)s2)cc1F,CID644845,,,0.0,,,,,,,,,,0.0,,,,
COC(=O)Nc1nnc(SCc2ccc(C)cc2)s1,CID976061,0.0,0.0,0.0,0.0,0.0,,0.0,,0.0,0.0,0.0,,,0.0,0.0,,
O=C(O)CCN(CCC(=O)O)c1nnc(SCc2ccccc2)s1,CID661475,,,,,0.0,,,,,,,,,,,0.0,
Nc1nnc(SCc2ccccc2Cl)s1,CID673926,,,,,,,,,0.0,,,,,,0.0,,
CCN(CC)C(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1,CID1543071,,,,,,,,,0.0,,,,,,,,
COC(=O)c1cccc(CSc2nnc(C)s2)c1,CID660933,,,,,0.0,,,,,0.0,,,0.0,0.0,0.0,,
COc1ccc(C(C)=O)cc1CSc1nnc(C)s1,CID672529,,,0.0,,0.0,,,,,,,,,0.0,,,
CC(C)(C)C(=O)Nc1nnc(SCc2ccc(F)cc2)s1,CID938773,,,,,,0.0,,,,,,,,,,,
Cc1nnc(SCc2c(Cl)cccc2[N+](=O)[O-])s1,CID892422,,,,,,,,,,,,,,0.0,0.0,,
Cc1nnc(SCc2ccc(F)cc2)s1,CID573249,,,,,0.0,,0.0,,,,0.0,,0.0,,,,
COC(=O)c1ccc(CSc2nnc(C)s2)cc1,CID701100,,,,,,0.0,,,0.0,0.0,,,,0.0,,,
Cc1nnc(SCc2ccc(C(=O)O)cc2)s1,CID726031,,,,,,,,,,0.0,,,,,0.0,,
NC(=O)CSc1nnc(SCc2ccc(F)cc2)s1,CID950392,,,,,,,,,,,,,,,0.0,,
CC(Sc1nnc(N)s1)c1ccccc1Cl,CID587037,,,0.0,,,,,,0.0,,,0.0,,,,,
COC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1,CID853220,,,,,,,,,,0.0,,,,0.0,,,
CC(C)COC(=O)Nc1nnc(SCc2ccccc2F)s1,CID976268,,,,,,,,,,,,,,,0.0,,
Nc1nnc(SCc2ccc(F)cc2)s1,CID723666,,,,,,,0.0,,,,,,,,,,
COc1cc(SC)ccc1C(=O)NCC1CCCO1,CID2889735,,,0.0,0.0,0.0,,,,,,,,,,,,0.0
COc1cc(C(=O)NCC2CCCO2)cc(OC)c1OC,CID2865210,,,,,,,,,,,,0.0,,,,,
CN(C)c1cccc(C(=O)NCC2CCCO2)c1,CID2865212,,,0.0,,,,0.0,,,,,,,,,,
CS(=O)(=O)Nc1ccc(C(=O)NCC2CCCO2)cc1,CID2966478,,0.0,,0.0,,,,,0.0,,,,,,0.0,0.0,
CN(C)S(=O)(=O)c1cccc(C(=O)NCC2CCCO2)c1,CID2966268,,,,0.0,,,,,,,0.0,,,,,,
CN(C)c1ccc(C(=O)NCC2CCCO2)cc1,CID3118740,,,,,,,,,,0.0,,,,,,,
COC(=O)Nc1ccc(C(=O)NCC2CCCO2)cc1,CID2961671,,,0.0,0.0,,,0.0,,,0.0,,,0.0,,,,
O=C(NCC1CCCO1)c1ccccc1,CID2842558,,,,,,,,,,0.0,,,,,,,
COCCSc1ccccc1C(=O)NCC1CCCO1,CID2963121,,,,0.0,,,,,0.0,,,,,,,,
COc1cccc(C(=O)NCC2CCCO2)c1,CID531836,,0.0,,,,,,,,,,,,,,,0.0
CCCCS(=O)(=O)Nc1ccc(C(=O)NCC2CCCO2)cc1,CID2972766,,,0.0,,,,,0.0,0.0,0.0,,,,,,0.0,
Cc1cccc(C(=O)NCC2CCCO2)c1,CID531960,,,,,,,,,,,0.0,,,,,,
O=C(NCC1CCCO1)c1ccc(Cl)c(F)c1F,CID656136,,,,,,,,,,,,0.0,,,,,
CCCNS(=O)(=O)c1ccc(C(=O)NCC2CCCO2)cc1,CID652828,,,,0.0,,,,,0.0,,,,,,,0.0,0.0
CN(C)S(=O)(=O)c1cc(C(=O)NCC2CCCO2)c(Cl)cc1Cl,CID2953771,,,,,,,0.0,,,,,,0.0,,0.0,,
CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC2CCCO2)c1,CID2999840,0.0,,,0.0,,,,,,,,,,,,,0.0
O=C(NCC1CCCO1)c1cccc(Br)c1,CID531994,0.0,,,,,,,,,,,,,,,0.0,0.0
O=C(NCC1CCCO1)c1ccc(COCC(F)(F)C(F)F)cc1,CID2941650,,,,,,,,,,,,,,,,,0.0
CC(NC(=O)c1cccc(C(F)(F)F)c1)C1CCCO1,CID2971075,,,,0.0,,,,,0.0,,,,,,,,0.0
CN(c1ccccc1C(=O)NCC1CCCO1)S(C)(=O)=O,CID2955389,,0.0,,0.0,,,,,,,,,,,,,
CCOc1ccc(C(=O)NCC2CCCO2)cc1,CID2850672,,,,,,,0.0,,,0.0,,,0.0,,,0.0,0.0
CCOc1cc(C(=O)NCC2CCCO2)cc(OCC)c1OCC,CID2853650,,,,,,,,,,,,,,,,0.0,
COc1cc(OC)cc(C(=O)NCC2CCCO2)c1,CID2859420,,,,,,,0.0,,,,,,,,,0.0,
CCSc1ccccc1C(=O)NCC1CCCO1,CID2956620,,,,,0.0,,0.0,,,0.0,,,,,,,
CN(c1ccc(C(=O)NCC2CCCO2)cc1)S(C)(=O)=O,CID2947648,,,,,,,,,,0.0,,,,,,,
CCOC(=O)Nc1ccc(C(=O)NCC2CCCO2)cc1,CID3237182,0.0,,,0.0,,,,0.0,0.0,,,,0.0,,,,0.0
CCCC(=O)Nc1ccc(C(=O)NCC2CCCO2)cc1,CID2952359,,,,,,0.0,,,0.0,,,,,,,,
COc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(C)=O)cc1,CID647135,0.0,0.0,,,0.0,0.0,,,0.0,,0.0,0.0,0.0,,,,
COc1ccccc1N(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)C(C)C,CID662158,0.0,,0.0,,0.0,,,,0.0,,0.0,,,,,,0.0
CCCC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1ccccc1OC,CID661306,0.0,,,,0.0,,,0.0,0.0,0.0,,0.0,,0.0,,,0.0
COc1ccc(N(Cc2cc3cc(OC)ccc3[nH]c2=O)S(C)(=O)=O)cc1,CID666374,,,0.0,0.0,,,,,,,0.0,,,,,0.0,
CCCC(=O)N(Cc1cc2ccccc2[nH]c1=O)c1ccccc1OC,CID660573,0.0,,,,0.0,0.0,,,,,0.0,0.0,,,,,
COCC(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)c1ccc(OC)cc1,CID663591,,,0.0,,,,0.0,,0.0,,,,0.0,,,,0.0
COCC(=O)N(Cc1cc2cc(OC)ccc2[nH]c1=O)c1ccccc1,CID664406,,,,,,,,,0.0,0.0,,0.0,,0.0,,,
COCC(=O)N(Cc1cc2cc(OC)ccc2[nH]c1=O)c1ccc(C)cc1,CID665258,,,0.0,,,,0.0,0.0,0.0,,,0.0,,,,,0.0
CCC(=O)N(Cc1cc2cc(OC)ccc2[nH]c1=O)c1ccc(C)cc1C,CID645622,0.0,,,,0.0,,,,0.0,,,0.0,,,,,0.0
COCC(=O)N(Cc1cc2ccccc2[nH]c1=O)c1ccc(OC)cc1,CID665226,,,,0.0,,0.0,0.0,,0.0,,,,0.0,,,,0.0
COc1ccc2[nH]c(=O)c(CNc3cccc(C)c3)cc2c1,CID943158,,,,,,,,,,0.0,,,,,,,
COCC(=O)N(Cc1cc2ccccc2[nH]c1=O)c1ccccc1OC,CID664722,,0.0,0.0,,,,0.0,,0.0,,,,0.0,,,,0.0
CCOc1ccc(N(Cc2cc3cc(OC)ccc3[nH]c2=O)S(C)(=O)=O)cc1,CID666657,,,,,,,,,0.0,,,,,,,,
COc1ccc2[nH]c(=O)c(CN(C(C)=O)c3cccc(C)c3)cc2c1,CID652563,0.0,0.0,0.0,,0.0,,,,0.0,,0.0,0.0,,,,0.0,
CCOc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)COC)cc1,CID665126,,,,,,,0.0,,0.0,0.0,0.0,,,,,,
COc1ccc2[nH]c(=O)c(CNc3ccc(C)c(C)c3)cc2c1,CID939029,,,,,,,,,0.0,0.0,,,,,,,
CCC(=O)N(Cc1cc2cc(OC)ccc2[nH]c1=O)c1ccccc1C,CID649257,0.0,,,,0.0,0.0,,,0.0,,,0.0,,,,,0.0
COc1ccc(NCc2cc3cc(OC)ccc3[nH]c2=O)cc1,CID664029,0.0,,,,,,0.0,,,,,0.0,,,,,0.0
CCOc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)S(C)(=O)=O)cc1,CID1242082,,,,,,,,,,0.0,,,,,,,
COCC(=O)N(Cc1cc2cc(OC)ccc2[nH]c1=O)c1ccccc1OC,CID664820,,,,,,0.0,0.0,,0.0,0.0,,,0.0,,,,
COc1ccc(NCc2cc3ccccc3[nH]c2=O)cc1,CID663197,0.0,0.0,0.0,0.0,0.0,,0.0,,,,,,,0.0,,,
CCC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1ccccc1OC,CID661191,0.0,,0.0,,,0.0,,0.0,0.0,,0.0,,0.0,,,,
CCC(=O)N(Cc1cc2cc(OC)ccc2[nH]c1=O)c1cccc(C)c1,CID654560,0.0,,0.0,,,0.0,0.0,0.0,0.0,,0.0,0.0,,,,0.0,
COc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)S(C)(=O)=O)cc1,CID1265375,,,,,,,,,0.0,,,,,,,,
CCCC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)c1ccccc1OC,CID1017076,0.0,,0.0,,0.0,,,,0.0,,0.0,0.0,,,,,0.0
CCC(=O)N(Cc1cc2cc(OC)ccc2[nH]c1=O)c1cc(C)ccc1C,CID650771,0.0,,,,0.0,,,0.0,,,,0.0,,,,,
Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)S(C)(=O)=O)cc1,CID2480906,,,,,,,,,,,,,,,0.0,,
COc1ccc(N(CC(=O)Nc2cccc(C(=O)O)c2)S(=O)(=O)c2c(C)noc2C)cc1,CID3240392,,,,,0.0,,,0.0,0.0,,,,,,,,
COc1ccc(N(CC(=O)Nc2ccc(F)c(Cl)c2)S(=O)(=O)c2c(C)noc2C)cc1,CID3241260,0.0,0.0,,,0.0,,0.0,,,,,0.0,0.0,,,,0.0
CCOc1ccc(N(CC(=O)Nc2ccccc2C)S(=O)(=O)c2c(C)noc2C)cc1,CID5307214,,,,,,0.0,0.0,0.0,,,,,,,,0.0,0.0
COc1ccc(N(CC(=O)Nc2cc(C)ccc2OC)S(=O)(=O)c2c(C)noc2C)cc1,CID3239140,,,,0.0,0.0,,,,,0.0,,,,0.0,,,
COc1ccc(OC)c(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2c(C)noc2C)c1,CID3244680,,,,0.0,0.0,,,,,0.0,,,,,,,0.0
CCOc1ccc(N(CC(=O)Nc2ccc(C)cc2)S(=O)(=O)c2c(C)noc2C)cc1,CID5308971,,,,,,0.0,,0.0,,,,,0.0,,,0.0,
COc1cc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2c(C)noc2C)cc(OC)c1,CID5309469,,,,,,,,0.0,,,,,0.0,,,0.0,
CCOc1ccc(N(CC(=O)Nc2cccc(Cl)c2)S(=O)(=O)c2c(C)noc2C)cc1,CID5307973,0.0,0.0,,0.0,,0.0,,,,,,,,,,,
Cc1ccc(N(CC(=O)Nc2ccc(F)c(Cl)c2)S(=O)(=O)c2c(C)noc2C)cc1,CID3245928,0.0,,,,0.0,,,,,,,,,,,,
CCOc1ccc(OCC)c(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2c(C)noc2C)c1,CID3241947,,,,,0.0,,,,,,,,0.0,,,,
CCOc1ccc(N(CC(=O)Nc2cccc(OC)c2)S(=O)(=O)c2c(C)noc2C)cc1,CID5309134,,,,,,,0.0,0.0,,,,,,,,0.0,
CCOC(=O)c1cccc(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2c(C)noc2C)c1,CID3244888,,0.0,,,0.0,,,,,,,,,,,,0.0
CCOc1ccc(N(CC(=O)Nc2ccc(OC)cc2)S(=O)(=O)c2c(C)noc2C)cc1,CID5308594,,,,,,,,0.0,,,,,,,,0.0,0.0
CCOC(=O)c1cccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2c(C)noc2C)c1,CID3237614,,,0.0,,0.0,,,0.0,0.0,,0.0,,0.0,,,,
COc1ccc(N(CC(=O)Nc2ccc(OC)c(Cl)c2)S(=O)(=O)c2c(C)noc2C)cc1,CID3239507,0.0,,0.0,0.0,0.0,,,,,,,,0.0,,,,
COc1ccc(N(CC(=O)Nc2cc(C(=O)O)ccc2C)S(=O)(=O)c2c(C)noc2C)cc1,CID3235689,,,,,0.0,,,0.0,0.0,0.0,,,0.0,,,,
COc1ccc(OC)c(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2c(C)noc2C)c1,CID5308109,,,,,,,,,,,,,0.0,,,,
CCOc1ccc(N(CC(=O)Nc2ccc(C)c(C)c2)S(=O)(=O)c2c(C)noc2C)cc1,CID5307319,,,0.0,,,,0.0,,,,,,,,,,
CCOc1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2c(C)noc2C)cc1,CID5309263,,,0.0,,,,,,,,,,,,,,
CCOc1ccc(N(CC(=O)Nc2cccc(F)c2)S(=O)(=O)c2c(C)noc2C)cc1,CID5307744,,,,,,0.0,,0.0,,,,,,,,,
CCOc1ccc(N(CC(=O)Nc2ccc(F)c(F)c2)S(=O)(=O)c2c(C)noc2C)cc1,CID5308954,0.0,,,,,,,,,,,,,,,,
COc1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2c(C)noc2C)cc1,CID5309297,,,,0.0,,,,0.0,,,,,,,,0.0,
CCOc1ccccc1NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1c(C)noc1C,CID5308470,,,,,,,,,,,,,0.0,,,,
CCOc1ccccc1NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1c(C)noc1C,CID3240045,,,,,0.0,,,0.0,,0.0,,,,0.0,,,0.0
COc1ccc(N(CC(=O)Nc2cc(Cl)ccc2OC)S(=O)(=O)c2c(C)noc2C)cc1,CID3240730,0.0,,0.0,0.0,0.0,,,,0.0,,,0.0,0.0,,,,
CCOc1ccccc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1c(C)noc1C,CID3244009,,,,,0.0,,,0.0,,,,0.0,,,,0.0,
COc1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2c(C)noc2C)cc1OC,CID5307156,,0.0,0.0,,,,,,,,0.0,,,,,0.0,
CCCCOc1cccc(C(=O)Nc2ccc(N3CCN(CC)CC3)cc2)c1,CID2200234,0.0,,,,,,0.0,,,,,,,,,,
CCCCOc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1,CID1814746,0.0,,,,,,,,,,0.0,,,,0.0,,0.0
CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1,CID651871,,0.0,0.0,,,,0.0,,,0.0,0.0,0.0,0.0,,,,
CCCCOc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)C(C)C)CC3)cc2)cc1,CID1618504,,,,,0.0,,,,,,,0.0,,,,,
COc1cccc(OC)c1C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1,CID653407,,0.0,0.0,,0.0,0.0,0.0,,,,,,,,,0.0,0.0
COc1ccccc1C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1,CID650689,0.0,,0.0,,0.0,,,0.0,,,,0.0,0.0,,,,0.0
CC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3Br)cc2Cl)CC1,CID2238495,,,,,,,,,,,,,,,,,0.0
CCN1CCN(c2ccc(NC(=O)c3cccc(F)c3)cc2Cl)CC1,CID1090203,,,,,,,,,,,,,,,0.0,,
CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1,CID2890329,,,,,,0.0,,,,,,,,,,,
COc1c(C)cccc1C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1,CID648552,0.0,0.0,,,0.0,0.0,,,,,,,0.0,,,,
CC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1,CID2889974,,,,,,0.0,,,,,,,,,,,
CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C)cc3)cc2)CC1,CID1132517,,,,,,,,,,,0.0,,,,,,
CCOc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1Br,CID1017508,0.0,,,,,,0.0,,,,,0.0,,0.0,,,1.0
CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(OCC)c([N+](=O)[O-])c3)cc2)CC1,CID2950226,,,,,,0.0,,,,,,0.0,,,,,
CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3)cc2)CC1,CID653421,0.0,,,,,0.0,0.0,,,,,0.0,0.0,,,,0.0
CCOc1cc(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)cc(OCC)c1OCC,CID2950805,,,,0.0,0.0,,,0.0,,,0.0,,,,,,0.0
COc1ccc(Br)cc1C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1,CID1288018,0.0,,,,,,0.0,,0.0,,,,,,0.0,,0.0
CN1CCN(c2ccc(NC(=O)c3ccccc3Br)cc2)CC1,CID1294737,0.0,,,,,,0.0,,0.0,,0.0,,,,,,0.0
CC(C)Oc1cccc(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)c1,CID645732,,,0.0,,0.0,,,,,,0.0,,,,,,0.0
CCOc1cccc(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)c1,CID1048485,0.0,0.0,,,0.0,0.0,,,,,,,,,,,
CCC(=O)N1CCN(c2ccc(NC(=O)c3c(F)c(F)c(OC)c(F)c3F)cc2)CC1,CID2979946,,,,,,,,,0.0,,,,,,,,
COc1cccc(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)c1,CID1087165,,,,,,,,,,,0.0,,,,,,
CC(=O)N1CCN(c2ccc(NC(=O)c3cccc(Cl)c3)cc2)CC1,CID2890412,,,,,,0.0,,,,,,,,,,,
CCCOc1ccc(C(=O)Nc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1,CID654914,0.0,,0.0,,,,0.0,0.0,,,,0.0,0.0,,0.0,,
COc1c(C)cc(Br)cc1C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1,CID1299265,,,,,,,,,0.0,,,,,,,,
CCCCOc1ccc(C(=O)Nc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1,CID661661,0.0,,,,0.0,,,0.0,0.0,0.0,,0.0,,,,,0.0
COCCNC(=O)CN1c2ccccc2CC1C,CID2998176,,0.0,,,,,,,,0.0,0.0,,,,,,
CCCN(CCC)S(=O)(=O)c1cc(Br)cc2c1N(C(=O)CC)CC2,CID3237215,,,,,,,,,0.0,,,,,,,0.0,
CC(=O)N1c2ccc(S(=O)(=O)CCC(=O)O)cc2CC1C,CID3239973,,,0.0,,0.0,,0.0,,0.0,,,0.0,,,,0.0,
CCOCC(=O)N1CCc2ccccc21,CID2163142,,,,,,,0.0,0.0,,,,,0.0,,,0.0,
CCOCCCNS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O,CID3238299,,,,,,,0.0,,,,,,,0.0,,,
CC(=O)NC(CCS(C)(=O)=O)C(=O)N1CCc2ccccc21,CID3238822,,0.0,,,,,0.0,,,,,,,,,,
CCCCN1c2cc(C)c(O)cc2C(C(=O)OCC)C1C,CID663579,,,,,,,0.0,,,,,,,,,,
CC1Cc2ccccc2N1C(=O)CSCC(=O)O,CID3241479,,,,,,,,,0.0,,,,,,,,
CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CC(=O)OC)c21,CID3243651,,,,,,,,,0.0,,,,,,,,
CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)O)ccc21,CID3244828,,,,,0.0,,,0.0,,,,,,,,,
CCCCC(CC)CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)O,CID3243399,,,0.0,0.0,,,,0.0,,,,,0.0,,,,
C/C(=C\C(=O)N1CCc2ccccc21)C(=O)O,CID1913412,,,,,,0.0,,,,,,,,,,,
COCCCNS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O,CID3243161,,,,,,,,,,,,0.0,,,,,
CCCNS(=O)(=O)c1cc(Br)cc2c1N(C(=O)CC)CC2,CID3236708,,,,,,,,,0.0,,,,,,,0.0,
CN(C)CCN1CCc2ccccc21,CID744368,,,,,,,,,,,0.0,,,,,,
CCOCCCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CC,CID3237011,,,,,,,,,,0.0,,,,,,,
CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)O)ccc21,CID3239436,,,,,0.0,,,0.0,0.0,,,0.0,,,0.0,,
COCCNC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O,CID4016566,,,,,,,,,,,,,,,0.0,,
CS(=O)(=O)N1CCc2cc(C(=O)O)ccc21,CID974447,,,0.0,,,,0.0,,0.0,,,0.0,,,,,
COCCCNC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O,CID2225052,,,,,,,,,,,,,,0.0,,,
O=C(CSCCO)N1CCc2ccccc21,CID2203076,,,0.0,0.0,0.0,,,,,,,0.0,,0.0,,,
CN(C)S(=O)(=O)N1CCc2ccccc21,CID744039,,,,,,,0.0,,,,,,0.0,,,,
CC(=O)N1CCc2cc(S(=O)(=O)NCCCOC(C)C)ccc21,CID3242487,,,,,,,,0.0,,,,,0.0,,,,
CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)NCCOC)c21,CID9551431,,,,,,,,,0.0,,,,,,,,
O=C(O)CCN1CCc2ccccc21,CID647211,,,,,,,,,,0.0,,,0.0,,,,
CCCN(CCC)CCCNS(=O)(=O)c1cc(Br)cc2c1N(C(C)=O)CC2,CID3241617,,,,,,,,,0.0,,,,,,,,
CCCN(CCC)c1nc2ccccc2nc1C(C#N)C(=O)OCCOC,CID665104,,,,,,,,,,0.0,,,,,,,
CC(=O)Nc1cnc2ccccc2n1,CID589480,,,,0.0,,,,,,,,,,,,,
Nc1nc2ccccc2nc1N,CID241488,,,,,,,,,0.0,0.0,,,,,,0.0,
CC(C)CC(NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc2nccnc2c1,CID1987500,,,,,,,,,,,0.0,,,,,,
CC(Sc1cnc2ccccc2n1)C(=O)O,CID4312795,,,,,,,,,,,,0.0,,,,,
O=C(O)c1nc2ccccc2nc1C(=O)O,CID81342,,,,,,,,0.0,,,,,,,,,
C=CCN(CC=C)c1nc2ccccc2nc1C(C#N)C(=O)OC(C)C,CID660884,,0.0,,,,,,0.0,,,,,,,,,
CCCN(CCC)c1nc2ccccc2nc1C(C#N)C(=O)OC(C)COC,CID660397,,,,,,,,,,,,0.0,,,,,
COc1ccc(NC(C)=O)c2nc(C)c(C)nc12,CID794487,,0.0,0.0,,,0.0,,0.0,,,,,,,,,
CC(C)(C)CC(C)(C)NC(=O)c1ccc2nccnc2c1,CID5341729,,,,,,0.0,,,,,,,,,,,
Cc1ccc2nc(C)c(C)nc2c1N,CID718860,,,,,,,,0.0,,,,0.0,0.0,,0.0,,
O=C(COC(=O)/C=C/c1cnc2ccccc2n1)NCC(F)(F)F,CID2395900,,,,,,,,,,,,0.0,,,,,
CC(C)(C)NC(=O)Nc1ccc2nccnc2c1,CID1350527,,,,0.0,,0.0,,0.0,,,,,,,,,
O=C(O)c1cnc2ccccc2n1,CID96695,,,0.0,,,,0.0,,,,,,,,,,
CC(C)N(C(=O)Nc1ccc2nccnc2c1)C(C)C,CID798077,,,0.0,0.0,,,,,,,,0.0,,,,,
C=CCN(CC=C)c1nc2ccccc2nc1C(C#N)C(=O)OCCOC,CID660819,,,0.0,0.0,,,,,,,,,,,,0.0,
CCCCN(CCCC)c1nc2ccccc2nc1C(C#N)C(=O)NCCCOC,CID659480,,,0.0,,,0.0,,,,0.0,,,,,,,
COCCOc1nc2ccccc2nc1C,CID1883593,,,,,,,0.0,,,,,,,,,,
CNC(=O)CSc1cnc2ccccc2n1,CID3354384,,,,,,,,,,,,,,0.0,,,
CCC(C)C(NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cccc2nccnc12,CID9551699,,,,,,,,,,,,0.0,,,,,
C=CCNC(=O)c1ccc2nccnc2c1,CID2256092,,,,,,,,,,,,0.0,,,,,
CCN(CC)c1nc2ccccc2nc1C(C#N)C(=O)NCCCOC,CID665634,,,,0.0,,,,0.0,0.0,,,,,,,,
COC(=O)CSc1nc2ccccc2nc1SCC(=O)OC,CID946874,,,0.0,,0.0,0.0,,,,,,,,,,,
Cc1nc2ccc(C(=O)O)cc2nc1C,CID236268,,,,,,,,,,,,,,0.0,0.0,,
NC(=O)CSc1nc2ccccc2nc1SCC(N)=O,CID612552,,,,,,,,,,,,,,0.0,,,
CC(C)(C)NC(=O)c1ccc2nccnc2c1,CID654441,0.0,,,0.0,,,,,,,,0.0,,,0.0,,
CC(=O)Nc1cccc(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)c1,CID657970,,,,,,,,,0.0,,,,,,,0.0,
Cc1ccc(C)c(NC(=O)CSc2ccccn2)c1,CID685329,,,,,,0.0,,,,,,,,,,,
COCc1cc(C)nc(SCC(=O)Nc2cccc(C)c2C)c1C#N,CID1804684,,,,0.0,0.0,,0.0,,0.0,0.0,,,,,,0.0,
COc1ccc(NC(=O)CSc2ccccn2)cc1,CID677656,,,,,,,,,,,0.0,0.0,,,,,
O=C(CSc1ncccc1C(=O)O)Nc1ccccc1,CID1133676,,,,,,0.0,,,,,,,,,,,
NS(=O)(=O)c1ccc(NC(=O)CSc2ccccn2)cc1,CID647669,,,,0.0,,,,,,0.0,,,0.0,,,,
COCc1cc(C)nc(SCC(=O)Nc2cccc(C)c2)c1C#N,CID755828,0.0,0.0,,,0.0,,,,,,,,,,,0.0,
COc1cccc(NC(=O)CSc2ccccn2)c1,CID659569,,,,0.0,0.0,,0.0,0.0,,,,,,,0.0,,0.0
CCOC(=O)c1cccnc1SCC(=O)N(C)c1ccccc1,CID3237589,0.0,0.0,,0.0,,,,,,,,0.0,0.0,,,,0.0
Cc1ccccc1NC(=O)CSc1nc(N)c(C#N)cc1C#N,CID678367,,,,0.0,,,,,,0.0,,,0.0,,,,
COc1ccc(OC)c(NC(=O)CSc2ncccc2C(=O)O)c1,CID652069,,,,,,,,,,,,,,,,0.0,
Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccccc2C)n1,CID555289,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(NC(=O)CSc2ccccn2)cc1OC,CID2370057,0.0,,,,0.0,,0.0,,,,,,0.0,,,,
COC(=O)c1ccccc1NC(=O)CSc1ccccn1,CID667093,0.0,,,,,,0.0,,,0.0,0.0,0.0,,,,0.0,0.0
COCc1cc(C)nc(SCC(=O)Nc2ccccc2C)c1C#N,CID655184,0.0,0.0,,0.0,0.0,,0.0,,0.0,,0.0,,0.0,,,0.0,
Cc1ccc(NC(=O)CSc2ccccn2)cc1,CID687274,,,,,,0.0,,,,,,,,,,,
Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccccc2C(N)=O)n1,CID655086,,,,,,,,0.0,,,,,,,,,
COC(=O)c1ccc(NC(=O)CSc2ccccn2)cc1,CID892607,,,,,,,,,,0.0,,0.0,,,,,
CN(C(=O)CSc1ncccc1C(=O)O)c1ccccc1,CID3238976,,,,,,,0.0,0.0,,,,,,,,,
Cc1ccc(C)c(NC(=O)CSc2nc(C)cc(C)c2C#N)c1,CID856154,,,,,,,,,,,0.0,0.0,,,0.0,,
CCOc1ccccc1NC(=O)CSc1nc(N)c(C#N)cc1C#N,CID2868371,,0.0,,0.0,,0.0,,0.0,,0.0,,,,,,,
COC(=O)c1ccc(C(=O)OC)c(NC(=O)CSc2ccccn2)c1,CID1259977,,,,,,,,,,0.0,,,,0.0,,,
COc1cc(NC(=O)CSc2ncccc2C(=O)OC(C)C)cc(OC)c1,CID4296367,,,,,,,,,0.0,0.0,,,,,,,
CC(Sc1ccccn1)C(=O)Nc1ccccc1,CID2939248,,,,,0.0,,,,,,,0.0,0.0,,,,0.0
COCc1cc(C)nc(SCC(=O)Nc2ccc(C)c(C)c2)c1C#N,CID659618,,,,,0.0,,0.0,,0.0,0.0,,,,,,,
O=C(CSc1ccccn1)Nc1ccccc1F,CID2055031,,,,,,,,,,,,,0.0,,,,
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc(S(N)(=O)=O)cc1,CID1844870,,,,,,,,,,,,,,0.0,,,
CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)Nc1cc(OC)ccc1OC,CID644547,0.0,,,,0.0,,0.0,0.0,,,0.0,,,,,,
CCOC(=O)c1ccccc1NC(=O)CSc1nnc(COc2ccccc2C)n1C,CID650937,0.0,,0.0,,,,,,,,,,,,,0.0,0.0
CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1cccc(C(=O)O)c1,CID1303882,,,,,,,,0.0,0.0,,,,0.0,,,0.0,0.0
CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1cc(OC)ccc1OC,CID653650,0.0,,0.0,,0.0,,,,,0.0,,,,,,,
Cn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(S(N)(=O)=O)cc1,CID2218699,,,,,,,,,0.0,0.0,,0.0,,,,,
CCn1c(COc2cccc(OC)c2)nnc1SCC(=O)Nc1ccccc1C(=O)OC,CID650444,,0.0,,,0.0,,,,,,,,,,,0.0,0.0
CCOC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccccc3)n2C)cc1,CID1304072,0.0,,0.0,0.0,0.0,,,,,,0.0,,0.0,,,0.0,0.0
CCn1c(COc2cccc(OC)c2)nnc1SCC(=O)Nc1cccc(OC)c1,CID655092,0.0,0.0,,,0.0,,,0.0,,,0.0,,,,,0.0,0.0
CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1cccc(C(=O)OC)c1,CID655111,0.0,,0.0,,,0.0,0.0,,,,,,0.0,,,0.0,0.0
COC(=O)c1ccccc1NC(=O)CSc1nnc(COc2cccc(OC)c2)n1C,CID655695,,,,0.0,0.0,0.0,,,,,,,,,0.0,0.0,0.0
CCOC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccccc3OC)n2C)cc1,CID1153671,,,0.0,,0.0,,,,,,,,0.0,,,,
CCOC(=O)CN(C(=O)CSc1nnc(COc2ccc(OC)cc2)n1C)c1ccccc1,CID655393,,,,,0.0,,0.0,0.0,,,,,,,,,
CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(S(N)(=O)=O)cc1,CID665270,,0.0,,0.0,,,,,,0.0,0.0,0.0,,,,,0.0
COC(=O)c1cccc(NC(=O)CSc2nnc(COc3cccc(C)c3)n2C)c1,CID647060,0.0,0.0,0.0,,0.0,0.0,,0.0,,,,,0.0,,,0.0,0.0
COc1ccc(Cl)cc1NC(=O)CSc1nnc(COc2ccccc2)n1C,CID655024,0.0,,,0.0,0.0,,0.0,,,,0.0,0.0,,,,,0.0
COC(=O)c1cccc(NC(=O)CSc2nnc(COc3ccccc3)n2C)c1,CID651897,,,,0.0,0.0,,,,,,0.0,,0.0,,,0.0,
COc1ccccc1OCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1C,CID656028,0.0,,,,0.0,0.0,,0.0,,,0.0,,,,,0.0,0.0
CCn1c(COc2cccc(OC)c2)nnc1SCC(=O)Nc1cc(OC)ccc1OC,CID650945,,,0.0,,0.0,0.0,,,,,0.0,,,,,,0.0
CCOC(=O)c1ccccc1NC(=O)CSc1nnc(COc2ccccc2)n1CC,CID652187,0.0,,0.0,,,,,,,0.0,0.0,,,,,,0.0
COC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccccc3)n2C)cc1,CID1290119,,,,0.0,0.0,,,,,,0.0,,,,,0.0,0.0
CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1cc(OC)ccc1OC,CID649453,0.0,,,,0.0,,,,,,,,,,,0.0,
CCOC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccccc3OC)n2CC)cc1,CID650286,,,0.0,,0.0,0.0,,0.0,,,0.0,,0.0,,,,0.0
C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(S(N)(=O)=O)cc1,CID665042,,,,0.0,,,,,0.0,,,0.0,,,,0.0,0.0
COc1ccc(Cl)cc1NC(=O)CSc1nnc(COc2ccccc2)n1N,CID2198419,,0.0,0.0,0.0,0.0,,,,,,,0.0,,,,,
CCOC(=O)c1cccc(NC(=O)CSc2nnc(COc3ccccc3)n2CC)c1,CID655713,0.0,,0.0,,,0.0,,,,,0.0,0.0,0.0,,,0.0,0.0
COc1cc(C)c(Cl)cc1S(=O)(=O)NCc1ccco1,CID850064,,,,,,,,,,0.0,,,,,,,0.0
CC(C)CC(=O)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1,CID860465,,,,,,,,,0.0,,,,,,,,
O=C(O)CN(Cc1ccco1)S(=O)(=O)c1ccc(F)cc1,CID2095446,,,,,,,,,,,,0.0,,,,,
O=C(O)c1ccc(Cl)c(S(=O)(=O)NCc2ccco2)c1,CID2342204,,,,0.0,,,,,,,,,,,,,
CCCNC(=O)CC(NS(=O)(=O)c1ccc(Cl)cc1)c1ccco1,CID3240062,0.0,0.0,,0.0,,,,,,,,,,,0.0,,0.0
Cc1ccc(S(=O)(=O)NCc2ccco2)c(C)c1C,CID654806,,,0.0,,0.0,,0.0,0.0,,,,,,,,,
O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1ccco1,CID676895,,,,,,,,,,,,,,0.0,,,
COC(=O)COc1ccc(S(=O)(=O)NCc2ccco2)cc1Cl,CID1090461,,0.0,,0.0,,,,,,,,,,,,,
Cc1cc(C)c(C)c(S(=O)(=O)NCc2ccco2)c1C,CID898681,,,0.0,,0.0,,0.0,0.0,,,,,,,0.0,,
CCOC(=O)COc1ccc(S(=O)(=O)NCc2ccco2)cc1,CID893527,,,,,,,,,0.0,,,,,0.0,,,
COCCNC(=O)CC(NS(=O)(=O)c1ccc(C)cc1)c1ccco1,CID3235782,,,0.0,,,,,0.0,0.0,,,,,,,0.0,
Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C,CID873011,,0.0,,,0.0,,0.0,,,,,,,0.0,,0.0,
CCOc1cc(C)c(Cl)cc1S(=O)(=O)NCc1ccco1,CID2234459,0.0,,0.0,0.0,,,,,,0.0,,,,,,,
CCOc1ccc(S(=O)(=O)NCc2ccco2)cc1,CID741466,,,,,,,,,,,,,,0.0,,,
CCCCNC(=O)CC(NS(=O)(=O)c1ccc(C)cc1)c1ccco1,CID3238447,,,,,0.0,0.0,,0.0,,,,,0.0,,,0.0,
COCCCNC(=O)CC(NS(=O)(=O)c1ccc(C)cc1)c1ccco1,CID3239172,,0.0,,,,0.0,,,0.0,,,,,,,0.0,
CCC(C)NC(=O)CC(NS(=O)(=O)c1ccc(Cl)cc1)c1ccco1,CID3238922,,,,0.0,0.0,,,,,0.0,,0.0,,,,,
O=C(O)c1cc(S(=O)(=O)NCc2ccco2)c(Cl)cc1Cl,CID2880064,,,,,,,,,,,,,,,,0.0,
CCC(=O)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1,CID860463,,,,,,,,,0.0,,,,,,,,
O=C(O)/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1,CID779298,,,,,,,,,,,,,,,0.0,,
COC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)o1,CID2691830,,,,,,,,0.0,0.0,,,,,0.0,,,0.0
O=C(O)CN(Cc1ccco1)S(=O)(=O)c1ccccc1,CID716043,,0.0,,,,,0.0,,,,,,,,,0.0,
Cc1ccc(S(=O)(=O)NC(CC(=O)O)c2ccco2)cc1,CID3238958,,,,,,,0.0,,,,,,,,,0.0,
COC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccccc1,CID650377,,,,,,,,,0.0,,,,,,,0.0,
COC(=O)COc1ccc(S(=O)(=O)NCc2ccco2)cc1,CID893294,,,,,,,,0.0,0.0,,,,,,,0.0,
COCCCNC(=O)CC(NS(=O)(=O)c1ccc(Cl)cc1)c1ccco1,CID3243793,0.0,,,,,,,,0.0,,,,,,,,
COc1ccccc1-n1nc(C(=O)O)c2ccccc2c1=O,CID3242298,,0.0,,,,,,,,,,,,,,,
CCN(CC)CCCNC(=O)c1nn(-c2cc(OC)cc(OC)c2)c(=O)c2ccccc12,CID3244231,,,,,,,,,,,,,0.0,,,,0.0
COCCNC(=O)CNC(=O)c1nn(-c2ccc(OC)c(Cl)c2)c(=O)c2ccccc12,CID9551209,,,,,,,,,,0.0,,,,,,,
COC(=O)CNC(=O)c1nn(-c2cccc(OC)c2)c(=O)c2ccccc12,CID3244256,,,,0.0,,,,,,,,,0.0,,,,
Cc1nn(-c2ccc(Cl)c(Cl)c2)c(=O)c2ccccc12,CID627678,,,,,,,,,,,,,,,0.0,,
CCN(CC)CCCNC(=O)c1nn(-c2ccccc2OC)c(=O)c2ccccc12,CID3236621,,,0.0,,,,,0.0,,,,,0.0,,,,
CCCCNC(=O)c1nn(-c2ccccc2OC)c(=O)c2ccccc12,CID3245049,,,,,0.0,,,0.0,,,,,,,,,
Cc1nn(-c2ccccc2C(=O)O)c(=O)c2ccccc12,CID678291,,,0.0,,,,0.0,,,,,,,,,,
Cc1nn(-c2ccc(C(=O)O)cc2)c(=O)c2ccccc12,CID678292,,,0.0,,,,0.0,0.0,,,,,0.0,0.0,,,
CCN(CC)CCCNC(=O)CNC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2ccccc12,CID16193117,,,,,,,,,,,,,,,0.0,,
Cc1nn(-c2ccccc2[N+](=O)[O-])c(=O)c2ccccc12,CID955833,,,,,,,,,,,,,,0.0,0.0,,
COc1cccc(-n2nc(C(=O)O)c3ccccc3c2=O)c1,CID3240227,,0.0,0.0,,,,0.0,,,,,,,,,,
O=c1c2ccccc2cnn1-c1ccc(Cl)cc1,CID519224,,,,,,0.0,,,,0.0,,,,0.0,,,
CCOC(=O)CNC(=O)c1nn(-c2ccc(OCC)cc2)c(=O)c2ccccc12,CID3237397,,,,,,,,0.0,0.0,,,,,,,,0.0
CCOc1ccc(-n2nc(C(=O)NCCOC)c3ccccc3c2=O)cc1,CID3240830,,,,,,,,,0.0,,,,,,,,
COc1ccc(-n2nc(C(=O)O)c3ccccc3c2=O)c(OC)c1,CID3241095,,,,0.0,,,,,,,0.0,,,,,,
Cc1nn(-c2ccc(Cl)cc2Cl)c(=O)c2ccccc12,CID745846,,,,,,,,,,,,,,,0.0,,
COc1ccc2cnn(-c3ccccc3C)c(=O)c2c1OC,CID658340,0.0,,,,0.0,,0.0,,,,,,,0.0,0.0,0.0,
CCOC(=O)CNC(=O)c1nn(-c2cccc(OC)c2)c(=O)c2ccccc12,CID3243668,,,,,,,,,,,,,0.0,,,,
CCN(CC)CCCNC(=O)c1nn(-c2cccc(OC)c2)c(=O)c2ccccc12,CID3240139,,,,,,,,,,,,,,,,,0.0
COc1ccc2cnn(-c3ccccc3)c(=O)c2c1OC,CID715336,,,0.0,,,,,0.0,0.0,,,,0.0,,0.0,0.0,
COc1ccc2cnn(-c3ccc(C)cc3)c(=O)c2c1OC,CID920311,,,,,,0.0,,,0.0,,,,,0.0,,,
COCCNC(=O)c1nn(-c2cc(OC)cc(OC)c2)c(=O)c2ccccc12,CID3245020,,,0.0,,,,0.0,0.0,,,,,0.0,,,,
O=c1c2ccccc2cnn1-c1ccc(Br)cc1,CID1478661,,,,,,,,,0.0,,0.0,,,,,,
Cc1nn(-c2cc(Cl)ccc2N)c(=O)c2ccccc12,CID672421,0.0,0.0,0.0,0.0,,,0.0,,,0.0,,,,,0.0,0.0,0.0
CCN(CC)CCCNC(=O)c1nn(-c2ccc(OC)cc2OC)c(=O)c2ccccc12,CID3242266,,,,,,,,,0.0,,0.0,,,,,,0.0
CCCCOC(=O)n1c(=O)oc2ccccc21,CID657801,,0.0,,0.0,,,,,0.0,,,,0.0,,,0.0,
CC(C)NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C,CID5307148,,,0.0,,,,,0.0,,,,,,,,,
COC(=O)n1c(=O)oc2ccccc21,CID648052,,,0.0,,,,,,,,,,,,,,
O=c1[nH]c2cc(Cl)ccc2o1,CID2733,,,,,,,,,,,,,,0.0,,,
CC(C)OCCCNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C,CID5309060,,,,0.0,,,,0.0,,,,,,,,,
COCCN(CCOC)C(=O)CCn1c(=O)oc2ccccc21,CID3163751,,,,,,,,,,,,,0.0,,,,
CCCN(CCC)CCCNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C,CID3242629,,,0.0,,,,0.0,0.0,,,,,,,,0.0,
Cc1ccc2oc(=O)n(CC(=O)O)c2c1,CID2145484,,0.0,,0.0,,,,,,,,,0.0,,,,
Cc1ccc2oc(=O)n(CC(=O)OC(C)C)c2c1,CID972122,,,,,,,,,0.0,,,,,0.0,,,
CCCCNC(=O)n1c(=O)oc2ccc(Cl)cc21,CID598161,,,,,,,,,,0.0,,,,,,,
COCCNC(=O)CCn1c(=O)oc2ccccc21,CID3243333,,,,,,0.0,,,,,,,,,,,
CCCCCNC(=O)CCn1c(=O)oc2ccccc21,CID3237708,,,0.0,,,,,0.0,,,,,0.0,,,0.0,0.0
CCOC(=O)Cn1c(=O)oc2ccc(C)cc21,CID2056744,,,,,,,,,,,,,,0.0,0.0,,
N#CCCCn1c(=O)oc2ccccc21,CID590703,,,,,,,,,,,,,,0.0,,,
CCOC(=O)n1c(=O)oc2ccc(Cl)cc21,CID212810,,,,,,,,,,0.0,,,,,,,
CC(C)(C)NC(=O)Cn1c(=O)oc2ccc(Cl)cc21,CID949731,0.0,0.0,,,,,,,,0.0,,,,0.0,,0.0,0.0
NC(=O)Cn1c(=O)oc2ccccc21,CID2062124,,0.0,,,,,,0.0,,,,0.0,,,,,
CCCNC(=O)Cn1c(=O)oc2ccccc21,CID3669812,,,,,,,,,,,0.0,,,,0.0,,
COC(=O)Cn1c(=O)oc2ccc(C)cc21,CID1090485,,,,,,,,,,,,,,0.0,,,
CCCN(CCC)CCNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C,CID3243315,,,0.0,,,,,,0.0,,,,,,,0.0,
CCOCCCNS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)OCC,CID3236201,,,,,0.0,,,0.0,,,,,,,,,
CCCCN(CC)CCNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C,CID3239987,,,,,,,,,,0.0,,,,,,,
CCCCOC(=O)Cn1c(=O)oc2ccc(C)cc21,CID1819917,,,,,,,,,0.0,,,0.0,,,0.0,0.0,
CCCCCOC(=O)Cn1c(=O)oc2ccccc21,CID1819916,,0.0,,,,,,,,,,,,,,0.0,
NC(=O)CCn1c(=O)oc2ccccc21,CID825415,,0.0,,0.0,,,,0.0,,,,0.0,,,,,
CC(C)OC(=O)Cn1c(=O)oc2ccccc21,CID654527,,,,,,,,0.0,,,,,,0.0,,,
CCCOc1ccc(-c2nnn(CC(=O)Nc3cccc(C(=O)OC)c3)n2)cc1,CID645014,0.0,0.0,,,,,,0.0,,,0.0,,,,,,
CCOC(=O)c1ccc(NC(=O)Cn2nnc(-c3ccccc3F)n2)cc1,CID1333416,,,,,,,,,,,,,,,0.0,,
COC(=O)c1ccccc1NC(=O)Cn1nnc(-c2ccc(OC)cc2)n1,CID1128375,,,,,,,,,,0.0,,,,,,,
COc1cccc(NC(=O)Cn2nnc(-c3ccccc3N)n2)c1,CID652080,,,0.0,,,,0.0,,,0.0,,,,,,,0.0
CCN(CC)c1ccc(NC(=O)Cn2nnc(-c3cccc(OC)c3OC)n2)c(C)c1,CID648837,0.0,,,0.0,,,,,,,,0.0,,,,,
COc1cccc(-c2nnn(CC(=O)Nc3ccc(C)cc3C)n2)c1OC,CID652944,0.0,0.0,,,,0.0,,,,,,,,,,,
CCOC(=O)c1ccc(NC(=O)Cn2nnc(-c3ccccc3C)n2)cc1,CID589347,,0.0,,,,,,,,,,,,,0.0,,
COc1cc(NC(=O)Cn2nnc(-c3ccccc3N)n2)cc(OC)c1,CID651876,,0.0,0.0,0.0,,,0.0,,,,,,,,,,0.0
CCOc1ccc(NC(=O)Cn2nnc(-c3ccccc3F)n2)cc1,CID647795,,0.0,,,,,,0.0,,,,0.0,,,,,
CCCC(=O)Nc1ccccc1-c1nnn(CC(=O)Nc2ccc(OCC)cc2)n1,CID645244,,,,,,,,,,,,0.0,0.0,,,,
CCOc1ccc(-c2nnn(CC(=O)Nc3cccc(OC)c3)n2)cc1OCC,CID654849,0.0,,,,,,,0.0,,0.0,,0.0,0.0,,,,
CCOC(=O)c1ccc(NC(=O)Cn2nnc(-c3ccccc3)n2)cc1,CID1267856,,,0.0,,,0.0,0.0,,,,,,0.0,,,,
COc1ccc(Cl)c(NC(=O)Cn2nnc(-c3ccccc3N)n2)c1,CID654869,0.0,,,0.0,,,0.0,,,,,,,,,,
CCCC(=O)Nc1ccccc1-c1nnn(CC(=O)Nc2ccc(OC)cc2)n1,CID646949,,0.0,,0.0,,,,,,,0.0,,,,,,
COC(=O)c1cc(OC)c(OC)cc1NC(=O)Cn1nnc(-c2ccccc2Cl)n1,CID1506126,,,,,,,0.0,,0.0,,,,,,,,
CCOc1ccc(-c2nnn(CC(=O)Nc3cc(OC)cc(OC)c3)n2)cc1OCC,CID644700,0.0,,0.0,,,,0.0,0.0,,0.0,0.0,,0.0,0.0,,,
CCOc1ccc(-c2nnn(CC(=O)Nc3cc(OC)ccc3OC)n2)cc1OCC,CID652799,0.0,,0.0,,,,0.0,,,,,0.0,0.0,,,,
COc1ccc(NC(=O)Cn2nnc(-c3ccccc3F)n2)cc1,CID579006,,0.0,0.0,0.0,,,0.0,,,,,,0.0,0.0,,,
CCOC(=O)c1ccc(NC(=O)Cn2nnc(-c3ccc(C)cc3)n2)cc1,CID1266768,,0.0,,,,,0.0,,,,,0.0,0.0,,,,
CCOc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)CC)n2)cc1,CID646108,,0.0,,,,,,,,,,,,,,,
COc1ccc(NC(=O)Cn2nnc(-c3ccccc3F)n2)cc1Cl,CID645151,0.0,0.0,0.0,,,,0.0,,,,,,0.0,,,,
CCOc1ccc(-c2nnn(CC(=O)Nc3ccccc3OC)n2)cc1OCC,CID652916,0.0,,,0.0,,,,,,,,,0.0,,,,
CCOC(=O)c1ccc(NC(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1,CID579011,,0.0,,,,,,,,,,,,,,,
COc1ccc(-c2nnn(CC(=O)N(CC(=O)NCCC(C)C)c3ccccc3)n2)cc1OC,CID655633,0.0,,,,,,,,,0.0,,,,,,,
CCOc1ccccc1NC(=O)Cn1nnc(-c2ccc(OCC)c(OCC)c2)n1,CID649643,0.0,,,,,,0.0,,,,,,0.0,0.0,,,
COc1ccc(NC(=O)Cn2nnc(-c3ccccc3N)n2)cc1OC,CID656361,,0.0,0.0,0.0,,,,,,0.0,0.0,,,,,,
Cc1cc(Cl)ccc1OCC(=O)N1C(C)CCCC1C,CID2941235,0.0,,,,,,,,,0.0,,,,0.0,,,
CCOC(=O)C1CCN(C(=O)COc2ccc(Br)cc2)CC1,CID1294757,0.0,,,,,,,,0.0,,,0.0,,,,,
Cc1ccc(OCC(=O)N2CCCCC2)c(Br)c1,CID795328,0.0,,,,,,,,,,0.0,,,,,,
COc1cc(CO)cc(Br)c1OCC(=O)N1CCCCC1,CID652246,0.0,,,,,,,,,,,,,,0.0,,0.0
COC(=O)C1CCN(C(=O)COc2ccc(Cl)cc2)CC1,CID798758,,0.0,,0.0,,,,,,,0.0,,,,,0.0,0.0
CCOC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2Cl)CC1,CID2978755,,,,0.0,,,0.0,,,,,,,,,,
CCOC(=O)C1CCCN(C(=O)C(C)Oc2ccc(Cl)cc2Cl)C1,CID2940056,,,,,,,0.0,,,,,,,,,,
O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N1CCCCC1,CID972424,,,,,,,,,,,,,,0.0,,,
CCC(Oc1ccccc1)C(=O)N1CCC(C(N)=O)CC1,CID2944710,,0.0,,0.0,,,,,0.0,,,0.0,0.0,,,,0.0
CCOC(=O)C1CCN(C(=O)COc2cc(C)c(Br)cc2C)CC1,CID2233577,,,,,,,0.0,,0.0,,0.0,0.0,,,0.0,,0.0
CCOc1cc(CO)ccc1OCC(=O)N1CCCCC1,CID655036,,,,0.0,,,0.0,0.0,,,,0.0,0.0,,,0.0,
CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCC(C(=O)OCC)CC2)cc1,CID2954878,,,0.0,,,,0.0,0.0,0.0,,,0.0,,,,0.0,
CCOC(=O)C1CCN(C(=O)COc2ccc(Cl)cc2)CC1,CID950191,,,,,,,,,,,,,,0.0,,,
Cc1cc(Cl)ccc1OCC(=O)N1CCC(C(N)=O)CC1,CID748758,,,,,,0.0,,,,,,,,,,,
O=C(COc1ccc(Cl)cc1)N1CCCCC1,CID742653,,,,,,,,,,0.0,,,,0.0,0.0,,
CC1CCN(C(=O)COc2ccccc2F)CC1,CID806175,,,,0.0,,,,,,,,,0.0,,,,
COc1ccc(OC(C)C(=O)N2CCC(C)CC2)cc1,CID2952398,,,,,,,,,0.0,,0.0,,,,,,
CCOC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2)CC1,CID1084699,,,,,,,,0.0,0.0,0.0,,,,,,0.0,
CCOC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)NC(C)(C)C)cc2)CC1,CID2950439,,,,,,,,,0.0,,0.0,,,,,0.0,
CCOC(=O)C1CCN(C(=O)COc2cccc(C)c2)CC1,CID892424,,,,,,,0.0,,,,,,0.0,,,0.0,
CCOC(=O)C1CCN(C(=O)COc2cc(C)c(Br)c(C)c2)CC1,CID1328530,0.0,,,,,,0.0,,0.0,,0.0,,,,,,0.0
Cc1cc(Cl)ccc1OCC(=O)N1CCCCC1,CID774159,,,,,,,,,,0.0,,,0.0,0.0,,0.0,0.0
O=C(O)C1CCN(C(=O)COc2ccc(Br)cc2)CC1,CID2462231,,,,,,,,,,,,,,,0.0,,
CCC(Oc1ccccc1)C(=O)N1CC(C)CC(C)C1,CID2930941,,,,,,,,0.0,,,,,,,0.0,,
Cc1cc(Cl)ccc1OCC(=O)N1CC(C)CC(C)C1,CID2931607,0.0,,0.0,0.0,,,0.0,,,,,,,,,,
CCC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCCCC2)cc1,CID3155670,,,,,,,,,,,0.0,,,,,,
COc1ccc(OCC(=O)N(C)Cc2ccccc2)cc1,CID887048,,,,0.0,,,0.0,,0.0,,0.0,,,0.0,,0.0,
O=C(COc1ccc([N+](=O)[O-])cc1)NCc1ccccc1,CID2787239,,,,,,0.0,,,,,,,,,,,
CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1ccc(S(N)(=O)=O)cc1,CID1306422,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(CC(=O)O)NC(=O)COc2ccccc2OC)cc1OC,CID3245673,,,,,,0.0,,,,,,,,,,,
COc1ccc(CNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1,CID887498,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(CC(=O)O)NC(=O)COc2ccc(C)cc2)cc1OC,CID4239277,,,,,,,,,,,,,,,0.0,,
CC(=O)Nc1ccc(OCC(=O)NC(C)c2ccc(F)cc2)cc1,CID4877687,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(C(CC(=O)O)NC(=O)COc2ccccc2)cc1OC,CID3380102,,,,,,,,,,,,,,,0.0,,
CC(C)NS(=O)(=O)c1ccc(OCC(=O)N(C)Cc2ccccc2)cc1,CID1316969,,,,,,,,,,0.0,0.0,,,,,,
Cc1cc(OCC(=O)NCc2ccccc2)cc(C)c1Cl,CID878160,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(CC(=O)O)NC(=O)COc2ccccc2)cc1OC,CID3239444,,0.0,,,,,,0.0,,,,,,,,,
CN(Cc1ccccc1)C(=O)COc1ccccc1,CID809335,,,,,,,,,0.0,0.0,0.0,,,,,,
Cc1cc(CNC(=O)COc2ccc(F)cc2Cl)cc(C)c1O,CID2539740,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(CC(=O)O)NC(=O)COc2ccccc2)cc1,CID3241985,,,,,,,,0.0,,,,,0.0,,,0.0,0.0
O=C(COc1ccccc1)NCc1ccccc1,CID309669,,,,,,,,,0.0,0.0,0.0,,,,,,
CC(C)NS(=O)(=O)c1ccc(OCC(=O)NCc2ccccc2)cc1,CID2111388,,,,,0.0,,0.0,0.0,,,,,,,,,
CC(NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccccc1,CID2792230,,,,,,,,,,,,,,,0.0,,
COc1cc(CNCCN(C)C)c(Br)cc1OCC(=O)NCc1ccccc1,CID9540934,,,,,,,,,,,,,,,0.0,,
CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCc2ccccc2)cc1,CID2320479,0.0,0.0,0.0,0.0,,0.0,,,,0.0,,,,,,,
COc1ccc(CNC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2)cc1,CID1005958,,,,0.0,0.0,,0.0,0.0,0.0,,,,,,,0.0,
COc1ccccc1CNC(=O)COc1ccc([N+](=O)[O-])cc1,CID977884,,,,,,,,,,,,,,,0.0,,
COc1cc(CNCC(C)C)c(Br)cc1OCC(=O)NCc1ccccc1,CID979927,,,,,,,,,,,,0.0,,,,,
CC(=O)Nc1ccccc1OCC(=O)NC(C)c1ccccc1,CID4877389,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(C(CC(=O)O)NC(=O)COc2ccccc2)cc1,CID3237068,,,,,,0.0,,0.0,,,0.0,,,,0.0,0.0,
Cc1ccc(CNC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2)cc1,CID1319379,,,,,,,,,,,0.0,,,,,,
COc1ccccc1CNC(=O)COc1ccccc1OC,CID868027,,,,,,,,0.0,,,0.0,,,,,0.0,0.0
N#CC1=C2SCN(c3ccccc3)CN2C(=O)CC1c1ccccc1Cl,CID5308643,,0.0,0.0,,,0.0,,,,,,,,,,,
COc1cccc(C2CC(=O)N3CN(c4ccccc4F)CSC3=C2C#N)c1,CID4890630,0.0,,,0.0,,,,,,,,,,,,,
COc1cc(OC)c(C2CC(=O)N3CN(c4ccccc4)CSC3=C2C#N)cc1OC,CID667069,0.0,,,0.0,0.0,0.0,,,,,,,,,,,
COc1ccc(C2CC(=O)N3CN(c4ccccc4F)CSC3=C2C#N)cc1OC,CID5307736,0.0,,,,,0.0,,,,,,,0.0,,,0.0,
COc1ccc(OC)c(C2CC(=O)N3CN(c4ccccc4F)CSC3=C2C#N)c1,CID4859236,,,,,,,,,,0.0,,,,,,,0.0
COc1ccc(N2CSC3=C(C#N)C(c4cccc(OC)c4OC)CC(=O)N3C2)cc1,CID3160897,,,0.0,,,0.0,0.0,,,,,,,,,,
COc1cc(C2CC(=O)N3CN(c4ccccc4C)CSC3=C2C#N)cc(OC)c1OC,CID666507,0.0,,0.0,0.0,,,,,,,,,,,,,
N#CC1=C2SCN(c3ccccc3)CN2C(=O)CC1c1c(Cl)cccc1Cl,CID5309561,0.0,,,,,,,,,,,,,,,,
N#CC1=C2SCN(c3ccc(F)cc3)CN2C(=O)CC1c1cccc(F)c1,CID5308664,0.0,,,,,,,,,,,,,,,,
COc1cc(OC)c(C2CC(=O)N3CN(c4ccccc4C)CSC3=C2C#N)cc1OC,CID666938,0.0,,,,,,,,,,,,,,,,
COc1ccc(N2CSC3=C(C#N)C(c4ccc(OC)c(OC)c4)CC(=O)N3C2)c(OC)c1,CID4891533,,,,,,0.0,,,,,,,,,,,
COc1ccc(C2CC(=O)N3CN(c4ccc(C)c(Cl)c4)CSC3=C2C#N)cc1,CID5307661,0.0,0.0,,,,,,,,,,,,,,,
CCc1ccccc1N1CSC2=C(C#N)C(c3cc(OC)c(OC)cc3OC)CC(=O)N2C1,CID666782,0.0,0.0,0.0,,,,,,,,,,0.0,,,,
COc1ccc(OC)c(C2CC(=O)N3CN(c4ccccc4)CSC3=C2C#N)c1,CID4889053,,,,,0.0,,,,,,,,,,,,0.0
COc1cc(OC)c(C2CC(=O)N3CN(c4ccc(C)cc4)CSC3=C2C#N)cc1OC,CID666736,0.0,,,,0.0,,,,,,,,,,,0.0,
CCOC(=O)c1ccc(N2CSC3=C(C#N)C(c4ccc(OC)cc4OC)CC(=O)N3C2)cc1,CID5309044,,,,,,,,0.0,,0.0,,,,,,,
CCc1ccccc1N1CSC2=C(C#N)C(c3ccccc3F)CC(=O)N2C1,CID5309816,,,0.0,,,0.0,0.0,,,,,,,,,,
CCOc1ccc(N2CSC3=C(C#N)C(c4ccccc4Cl)CC(=O)N3C2)cc1,CID5309663,0.0,,,,1.0,,0.0,,,,,,0.0,,,,
COc1ccc(C2CC(=O)N3CN(c4ccc(C)c(Cl)c4)CSC3=C2C#N)cc1OC,CID5307404,0.0,0.0,0.0,,,0.0,,,,,,0.0,,,,,
COc1ccc(OC)c(C2CC(=O)N3CN(c4cccc(Cl)c4C)CSC3=C2C#N)c1,CID5308608,0.0,0.0,,,,0.0,0.0,,,,,,,,,,
CCc1ccc(C2CC(=O)N3CN(c4ccccc4)CSC3=C2C#N)cc1,CID5308938,0.0,0.0,,,,0.0,,,,,,,,,,0.0,
COc1ccc(OC)c(C2CC(=O)N3CN(c4ccc(C)c(Cl)c4)CSC3=C2C#N)c1,CID5307945,0.0,0.0,,0.0,,0.0,,,,,0.0,,,0.0,,,
COc1ccc(OC)c(C2CC(=O)N3CN(c4cccc(Cl)c4)CSC3=C2C#N)c1,CID4889592,0.0,0.0,0.0,,0.0,,0.0,,,,,,,,,,0.0
COc1ccc(N2CSC3=C(C#N)C(c4cc(OC)c(OC)cc4OC)CC(=O)N3C2)c(OC)c1,CID4888749,0.0,,,0.0,1.0,0.0,,,,,,,,,,,
COc1cccc(C2CC(=O)N3CN(c4cccc(Cl)c4C)CSC3=C2C#N)c1OC,CID5307344,0.0,,,,,,,,,,,,,,,,
COc1ccc(N2CSC3=C(C#N)C(c4cc(OC)ccc4OC)CC(=O)N3C2)c(OC)c1,CID4896058,,,,0.0,,0.0,,,,0.0,,0.0,,,,,
CC(=O)c1cnc2nc(C)nn2c1C,CID666677,,,,0.0,,,,0.0,,,,,,,,,
COC(=O)c1nc2nc(C)cc(C(F)(F)F)n2n1,CID646869,,,,,,,,,0.0,,,,,,,,
CCCCSc1cc(C)nc2ncnn12,CID2238103,,,,0.0,,,,,,,,,,,,,
CCCNC(=O)c1nc2ncc(Br)cn2n1,CID650648,,,,,,,,,0.0,,,,,,,0.0,0.0
Cc1nc2ncnn2c(C)c1CCC(=O)O,CID1092114,,,0.0,0.0,,,,,,,,,,,,,
CCOC(=O)CCc1c(C)nc2ncnn2c1C,CID3241524,,0.0,,,,,0.0,,,,,,0.0,,,,
C=CCSc1nc2nc(C)cc(C)n2n1,CID1818173,,,,,,,,,,,,,0.0,,,,
CCCCNC(=O)c1nc2ncc(Br)cn2n1,CID2058779,0.0,,,,,,,,0.0,,,,,,,0.0,0.0
CCOC(=O)CSc1nc2nc(C)cc(C)n2n1,CID714429,,,,0.0,,,,,,0.0,,,,,,,
CCCCNC(=O)CCSc1nc2nc(C)cc(C)n2n1,CID3235820,,0.0,,0.0,,,,,,,,,,,,,
COC(=O)CSc1nc2nc(C)cc(C)n2n1,CID713782,,,,0.0,,,,,,0.0,,,,,,,
CCOC(CNC(=O)CCc1c(C)nc2ncnn2c1C)OCC,CID9551404,,,,,,,,,,,0.0,,,0.0,0.0,,
CC(=O)c1cnc2nc(C(F)(F)F)nn2c1C,CID2041236,,,,,,,,,0.0,,,,,,,0.0,
Cc1cc(C)n2nc(SCC(=O)N(C)C)nc2n1,CID2570537,,,,,,,,,,,,0.0,,,,,
Cc1cc(C)n2nc(C(=O)NC(C)(C)C)nc2n1,CID2088460,,,,,,0.0,,,,,,,,,,,
C=C(C)CSc1nc2nc(C)cc(C)n2n1,CID2146826,,0.0,,,,,,,,,0.0,,,,,,
CCOC(=O)CC(=O)CSc1nc2nc(C)cc(C)n2n1,CID2146825,,0.0,,,,,,,,,,,,,,,0.0
Cc1cc(C)n2nc(S(=O)(=O)N(CC(C)C)CC(C)C)nc2n1,CID714971,,,,,,,,,,,,,0.0,,,,
Cc1cc(C)n2nc(SCC#N)nc2n1,CID2057157,,0.0,,0.0,,,,,,,,,,,,,
Cc1cc(C)n2nc(CC(=O)O)nc2n1,CID774409,,,,,,,,,,,,,,0.0,,,
C#CCNc1c(C)c(C)nc2ncnn12,CID653352,,0.0,,,,,0.0,,,0.0,0.0,0.0,,,,,
Cc1cc(C)n2nc(SCC(=O)N(C(C)C)C(C)C)nc2n1,CID2587038,,0.0,,,,,,,,,,,0.0,,0.0,,
C#CCNc1cc(C)nc2ncnn12,CID645877,,,,0.0,,,,,,,,,,,,,
CCSc1nc2nc(C)cc(C)n2n1,CID713783,,,,,,,,,,0.0,,,,,,,
CCOC(CNC(=O)CCc1c(C)nc2nc(C)nn2c1C)OCC,CID9551397,,,,,,,,,,,0.0,,,,,,
CCCCCCNC(=O)Cc1nc2nc(C)cc(C)n2n1,CID3238572,,,,,,,,,,,,,0.0,,,0.0,
CCCOc1ccc(C(=O)NCc2cccnc2)cc1,CID648339,,0.0,0.0,,0.0,,,0.0,,0.0,,,,,,0.0,
O=C(NCc1cccnc1)c1ccc(Cl)cc1[N+](=O)[O-],CID776274,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)NCc2cccnc2)cc1,CID687164,,,,,,,,,,0.0,,,,,,,
COc1c(C)cc(Br)cc1C(=O)NCc1cccnc1,CID961928,,,,,,,0.0,,0.0,,,0.0,,,,0.0,0.0
O=C(NCc1cccnc1)c1ccc(Cl)c(Cl)c1,CID656293,0.0,,,0.0,,,,,,,,,0.0,,,,
COc1ccc(C(=O)NCc2cccnc2)cc1OC,CID597002,,,0.0,,,,0.0,0.0,,0.0,0.0,,0.0,,0.0,,
CSc1ccccc1C(=O)NCc1cccnc1,CID1243089,,,,,,,,,,,,,,,0.0,,
CC(C)Oc1ccc(C(=O)NCc2cccnc2)cc1,CID841534,,,0.0,0.0,0.0,0.0,,,,0.0,,0.0,0.0,0.0,,0.0,
CC(C)(C)c1ccc(C(=O)NCc2cccnc2)cc1,CID669507,0.0,,0.0,,0.0,,,,,,,,,,,0.0,
CCOc1ccc(C(=O)NCc2cccnc2)cc1,CID673607,,,,0.0,0.0,,,0.0,,,,0.0,0.0,,,,
O=C(NCc1cccnc1)c1cccc(C(F)(F)F)c1,CID1244160,,,,0.0,,,,,0.0,,,,,,,,
CC(C)C(=O)Nc1ccc(C(=O)NCc2cccnc2)cc1,CID646902,,0.0,,,,,,,0.0,,,,,,,,
O=C(NCc1cccnc1)c1c(F)c(F)c(F)c(F)c1F,CID2166646,,,,,,,,,0.0,,,,,,,,
O=C(NCc1cccnc1)c1ccccc1Br,CID795627,0.0,,,,,,0.0,,0.0,,,,,,0.0,,0.0
CC(=O)Nc1ccc(C(=O)NCc2cccnc2)cc1,CID669478,,,,,,,,,,,,,,0.0,,,
COc1cc(OC)cc(C(=O)NCc2cccnc2)c1,CID744944,,,,,,,0.0,0.0,,0.0,,0.0,0.0,0.0,,0.0,
CS(=O)(=O)Nc1ccc(C(=O)NCc2cccnc2)cc1,CID1253393,,0.0,,0.0,,,,0.0,0.0,,,0.0,0.0,0.0,,0.0,
O=C(O)c1ccccc1C(=O)NCc1cccnc1,CID654317,,,,,,,,,,,,,,0.0,0.0,,
O=C(NCc1cccnc1)c1cccc(Cl)c1,CID651690,,0.0,,,,,,,,,,,0.0,,,0.0,
CCOc1ccc(C(=O)NCc2cccnc2)cc1[N+](=O)[O-],CID881348,,,,,,,,,,,,,,0.0,,,
CC(C)(C)C(=O)Nc1ccc(C(=O)NCc2cccnc2)cc1,CID1098895,,,,,,,,,0.0,,0.0,,,,,,
O=C(NCc1cccnc1)c1cccc(F)c1,CID1154165,,,,0.0,,,,0.0,,,,,,,,,
COc1cccc(C(=O)NCc2cccnc2)c1,CID786911,,,,0.0,,,,0.0,,,,,0.0,,,0.0,
COc1ccc(Br)cc1C(=O)NCc1cccnc1,CID800458,0.0,,,,,,0.0,,0.0,,,0.0,,,0.0,0.0,0.0
COc1ccc(C(=O)NCc2cccnc2)cc1Br,CID800157,,,,,,,,,0.0,,0.0,0.0,,,,,
CN(c1ccc(C(=O)NCc2cccnc2)cc1)S(C)(=O)=O,CID951578,,0.0,,,,,,,0.0,0.0,0.0,,,,,0.0,
Cc1ccccc1Cn1nnc(C(=O)Nc2cccc(C)c2C)c1N,CID3239048,,0.0,0.0,,,0.0,0.0,0.0,,0.0,0.0,0.0,,,,0.0,
COc1ccccc1NC(=O)c1nnn(Cc2ccccc2)c1NC(C)=O,CID1265417,,,,0.0,,,0.0,,,,,,,,,,
COc1ccc(NC(=O)c2nnn(Cc3ccc(SC)cc3)c2N)c(OC)c1,CID5308266,,,,,,,,,,,,,,,,0.0,0.0
COc1ccc(Cn2nnc(C(=O)Nc3ccc(F)cc3)c2N)cc1,CID709787,,0.0,,,,,0.0,0.0,,,,,,,,,
Cc1ccc(Cn2nnc(C(=O)Nc3cc(C)ccc3C)c2N)cc1,CID3238014,,0.0,0.0,,,,,0.0,,,,0.0,,,,0.0,
COc1cccc(Cn2nnc(C(=O)Nc3ccc(C)cc3)c2N)c1,CID5309874,,,,,,0.0,0.0,,,,,,,,0.0,0.0,
COc1ccc(C)cc1NC(=O)c1nnn(Cc2cccc(F)c2)c1N,CID2134349,,,0.0,0.0,,,,,,,,0.0,,,,,
COc1ccc(NC(=O)c2nnn(Cc3cccc(F)c3)c2N)c(OC)c1,CID2134347,,,,,,,,,,,0.0,,,,,,
Cc1ccc(C)c(NC(=O)c2nnn(Cc3ccccc3)c2N)c1,CID3235821,0.0,,,,,,,,,,,0.0,,,0.0,0.0,0.0
COc1cccc(Cn2nnc(C(=O)Nc3cc(Cl)ccc3OC)c2N)c1,CID2135888,0.0,,,,0.0,0.0,0.0,,,,,,,,,0.0,
COc1cccc(Cn2nnc(C(=O)Nc3cc(C)ccc3OC)c2N)c1,CID2135887,,,0.0,,,,,0.0,,,,,,,,,0.0
CCc1ccc(Cn2nnc(C(=O)Nc3cccc(C)c3)c2N)cc1,CID5308616,,0.0,,,,,,,,,,,,,,0.0,
CCc1ccc(Cn2nnc(C(=O)Nc3ccc(OC)cc3OC)c2N)cc1,CID5309186,,,0.0,,,,,,,,,,,,,0.0,
COc1ccc(OC)c(NC(=O)c2nnn(Cc3ccccc3C)c2N)c1,CID3241438,,,,,,,,,,,,,0.0,,,0.0,
COc1ccc(OC)c(NC(=O)c2nnn(Cc3ccc(Br)cc3F)c2N)c1,CID2135890,,,,,,,0.0,,0.0,,,,,,,,0.0
CCOc1ccc(Cn2nnc(C(=O)Nc3cc(C)cc(C)c3)c2N)cc1,CID5309550,,,0.0,,,,0.0,,,,,,,,,,
CSc1cccc(NC(=O)c2nnn(Cc3ccccc3)c2N)c1,CID3236619,,0.0,0.0,,,,,0.0,,0.0,0.0,,0.0,,0.0,0.0,
COc1cc(NC(=O)c2nnn(Cc3ccc(SC)cc3)c2N)cc(OC)c1,CID5308197,,0.0,,,,,,,,,,,,,,0.0,
CCOc1ccc(Cn2nnc(C(=O)Nc3ccc(OC)cc3OC)c2N)cc1,CID5307359,0.0,0.0,,,,,,0.0,,,,,,,,0.0,
CCOc1ccc(Cn2nnc(C(=O)Nc3cc(OC)cc(OC)c3)c2N)cc1,CID5307545,,,0.0,,,,,0.0,,0.0,,,,,,0.0,
COc1cccc(NC(=O)c2nnn(Cc3ccc(Br)cc3F)c2N)c1,CID5307774,0.0,,,,,,,,0.0,,,,,,,0.0,
O=C(Nc1ccccc1)c1nnn(Cc2ccccc2)c1NC(=O)C(F)(F)F,CID1265416,,,,,,,,,,,,0.0,,,,,
Cc1ccc(C)c(NC(=O)c2nnn(Cc3ccccc3C)c2N)c1,CID3238942,,0.0,0.0,,,,,,,,0.0,0.0,0.0,,,0.0,
Cc1cc(C)cc(NC(=O)c2nnn(Cc3cc(C)ccc3C)c2N)c1,CID5309788,,0.0,,0.0,,,,,,,,,,,,,
Cc1ccc(Cn2nnc(C(=O)Nc3cccc(C)c3C)c2N)cc1,CID3239749,,0.0,,,,,,,,,0.0,,0.0,,,0.0,
CCN(CC)C(=O)Oc1ccc2c(=O)c(-c3ccc(OC)cc3)coc2c1,CID663925,0.0,0.0,0.0,,,,,0.0,,,,,0.0,,0.0,,
COc1ccc2c(=O)c(-c3ccccc3)c(C)oc2c1,CID354368,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1oc2cc(O)ccc2c(=O)c1-c1ccccc1OC,CID5310803,,,,0.0,,,,,,,,,,,,,
COc1ccc(-c2c(C)oc3cc(O)cc(O)c3c2=O)cc1OC,CID5309168,,,0.0,,,,,,,,,,0.0,0.0,,,
O=c1c(-c2ccc(F)cc2)coc2cc(O)ccc12,CID5310669,,,,,,0.0,,,,,,0.0,,,,,
CCN(CC)C(=O)Oc1ccc2c(=O)c(-c3ccc(OC)cc3)c(C)oc2c1,CID663415,0.0,,,0.0,,,0.0,,,,,,,0.0,,,
Cc1ccccc1-c1coc2cc(O)ccc2c1=O,CID5498460,,,,,,,0.0,0.0,,,,0.0,,0.0,,,
CC(C)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1,CID3747,,,,,,,0.0,,0.0,,0.0,,,0.0,,0.0,
COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1OC,CID5748605,,,,,,,,0.0,,,,0.0,,,,,
CCOC(=O)c1oc2cc(OCC(N)=O)ccc2c(=O)c1-c1ccc(OC)c(OC)c1,CID1307470,,,,,0.0,,,,,,,,0.0,,,,
COc1ccc2c(=O)c(-c3ccccc3C)c(C)oc2c1,CID746424,,,,,,0.0,,,,0.0,0.0,0.0,,0.0,,,
CCCCOc1ccc2c(=O)c(-c3ccccc3OC)coc2c1,CID1570675,,,,,,0.0,,,,,,,,,,,
CCN(CC)C(=O)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1,CID664921,,,,,,0.0,0.0,0.0,,,,,,,0.0,,
COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1,CID5280373,,,,,,,,,,0.0,,,,,,,
COc1ccc(-c2coc3cc(OC)cc(OC)c3c2=O)cc1,CID136420,,,,,,,,,,,,,,0.0,,,
CC(C)Oc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1,CID5308744,,,,,,,,0.0,,,,,0.0,,0.0,,
CC(=O)Oc1ccc2c(=O)c(-c3ccccc3)c(C)oc2c1,CID268208,,,,,,,,,,,,,,0.0,0.0,,
COc1ccccc1-c1coc2cc(O)cc(O)c2c1=O,CID5310860,,,0.0,,,,,,,,,,,,0.0,,
O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12,CID5280961,,,,,,,,0.0,,,,,,,,,
COC(=O)COc1ccc2c(=O)c(-c3ccccc3OC)coc2c1,CID710528,,,,,,,,,,,,,,,0.0,,
CCOC(=O)COc1ccc2c(=O)c(-c3ccccc3OC)coc2c1,CID1177125,,,,,,,,,,,,,,,0.0,,
Cc1oc2c(O)c(O)ccc2c(=O)c1-c1ccccc1,CID5310534,,,,0.0,,,,,,,,,,,,,
COc1ccc2c(=O)c(-c3ccc(OC)c(OC)c3)coc2c1,CID628528,,,,,,,,,,,,,,0.0,,,
O=c1c(-c2ccccc2)coc2cc(O)ccc12,CID5376891,,,,,,,,,,,,,,0.0,,,
O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12,CID5281708,,,,,,,,0.0,,,,,,,,,
COc1ccc(N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)cc1,CID1329774,,,,,,,,,,0.0,,,,,,,
Cc1ccc(C(C)C)c(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1,CID2889310,,,,,,0.0,,,,,,,,,,,
CC(=O)c1cc(F)c(N2CCN(C(=O)COc3ccc(F)cc3)CC2)cc1C,CID1077636,,,,,,,,,,,0.0,,,,,,
Cc1ccc(Cl)cc1N1CCN(C(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2)CC1,CID1296154,0.0,,0.0,0.0,0.0,0.0,,,,,,0.0,,,,0.0,0.0
O=C(COc1ccccc1Br)N1CCN(c2ccccc2)CC1,CID2225290,,,,,,,,,0.0,,0.0,0.0,,,,,
COc1ccccc1N1CCN(C(=O)COc2cccc(C)c2C)CC1,CID1296741,,,,,,,,,,,,,,,0.0,,
COc1ccccc1N1CCN(C(=O)COc2ccc(Cl)cc2Br)CC1,CID1367143,0.0,,,,,,,,,,0.0,,,,,,
O=C(COc1ccccc1Cl)N1CCN(c2ccccc2F)CC1,CID977705,,,,,,,0.0,,,,,,,,,0.0,0.0
COc1ccccc1N1CCN(C(=O)COc2ccc(Cl)cc2)CC1,CID1153594,,,,,,,,,,,,,0.0,,,,0.0
O=C(COc1ccc(Cl)cc1Br)N1CCN(c2ccccc2)CC1,CID2869149,0.0,,,,,,,,,,0.0,,,0.0,,,0.0
COc1ccc(OCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1,CID1310009,,,,,,,,,,,,,,,0.0,,
COc1ccc(N2CCN(C(=O)COc3ccccc3)CC2)cc1,CID798794,0.0,0.0,,,,0.0,0.0,,,,,,0.0,,,,
COc1ccc(N2CCN(C(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)cc1,CID2951236,,,,,,,,,,,0.0,,,,,0.0,
O=C(COc1ccccc1)N1CCN(c2ccccc2)CC1,CID842495,,,,,,0.0,,,,,,,,,0.0,,
COC(=O)c1ccccc1OCC(=O)N1CCN(c2ccc(OC)cc2)CC1,CID7230574,,,,,,0.0,,,,,,,,,,,
Cc1cc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccc1Cl,CID2890562,,,,,,0.0,,,,,,,,,,,
Cc1ccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1C,CID2889129,,,,,,0.0,,,,,,,,,,,
CCC(=O)c1ccc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)c(F)c1,CID2177684,,,,0.0,,,,,,,,,,,,,0.0
COc1ccccc1OCC(=O)N1CCN(c2ccccc2OC)CC1,CID987926,,,0.0,,,,,,,,,,,,,,
O=C(COc1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1,CID716264,,,0.0,,,,0.0,,,,,,,,,,0.0
COc1ccccc1N1CCN(C(=O)COc2ccc(C)cc2Br)CC1,CID1370228,0.0,,,,,,,,,,,,,,,0.0,0.0
CC(=O)c1ccc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)c(F)c1,CID605896,,,,,,,,,,,,,,,,,0.0
COC(=O)c1ccccc1OCC(=O)N1CCN(c2ccc(Cl)cc2)CC1,CID1211604,,,,,,0.0,,,,,,0.0,,,,,
COC(=O)c1ccccc1OCC(=O)N1CCN(c2ccc(F)cc2)CC1,CID1211603,,,,,,,,,,,,,,0.0,,,
O=C(COc1ccc(Br)cc1)N1CCN(c2ccccc2)CC1,CID1363799,,,,,,,,,0.0,,0.0,0.0,,,0.0,,
CSc1ccc(CNc2ccccn2)cc1,CID3236190,,,,0.0,0.0,,,,,0.0,,,0.0,,,,0.0
Clc1cccc(NCc2ccccc2)n1,CID2405403,,,,,,,,,,,,,,,0.0,,
CN(C)c1ccnc(NCc2ccccc2)c1C#N,CID746928,,,,,,0.0,,,,,,0.0,,,,0.0,
Cc1cccc(C(C)Nc2ccc([N+](=O)[O-])cn2)c1,CID3504403,,,,,,0.0,,,,,,,,,,,
Oc1ccccc1CNc1ccc(Br)cn1,CID951194,,,,,,,,,,,,0.0,,,,,
Cc1cc(N(C)C)c(C#N)c(NCc2ccccc2)n1,CID660897,,,0.0,,,,,0.0,,,,0.0,,,,0.0,
Cc1cccc(NCc2ccccc2O)n1,CID653133,,,,0.0,,,0.0,,,0.0,,0.0,,,,,
CCCC(C)C(=O)N(Cc1ccccc1)c1ccccn1,CID3745892,,,,,,,,,0.0,,,,,,,,
CC(Nc1ccc(Br)cn1)c1cc(Cl)ccc1O,CID2947289,,,,,,,,,,,,,,,,0.0,
CC(C)C(=O)N(Cc1ccccc1)c1ccccn1,CID669246,,,,,,,,,0.0,,,,,,,,
COCC(=O)N(Cc1ccccc1)c1ccccn1,CID798237,,0.0,,,,,,,0.0,,,,,0.0,0.0,0.0,
COC(=O)c1cc(C#N)c(NCc2ccc(Cl)cc2Cl)nc1C,CID2769101,,,,,,,,,,,,,,,0.0,,
COc1cccc(CNc2ccc(Br)cn2)c1O,CID661571,0.0,,,,,,,,,,0.0,0.0,,,,,0.0
Cc1cccc(NCc2cc(Cl)ccc2O)n1,CID889156,,,,,,,,,,0.0,,,,,,,
CS(=O)(=O)N(Cc1ccccc1)c1ccccn1,CID743396,,,0.0,0.0,,0.0,,,,,,0.0,0.0,,,,0.0
COC(=O)c1cc(C#N)c(N(C)Cc2ccccc2)nc1C,CID2769097,,,,,,,,,,0.0,,,,0.0,0.0,,
CC(=O)c1cc(C#N)c(N(C)Cc2ccccc2)nc1C,CID2769099,,,,,,,,,,,,,,,0.0,,
CCN(CC)c1ccc(CNc2ccc(Br)cn2)cc1,CID975753,0.0,,,,,,,,0.0,,0.0,,,,0.0,0.0,0.0
CCOC(=O)c1cc(C#N)c(NCc2ccccc2)nc1C,CID663782,0.0,0.0,,,0.0,0.0,,,0.0,,,,0.0,,0.0,,
Cc1ccc(O)c(CNc2ccccn2)c1,CID649046,,,,0.0,,0.0,0.0,,,,,0.0,,,,0.0,
CCC(=O)N(Cc1ccccc1)c1ccccn1,CID2951590,,,,,,,,,0.0,,,,,,,,
COC(=O)c1cc(C#N)c(NCc2ccccc2)nc1C,CID1471725,,,,,,,,,0.0,,,,,,,,
CCN(CC)S(=O)(=O)c1ccc(N(C)Cc2ccc(C(F)(F)F)cc2)nc1,CID4878143,,,,,,,,,,,,0.0,,,,,
Oc1ccc(Cl)cc1CNc1ccc(Br)cn1,CID888841,,,,,,,,,,,,,,,,0.0,
CCN(CC)S(=O)(=O)c1ccc(NCc2ccccc2)nc1,CID829837,,0.0,,,0.0,,0.0,0.0,,0.0,,,,,0.0,0.0,
Cc1ccc(-c2nnc3ccc(SC(C)C(=O)O)nn23)cc1,CID5310097,,,,0.0,,,,,,,,,,,,,
CCOC(=O)C(C)Sc1ccc2nnc(-c3ccc(F)cc3)n2n1,CID3244197,,,0.0,0.0,0.0,0.0,,,,,,,,,,0.0,
CCSc1ccc2nnc(-c3ccc(F)cc3)n2n1,CID3238673,,,,0.0,,,,,,,,,,,,0.0,0.0
COC(=O)C(C)Sc1ccc2nnc(-c3ccc(F)cc3)n2n1,CID3239914,,,0.0,,,,,,,,,,,,,,
COC(=O)CSc1ccc2nnc(-c3ccc(F)cc3)n2n1,CID3242055,,,,,,0.0,,,,,,,,,,0.0,
CCOc1ccc(-c2nnc3ccc(SC)nn23)cc1,CID3241878,,,,,,0.0,,,,,,,,,,,
CCOC(=O)CSc1ccc2nnc(-c3ccccc3)n2n1,CID2727434,,0.0,,,,,0.0,,,,0.0,,,,,,
COc1ccc2nnc(-c3ccccc3)n2n1,CID754096,,,,0.0,,0.0,,,,,,,,,0.0,,
COC(=O)CSc1ccc2nnc(-c3ccc(OC)c(OC)c3)n2n1,CID5310513,,,,,,,,0.0,,,,,,,,,
CCOC(=O)CC(=O)CSc1ccc2nnc(-c3cccc(F)c3)n2n1,CID3244831,,0.0,,,0.0,,0.0,,,,,,,,,,
CC(=O)C(Sc1ccc2nnc(-c3ccc(C)cc3)n2n1)C(C)=O,CID5310021,,,,,,,,,,,0.0,,,,0.0,,
CCC(Sc1ccc2nnc(-c3ccc(F)cc3)n2n1)C(=O)O,CID3239288,,,,0.0,,,,,,,,,0.0,,,0.0,
COc1ccc(-c2nnc3ccc(SCC(N)=O)nn23)cc1OC,CID3239045,,,,,,,,,0.0,,0.0,0.0,,,,,
CCC(Sc1ccc2nnc(-c3ccc(F)cc3)n2n1)C(=O)OC,CID3243278,,,,0.0,0.0,,,,,,,,,,,0.0,
CCOC(=O)CC(=O)CSc1ccc2nnc(-c3ccc(F)cc3)n2n1,CID3241469,,0.0,,,0.0,,0.0,,,0.0,,,,,,0.0,
COC(=O)C(C)Sc1ccc2nnc(-c3cccc(F)c3)n2n1,CID5310249,,,,,,,,,,,0.0,,,,,,
COc1ccc(-c2nnc3ccc(SC)nn23)cc1,CID3244602,,0.0,,,,,,0.0,,,,0.0,0.0,,,0.0,0.0
CCOC(=O)CC(=O)CSc1ccc2nnc(-c3ccc(C)cc3)n2n1,CID3242647,,0.0,,,,,,0.0,,,,,,,,0.0,
CCC(Sc1ccc2nnc(-c3ccc(OC)c(OC)c3)n2n1)C(=O)O,CID3236246,,,,,,,,0.0,,,,,,,,,
CC(=O)C(Sc1ccc2nnc(-c3ccc(F)cc3)n2n1)C(C)=O,CID5310354,,,0.0,,,0.0,,,,,,,,,,,
CCOc1ccc2nnc(-c3ccc(Br)cc3)n2n1,CID752129,,,,,,,,,0.0,,,0.0,,,0.0,,
COc1ccc(-c2nnc3ccc(SC(C(C)=O)C(C)=O)nn23)cc1OC,CID3244056,,,,,,,0.0,,,,,,,,,,
CSc1ccc2nnc(-c3cccc(F)c3)n2n1,CID3240544,,0.0,,,,,,,,,,,,,,0.0,
CCSc1ccc2nnc(-c3cccc(F)c3)n2n1,CID3237709,,,,,,,,,,,,,,,,0.0,
CCOC(=O)CC(=O)CSc1ccc2nnc(-c3ccccc3)n2n1,CID3239863,,,,0.0,,,0.0,0.0,0.0,,,,,,,0.0,0.0
CC1CCN(c2ccccc2N)CC1,CID663698,,,,0.0,,,,0.0,,,,0.0,,,,,
CCC(=O)Nc1ccc(N2CCCCC2)cc1,CID732500,,,,,,,,,,,,0.0,,,,,
COC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1,CID345002,,,,,,,,,,,,,,,0.0,,
CC1CCN(c2ccc(C(=O)O)cc2)CC1,CID654809,,,,,,,0.0,,0.0,,0.0,,0.0,0.0,0.0,,
O=[N+]([O-])c1cc(Cl)ccc1N1CCCCC1,CID285318,,,,,,,,,,,,,,0.0,,,
CCCOC(=O)Nc1ccc(N2CCCCC2)cc1,CID651618,,,,,0.0,,0.0,0.0,,,,,,0.0,,0.0,
CCOC(=O)C1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1,CID4969159,,,,,,,,,,,,,,,0.0,,
CC(=O)Nc1ccc(N2CCCCC2)cc1,CID732499,,,,,,,,,,,,0.0,,,,,
CC1CCN(c2cc(N)c(Cl)cc2[N+](=O)[O-])CC1,CID2921571,,,,,,,,,,,,,,0.0,,,
O=C(O)CCC(=O)Nc1ccc(N2CCCCC2)c(C(=O)O)c1,CID648593,,,0.0,,,,,0.0,,,,,0.0,,0.0,,
CC(=O)NC(=S)Nc1ccccc1N1CCCCC1,CID889855,,,,,,,,,,,,,,0.0,,,
CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C(N)=O)CC1,CID2920890,,,,,,,,,,,,,,,0.0,,
Cc1cc(N2CCCCC2)c(F)cc1[N+](=O)[O-],CID2849558,,,,,,,,,,,,0.0,,,,,
CS(=O)(=O)Nc1ccc(N2CCCCC2)c(Cl)c1,CID971464,0.0,,,0.0,,,0.0,,,0.0,,,,,,,
COC(=O)c1ccc(N2CCC(C)CC2)c(N)c1,CID4079217,,,,,,0.0,,,,,0.0,,,,,,
N#Cc1cccc(C#N)c1N1CCC(C#N)CC1,CID1479670,,,,,,,,,,,,,,0.0,0.0,,
Nc1cc(C(=O)O)ccc1N1CCCCC1,CID808767,,,,,,,,,,0.0,,0.0,,,,,
CCCCOC(=O)Nc1ccc(N2CCCCC2)cc1,CID1562745,,,,,,0.0,,,,,,0.0,,,,,
O=C(O)c1ccc(N2CCCCC2)cc1,CID764599,,,0.0,0.0,,,0.0,0.0,0.0,,,,0.0,,,0.0,
CC1CCN(c2ccc([N+](=O)[O-])c(SCCO)c2)CC1,CID2860434,,,,,,0.0,,,,,,,,,,,
N/C(=N\O)c1ccccc1N1CCCCC1,CID2768474,,,,,,,,,,,,,,,0.0,,
Cc1cc(N2CCCCC2)ccc1[N+](=O)[O-],CID8146215,,,,,,,,,,,,,,0.0,,,
CC1CCCN(c2c([N+](=O)[O-])cc(C(=O)O)cc2[N+](=O)[O-])C1,CID16193726,,,,,,,,,,,,,,,0.0,,
CC1CCN(c2ccc(C(=O)O)cc2N)CC1,CID655553,,,,0.0,,,0.0,,,0.0,,0.0,,,,,
CCCC(=O)Nc1ccc(N2CCCCC2)cc1,CID878069,,,0.0,0.0,0.0,,0.0,0.0,,,,,,,,0.0,
CCCn1nc(CC(=O)O)c2ccccc2c1=O,CID645781,,0.0,,0.0,,,,,,,,,,,,,
CC(C)NC(=O)c1n[nH]c(=O)c2ccccc12,CID3237634,,0.0,,,,,,,,,,0.0,,,,,
CCOC(=O)CCc1nn(C)c(=O)c2ccccc12,CID649134,,,0.0,,,,,0.0,,,,,0.0,,,,
CC(C(=O)O)c1n[nH]c(=O)c2ccccc12,CID658971,,,0.0,,,,0.0,0.0,,,,,,,,,
CNC(=O)Cn1nc(C)c2ccccc2c1=O,CID655510,,,,0.0,,,,,0.0,,,0.0,,,,,
COCCNC(=O)Cn1nc(C)c2ccccc2c1=O,CID661173,,,,0.0,,0.0,,,,,,,,,,,
C=Cn1nc(C)c2ccccc2c1=O,CID645881,,,,0.0,,,,0.0,,,,,,,,,
CCn1nc(C(C)C(=O)O)c2ccccc2c1=O,CID2854095,,,,,,,,,,,,,,,0.0,,
CCc1nn(CC(=O)O)c(=O)c2ccccc12,CID656262,,0.0,,,,,,,,,,,0.0,,,,
COc1ccc2cn[nH]c(=O)c2c1OC,CID663985,,,,,,,,,,0.0,,,,,,0.0,
Cc1nn(CC(N)=O)c(=O)c2ccccc12,CID658785,,0.0,,,,,,,,,,0.0,,,,,
CCN(CC)CCNC(=O)CCc1nn(C)c(=O)c2ccccc12,CID659327,,0.0,0.0,,,0.0,,,,,,0.0,,,,,
CCCNC(=O)c1n[nH]c(=O)c2ccccc12,CID2110254,,0.0,,0.0,,,,0.0,,,,,0.0,,,,
CCOC(=O)Cn1nc(CC)c2ccccc2c1=O,CID747900,,,,,,,,,,0.0,,,,0.0,,,
CCOC(=O)Cn1nc(C)c2ccccc2c1=O,CID658863,,,0.0,,,,,,,0.0,0.0,,,,,,
CCOC(=O)Cc1nn(C)c(=O)c2ccccc12,CID655517,,,,0.0,,,,0.0,,,,,,,,0.0,
CCOC(=O)C(C)c1nn(C)c(=O)c2ccccc12,CID2836661,,,,,,,,,,0.0,,,,,,,
CC(C)CCn1nc(C(=O)OC(C)C(=O)NC(N)=O)c2ccccc2c1=O,CID2998997,,0.0,,0.0,,,,0.0,,,,,,,,,
CCC(C)NC(=O)c1n[nH]c(=O)c2ccccc12,CID2998476,,,,,,,,0.0,,0.0,,0.0,0.0,,,,
COC(=O)Cn1nc(C)c2ccccc2c1=O,CID723035,,,,,,,,,,,,0.0,,,,,
CCC(CC)NC(=O)c1n[nH]c(=O)c2ccccc12,CID2097383,,,0.0,0.0,,0.0,,,,0.0,,0.0,,,,,
CCCCn1nc(CC(=O)O)c2ccccc2c1=O,CID2063840,,,0.0,,,,,,,,,,,,,,
CCOC(=O)C(C)c1n[nH]c(=O)c2ccccc12,CID2836660,,,,,,,,0.0,,0.0,,,,,,,
CCN(CC)CCNC(=O)C(C)c1nn(C)c(=O)c2ccccc12,CID3137359,,,,,,0.0,,,,,,0.0,,,,,
CCN(CC)CCNC(=O)CCc1n[nH]c(=O)c2ccccc12,CID1910909,,,0.0,,,0.0,,0.0,,,,,0.0,,,,
CCOc1cc(C(=O)Nc2ccon2)cc(OCC)c1OCC,CID1246068,,,0.0,,,,0.0,,0.0,,0.0,,,,,0.0,
Cc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)no1,CID704970,,0.0,0.0,,,,,0.0,0.0,,,0.0,,0.0,,,0.0
Cc1cc(NC(=O)c2ccccc2Cl)no1,CID821543,,,,,,,,,,,,0.0,,0.0,,,
COc1cc(SC)ccc1C(=O)Nc1ccon1,CID897087,,,0.0,,0.0,,,0.0,,,,,,,,,
Cc1cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)no1,CID874288,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(C(=O)Nc2cc(C)on2)cc1,CID670712,,0.0,,,,,,,,,,,,,,,
CCCCOc1cccc(OCCCC)c1C(=O)Nc1cc(C)on1,CID2214635,,0.0,,,,,,,0.0,0.0,0.0,,0.0,,,,
Cc1cc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)no1,CID606787,,,,,,,,,,,,,,,,,0.0
CC(C)(C)c1cc(NC(=O)c2cc(F)c(F)c(F)c2F)no1,CID876217,,,,,,,,,0.0,,,,,,,,0.0
COc1ccccc1C(=O)Nc1ccon1,CID1246932,,,,,,,,,,0.0,,,,,,,
CCC(=O)Nc1ccc(C(=O)Nc2cc(C)on2)cc1,CID1085285,,,,,,,,,,,,0.0,,,,,
Cc1cc(NC(=O)c2ccc(Cl)cc2)no1,CID652109,0.0,,0.0,,,,0.0,,,,,,0.0,0.0,0.0,,0.0
CCOc1cc(C(=O)Nc2cc(C)on2)cc(OCC)c1OCC,CID670757,0.0,,0.0,,,,,,0.0,,,,,,,0.0,
CC(C)(C)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2)no1,CID1245738,,,,,,,,,,,,,,0.0,0.0,,
O=C(Nc1ccon1)c1cccc(Cl)c1,CID1247464,0.0,0.0,,0.0,,,,,,0.0,,,,0.0,,,0.0
O=C(Nc1ccon1)c1ccccc1Cl,CID896784,0.0,0.0,0.0,0.0,,,,,0.0,0.0,,,0.0,,,0.0,0.0
COCCSc1ccccc1C(=O)Nc1cc(C)on1,CID2218470,,,0.0,0.0,,,0.0,,,,0.0,0.0,,,,,0.0
Cc1cc(NC(=O)c2ccc(NC(=O)C(C)C)cc2)no1,CID977303,,,,,,,,,0.0,,,0.0,,,,,
CCOc1ccc(C(=O)Nc2cc(C)on2)cc1OCC,CID717559,0.0,,,,,,,,,0.0,,0.0,0.0,,,0.0,
Cc1cc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)no1,CID747460,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)Nc2cc(C)on2)cc1,CID670263,,,,,,,0.0,0.0,,0.0,,,,,,,
O=C(Nc1ccon1)c1cccc(C(F)(F)F)c1,CID1245889,,,,0.0,,,,,0.0,,,,,,,,0.0
Cc1cc(NC(=O)c2cc(Cl)ccc2Cl)no1,CID655374,0.0,,,,,,,,,,,,,,,,
Cc1cc(NC(=O)c2ccc(NC(=O)CC(C)C)cc2)no1,CID1301114,,,,,,0.0,,,0.0,,,,,,,,
CCSc1ccccc1C(=O)Nc1cc(C)on1,CID970322,,0.0,0.0,0.0,0.0,,0.0,0.0,,,,0.0,,,0.0,,
CCn1nnc(NC(=O)c2c(OC)cccc2OC)n1,CID650151,,,,0.0,,,0.0,0.0,,,,,,,0.0,0.0,
CCCOc1cccc(C(=O)Nc2nnn(CCC)n2)c1,CID649277,,0.0,,,,,0.0,,,,,0.0,0.0,0.0,,,
CCCn1nnc(NC(=O)c2cccc(OCC(C)C)c2)n1,CID1286190,,,0.0,,,,,,,,,,,,,,
Cn1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)n1,CID1288816,,,,,,,,,,,,,,,0.0,,
CCCn1nnc(NC(=O)c2ccc(Br)cc2)n1,CID894049,0.0,,,,,,0.0,,0.0,,,0.0,,0.0,,0.0,
CCCn1nnc(NC(=O)c2cc(Br)ccc2OC)n1,CID894139,,,,,,,0.0,,0.0,,,0.0,,,,0.0,
COc1ccc(Cl)cc1C(=O)Nc1nnn(C)n1,CID648937,,0.0,0.0,0.0,,,0.0,,,,,,0.0,,,,
Cn1nnc(NC(=O)c2ccccc2F)n1,CID685434,,0.0,,0.0,,,,,,,0.0,,,,,,
CCn1nnc(NC(=O)c2ccccc2Br)n1,CID953146,,,,,,,,,,,,0.0,,,0.0,0.0,0.0
CCn1nnc(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)n1,CID654817,0.0,,,,,,,,,,,,,,,,
CCCn1nnc(NC(=O)c2ccc(Cl)cc2Cl)n1,CID649694,0.0,,,,,,,,,,,,,,,,
Cc1ccc(C(=O)Nc2nnn(C)n2)cc1,CID653643,,0.0,,0.0,,,0.0,0.0,,,,0.0,0.0,,0.0,,
CCOc1ccc(C(=O)Nc2nnn(CC)n2)cc1,CID654362,,0.0,,,,,,,,,,0.0,0.0,,0.0,,
CCCn1nnc(NC(=O)c2ccccc2Cl)n1,CID893153,,0.0,,,,,,,,,,,,,0.0,,
CCCn1nnc(NC(=O)c2ccc(OC)cc2)n1,CID900454,,,,,,,,,,,,,,,0.0,,
COc1ccc(Br)cc1C(=O)Nc1nnn(C)n1,CID824050,0.0,,,,,,,,0.0,,,0.0,,0.0,,0.0,0.0
CCn1nnc(NC(=O)c2ccc(C(C)(C)C)cc2)n1,CID653392,,0.0,,,,0.0,,,,,,,0.0,,0.0,,
Cn1nnc(NC(=O)c2cccc(F)c2)n1,CID647781,,0.0,,0.0,,,0.0,,,0.0,,0.0,,,,,
Cn1nnc(NC(=O)c2ccc(C(C)(C)C)cc2)n1,CID645076,,0.0,0.0,,,,,,,,,0.0,,,,,
CCCn1nnc(NC(=O)c2ccccc2Br)n1,CID893617,0.0,,,,,,,,0.0,,,,,,,0.0,0.0
CCCn1nnc(NC(=O)c2ccc(F)cc2)n1,CID900462,,,,,,,,,,,,0.0,,,,,
COc1ccccc1C(=O)Nc1nnn(C)n1,CID656143,,0.0,0.0,,,,,,0.0,,,,,,,,
CCCn1nnc(NC(=O)c2ccc(OCC)c(Cl)c2)n1,CID2194000,,0.0,,,,,,,,,,,,,0.0,,
CCCn1nnc(NC(=O)c2cccc(OCC)c2)n1,CID893318,,0.0,,0.0,,,,0.0,,,,,0.0,,0.0,,
CCc1ccc(C(=O)Nc2nnn(CC)n2)cc1,CID953045,,0.0,0.0,,,,,0.0,,,,,0.0,,0.0,,
COC(=O)c1ccc(NC(=O)CSc2nc(=O)cc(C)[nH]2)cc1,CID1891310,,,,,,,,,0.0,,,0.0,,0.0,,,
C=CCn1c(N)cc(=O)nc1SCC(=O)Nc1ccccc1,CID655216,,0.0,,0.0,,,0.0,,,0.0,0.0,0.0,0.0,,,,0.0
Nc1cc(=O)nc(SCC(=O)Nc2ccc(F)c(Cl)c2)[nH]1,CID2391902,,,,,,,,,,0.0,,,,0.0,,,
Cc1cc(=O)nc(SCC(=O)Nc2ccc(C(=O)O)cc2)[nH]1,CID1094077,,,,,,,,,0.0,,,0.0,,,,,
C=CCn1c(SCC(=O)Nc2ccccc2OC)nc(=O)c(CC)c1O,CID1379282,,,,0.0,0.0,,0.0,,0.0,,,,,0.0,,,
Cn1c(O)cc(=O)nc1SCC(=O)Nc1ccccc1,CID779678,,,,0.0,,,0.0,0.0,0.0,0.0,,0.0,,,,0.0,
CCCc1cc(=O)nc(SCC(=O)Nc2ccc(OC(F)F)cc2)[nH]1,CID2407875,,0.0,,,0.0,,,,,0.0,,,,,,,0.0
CCc1c(C)[nH]c(SCC(=O)Nc2ccc(Br)cc2)nc1=O,CID1262164,0.0,,,,,,,,,,0.0,0.0,,0.0,0.0,0.0,0.0
COCc1cc(=O)nc(SCC(=O)Nc2ccccc2)[nH]1,CID654059,,,0.0,,,,,,0.0,,,,0.0,0.0,,0.0,
Cc1cc(=O)nc(SCC(=O)Nc2cccc(C(F)(F)F)c2)[nH]1,CID603066,,,,,0.0,,,0.0,0.0,0.0,,,,,,,
Nc1cc(=O)nc(SCC(=O)Nc2ccc(Br)cc2)[nH]1,CID1134639,,,,,,,,,0.0,,,,,,,,
CCCc1cc(=O)nc(SCC(=O)Nc2c(C)cccc2C)[nH]1,CID890093,,,,,,0.0,,,,,,,,0.0,,,
COc1ccc(NC(=O)CSc2nc(=O)cc(O)n2C)cc1,CID779980,,,,,,,,,0.0,,,,,,,,
COC(=O)c1cccc(NC(=O)CSc2nc(=O)cc(C)[nH]2)c1,CID889959,,0.0,,,,,0.0,,0.0,,,,,0.0,,,
CCCc1cc(=O)nc(SCC(=O)Nc2ccccc2C#N)[nH]1,CID2443423,,,,,,,,,0.0,0.0,,,,,,,
Nc1cc(=O)nc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)[nH]1,CID749586,,,,,,,,,0.0,,,,,,,,
COc1ccccc1NC(=O)CSc1nc(=O)cc(O)n1C,CID779564,,,,0.0,,,,,0.0,,,0.0,0.0,,,0.0,
CCc1c(O)n(C(C)CC)c(SCC(=O)Nc2ccccc2)nc1=O,CID2843337,,,,,,,,,,,0.0,,,0.0,,,
CCc1c(C)[nH]c(SCC(=O)Nc2cccc(Br)c2)nc1=O,CID1252595,0.0,,,,,,,,0.0,,0.0,,,,,0.0,0.0
CCCc1cc(=O)nc(SC(CC)C(=O)Nc2ccccc2C#N)[nH]1,CID3154281,0.0,,,,,,,,,,0.0,,0.0,,,,
CCCc1cc(=O)nc(SCC(=O)Nc2ccc(C)cc2)[nH]1,CID805045,,,,,,,,,,,,,,0.0,,,
CCN(CC)c1ccc(NC(=O)CSc2nc(=O)cc(C)[nH]2)cc1,CID974977,,,,0.0,,,,,0.0,,,,,,,,0.0
COC(=O)c1cc(NC(=O)CSc2nc(=O)cc(C)[nH]2)cc(C(=O)OC)c1,CID1996165,,0.0,,,,,,0.0,0.0,,,,,,,,
Cc1ccc(NC(=O)CSc2nc(=O)cc(O)n2C)cc1,CID916999,,,,,,,,,0.0,0.0,,,,0.0,,,
CCOC(=O)c1ccc(NC(=O)CSc2nc(=O)cc(C)[nH]2)cc1,CID846277,,,,0.0,,,0.0,,1.0,,,,,0.0,,0.0,
CCN(CC)CCCN1C(=O)C(O)=C(C(C)=O)C1c1ccc(OC)cc1OC,CID5236854,,,,,,,0.0,,,0.0,,,,,,,
COCCCN1C(=O)C(O)=C(C(C)=O)C1c1cccc(F)c1,CID650972,,,0.0,,,0.0,,0.0,,,,,,,,,
CCN(CC)CCCN1C(=O)C(O)=C(C(C)=O)C1c1cccc(OC)c1,CID3237295,0.0,,,,,,0.0,,0.0,,,0.0,0.0,,,,
COCCN1C(=O)C(O)=C(C(C)=O)C1c1ccc(F)cc1,CID644540,,,,,,,0.0,0.0,,,,,,,,,
COC(=O)c1ccc(C2C(C(C)=O)=C(O)C(=O)N2CCO)cc1,CID3240575,,,,,0.0,0.0,0.0,,,,,,,,,,
COc1ccc(C2C(C(C)=O)=C(O)C(=O)N2CCO)c(OC)c1,CID653922,,0.0,,,0.0,,,,,,,,0.0,,,,0.0
CC(=O)C1=C(O)C(=O)N(C)C1c1ccccc1F,CID610237,,,0.0,0.0,,,,0.0,,,,,,,,,
CC(=O)C1=C(O)C(=O)N(CCC(=O)O)C1c1cccc(F)c1,CID648150,,0.0,,,,,,,,0.0,,,,,,,
CC(=O)C1=C(O)C(=O)N(CC(=O)O)C1c1ccccc1Cl,CID3122167,,0.0,,,,,,,,,0.0,,0.0,,,,
C=CCN1C(=O)C(O)=C(C(C)=O)C1c1ccccc1F,CID2889202,,,0.0,,,,,,,0.0,,,,,,,
COc1ccc(C2C(C(C)=O)=C(O)C(=O)N2C)c(OC)c1,CID2868052,,,,,0.0,,,0.0,,0.0,,,,,,0.0,0.0
CC(=O)C1=C(O)C(=O)N(CCN(C)C)C1c1ccc(Cl)cc1,CID646462,0.0,0.0,,0.0,,0.0,0.0,,0.0,,,,0.0,,,,0.0
COc1ccc(C2C(C(C)=O)=C(O)C(=O)N2CCN(C)C)cc1OC,CID2881203,0.0,,,,0.0,0.0,,,,,,,,,,,0.0
COc1ccc(OC)c(C2C(C(C)=O)=C(O)C(=O)N2CCC(=O)O)c1,CID645864,,,,,,,,,,,,,,,0.0,,
CC(=O)C1=C(O)C(=O)N(CCC(=O)O)C1c1ccccc1Cl,CID3140882,,,,,,,,,,0.0,0.0,,,,,,
CCN(CC)CCN1C(=O)C(O)=C(C(C)=O)C1c1ccc(OC)c(OC)c1,CID660301,,,,,,,,0.0,,,,,,,0.0,,
CS(=O)(=O)C1=C(O)C(=O)N(CCCC(=O)O)C1c1ccccc1F,CID645073,,,,,,,,,,,,0.0,,,,,
CC(=O)C1=C(O)C(=O)N(CCCCCC(=O)O)C1c1ccc(N(C)C)cc1,CID660373,,0.0,0.0,,,,0.0,,,,,,,,,,
CCCCCCN1C(=O)C(O)=C(C(C)=O)C1c1ccc(Cl)cc1,CID2875653,0.0,,0.0,0.0,,,,,,0.0,0.0,,0.0,0.0,,0.0,0.0
CC(=O)C1=C(O)C(=O)N(CCCO)C1c1ccccc1,CID2868300,,,,,,,,,,,0.0,0.0,,,,,
CC(=O)C1=C(O)C(=O)N(CO)C1c1ccccc1F,CID654085,,,,0.0,0.0,,,,,,,,,,,,
CCCCN1C(=O)C(O)=C(C(C)=O)C1c1ccc(OC)cc1OC,CID660503,,,,,,,,,,,,,,,,0.0,
COCCN1C(=O)C(O)=C(C(C)=O)C1c1ccc(OC)c(OC)c1,CID652689,,,,,0.0,,,,,0.0,0.0,,0.0,,,,
CCN(CC)CCN1C(=O)C(O)=C(C(C)=O)C1c1ccccc1,CID660908,0.0,,,,,,,,,,,,,,,,0.0
CCOC(=O)CN1C(=O)C(O)=C(C(C)=O)C1c1ccccc1,CID664969,,,,,,,0.0,0.0,,0.0,,,0.0,,,0.0,0.0
O=C(Nc1ccc2c(c1)OCCO2)c1ccccc1F,CID2810391,,,,,,,,0.0,,,,,,,,0.0,
COc1ccc(C(=O)N(CC(=O)NC(C)(C)C)c2ccc3c(c2)OCCO3)cc1OC,CID651912,,,,,,,,0.0,,0.0,,,,,,,
CCOc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1OC,CID972531,,,,,,,,0.0,,,,,0.0,,,,
CCCC(=O)c1cc2c(cc1NC(=O)c1ccccc1F)OCCO2,CID1512455,,,,,,,,,,,,,,,0.0,,
CN(c1ccccc1C(=O)Nc1ccc2c(c1)OCCO2)S(C)(=O)=O,CID1091807,,,,0.0,,,,,,,,,0.0,,,0.0,
CCC(O)c1cc2c(cc1NC(=O)c1ccc(C)cc1)OCCO2,CID2967039,0.0,,,,,,,,0.0,,,,,,,0.0,
CC(C)CNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1,CID654454,,,0.0,0.0,0.0,,,,,0.0,,,,,,0.0,
CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCCO2,CID2225002,,,,0.0,0.0,,0.0,,0.0,,,,,0.0,,,
O=C(Nc1ccc2c(c1)OCCO2)c1c(F)c(F)c(F)c(F)c1F,CID1752574,,,,,,,,,0.0,,,,,,,,
O=C(Nc1ccc2c(c1)OCCO2)c1c(F)cccc1F,CID2810385,,,,,,,,,,,0.0,,,,0.0,,0.0
COc1cccc(OC)c1C(=O)Nc1ccc2c(c1)OCCO2,CID744774,,,0.0,0.0,,,0.0,,,,,0.0,,,,,
CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1,CID1270439,,,,0.0,,,0.0,,,0.0,,,0.0,,0.0,0.0,
COc1cc(C(=O)Nc2ccc3c(c2)OCCO3)ccc1OC(C)C,CID2980923,,,,,,,,0.0,,,,,,,,0.0,
COc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1,CID730783,,,,,,,,,0.0,0.0,0.0,,,,,,
CCOc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-],CID2298719,,,,,,,,,,,,,,,0.0,,
CCC(=O)c1cc2c(cc1NC(=O)c1ccc(C)cc1)OCCO2,CID737908,,,,,,,0.0,0.0,,,0.0,,0.0,,,,
CC(C)C(=O)c1cc2c(cc1NC(=O)c1ccccc1)OCCO2,CID1266090,,,,,,0.0,,,,,,,,,,,
CSc1ccccc1C(=O)Nc1ccc2c(c1)OCCO2,CID798223,,,,,,,,,,,,0.0,,0.0,,,
COc1cc(C(=O)Nc2ccc3c(c2)OCCO3)ccc1OC(F)F,CID1000603,,,,0.0,,,,,,,,,,,,,0.0
COc1cc(SC)ccc1C(=O)Nc1ccc2c(c1)OCCO2,CID802814,,,,0.0,0.0,,0.0,,,,,,,,,,
COCCSc1ccccc1C(=O)Nc1ccc2c(c1)OCCO2,CID2218487,,,,,,,,,,,,,,0.0,,,
CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1,CID1252204,,,,,,,,,,,,,,0.0,,,
COc1ccccc1C(=O)Nc1ccc2c(c1)OCCO2,CID652336,,,,,,,,,0.0,,0.0,,,,,0.0,
COc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-],CID714125,,,,,,,,,,,,,,,0.0,,
CCC(=O)c1cc2c(cc1NC(=O)c1ccccc1)OCCO2,CID769170,,,,,,,,,0.0,,,,,0.0,,,
CCOC(=O)c1sc(=S)n(-c2cc(F)ccc2F)c1N,CID3239616,,,,,,,0.0,,,0.0,,,0.0,,0.0,,0.0
Cc1ccc(-n2c(N)c(C(N)=O)sc2=S)c(C)c1,CID3237164,,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1sc(=S)n(-c2ccc(Cl)cc2)c1C,CID766311,,,,,,,,,0.0,,,,,,0.0,,
CCOc1ccccc1-n1c(N)c(C(N)=O)sc1=S,CID3571647,,,,,,,,,,,0.0,,,,,,
Cc1c(C(=O)O)sc(=S)n1-c1ccc(Cl)cc1,CID742065,,,,,,,,,,,,,,0.0,,,
COc1ccc(-n2c(C)csc2=S)cc1,CID292843,,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1sc(=S)n(-c2ccccc2)c1N,CID735938,,,,,,,,,,0.0,,,,,,,
CC(=O)c1sc(=S)n(-c2ccc(Cl)cc2)c1C,CID753524,,,,,,,,,,,,,,0.0,,,
COC(=O)c1sc(=S)n(-c2ccc(Cl)cc2)c1C,CID742072,,,,,,,,,0.0,0.0,,,,0.0,,,
CCOC(=O)c1sc(=S)n(-c2ccccc2OC)c1N,CID628238,,,0.0,,,,0.0,,,0.0,,,0.0,,,,
Cc1ccc(-n2c(N)c(C(N)=O)sc2=S)cc1,CID660533,,,,,,,,,,0.0,,,,,,,
COC(=O)c1sc(=S)n(-c2cccc(Cl)c2)c1N,CID3241166,,,,,,,,,0.0,,,,,,,,
COC(=O)c1sc(=S)n(-c2ccccc2)c1N,CID866382,,,0.0,,,,0.0,,,0.0,,,0.0,,,,
CCNC(=O)c1sc(=S)n(-c2ccc(C)cc2)c1N,CID1545965,,,,,,,,,,0.0,,,,,,,
Cc1c(C(=O)O)sc(=S)n1-c1ccccc1,CID660591,,,,,,,0.0,,,0.0,,,,,,,
CCOC(=O)c1sc(=S)n(-c2ccc(F)c(F)c2)c1N,CID3240779,,,,,,,,,,,,,0.0,,,,0.0
CCOC(=O)c1sc(=S)n(-c2ccccc2Cl)c1SC,CID1488612,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1sc(=S)n(-c2ccc(C)cc2)c1SC,CID1488613,,,,,,0.0,,,,,,0.0,,0.0,,,
NC(=O)c1c(N)sc(=S)n1-c1ccccc1,CID665786,,,,,,,0.0,,,0.0,,,,,,0.0,
CCOC(=O)c1sc(=S)n(-c2cccc(OC)c2)c1N,CID3240220,,0.0,,,,,,,,0.0,,,,,0.0,,
CCOC(=O)c1sc(=S)n(-c2ccccc2)c1SC,CID1486791,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1sc(=S)n(-c2cc(OC)ccc2OC)c1N,CID630991,,0.0,0.0,,,,0.0,,,0.0,,,,,,,
COc1ccc(-n2ccsc2=S)cc1,CID741660,,,,,,0.0,0.0,,,,,,,,,,
C=CCNC(=O)c1sc(=S)n(-c2ccc(C(=O)OCC)cc2)c1N,CID3243349,,,,,,,,,0.0,,,,,,,,
COC(=O)c1sc(=S)n(-c2cc(F)ccc2F)c1N,CID3242071,,,,,,,,,,,,,0.0,,,,
Cc1nnc(SCc2ccccc2)n1N,CID647885,,0.0,,0.0,,,,,,,,,0.0,,,,
CCc1nnc(SCc2ccc(OC)c(Br)c2)n1N,CID799722,0.0,,,,,,,,,,,,,0.0,,0.0,
COc1ccc(CSc2nncn2N)cc1Br,CID799687,0.0,,,,,,,,0.0,,,,,,,0.0,0.0
CCCCOc1ccc(Cl)cc1CSc1nnc(CC)n1N,CID2213117,,0.0,,0.0,0.0,,,,,0.0,,0.0,0.0,,,,
CCCCOc1ccc(Cl)cc1CSc1nnc(C)n1N,CID2215722,0.0,,0.0,,0.0,,0.0,,,,,0.0,0.0,,,,0.0
CCCCOc1ccc(CSc2nncn2N)cc1,CID655166,,0.0,,0.0,,,,,,,,,0.0,,,0.0,
COc1ccc(CSc2nnc(C)n2N)cc1,CID646207,,,,0.0,,,,,,,,,0.0,,,,0.0
Cn1cnnc1SCc1ccccc1Br,CID3242350,,,,,,,,,0.0,,0.0,,,,,0.0,0.0
Cn1cnnc1SCc1ccc(C#N)cc1,CID2380776,,0.0,,0.0,,,,,,0.0,,,,,,,
CCCCOc1ccc(Cl)cc1CSc1nncn1N,CID2214667,,0.0,,0.0,0.0,,,,,,0.0,,,0.0,,,0.0
Cn1cnnc1SCc1ccccc1,CID780423,,,,,,0.0,,,,,,,,,0.0,,
Cn1cnnc1SCc1ccc(C(=O)O)cc1,CID646469,,,,,,,,,,0.0,,,,,,,
CCCc1nnc(SCc2ccc(OC)cc2)n1N,CID977792,,0.0,,,,,,,,,0.0,,,,,,0.0
Cn1cnnc1SCc1ccc(C#N)cc1Cl,CID685255,,0.0,,0.0,0.0,,,,,,,,,,,0.0,0.0
Cc1ccccc1CSc1nnc(C)n1N,CID724386,,,0.0,0.0,,,,0.0,,0.0,0.0,,,,,0.0,0.0
CCc1nnc(SCc2ccc(OC(C)C)cc2)n1N,CID645911,,0.0,,,,,,,,,0.0,,,,,0.0,0.0
COc1ccc(C(C)=O)cc1CSc1nncn1C,CID2402666,,,,,,,,,,,,,,,0.0,,
Cc1ccccc1CSc1nncn1N,CID731925,,0.0,0.0,0.0,,,,,,,,,0.0,,,,
CCCCc1nnc(SCc2ccc(OCC)cc2)n1N,CID2901492,0.0,,0.0,,,,,0.0,,,0.0,,,,,0.0,
CCCOc1ccc(CSc2nnc(CCC)n2N)cc1,CID654697,0.0,0.0,,,,,,0.0,,,0.0,,,,,0.0,
COc1ccc(CSc2nnc(C)n2N)cc1Br,CID660026,0.0,,,,,,,,0.0,,,,,0.0,,,
COC(=O)c1ccc(CSc2nncn2C)cc1,CID728234,,0.0,,,,,0.0,0.0,,0.0,,,0.0,,,,0.0
CC(=O)c1ccc(O)c(CSc2nncn2C)c1,CID2402620,,,,,,,,,,,,,,0.0,,,
Cn1cnnc1SCc1cccc(Br)c1,CID889614,,,,,,,,,0.0,,0.0,0.0,,0.0,,,
CCCc1nnc(SCc2ccc(OCC)cc2)n1N,CID660077,,0.0,,,,,,,,,,,,0.0,,,0.0
CC(=O)c1ccc(NC(=S)NCCc2ccc(F)cc2)cc1,CID972437,,,,,,,,,,,,,,,0.0,,
O=[N+]([O-])c1cccc(NC(=S)NCCc2ccccc2)c1,CID2333121,,,,,,,,,,,,,,0.0,,,
S=C(NCCc1ccccc1)Nc1ccc(Br)cc1,CID805738,,,,,,,,,,,,,,0.0,,,
Cc1c(Cl)cccc1NC(=S)NCCc1ccc(C(F)(F)F)cc1,CID2438820,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1ccc(NC(=S)NCCc2ccccc2)cc1,CID875689,,,,,,,,,,,,0.0,,,,,
COc1ccc(CCNC(=S)Nc2cc(C)ccc2C)cc1,CID799396,,,,,,,,,,,,0.0,,,,,
Cc1ccccc1NC(=S)NCCc1ccccc1,CID886103,,,,,,,,,,,,,,,0.0,,
COc1ccc(NC(=S)NCCc2ccc(F)cc2)c(OC)c1,CID899545,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccc(NC(=S)NCCc2cccc(C)c2)cc1,CID858824,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1ccc(NC(=S)NCC(O)c2ccccc2)cc1,CID2889331,,,,,,,,,,,,0.0,,,,,
COc1ccccc1NC(=S)NCCc1ccccc1,CID886110,,,,,,,,,,,0.0,,,,,,
CCOC(=O)c1ccc(NC(=S)NCCc2ccccc2F)cc1,CID888782,,,,,,,,,,,,,,0.0,,,
COc1ccc(NC(=S)NCCc2ccc(Cl)cc2)c(OC)c1,CID1323882,,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1ccc(NC(=S)NCCc2ccc(F)cc2)cc1,CID718317,,,,,,,,,,,,,,,0.0,,
CC(=O)c1cccc(NC(=S)NCCc2ccc(Cl)cc2)c1,CID970344,,,,,,,,,,,,,,,0.0,,
COc1ccc(CCNC(=S)Nc2cc(C)cc(C)c2)cc1,CID799265,,,,,,,,,,,,0.0,,,,,
COC(=O)c1ccc(NC(=S)NCCc2ccccc2)cc1,CID726348,,,,,,,,,,,,0.0,,,,,
CCOc1ccccc1NC(=S)NCCc1ccc(F)cc1,CID971614,,,,,,,,,,,,,,,0.0,,
COc1ccc(CCNC(=S)Nc2cccc(C)c2C)cc1,CID799932,,,,,,0.0,,,,,,0.0,,,,,
CCOc1cc(NC(=S)NCCc2ccccc2)c(OCC)cc1NC(C)=O,CID1172905,,,,,,,,,,,,,,0.0,,,
Fc1ccccc1NC(=S)NCCc1ccccc1,CID2298907,,,,,,0.0,,,,,,,,,,,
COc1ccccc1NC(=S)NCCc1ccc(Cl)cc1,CID944184,,,,,,,,,,0.0,,,,,,,
S=C(NCCc1ccccc1)Nc1ccc(Cl)cc1Cl,CID886750,,,,,,,,,,,,,,,0.0,,
CCc1cccc(CC)c1NC(=S)NCCc1ccc(O)c(O)c1,CID2429565,,,,,,,,,,,,,,,0.0,,
COc1ccc(NC(=S)NCCc2ccccc2)c(OC)c1,CID2171352,,,,,,,,,,,,0.0,,,,,
COc1ccc(-n2nc3ccc(NS(C)(=O)=O)cc3n2)cc1Cl,CID1091853,,0.0,,0.0,0.0,,,,,,,,,,,,0.0
CC(=O)Nc1cc2nn(-c3ccccc3)nc2cc1Cl,CID652622,,,,,,,,,,,,,0.0,,0.0,0.0,0.0
CN(C)/C=N/c1ccc2nn(-c3ccccc3)nc2c1,CID3796447,,0.0,,,,,,0.0,,,,,0.0,0.0,,,
Cc1ccc(O)c(-n2nc3ccccc3n2)c1,CID17113,,,,,,,,,,,,,,,0.0,,
CCCCC(=O)Nc1cc2nn(-c3ccc(OC)cc3)nc2cc1C,CID654480,,0.0,,,,0.0,,,,,,0.0,,,,,
COc1ccc(-n2nc3cc(C)c(NC(=O)CC(C)C)cc3n2)cc1,CID806710,0.0,0.0,,0.0,,,0.0,0.0,,0.0,,,,,0.0,,
CC(C)C(=O)Nc1ccc2nn(-c3ccccc3)nc2c1,CID2880864,,,,,,,,,,,,,,0.0,,,
CCCC(=O)Nc1ccc2nn(-c3ccc(C)c(Cl)c3)nc2c1,CID878094,,,,,,0.0,,,,,,,,,,,
Cc1ccc(OCC(=O)O)c(-n2nc3ccccc3n2)c1,CID675533,,,0.0,0.0,,,,,,,,,0.0,0.0,0.0,,
COc1ccc(-n2nc3cc(C)c(N)c(Br)c3n2)cc1,CID2236497,0.0,,,,,,,,0.0,,0.0,,,,,,0.0
COC(=O)COc1ccc(C)cc1-n1nc2ccccc2n1,CID1506416,,,,,,,,,,,,,,,0.0,,
Cc1ccc(-n2nc3cc(C)c(N)cc3n2)cc1,CID736271,,,,,,,,,,,,,,0.0,,,
CCC(=O)Nc1cc2nn(-c3ccccc3)nc2cc1Cl,CID648531,0.0,,,,,,,,,,,,,,,,0.0
Cc1ccc(-n2nc3ccc(NC(=O)C(C)C)cc3n2)cc1,CID952244,,,,,,,,,,,,,,0.0,0.0,,
CCC(=O)Nc1cc2nn(-c3ccc(OC)cc3)nc2cc1C,CID654352,,,,0.0,,0.0,,,0.0,,,,0.0,0.0,0.0,,
CC(C)(C)C(=O)Nc1cc2nn(-c3ccccc3)nc2cc1Cl,CID960954,,,,,,,,,0.0,,,,,,,,
c1ccc(-n2nc3ccccc3n2)cc1,CID154096,,,,,,,,,,,,,,,0.0,,
COc1ccc(-n2nc3ccccc3n2)cc1,CID658624,,0.0,,,,0.0,,,0.0,,,0.0,,,,,0.0
CC(C)CC(=O)Nc1ccc2nn(-c3ccccc3)nc2c1,CID1121188,,,,,,,,,,,,,,0.0,,,
CC(C)CC(=O)Nc1cc2nn(-c3ccccc3)nc2cc1Cl,CID960956,,,,,,,,,,0.0,,,,,,,
Cc1cc2nn(-c3ccccc3)nc2cc1N,CID614180,,,,,,0.0,,,,,,,,,,,
CC(=O)Oc1ccc(C)cc1-n1nc2ccccc2n1,CID702159,,,,,,0.0,,,,,,,,0.0,,,
Nc1ccc2nn(-c3ccccc3)nc2c1,CID721090,,,,,,,,,,,,,,0.0,,,
Cc1ccc(-n2nc3ccc(N)cc3n2)cc1,CID721095,,0.0,,0.0,,,,,,,,,,0.0,,,
COc1ccc(-n2nc3cc(C)c(NC(=O)C(C)C)cc3n2)cc1,CID651820,,0.0,0.0,,,,,,,,,,,0.0,0.0,,
CCOc1ccc(NC(=O)C2CC(C)=C(C)CC2C(=O)O)cc1,CID2933378,,,,,,,,,,0.0,,,,,0.0,,0.0
CCCCOc1ccc(NC(=O)C2CC=CCC2C(=O)O)cc1,CID2855931,,,,0.0,,,,,,0.0,,,,,,,0.0
COC(=O)c1ccccc1NC(=O)C1CC=CCC1C(=O)O,CID2930956,,,,,,,,,,,,,,,,,0.0
O=C(O)C1CC=CCC1C(=O)Nc1ccc(F)c(F)c1,CID2886570,,,,,,,0.0,,,,,,,,0.0,,0.0
COc1ccc(OC)c(NC(=O)C2CC=CCC2C(=O)O)c1,CID776387,,,,0.0,,0.0,,,,,,,,,,,0.0
O=C(O)C1CC=CCC1C(=O)Nc1cccc(Cl)c1,CID2883804,,,,0.0,,,0.0,,,,,,,,,,0.0
COc1ccc(OC)c(NC(=O)C2CC(C)=C(C)CC2C(=O)O)c1,CID2886961,,,,0.0,,0.0,,,,,0.0,,,,,,0.0
O=C(O)C1CC=CCC1C(=O)Nc1cccc(F)c1,CID2865989,,0.0,0.0,,,,,0.0,,,,,,,,,0.0
COC(=O)c1cc(NC(=O)C2CC=CCC2C(=O)O)cc(C(=O)OC)c1,CID2932721,,,,,,,,0.0,,,,,,,,,
CC1=C(C)CC(C(=O)Nc2cccc(Cl)c2)C(C(=O)O)C1,CID3246802,,0.0,,,,,,,,,,,,,,0.0,
COc1cc(NC(=O)C2CC=CCC2C(=O)O)c(OC)cc1Cl,CID3246787,,0.0,,,,,,,,,0.0,,,,,,
CC(C)OC(=O)C1CC=CCC1C(=O)Nc1ccc(Cl)cc1,CID2914281,,,,,,,,,,0.0,,,,,,,
CCOc1ccc(NC(=O)C2CC=CCC2C(=O)O)cc1,CID2849881,,,,,,,,,,0.0,,,,,,,0.0
O=C(O)C1CC=CCC1C(=O)Nc1ccccc1,CID564519,,,,,,,,,,0.0,,,,,,,
CCc1ccc(NC(=O)C2CC=CCC2C(=O)O)cc1,CID2900308,,,,,,,,,,0.0,,,,,,,0.0
O=C(O)c1ccc(NC(=O)C2CC=CCC2C(=O)O)cc1,CID2883124,,0.0,,,,,0.0,,,,,,,,,,
O=C(O)Cc1ccc(NC(=O)C2CC=CCC2C(=O)O)cc1,CID2887439,,,,,,0.0,0.0,,,,,,0.0,,,,0.0
CCc1ccccc1NC(=O)C1CC=CCC1C(=O)O,CID790828,,,,,,0.0,,,,,,,,,,,
O=C(O)C1CC=CCC1C(=O)Nc1ccccc1Cl,CID2997648,,0.0,,0.0,,,,,,0.0,,,,,,0.0,0.0
O=C(Nc1ccc(Cl)cc1)C1CC=CCC1C(=O)OCC(F)(F)C(F)F,CID3239753,,,,,,,,,,,,,,,,,0.0
Cc1ccc(C)c(NC(=O)C2CC=CCC2C(=O)O)c1,CID2883747,,,,,,,,0.0,,0.0,,,,,,,0.0
COc1ccc(C(C)(C)C)cc1NC(=O)C1CC=CCC1C(=O)O,CID2915702,,,,,,,0.0,,,,,,,,,,0.0
Cc1ccccc1NC(=O)C1CC(Cl)=CCC1C(=O)O,CID3815185,,0.0,,,,,,,,,,,,,,0.0,
O=C(O)C1CC=CCC1C(=O)Nc1cccc(Cl)c1Cl,CID3122375,,,,0.0,,,,,0.0,,,,,,,,
O=C(O)C1CC=CCC1C(=O)Nc1cc(Cl)ccc1Cl,CID2930332,,,,0.0,,,,,,,,,,,,,
CCCCOc1ccc(-c2ncc(C(=O)OCC)c(N)n2)cc1,CID2057828,,0.0,0.0,0.0,,,,,0.0,,,,0.0,,,,
CCOC(=O)c1cnc(-c2ccccc2)nc1N,CID2843656,,,,,,,,0.0,,,0.0,0.0,,0.0,0.0,,
CC(=O)c1c(C)nc(-c2ccc(Cl)cc2)nc1/N=C/N(C)C,CID3241779,,0.0,,,,,,,,,0.0,,,,,,0.0
CSc1nc(-c2ccccc2)nc(N)c1C(C)=O,CID2834002,,,,,,,,,0.0,0.0,0.0,,,,,,
COC(OC)c1ccnc(-c2ccc(OC(C)=O)cc2)n1,CID1491145,,,,,,,,,,,,,,,0.0,,
CC(=O)c1c(C)nc(-c2ccc(Cl)cc2)nc1N,CID884225,,,,,,,,,,,,,,,0.0,,
CCCCOc1ccc(-c2ncc(Cl)cn2)cc1,CID2252177,,,,,,,0.0,,,,0.0,,0.0,,,0.0,0.0
CC(=O)Nc1nc(-c2ccc(Cl)cc2)nc(C)c1C(C)=O,CID885153,0.0,0.0,,,,,0.0,,,,0.0,,,,,0.0,0.0
CCOC(=O)c1c(C)nc(-c2ccccc2)nc1NC(=O)C(C)C,CID830688,,0.0,,,0.0,,,,0.0,,,,0.0,,,,
CC(=O)c1c(C)nc(-c2ccccc2)nc1NC(=O)C(C)C,CID873515,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1c(C)nc(-c2ccccc2)nc1NC(=O)CC,CID830687,,,0.0,,0.0,0.0,,,0.0,,,,0.0,0.0,0.0,,
CC(=O)c1c(C)nc(-c2ccc(Cl)cc2)nc1NC(=O)C(C)C,CID884438,0.0,,,0.0,,,0.0,,,,,,0.0,,,0.0,0.0
CCOC(=O)c1c(C)nc(-c2ccccc2)nc1NC(C)=O,CID873454,,,,0.0,,,,,0.0,,,,0.0,0.0,,,
COc1nc(-c2ccccc2)nc(C)c1CC(=O)O,CID917407,,,,,,,,,,,,,,0.0,0.0,,
Cc1cc(NO)nc(-c2ccc(Br)cc2)n1,CID755301,0.0,,,,,,,,0.0,,,,,,0.0,,0.0
Nc1cnc(-c2ccccc2)nc1Cl,CID824818,,,,,,,,,,,,,,0.0,,,
COc1cc(CSC)nc(-c2ccccc2)n1,CID1471367,,,,,,,,,,,,,,,0.0,,
CNCCOc1cc(C)nc(-c2ccccc2)n1,CID2267164,,,,,,0.0,,,,,,,,,,,
CCCCCCc1ccc(-c2ncc(N)cn2)cc1,CID603661,,,,,,,,,,,,,,0.0,,0.0,
CC(=O)Nc1nc(-c2ccccc2)nc(C)c1C(C)=O,CID873523,,0.0,0.0,0.0,,,0.0,,0.0,,,,0.0,0.0,0.0,,
CCCCOc1ccc(-c2ncc(C(=O)O)c(C)n2)cc1,CID658215,,,,,,,,,,,,0.0,,,0.0,0.0,
CSc1nc(-c2ccccc2)nc(NC(=O)C(C)C)c1C(C)=O,CID4067705,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1cnc(-c2ccccc2)nc1N(C)C,CID755175,,,,,,,,,0.0,,,,,0.0,,,
CCOC(=O)c1c(C)nc(-c2ccccc2)nc1N,CID611239,,,0.0,0.0,,,,0.0,,,,0.0,,,,,
CSc1nc(-c2ccccc2)nc(SC)c1C(C)=O,CID672426,,,0.0,,0.0,,0.0,,,,,,0.0,0.0,,,
COc1ccccc1-c1cc(C(=O)Nc2c(F)cc(F)cc2Br)no1,CID3245080,0.0,,,,,,0.0,,,,,,,,,,
COc1ccccc1-c1cc(C(=O)Nc2ccc(F)cc2F)no1,CID3235858,,,0.0,,,,,,,,,,,,,,
COc1ccccc1-c1cc(C(=O)Nc2ccccc2SC)no1,CID3235818,1.0,0.0,,,0.0,,0.0,,,,,,,,,0.0,
COc1ccc(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)on2)cc1OC,CID3242624,0.0,,,,,,,,,,,,,,,,
Cc1ccc(O)c(NC(=O)c2cc(-c3ccc(F)cc3)on2)c1,CID15988802,,,,,,,,,,,,,,,0.0,,
Cc1ccc(NC(=O)c2cc(-c3cccc(O)c3)on2)cc1C,CID5308264,0.0,,,,,,,,,,,,0.0,,,,
COc1ccc(-c2cc(C(=O)Nc3ccccc3SC)no2)cc1OC,CID3239684,0.0,,,,,,,,,,,,,,,,
O=C(Nc1ccccc1C(F)(F)F)c1cc(-c2cccc(O)c2)on1,CID3244882,,,,,,,,,,,,,,,,,0.0
CCc1ccc(NC(=O)c2cc(-c3ccc(OC)cc3)on2)cc1,CID3241851,,0.0,0.0,,,0.0,0.0,0.0,0.0,,0.0,0.0,,,,,
COc1cccc(-c2cc(C(=O)Nc3ccccc3SC)no2)c1,CID3244400,,0.0,,,0.0,,,,,,,,,,,,0.0
COc1cccc(-c2cc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)no2)c1,CID3241958,0.0,,,,,,0.0,,0.0,,,,,,,,0.0
COc1ccc(-c2cc(C(=O)Nc3cccc(C(C)=O)c3)no2)cc1,CID3238813,,,0.0,,,,,0.0,0.0,0.0,,,0.0,,,,
COc1cccc(-c2cc(C(=O)Nc3ccc(OC)c(OC)c3)no2)c1,CID3245004,0.0,,,,,,,,,,,,,,,,
COc1ccc(OC)c(-c2cc(C(=O)Nc3cccc(Cl)c3)no2)c1,CID3242014,0.0,0.0,,,,,,,,,,,,,,0.0,0.0
COc1cc(NC(=O)c2cc(-c3cccc(O)c3)on2)cc(OC)c1OC,CID5307652,,,,,,,,0.0,,,0.0,,,,,,
CC(=O)c1cccc(NC(=O)c2cc(-c3ccc(F)cc3)on2)c1,CID3240197,,,,0.0,,,,0.0,,,,,,,0.0,,
COC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(C)cc2)on1,CID1251604,,,,,,,,,0.0,0.0,,0.0,,,,,
COc1ccc(NC(=O)c2cc(-c3ccccc3OC)on2)cc1,CID3243863,0.0,0.0,0.0,,,,,,,,,0.0,,,,,
CCc1ccccc1NC(=O)c1cc(-c2cccc(O)c2)on1,CID5308609,0.0,0.0,0.0,,,,,0.0,,,,,,0.0,,0.0,
COc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3)no2)cc1,CID3244793,,,,,,,0.0,,,,,,0.0,,0.0,,
CC(=O)c1cccc(NC(=O)c2cc(-c3ccc(C)cc3)on2)c1,CID973882,,,,,,,0.0,,0.0,,,,,0.0,,,
COC(=O)c1ccccc1NC(=O)c1cc(-c2cccc(OC)c2)on1,CID3235662,0.0,,,,,,0.0,0.0,0.0,0.0,0.0,,,,,,
COc1cccc(-c2cc(C(=O)Nc3cccc(O)c3)no2)c1,CID3243797,0.0,,,0.0,,,,,,,,,,,,,
COc1ccc(-c2cc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)no2)cc1OC,CID3243302,0.0,,,,,,,,,,,,,,,,
Cc1ccn(C(=O)c2ccc(NC(=O)CC(C)C)cc2)n1,CID833513,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)n(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)n1,CID800068,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)n2nc(C)c(Br)c2C)cc1,CID714833,,,,,,,,,0.0,,,,,,,,
COc1ccc(Cl)cc1C(=O)n1nc(C)cc1C,CID887689,,,,,,,,,,0.0,,0.0,0.0,,,0.0,0.0
COc1ccc(C(=O)n2nc(C)cc2C)cc1Br,CID833076,,,,,,,,,0.0,,,,,,,0.0,
Cc1cc(C)n(C(=O)c2ccc(NC(=O)CC(C)C)cc2)n1,CID712899,0.0,,0.0,,0.0,,,0.0,0.0,,0.0,,0.0,0.0,,,
COc1cc(C(=O)n2nc(C)cc2C)cc(OC)c1OC,CID737529,,,0.0,,,,0.0,,0.0,,,,0.0,,,,
COc1cc(OC)cc(C(=O)n2nc(C)cc2C)c1,CID754128,,,,,,,,,0.0,,,,,,,,
COc1ccc(C(=O)n2nc(C)cc2C)cc1,CID910410,,,,,,0.0,,,0.0,0.0,,,,0.0,,,
COC(=O)c1cnn(C(=O)c2cc(OC)ccc2Br)c1N,CID3244392,0.0,,,,,,,,,,,,,,,,0.0
COc1cccc(OC)c1C(=O)n1nc(C)cc1C,CID897075,,,,,,,0.0,0.0,0.0,0.0,,,,0.0,0.0,0.0,
Cc1cnn(C(=O)c2ccccc2Br)c1,CID1245528,0.0,,,,,,,,0.0,,,,,,,0.0,0.0
COC(=O)c1ccn(C(=O)c2ccc(Cl)cc2)n1,CID660583,,0.0,,,,,,,,0.0,,,,0.0,,,
CCC(=O)Nc1ccc(C(=O)n2ccc(C)n2)cc1,CID647673,,,,0.0,,0.0,,,0.0,,,0.0,,,0.0,,
COc1ccccc1C(=O)n1nc(C)cc1C,CID754113,,,,,,,,,0.0,0.0,,0.0,0.0,0.0,,,0.0
COc1ccc(C(=O)n2ccc(C)n2)cc1Br,CID899202,0.0,,,,,,0.0,,0.0,,0.0,0.0,,,,,0.0
CC(=O)Nc1ccc(C(=O)n2nc(C)cc2C)cc1,CID675868,,0.0,,,,,,,,,,,0.0,,,,
COC(=O)c1cn(C(=O)c2ccccc2F)nc1N,CID3237934,0.0,,,,,,,,,,,,0.0,,,,
COc1c(Cl)cc(Cl)cc1C(=O)n1nc(C)cc1C,CID768297,,,,,,,,,,0.0,,,,,,,
Cc1cc(C)n(C(=O)c2ccccc2[N+](=O)[O-])n1,CID757866,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)n2ncc(C#N)c2N)cc1,CID2405928,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)n2nc(C)cc2C)cc1OC,CID753833,,0.0,,0.0,,,0.0,0.0,0.0,0.0,,,,0.0,,0.0,
CCOc1ccccc1C(=O)n1nc(C)cc1C,CID898261,,,,,,,,,0.0,0.0,,,,0.0,0.0,,
CCC(=O)Nc1ccc(C(=O)n2nc(C)cc2C)cc1,CID878793,,,,0.0,,,,,0.0,,,,0.0,,,0.0,
COc1cc(NC(=O)c2nccnc2C(=O)O)cc(OC)c1,CID5308438,,,,,,,,,,,,,,0.0,,,
CC(C)c1ccccc1NC(=O)c1cnccn1,CID870915,,0.0,0.0,0.0,,,0.0,0.0,,,,,0.0,0.0,0.0,,
CCOc1ccc(NC(=O)c2cnccn2)cc1,CID862101,,,,,,,,,0.0,,,,,,0.0,,
CCOC(=O)c1cc(NC(=O)c2cnccn2)cc(C(=O)OCC)c1,CID1246158,,,0.0,,,,,0.0,,,,,,,,,
CC(=O)c1cccc(NC(=O)c2nccnc2C(=O)O)c1,CID3237673,,,,,,,,,,,,0.0,,,,,
CCCCOC(=O)c1ccc(NC(=O)c2cnccn2)cc1,CID2165258,,0.0,,0.0,,,,,0.0,,,,,0.0,0.0,0.0,
CSc1cccc(NC(=O)c2cnccn2)c1,CID695407,,,,,,,,,,0.0,,,,,,,
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cnccn1,CID897509,,,,,,,,,,,,,,,0.0,,
Cc1ccc(NC(=O)c2cnccn2)cc1,CID746705,,,,,,,,,,,,,,0.0,,,
Cc1cnc(C(=O)Nc2ccc(F)c(F)c2)cn1,CID650037,,0.0,,0.0,,,,,,,,,,,,,
O=C(Nc1ccc(Br)cc1Cl)c1cnccn1,CID1245695,0.0,,,,,,,,,,,,,,,,0.0
CCOC(=O)c1ccc(NC(=O)c2cnccn2)cc1,CID279843,,,,,,,,,0.0,,0.0,,,,,,
CCCOC(=O)c1ccc(NC(=O)c2cnccn2)cc1,CID1741049,,,0.0,,,,0.0,0.0,,,0.0,,,0.0,,,
Cc1ccc(NC(=O)c2cnccn2)c(OC(F)F)c1,CID1246611,,0.0,0.0,,,,,,,,,,,,,,0.0
CCCCOc1ccc(NC(=O)c2cnc(C)cn2)cc1,CID654186,,0.0,0.0,,0.0,,,,0.0,,,,,0.0,0.0,,
COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cnccn1,CID1247694,,,,,,,0.0,,,,,,,,,,
CCc1ccccc1NC(=O)c1cnccn1,CID673366,,0.0,0.0,,,,,0.0,,,,0.0,,0.0,,,
CSc1ccccc1NC(=O)c1cnccn1,CID1245978,,0.0,,0.0,,,,,,,0.0,,,,,0.0,0.0
CCCCc1ccc(NC(=O)c2cnccn2)cc1,CID2852872,,,,,,,,,,,,,,,0.0,,
Cc1cnc(C(=O)Nc2ccc(F)cc2)cn1,CID2447986,,,,,,,,,,,0.0,,,,,,
CCOC(=O)c1cccc(NC(=O)c2cnccn2)c1,CID650376,,,0.0,,,,,,,,,,0.0,,,,
O=C(Nc1ccc(Br)cc1)c1cnccn1,CID279869,,,,,,,0.0,,0.0,,,0.0,,,0.0,0.0,0.0
O=C(Nc1ccccc1Cl)c1cnccn1,CID279866,,0.0,,0.0,,0.0,0.0,,,,,,,,,0.0,0.0
CCOc1ccc(NC(=O)c2nccnc2CO)cc1,CID3238728,,0.0,,,,,,,,,,,0.0,,,,
COc1ccc(C(=O)N/C(=C\c2ccccc2)C(=O)NCCCN(C)C)cc1,CID2274046,,,,,,0.0,,,,,,,,,,,
COCCNC(=O)/C(=C/c1ccc(C(C)C)cc1)NC(=O)c1ccccc1,CID2274049,,,,,,0.0,,,,,,,,,,,
COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCC(C)C)cc1OC,CID1937554,,,,,,0.0,,,,,,,,,,,
CC(C)COc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)OC(C)C)cc1,CID5731832,,,,,,0.0,,,,,,,,,,,
CCCCOc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)OCCC)cc1,CID5732304,,,,,,0.0,,,,,,,,,,,
COc1ccccc1C(=O)N/C(=C\c1ccccc1)C(=O)NC(C)C(=O)O,CID5763735,,,,,,,,,,,,,,,0.0,,
COc1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)NCCCC(=O)O)cc1,CID5765765,,,,,,,,,,,,,,,0.0,,
CC(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCCN(C)C)cc1,CID1906220,,,,,,0.0,,,,,,,,,,,
COc1ccccc1C(=O)N/C(=C/c1ccc(Br)cc1)C(=O)NCC(=O)O,CID2270495,,,,,,,,,,,,0.0,,,,,
C=CCNC(=O)/C(=C/c1ccc(C(C)C)cc1)NC(=O)c1ccccc1,CID2274146,,,,,,0.0,,,,,,,,,,,
COCCCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(OC)cc1,CID1925923,,,,,,0.0,,,,,,,,,,,
Cc1ccc(/C=C(\NC(=O)c2ccc(C)cc2)C(=O)NC(C)C)cc1,CID2131938,,,,,,0.0,,,,,,,,,,,
COc1ccccc1C(=O)N/C(=C/c1ccccc1)C(=O)NC(CCSC)C(=O)O,CID5729239,,,,,,0.0,,,,,,,,,,,
COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCC(C)C)cc1,CID2131942,,,,,,0.0,,,,,,,,,,,
CNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(OC)cc1,CID2891522,,,,,,0.0,,,,,,,,,,,
COc1ccc(/C=C(/NC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)NCCCN(C)C)cc1,CID5907280,,,,,,,,,,,,,,,0.0,,
C=CCNC(=O)/C(=C/c1ccc(C)cc1)NC(=O)c1ccc(C)cc1,CID2131940,,,,,,0.0,,,,,,,,,,,
CCCCNC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccc(OC)cc1,CID2131944,,,,,,0.0,,,,,,,,,,,
CCOC(=O)CNC(=O)/C(=C\c1ccc(F)cc1)NC(=O)c1ccccc1,CID5766792,,,,,,,,,,,,,,,0.0,,
COc1ccccc1C(=O)N/C(=C/c1ccc(Br)cc1)C(=O)NCCO,CID1917246,,,,,,,,,,,,0.0,,,,,
CCCCNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccc(OC)cc1,CID2131894,,,,,,0.0,,,,,,,,,,,
CC(C)CNC(=O)/C(=C/c1ccc(N(C)C)cc1)NC(=O)c1ccccc1,CID2131895,,,,,,0.0,,,,,,,,,,,
CCN(CC)C(=O)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccccc1OC,CID5729182,,,,,,,,,,,,0.0,,,,,
Cc1ccc(C(=O)N/C(=C\c2ccc(Cl)cc2)C(=O)NCC(C)C)cc1,CID2892118,,,,,,0.0,,,,,,,,,,,
Cc1nc(N)sc1-c1csc(Nc2ccccc2)n1,CID2866410,,,0.0,0.0,0.0,,,,0.0,0.0,,,,,,,
COc1ccc(Nc2nc(-c3sc(N)nc3C)cs2)cc1,CID651724,,0.0,,,0.0,,,,0.0,,0.0,,,,,0.0,
COc1ccccc1Nc1nc(-c2sc(NC(=O)CC(C)C)nc2C)cs1,CID11958460,,,,,,0.0,,,,,,,,,,,
Cc1cc(O)ccc1Nc1nc(-c2sc(N)nc2C)cs1,CID972952,,0.0,,,,,,,,0.0,,,,,,,
CCCCCC(=O)Nc1nc(C)c(-c2csc(Nc3ccccc3OC)n2)s1,CID11958459,,,,,,0.0,,,,,,,,,,,
CCC(C)C(=O)Nc1nc(C)c(-c2csc(Nc3cc(OC)ccc3OC)n2)s1,CID11958454,,,,,,0.0,,,,,,,,,,,
CCCCC(=O)Nc1nc(C)c(-c2csc(Nc3cc(OC)ccc3OC)n2)s1,CID11958456,,,,,,0.0,,,,,,,,,0.0,,
CCCCCCC(=O)Nc1nc(C)c(-c2csc(Nc3cc(OC)ccc3OC)n2)s1,CID11958451,,,,,,0.0,,,,,,,,,,,
CCCC(C)C(=O)Nc1nc(C)c(-c2csc(Nc3cc(OC)ccc3OC)n2)s1,CID11958452,,,,,,0.0,,,,,,,,,,,
COc1ccc(OC)c(Nc2nc(-c3sc(NC(=O)C(C)(C)C)nc3C)cs2)c1,CID11958453,,,,,,0.0,,,,,,,,,,,
CCCC(C)C(=O)Nc1nc(C)c(-c2csc(Nc3ccc(Cl)cc3)n2)s1,CID11958615,,,,,,,,,,,,,,0.0,,,
Cc1nc(N)sc1-c1csc(N(C)c2ccc(O)cc2)n1,CID973174,,0.0,,,0.0,,0.0,,,0.0,,,,,,,
CCCCCCC(=O)Nc1nc(C)c(-c2csc(Nc3ccccc3OC)n2)s1,CID11958502,,,,,,0.0,,,,,,,,,,,
COc1cccc(Nc2nc(-c3sc(NC(=O)CC(C)C)nc3C)cs2)c1,CID11958500,,,,,,0.0,,,,,,,,,,,
COc1ccccc1Nc1nc(-c2sc(NC(=O)C(C)(C)C)nc2C)cs1,CID11958501,,,,,,0.0,,,,,,,,,,,
COc1ccc(OC)c(Nc2nc(-c3sc(N)nc3C)cs2)c1,CID654122,,,,,0.0,,,,0.0,0.0,0.0,,0.0,,,,
CCCCCCC(=O)Nc1nc(C)c(-c2csc(Nc3ccc(Cl)cc3)n2)s1,CID11958440,,,,,,,,,,,,,,0.0,,,
COc1ccc(OC)c(Nc2nc(-c3sc(C)nc3C)cs2)c1,CID3144344,0.0,,,0.0,0.0,0.0,,,,0.0,0.0,,0.0,,,0.0,
CCCCCCC(=O)Nc1nc(C)c(-c2csc(Nc3cccc(OC)c3)n2)s1,CID11958607,,,,,,0.0,,,,,,,,,0.0,,
C=CCCC(=O)Nc1nc(C)c(-c2csc(Nc3cccc(OC)c3)n2)s1,CID11958608,,,,,,,,,,,,0.0,,,,,
COc1cccc(Nc2nc(-c3sc(N)nc3C)cs2)c1,CID973077,,,,0.0,0.0,,,,0.0,0.0,,0.0,,,,,
CCCCCC(=O)Nc1nc(C)c(-c2csc(Nc3cc(OC)ccc3OC)n2)s1,CID11958524,,,,,,0.0,,,,,,,,,,,
CCOc1ccccc1Nc1nc(-c2sc(C)nc2C)cs1,CID746678,,,,,,,,,,,,,,,0.0,,
CCCCCC(=O)Nc1nc(C)c(-c2csc(Nc3cc(Cl)ccc3C)n2)s1,CID11958623,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1ccc(NC(=O)Nc2ccccn2)cc1,CID6468586,,,,,,,,,,,,,,,0.0,,
COc1ccccc1NC(=O)Nc1ncccc1C,CID651733,,0.0,0.0,,,0.0,,,,,,,0.0,,,,
COc1ccc(C)cc1NC(=O)Nc1ccc(Br)cn1,CID971034,,,,,,,,,0.0,,,0.0,,,0.0,,
O=C(Nc1ccc(F)cc1)Nc1ccc(Cl)cn1,CID661457,0.0,0.0,,,,,0.0,,,,,,,,,0.0,
COc1ccc(NC(=O)Nc2ncccc2C)cc1,CID790701,,,,,,,,,,,,0.0,,,,,
Cc1ccnc(NC(=O)Nc2cccc(F)c2)c1,CID653592,,,,0.0,,,,,,,,,,,,,
COc1ccc(NC(=O)Nc2cccc(C)n2)cc1,CID790705,,0.0,,0.0,,,,0.0,,,,,,,,0.0,
Cc1ccc(NC(=O)Nc2ncccc2C)cc1,CID790700,,,,,,,,,,,,,,0.0,,,
Cc1cccc(NC(=O)Nc2cccc(C#N)c2)n1,CID5309368,0.0,,,0.0,,,,,,,,,,,,0.0,
COc1ccccc1NC(=O)Nc1ccc(Br)cn1,CID2103170,,,,,,,0.0,,0.0,,0.0,,,,,0.0,0.0
COC(=O)c1ccccc1NC(=O)Nc1ccc(C)cn1,CID971702,,,,,,,,,,,,,,,0.0,,
O=C(Nc1cccc(Cl)c1)Nc1ccc(Cl)cn1,CID878385,,,,,,,,,0.0,,,,,,,,
COC(=O)c1ccccc1NC(=O)Nc1cc(C)cc(C)n1,CID971446,0.0,,,,,,,,0.0,,,0.0,0.0,,0.0,,
Cc1ccc(NC(=O)Nc2ccc(F)cc2)nc1,CID701006,,,0.0,0.0,,,,,,,0.0,,,,,,
Cc1cccc(NC(=O)Nc2ccc(C)c(C)c2)n1,CID769350,,,,,,,,,,,,0.0,,,,,
Cc1ccnc(NC(=O)Nc2ccc(F)cc2)c1,CID708785,,,,0.0,,,,,,,,0.0,,,,,
COC(=O)c1ccccc1NC(=O)Nc1cc(C)ccn1,CID6467137,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccccc1NC(=O)Nc1ncccc1C,CID6467130,,,,,,,,,,,,,,0.0,,,
O=C(Nc1cccc(F)c1)Nc1ccccn1,CID781174,,0.0,0.0,,,0.0,,,,,,,,,,,
O=C(Nc1ccccc1)Nc1ccccn1,CID221427,,,,,,,,,,,,0.0,,0.0,,,
Cc1cccnc1NC(=O)Nc1cccc(C(F)(F)F)c1,CID970494,0.0,,,0.0,0.0,,0.0,,0.0,0.0,,,,,,,0.0
Cc1cccnc1NC(=O)Nc1ccc(F)cc1,CID708788,,,,,,,,0.0,,,,0.0,,,,,
Cc1cccc(NC(=O)Nc2cccc(F)c2)n1,CID808384,,0.0,,,,,,,,,0.0,,,,,,
COc1ccc(NC(=O)Nc2ccc(Br)cn2)cc1OC,CID1298055,,,,,,,,,0.0,,,,,,0.0,,
CCN(CC)CC(=O)n1c2c(c3ccccc31)CCCC2,CID869171,,,,0.0,,0.0,,,,,,,0.0,,,,
O=C(O)Cn1c2c(c3ccccc31)CCCC2,CID1089490,,,,,,0.0,,,0.0,,,,0.0,,,0.0,
Cc1ccc2[nH]c3c(c2c1)CCCC3C(N)=O,CID661302,,,,0.0,,,0.0,,,0.0,,,,,,,
CCOC(=O)c1ccc2[nH]c3c(c2c1)CCCC3O,CID2840871,,,,,,,,,,,,,,0.0,,,
O=CNC1CCCc2c1[nH]c1ccc(Cl)cc21,CID2840612,0.0,0.0,,,,,0.0,,,0.0,,,,,,,0.0
O=C(O)CCn1c2c(c3ccccc31)CCCC2,CID778449,,,,,,,,,0.0,,,,,,,,
CCS(=O)(=O)NCc1ccc2[nH]c3c(c2c1)CCCC3,CID3240658,,,0.0,,0.0,,,,,,,,,,,,
NC(=O)c1cc(Br)cc2c3c([nH]c12)CCCC3,CID658319,0.0,,,,,,,,,,,,,,,,0.0
O=[N+]([O-])c1ccc2[nH]c3c(c2c1)CCCC3O,CID2829165,,,,,,,,,,,,,,0.0,,,
Cc1ccc2c(c1)c1c(n2CC(O)CNC(CO)(CO)CO)CCCC1,CID3788105,,,,,0.0,,,,,,,,0.0,,,,
O=C(O)CCC(=O)NCc1ccc2[nH]c3c(c2c1)CCCC3,CID3651146,,,,,,,,,,,,,0.0,,,,
Cc1ccc2c(c1)c1c(n2C)C(C(N)=O)CCC1,CID2831741,,,,0.0,,,0.0,,,,,,0.0,,,,
CCOC(=O)CNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3,CID607870,0.0,,,0.0,,,,,,,,,,,,,
CCOC(=O)C1CCCc2c1[nH]c1c(C(=O)O)cccc21,CID2916358,,,,,,0.0,,,,0.0,,,,,,0.0,0.0
C/C(=N\O)c1ccc2c3c([nH]c2c1)CCCC3,CID873533,,0.0,,0.0,,,,,,,,0.0,,,,0.0,
CCCC(C)NC(=O)c1ccc2[nH]c3c(c2c1)CC(C)CC3,CID4869077,,,,,,,,,,,,0.0,,,,,
NC(=O)NC1CCCc2c1[nH]c1ccc(Cl)cc21,CID2883009,,,,0.0,,,,,,,,,,,,,
O=C(NCCCO)c1ccc2[nH]c3c(c2c1)CCCC3,CID1608595,,,,,,,,,,,,0.0,,,,,
O=C(NCCO)c1ccc2[nH]c3c(c2c1)CCCC3,CID1604980,,,,,,,,,,,0.0,0.0,0.0,,,,
NC(=O)CNC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21,CID609412,0.0,,,0.0,,,,,,,,,,,,,
NC(=O)c1cccc2c3c([nH]c12)CCCC3,CID752807,,,,0.0,,,0.0,,,,,,,,,,
COC(=O)Cn1c2c(c3cc(C)ccc31)CCCC2,CID658349,,,,,,,,0.0,,,0.0,,,,,0.0,
CCOC(=O)C1CCCc2c1[nH]c1c(C(N)=O)cccc21,CID3724446,,,,,,,,,0.0,0.0,,,,,,,
CCN(CC)C(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21,CID2859649,0.0,0.0,0.0,,,,,,0.0,0.0,,,,,,0.0,0.0
CN1C(=O)C(=CNc2ccc(Cl)cc2)C(=O)N(C)C1=O,CID5310900,,,,,,,,,,,0.0,,,,,,
C=CCN1C(=O)/C(=C\Nc2cccc([N+](=O)[O-])c2)C(=O)N(CCCC)C1=O,CID6258859,,,,,,0.0,,,,,,,,,,,
CCCCN1C(=O)NC(=O)/C(=C(/CC)Nc2cccc(C(=O)O)c2)C1=O,CID5389463,,,,,,,0.0,,,0.0,,,,,,,
CCCCN1C(=O)NC(=O)/C(=C(/CC)Nc2ccc(C(=O)O)cc2)C1=O,CID5390011,,,0.0,,,,,,,,,,,,,,
C=CCN1C(=O)NC(=O)/C(=C(\C)Nc2cc(OC)ccc2OC)C1=O,CID5389482,,,0.0,,,,,0.0,,,,,,,,,
CCCCN1C(=O)NC(=O)/C(=C(/CC)Nc2ccc(OC)cc2OC)C1=O,CID5921947,,,,,,,,,,0.0,0.0,,,,,,
CCCCN1C(=O)NC(=O)/C(=C(/CC)Nc2ccc(OCC)cc2)C1=O,CID5389658,,,0.0,,,,,,,,,,0.0,,,,
C=CCN1C(=O)NC(=O)/C(=C(/CC)Nc2ccccc2NC(=O)CC)C1=O,CID5389517,,,,,,0.0,,,,,0.0,,,,,,
C=CCN1C(=O)NC(=O)/C(=C(/C)Nc2ccc(C(=O)OCC)cc2)C1=O,CID5389499,,,,,,,,0.0,,,,,,,,,
CCCCN1C(=O)/C(=C/Nc2cc([N+](=O)[O-])ccc2OC)C(=O)N(CCCCl)C1=O,CID5583869,,,,,,,,,,,,,,,0.0,,
CCC(Nc1ccc(OC)cc1OC)=C1C(=O)N(C)C(=O)N(C)C1=O,CID5389662,,,,0.0,,,,0.0,,,,,0.0,,,,
CCC(Nc1ccc(OC)cc1OC)=C1C(=O)NC(=O)NC1=O,CID5389666,,,,0.0,,,,,,,,,,,,,
C=CCN1C(=O)NC(=O)/C(=C(/CC)Nc2cc(OC)ccc2OC)C1=O,CID5389502,,,0.0,,,,,,,,,,,,,,
C=CCN1C(=O)NC(=O)/C(=C\Nc2ccc(N(CC)CC)cc2)C1=O,CID5389174,,,,0.0,,,,,,,,,,,,,0.0
COc1ccccc1NC=C1C(=O)N(C)C(=O)N(C)C1=O,CID5310922,,,0.0,,,,,,,,,,,,,,
C=CCN1C(=O)NC(=O)/C(=C(/C)Nc2ccc(NC(C)=O)cc2)C1=O,CID5389635,,0.0,,,,,,,,,,,0.0,,,,
C=CCN1C(=O)NC(=O)/C(=C(/C)Nc2ccc(N(C)C)cc2)C1=O,CID5389628,,,,0.0,,,0.0,,,,,,,,,,
CCC(Nc1ccccc1NC(C)=O)=C1C(=O)N(C)C(=O)N(C)C1=O,CID5389092,,,,,,,,0.0,,,,,,0.0,,,
Cc1cc(Cl)ccc1NC=C1C(=O)N(C)C(=O)N(C)C1=O,CID5310654,,,,,,0.0,0.0,,,,,,0.0,,,,
COc1ccc(NC(C)=C2C(=O)N(C)C(=O)N(C)C2=O)c(OC)c1,CID5389591,,0.0,0.0,,,,,0.0,,,,,,,,,0.0
C=CCN1C(=O)NC(=O)/C(=C(/CC)Nc2ccc(N(CC)CC)cc2)C1=O,CID5389598,,,0.0,,,,,0.0,,,,,,,,,
CCCCN1C(=O)NC(=O)/C(=C(/C)Nc2ccc(C(=O)O)cc2)C1=O,CID5389682,,,0.0,,,,,,,,,,,,,,
C=CCN1C(=O)NC(=O)/C(=C\Nc2ccc(OC)cc2C)C1=O,CID5389963,,,,,,,,,,,,,0.0,,,,
CCCCN1C(=O)NC(=O)/C(=C(\C)Nc2ccc(OCC)cc2)C1=O,CID5389574,,,,0.0,,0.0,0.0,,,,,,,,,,
CCCc1[nH]nc2c1C(c1ccc(OC)cc1OC)C(C#N)=C(N)O2,CID653868,0.0,,,0.0,,,,0.0,,,,,,,,,
CCCc1[nH]nc2c1C(c1ccc(O)c(OC)c1)C(C#N)=C(N)O2,CID652676,,,0.0,,,,,0.0,0.0,0.0,,,0.0,,,0.0,
CCOC(=O)Cc1[nH]nc2c1C(c1cc(OC)ccc1OC)C(C#N)=C(N)O2,CID660513,,,,,,,,,,,0.0,,,,,,
CCOc1ccccc1C1C(C#N)=C(N)Oc2n[nH]c(CC)c21,CID3237136,,,,,,,,0.0,,,,,0.0,,,0.0,
COCc1[nH]nc2c1C(c1ccccc1OC)C(C#N)=C(N)O2,CID647912,,,,,,,0.0,,,,,,,,,0.0,0.0
COCc1[nH]nc2c1C(c1cccc(OC)c1)C(C#N)=C(N)O2,CID657531,,,,,,,,,,,,,,,,0.0,
CCCc1[nH]nc2c1C(c1ccc(O)cc1OCC)C(C#N)=C(N)O2,CID3245454,0.0,0.0,,,,,,0.0,,,,,,,,,
Cc1ccc(C2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1,CID651013,,,,,,,,,,,0.0,,,,,0.0,
CCCc1[nH]nc2c1C(c1cccc(OC)c1)C(C#N)=C(N)O2,CID657536,,,,,,,0.0,,,,,,,,,,
COc1ccc(F)c(C2C(C#N)=C(N)Oc3n[nH]c(C(C)(C)C)c32)c1,CID655032,,,,,,,,0.0,0.0,0.0,0.0,,,,,0.0,
COCc1[nH]nc2c1C(c1ccccc1F)C(C#N)=C(N)O2,CID648896,,,,,,,,0.0,,0.0,,,,,,,
CCCc1[nH]nc2c1C(c1cc(OC)ccc1F)C(C#N)=C(N)O2,CID660417,,,,,,,0.0,,,,0.0,,,,,,
CCOC(=O)Cc1[nH]nc2c1C(c1cccc(OC)c1OC)C(C#N)=C(N)O2,CID654795,,,0.0,,,,,0.0,,,,,,,,,
CCCc1[nH]nc2c1C(c1ccccc1OC)C(C#N)=C(N)O2,CID645658,,,,0.0,,0.0,,,0.0,,0.0,,,,,0.0,
COCc1[nH]nc2c1C(c1ccc(OC)cc1)C(C#N)=C(N)O2,CID657572,,,0.0,,,,0.0,0.0,,,,,,,,,
COCc1[nH]nc2c1C(c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2,CID647209,,,0.0,,,,,,,,0.0,,0.0,,,0.0,
Cc1[nH]nc2c1C(c1ccc(F)cc1)C(C#N)=C(N)O2,CID600141,,,0.0,,,,,,,,,,,,,,
COCc1[nH]nc2c1C(c1ccc(F)cc1F)C(C#N)=C(N)O2,CID651411,0.0,0.0,,,,,,,,,,,,,,,
CCCc1[nH]nc2c1C(c1ccccc1OCC)C(C#N)=C(N)O2,CID644905,0.0,,,,,,,0.0,,,0.0,,,,,0.0,
Cc1[nH]nc2c1C(c1ccc(Cl)cc1)C(C#N)=C(N)O2,CID651698,,,,,,,,,,,,0.0,,,,0.0,
COCc1[nH]nc2c1C(c1c(F)cccc1Cl)C(C#N)=C(N)O2,CID654470,0.0,0.0,,,,,0.0,,,,,,,,,0.0,
COCc1[nH]nc2c1C(c1ccccc1Cl)C(C#N)=C(N)O2,CID644929,,,,,,,0.0,,,,0.0,,,,,,
COCc1[nH]nc2c1C(c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2,CID652273,,0.0,,,,,,,,,0.0,,,,,0.0,
CCCc1[nH]nc2c1C(c1cc(OC)cc(OC)c1)C(C#N)=C(N)O2,CID650136,,,0.0,,,,,0.0,0.0,,0.0,,,,,,
CS(=O)(=O)N(CC(=O)Nc1ccccc1)Cc1ccc(Cl)cc1,CID1294439,,,,,,,,,,0.0,,,,,,,
CC(C)c1ccc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1,CID1021179,,,,,,,,,,,,0.0,,,,,
CCOc1ccc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1,CID1021176,,,,,,,,,,,,,,0.0,,,
CCOc1ccccc1NC(=O)CN(Cc1ccccc1)S(C)(=O)=O,CID1021175,,0.0,0.0,,,,,,0.0,,0.0,,,,,,
CSc1ccc(CN(C)CC(=O)Nc2cccc(Br)c2)cc1,CID2699473,,,,,,,,,,,,,,0.0,,,
CN(CC(=O)Nc1ccc(F)cc1[N+](=O)[O-])Cc1ccccc1,CID4556994,,,,,,,,,,,,,,0.0,,,
CSc1cccc(NC(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)c1,CID2222608,,,,,,,,,0.0,,,,,,0.0,,
COc1ccc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)c(OC)c1,CID1021177,,,,,,,,,,0.0,,,,,,,
CC(=O)c1cccc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)c1,CID982223,,,,0.0,,,,,0.0,,,,,,,,
Cc1ccc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1C,CID838547,,,,,,,,,0.0,,0.0,0.0,,,,,
COc1ccc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1,CID838546,,,,,,,,,,,0.0,,,,,,
COc1cccc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)c1,CID838544,,,,,,,,,,,,,,0.0,,,
CS(=O)(=O)N(CC(=O)Nc1cccc(F)c1)Cc1ccccc1,CID838549,,0.0,,,,,0.0,0.0,,,,0.0,0.0,,,,
Cc1cc(C)cc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)c1,CID838548,,,,,,,,,0.0,,,0.0,,,,,
O=C(CNCc1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-],CID4187904,,,,,,,,,,,,,,,0.0,,
COc1cc(NC(=O)CN(C)Cc2cccc(F)c2)c(C)cc1[N+](=O)[O-],CID3952413,,,,,,,,,,,,,,0.0,,,
COc1ccc(CN(C)CC(=O)Nc2c(C)cccc2C)c(OC)c1,CID2109219,,,,,,,,,,,,,,,0.0,,
CN(CC(=O)Nc1ccc(C#N)cc1)Cc1ccc(Cl)cc1,CID2698824,0.0,,0.0,0.0,,0.0,0.0,,,,0.0,,,,,,0.0
COC(=O)c1ccccc1NC(=O)CN(Cc1ccccc1)S(C)(=O)=O,CID2192830,,0.0,0.0,,,,,,0.0,0.0,,,0.0,,,0.0,
CCOC(=O)c1ccc(NC(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1,CID2228143,,,,,,,,,0.0,,,0.0,,,,,
COC(=O)c1ccccc1NC(=O)CN(Cc1ccc(Cl)cc1)S(C)(=O)=O,CID1294441,,,,,,,,,0.0,,,0.0,,,,,
COC(=O)c1ccc(NC(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1,CID2968437,,,,,,,,,,,,0.0,,,,,
CSc1ccccc1NC(=O)CN(Cc1ccc(Cl)cc1)S(C)(=O)=O,CID2228275,,,0.0,,,,0.0,,0.0,,,,,,0.0,,
CSc1ccccc1NC(=O)CN(Cc1ccccc1)S(C)(=O)=O,CID2202721,,,,,0.0,,,,,0.0,0.0,,0.0,0.0,,,
CCOc1c(Cl)cnn(-c2ccc(C)cc2)c1=O,CID1487487,,,,,,,,,,,,,,0.0,,,
COC(=O)c1nn(-c2ccc(OC)cc2)c(=O)cc1NN,CID1473659,,,,,,,,,,,,,,,0.0,,
COC(=O)Nc1nn(-c2ccc(C)cc2)c(=O)c(C#N)c1C,CID1505853,,,,,,,,,,,,,,0.0,,,
CSc1cnn(-c2ccccc2)c(=O)c1SC,CID2843418,,,,,0.0,0.0,0.0,,,,0.0,,0.0,0.0,0.0,,
CCCCOC(=O)C(C)Oc1ccc(=O)n(-c2ccccc2)n1,CID4619761,0.0,,0.0,,,,,,,,,,,,,,
CC(C)(C)c1ccc(-n2nc(C#N)c(Cl)cc2=O)cc1,CID2766929,,,,,,,,,,,,,,,0.0,,
CCSc1cnn(-c2ccccc2)c(=O)c1SCC,CID621902,,,,,,,,,,,0.0,,,0.0,,,
COc1cnn(-c2ccccc2)c(=O)c1N(C)C,CID767634,,,,,,,,0.0,0.0,,,,,,0.0,0.0,
CN(C)CCNc1cnn(-c2ccccc2)c(=O)c1Cl,CID718872,,,,,,,,,,,,,,,0.0,,
CCOC(=O)C(Oc1ccc(=O)n(-c2ccccc2)n1)C(C)=O,CID2913510,0.0,,0.0,,,,,,,,,,0.0,,0.0,,
CCCCSc1cnn(-c2ccccc2)c(=O)c1SCCCC,CID1819468,,,,,,,,,,,,0.0,,,,,
NC(=O)COc1ccc(=O)n(-c2ccccc2)n1,CID845176,,,,,,,,0.0,,,,,,,,,
CCOC(=O)c1nn(-c2ccccc2)c(=O)c(C#N)c1C,CID648952,,0.0,,,,,,,,,,,0.0,0.0,0.0,,
CCOC(=O)C(C)Oc1ccc(=O)n(-c2ccccc2)n1,CID663144,,,,,,,0.0,,,0.0,,,0.0,,,,
COc1cc(Cl)nn(-c2ccccc2)c1=O,CID555795,,,,,,,,,,,,,,0.0,,,
Cc1c(C(=O)O)nn(-c2ccccc2)c(=O)c1C#N,CID956615,,,0.0,,,,,0.0,,,,,,,,,
Cc1ccccc1-n1nc(C(=O)O)c(C)c(C#N)c1=O,CID930113,,,,,,,0.0,,,,,,0.0,,,,
CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1SC(C)CC,CID3534203,,,,,,0.0,,,,,,,,,,,
COc1cnn(-c2ccc(C)cc2)c(=O)c1Br,CID1487493,,,,,,,,,,,,,,0.0,,,
COc1cnn(-c2ccc(F)cc2)c(=O)c1Br,CID1487494,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1SC(C)C,CID1486243,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1nn(-c2ccccc2C)c(=O)c(C#N)c1C,CID654715,,,0.0,,,,,,0.0,,,,0.0,0.0,,,
CCOc1ccc(=O)n(-c2ccccc2)n1,CID824731,,,,,,,,,0.0,0.0,,,,,0.0,,
CCCSc1cc(=O)n(-c2ccccc2)nc1C(=O)OCC,CID4342214,,,,,,,,,,,,0.0,,,,,
CN(C)C(=O)CSc1nnc(CCCCCNC(=O)OC(C)(C)C)o1,CID663083,,,,0.0,,,,,,,,,,,,,
CCOC(=O)CSc1nnc(C(NC(=O)OC(C)(C)C)C(C)C)o1,CID665697,,,,,,,,,,,,,,,0.0,,
CC(NC(=O)OC(C)(C)C)c1nnc(SCC(N)=O)o1,CID663039,,,,0.0,,,,,,,,,,,,,
CCN(CC)C(=O)CSc1nnc(C(CCSC)NC(=O)OC(C)(C)C)o1,CID665262,,,,,,0.0,,,,,,,,0.0,,,
CSc1nnc(C(NC(=O)OC(C)(C)C)C(C)C)o1,CID662268,,,0.0,0.0,,,,0.0,,,,0.0,,,,,
CCCCSc1nnc(C(C)NC(=O)OC(C)(C)C)o1,CID5389697,,,0.0,,,,,0.0,,,,,0.0,,,,
CCCCSc1nnc(CCCCCNC(=O)OC(C)(C)C)o1,CID662652,,,,,,,0.0,,,,,,,,,,
CCOC(=O)CSc1nnc(C(C)NC(=O)OC(C)(C)C)o1,CID665704,,,,,,,,0.0,,,,,,,,,0.0
COC(=O)CSc1nnc(C(CC(C)C)NC(=O)OC(C)(C)C)o1,CID667205,,,,,,,,,0.0,,,,,,,,
CCOC(=O)CSc1nnc(C(CC(C)C)NC(=O)OC(C)(C)C)o1,CID665542,,0.0,0.0,0.0,,,,,,,,,,,,,
C=C(C)CSc1nnc(CCNC(=O)OC(C)(C)C)o1,CID663259,,,,0.0,,,,0.0,,,,,0.0,,,,
CN(C)C(=O)CSc1nnc(CCNC(=O)OC(C)(C)C)o1,CID662535,,,,0.0,,,,0.0,,,,,,,,0.0,
CSCCC(NC(=O)OC(C)(C)C)c1nnc(SCC=C(C)C)o1,CID667407,,,0.0,,,,,,,,,,,,,,
CC(C)Sc1nnc(C(C)NC(=O)OC(C)(C)C)o1,CID5389669,,,0.0,0.0,,,,,,,,,,,,,
CSCCC(NC(=O)OC(C)(C)C)c1nnc(SCC(=O)N(C)C)o1,CID665342,,,,,,,,,,,,,0.0,,,,
CC(C)=CCSc1nnc(C(NC(=O)OC(C)(C)C)C(C)C)o1,CID663264,,0.0,,,,,,0.0,,,,,0.0,,,,
C=C(C)CSc1nnc(C(CCSC)NC(=O)OC(C)(C)C)o1,CID665383,,,0.0,0.0,,0.0,0.0,,,,0.0,,,,,,
CC(C)(C)OC(=O)NCCc1nnc(SCC(N)=O)o1,CID662807,,0.0,,,,,,,,,,,,,,,
CCN(CC)C(=O)CSc1nnc(CCNC(=O)OC(C)(C)C)o1,CID663025,,,,,,,,,,,0.0,,0.0,,,0.0,0.0
C=C(C)CSc1nnc(C(NC(=O)OC(C)(C)C)C(C)CC)o1,CID662769,,,,,,0.0,,,,,0.0,,0.0,,,,
CCCCSc1nnc(C(NC(=O)OC(C)(C)C)C(C)C)o1,CID662556,,,,,,0.0,,0.0,,,,,,,,,
CSc1nnc(C(C)NC(=O)OC(C)(C)C)o1,CID663122,,0.0,,0.0,,,,,,,,,,,,,
CCN(CC)C(=O)CSc1nnc(C(NC(=O)OC(C)(C)C)C(C)C)o1,CID662458,,,,,,,,,,,,,,,,0.0,0.0
CCN(CC)C(=O)CSc1nnc(CCCCCNC(=O)OC(C)(C)C)o1,CID662821,,,,0.0,,,,,,,,,,,,,
CCCn1c2ccc(/C(C)=N/O)cc2c2cc(/C(C)=N/O)ccc21,CID916005,,,,,,0.0,,,,,,0.0,,,,,
CCn1c2ccccc2c2cc(NC(=O)C(C)C)ccc21,CID1717915,,,,,,,,,,,,0.0,,,,,
CCn1c2ccccc2c2cc(N)ccc21,CID8588,,,,0.0,,,0.0,,,,,,,,,,
C/C(=N\O)c1ccc2c3ccccc3n(C)c2c1,CID752835,,0.0,,,,0.0,,0.0,,,,,,,,0.0,
CCN(CC)CC(O)Cn1c2ccccc2c2ccccc21,CID56209,,,,,,,,0.0,,,,,,,,0.0,
OCCOCCn1c2ccccc2c2ccccc21,CID657489,,,,0.0,,,,,,,,,,,,,
CC(=O)Nc1ccc2[nH]c3ccccc3c2c1,CID151368,,,0.0,0.0,,,,,,,,0.0,,0.0,,,
CCn1c2ccc(/C(C)=N/O)cc2c2cc(/C(C)=N/O)ccc21,CID916279,,,,,,0.0,,,,,,,,,,,
COc1ccc2c(c1)c1ccccc1n2C,CID2059429,,,,,,,,,,,,0.0,0.0,,,0.0,0.0
COc1ccc2[nH]c3ccccc3c2c1,CID519621,,,,,,0.0,,,,,,,,,,0.0,
C=CCN(CC=C)CC(O)Cn1c2ccccc2c2ccccc21,CID3239626,,,,,,0.0,,0.0,,,,,,,,,
OCCOCCOCCn1c2ccccc2c2ccccc21,CID658559,,0.0,0.0,,,,,,,,,,,,,0.0,
CCOC(=O)c1ccc2[nH]c3ccccc3c2c1,CID1935506,,,,,,,,,,,,,,,0.0,,
Cn1c2ccccc2c2ccc(CC(=O)O)cc21,CID2295886,,,0.0,,,0.0,,,0.0,,,,0.0,,,0.0,
CC(C)Cn1c2ccccc2c2cc(C(=O)O)ccc21,CID2195915,,,,,,,,,,0.0,,,,,,,
CN(C)CCCNC(=O)c1ccc2[nH]c3ccccc3c2c1,CID1736507,,,,0.0,,,,,,,,,0.0,,,0.0,0.0
CCCn1c2ccccc2c2cc(C(=O)O)ccc21,CID4125742,,,,,,0.0,,,,,,0.0,,,,0.0,
COC(=O)Cc1ccc2c3ccccc3n(C)c2c1,CID2296002,,,,,,,,,0.0,,0.0,,,,,0.0,0.0
O=C(Nc1cccc2c1[nH]c1ccccc12)C(F)(F)F,CID1719380,,,,,,,,,0.0,,,,,,,,
Cc1ccc(C)c2c1[nH]c1ccc([N+](=O)[O-])cc12,CID154436,,,,,,,,,,0.0,,,,,,,
O=C(O)Cc1ccc2[nH]c3ccc(CC(=O)O)cc3c2c1,CID659058,,,,0.0,,,,0.0,,,,,,,,,
CCn1c2ccc(CC(=O)O)cc2c2cc(CC(=O)O)ccc21,CID872330,,,,,,0.0,,0.0,,,,,0.0,,,,
COc1ccc2[nH]c3ccc(OC)cc3c2c1,CID644464,,,,0.0,,,0.0,0.0,,,,,,,,0.0,
O=C(NCCCO)c1ccc2[nH]c3ccccc3c2c1,CID649097,,,0.0,0.0,,,0.0,,,,,,,,,,
CCNC(=O)CSc1ncnc2sccc12,CID2535833,,,,,,,,,,0.0,,,,,,,
CCc1cc2c(NCCC(=O)O)nc(C)nc2s1,CID654691,,0.0,0.0,,,,,,,,,,,0.0,,,
Cc1sc2nc(SC(C)C)nc(N)c2c1C,CID769361,,,,,,,0.0,,,,,,,,,,
CCc1cc2c(NC(C(=O)O)C(C)C)ncnc2s1,CID2930113,,0.0,,0.0,,,,,,0.0,,,,,,,
CC(C)NC(=O)COc1ncnc2sccc12,CID2496595,,,,,,,,,,,0.0,,,,,,
CCOC(=O)c1sc2nc(CC(=O)OC)nc(NCC(=O)OC)c2c1C,CID3244509,,,,,,,,,,,,,,,,,0.0
CCc1cc2c(NCCC(=O)O)ncnc2s1,CID647613,,,,,,,,,,,,,,,,0.0,
Cc1sc2nc(SCC(=O)NCCOCCO)nc(N)c2c1C,CID1632782,,,,,,,,,,,,,,0.0,,,
CCc1cc2c(NCCO)ncnc2s1,CID648537,,0.0,,0.0,,,0.0,,,,,,,,,,
Cc1nc(SCC#N)c2c(C)c(C)sc2n1,CID2953346,,,0.0,,,,0.0,,,,,,,,,,0.0
Cc1sc2ncnc(SC(C)C#N)c2c1C,CID2998142,,,,,,,,,,,,,0.0,,,,
CCOC(=O)c1sc2ncnc(OC)c2c1C,CID658409,,,,,,,,0.0,,,,,,,,,
CCc1cc2c(SCC(=O)O)ncnc2s1,CID762676,,,0.0,,,,,,,,,,,,,,0.0
CNC(=O)COc1ncnc2sc(C)c(C)c12,CID2085647,,,,,,,,,,0.0,,,,,,,
C=C(C)CSc1nc(N)c2c(C)c(C)sc2n1,CID650599,,0.0,,,,,0.0,,,,,,0.0,,,,
C=CCSc1nc(N)c2c(C)c(C)sc2n1,CID1632774,,,,,,,0.0,,,0.0,,,,,,,
Cc1sc2ncnc(OCC(=O)NC(C)C)c2c1C,CID2484145,,,,,,0.0,,,,0.0,,,,,,,
CCCNc1ncnc2sc(C)c(C)c12,CID652978,,,,,,,,,,0.0,,,,,,,
Cc1sc2ncnc(NCCCO)c2c1C,CID5307353,,,,,,,,,,,,,,,,,0.0
CC(C)CCNC(=O)NC(=O)COc1ncnc2sccc12,CID2614043,,,,0.0,,,,,,,,0.0,,,,0.0,
CCc1cc2c(NC(C)C(=O)O)ncnc2s1,CID659391,,0.0,,0.0,,,,,,,,,0.0,,,,
CC(C)NC(=O)NC(=O)COc1ncnc2sccc12,CID2614027,,,0.0,,,,,,,,,,0.0,,,,
Cc1sc2ncnc(SCC#N)c2c1C,CID1704748,,,0.0,0.0,,,0.0,,,,,,,,,,
CCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCc1ccccc1,CID3144844,,0.0,,0.0,,,0.0,,,,,,0.0,,,,
CCOC(=O)C(CC)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1CCc1ccccc1,CID658013,,,,0.0,,,,,,,,,,,,,
CCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCc1ccccc1,CID646025,0.0,0.0,,,,0.0,,0.0,,,,,,,,,
CCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCc1ccccc1,CID3117097,0.0,,,,,,,0.0,,,0.0,,0.0,,,,0.0
Cn1c(=O)c2c(nc(NCC(O)CO)n2CCc2ccccc2)n(C)c1=O,CID657527,,0.0,,,,,0.0,,,,,,,,,,
CCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCc1ccccc1,CID4537710,0.0,,,0.0,,,,0.0,,,,,,,,,
CC(C)CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCc1ccccc1,CID657915,0.0,,,,,,,0.0,,,,,,,,,0.0
CCC(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1CCc1ccccc1,CID652251,0.0,,,,,,,,,,,,,,,,
CCOC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCc1ccccc1,CID647310,,,,,,,0.0,0.0,0.0,,,,0.0,,,0.0,0.0
Cn1c(=O)c2c(nc(Br)n2CCc2ccccc2)n(C)c1=O,CID659282,0.0,,,,,,,,0.0,,,,,,0.0,,0.0
CCCCCOC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCc1ccccc1,CID647983,,,,,,,,,,,,,,,,0.0,
Cn1c(=O)c2c(nc(NCCO)n2CCc2ccccc2)n(C)c1=O,CID2962706,,0.0,0.0,0.0,,,,0.0,,,,,,0.0,,0.0,
Cn1c(=O)[nH]c(=O)c2c1nc(SCC(=O)O)n2CCc1ccccc1,CID660963,,0.0,,,,,,,,,0.0,,,,,0.0,
CCOC(=O)C(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1CCc1ccccc1,CID646702,,,,0.0,,,0.0,,0.0,,,,,,,,0.0
CCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1CCc1ccccc1,CID659484,,0.0,0.0,,,,,,,,0.0,0.0,,,,,
Cn1c(=O)c2c(nc(NCCCO)n2CCc2ccccc2)n(C)c1=O,CID654310,,0.0,0.0,,,,0.0,,,,,,,,,,0.0
CC(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1CCc1ccccc1,CID650224,0.0,0.0,,,,0.0,,,0.0,,0.0,,0.0,,,,
CC(C)=NNc1nc2c(c(=O)n(C)c(=O)n2C)n1CCc1ccccc1,CID3664666,,,,,,,,,,,,,,0.0,,,
CC(O)CNc1nc2c(c(=O)n(C)c(=O)n2C)n1CCc1ccccc1,CID657429,,,0.0,0.0,,,0.0,0.0,,,,,,,,,
CC(C)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCc1ccccc1,CID650973,,,,,,,,0.0,0.0,,0.0,,0.0,,,,0.0
CCOCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCc1ccccc1,CID655383,,,,,,,,,,0.0,,,,,,,
Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2CC(O)c1ccccc1,CID657872,0.0,,,,,,,,0.0,,,0.0,,,,,
COCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCc1ccccc1,CID654020,,,,,,0.0,,,,,0.0,,0.0,,,,
COC(=O)c1cc(OC)c(OC)cc1NC(=S)Nc1cccc(Cl)c1,CID1288351,,,,,,,,,,,,,,0.0,0.0,,
FC(F)(F)c1ccccc1NC(=S)Nc1cccc(Cl)c1,CID977001,,,,,,,,,,,,,,0.0,,,
Cc1cccc(NC(=S)Nc2ccc(Br)cc2)c1,CID977124,,,,,,,,,,,,,,0.0,,,
O=[N+]([O-])c1ccc(O)c(NC(=S)Nc2ccccc2)c1,CID3116400,,,,,,,,,,,,0.0,,,,,
Fc1cccc(NC(=S)Nc2ccc(Br)cc2)c1,CID976575,,,,,,,,,,,,,,0.0,,,
Fc1cc(Br)ccc1NC(=S)Nc1ccccc1,CID971690,,,,,,,,,,,,,,0.0,,,
CCC(C)c1ccc(NC(=S)Nc2ccc(OC)c(OC)c2)cc1,CID2954491,,,,,,,,,,,,0.0,,,,,
COc1ccc(NC(=S)Nc2ccccc2SC)c(OC)c1,CID972146,,,,,,,,,,,,,,0.0,,,
CC(=O)c1ccc(NC(=S)Nc2ccc(Br)c(Cl)c2)cc1,CID2211162,,,,,,,,,,,,,,0.0,,,
CC(=O)Nc1cccc(NC(=S)Nc2cccc(Cl)c2Cl)c1,CID2209137,,,,,,,,,,,,,,0.0,,,
S=C(Nc1ccccc1)Nc1cccc(Br)c1,CID875276,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC(=S)Nc2ccc(Br)cc2)cc1,CID977048,,,,,,,,,,,,,,0.0,,,
COc1ccc(NC(=S)Nc2cccc([N+](=O)[O-])c2)cc1,CID976347,,,,,,,,,0.0,0.0,,,,,,,
COC(=O)c1cc(OC)c(OC)cc1NC(=S)Nc1cc(Cl)ccc1OC,CID2207962,,,,,,,,,,,,,,,0.0,,
COc1ccc(NC(=S)Nc2ccc(N)c([N+](=O)[O-])c2)cc1,CID3555113,,,,,,,,,,,,,,,0.0,,
CCc1cccc(CC)c1NC(=S)Nc1ccccc1,CID894323,,,,,,,,,,,,,,,0.0,,
O=C(O)Cc1ccc(NC(=S)Nc2cccc(Cl)c2Cl)cc1,CID2210762,,,,,,,,,,,,,,0.0,,,
COc1ccc(Cl)cc1NC(=S)Nc1ccccc1F,CID976599,,,,,,,,,,,,,,,0.0,,
COc1ccc(NC(=S)Nc2ccc(N(C)C(C)=O)cc2)cc1,CID2208392,,,,,,,,,,,,,,0.0,,,
COc1ccc([N+](=O)[O-])cc1NC(=S)Nc1ccccc1,CID792302,,,,,,,,,,,,0.0,,,,,
FC(F)(F)c1cccc(NC(=S)Nc2cccc(Cl)c2)c1,CID977015,,,,,,,,,,,,0.0,,,,,
Cc1ccccc1NC(=S)Nc1cccc([N+](=O)[O-])c1,CID977071,,,,,,0.0,,,,,,0.0,,,,,
CCc1ccc(NC(=S)Nc2cccc(OC)c2)cc1,CID977201,,,,,,0.0,,,,,,0.0,,,,,
COCCNC(=O)CN1CCC(NC(=O)Nc2ccc(C(F)(F)F)cc2)CC1,CID649515,0.0,,,,,,,,0.0,,,,,,,,0.0
CCOC(=O)N1CCC(N(CCOC)C(=O)Nc2ccc(Cl)cc2)CC1,CID3241151,,0.0,0.0,0.0,,,,,,0.0,,,,,,0.0,
CCN1CCC(NC(=O)Nc2ccc(F)cc2)CC1,CID6469244,,,,,,,,,,,,,,,0.0,,
COCCNC(=O)CN1CCC(NC(=O)Nc2ccccc2)CC1,CID645447,,0.0,,,,,0.0,,,,,,0.0,,,0.0,
CCOC(=O)N1CCC(N(CCOC)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1,CID3237884,,0.0,,,,,,,,,,,0.0,,,,
CCOC(=O)N1CCC(N(CCCOC)C(=O)Nc2ccc(CC)cc2)CC1,CID3239487,,,,,,,,,,,,,,,,0.0,
CCCN1CCC(NC(=O)Nc2ccccc2C(=O)OC)CC1,CID970393,,,,,,,,,0.0,,,,,,,,
CCOC(=O)N1CCC(N(C(=O)Nc2ccccc2)C(C)CC)CC1,CID3245434,,,,,0.0,0.0,,,,,,,,,,0.0,
CCOC(=O)N1CCC(N(C(=O)Nc2cccc(OC)c2)C(C)CC)CC1,CID3237107,,0.0,,,0.0,,,0.0,,,,0.0,0.0,,,,
CCN1CCC(NC(=O)Nc2cc(Cl)ccc2OC)CC1,CID6470395,,,,,,,,,,,,,,,0.0,,
CCOC(=O)N1CCC(N(C(=O)Nc2ccc(CC)cc2)C(C)CC)CC1,CID3243692,,,0.0,,0.0,,0.0,0.0,,,,,0.0,,,,0.0
CCOC(=O)N1CCC(N(C(=O)Nc2ccc(Cl)c(Cl)c2)C(C)CC)CC1,CID3235987,,0.0,,,,,,,,,,0.0,0.0,0.0,,,
COCCN(C(=O)Nc1ccc(OC)cc1OC)C1CCN(C(C)=O)CC1,CID3236787,,,0.0,,,0.0,,,,,,,0.0,,0.0,,
CCOC(=O)N1CCC(N(CCCOC)C(=O)Nc2cccc(OC)c2)CC1,CID3240595,,,,,,,,,0.0,,,,,,,,
CC(=O)N1CCC(N(CCCOC(C)C)C(=O)Nc2ccc(C)c(C)c2)CC1,CID4052467,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(NC(=O)N(CCC(C)C)C2CCN(C(C)=O)CC2)cc1,CID4256158,,,,,,,,,,,0.0,,,,,,
CCOCCCN(C(=O)Nc1ccc(CC)cc1)C1CCN(C(C)=O)CC1,CID3242912,,,,0.0,0.0,,,0.0,,,,,,,,,
CCc1ccc(NC(=O)N(CCCOC(C)C)C2CCN(C(C)=O)CC2)cc1,CID3244294,,0.0,,,,0.0,,,,,,,0.0,,,,0.0
CCCN1CCC(NC(=O)Nc2ccc(OC)c(OC)c2)CC1,CID978126,0.0,,,0.0,,,,0.0,0.0,,0.0,,,,,0.0,
CC(=O)N1CCC(N(CCCOC(C)C)C(=O)Nc2ccc(Cl)cc2)CC1,CID5308869,0.0,,0.0,0.0,,,,,,,,,,,,,
CCCCN(C(=O)Nc1ccc(Cl)cc1)C1CCN(C(C)=O)CC1,CID4256157,,,,,,0.0,,,,,,,,0.0,,,
CCOC(=O)N1CCC(N(CCOC)C(=O)Nc2ccc(CC)cc2)CC1,CID3240052,,,,,0.0,,,,,,,,,,,,0.0
COCCN(C(=O)Nc1ccc(OC)cc1OC)C1CCN(C(C)C)CC1,CID3245598,0.0,,,,,,,0.0,,,,,0.0,,,,
CN(C)C(=O)c1cc(S(=O)(=O)N(C)C)c(Cl)cc1N1CCCC1,CID2053504,0.0,0.0,,,0.0,,,,,0.0,,,,,0.0,,0.0
CC(C)C(=O)Nc1ccc(N2CCCC2)cc1,CID1480278,,,,,,,,,,0.0,,0.0,,,,,
CC(C)(C)C(=O)Nc1ccc(N2CCCC2)cc1,CID1480272,,,,,,0.0,,,,,,0.0,,,,,
NC(=O)c1cc(N)ccc1N1CCCC1,CID652625,,,,0.0,,,,,,,,0.0,0.0,,,0.0,
CC(=O)c1ccc(N2CCCC2)c(F)c1,CID728796,,,,0.0,,,,,,,,,,,,,
Nc1cc(N2CCCC2)c(Cl)cc1[N+](=O)[O-],CID3613709,,,,,,,,,,,,,,0.0,,,
O=C(O)c1cccc(N2CCCC2)c1,CID651721,,0.0,0.0,,,,,,0.0,,,,0.0,,,0.0,
O=Cc1ccc(N2CCCC2)c(F)c1,CID1081818,,,,,,0.0,,,,,,,,0.0,0.0,,
CC(C)CC(=O)Nc1ccccc1N1CCCC1,CID661607,,0.0,,,0.0,,0.0,0.0,,0.0,,,,0.0,,0.0,
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)OCC(=O)/C(C#N)=C(\C)N)c1,CID5742496,,0.0,0.0,,,,,,,,,,,,,,
CC(=O)c1cc(F)c(N2CCCC2)cc1C,CID540424,,,,,,,,0.0,,,,,,,,,
CC(C)CNc1cc(N2CCCC2)ccc1[N+](=O)[O-],CID2973719,,,,,,,,,,,,0.0,,,,,
Cc1cc(N2CCCC2)c(C)cc1C=O,CID972536,,,,,,,,,0.0,,,0.0,,,,,
CC(C)(C)CNc1cc(N2CCCC2)ccc1[N+](=O)[O-],CID2964848,,,,,,0.0,,,,,,0.0,,,0.0,,
Nc1cc(N2CCCC2)ccc1[N+](=O)[O-],CID2760239,,,,,,,,,,,,,,0.0,0.0,,
N#Cc1ccc(N2CCCC2C(=O)O)c([N+](=O)[O-])c1,CID3849328,,,,,,,,,,,,0.0,,,,,
CO/N=C/c1ccc(N2CCCC2)c([N+](=O)[O-])c1,CID2766065,,,,,,,,,,,,,,,0.0,,
CCCCC(=O)Nc1ccc(N2CCCC2)cc1,CID2765077,,,,,,,,,,,,0.0,,,,,
Cc1cc(C=C(C#N)C#N)ccc1N1CCCC1,CID1142760,,,,,,,,,,,,,,,0.0,,
O=S(=O)(c1ccc(N2CCCC2)cc1)C(F)(F)F,CID2190063,,,,,,,,0.0,,,,,,,,,0.0
O=C(O)CCCC(=O)Nc1ccc(N2CCCC2)cc1,CID649459,,,0.0,0.0,,0.0,,0.0,0.0,0.0,0.0,,,,,,
CC(=O)Nc1ccc(N2CCCC2)cc1,CID1480263,,,,,,,,,0.0,0.0,,0.0,,,,,
O=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1,CID599518,,,,,,,,,,,,,,,0.0,,
CCCc1ccc(-c2cc(N)n[nH]2)cc1,CID2384284,,,,,,,,,,0.0,,0.0,,,,,
Nc1n[nH]c(-c2ccc(Br)cc2)c1Cl,CID648672,0.0,,,,,,,,,,,,,,,,
CCOC(=O)c1c(N)nn(C(=O)CC)c1-c1ccccc1,CID719200,0.0,0.0,,0.0,,,,,,,,,,,,,
Nc1cc(-c2ccc(Br)cc2)[nH]n1,CID780878,,,,,,,,,,,,,,0.0,,,0.0
N#C/C(=C\c1cn[nH]c1-c1ccccc1Br)C(=O)O,CID2565923,,,,,,,,,,,,,,,0.0,,
CCOc1cc(-c2cc(N)n[nH]2)cc(OCC)c1OCC,CID5309707,0.0,,,0.0,,,,0.0,,,,,,,,,
COc1cc(OC)cc(-c2cc(NC(C)=O)n[nH]2)c1,CID5309781,,,,,,,,0.0,,,,,,,,,
CCOC(=O)c1c(N)nn(C(=O)C(C)(C)C)c1-c1ccccc1,CID971042,,,0.0,0.0,,,,,0.0,,,,,,,,
C=CCc1c(C)nn(CC(=O)O)c1-c1ccccc1,CID665188,0.0,,,0.0,,,,,,,,,,0.0,,0.0,
CCOC(=O)c1c(N)nn(C(=O)C(C)C)c1-c1ccc(OC)cc1,CID712311,,,,,,,,,0.0,,,,,,,,
CCOC(=O)c1c(N)nn(C(C)=O)c1-c1ccccc1,CID707687,,,,,,,,,0.0,,,,0.0,,0.0,,
CCN(CCO)Cc1cn[nH]c1-c1ccc(C)c(C)c1,CID648723,,0.0,0.0,,,0.0,0.0,0.0,,,0.0,,,,,0.0,
N#C/C(=C/c1cn[nH]c1-c1ccc(Br)cc1)C(=O)O,CID2513220,,,,,,,,,,,,,,,0.0,,
CC(=O)Nc1cc(-c2ccc(C)cc2)[nH]n1,CID846003,,,,,,0.0,,,,,,,,,,,
CC(=O)Nc1cc(-c2cccc(C)c2)[nH]n1,CID846001,,,,,,0.0,,,,,,,,,,,
CC(=O)Nc1n[nH]c(-c2ccc(C)cc2)c1C,CID846004,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1c(N)n[nH]c1-c1ccc(OC)cc1,CID707658,0.0,0.0,,,,,0.0,,,,,,,,,,
CC(C)(C)c1ccc(-c2cc(N)n[nH]2)cc1,CID2818896,,,,0.0,,,,,,,,0.0,,,,0.0,
CCOC(=O)c1c(N)n[nH]c1-c1ccccc1,CID868536,,,,,,,,,,,,,,0.0,,,
CC(=O)Nc1cc(-c2ccc(Cl)cc2)[nH]n1,CID794164,,,,,,,,,,,,,,,0.0,,
Cc1ccc(-c2cc(N)n[nH]2)cc1,CID736768,,,,,,,,,,,,0.0,,,,,
COc1ccccc1-c1cc(N)n[nH]1,CID3240675,,,,0.0,,,,0.0,,,,,0.0,,,0.0,
CCOC(=O)c1c(N)nn(C(=O)C(C)C)c1-c1ccccc1,CID709310,0.0,0.0,0.0,,,0.0,,,0.0,,,,,,,,
COc1ccc(N2C(=O)C3CC(C)=C(C)CC3C2=O)c(OC)c1,CID2936743,,,,,,0.0,,,,0.0,,,0.0,,,,0.0
CCOC(=O)c1ccc(N2C(=O)C3CC=CCC3C2=O)cc1,CID2858071,,,,,,,,,,,,,,,,,0.0
CCc1ccccc1N1C(=O)C2CC(C)=C(C)CC2C1=O,CID2866279,,,,,,,,,,,,,,,0.0,,
CC1=CCC2C(=O)N(c3ccc(C)cc3)C(=O)C2C1,CID2829340,,,,,,,,,0.0,0.0,,,,,,,
CC1=CC(C)C2C(=O)N(c3ccccc3)C(=O)C2C1,CID2846910,,,,,,,,,,0.0,0.0,,,,,,
CC1C=CCC2C(=O)N(c3ccc(Cl)cc3O)C(=O)C12,CID3597858,,,,,,,,,,,,,,,0.0,,
CC(=O)Oc1cccc(N2C(=O)C3CC=CCC3C2=O)c1,CID2925280,,,,,,,,,,0.0,0.0,,,,,,
COc1cccc(N2C(=O)C3CC=C(Cl)CC3C2=O)c1,CID2939122,,0.0,0.0,0.0,,,,,,0.0,,,,0.0,,,0.0
Cc1cc(N2C(=O)C3CC=CCC3C2=O)cc(C)c1Br,CID2930697,,,,,,,0.0,,,,,0.0,,,,,
CC(=O)Oc1cccc(N2C(=O)C3CC=C(Cl)CC3C2=O)c1,CID2929579,,,,0.0,,,,,,0.0,,,,,,,0.0
O=C(O)c1cccc(N2C(=O)C3CC=C(Cl)CC3C2=O)c1,CID2928755,,0.0,,0.0,,0.0,,,,0.0,,,0.0,,,,
CCc1ccccc1N1C(=O)C2CC=CCC2C1=O,CID2925482,,,,,,,,0.0,,,,0.0,,,,,
CC1=CCC2C(=O)N(c3ccc(Br)cc3C)C(=O)C2C1,CID2931910,0.0,,,,,,,,,,0.0,,,,,,0.0
CCN(CC)C(=O)c1ccc(N2C(=O)C3CC=C(Cl)CC3C2=O)cc1,CID2901220,,,,,,,,,,0.0,,,,,,0.0,
O=C(O)c1cccc(N2C(=O)C3CC=CCC3C2=O)c1,CID2858454,,,,,,,,,,0.0,,,,,,,
COc1ccc(N2C(=O)C3CC=C(Cl)CC3C2=O)cc1,CID2870979,,,,,,,,,,0.0,,,,0.0,,,
COc1ccccc1N1C(=O)C2CC(C)=C(C)CC2C1=O,CID2998812,,,,,,,0.0,,,0.0,0.0,,,,,,0.0
COc1ccccc1N1C(=O)C2CC=CC(C)C2C1=O,CID2933598,,,,0.0,,0.0,,0.0,,,,,,,0.0,,
CC1=CCC2C(=O)N(c3ccc(C)c(Br)c3)C(=O)C2C1,CID3988234,0.0,,,,,,,,,,,,,,,,
CCOC(=O)c1ccc(N2C(=O)C3CC=C(C)CC3C2=O)cc1,CID2731156,,,,0.0,,,0.0,0.0,,0.0,,,,,,,0.0
CC(=O)Oc1ccc(N2C(=O)C3CC(C)=C(C)CC3C2=O)cc1,CID2888261,,,,,,0.0,,,,,,,,,,,
Cc1cc(C)cc(N2C(=O)C3CC=CCC3C2=O)c1,CID2931043,,,,,,,,,,0.0,,,,,,,
C/C(=N\O)c1ccc(N2C(=O)C3CC=C(Cl)CC3C2=O)cc1,CID2920847,0.0,,0.0,0.0,,,0.0,,,,,,,,,0.0,
CCCCC(=O)N(c1ccc(OCC)cc1)C1C=CS(=O)(=O)C1,CID3245275,,,,,,,,,,,,,,,,0.0,
CC(C)CC(=O)N(c1ccc(F)cc1)C1C=CS(=O)(=O)C1,CID3241293,,,0.0,,,,,0.0,,,,0.0,0.0,,,,
O=S1(=O)C=CC(Nc2ccccc2)C1,CID589052,,,,,,0.0,,,,,,0.0,,,,,
CCC(CC)C(=O)N(c1ccc(F)cc1)C1C=CS(=O)(=O)C1,CID3238494,,,,,,,,0.0,,,,,,,,,
CCOc1ccc(N(C(C)=O)C2C=CS(=O)(=O)C2)cc1,CID2948590,,0.0,0.0,,,,,0.0,0.0,,,,,,,0.0,
COc1ccc(N(C(C)=O)C2C=CS(=O)(=O)C2)c(OC)c1,CID3241273,,,,,,,0.0,,0.0,,0.0,,,,,0.0,
COc1cccc(NC2C=CS(=O)(=O)C2)c1,CID3150946,,,,,,,,,,,0.0,,,,,,
Cc1ccccc1NC1C=CS(=O)(=O)C1,CID2997953,,,,,0.0,,,,,,,,0.0,,,,
CC(=O)N(c1ccc(C(C)C)cc1)C1C=CS(=O)(=O)C1,CID2982648,,0.0,0.0,,,,,,0.0,,,0.0,,,,,
CC(C)C(=O)N(c1ccc(F)cc1)C1C=CS(=O)(=O)C1,CID3236941,,0.0,,,,,0.0,,,,,0.0,,,,,
CCCCC(=O)N(c1ccc(OC)cc1)C1C=CS(=O)(=O)C1,CID3237695,,,,0.0,,,,0.0,,,,0.0,,0.0,,0.0,
COCC(=O)N(c1ccc(C(C)C)cc1)C1C=CS(=O)(=O)C1,CID3240474,,,0.0,0.0,,,,0.0,0.0,0.0,,0.0,0.0,,,0.0,
CCC(=O)N(c1ccc(F)cc1)C1C=CS(=O)(=O)C1,CID3239104,,0.0,0.0,0.0,,,,,,0.0,,0.0,0.0,,,,
COc1ccc(NC2C=CS(=O)(=O)C2)c(OC)c1,CID2973827,,,0.0,0.0,,,,0.0,,,,,,,,,
CCc1ccc(N(C(C)=O)C2C=CS(=O)(=O)C2)cc1,CID2970088,,0.0,,,,,,,,,,0.0,,,,,
O=S1(=O)C=CC(Nc2cccc(Cl)c2)C1,CID2973444,,,,,,,,,,0.0,,,,0.0,,,0.0
CC(=O)N(c1cccc(Br)c1)C1C=CS(=O)(=O)C1,CID2976110,,,,,,,0.0,,0.0,,,,,,0.0,,
CC(=O)N(c1ccc(C)cc1)C1C=CS(=O)(=O)C1,CID3155320,,,0.0,,,0.0,,,0.0,,,,,,,,
CCCC(=O)N(c1ccc(F)cc1)C1C=CS(=O)(=O)C1,CID3240367,,,,,,,,0.0,,,,,,,,,
CC(=O)N(c1ccc(Br)cc1)C1C=CS(=O)(=O)C1,CID2950733,,,,,,,,,0.0,,,,,,,,
CCCCC(=O)N(c1ccc(C)c(C)c1)C1C=CS(=O)(=O)C1,CID3241891,,,,,,,,,0.0,0.0,,,,,,,0.0
CCCC(=O)N(c1ccc(OCC)cc1)C1C=CS(=O)(=O)C1,CID3245887,,,0.0,,,,,,,,,,,,,0.0,
COc1ccccc1NC1C=CS(=O)(=O)C1,CID2906215,,,,,0.0,0.0,,0.0,,,,,,,,,
CCc1ccc(N(C(C)=O)c2nc(CCl)cs2)cc1,CID3864051,,,,,,,,,,,,,,,0.0,,
CC(=O)c1cnc(Nc2cccc(Cl)c2Cl)s1,CID3771946,,,,,,,,,,,,,,0.0,,,
COc1ccccc1Nc1nc(C)cs1,CID741666,,0.0,,0.0,0.0,0.0,0.0,,,0.0,,,0.0,,,,0.0
Cc1nc(Nc2ccccc2)sc1C,CID971435,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1sc(Nc2cccc(C)c2C)nc1C,CID935424,,,,,,0.0,,,,,,0.0,,,,,
CCOC(=O)c1sc(Nc2ccc(C)cc2C)nc1C,CID757687,,,,,,,,,,,,0.0,,,,,
CC(=O)c1sc(Nc2cccc(C)c2)nc1C,CID1485160,,,,,,,,,,,,,,,0.0,,
O=C(O)Cc1csc(Nc2cccc(Cl)c2)n1,CID1078637,,,,,,,,,,,,,,0.0,,,
CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)O)cs1,CID2079393,,,,,,,,,,,,,,0.0,,,
CC(C)(C)C(=O)c1cnc(Nc2ccccc2Cl)s1,CID1485910,,,,,,,,,,,,,,0.0,,,
Cc1nc(Nc2ccccc2C(F)(F)F)sc1C(=O)N(C)C,CID2110139,,,,,,,,,,,,,,0.0,,,
FC(F)(F)c1ccccc1Nc1nccs1,CID655793,,,,,0.0,,0.0,0.0,,,,,,,,,0.0
CCOC(=O)c1sc(Nc2ccccc2)nc1C,CID807772,,,,,,,,,,,0.0,,,,,,
COC(=O)Cc1csc(Nc2ccc(Cl)cc2)n1,CID1537496,,,,,,,,,,,,,,0.0,,,
CC(=O)c1cnc(Nc2ccc(C)cc2)s1,CID1485161,,,,,,,,,,,,,,,0.0,,
CC(=O)c1cnc(Nc2ccccc2)s1,CID1482536,,,,,,,,,,,,,,0.0,,,
CC(=O)N(c1nc(CCl)cs1)c1ccc(C)cc1C,CID3865568,,,,,,,,,,,,,,0.0,,,
CC(C)(C)C(=O)c1cnc(Nc2ccccc2)s1,CID1482542,,,,,,,,,,,0.0,0.0,,,,,
COc1ccc(Nc2nc(Cl)c(C=O)s2)cc1,CID2471296,,,,,,,,,,,,,,,0.0,,
COC(=O)c1sc(Nc2ccccc2)nc1C,CID972118,,0.0,,0.0,0.0,,0.0,0.0,,0.0,,,0.0,,0.0,,0.0
CC(C)(C)C(=O)c1sc(Nc2ccccc2)nc1N,CID973752,,0.0,,,,,0.0,,,,,,,,,,
CCN(CC)C(=O)c1csc(Nc2ccc(C)cc2)n1,CID654109,,0.0,,,,,0.0,0.0,,0.0,,,,,,0.0,0.0
CC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1cc(C)on1,CID4420570,,0.0,,,,,,,,,,,,,,,
CCCCNC(=O)Nc1ccon1,CID2093645,,,,0.0,,,0.0,,,,,,0.0,,,,0.0
CC(C)(C)Cc1cc(N)on1,CID2117533,,,,,,,,,,,,,,0.0,,,
CCCCNC(=O)Nc1cc(C)on1,CID2130257,,,,,,0.0,,,,,,0.0,,,,,
CC(C)c1cc(C(=O)O)on1,CID654542,,,,0.0,,,,0.0,,0.0,,0.0,,,,,
Cc1cc(/N=C/N(C)C)on1,CID2801031,,,,,,,,,,,,,,,,0.0,
CCC(C)NC(=O)c1cc(CC(C)C)on1,CID5307751,,,0.0,,,,0.0,0.0,,,0.0,,,,,0.0,
CCCNC(=O)Nc1cc(C)on1,CID2421429,,,,,,,0.0,,,,,0.0,,,,,
CNC(=O)Nc1cc(C(C)(C)C)no1,CID3237157,,,,,,,,,,,,0.0,0.0,,,,
Cc1cc(NC(=O)C(C)(C)C)no1,CID1526572,,0.0,0.0,,,,,,,,,,,,,,
CCOC(=O)CNS(=O)(=O)c1c(C)noc1C,CID3237674,,,0.0,,,,,,,,,,,,,,
CCOC(=O)CCSCC(=O)Nc1cc(C)on1,CID3239409,,,0.0,0.0,,,,0.0,,,,,,,,,
Cc1cc(NC(=O)CCl)on1,CID2778360,,,,,,,,,,,,,,0.0,,,
Cc1cc(C(=O)NC(C)C)on1,CID3245069,,0.0,0.0,,,,,,,,,,,,,,
CCCc1cc(C(=O)NCC(C)C)no1,CID5309302,,,,,,,,,,,,,,,,0.0,
CCNC(=S)NNC(=O)c1cc(C)on1,CID4415535,,,,,,,,,,,,,,0.0,,,
CCCCOC(=O)CSCC(=O)Nc1cc(C)on1,CID3242422,,,,0.0,,,,0.0,,0.0,,,0.0,,,,
C#CC(CC)(CC)NC(=O)c1c(C)noc1C,CID1245925,,,0.0,0.0,,,,,,,,,,0.0,,0.0,
CCOC(=O)C(NC(=O)CC)(Nc1cc(C)on1)C(F)(F)F,CID383674,,,,,,,0.0,,0.0,,,,,,,,0.0
CCCNC(=O)c1cc(C)no1,CID9551512,,,,,,,,,,,0.0,,,,,,
CCOC(=O)NC(Nc1cc(C)on1)(C(F)(F)F)C(F)(F)F,CID663501,,,,,,,,,0.0,,,,,,,,
COC(=O)CCSCC(=O)Nc1cc(C)on1,CID3240051,,,0.0,,,,,0.0,,0.0,,,0.0,,,,
COC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1N,CID874645,,,,,0.0,,0.0,,,,,,,,,,
COC(=O)c1c(-c2cccc(C)c2)csc1N,CID874628,,,,0.0,0.0,,,,,,,,,,,,
COC(=O)c1c(-c2ccccc2)csc1N,CID685886,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1c(-c2ccc(OC)cc2)csc1/N=C/N(C)C,CID2909806,,,,,,,,,,,,,,0.0,,,
C=CCNC(=O)c1sc(SC)cc1-c1ccc(Cl)cc1,CID2767963,,,,,,,,,,,,,,,0.0,,
CSc1cc(-c2ccc(Cl)cc2)c(C(=O)NN)s1,CID2767982,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1c(NC(=O)/C=C/C(=O)O)sc(C)c1-c1ccc(C(C)(C)C)cc1,CID2167819,,,,,,,,,,,,,,,0.0,,
CC(C)C(=O)Nc1c(C#N)sc(SCC#N)c1-c1ccccc1,CID2765913,,,,,,,,,0.0,,,,,,0.0,,
COC(=O)c1c(-c2ccc(C)cc2)csc1N,CID712411,,,,0.0,0.0,,0.0,0.0,,,,,,,,,
CCOC(=O)c1c(NC(=O)/C=C\C(=O)O)sc(C)c1-c1ccccc1,CID1992025,,,,,,,,,,,,,,,0.0,,
Cc1sc(NC(=O)CCCC(=O)O)c(C(N)=O)c1-c1ccccc1,CID4167576,,,,,,,,,,,,,,,0.0,,
Cc1cccc(-c2csc(N)c2C(=O)OC(C)C)c1,CID904024,,,,,,,,,,,,0.0,,,,,
COC(=O)c1c(-c2cccc(OC)c2)csc1N,CID712407,,,,0.0,0.0,,,0.0,,0.0,,,0.0,,,,
CNC(=O)c1sc(SC)cc1-c1ccc(Cl)cc1,CID2767953,,,,,,,,,,,,,,,0.0,,
COC(=O)c1c(NC(=O)/C=C/C(=O)O)sc(C)c1-c1ccc(C)cc1,CID1350132,,,,,,,,,,,,,,0.0,0.0,,
CCc1ccc(-c2c(C)sc(NC(C)=O)c2C(N)=O)cc1,CID887901,,,,,,,,,,,,,,,0.0,,
CCCC(=O)Nc1sc(C)c(-c2ccc(C(C)CC)cc2)c1C#N,CID4586733,,,,,,0.0,,,,,,,,,,,
CC(C)(C)C(=O)Nc1c(C#N)sc(SCC#N)c1-c1ccccc1,CID2767876,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1c(-c2ccccc2)csc1NC(=S)NC,CID3076847,,,,,,,,,,,,,,,0.0,,
CCN(CC)C(=O)c1c(-c2ccccc2)csc1NC(=O)CC(C)C,CID2196363,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C)c(-c2csc(N)c2C(=O)OC(C)C)c1,CID874700,,,,,,0.0,,,,,,,,,,,
COC(=O)c1c(NC(=O)/C=C/C(=O)O)sc(C)c1-c1ccc(C)c(C)c1,CID1002791,,,,,,,,,,,,,,,0.0,,
CCN(CC)c1nc(C(N)=O)cc(-c2ccccc2)n1,CID940077,,,,,,,,,,0.0,,,,0.0,,,
COC(=O)CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1,CID713749,,,,,,,,,0.0,,,,,,,,
COc1cc(-c2ccccc2)nc(N)n1,CID676910,,,,,,0.0,,,0.0,,0.0,0.0,,,,,
CCOC(=O)CS(=O)(=O)c1nc(-c2ccccc2)cc(C(F)(F)F)n1,CID1151859,,,,,0.0,,,0.0,,,,,,,,,0.0
CN(C)c1cc(-c2ccccc2)nc(N)n1,CID677167,,,,,,0.0,0.0,,,,,,0.0,,,,
CS(=O)(=O)c1nc(-c2ccccc2)cc(C(F)(F)F)n1,CID3236803,,,,,0.0,,,,,,,,,,,,
CC(=O)Nc1nc(C)nc(-c2ccccc2)c1C(C)=O,CID840037,,0.0,,,,,,0.0,0.0,,,,0.0,,,,
CCOC(=O)CS(=O)(=O)c1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1,CID2980973,,,,,,,,0.0,,,,,,0.0,,,0.0
COc1ccc(-c2cc(C(F)(F)F)nc(S(C)(=O)=O)n2)cc1OC,CID3244140,,,,,0.0,,,,0.0,,,,,,,,0.0
COc1ccc(-c2cc(C(F)(F)F)nc(SCC(N)=O)n2)cc1,CID653466,0.0,0.0,,,0.0,,,,0.0,,,,,,,,
COc1nc(-c2ccccc2)cc(C(F)(F)F)n1,CID891604,,,,0.0,,,,,0.0,,,,,,,,0.0
Nc1nc(-c2ccccc2)cc(C(F)(F)F)n1,CID617433,,,,0.0,,,,,,,,,,,,,0.0
CCOC(=O)CCS(=O)(=O)c1nc(-c2ccccc2)cc(C(F)(F)F)n1,CID2219262,,,,,0.0,,,0.0,,,,,,,,,0.0
COCCNC(=O)CSc1nc(-c2ccc(OC)c(OC)c2)cc(C(F)(F)F)n1,CID652527,0.0,,,,0.0,,,0.0,0.0,,,,,,,,0.0
CCN(CC)c1nc(C#N)cc(-c2ccc(OC)cc2)n1,CID659644,,0.0,,,,,,0.0,,,,0.0,,0.0,,,
CSc1nc(Cl)c(C#N)c(-c2ccc(C)cc2)n1,CID1475543,,,,,,0.0,,,,,,,,,,,
CC(=O)c1c(NC(=O)C(C)C)nc(C)nc1-c1ccccc1,CID726949,,0.0,,,,,,0.0,0.0,,,,0.0,,,,
COc1ccccc1-c1cc(C(F)(F)F)nc(S(C)(=O)=O)n1,CID4655086,,,,,,,,,,,,,,0.0,,,
CC(=O)c1c(/N=C/N(C)C)nc(C)nc1-c1ccccc1,CID3238112,,0.0,,0.0,,0.0,0.0,,,,,0.0,,,,,
CCOc1cc(-c2ccccc2)nc(N)n1,CID677140,,,0.0,,,,,,,0.0,,,,,,,
COCC(C)NC(=O)CCS(=O)(=O)c1nc(-c2ccc(OC)cc2)cc(C(F)(F)F)n1,CID654688,,,,,0.0,,,,,,,,,,,,0.0
COc1ccccc1-c1cc(C(F)(F)F)nc(S(=O)(=O)CCCC(=O)NC(C)C)n1,CID3238021,,,,,0.0,,,0.0,,,,,,,,,0.0
COc1cc(C(=O)NCCOc2ccccc2Cl)cc(OC)c1OC,CID2218240,,,,,,0.0,,,,,,,,,,,
COc1ccccc1OCCNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1,CID2293105,,,0.0,,,,0.0,,,,,,0.0,,,0.0,
CN(C)S(=O)(=O)c1ccc(C(=O)NCCOc2ccc(F)cc2)cc1,CID2298365,,,,,,,,,,0.0,,0.0,,0.0,,,
Cc1ccc(OCCNC(=O)c2ccc(C)cc2)cc1,CID2222949,,,,,,0.0,,,,,,,,,,,
CSc1ccc(Cl)c(C(=O)NCCOc2ccccc2)c1,CID1811191,,,,,,,,,,,,0.0,,0.0,,,
COc1cccc(OCCNC(=O)c2cccc(OC)c2)c1,CID2195599,,,,,,,0.0,,,0.0,0.0,0.0,,,,0.0,
COc1cc(SC)ccc1C(=O)NCCOc1ccccc1Cl,CID614249,,,,,,,,,,,,,,0.0,,,
CCc1ccc(OCCNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1,CID2194745,,,,,,,,,,0.0,0.0,,,,,,
COc1cc(OC)cc(C(=O)NCCOc2ccccc2)c1,CID2173139,,,,,,,,,,0.0,0.0,0.0,,,0.0,,
COc1cc(C(=O)NCCOc2ccccc2)c(Br)c(OC)c1OC,CID2292777,,,,,,,,,,,,0.0,,,,,
COc1cccc(OCCNC(=O)c2cc(OC)c(OC)c(OC)c2)c1,CID617208,,,,,,0.0,,,,,,,,,,,
O=C(NCCOc1ccccc1)c1ccccc1,CID1811246,,,,,,,,,0.0,0.0,0.0,,,,,,
CCCCOc1ccc(C(=O)NCCOc2ccc(C)c(C)c2)cc1,CID2223082,,,,,,0.0,,,,,,,,,,,
COc1cc(SC)ccc1C(=O)NCCOc1ccc(Cl)cc1,CID2299024,,,,,,,,,,,,,,0.0,,,
O=C(NCCOc1ccccc1)c1ccccc1[N+](=O)[O-],CID2253073,,,,,,,,,,,,,,,0.0,,
CSc1ccc(Cl)c(C(=O)NCCOc2cc(C(C)C)ccc2C)c1,CID615122,,,,,,,,,,,,0.0,,,,,
CN(C)S(=O)(=O)c1ccc(C(=O)NCCOc2ccccc2)cc1,CID2291802,,,0.0,,,,,0.0,,,,,,,,,
COc1cc(SC)ccc1C(=O)NCCOc1c(C)cc(C)cc1C,CID2216271,,,,,,0.0,,,,,,,,0.0,,,
CS(=O)(=O)NCc1ccc(C(=O)NCCOc2ccccc2)cc1,CID2971855,,,,,0.0,,,,,,0.0,,,0.0,,0.0,
CN(CCOc1ccccc1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1,CID619796,,,,,,,,,,,,,,,0.0,,
COc1ccccc1OCCNC(=O)c1ccccc1C,CID2944332,,,,0.0,,,0.0,0.0,,0.0,,,,,,,0.0
Cc1ccc(OCCNC(=O)c2ccccc2N)cc1,CID1991468,0.0,,,,,,,,,,,0.0,,,0.0,,0.0
CCC(C)OC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccc(N(C)C)cc1)C2,CID5308388,,0.0,,0.0,,,,0.0,,,0.0,,,,,0.0,0.0
COc1ccc(OC)c(C2CC(=O)c3c([nH]c(C(=O)OC(C)C)c3C)C2)c1,CID4429890,,,,,,,,0.0,,,,0.0,,,,,
CCCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1cc(OC)c(OC)c(OC)c1)C2,CID5309912,,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccc(N(C)C)cc1)C2,CID2997027,,,0.0,,0.0,,,,,,0.0,,0.0,,,,0.0
Cc1c(C(=O)O)[nH]c2c1C(=O)CC(c1ccccc1)C2,CID3243167,,0.0,0.0,,,,,,,,,,,,,,0.0
CCOCCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccc(N(C)C)cc1)C2,CID3162308,,,,0.0,0.0,,,,,,,0.0,,,,,0.0
CCCCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1cc(OC)c(OC)c(OC)c1)C2,CID5309717,,,,,,,,0.0,,,0.0,,,,,,
Cc1c(C(=O)O)[nH]c2c1C(=O)CC(c1ccc(Cl)cc1)C2,CID2962907,,0.0,,,,,,,,,,,0.0,,,,
COCCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccc(N(C)C)cc1)C2,CID3238558,,,0.0,,0.0,,,,,,0.0,0.0,,,,,0.0
CCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccc(OCC)c(OC)c1)C2,CID3245870,,,0.0,,,,,0.0,,,,,,,,0.0,
C/C=C/COC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccc(N(C)C)cc1)C2,CID5308184,,,,,,,,,,,,,,,,0.0,
COCCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccc(F)cc1)C2,CID4575047,,,,,,,,,,0.0,,,,,,,
COc1cc(C2CC(=O)c3c([nH]c(C(=O)OCCOC(C)C)c3C)C2)cc(OC)c1OC,CID5308771,,,,,,,,,,,,,,,,0.0,
CCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccc(F)cc1)C2,CID5134532,,,0.0,,,,,,,,,,,,,,
CCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccc(OC)c(OC)c1)C2,CID3237001,,,0.0,,,,0.0,0.0,,,,,,,,0.0,
COC(=O)c1[nH]c2c(c1C)C(=O)CC(c1cc(OC)ccc1OC)C2,CID3260577,,,,0.0,,,0.0,,,,,,,,,0.0,
COCCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccccc1)C2,CID3239810,,,0.0,,,,,,,,,,,,0.0,,0.0
COC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccc(C)cc1)C2,CID3241795,,,,,,,,0.0,,,,,,,,0.0,0.0
COC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccccc1)C2,CID2962908,,,0.0,,,,,,,0.0,,,,,,0.0,
COCCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1cc(OC)ccc1OC)C2,CID4274895,,,,,,,,0.0,,,,,,,,,
CCCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccc(OC)c(OC)c1)C2,CID3235602,,,,,,,0.0,,,,,,,,,0.0,
COc1ccc(C2CC(=O)c3c([nH]c(C(=O)OC(C)C)c3C)C2)cc1OC,CID3239002,,,,,,,,0.0,,,,,,,,0.0,
CCc1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1,CID892382,,0.0,0.0,0.0,,,,0.0,,,,,,,,0.0,
CS(=O)(=O)N1CCC(C(=O)Nc2c(F)cccc2F)CC1,CID651011,,0.0,,0.0,0.0,,,,,,,,,,,,
COc1ccc(OC)c(NC(=O)C2CCN(S(C)(=O)=O)CC2)c1,CID2194134,,,,0.0,,,,0.0,,,,,0.0,,,,
CS(=O)(=O)N1CCC(C(=O)Nc2ccccc2)CC1,CID1081269,,,,,,,,,,0.0,,,,,,,
CCCCc1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1,CID2956776,0.0,,,0.0,,,,,,,0.0,,,,,,0.0
COc1cccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)c1,CID2194591,0.0,,,,,,,,,,0.0,,,,,0.0,
CC(C)c1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1,CID649629,0.0,,0.0,0.0,,,0.0,,,,,,,,,0.0,
CSc1cccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)c1,CID893938,,,,0.0,0.0,,0.0,,0.0,0.0,0.0,,,0.0,,,
CCS(=O)(=O)N1CCC(C(=O)Nc2cccc(C(C)=O)c2)CC1,CID977965,,,,,,,,,0.0,,,,0.0,,,0.0,
CCOC(=O)N1CCC(C(=O)Nc2ccc(OCC)cc2)CC1,CID5309932,,,,,,,,,,,0.0,,,,0.0,,
Cc1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1C,CID891984,,,,,,,,,,,0.0,0.0,,,,,
CCOC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)CC)CC2)cc1,CID1293458,,,0.0,0.0,,,,,,0.0,,,,,,0.0,
CS(=O)(=O)N1CCC(C(=O)Nc2ccc(F)cc2F)CC1,CID646174,,,,0.0,0.0,,,,,,,,,,,,0.0
COC(=O)c1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1,CID646245,,,0.0,,,,,,,,,,,,,0.0,0.0
CS(=O)(=O)N1CCC(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1,CID891762,,,,,,,,,,,,,,0.0,,,
CS(=O)(=O)N1CCC(C(=O)Nc2ccccc2F)CC1,CID893909,,,,,,,,,,0.0,,0.0,,,,,
CCS(=O)(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1,CID2953828,0.0,,0.0,0.0,,,0.0,,,,,0.0,0.0,,,,0.0
CC(=O)c1cccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)c1,CID2192475,,,,0.0,,,,,0.0,,,,,,,0.0,
CS(=O)(=O)N1CCC(C(=O)Nc2ccc(Br)cc2F)CC1,CID1319649,0.0,,,,,,,,0.0,,,,,,,,
CS(=O)(=O)N1CCC(C(=O)Nc2cccc(C(F)(F)F)c2)CC1,CID656149,0.0,,,,0.0,,,0.0,,0.0,,,,,,,0.0
Cc1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1,CID2192244,,,,,,,,,,0.0,,,,,,,
COC(=O)c1ccccc1NC(=O)C1CCN(S(C)(=O)=O)CC1,CID2193475,,0.0,,,,,,0.0,,,,,0.0,,,,
CCOC(=O)C1CCCN(CC(=O)Nc2c(F)c(F)c(F)c(F)c2F)C1,CID2999028,,,,,,,,,0.0,,,,,,,,
COC(=O)c1ccc(Cl)c(NC(=O)CN2CCC(C)CC2)c1,CID2243581,,,,,,,,,,0.0,,,,,,,
CC(=O)Nc1ccc(NC(=O)CN2CCCC(C)C2)c(Cl)c1,CID655561,0.0,,,,,0.0,,,,,,,,,,0.0,
O=C(CN1CCCCC1)Nc1cccc(Br)c1,CID969575,0.0,,,,,,,,,,,0.0,,,,,0.0
COc1cc(NC(=O)CN2CCCCC2C)c(C)cc1[N+](=O)[O-],CID4818596,,,,,,,,,,,,,,0.0,,,
O=C(CN1CCCCC1)Nc1ccc(F)c(Cl)c1,CID645122,,,0.0,,,,0.0,,,,,,0.0,,,0.0,0.0
Cc1c(NC(=O)CN2CCC(C(N)=O)CC2)cccc1[N+](=O)[O-],CID2553321,,,,,,,,,,,,,,,0.0,,
Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCCC1,CID566520,,,,,,,,,,,,0.0,,,,,
CC1CCN(CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1,CID973114,,,,,,0.0,,,,,,0.0,,,,,
CCC(=O)Nc1ccc(NC(=O)CN2CCCC(C)C2)c(Cl)c1,CID649755,,,0.0,0.0,,0.0,,,,,,0.0,,,,0.0,
COCC(=O)NC1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1,CID3220828,,,,,,,,,,,,,,0.0,,,
COc1ccc(NC(=O)CN2CCC(C(N)=O)CC2)cc1,CID648984,,0.0,,,0.0,,0.0,0.0,,,,,,,,,
COc1ccccc1NC(=O)CN1CCCCC1,CID975241,,,,,,,0.0,,,0.0,,0.0,,,,0.0,
COCC(=O)NC1CCN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1,CID3220834,,,,,,,,,,,,0.0,,,,,
O=C(CN1CCCCC1)Nc1ccccc1,CID78402,,,,,,,,,,0.0,,,,,,,
NS(=O)(=O)c1ccc(NC(=O)CN2CCCCC2)cc1,CID661254,0.0,,,,,,,,,,,,,,,,
O=C(CN1CCCCC1)Nc1cc(Cl)ccc1Cl,CID703605,0.0,,,,,,,,,,,,0.0,,,,0.0
CC1CC(C)CN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1,CID2946393,,,,,,,,0.0,,,,,,,,,
COc1cccc(NC(=O)CN2CCC(C)CC2)c1,CID973150,,,,,,,,,,,,0.0,,,,,
CC1CCN(CC(=O)Nc2ccccc2C#N)CC1,CID2655002,,0.0,,,,,0.0,0.0,,,,0.0,0.0,,,0.0,
COc1ccc(NC(=O)CN2CCC(C)CC2)cc1,CID2214308,,,,0.0,,,0.0,0.0,,,,0.0,,,,,
COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN1CCCCC1,CID972591,,,,,0.0,,0.0,,0.0,,,0.0,0.0,,,,
COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1OC,CID1077682,,,,,0.0,,,0.0,,0.0,0.0,,,,,0.0,0.0
Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1,CID1078495,,,,,,,,,,,0.0,,,,,,
COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1,CID1088322,,,,,,,,,,0.0,0.0,,,,,,
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C(C)=O)c3)CC2)cc1C,CID1092932,,,,0.0,0.0,,,0.0,,,,,0.0,,0.0,0.0,0.0
CSc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1,CID1209552,,,,,0.0,,,,,,0.0,,,,0.0,,
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(OC)c(OC)c3)CC2)cc1C,CID2981854,,,,,0.0,,,,,0.0,,,,,,0.0,
COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C)c3C)CC2)c1,CID647505,,0.0,0.0,,0.0,0.0,,,,0.0,0.0,,,,0.0,0.0,
CCOC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1,CID1077711,,0.0,,0.0,0.0,,,0.0,,,,,,,,0.0,0.0
COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C)c(C)c3)CC2)c1,CID649165,,,0.0,,0.0,0.0,,0.0,0.0,0.0,0.0,,,,,0.0,0.0
COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)c1,CID1264429,,,,,0.0,,,,,,,,0.0,,,,0.0
COC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1,CID2955952,,,,,0.0,,,,,0.0,0.0,,,,,,
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C(C)=O)c3)CC2)cc1,CID1209910,,,,,,,,,,0.0,0.0,,,,,,
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3c(F)cccc3F)CC2)cc1,CID1005462,,,,,0.0,,0.0,0.0,,,,,,,,0.0,
CC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1,CID1325899,,,,,,,,,,,,,0.0,0.0,,,0.0
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(Cl)c3)CC2)cc1OC,CID1072788,0.0,,,0.0,0.0,0.0,,,,,,0.0,,,0.0,,
Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1,CID2131642,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cc(C)ccc2OC)CC1,CID2240037,,,,,0.0,,,,0.0,,0.0,,,,0.0,,
CCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1,CID4986505,,,,,0.0,,,,,,,,,,,0.0,
CC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1,CID1077674,,,,,0.0,,,,,,0.0,,,,,0.0,0.0
COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C)c3)CC2)c1,CID3157203,,,,,,,,,,0.0,,,,,,,
COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)c(OC)c1,CID2920999,,,,,0.0,,,,,0.0,0.0,,,,,,
CC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1,CID2921828,,,,,,,,,,0.0,,,,0.0,,,
COc1ccc(OC)c(-c2oc3ccccc3c(=O)c2O)c1,CID728809,,,,,0.0,,,0.0,0.0,,0.0,,,,,,
Cc1ccc(-c2oc3ccccc3c(=O)c2O)cc1,CID265711,,,,,,,,,0.0,,,,,,,0.0,0.0
COc1cc(-c2cc(=O)c3ccccc3o2)ccc1O,CID676035,,,,,,,,,,,,,,0.0,,,
O=c1c(O)c(-c2ccc(O)cc2O)oc2cc(O)cc(O)c12,CID5281670,,,,,1.0,,,,,,,,,0.0,,,
COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)cc1,CID5320438,,,,,,,,,,,,,,,0.0,,
O=c1cc(-c2ccc(F)cc2)oc2ccccc12,CID261391,,,,,,,,,,0.0,,0.0,,,,,
CSc1ccc(-c2cc(=O)c3ccccc3o2)cc1,CID3245800,,,,,,,,,,,,,0.0,,,,
COc1ccc(-c2cc(=O)c3cc(OC)ccc3o2)cc1,CID688670,,,,,,,,,,,,,,0.0,,,
Cc1ccc(-c2oc3ccccc3c(=O)c2OCC(=O)O)cc1,CID1695962,,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1OC,CID72344,,,,,,,,,,,,,,,0.0,,
O=c1cc(-c2ccc(O)cc2)oc2ccccc12,CID229016,,,,,,,,,,,,,,0.0,,,
COc1cc(OC)c2c(=O)cc(-c3ccccc3)oc2c1,CID88881,,,,,,,,,,,,,,0.0,,,
CCOC(=O)COc1c(-c2ccc(OC)cc2)oc2ccccc2c1=O,CID1224017,,,,,,,,,,,,0.0,,,,,
O=c1cc(-c2ccccc2[N+](=O)[O-])oc2ccccc12,CID775978,,,,,,,,,,,,,,,0.0,,
NC(=O)COc1c(-c2ccccc2)oc2ccccc2c1=O,CID735033,0.0,,,0.0,0.0,,,0.0,,0.0,,0.0,0.0,,,,
O=C(O)COc1c(-c2ccccc2)oc2ccccc2c1=O,CID735034,,,,,,,,,0.0,,,,,0.0,,,
Cc1ccc2oc(-c3ccccc3C(=O)O)cc(=O)c2c1,CID733208,,,,,,,,0.0,0.0,,0.0,,,,0.0,,0.0
O=c1cc(-c2ccccc2F)oc2ccccc12,CID261400,,,,,,,,,,,0.0,,,,,,
COc1ccc2oc(-c3ccccc3[N+](=O)[O-])cc(=O)c2c1,CID742549,,,,,,,,,,,,,,0.0,,,
Nc1ccc2oc(-c3ccccc3Cl)cc(=O)c2c1O,CID6096216,,,,,,,,,,,,,,0.0,,,
Cc1ccc2oc(-c3ccccc3)c(C(=O)O)c(=O)c2c1,CID1478559,,,,,,,,,0.0,,0.0,0.0,,,,,
O=c1cc(-c2ccc(O)cc2)oc2ccc(O)cc12,CID182362,,,,,,,,,,,,,,0.0,,,
CS(=O)(=O)NC1=NC2=NC(c3ccc(Br)cc3)=CC(c3ccccc3)N2N1,CID5862140,,,,,,,,,,,,0.0,,,,,
CCOc1ccc(C2C=C(c3ccccc3)N=C3N=CNN32)cc1,CID5389466,,,,0.0,,0.0,,0.0,,,,0.0,,,,,
OCCCC1=NC2=NC(c3ccccc3)=CC(c3ccccc3)N2N1,CID5310378,,,,,,,,,,,0.0,0.0,,,,,
CCOC(=O)C1=C(c2ccccc2)N=C2N=CNN2C1c1cccc(OC)c1OC,CID5738868,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(C2C=C(c3ccc(C)cc3)N=C3N=CNN32)cc1,CID5389473,,,,,,,0.0,,,,,,0.0,,,,
CCOC(=O)C1=C(c2ccccc2)N=C2N=CNN2C1c1cc(OC)cc(OC)c1OC,CID5389983,0.0,,0.0,,,,,,,,,,,,,,
CCOc1ccc(C2C=C(c3ccc(F)cc3)N=C3N=CNN32)cc1,CID5739219,,,,,,,0.0,,,,,0.0,,,,,0.0
COc1cccc(C2=CC(c3ccc(C)cc3)N3NC=NC3=N2)c1,CID5389449,,,,,,0.0,,,,,,,,0.0,,,
CCOC(=O)C1=C(c2ccccc2)N=C2N=CNN2C1c1cc(OC)ccc1OC,CID5309127,0.0,,,,,,,0.0,,,0.0,,,,,,
COc1ccc(C2C=C(c3ccccc3)N=C3N=C(NC(C)=O)NN32)cc1,CID5911074,,,,,,,,,,,0.0,,,,,,
CC(=O)NC1=NC2=NC(c3ccccc3)=CC(c3ccccc3)N2N1,CID5310690,,,,,,,,,,,0.0,,,,,,
COc1cccc(C2=CC(c3ccccc3)N3NC=NC3=N2)c1,CID5389366,,,,,,,,,,,,0.0,,,,,
COc1cccc(C2=CC(c3ccc(N(C)C)cc3)N3NC=NC3=N2)c1,CID5389455,,0.0,,,,,,,,,,,,,,,
CC(=O)NC1=NC2=NC(c3ccccc3)=CC(c3ccc(F)cc3)N2N1,CID5389400,,,,,,,,,,,0.0,,,,,,
OCCCC1=NC2=NC(c3ccc(F)cc3)=CC(c3ccccc3)N2N1,CID5310352,,,0.0,,,,,,,,,,,,0.0,,
Cc1ccc(C2C=C(c3ccccc3OC(F)F)N=C3N=CNN32)cc1,CID5771285,,,0.0,,,,,,,,0.0,,,,,,
COc1ccc(C2C=C(c3ccc(C)cc3)N=C3N=CNN32)cc1,CID5389451,,,0.0,,,,,0.0,,,,,,,,,
COc1ccc(C2C=C(c3ccc(C)c(C)c3)N=C3N=CNN32)c(OC)c1OC,CID5307891,0.0,0.0,,0.0,,0.0,,,,,,,,0.0,,0.0,
COc1ccc(C2C=C(c3ccccc3)N=C3N=CNN32)cc1,CID5742546,,,,,,,,,,,,,,,0.0,,
COc1ccc(C2C=C(c3ccccc3)N=C3N=C(CCCO)NN32)cc1,CID5742568,,,,,,,,0.0,,,,,,,,,
CCOC(=O)C1=C(c2ccccc2)N=C2N=CNN2C1c1ccc(OC)c(OC)c1OC,CID5951900,,,,,,,,,,,,,,,0.0,,
COc1ccccc1C1C=C(c2ccc(Br)cc2)N=C2N=C(NS(C)(=O)=O)NN21,CID5389573,,,,,,,,,,,0.0,,,,,,
COCCNC(=O)C1CC(c2cccc([N+](=O)[O-])c2)=NO1,CID11958531,,,,,,0.0,,,,,,,,,,,
O=C(O)C1CC(c2cccc(Br)c2)=NO1,CID2962252,0.0,,,,,,,,,,,0.0,,,,,0.0
COc1cccc(C2=NOC(C(=O)NC(C)(C)C)C2)c1,CID3242561,,,,,0.0,,,,,,,,,,,,
COCCNC(=O)C1CC(c2ccc(F)cc2)=NO1,CID9550380,,,,,,0.0,,,,,,,,,,,
CCOC(=O)C1ON=C(c2c(OC)cc(OC)cc2OC)C1C(=O)OCC,CID7314381,,,,,,,,,,,,,,0.0,,,
CCCCNC(=O)C1CC(c2c(Cl)cccc2Cl)=NO1,CID11958467,,,,,,,,,,,,,,,0.0,,
CCC(C)NC(=O)C1CC(c2ccc(OC)cc2)=NO1,CID3238064,,,,,,,,0.0,,0.0,,,,,,,0.0
O=C(O)C1CC(c2ccccc2)=NO1,CID555517,,,,,,,,,0.0,,,,,,,,
C=CCNC(=O)C1CC(c2cccc(OC)c2)=NO1,CID3240411,,,,,,,,,,0.0,,,0.0,,,,
COc1cc(OC)c(C2=NOC(C(=O)O)C2)cc1Cl,CID2974597,,,,,,,,,,,,,,,0.0,0.0,0.0
COCC(C)NC(=O)C1CC(c2cccc(Br)c2)=NO1,CID666252,0.0,,,,,,0.0,,0.0,,0.0,0.0,,,,0.0,0.0
COc1ccc(C2=NOC(C(=O)NC(C)C)C2)cc1,CID3240344,,,,,0.0,0.0,,0.0,,,,,,,,,0.0
COc1ccc(C2=NOC(C(=O)NCC(C)C)C2)cc1,CID3238762,,,,,0.0,0.0,,,,0.0,,,0.0,,,,0.0
O=C(O)C1CC(c2ccccc2F)=NO1,CID649545,,,,0.0,,,,0.0,,,,,,,,,
COc1ccc(C2=NOC(C(=O)NC(C)(C)C)C2)cc1,CID3242165,,,,,0.0,0.0,,,,,,,,,,,
CC(C)(C)C1(O)CC(c2ccccc2)=NO1,CID2853587,,,,,,0.0,,,,,,,,,,,
COc1cccc(C2=NOC(C(=O)NC(C)C)C2)c1,CID3238224,,,,,0.0,0.0,,,,0.0,,,,,,,0.0
CCN(CC)C(=O)C1CC(c2ccc(OC)cc2)=NO1,CID3243030,0.0,,,,,,,0.0,,,,,,,,,
COCCNC(=O)C1CC(c2cccc(OC)c2)=NO1,CID3239752,,,0.0,,,0.0,,,,0.0,0.0,,,,,,
CCC(C)NC(=O)C1CC(c2cccc(OC)c2)=NO1,CID3241953,,,,,,,,,,0.0,0.0,,,,,,
CCCCN(CCCC)CCCNC(=O)C1CC(c2cccc([N+](=O)[O-])c2)=NO1,CID11958529,,,,,,,,,,,,0.0,,,,,
COC(=O)C1CC(c2ccc(Cl)cc2)=NO1,CID368752,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1F,CID5308219,,0.0,,,,,0.0,0.0,,,,,,,,,
CCOc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1,CID5309599,,,,,,,,0.0,,,,,,,,,
COc1ccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c(OC)c1,CID5309520,,,,,,,0.0,,,,,,,,,,
Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(Cl)cc3F)ccc21,CID5307325,,0.0,,,,,,,0.0,,,,,,,,
CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(N(CC)CC)cc3C)ccc21,CID5308273,,,,,,0.0,,,,0.0,,,,,,,
Cn1c(=O)oc2cc(S(=O)(=O)Nc3cccc(F)c3)ccc21,CID2979972,,,,,,,0.0,,,,,,,,,,
COc1ccc(N(C)S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1,CID3240685,,,,0.0,,,,0.0,0.0,,,,0.0,,,0.0,
C=CCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C,CID5308124,,,0.0,,,,,,,,,,,,,,
CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)Nc3cc(OCC)ccc3OCC)ccc21,CID3238977,,,,,,,0.0,0.0,,,,,,,,,
CCOc1ccc(N(CC)S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1,CID3241213,,,,0.0,,,,,,,,,,,,0.0,
CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)Nc3cccc(C)c3)ccc21,CID5307727,,0.0,0.0,,,,,,,,,,0.0,,,,0.0
Cn1c(=O)oc2cc(S(=O)(=O)Nc3cccc(C(=O)O)c3)ccc21,CID654332,,,,,0.0,,,,,0.0,0.0,0.0,,,0.0,,
CC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1,CID3243993,,,,0.0,0.0,,,,,,,,,,,0.0,0.0
CCN(CC)c1ccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c(C)c1,CID5309276,,,,0.0,,,,,,,0.0,,0.0,,,0.0,
CCc1cccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1,CID3245899,,,,,,0.0,,0.0,,,,,,,,,
CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1,CID650329,,,0.0,0.0,,,,,0.0,,,,,,,0.0,
CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1,CID1093449,0.0,,,,0.0,,,,,,,,0.0,,,0.0,0.0
COC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1,CID1093448,,,,,0.0,,,0.0,,,,,,,,,0.0
COc1cc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc(OC)c1OC,CID1938687,,0.0,,,0.0,,,0.0,,0.0,,,,,,0.0,
CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc21,CID5307185,,,0.0,,,,,0.0,,,,,,,,,0.0
CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)Nc3c(C)cc(C)cc3C)ccc21,CID5308578,,,0.0,,,,,,,,,,,,,0.0,
CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)Nc3cc(Cl)ccc3OC)ccc21,CID5308462,,,,0.0,,,,,,0.0,,,,,,,
CC(C)NS(=O)(=O)c1cccc2nsnc12,CID758960,0.0,,,,,,0.0,,,,0.0,0.0,,,,,
CCN(CC)S(=O)(=O)c1cccc2nsnc12,CID551831,0.0,,0.0,,,,,,,,,0.0,0.0,,,,
CC(C)C(=O)Nc1cccc2nsnc12,CID654048,,0.0,0.0,,,,,,,,0.0,,0.0,,,,0.0
C=CCNS(=O)(=O)c1ccc2nsnc2c1,CID2256107,,,,,,,,,,,,,,0.0,,,
CC(C)(C)NS(=O)(=O)c1cccc2nsnc12,CID3236846,,,,,,,0.0,,,,0.0,,,,,,
CCCCC(CC)CNC(=O)CCS(=O)(=O)c1cccc2nsnc12,CID3236379,,0.0,0.0,,,,,,,,,,,,,,
COC(=O)Nc1ccc(C)c2nsnc12,CID605807,,,,,,,,,,,,,0.0,,,,
O=C(O)CCCNS(=O)(=O)c1cccc2nsnc12,CID1728632,,,,,,,,,0.0,,,,,,,,
CCCCC(CC)CNC(=O)CN(C)S(=O)(=O)c1cccc2nsnc12,CID3237259,,0.0,,,,0.0,0.0,,,,,,,,,,
CCCCN(CC)C(=O)CN(C)S(=O)(=O)c1cccc2nsnc12,CID3238553,0.0,,,0.0,,,,,,,,,,,,,
C=CCN(CC=C)S(=O)(=O)c1ccc2nsnc2c1,CID838812,0.0,,0.0,0.0,,,0.0,,,,0.0,,,,,,
CCOC(=O)CCCNS(=O)(=O)c1c(C)ccc2nsnc12,CID647367,,,,,0.0,,0.0,,,0.0,0.0,,,,,,
CCC(=O)Nc1c(C)ccc2nsnc12,CID842936,,,,0.0,,,0.0,,,,,,,,,,
O=C(O)COc1ccc2nsnc2c1Cl,CID658022,,,,,,,,,,0.0,,,,,,,0.0
CC(=O)Nc1c(C)ccc2nsnc12,CID933563,,,,,,,,,,,,,,,0.0,,
CC(C)CCNC(=O)CN(C)S(=O)(=O)c1cccc2nsnc12,CID3237330,0.0,,,,,0.0,0.0,,,0.0,,,,,,,
CCOC(=O)COc1ccc2nsnc2c1,CID617173,,,,,,,,0.0,,,,,,,,0.0,
CCCN(CCC)C(=O)CCS(=O)(=O)c1cccc2nsnc12,CID3241995,,0.0,,,0.0,,,,,,0.0,,,,,,
Cc1ccc2nsnc2c1N(S(C)(=O)=O)S(C)(=O)=O,CID3240195,,,,,0.0,,,,,,,,,0.0,,,
CCN(CC)C(=O)CN(C)S(=O)(=O)c1cccc2nsnc12,CID3244589,,,0.0,0.0,,,,,,,,,,,,,
Cc1cc2nsnc2c(S(=O)(=O)NCC(=O)O)c1C,CID692103,0.0,,,,,,,,,,0.0,,,,,,
CCOC(=O)COc1ccc2nsnc2c1Cl,CID533807,,0.0,,,,,,,,0.0,0.0,,0.0,,,,
CCOC(=O)Cc1nc(-c2ccccc2)n[nH]1,CID1486073,,,,,,,,,,,,,,,0.0,,
CCS(=O)(=O)n1nc(-c2ccccc2)nc1N,CID653199,,,,,,,,,,,,0.0,,,,,
Cc1ccc(-c2nc(N)n(S(C)(=O)=O)n2)cc1,CID828555,,,,0.0,,,,0.0,,0.0,,,0.0,,,,
CCCC(=O)n1nc(-c2ccccc2)nc1N,CID828601,,,,,,,,,,,,0.0,,,,,
CCC(=O)n1nc(-c2ccccc2)nc1N,CID828600,,,,,,,,,,,,0.0,,0.0,0.0,,
CCC(=O)n1nc(-c2ccc(OC)cc2)nc1N,CID3238881,,0.0,,,,,,0.0,,,,,,,,,
COc1ccc(-c2nc(N)n(C(C)=O)n2)cc1,CID753273,,,0.0,0.0,,,0.0,0.0,0.0,,,0.0,,0.0,0.0,,
CCC(=O)n1nc(-c2ccc(Cl)cc2)nc1SC,CID828528,,,,,,,,,,,,,,,0.0,,
CCS(=O)(=O)n1nc(-c2ccccc2)nc1SC,CID1088425,,,,,,,,,,0.0,,,,0.0,,,
CCS(=O)(=O)n1nc(-c2ccc(Cl)cc2)nc1N,CID828743,,0.0,,,,,,,,,,,,,,,0.0
CCCC(=O)n1nc(-c2ccc(OC)cc2)nc1N,CID753275,,0.0,,0.0,,,,,,,0.0,,,0.0,,,
CCC(=O)n1nc(-c2ccc(OC)cc2)nc1SC,CID976384,,,,,,,,,0.0,,0.0,,,,,,
CCS(=O)(=O)n1nc(-c2ccc(OC)cc2)nc1N,CID828746,,,,,,,,,,,,,,,0.0,,
CCS(=O)(=O)n1nc(-c2ccc(C)cc2)nc1N,CID828747,,0.0,0.0,,,,,,,,,0.0,,,,0.0,
CCS(=O)(=O)n1nc(-c2ccc(OC)cc2)nc1SC,CID828741,0.0,,0.0,,0.0,,0.0,,,,,,,0.0,,,
CCS(=O)(=O)n1nc(-c2ccc(Cl)cc2)nc1SC,CID828742,,,,,,,,,0.0,,0.0,,,,,,
COC(=O)c1nc(-c2ccccc2)n[nH]1,CID654883,,0.0,,,,,,,,,,0.0,,,,,
CS(=O)(=O)c1nc(-c2ccc(Br)cc2)n[nH]1,CID726126,,,,,,,,,,,,,,0.0,,,
CCCC(=O)n1nc(-c2ccccc2)nc1SC,CID828558,,,,,,,,,,,0.0,0.0,,,0.0,,
CCOC(=O)Cc1nc(-c2ccc(Cl)cc2)n[nH]1,CID1483083,,,,,,,,,,,,,,,0.0,,
CCCC(=O)n1nc(-c2ccc(Cl)cc2)nc1SC,CID828529,0.0,0.0,,0.0,0.0,,,,,,,,,,0.0,,0.0
CS(=O)(=O)n1nc(-c2ccccc2)nc1N,CID828540,,,,,,,,,,,,0.0,,,,,
CCOC(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1,CID1295907,0.0,,,,,,0.0,,0.0,,0.0,,,,0.0,,0.0
Cc1cc(Cl)ccc1OCC(=O)N1CCN(C)CC1,CID774163,0.0,,0.0,0.0,,0.0,,,,,,,0.0,0.0,,0.0,0.0
CCC(Oc1ccccc1)C(=O)N1CCN(CC)CC1,CID2932118,,,,,,,,,,,,0.0,,,0.0,,
CCOC(=O)N1CCN(C(=O)COc2ccccc2Cl)CC1,CID2062383,,,,,,,,,,0.0,,,,,,0.0,0.0
CCOC(=O)N1CCN(C(=O)C(C)(C)Oc2ccc(Cl)cc2)CC1,CID1084014,,0.0,,0.0,,0.0,,,,0.0,0.0,,,,,,
CC(C)(C)c1ccc(OCC(=O)N2CCN(C=O)CC2)cc1,CID873914,,0.0,0.0,,,,0.0,,,,,,0.0,,,,
Cc1ccc(OCC(=O)N2CCN(C)CC2)c(Br)c1,CID868012,,,,,,,0.0,,0.0,,,0.0,,,,0.0,0.0
CCOC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2C)CC1,CID719959,,,,,,,,,,0.0,,,,,,,
CCOC(=O)N1CCN(C(=O)COc2ccc(Br)cc2Cl)CC1,CID2226678,0.0,,,,,,,,0.0,,,,,0.0,,,
CN1CCN(C(=O)COc2ccc(C(C)(C)C)cc2Br)CC1,CID1291479,0.0,,,,,,0.0,,0.0,,,0.0,,,0.0,0.0,0.0
CC(C)c1ccc(OCC(=O)N2CCN(C)CC2)c(Br)c1,CID1318258,0.0,,,,,,0.0,,0.0,,0.0,,,0.0,,0.0,0.0
CCOC(=O)N1CCN(C(=O)COc2ccccc2OC)CC1,CID773925,,,,,,,,,,,,,0.0,,,0.0,
CCC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCN(CC)CC2)cc1,CID3156694,,,,,,,,,0.0,0.0,,,,,,,
CC(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1,CID2403087,0.0,,,,,,0.0,,0.0,,,,,,,,0.0
CC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCN(C)CC2)cc1,CID1084701,,0.0,,0.0,,,,0.0,0.0,,,,,,,0.0,
CCOC(=O)N1CCN(C(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2C)CC1,CID2968941,,,,,,,,,0.0,,,,,,,,
COc1cccc(OCC(=O)N2CCN(C)CC2)c1,CID699717,,0.0,0.0,,,0.0,,0.0,,,,,,,,,
CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(C)CC2)cc1,CID3156718,,,,,,,,,0.0,,,0.0,,,,,
CCOC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1,CID649610,0.0,,,0.0,,,,,,0.0,,,0.0,,,,
CCOC(=O)N1CCN(C(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2)CC1,CID1083022,,,,,,,,,,,,,,,,0.0,0.0
CCN1CCN(C(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2)CC1,CID1090425,,,,,,,,,0.0,,,,,,,,
CCOC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1,CID719962,,,,,,,,,,,,,,0.0,,,
Cc1nc(SCC(=O)O)c2oc3ccccc3c2n1,CID647889,,,,0.0,,,,0.0,,,,,,,,,
CCc1nc(NC(CC(C)C)C(=O)O)c2oc3ccccc3c2n1,CID7530225,,,,,,,,,,0.0,,,,,,,
Clc1ncnc2c1oc1ccccc12,CID609295,,,,,,,,,,,,,,0.0,,,
NC(=O)CSc1ncnc2c1oc1ccccc12,CID3310156,,,,,,,,0.0,,,,,,,,,
OCCN(CCO)c1ncnc2c1oc1ccc(Br)cc12,CID2010630,,,,,,,,,0.0,,,,,,,,
CCc1nc(SCCO)c2oc3ccccc3c2n1,CID665443,,,0.0,,0.0,0.0,0.0,0.0,,,0.0,,,,,,
Cc1nc(SCCO)c2oc3ccccc3c2n1,CID663877,,0.0,0.0,,0.0,,0.0,,,,,,,,,,
CCCSc1ncnc2c1oc1ccccc12,CID2059317,,,,,,0.0,0.0,,,,,,,,,,
N#CCCSc1ncnc2c1oc1ccccc12,CID663378,,,,0.0,,,,,,,,,0.0,,,,
CCOC(=O)CC(=O)CSc1ncnc2c1oc1ccccc12,CID664514,,,0.0,,,,0.0,,,,,0.0,,,,,
CC(=O)CSc1ncnc2c1oc1ccccc12,CID664285,,,,,,,,,,,,0.0,,,,,
CCSc1nc(C)nc2c1oc1ccccc12,CID664848,,,,,,,,,,,,,0.0,,,,
O=C(O)CSc1ncnc2c1oc1ccccc12,CID2562079,,,,,,,,,,,,0.0,,,,,
CC(C)Sc1ncnc2c1oc1ccccc12,CID2059318,,,,,,,,,,,,,,0.0,0.0,,
CN(C)CCOc1ncnc2c1oc1ccccc12,CID2039866,,,,,,,,,,,,0.0,,,,,
CCSc1ncnc2c1oc1ccccc12,CID664523,0.0,,,,,0.0,,,,,,,,,,,
OCCSc1ncnc2c1oc1ccccc12,CID664942,,,,,0.0,,,,,,,,,,,,
CCc1nc(NC(C(=O)O)C(C)CC)c2oc3ccccc3c2n1,CID9551800,,,,,,,,,,,0.0,,,,,,
CCc1nc(OCCN(C)C)c2oc3ccccc3c2n1,CID667298,,0.0,,,,,,,,,,,,,,,
CCN(CC)CCOc1ncnc2c1oc1ccccc12,CID667005,,,,,,,,,,,,0.0,,,,,
CCOC(=O)CC(=O)CSc1nc(C)nc2c1oc1ccccc12,CID664622,,,,,,,,,0.0,,,,,,,,
CNC(=O)C(Sc1nc(C)nc2c1oc1ccccc12)C(C)=O,CID3347951,,,,,,,,,,,,0.0,,,,,
Cc1ccccc1C(=O)Nc1nnc(-c2ccc(F)cc2)o1,CID3426335,,,,,,,,0.0,,,,,,,,,
COc1cccc(-c2nnc(NC(=O)c3ccccc3Br)o2)c1,CID4694916,0.0,,,,,,,,,,,,,,,0.0,
COc1cccc(-c2nnc(NC(=O)c3cccc(F)c3)o2)c1,CID4626316,,,,,,,,0.0,,,,,,,,,
COc1ccc(-c2nnc(NC(=O)c3ccccc3C)o2)cc1,CID4361989,0.0,,,,,,0.0,,,,,,,,,,
CC(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)o2)cc1,CID4456705,0.0,,,,,,,,,,,,,,,0.0,
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cc(OC)cc(OC)c3)o2)cc1,CID2158975,,,,,,,,,0.0,,0.0,,,,,,0.0
COc1ccc(-c2nnc(NC(=O)c3cc(Cl)ccc3Cl)o2)cc1,CID5111734,0.0,,,,,,,,,,,,,,,,
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccc(OC)c3)o2)cc1,CID2158928,,0.0,,,,,,0.0,0.0,,,,0.0,,,0.0,
O=C(Nc1nnc(-c2ccc(F)cc2)o1)c1cccc([N+](=O)[O-])c1,CID5187457,,,,,,,,,,,,,,,0.0,,
COc1ccccc1C(=O)Nc1nnc(-c2ccc(F)cc2)o1,CID5004011,,,,,,,0.0,,,,,,,,0.0,,
CCOc1ccc(-c2nnc(NC(=O)c3ccc(OCC(C)C)c(OC)c3)o2)cc1,CID2104218,,,0.0,,0.0,,,0.0,0.0,,0.0,0.0,0.0,,,,
COc1ccccc1C(=O)Nc1nnc(-c2ccc(Cl)cc2)o1,CID4079522,0.0,0.0,,,,,,,,,,,,,,0.0,0.0
O=C(Nc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1,CID805087,0.0,,,0.0,,,0.0,,,,,,,,0.0,0.0,0.0
COc1cccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc3)o2)c1,CID2158939,,,0.0,,,,,,0.0,,,,0.0,0.0,,,
CN(C)c1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)o2)cc1,CID3694793,0.0,,0.0,,,,,,,,,,,,,0.0,
COc1ccc(C(=O)Nc2nnc(-c3ccccc3)o2)cc1OC,CID691744,0.0,0.0,0.0,,,,,0.0,0.0,,,,,0.0,,,
COc1cccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)o2)c1,CID3623511,0.0,,,,,,,,,,,,,,,0.0,
COc1ccccc1-c1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)o1,CID2158911,,,0.0,,,,,0.0,0.0,,,,,,,,
COc1ccccc1-c1nnc(NC(=O)c2ccccc2F)o1,CID5221215,,,,,,0.0,,0.0,,,,,,0.0,,,
Cc1cccc(-c2nnc(NC(=O)c3ccc(Cl)cc3)o2)c1,CID691499,0.0,,,0.0,,,0.0,,,,,,,,0.0,,0.0
O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1Br,CID3315017,0.0,,,,,,,,,,,,,,,0.0,
CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccccc3Cl)o2)cc1,CID2158877,0.0,,0.0,0.0,0.0,0.0,,,,,,,,,,,0.0
CCCc1ccc(OCc2ccc(C(=O)OC)o2)c(OC)c1,CID890155,,,,,,,,,0.0,,,,,,,,
CN(C)C(=O)c1ccc(COc2ccccc2Br)o1,CID3242316,0.0,,,,,,,,,,0.0,,,,,,0.0
O=C(O)c1ccc(COc2ccc(Cl)cc2)o1,CID580501,,,,,,,,,,0.0,,,,,,,0.0
CCC(=O)c1ccc(OCc2ccc(C(=O)OC)o2)c(OC)c1,CID804679,,,,,,,,,0.0,,,,,0.0,,,0.0
COc1ccccc1OCc1ccc(C(=O)NC(C)(C)C)o1,CID3244876,0.0,,0.0,,,,,,,,,,,,,0.0,0.0
C/C=C/c1ccccc1OCc1ccc(C(=O)OC)o1,CID805751,,,,,,,,,0.0,,,,,0.0,,,
O=C(O)c1ccc(COc2c(F)c(F)cc(F)c2F)o1,CID2056594,,,,,,,,,0.0,,,,,,,,0.0
CCOc1ccc(OCc2ccc(C(=O)O)o2)cc1,CID756954,,,,,,,,0.0,0.0,,0.0,,,,,,
O=C(O)c1ccc(COc2c(F)c(F)c(F)c(F)c2F)o1,CID660425,,,,,,,,,,,,,,,,,0.0
O=C(O)c1ccc(OCc2occc2C(=O)O)cc1,CID823830,,,0.0,,,,0.0,,,,,,0.0,0.0,,,
Cc1cc(C)cc(OCc2ccc(C(=O)O)o2)c1,CID725878,,,,0.0,,,0.0,,0.0,,,,0.0,0.0,,,
C=CCc1ccc(OCc2ccc(C(=O)OC)o2)c(OC)c1,CID738498,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccc(COc2cccc(OC)c2)o1,CID890564,,,,,,,,0.0,0.0,,,,,0.0,,,
CC(C)(C)NC(=O)c1ccc(COc2ccccc2Br)o1,CID1269680,0.0,,,,,,,,0.0,,0.0,0.0,,,0.0,0.0,0.0
CCN(CC)C(=O)c1ccc(COc2ccccc2Br)o1,CID1269686,0.0,,,,,,0.0,,,,,0.0,,,,,0.0
COC(=O)c1ccc(COc2ccc(C=O)cc2OC)o1,CID738499,,,,,,,,,,,,,,0.0,,,
O=C(O)c1ccc(COc2ccccc2[N+](=O)[O-])o1,CID580712,,,,,,,,,,,,,,,0.0,,
COc1ccccc1OCc1ccc(C(=O)NCCN(C)C)o1,CID717017,0.0,,,,0.0,,0.0,,,,,,0.0,,,0.0,
CCCc1ccc(OCc2ccc(C(=O)O)o2)c(OC)c1,CID725863,,,,,,,,,0.0,,,,,0.0,,,
COc1ccccc1OCc1ccc(C(=O)N(C)C)o1,CID4170344,,,,,,0.0,,,,,,,,,,,
C/C=C/c1ccccc1OCc1ccc(C(=O)O)o1,CID757560,,,0.0,,,,,,,,,,,,,,
COC(=O)c1ccc(COc2ccccc2[N+](=O)[O-])o1,CID843250,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(-c2nnc3n2N=C(c2cccc(Br)c2)CS3)cc1OC,CID662582,,,,,,,0.0,,0.0,,,,,,,0.0,0.0
CCOc1cccc(-c2nnc3n2N=C(c2cc(OC)ccc2OC)CS3)c1,CID662235,,,0.0,,0.0,,,,,,,,0.0,,,,0.0
COc1ccc(OC)c(C2=Nn3c(nnc3-c3cc(OC)c(OC)c(OC)c3)SC2)c1,CID663406,0.0,0.0,,,0.0,,,,,,,0.0,,,,0.0,0.0
Cc1ccc(-c2nnc3n2N=C(c2ccccc2)CS3)cc1,CID4440751,0.0,,,,,,,,,,,,,,,,
Cc1cccc(-c2nnc3n2N=C(c2ccccc2)CS3)c1,CID662651,0.0,,0.0,0.0,,,,,,,0.0,,,,,,
Cc1cccc(-c2nnc3n2N=C(c2ccccc2Br)CS3)c1,CID665856,,,,,,,,,0.0,,0.0,,,,,,
COc1ccc(OC)c(C2=Nn3c(nnc3-c3cccc(OC(C)C)c3)SC2)c1,CID662384,0.0,,,,0.0,,,,,,,,,,,,0.0
COc1ccc(C2=Nn3c(nnc3-c3ccccc3OC)SC2)cc1OC,CID662965,,0.0,,,0.0,,,,,,,,,,,,
Brc1ccccc1C1=Nn2c(nnc2-c2ccccc2)SC1,CID665806,,,,,,,,,,,,,,,,,0.0
Cc1ccc(-c2nnc3n2N=C(c2ccccc2Br)CS3)cc1,CID665805,,,,,,,0.0,,0.0,,0.0,,,,,,
COc1cc(-c2nnc3n2N=C(c2ccccc2)CS3)cc(OC)c1OC,CID662336,0.0,,,,0.0,,,,,,0.0,,,,,,0.0
COc1cccc(-c2nnc3n2N=C(c2cccc(Br)c2)CS3)c1,CID663349,,,,,,,0.0,,0.0,,,,,,,0.0,0.0
COc1ccc(C2=Nn3c(nnc3-c3ccc(OC)cc3)SC2)cc1,CID662872,0.0,,,,0.0,,,0.0,,,,,0.0,,,,
CCOc1ccc(C2=Nn3c(nnc3-c3ccccc3)SC2)cc1Cl,CID3235688,0.0,0.0,,,0.0,,,,,,,,0.0,,,,
COc1ccc(-c2nnc3n2N=C(c2ccccc2)CS3)cc1OC,CID662618,0.0,,,,0.0,,,,,,,,,,,0.0,
COc1cccc(-c2nnc3n2N=C(c2cc(OC)ccc2OC)CS3)c1,CID662394,,,,,,0.0,,,,,,,,,,,0.0
CCOc1ccc(C2=Nn3c(nnc3-c3ccc(OC)cc3)SC2)cc1,CID662468,0.0,0.0,0.0,,0.0,,,,,,0.0,,,,,,
CCOc1ccc(C2=Nn3c(nnc3-c3ccccc3OC)SC2)cc1,CID663143,0.0,,,,0.0,0.0,0.0,,,,,,,,,,
COc1ccc(C2=Nn3c(nnc3-c3ccccc3)SC2)cc1OC,CID663200,0.0,,,,0.0,,,,,,,,,,,,0.0
CCOc1ccc(-c2nnc3n2N=C(c2ccc(OC)cc2)CS3)cc1,CID662996,,,,,0.0,0.0,0.0,,,,0.0,,,,,,
Cc1cccc(-c2nnc3n2N=C(c2ccc(Br)cc2)CS3)c1,CID662613,,,,,,,,,,,,,,,,0.0,
Cc1ccc(-c2nnc3n2N=C(c2ccc(Br)cc2)CS3)cc1,CID1310031,,,,,,,,,,,0.0,,,,,,0.0
Nn1c(COc2ccccc2)nnc1SC(F)F,CID972539,0.0,,,,0.0,,,,,0.0,,,0.0,,,,0.0
CCn1c(COc2ccccc2OC)nnc1SCC#N,CID652674,,,0.0,,,,0.0,,0.0,,,,,,0.0,0.0,
CCn1c(COc2ccccc2)nnc1SCC(=O)C(C)(C)C,CID665102,0.0,,,,,,,,,,,0.0,0.0,0.0,,0.0,0.0
CNC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1CCOC,CID651027,0.0,0.0,,,0.0,,,,,,0.0,0.0,,,,,0.0
C=CCn1c(COc2ccccc2)nnc1SCC(=O)C(C)(C)C,CID665148,0.0,,,0.0,,,,,,,,,,,0.0,0.0,
CCOC(=O)CNC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1CC,CID664891,0.0,,0.0,,0.0,,,,0.0,,0.0,,0.0,,,,0.0
COc1cccc(OCc2nnc(SC)n2C)c1,CID647317,,0.0,,,,,,,,0.0,,,0.0,,0.0,,0.0
C=CCn1c(COc2ccccc2)nnc1SCC(=O)O,CID654351,,,,,,,0.0,,,,,0.0,0.0,,,0.0,
CCN(CC)C(=O)CSc1nnc(COc2ccccc2)n1CC,CID861754,,,,,,,,,,,0.0,,,,,,
Nn1c(COc2ccccc2)nnc1SCC(=O)O,CID656164,,0.0,,,,,,0.0,,0.0,,,,,,,
CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)C(C)(C)C,CID665195,0.0,,,0.0,,,,0.0,,,,,0.0,,0.0,0.0,
COCCn1c(COc2ccccc2)nnc1SCC(N)=O,CID648951,,0.0,0.0,0.0,,,0.0,,0.0,,,0.0,0.0,,,,
C=CCn1c(COc2ccccc2C)nnc1SCC(=O)O,CID2239735,,0.0,,0.0,,,,,,,,,0.0,,,,0.0
C=C(C)Cn1c(COc2ccccc2)nnc1SCC(=O)O,CID1106125,,,,0.0,,,,,,,,,,,,0.0,0.0
COCCn1c(COc2ccc(Cl)cc2)nnc1SCC(N)=O,CID653495,0.0,0.0,0.0,0.0,0.0,,0.0,,,,,,,,,,0.0
Cn1c(COc2ccc([N+](=O)[O-])cc2)nnc1SCC(N)=O,CID3143160,,,,,,,,,,,,,,,0.0,,
Cc1ccc(OCc2nnc(SCC(=O)O)n2N)cc1,CID977259,,,,,,0.0,,,0.0,0.0,,0.0,,,,,
COc1ccc(OCc2nnc(SCC(=O)O)n2N)cc1,CID655265,,0.0,,,,,,,0.0,,0.0,,,,,,
C=CCn1c(COc2ccccc2)nnc1SCC(=O)NCC(=O)OCC,CID665372,,0.0,0.0,0.0,,,,0.0,0.0,,,,0.0,,,,
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)NCC(=O)OCC,CID666144,0.0,,0.0,,0.0,,,,0.0,,,0.0,,,,,
CCn1c(COc2ccccc2C)nnc1SCC(=O)OC,CID646881,0.0,0.0,,,,,0.0,,,,,,,,,0.0,
CCn1c(COc2ccccc2C)nnc1SCC(=O)O,CID653660,,0.0,,,,,,0.0,,,,,,,,0.0,0.0
CN(C)C(=O)N1CCC(C(=O)NCc2ccccc2)CC1,CID3238297,,,,,,,,0.0,,,,,0.0,,,,
CCS(=O)(=O)N1CCC(C(=O)NCc2ccc(F)cc2Cl)CC1,CID3244069,0.0,0.0,,,,,,,,,,,0.0,,,,0.0
CS(=O)(=O)N1CCC(C(=O)NCc2ccc(F)cc2Cl)CC1,CID3236011,0.0,,,0.0,,,,,,0.0,,,0.0,,,,0.0
CCCS(=O)(=O)N1CCC(C(=O)NCc2ccccc2Cl)CC1,CID3236552,,0.0,,,0.0,,0.0,,,,,,,,,,
COc1ccc(CNC(=O)C2CCN(C(=O)C(CC(C)C)NC(=O)OC(C)(C)C)CC2)cc1,CID664402,,,,,,0.0,,,,,,,,,,,0.0
CCS(=O)(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1,CID3237090,,0.0,,,,,,0.0,,0.0,,0.0,,,,,
COc1cccc(CNC(=O)C2CCN(C(=O)N(C)C)CC2)c1,CID3244928,,0.0,,,,,,,,,,,,,,,
COc1ccccc1CNC(=O)C1CCN(C(=O)N(C)C)CC1,CID4690281,,,,,,,,,,,,,,,0.0,,
COc1ccc(CNC(=O)C2CCNCC2)cc1,CID883876,,,0.0,0.0,0.0,,,0.0,,0.0,,0.0,,,,,
CN(C)C(=O)N1CCC(C(=O)NCc2ccccc2Cl)CC1,CID3235965,0.0,0.0,,0.0,,,0.0,,,0.0,,,,,,0.0,
CC(C)CN(CC(C)C)S(=O)(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1,CID3244213,,,,0.0,,0.0,,,,,,,,,,0.0,0.0
CN(C)C(=O)N1CCC(C(=O)NCc2ccc(F)cc2Cl)CC1,CID3242928,,0.0,,,,,,,,,,,,,,,0.0
CCS(=O)(=O)N1CCC(C(=O)NCc2ccc(OC)cc2OC)CC1,CID4072854,,,,,,,,,,,,,,,0.0,,
CN(C)C(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1,CID5123397,,,,,,0.0,,0.0,,,,,,,,,
COc1ccccc1CNC(=O)C1CCN(S(C)(=O)=O)CC1,CID774752,,,0.0,0.0,,,,0.0,,,,,,,0.0,0.0,
CCS(=O)(=O)N1CCC(C(=O)NCc2cccc(OC)c2)CC1,CID3237274,,,,0.0,,0.0,0.0,,0.0,,,,,,,0.0,
CCOc1ccc(CNC(=O)C2CCN(S(=O)(=O)CC)CC2)cc1OC,CID3239811,,,0.0,0.0,,,,0.0,,,,0.0,,,,0.0,
CCN(CC)S(=O)(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1,CID3240785,,0.0,,,,0.0,,,,,,,,0.0,,0.0,0.0
CCS(=O)(=O)N1CCC(C(=O)NCc2ccccc2OC)CC1,CID3239073,,,0.0,0.0,,,,,,,,,,,,0.0,
COc1ccc(OC)c(CNC(=O)C2CCN(S(C)(=O)=O)CC2)c1,CID3623876,,,,,,,,,,,,,,,0.0,,
COc1ccc(OC)c(CNC(=O)C2CCN(C(=O)N(C)C)CC2)c1,CID3242125,,0.0,,,,,0.0,,,,,,,,,,
CCN(CC)S(=O)(=O)N1CCC(C(=O)NCc2ccc(C)cc2)CC1,CID3241450,,,0.0,,,,0.0,,,,0.0,0.0,0.0,,,0.0,
CCOC(=O)Cn1nc(-c2ccc(C)cc2)ccc1=O,CID3245279,,,,,,,,,,,,,0.0,,,,
C=CCNC(=O)Cn1nc(-c2ccccc2)ccc1=O,CID3236540,,0.0,0.0,,,,,,0.0,0.0,0.0,,,,,,
O=c1cc(Cl)c(-c2ccccc2)n[nH]1,CID2735803,,,,,,,,,,,,,,0.0,,,
O=c1ccc(-c2ccccc2)n[nH]1,CID75106,,,,,,,,,,,,0.0,,,,,
CCOCCCNC(=O)Cn1nc(-c2ccccc2)ccc1=O,CID4061005,,,,,,,0.0,,,,,,,,,,
COCCNC(=O)CCn1nc(-c2ccc(Cl)cc2)ccc1=O,CID3244988,0.0,,,,,,,,,,,,,,,,0.0
COCCCNC(=O)Cn1nc(-c2ccc(C)cc2)ccc1=O,CID3243756,,0.0,,0.0,,0.0,,0.0,0.0,,,,,,,,0.0
CC(C)CCNC(=O)CCn1nc(-c2ccccc2)ccc1=O,CID3244337,,0.0,,,0.0,0.0,,0.0,0.0,,,,,,,,
COc1ccccc1-c1ccc(=O)n(CC(=O)NC(C)(C)C)n1,CID656237,,,0.0,,0.0,,0.0,,0.0,,,0.0,0.0,,0.0,,
CCOC(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O,CID774061,,0.0,,,,,,,,,,,0.0,,,,0.0
CCCCCc1ccc(-c2ccc(=O)[nH]n2)cc1,CID658318,0.0,,,0.0,0.0,0.0,,,,,,0.0,,,,,
COCCNC(=O)Cn1nc(-c2ccccc2OC)ccc1=O,CID648546,,,,,,,,0.0,,,0.0,,,,,,
CC(C)OCCCNC(=O)Cn1nc(-c2ccccc2)ccc1=O,CID3239892,,0.0,0.0,,0.0,,0.0,0.0,0.0,,,,,,0.0,,
COc1ccc(-c2ccc(=O)[nH]n2)cc1,CID2810166,,,,,,,,0.0,,,,0.0,,,,,
CCCCNC(=O)CCn1nc(-c2ccccc2)ccc1=O,CID3239462,,,0.0,0.0,0.0,,,0.0,,,,0.0,,,,,
Cc1ccc(-c2ccc(=O)n(CC(=O)NCCN(C)C)n2)cc1,CID3241729,,,0.0,0.0,,0.0,,0.0,,,,,,,,,
CN(C)CCNC(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O,CID3236867,0.0,,0.0,0.0,,,0.0,0.0,,,,,0.0,,,,0.0
CN(C)CCNC(=O)Cn1nc(-c2ccccc2)ccc1=O,CID3235832,,,,,,,,0.0,,,,0.0,,,,,
CCN(CC)CCCNC(=O)Cn1nc(-c2ccccc2)ccc1=O,CID4067220,,,,,,0.0,,,,,,,,,,,
CCN(CC)CCNC(=O)Cn1nc(-c2ccc(C)cc2)ccc1=O,CID3236319,,,,0.0,,,,0.0,,,,,,,,,
CCCCN(C)CCCNC(=O)CCn1nc(-c2ccccc2)ccc1=O,CID3243725,,,,,,,,,0.0,,,,,,,,0.0
CCOC(=O)Cn1nc(-c2ccccc2)ccc1=O,CID3240850,,,,,,,,0.0,,,,,,,,,
COCCCNC=C1C(=O)CC(C)(C)CC1=O,CID3236141,,,,0.0,,,,,,,,,0.0,,,,
CCCCCCNC=C1C(=O)CC(C)(C)CC1=O,CID657606,,,,0.0,,,0.0,,,,,,,,,0.0,
CC1(C)CC(=O)C(=CNCCCO)C(=O)C1,CID1713558,,,,,0.0,,,0.0,,,,,0.0,,,,
CNC=C1C(=O)CC(C)(C)CC1=O,CID657537,,,,,,0.0,,,,0.0,,,,,,,0.0
CCC(NC(CC)CO)=C1C(=O)CC(C)(C)CC1=O,CID659085,,,,0.0,0.0,,,,0.0,,,,,,,,
CCC/C(NCC(=O)O)=C1/C(=O)CC(C)(C)C(C(=O)OC)C1=O,CID5310663,,,,,,,,,,0.0,,,,,0.0,,
CC1(C)CC(=O)C(=CNC(CCC(N)=O)C(=O)O)C(=O)C1,CID3241870,,,,,0.0,,,,,,,,0.0,,,,
CC1(C)CC(=O)C(=CN)C(=O)C1,CID660636,,,,,0.0,,,0.0,,,,,,,,,
CC(N)=C1C(=O)CC(C)(C)CC1=O,CID788238,,,,,0.0,,,,,,,,,,,,
CCCC/C(NCCO)=C1/C(=O)CC(C)(C)C(C(=O)OC)C1=O,CID5389123,,,0.0,,,,,,,,,,,,,,
CCC(CO)NC=C1C(=O)CC(C)(C)CC1=O,CID2834810,,,,0.0,0.0,,,,,,,,,,,,
COCC(C)NC=C1C(=O)CC(C)(C)CC1=O,CID2849170,,0.0,,,,,,,,0.0,,,,,,,
CN/C(C)=C1\C(=O)CC(C)(C)C(C(=O)OC)C1=O,CID5310881,,,,0.0,,,,0.0,,,,,,,,,
C=CCNC(CC)=C1C(=O)CCCC1=O,CID659103,,,,0.0,,,0.0,,,,,,,,,0.0,
CCCCN/C=C1\C(=O)CC(C)(C)C(C(=O)OC)C1=O,CID2834692,,,,,0.0,,,0.0,,0.0,,,0.0,,0.0,0.0,
CCC(C)N/C=C1\C(=O)CC(C)(C)C(C(=O)OC)C1=O,CID2834693,,,,,,,,,,0.0,,,,,,,
CCCC(N)=C1C(=O)CC(CC(C)SCC)CC1=O,CID179009,,,,,0.0,,0.0,,,,,,,,,,
CC1(C)CC(=O)C(=CNCCO)C(=O)C1,CID534279,,,,,0.0,,,,0.0,,,,,,,,
CC1(C)CC(=O)C(=CNCC(N)=O)C(=O)C1,CID867714,,,,0.0,0.0,,,,,,,0.0,,,,,
COC(=O)C1C(=O)/C(=C(\C)N)C(=O)CC1(C)C,CID3116057,,,,,0.0,,,,,,,,0.0,,0.0,,
CSCCC(NC=C1C(=O)CC(C)(C)CC1=O)C(=O)O,CID2834650,,,,,,,0.0,,,,,,,,,0.0,
CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)Nc2cc3c(cc2C(C)=O)OCO3)cc1,CID654034,,,0.0,,0.0,,0.0,,,,,,,,,,
Cc1cc(Cl)c(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1OCC(N)=O,CID1290492,0.0,,,0.0,,,0.0,,,,,,,,,,
CC(=O)c1cc2c(cc1NS(=O)(=O)c1ccccc1C)OCO2,CID836723,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1C,CID975684,,,,,,,,,0.0,,,0.0,,,,,
Cc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)Nc1ccc2c(c1)OCO2,CID1325129,,,,,,,,,,,,,,,0.0,,
CC(=O)c1cc2c(cc1NS(=O)(=O)c1ccccc1)OCO2,CID858778,,,,,,,,,0.0,0.0,,0.0,,,0.0,,
CC(=O)c1cc2c(cc1NS(=O)(=O)c1ccc(C)cc1)OCO2,CID858777,,,,,,,,,0.0,0.0,0.0,,,0.0,,,
CC(=O)c1cc2c(cc1NS(=O)(=O)c1ccc(F)cc1)OCO2,CID858781,,,,,,,,,,,,,,0.0,,,
COc1ccc(F)cc1S(=O)(=O)Nc1ccc2c(c1)OCO2,CID1508539,,,,,,,,0.0,0.0,,,,,,,,
CC(=O)c1ccc(S(=O)(=O)Nc2cc3c(cc2C(C)=O)OCO3)cc1,CID2649934,,,,,,,,,,,,,,0.0,,,
COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1,CID868942,,,,,,,,,0.0,,,0.0,,,,,
CCC(C)NS(=O)(=O)c1ccc(S(=O)(=O)Nc2cc3c(cc2C(C)=O)OCO3)cc1,CID645971,,,0.0,,0.0,,0.0,,,,0.0,,,,,,
COC(=O)COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1,CID1082971,,,,0.0,0.0,,,0.0,,,,,,0.0,0.0,0.0,
COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1C(=O)O,CID1325582,,,,0.0,,,,,,,,,,,,0.0,
O=C(O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1,CID2161805,,,,,0.0,,,,0.0,0.0,,,0.0,0.0,0.0,,
CCOC(=O)COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1,CID1005954,,,,,0.0,,,0.0,0.0,0.0,,,,,,0.0,
O=S(=O)(Nc1ccc2c(c1)OCO2)c1ccccc1,CID774088,,,,,,,,,,0.0,,0.0,,0.0,,,
COC(=O)COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1Cl,CID2210899,,,,0.0,,,,,0.0,,,,,,,,
COc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)OCO2,CID2219535,,,,,,,,,,,,,,0.0,,,
CCCc1cc2c(cc1NS(=O)(=O)c1ccc(CCNC(C)=O)cc1)OCO2,CID1267737,,,,,,,0.0,,,,0.0,,,,,0.0,
COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1OC,CID768991,,,,,,,,,0.0,,,,,,0.0,,
CCCCCOc1ccc(N2C(=O)CC(N(O)c3ccccc3)C2=O)cc1,CID662103,0.0,,,0.0,0.0,,,0.0,,,,,0.0,,,,
CCc1ccc(NC2CC(=O)N(c3ccc(OC)cc3OC)C2=O)cc1,CID2975129,,,0.0,0.0,,,,,,,,,,,,,0.0
O=C1CC(Nc2ccc(F)cc2)C(=O)N1c1ccccc1Cl,CID3440475,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC2CC(=O)N(c3ccccc3)C2=O)cc1,CID2867498,,,,0.0,,,,,,,,0.0,,,,,
Cc1ccc(N2C(=O)CC(Nc3ccccc3)C2=O)cc1,CID2855947,,,,,,,,,,0.0,0.0,,,,0.0,,
Cc1cccc(C)c1N1C(=O)CC(N(O)c2ccccc2)C1=O,CID662096,0.0,0.0,,,,,,0.0,,0.0,,,0.0,,0.0,,
COc1ccccc1N(O)C1CC(=O)N(c2ccc(Br)cc2)C1=O,CID662098,0.0,,,,,,,,0.0,,,,,,,,0.0
Cc1c(Cl)cccc1N1C(=O)CC(N(O)c2ccccc2)C1=O,CID662099,,,0.0,0.0,,,,,,0.0,,,,0.0,,,
COC(=O)c1cccc(NC2CC(=O)N(c3ccc(OC)c(OC)c3)C2=O)c1,CID2999586,,,,,,,,0.0,,0.0,,,0.0,,,,
COc1ccc(N2C(=O)CC(Nc3ccc(C)cc3)C2=O)cc1,CID5102677,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1ccccc1NC1CC(=O)N(c2ccccc2C)C1=O,CID2998417,0.0,,,,,,0.0,,0.0,,0.0,,0.0,,,,
COc1ccc(N2C(=O)CC(Nc3ccc(F)cc3)C2=O)c([N+](=O)[O-])c1,CID4262078,,,,,,,,,,,,,,,0.0,,
COc1ccccc1N(O)C1CC(=O)N(c2ccc(F)cc2)C1=O,CID662161,,,,,,,,0.0,,,,,,,,,
COc1ccc(NC2CC(=O)N(c3cccc(C)c3)C2=O)cc1,CID2971667,0.0,,,,,,,,0.0,,,,,,,,
CCOc1ccc(N2C(=O)CC(N(O)c3ccccc3)C2=O)cc1,CID662209,,0.0,,,,,,0.0,,,,,,,,,
Cc1cccc(N2C(=O)CC(N(O)c3ccccc3)C2=O)c1,CID662172,,,,,,0.0,,,,,0.0,,,,,,
Cc1ccccc1N1C(=O)CC(N(O)c2ccccc2)C1=O,CID662171,,,,,,,,,,0.0,,,,,,,
O=C1CC(N(O)c2ccccc2)C(=O)N1c1cc(Cl)cc(Cl)c1,CID662170,,0.0,,,,,0.0,,,0.0,,0.0,,,,0.0,
CCOc1ccccc1N1C(=O)CC(N(O)c2ccccc2)C1=O,CID2856113,,,0.0,,,0.0,,,,0.0,0.0,,0.0,,,,
CCCOc1ccc(N2C(=O)CC(N(O)c3ccccc3)C2=O)cc1,CID662133,,,,0.0,,,0.0,,,,,,,,,,
CCCCOc1ccc(N2C(=O)CC(N(O)c3ccccc3)C2=O)cc1,CID662136,,,,0.0,0.0,,0.0,,,,,,0.0,,0.0,,
O=C(O)c1ccc(OCC(O)Cn2cnc3ccccc32)cc1,CID2876902,,,,,,,0.0,,,,,,,,,,
Cc1cc2ncn(CC(O)COc3cccc(C(=O)O)c3)c2cc1C,CID648216,,,0.0,,0.0,,0.0,,0.0,0.0,0.0,,,,,,
Cc1nc2ccccc2n1CC(O)COc1cccc(Cl)c1,CID2879802,,,,,,0.0,,,,,,,,,,,
CCC(=O)c1ccc(OCC(O)Cn2c(C)nc3ccccc32)cc1,CID2950064,,,0.0,,0.0,,,0.0,0.0,,0.0,0.0,,,0.0,,0.0
COCc1nc2ccccc2n1CCCOc1ccccc1,CID2947404,0.0,,,,0.0,,0.0,,,,,,0.0,,,0.0,
CC(C)(C)C(=O)NCCCc1nc2ccccc2n1CCCOc1ccc(Cl)cc1,CID2951358,,,,,,0.0,,,,,,,,,,,
Cc1ccc(OCCCn2c(CO)nc3ccccc32)cc1,CID2945948,0.0,,,,0.0,,,,,,,0.0,,,,0.0,0.0
Cc1nc2ccccc2n1CC(O)COc1ccc(Br)cc1,CID2876700,,,,,,,,,,,,,,,0.0,,
CC(C)c1ccc(OCC(O)Cn2cnc3ccccc32)cc1,CID2876576,0.0,,,,0.0,0.0,,0.0,,,,0.0,,,,0.0,
OCc1nc2ccccc2n1CCCOc1ccccc1,CID3150939,0.0,0.0,,,0.0,,,,,,,,,,,0.0,0.0
CCCOC(=O)c1ccc(OCC(O)Cn2c(C)nc3ccccc32)cc1,CID3155818,,,0.0,,0.0,,0.0,,0.0,0.0,,,,,,,0.0
CCC(=O)c1ccc(OCC(O)Cn2cnc3ccccc32)cc1,CID3242483,,,0.0,,0.0,,0.0,,0.0,,0.0,,,,,,0.0
Brc1ccccc1OCCCn1cnc2ccccc21,CID2966319,,,,,,,,,0.0,,,0.0,,,,,
OCc1nc2ccccc2n1CC(O)COc1ccccc1,CID2899102,0.0,,0.0,0.0,,,,,0.0,0.0,,,,,,,
OCc1nc2ccccc2n1CCCOc1ccc(Br)cc1,CID2964272,,,,,,,0.0,,0.0,,0.0,,,,,0.0,0.0
CC(=O)Nc1ccc(OCC(O)Cn2cnc3ccccc32)cc1,CID2964777,,,,,,,,,0.0,,,0.0,,,,,
CC(=O)Nc1ccc(OCC(O)Cn2c(C)nc3ccccc32)cc1,CID3158771,,,,,,,,,0.0,,,,,,,,
CCc1nc2ccccc2n1CC(O)COc1ccc(NC(C)=O)cc1,CID3158772,,,,,,,,,,,,0.0,,,,,
CC(=O)Nc1cccc(OCC(O)Cn2cnc3ccccc32)c1,CID656207,,0.0,,0.0,0.0,,,,,,,,0.0,,,,
COC(=O)c1cccc(OCC(O)Cn2cnc3cc(C)c(C)cc32)c1,CID654595,,,0.0,,0.0,,,,,,0.0,0.0,,,,,
COc1cc(OC)cc(OCC(O)Cn2cnc3cc(C)c(C)cc32)c1,CID3156778,,,,,0.0,,,0.0,0.0,,0.0,0.0,0.0,,,,
COc1ccc2nc(SCC(=O)Nc3ccccc3C#N)[nH]c2c1,CID666532,,0.0,,,,,,0.0,0.0,,0.0,,,,,0.0,
CC(Sc1nc2ccccc2[nH]1)C(=O)Nc1ccccc1F,CID4793859,,,,,,,,,,,,,,,0.0,,
COCCn1c(SCC(=O)Nc2cccc(S(N)(=O)=O)c2)nc2ccccc21,CID3454755,,,,,,0.0,,,,,,,,,,,
COc1ccc2nc(SCC(=O)Nc3ccc(Cl)cc3)[nH]c2c1,CID708861,,,,,,0.0,,,,,,,,,,,
Cc1cc2nc(SCC(=O)Nc3ccccc3C(=O)O)[nH]c2cc1C,CID541459,,,,,,,,,,,,,,0.0,,,
COCCn1c(SCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)nc2ccccc21,CID3998269,,,,,,,,,,,0.0,,,,,,
Cc1cccc(NC(=O)CSc2nc3ccc(C)cc3[nH]2)c1,CID779572,,,,,,0.0,,,,,,,,,,,
CCc1ccccc1NC(=O)CSc1nc2ccccc2n1CC(=O)N(C)C,CID651631,0.0,0.0,,,,,,,,0.0,0.0,,,,,0.0,0.0
COc1ccccc1NC(=O)CSc1nc2ccccc2n1C(C)=O,CID3245901,0.0,0.0,,,0.0,,,,0.0,,,,,,,,
CCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nc2ccccc21,CID645892,0.0,0.0,,0.0,0.0,,,0.0,,,,0.0,,,,0.0,
COc1ccc2nc(SCC(=O)Nc3ccccc3F)[nH]c2c1,CID742371,,,,,,0.0,,,,,,,,,,,
O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(F)c(F)c1,CID714648,,,,,,,,,,0.0,0.0,,,0.0,,,
CCc1cccc(C)c1NC(=O)CSc1nc2ccccc2n1CC(=O)N(C)C,CID648344,0.0,,,,,,0.0,0.0,,,0.0,,,,,0.0,0.0
COc1ccc2nc(SCC(=O)Nc3ccccc3C)[nH]c2c1,CID1399896,,,,,,,,,,,,,,0.0,,,
CC(C)Oc1ccccc1NC(=O)CSc1nc2ccccc2n1C,CID1356412,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC(=O)CSc2nc3ccccc3[nH]2)c(OC)c1,CID710438,,,,,,0.0,,,,,,,,,,,
O=C(CSc1nc2ccccc2[nH]1)Nc1c(F)cccc1F,CID2095603,,,,,,,,,,0.0,,,,,,,
COc1ccc2nc(SCC(=O)Nc3c(C)cccc3C)[nH]c2c1,CID889506,,,,,,0.0,,,,,0.0,,,,,,
COc1ccc2nc(SCC(=O)Nc3ccccc3)[nH]c2c1,CID2265051,,,,,,,,,,,,,,0.0,,,
O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(F)cc1,CID696867,,0.0,,,,,0.0,,,0.0,0.0,,,,,0.0,
COc1ccc2nc(SCC(=O)Nc3c(C)cc(C)cc3C)[nH]c2c1,CID1121410,,,,,,0.0,,,,,,,,,,,
Cc1cccc(NC(=O)CN2CCN(CC(=O)Nc3cccc(C)c3)CC2)c1,CID1284169,0.0,,,,,,,,0.0,,0.0,,0.0,,,0.0,0.0
COc1ccccc1NC(=O)CN1CCN(CC(=O)Nc2ccccc2F)CC1,CID3245087,,,,,,,,0.0,,,0.0,,,,,,
COc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1,CID3236000,0.0,,,,0.0,,,,,,,,0.0,,,0.0,0.0
CCOc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccc(C(=O)OC)cc3)CC2)cc1,CID3236850,,0.0,,0.0,,,,0.0,,0.0,,,0.0,0.0,,,0.0
CCOc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)cc1,CID9551026,,,,,,,,,0.0,,,,,,,,
COc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1Cl,CID3241535,0.0,,,,,,,,,,,,,,,,
COc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccccc3Cl)CC2)c(OC)c1,CID9550773,,,,,,,,,,,,0.0,,,,,
CCOc1ccc(NC(=O)CN2CCN(CC(=O)Nc3cccc(F)c3)CC2)cc1,CID3238082,,,0.0,,,,0.0,0.0,,,,,,,,,
O=C(CN1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1)Nc1ccccc1F,CID3245837,0.0,,,,,,,,,,,,,,,,
COc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccccc3F)CC2)c(OC)c1,CID3242332,,,,0.0,,,,,,,,,,,,,
CCOc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1,CID3236064,,,,0.0,,,,,,,,,,,,,
COc1ccccc1NC(=O)CN1CCN(CC(=O)Nc2ccc(F)cc2)CC1,CID3241498,,,,,,,,0.0,,,,,0.0,,,,
CCOc1ccc(NC(=O)CN2CCN(CC(=O)Nc3cc(OC)cc(OC)c3)CC2)cc1,CID3245746,,,,,,,0.0,,,,,,0.0,,,,
CCN(CC)c1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccccc3F)CC2)cc1,CID3244273,,,,,,,,,,,,0.0,,,,,0.0
COc1ccc(NC(C)=O)cc1NC(=O)CN1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1,CID3243802,,,,,0.0,,,,,,,,,,,,
COc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccccc3F)CC2)cc1OC,CID3241141,,,,,,,,,,,,0.0,,,,,0.0
CCN(CC)c1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1,CID3239420,,,,,,,,,,,0.0,,,,,,0.0
COc1ccc(NC(C)=O)cc1NC(=O)CN1CCN(CC(=O)Nc2ccccc2Cl)CC1,CID3240849,,,,,0.0,,0.0,,,,,,,,,,
COc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccc(OC)c(OC)c3)CC2)cc1,CID3239792,0.0,,0.0,,,,,,,,,,,,,,
COc1ccc(NC(=O)CN2CCN(CC(=O)Nc3cc(OC)cc(OC)c3)CC2)cc1,CID3241005,,,,,,,,,,,,,0.0,,,,0.0
CCOc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccc(F)c(F)c3)CC2)cc1,CID3245310,0.0,,,,,,,,,,,,,,,,
CCOC(=O)c1cccc(NS(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)c1,CID3237623,,,,,,,0.0,,,,,,,,,0.0,
COc1ccc(C)cc1NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O,CID5310306,,,,,,,,0.0,,,,,,,,,
Cc1ccc(Cl)cc1NS(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O,CID3244560,,,,,,,,,,0.0,,,,,,,0.0
Cn1cc(S(=O)(=O)Nc2ccc(Br)cc2F)c(=O)n(C)c1=O,CID5310140,,,,,,,0.0,,,,,,,,,,
COC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O,CID4105282,,,,,,,,,,,,0.0,,,,,
Cc1c(S(=O)(=O)Nc2cccc(Cl)c2)c(=O)n(C)c(=O)n1C,CID5310139,,0.0,,,,,,,,,,,,0.0,,,
COc1ccc(N(C)S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1,CID3239155,,,,,,,,,0.0,,,,,,,,
CCOC(=O)c1ccc(NS(=O)(=O)c2c(C)n(C)c(=O)n(C)c2=O)cc1,CID5310440,,,,,,,,,,,0.0,,,,,,
COc1cccc(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1,CID5310026,,,0.0,,,,,,,,,,,,,,
COC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O,CID4121127,,,,,0.0,,0.0,0.0,,,,,0.0,,,0.0,
Cc1cc(C)cc(N(CC(=O)O)S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)c1,CID4110629,,,,,,,,,,,,,,,0.0,,
Cc1ccc(N(C(C)C(=O)O)S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1,CID4117691,,,,,,,0.0,,,,,,,,,0.0,
CCN(c1ccc(C)c(C)c1)S(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O,CID3618917,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NS(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1C,CID3420080,,,,,,,,,,0.0,,,,,,,
Cc1cccc(C)c1NS(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O,CID3235698,,,,0.0,,,,,0.0,,,0.0,,,,0.0,
CC(C)c1ccc(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1,CID5310479,,,,,,,,,,,0.0,,,,,,0.0
CCCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O,CID3243032,,,,,,0.0,,,,,,,,,0.0,0.0,
COC(=O)C(C)N(c1ccc(C)cc1)S(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O,CID4110619,,,,,,,,,,,,,,,0.0,,
COC(=O)c1ccccc1NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O,CID5310593,,,,,,,,,,,,,0.0,,,,
COc1ccc(N(C)S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)c(OC)c1,CID3241225,,,,0.0,,,,,,,0.0,,,0.0,,0.0,
COc1ccc(NS(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)c(OC)c1,CID3244055,,,0.0,0.0,,,,,,,,,,,,0.0,
Cc1cc2ncn(CCOc3ccccc3C#N)c2cc1C,CID2233432,0.0,0.0,,,,,0.0,,,,,,,,0.0,0.0,
CC(=O)Nc1nc2ccccc2n1CCOc1ccccc1Cl,CID649567,0.0,0.0,0.0,,,,0.0,,,0.0,,,,,,0.0,0.0
Cc1ccc(OCCn2c(CCNC(=O)C(C)C)nc3ccccc32)cc1,CID993360,,,,,,,,,,,,0.0,,,,,
COc1ccccc1OCCn1c(C(C)O)nc2ccccc21,CID645681,,,,,,0.0,,,,,,,,,,,0.0
O=C(O)CCSc1nc2ccccc2n1CCOc1ccccc1,CID794607,,,0.0,0.0,,,,0.0,0.0,,,0.0,0.0,,0.0,,0.0
c1ccc(OCCn2cnc3ccccc32)cc1,CID709562,0.0,0.0,,,,,0.0,,0.0,,,,,,,0.0,
O=S(=O)(O)c1nc2ccccc2n1CCOc1ccccc1,CID650987,,0.0,,,,,,,0.0,,,0.0,0.0,,,,
OCCCc1nc2ccccc2n1CCOc1ccccc1,CID2911959,0.0,,,,0.0,,,,,,,0.0,0.0,,,,
OCCSc1nc2ccccc2n1CCOc1ccccc1,CID2772624,,,,,,,,,,,,,,0.0,,,
CC(O)c1nc2ccccc2n1CCOc1ccccc1,CID2912557,,,,,,,,,0.0,0.0,0.0,,,,,,
Cc1ccc(OCCn2c(CCCO)nc3ccccc32)cc1,CID648297,,,,,0.0,,,0.0,,0.0,,0.0,,0.0,,,0.0
Clc1ccc(OCCn2cnc3ccccc32)c(Cl)c1,CID748800,,,,,,,,,,0.0,,,,,,,
Clc1ccc(OCCn2cnc3ccccc32)cc1,CID803004,,0.0,,0.0,,,,,,,,0.0,,0.0,,0.0,0.0
Clc1ccccc1OCCn1cnc2ccccc21,CID845559,,0.0,,0.0,,,0.0,,,0.0,,,0.0,,,0.0,0.0
CCSc1nc2ccccc2n1CCOc1ccccc1,CID740256,,,,,,,,,,,0.0,,,,,,
Nc1nc2ccccc2n1CCOc1ccccc1Cl,CID780985,0.0,,,,,,,,,,,,,,,0.0,0.0
COCc1nc2ccccc2n1CCOc1ccccc1OC,CID649104,0.0,,0.0,,,0.0,0.0,,,,,,0.0,,,,
COc1ccccc1OCCn1c(CO)nc2ccccc21,CID667059,,,,,0.0,,0.0,,0.0,0.0,,0.0,0.0,,,,0.0
CC(=O)Nc1nc2ccccc2n1CCOc1ccccc1,CID763944,,,0.0,,0.0,,0.0,,0.0,0.0,,0.0,0.0,,,,
Cc1cccc(OCCn2c(S(=O)(=O)O)nc3ccccc32)c1,CID2772550,,,,,,,,,,,,0.0,,0.0,0.0,,
Cc1cccc(OCCn2c(CCCO)nc3ccccc32)c1,CID652963,,,,,0.0,,,,,,,,,,,,0.0
COCCNC(=O)c1ccc(CS(=O)(=O)c2ccc(OC)cc2)o1,CID5307730,,,,,,,,0.0,,0.0,,,,,,0.0,
CCN(CC)C(=O)c1ccc(CS(=O)(=O)c2ccc(OC)cc2)o1,CID5309838,,0.0,,,,,,,,,,,,,,,
CCCCNC(=O)c1ccc(CS(=O)(=O)c2cccc(C(F)(F)F)c2)o1,CID3241418,,,,,0.0,,0.0,,,,,,,,,,0.0
COC(=O)c1ccc(CS(=O)(=O)c2ccccc2C)o1,CID3242758,,,0.0,,,,,,0.0,,0.0,,,,,,
COCCCNC(=O)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1,CID5307960,,,,,,,0.0,,,,,,,,,0.0,
CCc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NC(C)C)o1,CID4053465,,0.0,,0.0,,,0.0,,,,,,,,,0.0,
COCCCNC(=O)c1ccc(CS(=O)(=O)c2ccc(OC)cc2)o1,CID5309325,,,,,,,,0.0,,,,,,,,,
Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCCCOC(C)C)o1,CID3243626,,0.0,,,,,0.0,,0.0,0.0,,,,,,0.0,
CCCCN(C)C(=O)c1ccc(CS(=O)(=O)c2ccccc2C)o1,CID5309814,0.0,,,,,,,,,,0.0,,,,,,
CC(C)NC(=O)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1,CID5308347,0.0,,,,,,,,,,,,,,,,
CCCCNC(=O)c1ccc(CS(=O)(=O)c2ccc(OC)cc2)o1,CID5309845,,0.0,,,,,,,,,,,,,,,
COCCNC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1,CID3239466,,,,,,,,,,,,0.0,,,0.0,,
O=C(O)c1ccc(CS(=O)(=O)c2cccc(C(F)(F)F)c2)o1,CID3243684,,,,,,,0.0,,,,,,,,,,0.0
COCCNC(=O)c1ccc(CS(=O)(=O)c2ccc(Cl)cc2)o1,CID3238194,,,,,,,,,,,,,0.0,,,,
COc1ccc(S(=O)(=O)Cc2ccc(C(=O)NC(C)C)o2)cc1,CID4682093,,,,0.0,,,,0.0,,,,,,,,0.0,
CN(C)CCNC(=O)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1,CID4324225,0.0,,,,,,,,,,,,,,,0.0,
Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)O)o2)cc1,CID9551108,,,,,,,,,1.0,,,,,,,,
COc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCCN(C)C)o1,CID4661814,,,,0.0,0.0,,,0.0,,,,,,,,0.0,
COCCNC(=O)c1ccc(CS(=O)(=O)c2ccc(C)cc2)o1,CID3239399,,,,,,,,,,0.0,,0.0,,,,,
CCN(CC)CCNC(=O)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1,CID5308576,0.0,,,,,,,,,,,,,,,0.0,
CCC(C)NC(=O)c1ccc(CS(=O)(=O)c2ccc(OC)cc2)o1,CID5308326,,,0.0,,,,,,,,,,,,,,
C/C(=C(\C#N)C(=O)NCCCN1CCOCC1)N(C)C,CID660010,,0.0,0.0,0.0,,,,,0.0,0.0,,0.0,,,,,
C/C(=C(\C#N)C(=O)NCCN1CCOCC1)N(C)C,CID659125,,0.0,0.0,0.0,,,,0.0,,,,0.0,,,,,
CCC(C)C(NC(=O)NCCCN1CCOCC1)C(=O)OC,CID663402,,,,,,,,0.0,,,0.0,,,,,,
CCOC(=O)C(NC(C)=O)(N1CCOCC1)C(F)(F)F,CID540218,,,,,,,0.0,,0.0,,,,,0.0,,,0.0
C/C(NCCN1CCOCC1)=C(\C#N)C(N)=O,CID870008,,,,,,,,,,,,0.0,,,,,
N/C(CCN1CCOCC1)=N\O,CID658263,,,,,,,,,,,,,,,,0.0,
OCCOCC#CCN1CCOCC1,CID660057,,,,0.0,0.0,,,0.0,,,,,,,,,
O=S(=O)(O)CCN1CCOCC1,CID78165,,,,,,,,,0.0,,,,,,,,
CCCCC(=O)NC(NC(=S)N1CCOCC1)C(Cl)(Cl)Cl,CID3114902,,,,,,,,,,,,0.0,,,,,
NCCCN1CCOCC1,CID61055,,,,,,,,,,,,0.0,,,,,
COCCNC(=O)C(=O)NCCN1CCOCC1,CID3156917,,,,,,,,,,,,,,0.0,,,
CCC(C#CCN1CCOCC1)(CC)OCCC#N,CID1624155,,,,,,,,,,0.0,,,,,,,
O=C(NCC(F)(F)F)N1CCOCC1,CID660111,,,,0.0,,,,,0.0,,,,,,,,0.0
C/C(=N\NC(=O)CN1CCOCC1)C(C)(C)C,CID872505,,,,,,,,,,,,0.0,,,,,
CC(C)(O)C#CC#CCN1CCOCC1,CID665385,,,,0.0,,,0.0,,,,,,,,,0.0,
CCCCCCCC(=O)NN1CCOCC1,CID1745499,,,,,,0.0,,,,,,,,,0.0,,
CCCCCC(=O)NC(NC(=S)N1CCOCC1)C(Cl)(Cl)Cl,CID3092628,,,,,,,,,0.0,,,,,,,,
CC(CC#CCN1CCOCC1)OCCC#N,CID572680,,,0.0,,,0.0,,0.0,,0.0,,,0.0,,,,
O=C(/C=N/O)NCCCN1CCOCC1,CID6400937,,,,,,,,,,,,,,,,,0.0
CCOCCCNC(=O)N1CCOCC1,CID2180707,,,,,,,,0.0,,,,,,,,,
N#CCCNC(=O)CCN1CCOCC1,CID657480,,0.0,,,,,,,,,,0.0,,,,,
COc1ccc(Oc2coc3cc(OC(C)=O)ccc3c2=O)cc1,CID719939,,,,,,0.0,,,,,,,,,,,
Cc1oc2cc(OC(C)C(=O)O)ccc2c(=O)c1Oc1ccccc1,CID2998635,,,,,,,,0.0,,,,,0.0,,,,
O=C(O)c1ccc(Oc2c(C(F)(F)F)oc3cc(O)ccc3c2=O)cc1,CID5503392,,,,,,,,,,,,,,0.0,,,
CC(=O)Oc1ccc2c(=O)c(Oc3ccccc3)c(C)oc2c1OC(C)=O,CID985344,,,,,,,,,,,,,,,0.0,,
CC(=O)Oc1ccc2c(=O)c(Oc3ccccc3[N+](=O)[O-])coc2c1,CID728401,,,,,,,,,,,,,,0.0,0.0,,
CCOc1ccc2c(=O)c(Oc3ccccc3)c(C)oc2c1,CID780343,,,,,,,,,0.0,,0.0,,,0.0,,,
COc1ccc(Oc2c(C)oc3c(CN(C)C)c(O)ccc3c2=O)cc1,CID5389705,,0.0,,,,,,,,,,,,,,,
CCOC(=O)Oc1ccc2c(=O)c(Oc3cccc(C)c3)coc2c1,CID728200,,,,,,0.0,,,,,,,,,,,
CCOc1ccccc1Oc1coc2cc(OC)ccc2c1=O,CID889459,,,,,,,,,0.0,,,,,,,,
CCOC(=O)Oc1ccc2c(=O)c(Oc3cc(C)cc(C)c3)coc2c1,CID1181159,,,,,,,,,,,,,,,0.0,,
CCc1cc2c(=O)c(Oc3ccccc3)c(C)oc2cc1O,CID5310628,,,0.0,,,,,0.0,,,,,,,,,
CCOc1ccccc1Oc1coc2cc(O)ccc2c1=O,CID5417210,,,,,,0.0,,0.0,,,,,,,,,
COc1cccc(Oc2c(C)oc3cc(OC(=O)N(C)C)ccc3c2=O)c1,CID1522903,,,,,,,,0.0,,,,,0.0,,,,
COc1ccc(Oc2coc3c(CN(C)C)c(O)ccc3c2=O)cc1,CID5310699,,,0.0,,,,,,,,,,,,,,
CCOc1ccc2c(=O)c(Oc3ccccc3OCC)coc2c1,CID890009,,,,,,,,,0.0,,,,,,,,
Cc1oc2cc(O)ccc2c(=O)c1Oc1ccccc1Br,CID5308950,0.0,,,,,,,,,,,,,,,,
CCOc1ccc(Oc2c(C)oc3cc(O)ccc3c2=O)cc1,CID5415951,,,,,,,,,,,,,,,0.0,,
CCc1cc2c(=O)c(Oc3ccccc3F)c(C)oc2c(CN(C)C)c1O,CID979757,,,0.0,,,,,,,0.0,,,0.0,,,,
Cc1oc2cc(OCC(=O)O)ccc2c(=O)c1Oc1ccccc1,CID679762,,,,,,,0.0,0.0,,,,,0.0,,,,
CCOc1ccccc1Oc1coc2cc(OCC(=O)O)ccc2c1=O,CID1179486,,,,,,,,,,,,,,,0.0,,
COC(=O)COc1ccc2c(=O)c(Oc3ccccc3)c(C)oc2c1,CID722777,,,,,,,0.0,0.0,,,,,,,,,
N#Cc1ccccc1CSc1ccccn1,CID892312,,,,,,,,,,,,,,,0.0,,
O=C(O)c1ccccc1CSc1ncccc1C(=O)O,CID2397339,,,,,,,,,,,,,,0.0,,,
O=C(O)c1cccnc1SCc1ccccc1,CID757779,,0.0,0.0,,,,,0.0,0.0,,,,,,,0.0,
Cc1cc(C)c(C#N)c(SCc2ccccc2C(=O)O)n1,CID655823,,,,,,,0.0,,0.0,,,0.0,,,0.0,0.0,
COc1ccc(CSc2nc(C)cc(C)c2C#N)cc1,CID975730,,,,,,,,,,,,,,,0.0,,
COC(=O)c1cccnc1SCc1ccccc1,CID902060,,,,,,,,,,,0.0,,,0.0,,,
CN(C)c1ccnc(SCc2ccccc2Cl)c1C#N,CID755898,,0.0,0.0,,0.0,,,,,,,,,,,,0.0
Cc1cc(C)c(C#N)c(SCc2ccccc2C)n1,CID912926,,,,,,,,,,,,,,,0.0,,
O=[N+]([O-])c1cccc(Cl)c1CSc1ccccn1,CID892492,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)c(C#N)c(SCc2ccccc2[N+](=O)[O-])n1,CID803824,,,,,,,,,,,,,,,0.0,,
O=C(O)c1ccc(CSc2ccccn2)cc1,CID685236,,,,,,,,,,,,,,0.0,,,
CC(=O)c1cc(C#N)c(SCc2ccccc2)nc1C,CID563832,,,,,,0.0,,,,,,,,,0.0,,
Cc1cc(C)c(C#N)c(SCc2ccc(C#N)cc2)n1,CID975513,,0.0,,,,,0.0,,,,0.0,,0.0,,0.0,,0.0
Cc1ccc(CSc2ncccc2C(=O)O)cc1,CID757777,,,,,,,,,0.0,,,0.0,,,,,
O=C(O)c1cccnc1SCc1ccccc1Cl,CID757412,,,,,,,,,,,,,,0.0,0.0,,
O=C(O)c1cccnc1SCc1cccc(Cl)c1,CID4136404,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1cc(C#N)c(SCc2ccc(C#N)cc2)nc1C,CID2999550,,,,,,,0.0,0.0,,,,,,,,0.0,
COC(=O)c1cc(C#N)c(SCc2ccccc2)nc1C,CID1471668,,,,,,,,,,,,0.0,,,0.0,,
Cc1cc(C)c(C#N)c(SCc2ccccc2)n1,CID698489,,,,,,,,,,,,,,,0.0,,
CC(=O)c1cc(C#N)c(SCc2ccc(F)cc2)nc1C,CID683835,,,,,,,,,,0.0,,,,,,,
COC(=O)C(Sc1nc(C)cc(C)c1C#N)c1ccccc1,CID2961957,,,,,,,,,,,,0.0,,,,,
COC(=O)c1ccccc1NC(=O)CSc1nnnn1-c1ccc(C)cc1C,CID1291441,0.0,0.0,,0.0,0.0,,,,,,0.0,,,,,0.0,
Cc1cccc(C)c1NC(=O)CSc1nnnn1-c1ccc(C(=O)O)cc1,CID1386085,,,,,,,,,,,,,,0.0,,,
COc1ccccc1NC(=O)CSc1nnnn1-c1ccc(C)cc1,CID2616947,,,,,,,,,,,0.0,,,,,,
COc1cc(NC(=O)CSc2nnnn2-c2ccccc2)cc(OC)c1OC,CID1259985,,,0.0,,,,,0.0,,,,,,,,0.0,
COc1cccc(-n2nnnc2SCC(=O)Nc2cccc(NC(C)=O)c2)c1,CID649509,,0.0,0.0,0.0,0.0,,,,,,,,,,0.0,0.0,
CSc1ccccc1-n1nnnc1SCC(=O)Nc1cc(C)ccc1C,CID2211422,,,,,,,,,,,,0.0,,,,,
COc1ccc(-n2nnnc2SCC(=O)Nc2cccc(NC(C)=O)c2)cc1OC,CID653934,,0.0,,,,,,0.0,,,0.0,,0.0,,0.0,0.0,0.0
CCOc1ccccc1NC(=O)CSc1nnnn1-c1ccc(C(=O)OC)cc1,CID653523,,0.0,,,,,,,,,0.0,,,,,,0.0
COc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2)cc1,CID864596,,,,,,0.0,,,,,0.0,,,,0.0,,
CSc1ccccc1-n1nnnc1SCC(=O)Nc1ccccc1C,CID1294921,,,,,,,,,0.0,,,,,0.0,,,
O=C(CSc1nnnn1-c1ccccc1)Nc1ccc(Cl)cc1,CID738629,0.0,,0.0,,0.0,,,,,,,,,,,,0.0
CCOc1ccccc1NC(=O)CSc1nnnn1-c1ccccc1,CID982774,,,,,,,,,,,0.0,,,,,,
COc1ccc(NC(=O)CSc2nnnn2-c2ccc(OC)cc2)cc1,CID2966663,,,,,,,,,,,0.0,,,,,,
COc1ccc(OC)c(-n2nnnc2SCC(=O)Nc2cc(C)ccc2OC)c1,CID1175453,,,,,,,,,,,0.0,,,,,,
COC(=O)c1ccc(-n2nnnc2SCC(=O)Nc2cc(OC)ccc2OC)cc1,CID644565,,0.0,,,,0.0,,0.0,0.0,,0.0,,0.0,,,0.0,
CCCCc1ccc(-n2nnnc2SCC(=O)Nc2cc(OC)c([N+](=O)[O-])cc2C)cc1,CID4780659,,,,,,,,,,,,,,0.0,0.0,,
CCN(CC)C(=O)c1ccc(NC(=O)CSc2nnnn2-c2cc(OC)ccc2OC)cc1,CID647246,0.0,,,,,,,,,,0.0,,,,,0.0,
COc1ccc(OC)c(NC(=O)CSc2nnnn2-c2ccccc2F)c1,CID645149,0.0,,,,0.0,,,,,0.0,,0.0,,,,0.0,
COC(=O)c1ccc(-n2nnnc2SCC(=O)Nc2ccccc2OC)cc1,CID648565,,0.0,,0.0,,0.0,,,,,,,,,,0.0,0.0
CSc1ccccc1NC(=O)CSc1nnnn1-c1ccccc1SC,CID1006914,,,,,0.0,,,,0.0,,,0.0,,,,,
CCOc1cc(C#N)c(NC(=O)CSc2nnnn2-c2ccc(OC)cc2)cc1OCC,CID1517696,0.0,0.0,,,,0.0,,0.0,,,0.0,,,,,0.0,
CC(Oc1ccc(C(=O)NC2CCCCC2)cc1)C(=O)O,CID2793097,,,,,,,,0.0,,,,,,,,0.0,
CCNS(=O)(=O)c1ccc(OC)c(C(=O)NC2CCCCC2)c1,CID851361,,,,,,,,,,,,,,0.0,,,
CCN(CC)S(=O)(=O)c1cccc(C(=O)NC2CCCCC2)c1,CID755850,0.0,,,0.0,,,,,,,,0.0,,0.0,,,0.0
CN(C(=O)c1ccccc1Cl)C1CCCCC1,CID306655,,0.0,,,,,,,,0.0,,,0.0,0.0,,,0.0
C=CCOc1ccc(C(=O)NC2CCCCC2)cc1,CID2300990,,,,,,,,,0.0,0.0,,,,,,,
CCC(=O)Nc1ccccc1C(=O)NC1CCCCC1,CID974692,,,,,,0.0,,,,0.0,,0.0,,,,,
CC(C)(C)C(=O)NC(=S)Nc1ccccc1C(=O)NC1CCCCC1,CID2235787,,,,,,,,,,,,,,0.0,,,
O=C(NC1CCCCC1)c1cc(Cl)ccc1[N+](=O)[O-],CID873781,,,,,,,,,,,,,,0.0,,,
CC(C)Oc1ccc(C(=O)NC2CCCCC2)cc1,CID836767,,,,,,,,,,0.0,,,,,,,
COc1cc(SC)ccc1C(=O)NC1CCCCC1,CID842497,,,0.0,0.0,0.0,0.0,0.0,,,0.0,,,,,,,
Cc1c(Br)cc(C(=O)NC2CCCCC2)c(C)c1C,CID892237,,,,,,,,,,,0.0,,,,,,
Cc1ccc(C(=O)NC2CCCCC2)cc1,CID228684,,,,,,0.0,,,0.0,0.0,,,,,,,
CCN(CC)S(=O)(=O)c1cc(C(=O)NC2CCCCC2)ccc1C,CID1379044,0.0,,0.0,,,,0.0,0.0,,,,,,,,,0.0
CC(C)C(=O)NC(=S)Nc1ccccc1C(=O)NC1CCCCC1,CID1792527,,,,,,,,,,,,,,0.0,,,
CCOC(=O)COc1ccc(C(=O)NC2CCCCC2)cc1,CID731945,,0.0,0.0,,,,,0.0,,,,,,,,,0.0
CCOc1cccc(C(=O)NC2CCCCC2)c1,CID2975882,,0.0,,,,,,0.0,0.0,,,0.0,,,,0.0,
CCCNC(=O)COC(=O)c1ccccc1C(=O)N(C)C1CCCCC1,CID2510258,,,,,,,,,,,,,,,0.0,,
O=C(O)CCC(=O)Nc1ccccc1C(=O)NC1CCCCC1,CID833660,0.0,,0.0,,,,,,0.0,,,,,,,,0.0
CS(=O)(=O)NCc1ccc(C(=O)NC2CCCCC2)cc1,CID715136,,0.0,,0.0,0.0,,0.0,0.0,,,0.0,,,,,0.0,
CS(=O)(=O)c1ccc(C(=O)NC2CCCCC2)cc1,CID2456779,,,,,,,,,,,,,,,0.0,,
CCN(C(=O)c1cc(Cl)ccc1OC)C1CCCCC1,CID885226,,,,,,,,,,,,,0.0,0.0,,0.0,0.0
C/C(Cl)=C/Cn1c(SCc2ccc(Cl)cc2)nc2c1c(=O)[nH]c(=O)n2C,CID1108930,0.0,,,,,,,,,,,,,,,,
CCCCn1c(SCc2ccc(Cl)cc2)nc2c1c(=O)[nH]c(=O)n2C,CID651471,0.0,0.0,0.0,0.0,,,,,,,0.0,0.0,,,,,0.0
CC(C)n1c(SCc2ccccc2F)nc2c1c(=O)n(C)c(=O)n2C,CID3653329,,0.0,,,0.0,,,,,0.0,0.0,,0.0,,,0.0,0.0
C=CCn1c(SCc2ccc(Cl)cc2)nc2c1c(=O)[nH]c(=O)n2C,CID653444,0.0,0.0,0.0,0.0,0.0,0.0,,,,,,,0.0,0.0,0.0,,0.0
CCOCCn1c(SCc2ccc(F)cc2)nc2c1c(=O)[nH]c(=O)n2C,CID3151071,,0.0,0.0,,0.0,,,0.0,,,,,,,,,
C/C=C/Cn1c(SCc2ccc(Cl)cc2)nc2c1c(=O)[nH]c(=O)n2C,CID5761205,,,,,,,0.0,,,,,,,,,,
CCOCCn1c(SCc2cccc(C)c2)nc2c1c(=O)[nH]c(=O)n2C,CID3151062,,0.0,0.0,0.0,,0.0,0.0,0.0,0.0,,,0.0,,,,0.0,0.0
CCOCCn1c(SCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,CID3151061,,0.0,,,,,,,,,,,,,,0.0,
CC(C)n1c(SCc2ccc(Cl)cc2)nc2c1c(=O)[nH]c(=O)n2C,CID645387,0.0,,0.0,0.0,0.0,0.0,,,,,0.0,0.0,0.0,,,,0.0
CC(C)CCn1c(SCc2ccc(Cl)cc2)nc2c1c(=O)[nH]c(=O)n2C,CID658140,0.0,0.0,,0.0,,,0.0,,,,,,0.0,,,,0.0
CCCn1c(SCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,CID561960,0.0,0.0,,,,,0.0,,0.0,,0.0,,0.0,,,,
COCCn1c(SCc2c(F)cccc2Cl)nc2c1c(=O)[nH]c(=O)n2C,CID660377,0.0,,,0.0,,,,,,,0.0,,,,,,0.0
CCCn1c(SCc2ccc(Cl)cc2)nc2c1c(=O)[nH]c(=O)n2C,CID654875,0.0,0.0,,0.0,0.0,,,,,0.0,,0.0,,,0.0,,0.0
C/C=C/Cn1c(SCc2ccc(C)cc2)nc2c1c(=O)[nH]c(=O)n2C,CID5761206,,0.0,,,,,,,,,,,,,,,
C/C=C/Cn1c(SCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,CID5761203,,,,,,0.0,,,,,,,0.0,,,,
Cc1ccc(CSc2nc3c(c(=O)[nH]c(=O)n3C)n2CCC(C)C)cc1,CID988235,0.0,,0.0,,,0.0,,,,0.0,0.0,,,,,0.0,0.0
CCOCCn1c(SCc2c(F)cccc2Cl)nc2c1c(=O)[nH]c(=O)n2C,CID660314,0.0,0.0,,0.0,0.0,,,,,,0.0,0.0,0.0,,,,
C=CCn1c(SCc2ccc(F)cc2)nc2c1c(=O)[nH]c(=O)n2C,CID700079,0.0,,,,0.0,0.0,,,,0.0,,,,,,0.0,
COCCn1c(SCc2ccccc2Cl)nc2c1c(=O)[nH]c(=O)n2C,CID646416,0.0,0.0,,,0.0,,,,,,,0.0,,,,,
CCOCCn1c(SCc2ccc(C)cc2)nc2c1c(=O)[nH]c(=O)n2C,CID3151063,,,,0.0,,0.0,0.0,0.0,0.0,,,,,,,0.0,0.0
CCCCCn1c(SCc2cccc(C)c2)nc2c1c(=O)[nH]c(=O)n2C,CID3771553,0.0,,,,,,,,,,,,,,,0.0,
CCOC(=O)c1nnn(-c2ccc(OC)cc2)c1N,CID821527,,,,,,,,,0.0,,,,,0.0,0.0,,
CC(C)(O)c1nnn(-c2ccccc2)c1C(F)(F)F,CID652801,,,,0.0,0.0,,,,0.0,0.0,,,,,,0.0,
OCc1nnn(-c2cccc(C(F)(F)F)c2)c1CO,CID715064,,,,,,,,,0.0,,,,,,,0.0,
CCCCNC(=O)c1nnn(-c2ccccc2)c1N,CID3236958,,0.0,,0.0,,,,0.0,0.0,,,,,,,0.0,
CC(C)(C)c1cnnn1-c1ccc(C(=O)CCl)cc1,CID2307367,,,,,,,,,,0.0,,,,,,,
COC(=O)Cc1c(C(=O)OC)nnn1-c1ccc(OC)cc1,CID2768557,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1nnn(-c2ccccc2)c1C,CID1228916,,,,,,,,,,,,,,,0.0,,
CC(=O)c1nnn(-c2ccc([N+](=O)[O-])cc2C)c1C,CID539714,,,,,,,,,,,,,,,0.0,,
CC(C)(C)C(=O)OCc1cn(-c2ccc(Cl)cc2)nn1,CID1475818,,,,,,0.0,,,,,,,,,,,
CC(C)CC(=O)OCc1cn(-c2ccccc2)nn1,CID1478622,,,,,,0.0,,,,,,,,0.0,,,
CC(C)(C)c1cnnn1-c1ccc(C=O)cc1,CID781397,,,,,,,,,,,,,,,0.0,,
COC(=O)c1nnn(-c2ccccc2)c1N,CID772520,,0.0,,,,,0.0,,0.0,,,,0.0,0.0,,,
COCc1c(C(=O)OC)nnn1-c1ccccc1,CID2748759,,,,,,,,,,0.0,,0.0,,,,,
CC(=O)c1ccc(-n2nncc2C)cc1,CID747014,,0.0,,,,,,,,,0.0,,,,,,
CNC(=O)c1nnn(-c2ccccc2)c1C(=O)NC,CID665070,,0.0,,,,,,,,,,0.0,0.0,,,,
CCNC(=O)OCc1cn(-c2ccc(Cl)cc2)nn1,CID1475807,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1nnn(-c2ccccc2C#N)c1C,CID718139,,0.0,0.0,,,,0.0,,,,,,0.0,,,,
CC(=O)c1ccc(-n2nncc2C(C)(C)C)cc1,CID747469,,0.0,0.0,,,0.0,0.0,,,0.0,,,0.0,,,,
CC(C)(C)c1cnnn1-c1ccc([N+](=O)[O-])cc1,CID747467,,,,,,,,,,,,,,0.0,,,
OCc1cn(-c2ccc(Cl)cc2)nn1,CID2763878,,,,,,,,,,,,,,,0.0,,
O/N=C/c1cn(-c2ccc(Cl)cc2)nn1,CID1475810,,,,,,,,,,,,,,,0.0,,
CCCOc1ccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc1,CID5013601,,,,,0.0,0.0,0.0,,,,,,,,0.0,,
O=C1c2oc3ccccc3c(=O)c2C(c2cccc(O)c2)N1CCCN1CCOCC1,CID3601838,,,,,,,,,,,,,0.0,,,,
COc1cccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CCCN2CCOCC2)c1OC,CID663889,,,0.0,,,,,,0.0,,,,0.0,,,,
C=CCOc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CCCN2CCOCC2)cc1,CID663632,,,,,0.0,0.0,,,0.0,,,,,,,,
CC(C)Oc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CCCN2CCOCC2)cc1,CID663700,,,0.0,,0.0,,,,0.0,,,,,,,,
COc1cccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCN2CCOCC2)c1,CID5178252,,,0.0,,,,0.0,,,,,,,,,,
C=CCOc1cccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCN2CCOCC2)c1,CID5178250,,,,,,,,0.0,,,,,0.0,,,,
CCOc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CCCN2CCOCC2)cc1,CID664179,,,,,0.0,,0.0,,0.0,0.0,0.0,,,,,,
COc1cccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CCCN2CCOCC2)c1,CID4029817,,,,,0.0,,,0.0,,,,,,,,,
CCOc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CCCN2CCOCC2)cc1OCC,CID4293291,,0.0,,,,,,0.0,,,,,,,0.0,,
O=C1c2oc3ccc(F)cc3c(=O)c2C(c2cccc(O)c2)N1CCCN1CCOCC1,CID4293299,,,0.0,,,,0.0,,,,,,,,,,
CC(C)CCOc1cccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CCCN2CCOCC2)c1,CID4293289,,,,,0.0,,,,,,,,,,,,
Cc1cc2oc3c(c(=O)c2cc1C)C(c1ccc(C(C)C)cc1)N(CCCN1CCOCC1)C3=O,CID4998561,,,,,0.0,,,,,,,,,,,,
CCCOc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CCCN2CCOCC2)cc1,CID664014,,,0.0,0.0,0.0,,,0.0,,,,,,,,,0.0
Cc1ccc(C2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc1,CID5058401,,,,,0.0,,,,,,,,,,,0.0,
Cc1ccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc1,CID4987317,,,,,0.0,,,,,,,,0.0,,,,
Cc1cc2oc3c(c(=O)c2cc1C)C(c1ccc(F)cc1)N(CCCN1CCOCC1)C3=O,CID4998563,,,,,,,,0.0,0.0,,,,,,,,
Cc1ccc2oc3c(c(=O)c2c1)C(c1ccc(F)cc1)N(CCCN1CCOCC1)C3=O,CID5058399,,0.0,0.0,0.0,,,,0.0,,,,,,,,,0.0
COC(=O)c1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CCCN2CCOCC2)cc1,CID4270310,,,,,,,,0.0,,,,,,,,,
COc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CCCN2CCOCC2)cc1,CID663761,,,0.0,,0.0,,0.0,,0.0,0.0,,,,,,,0.0
CCOc1ccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc1,CID5082656,,,,,0.0,,,,,,,,,,,,
Cc1csc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1,CID3132915,,,,,,,,,,,,,,,0.0,,
CCOC(=O)Cc1csc(NS(=O)(=O)c2ccc(F)cc2)n1,CID717529,,,,,,0.0,,,,,,,,,,,
CS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,CID653937,,,,,0.0,,,,,,,,,,,,
CCC(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,CID1010637,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1sc(NS(=O)(=O)c2ccccc2)nc1C,CID921743,,,,,,,,,0.0,0.0,0.0,0.0,,0.0,,,
Cc1nc(NS(=O)(=O)c2ccccc2)sc1C(C)(C)C,CID904186,,,,,,,,,,,,,,0.0,,,
O=C(O)CCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,CID5315,,,,,0.0,,,,,,,,,,,,
CCOC(=O)c1sc(NS(=O)(=O)c2cc(C)ccc2C)nc1C,CID1132234,,,,,,,,,0.0,0.0,0.0,,,0.0,,,
O=S(=O)(Nc1nccs1)c1ccc(Cl)cc1,CID306826,,,,,,,,,0.0,,,,,0.0,0.0,,
CCOc1ccc(S(=O)(=O)Nc2nccs2)cc1,CID868642,,,,,,,,,,,,,,0.0,0.0,,
CCOC(=O)Cc1csc(NS(=O)(=O)c2ccccc2)n1,CID717505,,,,,,0.0,,,,,,,,,,,
COc1ccc(S(=O)(=O)Nc2nc(C(F)(F)F)cs2)cc1,CID656127,,,,,0.0,,,,,,,,,,,,
CCOC(=O)c1sc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)nc1C,CID649325,,,,,0.0,,0.0,,,,,,0.0,,,,
Cc1nc(NS(=O)(=O)c2ccccc2)sc1NC(=O)OCCN(C)C,CID660783,0.0,0.0,,,0.0,,,,0.0,0.0,,,,,,,0.0
CC(=O)c1sc(NS(=O)(=O)c2ccc(C)cc2)nc1C,CID709425,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1sc(NS(=O)(=O)c2ccccc2Cl)nc1C,CID1132233,,,,,,,,,0.0,,,,,,,,
CCOC(=O)Nc1sc(NS(=O)(=O)c2ccc(C)cc2)nc1C,CID1158230,,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1sc(NS(=O)(=O)c2ccc(C)cc2)nc1C,CID742836,,,,,,,,,0.0,,,,,,,,
Cc1nc(NS(=O)(=O)c2ccccc2)sc1NC(=O)OC(C)C,CID660021,0.0,,,,0.0,,0.0,,,,,,,,,,
CCOC(=O)Nc1sc(NS(=O)(=O)c2ccccc2)nc1C,CID2907569,0.0,,0.0,0.0,0.0,0.0,0.0,,,0.0,,,,0.0,,,
CCOC(=O)C(NC(C)=O)(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C(F)(F)F,CID658138,,,,,0.0,,,,,,,,,,,,
CCn1cnc2scc(-c3ccc(C)c(C)c3)c2c1=O,CID2792004,,,,,,,,,,,,,,,0.0,,
C=CCn1cnc2scc(-c3ccc(C)c(C)c3)c2c1=O,CID2792009,,,,,,,,,,,,,,0.0,0.0,,
C=CCn1cnc2scc(-c3ccc(C)cc3)c2c1=O,CID709155,,,,,,0.0,,,,,,0.0,,,,,
Cc1ccc(-c2csc3ncn(CC#N)c(=O)c23)cc1,CID709158,,,,,,,,,,,,,,,0.0,,
O=C(O)CSCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1,CID2414076,,,,,,,,,,,,,,0.0,,,
O=c1[nH]cnc2scc(-c3ccc(F)cc3)c12,CID727600,,,0.0,,,,,,,,,,,0.0,,,
CCc1nc2scc(-c3ccccc3)c2c(=O)n1N,CID723149,,0.0,,,,,0.0,,,,0.0,,,,,,0.0
COc1cccc(-c2csc3nc[nH]c(=O)c23)c1,CID621044,,,0.0,0.0,0.0,,0.0,0.0,,0.0,,,,,,0.0,0.0
Cc1nc2scc(-c3ccccc3)c2c(=O)n1N,CID206184,,,,,,,,,,,,,0.0,,,,
CCn1cnc2scc(-c3ccccc3)c2c1=O,CID731330,,,0.0,,,,0.0,,,0.0,,0.0,,,,,
CCCc1nc2scc(-c3ccccc3)c2c(=O)n1N,CID660486,,0.0,,,,,,,,,,,,,,,
C=CCn1cnc2scc(-c3ccccc3)c2c1=O,CID731336,,0.0,,,,0.0,0.0,,,,,0.0,0.0,,,,
CN(C)/C=N/n1cnc2scc(-c3ccc(Cl)cc3)c2c1=O,CID5344086,,,,,,0.0,,,,,,,,,,,
O=c1[nH]cnc2scc(-c3ccc(Br)cc3)c12,CID727637,,,,,,,,,,,,,,0.0,,,
Cc1nc2scc(-c3ccc(C(C)(C)C)cc3)c2c(=O)n1N,CID703953,,,,,,,,,,,,,,,0.0,,
CCCc1nc2scc(-c3ccc(C)cc3)c2c(=O)n1N,CID804927,,,,,,,,,,,0.0,,,,,,
CSCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1,CID2452325,,,,,,,,,,,,,,0.0,,,
CCCn1cnc2scc(-c3ccc(C)cc3)c2c1=O,CID709146,,,,,,,,,,,,,,0.0,,,
O=c1[nH]cnc2scc(-c3ccccc3)c12,CID215639,,,,,,,,,,,,,,,0.0,,
CCc1ccc(-c2csc3ncn(CC)c(=O)c23)cc1,CID724924,,,,,,,,,,,,,,0.0,,,
C=CCn1cnc2scc(-c3ccc(CC)cc3)c2c1=O,CID724928,,,,,,,,,,,,,,,0.0,,
CCCN(CCC)C1Sc2ccc(C(=O)OC)cc2NC1=O,CID4083996,,,,,,,,,,,,,,,0.0,,
CCN(CC)CCCNC(=O)CC1Sc2ccccc2NC1=O,CID3244815,,,,0.0,,,,,,,,,0.0,,,,
CCOC(=O)CC1Sc2ccccc2NC1=O,CID2778792,,,,,0.0,,0.0,,,,,,,,,,
COCCNC(=O)Nc1ccc2c(c1)N(C)C(=O)CS2,CID3241320,,0.0,0.0,,,,,,,,,,,,,,
CCC1Sc2ccccc2N(CC(=O)NCCC(C)C)C1=O,CID3237413,,,,0.0,,,0.0,,0.0,,,0.0,0.0,,,,
CCOC(=O)CN1C(=O)CSc2ccccc21,CID3245459,,,,,0.0,,,,,,,,0.0,,,,
CCN1C(=O)CSc2ccc(C(=O)OC)cc21,CID1490450,,,,,0.0,,0.0,,,,0.0,,,,,0.0,
CCOC(=O)C1(N(CC)CC)Sc2cc(C)ccc2NC1=O,CID619280,,,,,,,0.0,,,,,,,,,,
CCCNC(=O)CC1Sc2ccccc2NC1=O,CID2972223,,0.0,0.0,,0.0,,0.0,,,,,,,,,,
CN1C(=O)CSc2ccc(C(=O)O)cc21,CID1474969,,,,,,,,,0.0,0.0,,0.0,,,,,
CCC(C)NC(=O)CN1C(=O)C(CC)Sc2ccccc21,CID3424085,,,,,,,,,,,,,,,0.0,,
CCOc1cc2c(cc1C(C)(C)C)NC(=O)CS2,CID2049127,,,,0.0,0.0,,,,,,,,,,,,
COC(=O)CC1Sc2ccccc2NC1=O,CID651862,,,,0.0,0.0,,,,,,0.0,,,0.0,,,
CCCCNC(=O)c1ccc2c(c1)N(CC)C(=O)CS2,CID3244092,,,,,0.0,,,0.0,,,0.0,,,,,0.0,
C=CCN1C(=O)CSc2ccc(C(=O)OCC)cc21,CID3244042,,,,,,,,0.0,,,,,,,,,
COC(=O)C(C)C1Sc2ccccc2NC1=O,CID342284,,,,,0.0,,,,,,,,,,,,
CC1Sc2ccc(C(=O)O)cc2NC1=O,CID3507590,,,,,,,,,,,,0.0,,,,,
COCCCNC(=O)Nc1ccc2c(c1)N(C)C(=O)CS2,CID9550729,,,,,,,,,,,0.0,,,,,,
CCOCCCNC(=O)CN1C(=O)CSc2ccccc21,CID3660986,,,0.0,,,,,0.0,,,,,,,,,
O=C(O)CC1Sc2ccccc2NC1=O,CID234937,,,,,0.0,,,,,,0.0,,,,,,0.0
COCCNC(=O)c1ccc2c(c1)NC(=O)CS2,CID3237736,,,0.0,,,,,,,,,,,,,,
Cc1ccc2nc(-c3ccccc3)cc(C(=O)O)c2c1,CID698707,0.0,,,,,,,,,,,,0.0,0.0,,,
CCNC(=O)COC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12,CID2091261,,,,,,0.0,,,0.0,0.0,0.0,,,,,,
CCOc1ccc(-c2cc(C(=O)O)c3ccccc3n2)c(OCC)c1,CID753136,,,0.0,,,,,,,,,,,,0.0,,0.0
CSc1c(-c2ccccc2)nc2ccccc2c1C(=O)O,CID291267,,,,,,,,,,,,0.0,,,,,
CC(C)(C)NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12,CID2887057,,,,,,0.0,,,,,,,,,,,
COc1ccc(-c2cc(C(=O)OCC(=O)N(C(C)C)C(C)C)c3ccccc3n2)cc1,CID2094222,,,,,,0.0,,,,0.0,0.0,,,,,,
CCOc1ccc(-c2cc(C(=O)O)c3ccccc3n2)cc1,CID673734,,,,,,,,,0.0,,,,,0.0,,,
O=C(O)c1cc(-c2ccccc2)nc2ccccc12,CID8593,0.0,,,,,,0.0,,0.0,,,,,,,,
COc1ccc(-c2cc(C(=O)O)c3ccccc3n2)c(OC)c1,CID742471,,,,,,,0.0,,0.0,,0.0,0.0,,,,0.0,
CCSc1c(-c2ccccc2)nc2c(C)cccc2c1C(=O)O,CID1227055,,,,,,0.0,,,,,,0.0,,,,,
CCN(CC)C(=O)COC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12,CID2105177,,,,,,,,,0.0,,0.0,,,,,,
COc1ccc(-c2ccc3ccccc3n2)cc1OC,CID2817404,,,,,,,,,,,,,,0.0,,,
Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)O,CID673710,,,,,,,,0.0,0.0,,,0.0,,,,,
Cc1ccc([N+](=O)[O-])cc1-c1ccc2cccc(C)c2n1,CID624046,,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2cc(C(=O)OCC(=O)N(C)C)c3ccccc3n2)cc1,CID2105146,0.0,,,,,,,,0.0,,,,0.0,,0.0,,
CSc1c(-c2ccccc2)nc2ccc(Cl)cc2c1C(=O)O,CID1471492,,,,,,,,,,,,,,0.0,,,
COc1ccc2nc(-c3ccccc3)cc(OC)c2c1,CID826237,,,,,,,,,,,,,,0.0,,,
CCOc1ccc2nc(-c3ccc(OC)c(OC)c3)cc(C(=O)O)c2c1,CID651645,0.0,,,,,,,,,0.0,,,,,,,
COc1ccc2c(OC)cc(-c3ccccc3)nc2c1,CID826242,,,,,,,,,0.0,0.0,0.0,,,0.0,,,
COc1cc(-c2ccccc2)nc2ccccc12,CID826247,,,,,,,,,0.0,0.0,,,,,,,
CCNC(=S)NNC(=O)c1cc(-c2cccc(OC)c2)nc2ccccc12,CID1767363,,,,,,,,,,,,,,0.0,,,
CCNC(=O)c1nc[nH]c1C(=O)NCC,CID65549,,0.0,,0.0,,,,,,,,0.0,0.0,,,,
Cn1ccnc1SCCC#N,CID658702,,,,0.0,,,,,,,,,,,,,
Cc1nccn1CC(=O)O,CID650088,,,,,,,0.0,0.0,,0.0,,,,,,,
O=C(/C=N/O)NCCCn1ccnc1,CID6400932,,0.0,,,,,,,,,,,,,,,
O=C(NCCCn1ccnc1)NC(C(F)(F)F)C(F)(F)F,CID2969946,,,,,,,,,0.0,,,,,,,,
CCCCc1nc(C#N)c(C#N)[nH]1,CID5260591,,,,,,,,,,,,,,0.0,,,
CC(=O)NC(Cc1cnc[nH]1)C(=O)O,CID273260,,,,0.0,,,,,,,,,,,,,
CC(NC(=O)NCCCn1ccnc1)(C(F)(F)F)C(F)(F)F,CID659695,,,,,,,,,0.0,,,,,,,,
CCS(=O)(=O)CCn1c([N+](=O)[O-])cnc1C,CID5479,,,,0.0,,,,,,0.0,,,,,,,
CCOC(=O)c1[nH]cnc1C(=O)NC(C)C,CID846245,,,,,,,,,0.0,,,,,,,,
CNC(=O)c1nc[nH]c1C(=O)NC,CID101504,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1nc(N)c(C(=O)OCC)[nH]1,CID660541,,0.0,,,,,,,,,,,,0.0,,,
CC(=O)Nc1cn(C(C)=O)c(C)n1,CID566150,,,,,,,0.0,,0.0,,,,,,,,
C/C(NCCCn1ccnc1)=C(\C#N)C(N)=O,CID657740,,,,,,,,,,,,,0.0,,,,
CNc1c([N+](=O)[O-])ncn1C,CID290685,,,,,,,,,0.0,,0.0,,,,,,
Cc1nc(SCC(O)CCl)c([N+](=O)[O-])[nH]1,CID3100202,,,,,,,,,,,,0.0,,,,,
Cc1ncc([N+](=O)[O-])n1CCO,CID4173,0.0,,,,,,0.0,,,,,,,,,,
CCN(CC)c1c([N+](=O)[O-])ncn1C,CID535815,,,,,,,,,,,,0.0,,,,,
CCC(C)C(NC(=O)NCCCn1ccnc1)C(=O)OC,CID12005776,,,,,,,,,,,,,,0.0,,,
O=C(O)CCCCOn1ccnc1,CID3613715,,,,,,,,,,,,,,,0.0,,
CCC(NC(=O)NCCCn1ccnc1)(C(F)(F)F)C(F)(F)F,CID659593,,,,,,,,,0.0,,,,,,,,
Cc1cccc(C(CC(=O)O)n2cccc2)c1,CID3806639,,,,,,,,,,,,,,,0.0,,
O=C(O)CC(c1ccc(Cl)cc1)n1cccc1,CID3245609,,,,0.0,,,,,,,,,,,,,
CCOC(=O)c1c(C=O)c(C)n(Cc2ccc(C)cc2)c1C,CID9550647,,,,,,,,,,,,,,,0.0,,
O=Cc1cccn1Cc1ccccc1[N+](=O)[O-],CID736217,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1cc(C)n(Cc2ccccc2)c1C,CID661090,,,,,,0.0,,,0.0,,0.0,,0.0,0.0,,0.0,
CC(=O)c1c(C(C)=O)c(C)n(Cc2ccccc2)c1C,CID3858776,0.0,,,,,,,,,0.0,,,,,,0.0,
O=C(O)c1cccn1Cc1ccccc1F,CID3245457,,0.0,,,,,0.0,0.0,,,,,0.0,,,,
CCOC(=O)c1c(C)c(C)n(Cc2cccc(OC)c2OC)c1C,CID915889,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1c(C=O)c(C)n(Cc2ccccc2)c1C,CID5236932,,,,,,0.0,,,,,,,,,,,
Cc1c(C=O)c(C=O)c(C)n1Cc1ccccc1,CID800760,,,,,,,,,0.0,0.0,,,,,,,
Cc1ccc(C)n1Cc1ccc(C(=O)O)cc1,CID659752,,,,,,,,,0.0,,,,,,,,
CCC(C)(C)NC(=O)CC(c1ccc(OC)cc1)n1cccc1,CID3244665,,,,0.0,0.0,,0.0,,,,,,,,,,0.0
O=C(O)CC(c1ccccc1)n1cccc1,CID3238289,,,0.0,,,,0.0,,0.0,,0.0,,0.0,,,0.0,
COc1ccc(C(CC(=O)NC(C)(C)C)n2cccc2)cc1,CID3243414,,,,0.0,0.0,,,,,,,,,,,0.0,0.0
CCOC(=O)c1c(C=O)c(C)n(Cc2ccc(Cl)cc2)c1C,CID9550530,,,,,,,,,,,0.0,,,,,,
CCOC(=O)c1cc(C)n(Cc2cccc(OC)c2OC)c1C,CID658742,,0.0,,0.0,,,,,,,0.0,0.0,,,,,
COC(=O)CC(c1ccc(C(C)C)cc1)n1cccc1,CID2766044,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1c(C=O)c(C)n(Cc2ccccc2Cl)c1C,CID9550578,,,,,,,,,,,,,,,0.0,,
NC(=O)c1cccn1Cc1ccccc1Cl,CID3239748,,0.0,0.0,,,,,,,,,,,,0.0,,0.0
CC(=O)c1c(C(C)=O)c(C)n(Cc2ccc(Cl)cc2)c1C,CID729793,,,,,,,,,,0.0,,,,0.0,,,
CCC(C)NC(=O)CC(c1ccc(OC)cc1)n1cccc1,CID3243300,,,0.0,,,0.0,,0.0,,,,,,,,0.0,0.0
COc1cc(SC)ccc1C(=O)Nc1ccc2c(c1)OCO2,CID971240,,,,,,,,,,,,,,0.0,,,
O=C(Nc1ccc2c(c1)OCO2)c1cccc(Cl)c1,CID823563,,,0.0,,,,,,,0.0,,,,,,0.0,
COc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)OCO2,CID801509,,,0.0,,,,0.0,,,,,,0.0,0.0,,0.0,0.0
CC(C)C(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)OCO3)c1,CID649011,,0.0,,0.0,,,,,0.0,,,0.0,0.0,,,,0.0
CC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1,CID1091094,0.0,,0.0,,,,,,0.0,,,0.0,,,,,0.0
CCCN(CCC)S(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)OCO3)c1,CID2582397,,,,,,0.0,,0.0,,,0.0,,0.0,,0.0,,
COc1ccccc1C(=O)Nc1ccc2c(c1)OCO2,CID673511,,,,,,,,,0.0,0.0,0.0,,,,0.0,,
CCC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1,CID3240414,,,,0.0,,,,0.0,0.0,,,,,,,0.0,0.0
CCOc1cc(C(=O)Nc2ccc3c(c2)OCO3)ccc1OC(F)F,CID2582422,,,,,,,0.0,,,,,,,,,,0.0
CN(c1ccccc1C(=O)Nc1ccc2c(c1)OCO2)S(C)(=O)=O,CID958616,,,0.0,,,,,,,,,,,,,,
O=C(Nc1ccc2c(c1)OCO2)c1c(F)cccc1F,CID1247461,,,,,,,,,,,,,,,,,0.0
CCC(CC)C(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)OCO3)c1,CID2218419,,0.0,,0.0,,,,,0.0,,0.0,0.0,,,0.0,,0.0
CSc1ccccc1C(=O)Nc1ccc2c(c1)OCO2,CID2227233,,,,,,,,,,,,,,0.0,,,
CCCc1cc2c(cc1NC(=O)c1ccc(Br)cc1)OCO2,CID992681,,,,,,,,,,,,0.0,,,,,
CCOc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1OCC,CID976089,,,,,,,,,,0.0,,,,,,,
CCCCC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1,CID2218157,0.0,,,,,,,0.0,0.0,,,0.0,,,,,0.0
O=C(Nc1ccc2c(c1)OCO2)c1cccc(F)c1,CID740876,,,,,,,,0.0,,,,0.0,0.0,,,,
Cc1ccccc1C(=O)Nc1ccc2c(c1)OCO2,CID652863,,,,,,,,,0.0,0.0,,,,,,,
COc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1OC,CID799774,,,0.0,0.0,,,,0.0,,,,,,,0.0,,
O=C(Nc1ccc2c(c1)OCO2)c1c(F)c(F)c(F)c(F)c1F,CID2249842,,,,,,,,,0.0,,,,,,,,
CCCCOc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1,CID2233891,,,,,,,,,,,,,,,0.0,,
COc1ccc(Cl)cc1C(=O)Nc1ccccc1N1CCN(C(=O)C(C)C)CC1,CID647132,,,,,,,,,,,,,0.0,,,0.0,0.0
CS(=O)(=O)N1CCN(c2ccccc2NC(=O)c2ccc(Cl)cc2)CC1,CID1254419,0.0,,,0.0,0.0,,,,,,,0.0,,,0.0,,0.0
COc1ccc(Cl)cc1C(=O)Nc1ccccc1N1CCN(C)CC1,CID1247913,0.0,,0.0,,,,0.0,,,,,,,,,,
COc1c(F)c(F)c(C(=O)Nc2ccccc2N2CCN(C(C)=O)CC2)c(F)c1F,CID2979895,,,,,0.0,,,,0.0,,,,,,,,0.0
COc1cc(C(=O)Nc2ccccc2N2CCN(S(C)(=O)=O)CC2)cc(OC)c1OC,CID1954059,,,,0.0,0.0,,0.0,,,,0.0,,,,,0.0,0.0
CN1CCN(c2ccc(Cl)cc2NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1,CID2670170,0.0,,,0.0,0.0,,,,,,0.0,,,,,,0.0
Cc1ccc(C(=O)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)cc1,CID648410,0.0,0.0,0.0,,,0.0,,,,0.0,,,,0.0,,0.0,0.0
CN1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1,CID2125110,,,,,,,,,,,,0.0,,,,,
CCOc1cc(C(=O)Nc2ccccc2N2CCN(S(C)(=O)=O)CC2)cc(OCC)c1OCC,CID2963729,,,,0.0,0.0,,,0.0,,0.0,0.0,,,,,,
CC(=O)N1CCN(c2ccccc2NC(=O)c2cc(Br)ccc2Cl)CC1,CID1259192,,,,,,,0.0,,,,,,,,,,0.0
CCN1CCN(c2c(Cl)cccc2NC(=O)c2ccc([N+](=O)[O-])cc2)CC1,CID1254434,,,,,,,,,,,,,,,0.0,,
COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccccc1N1CCN(C(C)=O)CC1,CID2238974,0.0,,,,,,0.0,,0.0,,,0.0,0.0,,,,
COc1c(F)c(F)c(C(=O)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)c(F)c1F,CID2976923,,,,,,,,,0.0,,,,,,,,
CCC(=O)N1CCN(c2ccccc2NC(=O)c2cccc(C)c2)CC1,CID1313458,0.0,,,,,,,,,0.0,0.0,0.0,,,,,0.0
CN1CCN(c2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2)CC1,CID934962,,,,,,,,,,,,,,0.0,,,
CN1CCN(c2ccc([N+](=O)[O-])cc2NC(=O)c2ccccc2Cl)CC1,CID2965974,,,,,,0.0,,,,,,0.0,,,,,
CC(C)C(=O)N1CCN(c2ccccc2NC(=O)c2ccc(C#N)cc2F)CC1,CID1091621,,,,,,,,,,,,,,,0.0,,
CCOc1cccc(C(=O)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)c1,CID647588,0.0,,,,0.0,,,,0.0,,,0.0,0.0,,,,0.0
Cc1ccc(C(=O)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)cc1C,CID652202,0.0,,,,,,,0.0,,,,,0.0,,0.0,0.0,0.0
COc1ccccc1C(=O)Nc1ccccc1N1CCN(S(C)(=O)=O)CC1,CID1254523,0.0,,0.0,,0.0,,,0.0,,,0.0,,,,,0.0,0.0
CN1CCN(c2ccccc2NC(=O)c2cc(Br)ccc2Cl)CC1,CID1265599,0.0,,,,,,0.0,,,,,,,,,,0.0
S=C(Nc1ccccc1)N1CCCCC1,CID698365,,,,,,,,,,,,,,,0.0,,
CC(=O)c1ccc(NC(=S)N2CCC(O)CC2)cc1,CID972315,,,,,,,,,,,,,,,0.0,,
CCOc1ccccc1NC(=S)N1CCC(NC(=O)C(C)(C)C)CC1,CID3218681,,,,,,,,,,,,,,,0.0,,
CCOC(=O)C1CCCN(C(=S)Nc2ccc(OC)cc2)C1,CID5149352,,,,,,,,,,,,,,,0.0,,
Cc1cccc(NC(=S)N2CCC(O)CC2)c1C,CID972502,,,,,,,,,,,,,,,0.0,,
CCOC(=O)C1CCN(C(=S)Nc2cc(OC)c(OC)cc2C(=O)OC)CC1,CID2974628,,,,,,,,,,0.0,,,,,,,
COC(=O)c1ccc(C(=O)OC)c(NC(=S)N2CCCCC2C)c1,CID6621366,,,,,,,,,,,,,,,0.0,,
CCOC(=O)C1CCN(C(=S)Nc2ccc(Cl)cc2C)CC1,CID701830,,,,,,,,,,,,,,0.0,,,
COC(=O)c1cccc(NC(=S)N2CCCCC2)c1,CID726285,,,,,,,,,,,,,,,0.0,,
CC(=O)c1ccc(NC(=S)N2CCCC(CO)C2)cc1,CID4034196,,,,,,,,,,,,,,,0.0,,
COC(=O)c1cc(OC)c(OC)cc1NC(=S)N1CCC(C(N)=O)CC1,CID1253719,,,,,,,,,0.0,,,,,,,,
CCOC(=O)C1CCN(C(=S)Nc2cccc(C)c2C)CC1,CID972763,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C1CCN(C(=S)Nc2cccc(C)c2)CC1,CID694121,,,,,,,,,,,,0.0,,,,,
CN(C)S(=O)(=O)c1cccc(NC(=S)N2CCCCC2CO)c1,CID3976202,,,,,,,,,,,,,,,0.0,,
COC(=O)c1ccc(NC(=S)N2CCC(C(N)=O)CC2)cc1,CID972662,,,,,,,,,,,,,,0.0,,,
Fc1cccc(NC(=S)N2CCCCC2)c1,CID886447,,,,,,0.0,,,,,,,,,,,
CCOC(=O)C1CCN(C(=S)Nc2cc(C)ccc2C)CC1,CID891954,,,,,,,,,,,,,,0.0,0.0,,
CCOc1ccc(NC(=S)N2CCC(C(N)=O)CC2)cc1,CID839617,,,,,,,,,,,,,,0.0,,,
CC(=O)c1ccc(NC(=S)N2C(C)CCCC2C)cc1,CID2954670,,,,,,0.0,,,,,,0.0,,,,,
S=C(Nc1ccccc1Cl)N1CCCCC1,CID882061,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccc(C(=O)OC)c(NC(=S)N2CCC(C(N)=O)CC2)c1,CID1975115,,,,,,,,,,,,,,0.0,0.0,,
CC(=O)Nc1cccc(C(=O)OCc2ccccc2)c1,CID2953717,,,,,,,0.0,0.0,0.0,0.0,0.0,,,,,0.0,0.0
COC(=O)c1ccc(COC(=O)c2ccc(N(C)C)cc2)cc1,CID894481,0.0,,,,,,0.0,0.0,,,,,0.0,,0.0,0.0,0.0
COc1ccc(C(C)=O)cc1COC(=O)c1ccc(S(=O)(=O)N(C)C)cc1,CID2550787,,,,,,,,,,,,,,0.0,,,
CN(C)c1ccc(C(=O)OCc2ccc(Br)cc2)cc1,CID799726,,,,,,,,,,,,0.0,,,0.0,,
CCC(=O)Nc1ccc(C(=O)OCc2ccccc2Cl)cc1,CID902800,,,,,,,,,,,,,,0.0,,,
CN(C)c1ccc(C(=O)OCc2ccccc2)cc1,CID803407,,,,,,0.0,,,0.0,0.0,,,,,,,
CN(C)S(=O)(=O)c1ccc(C(=O)OCc2ccc(C#N)cc2)cc1,CID2401131,,,,0.0,,,,0.0,0.0,,,,,0.0,0.0,,0.0
COC(=O)c1cccc(COC(=O)c2ccc(N(C)C)cc2)c1,CID902812,,,,,,,,,0.0,,,,,,,,
COc1cccc(C(=O)OCc2ccccc2C#N)c1O,CID2096243,,,,0.0,,0.0,,0.0,0.0,,0.0,,0.0,,0.0,0.0,
COc1ccc(C(C)=O)cc1COC(=O)c1cccc(N(C)C)c1,CID2432389,,,0.0,0.0,,0.0,0.0,,,,0.0,,,,0.0,0.0,
CN(C)S(=O)(=O)c1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1,CID2410123,,,,,,,,,,,,,,0.0,,,
O=C(O)c1ccccc1C(=O)OCc1ccccc1,CID31736,,,,,,,,,0.0,,,,,0.0,,,
COc1cc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC,CID891529,,,,,,,,,,,,,,,0.0,,
CC(=O)Nc1ccc(C(=O)OCc2ccc(Br)cc2)cc1,CID893172,,,,,,,,,,,,,,,0.0,,
CC(=O)Nc1ccc(C(=O)OCc2ccccc2Br)cc1,CID2233747,,,,,,,,,,,,,,,0.0,,
COc1cc(OC)cc(C(=O)OCc2ccc([N+](=O)[O-])cc2)c1,CID2365216,,,,,,,,,,,,,,,0.0,,
CCCS(=O)(=O)c1ccc(COC(=O)c2ccc(NC(C)=O)cc2)cc1,CID1300264,,,,,,,,,,,,,,0.0,,,
CC(=O)Nc1cc(C(=O)OCc2cccc([N+](=O)[O-])c2)ccc1C,CID891303,,,,,,,,,,,,,,,0.0,,
Nc1ccccc1C(=O)OCc1ccc([N+](=O)[O-])cc1,CID1290714,,,,,,,,,,,,,,0.0,,,
CC(=O)Nc1ccc(C(=O)OCc2ccccc2Cl)cc1,CID894589,,,,,,,,,,,,,,0.0,,,
CC(=O)c1ccc(COC(=O)c2ccccc2NC(=O)C(C)C)cc1,CID973294,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(Nc2ncnc3c2cnn3-c2ccccc2)cc1,CID875439,,0.0,,,,,,,,,,,0.0,,,,
Cc1ccccc1Nc1ncnc2c1cnn2-c1ccccc1,CID219756,,,,0.0,,,,,,,,,0.0,,,,
CC(=O)Nc1ccc(Nc2ncnc3c2cnn3-c2ccccc2)cc1,CID661098,,0.0,0.0,0.0,,,,,,,,,,,,,
COc1ccc(OC)c(Nc2ncnc3c2cnn3-c2cccc(C)c2)c1,CID3237049,,0.0,,,,,0.0,0.0,,,0.0,,,,,,0.0
COc1ccc(OC)c(Nc2ncnc3c2cnn3-c2ccccc2)c1,CID866494,0.0,,0.0,0.0,,,,0.0,,,0.0,,,,,0.0,
COc1ccc(-n2ncc3c(Nc4cccc(C)c4)ncnc32)cc1,CID661214,,,0.0,,,,,0.0,,,,,,,,,
COC(=O)c1cc(Nc2ncnc3c2cnn3-c2ccccc2)cc(C(=O)OC)c1,CID1307318,0.0,0.0,0.0,,,,0.0,,,,,,,,,,
CCN(c1ccccc1)c1ncnc2c1cnn2-c1ccccc1,CID2939098,,,,0.0,,,,,,,,0.0,0.0,,,,
CCOc1ccccc1Nc1ncnc2c1cnn2-c1ccccc1,CID866481,,0.0,,0.0,,,,0.0,,0.0,,,,,,,
COc1ccc(Nc2ncnc3c2cnn3-c2cccc(C)c2)cc1OC,CID1420592,0.0,0.0,0.0,0.0,,,,0.0,,,,,,,,,0.0
COC(=O)c1ccc(Nc2ncnc3c2cnn3-c2cccc(C)c2)cc1,CID4429285,,0.0,,,,,,,,,,,,,,,
CC(=O)Nc1ccc(Nc2ncnc3c2cnn3-c2cccc(C)c2)cc1,CID661048,,0.0,,,,,,,,,,,,,,,
Clc1ccc(Nc2ncnc3c2cnn3-c2ccccc2)cc1,CID219776,0.0,,0.0,,,,,,,,,,,,0.0,,0.0
CC(=O)Nc1ccc(Nc2ncnc3c2cnn3-c2ccc(C)cc2C)cc1,CID1315339,,,,,,,,,,,0.0,,,,,,
Clc1cccc(Nc2ncnc3c2cnn3-c2ccccc2)c1,CID219762,0.0,0.0,,,,,0.0,,,,,,,,,,
COc1ccccc1Nc1ncnc2c1cnn2-c1cccc(C)c1,CID661235,0.0,,0.0,0.0,,0.0,,,,,,0.0,,,,,
COc1cccc(Nc2ncnc3c2cnn3-c2cccc(C)c2)c1,CID661236,,,0.0,,,0.0,,,,,,0.0,0.0,,,,
Cc1cccc(-n2ncc3c(Nc4ccc(F)cc4)ncnc32)c1,CID866476,,,,0.0,,,,0.0,,,,,,,,,
COc1ccc(Nc2ncnc3c2cnn3-c2ccccc2)cc1OC,CID697712,0.0,0.0,,0.0,,,,,,,0.0,,,,,,0.0
Fc1cccc(Nc2ncnc3c2cnn3-c2ccccc2)c1,CID697710,,0.0,,,,,,0.0,,,,,,,,,
O=C(c1ccc(F)cc1)c1cc2ccccc2o1,CID757542,,,,,,,,,0.0,,,,,,,0.0,
Nc1c(C(=O)c2ccccc2)oc2ccccc12,CID854225,,,,,,,,,,0.0,,,,,,,
COc1ccc(C(=O)c2cc3cccc(OC)c3o2)cc1,CID1480055,,,,,,,,,,,,,,0.0,,,
COc1cccc2cc(C(=O)c3ccc([N+](=O)[O-])cc3)oc12,CID895198,,,,,,,,,,,,,,0.0,0.0,,
CC(C)C(=O)Nc1c(C(=O)c2ccc(F)cc2)oc2ccccc12,CID4289349,,,,0.0,,,,,0.0,,,,0.0,,,,
COc1ccc(C(=O)c2oc3ccccc3c2N)cc1,CID693230,,,,,,,,,,,0.0,0.0,,,,,0.0
CC(=O)Nc1c(C(=O)c2ccc(F)cc2)oc2ccccc12,CID620333,,,,,,,0.0,,0.0,,,,,,,,
Nc1c(C(=O)c2ccccc2)oc2ccc(Br)cc12,CID651586,0.0,,,,,,,,,,0.0,0.0,,,,0.0,0.0
COc1ccc(C(=O)c2oc3ccccc3c2NC(C)=O)cc1,CID906598,,,,,,,,,0.0,0.0,0.0,,,,0.0,,
COc1ccc(OC)c(C(=O)c2oc3ccccc3c2NC(C)=O)c1,CID622408,,,,0.0,,,0.0,0.0,,0.0,,,0.0,,,0.0,
Cc1ccc(C(=O)c2cc3ccccc3o2)cc1,CID935764,,,,,,,,,0.0,,0.0,,,0.0,,,
O=C(c1ccccc1)c1cc2ccccc2o1,CID95808,,,,,,,,0.0,0.0,,,,0.0,0.0,,,
COc1ccc(C(=O)c2oc3ccc(OC)cc3c2NC(C)=O)cc1,CID1088164,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)c2oc3ccc(OC)cc3c2N)cc1,CID1088163,0.0,,,,0.0,,,0.0,,0.0,,,,,,,0.0
Cc1ccc(C(=O)c2oc3ccccc3c2N)cc1,CID619566,,,,,,,,,,,0.0,,,,,,
CC(=O)Nc1c(C(=O)c2ccccc2)oc2ccccc12,CID616884,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,,0.0,,,,0.0
COc1ccc2oc(C(=O)c3ccccc3)c(N)c2c1,CID698980,,,,,,0.0,,,,0.0,,,,0.0,0.0,,
Cc1ccc(C(=O)c2cc3ccccc3o2)cc1[N+](=O)[O-],CID921915,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C(=O)c2cc3ccccc3o2)cc1C,CID755827,,,,,,0.0,,,,,0.0,,,,,,
COc1ccc(C(=O)c2oc3ccc(Br)cc3c2NC(C)=O)cc1,CID4103652,0.0,,,,,,,,,,0.0,,,,,,
C=CCn1c(=S)[nH]c2ccccc2c1=O,CID657947,,,,0.0,0.0,,,,,,,,,,,,
CCOc1cc2[nH]c(=S)n(CCCOC)c(=O)c2cc1OCC,CID3242750,,,,,,,,0.0,,,,,,,0.0,,
CC(C)n1c(=S)[nH]c2ccccc2c1=O,CID2427287,,,,,,,,,,,,,,0.0,,,
C=CCn1c(=S)[nH]c2ccc(Br)cc2c1=O,CID866368,,,,,,,,,0.0,,,,,,,0.0,0.0
CCN(CC)CCCn1c(=S)[nH]c2ccc(Cl)cc2c1=O,CID3243458,,0.0,,,,,,,,,,,,,,,
COc1cc2[nH]c(=S)n(NC(=O)CC(C)C)c(=O)c2cc1OC,CID1955462,,,,,,,0.0,,0.0,,,,0.0,,,0.0,
CCOCCCn1c(=S)[nH]c2cc(C(=O)NCCOC)ccc2c1=O,CID3238037,,0.0,,,,,,0.0,,,,,,,,0.0,0.0
CCOCCCn1c(=S)[nH]c2cc(C(=O)NCCN(CC)CC)ccc2c1=O,CID3242370,,,,,,,,,,,,,0.0,,,,
CCN(CC)CCCn1c(=S)[nH]c2cc(Cl)ccc2c1=O,CID3244089,,0.0,,,,,0.0,,,,,,,,,,0.0
CCN(CC)CCCn1c(=S)[nH]c2ccccc2c1=O,CID866388,,,,0.0,,0.0,,,,,,,0.0,,,,
COCCn1c(=S)[nH]c2cc(OC)c(OC)cc2c1=O,CID1945993,,,0.0,0.0,,,,0.0,,,,,,,,,
CCC(CO)n1c(=S)[nH]c2cc(OC)c(OC)cc2c1=O,CID4829949,,,,,,,,,,,,,,0.0,,,
CCN(CC)CCn1c(=S)[nH]c2ccccc2c1=O,CID852586,,,,0.0,,0.0,,,,,,,,0.0,,,
CCN(CC)C(=O)c1ccc2c(=O)n(CCOC)c(=S)[nH]c2c1,CID4077795,,,,,,,,,0.0,,,,,,,,
CCN(CC)CCn1c(=S)[nH]c2ccc(Cl)cc2c1=O,CID3241011,,0.0,0.0,,,,,,,,,,,,,0.0,
COn1c(=S)[nH]c2ccccc2c1=O,CID662279,,,,,0.0,,,,,,,,,,,,
COCCn1c(=S)[nH]c2ccc(N(C)C)cc2c1=O,CID3240539,,0.0,,0.0,,,0.0,,0.0,,,,,,,,
CCOc1cc2[nH]c(=S)n(CCCN(CC)CC)c(=O)c2cc1OCC,CID3250407,,,,,,,,,,0.0,,,,,,,
COC(=O)c1ccc2c(=O)n(NC(C)=O)c(=S)[nH]c2c1,CID1972010,,,,,,,,,,,,0.0,0.0,,,,
CCOc1cc2[nH]c(=S)n(CCOC)c(=O)c2cc1OCC,CID3243613,,0.0,,,,,,,,,,,0.0,,,,
CCC(=O)Oc1ccc2c3c(c(=O)oc2c1C)CCC3,CID2270524,,,,,,0.0,,,,,,,,,,,
CC(C)CN(Cc1c(O)ccc2c3c(c(=O)oc12)CCC3)CC(C)C,CID5322221,,,,,,,,,,,,,,0.0,,,
COC(=O)C(C)Oc1cc(C)cc2oc(=O)c3c(c12)CCC3,CID667208,,,,,,,,,0.0,,,,0.0,,,,
C=CCOC(=O)COc1cc(C)cc2oc(=O)c3c(c12)CCC3,CID2055528,,,,,,,,0.0,0.0,0.0,,,,,,,
CC(C)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3,CID886522,,,,,,,,,,0.0,,,,0.0,,,0.0
CC(C)CNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3,CID2525258,,,,,,,0.0,,,,,,0.0,,,0.0,
Cc1cc(OC(=O)CCNC(=O)OC(C)(C)C)c2c3c(c(=O)oc2c1)CCC3,CID663296,,,,,,,,0.0,,,,,,,,,
Cc1c(OC(=O)CNC(=O)OC(C)(C)C)ccc2c3c(c(=O)oc12)CCC3,CID663003,,,0.0,0.0,,,0.0,,,,,,,,,,
O=C(O)COc1ccc2c3c(c(=O)oc2c1)CCC3,CID2002015,,,,,,,,,0.0,,,,,0.0,,,
CC(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3,CID725782,,,,,,,,,,,,,,,,,0.0
CC(C)CCNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3,CID2525248,,,,,,,,0.0,,,,,,,,0.0,
CC(C)Oc1ccc2c3c(c(=O)oc2c1)CCC3,CID886502,,,,,,,,,0.0,,,,,,,,
CCC(NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c3c(c(=O)oc2c1)CCC3,CID663130,,,,,,,,,,0.0,,,,,,,
Cc1c(OCC(=O)OC(C)(C)C)ccc2c3c(c(=O)oc12)CCC3,CID2998135,,,,,,,,0.0,,,,,,,,,
Cc1cc(OCC(=O)OC(C)(C)C)c2c3c(c(=O)oc2c1)CCC3,CID2888296,,,,,,,,,0.0,,,,,,,,
CCOc1cc2oc(=O)c3c(c2cc1Cl)CCC3,CID1933725,,0.0,,,,,,,0.0,,,,,,,,0.0
COCCN(CCOC)Cc1c(O)ccc2c3c(c(=O)oc12)CCC3,CID5310865,,,,0.0,,0.0,,0.0,,,,,,,,,
CCOC(=O)COc1ccc2c3c(c(=O)oc2c1C)CCC3,CID2789357,,,0.0,,,,0.0,0.0,0.0,,,,,0.0,0.0,,
CCCCOC(=O)COc1cc(C)cc2oc(=O)c3c(c12)CCC3,CID1583751,,,,,,,,,,,,,0.0,,,,
Cc1c(OCC(=O)OC(C)C)ccc2c3c(c(=O)oc12)CCC3,CID2888135,,,,,,,,,,,,,0.0,,,,
CCCCCn1c(CN2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C,CID3238206,0.0,,0.0,,,,,,,,0.0,,0.0,0.0,,,0.0
CC(C)CCn1c(CN2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)n(C)c(=O)n2C,CID5072231,0.0,,,,,,,,,,,,,,,,
COC(=O)Cn1c(CN2CCN(c3ccccc3F)CC2)nc2c1c(=O)n(C)c(=O)n2C,CID2990159,,,,,,,,,,,,,,,,0.0,
CCCCCn1c(CN2CCN(c3cc(Cl)ccc3C)CC2)nc2c1c(=O)[nH]c(=O)n2C,CID3238162,0.0,,0.0,,,,,,,,,,0.0,,,,0.0
COc1ccc(N2CCN(Cc3nc4c(c(=O)[nH]c(=O)n4C)n3CC(C)=O)CC2)cc1,CID4908681,,0.0,,,,,,,,,0.0,,,,0.0,,
CCCCn1c(CN2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)n(C)c(=O)n2C,CID666267,0.0,,,,,,0.0,,,,0.0,,,,,,
COCCn1c(CN2CCN(c3ccccc3F)CC2)nc2c1c(=O)n(C)c(=O)n2C,CID4893251,,0.0,,,,,,,,,,,,,,,
CCOCCn1c(CN2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)n(C)c(=O)n2C,CID4457766,,,,,,,,,,,,,0.0,,,,
COc1ccc(N2CCN(Cc3nc4c(c(=O)n(C)c(=O)n4C)n3C(C)C(C)=O)CC2)cc1,CID2990290,,,,,,,,,,0.0,,,,,,,
COc1ccc(N2CCN(Cc3nc4c(c(=O)n(C)c(=O)n4C)n3CC(C)=O)CC2)cc1,CID2990552,,,,,,,,,,0.0,,,,,,,
CCCn1c(CN2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)n(C)c(=O)n2C,CID4891472,,,,,,,,,,,,0.0,,,,,
CCOCCn1c(CN2CCN(c3ccc(OC)cc3)CC2)nc2c1c(=O)n(C)c(=O)n2C,CID666210,0.0,,,,,,,,,,,,,,,,
CCCCCn1c(CN2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)n(C)c(=O)n2C,CID667043,0.0,,0.0,,,,0.0,,,0.0,,,0.0,,,,
CC(C)Cn1c(CN2CCN(c3ccccc3F)CC2)nc2c1c(=O)[nH]c(=O)n2C,CID4901303,,,0.0,,,,,,,,,,,,,,
COCCn1c(CN2CCN(c3ccc(OC)cc3)CC2)nc2c1c(=O)n(C)c(=O)n2C,CID667364,,,,,,,,,,0.0,,,,,,,
COCCn1c(CN2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)n(C)c(=O)n2C,CID3341719,0.0,,,,,,,,,,,,,,,,
CCCCn1c(CN2CCN(c3ccc(F)cc3)CC2)nc2c1c(=O)n(C)c(=O)n2C,CID4889318,,,,,,,,,,,,,0.0,,,,
CCOCCn1c(CN2CCN(c3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C,CID665966,0.0,0.0,,,,,,,,0.0,,,,,,,
COCCn1c(CN2CCN(c3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C,CID651403,,0.0,,,,,,,,0.0,,,,,,,
CCCCn1c(CN2CCN(c3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C,CID2991558,0.0,0.0,0.0,,,,,0.0,,0.0,,,0.0,,,,0.0
CSCCC(NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2ccc(C)cc2C)o1,CID665232,,,0.0,,,0.0,,,,,0.0,,0.0,,,,
Cc1cccc(C)c1NC(=O)CSc1nnc(CCNC(=O)OC(C)(C)C)o1,CID1995940,,,,,,0.0,,,,,,,,,,,
CC(C)(C)OC(=O)NCCCCCc1nnc(SCC(=O)Nc2cccc(Cl)c2)o1,CID662823,0.0,,,,0.0,,,,,,0.0,,0.0,,,,
Cc1cccc(C)c1NC(=O)CSc1nnc(C(C)NC(=O)OC(C)(C)C)o1,CID662879,,,,0.0,,,,,,,,,0.0,,,,
Cc1c(Cl)cccc1NC(=O)CSc1nnc(CCNC(=O)OC(C)(C)C)o1,CID662885,0.0,0.0,,,0.0,,,,0.0,,,0.0,,,,,0.0
CCc1ccccc1NC(=O)CSc1nnc(C(CCSC)NC(=O)OC(C)(C)C)o1,CID665220,,,,,,,,,,0.0,0.0,,,,,0.0,
Cc1cccc(NC(=O)CSc2nnc(CCCCCNC(=O)OC(C)(C)C)o2)c1C,CID662560,0.0,,,,,,,,0.0,,,,,,,,0.0
COc1ccccc1NC(=O)CSc1nnc(C)o1,CID646270,,0.0,,,,,,,,0.0,,0.0,0.0,,,0.0,0.0
CC(NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2ccc(Br)cc2)o1,CID662682,0.0,,,,,,,,0.0,,0.0,,,,,,0.0
CC(C)(C)OC(=O)NCCCCCc1nnc(SCC(=O)Nc2ccc(Br)cc2)o1,CID662819,,,,,,,0.0,,0.0,,,,,,,0.0,0.0
Cc1ccc(C)c(NC(=O)CSc2nnc(CCCCCNC(=O)OC(C)(C)C)o2)c1,CID662620,0.0,,,,,,0.0,,,,,,0.0,,,0.0,
CCc1ccccc1NC(=O)CSc1nnc(C(NC(=O)OC(C)(C)C)C(C)C)o1,CID662540,,0.0,,,,,,,,,,,,0.0,,,
CC(C)CC(NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2ccc(Br)cc2)o1,CID662800,0.0,,,,,,0.0,,0.0,,0.0,,,,,,
Cc1ccc(NC(=O)CSc2nnc(CCNC(=O)OC(C)(C)C)o2)c(C)c1,CID1985772,,,,,,,,,,,0.0,,,,,,
Cc1ccc(NC(=O)CSc2nnc(CCCCCNC(=O)OC(C)(C)C)o2)c(C)c1,CID663338,0.0,,,,,,,,,,,,0.0,0.0,,,
CC(C)C(NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2ccc(Br)cc2)o1,CID662310,,,,,,,,,0.0,,0.0,,,,,,0.0
CC(C)(C)OC(=O)NCCc1nnc(SCC(=O)Nc2cccc(Cl)c2)o1,CID662794,0.0,0.0,,0.0,0.0,,,,0.0,,,0.0,,,,,0.0
Cc1cccc(C)c1NC(=O)CSc1nnc(CCCCCNC(=O)OC(C)(C)C)o1,CID662452,0.0,,0.0,0.0,,,,,,0.0,,,,,,,
CSCCC(NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2c(C)cccc2C)o1,CID665661,,,0.0,0.0,,,,,,0.0,,,,,,0.0,
Cc1ccc(C)c(NC(=O)CSc2nnc(CCNC(=O)OC(C)(C)C)o2)c1,CID1989712,,,,,,0.0,,,,,0.0,,,,,,
O=C(COc1ccccc1Cl)Nc1ccc(Cl)cn1,CID883796,0.0,,,,,,,,,,,,,,,,
O=C(COc1ccccc1)Nc1ccc(Cl)cn1,CID738246,,,,,,,,,,,,,,0.0,,,
Cc1cccnc1NC(=O)C(C)Oc1ccccc1,CID2977782,,,,0.0,0.0,,,,,0.0,,,,,,0.0,
COc1ccccc1OCC(=O)Nc1ccccn1,CID648158,0.0,,,,,,,,,,,,0.0,,,,
Cc1cccc(NC(=O)COc2ccc(Br)cc2C)n1,CID803865,0.0,,,,,,,,0.0,,,,,,,,
O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cn1,CID871057,,,,,,,,,0.0,,,,,,,,
CCC(C)c1ccc(OCC(=O)Nc2ccc(Cl)cn2)cc1,CID2957131,,,,,,,,,,0.0,,,,,,,
Cc1ccnc(NC(=O)COc2cc(C)c(Cl)c(C)c2)c1,CID740907,,,,,,0.0,,,,,,,,,,,
CCC(Oc1ccccc1)C(=O)Nc1ccccn1,CID644606,,,,,0.0,,0.0,,,,,,,,,0.0,
Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(Cl)cn2)c1,CID875376,0.0,0.0,,,,,0.0,,,0.0,,,0.0,,,0.0,0.0
Cc1cc(C)c(OCC(=O)Nc2ccccn2)c([N+](=O)[O-])c1,CID832298,,,,,,,,,,,,,,0.0,0.0,,
O=C(COc1ccc(Cl)cc1)Nc1ccc(Cl)cn1,CID646465,0.0,,,0.0,,,,,0.0,,,,,,,,
Cc1cccc(NC(=O)COc2ccccc2C)n1,CID795871,,,,0.0,0.0,,,,,0.0,,0.0,0.0,,,0.0,
Cc1ccc(OCC(=O)Nc2ccc(Cl)cn2)c(C)c1,CID842951,,,,,,0.0,,,,,,,,,,,
Cc1ccnc(NC(=O)COc2c(C)cc(C)cc2[N+](=O)[O-])c1,CID832300,,,,,,,,,,,,,,0.0,,,
Cc1ccc(OCC(=O)Nc2cccc(C)n2)c(C)c1,CID738247,0.0,,,,0.0,,0.0,,,0.0,,0.0,,0.0,0.0,0.0,
Cc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])nc1,CID2319869,,,,,,,,,,,,,,0.0,,,
Cc1cccc(NC(=O)C(C)Oc2ccccc2C)n1,CID2976902,,,,,0.0,,,,,0.0,0.0,,0.0,,,0.0,
O=C(COc1ccc(Br)cc1)Nc1ccc([N+](=O)[O-])cn1,CID2953923,,,,,,,,,,,,0.0,,,,,
Cc1cccc(NC(=O)COc2ccc(Br)cc2)n1,CID795956,0.0,,,,,,0.0,,0.0,,0.0,0.0,,,,0.0,0.0
COc1ccccc1N1CCN(C(=O)C(C)N(c2ccc(C)cc2)S(C)(=O)=O)CC1,CID2967691,,0.0,0.0,,0.0,,,0.0,,,0.0,,,,,,0.0
COc1ccc(N2CCN(C(=O)CN(c3cccc(Br)c3)S(C)(=O)=O)CC2)cc1,CID1313298,0.0,,,,,,0.0,,0.0,,0.0,,,,,0.0,0.0
COc1cccc(N(CC(=O)N2CCN(c3ccccc3OC)CC2)S(C)(=O)=O)c1,CID1142952,,,,,,,,,,0.0,0.0,,,,,,
COc1ccccc1N1CCN(C(=O)C(C)N(c2ccccc2)S(C)(=O)=O)CC1,CID2915535,,,,,,,,,,,,0.0,,,,,
CS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2F)CC1)c1cccc(C(F)(F)F)c1,CID1163504,0.0,,,,0.0,,,,,,,,,,,,
CS(=O)(=O)N(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1,CID1312458,,0.0,0.0,,0.0,,0.0,,,,,0.0,0.0,,0.0,,
Cc1ccc(N(/C=N/C#N)CC(=O)N2CCN(c3ccccc3)CC2)cc1,CID658366,,0.0,0.0,0.0,,,,,,,,,,,,,
COc1ccccc1N1CCN(C(=O)C(C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)CC1,CID2980376,,,0.0,,0.0,,,0.0,,,,0.0,,,,,
CS(=O)(=O)N(CC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cccc(Cl)c1,CID2290501,,,,,,,,,,,,0.0,,,,,
COc1ccc(OC)c(N(CC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)S(C)(=O)=O)c1,CID1314468,0.0,0.0,0.0,0.0,0.0,,,,,,,,,,,,
CS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2F)CC1)c1cc(C(F)(F)F)ccc1Cl,CID2914888,,,,,0.0,,,,,,,,,,,,0.0
CS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)c1ccccc1Cl,CID1129500,,,,,,,,,,,,0.0,,,,,
CS(=O)(=O)N(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1cccc(F)c1,CID1304744,0.0,,,0.0,0.0,,,,,,,,,0.0,,,0.0
CCc1ccccc1N(CC(=O)N1CCN(c2ccc(F)cc2)CC1)S(C)(=O)=O,CID1163553,,,,,,0.0,,0.0,,0.0,,0.0,,,,,0.0
CCc1ccccc1N(CC(=O)N1CCN(c2ccccc2)CC1)S(C)(=O)=O,CID1148599,,,,,0.0,,,,,,,,0.0,,,,0.0
COc1ccc(N2CCN(C(=O)CN(c3ccc(Br)cc3)S(C)(=O)=O)CC2)cc1,CID1319388,,,,,,,,,0.0,,0.0,,,,,0.0,0.0
COc1ccccc1N1CCN(C(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)CC1,CID648209,,,,,0.0,,0.0,0.0,,,,,,,,,0.0
CS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)c1cc(C(F)(F)F)ccc1Cl,CID1003584,,,,,0.0,,,,,,,0.0,,,,,
COc1ccc(N2CCN(C(=O)CN(c3ccccc3)S(C)(=O)=O)CC2)cc1,CID646824,,,0.0,,0.0,,,0.0,,,,,0.0,,,0.0,0.0
CS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)c1cccc(Br)c1,CID1000784,,,,,,,0.0,,0.0,,0.0,,,,,,0.0
Nc1n[nH]c(-c2ccccc2)n1,CID95778,,,,,,,,,,,,0.0,,,,,
COc1ccc(-c2nc(N)n[nH]2)cc1,CID781002,,,,,,,,,,,,0.0,,,,,
C=CCSc1n[nH]c(-c2ccc(OC)cc2)n1,CID2214409,,,,,,,,0.0,,,,,0.0,0.0,0.0,0.0,0.0
COc1ccccc1-c1nc(N)n[nH]1,CID605283,,,,,,,,,,,,,,0.0,,,
COc1cc(-c2nc(N)n[nH]2)cc(OC)c1OC,CID2873615,,,,0.0,,,,0.0,,,,,0.0,,0.0,0.0,
CCCCOc1ccc(-c2nc(SCC(N)=O)n[nH]2)cc1,CID2214083,,,,,,0.0,,,,0.0,0.0,0.0,,0.0,,,
CCCOc1ccc(-c2nc(N)n[nH]2)cc1,CID3239895,,0.0,,,,,,,,,,,,,,,
COc1ccc(-c2nc(N)n[nH]2)cc1OC,CID652386,,0.0,,0.0,,,0.0,,,,,0.0,,,0.0,0.0,
Cc1cccc(-c2nc([N+](=O)[O-])n[nH]2)c1,CID1208666,,,,,,,,,,,,0.0,,,,,
CCOc1ccccc1-c1nc(SCC(=O)O)n[nH]1,CID818063,0.0,,0.0,,,0.0,,,,,,0.0,,,,,
C=CCNC(=O)CSc1n[nH]c(-c2cc(Cl)ccc2OC)n1,CID2085918,,,,,,,,,,,,,,,0.0,,
C=CCSc1n[nH]c(-c2ccc(OCCC)cc2)n1,CID1825764,,0.0,0.0,0.0,,,,0.0,,,,,0.0,,,,0.0
COc1ccccc1-c1nc(NC(C)=O)n[nH]1,CID646463,,0.0,0.0,,,,0.0,,0.0,,,0.0,0.0,0.0,,,
COc1ccccc1-c1nc(SCC(=O)O)n[nH]1,CID976866,,,,0.0,,,,0.0,0.0,0.0,,,,,,,0.0
COc1cc(OC)cc(-c2nc(N)n[nH]2)c1,CID686443,,0.0,,,,,0.0,,,,,0.0,,0.0,,0.0,
COc1ccc(Cl)cc1-c1nc(SCC(=O)N(C)C)n[nH]1,CID2086137,,,,,,,,,,,,,,,0.0,,
CCCCc1ccc(-c2nc(N)n[nH]2)cc1,CID2282389,,0.0,0.0,,,,,0.0,,,,,,,,0.0,
CC(C)Oc1ccccc1-c1nc(SCC(=O)O)n[nH]1,CID2865041,,,0.0,0.0,,,,,0.0,0.0,0.0,,,,,0.0,0.0
CCCOc1ccccc1-c1nc(SCCC(=O)O)n[nH]1,CID2958771,0.0,,0.0,,,,,,,,0.0,,,,,,
C=CCSc1n[nH]c(-c2ccc(OCCCC)cc2)n1,CID2215072,,0.0,,,,,,0.0,,,,,0.0,,,,
O=C(Nc1ccc(Cl)cc1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1,CID5309529,0.0,,0.0,0.0,,,,,,,,,0.0,,,,
O=C(Nc1cccc(C(F)(F)F)c1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1,CID3239144,0.0,,,,0.0,,,,,0.0,,,,,,,0.0
CCOc1ccc(OCC)c(NC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)c1,CID5309037,,,,,,,,0.0,,,,,,,,,
COC(=O)c1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)cc1,CID5307521,,,,,,,,0.0,,,,,0.0,,,,
Cc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)c(Br)c1,CID5307974,,,,,,,,,,,,,,,,0.0,0.0
CCOC(=O)c1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)cc1,CID5308842,0.0,,,0.0,,,,0.0,,0.0,,,,,,,
O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1,CID3238452,0.0,,,,0.0,,,,,,,,0.0,,,,
COc1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1,CID5307461,,,,,,0.0,,,,,,,,,,0.0,
Cc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)cc1F,CID5307816,0.0,0.0,0.0,,,,0.0,,,,,,0.0,,,,
Cc1cc(C)cc(NC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)c1,CID5309725,,,,,,,0.0,,,,,,,,,,
Cc1cc(NC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)ccc1Br,CID5307616,,,,,,,,,,,,,,,,0.0,
O=C(Nc1ccc(Br)cc1F)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1,CID5309510,0.0,,,,,,,,,,,,,,,0.0,
Cc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)cc1C,CID5308159,,,0.0,,,,,,,,,,,,,,
CCN(CC)c1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)c(C)c1,CID5309045,,,,,,,,0.0,,,,,,,,,0.0
COc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)cc1,CID5309810,,,,0.0,,,,0.0,,,,,,,,,
CC(C)c1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)cc1,CID5309265,,,,,,0.0,,,,,,,0.0,0.0,,,
O=C(Nc1cccc(Cl)c1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1,CID5309290,0.0,,,,,,0.0,,,0.0,,,,,,,
CSc1cccc(NC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)c1,CID5309367,0.0,0.0,,0.0,,,,,,,,,,,,0.0,
COc1ccc(C)cc1NC(=O)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1,CID5309543,,,,,,,,,,,,,0.0,,,,
CCOC(=O)c1cccc(NC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)c1,CID5307765,0.0,0.0,,,,,,0.0,,,,0.0,0.0,,,,
CCCNC(=O)c1ccccc1NC(=O)CSCc1ccc(OC)cc1,CID2208300,,,,,,,,,,,,,,,0.0,,
O=C(CSCc1ccc(F)cc1)Nc1ccccc1,CID573187,,,,,,0.0,,,,,,,,,,,
O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)O,CID881815,,,,,,,,,,,,,,0.0,0.0,,
CC(=O)c1cccc(NC(=O)CSCc2ccc(Br)cc2)c1,CID1248089,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccc(NC(=O)CSCc2ccccc2)cc1,CID839382,,,,,,0.0,,,,,,,,,,,
COc1ccc([N+](=O)[O-])cc1NC(=O)CSCc1ccccc1C,CID893149,,,,,,,,,,,,,,,0.0,,
CCc1ccc(NC(=O)CSCc2ccc(C(=O)O)cc2)cc1,CID733618,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccc(NC(=O)CSCc2ccc(C)cc2)cc1,CID970291,,,,,,,,,,,,,,0.0,,,
CSc1ccccc1NC(=O)CSCc1ccccc1Br,CID2205970,,,,,,,,,,,,0.0,,,,,
COC(=O)c1ccc(NC(=O)CSCc2ccccc2C)cc1,CID2208742,,,,,,,,,,,,,,0.0,,,
COC(=O)c1cccc(NC(=O)CSCc2ccccc2)c1,CID685912,,,,,,0.0,,,,,,,,,,,
COC(=O)c1ccc(CSCC(=O)Nc2ccccc2)cc1,CID734342,,,,,,,,,,,,,,0.0,,,
COc1ccc([N+](=O)[O-])cc1NC(=O)CSCc1ccccc1,CID881906,,,,,,,,,,,,,,,0.0,,
COc1ccc([N+](=O)[O-])cc1NC(=O)CSCc1cc(C)cc(C)c1,CID1319211,,,,,,,,,,,,,,0.0,,,
COc1ccccc1NC(=O)CSCc1ccc([N+](=O)[O-])cc1,CID1322682,,,,,,,,,,,,,,,0.0,,
CC(=O)c1cccc(NC(=O)CSCc2ccccc2)c1,CID886875,,,,,,,,,,,,,,,0.0,,
Cc1ccccc1NC(=O)CSCc1ccccc1,CID959225,,,,,,0.0,,,,,,,,,,,
CC(C)CNC(=O)c1ccccc1NC(=O)CSCc1ccccc1,CID1370212,,,,,,0.0,,,,,,0.0,,,,,
O=C(CSCc1ccc(C(=O)O)cc1)Nc1ccccc1,CID802354,,,,,,,,,,,,,,0.0,,,
Cc1ccc(CSCC(=O)Nc2ccc(F)cc2)cc1,CID733258,,,,,,,,,,,,,,0.0,,,
Cn1c(NC(=O)c2ccc(Cl)cc2Cl)cc(=O)n(C)c1=O,CID2148464,0.0,,,,,,,,,0.0,,,0.0,,,,0.0
CCOc1ccc(C(=O)Nc2cc(=O)n(C)c(=O)n2C)cc1,CID2148474,,,,,,,,,0.0,,,,0.0,,,,
Cn1c(NC(=O)c2ccccc2F)cc(=O)n(C)c1=O,CID2148458,,,,0.0,,,,0.0,,,0.0,,,,,,
Cn1c(NC(=O)c2cccc(C(F)(F)F)c2)cc(=O)n(C)c1=O,CID2148459,,,,,0.0,,,,0.0,,,,,,,,0.0
Cn1c(NC(=O)c2cc(Br)ccc2Cl)cc(=O)n(C)c1=O,CID2148450,0.0,,,,,,0.0,,,,,,,,,0.0,
COc1ccc(Cl)cc1C(=O)Nc1cc(=O)n(C)c(=O)n1C,CID2148456,,0.0,,,,,0.0,,,0.0,,,,,,,0.0
COc1ccc(C(=O)Nc2cc(=O)n(C)c(=O)n2C)cc1OC,CID2148488,,,0.0,0.0,,,,0.0,0.0,,,,,,,,0.0
Cn1c(NC(=O)c2ccccc2Br)cc(=O)n(C)c1=O,CID2148483,0.0,,,,,,0.0,,0.0,,,,,,,,
Cn1c(NC(=O)c2cc(Cl)ccc2Cl)cc(=O)n(C)c1=O,CID2148463,0.0,,,,,,,,,,,,,,,,
Cc1cccc(C(=O)Nc2cc(=O)n(C)c(=O)n2C)c1,CID2148495,,0.0,,0.0,,,,0.0,0.0,,,,0.0,,0.0,,
Cn1c(NC(=O)c2ccccc2C(F)(F)F)cc(=O)n(C)c1=O,CID2148499,,,,0.0,0.0,,,,0.0,,,0.0,,,,,0.0
Cn1c(NC(=O)c2ccc(C(C)(C)C)cc2)cc(=O)n(C)c1=O,CID844290,,,0.0,,0.0,,,,0.0,,0.0,,0.0,,,,
Cn1c(NC(=O)c2ccccc2)cc(=O)n(C)c1=O,CID2148476,,,,0.0,,0.0,,,,,,,0.0,,0.0,,
Cc1ccc(C(=O)Nc2cc(=O)n(C)c(=O)n2C)cc1C,CID2148473,0.0,,0.0,0.0,,,0.0,,0.0,,0.0,,0.0,,,,
Cn1c(NC(=O)c2ccc(Cl)cc2)cc(=O)n(C)c1=O,CID2148478,,,,,,,,,,,,,,0.0,,,
CCOc1cc(C(=O)Nc2cc(=O)n(C)c(=O)n2C)cc(OCC)c1OCC,CID1222832,,,,,,,,,,0.0,,,0.0,,,,
COc1cccc(C(=O)Nc2cc(=O)n(C)c(=O)n2C)c1,CID873594,,,,0.0,,,,,0.0,,,,0.0,,,,
COc1cccc(C(=O)Nc2cc(=O)n(C)c(=O)n2C)c1OC,CID2148447,,,0.0,,,,,0.0,0.0,,,,0.0,,,,
CCOc1ccccc1C(=O)Nc1cc(=O)n(C)c(=O)n1C,CID2148446,,0.0,0.0,,,,,,0.0,,,,0.0,,,,
CC(C)Oc1ccc(C(=O)Nc2cc(=O)n(C)c(=O)n2C)cc1,CID2148445,,0.0,0.0,,,,,,,,,,,,,,
CCCc1ccc(-c2ccc(F)c(N)c2)nc1,CID837868,,,,0.0,,0.0,0.0,,,,,,,,0.0,,0.0
CCOC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)nc1C,CID4562751,,,,,,,,,,,,0.0,,,,,
CCOc1nc(-c2ccc(Cl)cc2Cl)ccc1C#N,CID3746804,,,,,,,,,,,,,,,0.0,,
COC(=O)c1ccc(-c2ccc(F)cc2)nc1C,CID822971,,,,,,,,,,,,,,,0.0,,
CCCCc1ccc(-c2ccc(Br)cc2)nc1,CID3126214,,,,,,,,,,,,0.0,,,,,
CCCCNc1nc(-c2ccccc2)c(C(=O)OCC)cc1C#N,CID3393240,,,,,,0.0,,,,,,,,,,,
COc1ccc(-c2ncccc2O)cc1,CID843960,,,,,,,,,,0.0,,0.0,,,,,
CCCCCc1ccc(-c2ccc(C(=O)O)cc2)nc1,CID2053671,,,,,,,,,0.0,,0.0,,,,,,
CSc1nc(-c2ccccc2)cc(C)c1C#N,CID710280,,,,,,,,,,,,,,,0.0,,
Cc1cc(-c2ccccc2)nc(N(C)N)c1S(C)(=O)=O,CID1475691,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1cc(C#N)c(SC)nc1-c1ccccc1,CID2745169,,,,,,0.0,,,,,,,,0.0,,,
C=CCNc1nc(-c2ccccc2)c(C(=O)OCC)cc1C#N,CID3841301,,,,,,0.0,,,,,,0.0,,,,,
NC(=O)c1c(C(F)(F)F)cc(-c2ccccc2)nc1NCCO,CID2200195,,,,0.0,,,,,0.0,0.0,,,,,,,
CCCc1ccc(-c2ccc(C(=O)O)cc2)nc1,CID766037,,,,,,,,,0.0,,,,,0.0,,,
CSc1nc(-c2ccccc2)ccc1C(N)=O,CID2215090,,,,,0.0,,,0.0,,,,,,,,,0.0
COc1ccc(-c2ccc(C#N)c(OC)n2)cc1,CID2768879,,,,,,,,,,,,,,0.0,0.0,,
COc1nc(-c2ccccc2Cl)ccc1C#N,CID2768877,,,,,,,,,,,,,,0.0,,,
CCSc1nc(-c2ccc(OC)cc2)ccc1C#N,CID653669,,,,,,,0.0,,,,,0.0,0.0,,,,
CCc1ccc(-c2ccc(C(=O)O)cc2)nc1,CID647467,,,0.0,,,0.0,,,0.0,,,,,,,,
Cc1nc(-c2ccc(Br)cc2)ccc1C(=O)O,CID7285290,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccc(Oc2nc(NC(C)C)nc(SC)n2)cc1,CID753419,,,0.0,,,,0.0,,0.0,,0.0,,0.0,,,,
CCNc1nc(Oc2ccccc2)nc(OC(C)C(=O)OCC)n1,CID657589,,,0.0,,0.0,,,0.0,,,,,,,,,
CN(C)c1nc(Oc2ccc(/C=N/O)cc2)nc(N(C)C)n1,CID705407,,,0.0,,,0.0,,,,,,,,,,,
CCOC(=O)c1ccc(Oc2nc(NC)nc(SC)n2)cc1,CID654452,,,0.0,0.0,,,,0.0,0.0,,,0.0,,,,1.0,
COc1nc(Oc2ccc(C(=O)OCC(N)=O)cc2)nc(N(C)C)n1,CID3243755,,,0.0,,,,,0.0,,,,,,,,,
CCOC(=O)c1ccc(Oc2nc(OC)nc(N(C)C)n2)cc1,CID697670,,,,0.0,,,,,,0.0,,,,0.0,,0.0,
CCNc1nc(Oc2ccc(C(=O)OC)cc2)nc(N(C)C)n1,CID752334,,0.0,0.0,0.0,,,,,,,,,,,,,
CNc1nc(Oc2ccccc2C(=O)OC)nc(SC)n1,CID694923,,0.0,,,,,,0.0,0.0,0.0,,0.0,,,,0.0,0.0
CCNc1nc(OC)nc(Oc2ccc(C(=O)OC)cc2)n1,CID805286,,,,,,,,,0.0,,,,,,,,
COc1nc(Oc2ccc(/C=N/O)cc2)nc(N(C)C)n1,CID4156950,,,,,,,,,0.0,,,,,,,,
COC(=O)c1ccc(Oc2nc(NC(C)C)nc(N(C)C)n2)cc1,CID647596,,0.0,0.0,,,,0.0,,,,,,,,,,0.0
CN(C)c1nc(Oc2ccc(N)cc2)nc(N(C)C)n1,CID656212,,0.0,,0.0,,,,,,,,0.0,,,,,
CCOC(=O)c1ccc(Oc2nc(SC)nc(N(C)C)n2)cc1,CID895539,,,,,,,0.0,,0.0,,,,,,,0.0,0.0
CCNc1nc(Oc2ccc(C(=O)OCC)cc2)nc(SC)n1,CID797071,,0.0,,,,0.0,0.0,,,,,0.0,,,,0.0,
CCOC(=O)c1ccc(Oc2nc(NC)nc(OC)n2)cc1,CID646098,,0.0,,,,,,,0.0,,,,0.0,,,,
CC(C)Nc1nc(NC(C)C)nc(Oc2ccc(/C=N/O)cc2)n1,CID3240270,,,0.0,0.0,,,,,,,,,,,,,
CNc1nc(Oc2ccc(C(=O)OC)cc2)nc(SC)n1,CID750970,,,,,,,,,0.0,0.0,0.0,0.0,,,,,
CCNc1nc(Oc2ccc(C(=O)OC)cc2)nc(SC)n1,CID646307,,,,0.0,,,0.0,0.0,0.0,,0.0,0.0,0.0,,,0.0,0.0
CCNc1nc(N)nc(Oc2ccc(C(=O)OC)cc2)n1,CID969719,,,,,,,,,,0.0,,,,,,,
CCOC(=O)C(C)Oc1nc(Oc2ccccc2)nc(N(C)C)n1,CID659304,,,0.0,,,,,0.0,,,,,,,,,
COCc1nnc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)s1,CID655746,,,,,0.0,,,,,,,,,,,,
CC(C)Cc1nnc(NS(=O)(=O)c2ccc(Cl)cc2)s1,CID697506,,0.0,,,,,,,0.0,,,,,,,,
CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)OC)cc2)s1,CID657909,,0.0,0.0,,0.0,,,,0.0,,,,0.0,,,0.0,
CC(C)(C)Cc1nnc(NS(=O)(=O)c2ccc(F)cc2)s1,CID656064,0.0,,,,0.0,0.0,0.0,,,0.0,,0.0,,,,0.0,
COCc1nnc(NS(=O)(=O)c2ccc(Br)cc2)s1,CID1213361,,,,,,,,,0.0,,,,,,,0.0,
Cc1cc(C)c(S(=O)(=O)Nc2nnc(C)s2)c(C)c1,CID685437,0.0,,,,,0.0,,,0.0,0.0,,,,0.0,,,
COCc1nnc(NS(=O)(=O)c2c(C)cc(C)cc2C)s1,CID750633,,,,,,,,,,0.0,0.0,,,,,,
COc1ccc(S(=O)(=O)Nc2nnc(C)s2)cc1,CID787504,,0.0,,,0.0,0.0,,,,,,,,,,,
Cc1ccc(S(=O)(=O)Nc2nncs2)cc1,CID563671,,0.0,0.0,,,,,,,,,,0.0,,,,
CC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(C(C)(C)C)s2)cc1,CID1164242,,,,,,,,,,0.0,0.0,0.0,,,,,
COc1ccc(S(=O)(=O)Nc2nnc(C(C)(C)C)s2)cc1,CID198956,0.0,,0.0,0.0,,,,,0.0,0.0,,,0.0,,,,
COc1ccc(S(=O)(=O)Nc2nncs2)cc1,CID847124,,0.0,0.0,0.0,0.0,,0.0,,,,,,,,,,
COc1ccc(S(=O)(=O)Nc2nnc(C(C)C)s2)cc1,CID750627,0.0,,0.0,,0.0,,0.0,,0.0,0.0,,,0.0,,,,
Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1,CID5328,0.0,0.0,,,,,,,,,,,0.0,,,,
COCc1nnc(NS(=O)(=O)c2ccc(C)cc2)s1,CID769153,,0.0,,,0.0,,0.0,,,0.0,,,0.0,,,,
COCCSc1nnc(NS(=O)(=O)c2ccc(F)cc2)s1,CID3158261,,,,,,,,,,,,,,,0.0,,
COCc1nnc(NS(=O)(=O)c2ccccc2)s1,CID647119,,0.0,0.0,,0.0,,,,,,,,0.0,,,,
COc1ccc(S(=O)(=O)Nc2nnc(CC(C)C)s2)cc1,CID234310,,,,,,,,,0.0,0.0,,,,,,,
CC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(C(C)C)s2)cc1,CID750640,,,,,,,,,,0.0,,,,,,,
COCc1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1,CID2059071,,,,,,,,,0.0,,,,,,,,
C#CCOc1nc(C)cc(C)c1S(=O)(=O)c1ccccc1C,CID3850575,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)c(S(=O)(=O)c2ccccc2C)c(N(C)C)n1,CID1471064,,,,,,,,,,,,0.0,,,0.0,,
CCCCSc1nc(C)cc(C)c1S(=O)(=O)c1ccccc1C,CID2768948,,,,,,0.0,,,,,,,,0.0,,,
CCCSc1nc(C)cc(C)c1S(=O)(=O)c1ccccc1C,CID2768947,,,,,,0.0,,,,,,,,0.0,,,
CCOc1nc(C)cc(C)c1S(=O)(=O)c1cccc(C)c1,CID1488397,,,,,,,,,,,,,,0.0,,,
COc1nc(N)c(S(=O)(=O)c2ccccc2)cc1C#N,CID1471070,,,,,,,,,,,,0.0,,,,,
COc1nc(N)c(S(=O)(=O)c2ccc(C)cc2)cc1C#N,CID1471071,,,,,,,,,,,,0.0,,,0.0,,
Cc1cc(C)c(S(=O)(=O)c2ccc(Cl)cc2)c(Cl)n1,CID1488385,,,,,,,,,,,,,,,0.0,,
CNc1nc(C)cc(C)c1S(=O)(=O)c1ccc(C)cc1,CID1488727,,,,,,,,,,,,0.0,,,,,
CNc1nc(C)cc(C)c1S(=O)(=O)c1ccc(Cl)cc1,CID1488725,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)c2c(C)cc(C)nc2Cl)c(C)c1,CID1487311,,,,,,,,,,,,,,0.0,0.0,,
Cc1cc(C)c(S(=O)(=O)c2ccccc2)c(N(C)C)n1,CID1484401,,,,,,,,,,,,,,,0.0,,
Cc1cccc(S(=O)(=O)c2c(C)cc(C)nc2Cl)c1,CID1488389,,,,,,,,,,,,,,0.0,0.0,,
Cc1cc(C)c(S(=O)(=O)c2c(C)cccc2C)c(OCC(C)C)n1,CID1488517,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)c(S(=O)(=O)c2c(C)cccc2C)c(Cl)n1,CID1488511,,,,,,,,,,,,0.0,,,,,
CCSc1nc(C)cc(C)c1S(=O)(=O)c1ccccc1C,CID2768958,,,,,,,,,,,,,,,0.0,,
CSc1nc(C)cc(C)c1S(=O)(=O)c1ccccc1C,CID2768956,,,,,,0.0,,,,,,,,0.0,,,
Cc1cc(C)c(S(=O)(=O)c2ccccc2C)c(OCC(C)(C)C)n1,CID2768950,,,,,,,,,,,,,,0.0,0.0,,
CCC(C)Oc1nc(C)cc(C)c1S(=O)(=O)c1ccccc1C,CID2768952,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)c(S(=O)(=O)c2ccccc2)c(Cl)n1,CID1486628,,,,,,,,,,,,0.0,,0.0,,,
COc1ccc(-c2cc(C(F)(F)F)n3nc(C)cc3n2)cc1,CID738352,,,,0.0,0.0,,0.0,,0.0,,,0.0,,,,,0.0
COC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccc(F)cc3)nc12,CID652458,,,,,,,,,,,,,,,,,0.0
Cc1cc(-c2ccccc2)nc2cc(C(N)=O)nn12,CID807561,,0.0,,,,,0.0,0.0,,,,,,0.0,,,
CCOC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccccc3)nc12,CID719983,,,,0.0,0.0,,,,0.0,,,,,,,,
CCOC(=O)c1cnn2c(C)cc(-c3ccccc3)nc12,CID656076,,,,,,,,0.0,0.0,,,,0.0,0.0,,,
COC(=O)c1cc2nc(-c3ccc(OC)c(OC)c3)cc(C(F)(F)F)n2n1,CID1124532,,,,,0.0,,0.0,,,,,,,,,,0.0
NC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccc(F)cc3)nc12,CID646734,0.0,,,,,,,,,,,,,,,,
COC(=O)c1cc2nc(-c3ccc(OC)cc3)cc(C(F)(F)F)n2n1,CID1365409,,,,,0.0,,,,0.0,,,,,,,,0.0
COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)O)cc3n2)cc1OC,CID1046582,,,,,,,,,0.0,,,,,,,,0.0
NC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccccc3)nc12,CID804064,,,,0.0,0.0,,,,0.0,,,,,,,,
O=C(O)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1,CID655493,,,,,,,,,,,,,,,,,0.0
CCOc1ccc(-c2cc(C)n3nc(C(N)=O)cc3n2)cc1,CID726942,,,,,,0.0,,,,,,0.0,,0.0,0.0,,
COc1cc(-c2cc(C(F)(F)F)n3ncc(C(=O)O)c3n2)cc(OC)c1OC,CID659861,,,,,,,,,0.0,,,,,,,,0.0
COc1cccc(-c2cc(C(F)(F)F)n3ncc(C(=O)O)c3n2)c1,CID653953,,,,,,,,,,,,,,,,,0.0
Cc1cc(-c2ccc(F)cc2)nc2cc(C(N)=O)nn12,CID659679,,,,0.0,,,,,,,,0.0,,,,,
CCOC(=O)c1cnn2c(C)cc(-c3ccc(F)cc3)nc12,CID822828,,,,0.0,,,,,,,,0.0,,,,,
COC(=O)c1cc2nc(-c3ccccc3)cc(C)n2n1,CID771929,,0.0,,,,,,,,,,,,,,,
COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)O)c3n2)cc1OC,CID650903,,,,,,,0.0,,0.0,,,,,,,,
O=C(O)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1,CID781426,,,,,,,,,0.0,,,,,,,,0.0
Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)O)c3n2)cc1,CID652330,,,,,,,,,0.0,,,,,,,,0.0
C=CCn1c(O)cc(=O)nc1SCc1ccccc1,CID757795,,,,,,,,,,,,,,,0.0,,
Cc1cc(=O)nc(SCc2cccc(F)c2)[nH]1,CID3762985,,,,,,,,,,0.0,,,,,,,
CCc1c(O)n(C(C)CC)c(SCc2ccccc2)nc1=O,CID2843306,0.0,,,,0.0,,0.0,,,,,0.0,0.0,0.0,,,0.0
Cc1cc(=O)nc(SCc2cccc(Br)c2)[nH]1,CID934530,,,,,,,,,0.0,,0.0,,,0.0,,,0.0
C=CCn1c(O)cc(=O)nc1SCc1c(F)c(F)c(F)c(F)c1F,CID657865,,,,,,,,,0.0,,,,,,,,0.0
COc1ccc(CSc2nc(=O)cc(C)[nH]2)cc1,CID716696,,0.0,,0.0,0.0,,0.0,0.0,,0.0,,,0.0,,,,0.0
Nc1cc(=O)nc(SCc2cccc(Cl)c2)[nH]1,CID662596,,0.0,0.0,,,,,,,,,,,,,,0.0
Cc1cc(=O)nc(SCc2cc(Cl)ccc2OC(F)F)[nH]1,CID2409147,,,,,,,,,,,,,0.0,0.0,,0.0,0.0
CCCc1cc(=O)nc(SCc2cccc(C)c2)[nH]1,CID729966,,,,,,,,,,,0.0,,,0.0,0.0,,
CCCc1cc(=O)nc(SCc2ccccc2Cl)[nH]1,CID729964,,,,,,0.0,,,,0.0,,,,,,,
CCCc1cc(=O)nc(SCc2ccccc2)[nH]1,CID729963,,0.0,,,0.0,,0.0,,,,0.0,0.0,0.0,,,,0.0
CCc1[nH]c(SCc2ccc(F)cc2)nc(=O)c1C#N,CID1234396,,,,,,,,,,0.0,,,,,,,
CCCc1cc(=O)nc(SCc2ccc(Cl)cc2)[nH]1,CID729970,,,,,,,,,,,0.0,,,0.0,,,
CCCc1cc(=O)nc(SCc2ccc(C#N)cc2)[nH]1,CID799571,,,0.0,0.0,0.0,,0.0,,,0.0,,,0.0,,,0.0,0.0
COC(=O)c1cc(=O)nc(SCc2cccc(C)c2)[nH]1,CID5086682,,0.0,0.0,,,,0.0,,,,,,,,,0.0,
CCc1cc(=O)nc(SCc2ccc(C)cc2)[nH]1,CID1485143,,,,,,,,,,,,,,,0.0,,
Cc1[nH]c(SCc2ccc(Br)cc2)nc(=O)c1C,CID963687,0.0,,,,,,,,0.0,,,,,,,0.0,
Cc1[nH]c(SCc2cccc(F)c2)nc(=O)c1C#N,CID3239692,,0.0,,0.0,,0.0,,0.0,,0.0,,,0.0,,,0.0,0.0
CC(=O)c1c(C)cc(C)c(CSc2nc(=O)cc(C)[nH]2)c1C,CID755368,0.0,0.0,,0.0,,,0.0,,,,,,0.0,,,,0.0
COc1ccc(CSc2nc(=O)cc(C)[nH]2)cc1Br,CID972653,0.0,,,,,,0.0,,0.0,,0.0,,,0.0,,0.0,0.0
COc1ccc(C)cc1NC(=O)c1cnc2scc(C)n2c1=O,CID4046983,0.0,0.0,,,0.0,,0.0,0.0,,,,,,0.0,,0.0,
CCOc1ccc(NC(=O)c2cnc3scc(C)n3c2=O)cc1,CID4327076,0.0,0.0,,,0.0,,,,,,,,,,,0.0,
COc1ccc(C)cc1NC(=O)c1cnc2sccn2c1=O,CID3690797,0.0,0.0,,,,,,,,,,,,,,0.0,
COC(=O)c1ccc(NC(=O)c2cnc3scc(C)n3c2=O)cc1,CID3486177,,0.0,,,,,,0.0,,,,,,,,0.0,
COc1ccc(NC(=O)c2cnc3sccn3c2=O)cc1,CID3243832,0.0,0.0,,,,,,,,,,,,,,0.0,
Cc1csc2ncc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(=O)n12,CID3682192,0.0,,,,0.0,,,,,,,,,,,,
CSc1ccccc1NC(=O)c1cnc2scc(C)n2c1=O,CID3255946,0.0,,,,0.0,,,,,,,,,,,,
Cc1csc2ncc(C(=O)Nc3cccc(C(F)(F)F)c3)c(=O)n12,CID3621087,,,,,0.0,,,,,,,,,,,,
Cc1csc2ncc(C(=O)Nc3ccccc3F)c(=O)n12,CID4129119,,,,,,,,0.0,,,,,0.0,,,0.0,
Cc1cccc(NC(=O)c2cnc3sccn3c2=O)c1C,CID4102688,0.0,0.0,,,0.0,,,0.0,,,,,,,,,
Cc1cccc(NC(=O)c2cnc3scc(C)n3c2=O)c1,CID4112639,0.0,0.0,,,,,,0.0,,,,,,,0.0,0.0,
CCN(C(=O)c1cnc2scc(C)n2c1=O)c1ccccc1C,CID3547857,,0.0,0.0,,,,0.0,,,,0.0,,,,,,
Cc1cccc(NC(=O)c2cnc3sccn3c2=O)c1,CID3410516,0.0,0.0,0.0,0.0,,,,0.0,,,,,,,,0.0,
COC(=O)c1ccccc1NC(=O)c1cnc2sccn2c1=O,CID3236721,,,,0.0,,0.0,,,0.0,,,,,,,0.0,0.0
Cc1csc2ncc(C(=O)Nc3ccccc3Cl)c(=O)n12,CID4577121,0.0,,0.0,,0.0,,,,,,,,,,,,
Cc1ccc(NC(=O)c2cnc3scc(C)n3c2=O)c(C)c1,CID4456254,0.0,0.0,0.0,,0.0,,,,,,,,,,,0.0,
CCc1ccccc1NC(=O)c1cnc2scc(C)n2c1=O,CID4174292,0.0,,,,0.0,,,,,,,,,,,0.0,
CCc1ccc(NC(=O)c2cnc3scc(C)n3c2=O)cc1,CID4673121,0.0,0.0,,,0.0,,0.0,,,,,,,,,0.0,
COc1ccc(NC(=O)c2cnc3sccn3c2=O)cc1OC,CID5101925,0.0,0.0,0.0,0.0,,,0.0,0.0,,,,,,,,0.0,
COc1ccc(Cl)cc1NC(=O)c1cnc2sccn2c1=O,CID4197620,0.0,,,,0.0,,0.0,,,,,,,,,,
CCc1ccc(OCCCOc2ccc(C=O)cc2)cc1,CID2219744,,,,,,,,,0.0,,0.0,,,,,,
COc1ccccc1OCCCOc1ccccc1OC,CID2232664,,,,,,0.0,,,,,,,,,,,
CCOc1ccccc1OCCCOc1ccc([N+](=O)[O-])cc1Cl,CID2289051,,,,,,,,,,,,,,0.0,,,
O/N=C/c1ccc(OCC(O)COc2ccc(/C=N/O)cc2)cc1,CID660832,0.0,,,,,,,,0.0,,,,0.0,0.0,,,
COc1cccc(OC)c1OCCCOc1c(OC)cccc1OC,CID2262948,,,0.0,,,0.0,,,,,,,,,,,
CCOc1cccc(OCCCOc2ccccc2)c1,CID2289088,,,,,,,,,,,,0.0,,,,,
COc1cccc(OCCCOc2ccc([N+](=O)[O-])cc2Cl)c1,CID2283178,,,,,,0.0,,,,,,,,,,,
COc1cc(C=O)ccc1OCCCOc1ccc([N+](=O)[O-])cc1,CID2291974,,,,,,,,,,,,,,,0.0,,
CCOc1ccccc1OCCCOc1ccc(C)cc1Cl,CID2285676,,,,,,,,,,,,,,0.0,,,
C=CCc1ccc(OCCCOc2ccc(C)c(C)c2)c(OC)c1,CID2284838,,,,,,,,,,,,0.0,,,,,
CC(=O)N(C)c1ccc(OCC(O)COc2ccc(N(C)C(C)=O)cc2)cc1,CID2140055,,,0.0,,,,0.0,0.0,,,,,,,,,
CCc1ccccc1OCCCOc1ccc(OC)cc1,CID2252022,,,,,,0.0,,,,,,0.0,,,,,
COc1cc(C)ccc1OCCCOc1ccccc1Br,CID2283364,,,,,,,,,,,,0.0,,,,,
C=CCc1ccc(OCCCOc2ccc(C)cc2OC)c(OC)c1,CID2283169,,,,,,,,,,0.0,,0.0,,,,,
COc1ccccc1OCCCOc1ccc([N+](=O)[O-])cc1Cl,CID2283286,,,,,,0.0,,,,,,,,0.0,,,
COc1ccc(OCC(O)COc2ccc(OC)cc2)cc1,CID825822,,,0.0,,,,,0.0,0.0,,,,,,,0.0,
CC(=O)c1ccc(OCC(O)COc2ccc(C(C)=O)cc2)cc1,CID800918,,,0.0,,,,,0.0,,,,,,,,0.0,
COc1cc(C)ccc1OCCCOc1ccccc1Cl,CID2283424,,,,,,,,,,,,,,0.0,,,
COc1cc(C=O)ccc1OCCCOc1ccccc1[N+](=O)[O-],CID2284606,,,,,,,,,,,,,,,0.0,,
COc1ccc(OCC(O)COc2ccc(C(=O)O)cc2)cc1,CID3237292,,,0.0,0.0,,,,0.0,,0.0,,,,,,,
N#CCCCSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1,CID2295879,0.0,0.0,,,0.0,0.0,,,,,0.0,,,0.0,0.0,,0.0
O=C(O)CCSc1nnc(-c2ccccc2)n1-c1ccccc1,CID801986,0.0,0.0,,,0.0,,0.0,0.0,,,,,0.0,0.0,,0.0,
Cc1ccc(C)c(-n2c(SCC(=O)NC(C(=O)O)C(C)C)nnc2-c2cccc(Cl)c2)c1,CID3980280,,,,,,,,,,,,,,,0.0,,
COC(=O)CSc1nnc(-c2ccccc2OC)n1-c1ccc(C)cc1,CID995895,,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2nnc(SCCC(=O)O)n2-c2ccccc2)cc1OC,CID2147825,,,,,,0.0,,,,0.0,0.0,,,,,,
COc1ccc(-n2c(SCC(N)=O)nnc2-c2ccccc2F)cc1,CID666631,0.0,0.0,,,0.0,,,,,,,,,,,0.0,
CCN(CC)C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1,CID665354,0.0,,,0.0,0.0,,0.0,,0.0,,0.0,,,,,,
COc1ccc(OC)c(-n2c(SCC(C)=O)nnc2-c2cccc(S(=O)(=O)N(C)C)c2)c1,CID2078668,,,0.0,,0.0,0.0,,,,,,,0.0,,,,0.0
CCOC(=O)CNC(=O)CSc1nnc(-c2cccc(C)c2)n1-c1ccc(OC)cc1,CID665285,0.0,,,0.0,,0.0,,,,,,,0.0,,,,0.0
C=C(C)CSc1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1-c1cc(OC)ccc1OC,CID2081422,,,,0.0,0.0,,,,,,,,,,,0.0,0.0
Cc1cccc(-c2nnc(SCC#N)n2-c2cccc(Cl)c2)c1,CID647453,0.0,,0.0,,0.0,,,,,,,,,,0.0,,0.0
COc1ccc(-c2nnc(SCCC(=O)O)n2-c2ccccc2)cc1,CID1299483,,,,0.0,0.0,,,,,,,,0.0,,,0.0,0.0
COc1ccc(-n2c(SCCC#N)nnc2-c2cc(Cl)ccc2OC)cc1Cl,CID2612952,0.0,,0.0,,0.0,,,,,,,,0.0,,,,
CCOc1ccccc1-n1c(SCC(N)=O)nnc1-c1ccccc1,CID651371,0.0,0.0,,,0.0,0.0,,,,,0.0,,,,,0.0,0.0
COc1ccccc1-n1c(SCC(N)=O)nnc1-c1ccccc1,CID647107,0.0,0.0,,0.0,0.0,,0.0,,,,,,,,,,
CCCSc1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1-c1cc(OC)ccc1OC,CID2617585,,,0.0,,0.0,,,,,,0.0,,,,,,0.0
CCSc1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1-c1cc(OC)ccc1OC,CID2617582,0.0,0.0,0.0,,0.0,0.0,,,,0.0,0.0,,,,0.0,0.0,0.0
COc1cccc(-c2nnc(SCC(N)=O)n2-c2ccc(Cl)cc2)c1,CID1241872,,,,0.0,0.0,,,,,0.0,,0.0,,,,,
CCNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(OCC)cc1,CID5169816,,,,,,,,,,,,,,,0.0,,
Cc1cccc(-c2nnc(SCC#N)n2-c2ccccc2)c1,CID646051,,,,,,,,,,,0.0,,0.0,,,0.0,
COC(=O)c1sc2ccc(C)cc2c1C(=O)OC,CID1238787,,,,,,,,,0.0,,,,,,,,
O=C(O)Cc1csc2ccccc12,CID70799,,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1c(N)sc2c(OCC)c(Br)ccc12,CID722499,,,,,,,,,0.0,,,,,,,,
COC(=O)c1sc2ccccc2c1C(=O)OC,CID3245763,,,,,,,0.0,,,,,,,,0.0,,
CCOC(=O)c1c(N)sc2c(O)c(Br)ccc12,CID711385,,,,,,,,,,,,,,0.0,,0.0,0.0
COC(=O)CSc1ccc2c(N)c(C(=O)OC)sc2c1,CID729460,,,0.0,,,,0.0,,,0.0,,,0.0,,,,
COC(=O)c1sc2ccccc2c1N,CID874720,,0.0,,0.0,,,0.0,,,,,,,,,,
CCOC(=O)c1c(NC(C)=O)sc2c(O)cccc12,CID671917,,,,,0.0,,,,,,,,0.0,,,,
CCCCNC(=S)NNC(=O)c1csc2ccccc12,CID4677340,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1c(N)sc2c(OC)c(Br)ccc12,CID745784,,,,,,,,,0.0,,,,,,,0.0,0.0
CCCOC(=S)NC(=O)c1sc2ccccc2c1Cl,CID2227579,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1sc2cccc(F)c2c1N,CID715021,,,,,0.0,,,,,,,,,,,,
CCOC(=O)c1sc2cccc(Cl)c2c1N,CID729276,,,,,,,,,,0.0,,,,,,,
CCCCNC(=O)c1cc2ccccc2s1,CID2054449,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1c(N)sc2c(NC(C)=O)cccc12,CID540289,,,,0.0,0.0,,0.0,,,,,,,,,0.0,
CCOC(=O)c1c(NC(C)=O)sc2c(O)c(Br)ccc12,CID1115377,,,,,,,,,0.0,,,,,0.0,,,
CCOC(=O)c1c(NC(C)=O)sc2c(OC)c(Br)ccc12,CID540952,,,,,,,,,0.0,,,,,,,,
CCOC(=O)c1c(NC(C)=O)sc2c(OC)cccc12,CID711023,,,,,,0.0,,,,,,,,,,,
CCOc1ccc2c(O)csc2c1,CID230983,,,0.0,,0.0,,,,,,,,,,,,
CCN(CC)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1,CID1479969,,,,,,0.0,,,,,,0.0,,,,,
COc1ccccc1N(CN1CCCC1=O)C(=O)c1c(F)cccc1F,CID3240211,,,,0.0,,,,,,,,0.0,,,,,0.0
CCOc1ccccc1C(=O)N(CN1CCCC1=O)c1ccc(C)c(Cl)c1,CID3239611,,,0.0,,,0.0,,,,,,,,,,,0.0
O=C1CCCN1CN(C(=O)c1ccccc1)c1ccccc1,CID4405130,,,,,,,,,,,,,,0.0,,,
COc1cccc(C(=O)N(CN2CCCC2=O)c2cccc(Cl)c2)c1,CID3236018,,,0.0,0.0,,0.0,,,,,,,,,,,0.0
COc1ccc(C(=O)N(CN2CCCC2=O)c2ccc(C)cc2)cc1,CID3238425,0.0,0.0,,,,,,,0.0,,,0.0,0.0,,,0.0,0.0
Cc1ccc(N(CN2CCCC2=O)C(=O)c2ccc(C)c(C)c2)cc1,CID3237729,0.0,,,,,,,,0.0,,0.0,0.0,,,,,
Cc1ccc(C(=O)N(CN2CCCC2=O)c2ccc(F)cc2)cc1,CID3240251,0.0,,0.0,,,,,0.0,,,0.0,0.0,,,,,
CCOc1ccccc1C(=O)N(CN1CCCC1=O)c1cccc(Cl)c1,CID3236623,,0.0,0.0,,,0.0,,,,,,,,,,0.0,0.0
Cc1ccc(C(=O)N(CN2CCCC2=O)c2ccccc2)cc1C,CID3242598,0.0,,,0.0,,0.0,,0.0,0.0,,,,,,,,
Cc1ccc(C(=O)N(CN2CCCC2=O)c2ccc(F)cc2)cc1C,CID3244651,,,,,,,,0.0,,,,0.0,,,,,
CC(C)Oc1ccc(C(=O)N(CN2CCCC2=O)c2ccc(F)cc2)cc1,CID3245354,0.0,0.0,,,,,,,,,,,,,,,
COc1cccc(C(=O)N(CN2CCCC2=O)c2cccc(Cl)c2)c1OC,CID3245091,,0.0,0.0,0.0,,,,,,,,,,,0.0,,
Cc1ccc(N(CN2CCCC2=O)C(=O)c2ccc(OC(C)C)cc2)cc1,CID3241633,0.0,,,,,,,,,,,,,,,,
COc1cc(OC)cc(C(=O)N(CN2CCCC2=O)c2ccccc2OC)c1,CID3237337,0.0,,,,,,0.0,,0.0,0.0,,0.0,,,,,
O=C1CCCN1CN(C(=O)c1ccccc1)c1ccc(F)cc1,CID3239563,0.0,,,0.0,,,,,,,,,,,,,
COc1cccc(C(=O)N(CN2CCCC2=O)c2ccccc2OC)c1,CID3238404,,,,,,,,0.0,0.0,,,,,,,,
CCOc1ccc(C(=O)N(CN2CCCC2=O)c2ccc(C)cc2)cc1,CID3240949,0.0,,,0.0,,,,0.0,0.0,,,0.0,,,,0.0,
CCOc1ccc(C(=O)N(CN2CCCC2=O)c2ccccc2)cc1,CID3239846,0.0,,,,,,,,0.0,,,0.0,,,,,
COc1ccccc1C(=O)N(CN1CCCC1=O)c1cccc(Cl)c1,CID3243972,,0.0,,,,,,,,,,,,,,0.0,0.0
COc1ccccc1N(CN1CCCC1=O)C(=O)c1c(F)cccc1Cl,CID3240993,,,0.0,,,,0.0,,,,,,,,,0.0,
COc1cc(C(c2sc3nc(C)nn3c2O)N2CC(C)CC(C)C2)cc(OC)c1OC,CID3636449,,,0.0,,,,,,,,,0.0,,,,,
COC(=O)C1CCN(C(c2ccc(OC)c(OC)c2)c2sc3nc(C)nn3c2O)CC1,CID5058434,,,,,0.0,,,0.0,,,,,,,,,0.0
COC(=O)C1CCN(C(c2cc(OC)c(OC)c(OC)c2)c2sc3nc(C)nn3c2O)CC1,CID4205296,,,,,0.0,,,0.0,,,,,,,,,
CC1CCCN(C(c2ccccc2)c2sc3ncnn3c2O)C1,CID4109909,,,,,,,0.0,,,,,,,,,,
Cc1nc2sc(C(c3ccccc3)N3CCC(O)CC3)c(O)n2n1,CID3239506,,,,,,0.0,,,,,0.0,,,,,,0.0
Cc1nc2sc(C(c3cccc(F)c3)N3CCC(O)CC3)c(O)n2n1,CID3245879,0.0,,,,,0.0,,,,,,,,,,,
Cc1ccc(C(c2sc3ncnn3c2O)N2CCCCC2)cc1,CID4557439,,0.0,,,,,,,,,,,,,,0.0,
CCOC(=O)C1CCN(C(c2cccc(OC)c2)c2sc3nc(C)nn3c2O)CC1,CID4549783,,,,,0.0,,,,,,,,,,,,
Cc1ccc(C(c2sc3ncnn3c2O)N2CC(C)CC(C)C2)cc1,CID3575128,,,,,,,,,,,,,0.0,,0.0,,
COc1ccc(C(c2sc3nc(C)nn3c2O)N2CCCCC2)cc1,CID3322087,0.0,,,,0.0,,0.0,0.0,,,,,,,,0.0,
Oc1c(C(c2ccccc2)N2CCCCC2)sc2ncnn12,CID3543391,0.0,,0.0,0.0,0.0,,,0.0,,,,,,,,,
Cc1nc2sc(C(c3cccc(F)c3)N3CCCC(C)C3)c(O)n2n1,CID3239417,0.0,0.0,0.0,,,,,,,0.0,,,,,,,
Cc1ccc(C(c2sc3ncnn3c2O)N2CCC(C)CC2)cc1,CID3406134,0.0,,,,,,,0.0,,,,,,,,0.0,
COc1ccc(C(c2sc3nc(C)nn3c2O)N2CCC(C(N)=O)CC2)cc1OC,CID4049132,,,,,0.0,,,0.0,,,,,,,,0.0,
COc1ccc(C(c2sc3nc(C)nn3c2O)N2CCC(O)CC2)cc1OC,CID5068602,,,,,0.0,,,,,,,,,,,,
Cc1nc2sc(C(c3cccc(F)c3)N3CCC(C)CC3)c(O)n2n1,CID3235996,,0.0,,,0.0,,0.0,0.0,,0.0,,,,,,0.0,
CCOC(=O)C1CCN(C(c2cc(OC)c(OC)c(OC)c2)c2sc3nc(C)nn3c2O)CC1,CID4205295,,,,,0.0,,,,,,,,,0.0,,,
CCOC(=O)C1CCN(C(c2cccc(F)c2)c2sc3nc(C)nn3c2O)CC1,CID4123700,0.0,0.0,0.0,,0.0,,,,,,,,,,,,
Cc1nc2sc(C(c3cccc(F)c3)N3CCCCC3)c(O)n2n1,CID3240055,0.0,0.0,,,0.0,,,,,0.0,0.0,,0.0,,,0.0,
CCOC(=O)C1CCN(C(c2ccc(OC)c(OC)c2)c2sc3nc(C)nn3c2O)CC1,CID3378036,,,,,0.0,,,,,,0.0,,,,,,0.0
Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)Nc1ccccc1F,CID5308647,,0.0,0.0,,,,,,,,0.0,,,,,,
COc1ccc(OC)c(NC(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)c1,CID5309507,,,,0.0,,,,,,,,,,,0.0,,
Cc1cc(C)cc(NC(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)c1,CID5309683,,,0.0,,,,,,,,,,,0.0,,,
COc1ccc(NC(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)cc1,CID5307377,0.0,0.0,,,,,0.0,,,,,,,,,,
COc1ccc(NC(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)c(OC)c1,CID5309390,,,,,,,,,,,,,,,,,0.0
Cc1ccc(NC(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)cc1,CID5307725,0.0,0.0,,,,,,,,,,,,,,,
CC(=O)c1ccc(NC(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)cc1,CID5308763,,0.0,,,,,,,,,,,,,,0.0,
Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)Nc1ccccc1,CID5307439,0.0,0.0,0.0,,,,,,,,,,,,,,
Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)Nc1cccc(Cl)c1,CID5308916,,,,,,,,,,,0.0,,,,,,
CCOc1ccc(NC(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)cc1,CID5307750,,,,0.0,,,,,,,,,,,,0.0,
COc1ccc(NC(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)cc1OC,CID5309669,,,0.0,,,,,,,0.0,,,0.0,,,,
Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)Nc1cccc(F)c1,CID5308566,,,,0.0,,,,,,,,,0.0,,,,
COc1cccc(NC(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)c1,CID5307257,0.0,,,,,,,,,,,,,,,,
COc1ccccc1NC(=O)CSc1nnc(Cn2c(=O)sc3ccccc32)n1C,CID5307258,0.0,,,,,,,,,,,,,,,,
CCc1ccc(NC(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)cc1,CID5309859,,,0.0,,,,,,,,,,,,,,
CCOc1ccccc1NC(=O)CSc1nnc(Cn2c(=O)sc3ccccc32)n1C,CID5307540,,0.0,,,,,,,,0.0,,,,,,,0.0
Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)Nc1ccc(Cl)cc1,CID5309149,,0.0,,,,,,,,,,,,,,,
Cc1ccc(NC(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)cc1Cl,CID5308323,,,,,,,,,,,,,,,,,0.0
CCOC(=O)c1ccc(NC(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)cc1,CID5308637,,0.0,,,,,,,,,,,0.0,,,,
Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)Nc1ccc(F)cc1,CID5308754,,0.0,0.0,,,,,,,,,,,,,,0.0
CCc1ccc(NC(=O)Cn2cccc2)cc1,CID6619960,,,,,,,,,,,,,,0.0,,,
O=C(Cn1cccc1)Nc1ccc(OC(F)(F)F)cc1,CID3235904,,,,0.0,,,,,0.0,,,,,,,,0.0
Cc1ccc(NC(=O)Cn2cccc2)cc1Cl,CID3244518,,0.0,,,,,,,,,,,,,,0.0,
CSc1cccc(NC(=O)Cn2cccc2)c1,CID3239705,,,0.0,,0.0,,,0.0,,,,,,,,,
COc1ccc(NC(=O)Cn2cccc2)cc1Cl,CID3236864,,0.0,,0.0,,0.0,0.0,,,,,,,,,0.0,0.0
Cc1ccc(NC(=O)Cn2cccc2)c(C)c1,CID9550703,,,,,,,,,,,,,,0.0,,,
Cc1ccc(Cl)cc1NC(=O)Cn1cccc1,CID3237448,0.0,,,0.0,,0.0,,,,0.0,,,,,,0.0,0.0
Cc1c(Cl)cccc1NC(=O)Cn1cccc1,CID3243003,,,,,,,0.0,,,,,,,,,0.0,
Cc1ccc(NC(=O)Cn2cccc2)cc1C,CID3240897,,,,0.0,,,0.0,0.0,,,,,,,,0.0,
Cc1cccc(NC(=O)Cn2cccc2)c1,CID3237481,,,,0.0,,,,,,0.0,,0.0,,,,0.0,
CCOC(=O)c1ccc(NC(=O)Cn2cccc2)cc1,CID3245132,,,,,0.0,,,0.0,,,,,0.0,,,0.0,
Cc1ccc(NC(=O)Cn2cccc2)c(Br)c1,CID3241501,0.0,,,,,,0.0,,0.0,,,0.0,,,,,
O=C(Cn1cccc1)Nc1ccc(F)cc1F,CID3238994,,,,0.0,,,,,,,,,,,,,
CCc1cccc(NC(=O)Cn2cccc2)c1,CID3238705,,,,,,0.0,,,,0.0,,0.0,,,,0.0,
COc1ccc(Cl)cc1NC(=O)Cn1cccc1,CID3239638,0.0,,,0.0,,,,,,0.0,,,,,,0.0,0.0
Cc1ccccc1NC(=O)Cn1cccc1,CID3243600,,,,,,,,0.0,,0.0,,,,,,0.0,
COc1ccc(NC(=O)Cn2cccc2)c(OC)c1,CID3235897,,,,,,,,,,0.0,,0.0,0.0,,,,
COc1ccc(OC)c(NC(=O)Cn2cccc2)c1,CID3244489,,,,,,,0.0,,,,,,,,,,
CCOc1ccc(OCC)c(NC(=O)Cn2cccc2)c1,CID3238091,,,,,0.0,,,,,0.0,,,0.0,,,,
COc1cc(OC)c(NC(=O)Cn2cccc2)cc1Cl,CID3238057,0.0,0.0,,,,,,,,,,0.0,0.0,0.0,,0.0,
CCCOc1ccc(N2C(=O)CC(N3CCN(c4ccccc4OC)CC3)C2=O)cc1,CID3109118,0.0,,,0.0,0.0,,,,0.0,0.0,,,,,,,0.0
O=C1CC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)C(=O)N1c1ccc(F)cc1,CID2839888,,,,,,,0.0,,,,,,,,,,
O=C1CC(N2CCN(c3ccccc3Cl)CC2)C(=O)N1c1cccc(F)c1,CID2950577,0.0,,,,,,,,,,,,0.0,,,,
O=C1CC(N2CCN(c3ccccc3Cl)CC2)C(=O)N1c1ccccc1,CID2877411,,,0.0,,,,,,,0.0,,,0.0,,,,0.0
COc1ccc(N2C(=O)CC(N3CCN(c4ccccc4F)CC3)C2=O)cc1,CID2859028,0.0,0.0,,,,,,0.0,,,,,,,,,
COc1cccc(N2CCN(C3CC(=O)N(c4ccc(C)c(Cl)c4)C3=O)CC2)c1,CID660437,0.0,,,,,,,,,,,,,,,0.0,0.0
O=C1CC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)C(=O)N1c1ccccc1F,CID2867506,,,,,,,,,,,,,,,,,0.0
COc1cccc(N2CCN(C3CC(=O)N(c4ccc(Cl)cc4)C3=O)CC2)c1,CID2936398,0.0,,0.0,,,,,,,,,,0.0,,0.0,,0.0
COc1cccc(N2CCN(C3CC(=O)N(c4ccc(F)c(Cl)c4)C3=O)CC2)c1,CID2951438,0.0,,,,,,,,,,,,0.0,,,,0.0
COC(=O)c1cc(C(=O)OC)cc(N2C(=O)CC(N3CCN(c4ccccc4)CC3)C2=O)c1,CID2947717,,,0.0,,,,0.0,,,,0.0,0.0,,,,,
O=C1CC(N2CCN(c3ccccc3Cl)CC2)C(=O)N1c1ccc(F)cc1,CID3109123,0.0,,,0.0,,0.0,0.0,,,,,,0.0,,,,0.0
Cc1cccc(N2C(=O)CC(N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2=O)c1,CID2832588,0.0,,,,0.0,,,,,,,0.0,,,,,0.0
COC(=O)c1ccc(N2C(=O)CC(N3CCN(c4ccccc4)CC3)C2=O)cc1,CID2866734,,,,,,,,,,,,0.0,,,,,
CCOc1ccc(N2C(=O)CC(N3CCN(c4ccccc4F)CC3)C2=O)cc1,CID2896870,0.0,,,,,,,,,,,,0.0,,,,
O=C1CC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)C(=O)N1c1ccccc1,CID2833563,0.0,,,,0.0,,0.0,,,,,,,,,,0.0
COc1cccc(N2CCN(C3CC(=O)N(c4cccc(Cl)c4)C3=O)CC2)c1,CID661476,0.0,,,,,,,,,,,,,,,,0.0
Cc1cccc(N2C(=O)CC(N3CCN(c4ccccc4)CC3)C2=O)c1,CID2877140,,,,,,,,,,0.0,,,,,,,
COc1cccc(N2CCN(C3CC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)CC2)c1,CID2932287,0.0,,,,,,,,,,,,,,,,
CCCOc1ccc(N2C(=O)CC(N3CCN(c4ccccc4F)CC3)C2=O)cc1,CID3116089,,,,,,,,0.0,,,,,,,,,
CCC(=O)/N=c1\sc2c(C)cc(C)cc2n1CC(=O)OC,CID5310191,,,,,,,,,,,0.0,,,,,,
CC(=O)/N=c1\sc2cc(C)ccc2n1C,CID2312317,,,,,0.0,,0.0,,,,,0.0,,,,,
CCOC(=O)Cn1/c(=N/C(=O)CSC(C)=O)sc2cc(F)ccc21,CID3604296,,,,,,,,,,0.0,,,,,,,
CCC(=O)/N=c1\sc2cc(F)cc(F)c2n1C,CID2151113,,,,0.0,,,,,,,,,,,,,0.0
CC(C)C(=O)/N=c1\sc2cc(F)cc(F)c2n1C,CID2151116,,,,0.0,,,,,,,,,,,,,0.0
COCCn1/c(=N/C(=O)C(C)(C)C)sc2cc([N+](=O)[O-])ccc21,CID4550100,,,,,,,,,,,,,,0.0,,,
CCn1/c(=N/C(=O)CSC(C)=O)sc2cc(OC)ccc21,CID4169670,,,,,,,,,,,,,,,,,0.0
COCCn1/c(=N/C(=O)CSC(C)=O)sc2cc(F)ccc21,CID3244663,,,,,,,,,,,,,0.0,,,,
COc1ccc(C)c2s/c(=N\C(=O)C(C)C)n(C)c12,CID2150950,,,,,,,,,,,,,,,,,0.0
COc1ccc(OC)c2c1s/c(=N\C(=O)C(C)C)n2C,CID2150951,,,,,,,0.0,,,,,,,0.0,,,
COCCn1/c(=N/C(=O)CSC(C)=O)sc2cc(OC)ccc21,CID3602823,,,,,0.0,,0.0,,,,,,,,,,
C#CCn1/c(=N/C(=O)CSC(C)=O)sc2cc(F)ccc21,CID3490356,,,,,,,,,,,,,,,0.0,,
COC(=O)Cn1/c(=N/C(=O)CSC(C)=O)sc2ccccc21,CID3485668,,,,,0.0,,,,,,,,,,,,0.0
COc1ccc(OC)c2c1s/c(=N\C(=O)C(C)(C)C)n2C,CID2150961,,,,,,,,0.0,,,,,,,,,
CCCCC(=O)/N=c1\sc2cc(S(C)(=O)=O)ccc2n1C,CID3241787,0.0,,,,,,,,,0.0,,,0.0,,,,
CC(=O)/N=c1\sc2ccccc2n1C,CID656374,,,,,0.0,,,,,,,,,,,,
CCOC(=O)Cn1/c(=N/C(=O)CSC(C)=O)sc2cc(OC)ccc21,CID3245289,,,,,0.0,,,,,,0.0,,,,0.0,,
CCOC(=O)Cn1/c(=N/C(=O)CSC(C)=O)sc2ccccc21,CID4674565,,,,,0.0,,,,,,,,0.0,,,,
CCn1/c(=N/C(=O)CSC(C)=O)sc2ccccc21,CID3237316,,0.0,0.0,,,,,,,0.0,,,0.0,,,,
CCn1ccc(C(=O)Nc2ccc(N(C)C(C)=O)cc2)n1,CID3238912,,,,,,,,,0.0,,,0.0,,,,,
CCn1cc(Br)c(C(=O)Nc2cccc(Cl)c2)n1,CID973637,,,,,,,,,,,,,,,0.0,0.0,
CCn1cc(Br)c(C(=O)Nc2ccc(F)c(Cl)c2)n1,CID755380,,,,,,,,,,,,,,,,0.0,
COc1cccc(NC(=O)c2nn(C)cc2Br)c1,CID708257,,,,,,,,,0.0,,0.0,,,,,,
CCn1cc(Cl)c(C(=O)Nc2ccccc2C(N)=O)n1,CID1511748,,,,,,,,,,,,,,,0.0,,
COc1cccc(NC(=O)c2ccn(C)n2)c1,CID903366,,,,,,,,,0.0,,,0.0,,,,,
CCOC(=O)c1ccc(NC(=O)c2nn(C)cc2Br)cc1,CID1034986,,,,,,,,,0.0,,,,,,,0.0,0.0
COC(=O)n1ccc(C(=O)Nc2ccccc2F)n1,CID712135,,,0.0,,,,,,,,,,,0.0,,,
Cc1ccc(NC(=O)c2ccn(C)n2)c(Br)c1,CID832004,,,,,,,,,,,,,,,0.0,,
COc1ccccc1NC(=O)c1nn(C)cc1Br,CID604548,,,,,,,,,0.0,,,0.0,,,,,
CCCCOC(=O)n1ccc(C(=O)Nc2ccccc2OC)n1,CID654121,,,0.0,,0.0,,,0.0,0.0,,,,0.0,,,,
CCn1cc(Br)c(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)n1,CID1226242,0.0,,,,,,,,0.0,,,0.0,,,0.0,0.0,0.0
CCOC(=O)c1ccc(NC(=O)c2nn(CC)cc2Br)cc1,CID1301789,0.0,,,,,,0.0,,0.0,,0.0,0.0,,,,0.0,0.0
CCOc1ccc(NC(=O)c2nn(C)cc2Br)cc1,CID659584,0.0,,,,,,,,,,0.0,0.0,,,,,0.0
CCOC(=O)c1cc(C(=O)Nc2cccc(C)c2)nn1C,CID843036,,,,,,0.0,,,,,,,,,0.0,,
CCOC(=O)n1ccc(C(=O)Nc2ccccc2F)n1,CID754455,,,,,,0.0,,0.0,,,,,,,,,
CCn1cc(Br)c(C(=O)Nc2cccc(SC)c2)n1,CID973638,0.0,,,,,,,,0.0,,0.0,,,,,0.0,0.0
CCn1cc(Br)c(C(=O)Nc2ccc(OC)cc2)n1,CID973635,0.0,,,,,,,,0.0,,,,,,0.0,0.0,0.0
CCCCOC(=O)c1ccc(NC(=O)c2nn(C)cc2Br)cc1,CID3641535,,,,,,,,,,,0.0,,,,,,
CCOC(=O)CNC(=O)Cn1c(C)cc2ccccc2c1=O,CID3244302,,,,,,0.0,,,,,,,,,,0.0,
CCN(CC)C(=O)c1cn(C)c(=O)c2cc(OC)c(OC)cc12,CID3243016,,,,,,,,,,,,,,,0.0,,
COC(=O)CNC(=O)Cn1ccc2ccccc2c1=O,CID3238918,,,,,,0.0,,0.0,,,,,,,,0.0,
O=c1[nH]ccc2c(O)cccc12,CID1340,,,,,,,,0.0,,,,,,,,,
COCCNC(=O)c1cn(C)c(=O)c2cc(OC)c(OC)cc12,CID3238073,,,,,,,,,,,,,0.0,,,,
O=c1[nH]ccc2c([N+](=O)[O-])cccc12,CID231378,,,,,,,,,,,,,,,0.0,,
CCC(C)NC(=O)c1cn(C)c(=O)c2cc(OC)c(OC)cc12,CID3237047,,,,,,,,,,,,,,,0.0,,
COc1cc2c(C(=O)NCCCOC(C)C)cn(CC(C)C)c(=O)c2cc1OC,CID3240919,,,0.0,0.0,,,,0.0,,0.0,,,,,,,
CCn1cc(C(=O)NCC(=O)OC)c2cc(OC)c(OC)cc2c1=O,CID3238312,,0.0,,,,0.0,,,,,,,,,,,
CCN(CC)C(=O)c1cn(CC)c(=O)c2cc(OC)c(OC)cc12,CID3238945,,0.0,,,,,,,,,,,0.0,,,,0.0
CCOC(=O)CNC(=O)c1cn(CC(C)C)c(=O)c2cc(OC)c(OC)cc12,CID3236456,,,0.0,,,,,,,,,,,,0.0,0.0,
CCn1cc(C(=O)NCCCOC)c2cc(OC)c(OC)cc2c1=O,CID3243541,,,,,,,,,,,,,,0.0,0.0,,
CCOCCCNC(=O)c1cn(C)c(=O)c2cc(OC)c(OC)cc12,CID3243033,,0.0,,,,,0.0,,,,,,,0.0,,,
CCOCCCNC(=O)c1cn(CC(C)C)c(=O)c2cc(OC)c(OC)cc12,CID5307982,,,,,,,,,,,,,0.0,,,0.0,
CCOC(=O)CNC(=O)c1cn(CC)c(=O)c2cc(OC)c(OC)cc12,CID3240364,,,0.0,,,,,,,,,,,0.0,,,
COC(=O)CNC(=O)c1cn(CC(C)C)c(=O)c2cc(OC)c(OC)cc12,CID3242525,,,0.0,,,,0.0,,,,,,,,,,
CCn1cc(C(=O)NCCCOC(C)C)c2cc(OC)c(OC)cc2c1=O,CID3239740,,,0.0,,,,,0.0,,,,,,,,,
COCCCNC(=O)c1cn(C)c(=O)c2cc(OC)c(OC)cc12,CID3245024,,,,,,0.0,,,,,,,,,,,
CCC(C)NC(=O)CNC(=O)Cn1c(C)cc2ccccc2c1=O,CID3239609,,,0.0,,,,,,,,,,,,,,
CCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1cccc(OC)c1,CID664073,0.0,,,,0.0,,,0.0,0.0,,,0.0,,,,,
CCOc1ccc2[nH]c(=O)c(CN(CCO)C(=O)c3ccc(Br)cc3)cc2c1,CID651065,0.0,,,,,,0.0,,,,,0.0,,,,0.0,0.0
CCOc1cc(C(=O)N(C)Cc2cc3cc(OC)ccc3[nH]c2=O)cc(OCC)c1OCC,CID665245,,,,,,,,,,0.0,,,,,,,
CCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1cccc(OC)c1,CID665246,,0.0,,,0.0,,0.0,,0.0,,,0.0,0.0,,0.0,,
CCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1cccc(OC)c1,CID664253,0.0,,,,0.0,,,,,,,,,,,,
CCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1ccccc1OC,CID664354,,,0.0,,0.0,,,,0.0,,,,0.0,,,,
COc1cc(C(=O)N(CCCO)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc(OC)c1OC,CID653815,,,,,,0.0,,0.0,,,,,,,,,
CCOc1ccc2[nH]c(=O)c(CN(CCO)C(=O)c3ccc(F)cc3)cc2c1,CID646721,,,,,,0.0,,0.0,,,,,,,,,
COCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1ccccc1,CID666203,,,,,0.0,,,,0.0,,,0.0,,,,,0.0
CCOc1cc(C(=O)N(C)Cc2cc3ccccc3[nH]c2=O)cc(OCC)c1OCC,CID665151,,,,,,,,,,0.0,,,,,,,
COCCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccccc1OC,CID666495,,,0.0,,,,,0.0,,0.0,,,,,,,0.0
COc1cc(OC)cc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)C(C)C)c1,CID664731,0.0,,,,,,,,0.0,0.0,,,,,,,0.0
CCOc1ccc2[nH]c(=O)c(CN(CCO)C(=O)c3ccccc3F)cc2c1,CID655502,0.0,,0.0,,,,,,,,,,0.0,0.0,,,
COc1ccc2[nH]c(=O)c(CN(CCO)C(=O)c3ccccc3F)cc2c1,CID652551,,,0.0,,,,,,,,,,0.0,,,,
COc1ccc2cc(CN(CCO)C(=O)c3ccc(Br)cc3)c(=O)[nH]c2c1,CID646985,0.0,,,,,,0.0,,0.0,,0.0,0.0,,,0.0,0.0,0.0
COc1cccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)C(C)C)c1,CID664397,0.0,,,,0.0,,,0.0,0.0,,,,,,,,
COc1ccc(C(=O)N(CCCO)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1OC,CID644971,,,,,,,,,,0.0,,0.0,,,,,
CCOc1ccccc1C(=O)N(C)Cc1cc2ccccc2[nH]c1=O,CID665097,0.0,,0.0,,0.0,,,,0.0,,0.0,,0.0,,,,
CCOc1ccccc1C(=O)N(C)Cc1cc2cc(OC)ccc2[nH]c1=O,CID664471,0.0,,,,,,,,0.0,,,0.0,,,,,0.0
CCCc1cc(C(=O)Cc2ccc(F)cc2)c(O)cc1O,CID657741,,,,0.0,,,,,,0.0,0.0,,,,,,
O=C(Cc1c(F)cccc1Cl)c1ccc(O)cc1O,CID800932,,,,,,,,,,,,,0.0,,,,0.0
CN(C)c1ccc(C(=O)C(O)c2ccccc2)cc1,CID95446,,,,,,,,,0.0,,,,,,,,
COc1ccccc1C(=O)C(O)c1ccccc1OC,CID95651,,,,,,,,,0.0,,,,,0.0,,0.0,
COc1ccc(CC(=O)c2c(O)cc(O)cc2O)cc1OC,CID804849,,,,,,,,,,0.0,,,,,,,
COc1ccc(CC(=O)c2ccc(OC)c(OC)c2)cc1,CID822800,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)Cc2ccc(OC)c(OC)c2)cc1,CID767168,,,,,,0.0,,,0.0,,0.0,,,,,,
O=C(Cc1ccc(F)cc1)c1ccc(O)cc1O,CID2063467,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(=O)Cc2ccc(OC)c(OC)c2)c(OC)c1,CID873120,,,,,,,,,0.0,,,,,0.0,,,
COc1ccc(CC(=O)c2ccc(OC)c(OC)c2)cc1OC,CID231111,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(=O)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])cc1,CID867673,,,,,,0.0,,,,,,,,,,,
COc1ccc(CC(=O)c2ccc(O)cc2O)cc1OC,CID689038,,,,,0.0,,,0.0,,,,,,,,,0.0
COc1ccc(CC(=O)c2cc(OC)c(OC)cc2CC(=O)O)cc1OC,CID213713,,,,,,,0.0,0.0,,,,,,,,,
CCC(C(=O)c1ccc(O)cc1)c1ccccc1,CID227278,,,,,,,0.0,,,,,,,,,0.0,0.0
O=C(O)c1cccc(C(=O)Cc2ccccc2)c1,CID4339188,,,,,,,,,,,,,0.0,,,,
CCc1cc(C(=O)Cc2ccc(F)cc2)c(O)cc1O,CID797333,,,,,,,0.0,,,,,,0.0,,,,0.0
CN(C)c1ccc(C(=O)C(O)c2ccc(C(C)(C)C)cc2)cc1,CID2847489,,,0.0,0.0,,,,,,,,0.0,,,,,
O=C(Cc1ccc(Br)cc1)c1ccc(O)cc1O,CID2063466,0.0,,,,,,,,,,,0.0,,,,,0.0
COc1ccc(CC(=O)c2ccccc2C(=O)O)cc1,CID2312601,,,,,,0.0,,0.0,0.0,,0.0,,0.0,,,,
Cc1cc(=O)n2[nH]cnc2n1,CID75629,,0.0,0.0,0.0,,,,,,,,,,,0.0,,
CCOC(=O)c1cnc2nc(C)[nH]n2c1=O,CID1508831,,0.0,,,,,,,0.0,,0.0,,0.0,,,,
CCCc1cc(=O)n2[nH]cnc2n1,CID666963,,0.0,,0.0,,,,0.0,,,,0.0,0.0,,,,
Cc1nc2nc[nH]n2c(=O)c1NS(C)(=O)=O,CID650629,,,,0.0,,,,,,,,,0.0,,,,
COC(=O)Cc1cc(=O)n2[nH]c(SC)nc2n1,CID1474397,,,,,,,,,,,,0.0,,,,,
CC(=O)OCCc1c(C)nc2nc[nH]n2c1=O,CID1477966,,,,,,,,,0.0,0.0,,,,,0.0,,
Cc1nc2nc[nH]n2c(=O)c1CCC(C)C,CID666195,,0.0,0.0,,,,,,,,,0.0,0.0,,,,
COCc1cc(=O)n2[nH]c(SC)nc2n1,CID667126,,0.0,,0.0,,,,,,,,,,,,0.0,
COC(=O)Cc1cc(=O)n2[nH]c(C(F)(F)F)nc2n1,CID1849071,,,,,,,,,0.0,,,,,,,,
COC(=O)Cc1cc(=O)n2[nH]c(C)nc2n1,CID666935,,0.0,,0.0,,,,,0.0,0.0,,,,,,,
COCc1cc(=O)n2[nH]c(C(F)(F)F)nc2n1,CID1971867,,,,,,,,,0.0,,,,,,,,
COC(=O)Cc1c(C)nc2nc[nH]n2c1=O,CID666837,,0.0,0.0,0.0,,,,0.0,,0.0,,,,,,,
COC(=O)Cc1cc(=O)n2[nH]cnc2n1,CID1472814,,,,,,,,,0.0,,,,,,,,
CCOC(=O)c1cnc2nc(C(F)(F)F)[nH]n2c1=O,CID1377800,,,,,,,,,0.0,,,,,,,,
CCOC(=O)c1cnc2nc[nH]n2c1=O,CID261502,,,,,,,,,0.0,,,,,,,,
COCc1cc(=O)n2[nH]c(C)nc2n1,CID667053,,,,0.0,,,,,,,,,,,,,
CCCc1cc(=O)n2[nH]c(C)nc2n1,CID666943,,,,0.0,,,,0.0,,,,0.0,0.0,,,,
CCOC(=O)c1nc2nc(C)cc(=O)n2[nH]1,CID91851,,0.0,,0.0,,,,,0.0,,0.0,,,,,,
CCOC(=O)c1nc2nc(C)c(Cl)c(=O)n2[nH]1,CID661976,,0.0,,,,,,,,,,,,,,,
COC(=O)c1cc(OC)c(OC)cc1NC(=O)CSc1nnc(-c2cccnc2)n1C,CID1503137,,,0.0,,,,0.0,,0.0,,,,,,,0.0,0.0
Cn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1cccnc1,CID1265808,0.0,,,,0.0,,,,,0.0,0.0,,,,,,0.0
C=CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1cccnc1,CID3235796,,0.0,0.0,,0.0,0.0,,,,,0.0,,,,,0.0,
CCOC(=O)c1cccc(NC(=O)CSc2nnc(-c3cccnc3)n2CC)c1,CID646720,0.0,,,,,,,0.0,,,0.0,,,,,0.0,0.0
Nn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1cccnc1,CID663413,0.0,0.0,,,0.0,,,,,0.0,0.0,,,,,0.0,
CCn1c(SCC(=O)Nc2cc(NC(C)=O)ccc2OC)nnc1-c1cccnc1,CID1264904,,0.0,0.0,,,,,,,,0.0,,,,,0.0,
Cn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cccnc1,CID714819,0.0,0.0,,,0.0,,,,,0.0,,,,,,,
Nn1c(SCC(=O)Nc2ccccc2F)nnc1-c1cccnc1,CID931808,0.0,,0.0,0.0,,,,,,0.0,,,,,0.0,,
COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1N,CID2388246,,,,,,,,,,,,,,,0.0,,
Cn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1cccnc1,CID718129,0.0,,,,0.0,,,0.0,,0.0,0.0,,,,,0.0,
C=CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1cccnc1,CID2006932,0.0,,0.0,,0.0,,,,,,,,,,,0.0,
CCOC(=O)c1cccc(NC(=O)CSc2nnc(-c3cccnc3)n2C)c1,CID652613,,,,,,,,,,,,,0.0,,,0.0,
C=CCn1c(SCC(=O)Nc2cc(NC(C)=O)ccc2OC)nnc1-c1cccnc1,CID663195,,0.0,,0.0,,,,0.0,,,0.0,,,,,0.0,
Nn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1cccnc1,CID934277,0.0,,,0.0,,,,,,,0.0,,,,,0.0,
CCCn1c(SCC(=O)Nc2cccc(C(=O)OC)c2)nnc1-c1cccnc1,CID648067,0.0,0.0,,,,,,,0.0,,0.0,,,,,0.0,
Nn1c(SCC(=O)Nc2ccccc2)nnc1-c1cccnc1,CID2390538,,0.0,,,,,,,,,0.0,,0.0,,,0.0,
COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1C,CID3137390,,,,,,,,,,,0.0,,,,,,
Cn1c(SCC(=O)Nc2ccccc2F)nnc1-c1cccnc1,CID714814,0.0,0.0,,,0.0,,,,,,,,,,,0.0,
COc1ccc(NC(C)=O)cc1NC(=O)CSc1nnc(-c2cccnc2)n1C,CID662728,,0.0,,,,,,,,,,,0.0,,,0.0,0.0
COc1cccc(C2=NOC(C(=O)Nc3cccc(C(C)=O)c3)C2)c1,CID3244490,,,,0.0,,,,,,,,,,,,,
COc1cccc(C2=NOC(C(=O)Nc3ccc(C(C)=O)cc3)C2)c1,CID3240978,0.0,,,,,,,0.0,,0.0,,,,,,,
Cc1ccc(NC(=O)C2CC(c3ccc(F)cc3)=NO2)cc1,CID3236938,,0.0,,0.0,,0.0,,0.0,,,,0.0,,,,,
COc1ccc(NC(=O)C2CC(c3cc(OC)c(OC)c(OC)c3)=NO2)cc1OC,CID3237772,,,0.0,,,0.0,0.0,0.0,0.0,,,,0.0,,,,
COc1cccc(C2=NOC(C(=O)Nc3ccccc3SC)C2)c1,CID9550197,,,,,,,,,,,0.0,,,,,,
COc1ccc(C2=NOC(C(=O)Nc3ccc(C(C)=O)cc3)C2)cc1OC,CID3241165,0.0,,,,0.0,,,,0.0,0.0,,,,,,,
COc1cc(C2=NOC(C(=O)Nc3ccc(C)cc3)C2)cc(OC)c1OC,CID3238376,,,,,,,,,0.0,0.0,,,0.0,,,0.0,0.0
COc1ccc(C2=NOC(C(=O)Nc3cc(Br)ccc3O)C2)cc1OC,CID3243308,0.0,,,,,,,,0.0,,,,,,,,0.0
COc1cc(NC(=O)C2CC(c3cccc(OC)c3OC)=NO2)cc(OC)c1OC,CID3239708,,,0.0,,,,,0.0,,,,0.0,,,,,
COc1cccc(C2=NOC(C(=O)Nc3ccc(OC)c(OC)c3)C2)c1,CID3241493,0.0,,,0.0,,0.0,,,,,0.0,,,,,,
COc1ccc(OC)c(C2=NOC(C(=O)Nc3cccc(C(C)=O)c3)C2)c1,CID3243376,0.0,,,0.0,0.0,0.0,,,0.0,,,,,,,,
CC(=O)c1ccc(NC(=O)C2CC(c3ccc(F)cc3)=NO2)cc1,CID3236317,,,,,,,,0.0,,,,,0.0,,,,
N#Cc1ccc(NC(=O)C2CC(c3ccc(F)cc3)=NO2)cc1,CID3243409,,,,,,,0.0,0.0,,,,,0.0,,,,0.0
CC(=O)c1cccc(NC(=O)C2CC(c3ccc(F)cc3)=NO2)c1,CID9551501,,,,,,0.0,,,,,,,,,0.0,,
COc1ccc(NC(=O)C2CC(c3ccc(OC)c(OC)c3)=NO2)cc1OC,CID3242045,0.0,,,0.0,,,,,0.0,0.0,,0.0,,,,,
Cc1ccc(O)c(NC(=O)C2CC(c3c(F)cccc3Cl)=NO2)c1,CID648817,,,0.0,,,,0.0,,,,,,,,,,0.0
COc1cccc(C2=NOC(C(=O)Nc3cccc(C(C)=O)c3)C2)c1OC,CID3241857,,,,,0.0,,,,0.0,,,,,,,,
COc1ccc(C2=NOC(C(=O)Nc3ccc(C)cc3)C2)cc1OC,CID3245417,0.0,0.0,,,,,,,,,,,,,,,
COc1cccc(C2=NOC(C(=O)Nc3cc(OC)c(OC)c(OC)c3)C2)c1,CID3242979,,,,,,0.0,,0.0,0.0,,0.0,,,,,,
COc1ccc(C2C(C#N)=C(N)OC(C(C)(C)C)=C2C#N)cc1OC,CID660287,0.0,,,0.0,,,,,0.0,,0.0,,,,0.0,0.0,
CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccc(OC)c(C)c1OC,CID2839086,0.0,,,0.0,0.0,,,,,,,0.0,,,0.0,,
CC(=O)C1=C(C)OC(N)=C(C#N)C1c1cccc([N+](=O)[O-])c1,CID3125006,,,,,,,,,,,,,,,0.0,,
CCC1=C(C(=O)OC)C(c2cc(OC)ccc2OC)C(C#N)=C(N)O1,CID660004,0.0,,,,0.0,,,,,,0.0,,,,,,
COc1cccc(C2C(C#N)=C(N)OC(C(C)(C)C)=C2C#N)c1,CID660247,0.0,,,0.0,,,,0.0,0.0,,,,,,,0.0,
COC(=O)CC1=C(C(=O)OC)C(c2cccc(OCC(N)=O)c2)C(C#N)=C(N)O1,CID660923,,,,,0.0,,,,,,,,,,,,
C=CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccc(F)cc1,CID3238865,,,,0.0,,0.0,0.0,,,,,,,,,,
COC(=O)C1=C(C)OC(N)=C(C#N)C1c1cc(OC)c(OCC(N)=O)cc1Cl,CID646731,,,,,,,,,,,,,0.0,,,,
CCOc1cc(C2C(C#N)=C(N)OC(C)=C2C(C)=O)cc(Br)c1O,CID2943646,0.0,,,,,,,,,,,0.0,,,,0.0,0.0
CCOC(=O)C1=C(NC#N)OC(C)=C(C)C1c1ccc(O)cc1,CID660044,,,0.0,0.0,0.0,,0.0,,0.0,,,0.0,0.0,,,,0.0
CCOC(=O)CC1=C(C(=O)OCC)C(c2cc(OC)c(OC)cc2OC)C(C#N)=C(N)O1,CID658544,,,,,,,,0.0,,,,,,,,,
CCOC(=O)C1=C(CC)OC(N)=C(C#N)C1c1cc(OC)ccc1OC,CID2838941,0.0,,,0.0,0.0,,,,,,,,0.0,,,0.0,0.0
COC(=O)C1=C(C)OC(N)=C(C#N)C1c1cc(OC)ccc1OC,CID3240776,0.0,,0.0,,0.0,,0.0,,,,,0.0,,,,,
CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1cc(F)ccc1F,CID3470882,,,,,,,,,,,0.0,,,,,,
CCOC(=O)CC1=C(C(=O)OCC)C(c2ccc(OC)c(OC)c2)C(C#N)=C(N)O1,CID658346,,,,,0.0,,,,,,,,,,,,
C=CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccccc1F,CID3237017,,,,0.0,,,,,,,0.0,,0.0,,,,
COC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccccc1,CID648354,0.0,,,,0.0,,0.0,,,0.0,,,,,,,
CCOC(=O)CC1=C(C(=O)OCC)C(c2ccc(OC)cc2OC)C(C#N)=C(N)O1,CID2866174,,,,,0.0,,,,,,,,,,,,
COC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccc(OC)c(OC)c1OC,CID660133,0.0,,,,0.0,,,,,,,,,,,,
CCOC(=O)C1CCN(c2ncnc3c2cnn3-c2ccc(OC)cc2)CC1,CID661151,0.0,0.0,,,,,,,,,,,,,,,
COc1ccc(-n2ncc3c(N4CCC(C(N)=O)CC4)ncnc32)cc1,CID661360,,,,,,,0.0,,,,,,,,,,
CCOC(=O)C1CCN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)CC1,CID661082,0.0,,1.0,,,,0.0,,,,,,,,,,
CC1CCCN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)C1,CID3554231,0.0,0.0,,,,,,,,,,,,,,,
COc1ccc(-n2ncc3c(N4CCCCC4)ncnc32)cc1,CID866503,,0.0,,0.0,,,,,,,,,,,0.0,,
CC1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1,CID940153,,,,0.0,,,,,,,,,,,,,
CC1CCCN(c2ncnc3c2cnn3-c2ccccc2)C1,CID3722217,,0.0,,,,,,0.0,,,,,,,,,
CCN(CC)C(=O)C1CCCN(c2ncnc3c2cnn3-c2cccc(C)c2)C1,CID2998236,,,,,,0.0,,,,,,,0.0,0.0,,,
CCOC(=O)C1CCCN(c2ncnc3c2cnn3-c2ccc(OC)cc2)C1,CID3238601,,,,,,,,0.0,,,,,,,,,
c1ccc(-n2ncc3c(N4CCCCC4)ncnc32)cc1,CID724753,,0.0,,,,0.0,,,,,,,0.0,,,,
CCOC(=O)C1CCCN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)C1,CID2937693,,,0.0,,,,,,,,,,0.0,,,,
CCN(CC)C(=O)C1CCN(c2ncnc3c2cnn3-c2ccc(C)cc2C)CC1,CID661165,,,,,,,0.0,,,,,,,,0.0,,
CCOC(=O)C1CCCN(c2ncnc3c2cnn3-c2cccc(C)c2)C1,CID3239115,,0.0,,,,,,0.0,0.0,,,,,,,,
CCOC(=O)C1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1,CID1078543,0.0,,0.0,,,,0.0,0.0,,,0.0,,,,,,
Cc1ccc(-n2ncc3c(N4CCC(C(N)=O)CC4)ncnc32)c(C)c1,CID661194,,0.0,0.0,0.0,,,0.0,,,,,,,,,,0.0
Cc1cccc(-n2ncc3c(N4CC(C)CC(C)C4)ncnc32)c1,CID3709075,0.0,,,,,0.0,,,0.0,,,,,,,,0.0
CC1CC(C)CN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)C1,CID3578502,0.0,0.0,,,,,,,,,,,,,,0.0,
Cc1cccc(-n2ncc3c(N4CCC(C)CC4)ncnc32)c1,CID940134,,,0.0,,,0.0,,0.0,,,,0.0,,,,,
COc1ccc(-n2ncc3c(N4CCC(C)CC4)ncnc32)cc1,CID935742,,0.0,,0.0,,,,,,,,,,,,,0.0
CCN(CC)Cc1c(O)ccc2c(-c3ccccc3)cc(=O)oc12,CID5310902,,,,,,0.0,,,,,,,,,,0.0,0.0
COc1ccc(-c2cc(=O)oc3cc(OC(C)C(=O)O)ccc23)cc1,CID2898109,,,,,,0.0,,,,,,,,,,,
O=C(O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1,CID655981,,,,,,,,0.0,0.0,,,,,,,,
CCOC(=O)C(C)Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1CC,CID2888212,,,,,,0.0,,,,,,,,,,,
Cc1cc(O)c2c(-c3ccccc3)cc(=O)oc2c1,CID5729690,,,0.0,,,,0.0,,,0.0,,,,,,,
CC(C)OC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1,CID701625,,,,,,0.0,,,,,,,,,,,
CC(=O)COc1ccc2c(-c3cccc([N+](=O)[O-])c3)cc(=O)oc2c1,CID889102,,,,,,,,,,,,,,,0.0,,
CCOCCOC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1,CID1569493,,,,,,,,,,,,,,,0.0,,
COc1ccc(-c2cc(=O)oc3cc(OCC(C)=O)ccc23)cc1,CID885389,,,,,,,,,,,,,,0.0,,,
Cc1cc(OCC(=O)N(C)C)c2c(-c3ccccc3)cc(=O)oc2c1,CID788724,0.0,,,,,,0.0,,,0.0,,,,,0.0,,
Cc1cc(OC(C)C)c2c(-c3ccccc3)cc(=O)oc2c1,CID886537,,,,,,,,,,,0.0,,,,,,
Cc1cc(OCC(=O)OC(C)C)c2c(-c3ccccc3)cc(=O)oc2c1,CID2888651,,,,,,0.0,,,,,,,,,,,
CCOc1cc2oc(=O)cc(-c3ccccc3)c2cc1CC,CID2888002,,,,,,0.0,,,,,,,,,,,
CC(Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)O,CID363669,,,,0.0,,0.0,,,0.0,,0.0,,,,0.0,,
CCCCN(C)Cc1c(O)ccc2c(-c3ccccc3)cc(=O)oc12,CID5310759,,,,,,,,,,,,,,0.0,,,
O=c1cc(-c2ccc([N+](=O)[O-])cc2)c2ccc(O)cc2o1,CID5682293,,,,,,,,,,,,,,0.0,,,
CC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1,CID886516,,,,,,0.0,,,,,,,,0.0,0.0,,
CC(=O)COc1cc(C)cc2oc(=O)cc(-c3ccccc3)c12,CID2888529,,,,,,,,,,,,,,0.0,,,
CCOc1cc(C)cc2oc(=O)cc(-c3ccccc3)c12,CID2891848,,,,,,,,,0.0,,,,,0.0,,,
COc1ccc(C(=O)Nc2cc(OC)c(NC(=O)c3ccco3)cc2OC)cc1,CID3169045,,,,,,,,,,0.0,0.0,0.0,,,,,
COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1NC(=O)c1ccco1,CID5172271,,,,,,0.0,,,,,,,,,,,
COc1ccc(Br)cc1C(=O)Nc1ccc(NC(=O)c2ccco2)cc1,CID1015747,,,,,,,,,0.0,,0.0,0.0,,,,,
COc1cc(NC(=O)c2ccc(Br)o2)ccc1NC(=O)c1ccccc1Cl,CID1314024,0.0,,,,,,,,,,,,,,,,0.0
COc1cc(NC(=O)c2ccco2)c(OC)cc1NC(=O)c1cc(OC)c(OC)c(OC)c1,CID647606,,,0.0,,,,,,,,,,,,,,
COc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccco2)c(C)c1,CID1139546,,,,,,,,,,,,0.0,,,,,
CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cc1Br,CID3243431,0.0,,,,,,,,,,,,,,,,
CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1,CID4018255,,,,,,0.0,,,,,,0.0,,,,,
COc1cccc(OC)c1C(=O)Nc1ccc(NC(=O)c2ccco2)cc1,CID651989,0.0,,,0.0,,,,,0.0,0.0,,,,,,,
COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)ccc1NC(=O)c1ccco1,CID3813856,,,,,,,,,,,,,,0.0,,,
COc1c(F)c(F)c(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c(F)c1F,CID1258939,,,,,,,,,0.0,,,,,,,,
CC(C)Oc1cccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c1,CID655672,0.0,,,,,,,,0.0,0.0,,0.0,0.0,,,,0.0
COc1ccc(Cl)cc1C(=O)Nc1ccc(NC(=O)c2ccco2)cc1,CID1275864,,0.0,0.0,0.0,,,,,,,,,,,,0.0,0.0
COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cc1OC,CID6483755,,,,,,0.0,,,,,,,,,,,
CCOc1cc(NC(=O)c2ccco2)c(OCC)cc1NC(=O)c1cc(OC)c(OC)c(OC)c1,CID651638,,,,,,,,0.0,0.0,,,,,,0.0,,
COc1cc(NC(=O)c2ccco2)ccc1NC(=O)c1ccccc1Cl,CID1092661,,,,0.0,,,0.0,0.0,,,,,,,,0.0,
COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1NC(=O)c1ccco1,CID3711514,,,,,,0.0,,,,,,,,,0.0,,
CC(C)COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cc1,CID1363999,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(OC)c2)cc1Cl,CID1157624,,,,,,0.0,,,,,,,,,,,
CC(=O)C(C)Oc1ccc2c3c(c(=O)oc2c1)CCCC3,CID2888708,,,0.0,,,,,,0.0,,0.0,,,,,,
O=c1oc2cc(O)ccc2c2c1CCCC2,CID5322315,,,,0.0,,,0.0,0.0,,0.0,,,,,,,
COC(=O)C(C)Oc1cc(C)cc2oc(=O)c3c(c12)CCCC3,CID2867068,,,,,,,,0.0,,,,,,,,,
Cc1c(O)ccc2c3c(c(=O)oc12)CCC(C)C3,CID5738668,,,,,,,,,,,,,,,0.0,,
CSCCC(NC(C)=O)C(=O)Oc1ccc2c3c(c(=O)oc2c1)CCCC3,CID4669169,,,0.0,0.0,,,,,,,,,,0.0,0.0,,
CCOC(=O)C(C)Oc1cc(C)cc2oc(=O)c3c(c12)CCCC3,CID2999749,,,,,,,,,,,,,,,,,0.0
Cc1c(O)ccc2c3c(c(=O)oc12)CCCC3,CID5322280,,,,0.0,,,,0.0,,0.0,,,0.0,,,,
CC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCC3,CID658610,,,,,,,,,0.0,0.0,0.0,,,0.0,,,
CCOc1ccc2c3c(c(=O)oc2c1OCC)CCCC3,CID2888438,,,,,,0.0,,,,,0.0,0.0,,,,,
COc1ccc2c3c(c(=O)oc2c1OCC(=O)C(C)(C)C)CCCC3,CID1242684,,,0.0,,,,,,,,,,,,0.0,,
O=C(O)COc1ccc2c3c(c(=O)oc2c1)CCCC3,CID2063875,,,,,,,,,,,,,,0.0,,,
CCOc1c(OC)ccc2c3c(c(=O)oc12)CCCC3,CID974167,,,,,,,,,0.0,,,,,0.0,,,
CCc1cc2c3c(c(=O)oc2cc1OC)CCCC3,CID2055532,,,,,,,,,,,0.0,,,0.0,0.0,0.0,
COc1ccc2c3c(c(=O)oc2c1OCC(N)=O)CCCC3,CID2963560,,,,,0.0,,0.0,,,,,,,,,,
CCN(CC)Cc1c(O)c(Cl)cc2c3c(c(=O)oc12)CCCC3,CID5911258,,,,,,,,,,,0.0,,,,,,
CCCOc1ccc2c3c(c(=O)oc2c1)CCCC3,CID1585206,,,,,,,,,,,,,,,0.0,,
CCc1cc2c3c(c(=O)oc2cc1O)CCCC3,CID5348533,,,,,,,,0.0,,,,,,,,,
Cc1cc(OCC(=O)O)c2c3c(c(=O)oc2c1)CCCC3,CID726387,,,,,,,,,,,,,,0.0,,0.0,
COC(=O)COc1cc(C)cc2oc(=O)c3c(c12)CCCC3,CID679583,,,,,,,,,,,,,,0.0,,,
COCC(=O)Nc1nnc(Cc2ccc(OC)c(OC)c2)s1,CID651157,0.0,0.0,,0.0,,,0.0,,0.0,0.0,0.0,,,,,,0.0
COC(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1,CID1405531,,,,,,,,,,0.0,,,,,,,
CC(C)COC(=O)Nc1nnc(Cc2ccccc2)s1,CID811152,,,,,,,,,,,,,,,0.0,,
COC(=O)Nc1nnc(Cc2ccccc2)s1,CID794276,,,,0.0,,,,0.0,0.0,0.0,,0.0,0.0,,,,
CC(=O)Nc1nnc(Cc2ccccc2)s1,CID649851,,0.0,,0.0,,,,,,0.0,0.0,,0.0,,,,
CCCC(=O)Nc1nnc(Cc2ccccc2)s1,CID684148,,0.0,,0.0,,,,,,0.0,,,,,,0.0,
COCC(=O)Nc1nnc(Cc2ccc(OC)cc2)s1,CID777645,,,,,,,,,0.0,,0.0,0.0,,,,,
COC(=O)Nc1nnc(Cc2ccc(OC)cc2)s1,CID666511,0.0,,,,,,,0.0,,0.0,,0.0,,,,0.0,0.0
Nc1nnc(Cc2ccc(Cl)cc2)s1,CID702289,,0.0,,,,,,,0.0,,,,,,,,0.0
CCOC(=O)C(=O)Nc1nnc(Cc2ccc(OC)c(OC)c2)s1,CID3155161,,,,,,,,,0.0,,,,,0.0,,,
CCOCC(=O)Nc1nnc(Cc2ccc(OC)cc2)s1,CID3155100,,,,,,,,,,0.0,0.0,0.0,,,,,
CCOc1ccc(Cc2nnc(N)s2)cc1OCC,CID729145,,,,,0.0,,0.0,,,,0.0,,,,,,
CC(C)(C)C(=O)Nc1nnc(Cc2ccccc2)s1,CID794945,,,,,,,,,,,,,,,0.0,,
CCOCC(=O)Nc1nnc(Cc2ccc(OC)c(OC)c2)s1,CID648343,,,,0.0,,0.0,0.0,,0.0,,,,,,,,
COc1ccc(Cc2nnc(NS(C)(=O)=O)s2)cc1,CID2928745,,,,,,,,,0.0,,0.0,,,0.0,0.0,,
CCC(=O)Nc1nnc(Cc2ccccc2)s1,CID794578,,,,,,,,0.0,,,,,0.0,,0.0,0.0,
Nc1nnc(Cc2ccccc2)s1,CID754823,,,,,,,,,,,0.0,,,,0.0,,
CC(C)C(=O)Nc1nnc(Cc2ccccc2)s1,CID665668,,,,0.0,,,0.0,,,0.0,,,,,0.0,0.0,0.0
CS(=O)(=O)Nc1nnc(Cc2ccccc2)s1,CID855323,0.0,,,0.0,,,,,0.0,0.0,,,0.0,,0.0,,
COc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1[N+](=O)[O-],CID1105956,,,,,,0.0,,,,,,,,,,,
O=C(c1ccccc1)N1CCN(Cc2ccccc2Br)CC1,CID1112830,0.0,,,,,,,,0.0,,,0.0,,,,,0.0
Cc1ccccc1CN1CCN(C(=O)c2cccc(F)c2)CC1,CID780105,,,,0.0,,,,,,,,,0.0,,,,
COc1cc(OC)cc(C(=O)N2CCN(Cc3ccccc3C(F)(F)F)CC2)c1,CID1148190,,,,0.0,,,,,,,,,,,,,
CCOc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1,CID673609,0.0,0.0,,,,0.0,,,,,,,0.0,0.0,,,0.0
CN(C)c1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1,CID787020,,,,,,0.0,,,,,,,,,,,
COc1cc(OC)cc(C(=O)N2CCN(Cc3ccccc3Br)CC2)c1,CID1122355,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1,CID721198,,,,,,0.0,,,,,,,,,,,
Cc1cccc(CN2CCN(C(=O)c3ccccc3F)CC2)c1,CID787198,,,,,,,,,,,0.0,,,,,0.0,
CCOc1ccc(CN2CCN(C(=O)c3ccccc3)CC2)cc1,CID717275,,,0.0,0.0,,,,,,,,,,,,,0.0
N#Cc1ccc(CN2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1,CID667261,0.0,,0.0,0.0,,0.0,0.0,,,,,,,,,0.0,
COc1ccc(C(=O)N2CCN(Cc3ccccc3C)CC2)cc1OC,CID998067,0.0,,,0.0,,,,0.0,0.0,,,0.0,0.0,,,,0.0
COc1cccc(OC)c1C(=O)N1CCN(Cc2ccccc2C)CC1,CID1112844,,,,,,0.0,0.0,0.0,0.0,,,0.0,0.0,,,,
O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2Br)CC1,CID1112848,0.0,,,,,,,,0.0,,0.0,,,,0.0,0.0,0.0
CCC(=O)Nc1ccccc1C(=O)N1CCN(Cc2ccccc2)CC1,CID1268380,0.0,,,,,0.0,,,,,,0.0,,,,,0.0
O=C(c1cccc(Cl)c1)N1CCN(Cc2ccccc2F)CC1,CID717254,,,0.0,,,,,,,,,,0.0,,,,0.0
CN(C)S(=O)(=O)c1cccc(C(=O)N2CCN(Cc3ccccc3)CC2)c1,CID2598352,0.0,,0.0,0.0,0.0,,,,,,,,0.0,,,,0.0
COc1cccc(CN2CCN(C(=O)c3cccc(F)c3)CC2)c1,CID742516,,,,0.0,,,,,,,,,,,,,
CC(=O)Nc1cccc(C(=O)N2CCN(Cc3ccccc3)CC2)c1,CID2109424,0.0,0.0,,,,,,,,,0.0,0.0,,,,,0.0
Cc1cc2c(c(=O)n1CCN(C)C)C(c1ccc(Cl)cc1)C(C#N)=C(N)O2,CID2849488,0.0,,,,,,,,,,,,,,,0.0,
CCN(CC)CCCn1c(C)cc2c(c1=O)C(c1cccc(Cl)c1)C(C#N)=C(N)O2,CID662050,0.0,,,,,,,,,,,,,,0.0,0.0,
COC(=O)C1=C(N)Oc2cc(C)n(C)c(=O)c2C1c1ccc(Cl)cc1,CID666681,0.0,,,0.0,,0.0,,,,0.0,,,0.0,,,0.0,0.0
COc1ccc(OC)c(C2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)c1,CID661301,0.0,,,,0.0,,,0.0,,,,,,,,0.0,0.0
CCOc1ccc(C2C(C#N)=C(N)Oc3cc(C)n(CCN(C)C)c(=O)c32)cc1OCC,CID661803,0.0,,,0.0,,,,0.0,,0.0,0.0,,,,,0.0,
Cc1cc2c(c(=O)n1CCN(C)C)C(c1ccc(Br)cc1)C(C#N)=C(N)O2,CID661789,0.0,,,,,,,,,,,,,,,0.0,
COc1ccc(C2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)c(OC)c1OC,CID4275885,,,,,,,,,,,,,,,0.0,,
COC(=O)c1ccc(C2C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)cc1,CID667347,0.0,,,,,,,,,,,,0.0,,,,
COC(=O)C1=C(N)Oc2cc(C)n(C)c(=O)c2C1c1ccc(Cl)c(Cl)c1,CID666250,0.0,,,,,,,,,,,,,,,,
COCCn1c(C)cc2c(c1=O)C(c1ccccc1F)C(C#N)=C(N)O2,CID667387,,,,0.0,,0.0,,0.0,,,,,,,,,0.0
CCN(CC)CCCn1c(C)cc2c(c1=O)C(c1ccc(OC)c(OC)c1OC)C(C#N)=C(N)O2,CID662066,,,,,,,0.0,,0.0,,,,,,,0.0,
CCN(CC)CCCn1c(C)cc2c(c1=O)C(c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2,CID661955,0.0,,,,,,,,0.0,,,,,,,,
CCn1c(C)cc2c(c1=O)C(c1ccccc1Br)C(C#N)=C(N)O2,CID666562,0.0,,,,,,0.0,,,,,,,,,0.0,
COC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2C1c1cc(OC)c(OC)c(OC)c1,CID3236868,,,,,0.0,,0.0,,,,,,,0.0,,,
Cc1cc2c(c(=O)n1CCN(C)C)C(c1ccccc1Br)C(C#N)=C(N)O2,CID661686,0.0,,,,,,0.0,,,,,0.0,,,,0.0,0.0
CCN(CC)CCCn1c(C)cc2c(c1=O)C(c1ccccc1)C(C#N)=C(N)O2,CID661945,0.0,0.0,,,,,,,0.0,,,,,,,0.0,
COc1cccc(C2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)c1OC,CID661443,0.0,,0.0,,0.0,,,,,,,,,,,,
CCOc1ccccc1C1C(C#N)=C(N)Oc2cc(C)n(C)c(=O)c21,CID3527925,,,,,,,,,,,,0.0,,,,,
CCn1c(C)cc2c(c1=O)C(c1ccccc1)C(C(=O)OC)=C(N)O2,CID4970140,,,,,,0.0,,,,,,,,,,,
Cc1cc(C(=O)Nc2ccccc2N2CCOCC2)ccc1[N+](=O)[O-],CID896245,,,,,,,,,,,,,,,0.0,,
COc1cccc(C(=O)Nc2ccccc2N2CCOCC2)c1,CID897121,0.0,,,,,,,,0.0,,,,0.0,,,,
CC(C)Oc1ccc(C(=O)Nc2ccccc2N2CCOCC2)cc1,CID1078569,,,,,,,,,,,,,,,0.0,,
O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cccc(F)c1,CID1086047,,,,,,,,,0.0,,,,,,,,
CC(C)Oc1cccc(C(=O)Nc2ccccc2N2CCOCC2)c1,CID645057,0.0,,0.0,,,,,,0.0,,,0.0,,,,,0.0
COc1ccccc1C(=O)Nc1ccccc1N1CCOCC1,CID1078565,,,,,,,,,0.0,,,,,,,,
COc1c(C)cccc1C(=O)Nc1cc(Cl)ccc1N1CCOCC1,CID2304352,0.0,0.0,0.0,,,,,,,,,,,0.0,,,
O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc(F)cc1,CID1086048,,,,,,,,,0.0,,,,,,,,
COc1cc(OC)cc(C(=O)Nc2ccccc2N2CCOCC2)c1,CID2677768,,,,,,,,,0.0,,,,,,,,
COc1cccc(OC)c1C(=O)Nc1cc(Cl)ccc1N1CCOCC1,CID1254542,,,,,,,0.0,,,,,,,,,0.0,
COc1ccc(C(=O)Nc2ccccc2N2CCOCC2)cc1Br,CID661633,0.0,,,,,,0.0,,0.0,,0.0,,,,,,0.0
CC(=O)Nc1cccc(C(=O)Nc2ccccc2N2CCOCC2)c1,CID2092655,,,,,,,,,,,,0.0,,,0.0,,
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccccc2F)c1,CID16196854,,,,,,,,,,,,,,0.0,,,
O=C(Nc1ccccc1N1CCOCC1)c1ccc([N+](=O)[O-])cc1,CID887220,,,,,,0.0,,,,,,,,,,,
O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccccc1F,CID1081259,,,,,,,,,0.0,,,,,,,,
C#Cc1ccc(C(=O)Nc2cc(C(N)=O)ccc2N2CCOCC2)cc1,CID652860,0.0,,,,,,,,,,,,,,,0.0,
CCOc1ccc(C(=O)Nc2ccccc2N2CCOCC2)cc1,CID1078555,,,,,,0.0,,,0.0,,,0.0,,,,,
CCC(C)Oc1cccc(C(=O)Nc2ccccc2N2CCOCC2)c1,CID3246778,,0.0,,,,,,,,,,0.0,,,,,
O=C(Nc1ccccc1N1CCOCC1)c1ccccc1[N+](=O)[O-],CID887264,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CCCCC1,CID651507,0.0,,,,,0.0,,0.0,0.0,,0.0,,,,,0.0,
COC(=O)c1c(NC(=O)CN2CCCC(C)C2)c2c(C)cccc2n1C,CID665587,,,,,0.0,,,,0.0,,0.0,,,,,,0.0
CCOC(=O)C1CCCN(CC(=O)Nc2c(C(=O)OC)[nH]c3ccc(Br)cc23)C1,CID659238,0.0,,,,,,,,,,,0.0,,,,0.0,0.0
COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)CN1CCCCC1C,CID663854,,,,,,,,,,,,,,,,0.0,0.0
COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCCC(C)(C)C1,CID659184,,,,,,,,0.0,,,,,,,,0.0,0.0
CCOC(=O)C1CCCN(CC(=O)Nc2c(C(=O)OC)[nH]c3ccc(C)cc23)C1,CID658773,,0.0,,,,0.0,,,,,,,,,,,
CCOC(=O)c1[nH]c2ccc(OCC)cc2c1NC(=O)CN1CCCC(C)C1,CID665274,0.0,,,,,,,0.0,0.0,,0.0,,,,,0.0,0.0
CCOC(=O)C1CCN(CC(=O)Nc2c(C(=O)OC)[nH]c3cccc(Cl)c23)CC1,CID663410,,,,,,,0.0,,,,,,0.0,,,,
COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCCCC1C,CID659354,,,0.0,,,,,,,,,,,,,,
COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCC(C)CC1,CID658912,0.0,,,0.0,,,0.0,,0.0,,,,,,,0.0,
CCOC(=O)C1CCCN(CC(=O)Nc2c(C(=O)OC)[nH]c3ccc(Cl)cc23)C1,CID659320,,,,0.0,,,,,,,,,0.0,,,,
COC(=O)c1c(NC(=O)CN2CCC(C(N)=O)CC2)c2c(C)cccc2n1C,CID665785,,,0.0,,,,0.0,0.0,,,,,,,,,
CCOC(=O)C1CCN(CC(=O)Nc2c(C(=O)OC)[nH]c3ccccc23)CC1,CID658749,0.0,,,0.0,,,,,,0.0,,,,,,,
CCOC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCCCC1,CID646209,0.0,,,0.0,,,,,,,0.0,,0.0,,,0.0,
COC(=O)c1c(NC(=O)CN2CCC(C)CC2)c2c(C)cccc2n1C,CID665878,0.0,0.0,0.0,,,0.0,0.0,,0.0,,,,0.0,,,,0.0
COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CN1CCC(C(N)=O)CC1,CID662139,,,,,,,,,,,0.0,,,0.0,,,
CCOC(=O)C1CCCN(CC(=O)Nc2c(C(=O)OC)[nH]c3ccccc23)C1,CID658823,,,,,,,,0.0,,,0.0,,,,,,
CCOC(=O)C1CCN(CC(=O)Nc2c(C(=O)OC)[nH]c3cccc(C)c23)CC1,CID665207,,,,,,,0.0,,,,,,0.0,,,,
CCOC(=O)C1CCN(CC(=O)Nc2c(C(=O)OC)n(C)c3cccc(C)c23)CC1,CID665662,,,,0.0,,,,,,,,,0.0,,,,
COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(OC)c1,CID1246748,0.0,,,,,,,,,0.0,0.0,,,,,0.0,
Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1,CID1260312,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)CC2)c(C)c1NS(C)(=O)=O,CID2926903,,,,,,,,,,,,,,,0.0,,
COc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1,CID1147998,,0.0,,,,,,0.0,,0.0,0.0,,0.0,,,0.0,
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)cc1,CID1148014,,,,,,,0.0,0.0,0.0,,,,0.0,,,,0.0
O=C(c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1,CID654215,,,,,0.0,,,,,,,,,,,,0.0
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3F)CC2)cc1,CID1151655,,,,,,,,,,0.0,,,,,,,
O=C(c1ccc(Br)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1,CID1262191,0.0,,,,,,,,0.0,,,,,0.0,,0.0,0.0
COc1cccc(OC)c1C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1,CID660716,,,0.0,,0.0,,,0.0,,0.0,0.0,,,,,,0.0
COc1ccc(C(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3OC)CC2)cc1,CID3243820,0.0,0.0,,,0.0,,0.0,,,,,,,0.0,,,
O=C(c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccccc2)CC1,CID717178,,,0.0,,,,0.0,,,,,,0.0,,,,
COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1OC,CID1262772,,,,0.0,0.0,,,,,0.0,,,0.0,,,,
O=C(c1ccccc1C(F)(F)F)N1CCN(S(=O)(=O)c2ccccc2)CC1,CID2114458,,,,,0.0,,,0.0,,,,,,,,,
COc1cccc(OC)c1C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1,CID653911,,,0.0,,,,0.0,,,0.0,0.0,,,,,0.0,
Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1,CID707395,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1,CID720576,,,,,,0.0,,,,,,0.0,,0.0,,,
COc1cc(S(=O)(=O)N2CCN(C(=O)c3ccccc3F)CC2)c(OC)cc1NC(C)=O,CID649873,,,0.0,,,0.0,0.0,0.0,,,,,,,,,
COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1,CID1147959,,0.0,0.0,0.0,0.0,,0.0,,,0.0,,0.0,0.0,,,,0.0
CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)cc1,CID3237315,,,,,,,,,,,0.0,,,,,,0.0
COC(=O)C(F)(Sc1c(C)n(C)n(-c2ccccc2)c1=O)C(F)(F)F,CID545033,,,,,0.0,,,0.0,,,,,,,,,0.0
Cc1c(NC=C(C#N)C#N)c(=O)n(-c2ccccc2)n1C,CID390325,,,,,,,,,,,,,,,0.0,,
CCN(c1c(C)n(C)n(-c2ccccc2)c1=O)S(C)(=O)=O,CID645207,,,0.0,,,,0.0,,,,,,,,,,
CCC(CC)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O,CID712203,,,,,,,,,0.0,,,0.0,,,,,
Cc1cc(=O)n(-c2ccccc2Cl)[nH]1,CID736171,,,,,,,,,,,,,,0.0,,,
CCS(=O)(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O,CID692885,,,,,,,,,0.0,,,0.0,,,,,
Cc1c(NS(C)(=O)=O)c(=O)n(-c2ccccc2)n1C,CID545012,,,,0.0,,,0.0,,,0.0,,,,,,0.0,
CC(=O)C(=NNc1c(C)n(C)n(-c2ccccc2)c1=O)C(C)=O,CID545011,,,,,,,,,,,,,,0.0,,,
Cc1cc(=O)n(-c2ccc(O)cc2)[nH]1,CID1279932,,,,0.0,,,,,0.0,0.0,,,,,,,
COC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O,CID202291,,,,0.0,,,,,,,,0.0,,,,,
Cc1c(NC(=O)CC(O)(C(F)(F)F)C(F)(F)F)c(=O)n(-c2ccccc2)n1C,CID1301784,,,,,,,,,,,,,,,,,0.0
CCOC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O,CID228457,,0.0,0.0,,,,,,0.0,,,,,,,,
CCOC(=O)c1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C,CID851392,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1cc(=O)n(-c2ccc(Cl)cc2C)[nH]1,CID851391,,,,,,,,,,,,,,0.0,,,
COC(=O)Cc1cc(=O)n(-c2ccccc2)[nH]1,CID715399,,,0.0,,,,,,,0.0,,,0.0,,,,
COC(=O)C(O)(c1c(C)[nH]n(-c2ccccc2)c1=O)C(F)(F)F,CID3236823,,,,0.0,,,,,0.0,,,,,,,,
Cc1c(NC(N)=O)c(=O)n(-c2ccccc2)n1C,CID797020,,,,,,,,,,,,,,0.0,,,
Cc1c(NC(=O)N(C)C)c(=O)n(-c2ccccc2)n1C,CID738619,,,,,,,,,0.0,,,0.0,,,0.0,,
COc1ccc(-n2[nH]c(C)cc2=O)cc1,CID3240576,,,0.0,,,,,0.0,,,,,,,,,
COc1ccc(NC(=O)N2CCCC2C(=O)Nc2ccc(C)c(Cl)c2)cc1,CID646917,0.0,,,,,0.0,,,,,,,0.0,,,,0.0
CC(=O)Nc1cccc(NC(=O)C2CCCN2C(=O)Nc2cccc(C)c2)c1,CID648549,0.0,0.0,0.0,,,,,,0.0,,,,0.0,,,0.0,
CC(=O)c1cccc(NC(=O)N2CCCC2C(=O)Nc2cccc(C)c2)c1,CID649973,,,0.0,,0.0,,,,0.0,,,0.0,,,,,
CC(=O)c1cccc(NC(=O)N2CCCC2C(=O)Nc2cccc(C)c2C)c1,CID656016,,,,,,0.0,,,0.0,,,,,,,,0.0
COc1ccc(NC(=O)N2CCCC2C(=O)Nc2ccc(C)cc2)cc1,CID653716,0.0,0.0,0.0,,,,,,0.0,,0.0,,,,,,0.0
CC(=O)Nc1cccc(NC(=O)C2CCCN2C(=O)Nc2ccccc2C)c1,CID645063,0.0,,,,,,,,0.0,,0.0,,0.0,,,0.0,
COc1cccc(NC(=O)C2CCCN2C(=O)Nc2ccccc2F)c1,CID647170,,,0.0,0.0,,,,,,,,,,,,,
CC(=O)c1cccc(NC(=O)N2CCCC2C(=O)Nc2ccccc2C)c1,CID651368,,,0.0,,0.0,,,,0.0,,,0.0,,,,,0.0
CC(=O)c1cccc(NC(=O)N2CCCC2C(=O)Nc2c(C)cccc2C)c1,CID653025,,,,,,,,,0.0,0.0,,,,,,,0.0
COc1cccc(NC(=O)C2CCCN2C(=O)Nc2cccc(F)c2)c1,CID645286,,,,0.0,,,,,,,,,0.0,,,,
CCOc1ccccc1NC(=O)N1CCCC1C(=O)Nc1ccc(NC(C)=O)cc1,CID654319,0.0,,,,,,,,,,0.0,,,,,0.0,0.0
CC(=O)Nc1cccc(NC(=O)C2CCCN2C(=O)Nc2cccc(F)c2)c1,CID646534,,,,,,,,,,,,,0.0,,,,
CC(=O)Nc1cccc(NC(=O)C2CCCN2C(=O)Nc2ccc(C)cc2)c1,CID650709,,,,,,,,,,,,,,0.0,,,0.0
COc1ccc(NC(=O)C2CCCN2C(=O)Nc2ccccc2)cc1OC,CID3219689,,,,,,,,,0.0,,,0.0,,,,,
CC(=O)Nc1cccc(NC(=O)C2CCCN2C(=O)Nc2ccc(Cl)cc2)c1,CID656114,0.0,0.0,,,0.0,,0.0,,,,,,0.0,,,0.0,0.0
COc1ccccc1NC(=O)N1CCCC1C(=O)Nc1ccc(NC(C)=O)cc1,CID650261,,,0.0,,,,,,,,0.0,,,,,0.0,
CC(=O)c1cccc(NC(=O)N2CCCC2C(=O)Nc2cc(C)ccc2C)c1,CID654442,0.0,,,0.0,,0.0,,,0.0,,,,0.0,0.0,,,
COc1ccc(NC(=O)N2CCCC2C(=O)Nc2ccccc2)cc1,CID3219665,,,,,,,,,,,,0.0,,,,,
COC(=O)N/N=C/c1ccc(OS(=O)(=O)c2ccc(C)cc2)c(OC)c1,CID2520675,,,,,,,,,,,,,,,0.0,,
COc1ccccc1OS(=O)(=O)c1ccc(NC(C)=O)cc1,CID1739236,,,,,,,,,,,,,,0.0,,,
CC(=O)Nc1ccc(OS(=O)(=O)c2c(C)cc(C)cc2C)cc1,CID2269538,,,,,,,,,,,,,,0.0,,,
CC(=O)Nc1ccc(OS(=O)(=O)c2ccccc2C)cc1,CID1734258,,,,,,,,,,,,,,0.0,,,
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(C=O)cc2)cc1,CID1714280,,,,,,,,,,,,,,0.0,,,
CC(=O)Nc1ccc(OS(=O)(=O)c2ccc(C)cc2C)cc1,CID1745803,,,,,,,,,,,,,,,0.0,,
COc1cc(/C=C(\C#N)C(N)=O)ccc1OS(=O)(=O)c1ccc(C)cc1,CID2688390,,,,,,,,,,,,,,0.0,,,
COc1ccc(C=O)cc1OS(=O)(=O)c1ccccc1[N+](=O)[O-],CID2284863,,,,,,,,,,,,,,,0.0,,
CC(=O)Nc1cc(Cl)ccc1OS(=O)(=O)c1ccc(C)cc1,CID2294567,,,,,,,,,,,,,,,0.0,,
COc1ccc(C=O)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1,CID2285426,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/O)cc1,CID2277333,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1ccc(OS(=O)(=O)c2ccccc2)c(OC)c1,CID1732090,,,,,,,,,,,,,,0.0,,,
CCOc1cc(/C=N/O)ccc1OS(=O)(=O)c1ccc(C)cc1,CID2288717,,,,,,0.0,,,,,,,,,,,
COc1ccc(S(=O)(=O)Oc2ccccc2)cc1,CID1728494,,,,,,0.0,,,,,,,,,,,
COc1cc(/C=C/C(=O)O)ccc1OS(=O)(=O)c1ccc(C)cc1,CID2431667,,,,,,,,,,,,,,,0.0,,
COC(=O)c1ccc(OS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1,CID1772308,,,,,,,,,,,,,,0.0,,,
COc1cc(/C=N/O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1,CID2286593,,,,,,,,,,,,,,0.0,,,
COc1cccc(/C=N/NC(N)=S)c1OS(=O)(=O)c1ccccc1,CID1737739,,,,,,,,,,0.0,,,,0.0,,,
CCc1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1,CID708419,,,,,,0.0,,,,,,,,,,,
CC(C(=O)Nc1ccc(C(=O)O)cc1)N1C(=O)c2ccccc2C1=O,CID3243490,,,,,,0.0,,0.0,,,,,,,,,
Cc1cccc(NC(=O)CN2C(=O)c3ccccc3C2=O)c1C,CID710840,,,,,,,,,,,,,,0.0,,,
COc1ccccc1NC(=O)CN1C(=O)c2ccccc2C1=O,CID743181,,,,,,0.0,,,,,,,,,,,
COC(=O)c1ccc(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)cc1,CID2787705,,,0.0,,,,,0.0,,,0.0,,,,,,
CC(C)CNC(=O)c1cccc(NC(=O)CN2C(=O)c3ccccc3C2=O)c1,CID1037648,,,,,,0.0,,,,,,,,,,,
CC(C)C(C(=O)Nc1ccccc1)N1C(=O)c2ccccc2C1=O,CID2938776,,,,,0.0,,,,0.0,,,0.0,,,,,0.0
CC(C)c1cccc(C(C)C)c1NC(=O)CN1C(=O)c2ccccc2C1=O,CID978553,,,,,,0.0,,,,,,,,,,,
COc1ccccc1NC(=O)C(CCS(C)(=O)=O)N1C(=O)c2ccccc2C1=O,CID662699,,0.0,,,0.0,,0.0,,0.0,0.0,,,0.0,,,0.0,
Cc1cc(C)c(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)c(C)c1,CID2789899,,,,,,0.0,,,,,,,,,,,
O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccccc1F,CID723287,,,,,,,0.0,,,,0.0,,,,,,
Cc1ccc(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)cc1,CID650520,,,,,0.0,0.0,,0.0,0.0,,,0.0,,,,,0.0
CCCCN(CCCC)C(=O)c1ccccc1NC(=O)CN1C(=O)c2ccccc2C1=O,CID1806165,,,,,,,,,0.0,,,0.0,,,0.0,,
COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN1C(=O)c2ccccc2C1=O,CID1301297,,,,,,,,,,,,,,,0.0,,
COc1ccc(NC(=O)C(CCS(C)(=O)=O)N2C(=O)c3ccccc3C2=O)cc1,CID2950000,,,,,,,,,0.0,,,,,,,,
CCOC(=O)c1ccc(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)cc1,CID2788214,,,,,,,0.0,0.0,,,,,,,,,
COC(=O)c1cccc(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)c1,CID2788215,,0.0,,,,,0.0,,,,,,0.0,,0.0,,
COc1cc(NC(=O)CN2C(=O)c3ccccc3C2=O)c(C(=O)O)cc1OC,CID1230971,,,,,,,0.0,,,,,0.0,,,,,
CCOc1cccc(OCCOc2ccccc2[N+](=O)[O-])c1,CID2288967,,,,,,,,,,,,,,0.0,,,
O=Cc1ccccc1OCCOc1ccc([N+](=O)[O-])cc1,CID578365,,,,,,,,,,,,,,0.0,,,
NC(=S)N/N=C/c1cc([N+](=O)[O-])ccc1OCCOc1ccccc1,CID2274838,,,,,,,,,,0.0,,,,,0.0,,
COC(=O)c1ccccc1OCCOc1ccccc1C(=O)OC,CID2195248,,,,,,,,,0.0,,,,,0.0,,,
COc1cccc(OCCOc2ccccc2OC(C)C)c1,CID2284070,,,,,,,,,,,0.0,,,,,,
CCOc1ccccc1OCCOc1ccccc1OC(C)C,CID2288851,,,,,,0.0,,,,,,,,,,,
Cc1ccc(OCCOc2cccc(C=O)c2)cc1C,CID2191429,,,,,,0.0,,,,,,,,,,,
O=C(O)c1ccccc1OCCOc1ccccc1,CID2360902,,,0.0,,,,,0.0,,,,,,0.0,,,
COC(=O)c1ccc(OCCOc2ccccc2)cc1,CID2287870,,,,,,,,,0.0,,0.0,,,0.0,,,
C/C=C/c1ccc(OCCOc2ccc(C=O)cc2)c(OC)c1,CID2284726,,,,,,,,,,,,,,0.0,,,
O=Cc1ccccc1OCCOc1ccccc1C=O,CID224214,,,,,,,,,0.0,,,,,0.0,0.0,,
CCOc1ccccc1OCCOc1ccc(F)cc1,CID2283109,,,,,,0.0,,,,,,,,,,,
COc1cccc(OC)c1OCCOc1ccccc1OC(C)C,CID2899426,,,,,,0.0,,,,,,,,,,,
COc1cc(C)ccc1OCCOc1cc(C)ccc1Cl,CID2289107,,,,,,,,,,,,,,0.0,,,
COc1ccc(OCCOc2ccccc2[N+](=O)[O-])cc1,CID2284676,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccc(OCCOc2ccc(C(=O)OC)cc2)cc1,CID77875,,,,,,,,,0.0,,,,,0.0,,,
CC(=O)Nc1ccccc1OCCOc1ccc(Br)cc1,CID2475666,,,,,,,,,,,,,,,0.0,,
O=C(O)c1ccccc1OCCOc1ccccc1C(=O)O,CID2173682,,,,,,,,,,,,,,,0.0,,
COc1cccc(CSc2nnc(-c3ccccc3F)o2)c1,CID649758,,,,,,,0.0,0.0,,,,,,,,,0.0
Cc1cc(C)cc(-c2nnc(SCc3ccc(C(=O)O)cc3)o2)c1,CID859598,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccc(OC)c(CSc2nnc(-c3ccc(C(C)(C)C)cc3)o2)c1,CID1134734,,,,,,,,,,,0.0,,,,,,
COc1cc(-c2nnc(SCc3c(F)cccc3Cl)o2)cc(OC)c1OC,CID1115131,0.0,,0.0,,0.0,,,,,0.0,,,0.0,,,,
Cc1ccc(-c2nnc(SCc3ccccc3F)o2)cc1,CID750580,,,,,,,0.0,,,,,,,,,,0.0
Cc1ccccc1-c1nnc(SCc2ccc(F)cc2)o1,CID750584,,,,0.0,,,0.0,,,,,,0.0,,,,
COc1cc(-c2nnc(SCc3ccccc3Cl)o2)cc(OC)c1OC,CID2032320,0.0,0.0,,,0.0,,,,,0.0,,0.0,,,,,
COc1ccc(-c2nnc(SCc3ccccc3F)o2)cc1OC,CID2365040,,,0.0,,,0.0,0.0,,,,,,0.0,,,,0.0
Cc1ccccc1-c1nnc(SCc2ccccc2)o1,CID889945,,0.0,,0.0,,,,,,,,,0.0,,,,0.0
COc1cc(OC)cc(-c2nnc(SCc3c(F)cccc3Cl)o2)c1,CID656138,,0.0,0.0,,0.0,,,,,0.0,,,,,,,
COC(=O)c1ccc(OC)c(CSc2nnc(-c3ccc(C)cc3)o2)c1,CID649349,0.0,,0.0,,,,,,,0.0,,,0.0,,,,
COc1cc(OC)cc(-c2nnc(SCc3cccc(C(=O)O)c3)o2)c1,CID1261055,,,,,,,,,,,,,,0.0,0.0,,
N#Cc1cccc(-c2nnc(SCc3ccccc3C#N)o2)c1,CID656124,0.0,0.0,,0.0,0.0,,,,,,0.0,,,,,,
Fc1ccccc1CSc1nnc(-c2ccccc2)o1,CID783687,,,,,,,,,,0.0,,,,,,0.0,
Cc1ccccc1-c1nnc(SCc2ccccc2F)o1,CID3239070,,,0.0,,,,,,,,,,,,,,0.0
COc1ccc(-c2nnc(SCc3cc(C)cc(C)c3)o2)cc1,CID2579543,0.0,,,,,,0.0,,,,,,,,,,
COc1cccc(CSc2nnc(-c3ccc(F)cc3)o2)c1,CID653057,,,,,,,0.0,,0.0,,,,,,,,0.0
COc1ccc(-c2nnc(SCc3cccc(C#N)c3)o2)cc1,CID1280861,0.0,,,,0.0,,0.0,0.0,,,,,,0.0,,0.0,
Cc1ccccc1NC(=O)Nc1cccs1,CID3237082,,,0.0,,0.0,,,,,,,,,,,,0.0
COC(=O)c1ccccc1NC(=O)Nc1cccs1,CID3235857,,,0.0,0.0,0.0,,,,,,,,,,,,
O=C(Nc1cccc([N+](=O)[O-])c1)Nc1cccs1,CID3538663,,,,,,,,,,,,,,,0.0,,
CCc1cccc(NC(=O)Nc2cccs2)c1,CID3242865,,,0.0,,0.0,,,0.0,,,,,,,,,
CCOC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc(C)c1C,CID1069488,,,,,,,,,,0.0,0.0,,,,,,
CC(=O)c1cccc(NC(=O)Nc2cccs2)c1,CID3244476,,,,,0.0,,,,,0.0,,,,,,,0.0
COc1ccc(NC(=O)Nc2cccs2)cc1OC,CID3242733,,,0.0,,0.0,,,,,,,,,,,,
COc1cccc(NC(=O)Nc2cccs2)c1,CID3242644,,,,0.0,0.0,,,,,,,,,,,,
N#Cc1cccc(NC(=O)Nc2cccs2)c1,CID3236565,,0.0,,0.0,,,,,,0.0,,,,,0.0,,
O=C(Nc1cccs1)Nc1ccccc1Cl,CID3238296,,0.0,,,,,,,,0.0,0.0,0.0,,,,,0.0
O=C(Nc1cccs1)Nc1ccc(F)cc1F,CID4101595,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1c(NC(=O)Nc2ccccc2)sc(C)c1C,CID2381190,,,,,,,,,,,,,,,0.0,,
CCc1ccc(NC(=O)Nc2cccs2)cc1,CID3245074,,,,,0.0,,,,,,,,,,,,
Cc1ccc(NC(=O)Nc2cccs2)cc1,CID3242585,,,,,0.0,,,,,,,,0.0,,,,
COC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc(C)c1C,CID768692,,,,,,,,,,0.0,,,,,,,
CCOc1ccc(NC(=O)Nc2cccs2)cc1,CID9550724,,,,,,0.0,,,,,,0.0,,,,,
Cc1cccc(C)c1NC(=O)Nc1cccs1,CID3236449,,,,,0.0,0.0,,,,,,,,,,,0.0
N#Cc1ccccc1NC(=O)Nc1cccs1,CID3245122,,,,,,,,0.0,,,0.0,,,,,,
COc1ccc(Br)cc1CNC(=O)C1CCCN(S(C)(=O)=O)C1,CID3238665,,,,,,,,,0.0,,,,,,,0.0,0.0
CS(=O)(=O)N1CCCC(C(=O)NCc2ccc(F)cc2Cl)C1,CID3244758,,0.0,0.0,,,,,,,,,0.0,,,,,0.0
CS(=O)(=O)N1CCCC(C(=O)NCc2ccccc2Cl)C1,CID3240647,0.0,,,0.0,,,,,,0.0,,,,,,,0.0
COc1ccccc1CNC(=O)C1CCCN(S(C)(=O)=O)C1,CID2991331,,,0.0,,,,,0.0,,,,,,0.0,,,
CN(C)C(=O)N1CCCC(C(=O)NCc2ccccc2Cl)C1,CID3244350,0.0,,,,,,,,,,0.0,,,,,0.0,0.0
CCCCOc1ccc(C(C)NC(=O)C2CCCN(S(=O)(=O)CC)C2)cc1,CID3241033,,,,,,,,0.0,,,,,,,,,
CCOc1ccc(CNC(=O)C2CCCN(S(C)(=O)=O)C2)cc1OC,CID3244077,,,,,,,,0.0,,,,,0.0,,,,
COc1cccc(CNC(=O)C2CCCN(S(C)(=O)=O)C2)c1,CID3245436,,,0.0,,,,0.0,,,,,,,0.0,,,0.0
CN(C)C(=O)N1CCCC(C(=O)NCc2ccccc2)C1,CID3244897,,0.0,,,,,,0.0,,0.0,,,,,,,
CCCS(=O)(=O)N1CCCC(C(=O)NCc2ccc(C)cc2)C1,CID3240906,,,0.0,,,,,0.0,,,,,,,,,
CS(=O)(=O)N1CCCC(C(=O)NCc2ccc(F)cc2)C1,CID3241926,,,,,,,,0.0,,,,,,,,,0.0
CCS(=O)(=O)N1CCCC(C(=O)NCc2ccc(C)cc2)C1,CID3243682,,,,,,0.0,,,,,,,,,,,
CCS(=O)(=O)N1CCCC(C(=O)NCc2ccccc2Cl)C1,CID3243767,0.0,,0.0,,0.0,,,,,,0.0,,,,,,0.0
COc1ccc(OC)c(CNC(=O)C2CCCN(C(=O)N(C)C)C2)c1,CID3240942,,,,0.0,,,,0.0,,,,,,,,,
CC(NC(=O)C1CCCN(C(=O)N(C)C)C1)c1ccccc1,CID4651696,,,,,,,,,,,0.0,,,,,,
Cc1ccc(CNC(=O)C2CCCN(S(C)(=O)=O)C2)cc1,CID3242642,,0.0,,,,0.0,,0.0,,,0.0,,,,,,
CN(C)C(=O)N1CCCC(C(=O)NCc2ccc(F)cc2Cl)C1,CID3242826,,0.0,,,,,,,,,,,,,,0.0,0.0
CCS(=O)(=O)N1CCCC(C(=O)NCc2cccc(OC)c2)C1,CID3236733,,0.0,,0.0,,,,0.0,,,,,,,,,
CCCC(=O)C1=C(NCCO)CC(C)(C)CC1=O,CID2834734,,,,,0.0,,,0.0,,,0.0,,,0.0,,,
CC1(C)CC(=O)C=C(NCC(=O)O)C1,CID2999403,,,,,0.0,,,0.0,,,,,,,,,
CC1(C)CC(=O)C(Br)=C(O)C1,CID2785707,,,,,,,,,,,,,,,0.0,,
CCCC(=O)C1=C(NC(C)(C)C)CC(C)(C)C(C(=O)OC)C1=O,CID2834795,,,,,,,,,,,,,,0.0,,,
CCSCCC(NC1=CC(=O)CC(C)(C)C1)C(=O)O,CID3245812,,,,0.0,,,,,0.0,,,,0.0,,,,
CCCCNC1=C(Br)C(=O)CC(C)(C)C1,CID657767,0.0,,,,,,,,,,,,,0.0,,,0.0
CNC(=O)CCC(=O)C1=C(NC)CC(C)(C)CC1=O,CID712669,,,,,0.0,,0.0,,,,,0.0,0.0,,0.0,,
CCCC(=O)C1=C(SCC)CC(C)(C)C(C(=O)OC)C1=O,CID2834767,,,,0.0,,,,,0.0,,,,,,,,
CCCC(=O)C1=C(N)CC(C)(C)C(C(=O)OC)C1=O,CID2834687,,,,,0.0,,,0.0,,,,,,,,,
CC1(C)CC(=O)C=C(NCCO)C1,CID333140,,,,,0.0,,,0.0,,,,,,,,,
CC1(C)CC(=O)C(C#N)=C(NCCCO)C1,CID2857923,,0.0,,0.0,,,0.0,,,,,0.0,0.0,,0.0,,
COC(=O)C1C(O)=CC(=O)CC1C,CID3766543,,,,,,,,,0.0,,,,,,,,
C=CCNC1=C(C(=O)CCC(=O)OC)C(=O)CC(C)(C)C1,CID3235620,,,,,0.0,,,0.0,,,,,0.0,,,0.0,
CC1CC(=O)C=C(O)C1C(=O)OC(C)(C)C,CID2946587,,,,,,,,0.0,,,,,,,,,
CC1(C)CC(=O)C=C(NNC(=O)OC(C)(C)C)C1,CID4433550,,,,,,,,,,,,,,,0.0,,
CCCC(=O)C1=C(NC(C)C(=O)O)CCCC1=O,CID659049,,,,,0.0,,0.0,,,,0.0,,,,,,
CCCC(=O)C1=C(NC)CC(C)(C)C(C(=O)OC)C1=O,CID3116051,,0.0,,,0.0,,,0.0,,0.0,,,0.0,,,0.0,0.0
C=CCCCCCCCCC(=O)NNC1=CC(=O)CC(C)(C)C1,CID5134273,,,,,,,,,,,0.0,,,,,,
O=C(Nc1ccc(F)cc1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1,CID1308702,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(OC)c(OC)c3)CC2)cc1,CID1327903,0.0,,,,,,,,0.0,0.0,0.0,,,,,,
COc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3OC)CC2)cc1,CID3236638,0.0,,,,,,0.0,,0.0,,,,,,,,
O=C(Nc1cccc(F)c1)C1CCN(C(=O)c2ccc(Br)cc2)CC1,CID1315425,,,,,,,,,0.0,,0.0,,,,0.0,,
COc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(C)cc3)CC2)cc1,CID4106320,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)N2CCC(C(=O)Nc3cccc(C)c3)CC2)cc1OC,CID1327311,0.0,,0.0,,,0.0,0.0,,0.0,0.0,,,0.0,,,,0.0
COc1ccc(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1OC,CID2295521,0.0,,0.0,0.0,,,,,,,,,,,,,
COc1cc(C(=O)N2CCC(C(=O)Nc3cccc(C(C)=O)c3)CC2)cc(OC)c1OC,CID1075523,,,0.0,,,,,0.0,0.0,0.0,,,0.0,,,,0.0
COc1ccc(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)c(OC)c1,CID1327590,0.0,,,0.0,,,0.0,,0.0,,,,0.0,,,,
Cc1ccccc1C(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1,CID801681,,,0.0,,,,,0.0,,,,0.0,,,,,
COC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1,CID1003839,,,,,,,,,,0.0,,,,,,,
O=C(Nc1ccccc1)C1CCN(C(=O)c2ccccc2)CC1,CID802492,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1,CID1072833,,,,,,,,,0.0,0.0,,,,,,,
COC(=O)c1ccccc1NC(=O)C1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1,CID1075566,,0.0,,,,,,,,,,,0.0,,,,
Cc1ccccc1C(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1,CID802933,,,,,,,,0.0,,,,0.0,,,,,
O=C(Nc1ccccc1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1,CID1301894,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccccc1NC(=O)C1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1,CID1072843,,0.0,,,,,,0.0,0.0,0.0,0.0,,0.0,,,,
COc1ccc(NC(=O)C2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1,CID1326034,,,,,,,,,0.0,,,,,,,,
CSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccccc1C,CID5308526,0.0,0.0,,,,,,,,,,,,,,,
NC(=O)CSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccccc1,CID5309526,0.0,,,,,,,,,,,,,,,,
CC(C)Sc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccccc1,CID5307735,0.0,,,,,,0.0,,,,,,,,,,
O=C(O)CSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1cccc(Cl)c1,CID3235855,,,,,,,,,0.0,,,,0.0,,,,
CCOC(=O)CNC(=O)CSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccccc1C,CID3237880,,0.0,,,0.0,0.0,,,,,,0.0,,,,0.0,0.0
CSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1cccc(Cl)c1,CID3240163,,,,0.0,0.0,,,,0.0,,,,,,,,
NC(=O)CSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1cccc(Cl)c1,CID3239446,,,,,,,,,0.0,,0.0,,0.0,,,,
CCOC(=O)C(C)Sc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccccc1,CID5309132,0.0,,,,,,0.0,,,,,,,,,,
CCCSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccccc1,CID5307584,0.0,,,,,,,,,,,,,,,,
CCOC(=O)CSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccccc1C,CID5308591,0.0,,,,,,0.0,,,0.0,,,,,,,
CSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccccc1,CID5307368,0.0,,,,,0.0,,,,,,,,,,,
COc1ccc(-n2c(Cn3c(=O)sc4ccccc43)nnc2SC)cc1,CID5308738,0.0,,,,,,,,,,,,0.0,,,,
CCSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccccc1C,CID5307192,0.0,,,0.0,,,,,,,,,0.0,,,,
CCOC(=O)CNC(=O)CSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccccc1,CID3242261,,0.0,0.0,,0.0,0.0,0.0,,,,0.0,,,,,0.0,
CCSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccc(OC)cc1,CID5308935,0.0,,,,,,,,,,,,,,,,
Cc1ccccc1-n1c(Cn2c(=O)sc3ccccc32)nnc1SC(C)C,CID5307356,0.0,,,,,,,,,,,,,,,,
COc1ccc(-n2c(Cn3c(=O)sc4ccccc43)nnc2SCC(N)=O)cc1,CID5308490,,,,,,,0.0,,,,,,,,,0.0,
Cc1ccccc1-n1c(Cn2c(=O)sc3ccccc32)nnc1SCC(N)=O,CID5309358,0.0,,0.0,,,,0.0,,,,,,,,,,0.0
COC(=O)C1CCN(C(=O)Cc2ccccc2OC)CC1,CID884122,,,,,,,,,,,,,,0.0,,,
COC(=O)C1CCN(C(=O)Cc2ccc(C)cc2)CC1,CID756685,,,,,,,,,0.0,,,,,,0.0,,
CC1CCN(C(=O)C(C)c2ccc([N+](=O)[O-])cc2)CC1,CID2944450,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C1CCN(C(=O)Cc2ccc(C)cc2)CC1,CID756675,,,,,,0.0,,,0.0,,,,,0.0,0.0,,
CCOC(=O)C1CCN(C(=O)C(CC)c2ccccc2)CC1,CID2889510,,,,,,,,,,,,,,0.0,,,
COC(=O)C1CCN(C(=O)Cc2ccc(OC)c(OC)c2)CC1,CID884355,,0.0,,,,,0.0,0.0,,,,,,,0.0,,
CCOC(=O)C1CCN(C(=O)Cc2ccc(OC)c(OC)c2)CC1,CID869390,,,,,,,,,,,,,,,,0.0,
COc1ccc(CC(=O)N2CCCC(C)C2)cc1,CID2842800,,,,,,,,,,,0.0,,,,,,
CCOC(=O)C1CCCN(C(=O)Cc2ccc(Cl)cc2)C1,CID2905629,,,,,,,,,,,,,,0.0,,,
CC1CCCCN1C(=O)Cc1ccc(Cl)cc1,CID2889061,,,0.0,,,,,,,0.0,,,,,,,0.0
CCOC(=O)C1CCCN(C(=O)Cc2ccc(C)cc2)C1,CID2940373,,,,,,,,,0.0,0.0,0.0,,,,,,
CCOC(=O)C1CCCN(C(=O)Cc2c(F)cccc2Cl)C1,CID2963116,,,0.0,,,,,,,,,,,,,0.0,0.0
COC(=O)C1CCN(C(=O)Cc2ccc(Br)cc2)CC1,CID747387,0.0,,,,,,0.0,,,,0.0,,,,,,0.0
CCOC(=O)C1CCCN(C(=O)Cc2ccc(OC)c(OC)c2)C1,CID2904610,,,,,,,0.0,0.0,,,,,,,,,0.0
CC1CCCCN1C(=O)Cc1ccc(F)cc1,CID2915754,,,0.0,,,,,,,,,,,0.0,,0.0,
CC1CCCN(C(=O)Cc2ccc(F)cc2)C1,CID2915380,,,,,,,,0.0,,,,,,,,,
O=C(O)C1CCN(C(=O)Cc2ccccc2)CC1,CID280747,,,,,,,,,,,,,,0.0,0.0,,
CCOC(=O)C1CCN(C(=O)Cc2c(F)cccc2Cl)CC1,CID1094120,,,,,,,,,,,,,,0.0,,0.0,
CCCOC(=O)c1ccc(Nc2nc(=O)cc(C)[nH]2)cc1,CID1590140,,,,,,,,,0.0,,0.0,0.0,,,,,
CCOc1ccc(Nc2nc(=O)cc(CC(=O)OC)[nH]2)cc1,CID942261,,,,,,,0.0,,0.0,0.0,,,,,0.0,,
COc1ccccc1Nc1nc(=O)cc(C)[nH]1,CID716133,,0.0,,,,,0.0,0.0,0.0,0.0,,0.0,0.0,0.0,,,
CCCCCc1c(C)[nH]c(Nc2ccc(F)cc2)nc1=O,CID664750,,,,,,,,,,,,,0.0,,,,
COC(=O)c1ccc(Nc2nc(=O)cc(C)[nH]2)cc1,CID2791783,,,,0.0,,,0.0,,0.0,,0.0,0.0,,,,,
Cc1cc(=O)nc(Nc2cccc(C(F)(F)F)c2)[nH]1,CID658882,,,,0.0,,,,,0.0,0.0,,,,,,,0.0
COc1ccc(Nc2nc(=O)cc(C)[nH]2)cc1,CID716134,,,,,,,,,,,,,,0.0,,,
Cc1cc(=O)nc(Nc2ccc(C(=O)OC(C)C)cc2)[nH]1,CID734775,,,0.0,0.0,,,,,0.0,,,,,,0.0,,
Cc1ccc(Nc2nc(=O)c(CCC(C)C)c(C)[nH]2)cc1,CID664632,0.0,,0.0,,,0.0,,0.0,,,,,,,,0.0,
COc1ccc(Cl)cc1Nc1nc(=O)cc(C)[nH]1,CID734780,0.0,0.0,,0.0,,,,,,,,,,,0.0,0.0,0.0
CCCc1cc(=O)nc(Nc2cc(OC)ccc2OC)[nH]1,CID734783,0.0,0.0,,0.0,,,0.0,0.0,0.0,,,0.0,0.0,,,,
CCCc1cc(=O)nc(Nc2ccc(OC)c(Cl)c2)[nH]1,CID734787,,,0.0,0.0,,,,,,0.0,,,,,,0.0,0.0
COc1ccc(Nc2nc(=O)cc(C)[nH]2)c(OC)c1,CID3151787,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1ccc(Nc2nc(=O)cc(C)[nH]2)cc1,CID3151786,,,,,,0.0,,,0.0,,0.0,0.0,,0.0,,,
CCCCc1ccc(Nc2nc(=O)cc(CCC)[nH]2)cc1,CID2069435,,,,,,,,,,0.0,,0.0,,,,0.0,
CCCCCc1c(C)[nH]c(Nc2ccccc2)nc1=O,CID664376,,,,,,,0.0,,,,,,,,,0.0,
Cc1[nH]c(Nc2ccccc2)nc(=O)c1CCC(C)C,CID942735,,0.0,,,,,0.0,,,,,,,,,0.0,
Cc1[nH]c(Nc2ccc(F)cc2)nc(=O)c1CCC(C)C,CID945223,,,,0.0,,,,0.0,,,,0.0,,,,,
CCOc1ccc(Br)c(C2(O)CC(C)N(C)CC2C)c1,CID657809,0.0,,,,,,,,,,,,,,0.0,0.0,
CC(C)NC(=O)CN1CCC(O)(c2ccccc2)CC1,CID652677,0.0,,0.0,,,,0.0,,,0.0,,,,0.0,,,0.0
Cc1ccc(C2(O)CC(C)N(C)CC2C)cc1,CID550653,,,,,,0.0,0.0,,,,,,0.0,,,,
CC(O)C(NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)O,CID666264,,,0.0,,,,,0.0,,,,,,,,,
CC(=O)NC1(c2cccc(F)c2)CCN(CC(=O)NC(C)C)CC1,CID1444042,,,,,,0.0,,,,,,,,,,,
C=CCNC(=O)CN1CCC(O)(c2ccccc2)CC1,CID650451,,,,,,,0.0,,,0.0,,,0.0,,,,
Cc1ccc(C)c(C2(O)CC(C)N(C)CC2C)c1,CID550729,,,,,,,,0.0,,,,,,,,,0.0
C=CCNC(=O)CN1CCC(O)(c2ccc(F)cc2)CC1,CID653579,,,,0.0,,,,,,,,0.0,,,,,
CCOC(=O)N1CCC(O)(c2cc(C)c(C)cc2C)CC1,CID3243816,,,0.0,,,,,,,,,,,,0.0,0.0,0.0
CCS(=O)(=O)N1CCC(NC(C)=O)(c2ccccc2)CC1,CID652072,,0.0,0.0,,,0.0,,,,,,,,,,,
CN(C)S(=O)(=O)N1CCC(C(=O)O)(c2ccccc2)CC1,CID713101,,,,,,,,0.0,0.0,,0.0,0.0,0.0,0.0,,0.0,
CC(=O)C1(c2ccccc2)CCNCC1,CID101521,,,,,,,0.0,,,,,,,,,,
CC(C)(C)NC(=O)CN1CCC(O)(c2ccccc2)CC1,CID649927,,,,0.0,,,0.0,0.0,,0.0,,,,,,,0.0
CC1C(C)C(O)(c2ccccc2)CCN1C,CID2838298,,,,,,,,,,,0.0,,,,,,
CC(C)C(NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)O,CID666887,,,,,,,0.0,0.0,,,,,,,0.0,,
CC(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1,CID645006,,,,,,,0.0,,0.0,,,,,,,,
COc1ccc(C2(NC(C)=O)CCN(C(=O)CCC(=O)O)CC2)cc1,CID650485,,,0.0,,,,0.0,0.0,,,,,0.0,,,,0.0
OC1(c2ccc(Br)cc2)CCNCC1,CID93911,0.0,,,,,,,,,,,,,,,0.0,0.0
N#CCCN1CCN(CCC#N)CC1,CID77808,,0.0,,,,,0.0,,,,,,,,,,
CC(C)(C)C(=O)NCCN1CCN(C(=O)C(C)(C)C)CC1,CID832086,,,,,,,,,,,,0.0,,,0.0,,
CNC(=O)N1CCN(C(=O)NC)CC1,CID349503,,,,,,,,,,,,0.0,,,,,
CN(C)C(=O)N1CCN(C(=O)N(C)C)CC1,CID654698,,0.0,,,,,,,0.0,,,,0.0,,,,
CCC(=O)NCCN1CCN(C(=O)CC)CC1,CID718529,,,,0.0,,,,,,,,0.0,,,,,0.0
CC1CN(S(=O)(=O)N(C)C)CCN1S(=O)(=O)N(C)C,CID2983151,,,,,,,,,,,,0.0,,,,,
CCS(=O)(=O)N1CCN(C(=O)CC(C)C)CC1,CID719632,,,,,,,,,0.0,,,,,,,,
COC(=O)N1CC(C)N(C(=O)OC)CC1C,CID2933274,,,,,,,,0.0,,0.0,,,,,,,
CCCCCCC(=O)NN1CCN(C)CC1,CID1743283,,,,,,,,,,,,0.0,,,,,
NCCN1CCN(CCN)CC1,CID81020,,,,,,,,,0.0,,,,,,,,
CC1CN(C(=O)N(C)C)CCN1C(=O)N(C)C,CID3151560,,,,0.0,,,,0.0,,,,,,,,,
CN(C)S(=O)(=O)N1CCN(S(=O)(=O)N(C)C)CC1,CID223613,,,,,,,,,,,,0.0,,,,,
CS/C(=N\C#N)N1CCN(/C(=N/C#N)SC)CC1,CID567550,,,,,,,,,,,,,,,0.0,,
CCC(CC)C(=O)NCCN1CCN(C(=O)C(CC)CC)CC1,CID832075,,,,,,0.0,,,,,,,,,0.0,,
CC(C)=CCC/C(C)=C/CCC(C)NCCN1CCNCC1,CID5389110,,,,,,0.0,,,,,,,,,,,
CC1(C)CN(O)CCN1O,CID662275,,,,,,,0.0,,,,,,,,,,
CC(C)CC(=O)N1CCN(S(C)(=O)=O)CC1,CID3150575,,,,,,,,,,,,0.0,,,,,
CC(=O)NCN1CCN(CNC(C)=O)CC1,CID754393,,0.0,,0.0,,,,,,,,,,,,,
Cc1ccc(C(=O)c2coc3ccc(O)c(Cl)c23)cc1,CID788172,,,,,,,,,,0.0,,,,0.0,,,
COc1ccc(OC)c(C(=O)c2coc3ccc(O)cc23)c1,CID626866,,,0.0,0.0,,0.0,,0.0,0.0,,0.0,,,0.0,,0.0,
Cc1ccc(C(=O)c2coc3cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c23)cc1,CID1422370,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)c2coc3ccc(O)c(CN(C)C)c23)cc1,CID34617,0.0,,,,0.0,0.0,,0.0,,,,,,,,0.0,
COc1ccc(OC)c(C(=O)c2coc3ccc(OC)cc23)c1,CID628469,,,,,,,,0.0,0.0,,,,,,0.0,,
Cc1ccc(C(=O)c2coc3ccc(OCC(=O)O)cc23)cc1,CID755497,,,,,,,,,0.0,,,,0.0,,,,
O=C(O)COc1ccc2occ(C(=O)c3ccccc3)c2c1,CID755496,,,,,,,,,0.0,,,,,,,,
COc1ccc(C(=O)c2c(C)oc3cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c23)cc1,CID2213432,,,,,,,,,,,,,,,0.0,,
CC(=O)C(C(C)=O)c1c(Cl)c(O)c(O)c2c(C(=O)c3ccccc3)coc12,CID665013,0.0,,,,,,,,,,,,,,,,
CCN(CC)Cc1c(O)ccc2occ(C(=O)c3ccc(OC)cc3)c12,CID1208154,,,,,,,,,,,0.0,,,,,,
CN(C)Cc1c(O)ccc2occ(C(=O)c3ccccc3)c12,CID34611,0.0,,,0.0,,,0.0,0.0,,,,,,,,0.0,0.0
O=C(c1ccc(Cl)cc1)c1coc2ccc(O)cc12,CID914303,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C(C(C)=O)c1c(Br)c(O)c(O)c2c(C(=O)c3ccc(C)cc3)coc12,CID663373,,,,,,,,,,,,,,,,,0.0
COc1ccc2occ(C(=O)c3ccc(/N=C(\C)N(C)C)cc3)c2c1,CID2876461,,,,,0.0,,,,,,,,,,,,0.0
COc1ccc(OC)c(C(=O)c2coc3ccc(O)c(CN(C)C)c23)c1,CID1047224,,,,,,0.0,,,,,,,,,,,
COc1ccc2occ(C(=O)c3ccccc3)c2c1,CID619852,,,,,,,,,,,,,,0.0,,,
COc1ccc2occ(C(=O)c3ccc([N+](=O)[O-])cc3)c2c1,CID877203,,,,,,0.0,,,,,,,,,,,
O=C(c1ccccc1)c1coc2ccc(O)c(Cl)c12,CID664699,,,,,,,,,,0.0,,,,0.0,0.0,,
Cc1ccc(C)c(NC(=O)CS(=O)(=O)c2c[nH]c3ccccc23)c1,CID751479,,,,,0.0,0.0,0.0,,,,,,,0.0,,0.0,
Cc1cccc(NC(=O)CS(=O)(=O)c2c[nH]c3ccccc23)c1C,CID751478,,,,,0.0,,,,,,,,0.0,0.0,,0.0,
CCOc1ccc(NC(=O)CS(=O)(=O)c2cn(CC)c3ccccc23)cc1,CID2157578,,,,,,,,,,0.0,0.0,,,,,,
CCOC(=O)c1ccc(NC(=O)CS(=O)(=O)c2cn(CC)c3ccccc23)cc1,CID2157573,,,,,,0.0,,,,,,,,,,,
CCn1cc(S(=O)(=O)CC(=O)Nc2cccc(C)c2)c2ccccc21,CID2157577,0.0,,,,,,0.0,0.0,,,,,,,,,0.0
CCn1cc(S(=O)(=O)CC(=O)Nc2ccc(C)cc2)c2ccccc21,CID2157576,,,,,,,,,,,0.0,,,,,,
CCn1cc(S(=O)(=O)CC(=O)Nc2ccc(OC)cc2)c2ccccc21,CID2157574,,,,0.0,,,0.0,,,,0.0,,0.0,,,0.0,
CCCn1cc(S(=O)(=O)CC(=O)Nc2ccc(OCC)cc2)c2ccccc21,CID2157597,,0.0,,,,,0.0,,,0.0,,,,,,,
Cc1ccc(NC(=O)CS(=O)(=O)c2c[nH]c3ccccc23)c(C)c1,CID751480,,,,,0.0,,0.0,,,,0.0,,,0.0,,,
CCn1cc(S(=O)(=O)CC(=O)Nc2cc(C)ccc2C)c2ccccc21,CID2157580,0.0,,0.0,,,,,0.0,,,,0.0,,,0.0,,0.0
Cn1cc(S(=O)(=O)CC(=O)Nc2ccc(Br)cc2)c2ccccc21,CID2053103,0.0,,,,,,,,0.0,,,,,0.0,,0.0,0.0
CCOc1ccc(NC(=O)CS(=O)(=O)c2cn(C)c3ccccc23)cc1,CID2157553,,,,,,,,,,,,,,,0.0,,
Cc1cccc(NC(=O)CS(=O)(=O)c2cn(C)c3ccccc23)c1,CID2157552,0.0,,,0.0,,,,,,,,,,,,0.0,0.0
Cc1ccc(C)c(NC(=O)CS(=O)(=O)c2cn(C)c3ccccc23)c1,CID2157555,,,0.0,,,,0.0,,,,,0.0,,,,,0.0
Cc1cccc(NC(=O)CS(=O)(=O)c2cn(C)c3ccccc23)c1C,CID2157554,,,,,,,,,,,,,,,0.0,0.0,
Cc1ccc(NC(=O)CS(=O)(=O)c2cn(C)c3ccccc23)c(C)c1,CID2157556,0.0,,0.0,,,,0.0,,,,0.0,,,,,,0.0
CCCn1cc(S(=O)(=O)CC(=O)Nc2ccc(OC)cc2OC)c2ccccc21,CID2157601,,,,,,,0.0,,,0.0,0.0,,,,,,
CCOc1ccc(C(C)=O)cc1N1C(=O)C2C3C=CC(C3)C2C1=O,CID3238047,,,,,,,,,,0.0,,,,,,,
CC(=O)Oc1cccc(N2C(=O)C3C4C=CC(C4)C3C2=O)c1,CID2831244,,,,,,0.0,,,,0.0,,,,,,,
Cc1cc(N2C(=O)C3C4C=CC(C4)C3C2=O)ccc1Br,CID647151,0.0,,,,,,0.0,,,,,,,,,0.0,
CCS(=O)(=O)c1ccc(O)c(N2C(=O)C3C4C=CC(C4)C3C2=O)c1,CID650027,,,,,,,,,,,,0.0,,,,,
CC12C(=O)N(c3ccccc3C(=O)O)C(=O)C1C1C=CC2C1,CID3242871,,,,,,,,0.0,,,,,,,,0.0,0.0
Cc1ccc(N2C(=O)C3C4C=CC(C4)C3C2=O)cc1C,CID3242877,,,0.0,,,,0.0,0.0,,0.0,,,0.0,,,,0.0
COc1ccccc1N1C(=O)C2C3C=CC(C3)C2(C)C1=O,CID2925819,,,,,,,0.0,,,,,,0.0,,,,
Cc1cc(C)cc(N2C(=O)C3C4C=CC(C4)C3C2=O)c1,CID652536,,,,,,,0.0,,,0.0,,,,,,,
CCOC(=O)c1ccccc1N1C(=O)C2C3C=CC(C3)C2C1=O,CID4429840,,,,,,0.0,,,,,,,,,,,
Cc1cccc(N2C(=O)C3C4C=CC(C4)C3C2=O)c1,CID652379,,,,,,,0.0,,,0.0,,,,,,,0.0
COc1ccccc1N1C(=O)C2C3C=CC(C3)C2C1=O,CID656323,,,,,,,,,,,,,0.0,,,,
Cc1cccc(N2C(=O)C3C4C=CC(C4)C3(C)C2=O)c1,CID2924822,,,0.0,,,,,,,0.0,,,,,,,0.0
O=C1C2C3C=CC(C3)C2C(=O)N1c1ccccc1,CID300678,,,,,,,,,,,,0.0,,,,,
Cc1ccc(N2C(=O)C3C4C=CC(C4)C3C2=O)cc1,CID653789,,,,,,,,,,,,0.0,0.0,,,,
Cc1ccc(C(=O)O)cc1N1C(=O)C2C3C=CC(C3)C2C1=O,CID2865535,,,,,,0.0,,,,,,,,,,,
COC(=O)c1ccccc1N1C(=O)C2C3C=CC(C3)C2C1=O,CID659300,,,,,,,0.0,,,0.0,,,0.0,,,,0.0
CC(=O)COC(=O)c1cccc(N2C(=O)C3C4C=CC(C4)C3C2=O)c1,CID4531049,0.0,,0.0,,,,,,,,,,0.0,,,,
CCC(C(=O)NCc1ccccc1)c1ccccc1,CID2889610,,,,,,0.0,,,,,,,,,,,
CC(NC(=O)Cc1ccc(F)cc1)c1ccccc1,CID2914976,,,,,,,,,,,,,,0.0,,,
O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccccc1Cl,CID888341,,,,,,,,,,,,,,0.0,,,
COC(C(=O)NCc1ccccc1C)c1ccccc1,CID2897270,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(CC(=O)O)NC(=O)Cc2ccccc2)cc1,CID3237759,,,0.0,,,,,,,,,,,,,0.0,
CCC/C=C(\CCC)C(NC(=O)Cc1ccccc1)c1ccc(C(=O)OC)cc1,CID5771797,,,,,,,,,,,,,,0.0,,,
O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccc(Cl)cc1,CID2172543,,,,,,,,,,,,,,,0.0,,
CC(NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1,CID2874626,,,,,,,,,,,,,,,0.0,,
COc1ccccc1CNC(=O)Cc1ccc(C)cc1,CID890401,,,,,,,,,,,,,,,0.0,,
Cc1ccccc1CNC(=O)Cc1ccccc1[N+](=O)[O-],CID951612,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccc(CC(=O)NCc2ccc(Cl)cc2)cc1,CID890251,,,,,,,,,,,,,,0.0,,,
COc1ccc(CC(=O)NC(CC(=O)O)c2ccc(OC)cc2)cc1,CID3235616,,,,,,0.0,,0.0,,,0.0,,,0.0,,,
NS(=O)(=O)c1ccc(CNC(=O)Cc2ccccc2F)cc1,CID2572571,,,,,,,,,,,,,,0.0,,,
O=C(Cc1ccc(F)cc1)NCc1ccccc1,CID1350924,,,,,,0.0,,,,,,,,,,,
COc1cccc(CNC(=O)Cc2ccc(Br)cc2)c1,CID2106954,,,,,,,,,,,,,,,0.0,,
Cc1ccc(CC(=O)NCc2ccc(F)cc2)cc1,CID894790,,,,,,,,,,,,,,0.0,,,
CCOC(=O)CC(NC(=O)Cc1ccc(F)cc1)c1ccccc1Cl,CID4553142,,,,,,,,,,,,,,,0.0,,
CCC(=O)Oc1ccc(-c2nc(-c3cccnc3)no2)cc1,CID666711,,,,,,0.0,0.0,0.0,,,,,,0.0,,,
COc1cc(-c2nc(-c3ccc(C)nc3OC)no2)cc(OC)c1OC,CID663703,0.0,,0.0,0.0,,,,,0.0,0.0,,,0.0,,,,
CC(=O)Oc1ccc(-c2nc(-c3cccnc3)no2)cc1,CID2233682,,0.0,,,,,,0.0,,,,,0.0,,,,
CCCCOc1ccc(-c2nc(-c3cccnc3)no2)cc1,CID2208252,,0.0,,,,,0.0,,0.0,,,,,,0.0,,
CCOc1cc(-c2nc(-c3ccc(C)nc3OC)no2)cc(OCC)c1OCC,CID1091863,0.0,,,0.0,0.0,,,,0.0,,,,0.0,,,,
CCOc1ccc(-c2nc(-c3cccnc3)no2)cc1OCC,CID976282,,,,,,,,,0.0,,0.0,,,0.0,,,
COc1ccccc1-c1nc(-c2ccc(C)nc2OC)no1,CID913814,0.0,,,0.0,,,,0.0,,,,,0.0,0.0,0.0,,
Clc1ccc(Br)cc1-c1nc(-c2cccnc2)no1,CID977934,,,,,,,,,,,,,,,,,0.0
Cc1c(-c2nc(-c3cccnc3)no2)cccc1[N+](=O)[O-],CID695731,,,,,,,,,,,,,,,0.0,,
Cc1ccc(-c2nc(-c3cccnc3)no2)c(C)c1,CID925366,,,,,,,,0.0,,,,,,,0.0,,
Cc1ccc(-c2nc(-c3cccnc3)no2)cc1,CID763864,,,,0.0,,,,0.0,,,,,,,,,
CCOc1ccccc1-c1nc(-c2ccc(C)nc2OC)no1,CID648645,,,0.0,,,,,0.0,,,,,,,,,
CCOc1ccc(-c2nc(-c3cccnc3)no2)cc1,CID845667,,,,,,,,,,,0.0,,,,,,
CCOc1nc(C)ccc1-c1noc(-c2ccccc2OC)n1,CID655513,,,0.0,,,,,,0.0,,,,0.0,0.0,,,
CCOc1cc(-c2nc(-c3ccc(C)nc3OCC)no2)cc(OCC)c1OCC,CID1091871,,,,,0.0,,,,,0.0,0.0,0.0,0.0,,,,
Clc1ccccc1-c1nc(-c2cccnc2)no1,CID877120,,,0.0,,,,,,,,,,,,,,
Cc1ccccc1-c1nc(-c2cccnc2)no1,CID646999,0.0,,0.0,,,,,0.0,,,,,,,,,
CSCCC1(C(=O)O)NC(c2ccccc2O)C2C(=O)N(C(C)C)C(=O)C21,CID3964480,,,,,,,,,,,,,,,0.0,,
CCN1C(=O)C2C(c3ccc(O)c(OC)c3)NC(C)(C(=O)OC)C2C1=O,CID650767,,,,0.0,0.0,,,,,,,,0.0,,,,
COC(=O)C1(CCSC)NC(c2ccccc2OC)C2C(=O)N(C)C(=O)C21,CID646904,,,,,,,,,,0.0,,,,,,,0.0
CCOC(=O)C1(CC)NC(c2cccc(F)c2)C2C(=O)N(CC)C(=O)C21,CID644581,,,,,,,,0.0,,,0.0,,0.0,,,,
CCOC(=O)C1(C)NC(c2ccc(N(C)C)cc2)C2C(=O)N(CC)C(=O)C21,CID649800,,,,,,,,0.0,,,,,0.0,,,,
CCN1C(=O)C2C(c3cccc(F)c3)NC(C)(C(=O)OC)C2C1=O,CID651879,,,,0.0,,,,,,,,,,,,,0.0
COc1cccc(C2NC(CCSC)(C(=O)O)C3C(=O)N(C(C)C)C(=O)C23)c1O,CID4014740,,,,,,,,,,,,0.0,,,,,
CC(C)N1C(=O)C2C(c3ccccc3O)NC(C)(C(=O)O)C2C1=O,CID3875712,,,,,,,,0.0,,,,,,0.0,,,
CCC1(C(=O)OC)NC(c2ccccc2OC)C2C(=O)N(C)C(=O)C21,CID645284,,,,,,,,0.0,,,,,,,,,
CCCC1(C(=O)OC)NC(c2cc(OC)c(OC)c(OC)c2)C2C(=O)N(CC)C(=O)C21,CID651647,,,0.0,,,,,,,,,,,,,,0.0
CCCCN1C(=O)C2C(c3ccc(OC)cc3O)NC(CC(C)C)(C(=O)O)C2C1=O,CID4276496,,,,,,,0.0,,,,,,,,,,
CCOC(=O)C1(C)NC(c2ccc(OC)c(OC)c2)C2C(=O)N(CC)C(=O)C21,CID647416,,,,0.0,,,,0.0,,,,,,,,,0.0
CCOC(=O)C1(C)NC(c2cc(OC)c(OC)c(OC)c2)C2C(=O)N(CC)C(=O)C21,CID654195,,,,,,,,0.0,,,,,,,,,
CCC1(C(=O)OC)NC(c2cccc(F)c2)C2C(=O)N(C)C(=O)C21,CID653820,,,,,,,,,,0.0,,,,,,,0.0
CCN1C(=O)C2C(c3cccc(F)c3)NC(CC)(C(=O)OC)C2C1=O,CID648847,,,0.0,,,,,0.0,,,,,,,,,0.0
CCCC1(C(=O)OC)NC(c2cccc(F)c2)C2C(=O)N(CC)C(=O)C21,CID651985,,,,,,,,0.0,,,,,,,,,
CCOC(=O)C1(CC)NC(c2ccc(N(C)C)cc2)C2C(=O)N(C)C(=O)C21,CID654689,,,,,,,0.0,,,,,,,0.0,,0.0,
CCOC(=O)Cc1c(C)nc2c(-c3ccccc3)c[nH]n2c1=O,CID655077,,,,,0.0,,,,0.0,,,,0.0,,0.0,,
CCOC(=O)Cc1cc(=O)n2[nH]c(C)c(-c3ccc(OC)cc3)c2n1,CID2236750,,,,0.0,0.0,,,,0.0,,0.0,,,,,,
CCOC(=O)Cc1cc(=O)n2[nH]cc(-c3ccc(Cl)cc3)c2n1,CID1078583,,,,,,,,,,,,,,,0.0,,
CCOC(=O)Cc1cc(=O)n2[nH]c(C)c(-c3ccc(Cl)cc3)c2n1,CID1078574,,,,,,,,,,0.0,,,,,0.0,,
CCOC(=O)Cc1c(C)nc2c(-c3ccc(Cl)cc3)c(C)[nH]n2c1=O,CID1075697,,,,,,0.0,,,,0.0,,,,,,,
Cc1[nH]n2c(=O)cc(C(C)C)nc2c1-c1ccccc1,CID666835,0.0,,,,,0.0,,,,,,0.0,,,,,
Cc1nc2c(-c3ccccc3)c(C)[nH]n2c(=O)c1Cl,CID1855778,0.0,0.0,,,,,,,,,,,,,,,
CCOC(=O)Cc1cc(=O)n2[nH]c(C)c(-c3ccccc3)c2n1,CID654182,,0.0,,0.0,0.0,,,0.0,0.0,,0.0,,0.0,,,0.0,
CCOC(=O)Cc1c(C)nc2c(-c3cccc(Br)c3)c[nH]n2c1=O,CID1209937,0.0,,,,,,,,,,,,,,0.0,0.0,0.0
CCCc1cc(=O)n2[nH]c(C)c(-c3ccccc3)c2n1,CID666033,0.0,,,,,,,0.0,,,,,,,,,
Cc1cc(=O)n2[nH]c(C)c(-c3ccccc3)c2n1,CID879154,,,,0.0,,,0.0,,,,,0.0,0.0,,,0.0,0.0
Cc1cc(=O)n2[nH]c(C)c(-c3ccc(Cl)cc3)c2n1,CID753150,0.0,,0.0,0.0,,,,,,0.0,,,,,,0.0,
CCc1cc(=O)n2[nH]c(C)c(-c3ccccc3OC)c2n1,CID3156107,0.0,,,,0.0,,,0.0,0.0,,,0.0,0.0,,,,
COC(=O)Cc1cc(=O)n2[nH]c(C)c(-c3ccccc3)c2n1,CID1941169,,,,,,,,,0.0,,,,,,0.0,,
Cc1[nH]n2c(=O)cc(C(C)(C)C)nc2c1-c1ccccc1,CID665720,0.0,,0.0,,,,0.0,,0.0,,,0.0,,,,0.0,0.0
CCOC(=O)Cc1c(C)nc2c(-c3ccccc3)c(C)[nH]n2c1=O,CID753217,,,,,,,,,0.0,,,0.0,,0.0,,,
CCOC(=O)Cc1c(C)nc2c(-c3ccc(Cl)cc3)c[nH]n2c1=O,CID753212,0.0,,0.0,,,,0.0,,,0.0,,,,,0.0,0.0,0.0
O=C(Nc1ccc(F)c(F)c1)c1ccc2c(c1)OCO2,CID673500,,,,,,,,,,,,0.0,0.0,,,0.0,0.0
CCC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)OCO3)c1,CID647324,0.0,,,0.0,,,,,0.0,,,0.0,,,,,
CCCC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)OCO3)c1,CID649298,0.0,,,,,,0.0,0.0,,,,0.0,0.0,,,,
CCCCC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1OC,CID2955951,,,0.0,0.0,,,,0.0,0.0,,,,,,,,
O=C(Nc1ccc(Cl)cc1)c1ccc2c(c1)OCO2,CID669588,,,,,,,,,,0.0,0.0,,0.0,,,,0.0
CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1,CID785868,,,,,,,0.0,0.0,,0.0,,,0.0,,,,
O=C(Nc1ccccc1)c1ccc2c(c1)OCO2,CID876453,,,,,,,,,0.0,0.0,,,,,,,
COc1ccc(C)cc1NC(=O)c1ccc2c(c1)OCO2,CID647869,,,,,,,,,0.0,0.0,,,,,0.0,0.0,
O=C(Nc1cccc(F)c1)c1ccc2c(c1)OCO2,CID876790,,,,,,,,0.0,,,,,,,,,0.0
Cc1ccc(F)cc1NC(=O)c1ccc2c(c1)OCO2,CID891602,,,,,,,,0.0,,,,,,,,,
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc2c(c1)OCO2,CID903655,,,,,,,,,,,,,,0.0,,,
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2c(c1)OCO2,CID903428,,,,,,,,,,,,,,,0.0,,
COC(=O)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1,CID876555,,,,0.0,,,,0.0,,0.0,0.0,,0.0,,0.0,0.0,
COc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1NC(=O)C(C)C,CID647009,,0.0,,,,,,,0.0,,,0.0,,,,,
CCCCC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)OCO3)c1,CID2207694,0.0,,,0.0,,,0.0,,0.0,,0.0,,0.0,,,0.0,0.0
CCC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1,CID969076,,,,,,,,,,,,0.0,,,,,
COc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1Cl,CID969075,0.0,,,0.0,,,,,,,,0.0,,0.0,,0.0,0.0
O=C(CCN1CCCCC1)Nc1ccc(Br)cc1,CID772963,,,,,,,,,0.0,,0.0,0.0,,,0.0,0.0,0.0
COc1cccc(NC(=O)CCN2CCC(C(N)=O)CC2)c1,CID2900415,,,,,0.0,,,0.0,,0.0,,,0.0,,,,
COc1ccc(NC(=O)CCN2CCCCC2)cc1,CID652039,,,,0.0,,,0.0,0.0,,0.0,,0.0,0.0,,,,
CCOC(=O)C1CCN(CCC(=O)Nc2ccccc2)CC1,CID739985,,,,,,,,,0.0,,,0.0,,,,,
NC(=O)C1CCN(CCC(=O)Nc2ccc(Br)cc2)CC1,CID660887,0.0,,,,,,,,,,,0.0,,,,,0.0
CC1CC(C)CN(CCC(=O)Nc2cccc(Cl)c2)C1,CID581073,,,,,,,,,,,,,0.0,,,0.0,
CCOC(=O)C1CCN(CCC(=O)Nc2ccc(Cl)cc2)CC1,CID740109,,,,,,,,,,0.0,,,,,,,
COc1ccc(NC(=O)CCN2CCC(C)CC2)cc1,CID574473,,,,,,,,,,0.0,,,,,,,0.0
CCOc1ccc(NC(=O)CCN2CCCCC2)cc1,CID647935,,,,,,,0.0,,,0.0,,0.0,,,,,0.0
CCOC(=O)C1CCN(CCC(=O)Nc2cccc(Cl)c2)CC1,CID740068,,,,,,,,,,0.0,,,,,,0.0,0.0
NC(=O)C1CCN(CCC(=O)Nc2cccc(Cl)c2)CC1,CID740062,,0.0,,,,,,,,,,,,,0.0,,
COc1ccc(OC)c(NC(=O)CCN2CCCCC2)c1,CID772528,,,,0.0,,,0.0,0.0,,,,0.0,,,,,
CCOC(=O)C1CCN(CCC(=O)Nc2cccc(Cl)c2C)CC1,CID652010,,,0.0,,,,0.0,,,0.0,,,0.0,,,0.0,0.0
Cc1c(Cl)cccc1NC(=O)CCN1CCCCC1,CID739909,,0.0,,0.0,,,,,,0.0,,,0.0,,,0.0,0.0
COc1ccc(NC(=O)CC(C(=O)O)N2CCCCC2)cc1,CID2957887,,,,,,,,,,,,0.0,,,,,
Cc1c(Cl)cccc1NC(=O)CCN1CCCC(C)C1,CID651070,,,0.0,,,0.0,0.0,,,,,,,,,,0.0
COc1ccc(NC(=O)CCN2CCCC(C)C2)cc1,CID2900882,,,,,,,,,,0.0,,,,,0.0,,0.0
CCc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=O)Nc3ccccc3)cc2c1,CID651257,0.0,,,,,0.0,,0.0,0.0,,,,,,,0.0,0.0
COc1ccc2[nH]c(=O)c(CN(CCCN(C)C)C(=O)Nc3ccccc3)cc2c1,CID644672,0.0,,0.0,0.0,,,,,0.0,,0.0,,,,,0.0,0.0
Cc1cccc2cc(CN(CCCO)C(=O)Nc3cccc(Cl)c3)c(=O)[nH]c12,CID650814,0.0,,,0.0,,,,,,,,,,,,,
COc1ccc(NC(=O)N(CCCN(C)C)Cc2cc3cc(OC)ccc3[nH]c2=O)cc1,CID655825,,,0.0,,,,,0.0,,,,,,,,,0.0
CCN(CC)CCCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)Nc1ccccc1,CID651613,0.0,,0.0,,,,0.0,,,,,,,,,0.0,
CCN(CC)CCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)Nc1ccccc1OC,CID647231,0.0,,,,,,,,0.0,,,,,,,,
Cc1cccc2cc(CN(CCCO)C(=O)Nc3ccc(Cl)cc3)c(=O)[nH]c12,CID649867,,,,,,,,,,,,,,,,0.0,0.0
Cc1cc(C)c2cc(CN(CCO)C(=O)Nc3ccc(Cl)cc3)c(=O)[nH]c2c1,CID653169,0.0,,,0.0,,,0.0,,,0.0,,,,,,0.0,0.0
Cc1cccc2cc(CN(CCCO)C(=O)Nc3ccccc3Cl)c(=O)[nH]c12,CID654243,0.0,,,0.0,,,,,,,,0.0,,,,,
CCc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=O)Nc3ccccc3OC)cc2c1,CID653783,,0.0,0.0,,,0.0,,,,,0.0,,0.0,,,0.0,0.0
COc1ccc(NC(=O)N(CCO)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1,CID651344,0.0,,,,,,,,0.0,,,,,,,,0.0
CCN(CC)CCCN(Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C(=O)Nc1ccccc1,CID3194852,,,,,,,,,0.0,,,,,,0.0,,
CCc1ccc2[nH]c(=O)c(CN(CCN(CC)CC)C(=O)Nc3ccccc3OC)cc2c1,CID654538,,,,,,,,,0.0,,,,,,,,0.0
COc1ccccc1NC(=O)N(CCN(C)C)Cc1cc2cc(C)ccc2[nH]c1=O,CID649457,0.0,,,0.0,,,,,0.0,,0.0,,,,,0.0,0.0
COc1ccc2[nH]c(=O)c(CN(CCCN(C)C)C(=O)Nc3ccc(F)cc3)cc2c1,CID644638,,,,,,,,,0.0,,,,,,,,
CCN(CC)CCCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)Nc1ccc(F)cc1,CID654411,,0.0,0.0,,,,,,,,0.0,,,,0.0,,
Cc1cc(C)c2cc(CN(CCO)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2c1,CID654416,,,0.0,,,,,,,,,,,,,,
CCOc1ccccc1NC1=C(Cl)C(=O)N(c2ccccc2)C1=O,CID720252,,,,,,,,,,,,,,0.0,,,
COc1ccccc1NC1=C(Cl)C(=O)N(c2ccccc2)C1=O,CID718925,,,,,,,,,,,,,,0.0,,,
CCN(C1=C(Cl)C(=O)N(c2ccccc2)C1=O)c1ccccc1,CID720230,,,,,,0.0,,,,,,,,,,,
O=C1C(Cl)=C(Nc2ccccc2O)C(=O)N1c1ccccc1,CID644485,,,,,,,,,,0.0,,,,,,,0.0
COc1ccc(NC2=C(Cl)C(=O)N(c3ccccc3Cl)C2=O)c(OC)c1,CID1185252,,,,,,0.0,,,,,,,,,,,
O=C(O)c1ccc(NC2=C(Cl)C(=O)N(c3cccc(Cl)c3)C2=O)cc1,CID1185316,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(NC2=C(Cl)C(=O)N(c3ccccc3)C2=O)cc1,CID720253,,,,,,0.0,,,,,,,,,,,
COc1ccc(N2C(=O)C(Cl)=C(Nc3ccc(OC)cc3OC)C2=O)cc1,CID1033970,,,,,,0.0,,,,,,,,,,,
CCOc1ccccc1NC1=C(Cl)C(=O)N(c2ccc(OC)cc2)C1=O,CID1033972,,,,,,,,,,,,,,0.0,,,
COc1ccc(N2C(=O)C(Cl)=C(Nc3ccccc3O)C2=O)cc1,CID713405,,,,,,,,,,0.0,,,,,,,
CCOc1ccc(NC2=C(Cl)C(=O)N(c3cccc(Cl)c3)C2=O)cc1,CID1185309,,,,,,0.0,,,,,,,,,,,
COc1ccc(N2C(=O)C(Cl)=C(Nc3ccc(F)cc3)C2=O)cc1,CID720301,,,,,,0.0,,,,,,,,,,,
COc1ccc(N2C(=O)C(Cl)=C(Nc3ccc(C)c(Cl)c3)C2=O)cc1,CID1033962,,,,,,0.0,,,,,,,,,,,
Cc1ccc(N2C(=O)C(Cl)=C(Nc3ccc(F)cc3)C2=O)c(C)c1,CID710561,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(N2C(=O)C(Cl)=C(Nc3ccccc3O)C2=O)cc1,CID1092071,,,,,,,,,,,,0.0,,,,,
COc1ccc(NC2=C(Cl)C(=O)N(c3cccc(C)c3C)C2=O)cc1,CID1182465,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC2=C(Cl)C(=O)N(c3ccccc3)C2=O)c(OC)c1,CID1033953,,,,,,,,,,,,,,0.0,,,
CCSc1nnc(NC(=O)Cc2ccccc2OC)s1,CID2701522,,,,,,,,,0.0,0.0,,,,0.0,0.0,,
COCCSc1nnc(NC(=O)Cc2ccccc2OC)s1,CID644551,0.0,0.0,0.0,0.0,0.0,,0.0,,0.0,,,,,0.0,,,0.0
COc1ccc(CC(=O)Nc2nncs2)cc1OC,CID647434,0.0,0.0,,0.0,,,,0.0,,0.0,,0.0,0.0,,,,0.0
CC(C)(C)c1nnc(NC(=O)Cc2ccc(Br)cc2)s1,CID1321747,,,,,,,,,,,,,,,0.0,,
COc1ccc(CC(=O)Nc2nnc(C)s2)cc1,CID903215,,,,,,,,,,0.0,0.0,0.0,,,,,
CCOCCc1nnc(NC(=O)C(CC)c2ccccc2)s1,CID2972072,,,,,,,,,,,,0.0,,,,,
CCOCCc1nnc(NC(=O)Cc2ccccc2)s1,CID1633910,,0.0,,0.0,,,,,0.0,0.0,,,0.0,,,0.0,0.0
CCOCCc1nnc(NC(=O)Cc2ccc(Br)cc2)s1,CID2226539,,,,,,,,,0.0,,,,,,,,
CCc1nnc(NC(=O)Cc2ccc(OC)cc2)s1,CID744048,,,,,,,,,,0.0,0.0,,,,,,
CCc1nnc(NC(=O)Cc2ccc(Br)cc2)s1,CID971012,,,,,,,,,,,,,,0.0,,,
CCSc1nnc(NC(=O)Cc2ccc(OC)cc2)s1,CID822630,,,,,,0.0,,,0.0,0.0,0.0,,,,0.0,,
Cc1ccc(CC(=O)Nc2nncs2)cc1,CID647921,,0.0,0.0,,,,0.0,,,,0.0,,,,,,
COc1ccc(CC(=O)Nc2nnc(C(C)C)s2)cc1,CID2180719,,,,,,,,,,,,,,,0.0,,
COCCSc1nnc(NC(=O)Cc2ccc(OC)cc2)s1,CID2218556,,,,,,,,,,,,,,,0.0,,
CCSc1nnc(NC(=O)Cc2ccc(OC)c(OC)c2)s1,CID2084622,,,,,,,,,0.0,0.0,0.0,,,,,,
CC(C)c1nnc(NC(=O)Cc2ccc(Br)cc2)s1,CID887779,,,,,,,,,,,,,,0.0,,,
COCCc1nnc(NC(=O)Cc2ccccc2)s1,CID647858,,,,,,,,0.0,,0.0,,,0.0,,,,0.0
COC(=O)C1CCC(C)(C(=O)Nc2ccccc2)C1(C)C,CID3241776,,,,,,,,0.0,,,,,,,,,0.0
COc1ccc(NC(=O)C2CCC(C)(C(=O)O)C2(C)C)cc1,CID579629,,,,,,,,,,,,,,,,,0.0
CCc1cccc(NC(=O)C2CCCC2)c1,CID898015,,,,,,,,0.0,,0.0,,,0.0,,,0.0,
O=C(Nc1cc(C(F)(F)F)ccc1F)C1CCCC1,CID2224677,,,,,,,,,0.0,,,,,,,,
Cc1ccccc1NC(=O)C1CCC(C)(C(=O)O)C1(C)C,CID246555,,,,,,,0.0,0.0,,,0.0,,,,,,
CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)C1CCCC1,CID7551341,,,,,,,,,,,,,,,0.0,,
COc1cc(NC(=O)C2CCCC2)c(OC)cc1Cl,CID873730,0.0,0.0,0.0,,,0.0,,,,0.0,,,0.0,0.0,,,0.0
COC(=O)c1ccccc1NC(=O)C1CCCC1,CID895998,,,,,,,0.0,,0.0,,0.0,,,0.0,0.0,,
CCOc1ccc(NC(=O)C2CCC(C)(C(=O)O)C2(C)C)cc1,CID246560,,,,,,,0.0,0.0,,,,,,,,,
CC(=O)c1cccc(NC(=O)C2CCCC2)c1,CID887674,,,,,,,,,,,,,0.0,,,,
Cc1cc(C)cc(NC(=O)C2CCCC2)c1,CID837844,,,,,,0.0,,,,,,0.0,,,,0.0,
CC(=O)c1ccc(NC(=O)C2CCC(C)(C(=O)O)C2(C)C)cc1,CID2848785,,,0.0,,,,0.0,,,,,,,,,,
Cc1ccc(C)c(NC(=O)C2CCC(C)(C(=O)O)C2(C)C)c1,CID3094918,,,,,,,0.0,,,,,,,,,,
CC1(C(=O)O)CCC(C(=O)Nc2ccccc2)C1(C)C,CID98319,,0.0,,,,,,,,,,0.0,,,0.0,,0.0
CC1(C(=O)O)CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1(C)C,CID2878628,,,,,,,0.0,,,,,,0.0,,,,
COc1ccc(OC)c(NC(=O)C2CCCC2)c1,CID531888,,,,,,,0.0,0.0,0.0,0.0,0.0,,,,,0.0,
Cc1cccc(NC(=O)C2CCCC2)c1,CID531884,,,,,,,,,0.0,0.0,,,,,,,
CCCn1c(SCC(N)=O)nnc1C(C)C,CID654957,,0.0,,0.0,,,,,,,,,,,,,
Cc1nnc(SCC(=O)NC(=O)NC(C)(C)C)n1N,CID2603786,,,,0.0,,,,,,0.0,,,,,0.0,,
CCCCSc1nnc(CCC)n1N,CID1569642,,0.0,,,,,,,,,,,0.0,,,,
CCn1c(SCC(=O)NC)nnc1C(C)C,CID655295,,0.0,,,,,,,,,,,0.0,,,,
CCNC(=O)N(C(=O)NCC)n1c(C)nnc1C,CID660326,,0.0,,0.0,,,,,,,,,,,,,
CC(C)(C#N)Nn1cnnc1,CID650754,,0.0,,0.0,,,,,,,,0.0,,,,,
CCCn1c(SCC(=O)NC(C)(C)C)nnc1C(C)C,CID647798,,0.0,,,,,,,,,0.0,,,,,0.0,0.0
CCC(NC(=O)Nn1cnnc1)(C(F)(F)F)C(F)(F)F,CID658804,,,,,,,,,0.0,,,,,,,,
Cc1nnc(SCCOC(N)=O)n1C,CID647969,,,,0.0,,,,,0.0,,,,0.0,,,,
CC(C)C(C)(C#N)NC(=O)CSc1nnc(C(F)(F)F)n1C,CID9551871,,,,,,,,,0.0,,,,,,,,
CNC(=O)NC(=O)CSc1nnc(C(F)(F)F)n1C,CID2533071,,,,,,,,,,0.0,,,,,,,
CCNC(=O)Nn1c(C)nnc1C,CID659396,,0.0,,,,,,,,0.0,,0.0,,,0.0,,
CCC(=O)Nn1c(C)nnc1C,CID657448,,,0.0,0.0,,,,,,,,,,,,,
CCOC(=O)CSc1nnc(C)n1N,CID646397,,,0.0,,,,,,,,,0.0,,,,,0.0
CCCn1c(SCC(=O)NC)nnc1C(C)C,CID648200,,0.0,,0.0,,,,,,0.0,,,,,,,
CCCSc1nnc(C(C)C)n1N,CID1590981,,,,,,,,,,,,,,,0.0,,
Cn1cnnc1SCNC(=O)C(F)(F)F,CID2064116,,,,,,,,,0.0,,,0.0,,,,,
CC(=O)c1cccc(NC(=O)NC2CCCCC2)c1,CID781612,0.0,,,0.0,0.0,0.0,,0.0,,0.0,,0.0,,,,,0.0
COC(=O)c1ccc(Cl)c(NC(=O)NC2CCCCC2)c1,CID1332652,,,0.0,0.0,,,0.0,,,0.0,,,0.0,,,0.0,0.0
Cc1ccc(NC(=O)NC2CCCCC2)cc1Cl,CID742744,,0.0,,,,,,,,,,,,,,0.0,
CC(C)c1ccc(NC(=O)NC2CCCCC2)cc1,CID292812,0.0,,,0.0,,,,,,0.0,,,,,,0.0,
CC(C)NS(=O)(=O)c1ccc(NC(=O)NC2CCCCC2)cc1,CID1243243,,,,,,,,,,,,,,0.0,,,
O=C(Nc1cccc(F)c1)NC1CCCCC1,CID2843583,,,,0.0,,,,,,,,,0.0,,,,
CCCC(=O)Nc1cc(OC)c(NC(=O)NC2CCCCC2)cc1OC,CID644834,0.0,,,,,,,0.0,0.0,,,,,,,0.0,0.0
NC(=O)c1ccccc1NC(=O)NC1CCCCC1,CID1226614,,,,,,,,,,,0.0,,,,,,
CCCC(=O)Nc1cc(OCC)c(NC(=O)NC2CCCCC2)cc1OCC,CID654600,,,,,,,,0.0,,,,,,,,0.0,
O=C(Nc1c(F)c(F)c(F)c(F)c1F)NC1CCCCC1,CID2180784,,,,,,,,,0.0,,,,,,,,0.0
Cc1c(Cl)cccc1NC(=O)NC1CCCCC1,CID897859,0.0,,0.0,0.0,,,,,,,,,0.0,,,0.0,0.0
O=C(Nc1ccccc1)NC1CCCCC1,CID13451,,,,,,0.0,,,,0.0,0.0,0.0,,,,,
CCc1cccc(NC(=O)NC2CCCCC2)c1,CID898087,0.0,,,0.0,,,0.0,0.0,,,0.0,0.0,,,,0.0,
CC(=O)NS(=O)(=O)c1ccc(NC(=O)NC2CCCCC2)cc1,CID898953,,,,,,,,,,,,,,0.0,,,
CCc1ccccc1NC(=O)NC1CCCCC1,CID853789,,,,,,0.0,,,,,,0.0,,,,,
O=C(Nc1cccc(Cl)c1)NC1CCCCC1,CID751320,,0.0,,,,,,,,,,,0.0,,0.0,0.0,
O=C(Nc1ccc(F)c(F)c1)NC1CCCCC1,CID896465,,,,0.0,,,,,,,,,,,,,
COc1ccccc1Nc1ncnc2ccccc12,CID714435,,,,,,,,,,,,0.0,,,0.0,0.0,
COc1cc(Nc2nc(SCC#N)nc3ccccc23)cc(OC)c1OC,CID3241890,,0.0,,,,,,,0.0,,0.0,,,,,,
CCOC(=O)c1nc(Nc2ccc(C(C)=O)cc2)c2ccccc2n1,CID731991,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1nc(Nc2ccccc2)c2ccccc2n1,CID731971,,,,,,,,,0.0,,0.0,0.0,,0.0,,,
CCOC(=O)c1nc(Nc2ccc(C)cc2)c2ccccc2n1,CID731973,,,,,,,,,0.0,,,0.0,,0.0,,,
Cc1ccc2ncnc(Nc3ccc(C)c(C)c3)c2c1,CID720610,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1cccc(Nc2ncnc3ccc(C)cc23)c1,CID721013,,,,,,,,,0.0,0.0,0.0,0.0,,0.0,,,
CCOC(=O)c1ccc(Nc2ncnc3ccc(C)cc23)cc1,CID721015,,,,,,,,,0.0,,0.0,,,,,,
COC(=O)c1cccc(Nc2ncnc3ccc(C)cc23)c1,CID720617,,,,,,0.0,,,,,,,,0.0,0.0,,
COc1ccc([N+](=O)[O-])cc1Nc1ncnc2ccccc12,CID725415,,,,,,,,,,,,,,,0.0,,
COc1ccccc1Nc1ncnc2ccc(C)cc12,CID721007,,,,,,,,,,,,,,,0.0,,
CC(=O)c1cccc(Nc2ncnc3ccc(C)cc23)c1,CID721009,,,,,,0.0,,,,,,,,,,,
O=C(O)c1cccc(Nc2ncnc3ccccc23)c1,CID693081,,,,,,,0.0,,0.0,,,,,0.0,0.0,,
CCOC(=O)c1nc(Nc2cc(C)cc(C)c2)c2ccccc2n1,CID712949,,,,,,,,,,,,,,0.0,0.0,,
CCOC(=O)c1nc(Nc2ccc(C(=O)OC)cc2)c2ccccc2n1,CID1192536,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1ccc(Nc2nc(C(=O)OCC)nc3ccccc23)cc1,CID1192535,,,,,,0.0,,,0.0,,,,,,,,
Oc1cccc(Nc2ncnc3ccccc23)c1,CID693194,,0.0,,0.0,,,0.0,0.0,,0.0,,,,0.0,,,
CCCN1C(=O)c2ccccc2NC1c1ccccc1F,CID5348782,,,,,,0.0,,,,,,,,,,,
CCCN1C(=O)c2ccccc2NC1c1ccc(OC)cc1OC,CID649192,,,,,0.0,0.0,,0.0,,,0.0,,,,,,
CCCN1C(=O)c2ccccc2NC1c1ccc(OC)cc1O,CID3245946,0.0,,,,,,,,,,,,0.0,,,,0.0
CCN(CC)CCN1C(=O)c2ccccc2NC1c1cccc(F)c1,CID2888082,,0.0,,0.0,,,,,,,,,0.0,,,,
CN1c2ccccc2C(=O)NC1c1ccc(Cl)cc1,CID3322324,,,,,,,,,,,,,,0.0,,,
O=C1c2ccccc2NC(c2ccc(Cl)cc2Cl)N1O,CID3244122,0.0,,,,,,,,,,,,,,,,0.0
COc1cccc(C2Nc3ccccc3C(=O)N2O)c1O,CID3245937,0.0,,0.0,,0.0,,,,,,,,0.0,,,,
COc1ccc(C2NC(=O)c3ccccc3N2)cc1OC,CID484122,,,,,,0.0,,,,0.0,,0.0,,,,,
CCCN1C(=O)c2ccccc2NC1c1ccc(Cl)cc1,CID2887937,,,,,,0.0,,,,,,,,,,,
C=CCc1cccc(C2Nc3ccccc3C(=O)N2O)c1O,CID2872630,0.0,,,,,0.0,,,,,,,,,,,0.0
CCN(CC)CCN1C(=O)c2ccccc2NC1c1cc(OC)c(OC)c(OC)c1,CID659135,,,,0.0,,,0.0,,,,,,,,,,0.0
CCCN1C(=O)c2ccccc2NC1c1cc(OC)c(OC)c(OC)c1,CID2888615,,,,,,,,,,,,0.0,,,,,
COc1ccc(C2Nc3ccccc3C(=O)N2O)cc1OC,CID3236213,0.0,,,,,0.0,0.0,,0.0,,,,,,,,0.0
CCCN1C(=O)c2ccccc2NC1c1ccc(C)cc1,CID2888214,,,,,,0.0,,,,,,,,,,,
CCN(CC)CCN1C(=O)c2ccccc2NC1c1ccc(F)cc1,CID3325080,,,,,,0.0,,,,,,,,0.0,,,
O=C1NC(c2ccccc2Cl)Nc2ccccc21,CID300570,0.0,0.0,,0.0,,,,,,,,,,,,0.0,0.0
CSc1ccc(C2NC(=O)c3ccccc3N2)cc1,CID2867455,,,,,,0.0,,,,,,,,,,,
Cc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2N)cc1C,CID662510,,0.0,0.0,,,,,,,0.0,,,,,,,
Cc1cccc(NC(=O)CSc2nnc(-c3ccncc3)n2C)c1,CID648637,0.0,0.0,,,0.0,0.0,0.0,,,0.0,0.0,,0.0,,,0.0,
COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2C)cc1,CID646407,,0.0,,,,,,,,,0.0,,0.0,,,0.0,
COCCCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccncc1,CID3170487,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2C)cc1C,CID646226,0.0,,0.0,0.0,0.0,,0.0,,,,0.0,,,,,,
C=CCn1c(SCC(=O)Nc2ccccc2CC)nnc1-c1ccncc1,CID663280,0.0,,0.0,,0.0,,0.0,0.0,,,0.0,,,,,,0.0
CCn1c(SCC(=O)Nc2cc(NC(C)=O)ccc2OC)nnc1-c1ccncc1,CID1264905,,0.0,,0.0,,,,0.0,,,0.0,0.0,,,0.0,0.0,
COCCCn1c(SCC(=O)Nc2cccc(C(=O)OC)c2)nnc1-c1ccncc1,CID653476,,,0.0,,,,,0.0,0.0,0.0,,,0.0,,,0.0,0.0
CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2C)cc1,CID1150542,0.0,,0.0,,,,,,,,,0.0,0.0,,,,
CCOC(=O)CN(C(=O)CSc1nnc(-c2ccncc2)n1CCCN(C)C)c1ccccc1,CID647868,,,,0.0,,,,,,,0.0,,,,,,
COc1ccc(NC(C)=O)cc1NC(=O)CSc1nnc(-c2ccncc2)n1C,CID662934,,,,,,,,,,,0.0,,,,,0.0,
Cc1cc(NC(=O)CSc2nnc(-c3ccncc3)n2N)ccc1Br,CID2086928,0.0,,,,,,,,,,,,,,,,0.0
C=CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccncc1,CID652340,,,,,0.0,,0.0,,,,0.0,,,,,0.0,
Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccncc3)n2N)c1,CID662433,,,0.0,,,0.0,,,,,0.0,,0.0,,0.0,0.0,
COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2N)cc1,CID662998,,0.0,0.0,,,,,,,,,,,,,,
CCOC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccncc3)n2CCCOC)c1,CID647075,,,0.0,,,,,,0.0,,,,0.0,,,0.0,0.0
C=CCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1ccncc1,CID647691,,0.0,,,0.0,,,,,,,,,,,0.0,0.0
CCOC(=O)c1nnn(CC(=O)Nc2ccc(C)cc2)c1C(=O)OCC,CID3244441,,,,,,,0.0,,,,,,,,,,
COC(=O)c1nnn(CC(=O)Nc2ccc(C)c(F)c2)c1C(=O)OC,CID3237081,,,,,,,0.0,,,,,,,,,,
CCOC(=O)c1cn(CC(=O)Nc2ccccc2C(=O)OCC)nn1,CID3239545,,,,,,,,0.0,,,,,,,,,
CCOC(=O)c1cn(CC(=O)Nc2cc(Cl)ccc2OC)nn1,CID3236636,0.0,,0.0,,,,0.0,,,,,,,,,,
CCOC(=O)c1nnn(CC(=O)Nc2cccc(F)c2)c1C(=O)OCC,CID3236388,,,,,,,,,,,,,,,,,0.0
CCOC(=O)c1nnn(CC(=O)Nc2ccc(C)c(F)c2)c1C(=O)OCC,CID3242111,,0.0,,,,,,,,,,0.0,,,,,
COC(=O)c1nnn(CC(=O)Nc2cccc(OC)c2)c1C(=O)OC,CID3240279,,,,,,,,,,,,,0.0,,,,
CCOC(=O)c1cn(CC(=O)Nc2ccc(CC)cc2)nn1,CID3237719,,,,,,,,,,,,0.0,,,,,0.0
COC(=O)c1nnn(CC(=O)Nc2cccc(Cl)c2C)c1C(=O)OC,CID3239670,,,0.0,,,,,,,,,0.0,,,,,
CCOC(=O)c1nnn(CC(=O)Nc2cccc(Cl)c2C)c1C(=O)OCC,CID3236700,,,0.0,,,,,,,,,,0.0,,,,
CCOC(=O)c1nnn(CC(=O)Nc2cc(Cl)ccc2C)c1C(=O)OCC,CID3245734,,,,,,,,,,,,0.0,0.0,,,,
CCOC(=O)c1cn(CC(=O)Nc2ccc(C(C)C)cc2)nn1,CID3238495,,0.0,,,,,,,,,,,,,,,
CCOC(=O)c1nnn(CC(=O)Nc2ccccc2OC)c1C(=O)OCC,CID3241431,,,,,,,,0.0,,,,,,,,,
COC(=O)c1nnn(CC(=O)Nc2cccc(Cl)c2)c1C(=O)OC,CID3241360,,,,,,,,,,,,,,,,0.0,
CCOC(=O)c1nnn(CC(=O)Nc2cccc(OC)c2)c1C(=O)OCC,CID3243411,,,,,,,,0.0,,,0.0,,,,,,
CCOC(=O)c1nnn(C(CC)C(=O)Nc2cc(C)ccc2OC)c1C(=O)OCC,CID3237148,,,,,,,,,,,,,,,,0.0,
CCOC(=O)c1cn(CC(=O)Nc2ccc(C)cc2)nn1,CID3245114,,,0.0,,,,,0.0,,,,,,0.0,,0.0,
CCC(=O)NCCNC(=O)c1c(SC)nsc1SC,CID3241056,,,,,0.0,,0.0,,0.0,,,,,,,,
COC(=O)CSc1nsc(SCC(=O)OC)c1C#N,CID1824906,,,,,0.0,,,,0.0,,,,,,,,
CC(=O)CSc1nsc(SCC(C)=O)c1C#N,CID698750,,,,,,,,,0.0,,,,,,,,
CSc1snc(SCC(N)=O)c1C#N,CID212320,,,,,0.0,,,,0.0,,,,,,,,
CCCSc1nsc(SCCC)c1C(N)=O,CID647793,,,,,0.0,,0.0,,,0.0,,,,,,,
C#CCSc1nsc(SCC#C)c1C#N,CID2803060,,,,,0.0,,0.0,,,,,,,,0.0,,
COCCNC(=O)C(C)OC(=O)c1nsc(Cl)c1Cl,CID646892,,,,,,,,,,,,0.0,,,,,
CCSc1nsc(SCC)c1C(N)=O,CID684868,,,0.0,,0.0,,,,,,,,,,,,
CCN(CC)C(=O)CSc1nsc(SCC(=O)N(CC)CC)c1C#N,CID2886664,,,,,0.0,,,,,,,,,,,,
C=COC(=O)CSc1snc(SCC(=O)OC)c1C#N,CID3238412,,,0.0,,0.0,,,,0.0,,,,,,,,
CSc1nsc(SC)c1C(=O)OCC(F)(F)F,CID1238358,,,,,0.0,,,,0.0,,,,,,,,
CCCSc1nsc(SCCC)c1C#N,CID612236,,,,,,,,,,,,,,,0.0,,
CC(C)(C)NC(=O)CSc1nsc(SCC(=O)NC(C)(C)C)c1C#N,CID658075,,,,,0.0,,,,0.0,0.0,,,,,,,
CC(C)C(OC(=O)c1nsc(Cl)c1Cl)C(=O)NC(C)(C)C,CID3220368,,,,,,,,,,,,,,0.0,,,
CC(OC(=O)c1nsc(Cl)c1Cl)C(=O)NC(C)(C)C,CID3219070,,,,,,,,,,,,,,,0.0,,
CC(C)Oc1snc(Cl)c1C(N)=O,CID654164,,,,,,,,,,,,,,,,,0.0
CCOC(=O)CSc1nsc(SCC(=O)OCC)c1C#N,CID1824907,,,,,,,,,0.0,,,,,,,,
CC(=O)Nc1ccc(OC(=O)c2cccnc2)cc1,CID3237989,,,0.0,,,,,,,,,,0.0,,,,
CCOc1ccc(OC(=O)c2cccnc2)cc1,CID3240037,,,,0.0,,0.0,,0.0,0.0,0.0,,,0.0,,0.0,,
CCCCOc1ccc(OC(=O)c2cccnc2)cc1,CID3239309,,,,0.0,,,,0.0,,,,,,,,,
COC(=O)c1cc(Br)ccc1OC(=O)c1cccnc1,CID3237257,0.0,,,,,,0.0,,0.0,,,,,,,,0.0
CCCCCCOc1ccc(OC(=O)c2cccnc2)cc1,CID4254794,,,,,,,,,,0.0,,0.0,,,,,
CC(C)(C)c1ccc(OC(=O)c2cccnc2)cc1,CID765763,,,,,,,,,0.0,,0.0,,,0.0,,,
O=C(Oc1cccc(Br)c1)c1cccnc1,CID3238017,0.0,,,,,,,,0.0,,0.0,,,,,,0.0
O=C(Oc1ccccc1[N+](=O)[O-])c1cccnc1,CID693383,,,,,,0.0,,,,,,,,,,,
CCCCOC(=O)c1ccc(OC(=O)c2cccnc2)cc1,CID3239439,,,,,,,,,0.0,,,,,,,0.0,
O=C(Oc1ccc([N+](=O)[O-])cc1)c1cncc(Br)c1,CID3305329,,,,,,,,,,,,,,,0.0,,
CC(=O)c1cc(C)ccc1OC(=O)c1cccnc1,CID733521,,0.0,,,,,,,0.0,,,,,,0.0,,
COC(=O)c1ccccc1OC(=O)c1cccnc1,CID571558,,,,,,,,,0.0,0.0,,,,,0.0,,
COC(=O)c1ccc(OC(=O)c2cccnc2)cc1,CID797304,,,,,,,,,,,,,,0.0,,,
CC(=O)CCc1ccc(OC(=O)c2cccnc2)cc1,CID881181,,,0.0,,,,,,,,,,0.0,,,,
Cc1ccc(C)c(OC(=O)c2cncc(Br)c2)c1,CID837053,,,,,,,,,,,,,,,0.0,,
COc1ccc(OC(=O)c2cccnc2)cc1,CID532682,,,,,,0.0,,,0.0,0.0,,,,0.0,0.0,,
CC(C)OC(=O)c1ccc(OC(=O)c2cccnc2)cc1,CID881081,,,0.0,,,,0.0,0.0,0.0,,,,0.0,0.0,,,0.0
CCCCN1C(=O)C(NC(C)=O)c2ccccc21,CID2954226,,,,,,,,0.0,,,,,,,,0.0,
CCc1ccc2c(c1)C(NC(C)=O)C(=O)N2CC,CID2952147,,,0.0,0.0,,,,,,,,,0.0,,,0.0,
CC(=O)NC1C(=O)Nc2c(C)cc(C)cc21,CID2952472,,,,,,0.0,,,,0.0,,0.0,,,,,
CCCN1C(=O)C(NC(C)=O)c2cc(OC)ccc21,CID665380,,,,0.0,,,,,,,,,,,,0.0,
CCN1C(=O)C(NC(C)=O)c2cc(Br)ccc21,CID665145,0.0,,,,,,,,,,,,,,,0.0,0.0
CCN1C(=O)C(NC(C)=O)c2cc(OC)ccc21,CID665358,,,,0.0,,0.0,,,,,,,,,0.0,0.0,
CC(=O)NC1C(=O)N(CC(C)C)c2ccccc21,CID2956948,,,,,,,,,,0.0,,,,,,,
CC(=O)NC1C(=O)N(C)c2ccc(Br)cc21,CID2966801,,,,,,,,,0.0,,,0.0,,,,,
COc1ccc2c(c1)C(NC(C)=O)C(=O)N2C,CID665311,,,,,,,,,,0.0,0.0,,,,,0.0,
CCCN1C(=O)C(O)(C/C(C)=N/O)c2ccccc21,CID650006,,,,,,,,,,,,,,0.0,0.0,,
CC(=O)NC1C(=O)Nc2c1cccc2C(F)(F)F,CID2966431,,,,,,,,,,,,,,,,,0.0
C=CCC1(O)C(=O)Nc2ccccc21,CID646528,,,,0.0,,,0.0,,,,,,,,,,
COC(=O)N(C)CCCC1(C)C(=O)N(C)c2ccc(O)cc21,CID3102997,,,0.0,,,,0.0,0.0,,,,,,,,0.0,
CCCCC(CC)CNC(=O)C(=O)C1C(=O)Nc2ccccc21,CID4050346,,,,,,,,,,,,,,0.0,,,
COC(=O)CS(=O)(=O)c1ccc2c(c1)CC(=O)N2,CID3243665,,,,0.0,,,,,0.0,,,,,,,,
CCCCN1C(=O)C(NC(C)=O)c2cc(Br)ccc21,CID665257,,,,,,,,,0.0,,,0.0,,,0.0,0.0,0.0
C/C(CC1(O)C(=O)N(C)c2ccccc21)=N\O,CID40132,,,0.0,0.0,,0.0,0.0,,,0.0,,,,,,,
CCOC(=O)Cn1cnc2sc3c(c2c1=O)CCC3,CID801055,,,,0.0,,,,0.0,,,,,,,,,
CCn1c(SC(C)C(=O)O)nc2sc3c(c2c1=O)CCC3,CID658014,,0.0,0.0,,0.0,,0.0,,,,,,,0.0,,,
CCOC(=O)CCCSc1nc2sc3c(c2c(=O)[nH]1)CCC3,CID1580733,,,,,,,,,,0.0,,,,,,,
CCc1nc2sc3c(c2c(=O)n1N)CCC3,CID645444,,,,0.0,,,0.0,,,,,,0.0,,,,
CCOC(=O)C(C)n1cnc2sc3c(c2c1=O)CCC3,CID2791261,,,,0.0,,,0.0,,,,,,,,,,
C=CCn1c(NCCO)nc2sc3c(c2c1=O)CCC3,CID1901278,,,,0.0,,,,,,,,,,,,,
O=C(CCCSc1nc2sc3c(c2c(=O)[nH]1)CCC3)NCCO,CID1596204,,,,0.0,,,,,,0.0,,,,0.0,,,
CCN(CC(=O)NC(C)C)Cc1nc2sc3c(c2c(=O)[nH]1)CCC3,CID2460445,,,,,,,,,,0.0,,,,,,,
CCCCSc1nc2sc3c(c2c(=O)[nH]1)CCC3,CID1934698,,,,,,,,,,,0.0,,,,,,
Cc1nc2sc3c(c2c(=O)[nH]1)CCC3,CID2807595,,0.0,,0.0,0.0,0.0,,,,,,,0.0,,,,
O=C(CCCSc1nc2sc3c(c2c(=O)[nH]1)CCC3)NCCCO,CID1606660,,,,,,,,,,,,,0.0,,,,
CCCc1nc2sc3c(c2c(=O)n1N)CCC3,CID804823,,,,,,,,,,,,,0.0,,,,
CCOC(=O)C(CC)n1cnc2sc3c(c2c1=O)CCC3,CID646360,,,,0.0,,0.0,0.0,0.0,,,,,,,,0.0,
CCCCCc1nc2sc3c(c2c(=O)n1N)CCC3,CID659946,,,0.0,0.0,,,0.0,,,,,,,,,,0.0
CCn1c(SCC(=O)OC)nc2sc3c(c2c1=O)CCC3,CID867980,,,,,,0.0,,,,,,,0.0,0.0,,,
CCCCc1nc2sc3c(c2c(=O)[nH]1)CCC3,CID657874,,,,0.0,0.0,,0.0,,,,,,,,0.0,,
CCn1c(SCC(=O)O)nc2sc3c(c2c1=O)CCC3,CID658077,,,,,0.0,,,,,,,0.0,,0.0,0.0,,
O=C(O)c1ccc(Cl)c(S(=O)(=O)NCc2cccnc2)c1,CID2411456,,,,,,,,,,,,,,,0.0,,
CCN(CC)C(=O)c1ccc(S(=O)(=O)NCc2cccnc2)cc1,CID3228865,,,,,,,,,0.0,,,,,,,,
COc1cc(C)c(Cl)c(C)c1S(=O)(=O)NCc1cccnc1,CID976971,,,,,,,,,,0.0,,,,,0.0,,
COc1ccc(Cl)cc1S(=O)(=O)NCc1cccnc1,CID2897540,,,,,,,,,,0.0,,,,,,,
Cc1cc(Cl)c(S(=O)(=O)NCc2cccnc2)cc1OCC(N)=O,CID992281,,,,0.0,0.0,,,,,,,,0.0,,,0.0,
COC(=O)COc1ccc(S(=O)(=O)NCc2cccnc2)cc1,CID894362,,,,,,,,0.0,,,,,0.0,,,0.0,
COc1cc(S(=O)(=O)NCc2cccnc2)c(OC)cc1Br,CID1167283,,,,,,,,,0.0,,,,,,,,
Cc1ccc(C)c(S(=O)(=O)NCc2cccnc2)c1,CID776867,,,,,,,0.0,0.0,,,,0.0,,,,0.0,0.0
Cc1cc(C)c(C)c(S(=O)(=O)NCc2cccnc2)c1C,CID891796,0.0,,,,,,,0.0,,,,,0.0,,,,
CCOC(=O)COc1ccc(S(=O)(=O)NCc2cccnc2)cc1,CID1082995,,0.0,,0.0,,,,0.0,0.0,,,,,,,0.0,
COc1ccc(OC)c(S(=O)(=O)NCc2cccnc2)c1,CID794488,,,0.0,,,,0.0,,,,0.0,,,,,,
COc1cc(S(=O)(=O)NCc2cccnc2)ccc1F,CID700173,,,,,,,,,0.0,0.0,,0.0,,,,,
CCOc1ccc(OCC)c(S(=O)(=O)NCc2cccnc2)c1,CID686055,,,,,,,,,,,,0.0,,,,0.0,
COC(=O)COc1ccc(S(=O)(=O)NCc2cccnc2)cc1C,CID1092876,,,,,,,,,0.0,,,,0.0,,,,
O=S(=O)(NCc1cccnc1)c1ccccc1,CID668758,,,,,,,,,,0.0,,,,,,,
CCOc1ccc(Cl)cc1S(=O)(=O)NCc1cccnc1,CID850036,,,,,,0.0,,,,0.0,0.0,,,0.0,,,
Cc1ccc(C(C)C)cc1S(=O)(=O)NCc1cccnc1,CID892343,0.0,,0.0,0.0,,,0.0,,,,0.0,0.0,0.0,,,,0.0
CCOc1ccc(NC(=O)CNC(=O)c2ccc(OC)c(OC)c2)cc1,CID1265151,0.0,,0.0,0.0,,,,,,,,,0.0,,,,
COc1ccccc1NC(=O)CNC(=O)c1ccccc1,CID1262346,0.0,0.0,0.0,0.0,,,0.0,,,,0.0,,,,,,0.0
Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1,CID2672641,,,,,,,,,,,,,,,0.0,,
COc1ccccc1C(=O)NCC(=O)Nc1ccccc1,CID2232324,0.0,0.0,,,,,0.0,0.0,,0.0,,,,,,,
Cc1ccccc1C(=O)NCC(=O)Nc1ccccc1C(F)(F)F,CID2236832,,,,,,,,,,,,,,0.0,,,
COc1ccc(OC)c(NC(=O)CNC(=O)c2ccc([N+](=O)[O-])cc2)c1,CID2237484,,,,,,,,,,,,,,,0.0,,
Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1,CID2672709,,,,,,,,,,,,,,,0.0,,
COc1ccc(NC(=O)C(NC(=O)c2ccccc2)C(C)C)cc1,CID2957568,,,,,,,,,,,,0.0,,,,,
COc1ccc(C(=O)NCC(=O)Nc2ccccc2)cc1OC,CID2232874,0.0,,,0.0,,,0.0,0.0,0.0,,,0.0,,,,0.0,0.0
CCOc1ccc(NC(=O)C(NC(=O)c2ccccc2)C(C)CC)cc1,CID2467616,,,,,,,,,,,,0.0,,,0.0,,
Cc1ccccc1C(=O)NC(C(=O)Nc1ccc(Cl)c(Cl)c1)C(C)C,CID7809342,,,,,,,,,,,,,,,0.0,,
COc1cccc(NC(=O)CNC(=O)c2ccc(F)cc2)c1,CID2235676,,,0.0,0.0,,,,,,,,,,,,,
COc1ccc(C(=O)NCC(=O)Nc2ccc(F)cc2)cc1OC,CID1243273,,,,,,0.0,,,0.0,0.0,0.0,,,,,,
CCOc1ccc(NC(=O)C(CC)NC(=O)c2ccccc2CO)cc1,CID3243266,,0.0,,,,,0.0,,0.0,,,,,,,,
CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1ccc([N+](=O)[O-])cc1,CID2569758,,,,,,,,,,,,,,,0.0,,
COc1cccc(NC(=O)CNC(=O)c2ccccc2)c1,CID1255928,0.0,,,,,,,,,0.0,,0.0,0.0,,,,
COc1ccccc1NC(=O)CNC(=O)c1ccccc1C,CID2224585,,,,,,0.0,,,0.0,,,0.0,,,,,
CCOCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1,CID662657,,,,,,0.0,,,0.0,,0.0,,,,,,
COC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCc1ccccc1,CID653315,,0.0,0.0,,,,,0.0,0.0,,0.0,,,0.0,,,
COC(=O)C(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1,CID645499,,0.0,,0.0,,,,,0.0,,0.0,,,,,,0.0
CCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1,CID650619,,,,0.0,,,,0.0,,0.0,,,,,,,
CC(O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCc1ccccc1,CID3153001,,,,,,,,,,,,,,,,,0.0
CCOC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCc1ccccc1,CID655090,,0.0,,,,,0.0,0.0,,,0.0,,0.0,,,,0.0
CC(C)CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1,CID981121,0.0,,,,,,,,,0.0,0.0,,,,,,0.0
Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2CCCc1ccccc1,CID1119323,,,,,,,,,0.0,,,0.0,,,,,
CCOCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1,CID646650,,0.0,,,,,,0.0,,,,,,,,,
Cn1c(=O)[nH]c(=O)c2c1ncn2CCCc1ccccc1,CID652829,,0.0,,,,,,,0.0,,,0.0,0.0,0.0,,,
Cn1c(=O)[nH]c(=O)c2c1nc(NCCCO)n2CCCc1ccccc1,CID650002,,,,0.0,,,,,,,,,,,,,
Cn1c(=O)c2c(nc(Br)n2CCCc2ccccc2)n(C)c1=O,CID659421,0.0,,,,,,,,0.0,,0.0,0.0,,,,0.0,0.0
CN(C)CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1,CID1420755,,0.0,,0.0,,,,0.0,,,,,0.0,,,,
CCOCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCc1ccccc1,CID654241,0.0,,,,,,,0.0,,,,0.0,0.0,,,,
CCOC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1,CID658100,,,,0.0,,,0.0,0.0,0.0,,0.0,,,,,0.0,
COCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1,CID645373,,0.0,,0.0,,,0.0,0.0,0.0,,,,,,0.0,,
Cn1c(=O)c2c(ncn2CCCc2ccccc2)n(C)c1=O,CID655558,,,0.0,0.0,,0.0,,0.0,,,,,0.0,,,,
CCOc1cc(C=O)ccc1OCCCN1C(=O)NC(C)(C)C1=O,CID2216501,,,,,,,,,0.0,,0.0,,,,0.0,,
CCCCCCOc1ccc(OCC(O)CN2C(=O)NC(C)(C)C2=O)cc1,CID653586,,,,,,,,0.0,0.0,,,,,,,,
CC1(C)NC(=O)N(CCCOc2ccc(Br)cc2Cl)C1=O,CID2216133,0.0,,,,,,,,,,,,,,,,0.0
Cc1ccc(OCC(O)CN2C(=O)NC(C)(C)C2=O)cc1C,CID3151245,,,0.0,,,,,0.0,,,,,,,,,0.0
Cc1ccc(OCC(O)CN2C(=O)NC(C)(C)C2=O)cc1,CID3133090,,,,,,,,,,0.0,,,,0.0,,,
CCC(=O)c1ccccc1OCCCN1C(=O)NC(C)(C)C1=O,CID2215913,,,,,,,0.0,0.0,0.0,,,0.0,0.0,,,,
Cc1cc(C)cc(OCC(O)CN2C(=O)NC(C)(C)C2=O)c1,CID3151243,0.0,,0.0,,,,0.0,,,,,,,,,,
COc1ccccc1OCC(O)CN1C(=O)NC(C)(C)C1=O,CID3151247,,0.0,0.0,0.0,0.0,,,,,,,,,,,,0.0
CCC(=O)c1ccc(OCC(O)CN2C(=O)NC(C)(C)C2=O)cc1,CID3151250,,,,,,,0.0,,,,,,0.0,,,,
CC(C)c1cc(Br)ccc1OCCCN1C(=O)NC(C)(C)C1=O,CID2216203,,,,,,,,,,,0.0,0.0,,,,,
CCc1cccc(OCCCN2C(=O)NC(C)(C)C2=O)c1,CID2216201,,,,,,,,,,,0.0,0.0,,,,,
COC(=O)c1ccc(OCC(O)CN2C(=O)NC(C)(C)C2=O)cc1,CID2866433,,,0.0,0.0,0.0,,,,,,0.0,,,,,,
C/C=C/c1ccc(OCCCN2C(=O)NC(C)(C)C2=O)c(OC)c1,CID2216263,,,,0.0,,,0.0,0.0,0.0,,,,0.0,,,,0.0
Cc1ccc(C(C)C)c(OCCCN2C(=O)NC(C)(C)C2=O)c1,CID2200000,,,,,,0.0,,,0.0,,,,,,,,
CC1(C)NC(=O)N(CCCOc2ccccc2Br)C1=O,CID2215909,,,,,,,,,0.0,,0.0,,,,,,
CCCOC(=O)c1ccc(OCC(O)CN2C(=O)NC(C)(C)C2=O)cc1,CID2909751,,,0.0,,,,0.0,0.0,,,,,,,,,
COc1ccc(OCC(O)CN2C(=O)NC(C)(C)C2=O)cc1,CID658819,,,,,0.0,,,,,,,,,,,,
CCCCCCNc1cc(C)oc(=O)c1C(C)=O,CID2180657,,,,,,,,,,,,,,,0.0,,
Cc1cc(=O)oc(C)c1C(=O)O,CID95775,,,0.0,,,,,,,,,,,,,,
CCC(C)NC(=O)c1c(C)cc(=O)oc1C,CID3237083,,,,,,,,,,0.0,,,,,,0.0,
CCc1cc(C=C(Cl)Cl)oc(=O)c1C,CID717447,,,,,,,0.0,,,,,,,,,,
CCCNc1cc(C)oc(=O)c1C(=O)CCC,CID2173356,,,,,,,,,,0.0,,,,,,,
CCCC(=O)c1c(NC(C)C)cc(C)oc1=O,CID763655,,,,0.0,,0.0,,0.0,,,,,0.0,,,,
CCCNC(=O)c1c(C)cc(=O)oc1C,CID3242027,,0.0,,,,,,,,,,,,,,,
Cc1cc(=O)oc(C)c1C(=O)NCC(C)C,CID659075,,,,,,,,0.0,,,,,,,,,
CCOC(=O)c1c(C)cc(=O)oc1C,CID76918,,,,,,,,,,0.0,,,,,,,
CCCCNC(=O)c1c(C)cc(=O)oc1C,CID3239887,,,0.0,,,,,,,,,,,,,0.0,
CN(C)CCNC(=O)c1coc(=O)c(Br)c1,CID660989,0.0,,,,,,,,,,,,,,0.0,0.0,0.0
CCCCNc1cc(C)oc(=O)c1C(C)=O,CID2173474,,,,0.0,,,,,,,,,0.0,,,0.0,
C=CCNc1cc(C)oc(=O)c1C(=O)CCC,CID2056061,,,,,,0.0,,,,0.0,,,,,,,
Cc1cc(=O)oc(C)c1C(=O)NCCC(C)C,CID3241435,,,,,,,,,,,,,0.0,,,0.0,
CCCC(=O)c1c(NC)cc(C)oc1=O,CID786094,,,,,,,,,,,,0.0,0.0,,,0.0,
COC(=O)CNC(=O)c1ccc(=O)oc1,CID665652,,,,0.0,,,,0.0,,,,,,,,,
COC(=O)CNC(=O)c1c(C)cc(=O)oc1C,CID659044,,,,,,,,0.0,,,,,0.0,,,0.0,
CCOc1ccc(S(=O)(=O)Nc2cccnc2)cc1,CID729504,,,,,,,,0.0,,0.0,,,,,,,0.0
COc1cc(S(=O)(=O)Nc2cccnc2)ccc1F,CID934908,,,,,,,,0.0,,,,,0.0,,,,
O=S(=O)(Nc1cccnc1)c1cccc(C(F)(F)F)c1,CID697901,,,,,0.0,,0.0,,,,,,,,,,
CC(C)(C)c1ccc(S(=O)(=O)Nc2cccnc2)cc1,CID836556,,,,,,,,,0.0,,,,,,,,
CCCCOc1ccc(S(=O)(=O)Nc2cccnc2)cc1,CID3239781,,,,,,,,,,,,,,,,,0.0
Cc1cc(C)c(S(=O)(=O)Nc2cccnc2)c(C)c1,CID645120,,,,0.0,,,,,,,,,,,,,0.0
COc1ccc(OC)c(S(=O)(=O)Nc2cccnc2)c1,CID893397,,,,,,0.0,,,0.0,,,0.0,,0.0,,,
COC(=O)c1ccccc1S(=O)(=O)Nc1ccc(OC)nc1,CID2091319,,,,,0.0,,,0.0,0.0,0.0,,0.0,,,,0.0,0.0
Cc1ccccc1S(=O)(=O)Nc1cccnc1,CID849224,,,,,,,,,,,0.0,0.0,,,,,
COc1ccc(C)cc1S(=O)(=O)Nc1cccnc1,CID645853,,,,,,0.0,,,,,,,,,,,
O=S(=O)(Nc1cccnc1)c1ccc(Cl)cc1,CID835318,,,,,,,,,,0.0,0.0,,,,,,
CC(=O)NCCc1ccc(S(=O)(=O)Nc2cccnc2)cc1,CID269224,,0.0,,0.0,,,,0.0,0.0,,,,,,,,0.0
O=S(=O)(Nc1cccnc1)c1ccc(Cl)c(C(F)(F)F)c1,CID889815,,,,,,,0.0,,,,,,,,,,0.0
CCC(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1,CID894019,,,0.0,,,,,,0.0,,,0.0,,,,0.0,
Cc1ccc(S(=O)(=O)Nc2cccnc2)cc1,CID757406,,,,,,,,,,,0.0,0.0,,,,,
O=S(=O)(Nc1cccnc1)c1cccc(Cl)c1,CID890243,,,,,,,,,,0.0,,,,,,,
CCOc1ccc(C)cc1S(=O)(=O)Nc1cccnc1,CID934901,,,,0.0,,,,0.0,0.0,,,,,,,,
COc1ccc(C(O)c2nc3ccccc3n2C)cc1OC,CID3113706,,,,,0.0,,0.0,,,,,,0.0,,,,0.0
CCC(=O)NC(c1ccccc1)c1nc2ccccc2[nH]1,CID3237864,,,,,,,,,,,,,,,,0.0,
CCn1c(C(O)c2ccc(C)cc2)nc2ccccc21,CID3131363,,,,,0.0,0.0,,,,,,,,,,,
COc1cccc(C(O)c2nc3ccccc3n2C(C)C)c1,CID3131365,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C(O)c2nc3ccccc3n2C(C)C)cc1,CID2881565,0.0,,,,0.0,,,0.0,,,,,,,,,
Oc1ccc2nc(Cc3ccccc3)[nH]c2c1,CID658499,,,,0.0,,,0.0,,,0.0,,,,0.0,,0.0,
CC(=O)NC(c1ccccc1)c1nc2ccccc2[nH]1,CID2976146,,,,0.0,,,,,,,,,,,,0.0,
CCCn1c(C(O)c2cc(OC)ccc2OC)nc2ccccc21,CID2881315,0.0,,,0.0,0.0,,0.0,0.0,0.0,,,0.0,0.0,,,,0.0
CCCn1c(C(O)c2ccc(OCC)cc2)nc2ccccc21,CID628205,0.0,,,,0.0,0.0,,,,,,0.0,,,,,0.0
CC(C)n1c(C(O)c2ccccc2)nc2ccccc21,CID2851813,0.0,,,0.0,0.0,,,0.0,,,,,,,,,
COCC(N)(c1ccccc1)c1nc2ccccc2n1C,CID667123,,,0.0,,,0.0,,0.0,,,0.0,,,,,0.0,
CCn1c(C(O)c2ccccc2)nc2ccccc21,CID2850705,,0.0,,,0.0,,,,,0.0,,,,,,,
COc1ccc(OC)c(C(O)c2nc3ccccc3n2C(C)C)c1,CID626410,0.0,,,,0.0,,,0.0,0.0,,,0.0,,,,,0.0
CCn1c(C(O)c2cccc(OC)c2OC)nc2ccccc21,CID2858730,,0.0,,,0.0,,,,,,0.0,,,,,,0.0
COc1ccc(Cc2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc1OC,CID2997845,,,,,0.0,,0.0,0.0,0.0,,,0.0,0.0,,,,
CCCn1c(C(O)c2ccc(OC)cc2)nc2ccccc21,CID626543,,,,,,,,,,0.0,,0.0,,,,,
COc1cc(C(O)c2nc3ccccc3n2C)cc(OC)c1OC,CID3131359,,,,,0.0,,0.0,0.0,,,,0.0,0.0,,,0.0,
COc1ccc(N(CC(=O)Nc2cccc(C)c2C)S(=O)(=O)c2c(C)n[nH]c2C)cc1,CID3240711,,,,0.0,0.0,,,0.0,,,0.0,,,,,,
COc1cccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2c(C)nn(C)c2C)c1,CID3239480,,,,0.0,0.0,,,,,,,,,,,,0.0
COc1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2c(C)n[nH]c2C)cc1,CID5309345,,,0.0,,,,,0.0,,,,,0.0,,,0.0,
COc1ccc(N(CC(=O)Nc2cc(C)ccc2C)S(=O)(=O)c2c(C)nn(C)c2C)cc1,CID5308621,0.0,0.0,0.0,,,,,,,,,,,,,0.0,
COc1cc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2c(C)n[nH]c2C)cc(OC)c1,CID3241272,,,,,0.0,0.0,,,,,,,0.0,,,,0.0
CCOc1ccccc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1c(C)n[nH]c1C,CID3245194,,,,0.0,0.0,,,,,,,,,,,,
COc1ccc(N(CC(=O)Nc2ccc(C)c(C)c2)S(=O)(=O)c2c(C)n[nH]c2C)cc1,CID3243697,0.0,,0.0,,0.0,,,0.0,,,,,0.0,,,,
COC(=O)c1ccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2c(C)n[nH]c2C)cc1,CID3245789,,,,,0.0,,,,,,,,0.0,,,,
CCOC(=O)c1cccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2c(C)n[nH]c2C)c1,CID3236893,,,,0.0,0.0,0.0,,,0.0,,0.0,,,,,,
CCOC(=O)c1ccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2c(C)n[nH]c2C)cc1,CID3237575,,,,,0.0,,0.0,0.0,0.0,,,,0.0,,,,
COc1ccccc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1c(C)n[nH]c1C,CID3235667,,,,,0.0,,,0.0,,,,,,,,,0.0
COc1cc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2c(C)nn(C)c2C)cc(OC)c1,CID3236927,,,,,0.0,,,,,,,,0.0,,,,0.0
COc1ccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2c(C)nn(C)c2C)cc1OC,CID3244881,,,,,0.0,,,0.0,,,,,,,,,0.0
CCc1cccc(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2c(C)n[nH]c2C)c1,CID3241950,,,,,0.0,0.0,,,,,,,,,,,
COC(=O)c1ccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2c(C)nn(C)c2C)cc1,CID9551629,,,,,,,,,,,,,,0.0,,,
COc1ccc(N(CC(=O)Nc2cccc(C)c2)S(=O)(=O)c2c(C)n[nH]c2C)cc1,CID3245595,,,,,0.0,,,,,,,,0.0,,,,
COc1ccc(N(CC(=O)Nc2cccc(OC)c2)S(=O)(=O)c2c(C)nn(C)c2C)cc1,CID3241905,,,0.0,,0.0,,,,,,,,,,,,0.0
CCOC(=O)CSc1nc(=O)c(-c2ccccc2)n[nH]1,CID717996,,,,,,,,,0.0,0.0,,,,,,,
C#CCSc1nc(=O)c(-c2ccccc2)n[nH]1,CID2199964,,,,,,,,0.0,,0.0,,,0.0,,,,0.0
C=CCSc1nc(=O)c(-c2ccccc2NC(C)=O)n[nH]1,CID1746595,,0.0,,,,,0.0,,0.0,0.0,0.0,0.0,,,,0.0,
CCCCCSc1nc(=O)c(-c2ccccc2NC(C)=O)n[nH]1,CID7103571,,,,,,,,,,,,,,,0.0,,
CCCCCOC(=O)CSc1nc(=O)c(-c2ccccc2)n[nH]1,CID2055020,,,,,,,0.0,0.0,,,,,,,,,
C=CCSc1nc(=O)c(-c2ccccc2NC(=O)CC)n[nH]1,CID2200028,,0.0,0.0,0.0,,,,0.0,0.0,0.0,,,,,0.0,,
CCCCSc1nc(=O)c(-c2ccccc2N)n[nH]1,CID2256070,,0.0,,0.0,,,,,,,,,0.0,,,,
CCCCSc1nc(=O)c(-c2cc(Br)ccc2N)n[nH]1,CID2057237,,,,,,,,,0.0,,,,,,,0.0,0.0
CCSc1nc(=O)c(-c2ccccc2NC(=O)CC)n[nH]1,CID3235810,,0.0,,0.0,,0.0,,,0.0,,0.0,0.0,0.0,,,0.0,
CCCC(=O)Nc1ccccc1-c1n[nH]c(SC)nc1=O,CID895002,,,,0.0,,,0.0,0.0,0.0,0.0,,0.0,,,,,
C=CCSc1nc(=O)c(-c2cc(Br)ccc2N)n[nH]1,CID2944345,0.0,,,,,,,,0.0,,,,,,,0.0,0.0
CCSc1nc(=O)c(-c2ccccc2N)n[nH]1,CID872647,,,,0.0,,,0.0,0.0,,0.0,,0.0,,,,,
CCSc1nc(=O)c(-c2ccccc2NC(C)=O)n[nH]1,CID3242914,,,,,,,0.0,,0.0,,,,,,,,
CCCSc1nc(=O)c(-c2ccccc2N)n[nH]1,CID2054748,,0.0,,,,,,,,0.0,,,0.0,,,,
CCCCCSc1nc(=O)c(-c2cc(Br)ccc2N)n[nH]1,CID3241362,0.0,,,,,,0.0,,0.0,,0.0,,,,,0.0,0.0
CCCSc1nc(=O)c(-c2ccccc2NC(=O)CC)n[nH]1,CID2298375,,0.0,,0.0,,,,,0.0,0.0,0.0,0.0,,,,,
CSc1nc(=O)c(-c2ccccc2)n[nH]1,CID550273,,,,,,,,0.0,,,0.0,,0.0,,,,0.0
Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(C(C)C)ccc3O)CC2)cc1,CID1040497,,,,,0.0,,,0.0,,,,,,,,0.0,
COc1ccc(S(=O)(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1,CID651944,0.0,0.0,0.0,,0.0,,,,,0.0,,,0.0,,0.0,,0.0
CCOc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)ccc1Br,CID2235773,0.0,,,,,,0.0,,0.0,,,,,,,0.0,0.0
Cc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3C(F)(F)F)CC2)cc1,CID2169050,0.0,,,,0.0,,,0.0,,,,,,,,0.0,0.0
Cc1ccccc1CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,CID759033,,,,,,,0.0,0.0,,,,,,,,,
COc1ccc(CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1Br,CID1360988,,,,,,,,,0.0,,0.0,,,,,,
O=S(=O)(c1ccc(F)cc1)N1CCN(Cc2ccccc2C(F)(F)F)CC1,CID1342725,0.0,,,,0.0,,,,,,,,,,,,
Cc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)cc1,CID1357678,,,,,,0.0,,,,,,,,,,,
O=S(=O)(c1ccccc1)N1CCN(Cc2cccc(Cl)c2)CC1,CID1364863,0.0,,,0.0,0.0,,,,,0.0,,,,,0.0,,0.0
COc1cc(C)c(C)cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1,CID2293923,0.0,,,,0.0,,0.0,,,0.0,,,,,,,
Cc1ccc(S(=O)(=O)N2CCN(Cc3cccc(C)c3O)CC2)cc1,CID652729,0.0,0.0,,0.0,0.0,,,,,,0.0,,0.0,,,,
O=S(=O)(c1ccccc1)N1CCN(Cc2ccccc2C(F)(F)F)CC1,CID1072238,0.0,,,,0.0,,,0.0,,0.0,,,,,,,
COc1ccc(C)cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1,CID654169,,0.0,0.0,,0.0,,,,,,,,,,,,
COc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1,CID660773,0.0,0.0,0.0,,0.0,,,,,0.0,,,,,0.0,,
COc1ccc(S(=O)(=O)N2CCN(Cc3cccc(Cl)c3)CC2)cc1,CID1360786,,0.0,0.0,0.0,0.0,,,,,,,0.0,0.0,,,0.0,0.0
COc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)ccc1Br,CID1264062,0.0,,,,,,0.0,,0.0,,0.0,,,0.0,,,0.0
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)cc1,CID1339985,,,,,,,,,,,,,,0.0,,,
Cc1c(C=O)c2ccccc2n1Cc1ccc(F)cc1,CID573338,,,,,,,,,,,,,,,0.0,,
O=Cc1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12,CID883381,,,,,,,,,,,,,,0.0,,,
O=C(O)CC(C(=O)O)c1cn(Cc2ccccc2)c2ccccc12,CID646232,,,,,,,0.0,,,,,,,,,,
N#Cc1cn(Cc2ccccc2)c2ccccc12,CID755331,,,0.0,,,,,0.0,,,,,,,,0.0,
CC(=O)c1cn(Cc2ccc(C#N)cc2)c2ccccc12,CID1088542,,,,,,,,,,,,,,0.0,,,
O=C(O)Cc1cn(Cc2cccc(Cl)c2)c2ccccc12,CID2764268,,,,,,,,,,,,,,0.0,,,
CCNC(=S)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12,CID1417095,,,,,,,,,,,,,,0.0,,,
O=[N+]([O-])/C=C/c1cn(Cc2ccccc2)c2ccccc12,CID826461,,,,,,1.0,,,,,,,,,,,
CCOC(=O)c1c(C)n(Cc2ccccc2Cl)c2ccc(O)cc12,CID786883,,,,,,0.0,,,,,,,,,,,
O=[N+]([O-])/C=C/c1cn(Cc2ccc(F)cc2)c2ccccc12,CID889149,,,,,,0.0,,,,,,0.0,,,,,
CC(C)C(=O)c1cn(Cc2ccccc2C#N)c2ccccc12,CID955366,0.0,,0.0,,,,,,,,,,,,,,
CCC(=O)c1cn(Cc2ccccc2C#N)c2ccccc12,CID955247,0.0,,,,0.0,,0.0,,,,0.0,,0.0,,0.0,0.0,
O=Cc1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12,CID883348,,,,,,,,,,,,,,0.0,,,
N#Cc1cn(Cc2cccc(Cl)c2)c2ccccc12,CID2236605,,,,0.0,,,0.0,,,,,,,,,,0.0
Cc1c(C=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1,CID883587,,,,,,,,,,,,,,0.0,0.0,,
N#Cc1ccccc1Cn1cc(/C=C/[N+](=O)[O-])c2ccccc21,CID1080347,,,,,,,,,,,,,,,0.0,,
O=Cc1cn(Cc2ccccc2[N+](=O)[O-])c2ccccc12,CID800829,,,,,,,,,,,,,,0.0,,,
COc1cc(OC)c(N2CC34C=CC(O3)C(C(=O)O)C4C2=O)cc1Cl,CID665036,,,,,,,,,,,,,,0.0,,,
CCCCCOC(=O)C1C2C=CC3(CN(c4ccccc4CC)C(=O)C13)O2,CID5389813,,,,,,,,0.0,,,,,,0.0,0.0,,
COc1cccc(N2CC34C=CC(O3)C(C(=O)O)C4C2=O)c1,CID652758,,,0.0,,,,,,,0.0,,,,,,,0.0
CCOC(=O)C1C2C=CC3(CN(c4ccccc4CC)C(=O)C13)O2,CID645087,,,,,,,,,,,,,,,,,0.0
Cc1cccc(N2CC34C=CC(O3)C(C(=O)O)C4C2=O)c1,CID652565,,,,,,,0.0,0.0,,0.0,,,,,,,0.0
COC(=O)C1C2C=CC3(CN(c4cccc(Cl)c4)C(=O)C13)O2,CID3154605,,,,,,,,,,,,,0.0,,,,
CCc1ccccc1N1CC23C=CC(O2)C(C(=O)OC)C3C1=O,CID3154603,,,,,,0.0,,0.0,,,,,,,,,0.0
CCc1ccccc1N1CC23C=CC(O2)C(C(=O)O)C3C1=O,CID3154602,,,,,,,,,,,,,,,,,0.0
CCOC(=O)C1C2C=CC3(CN(c4cccc(Cl)c4)C(=O)C13)O2,CID3154606,,,,,,,,,,,,,0.0,,,,
CCc1ccc(N2CC34C=CC(O3)C(C(=O)OC)C4C2=O)cc1,CID2947059,,,,,,,,,,0.0,,,,,,,
COC(=O)C1C2C=CC3(CN(c4cccc(C)c4)C(=O)C13)O2,CID3236727,,,,,,,,0.0,,0.0,0.0,,,,,,0.0
CCc1ccc(N2CC34C=CC(O3)C(C(=O)OC(C)C)C4C2=O)cc1,CID3154610,,,,,,,,,,,,0.0,,,,,
CCCCOC(=O)C1C2C=CC3(CN(c4ccccc4CC)C(=O)C13)O2,CID5389835,,,,,,,,0.0,,,,0.0,,,,,
CCOC(=O)C1C2C=CC3(CN(c4ccc(Cl)c(F)c4)C(=O)C13)O2,CID3154648,,,,,,,,,,,,0.0,,,,,0.0
COC(=O)C1C2C=CC3(CN(c4ccc(Cl)c(F)c4)C(=O)C13)O2,CID3154647,,0.0,,,,,,,,,,,,,,,
CCc1ccccc1N1CC23C=CC(O2)C(C(=O)OCC(C)C)C3C1=O,CID5158719,,,,,,0.0,,0.0,,,,,,,,,
CCCCCOC(=O)C1C2C=CC3(CN(c4ccccc4C)C(=O)C13)O2,CID3242448,,,,,,,,,,,,,0.0,,,,
COc1ccc(C2C(C(=O)NCCN(C)C)c3ccccc3C(=O)N2C)cc1OC,CID3245856,,,,,,,,,,,,,,,0.0,,
CCOc1cc(C2C(C(=O)O)c3cc(OCC)c(OCC)cc3C(=O)N2C)ccc1O,CID3236666,,,0.0,,,,,,,,,,0.0,0.0,,,
CCCCNC(=O)C1c2cc(OC)c(OC)cc2C(=O)N(C)C1c1ccc(OC)cc1,CID3238896,,,0.0,,,,,,,,,,,,,0.0,
CCOc1cc2c(cc1OCC)C(C(=O)O)C(c1cc(Br)c(O)c(OC)c1)N(C)C2=O,CID3240036,0.0,,,,,,,,,,,,,,,,0.0
COc1cc(OC)c(C2C(C(=O)O)c3ccccc3C(=O)N2C)cc1OC,CID3238167,,,,0.0,,,,,,,0.0,,,,,,
COc1cc2c(cc1OC)C(C(=O)O)C(c1cc(Br)c(O)c(OC)c1)N(C)C2=O,CID3240314,0.0,,,,,,,,,,,,,,,,0.0
CCN(CC)CCCNC(=O)C1c2ccccc2C(=O)N(C)C1c1ccc(OC)cc1,CID3239678,,,0.0,,,0.0,,,,,,0.0,,,,0.0,
CCOC(=O)CNC(=O)C1c2cc(OC)c(OC)cc2C(=O)N(C)C1c1ccccc1F,CID3245070,,,,,,,0.0,,,0.0,,,,,0.0,,
COCCN1C(=O)c2ccccc2C(C(=O)NCCN(C)C)C1c1ccc(F)cc1,CID3243933,,,,,,,,,,0.0,,,,,0.0,,
COc1ccc(C2C(C(=O)NC(C)C)c3ccccc3C(=O)N2C)cc1OC,CID3245245,,,,,0.0,0.0,,,,,,,,,,,
COCCNC(=O)C1c2ccccc2C(=O)N(CCOC)C1c1ccc(F)cc1,CID3237140,,0.0,,,,,0.0,,,0.0,,,,,0.0,,
CCOc1cc2c(cc1OCC)C(C(=O)O)C(c1cc(OC)c(OC)c(OC)c1)N(C)C2=O,CID3245973,,,0.0,,,,0.0,0.0,,,,,,,,,
COc1cc2c(cc1OC)C(C(=O)O)C(c1cccc(Cl)c1)N(C)C2=O,CID3240194,,0.0,,,,,,,,,,,,,,0.0,
COc1ccc(C2C(C(=O)O)c3ccccc3C(=O)N2C)cc1Br,CID3244052,0.0,,,,,,,,,,,,,,,,
COc1ccc(OC)c(C2C(C(=O)O)c3ccccc3C(=O)N2C)c1,CID3237230,,,,,,,0.0,,,,,,,,,,0.0
CCC(C)NC(=O)C1c2cc(OC)c(OC)cc2C(=O)N(C)C1c1ccc(OC)cc1,CID3245791,,,,,,,,,,,,,0.0,,,,
CCOc1cc2c(cc1OCC)C(C(=O)O)C(c1ccc(OC)c(O)c1)N(C)C2=O,CID3245704,,,,,,,,0.0,,,,,,,,,
CC1CCCN(S(=O)(=O)c2ccc(Br)s2)C1,CID3242720,,,,,,,,,0.0,,,,,,,,
CC1CCN(S(=O)(=O)c2ccc(Br)s2)CC1,CID893468,,,,,,,,,0.0,,,,,,,,
COC(=O)c1sc(S(=O)(=O)N2CCCCC2)c(C(=O)OC)c1C,CID1051351,,,,,0.0,0.0,0.0,,,,,,,0.0,,,
COC(=O)c1sc(S(=O)(=O)N2CCC(C)CC2)c(C(=O)OC)c1C,CID1051352,,,,,0.0,0.0,,,,,,,,0.0,0.0,,
O=C(O)C1CCCCN1S(=O)(=O)c1ccc(Cl)s1,CID2770846,,,,,,,,,,,,,0.0,,,,
Cc1ccc(S(=O)(=O)N2CCCC(C(=O)O)C2)s1,CID2985002,,,,,0.0,,,,,,,,,,,,
CCOC(=O)C1CCCN(S(=O)(=O)c2cccs2)C1,CID2942794,,,,,0.0,,0.0,,,0.0,,,,,0.0,,
CCC(C)(C)NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1,CID2089592,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(Br)s2)C1,CID2943555,,,,,,,,,0.0,,,,,,,,
O=C(O)C1CCCN(S(=O)(=O)c2cccs2)C1,CID2770156,,,,,,,,,0.0,,,,,,,,
O=S(=O)(c1ccc(Br)s1)N1CCCCC1,CID558610,,,,,,,,,0.0,,,,,,,,
CC(C)NC(=O)C1CCCN(S(=O)(=O)c2cccs2)C1,CID3239956,,,,,,,,,,0.0,0.0,0.0,,,,,
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)O)CC2)c(C(=O)OC)c1C,CID2405206,,,,,,,,,,,,,,,0.0,,
CCC(CC)NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1,CID2409473,,,,,,,,,,,,,,0.0,0.0,,
COC(=O)c1sc(S(=O)(=O)N2CCC(C(N)=O)CC2)c(C(=O)OC)c1C,CID2448209,,,,,,,,,,,,0.0,,,0.0,,
CCCNC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1,CID2443807,,,,,,,,,,,,,,0.0,,,
CCCS(=O)(=O)N1CCN=C1SCc1ccc(C)cc1,CID2148723,,,,,,,,,,,,,,0.0,,,
CCC(=O)N1CCN=C1SCc1ccc(Cl)cc1,CID3241414,,,,,,,,,,,,,,,,,0.0
CCC(=O)N1CCN=C1SCc1ccc(F)cc1,CID4074953,,,,,,,,,,,,,0.0,,,,
CC(=O)N1CCN=C1SCc1ccc(Br)cc1,CID5191194,0.0,,,,,,,,,,,,,,,,
CCCOc1ccc(CSC2=NCCN2)cc1[N+](=O)[O-],CID1597455,,,,,,,,,,,,,,,0.0,,
CC(=O)N1CCN=C1SCc1c(F)cccc1Cl,CID4612415,,0.0,,,,,0.0,,,,,,,,,,
CCC(=O)N1CCN=C1SCc1ccccc1,CID3609825,,0.0,,0.0,0.0,,,,,,,,,,,,
CCCS(=O)(=O)N1CCN=C1SCc1cccc(C)c1,CID2148687,,,,,,,,,,,,,,0.0,,,
CC(=O)N1CCN=C1SCc1ccc(C)cc1,CID3613267,,,,,0.0,,,,,,,,,,,,0.0
CC(=O)N1CCN=C1SCc1cccc(C(F)(F)F)c1,CID3242006,,,,,0.0,,,,,0.0,,,,,,,0.0
CC(=O)N1CCN=C1SCc1ccccc1,CID4639110,,0.0,0.0,,0.0,,,,,,,,,,,,
CC(=O)N1CCN=C1SCc1ccc(F)cc1,CID43541,,,0.0,,,,0.0,,,,,,,,,,
CC(=O)N1CCN=C1SCc1ccc(Cl)cc1,CID3249369,,0.0,0.0,,,,,,,,,,,,,0.0,
CC(=O)N1CCN=C1SCc1ccccc1F,CID4101503,,,,,,,,,,,,,,,,,0.0
CC(=O)N1CCN=C1SCc1ccccc1Cl,CID5054112,,0.0,0.0,,,,,,,,,0.0,0.0,,,,
CCC(=O)N1CCN=C1SCc1ccccc1Cl,CID4618460,,0.0,,,,0.0,,,,,,,,,,,
CC(=O)c1ccc(OC(=O)c2ccc(Br)o2)cc1,CID786607,0.0,,,,,,,,,,,0.0,,,,,0.0
CC(=O)Cc1ccccc1OC(=O)c1ccco1,CID655254,,,,,,0.0,,,0.0,,,,0.0,0.0,,,
CC(=O)Nc1ccc(OC(=O)c2ccco2)cc1,CID812967,,,,,,,,,0.0,0.0,,0.0,,,,,
COc1ccc(C(C)=O)c(OC(=O)c2ccco2)c1,CID889087,,,,,,,,,0.0,,,0.0,,,,,
CCOc1ccccc1OC(=O)c1ccco1,CID733822,,,,,,,,0.0,0.0,,,,0.0,0.0,,,
CCCOC(=O)c1ccc(OC(=O)c2ccco2)cc1,CID1721009,,,0.0,,,0.0,,,0.0,,,,,,0.0,,
CCC(=O)c1ccc(OC(=O)c2ccc(Br)o2)cc1,CID833525,0.0,,,,,,0.0,,,,0.0,,,,,,0.0
COC(=O)c1ccc(OC(=O)c2ccco2)cc1,CID654234,,,,,,,,0.0,,,0.0,,,1.0,,,0.0
CC(=O)COc1ccccc1OC(=O)c1ccco1,CID1548542,,,,,,,,,,,,0.0,,,,,
CC(=O)c1cc(Cl)ccc1OC(=O)c1ccco1,CID254793,,,,,,,0.0,,,,,,,0.0,,,0.0
CC(=O)c1cc(C)ccc1OC(=O)c1ccco1,CID776233,,,,,,,,,0.0,,,,0.0,0.0,,,
CC(=O)c1ccccc1OC(=O)c1ccco1,CID776230,,,,,,,,,0.0,0.0,,,,,,,0.0
CCCOc1ccc(OC(=O)c2ccc(Br)o2)cc1,CID3241128,0.0,,,,,,,,,,0.0,,,,,0.0,0.0
COC(=O)c1ccccc1OC(=O)c1ccc(Br)o1,CID2238621,0.0,,,,,,,,,,,0.0,,,,,
CN(C(=O)C(Cl)Cl)c1ccc(OC(=O)c2ccco2)cc1,CID19529,,,,,,,,,,0.0,,,0.0,,,,
Cc1ccc(OC(=O)c2ccc(Br)o2)cc1,CID878839,,,,,,,,,,,0.0,0.0,,,,,
CCC(=O)OC1CC(C)N(C(=O)c2ccccc2)c2ccc(C)cc21,CID3134422,,,,,,,,,,0.0,,,,,,,
CCCC(=O)OC1CC(C)N(C(=O)c2ccccc2)c2ccc(C)cc21,CID1128148,,,,,,0.0,,,,0.0,,,,,,,
CC(C)Oc1ccc(C(=O)N2CCCc3ccccc32)cc1,CID874620,0.0,,,,,0.0,0.0,,,,,,0.0,0.0,,,
CCc1ccc2c(c1)CCCN2C(=O)c1ccccc1C(=O)O,CID663165,,,,0.0,,,,0.0,,,,,0.0,,,,
COc1ccc(C(=O)N2CCCc3ccccc32)cc1,CID710667,,,,,,,,,0.0,0.0,,,,0.0,,0.0,
CCCOc1ccc(C(=O)N2CCCc3ccccc32)cc1,CID2182132,0.0,,,,,,0.0,,,0.0,0.0,,,,,,
O=C(c1ccccc1)N1CCCc2ccccc21,CID569322,,,,,,,,,0.0,,,,,,,,
CCOc1ccc(C(=O)N2CCCc3ccccc32)cc1OCC,CID606342,,,,,,0.0,,,,,,,,,,,
COc1cccc(C(=O)N2CCCc3ccccc32)c1,CID755245,,0.0,,,,0.0,,,0.0,,0.0,,,0.0,,,
COc1cc(C(=O)N2CCCc3ccccc32)cc(OC)c1OC,CID118752,,,,,,,,,,,0.0,,,,,,
COc1ccc(C(=O)N2c3ccc(F)cc3CCC2C)cc1OC,CID2886362,,,,,,,0.0,,,,,,,,,,
CC(=O)OC1CC(C)N(C(=O)c2ccccc2)c2ccc(C)cc21,CID645583,,,,,,,,0.0,,,,,,,,,
COc1cc(OC)cc(C(=O)N2CCCc3ccccc32)c1,CID694545,,,,,,,0.0,0.0,0.0,,0.0,,,,,,
CC(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1,CID660024,0.0,,,,0.0,,,,,,0.0,,,0.0,,0.0,
COc1cc(C(=O)N2CCCc3ccccc32)c([N+](=O)[O-])cc1OC,CID775344,,,,,,0.0,,,,,,,,,,,
COc1cc(OC)cc(C(=O)N2c3ccc(F)cc3CCC2C)c1,CID646590,,,,,,,,,,,,0.0,,,,,
CCOC(=O)Nc1sc2c(c1C(=O)OCC)CCC2,CID648579,,,0.0,,0.0,,,,,,,,,,,,
CCCOC(=O)c1c(N)sc2c1CCC2,CID1714051,,,,,0.0,,0.0,,,,,,,,,,
CCOC(=O)c1c(NC(=O)OC)sc2c1CCC2,CID2862852,,,0.0,,0.0,,0.0,,,,,,,,,,
CCC(=O)Nc1sc2c(c1C(N)=O)CCC2,CID3000134,,,,,0.0,,0.0,,,,,,,,,,0.0
COCC(=O)Nc1sc2c(c1C(=O)OC)C(C(=O)OC)CC2,CID2955547,,,,,,,,,0.0,,,,,,,0.0,
COC(=O)c1c(NC(=O)C(C)C)sc2c1C(C(=O)OC)CC2,CID3151749,,,,,,,,,0.0,,,,,,,,
CCOC(=O)C1CCc2sc(N)c(C#N)c21,CID2814594,,,,,0.0,,0.0,,,,,,,,,,
CCOC(=O)c1c(NC(=O)CN(CC)CC)sc2c1CCC2,CID2860266,,,,0.0,,,,,,,,,0.0,,,,
CN(C)/C=N/c1sc2c(c1C#N)CCC2,CID2999708,,,,0.0,,,0.0,,,,,0.0,,,,,
CCCC(=O)Nc1sc2c(c1C(=O)OC)C(C(=O)OC)CC2,CID3129644,,,,,,,,,0.0,,,,,,,,
CCCCC(=O)Nc1sc2c(c1C(N)=O)CCC2,CID2941851,,0.0,,0.0,0.0,,0.0,,,,,,0.0,,,,
CCCCOC(=O)Nc1sc2c(c1C(=O)OC)CCC2,CID2790144,,,,0.0,0.0,,0.0,0.0,,,,,,,,,
CCOC(=O)c1c(NC(=O)CCCC(=O)O)sc2c1CCC2,CID2927337,,,,,,,,,,,,,,0.0,,,
CCCOC(=O)Nc1sc2c(c1C(=O)OCC)CCC2,CID2787359,,0.0,0.0,0.0,0.0,0.0,0.0,,,0.0,,,,,,,0.0
O=C(NCCO)c1cc2c(s1)CCC2,CID3868055,,,,,,,,,,,0.0,0.0,,,,,
CCOC(=O)c1c(NC=O)sc2c1CCC2,CID759951,,,,,,,,,,,0.0,,,,,,
COc1ccc(C)cc1NC(=O)c1cnc2n(c1=O)CCS2,CID3236999,0.0,0.0,0.0,,,,,,0.0,0.0,0.0,,,,0.0,0.0,
CSc1ccccc1NC(=O)c1cnc2n(c1=O)CCS2,CID4123589,0.0,0.0,,,0.0,0.0,,,,,,,,,,,
COc1ccc(NC(=O)c2cnc3n(c2=O)CCS3)cc1OC,CID4197069,,0.0,,,,,,,,,,,0.0,,,0.0,
O=C(Nc1cccc(C(F)(F)F)c1)c1cnc2n(c1=O)CCS2,CID4123591,,0.0,,,0.0,,,,0.0,,,0.0,,,,,
CCc1ccc(NC(=O)c2cnc3n(c2=O)CCS3)cc1,CID4462576,0.0,,,,,,,,,,,,,,,0.0,
COc1ccc(OC)c(NC(=O)c2cnc3n(c2=O)CCS3)c1,CID4197070,,,,0.0,,,,,,,0.0,,,,,0.0,
CCOc1ccccc1NC(=O)c1cnc2n(c1=O)CCS2,CID3243622,0.0,,,,,,,0.0,0.0,,,,,,,,
CCc1ccccc1NC(=O)c1cnc2n(c1=O)CCS2,CID3561054,,0.0,,,,,,0.0,,,,,,,,0.0,
COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cnc3n(c2=O)CCS3)c1,CID3236355,,,,,,,,0.0,,,,,,,,0.0,0.0
Cc1cccc(NC(=O)c2cnc3n(c2=O)CCS3)c1,CID3242567,,0.0,,0.0,,,0.0,,,,,,,,,0.0,0.0
CCCCOC(=O)c1ccc(NC(=O)c2cnc3n(c2=O)CCS3)cc1,CID3240190,,,0.0,,,,,,0.0,,0.0,,0.0,,,0.0,0.0
O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc2n(c1=O)CCS2,CID3710924,0.0,0.0,,,0.0,,0.0,0.0,,,,,,,,,
O=C(Nc1ccccc1)c1cnc2n(c1=O)CCS2,CID5069368,,0.0,,0.0,,,,0.0,,,,,0.0,0.0,,,
COc1ccc(Cl)cc1NC(=O)c1cnc2n(c1=O)CCS2,CID4384144,0.0,,0.0,,,,,,,,,,0.0,,,,
COc1ccccc1NC(=O)c1cnc2n(c1=O)CCS2,CID3241956,,0.0,,0.0,,,,0.0,,,,,,,,0.0,
CCCCN(C(=O)c1cnc2n(c1=O)CCS2)c1ccccc1,CID4688002,,,,,,,,,,,,0.0,,,,,
COc1ccc(-c2cc3ncc(C(C)=O)c(C)n3n2)cc1,CID754768,,,,,,,,,,,,,,0.0,0.0,,
CCOC(=O)c1c(-c2cccc(OC)c2)nn2c(C)cc(C)nc12,CID5309074,,,,0.0,,,,,,,,,,,,0.0,
COc1cc(OC)cc(-c2cc3nc(C)c(CCC(=O)O)c(C)n3n2)c1,CID5307346,,,,,,,0.0,,,,,,,,,,
Cc1cc(N)n2nc(-c3ccc(C(C)(C)C)cc3)cc2n1,CID804588,,,,,,,,,0.0,,,0.0,,,,,
CC(=O)c1cnc2cc(-c3ccccc3)nn2c1C,CID708078,,0.0,,,,,,,,,,,,,0.0,,0.0
COc1ccc(-c2cc3nc(C)cc(N)n3n2)cc1,CID754796,,,,,,,,,,,,0.0,,,,,
CC(=O)c1cnc2cc(-c3ccc(Cl)cc3)nn2c1C,CID677918,,,,,,,,,,0.0,0.0,,,,0.0,,
Cc1c(C(=O)O)cnc2cc(-c3ccc(Cl)cc3)nn12,CID5308312,,0.0,,,,,0.0,,,,,,,,,,
COc1ccc(-c2cc3nc(C)cc(C)n3n2)cc1,CID754731,,,,,,,,,,,,,,,0.0,,
Cc1cccc(-c2cc3nc(C)cc(NCCCN(C)C)n3n2)c1,CID644702,,0.0,,,,,,,,,,,,,,,
COc1cccc(-c2nn3c(C)cc(C)nc3c2C(=O)O)c1,CID3241920,,,,,,,,,,,,,0.0,,,,
Cc1cc(N)n2nc(-c3ccccc3)cc2n1,CID2055975,,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2cc3nc(C)cc(NCCO)n3n2)cc1,CID652377,,0.0,,,,,,,,,,,0.0,0.0,0.0,,
CCOC(=O)c1c(-c2cccc(OC)c2)nn2c(C)c(CCC(=O)O)c(C)nc12,CID3242705,,,0.0,,,,,,,,,,,,,,0.0
CC(=O)c1cnc2cc(-c3ccc(C)cc3)nn2c1C,CID684290,,,,,,,,,,,,,,,0.0,,
CC(=O)c1cnc2cc(-c3cccc(Br)c3)nn2c1C,CID761949,,,,,,,,,,,,,,0.0,,,
CC(Oc1ccc(Cl)cc1)C(=O)Nc1nccs1,CID2899080,,0.0,0.0,,,,,,,,,,,,,,0.0
CC(=O)c1sc(NC(=O)COc2c(C)cc(Cl)cc2C)nc1C,CID2122292,,,,,,,,,,,,,,,0.0,,
COC(=O)c1sc(NC(=O)COc2c(C)cccc2C)nc1C,CID1285343,,,,,,,,,,,,,,,0.0,,
O=C(COc1ccc(Cl)cc1)Nc1ncc([N+](=O)[O-])s1,CID3148028,,,,,,,,,,,,,,,0.0,,
CC(=O)c1sc(NC(=O)COc2ccc(C(C)C)c(C)c2)nc1C,CID2122608,,,,,,,,,,,,,,,0.0,,
CCC(C)c1ccccc1OCC(=O)Nc1nccs1,CID2879564,,,,,,0.0,,,,,,,,,,,
CCOC(=O)Cc1csc(NC(=O)COc2ccc(OC)cc2)n1,CID986301,,,,0.0,,,,,0.0,0.0,0.0,,,,,,
CC(=O)c1sc(NC(=O)COc2ccc(Br)cc2)nc1C,CID993137,,,,,,,,,,,,,,0.0,,,
Cc1cnc(NC(=O)COc2ccccc2)s1,CID2673081,,0.0,,,0.0,,,,,0.0,,,0.0,,,,0.0
COC(=O)c1sc(NC(=O)COc2ccccc2)nc1C,CID647925,,,,,,,0.0,0.0,,,0.0,,,,,0.0,
Cc1cnc(NC(=O)COc2ccccc2Cl)s1,CID2673126,0.0,0.0,,0.0,,,,,,0.0,,,,,,,0.0
COc1ccc(OCC(=O)Nc2nccs2)cc1,CID721272,,,,,,,,,,,,,,0.0,,,
O=C(COc1ccc(F)cc1)Nc1nccs1,CID693869,,,,,,,0.0,,,,0.0,,,,,,
COC(=O)c1sc(NC(=O)COc2ccccc2OC)nc1C,CID805985,,0.0,0.0,0.0,,,,,,,0.0,,,,,0.0,
CCOC(=O)Cc1csc(NC(=O)COc2ccccc2)n1,CID2066144,,,,0.0,,,0.0,0.0,,,,,,,,0.0,
CCOC(=O)Cc1csc(NC(=O)COc2ccccc2OC)n1,CID1357470,,,,,,,,,,,,,,,,0.0,
CCn1c(SCC(N)=O)nc2sc3c(c2c1=O)CCCC3,CID742745,,,,,,,,,,,0.0,,,,,,
CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3,CID742749,,,,0.0,,0.0,,,,,,,,,,,
CC(=O)OCc1nc2sc3c(c2c(=O)[nH]1)CCCC3,CID7309632,,,,,,,,,,,0.0,,,,0.0,,
CC(C)CCOCc1nc2sc3c(c2c(=O)[nH]1)CCC(C)C3,CID3231554,,,,,,,,,,,,0.0,,,,,
CSc1nc2sc3c(c2c(=O)n1C)CCCC3,CID735496,,0.0,0.0,,,,0.0,,,,,,0.0,,,,
CSc1nc2sc3c(c2c(=O)[nH]1)CCC(C)C3,CID659162,,,0.0,,,,,,,,,,,,,,
CCOC(=O)CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3,CID717502,,,,,,,,,,0.0,0.0,,0.0,,,,
CCOC(=O)c1nc2sc3c(c2c(=O)[nH]1)CCCC3,CID329038,,,,0.0,,,0.0,,0.0,,,,,,,,
COCc1nc2sc3c(c2c(=O)[nH]1)CCCC3,CID852988,,,,,,,,,,,,,,,0.0,,
O=c1[nH]cnc2sc3c(c12)CCCC3,CID98614,,,0.0,,0.0,,,,,,,,0.0,,,,
Cc1nc2sc3c(c2c(=O)n1NC(=O)CCBr)CCCC3,CID1736409,,,,,,,,,,,,,,0.0,,,
CN(C)CCNC(=O)CCCNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3,CID9551213,,,,,,,,,,0.0,,,,,,,
CCn1c(SCC(=O)NCCOC)nc2sc3c(c2c1=O)CCCC3,CID2529898,0.0,,,,0.0,,0.0,,0.0,,,,,,,0.0,
CCN(CC)C(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3,CID2427627,,,,,,,,,,,0.0,,,,,,
CSc1nc2sc3c(c2c(=O)n1C)CCC(C)C3,CID3239429,,,,,0.0,0.0,,,,,,,,,,,
CCSc1nc2sc3c(c2c(=O)[nH]1)CCCC3,CID767975,,,,,,,,,,0.0,,0.0,,,,,
NC1=C([N+](=O)[O-])C(c2ccc(F)cc2)C2=C(CCCC2=O)O1,CID4147723,,,,,,,,,,,,,,0.0,,,
COc1cc(OC)c(C2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1OC,CID2828670,0.0,,0.0,,0.0,,,,,,,0.0,0.0,,,,
COc1ccc(C2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(OC)c1OC,CID649019,0.0,,0.0,,0.0,,0.0,,,,,0.0,0.0,,,,0.0
COc1cc(C2C3=C(CC(C)(C)CC3=O)OC(N)=C2[N+](=O)[O-])ccc1O,CID3301109,,,,,,,,,,,,,,0.0,,,
COc1cc(OC)c(C2C(C#N)=C(N)OC3=C2C(=O)CC(C)C3)cc1OC,CID2839017,0.0,0.0,,,0.0,,,0.0,,,,0.0,,,,,0.0
COc1ccc(C2C(C#N)=C(N)OC3=C2C(=O)CC(C)C3)c(OC)c1OC,CID2839016,,,,,0.0,,,0.0,,,,0.0,,,,,0.0
COc1ccc(C2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c([N+](=O)[O-])c1OC,CID11835888,,,,,,0.0,,,,,,,,,,,
CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)C1c1ccccc1OCC#N,CID656102,0.0,,,,,,,,,,,0.0,,,,,
COc1cc(C2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c([N+](=O)[O-])cc1OC,CID2831098,,,,,,0.0,,,,,,0.0,,,,,
COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)C1c1ccccc1OCC#N,CID3158965,,,,,,,,,,,,,,0.0,,,
CCOc1ccccc1C1C(C(=O)OC)=C(N)OC2=C1C(=O)CCC2,CID652617,0.0,,,,0.0,,,0.0,,,,,,,0.0,,
N#CC1=C(N)OC2=C(C(=O)CCC2)C1c1ccccc1,CID605218,0.0,,,,,,,,,0.0,,0.0,,,,,
COc1ccc(C2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c(OC)c1OC,CID2828669,0.0,,,,0.0,,,0.0,,,,,,,,,
CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)C1c1ccccc1OCC,CID2892580,0.0,,,,0.0,,,0.0,,0.0,,,,,,,
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C2c1ccccc1,CID2737879,0.0,,,,,,,,,0.0,,0.0,0.0,,,0.0,
COc1cccc(C2C3=C(CC(C)(C)CC3=O)OC(N)=C2[N+](=O)[O-])c1,CID3439688,,,,,,0.0,,,,,,,,,,,
O=C1c2oc3ccccc3c(=O)c2C(c2cccc(O)c2)N1c1ccccn1,CID5263280,,,0.0,,,,,0.0,,,,,,,0.0,,
CCOc1cccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)c1,CID3714439,0.0,,,,0.0,,0.0,,,,,,,,,,
COc1cc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C)cn2)ccc1O,CID3315129,,,,,0.0,,,,,,,,0.0,,,,
Cc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2cccc(O)c2)nc1,CID3314951,,0.0,0.0,,0.0,,0.0,,,,,,0.0,,,,
COc1cc(C2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cc(C)ccn2)cc(OC)c1OC,CID663659,,,,,0.0,,0.0,,0.0,,,,0.0,,,,
COc1ccc(C2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cc(C)ccn2)cc1OC,CID663460,,,,,0.0,,,0.0,0.0,,,,,,,,
Cc1ccc2oc3c(c(=O)c2c1)C(c1cccc(O)c1)N(c1ccccn1)C3=O,CID3360990,,,,,0.0,,,0.0,,,0.0,,,,,,
CCOc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C)cn2)cc1OC,CID3601836,,,,,0.0,,,,,,,,,,,,
COc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)cc1OC,CID3298053,0.0,,0.0,,0.0,,,,,,0.0,,,,,,
C=CCOc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)cc1OCC,CID5263282,,,,,,,0.0,,,,,,,,,,
CCOc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)cc1OC,CID3654990,0.0,,,,,,,,,,,,0.0,,,,
COc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C)cn2)cc1OC,CID5050440,,,,,0.0,,0.0,,,,,,,,,,
C=CCOc1cccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)c1,CID3820149,0.0,,0.0,,0.0,,,,,,,,,,,,
COc1cc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2cc(C)ccn2)ccc1O,CID664388,,,0.0,,0.0,,,0.0,,,,,,,0.0,,
COc1cccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)c1,CID3692677,0.0,0.0,,,0.0,,,,,,,,,,,,
COc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)cc1,CID3298051,0.0,,,,0.0,0.0,,,,,,,,,,,
COc1cnc(-c2ccccc2)nc1Oc1cccc(C)c1C,CID1472558,,,,,,0.0,,,,,,0.0,,0.0,0.0,,
COc1cnc(-c2ccccc2)nc1Oc1ccc(C(C)(C)C)cc1,CID1472559,,,,,,,,,,,,0.0,,,,,
CS(=O)(=O)c1cnc(-c2ccccc2)nc1Oc1ccc(F)cc1,CID1487620,,,,,,,,,,,,0.0,,,,,
COc1cnc(-c2ccccc2)nc1Oc1cccc(C)c1,CID1472565,,,,,,,,,,,,0.0,,,,,
COc1cnc(-c2ccccc2)nc1Oc1ccccc1C,CID1472564,,,,,,0.0,,,,,,0.0,,,,,
COc1cnc(-c2ccccc2)nc1Oc1ccc(Cl)cc1C,CID1472566,,,,,,,,,,,,,,0.0,,,
O=C(O)c1cnc(-c2ccccc2)nc1Oc1ccccc1,CID1474633,,,,,,,,,,,,,,0.0,0.0,,
CCOC(=O)c1cnc(-c2ccccc2)nc1Oc1cccc(Cl)c1,CID1474632,,,,,,0.0,,,,,,,,0.0,,,
CCOC(=O)c1cnc(-c2ccccc2)nc1Oc1ccc(OC)cc1,CID1474631,,,,,,,,,,,,,,0.0,,,
Cc1cc(Oc2ccccc2)nc(-c2ccccc2)n1,CID796212,0.0,,,,,,0.0,0.0,,,,,,,0.0,,
CCOC(=O)c1cnc(-c2ccccc2)nc1Oc1ccc(C)cc1,CID1474628,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1cnc(-c2ccccc2)nc1Oc1ccccc1,CID1474625,,,,,,,,,,,,0.0,,0.0,0.0,,
CCOC(=O)c1cnc(-c2ccccc2)nc1Oc1ccc(Cl)cc1,CID1474626,,,,,,0.0,,,,,,,,,,,
CS(=O)(=O)c1cnc(-c2ccccc2)nc1Oc1ccc(Cl)cc1,CID1487963,,,,,,,,,,,,,,,0.0,,
Cc1ccc(Oc2nc(-c3ccccc3)ncc2S(C)(=O)=O)cc1,CID1487964,,,,,,,,,,,,,,0.0,,,
Cc1cc(Cl)ccc1Oc1nc(-c2ccccc2)ncc1S(C)(=O)=O,CID1487968,,,,,,,,,,,,,,,0.0,,
O=C1C=CC(Br)=C/C1=C1\C=C(c2ccc(Cl)cc2)NN1,CID5421778,,,,,,,,,,,,,,,0.0,,
COc1ccc(C2=C/C(=C3/C=C(F)C=CC3=O)NN2)cc1OC,CID5389566,,,,,,,,,,,,,,,,,0.0
COC1=C/C(=C2/C=C(c3ccc(OC)cc3)NN2)C(=O)C=C1,CID9549340,,,,,,,,,,0.0,,,,,,,
COc1ccc(C2=C/C(=C3/C=CC=CC3=O)NN2)cc1OC,CID5348518,,,,,,,,0.0,,,,,,,,,
CC1=CC(=O)/C(=C2/C=C(c3ccccc3Cl)NN2)C=C1,CID5333974,,,,,,,0.0,,,,,,,,,,
COc1ccccc1C1=C/C(=C2/C=C(Cl)C=CC2=O)NN1,CID5389500,,,,,,,0.0,,,,,,,,0.0,,
O=C1C=CC(Cl)=C/C1=C1\C=C(c2ccccc2)NN1,CID5339816,,0.0,,,,,0.0,,,,,,,,,,0.0
O=C1C=CC=C/C1=C1\C=C(c2ccccc2Cl)NN1,CID5339594,,,,,,,,,,,,,,,,,0.0
Cc1ccccc1C1=C/C(=C2/C=CC=CC2=O)NN1,CID5771728,,,,,,,0.0,,,,,,,,,,
CC1=C/C(=C2/C=C(c3ccccc3F)NN2)C(=O)C=C1,CID5422632,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(C2=C/C(=C3/C=C(Cl)C=CC3=O)NN2)cc1OC,CID5348719,,,,,,0.0,,,,,,,,,,,
O=C1C=CC(Cl)=C/C1=C1\C=C(c2cccc(Br)c2)NN1,CID5345508,,,,,,,,,,,,0.0,,,,,
CC1=CC(=O)/C(=C2/C=C(c3cccc(F)c3)NN2)C=C1,CID5405419,,,,,,,,,,,,,,,,0.0,
CC1=C/C(=C2/C=C(c3ccccc3C)NN2)C(=O)C=C1,CID5405417,,,0.0,0.0,,,,,,,,,0.0,,,,
O=C1C=CC=C/C1=C1\C=C(c2cccc(F)c2)NN1,CID5405414,,,,,,,0.0,,0.0,,,,,,,,
CC1=C/C(=C2/C=C(c3ccccc3[N+](=O)[O-])NN2)C(=O)C=C1,CID5395500,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1cccc(NC(=O)Cn2cc3c(n2)CCC(C)C3)c1,CID5308710,,0.0,,,,,,0.0,,,,,,,,,
Cc1ccc(NC(=O)Cn2cc3c(n2)CCC(C)C3)cc1,CID5309832,,,,,,,,,,,0.0,,,,0.0,,
CN(C)c1ccc(NC(=O)Cn2cc3c(n2)CCCC3)cc1,CID5309243,,0.0,,,,,,,,,,,,,,,0.0
CCc1cccc(NC(=O)Cn2cc3c(n2)CCCC3)c1,CID5309337,0.0,,,,,,0.0,,,,,,,,0.0,0.0,
CC1CCc2nn(CC(=O)Nc3ccc(F)cc3F)cc2C1,CID5308897,,,,0.0,,,,,,,,,,,,,
O=C(Cn1cc2c(n1)CCCC2)Nc1cc(F)ccc1F,CID5307278,,,,,,,,,,,,,0.0,,,,
Cc1cc(C)c(NC(=O)Cn2cc3c(n2)CCCC3)c(C)c1,CID5308838,,,,,,,0.0,,,,,,0.0,,,,
CC(=O)Nc1ccc(NC(=O)Cn2cc3c(n2)CCCC3)cc1,CID3238800,,0.0,0.0,0.0,,,,0.0,,,,,0.0,,,,
CC1CCc2nn(CC(=O)Nc3c(F)cc(F)cc3Br)cc2C1,CID5308615,0.0,,,,,,,,,,,,,,,0.0,
COC(=O)c1ccccc1NC(=O)Cn1cc2c(n1)CCC(C)C2,CID5308797,,0.0,,,,,,0.0,,,,,,,0.0,,
Cc1ccc(Cl)cc1NC(=O)Cn1cc2c(n1)CCCC2,CID5307659,0.0,,,,,0.0,0.0,,,,,,,,,,
CCOC(=O)c1ccc(NC(=O)Cn2cc3c(n2)CCC(C)C3)cc1,CID5307715,,,,0.0,,,,,,,,,,,,,
O=C(Cn1cc2c(n1)CCCC2)Nc1ccccc1Cl,CID5309359,0.0,,0.0,,,,,,,,,,,,0.0,0.0,
O=C(Cn1cc2c(n1)CCCC2)Nc1ccccc1Br,CID5309546,0.0,,,,,,,,,,,,,,,,
CC(=O)c1cccc(NC(=O)Cn2cc3c(n2)CCCC3)c1,CID5309862,,,,,,,,,,,,,,,0.0,,
CC(=O)Nc1ccc(NC(=O)Cn2cc3c(n2)CCC(C)C3)cc1,CID3244916,,0.0,0.0,,,,,,,,,,0.0,,,0.0,
COC(=O)c1cc(Br)c(=O)n(-c2ccccc2OC)c1,CID661081,0.0,,,,,,,,,,0.0,0.0,,,,,0.0
COC(=O)c1cc(Br)c(=O)n(-c2ccc(F)cc2)c1,CID940237,,,,,,,,,0.0,,0.0,,,,0.0,,
Cc1ccc(-n2c(C)cc(C)c(C#N)c2=O)cc1Cl,CID646296,,0.0,0.0,,,,,,,,,0.0,,,,0.0,0.0
Nc1ccn(-c2ccc(Cl)cc2)c(=O)c1,CID664356,0.0,,,,,,0.0,,,0.0,,,,,,0.0,0.0
Cc1cc(C)n(-c2cccc(Cl)c2)c(=O)c1C#N,CID647234,,0.0,,0.0,,,0.0,,,0.0,,,,,,0.0,0.0
Cc1cc(C)n(-c2cc(Cl)cc(Cl)c2)c(=O)c1C#N,CID1079997,,,,,,,,,,0.0,,,,,,,
Cc1ccc(-n2c(C)cc(C)c(C#N)c2=O)cc1,CID653940,0.0,,,,,0.0,,,0.0,0.0,,,,0.0,,,
NC(=O)c1cc(Cl)cn(-c2ccccc2)c1=O,CID4432959,0.0,,,,,,,,,,,,0.0,,,,
COC(=O)c1cc(Br)c(=O)n(-c2ccc(C(C)=O)cc2)c1,CID661069,0.0,,,,,,,,0.0,,,,,,,,0.0
COC(=O)c1cc(Br)c(=O)n(-c2cccc(F)c2)c1,CID935349,,,,,,,,,0.0,,,,,,,,
COC(=O)c1cc(Br)c(=O)n(-c2ccccc2F)c1,CID949745,,,,,,,,,0.0,,,0.0,,,0.0,,
Cc1ccc(-n2c(C)cc(C)c(C#N)c2=O)cc1C,CID957312,,,,,,,,,,,,,,,0.0,,
COC(=O)c1cc(Br)c(=O)n(-c2ccc(OC)cc2)c1,CID661258,0.0,,,,,,,,,,,0.0,,,,,
COC(=O)c1ccc(=O)n(-c2ccc(OC)cc2)c1,CID661040,,,0.0,0.0,,0.0,,0.0,0.0,,,,,,,0.0,0.0
Nc1ccn(-c2ccccc2)c(=O)c1,CID664174,,,,,,,0.0,,,,,0.0,,,,,
Cc1cccc(-n2c(C)cc(C)c(C#N)c2=O)c1,CID954134,,,,,,,,,,,,,,,0.0,,
Clc1ccc(OCc2nn3c(-c4ccccc4)nnc3s2)c(Cl)c1,CID2047470,0.0,,,,,,,,,,0.0,,0.0,,,0.0,
CCOc1ccc(-c2nnc3sc(COc4ccccc4)nn23)cc1,CID662370,0.0,,,,0.0,,,,,,,,,0.0,,,
COc1ccccc1-c1nnc2sc(COc3ccc(F)cc3)nn12,CID666057,0.0,0.0,,,0.0,,,,,0.0,,,,,,,
COc1ccc(OCc2nn3c(-c4cccc(OC)c4)nnc3s2)cc1,CID665708,0.0,,,,0.0,,0.0,,,,0.0,,0.0,0.0,,0.0,
COc1ccc(-c2nnc3sc(COc4ccccc4)nn23)cc1,CID662410,0.0,0.0,,,0.0,,0.0,0.0,,,,,,0.0,,,
CCOc1cccc(-c2nnc3sc(COc4ccc(OC)cc4)nn23)c1,CID665759,0.0,,0.0,,0.0,,,,,,,,0.0,,,,0.0
CCOc1cccc(-c2nnc3sc(COc4ccc(Cl)cc4)nn23)c1,CID665855,0.0,0.0,0.0,0.0,0.0,0.0,,,,,0.0,0.0,,,,,0.0
COc1ccccc1-c1nnc2sc(COc3ccc(Cl)cc3Cl)nn12,CID662888,0.0,,,,0.0,,,,,,,,0.0,,,,
COc1ccc(-c2nnc3sc(COc4ccc(C)cc4)nn23)cc1,CID665573,0.0,,,0.0,0.0,,,0.0,,,,,,0.0,,0.0,
CCOc1ccc(-c2nnc3sc(COc4ccc(C)cc4)nn23)cc1,CID665744,0.0,,,,0.0,,0.0,,,,,,0.0,0.0,,0.0,
CCOc1cccc(-c2nnc3sc(COc4ccc(C)cc4)nn23)c1,CID665791,0.0,,,,0.0,0.0,0.0,0.0,,0.0,,,,,,0.0,
CCOc1cccc(-c2nnc3sc(COc4ccccc4)nn23)c1,CID662465,0.0,,,,0.0,,0.0,,,,,,,,,,
COc1ccccc1-c1nnc2sc(COc3ccccc3)nn12,CID663268,0.0,0.0,,,0.0,,0.0,,,0.0,,,,0.0,,,
COc1ccccc1-c1nnc2sc(COc3ccc(Cl)cc3)nn12,CID665727,0.0,,,0.0,0.0,,,,,,,0.0,,,,,0.0
CCOc1ccc(-c2nnc3sc(COc4ccc(Cl)cc4)nn23)cc1,CID665495,0.0,,,,0.0,,,,,,,,,,,,0.0
CCOc1ccccc1OCc1nn2c(-c3ccc(C)cc3)nnc2s1,CID989979,,0.0,0.0,,0.0,,0.0,,,,,,,,,0.0,
COc1ccc(C2=CC(c3ccc(C)cc3)N3NN=NC3=N2)cc1,CID5389469,,,,0.0,,,0.0,0.0,,,,,,,,,
COc1ccccc1C1C=C(c2ccc(C)cc2)N=C2N=NNN21,CID5389462,,,,,,,,,,,0.0,,,,,,
COc1ccc(C2=CC(c3ccc(F)cc3)N3NN=NC3=N2)cc1,CID5310721,,,,,,,,0.0,,,,,,,,,
COc1cccc(C2=CC(c3ccccc3)N3NN=NC3=N2)c1,CID5389334,,,,,,0.0,,,,,,,,,0.0,,0.0
COc1ccc(C2C=C(c3ccccc3)N=C3N=NNN32)cc1,CID5310783,,,,,,0.0,0.0,,,,,,,,,,
COc1cccc(C2=CC(c3ccc(N(C)C)cc3)N3NN=NC3=N2)c1,CID5389474,,,0.0,,,,,,0.0,,,,,,,,
COc1cccc(C2C=C(c3ccc(OC)cc3OC)N=C3N=NNN32)c1,CID5389475,,,,,,0.0,,0.0,,,,,,,,,
CCOc1ccc(C2C=C(c3ccc(C)cc3)N=C3N=NNN32)cc1,CID5389472,,,,,,0.0,,,,,,,,,,,
COc1ccc(C2=CC(c3cccc(OC)c3)N3NN=NC3=N2)cc1,CID5389327,,,,,,,,0.0,,,,,,0.0,,,
COc1ccc(OC)c(C2C=C(c3ccc(C)c(C)c3)N=C3N=NNN32)c1,CID5771413,,,,,,,,0.0,,,,,,,,,
COc1cccc(C2=CC(c3cccc(OC)c3OC)N3NN=NC3=N2)c1,CID5771404,,0.0,,,,,,,,,,,,,,,
COc1ccc(C2=CC(c3ccc(OC)c(OC)c3)N3NN=NC3=N2)c(OC)c1,CID5389452,,,,0.0,,,,,,,,,,,,,
COc1cccc(C2=CC(c3cc(OC)ccc3OC)N3NN=NC3=N2)c1,CID5771449,,,0.0,,,,,,,0.0,,,,,,,
Cc1ccc(C2=CC(c3ccc(N(C)C)cc3)N3NN=NC3=N2)cc1,CID5309765,,,,,,0.0,,,,,,,,,,0.0,
CCOc1ccc(C2C=C(c3ccccc3)N=C3N=NNN32)cc1,CID5389457,,,0.0,,,0.0,,0.0,,,,,,,,,
COc1cccc(C2=CC(c3ccc(OC)c(OC)c3OC)N3NN=NC3=N2)c1,CID5771382,,,,0.0,,,,,,,,,,,,,
COc1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1OC,CID4182168,,,,,,0.0,,,,,0.0,,,,,,
O=C(O)c1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1,CID653140,,0.0,,,0.0,,,,,,,,0.0,0.0,,,
Cc1cccc(N(C)S(=O)(=O)c2cccc3nsnc23)c1,CID3243892,,0.0,,,,,,,,,,,,,,,
CSc1cccc(NS(=O)(=O)c2cccc3nsnc23)c1,CID3245691,,,,,0.0,,,,,,,,,,,,
CCOc1ccc(OCC)c(NS(=O)(=O)c2cccc3nsnc23)c1,CID3244471,,,,,0.0,,,,,,,,,,,,
CCOc1ccccc1NS(=O)(=O)c1cccc2nsnc12,CID4456434,,,,,,,,,,,0.0,,,,0.0,,
Cc1ccc(C)c(N(C)S(=O)(=O)c2cccc3nsnc23)c1,CID3242355,,0.0,,,,,,,,0.0,,,,,,0.0,
CC(=O)Nc1cccc(NS(=O)(=O)c2cccc3nsnc23)c1,CID3240653,0.0,,,,0.0,,,,,0.0,,,,,,0.0,
Cc1ccc(C)c(NS(=O)(=O)c2c(C)ccc3nsnc23)c1,CID577518,0.0,0.0,0.0,0.0,,,0.0,,,,0.0,,,,,0.0,
CCOC(=O)c1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1,CID3245129,0.0,,,,0.0,,,,,,,,,,,,
O=C(O)c1cccc(NS(=O)(=O)c2cccc3nsnc23)c1,CID702613,,,,,,,,,,,0.0,,,,,,
COc1cc(NS(=O)(=O)c2cccc3nsnc23)cc(OC)c1,CID4116017,,,,,,,,,,0.0,,,,,,,
COc1ccc(C(=O)O)cc1NS(=O)(=O)c1cccc2nsnc12,CID3238200,,,,,0.0,,,,,,,,,0.0,,,
COc1cc(NS(=O)(=O)c2cccc3nsnc23)c(C(=O)O)cc1OC,CID649668,,,,,0.0,,,,0.0,,,,,,,,
CCN(c1cccc(C)c1)S(=O)(=O)c1cccc2nsnc12,CID3236210,,,0.0,,,,0.0,,,0.0,0.0,,,,,,
Cc1cccc(NS(=O)(=O)c2cccc3nsnc23)c1,CID758956,,,,,,,,,,0.0,,0.0,,,,,
COc1ccccc1-n1c(-c2ccc(NS(C)(=O)=O)cc2)n[nH]c1=S,CID1173981,,,,,,,,,0.0,,0.0,,,0.0,,,
Cc1ccc(-c2n[nH]c(=S)n2-c2ccccc2)cc1,CID803041,,,,,,,,,,,0.0,,,,,,
S=c1[nH]nc(-c2cccc(Cl)c2)n1-c1ccccc1,CID692215,,,,,,0.0,,,,,,,,,,,
COc1ccc(-n2c(-c3cccc(C)c3[N+](=O)[O-])n[nH]c2=S)cc1,CID764378,,,,,,0.0,,,,,,0.0,,,,,
COc1ccccc1-c1n[nH]c(=S)n1-c1ccccc1,CID660816,0.0,0.0,,,0.0,0.0,0.0,,,,,,0.0,,,0.0,0.0
Cc1cccc(-c2n[nH]c(=S)n2-c2ccccc2)c1,CID767147,,,,,,0.0,,,,,,,,,,,
COc1ccc(OC)c(-n2c(-c3ccccc3)n[nH]c2=S)c1,CID891810,,,,,,,,,,,,,,,0.0,,
O=C(O)c1ccc(-n2c(-c3ccc(Br)cc3)n[nH]c2=S)cc1,CID1043837,,,,,,,,,,,0.0,,,,,,
COc1cccc(-n2c(-c3cccc(S(=O)(=O)N(C)C)c3)n[nH]c2=S)c1,CID2346385,,,,,,,,,,,,,,0.0,,,
CS(=O)(=O)Nc1ccc(-c2n[nH]c(=S)n2-c2ccccc2)cc1,CID2231273,,0.0,0.0,,0.0,,0.0,,0.0,0.0,0.0,,,0.0,,,
O=C(O)c1ccc(-n2c(-c3ccccc3)n[nH]c2=S)cc1,CID892523,0.0,0.0,,,0.0,,,,,,,,,,,0.0,
COC(=O)Cn1nc(-c2ccccc2)n(-c2ccccc2)c1=S,CID1517413,0.0,0.0,0.0,,0.0,,0.0,,,,,,,0.0,,0.0,0.0
COc1ccc(OC)c(-n2c(-c3cccc(O)c3)n[nH]c2=S)c1,CID892621,,0.0,0.0,,1.0,,,,,,,,,,,,
CCN(CC)c1ccc(-c2n[nH]c(=S)n2-c2ccccc2C)cc1,CID2463107,,,,,,,,,,,,,,,0.0,,
COc1ccc(OC)c(-n2c(-c3ccc(C)cc3)n[nH]c2=S)c1,CID2346399,,,,,,0.0,,,,,,,,0.0,,,
COc1cc(OC)cc(-c2n[nH]c(=S)n2-c2cc(OC)ccc2OC)c1,CID1025203,,,,,,,,,,,0.0,0.0,,,,,
CSc1ccccc1NC(=O)c1c(C)noc1C,CID1247116,,0.0,0.0,0.0,0.0,,0.0,,,0.0,,,0.0,,,,0.0
COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1c(C)noc1C,CID1244178,,,0.0,,,,0.0,,,,,0.0,,,,0.0,
Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1,CID3899,,,,0.0,,,,,,,,,,,,,0.0
Cc1noc(N)c1C(=O)Nc1ccc(F)cc1,CID1263621,,,,0.0,,,,0.0,,,,,,,,,
Cc1noc(C)c1C(=O)Nc1c(F)cc(F)cc1Br,CID1246606,0.0,,,,,,0.0,,,,,0.0,,,,,
CCOC(=O)c1cc(NC(=O)c2c(C)noc2C)cc(C(=O)OCC)c1,CID1246773,,,,,,,0.0,,,,,,,,0.0,,
Cc1noc(C)c1C(=O)Nc1ccc(Cl)cc1C(F)(F)F,CID1247481,,,,,,,,,,,,,,,,,0.0
Cc1noc(N)c1C(=O)Nc1ccc(F)c(Cl)c1,CID676147,,,,,,,0.0,,,,,,0.0,0.0,,0.0,
COC(=O)c1cccc(NC(=O)c2cnoc2C)c1,CID850521,,,,,,,,,0.0,0.0,0.0,,,,,,
Cc1ccc(NC(=O)c2c(C)noc2C)cc1,CID770336,,,,,,,,,,,,0.0,,,,,
Cc1noc(N)c1C(=O)Nc1ccccc1F,CID1263600,,,,,,0.0,,,0.0,,,0.0,,,,,
CCCCc1ccc(NC(=O)c2c(C)noc2C)cc1,CID2649164,,,,,0.0,,0.0,0.0,,,,0.0,,0.0,,0.0,0.0
COc1ccc(C(C)(C)C)cc1NC(=O)c1c(C)noc1C,CID1246663,0.0,,,,0.0,,,0.0,0.0,,0.0,,0.0,,,,0.0
CCOC(=O)c1noc(C)c1C(=O)Nc1cccc(F)c1,CID2774357,,,,,,,,,,,,,,,0.0,,
CCc1noc(N)c1C(=O)Nc1ccc(F)c(Cl)c1,CID715872,0.0,0.0,,0.0,,,,,,,,,,,,0.0,
Cc1noc(C)c1C(=O)Nc1ccc(F)c(F)c1,CID3851617,,,,,,,,,,,0.0,,,,,,
COCCN(CCOC)C(=O)c1sc2nc(-c3ccccc3)cn2c1C,CID3242900,0.0,,,,,,0.0,0.0,0.0,,0.0,,,,,0.0,
CC(=O)Nc1ccc(-c2cn3ccsc3n2)cc1,CID685797,,,0.0,,0.0,,,0.0,,,,,0.0,,,,0.0
CCCCC(=O)Nc1cccc(-c2cn3ccsc3n2)c1,CID3236945,,,,0.0,,,,,,,,,,,,,0.0
CNC(=O)c1sc2nc(-c3ccc(OC)cc3)cn2c1C,CID5158448,,0.0,,,,0.0,,,,0.0,,,,,,,
COc1ccc(-c2cn3c(C)c(C(=O)NC(C)C)sc3n2)cc1,CID3241505,,,,0.0,0.0,0.0,,0.0,,,0.0,,,,0.0,,
CC(C)CC(=O)Nc1ccc(-c2cn3ccsc3n2)cc1,CID852132,,,,0.0,,,,0.0,,,0.0,,,,,,
CCN(CC)CCCNC(=O)c1sc2nc(-c3ccc(F)cc3)cn2c1C,CID3236573,0.0,0.0,,,,,0.0,,,,0.0,,,,,,
COc1ccc(-c2cn3ccsc3n2)cc1,CID369507,,,,,0.0,,,,,,,,,0.0,0.0,,
CCC(=O)Nc1cccc(-c2cn3ccsc3n2)c1,CID752432,,0.0,,0.0,0.0,,,,,,0.0,,0.0,,,,0.0
CC(C)C(=O)Nc1cccc(-c2cn3ccsc3n2)c1,CID752437,,0.0,,,0.0,,,,,,,,,,,,0.0
CCCC(=O)Nc1cccc(-c2cn3ccsc3n2)c1,CID752439,,0.0,,0.0,0.0,,,0.0,,,,0.0,,,,,
CCN(CC)C(=O)c1sc2nc(-c3ccc(OC)cc3)cn2c1C,CID3238337,0.0,,0.0,,,,,,,,,0.0,,,,,
CC(C)CC(=O)Nc1cccc(-c2cn3ccsc3n2)c1,CID752440,,,0.0,0.0,,,,0.0,0.0,,0.0,,,,,,0.0
COCCNC(=O)c1sc2nc(-c3ccccc3)cn2c1C,CID3244317,,0.0,,,0.0,,0.0,,,,,,,,,0.0,0.0
CCN(CC)CCNC(=O)c1sc2nc(-c3ccccc3)cn2c1C,CID5310344,,,,,,,,,,,,,0.0,,,,
CC(C)(C)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1,CID2997889,,0.0,,,,0.0,,0.0,,,0.0,,,,,,
CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(C)cc2C)c1C,CID5308454,,,0.0,,,,,0.0,,,,,0.0,,,,
CCOC(=O)c1c(C)c(C(=O)Nc2cc(OC)ccc2OC)c(C)n1CC,CID3236703,,,,,,,,0.0,0.0,,0.0,0.0,0.0,,,,
CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(C)c(C)c2)c1C,CID5308270,,,,,,0.0,,0.0,,,,,,,,,
CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2)c(C)n1CC,CID3240928,,,,,0.0,,,,0.0,0.0,0.0,,,,,,
CCOC(=O)c1c(C)c(C(=O)Nc2ccc(F)cc2)c(C)n1C,CID4165375,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(Cl)cc2)c1C,CID5307811,0.0,0.0,,,,,,,,,0.0,,0.0,,,,
CCOC(=O)c1c(C)c(C(=O)Nc2cc(F)ccc2F)c(C)n1C,CID3240960,,,,0.0,,,,,,,0.0,,,,,,0.0
CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(C)c(Cl)c2)c1C,CID3239058,0.0,,,0.0,,,0.0,,,0.0,,,,,,0.0,0.0
CCCCN(C(=O)c1c(C)[nH]c(C(=O)OCC)c1C)c1ccccc1,CID3243958,0.0,,,,0.0,,,0.0,,,,,,,,,0.0
CCOC(=O)c1[nH]c(C)c(C(=O)Nc2cc(OC)ccc2OC)c1C,CID3240903,0.0,,,,0.0,,,,0.0,,,,,,,0.0,
CCOC(=O)c1[nH]c(C)c(C(=O)Nc2cc(Cl)ccc2C)c1C,CID3241579,0.0,,,,,,,,,,,,,,,0.0,0.0
CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccccc2C)c1C,CID5308957,0.0,,,0.0,,,,,0.0,,,,,,,,
CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(F)cc2)c1C,CID5308013,,,,,,,,0.0,,,,,,,,,
CCOC(=O)c1[nH]c(C)c(C(=O)Nc2cccc(Cl)c2C)c1C,CID3242254,0.0,0.0,,0.0,,,,,,,,,,,,,0.0
CCOC(=O)c1c(C)c(C(=O)Nc2ccc(N(C)C)cc2)c(C)n1CC,CID3237746,0.0,0.0,0.0,,0.0,0.0,,0.0,,,,,,,,,0.0
CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(C)c(F)c2)c1C,CID3238355,,,0.0,0.0,,,0.0,,,,,,,,,0.0,
O=C(O)CN1CCN(Cc2ccc(F)cc2Cl)C1=O,CID3240174,,0.0,,0.0,,,,,,0.0,,,,,,,
COc1cccc(CN2C(=O)N(C(C)C)C(N(O)C(=O)NC(C)C)C2(C)C)c1OC,CID3849479,,,,,,,,,,,,,,0.0,0.0,,
CNC(=O)N(O)C1N(C)C(=O)N(Cc2ccccc2)C1(C)C,CID666717,,0.0,,,,,,,0.0,,,,,,0.0,,
Cc1cccc(CN2CCNC2=O)c1,CID3236942,,,,,,,,0.0,,,,,,,,0.0,0.0
Cc1ccc(C)c(CN2CCNC2=O)c1,CID3245633,,,,,,,,0.0,,,0.0,,,,,0.0,
CC(C)OCCCNC(=O)CN1CCN(Cc2ccccc2Cl)C1=O,CID3239335,,0.0,,,,0.0,,,,,,,,,,0.0,0.0
Cc1cccc(CN2CCN(CC(=O)O)C2=O)c1,CID3245043,,,,0.0,,,,,,,,,,,,,
O=C(O)CN1CCN(Cc2ccccc2Cl)C1=O,CID3237557,,,0.0,,,,,,,,,,0.0,,,0.0,
O=C(O)CN1CCN(Cc2ccccc2)C1=O,CID3238717,,0.0,,,,,,,,,,,,,,,
COCCCNC(=O)CN1CCN(Cc2ccc(Cl)cc2)C1=O,CID9550616,,,,,,0.0,,,,,,,,,0.0,,
O=C1NCCN1Cc1ccccc1,CID231403,,,,,,,,,,0.0,,,,,,,
COCCNC(=O)CN1CCN(Cc2cccc(Cl)c2)C1=O,CID5308939,0.0,0.0,,,,,,,,,,0.0,,,,,
Cc1ccccc1CN1CCNC1=O,CID3241808,,,,0.0,,,0.0,,,,,0.0,,,,0.0,
CCOCCCNC(=O)CN1CCN(Cc2ccccc2C)C1=O,CID5309144,,0.0,,,,,,,,,0.0,,,,,,0.0
O=C1NCCN1Cc1ccccc1F,CID3244179,,,,,,,,0.0,0.0,,,,,,,,
O=C1NCCN1Cc1cccc(Cl)c1,CID3235606,0.0,0.0,,,,,,,,,,,,,,0.0,0.0
CCOC(=O)CCNc1n[nH]c(=O)[nH]c1=O,CID660014,,,,0.0,,,,,,,,,,,,,
CCCOC(=O)CCc1n[nH]c(=O)[nH]c1=O,CID650813,,,,,,,,0.0,,,,,,,,,
CCOCCOC(=O)CCSc1n[nH]c(=O)[nH]c1=O,CID1554807,,0.0,0.0,,,,,,,,,,,,,,
CCOCCOC(=O)C(C)Sc1n[nH]c(=O)[nH]c1=O,CID2788237,,,,,,,0.0,,,,,,,,,,
CCCCOC(=O)CCNc1n[nH]c(=O)[nH]c1=O,CID1555505,,,0.0,,,,,0.0,,,,,,,,,
CCCOC(=O)CCNc1n[nH]c(=O)[nH]c1=O,CID1555504,,,,0.0,,,,,,,,,,,,0.0,
CCCCOC(=O)C(C)Nc1n[nH]c(=O)[nH]c1=O,CID653702,,,,,,,,0.0,,,,,,,,,
COC(=O)CCc1n[nH]c(=O)[nH]c1=O,CID721793,,0.0,,,,,,0.0,,,,,,,,,
CCCOC(=O)Cc1n[nH]c(=O)[nH]c1=O,CID651230,,0.0,,,,,,,,,,,0.0,,,,
CCCCOC(=O)CCc1n[nH]c(=O)[nH]c1=O,CID1585566,,0.0,,,,,,,,,,,,,,,
CCSc1n[nH]c(=O)[nH]c1=O,CID277163,,,0.0,0.0,,,,,,,,,0.0,,,0.0,
CC(C)COC(=O)CCNc1n[nH]c(=O)[nH]c1=O,CID659916,,,,0.0,,,,,,,,,,,0.0,,
CCCCOC(=O)CSc1n[nH]c(=O)[nH]c1=O,CID1641418,,,,,,,,,,,,0.0,,,,,
CCCCCOC(=O)CSc1n[nH]c(=O)[nH]c1=O,CID1556011,,,,,,,,,,,,0.0,,,,,
CCOC(=O)CCc1n[nH]c(=O)[nH]c1=O,CID728578,,0.0,,,,,,0.0,,,,,,,,,
CCCCOC(=O)Cc1n[nH]c(=O)[nH]c1=O,CID2788138,,,0.0,,,,,0.0,,,,,,,,,
CCCCn1c(NC(C)=O)c(C#N)c2nc3ccccc3nc21,CID658861,,,,,,,,,,,,0.0,0.0,,,,
CCOC(=O)c1c(N)n(CCO)c2nc3ccccc3nc12,CID744901,,,,,,0.0,,,,,,,,,,,
CCCCOCCCn1c(N)c(C(=O)OC(C)COC)c2nc3ccccc3nc21,CID661540,,,,,,,,,,,,,,0.0,,,
COCCCn1c(N)c(C(=O)NCCC(C)C)c2nc3ccccc3nc21,CID663108,,,0.0,,,0.0,,,,,,,,,,,0.0
CCCCCn1c(N)c(C#N)c2nc3ccccc3nc21,CID2055363,,0.0,,0.0,,,,,,,0.0,,,,,,
C=CCn1c(N)c(C(=O)OCCC)c2nc3ccccc3nc21,CID664798,,,,,,,0.0,,,,,,0.0,,,,
CCCCOCCCn1c(N)c(C(=O)OCCOC)c2nc3ccccc3nc21,CID661174,,,0.0,,,,,,,,,,,,,,
C=CCn1c(N)c(C(=O)OCC(C)C)c2nc3ccccc3nc21,CID661924,,,,,,,,,,,,,0.0,,,,
COCCn1c(N)c(C#N)c2nc3ccccc3nc21,CID2427312,,,,,,,,,,,0.0,0.0,,,,,
CCCCC(CC)Cn1c(N)c(C#N)c2nc3ccccc3nc21,CID3000018,,,0.0,,,0.0,,,,,,,0.0,,,,
CCCCNC(=O)c1c(N)n(CCCOC)c2nc3ccccc3nc12,CID662864,,,,,,,,0.0,,,,,,,,,
COCCNC(=O)c1c(N)n(CCC(C)C)c2nc3ccccc3nc12,CID2031291,,,,,,0.0,,,,,,,,,,,
C=CCn1c(N)c(C(=O)OC(C)CC)c2nc3ccccc3nc21,CID664437,,,,,,,,,,,,,,0.0,,,
C=CCn1c(N)c(C(=O)OC(C)(C)C)c2nc3ccccc3nc21,CID661882,,0.0,,,,0.0,0.0,,,,,,,,,,0.0
CCCCn1c(NC(=O)CC)c(C#N)c2nc3ccccc3nc21,CID658816,,0.0,0.0,0.0,,,,,,,,0.0,,,,,
COCCCn1c(N)c(C(=O)OCCOC)c2nc3ccccc3nc21,CID660552,,,,,,,,0.0,,,,,,,,,
COc1ccc(CNC(=O)/C=C/c2cc([N+](=O)[O-])ccc2OC(F)F)cc1OC,CID2323670,,,,,,,,,,,,,,0.0,,,
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCc1ccccc1,CID692309,,,,,,,,,,,,,,0.0,0.0,,
O=C(/C=C/c1ccccc1[N+](=O)[O-])NCc1ccc(Cl)cc1,CID889595,,,,,,,,,,,,,,0.0,,,
CC(C)c1ccc(/C=C/C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1,CID1292085,,,,,,,,,,,,,,0.0,,,
CC(=O)Nc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1,CID2382424,,,,,,,,,,,,,,,0.0,,
NS(=O)(=O)c1ccc(CNC(=O)/C=C/c2ccccc2)cc1,CID884165,,,,,,0.0,,,,,,,,0.0,,,
Cc1ccc(CNC(=O)/C=C/c2ccccc2Cl)cc1,CID875553,,,,,,0.0,,,,,,,,,,,
COc1ccc(CNC(=O)/C=C/c2ccc(OCCCF)cc2)cc1OC,CID5820835,,,,,,,,,,,,0.0,,,,,
N#C/C(=C\c1ccc(O)c([N+](=O)[O-])c1)C(=O)NCc1ccccc1,CID2336213,,,,,,,,,,,,,,0.0,,,
O=C(/C=C/c1cccc(Cl)c1)NCc1ccccc1,CID2598217,,,,,,,,,,,,,,0.0,,,
O=C(/C=C/c1ccccc1[N+](=O)[O-])NCc1ccccc1Cl,CID2418253,,,,,,,,,,,,,,0.0,,,
NS(=O)(=O)c1ccc(CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1,CID1307982,,,,,,,,,,,,,,0.0,,,
N#C/C(=C/c1ccc(C(=O)O)cc1)C(=O)NCc1ccccc1,CID1917802,,,,,,,,,,,,,,0.0,0.0,,
CCOc1ccc(/C=C/C(=O)N(C)Cc2ccccc2)cc1OC,CID719553,,,,,,0.0,,,,,,,,,,,
O=C(/C=C/c1ccccc1Cl)NCc1ccccc1,CID5333112,,,,,,0.0,,,,,,,,,0.0,,
NS(=O)(=O)c1ccc(CNC(=O)/C=C/c2cccc(Cl)c2)cc1,CID1292494,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)cc1OC,CID5347739,,,,,,0.0,,,,,,,,,,,
Cc1ccc(CN2CCN(/N=C/c3cccc([N+](=O)[O-])c3)CC2)c(C)c1,CID1367889,,,,,,0.0,,,,,,,,,,,
Cc1ccccc1/C=N/N1CCN(Cc2ccccc2Cl)CC1,CID5347948,,,,,,0.0,,,,,,,,,,,
O=C(O)c1ccc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)cc1,CID5347529,,,,,,0.0,,,,,,,,,,,
CSc1ccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)cc1,CID1110801,,,,,,,,,,,,,,,0.0,,
COC(=O)c1ccc(/C=N/N2CCN(Cc3ccc(C)cc3)CC2)cc1,CID1361743,,,,,,0.0,,,,,,0.0,,,,,
CCOc1ccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)cc1OC,CID5347633,,,,,,0.0,,,,,,,,,,,
Cc1ccc(CN2CCN(/N=C/c3ccccc3OCC(=O)O)CC2)c(C)c1,CID1367907,,,,,,0.0,,,,,,,,,,,
C(=N/N1CCN(Cc2ccccc2)CC1)\c1ccccc1,CID726924,,,,,,0.0,,,,,,,,,,,
Cc1ccc(CN2CCN(/N=C/c3cccc(F)c3)CC2)cc1,CID5347896,,,,,,0.0,,,,,,,,,,,
COc1ccc(/C(C)=N\N2CCN(Cc3ccc(Cl)cc3)CC2)cc1OC,CID5343436,,,,,,0.0,,,,,,,,,,,
Cc1ccc(CN2CCN(/N=C/c3cc([N+](=O)[O-])ccc3Cl)CC2)cc1,CID5347969,,,,,,0.0,,,,,,,,,,,
COc1cccc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)c1,CID5347867,,,,,,0.0,,,,,,,,,,,
O=[N+]([O-])c1ccc(Cl)c(/C=N/N2CCN(Cc3ccccc3)CC2)c1,CID1542591,,,,,,,,,0.0,,,0.0,,,,,
CCCOc1ccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)cc1,CID5347655,,,,,,0.0,,,,,,,,,,,
CCCOc1ccc(/C=N/N2CCN(Cc3ccc(C)cc3)CC2)cc1,CID5347535,,,,,,0.0,,,,,,,,,,,
COc1ccccc1NC(=O)N1CCN(c2ccccc2F)CC1,CID803741,,,0.0,,,,,,,,,,0.0,,,,
Cc1ccc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1,CID869208,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1,CID1080841,0.0,,,,0.0,,,,,,,,,,,,
COc1cccc(NC(=O)N2CCN(c3cccc(C)c3C)CC2)c1,CID1294981,0.0,0.0,0.0,,,,,,,,,,,,0.0,,0.0
O=C(Nc1ccccc1)N1CCN(c2ccc(F)cc2)CC1,CID735748,,,,,,,,,,,,0.0,,,,,
CCOc1ccccc1N1CCN(C(=O)Nc2cccc(Cl)c2)CC1,CID1292193,,,,0.0,,,0.0,,,,0.0,,0.0,,0.0,0.0,0.0
COc1ccccc1N1CCN(C(=O)Nc2cccc(C)c2)CC1,CID736883,0.0,0.0,,,,,,,,,,,,,0.0,,0.0
CCOc1ccccc1N1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1,CID1296735,0.0,,0.0,,,,,,,,,,,,,0.0,0.0
COc1cccc(NC(=O)N2CCN(c3cccc(C)c3)C(C)C2)c1,CID3241623,,0.0,,,,,0.0,0.0,,,,,,,,,
COc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1,CID784869,,,,,,,,,,,,0.0,,,,,
COc1ccccc1N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1,CID2922917,,,,,,,,,,,,,,,0.0,,
CC(=O)c1ccc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1,CID1294876,,0.0,,,,,0.0,,,,,,0.0,,,,
COc1ccccc1NC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1,CID1070816,,,,,0.0,,,,,,,,,,,,0.0
CN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccccc3Cl)CC2)cc1,CID1485493,,,,,,,,,,,,0.0,,,,,
CN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccccc3)CC2)cc1,CID1485496,,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccccc1CC[N+](=O)[O-])N1CCN(c2ccccc2)CC1,CID1488368,,,,,,,,,,,,,,0.0,,,
COc1cccc(-n2c(C)nnc2SCC#N)c1,CID651559,,0.0,,0.0,,,,,,,,,,,,,0.0
CCSCCNC(=O)c1cc(-n2cnnc2)ccc1Cl,CID1817842,0.0,,,0.0,0.0,,,,,,0.0,,,,,,0.0
CC(C)NC(=O)CSc1nncn1-c1ccccc1,CID2572923,,0.0,,,,,0.0,0.0,,0.0,0.0,,0.0,,,0.0,
CC(C)NC(=O)c1cc(-n2cnnc2)ccc1Cl,CID834461,,,,,,,,,,,0.0,,,,,,
C=CCSc1nnc(C)n1-c1ccc(Cl)cc1,CID1783163,0.0,,,,0.0,,,,,0.0,,,,,,,0.0
COC(=O)CSc1nnc(C)n1-c1cccc(OC)c1,CID1451140,,,,,,,,,,0.0,,0.0,,,,,
COC(=O)CSc1nnc(C)n1-c1cccc(C#N)c1,CID647506,,,,0.0,,,,,,0.0,,,,,,0.0,
COc1ccccc1-n1c(C)nnc1SCC(N)=O,CID656337,,0.0,,0.0,,,,,,,0.0,0.0,0.0,,,,
C=CCSc1nnc(CC(OC)OC)n1-c1ccccc1,CID2768535,,,,,,,,,,,,,,,0.0,,
Cc1nnc(SC(C)C#N)n1-c1ccccc1,CID16196670,,,,,,,,,,,,,,0.0,,,
CCSc1nnc(C)n1-c1ccc(C(=O)O)cc1,CID660449,,0.0,,,,,,0.0,,,,0.0,,,0.0,,
COC(Cc1nnc(SC)n1-c1ccccc1)OC,CID1473592,,,,,,,,,,,,0.0,,,,,
COC(Cc1nnc(SC)n1-c1ccc(Cl)cc1)OC,CID1473587,,,,,,,,,,,,,,,0.0,,
COc1ccc(-n2cnnc2SCCC#N)cc1,CID2524581,,0.0,,,,,0.0,,,0.0,0.0,,0.0,,,,0.0
COC(=O)CSc1nnc(C)n1-c1ccc(C)cc1,CID2193613,,,,,,,,,,,0.0,,,,,,
CC(C)(C)NC(=O)CSc1nncn1-c1ccccc1,CID2572931,,,,,,,0.0,,,0.0,,,,,,0.0,0.0
CCCCNC(=O)Cn1cnc2c(cnn2-c2ccc(C)c(C)c2)c1=O,CID647225,0.0,0.0,,0.0,,,,,,,,,,0.0,,,
CCCn1cnc2c(cnn2-c2ccc(F)cc2)c1=O,CID3235739,,0.0,,,,,,,,,,,,,,,
CN(C)C(=O)Cn1cnc2c(cnn2-c2ccccc2Cl)c1=O,CID648379,0.0,0.0,,,,,,,,,,,,,,,
CCCCn1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O,CID3241247,0.0,0.0,,,,,,,,,,,0.0,,,,0.0
Cc1ccc(-n2ncc3c(=O)n(CC#N)cnc32)cc1C,CID3241868,,0.0,,0.0,,,,0.0,,,,0.0,,,,,
COC(=O)C(C)n1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O,CID3236332,0.0,0.0,,0.0,,,,,,,,,,,0.0,,
Cc1ccc(-n2ncc3c(=O)n(CC#N)cnc32)cc1,CID652937,,0.0,,0.0,,0.0,,0.0,,,0.0,,,,,,
CCn1cnc2c(cnn2-c2ccccc2)c1=O,CID919611,,,,,,,,,,,,0.0,,,0.0,,
CCOC(=O)C(CC)n1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O,CID3241216,0.0,0.0,,,,0.0,,,,,,,,0.0,,,
CC(C)N(C(=O)Cn1cnc2c(cnn2-c2ccccc2Cl)c1=O)C(C)C,CID654322,0.0,,,,,,0.0,,,,,,0.0,,,,
CCC(C(=O)OC)n1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O,CID3240514,0.0,0.0,,,,,0.0,,,,0.0,,,,,,
C#CCn1cnc2c(cnn2-c2ccc(C)c(C)c2)c1=O,CID3236296,,,,,,0.0,,0.0,,,,0.0,,,,,
CC(C)CCn1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O,CID3240673,0.0,0.0,0.0,0.0,,,,,,,,,,,,,
CC(C)CCn1cnc2c(cnn2-c2ccc(F)cc2)c1=O,CID3238117,,0.0,,,,,,0.0,,,,0.0,,,,,
CCOC(=O)Cn1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O,CID3240123,0.0,0.0,0.0,,,,,,,,,,,,,0.0,
CCOC(=O)C(C)n1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O,CID3239526,0.0,0.0,,0.0,,,,,0.0,,,,0.0,,,,
CC(C)Oc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCN(C)C)cc1,CID662150,0.0,,,,,,0.0,0.0,,0.0,,,,,,,0.0
COCCCN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1ccc(Br)cc1,CID661728,0.0,,,,,,0.0,,0.0,,,,,,0.0,,
COCCCN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1cccc(Br)c1,CID2918354,0.0,,,,,,,,0.0,,,,,,,0.0,0.0
COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)C1c1cccc(Br)c1,CID2919306,0.0,,,,,,0.0,,,,,,,,,0.0,0.0
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1ccccc1F,CID2909905,,,0.0,,,,0.0,,,,,,,,0.0,,
CCCOc1cccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCN(CC)CC)c1,CID662087,,,0.0,,,,,,,0.0,,0.0,0.0,,,0.0,
C=CCOc1cccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCN(CC)CC)c1,CID662081,,,0.0,,,,,0.0,,,,0.0,0.0,0.0,,,0.0
C=CCOc1cccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCN(C)C)c1,CID653569,,,0.0,,,,,0.0,0.0,,,,,,,,
CCCOc1cccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCCN(C)C)c1,CID662132,,0.0,0.0,,,,,0.0,,0.0,,,,,,,0.0
CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1ccc(OC(C)C)cc1,CID662093,,,,,,,,,,0.0,,0.0,,,,,
COCc1cc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCOCCO)ccc1O,CID662399,,,,,0.0,,,,,,,,,,,,
CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1cc(OC)ccc1OC,CID662208,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCCN(CC)CC)cc1,CID661640,,,0.0,,,,0.0,,,,,,,,,,
COCCCN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1ccccc1,CID2999882,,,,,,,0.0,0.0,,,,,,,,0.0,
C=CCOc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCN(CC)CC)cc1,CID662148,,,0.0,,,,,0.0,,,,0.0,,,,0.0,
COc1cccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCCN(C)C)c1,CID2919053,,,0.0,,,,,,0.0,,,0.0,,,,,
Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(C)CC2)cc1,CID801369,,0.0,0.0,0.0,,,,0.0,0.0,,0.0,,,,,0.0,0.0
COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCC(C)CC2)cc1Cl,CID2229995,0.0,0.0,,0.0,0.0,,,,,,,,0.0,,,,
CCC(C)C(NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)NC(C(=O)O)C(C)C)CC1,CID663655,,,,,0.0,,,,,,,,,,,,
CN(CC(=O)N1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1,CID804119,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)NCC(=O)N2CCCCC2)cc1,CID751041,,0.0,,0.0,,,0.0,,,,0.0,,,,,0.0,
COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCC(C(N)=O)CC2)cc1,CID982331,,,,,,,,0.0,,,,,0.0,,,,
CCOC(=O)C1CCN(C(=O)CN(C)S(=O)(=O)c2cc(C)ccc2OC)CC1,CID2971665,,,,0.0,,,,,,,,,,,0.0,,
COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCCCC2)cc1Cl,CID1259940,,,,0.0,0.0,,,,,0.0,,,,,,,0.0
Cc1ccc(S(=O)(=O)NC(C(=O)N2CCC(C(=O)NCC(=O)O)CC2)C(C)C)cc1,CID664283,,,,,0.0,,,0.0,0.0,,,,0.0,,,,
CCC(C)C(NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)NC(C)C(=O)O)CC1,CID663943,,,,,0.0,,0.0,,0.0,,,,0.0,,,,
COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N1CCCCC1,CID974006,,,,,,,,,0.0,,,,,,,,
CCC(C)C(NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)NCC(=O)O)CC1,CID664144,,,0.0,,0.0,,,,0.0,,,,0.0,,,,
Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N2CCCCC2)c(C)c1,CID969832,,,,0.0,,,0.0,0.0,0.0,,,0.0,,,,,0.0
COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCC(C(N)=O)CC2)cc1Cl,CID667313,,,,0.0,,,,,,,,,0.0,,,0.0,
CCC(C)C(NC(=O)C1CCN(C(=O)C(NS(=O)(=O)c2ccc(C)cc2)C(C)C)CC1)C(=O)O,CID664628,,,0.0,,0.0,,,,,,,,,,,,
COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N1CCC(C)CC1,CID1095808,,,,,,,,,0.0,,,,,,,,
O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1,CID834922,,,,,,,,,,0.0,,0.0,,,,,
O=C(NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1F,CID834928,,,,,,,,,,,,,,,0.0,,
CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(Cl)c(C(=O)O)c2)c1,CID1328504,,,,,,,,,,,,0.0,,,,,
CCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccccc2C)c1,CID801962,,,,,,,,,,,,,,0.0,,,
CCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccccc2)c1,CID881552,,,,,,,,,,,,,,0.0,,,
COc1cc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2C)cc(OC)c1OC,CID2897471,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccccc1NC(=S)NC(=O)c1ccccc1,CID881269,,,,,,,,,,,,,,,0.0,,
COc1cc(C(=O)NC(=S)Nc2ccccc2[N+](=O)[O-])cc(OC)c1OC,CID2896473,,,,,,,,,,,,,,0.0,,,
CC(C)C(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(Cl)cc2)c1,CID1319569,,,,,,,,,,,,0.0,,,,,
COc1ccc(C(=O)NC(=S)Nc2ccccc2[N+](=O)[O-])cc1OC,CID2896754,,,,,,,,,,,,,,0.0,0.0,,
CCOc1ccc(NC(=S)NC(=O)c2ccc(OC)cc2)c([N+](=O)[O-])c1,CID2853849,,,,,,0.0,,,,,,,,,,,
CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(Cl)c(C(=O)O)c2)c1,CID1846652,,,,,,,,,,,,,,,0.0,,
Cc1ccccc1C(=O)NC(=S)Nc1cccc(NC(=O)C(C)C)c1,CID1319544,,,,,,,,,,,,,,0.0,,,
CCC(=O)Nc1cccc(NC(=S)NC(=O)c2cccc(C)c2)c1,CID834938,,,,,,,,,,,,,,0.0,,,
CC(=O)c1cccc(NC(=S)NC(=O)c2ccccc2C)c1,CID801995,,,,,,,,,,,,,,0.0,,,
COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc(Cl)c(C(=O)O)c2)c1,CID1328539,,,,,,,,,,,,0.0,,,,,
CCCCN(CCCC)CCn1cnc2c([nH]c3ccc(OC)cc32)c1=O,CID5308397,,,,,,,,,,0.0,,,,,0.0,,
CCOC(=O)C(C)Sc1nc2c([nH]c3ccccc32)c(=O)n1C,CID3238515,,0.0,,,,,0.0,,,,,,,,,,
CCSc1nc2c([nH]c3ccccc32)c(=O)n1C,CID2155956,,,,,,,,,,,,,0.0,,,,
CCCCOCCCn1cnc2c([nH]c3cc(OC)ccc32)c1=O,CID665369,,,,,,,,,,,,0.0,,,,,
CCCCn1cnc2c([nH]c3cc(OC)ccc32)c1=O,CID1969155,,,,,,,,,,0.0,,,,,,,
CCN(CC)CCn1cnc2c([nH]c3cccc(OC)c32)c1=O,CID664500,,,,0.0,,,0.0,,,,,,,,,,
COc1ccc2c(c1)[nH]c1c(=O)n(CCN(C)C)cnc12,CID666130,,,,,,,,,0.0,,,,0.0,,,,
CC(C)CCn1cnc2c([nH]c3cccc(Cl)c32)c1=O,CID665506,0.0,0.0,,0.0,,0.0,0.0,,,0.0,,,,,,,0.0
CCC(C)Sc1nc2c([nH]c3ccccc32)c(=O)n1C,CID3254362,,,,,,,,,,0.0,,,0.0,,,,
CCOCCCn1cnc2c([nH]c3cc(OC)ccc32)c1=O,CID662745,,,,,,0.0,,,0.0,,,,,,,,
COc1ccc2c(c1)c1nc(SCC(C)C)n(CCO)c(=O)c1n2C,CID5308610,,0.0,,,,,0.0,,,,0.0,,,,,,
CCOC(=O)CSc1nc2c([nH]c3ccccc32)c(=O)n1C,CID756773,,0.0,,,,,,,,,,,,,,0.0,
COc1cc2[nH]c3c(=O)n(CCN(C(C)C)C(C)C)cnc3c2cc1OC,CID661884,,,0.0,0.0,,0.0,,0.0,,,,,0.0,,,,
COC(=O)C(C)Sc1nc2c([nH]c3ccccc32)c(=O)n1C,CID3239452,,,,,,,,,,0.0,,,,,,0.0,
CCCCn1cnc2c([nH]c3ccccc32)c1=O,CID2026791,,,,,,,,,,0.0,,,,,,,
COc1cccc2[nH]c3c(=O)n(CCN(C)C)cnc3c12,CID664167,,0.0,,0.0,,0.0,,,,,,,0.0,,,,
CCCCOc1ccc(-c2nnc(-c3ccco3)o2)cc1,CID655323,0.0,,,,,0.0,0.0,,0.0,,,,,0.0,,0.0,
O=C(O)CCC(=O)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1,CID738066,,,,,,,,,,,,0.0,,,,,0.0
Brc1ccc(-c2nnc(-c3ccccc3)o2)o1,CID676107,,,,,,,,,0.0,,,0.0,,,,,
COc1ccc(-c2nnc(-c3ccc(Br)o3)o2)cc1OC,CID1219876,0.0,,,,,,,,0.0,,,0.0,,,,,0.0
Fc1ccc(-c2nnc(-c3ccco3)o2)cc1,CID698891,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-c2nnc(-c3ccc(Br)cc3)o2)o1,CID647736,0.0,,,,,,,,,,0.0,0.0,,,0.0,0.0,0.0
CC(C)COc1ccc(-c2nnc(-c3ccco3)o2)cc1,CID652981,0.0,,,,,,0.0,,0.0,,,,0.0,0.0,,,
COc1cccc(-c2nnc(-c3ccc(C)o3)o2)c1,CID856539,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(-c2nnc(-c3ccco3)o2)cc1OCC,CID648294,,,,0.0,,,0.0,,0.0,,,,,,,,
CCCOc1ccc(-c2nnc(-c3ccco3)o2)cc1,CID649099,0.0,,,,,0.0,0.0,0.0,,0.0,,0.0,0.0,0.0,,,
Brc1ccc(-c2nnc(-c3ccco3)o2)cc1,CID1362916,0.0,,,,,,0.0,,0.0,,0.0,,,,,0.0,0.0
Clc1ccc(-c2nnc(-c3ccco3)o2)cc1,CID707391,,,,0.0,,,,,,0.0,,,,0.0,,0.0,
CCOc1ccc(-c2nnc(-c3ccco3)o2)cc1,CID692974,0.0,,,,,,,,,,,,,0.0,,,
c1ccc(-c2nnc(-c3ccco3)o2)cc1,CID84193,0.0,,,,,,,,,,,,,,,0.0,
COc1ccc(OC)c(-c2nnc(-c3ccc(C)o3)o2)c1,CID644574,0.0,,0.0,,,,,,,,,,0.0,,,,
CCOc1cc(-c2nnc(-c3ccco3)o2)cc(OCC)c1OCC,CID687460,0.0,,,,,,0.0,,,,,,,,,,
COCCNC(=O)c1ccccc1NC(=O)C1COc2ccccc2O1,CID649288,,,,,,,0.0,,0.0,,0.0,,,,,,0.0
COC(=O)c1ccc(C)c(NC(=O)C2COc3ccccc3O2)c1,CID2914055,,,,,,,0.0,,,,,,,,,0.0,
CCCNC(=O)c1ccccc1NC(=O)C1COc2ccccc2O1,CID2957115,,,,,,,,,0.0,,0.0,,,0.0,,,
COC(=O)c1cc(NC(=O)C2COc3ccccc3O2)cc(C(=O)OC)c1,CID2998842,,,0.0,0.0,,,0.0,0.0,,,,,0.0,,,,
CC(C)(C)NC(=O)c1ccc(NC(=O)C2COc3ccccc3O2)cc1,CID649860,,,,,,,,,0.0,,,,,,,,
COC(=O)c1ccccc1NC(=O)C1COc2ccccc2O1,CID659854,,,,,,,0.0,,,0.0,,,,,,,0.0
CCOc1ccc(OCC)c(NC(=O)C2COc3ccccc3O2)c1,CID3153090,,,,,,0.0,,,,,,,,,,,
COC(=O)c1cccc(NC(=O)C2COc3ccccc3O2)c1C,CID2955340,,0.0,0.0,,,,,,,,,,,,,0.0,
CN(C)S(=O)(=O)c1ccc(NC(=O)C2COc3ccccc3O2)cc1,CID5309313,,,,,,,,,,,,,,,0.0,0.0,
COC(=O)c1cccc(NC(=O)C2COc3ccccc3O2)c1,CID2788373,,,0.0,,,,,,,0.0,,,,,,0.0,
CCOC(=O)c1ccccc1NC(=O)C1COc2ccccc2O1,CID2788375,,0.0,,,,,0.0,0.0,,,,,,0.0,0.0,0.0,
CCN(CC)S(=O)(=O)c1ccc(NC(=O)C2COc3ccccc3O2)cc1,CID2998961,,,,0.0,,,,0.0,,0.0,,,,0.0,,,
COC(=O)c1cc(NC(=O)C2COc3ccccc3O2)ccc1Cl,CID2957027,,,,0.0,,,,,,0.0,,,,,,,0.0
COc1cc(NC(=O)C2COc3ccccc3O2)c(OC)cc1Cl,CID645791,,0.0,,0.0,,,,,,,,,0.0,,,0.0,
COc1ccc(OC)c(NC(=O)C2COc3ccccc3O2)c1,CID2788336,,,,,,,,,,,,,,,,0.0,
CC(C)NC(=O)c1ccccc1NC(=O)C1COc2ccccc2O1,CID2928265,,,,,,,,,0.0,,0.0,0.0,,,,,
CCOc1ccccc1NC(=O)CSc1nc2c(c(=O)n1C)SC(C)C2,CID4649845,0.0,,,0.0,0.0,,,,,,,,,,,,
Cc1cc(C)cc(NC(=O)CSc2nc3c(c(=O)n2C)SC(C)C3)c1,CID5167013,0.0,,0.0,0.0,,,,,0.0,,,,,,,,
CCn1c(SCC(=O)Nc2cccc(C)c2)nc2c(c1=O)SC(C)C2,CID3687615,0.0,0.0,,,0.0,,,,,,,,,,,,
CCn1c(SCC(=O)Nc2cc(C)ccc2C)nc2c(c1=O)SC(C)C2,CID4287548,0.0,0.0,,,0.0,,,,,,,,,,,,
CCOC(=O)c1ccc(NC(=O)CSc2nc3c(c(=O)n2C)SC(C)C3)cc1,CID4390807,,,,,0.0,0.0,,,,,,,,,,,0.0
CC1Cc2nc(SCC(=O)Nc3ccc(F)cc3F)n(C)c(=O)c2S1,CID3242574,,,,,0.0,,,,,,0.0,,0.0,,,,0.0
Cc1cc(C)c(NC(=O)CSc2nc3c(c(=O)n2C)SC(C)C3)c(C)c1,CID3432756,0.0,0.0,,,0.0,,,,,,,,,,,,
COCCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nc2c(c1=O)SC(C)C2,CID4096501,,,0.0,,,,,,,,,,,,,,
CC1Cc2nc(SCC(=O)Nc3ccccc3F)n(C)c(=O)c2S1,CID3241544,,,0.0,,0.0,,,,,,,0.0,0.0,,,,
CCn1c(SCC(=O)Nc2ccccc2F)nc2c(c1=O)SC(C)C2,CID3236056,0.0,,,,0.0,,,,,,,,,,,,
CCOc1ccc(NC(=O)CSc2nc3c(c(=O)n2C)SC(C)C3)cc1,CID4338967,0.0,,,0.0,0.0,,,,,,,,,,,,
CCn1c(SCC(=O)Nc2cccc(F)c2)nc2c(c1=O)SC(C)C2,CID4651264,,,,,0.0,,,,,,,,,,,,
CCOC(=O)c1ccc(NC(=O)CSc2nc3c(c(=O)n2CC)SC(C)C3)cc1,CID3373842,,,,,0.0,,,,,,,,,,,,
CC1Cc2nc(SCC(=O)Nc3ccc(F)cc3)n(C)c(=O)c2S1,CID3239552,0.0,,0.0,,0.0,,,,,0.0,,,,0.0,,0.0,
Cc1ccc(C)c(NC(=O)CSc2nc3c(c(=O)n2C)SC(C)C3)c1,CID5051072,0.0,,0.0,,0.0,,,,,,,,0.0,,,,
COc1cccc(NC(=O)CSc2nc3c(c(=O)n2C)SC(C)C3)c1,CID4190893,0.0,0.0,,,0.0,,,,,,,,0.0,,,0.0,
COc1cccc(NC(=O)c2ccncc2)c1,CID762744,,,,,,,,,,,,0.0,,0.0,,0.0,
O=C(Nc1ccc(Cl)cc1)c1ccncc1,CID571578,,,,,,,,,,0.0,,0.0,,,,0.0,0.0
O=C(Nc1ccccc1F)c1ccncc1,CID719350,,,,0.0,,,0.0,,,0.0,,,,,0.0,,
CSc1ccccc1NC(=O)c1ccncc1,CID1244343,,,,0.0,0.0,,0.0,,,,,,,,0.0,,0.0
CCc1ccc(NC(=O)c2ccnc(C(C)(C)C)c2)cc1,CID826931,,,,,,,,,,,,0.0,,,,,
O=C(Nc1cccc(Cl)c1)c1ccncc1,CID719348,0.0,0.0,0.0,,,,0.0,,,0.0,,,,0.0,,0.0,0.0
O=C(Nc1ccccc1)c1ccncc1,CID220840,,,,,,,,,0.0,0.0,,0.0,,,,,
CC(=O)c1cccc(NC(=O)c2ccncc2)c1,CID845536,,,,0.0,,,,0.0,,,,,,,,,
CCOc1ccc(NC(=O)c2ccncc2)cc1,CID719324,,0.0,,,,,0.0,,,,,0.0,,,,0.0,0.0
Cc1ccc(NC(=O)c2ccncc2)cc1[N+](=O)[O-],CID790409,,,,,,,,,,,,,,0.0,,,
COc1cc(N)cc(NC(=O)c2ccncc2)c1,CID655010,,,,,,,,0.0,,,,0.0,0.0,,0.0,,
O=C(Nc1ccc(Br)cc1F)c1ccncc1,CID823913,,,,,,,,,,,,,,,0.0,0.0,0.0
CCN(C(=O)c1ccnc(C(C)(C)C)c1)c1ccccc1,CID826927,0.0,,,,0.0,,0.0,0.0,,,,,0.0,,,,
CC(C)(C)c1cc(C(=O)Nc2ccccc2)ccn1,CID826924,,,,,,,,,,0.0,0.0,,,0.0,,,
Cc1ccc(NC(=O)c2ccnc(C(C)(C)C)c2)cc1,CID826925,,,,,,,,,,0.0,,,,,,,
CC(C)Oc1ccc(NC(=O)c2ccncc2)cc1,CID731089,,0.0,,0.0,0.0,,,,0.0,,,,0.0,,,0.0,
COC(=O)CSc1nc(NCC(C)C)nc(N2CCOCC2)n1,CID1251508,,0.0,,0.0,,,,0.0,,,,0.0,,,,,
CCNc1nc(SC(C)C(=O)OC)nc(N2CCOCC2)n1,CID644949,,,0.0,,,,,,,,0.0,,,,,,0.0
COc1nc(OC/C(N)=N/O)nc(N2CCOCC2)n1,CID9595213,,,,0.0,,,,,,,,,,,,0.0,
CNc1nc(OC)nc(N2CCOCC2)n1,CID976569,,0.0,,0.0,,,,0.0,0.0,,,,,,0.0,,
CC(C)(C)Nc1nc(C(N)=O)nc(N2CCOCC2)n1,CID665366,,,,0.0,,,,,,,,,,,,,
COC(=O)CSc1nc(NC(C)C)nc(N2CCOCC2)n1,CID935078,,0.0,,,,,,,,,,,,,,,0.0
C=CCNc1nc(NCC)nc(N2CCOCC2)n1,CID2295099,,,,,,,,,0.0,,,0.0,,,0.0,,
CCOC(=O)CNc1nc(OCC#N)nc(N2CCOCC2)n1,CID3237040,,0.0,,,,,,,,,,,,,,,
CC(=O)NCCOc1nc(N(C)C)nc(N2CCOCC2)n1,CID2033517,0.0,0.0,,,,,0.0,,,,,,,,,,
CCOC(=O)CNC(=O)CSc1nc(N(C)C)nc(N2CCOCC2)n1,CID2242390,,,,0.0,,,,,,,,,,,,,
CSc1nc(NCC(C)C)nc(N2CCOCC2)n1,CID935626,,,,,,,,,,,,,0.0,,,,
CSc1nc(NC(C)C)nc(N2CCOCC2)n1,CID898987,,0.0,,0.0,,,,0.0,,0.0,,,0.0,,,,
COc1nc(N)nc(N2CCOCC2)n1,CID709353,,0.0,,0.0,,,,,,,,,,,,0.0,
CSc1nc(NC(C)(C)C)nc(N2CCOCC2)n1,CID977239,,0.0,,,,,,,,,,,0.0,,,,
CC(C)Nc1nc(SCC(N)=O)nc(N2CCOCC2)n1,CID898986,,,,,,,,,,0.0,,,,,0.0,,
CCNc1nc(C(=O)O)nc(N2CCOCC2)n1,CID1088145,,,,,,,,,,,,,,0.0,,,
CC(C)CCNC(=O)CCCn1c(=O)[nH]c2ccc(Br)cc2c1=O,CID3244789,,,,,,,,,,,,,,,0.0,0.0,0.0
COCCn1c(=O)[nH]c2cc(C(=O)NC(C)C)ccc2c1=O,CID3244538,,0.0,,,,,,,,,,0.0,,0.0,,,
CCCCCn1c(=O)[nH]c2cc(C(=O)NCCCN(CC)CC)ccc2c1=O,CID3238303,,,,,,,,,0.0,,,0.0,,,,,
CCCCN(CC)CCNC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C,CID3243176,,,,,,,,,,,,,0.0,,,,
CCCCNC(=O)CCCCCn1c(=O)[nH]c2cc(OC)c(OC)cc2c1=O,CID3237207,,,,,,0.0,,,,,,,0.0,,,,
CN(CCC#N)S(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C,CID3235758,,0.0,,,,,0.0,,,,,,0.0,,,,
CCCCNC(=O)CCCn1c(=O)[nH]c2ccc(Br)cc2c1=O,CID3245440,,,,,,,,,,,,,,,,0.0,
CCC(C)NC(=O)CCCCCn1c(=O)[nH]c2cc(OC)c(OC)cc2c1=O,CID3241973,,,,,,0.0,,,,,,,,,,,
COCCn1c(=O)[nH]c2cc(C(=O)OC)ccc2c1=O,CID3242692,,,,,,,,,,,,,0.0,,,0.0,
CCCCN(C)C(=O)CCCCn1c(=O)[nH]c2cc(OCC)c(OCC)cc2c1=O,CID3243769,,,0.0,0.0,,,,,,,,,,,0.0,,
CCCCCn1c(=O)[nH]c2cc(C(=O)O)ccc2c1=O,CID3241204,,,0.0,,,,,,,0.0,,,,,,,
COc1cc2[nH]c(=O)n(CCC(=O)NCCC(C)C)c(=O)c2cc1OC,CID9551460,,,,,,,,,,,,,,,0.0,,
CCCCCNC(=O)c1ccc2c(=O)n(CCOC)c(=O)[nH]c2c1,CID9551469,,,,,,,,,,0.0,,,,,,,
O=C(O)CCn1c(=O)[nH]c2ccccc2c1=O,CID3385813,,,,0.0,,,,,,,,,0.0,,,,0.0
CCOc1cc2[nH]c(=O)n(CCCC(=O)O)c(=O)c2cc1OCC,CID3245098,,0.0,,,,,,,,,,,,,,,
CCn1c(=O)[nH]c2ccccc2c1=O,CID747439,,,,,,,,,,0.0,,,,,,,
COc1ccc(Cl)cc1NC(=O)c1oc(C)nc1C,CID3238843,0.0,0.0,,0.0,,,,,,0.0,,,,,,0.0,
Cc1nc(C)c(C(=O)Nc2ccc(C)c(F)c2)o1,CID3239376,,0.0,,0.0,,,,,,,,,,,,,
COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ocnc2C)c1,CID3242437,,,,,,,,,,,,,0.0,,,,
COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2oc(C)nc2C)c1,CID3236016,,,0.0,,,,,,,,0.0,,,,,,
Cc1ncoc1C(=O)Nc1cccc(Cl)c1,CID3239435,0.0,0.0,0.0,0.0,,,0.0,,,,,,,,,0.0,0.0
COc1ccc(NC(=O)c2ocnc2C)cc1OC,CID3238735,,,0.0,,,,,,0.0,,0.0,,,,,0.0,0.0
Cc1ccc(NC(=O)c2ocnc2C)cc1Cl,CID3236554,,,,,,,,,,0.0,,,,,,0.0,0.0
Cc1nc(C)c(C(=O)Nc2cccc(C)c2C)o1,CID5307726,,,,,,,,0.0,,,,,,,,,
CCCCOC(=O)c1ccc(NC(=O)c2ocnc2C)cc1,CID3240346,,,,,,0.0,,,0.0,,,,0.0,,,0.0,0.0
Cc1ncoc1C(=O)Nc1cccc(Cl)c1C,CID3245786,,0.0,,,,,,0.0,,,,,0.0,,,0.0,
Cc1ncoc1C(=O)Nc1ccccc1C(N)=O,CID3242953,,0.0,,0.0,,,,,,,,0.0,,,,,
Cc1ccc(Cl)cc1NC(=O)c1ocnc1C,CID3244280,,,,,,,,0.0,,,,,,,,0.0,0.0
Cc1nc(C)c(C(=O)Nc2cccc(Cl)c2)o1,CID3241545,0.0,,,,,,,,,,,,,,,0.0,0.0
Cc1ccccc1NC(=O)c1ocnc1C,CID5307543,,,,,,,,,,,,,,,,0.0,
COc1ccc(Cl)cc1NC(=O)c1ocnc1C,CID3235898,,0.0,0.0,,,0.0,,,,1.0,,,0.0,,0.0,0.0,
CC(=O)c1cccc(NC(=O)c2oc(C)nc2C)c1,CID3240995,,,,0.0,,0.0,,,,0.0,,,,,,,
CN1CCN(Cc2nc3c([nH]2)c(=O)[nH]c(=O)n3C)CC1,CID667067,,0.0,,,,,,,,,,,,,,0.0,
CCCCn1c(CN2CCN(C(=O)OCC)CC2)nc2c1c(=O)n(C)c(=O)n2C,CID666088,,0.0,,,,,,0.0,,0.0,,,,0.0,,,
CCCCCCn1c(CN2CCN(C(=O)OCC)CC2)nc2c1c(=O)n(C)c(=O)n2C,CID666054,0.0,,0.0,,,,,,,,0.0,,,,,,
CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2C(C)C(C)=O)CC1,CID654988,,0.0,,,,,,,,,,,,,,,
CCCCCn1c(CN2CCN(C(=O)OCC)CC2)nc2c1c(=O)[nH]c(=O)n2C,CID3241703,,0.0,,0.0,,,,,,,,0.0,,,,,0.0
CCOCCn1c(CN2CCN(CCO)CC2)nc2c1c(=O)n(C)c(=O)n2C,CID4230969,,,,0.0,,,,,,,,,,,,,
CC(C)n1c(CN2CCN(C)CC2)nc2c1c(=O)n(C)c(=O)n2C,CID646790,,0.0,0.0,,,,,,,,,,,,,,
CCCCCn1c(CN2CCN(CCO)CC2)nc2c1c(=O)n(C)c(=O)n2C,CID4887975,,0.0,,,,,,,,,,,,,,0.0,
COCCn1c(CN2CCN(C)CC2)nc2c1c(=O)n(C)c(=O)n2C,CID2988813,,0.0,,0.0,,,0.0,,,,,,,,,,
CCCCn1c(CN2CCN(C(=O)OCC)CC2)nc2c1c(=O)[nH]c(=O)n2C,CID3241068,,0.0,,0.0,,,,,,,,,,,,,
CCCCCn1c(CN2CCN(C)CC2)nc2c1c(=O)n(C)c(=O)n2C,CID3794582,,0.0,,,,0.0,,0.0,,,,,,,,,
CCCCCCn1c(CN2CCN(C)CC2)nc2c1c(=O)n(C)c(=O)n2C,CID4152248,,0.0,0.0,,,,,0.0,,,,,,,,0.0,0.0
CCOCCn1c(CN2CCN(C)CC2)nc2c1c(=O)n(C)c(=O)n2C,CID4283586,,,,,,,0.0,,,,,,,,,,
CCOCCn1c(CN2CCN(CC)CC2)nc2c1c(=O)n(C)c(=O)n2C,CID3491242,,,,0.0,,,0.0,,,0.0,,,,,,,
CCCCCCn1c(CN2CCN(CCO)CC2)nc2c1c(=O)n(C)c(=O)n2C,CID4890121,,,,,,,,,,,0.0,,,,,,
CCCn1c(CN2CCN(C(=O)OCC)CC2)nc2c1c(=O)n(C)c(=O)n2C,CID2987989,,,0.0,,,,,,,,,,,,,,
CC(C)c1ccc(OCC(=O)NCc2ccco2)cc1,CID723517,,,,,,,0.0,,,0.0,,,,,,0.0,
CCC(C)NS(=O)(=O)c1ccc(OCC(=O)NCc2ccco2)cc1,CID648968,,,,,0.0,,,,,,,,,,,0.0,
O=C(COc1ccccc1Br)NCc1ccco1,CID675220,0.0,,,,,,,,,,,0.0,,,0.0,,
CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1ccco1,CID887579,0.0,0.0,0.0,0.0,,,,,,0.0,,,0.0,0.0,,,0.0
Cc1ccc(Cl)c(OCC(=O)NCc2ccco2)c1,CID1246404,,,,,,,,,,0.0,,,,0.0,,,
CC(C)(C)c1ccc(OCC(=O)NCc2ccco2)c(Br)c1,CID2202614,0.0,,,,,,,,0.0,,0.0,0.0,,,,0.0,0.0
CCc1ccc(OCC(=O)NCc2ccco2)c(Br)c1,CID893585,0.0,,,,,,,,,,,,,,,0.0,0.0
Cc1ccc(OCC(=O)NCc2ccco2)cc1C,CID723521,,0.0,0.0,,,,0.0,,,,0.0,,,,,0.0,0.0
CC(C)NS(=O)(=O)c1ccc(OCC(=O)NCc2ccco2)cc1,CID1084696,,,,,,,,,,,,,,0.0,,,
COc1ccccc1OCC(=O)NCc1ccco1,CID648168,,,,,,0.0,0.0,,,0.0,,,0.0,,,,
O=C(COc1ccccc1Cl)NCc1ccco1,CID707238,,0.0,,,,,,,,0.0,,,,0.0,,0.0,0.0
COC(=O)c1ccc(CNC(=O)COc2ccccc2Br)o1,CID1313619,0.0,,,,,,0.0,,,,,0.0,,,,,0.0
CCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccco2)cc1,CID2209393,,0.0,,0.0,0.0,,,,,,,,,,,,
Cc1cc(Cl)cc(Cl)c1OCC(=O)NCc1ccco1,CID2275267,,0.0,,0.0,,,,,,,,,,,,0.0,
CCOc1ccccc1OCC(=O)NCc1ccco1,CID2062145,,,,,,,,0.0,,0.0,0.0,,0.0,,0.0,0.0,
CC(C)(C)c1ccc(OCC(=O)NCc2ccco2)cc1,CID653667,,,,,,,,0.0,,0.0,0.0,,0.0,,,0.0,0.0
Cc1sc(NC(=O)c2ccc(Br)s2)c(C(N)=O)c1C,CID1244986,,,,,,,,,0.0,,,,,,,,
CCc1c(C)sc(NC(=O)c2cccs2)c1C(=O)OC(C)C,CID868671,,,0.0,,0.0,,0.0,,0.0,0.0,,,0.0,,,,
CNC(=O)c1ccsc1NC(=O)c1ccc(Cl)s1,CID5310019,,,,,,,0.0,,,,,,,,,,
CCOC(=O)c1sc(NC(=O)c2sccc2C)cc1C,CID2354963,,,,,,0.0,,,,,,,,0.0,0.0,,
COC(=O)c1ccsc1NC(=O)c1ccc(Cl)s1,CID5310042,,,,,,,0.0,,,,,,0.0,,,0.0,
Cc1sc(NC(=O)c2cccs2)c(C(=O)OC(C)C)c1C,CID903545,,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1cc(C)sc1NC(=O)c1ccc(Cl)s1,CID887645,,,,,,,,,0.0,,0.0,,,0.0,,,
CCc1c(C)sc(NC(=O)c2cccs2)c1C(N)=O,CID725819,,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1c(NC(=O)c2cccs2)sc(C(=O)N(C)C)c1C,CID1313207,,,,,,,,,,,0.0,,,,,,
CCOC(=O)c1c(NC(=O)c2cccs2)sc(C)c1CC,CID868688,,,,,,,0.0,,,0.0,,,,0.0,0.0,,
CCOC(=O)c1c(NC(=O)c2cccs2)sc(C)c1C,CID650856,,,0.0,0.0,,,,,,0.0,,,,0.0,0.0,,
CCc1cc(C(=O)OC)c(NC(=O)c2cc(Br)cs2)s1,CID1244132,,,,,,,,,0.0,,,,,,,,
CCOC(=O)c1sc(NC(=O)c2cccs2)cc1C,CID2999990,,,0.0,,,,0.0,,,,,,,,,,
NC(=O)c1ccsc1NC(=O)c1cccs1,CID2971411,0.0,,,,,,,,,0.0,,,0.0,,,,
CCOC(=O)c1sc(NC(=O)c2ccc(C)s2)cc1C,CID2352196,,,,,,0.0,,,,0.0,,,,,0.0,,
Cc1sc(NC(=O)c2ccc(Cl)s2)c(C(N)=O)c1C,CID1245304,,,,,,,,,0.0,,,,,0.0,0.0,,
Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCN(c4cc(C)ccc4C)CC3)o2)cc1,CID3240980,,0.0,,,0.0,,0.0,,,0.0,0.0,,0.0,,,,
Cc1cccc(N2CCN(C(=O)c3ccc(CS(=O)(=O)c4ccccc4C)o3)CC2C)c1,CID3245546,,,,0.0,0.0,0.0,,,,,,,,,,,
COc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCN(c4ccccc4)CC3)o2)cc1,CID5307217,,,,,,,,,,,,,0.0,,,0.0,
Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)o2)cc1,CID5308403,,,,,,,,,,,,0.0,,,,,
CCc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N2CCN(c3ccccc3OC)CC2)o1,CID5308584,,,0.0,,,0.0,,0.0,,,,,0.0,,,,
COc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)o2)cc1,CID4092554,0.0,,,,0.0,,,,,,,,,,,,
COc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCN(c4cccc(C)c4C)CC3)o2)cc1,CID4092553,,,,0.0,0.0,,,,,,,,,,,,
COc1ccccc1N1CCN(C(=O)c2ccc(CS(=O)(=O)c3ccccc3OC)o2)CC1,CID3240917,,,,0.0,0.0,,,,,,0.0,,,,,0.0,
Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)o1,CID3241476,,,,0.0,0.0,,,,,,,,0.0,,,,
COc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)o2)cc1,CID5307565,0.0,,,,,,,,,,,,,,,,
Cc1ccc(C)c(N2CCN(C(=O)c3ccc(CS(=O)(=O)c4ccccc4C)o3)CC2)c1,CID3235950,,,,,0.0,,,,,,,,,,,,0.0
Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)o1,CID3244858,,,0.0,0.0,,,0.0,0.0,,,,,,,,,
COc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N2CCN(c3ccccc3)CC2)o1,CID3238716,,,,,0.0,,,,,,,,,,,,
COc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCN(c4cccc(C)c4)C(C)C3)o2)cc1,CID5309354,,0.0,,,,,,,,,,,,,,,
COc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)o1,CID3240672,0.0,,0.0,,0.0,,,,,,0.0,,,,,,
COc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCN(c4ccccc4F)CC3)o2)cc1,CID5309112,,,,,,0.0,,0.0,,,,,,,,,
CCOC(=O)c1cnc(SCc2ccccc2)nc1N,CID251641,,,,0.0,0.0,,,0.0,,0.0,,0.0,0.0,0.0,,,0.0
Cc1cc(C)nc(SCc2cccc(C(=O)O)c2)n1,CID893891,,,0.0,,,,0.0,0.0,,,,0.0,0.0,0.0,,,
Cc1cc(C)nc(SCc2ccc(F)cc2)n1,CID823852,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)nc(SCc2ccccc2C#N)n1,CID776886,,0.0,,,,,,,,,,,0.0,,,0.0,
Cc1ccccc1CSc1ncc(C#N)c(N)n1,CID3245811,,,,,,,,,,,,,,,,0.0,
Clc1ccc(CSc2ncccn2)cc1,CID893822,,,,0.0,,,,,,0.0,,,,0.0,,,
COC(=O)c1ccc(CSc2nc(N)cc(N)n2)cc1,CID958878,,,,0.0,,,,0.0,,0.0,,,,,,,
c1ccc(CSc2ncccn2)cc1,CID472960,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)nc(SCc2ccc([N+](=O)[O-])cc2)n1,CID572519,,,,,,,,,,,,,,0.0,0.0,,
CCOC(=O)c1cnc(SCc2ccc(C)cc2)nc1N,CID757679,,0.0,0.0,,0.0,,0.0,,,0.0,0.0,,,0.0,,0.0,0.0
CCOC(=O)c1cnc(SCc2cccc(C)c2)nc1N,CID757678,,,,,,,,,,0.0,0.0,,,,,,
CCOC(=O)c1cnc(SCc2ccc(C(C)(C)C)cc2)nc1N,CID801317,,,,,,,,,,,0.0,,,,,,
Nc1cc(N)nc(SCc2ccccc2)n1,CID675042,,,,0.0,,,,,,0.0,,,,,,,
O=C(O)c1cccc(CSc2ncccn2)c1,CID893783,,,,,,,,,,,,0.0,,,,,
CNc1cc(CSC)nc(SCc2ccc(Cl)cc2Cl)n1,CID1475538,,,,,,,,,,,,0.0,,,,,
Clc1ccccc1CSc1ncccn1,CID894244,,0.0,,0.0,,,,,,,,,,0.0,,,0.0
COc1ccc2c(c1)c(C(=O)CN1CCC(C(N)=O)CC1)c(C)n2C,CID915729,,,,,,0.0,,,,,,,,,,,
CCOC(=O)C1CCN(C(C)C(=O)c2c(C)[nH]c3cc(C)ccc23)CC1,CID665585,,0.0,,,,0.0,,,0.0,,,0.0,,,,,
Cc1[nH]c2ccccc2c1C(=O)CN1CCC(C)CC1,CID919704,,,,,,0.0,,,,,,0.0,,,,,
NC(=O)C1CCN(CC(=O)c2c[nH]c3ccc(F)cc23)CC1,CID663633,,,,0.0,,,,,,,,,,,,,
CCC1CCCCN1CC(=O)c1c(C)[nH]c2ccccc12,CID659344,0.0,,0.0,,,,,,,,,,,,,0.0,
COc1ccc2[nH]cc(C(=O)CN3CCC(C)CC3)c2c1,CID663738,0.0,,,0.0,0.0,0.0,0.0,,,0.0,0.0,,,,,,0.0
COc1ccc2c(C(=O)CN3CCC(C)CC3)c[nH]c2c1,CID939409,,,,,,0.0,,,,,,,,,,,
CCOC(=O)C1CCN(CC(=O)c2c(C)[nH]c3ccccc23)CC1,CID659468,0.0,,0.0,0.0,0.0,,0.0,,0.0,,,,,,,,0.0
CC1CCN(CC(=O)c2c[nH]c3ccccc23)CC1,CID915834,,,,,,,,,,,,0.0,,,,,
COc1ccc2[nH]cc(C(=O)CN3CCCC(C)C3)c2c1,CID659176,0.0,0.0,,0.0,,,,,,,,,,,,0.0,0.0
COc1ccc2[nH]cc(C(=O)CN3CCCCC3C)c2c1,CID664545,0.0,,,,,,,0.0,,0.0,0.0,,,,,0.0,
Cc1ccc2c(C(=O)CN3CCCCC3CCO)c(C)[nH]c2c1,CID660039,,0.0,,,,,,,,,0.0,,,,,,
Cc1[nH]c2ccccc2c1C(=O)CN1CCCCC1C,CID659422,0.0,,,0.0,,0.0,,,,0.0,,,0.0,,,0.0,
COc1ccc2[nH]cc(C(=O)CN3CCCCC3)c2c1,CID44827,0.0,,0.0,0.0,,,0.0,,,,,0.0,,,,,
Cc1[nH]c2ccccc2c1C(=O)CN1CCCCC1CCO,CID660188,,,,,,,,0.0,,0.0,,,0.0,,,,
CCOC(=O)C1CCN(CC(=O)c2c(C)[nH]c3cc(C)ccc23)CC1,CID660078,0.0,,0.0,,,,,0.0,0.0,,,,0.0,,,,
O=C(NCCCO)c1ccc(CSc2nc3ccccc3[nH]2)cc1,CID1632802,,,,,,,,,,,,,,0.0,,,
CCCOc1ccc(CSc2nc3ccccc3[nH]2)cc1,CID1653621,,,,,,0.0,,,,,,0.0,,,,,
Cn1c(SCc2ccc(C#N)cc2Cl)nc2ccccc21,CID797834,,0.0,0.0,0.0,0.0,,,,,0.0,,,,,0.0,,0.0
O=C(O)Cn1c(SCc2ccccc2)nc2ccccc21,CID810847,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(CSc2nc3ccccc3[nH]2)cc1,CID685040,,,,,,0.0,,,,,,0.0,,,,,
O=[N+]([O-])c1ccc(CSc2nc3ccccc3[nH]2)cc1,CID689422,,,,,,,,,,,,,,,0.0,,
O=C(NCCO)c1ccc(CSc2nc3ccccc3[nH]2)cc1,CID4232472,,,,,,,,,,,,,,0.0,,,
Fc1ccc(CSc2nc3ccccc3[nH]2)cc1,CID694650,,,,,,,,,,,,0.0,,,,,
Cc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)[nH]c2c1,CID493265,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1,CID667702,,,,,,0.0,,,,,,,,,,,
COC(=O)c1cccc(CSc2nc3ccccc3[nH]2)c1,CID705583,,,,,,,,,,,,,,,0.0,,
Fc1c(F)c(F)c(CSc2nc3ccccc3[nH]2)c(F)c1F,CID383505,,,,,,,,,0.0,,,,,,,,
O=C(O)CCn1c(SCc2ccccc2)nc2ccccc21,CID747913,,,,,,,0.0,,,,,0.0,,0.0,0.0,,
COc1ccccc1CSc1nc2ccccc2[nH]1,CID752044,,,,,,,,,,,,0.0,,,,,
Fc1cccc(F)c1CSc1nc2ccccc2[nH]1,CID781019,,,,,,,,,,,,0.0,,,,,
O=[N+]([O-])c1cccc(CSc2nc3ccccc3[nH]2)c1,CID706117,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccc(C2/C(=C(/O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1,CID5771715,,,,,,,0.0,,,0.0,,,0.0,,,,
COc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)C2c2ccccc2OC)cc1,CID5389386,,,,,,,,,,,0.0,,0.0,,,,
CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)C2c2ccccc2OC)cc1,CID5389427,,,,,,,,0.0,,,,,,,,,
CCOc1ccc(C2/C(=C(/O)c3ccc(OC)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1OC,CID5389421,,,0.0,,,0.0,,,,,,,0.0,,,,
Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(F)cc3)C2c2cccc(Br)c2)no1,CID5389376,,,,,,,0.0,,,,,,,,,,
COC(=O)c1ccc(C2/C(=C(/O)c3ccc(OC)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1,CID5389431,,,,,,,0.0,,,,,,,,,,
COc1cccc(C2/C(=C(\O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2c2cc(C)on2)c1,CID5389436,,,,,,,,0.0,,,,,,,,0.0,
COC(=O)c1ccc(C2/C(=C(\O)c3ccc(OC)c(C)c3)C(=O)C(=O)N2c2cc(C)on2)cc1,CID5389437,,,,,,,,,0.0,,,,,,,,0.0
COc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)C2c2ccccc2OC)cc1C,CID5389439,,,,,,0.0,0.0,,,,,,,,,,
CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3cc(C)on3)C2c2ccc(C(=O)OC)cc2)cc1,CID5389401,,,,,,,,0.0,,0.0,,,,,,,
COc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)C2c2cccc(OC)c2OC)cc1C,CID5389360,0.0,,,,,,,,,,,,,,0.0,,
CCOc1ccc(C2/C(=C(\O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2c2cc(C)on2)cc1OC,CID5389440,,,,,,,,,,0.0,,,,,,,
CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3cc(C)on3)C2c2ccc(C(=O)OC)cc2)cc1,CID5389406,,,,,,,,0.0,,,,,,,,,
Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(F)cc3)C2c2ccc(Cl)cc2)no1,CID5739186,,,,,,,,,,,,,,,,0.0,
Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(Cl)cc3)C2c2cccc(Br)c2)no1,CID5739239,,,,,,,,,,,,0.0,,,,,
CC(C)(C)OC(=O)N1CCCC1C(=O)O,CID268472,,,,0.0,,,,,,0.0,,,0.0,,,0.0,
C=C(C)C(C)(C#CCN1CCCC1)OC(C)=O,CID2849814,,,0.0,,,,,,,,,0.0,,,,0.0,
CC(NC(=O)C(NC(=O)C1CCCN1C(=O)OC(C)(C)C)C(C)C)C(N)=O,CID655333,,,,,,,0.0,,,,,,,,,0.0,
COC(=O)CNC(=O)C1CCCN1C(=O)OC(C)(C)C,CID292449,,,,,,,0.0,,,0.0,,,0.0,,,,
CCC(C)C(NC(=O)N1CCCC1)C(=O)O,CID664038,,,,,,,,,,0.0,,,0.0,,,,0.0
CC(C)COC(=O)N1CC(O)CC1C(=O)O,CID646507,,,,,,,0.0,,,,,,0.0,,,,
CC(C)(C#CCN1CCCC1)OCCC#N,CID2262106,,,,,,0.0,,,,,,,,,,,
CCC(C)C(NC(=O)OC(C)(C)C)C(=O)NC(C(=O)N1CCCC1C(N)=O)C(C)CC,CID651588,,,,,,,0.0,,,,,,,,,,
CC1(C)CC(O)C(C)(C)N1O,CID551669,,0.0,,,,,,,,0.0,,,,,0.0,,
CC(C)COC(=O)N1CCCC1C(=O)O,CID3127493,,,,,,,,,,0.0,0.0,,,,,,
CC(C)(C)C(=O)N1CCCC1C(=O)O,CID2740698,,,,,,,,,,,,,,,0.0,,
O=C(O)CCCC(=O)N1CCCC1,CID752699,,,,,,,,,,,,,,0.0,,,
CC(=O)OC(C)(C)C#CCN1CCCC1,CID700571,,,,,,0.0,,,,,,0.0,,,,,
COC(=O)CNC(=O)C1CCCN1C(=O)CNC(=O)OC(C)(C)C,CID3238116,,,,,,,,0.0,,,,,,,,,
CC(CS)C(=O)N1CCCC1C(=O)O,CID44093,,,0.0,,,,,,,,,,0.0,,,,
CCn1nnnc1SCC(=O)c1ccc(C)cc1C,CID864275,,,,,,,,,,0.0,0.0,,,,,,
CCn1nnnc1SCC(=O)c1ccc(NC(C)=O)cc1,CID656295,,,,0.0,,0.0,,,,0.0,,0.0,0.0,,,0.0,
CCn1nnnc1SCC(=O)c1ccc(C)cc1,CID864274,,,,,,,,,,0.0,0.0,,,,,,
COCCn1nnnc1SCC(=O)c1ccc(F)cc1,CID654764,,0.0,,,,,,,,,,,,,,,
Cc1ccc(C)c(C(=O)CSc2nnnn2C(C)C)c1,CID1452340,,,,,,,,,,0.0,0.0,,,,0.0,,
CCCn1nnnc1SCC(=O)c1ccc(NC(C)=O)cc1,CID650270,,,,,,,,0.0,0.0,0.0,,,,,,,
COCCn1nnnc1SCC(=O)c1ccccc1,CID648820,,0.0,,0.0,,,,,,,,,,,,0.0,0.0
CCCCn1nnnc1SCC(=O)c1ccc(C)c(C)c1,CID653568,,,0.0,0.0,,0.0,,0.0,,,0.0,0.0,0.0,,,0.0,
CCn1nnnc1SCC(=O)c1cccc(OC)c1,CID1452222,,,,,,,,,,0.0,0.0,,,,,,
CCn1nnnc1SCC(=O)c1cc(OC)ccc1OC,CID653900,,,0.0,0.0,,0.0,,,,0.0,,,,0.0,0.0,,0.0
Cc1ccc(C(=O)CSc2nnnn2C(C)C)c(C)c1,CID1452339,,,,,,,,,,0.0,0.0,,,,0.0,,
CCCCn1nnnc1SCC(=O)c1cc(Cl)ccc1OC,CID3212955,,,,,,0.0,,,,,0.0,,,,,,
COc1ccc(OC)c(C(=O)CSc2nnnn2C)c1,CID654501,,0.0,0.0,,,0.0,,0.0,0.0,0.0,0.0,,,,,,0.0
COc1cccc(C(=O)CSc2nnnn2C)c1,CID655955,,,,0.0,,,,0.0,,,,,0.0,,,0.0,
CC(=O)Nc1ccc(C(=O)CSc2nnnn2C(C)C)cc1,CID652272,,0.0,,0.0,,,,,0.0,0.0,,,,,,,
O=C1CCCC(=O)C1=CNc1ccc(O)cc1,CID759972,,0.0,,,0.0,,,,,,,,,,,,
COc1ccc(NC=C2C(=O)CCCC2=O)cc1,CID876336,,,,,,,,,,0.0,,,0.0,,,0.0,
CC/C(Nc1ccc(N)cc1)=C1/C(=O)CC(C)(C)C(C(=O)OC)C1=O,CID5389130,,,,,,,,,,,0.0,,0.0,,,,
CC1(C)CC(=O)C(=CNc2ccccc2)C(=O)C1,CID748291,,,,,,,,,0.0,,,,0.0,,,0.0,
CCOC(=O)c1ccc(NC=C2C(=O)CC(C)(C)CC2=O)cc1,CID748284,,,0.0,,,0.0,,0.0,,,,,,,,,
CC1(C)CC(=O)C(=CNc2ccc(O)cc2)C(=O)C1,CID3245658,,,,0.0,0.0,,,,,0.0,,,,,,,
CCOc1ccc(NC=C2C(=O)CC(C)(C)CC2=O)cc1,CID773028,,,,0.0,,,,,,0.0,,,,,,0.0,
COc1cccc(NC=C2C(=O)CC(C)(C)CC2=O)c1,CID773023,,,,,,,,,,,,,,,0.0,,
CCC/C(Nc1ccc(N)cc1)=C1/C(=O)CC(C)(C)C(C(=O)OC)C1=O,CID5904397,,,,,,,,,,,0.0,0.0,,,,,
CC1(C)CC(=O)C(=CNc2ccccc2C(=O)O)C(=O)C1,CID745905,,,,0.0,,0.0,,,0.0,,,,,,,,0.0
COc1ccc(OC)c(NC=C2C(=O)CC(C)(C)CC2=O)c1,CID773031,,,,0.0,,,0.0,0.0,,0.0,,,,,,0.0,0.0
CCC/C(Nc1ccccc1)=C1/C(=O)CC(C)(C)C(C(=O)OC)C1=O,CID2851462,,,0.0,0.0,,,0.0,,,,,,,,,,0.0
CSc1ccccc1NC=C1C(=O)CC(C)(C)CC1=O,CID868608,,,,0.0,0.0,,,,,,,,,,,0.0,
COC(=O)c1cc(OC)c(OC)cc1NC=C1C(=O)CC(C)(C)CC1=O,CID1366294,,,,,,0.0,,0.0,,,,,0.0,,,,
COc1ccc(NC=C2C(=O)CC(C)(C)CC2=O)cc1,CID746545,,,,,,,,,,0.0,,,0.0,,,,0.0
CCN(c1cccc(C)c1)c1ncnc2nc[nH]c12,CID756728,,,0.0,,,,0.0,,,,0.0,,,0.0,,,
CCN(c1ccc(OC)cc1)c1ncnc2nc[nH]c12,CID756730,,,,,,,,,,,,0.0,,,,,
CCc1ccc(N(CC)c2ncnc3nc[nH]c23)cc1,CID3309622,,0.0,,,,,,,0.0,,,,,,,,
CCCCN(c1ccccc1)c1ncnc2nc[nH]c12,CID2155056,,0.0,,,,,,,,,,,0.0,,,,
FC(F)Sc1ccc(Nc2ncnc3nc[nH]c23)cc1,CID692133,,1.0,,,,,,,,0.0,,,,,,,
CCCCc1ccc(Nc2ncnc3nc[nH]c23)cc1,CID2155027,,,,0.0,,,,,,,,,,,,0.0,
COc1ccccc1Nc1ncnc2nc[nH]c12,CID52000,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1ccc(Nc2ncnc3nc[nH]c23)cc1,CID692130,,,,,,,,,,,,0.0,,,,,0.0
COc1ccc(Nc2ncnc3nc[nH]c23)cc1OC,CID756649,,,,,,,0.0,,0.0,,,,0.0,,0.0,,
Cc1cccc(Nc2ncnc3nc[nH]c23)c1,CID1549587,,,0.0,,,,0.0,,,,,,,0.0,,,
CCCCOC(=O)c1ccc(Nc2ncnc3nc[nH]c23)cc1,CID2155038,,0.0,,0.0,,,0.0,0.0,,,,,0.0,,,,
Cc1cccc(Nc2ncnc3nc[nH]c23)c1C,CID2155034,,,,0.0,,,,,,,,0.0,,,,,
Cc1ccc(C)c(Nc2ncnc3nc[nH]c23)c1,CID2155035,,0.0,,0.0,,,,0.0,,,,0.0,0.0,,,,
Cc1ccc(Nc2ncnc3nc[nH]c23)cc1Cl,CID2155036,0.0,1.0,,,,,0.0,,,,,,0.0,,,,
CCCN(c1ccc(OCC)cc1)c1ncnc2nc[nH]c12,CID5164062,,0.0,0.0,,,,,,,,,,,,,,
CCc1cccc(NC2c3ccccc3C(=O)N2c2ccc(C)cn2)c1,CID5308626,0.0,,,0.0,,,,0.0,,,,,0.0,,,,
CCOc1ccccc1NC1c2ccccc2C(=O)N1c1ccc(C)cn1,CID5307571,0.0,,,0.0,,0.0,,,,,0.0,,,,,,
Cc1ccnc(N2C(=O)c3ccccc3C2Nc2ccccc2Cl)c1,CID5308417,0.0,,,,,,,,,,,,,,,0.0,
CCc1ccccc1NC1c2ccccc2C(=O)N1c1cc(C)ccn1,CID5307815,0.0,,,,,,,0.0,,,,,,,,,
COC(=O)c1cc(NC2c3ccccc3C(=O)N2c2ccc(Cl)cn2)cc(C(=O)OC)c1,CID5308181,0.0,,,0.0,,,,,,,,,,,,,
CCOc1ccc(NC2c3ccccc3C(=O)N2c2ccc(Cl)cn2)cc1,CID5307964,0.0,,0.0,,,,,,,,,,,,,,
COc1cc(OC)c(NC2c3ccccc3C(=O)N2c2cc(C)ccn2)cc1Cl,CID5308379,0.0,,,,,,,,,,,,0.0,,0.0,0.0,
COc1cc(NC2c3ccccc3C(=O)N2c2ccc(C)cn2)cc(OC)c1OC,CID5309197,0.0,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1ccccc1NC1c2ccccc2C(=O)N1c1ccc(C)cn1,CID5308402,0.0,0.0,,,,,,,,0.0,,,,,,,
Cc1ccc(N2C(=O)c3ccccc3C2Nc2ccccc2)nc1,CID9550455,,,,,,,,,,0.0,,,,,,,
COc1cc(NC2c3ccccc3C(=O)N2c2cc(C)ccn2)cc(OC)c1OC,CID6622452,,,,,,0.0,,,,,,,,,,,
Cc1ccc(N2C(=O)c3ccccc3C2Nc2ccccc2F)nc1,CID5308743,,0.0,,,,0.0,,,,,0.0,,,,,,
Cc1ccnc(N2C(=O)c3ccccc3C2Nc2cccc(C)c2C)c1,CID5308015,,,,0.0,,,,,,,,,,,,,0.0
CCN(CC)S(=O)(=O)c1ccc(NC2c3ccccc3C(=O)N2c2ccc(C)cn2)cc1,CID9550097,,,,,,,,,,0.0,,,,,,,
O=C1c2ccccc2C(Nc2ccc(F)c(Cl)c2)N1c1ccccn1,CID5307769,0.0,,,0.0,,0.0,,,,,,,,,,,
COc1ccc(-n2c(C)nc3c(cnn3-c3ccccc3)c2=O)cc1,CID750040,0.0,0.0,0.0,,,,0.0,,,,,,,,0.0,,
COc1cccc(-n2c(C)nc3c(cnn3-c3ccc(C)cc3)c2=O)c1,CID3236811,0.0,0.0,0.0,,,,,0.0,,,,,0.0,,,,
COc1cccc(-n2c(C)nc3c(cnn3-c3ccc(Cl)cc3)c2=O)c1,CID3235579,0.0,,,,0.0,,0.0,,,,,0.0,,,,0.0,
COc1ccc(-n2c(C)nc3c(cnn3-c3ccc(Cl)cc3)c2=O)cc1,CID3244187,0.0,,,,0.0,,0.0,,,,,,,,,0.0,0.0
Cc1ccc(-n2ncc3c(=O)n(-c4ccc(C)c(C)c4)c(C)nc32)cc1,CID3239903,,0.0,0.0,0.0,,,,,,,,,,,,,
CCOC(=O)c1ccc(-n2c(C)nc3c(cnn3-c3ccccc3C)c2=O)cc1,CID5307961,0.0,0.0,,,,,,,,,,,0.0,,,,
CCOC(=O)c1ccc(-n2c(C)nc3c(cnn3-c3ccccc3Cl)c2=O)cc1,CID9550264,,,,,,,,,,,,,,,0.0,,
Cc1cccc(-n2c(C)nc3c(cnn3-c3ccc(F)cc3)c2=O)c1,CID3242334,,,,0.0,,0.0,,,,,0.0,,,,,,
Cc1ccc(-n2c(C)nc3c(cnn3-c3ccc(C)c(C)c3)c2=O)cc1C,CID9550877,,,,,,,,,0.0,,,,,,,,
Cc1ccc(-n2c(C)nc3c(cnn3-c3ccc(F)cc3)c2=O)cc1C,CID3243545,,0.0,,,,,,,,,,,,,,0.0,
Cc1ccc(-n2c(C)nc3c(cnn3-c3ccc(F)cc3)c2=O)cc1,CID3241750,,,,0.0,,0.0,,,,,,0.0,,,,,
Cc1ccc(-n2c(C)nc3c(cnn3-c3ccccc3Cl)c2=O)cc1C,CID9551156,,,,,,,,,,,0.0,,,,,,
CCOc1ccc(-n2c(C)nc3c(cnn3-c3ccc(Cl)cc3)c2=O)cc1,CID3237433,0.0,,0.0,,0.0,,,,,,,,,,,0.0,
CCc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)n1-c1ccc(OC)cc1,CID3244806,0.0,,,,0.0,,,,,,,,,,,,0.0
COc1ccc(-n2c(C)nc3c(cnn3-c3ccc(C)c(C)c3)c2=O)cc1,CID5307766,0.0,0.0,0.0,,,0.0,,,,,,,,,,,
COc1cc(CN2CC(C)OC(C)C2)cc(OC)c1,CID2842914,,,,,,,,0.0,,0.0,,,,,,,0.0
COc1ccc(CN2CCOCC2)cc1,CID782439,,,,,,,,,,0.0,,,,,,,
Cc1ccc(C(C#N)N2CCOCC2)cc1,CID3244987,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(C(C#N)N2CCOCC2)cc1OC,CID650469,,0.0,,,,,,,,0.0,,,,,,,
CC1CN(Cc2ccccc2Cl)CC(C)O1,CID2843397,,,,,,,,,,0.0,0.0,,,,,,
COc1cc(C(C#N)N2CCOCC2)ccc1O,CID652654,,,,0.0,,,,,,0.0,,,0.0,0.0,,,
N#CC(c1ccc(Cl)cc1)N1CCOCC1,CID591795,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(C#N)N2CCOCC2)cc1,CID85814,,,,,,,,,,0.0,,,,,,,
CCOc1cc(C(C#N)N2CCOCC2)ccc1OC,CID2947564,,,,,,,,0.0,,,,,,,,,
N#CC(c1ccc(O)cc1)N1CCOCC1,CID2801469,,,,,,,,,,0.0,,,,,,,
COc1ccc(CN2CCOCC2)cc1OC,CID782582,,,,,,,,,,,,,,0.0,,,
CC(C)C(=O)NC(=S)Nc1ccc(CN2CCOCC2)cc1,CID851460,,,,,,,,,,,,,,0.0,,,
COc1ccc(CN2CCOCC2)cc1Br,CID3142363,0.0,,,,,,,,,,0.0,0.0,,,,0.0,
COc1ccc(CN2CCOCC2)c(C)c1C,CID782672,,,0.0,,,,,,0.0,,0.0,,,,,,
CCOCCCNC(=O)C(c1ccc(C)cc1)N1CCOCC1,CID4644536,0.0,,,,,,,,0.0,0.0,,,0.0,,,,
Cc1ccc(NC(=O)CN(C)CC(=O)Nc2c(C)cccc2C)c(Br)c1,CID2699969,,,,,,,,,0.0,,0.0,,,,,,
Cc1cccc(C)c1NC(=O)CN(C)CC(=O)Nc1cc(Cl)ccc1C#N,CID2699949,,,,,,0.0,,,,,,,,,0.0,,
COc1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(Cl)cc2F)cc1,CID2449020,,,,,,,,,,,,,,,0.0,,
CN(CC(=O)Nc1ccccc1Cl)CC(=O)Nc1ccccc1[N+](=O)[O-],CID4967368,,,,,,,,,,,,,,0.0,,,
CCN(CC(=O)Nc1ccccc1OC)CC(=O)Nc1c(Cl)ccc(C)c1Cl,CID2549410,,,,,,,,,,,,,,0.0,,,
COc1cccc(NC(=O)CN(C)CC(=O)Nc2ccc(C)cc2Cl)c1,CID2474072,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(NC(=O)CN(C)CC(=O)Nc2ccccc2C#N)cc1OCC,CID2113030,0.0,,,,,0.0,,,0.0,,,,0.0,,,0.0,0.0
CCN(CC(=O)Nc1ccc(OC)cc1)CC(=O)Nc1ccc(Br)cc1F,CID2539482,,,,,,,,,,,,,,,0.0,,
CSc1ccccc1NC(=O)CN(C)C(C)C(=O)Nc1ccc(C#N)cc1,CID4879595,,,,,,,,,,,,,,0.0,,,
CC(=O)c1ccc(NC(=O)CN(C)CC(=O)Nc2cccc(F)c2)cc1,CID2439230,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(NC(=O)CN(C)CC(=O)Nc2cc(Cl)ccc2C#N)cc1OCC,CID2111676,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC(=O)CN(C)CC(=O)Nc2ccccc2SC)cc1,CID2438636,,,,,,,,,,,,,,,0.0,,
Cc1cccc(C)c1NC(=O)CN(C)CC(=O)Nc1ccc(C#N)c(Cl)c1,CID2699929,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc1,CID4831673,,,,,,,,,,,,,,0.0,,,
Cc1cccc(C)c1NC(=O)CN(C)CC(=O)Nc1ccccc1Br,CID2699975,,,,,,,,,0.0,,,,,,,,
O=C(NCCO)C1(c2ccccc2)CCCC1,CID660195,,,,0.0,,,0.0,,,,,0.0,,,,,
COc1ccc(C2(C(=O)NC(C)C)CCCC2)cc1OC,CID972560,,0.0,,0.0,,,0.0,,,,0.0,,0.0,,,0.0,
CCCCOc1cccc(C2(C(=O)O)CCCC2)c1,CID595010,,,,,,,,,0.0,,,,,,,,
COc1ccc(C2(CNC(C)=O)CCCC2)cc1OC,CID789986,,0.0,,,,,0.0,,,0.0,0.0,0.0,,,,0.0,0.0
CCCCOc1ccc(C2(C(=O)O)CCCC2)cc1,CID612413,,,,,,,,,0.0,,,,,0.0,,,
N#CCC(=O)NCC1(c2ccccc2)CCCC1,CID847345,,,0.0,0.0,0.0,,,,,0.0,,,,,,0.0,
COc1ccc(C2(CN(C(C)=O)C(C)=O)CCCC2)cc1OC,CID659357,0.0,,,,,0.0,0.0,,0.0,,,,,,,,
CC(=O)NC1CCC(C(=O)O)(c2ccccc2)C1,CID650724,,,0.0,0.0,,,,,,0.0,,,,,,,
COc1ccc(C2(C(=O)O)CCCC2)cc1,CID98630,,,0.0,,,,,0.0,0.0,,,,0.0,0.0,,,
COc1cc(CO)c(C2(CO)CCCC2)cc1OC,CID739188,,,,0.0,0.0,,,0.0,,,,,,,,,
CCNC(=O)C1(c2ccccc2)CCCC1,CID778764,,,,,,,,,0.0,0.0,,,,,,0.0,
CCOC(=O)CNC(=O)C1(c2ccccc2)CCCC1,CID662639,,,0.0,,,,,,0.0,0.0,,,,,0.0,,0.0
COc1ccc(C2(CNC(=O)CCC(=O)O)CCCC2)cc1OC,CID755406,,,,,,0.0,,,,,,0.0,,,0.0,,
COc1ccc(C2(CNC(=O)CCC(=O)O)CCCC2)cc1,CID935095,,,0.0,,,,,0.0,0.0,0.0,0.0,,,,,,0.0
CCCOc1ccc(C2(C(=O)O)CCCC2)cc1,CID608956,,,,,,,,,0.0,,,,,0.0,,,0.0
COc1ccc(C2C(C(=O)Nc3ccc(F)cc3)=C(C)N=C3N=C(CCCO)NN32)cc1,CID5309951,,,0.0,,,,0.0,,,,,,,,,,
COC(=O)c1ccc(C2C(C(=O)Nc3ccc(C)cc3C)=C(C)N=C3N=CNN32)cc1,CID5308624,0.0,,,,,,,,,,,,,,,,
COc1cccc(C2C(C(=O)Nc3ccc(C)cc3C)=C(C)N=C3N=CNN32)c1OC,CID5389995,,,,,,,,,,,,,,,,0.0,
COc1ccc(OC)c(C2C(C(=O)Nc3ccccc3OC)=C(C)N=C3N=C(CCCO)NN32)c1,CID5309975,,,0.0,,,,,,,,,,,0.0,,,0.0
COc1ccc(OC)c(C2C(C(=O)Nc3ccc(F)cc3)=C(C)N=C3N=C(CCCO)NN32)c1,CID5307449,,,,,,,0.0,,,,,,,,,0.0,
CC1=C(C(=O)Nc2ccc(F)cc2)C(c2cccc(C)c2)N2NC(CCCO)=NC2=N1,CID5308237,,,,,,,,,,,,,,,,0.0,
COC(=O)c1ccc(C2C(C(=O)Nc3ccccc3C)=C(C)N=C3N=CNN32)cc1,CID5390054,,,,,,,0.0,,,,,,0.0,,,,
COc1cc(OC)c(C2C(C(=O)Nc3ccc(C)cc3C)=C(C)N=C3N=CNN32)cc1OC,CID5771374,,,0.0,,,,,,0.0,,,,,,,,
COc1ccc(C2C(C(=O)Nc3ccccc3)=C(C)N=C3N=C(CCCO)NN32)cc1,CID5771458,,,,,,,,,,,,,,,,0.0,
COc1ccc(C2C(C(=O)Nc3ccccc3OC)=C(C)N=C3N=CNN32)cc1,CID5309457,0.0,,,0.0,,,,0.0,,,,,,,,0.0,
COc1cc(C2C(C(=O)Nc3ccccc3OC)=C(C)N=C3N=CNN32)ccc1O,CID5308967,0.0,,,,,,0.0,,0.0,,,,,,,0.0,
COc1ccccc1NC(=O)C1=C(C)N=C2N=CNN2C1c1ccccc1C,CID5771490,,0.0,,,,,,,,,,,,,,,
CCOc1ccc(C2C(C(=O)Nc3ccc(F)cc3)=C(C)N=C3N=C(CCCO)NN32)cc1,CID5309020,,,,,,,,,,,,,,,,0.0,
COc1ccc(C2C(C(=O)Nc3ccc(C)cc3C)=C(C)N=C3N=CNN32)c(OC)c1OC,CID5771431,,,,,,,,,,,,,,,,0.0,
CSC1=NC2=NC(C)=C(C(=O)Nc3ccc(C)cc3C)C(c3cccc(F)c3)N2N1,CID11957244,,,,,,,,,,,,0.0,,,,,
CCCCC(=O)c1c(O)oc2ccccc2c1=O,CID341255,,,0.0,,,,,,,,,,,0.0,,0.0,
COc1ccc2oc(C(F)(F)C(F)(F)F)cc(=O)c2c1,CID800080,,,,,,,,,0.0,,,,,,,,
Cc1ccc2occ(/C=C/C(=O)O)c(=O)c2c1,CID708077,,,,,,,,,,,,,,0.0,,,
Cc1cc(=O)c2c(O)c(O)ccc2o1,CID3242207,,,,,0.0,,,,,,,,,,,,
O=c1cc(C(F)(F)C(F)F)oc2ccccc12,CID715711,,,,,,,,,0.0,,,,,,,,
COc1ccc2oc(C(F)(F)C(F)F)cc(=O)c2c1,CID715717,,,,,,,,,0.0,,,,,,,,
O=C(O)/C=C/c1coc2ccccc2c1=O,CID677037,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1c(C)oc2c(F)c(F)c(F)c(F)c2c1=O,CID660935,,,,,,,,,0.0,,,,,,,,0.0
COC(=O)c1cc(=O)c2ccc(OC)cc2o1,CID739444,,,,,,,,0.0,,,,,,,,0.0,
CCOC(=O)Nc1cc(=O)c2ccccc2o1,CID739443,,,,,,0.0,,0.0,,,,,,,,0.0,
CCOC(=O)Nc1oc2ccccc2c(=O)c1C,CID900079,,,,,,,,,,0.0,,,,,,,
C=CCNC(=O)c1cc(=O)c2ccccc2o1,CID3235917,,,,,,,,,,0.0,,,0.0,,,0.0,
COc1ccc2c(=O)cc(C(=O)O)oc2c1,CID455309,,,,,,,,,,,,,,0.0,,,
COc1ccc2c(=O)cc(C(F)(F)C(F)(F)F)oc2c1,CID800341,,,,,,,,,0.0,,,,,,,,0.0
Cc1ccc2occ(/C=N/O)c(=O)c2c1,CID948813,,,,,,,,,,,,,,,0.0,,
COC(=O)c1ccc(N2C(=O)CC(N3CCOCC3)C2=O)cc1,CID2867056,,,0.0,,,,,0.0,,0.0,,,,,,,
O=C1CC(N2CCOCC2)C(=O)N1c1ccccc1Cl,CID2834471,,0.0,,0.0,,,,,0.0,0.0,,,0.0,,,0.0,0.0
CC(=O)Nc1ccc(N2C(=O)CC(N3CC(C)OC(C)C3)C2=O)cc1,CID654030,,,0.0,,,,,0.0,,,,,,,,,0.0
CCOc1ccc(N2C(=O)CC(N3CC(C)OC(C)C3)C2=O)cc1,CID3139880,,0.0,,,,,,,,0.0,,,,,,,
CCCOc1ccc(N2C(=O)CC(N3CCOCC3)C2=O)cc1,CID2849727,,,,0.0,,,,0.0,,,,,,,,,
COc1ccc(N2C(=O)CC(N3CCOCC3)C2=O)cc1,CID2732615,,,,,,,,,,0.0,,,,,,,
O=C1CC(N2CCOCC2)C(=O)N1c1cccc(Cl)c1,CID2827714,,,,,,,,,,,,,,,,0.0,0.0
CCOc1ccc(N2C(=O)CC(N3CCOCC3)C2=O)cc1,CID2998982,,,,,,,0.0,0.0,,0.0,0.0,,0.0,,,0.0,
Cc1cccc(N2C(=O)CC(N3CCOCC3)C2=O)c1,CID2827709,,,,,,,,0.0,,,,,,,,,
O=C1CC(N2CCOCC2)C(=O)N1c1cc(Cl)cc(Cl)c1,CID2853236,0.0,,,,,,,,,,,,0.0,,,,
CCOC(=O)c1ccc(N2C(=O)CC(N3CC(C)OC(C)C3)C2=O)cc1,CID2982516,,0.0,,,,,0.0,0.0,,,,,,,,,
CCCOc1ccccc1N1C(=O)CC(N2CCOCC2)C1=O,CID3860882,,,,,,0.0,0.0,,,,,,,,,,
CC(=O)Oc1ccc(N2C(=O)CC(N3CCOCC3)C2=O)cc1,CID2827739,,,,0.0,,,,,,,,,0.0,,0.0,,
CCOC(=O)c1ccc(N2C(=O)CC(N3CCOCC3)C2=O)cc1,CID2877522,,,,,,,,0.0,,,,,,,,,
Cc1cc(C)cc(N2C(=O)CC(N3CCOCC3)C2=O)c1,CID2925788,,,,,,,,,,,,,,0.0,,,
O=C(COC(=O)c1cccnc1Cl)c1ccc(F)cc1,CID2358682,,,,,,,,,,,,,,0.0,,,
CCc1ccc(C(=O)COC(=O)c2ccc(Cl)nc2)cc1,CID2458470,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)COC(=O)c2cccnc2SC)cc1,CID2358127,,,,,,,,,,,,,,0.0,,,
O=C(COC(=O)c1cccnc1Cl)c1ccccc1,CID2459480,,,,,,,,,,0.0,,,,0.0,,,
O=C(COC(=O)c1cccnc1)c1ccc(Br)cc1,CID765179,,,,,,,,,,,,,,,0.0,,
CCc1ccc(C(=O)COC(=O)c2cccnc2Cl)cc1,CID2459972,,,,,,,,,,,,,,0.0,,,
CSc1ncccc1C(=O)OCC(=O)c1ccccc1Br,CID2355261,,,,,,,,,,,,,,0.0,,,
CCOc1ncccc1C(=O)OCC(=O)c1ccccc1,CID2346574,,,,,,,,,,,,,,,0.0,,
CCOc1ncccc1C(=O)OCC(=O)c1ccc(OC)c(OC)c1,CID2106027,,,,,,,,,,,,,,,0.0,,
COc1ccc(OC)c(C(=O)COC(=O)c2cccnc2Cl)c1,CID2411025,,,,,,,,,,,,,,0.0,,,
CSc1ncccc1C(=O)OCC(=O)c1ccccc1,CID2358109,,,,,,,,,,,,,,0.0,,,
O=C(COC(=O)c1cccnc1)c1ccc(Cl)cc1,CID661010,,0.0,,0.0,,0.0,0.0,,,,,,,,0.0,0.0,0.0
Cc1cc(C)c(C(=O)COC(=O)c2cccnc2Cl)c(C)c1,CID2444893,,,,,,,,,,,,,,0.0,,,
O=C(COC(=O)c1cccnc1Cl)c1ccc(OC(F)F)cc1,CID2099331,,,,,,,,,,,,,,0.0,,,
CCc1ccc(C(=O)COC(=O)c2cncc(Br)c2)cc1,CID2458500,,,,,,,,,,,,,,,0.0,,
COc1ccc(Cl)cc1NC(=O)NC(C)c1ccncc1,CID2956818,0.0,,0.0,0.0,,,,,,0.0,,,,,,0.0,0.0
COc1ccc(NC(=O)NCc2ccncc2)cc1,CID895172,,,,,,,,,0.0,,,0.0,,,0.0,,
CCOC(=O)c1ccc(NC(=O)NCc2ccncc2)cc1,CID969968,0.0,0.0,0.0,0.0,,,,,0.0,,,0.0,,0.0,0.0,,
CCOc1ccc(NC(=O)N(CCN(C)C)C(C)c2ccncc2)cc1,CID5011682,,,,,,0.0,,,,,,,,,,0.0,
COCCCN(C(=O)Nc1ccccc1)C(C)c1ccncc1,CID4070233,,0.0,,,0.0,,,,,,0.0,,,,,,
O=C(NCc1ccncc1)Nc1ccccc1,CID306456,,,,,,,,,,,,0.0,,,,,
COc1ccc(NC(=O)NCc2ccncc2)c(OC)c1,CID971019,,,,,,,,,0.0,,0.0,,,,0.0,,
O=C(NCc1ccncc1)Nc1ccc(F)cc1,CID895223,,,,,,,,,,,,,,0.0,,,
CC(=O)c1cccc(NC(=O)NC(C)c2ccncc2)c1,CID2956722,,,,,0.0,,,,,,,,0.0,,,,
O=C(NCc1ccncc1)Nc1cccc(Cl)c1,CID896598,,,,,,,,,,0.0,,,,,0.0,,
COc1ccc(NC(=O)NC(C)c2ccncc2)cc1OC,CID2957806,,,,,0.0,,0.0,,,,,0.0,,,,,
O=C(NCc1ccncc1)Nc1ccccc1Cl,CID306464,0.0,0.0,,,,0.0,0.0,,,0.0,0.0,,0.0,,,0.0,
CC(NC(=O)Nc1ccc(F)cc1F)c1ccncc1,CID2956787,,,,0.0,,,,,,,,,,,,,0.0
COc1cc(NC(=O)NCc2ccncc2)cc(OC)c1OC,CID2330745,0.0,0.0,0.0,0.0,,,0.0,0.0,0.0,,,0.0,,,,,
O=C(NCc1ccncc1)Nc1cccc([N+](=O)[O-])c1,CID970208,,,,,,,,,,,,,,,0.0,,
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1,CID444795,,,,,,,0.0,,,,,,,,,,
CS(=O)(=O)NCCC1=CCCCC1,CID3246760,,,0.0,,0.0,,,,,,,,,,,,
CSCCC(NC(=O)NCCC1=CCCCC1)C(=O)O,CID664756,,,,0.0,,,0.0,,,,,,,,,,
C=CCNC(=O)C1CC=CCC1C(=O)O,CID350821,,,,,,,,,,0.0,,,,,,,
CC(C)(C)C1=CC(CO)CC(CO)C1,CID660718,,,,,,,,,,,,,0.0,,,,
CC1=CC(C)C(C(=O)O)C(C(=O)O)C1,CID219945,,,,,,0.0,,,,,,,,,,0.0,
COC(=O)C(CCSC)NC(=O)NCCC1=CCCCC1,CID663409,,,0.0,0.0,,,0.0,,,,,,,,,,
CC1=C(CC/C(C)=N/NC(N)=S)C(C)(C)CCC1,CID805377,,,,,,,,,,,,,,0.0,,,
CC1=CCC(C(=O)O)C(C(=O)O)C1,CID263032,,,,,,,,,,,,,0.0,,,0.0,
CC1C=CC(C)C(C(=O)O)C1C(=O)O,CID2832711,,,,,,,,,,,,,,,,0.0,
COC1(OC)C(N=O)=C(NO)CCC1O,CID604664,,0.0,,,,,,,,,,0.0,,,,,
CCC(=O)NC1CC(C(C)(C)NC(=O)CC)CC=C1C,CID658528,,,,0.0,,,,,,0.0,,,,0.0,,,
CC1=C(/C=C/C(=O)O)C(C)(C)CCC1,CID5383969,,,,,,,,,0.0,,,,,,,,
CC1=CC(C)C(COC(N)=O)(COC(N)=O)C(C)C1,CID657428,,0.0,,,0.0,,0.0,0.0,,,,,0.0,,,,
CCCNC(=O)C(=O)NCCC1=CCCCC1,CID2888937,,,,,,,,,,0.0,0.0,,,,,,
COc1ccc(OCC(=O)N2CCOCC2)cc1,CID809046,,,,,,,0.0,,,0.0,,,0.0,0.0,,0.0,
Cc1cc(OCC(=O)N2CCOCC2)c(C(C)C)cc1Cl,CID895162,,,,,,,,,,0.0,,,,0.0,,0.0,0.0
O=Cc1ccc(OCC(=O)N2CCOCC2)cc1,CID894260,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C)c(OCC(=O)N2CCOCC2)c1,CID920934,,,,,,0.0,,,0.0,0.0,0.0,,,,0.0,,
COc1ccc(OC(C)C(=O)N2CC(C)OC(C)C2)cc1,CID2974424,,,0.0,,,,,,,,,,,,,,
Cc1ccc(OCC(=O)N2CCOCC2)cc1C,CID834348,,,,,,,,,,,,,,,0.0,,
CCOc1cc(/C=C\[N+](=O)[O-])ccc1OCC(=O)N1CCOCC1,CID2202307,,,,,,,,,,,,,,,0.0,,
COc1cc(C(=O)O)ccc1OCC(=O)N1CCOCC1,CID2363825,,,,,,0.0,,,,,,,0.0,,0.0,,
Cc1cc(C)c(C)c(OCC(=O)N2CCOCC2)c1,CID888205,,,,,,,,,0.0,0.0,0.0,,,,,,
COc1ccc(OC(C)C(=O)N2CCOCC2)cc1,CID2952728,,,0.0,,,,0.0,0.0,,0.0,,,,,,0.0,
CCOc1ccc(OCC(=O)N2CCOCC2)cc1,CID732607,,,,,,,0.0,,,,,,,0.0,0.0,0.0,
Cc1ccc(C(C)C)c(OCC(=O)N2CCOCC2)c1,CID652486,,,,,,,0.0,,,0.0,0.0,,0.0,,0.0,,
O=C(COc1ccc(/C=C\[N+](=O)[O-])cc1)N1CCOCC1,CID2210686,,,,,,,,,,,,,,,0.0,,
O=C(COc1ccc(Br)cc1)N1CCOCC1,CID674921,,,,,,,,,0.0,,0.0,,,,,,
Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)N1CCOCC1,CID1248444,,,0.0,0.0,,,,0.0,,0.0,,,,,,,
Cc1nc2nc[nH]c2cc1Br,CID5310884,,,,,,,0.0,,,,,,,,,,
CCN(CC)C(=O)CSc1nc2ncc(Cl)cc2[nH]1,CID665534,,0.0,0.0,,,,,,,,,,,,,,0.0
Cc1nc2nc(SCC(=O)C(C)(C)C)[nH]c2cc1Br,CID5389920,,,,,,,0.0,,,,,,,,,0.0,
CCOC(=O)CNC(=O)CSc1nc2ncc(Br)cc2[nH]1,CID665339,0.0,,,,,,0.0,,0.0,,0.0,,,,,,
CC(C)OC(=O)CSc1nc2ncccc2[nH]1,CID665801,,0.0,,,,,,,0.0,0.0,,,,,,,
CCN(CC)C(=O)CSc1nc2ncc(Br)cc2[nH]1,CID665096,0.0,,,,,,,,0.0,,0.0,,,,,0.0,0.0
CC(C)(C)C(=O)CSc1nc2ncc(Br)cc2[nH]1,CID665327,,,,,,,,,0.0,,0.0,,,,,0.0,
COC(=O)CSc1nc2nc(C)c(Br)cc2[nH]1,CID6072558,,,,,,,,,,,,,,,0.0,,
CCN(CC)C(=O)CSc1nc2ncccc2[nH]1,CID665468,,0.0,,,,,,,,0.0,0.0,,0.0,,,,
CCOC(=O)CNC(=O)CSc1nc2nc(C)c(Br)cc2[nH]1,CID5389918,,,,,,,,,,,,0.0,,,,0.0,
COC(=O)CSc1nc2ncc(Cl)cc2[nH]1,CID665073,,0.0,,0.0,,,,,,,,,,,,,0.0
C=C(C)CSc1nc2ncccc2[nH]1,CID665481,,,,0.0,,,,,,0.0,,,,,,,
C=C(C)CN(CC)C(=O)CSc1nc2ncc(Cl)cc2[nH]1,CID2481579,,0.0,,0.0,,,,,,,,,,,,,0.0
C=C(C)CSc1nc2ncc(Cl)cc2[nH]1,CID2039561,,,,,,,,,,,0.0,,,,,,
FC(F)(F)c1nc2ncc(Cl)cc2[nH]1,CID911208,,,,,,,,,,,,,,0.0,,,
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1,CID1128080,,,,,,0.0,,0.0,,0.0,,,0.0,,,,
CCOc1ccccc1C(=O)NC(C)c1ccc2c(c1)OCO2,CID2971232,,,,,,,,,,0.0,0.0,,,,,0.0,
CC(C)C(=O)Nc1cccc(C(=O)NCc2ccc3c(c2)OCO3)c1,CID890321,0.0,,,0.0,,,0.0,,0.0,,,,0.0,,,,0.0
O=C(NCc1ccc2c(c1)OCO2)c1c(F)c(F)c(F)c(F)c1F,CID2164081,,,,,,,,,0.0,,,,,,,,0.0
CC(C)NC(=O)CSc1ccccc1C(=O)NCc1ccc2c(c1)OCO2,CID2529401,,,,,,0.0,,,,,,,,,,,
CN(c1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1)S(C)(=O)=O,CID1090611,,,,,,,,,,,0.0,,,,,,
CSc1ccccc1C(=O)NCc1ccc2c(c1)OCO2,CID2226989,,,,,0.0,,,,,,,,0.0,,,,
O=C(NCc1ccc2c(c1)OCO2)c1cccc(Cl)c1,CID646891,0.0,0.0,0.0,0.0,,,,,,0.0,,,0.0,,,0.0,0.0
O=C(NCc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1,CID870369,,,,,,,,,,,,0.0,,,,,
COCCSc1ccccc1C(=O)NCc1ccc2c(c1)OCO2,CID2218471,,,,,,0.0,,,,0.0,0.0,,,0.0,,,
CS(=O)(=O)Nc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1,CID1253207,,,0.0,0.0,0.0,,0.0,,0.0,,,,0.0,,0.0,0.0,
O=C(NCc1ccc2c(c1)OCO2)c1cccc(F)c1,CID2876965,,0.0,,0.0,,,,,,,,,,,,,
CCOc1ccccc1C(=O)NCc1ccc2c(c1)OCO2,CID670767,,0.0,,,,,0.0,0.0,,,0.0,,0.0,,,,0.0
COc1ccccc1C(=O)NCc1ccc2c(c1)OCO2,CID790079,,,,,,0.0,,0.0,0.0,,0.0,,0.0,,,,
CCSc1ccccc1C(=O)NCc1ccc2c(c1)OCO2,CID2209338,,,,0.0,0.0,,,,,,,,,0.0,,,
COc1cc(C)c(Cl)cc1S(=O)(=O)NCC1CCCO1,CID2966811,,,,,,,,,,0.0,,0.0,,,,0.0,0.0
Cc1ccc(C(=O)O)cc1S(=O)(=O)NCC1CCCO1,CID2959664,,,,,0.0,,,,,,0.0,0.0,,,,0.0,
CCOC(=O)COc1ccc(S(=O)(=O)NCC2CCCO2)cc1,CID2943598,,,,,,,,,0.0,0.0,0.0,,,,0.0,,
O=C(O)c1cccc(S(=O)(=O)NCC2CCCO2)c1,CID2952881,,,0.0,,0.0,,,,0.0,,,,,,,0.0,
COc1cc(S(=O)(=O)NCC2CCCO2)c(OC)cc1Cl,CID2968373,,,,0.0,,,0.0,,,0.0,,,,,,0.0,
COC(=O)COc1ccc(S(=O)(=O)NCC2CCCO2)cc1Cl,CID2957296,,,,0.0,,,,,,,,,,,,,
CCOc1ccc(S(=O)(=O)NCC2CCCO2)cc1,CID3154669,,,,,,,,,0.0,,,0.0,,,0.0,,
O=S(=O)(NCC1CCCO1)c1cccc(C(F)(F)F)c1,CID2998541,,,,,,,,,,,,,,,,,0.0
O=C(O)c1cc(S(=O)(=O)NCC2CCCO2)ccc1Cl,CID653213,,0.0,,0.0,,,,,,,,,,,,,
COc1cc(S(=O)(=O)NCC2CCCO2)ccc1Br,CID2967761,,,,,,,,,0.0,,,,,,,,
CCOc1cc(C)c(Cl)cc1S(=O)(=O)NCC1CCCO1,CID2978804,,0.0,,,,,,,,0.0,,,,,0.0,,0.0
CCC(=O)Nc1ccc(S(=O)(=O)NCC2CCCO2)cc1,CID3158305,,,,,,,,,0.0,,,,,,,,
COc1ccc(OC)c(S(=O)(=O)NCC2CCCO2)c1,CID2868443,,,,,,,,0.0,,,,,,,,,
Cc1cc(Cl)c(S(=O)(=O)NCC2CCCO2)cc1OCC(N)=O,CID2950528,,0.0,,0.0,,,,,,,,,0.0,,,,
O=S(=O)(NCC1CCCO1)c1ccc(Cl)c(C(F)(F)F)c1,CID2939517,,,,,,,,,0.0,,,,,,,,0.0
O=C(Cc1cccs1)Nc1ccccc1C(=O)O,CID652212,,,,,,,,0.0,0.0,,0.0,,,,,,
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)Cc2cccs2)c1,CID2916451,,,,,,,,,,,,,,,0.0,,
COc1ccccc1NC(=O)Cc1cccs1,CID779612,,,0.0,,0.0,,0.0,0.0,,0.0,,,0.0,,,,
COc1cccc(NC(=O)Cc2cccs2)c1,CID649716,,,,0.0,0.0,,0.0,,,,,,,,,,
CC(=O)c1cccc(NC(=O)Cc2cccs2)c1,CID871915,,,,0.0,0.0,0.0,,0.0,,,,,,0.0,0.0,,
CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1,CID2931351,,,,,,,,,,,0.0,,,,0.0,,
COC(=O)c1cc(OC)c(OC)cc1NC(=O)Cc1cccs1,CID803078,,,,,,,,,,,,,,0.0,,,
O=C(Cc1cccs1)Nc1ccc(C(=O)O)cc1,CID649392,,,0.0,,,,0.0,,0.0,,,0.0,,0.0,,0.0,
CC(C)(C)NC(=O)c1cccc(NC(=O)Cc2cccs2)c1,CID1120381,,,,,,,,,,,,,,0.0,,,
CCCNS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1,CID1630798,,,,,,,,,,0.0,,0.0,,,,,
COc1ccc(NC(=O)Cc2cccs2)c(OC)c1,CID669813,,,0.0,,0.0,,,0.0,,,,,,0.0,,0.0,
O=C(Cc1cccs1)Nc1ccc(Cl)cc1,CID669817,,,,0.0,,,,,,0.0,,,0.0,,,,
COc1cc(NC(=O)Cc2cccs2)cc(OC)c1,CID869610,,,0.0,0.0,0.0,,,0.0,,,,,,0.0,,0.0,
CCOc1cccc(NC(=O)Cc2cccs2)c1,CID898929,,,0.0,0.0,0.0,,0.0,0.0,,,,,,,,,
CCCCN(CCCC)S(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1,CID2187354,,,,,,,,,,,0.0,,,,,,
COC(=O)c1sc(NC(=O)c2c(OC)cccc2OC)c(C#N)c1C,CID1088392,,,,,,,,,,,,,,,0.0,,
CCN(CC)C(=O)c1sc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C#N)c1C,CID1220896,,,,,,0.0,,,,,,,,,,,
CCc1c(C)sc(NC(=O)c2ccccc2[N+](=O)[O-])c1C(N)=O,CID868760,,,,,,,,,,,,,,0.0,,,
CNC(=O)c1ccsc1NC(=O)c1ccccc1,CID5309978,,,0.0,0.0,,,,0.0,,,,,,,,,
CCOC(=O)c1sc(NC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)cc1C,CID2354964,,,,,,,,,,,,,,,0.0,,
Cc1sc(NC(=O)c2ccc(F)cc2)c(C(=O)O)c1C,CID829693,,,,,,0.0,,,,,,,,,,,
Cc1sc(NC(=O)c2ccccc2)c(C(=O)NCCN(C)C)c1C,CID792246,,,,,,,,,,,,,,0.0,,,
CCc1cc(C(N)=O)c(NC(=O)c2ccc(OC)cc2)s1,CID842078,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C(=O)Nc2sc(C(=O)N(C)C)c(C)c2C#N)cc1,CID841069,,,,,,,,,,,,,,,0.0,,
CC(C)(C)NS(=O)(=O)c1cc(C(=O)Nc2sccc2C#N)ccc1Cl,CID2307622,,,,,,,,,,,,,,0.0,,,
Cc1cc(NC(=O)c2ccccc2)sc1C,CID570162,,,,0.0,0.0,,,,,,,,,,,,
Cc1ccc(NC(=O)c2ccccc2)s1,CID570111,,,,,0.0,,0.0,0.0,,,,,,,,,
CCN(CC)C(=O)c1c(NC(=O)c2ccccc2)sc(C)c1C,CID724942,,,,,,0.0,,,,,,0.0,,0.0,,,
CCc1cc(C(=O)O)c(NC(=O)c2cc(OC)c(OC)c(OC)c2)s1,CID1082731,,,,,,,,,,,,,,,0.0,,
Cc1sc(NC(=O)c2ccccc2)c(C(=O)NC(C)C)c1C,CID569946,,,,,,,,,,,0.0,0.0,,,,,
CCN(CC)CCNC(=O)c1c(C)n(-c2ccccc2)c2cc(Br)c(OC)cc12,CID1875051,,,,,,,,,0.0,,0.0,,,,,,
Cc1c(C(=O)O)c2cc(O)ccc2n1-c1ccccc1,CID652127,,,,,,,,0.0,,,,,0.0,,,0.0,
CCOc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccccc1,CID940424,,,,,,,,,,,0.0,,,,,,
Cc1ccc(-n2c(C)c([N+](=O)[O-])c3ccc(O)cc32)cc1,CID899976,,,,,,0.0,,,,,,,,,,,
CC(=O)c1c(C)n(-c2ccc(N(C)C)cc2)c2ccc(OCC(N)=O)cc12,CID653031,,0.0,,,,0.0,0.0,,,,,,0.0,0.0,,,0.0
COc1ccc(-n2c(C)c(C(C)=O)c3cc(O)ccc32)cc1,CID658914,,0.0,,,,,0.0,,,,,,,,,,0.0
CCN(CC)Cc1c(O)ccc2c([N+](=O)[O-])c(C)n(-c3ccc(OC)cc3)c12,CID1207838,,,,,,,,,,,,0.0,,,,,
CC(=O)c1c(C)n(-c2ccccc2)c2ccc(O)cc12,CID781247,,,,,,,0.0,,0.0,0.0,,,,0.0,,,
COC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(O)cc12,CID975129,,,,,,,,,,0.0,0.0,,,,,,
COc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccccc1,CID746058,,,,,,0.0,,,0.0,,,,,0.0,,,
COC(=O)c1c(C)n(-c2ccc(OC)cc2)c2ccc(O)cc12,CID1508818,,,,,,,0.0,,,,0.0,,,,,0.0,
CCN(CC)CC(O)COc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccccc1,CID2897425,,,,,,,,,,,,0.0,,,,,
O=C(O)c1cc2ccccc2n1-c1ccccc1,CID646116,,,,,,,,0.0,,,0.0,,0.0,,,,
COC(=O)c1c(C)n(-c2ccccc2)c2ccc(O)cc12,CID3237314,,,0.0,,,,,,,,,,0.0,,,0.0,
Cc1ccc(-n2c(C)c([N+](=O)[O-])c3ccc(O)c(CN(C)C)c32)cc1,CID792581,,,,,,,,,0.0,,,0.0,,,,,
Cc1cc(-n2c(SCCC#N)nnc2-c2cccnc2)ccc1Cl,CID653983,,,,,0.0,,,,,,,,0.0,,,,0.0
Cc1ccc(-n2c(SCC(N)=O)nnc2-c2cccnc2)c(C)c1,CID859114,,0.0,0.0,0.0,,,,,,0.0,,,0.0,,,0.0,
COc1ccc(-n2c(SCC#N)nnc2-c2cccnc2)cc1,CID648827,0.0,0.0,,,0.0,,,0.0,,,,,,,,0.0,
N#CCSc1nnc(-c2cccnc2)n1-c1ccccc1,CID645125,,0.0,,,0.0,0.0,0.0,,,,,,,,,0.0,
Cc1ccccc1-n1c(SC(C)C(N)=O)nnc1-c1cccnc1,CID2999716,0.0,,,0.0,,,,,,0.0,,,,,,0.0,
COc1ccc(-n2c(SCC(N)=O)nnc2-c2cccnc2)cc1,CID864965,,,,,,,,,,,0.0,,,,,,
CCOC(=O)CCSc1nnc(-c2cccnc2)n1-c1ccccc1OC,CID651394,0.0,,0.0,,,,0.0,0.0,,,0.0,,,,,0.0,0.0
CN(C)C(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1,CID687994,0.0,0.0,,0.0,0.0,,0.0,0.0,,,,,,,,0.0,
COc1cccc(-n2c(SCC(=O)OC(C)C)nnc2-c2cccnc2)c1,CID647678,0.0,,0.0,0.0,,,,0.0,,,,,0.0,,,,
COc1cccc(-n2c(SCC(=O)O)nnc2-c2cccnc2)c1,CID656161,,0.0,,,,,,0.0,,,,,,,,,
CCOc1ccccc1-n1c(SCC(=O)N(C(C)C)C(C)C)nnc1-c1cccnc1,CID654467,0.0,,0.0,,,,,,,,,,,,,0.0,
CCOc1ccccc1-n1c(SCC(N)=O)nnc1-c1cccnc1,CID3244328,,0.0,,,,,,,,,,,,,,,
COC(=O)CSc1nnc(-c2cccnc2)n1-c1cc(OC)cc(OC)c1,CID655140,,0.0,,,,,,,,,,,,,,0.0,0.0
COC(=O)CSc1nnc(-c2cccnc2)n1-c1cccc(OC)c1,CID655489,0.0,0.0,0.0,0.0,,,,,,,0.0,,0.0,,,,0.0
CCc1ccccc1-n1c(SCC(=O)NC)nnc1-c1cccnc1,CID646117,0.0,0.0,,0.0,0.0,0.0,,0.0,,0.0,,,,,,,
CCOC(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2Cl)CC1,CID976042,,,,,,,,,,,,,,,,,0.0
CCOC(=O)N1CCN(C(=O)Nc2ccccc2Cl)CC1,CID645322,0.0,0.0,,0.0,,,0.0,,,0.0,,,0.0,,0.0,,0.0
CCOc1ccc(NC(=O)N2CCN(CC)CC2)cc1,CID971922,,,,,,,0.0,,,,,0.0,,,,,
COC(=O)c1ccccc1NC(=O)N1CCN(S(C)(=O)=O)CC1,CID16187417,,,,,,,,,,,,,,0.0,,,
COc1ccc(NC(=O)N2CCN(CCC#N)CC2)cc1,CID3230852,,,,,,,,,0.0,,0.0,0.0,,,,,
CCCN1CCN(C(=O)Nc2ccc(C(=O)OCC)cc2)CC1,CID972063,,,,,,,,,,,0.0,0.0,,,,,
CC(=O)c1cccc(NC(=O)N2CCN(S(C)(=O)=O)CC2)c1,CID971664,,,0.0,,,,,0.0,0.0,,,,,,,,0.0
COc1ccc(NC(=O)N2CCN(S(C)(=O)=O)CC2)cc1OC,CID970901,,,0.0,,,,,,,,,,,,,,
CCOC(=O)N1CCN(C(=O)Nc2cccc(Cl)c2)CC1,CID974392,,,,,,,,,,0.0,,,,,,,
CCN1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1,CID971790,0.0,,,,,,,,0.0,,,,,,,,0.0
NC(=O)CN1CCN(C(=O)Nc2ccccc2)CC1,CID1085718,,,,,,,0.0,,0.0,,,,,,,0.0,
CC(=O)N1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1,CID2116191,,,,0.0,0.0,,,,0.0,,,,,,,,
CCOC(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1,CID846928,0.0,0.0,,,,,,,,0.0,,,,,,0.0,
COc1ccc(Cl)cc1NC(=O)N1CCN(S(C)(=O)=O)CC1,CID2207151,,,,,,,,,,,,,0.0,,,,0.0
CCOC(=O)c1ccc(NC(=O)N2CCN(S(C)(=O)=O)CC2)cc1,CID2211034,,,0.0,0.0,,,,,0.0,,,,,0.0,,0.0,0.0
CC(c1ccccc1)n1cncc1C(=O)O,CID297427,,,,,,,,,,0.0,,,,0.0,,,
Cc1ncc([N+](=O)[O-])n1Cc1ccccc1,CID1080100,,,,,,,,,,,,,,,0.0,,
Cc1nc([N+](=O)[O-])c(NCCCO)n1Cc1ccccc1,CID2937679,,,,,,,,,,,,,,0.0,,,
CC(C)(C)NC(=O)CSc1nccn1Cc1ccccc1,CID800451,,0.0,,0.0,,,0.0,,,,,0.0,,,0.0,0.0,0.0
CCOC(=O)c1cncn1C(C)c1ccccc1,CID36339,,,,,,0.0,,,0.0,0.0,,,0.0,,0.0,0.0,
CCCCNC(=O)CSc1nccn1Cc1ccccc1,CID2849681,,,,,,,,,,,0.0,,0.0,0.0,0.0,0.0,0.0
CCCOc1ccc(Cn2ccnc2)cc1[N+](=O)[O-],CID2871806,,,,,,,,,,,,,,,0.0,,
COC(=O)CCSc1nccn1Cc1ccccc1,CID749671,,0.0,,0.0,,,0.0,0.0,,,,0.0,,,,,0.0
c1ccc(Cn2ccnc2)cc1,CID77918,,,,,,,,,,,,,0.0,,,0.0,
CCCOc1ccc(Cn2c(C)nc([N+](=O)[O-])c2SCC(O)COC)cc1[N+](=O)[O-],CID3100210,,,,,,,,,0.0,,,,,,,,
CCCCCCNC(=O)CSc1nccn1Cc1ccccc1,CID2852104,,,,,,0.0,,,,,,,,,,,
Cc1nc([N+](=O)[O-])c(NCCO)n1Cc1ccccc1,CID2836222,,,,,,,,,,,,,,,0.0,,
O=C(O)c1ncn(Cc2ccccc2)c1C(=O)O,CID170616,,,,,,,,0.0,,,,,,,,,
CCOc1ccc(Cn2c(C)nc([N+](=O)[O-])c2SCC(O)CCl)cc1[N+](=O)[O-],CID3100204,,,,,,,,,0.0,,0.0,,,,,,
COCC(O)CSc1c([N+](=O)[O-])nc(C)n1Cc1ccc(OC)c([N+](=O)[O-])c1,CID3087712,,,,,,,,,0.0,,,,,,,,
Cc1cc(C)nc(N2CCCC(C(=O)O)C2)n1,CID650474,,,,,,,0.0,,,,,,,,,,
COCCCNC(=O)C1CCN(c2ncccn2)CC1,CID651470,,,,0.0,,,,,0.0,,,,0.0,,,,
COC(=O)CNC(=O)C1CCN(c2nc(C)cc(C)n2)CC1,CID649308,,,0.0,,,0.0,0.0,0.0,0.0,,0.0,,,,,,
COCCNC(=O)C1CCCN(c2ncccn2)C1,CID645990,,,,0.0,,,,0.0,,,,,0.0,,,,
Cc1cc(C)nc(N2CCC(C(=O)O)CC2)n1,CID655810,,,,,,,,,,,0.0,,0.0,,,,
COCCCNC(=O)C1CCN(c2nc(C)cc(C)n2)CC1,CID648946,,,,0.0,,,,,,,,,,,,0.0,
CC(=O)c1cnc(N2CCCCC2)nc1C,CID667141,,0.0,0.0,,,,,,,,,,,,0.0,,
CCC(C)(C)NC(=O)C1CCN(c2nc(C)cc(C)n2)CC1,CID653435,,0.0,0.0,,,0.0,,0.0,,,,,,0.0,0.0,0.0,
Cc1cc(C)nc(N2CCCC(C(=O)NC(C)C)C2)n1,CID3224231,,,,,,,,,,,,,,,0.0,,
COc1cc(C)nc(N2CCC(C(N)=O)CC2)n1,CID649678,,0.0,,0.0,,0.0,0.0,,0.0,,,0.0,,,,,
CCOC(=O)CNC(=O)C1CCCN(c2ncccn2)C1,CID644802,,0.0,,0.0,,,,,,,0.0,,0.0,,,,
O=C(O)C1CCN(c2ncccn2)CC1,CID2767267,,,0.0,,,,,,,,,,,,,,
COc1cc(C)nc(N2CCCC(C(=O)NCC(C)C)C2)n1,CID3228706,,,,,,,,,,0.0,,,,,,,
CCCNC(=O)C1CCN(c2nc(C)cc(C)n2)CC1,CID655911,,,0.0,0.0,,,,,,,,,,,,,
CCC(C)NC(=O)C1CCN(c2nc(C)cc(C)n2)CC1,CID645777,,,0.0,0.0,,,,,,,,,,,,,0.0
Cc1nc2sc(C(c3ccccc3)N3CCOCC3)c(O)n2n1,CID3238845,,0.0,0.0,,0.0,,,,,,0.0,,,,,,
Cc1nc2sc(C(c3ccccc3)N3CC(C)OC(C)C3)c(O)n2n1,CID3240714,,,,0.0,,,,0.0,,,,,,,,,
COc1ccc(C(c2sc3nc(C)nn3c2O)N2CC(C)OC(C)C2)cc1OC,CID4299103,,,,0.0,,,,,,,,,,,,,
Cc1ccc(C(c2sc3nc(C)nn3c2O)N2CC(C)OC(C)C2)cc1,CID3237279,,,,,,,,,,,,,0.0,,,,
Cc1ccc(C(c2sc3nc(C)nn3c2O)N2CCOCC2)cc1,CID3237883,0.0,0.0,,0.0,0.0,0.0,,,,,0.0,,,,,,
Cc1nc2sc(C(c3ccc(Br)cc3)N3CC(C)OC(C)C3)c(O)n2n1,CID3238795,0.0,,,,,,,,0.0,,0.0,,,,,,
Cc1nc2sc(C(c3ccc(F)cc3)N3CCOCC3)c(O)n2n1,CID3242151,0.0,0.0,,,0.0,,,0.0,,0.0,,,,,,0.0,
Cc1nc2sc(C(c3cccc(F)c3)N3CC(C)OC(C)C3)c(O)n2n1,CID3236594,0.0,,,,,,,,,,,,,,,,
Cc1nc2sc(C(c3cccc(F)c3)N3CCOCC3)c(O)n2n1,CID3237227,0.0,0.0,,,0.0,,,0.0,,0.0,,,,,,0.0,
Cc1nc2sc(C(c3ccc(Cl)cc3)N3CCOCC3)c(O)n2n1,CID3240948,0.0,0.0,0.0,,0.0,,,,,,,,,,,,0.0
COc1cc(C(c2sc3nc(C)nn3c2O)N2CC(C)OC(C)C2)cc(OC)c1OC,CID3636451,,,,,0.0,,,,,0.0,0.0,,0.0,,,,
COc1cc(C(c2sc3nc(C)nn3c2O)N2CCOCC2)cc(OC)c1OC,CID3636450,,0.0,,,0.0,,,,,,,,,,,,
Cc1nc2sc(C(c3ccc(Cl)cc3)N3CC(C)OC(C)C3)c(O)n2n1,CID3240335,0.0,0.0,0.0,,0.0,,,,,,,0.0,0.0,,,,0.0
COc1cccc(C(c2sc3ncnn3c2O)N2CC(C)OC(C)C2)c1,CID3651965,,,,0.0,,,,,,,,,,,,0.0,
COc1ccc(C(c2sc3ncnn3c2O)N2CC(C)OC(C)C2)cc1OC,CID5310586,,,,,,,,0.0,,,,,,,,,
Cc1cccc(C(=O)N2CCc3ccccc3C2)c1[N+](=O)[O-],CID889659,,,,,,,,,,,,,,0.0,0.0,,
O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCc2ccccc2C1,CID776272,,,,,,,,,,,,,,0.0,,,
O=C(c1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1,CID776903,,,,,,,,,,,,,,0.0,0.0,,
O=C(c1ccccc1[N+](=O)[O-])N1CCc2ccccc2C1,CID692738,,,,,,,,,,,,,,,0.0,,
CN(C)c1cccc(C(=O)N2CCc3ccccc3C2)c1,CID690520,,,,,,0.0,,,,,,,,,,,
O=C(c1ccccc1Cl)N1CCc2ccccc2C1,CID587557,0.0,,,,,,,,,,,,,0.0,,0.0,
CN(c1ccc(C(=O)N2CCc3ccccc3C2)cc1)S(C)(=O)=O,CID951579,,,,,,,,,0.0,,,,,,,,
O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCc2ccccc2C1,CID895997,,,,,,,,,,,,,,0.0,,,
O=C(O)C1Cc2ccccc2CN1C(=O)c1ccccc1,CID570005,,,0.0,0.0,,,,,0.0,0.0,,,,,,,
Cc1ccccc1C(=O)N1CCc2ccccc2C1,CID576973,,,,,,0.0,,,0.0,,,,,,,,
CN(c1ccccc1C(=O)N1CCc2ccccc2C1)S(C)(=O)=O,CID970843,,,,,,,,0.0,0.0,,,0.0,,,,,
COc1cc2c(cc1OC)CN(C(=O)c1ccccc1C(=O)O)CC2,CID666118,,0.0,0.0,,,,0.0,0.0,,,,,,,,0.0,
O=C(c1cccc([N+](=O)[O-])c1)N1CCc2ccccc2C1,CID779524,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C(=O)N2Cc3ccccc3CC2C(=O)O)cc1,CID653458,,,,,,,0.0,,,0.0,,,0.0,,0.0,,
COC(=O)c1cc(C(=O)N2CCc3ccccc3C2)cc([N+](=O)[O-])c1,CID690568,,,,,,0.0,,,,,,,,,,,
COC(=O)c1cccc(NC(=O)CN2CCOCC2)c1,CID652508,,,,,0.0,0.0,,0.0,,,,,,,,,
NC(=O)c1ccccc1NC(=O)CN1CCOCC1,CID717339,,0.0,,,0.0,,,,,,,,,,,,
O=C(CN1CCOCC1)Nc1cc(Cl)ccc1Cl,CID735642,,,,,,,,,,,,,0.0,,,,
CC(=O)c1cccc(NC(=O)CN2CCOCC2)c1,CID737674,,,,,,0.0,,,,,,,,,,,
COC(=O)c1ccc(Cl)c(NC(=O)CN2CCOCC2)c1,CID1254111,,0.0,,,,,,,,0.0,0.0,,,,,0.0,0.0
COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN1CCOCC1,CID717935,,,,,0.0,,,,,,,,0.0,,,,
CCCCN(CCCC)S(=O)(=O)c1ccc(NC(=O)CN2CCOCC2)cc1,CID2975593,,,,,,,,,0.0,,,,,,,,
O=C(CN1CCOCC1)Nc1cc([N+](=O)[O-])ccc1Cl,CID2082921,,,,,,,,,,,,,,,0.0,,
O=C(CN1CCOCC1)Nc1cccc(Br)c1,CID2215384,0.0,,,,,,,,0.0,,,0.0,,,,0.0,0.0
O=C(CN1CCOCC1)Nc1ccccc1,CID201328,,,,,,,,,,,,0.0,,,,,
O=C(CN1CCOCC1)Nc1ccccc1C(=O)O,CID1113519,,,,,,,,,,,0.0,,,,,,
COC(=O)c1ccc(NC(=O)CN2CCOCC2)cc1,CID412753,,,0.0,,0.0,,0.0,,,,0.0,,,,,,
O=C(CN1CCOCC1)Nc1ccccc1Cl,CID963431,,,,,,,,,,0.0,,,,,,,
COC(=O)c1cc(NC(=O)CN2CCOCC2)cc(C(=O)OC)c1,CID772815,,,,,0.0,0.0,,0.0,,,,,,,,,
CCOC(=O)CN(C(=O)CN1CCOCC1)c1ccc(Br)cc1,CID654116,0.0,,,,,,0.0,,0.0,,0.0,,,0.0,,0.0,0.0
CCCn1c(SCC(=O)Nc2ccccc2C(=O)OC)nc2c1c(=O)n(C)c(=O)n2C,CID654904,,0.0,,,,,,0.0,,,,,,,,,0.0
CC(C)N(C(=O)CSc1nc2c([nH]1)c(=O)n(C)c(=O)n2C)c1ccccc1,CID2360952,,,0.0,,,,0.0,,0.0,,,,,,,,
COC(=O)c1ccccc1NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1C,CID1037742,,,,,,,,0.0,,,,,,,,,0.0
COCCn1c(SCC(=O)Nc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,CID3123505,,0.0,0.0,0.0,,,,,,,,,,,,,0.0
CC(C)n1c(SCC(=O)Nc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C,CID1175775,,,,,,,,,0.0,,,,,,,,
COc1ccc(OC)c(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C)c1,CID650357,,,,0.0,,,,0.0,,,,,,,,,0.0
CCn1c(SCC(=O)Nc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C,CID1071239,,,,,,,,,0.0,,,,,,0.0,,
CCOC(=O)c1ccccc1NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1C,CID651659,,,,0.0,,,,,,,,,,,,,
CCOc1ccc(OCC)c(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2CC)c1,CID652612,,,,,,,,,,,,,,,,0.0,
CCOc1ccc(OCC)c(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C)c1,CID645462,,,,,,,0.0,,,,,,,,,,0.0
CCc1ccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C)cc1,CID1321502,,0.0,,,,,,,0.0,,0.0,,,,,0.0,
CCn1c(SCC(=O)Nc2ccccc2C(=O)OC)nc2c1c(=O)n(C)c(=O)n2C,CID1269499,,,,,,,,,,,,,,,,,0.0
Cn1c(=O)c2c(nc(SCC(=O)Nc3ccccc3)n2C)n(C)c1=O,CID5308165,,0.0,,0.0,,,,,,0.0,,,,,0.0,0.0,
CCOc1ccc(OCC)c(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C(C)C)c1,CID646954,,,,,,,,0.0,,,0.0,,0.0,,,,
CCCn1c(SCC(=O)Nc2ccccc2C(=O)OCC)nc2c1c(=O)n(C)c(=O)n2C,CID644433,,,,,,,,0.0,,,,,,,,,0.0
CCOC(=O)CNC(=O)Cn1cnc2c(nnn2-c2ccc(C)cc2)c1=O,CID3236368,,0.0,,,,,,,,0.0,,,,,,,
CCOC(=O)C(CC)n1cnc2c(nnn2-c2ccc(C)cc2)c1=O,CID3245335,,0.0,,0.0,,,,,,,,,0.0,,,,0.0
COC(=O)C(C)n1cnc2c(nnn2-c2ccc(OC)cc2)c1=O,CID3244354,,0.0,,0.0,,0.0,,,,,,,0.0,,,,
CCOC(=O)C(C)n1cnc2c(nnn2-c2ccc(OC)cc2)c1=O,CID3235994,,,0.0,,,,,0.0,,,,,0.0,,,,
CCOC(=O)Cn1cnc2c(nnn2-c2ccc(C)cc2)c1=O,CID3241538,,,0.0,,,,,,0.0,,,,,,,,
CCOC(=O)CNC(=O)Cn1cnc2c(nnn2-c2ccc(F)cc2)c1=O,CID3239024,,,0.0,,,,,,,,,,,,,,
CCOC(=O)C(CC)n1cnc2c(nnn2-c2ccc(OC)cc2)c1=O,CID3237919,,,,,,,,,,,,,0.0,,0.0,,
CCOC(=O)Cn1cnc2c(nnn2-c2ccc(OC)cc2)c1=O,CID3236684,,0.0,0.0,0.0,,,0.0,0.0,,,,,,,,,
COC(=O)Cn1cnc2c(nnn2-c2ccc(C)cc2)c1=O,CID3241086,,,,,,,,0.0,,0.0,,,0.0,,,,
C=CCn1cnc2c(nnn2-c2ccc(OC)c(OC)c2)c1=O,CID7200072,,,,,,,,,,,,,,,0.0,,
COC(=O)C(C)n1cnc2c(nnn2-c2cccc(Cl)c2)c1=O,CID5310213,,,,0.0,,,,,,,,,0.0,,,,
CCOC(=O)CNC(=O)Cn1cnc2c(nnn2-c2cccc(Cl)c2)c1=O,CID3235926,,,0.0,0.0,,,0.0,,,,,,,,,,
CCOC(=O)C(C)n1cnc2c(nnn2-c2ccc(C)cc2)c1=O,CID3244530,,0.0,,,,0.0,,,,,,,,,,,
CCC(C(=O)OC)n1cnc2c(nnn2-c2ccc(OC)cc2)c1=O,CID3237229,,0.0,,,,,,,,,,,,0.0,,,
CCOC(=O)C(C)n1cnc2c(nnn2-c2cccc(Cl)c2)c1=O,CID5310280,,,,,,,,,,,,,0.0,,,,
CCCc1cc(=O)n2[nH]c(NCc3c(F)cccc3Cl)nc2n1,CID1265655,,0.0,,,,,0.0,,,,,,,,,0.0,
COc1cccc(CNc2nc3nc(C)cc(=O)n3[nH]2)c1,CID1834128,,,,,,0.0,,,,,,,,0.0,0.0,,
COc1ccccc1CNc1nc2nc(C)cc(=O)n2[nH]1,CID1264425,,0.0,,0.0,,,,,,,,,,,0.0,,
CCCc1cc(=O)n2[nH]c(NCc3ccc(Cl)cc3Cl)nc2n1,CID666420,0.0,0.0,,,,,,,,,,,0.0,,,,
COC(=O)Cc1c(C)nc2nc(NCc3cccc([N+](=O)[O-])c3)[nH]n2c1=O,CID1265354,,,,,,,,,0.0,,0.0,,,,,,
COc1ccccc1CNc1nc2nc(C)c(Cl)c(=O)n2[nH]1,CID667245,0.0,0.0,,,,,,,,,,,,,,0.0,
COc1ccccc1CNc1nc2nc(C)c(C)c(=O)n2[nH]1,CID666620,,0.0,,0.0,,,,,,,,0.0,,,0.0,,
CCCc1cc(=O)n2[nH]c(NCc3c(Cl)cccc3Cl)nc2n1,CID667280,0.0,0.0,,,,,,,,,,,0.0,,,,
COC(=O)Cc1c(C)nc2nc(NCc3ccc(Cl)cc3)[nH]n2c1=O,CID665869,,,,0.0,,,0.0,,,,,,,,0.0,,
CCCc1cc(=O)n2[nH]c(NCc3ccccc3Cl)nc2n1,CID666913,0.0,0.0,0.0,,,,0.0,,,,,,,,0.0,0.0,
CCOC(=O)c1cnc2nc(NCc3ccc(OC)c(OC)c3)[nH]n2c1=O,CID1266484,,,,0.0,,,,,0.0,,,,,,,,
CCCc1cc(=O)n2[nH]c(NCc3ccccc3F)nc2n1,CID666574,,,,0.0,,,,0.0,,,,,,,,,
COC(=O)Cc1c(C)nc2nc(NCc3c(F)cccc3Cl)[nH]n2c1=O,CID1265494,0.0,,,,,,0.0,,,,,,0.0,,,,
COc1ccc(CNc2nc3nc(C)c(Cl)c(=O)n3[nH]2)cc1OC,CID666029,0.0,0.0,,,,,,,,,,,,,0.0,,
Cc1ccccc1/C=N/N1CCN(c2ccccc2)CC1,CID761600,,,,,,,,,,,,,,,0.0,,
COc1cccc(/C=N/N2CCN(c3ccccc3OC)CC2)c1,CID877007,,,,,,,,,,,,0.0,,,,,
Cc1ccc(N2CCN(/N=C/c3ccccc3[N+](=O)[O-])CC2)cc1,CID727386,,,,,,,,,,,,,,,0.0,,
COc1cc(/C=N/N2CCN(c3ccccc3OC)CC2)ccc1OC(C)=O,CID5347845,,,,,,0.0,,,,,,,,,,,
O=[N+]([O-])c1ccc(/C=N/N2CCN(c3ccc(Cl)cc3)CC2)cc1,CID760590,,,,,,0.0,,,,,,,,,,,
COc1ccccc1N1CCN(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)CC1,CID5347956,,,,,,0.0,,,,,,,,,,,
O=[N+]([O-])c1ccccc1/C=N/N1CCN(c2ccccc2)CC1,CID761154,,,,,,,,,,,,,,,0.0,,
COc1ccccc1N1CCN(/N=C/c2ccc(OC)c(OC)c2OC)CC1,CID1185125,,,,,,,,,,,,,,0.0,,,
COc1ccc(/C=N/N2CCN(c3ccccc3OC)CC2)cc1OC,CID1353952,,,,,,,,,,,,0.0,,,0.0,,
COc1ccccc1N1CCN(/N=C/c2cc(OC)c(OC)c(OC)c2)CC1,CID1354089,,,,,,,,,,,,,,0.0,,,
Cc1ccc(/C=N/N2CCN(c3ccccc3)CC2)cc1,CID761162,,,,,,,,,,,,,,0.0,,,
C/C(=N\N1CCN(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1,CID761164,,,,,,,,,,,,,,,0.0,,
COc1ccccc1N1CCN(/N=C/c2cccc(O)c2)CC1,CID761167,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(/C=N/N2CCN(c3ccccc3OC)CC2)cc1OC,CID5347877,,,,,,0.0,,,,,,,,,,,
COc1ccc(CN2CC(C(=O)NCCCOC(C)C)CC2=O)cc1,CID3240116,,,,,,,,,,,0.0,,,,,,
O=C(O)C1CCC(=O)N1Cc1ccccc1Cl,CID3243387,,,,,,,,,,,,,,,,0.0,0.0
Cc1ccc(CN2C(=O)CCC2C(=O)NCCN(CC(C)C)CC(C)C)cc1,CID3236008,,,,0.0,,,0.0,,0.0,,,,0.0,,,,0.0
Cc1ccc(CN2C(=O)CCC2C(=O)NC(C)C)cc1,CID3245045,,,0.0,,0.0,0.0,0.0,,,,,,,,,,
CNC(=O)C1CCC(=O)N1Cc1ccccc1Cl,CID4062447,,,,,,,,,,,0.0,,,,,,
CCCCN(C)CCCNC(=O)C1CC(=O)N(Cc2ccc(OC)cc2)C1,CID3239400,,,,,0.0,,,,,,,,,,,,0.0
Cc1ccc(CN2CC(C(=O)O)CC2=O)cc1,CID2742110,,,,,,,,,,,0.0,,,,,,
Cc1ccc(N)cc1CN1CCCC1=O,CID3243205,,,0.0,,,,,0.0,,,,,,,,,
COCCCNC(=O)C1CC(=O)N(Cc2ccc(OC)cc2)C1,CID3243129,,,,0.0,,,,0.0,,,,,,,,,
CCC(C)NC(=O)C1(C)CCC(=O)N1Cc1ccccc1OC,CID3244266,,,,,,,0.0,0.0,,,,,0.0,,,,
CCC(C)NC(=O)C1CCC(=O)N1Cc1ccc(C)cc1,CID3237270,,,0.0,,0.0,0.0,,,,0.0,,,,0.0,,,0.0
CCc1ccc(CN2CC(C(=O)O)CC2=O)cc1,CID2967277,,,,,,,,,,0.0,,,,,,,
COCCCNC(=O)C1CCC(=O)N1Cc1ccccc1Cl,CID3245199,,,,,,,,,,,,,,,,0.0,
O=C(O)C1CC(=O)N(Cc2ccc(F)cc2)C1,CID2780702,,,,,,,,,,0.0,,,0.0,,,,
CCNC(=O)CCSc1nc2cc(Cl)ccc2o1,CID851296,,,,,,,,,,0.0,,,,0.0,,,
O=C(O)CSc1nc2ccccc2o1,CID684352,,,0.0,,,,0.0,,,,,,0.0,,,,
CCCOC(=O)Nc1nc2ccccc2o1,CID649500,,,0.0,,,,,,,,,,,,,0.0,
CCC(Sc1nc2ccccc2o1)C(=O)O,CID2872676,,,,,,,,,,,,,,0.0,0.0,,
C=CCNC(=O)Nc1ccc2oc(C)nc2c1,CID1728831,,,,0.0,,,,,,,0.0,0.0,,,,,
CC(Sc1nc2ccccc2o1)C(=O)O,CID644583,,,,0.0,,,,,,,,,,,,,
CCS(=O)(=O)CCSc1nc2ccccc2o1,CID893747,,,,,,,0.0,,,0.0,,,0.0,,0.0,,
CCc1nc2cc(CC(=O)O)ccc2o1,CID1478214,,,,,,,,,,,,0.0,,,,,
Cc1nc2cc(NC(=O)NCCCO)ccc2o1,CID2193932,,,,,,,,,,,,,,0.0,,,
CCCCOC(=O)Sc1nc2ccccc2o1,CID2202888,,,,,,0.0,0.0,,,,,,,,,,
Cc1nc2cc(CC(=O)O)ccc2o1,CID1478196,,,,,,0.0,,,,,,0.0,,,,,
COC(=O)CSc1nc2ccccc2o1,CID900993,,,,,0.0,,0.0,,,,,,0.0,,,,
CCCc1nc2cc(CC(=O)OC)ccc2o1,CID5260635,,,,,,0.0,,,,,,,,,,,
CN(C)S(=O)(=O)c1ccc2oc(SCC(=O)NCC(F)(F)F)nc2c1,CID2078633,,,,,0.0,,,,,,,,,,,,
CCOC(=O)c1c(N)n(-c2ccccc2O)c2nc3ccccc3nc12,CID744903,,,,,,0.0,,,,,,,,,,,
CCCNC(=O)c1c(N)n(-c2cc(OC)cc(OC)c2)c2nc3ccccc3nc12,CID662258,,,0.0,,,0.0,,0.0,0.0,,,,,,,0.0,0.0
CCOC(=O)c1c(N)n(-c2ccc(OC)cc2)c2nc3ccccc3nc12,CID1068911,,,,,,0.0,,,,,,,,,,,
C=CCNC(=O)c1c(N)n(-c2cccc(S(N)(=O)=O)c2)c2nc3ccccc3nc12,CID1923620,,,,,0.0,,,,,,,,,,,,
CCCNC(=O)c1c(N)n(-c2cccc(OC)c2)c2nc3ccccc3nc12,CID662418,,,0.0,,,,0.0,0.0,,,,,0.0,,,0.0,
COCCNC(=O)c1c(N)n(-c2ccccc2)c2nc3ccccc3nc12,CID1985178,,,,,,,,,0.0,,,,,,,,
CCOCCCNC(=O)c1c(N)n(-c2ccc(S(N)(=O)=O)cc2)c2nc3ccccc3nc12,CID1977834,,,,,,,,,,0.0,,,,,,,
CCN(CCO)c1ccc(-n2c(N)c(C(=O)OC)c3nc4ccccc4nc32)cc1,CID987473,,0.0,0.0,,,0.0,,,0.0,,0.0,,0.0,,,,
COCCCNC(=O)c1c(N)n(-c2cccc(S(N)(=O)=O)c2)c2nc3ccccc3nc12,CID659525,,,0.0,,,,0.0,,,,,,,,,,
CCC(=O)Nc1c(C#N)c2nc3ccccc3nc2n1-c1ccc(C)cc1,CID661221,,0.0,,,,,,0.0,,,0.0,,,,,,
COC(=O)c1c(N)n(-c2ccc(NC(C)=O)cc2)c2nc3ccccc3nc12,CID661044,,,0.0,,,,0.0,,,,,,0.0,,,,
COC(=O)c1c(N)n(-c2cc(OC)cc(OC)c2)c2nc3ccccc3nc12,CID2437467,,0.0,,,,,,0.0,,,,,,,,,0.0
CCC(=O)Nc1c(C#N)c2nc3ccccc3nc2n1-c1ccccc1C,CID658811,,,,,,,,,,,0.0,,,,,,
COCCNC(=O)c1c(N)n(-c2cccc(C)c2)c2nc3ccccc3nc12,CID659542,,,,,,0.0,,0.0,0.0,,,,,,,,
CCN(CC)c1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)cc1,CID1016167,,,,,,0.0,,,,,,,,,,,
COC(=O)c1ccccc1NC(=O)c1ccc(-c2cccc(Cl)c2)o1,CID2261646,,,,,,,,,,,,,,0.0,,,
COc1cccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1,CID944801,,,,,,,,,,,,,,0.0,,,
O=C(Nc1ccccc1)c1ccc(-c2ccc(Br)cc2)o1,CID2904011,,,,,,,,,0.0,,0.0,,,,,,
COC(=O)c1ccccc1NC(=O)c1ccc(-c2ccc(Br)cc2)o1,CID2282018,,,,,,,,,0.0,,0.0,0.0,,,,,
COc1ccccc1NC(=O)c1ccc(-c2ccc(Br)cc2)o1,CID1007339,,,,,,,,,0.0,,0.0,,,,0.0,,
COc1cc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)ccc1NC(=O)C(C)C,CID1048410,0.0,,,,,,0.0,,0.0,,0.0,,,,,0.0,
COC(=O)c1ccccc1NC(=O)c1ccc(-c2ccccc2F)o1,CID1253251,,,,0.0,,,,0.0,,,,,,,,,
N#Cc1ccccc1NC(=O)c1ccc(-c2ccccc2Cl)o1,CID944882,0.0,0.0,,,,,0.0,,,,,,0.0,,,,0.0
Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2ccc(Cl)cc2)o1,CID1363562,,,,,,0.0,,,,,,,,,,,
COc1ccccc1NC(=O)c1ccc(-c2ccccc2F)o1,CID1252154,,,,,,,,0.0,,0.0,,,,,,,
Cc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)c([N+](=O)[O-])c1,CID2886547,,,,,,0.0,,,,,,,,,,,
CC(=O)c1cccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1,CID1348408,,,,,,,,,,,,,,0.0,,,
O=C(Nc1ccccc1)c1ccc(-c2ccccc2Cl)o1,CID1351262,,,,,,,,,,,,,,0.0,,,
Cc1cccc2cc3c(NC(=O)C(C)C)nn(C)c3nc12,CID664901,,0.0,,,,0.0,0.0,,,,,0.0,0.0,,,,
CCCC(=O)Nc1nn(CCC)c2nc3ccccc3cc12,CID662899,,0.0,,0.0,,,,,,,,,,,,,
Cc1cccc2cc3c(NC(=O)CC(C)C)nn(C)c3nc12,CID664468,,0.0,,,,,,,,0.0,,,0.0,,,,
Cc1ccc2cc3c(NC(=O)C(C)C)nn(C)c3nc2c1,CID664911,,,0.0,,,0.0,0.0,0.0,,,,,0.0,,,0.0,
CCCn1nc(NS(C)(=O)=O)c2cc3cccc(C)c3nc21,CID665991,,0.0,,,,0.0,,0.0,0.0,,0.0,,,,,,
CCC(=O)Nc1nn(C)c2nc3c(C)cccc3cc12,CID664497,,0.0,,0.0,,,,0.0,,,,0.0,,,,,
CCCCC(=O)Nc1nn(C)c2nc3c(C)cccc3cc12,CID663802,,,,0.0,,,,0.0,,,,,,,,,
CCCn1nc(NC(=O)CC(C)C)c2cc3ccccc3nc21,CID662838,,,,,,,,,,,0.0,,0.0,,,,
CC(=O)Nc1nn(C)c2nc3cc(C)ccc3cc12,CID665224,,,0.0,0.0,,,,,,,,0.0,0.0,,,,
Cc1ccc2cc3c(NC(=O)CC(C)C)nn(C)c3nc2c1,CID665657,,,0.0,,,,,0.0,,,,,0.0,,,,
CC(C)Cn1nc(NC(=O)C(C)(C)C)c2cc3ccccc3nc21,CID662307,,,,,,,,,,,0.0,,,,,,
CCCC(=O)Nc1nn(C)c2nc3cc(C)ccc3cc12,CID665305,,,,,,0.0,,0.0,,,,,,,,,
CCCCC(=O)Nc1nn(CCC)c2nc3ccccc3cc12,CID665418,,,,,,,,0.0,,,,,,0.0,,,
CCCC(=O)Nc1nn(C)c2nc3c(C)cccc3cc12,CID663685,,0.0,,0.0,,,,0.0,,,,0.0,,,,,
CC(C)Oc1ccc(NC(=O)Oc2ccccc2)cc1,CID731079,,,0.0,,,,,0.0,,,0.0,,,,,0.0,0.0
CC(=O)Nc1ccc(OC(=O)N(C)c2ccccc2)cc1,CID2929611,,,0.0,,0.0,,0.0,0.0,,,0.0,0.0,,,,,
O=C(Nc1ccccc1)Oc1ccccc1,CID78644,,,,,,,,,0.0,,0.0,,,,,,
CCC(=O)c1ccc(OC(=O)N(C)c2ccccc2)cc1,CID969672,,,,,,,,,,,,,,0.0,,,
CC(=O)c1ccc(OC(=O)N(C)c2ccccc2)cc1,CID2929356,,,,,,,,,,,,,,0.0,0.0,,
COc1ccccc1NC(=O)Oc1ccc(C(C)=O)cc1,CID2112634,,,,,,0.0,,,0.0,,0.0,,,,0.0,,
CN(C)c1ccc(NC(=O)Oc2ccccc2)cc1,CID895662,,,,,,,,,,0.0,,,,0.0,,,
COc1ccc(OC(=O)Nc2ccccc2)cc1,CID29508,,,,,,,,,0.0,0.0,,,,,,,
CC(=O)c1ccc(NC(=O)Oc2ccccc2)cc1,CID806009,,,,,,,,,0.0,0.0,,,,,0.0,,
COC(=O)c1ccccc1NC(=O)Oc1ccc(F)cc1,CID3806842,,,,,,,,,,,,,,0.0,,,
CCCOC(=O)c1ccc(NC(=O)Oc2ccccc2)cc1,CID2788310,,,,,,,,,,,,,,0.0,0.0,,
CC(=O)c1cccc(NC(=O)Oc2ccccc2)c1,CID800830,,,,,,,,,0.0,,0.0,,,,0.0,0.0,0.0
CC(=O)Nc1ccc(NC(=O)Oc2ccccc2)cc1,CID737556,,,,0.0,,,0.0,,,,0.0,,,,,,
CCOC(=O)c1ccc(NC(=O)Oc2ccccc2)cc1,CID745537,,,,,,,,,0.0,,0.0,,0.0,,,0.0,
O=C1CSC(Nc2ccccc2Cl)=N1,CID1207332,,0.0,,,,,,,,,,,,,,,0.0
CCOc1ccc(NC2=NC(=O)C(CC(=O)O)S2)cc1,CID3821753,,,,,0.0,,,0.0,,,,,,,,,
CCOC(=O)c1ccc(NC2=NC(=O)CS2)cc1,CID2169998,,0.0,,,0.0,,,0.0,,,,,0.0,,,,0.0
O=C(O)CC1SC(Nc2cccc(O)c2)=NC1=O,CID3238272,,,,,0.0,,,,,0.0,,,,0.0,,0.0,
CC(=O)c1cccc(NC2=NC(=O)C(CO)(CO)S2)c1,CID660393,,0.0,,,,,,,,,,,,,,,
Cc1ccc(NC2=NC(=O)CS2)c(C)c1,CID1204236,,0.0,,0.0,0.0,,,,,0.0,,,0.0,,,,
CCOc1ccccc1NC1=NC(=O)CS1,CID660530,,,,,0.0,,0.0,0.0,,,,,,,,,
Cc1ccccc1NC1=NC(=O)CS1,CID2130349,,,,,0.0,,,,,,,,,,,,
Cc1ccc(NC2=NC(=O)C(CC(=O)O)S2)cc1,CID2936838,,,,,,,,,,,,,,,0.0,,
Cc1cccc(NC2=NC(=O)CS2)c1,CID609629,,,,0.0,0.0,,,,,,0.0,,,,,,
O=C1CSC(Nc2ccccc2)=N1,CID939880,,,,,,,,,,,0.0,,,,,,
O=C(O)CC1SC(Nc2cccc(C(F)(F)F)c2)=NC1=O,CID661721,,,,,0.0,,,,0.0,0.0,,,,,,,
Cc1ccc(C)c(NC2=NC(=O)CS2)c1,CID2356954,,,,,0.0,,,,,0.0,,,,0.0,,,
Cc1cccc(NC2=NC(=O)CS2)c1C,CID658934,,,,,0.0,,,0.0,,,,,,,,,
COCCn1c(CN2CC(C)CC(C)C2)nc2c1c(=O)n(C)c(=O)n2C,CID5202216,,0.0,0.0,,,,,,,,,,,,,,
CC(=O)Cn1c(CN2CC(C)CC(C)C2)nc2c1c(=O)n(C)c(=O)n2C,CID666639,,0.0,,,,,,0.0,,,,,,,,,
CCCCCCn1c(CN2CCCCC2)nc2c1c(=O)n(C)c(=O)n2C,CID3238554,,,,,,,,0.0,,,,,,,,,
CCOCCn1c(CN2CCCCC2C)nc2c1c(=O)n(C)c(=O)n2C,CID4318583,,,,,,,,0.0,,,,,,,,,
CC(C)Cn1c(CN2CCCCC2C)nc2c1c(=O)n(C)c(=O)n2C,CID4190625,,0.0,,,,,,0.0,,,0.0,,,,,,
CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CCC(C)C,CID5310172,,0.0,,,,,,,,,0.0,,,,,0.0,
CCOCCn1c(CN2CCCC(C)C2)nc2c1c(=O)n(C)c(=O)n2C,CID5310215,,0.0,0.0,,,,,0.0,,,,,,,,,
CCOCCn1c(CN2CCC(C)CC2)nc2c1c(=O)n(C)c(=O)n2C,CID4248268,,,,,,,,,,,,,0.0,,,,
CCCCCCn1c(CN2CCCCC2C)nc2c1c(=O)n(C)c(=O)n2C,CID3239259,,0.0,,,,,,,,,,,,,,,
CCCn1c(CN2CCCCC2C)nc2c1c(=O)n(C)c(=O)n2C,CID4577120,,0.0,,,,,,,,,,,,,,,
CCCCCn1c(CN2CCCCC2CC)nc2c1c(=O)n(C)c(=O)n2C,CID4163325,,0.0,,,,,,,,,,,,,,,
CCCCCn1c(CN2CCCCC2C)nc2c1c(=O)n(C)c(=O)n2C,CID3240684,,0.0,,,,0.0,,,,,,,,,,,
CCOCCn1c(CN2CCCCC2)nc2c1c(=O)n(C)c(=O)n2C,CID5069769,,,,0.0,,,,,,,,,,,,,
CCCn1c(CN2CCCCC2CC)nc2c1c(=O)n(C)c(=O)n2C,CID2990652,,,,,,,,,,0.0,,,0.0,0.0,,,
CC(=O)COc1ncn(-c2ccccc2)n1,CID1476944,,,,,,,,,0.0,,,0.0,,,,,
CCOC(=O)c1nc(C)n(-c2ccc(Cl)cc2Cl)n1,CID3314370,,,,,,,,,,,,0.0,,,,,
CC(=O)C(C)Oc1ncn(-c2ccccc2)n1,CID5132136,,,,,,,,,,,,0.0,,,,,
CC(=O)N(C)c1nc(N)n(-c2ccccc2)n1,CID801188,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C(=Cc1ccc(-n2cncn2)cc1)C(=O)OCC,CID3767571,,,,,,,,,,,,,,,0.0,,
O=Cc1ccc(-n2cncn2)cc1,CID2776488,,,,,,,,,,,,,,,0.0,,
Nc1nc(NC(=O)CCCC(=O)O)nn1-c1ccccc1,CID651209,,0.0,,0.0,,,0.0,,,,,,,,0.0,,
CC(=O)Nc1nc(N)n(-c2ccccc2)n1,CID719044,,,,,,,,,,,,,,0.0,0.0,,
COC(=O)c1ccc(-n2cncn2)c(F)c1,CID3789519,,,,,,0.0,,,,,,,,,,,
CN(C)C(=O)CSc1nc(SCC(=O)N(C)C)n(-c2ccccc2)n1,CID990981,0.0,,,0.0,,,,,,,,,,,,,0.0
Cc1nc(C(C)(C)O)n(-c2ccccc2)n1,CID659949,,0.0,0.0,0.0,,,,,,,,0.0,,0.0,,,
NC(=O)COc1ncn(-c2ccccc2)n1,CID1486531,,,,,,0.0,,,0.0,,,,,,,,
CCOC(=O)COc1ncn(-c2ccccc2)n1,CID1486530,,,,,,,,,0.0,,,,,,,,
Cc1nc(C(=O)N(C)C)nn1-c1cc(Cl)ccc1Cl,CID4269636,,,,,,,,,,,,,,0.0,,,
O=C(Nc1cccc(Cl)c1Cl)C1CCN(c2ncccn2)CC1,CID647017,0.0,,,,,,0.0,,,,,,0.0,,0.0,,
Cc1cc(C)cc(NC(=O)C2CCN(c3nc(C)cc(C)n3)CC2)c1,CID652244,,0.0,0.0,0.0,,,0.0,,,,,,,,,,
COc1cccc(NC(=O)C2CCN(c3ncccn3)CC2)c1,CID648975,,,0.0,0.0,,,,0.0,,,0.0,,,,0.0,,
Cc1cc(C)nc(N2CCC(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)n1,CID655169,0.0,,,,0.0,,,,,,,,,,,,
COc1ccc(OC)c(NC(=O)C2CCN(c3ncccn3)CC2)c1,CID653950,,0.0,,,,0.0,,,,,,,0.0,,,,
Cc1cccc(NC(=O)C2CCN(c3nccc(C)n3)CC2)c1,CID654462,,,,,,0.0,0.0,,,,,,,,0.0,,
CCC(C)c1ccc(NC(=O)C2CCN(c3ncccn3)CC2)cc1,CID3223155,,,,,,,,,,,,0.0,,,,,
CCOc1cc(C)nc(N2CCC(C(=O)Nc3ccccc3OCC)CC2)n1,CID644972,0.0,0.0,0.0,,,0.0,0.0,,0.0,0.0,,0.0,,,,,0.0
Cc1ccnc(N2CCC(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)n1,CID656200,0.0,,,,0.0,,,,,,,,,,,,0.0
COc1ccc(NC(=O)C2CCN(c3nc(C)cc(C)n3)CC2)cc1,CID3223253,,,,,,,,,,,0.0,,,,,,
Cc1cccc(NC(=O)C2CCN(c3nc(C)cc(C)n3)CC2)c1,CID647002,0.0,0.0,0.0,0.0,,,,,,,,,0.0,,,,
COc1ccccc1NC(=O)C1CCN(c2ncccn2)CC1,CID656115,,,,,,,,0.0,,,,,0.0,,0.0,,
CCOc1ccc(OCC)c(NC(=O)C2CCN(c3ncccn3)CC2)c1,CID649572,0.0,0.0,,0.0,,,0.0,0.0,0.0,,0.0,0.0,,,,,
COc1ccc(OC)c(NC(=O)C2CCN(c3nc(C)cc(C)n3)CC2)c1,CID648223,0.0,,0.0,,,,,,,,,0.0,0.0,,,,
CCc1ccccc1NC(=O)C(C)n1nc([N+](=O)[O-])c(Br)c1C,CID2980658,,,,,,,,,,,,0.0,,,,,
Cc1cc(C)n(CC(=O)Nc2ccccc2)n1,CID2053745,,,,,,0.0,,,,,,0.0,,,0.0,,
Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1ccc(C(C)C)cc1,CID1509690,,,,,,,,,,,,,,,0.0,,
CCNS(=O)(=O)c1ccc(NC(=O)Cn2nc(C(F)(F)F)cc2C)cc1,CID3244508,0.0,0.0,,,0.0,,,,,,,,,,,,0.0
COC(=O)c1ccccc1NC(=O)Cn1cc(Br)cn1,CID3244837,0.0,,,,,,,,,,,,,,,,0.0
Cc1nn(CC(=O)Nc2ccc(C#N)cc2)c(C)c1[N+](=O)[O-],CID2235753,,,,,,,,,,,,,,,0.0,,
Cc1cc(C(F)(F)F)nn1CC(=O)N(C)c1ccccc1,CID762228,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C)c(NC(=O)Cn2nc([N+](=O)[O-])c(Br)c2C)c1,CID1259574,,,,,,,,,,,,,,,0.0,,
Cc1ccc(NC(=O)Cn2nc(C)cc2C)cc1,CID646504,,0.0,0.0,,,,0.0,,,,,,0.0,,,0.0,
CCc1ccc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1,CID2437475,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1C,CID1251996,,,,,,,,,,,,,,0.0,0.0,,
Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1ccc(CC#N)cc1,CID1510434,,,,,,,,,,,,,,,0.0,,
CC(=O)c1ccc(NC(=O)Cn2nc(C)cc2C)cc1,CID747498,,0.0,,,,0.0,,,0.0,,,,,,,,
Cc1nn(CC(=O)Nc2ccc(C(C)C)cc2)c(C)c1[N+](=O)[O-],CID2235553,,,,,,,,,,,,,,0.0,,,
COc1cc(OC)cc(-c2nnc(SCC(=O)N3CCCCC3)o2)c1,CID1172978,0.0,,,,,,,0.0,,,,,,0.0,,,0.0
COc1ccccc1-c1nnc(SCC(=O)N2CCC(C)CC2)o1,CID866852,0.0,,0.0,,0.0,,,,,,0.0,,0.0,0.0,,,
CC1CC(C)CN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)C1,CID4655947,0.0,0.0,,,0.0,0.0,,,,,,0.0,,,,0.0,
COc1ccc(-c2nnc(SCC(=O)N3CCCCC3)o2)cc1OC,CID1164109,0.0,,0.0,,,,,,,,0.0,,0.0,,,,0.0
Cc1ccc(-c2nnc(SCC(=O)N3CC(C)CC(C)C3)o2)cc1C,CID4250925,0.0,,,,0.0,,,,,,,,,,,0.0,
COc1ccccc1-c1nnc(SCC(=O)N2CC(C)CC(C)C2)o1,CID3238658,,,0.0,,0.0,,,,,,,,,,,,
COc1ccc(-c2nnc(SCC(=O)N3CCCCC3)o2)c(OC)c1,CID645460,0.0,,,,,,,0.0,,0.0,0.0,,0.0,,,,0.0
COc1cccc(-c2nnc(SCC(=O)N3CC(C)CC(C)C3)o2)c1,CID4234394,,,,,0.0,,,0.0,,,,,0.0,,,,
O=C(CSc1nnc(-c2ccccc2Cl)o1)N1CCCCC1,CID855628,0.0,,,0.0,0.0,,,,,0.0,,,0.0,,,,0.0
CCC1CCCCN1C(=O)CSc1nnc(-c2cccc(Cl)c2)o1,CID4348050,0.0,0.0,,,0.0,,,,,,,,0.0,,,,
COc1ccc(-c2nnc(SCC(=O)N3CCCC(C)C3)o2)c(OC)c1,CID651718,0.0,0.0,0.0,,0.0,0.0,,0.0,,,,,0.0,,,,
CC1CC(C)CN(C(=O)CSc2nnc(-c3ccc(F)cc3)o2)C1,CID3154054,,,,0.0,,,,,,,,,,,,0.0,0.0
CCC1CCCCN1C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1,CID3147955,0.0,0.0,,0.0,0.0,0.0,0.0,,,,,0.0,0.0,,,,0.0
CCC1CCCCN1C(=O)CSc1nnc(-c2ccc(OC)cc2)o1,CID3186454,0.0,0.0,,,0.0,,,,,,,,0.0,,,0.0,
CSc1nc2ccccc2n1CC(=O)Nc1ccccc1,CID690626,,0.0,,,,,0.0,,,,0.0,,,,0.0,0.0,0.0
CCSc1nc2ccccc2n1CC(=O)Nc1ccc(F)cc1,CID742280,,,,,,0.0,,,,,,,,,,,
COC(=O)c1ccccc1NC(=O)Cn1cnc2cc(C)c(C)cc21,CID770793,,0.0,,,0.0,0.0,,,0.0,,0.0,0.0,0.0,,,,
CSc1nc2ccccc2n1CC(=O)Nc1ccc(C)c(C)c1,CID700337,,0.0,0.0,,,,0.0,,,,,,,,0.0,,0.0
CCOC(=O)c1cccc(NC(=O)Cn2c(CC(=O)NC)nc3ccccc32)c1,CID656250,,,,,,,,0.0,,,,,,,,,
CSc1nc2ccccc2n1CC(=O)Nc1c(C)cccc1C,CID690625,,,,,,,,,,,,0.0,,,,,
CCOCN(C(=O)Cn1cnc2ccccc21)c1c(C)cccc1CC,CID1831651,,,,,,,,,,,,,,,0.0,,
CCc1cccc(CC)c1N(COC)C(=O)Cn1c(C(C)O)nc2ccccc21,CID654669,,,0.0,,0.0,0.0,,0.0,,,0.0,,,,,,
CCc1cccc(C)c1N(C(=O)Cn1c(CO)nc2ccccc21)C(C)COC,CID2919679,,,,,,,,,0.0,,,,,,,,
O=C(Cn1c(CO)nc2ccccc21)Nc1ccccc1Cl,CID4779873,,,,,,,,,,,,,,0.0,,,
CCSc1nc2ccccc2n1CC(=O)Nc1c(C)cccc1C,CID578791,,,,,,0.0,,,,,,,,,,,
CCOCN(C(=O)Cn1c(CO)nc2ccccc21)c1c(C)cccc1CC,CID2904617,,,0.0,,,0.0,,,0.0,,,,,,,,
CCc1ccc(NC(=O)Cn2c(SC)nc3ccccc32)cc1,CID644926,0.0,,0.0,,,,,,0.0,,,,,,,0.0,0.0
CCc1cccc(CC)c1N(COC)C(=O)Cn1c(CO)nc2ccccc21,CID645478,,,,0.0,,,0.0,,0.0,,,,,,,,
COc1ccccc1NC(=O)CN1C(=O)C(C)Oc2ccccc21,CID649494,,,0.0,,0.0,,0.0,0.0,,,0.0,0.0,,,,0.0,0.0
COc1ccc(NC(=O)CN2C(=O)C(C)Oc3ccccc32)cc1,CID646752,,0.0,0.0,,0.0,,0.0,,,,,,0.0,,0.0,0.0,
CCC1Oc2ccccc2N(CC(=O)Nc2ccc(OC)cc2OC)C1=O,CID645202,,,,,,,,,,,,0.0,,,,,0.0
CCC1Oc2ccccc2N(CC(=O)Nc2ccccc2OC)C1=O,CID653285,,,0.0,,0.0,0.0,,0.0,0.0,,,0.0,0.0,,,0.0,
CC(=O)c1cccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)c1,CID2228683,,0.0,0.0,,,,,,,0.0,,,,,,0.0,
Cc1ccccc1NC(=O)CN1C(=O)COc2ccc(Cl)cc21,CID954220,0.0,,,,,0.0,,,,0.0,,,,,,0.0,0.0
CC(=O)c1ccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)cc1,CID1091399,,0.0,,,,,,,,0.0,,,0.0,,,0.0,0.0
Cc1cccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)c1C,CID1091395,0.0,0.0,,,,,0.0,,,0.0,,,,,,0.0,
O=C(CN1C(=O)COc2ccccc21)Nc1ccc(F)cc1,CID944995,,,,,,,,0.0,,,,,,,0.0,,
CCOc1ccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)cc1,CID1091396,0.0,,,,,0.0,,,,,,,0.0,,,,0.0
COc1cccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)c1,CID954212,0.0,0.0,,0.0,,0.0,,,,,0.0,,,,,0.0,0.0
COc1ccc(NC(=O)CN2C(=O)C(C)Oc3ccccc32)c(OC)c1,CID647875,,,0.0,,,,,,,0.0,,0.0,,,,,
Cc1cccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)c1,CID967787,0.0,0.0,,0.0,,,,,,0.0,,,0.0,,,0.0,0.0
CCOc1ccccc1NC(=O)CN1C(=O)COc2ccc(Cl)cc21,CID1091403,0.0,,,,,0.0,0.0,,,0.0,,,,,,,
CCc1ccc(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)o1,CID829894,,,,0.0,0.0,,0.0,,,,,,,,,0.0,
CCc1ccc(CCC(=O)Nc2ccccc2C(=O)O)o1,CID829892,,,,,,0.0,,,0.0,,,,,,0.0,,
Cc1ccc(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)o1,CID2887620,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1ccc(NC(=O)CCc2ccc(CC)o2)cc1,CID652808,,,,,,0.0,0.0,0.0,,0.0,,,0.0,,,0.0,0.0
CCc1ccc(CCC(=O)Nc2ccc(C)c(C)c2)o1,CID938834,,,,,,,,,,,,,,,,,0.0
COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCc1ccc(C)o1,CID2146372,,,,,,,0.0,,0.0,,,,,0.0,,0.0,
COC(=O)c1ccc(C(=O)OC)c(NC(=O)CCc2ccc(C)o2)c1,CID947363,,,,,,,,0.0,,,,,0.0,,,,
CCc1ccc(CCC(=O)Nc2ccc(C(C)=O)cc2)o1,CID941877,,,,,,,,,0.0,0.0,,,,,0.0,,
CCc1ccc(CCC(=O)Nc2ccc(OC)cc2)o1,CID940787,,,,,,,,,,0.0,,0.0,,,,,
Cc1cccc(NC(=O)CCc2ccc(C)o2)c1,CID654493,,0.0,,,,,,0.0,0.0,0.0,0.0,,,,,0.0,
CCOc1ccccc1NC(=O)CCc1ccc(C)o1,CID2146364,,0.0,,,,,0.0,0.0,,0.0,,,0.0,,,0.0,0.0
Cc1ccc(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)o1,CID2146366,,,,,0.0,,,0.0,,0.0,,,,0.0,,0.0,
CCc1ccc(CCC(=O)Nc2ccc(C)cc2C)o1,CID945821,,,,,,,0.0,,0.0,,0.0,,,,,,0.0
CCOC(=O)c1ccc(NC(=O)CCc2ccc(C)o2)cc1,CID2146365,,,,,,0.0,0.0,0.0,,,,,,,,0.0,0.0
CN(C(=O)c1ccccc1)c1nc2ccccc2s1,CID646668,,,,,,,,,,,,0.0,,,0.0,,0.0
COc1cccc(OC)c1C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1,CID659935,,,,,0.0,,0.0,,0.0,0.0,,,,0.0,,,
COc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)sc2c1,CID1356009,,,,,,0.0,,,,,,,,,,,
COC(=O)c1cc(C(=O)Nc2nc3ccccc3s2)cc([N+](=O)[O-])c1,CID1202373,,,,,,0.0,,,,,,,,,,,
COc1ccccc1C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1,CID1108314,,,,,0.0,,0.0,,,,,,0.0,,0.0,,
COc1cccc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c1,CID1108315,,,,,,,,,,,,,,0.0,0.0,,
CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2c1,CID2266570,,,,,,0.0,,,,,,,,,,,
CS(=O)(=O)c1ccc2nc(NC(=O)c3ccccc3)sc2c1,CID694930,,,,,,0.0,,,,,,,,,,,
COc1ccc(OC)c2sc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nc12,CID2159327,,,0.0,0.0,0.0,,0.0,,,,0.0,,,,,,
COc1ccc(Cl)cc1C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1,CID1371049,,,,,,,,,,,,,,0.0,,,
O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccc(F)c1,CID579421,,,,,,0.0,,,,,,,,,,,
Nc1ccc(C(=O)Nc2nc3ccccc3s2)cc1,CID37560,,,,,,,,,,,0.0,0.0,,,,,
COc1ccc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1,CID1147591,,,,,,,,,,0.0,0.0,,,0.0,0.0,,
COc1ccc(C(=O)Nc2nc3ccccc3s2)c(OC)c1,CID788928,,,,,,0.0,,,,,,,,,,,
Cc1cccc(C(=O)N2CCN(c3ccccn3)CC2)c1,CID772234,,,,,,,,,,,,,,,0.0,,
O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2ccccn2)CC1,CID883780,,,,,,,,,,,,,,,0.0,,
COc1ccc(Cl)cc1C(=O)N1CCN(c2ccccn2)CC1,CID975496,,,,,,,,,,,,,,0.0,,,
O=C(c1c(Cl)cccc1Cl)N1CCN(c2ccccn2)CC1,CID891334,0.0,,,,,,,,,,,,,,,,
O=C(c1cccc(Cl)c1)N1CCN(c2ccccn2)CC1,CID870370,,,,,,,,,,,,0.0,,,,,0.0
O=C(c1cccc(Cl)c1Cl)N1CCN(c2ccccn2)CC1,CID1246103,,,,,,,,,,,,,0.0,,,,
Cc1c(C(=O)N2CCN(c3ccccn3)CC2)cccc1[N+](=O)[O-],CID878074,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1[N+](=O)[O-],CID878223,,,,,,,,,,,,,,,0.0,,
O=C(c1cc(Cl)ccc1Cl)N1CCN(c2ccccn2)CC1,CID895149,,0.0,0.0,,,,,,,,,,,,,,
COc1cccc(OC)c1C(=O)N1CCN(c2ccccn2)CC1,CID973595,,,,,,,,0.0,,,,,0.0,,,,
COc1ccccc1C(=O)N1CCN(c2ccccn2)CC1,CID800911,,0.0,,,,,,0.0,,,,,,,,,
Cc1ccccc1C(=O)N1CCN(c2ccccn2)CC1,CID706992,,,,,,0.0,,,,,,,,,,,
O=C(c1ccccc1Cl)N1CCN(c2ccccn2)CC1,CID772276,0.0,,0.0,0.0,,,,,,,,,0.0,,,0.0,0.0
Cc1cc(C)cc(C(=O)N2CCN(c3ccccn3)CC2)c1,CID912542,,,,,,,,,,,,,,,0.0,,
CN(C)c1oc(-c2ccccc2Cl)nc1S(=O)(=O)c1ccccc1,CID1379996,0.0,0.0,,,0.0,,,,,0.0,,,,,0.0,,
COc1cc(-c2nc(S(=O)(=O)c3ccc(C)cc3)c(N(C)C)o2)cc(OC)c1OC,CID2401357,,,0.0,,0.0,,,0.0,,,0.0,,,,,0.0,
CCCCNc1oc(-c2ccc(OC)cc2)nc1S(=O)(=O)c1ccccc1,CID2219687,,,,,,,,,,,0.0,,,,,,
COc1cc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(N(C)C)o2)cc(OC)c1OC,CID1303787,0.0,,0.0,,0.0,,,,,,,,,,,,
Cc1ccc(S(=O)(=O)c2nc(-c3ccc(F)cc3)oc2SCC(N)=O)cc1,CID2052978,,,,,0.0,,,,,,,,,,,,
CCSc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccccc1,CID751371,,,,,,,,,0.0,0.0,,0.0,,0.0,,,
CSc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(C)cc1,CID751373,,,0.0,,,,0.0,,0.0,,,,0.0,,0.0,,
CSc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccccc1,CID751375,,,,,,,0.0,,,,,,,,,,
CSc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(F)cc1,CID2052969,,,,,,,,,,,0.0,,,,,,
COc1ccccc1-c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(N(C)C)o1,CID1316457,0.0,0.0,,0.0,0.0,,,,,0.0,,,0.0,,,,0.0
CN(C)c1oc(-c2ccc(Cl)cc2)nc1S(=O)(=O)c1ccccc1,CID987229,,,,,,,,,,,,,,,0.0,,
NC(=O)CSc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccccc1,CID3242146,,,0.0,,0.0,,,,,0.0,0.0,,,,,,
CSc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(F)cc1,CID3315279,0.0,,,,0.0,,,,,,,,,,,,
CCNc1oc(-c2ccc(OC)cc2)nc1S(=O)(=O)c1ccc(Br)cc1,CID1244759,,,,,,,,,0.0,,0.0,,,,,,
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OCC(C)C)cc2)C1c1ccncc1,CID5389713,,,,,,0.0,,0.0,,,,,,,,,
CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(OCC(C)C)cc2)C1c1ccncc1,CID5389699,,,,,,0.0,,0.0,,,,,,,,,
C=CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCOC)C2c2ccncc2)cc1,CID5389829,,,,,,,,,0.0,,,,,,,,
COCCN1C(=O)C(=O)/C(=C(/O)c2cccc(OC)c2)C1c1ccncc1,CID5768891,,,,,,0.0,,,,,,,,,,,
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC(C)C)c(C)c2)C1c1ccncc1,CID5768421,,,,,,0.0,,,,,,,,,,,
CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)C2c2ccncc2)cc1,CID5389370,,,,0.0,,,,,,,,,,,,,
CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC(C)C)cc2)C1c1ccncc1,CID5389230,,,0.0,,,,0.0,,,,,,0.0,,,,
CC(C)COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)C2c2ccncc2)cc1,CID5389914,,,,,,,,0.0,,,,,,,,,
CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(CC)CC)C2c2ccncc2)cc1,CID5389738,,0.0,,,,,,,,,,,,,,,
CCOc1cccc(/C(O)=C2/C(=O)C(=O)N(CCOC)C2c2ccncc2)c1,CID6398919,,0.0,,,,,,0.0,,,,,,,,,
CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N(C)C)cc2)C1c1ccncc1,CID5310832,,,,,,,,,,,,,,,,0.0,
CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)C1c1ccncc1,CID5310599,,,,,,,0.0,,,,,,,,,,
CCCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCOC)C2c2ccncc2)cc1,CID5389904,,,,,,,,,,,,,0.0,,,,
CCCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCOC)C2c2ccncc2)cc1C,CID5310735,,,0.0,,,0.0,0.0,0.0,,,0.0,,,,,0.0,
CCOC(=O)N1CCN(CC(=O)Nc2ccc(C)cc2)CC1,CID598594,,,,,,,,,0.0,,,,,,,,
O=C(CN1CCNCC1)Nc1ccccc1Cl,CID2531869,0.0,,,,,,,,,,,,0.0,,,0.0,
Cc1ccc(Cl)c(NC(=O)CN2CCN(C=O)CC2)c1,CID2397165,,,,,,,,,,,,,,0.0,,,
CN(C)S(=O)(=O)N1CCN(CC(=O)Nc2cc(Cl)ccc2Cl)CC1,CID2216935,,,0.0,,,,,,,,,,,,,,
CCOC(=O)N1CCN(CC(=O)Nc2ccc(OC)cc2)CC1,CID650146,,,,,,,0.0,,,,,,,,,,
Cc1cc(C)c(NC(=O)CN2CCN(C)CC2)c(C)c1,CID796471,,,,0.0,,0.0,0.0,,,,,,0.0,,,,
COC(=O)CC(C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1)N1CCN(C)CC1,CID2960648,,,,,,,,,,0.0,,,,,,,
Cc1cccc(C)c1NC(=O)CN1CCNCC1,CID2608606,,,,,,,,,,,,0.0,,,,,
CCOC(=O)N1CCN(CC(=O)Nc2cccc(Br)c2)CC1,CID2574198,,,,,,,,,0.0,,,0.0,,,,,
CCN1CCN(CC(=O)Nc2cc(F)ccc2C)CC1,CID644593,,,,,,0.0,,,,,0.0,0.0,,,,,
CN1CCN(CC(=O)Nc2ccc(Cl)cc2Cl)CC1,CID1250898,0.0,,,0.0,,,,,,,,,,,,,
COC(=O)c1ccc(Cl)c(NC(=O)CN2CCN(C)CC2)c1,CID1255449,,,,,,,,,,0.0,0.0,,,,0.0,,
CC(=O)N1CCN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)CC1,CID2697568,,,,,,,0.0,,,,,,,,,,
Cc1c(Cl)cccc1NC(=O)CN1CCN(CCO)CC1,CID891662,0.0,0.0,,,,,0.0,,,,,,,,,0.0,
COC(=O)c1ccc(C(=O)OC)c(NC(=S)N2CCN(c3cc(Cl)ccc3C)CC2)c1,CID1830168,,,,,,,,,,,,,,,0.0,,
COc1ccc(N2CCN(C(=S)Nc3cc(C)cc(C)c3)CC2)cc1,CID1076543,,,,,,0.0,,,,,,,,,,,
COc1ccc(N2CCN(C(=S)Nc3cccc(C)c3C)CC2)cc1,CID1076542,,,,,,0.0,,,,,,,,,,,
CCOc1ccccc1N1CCN(C(=S)Nc2ccc(S(N)(=O)=O)cc2)CC1,CID1298156,,,,,,,,,,,,,,0.0,,,
CC(=O)c1ccc(N2CCN(C(=S)Nc3cccc(F)c3)CC2)cc1,CID1295978,,,,,,,,,,,,,,,0.0,,
COc1ccc(N2CCN(C(=S)Nc3cccc(C)c3)CC2)cc1,CID797119,,,,,,0.0,,,,,,,,,,,
COc1cccc(N2CCN(C(=S)Nc3cccc(C)c3)CC2)c1,CID858840,,,,,,0.0,,,,,,,,,,,
CC(=O)c1ccc(N2CCN(C(=S)Nc3ccccc3C(F)(F)F)CC2)cc1,CID2207364,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccc(C(=O)OC)c(NC(=S)N2CCN(c3ccccc3)CC2)c1,CID1940329,,,,,,,,,,,,,,0.0,,,
O=[N+]([O-])c1ccc(NC(=S)N2CCN(c3ccc(F)cc3)CC2)cc1,CID2897332,,,,,,,,,,,,0.0,,,,,
COc1ccc(N2CCN(C(=S)Nc3cc(C)ccc3C)CC2)cc1,CID1075985,,,,,,0.0,,,,,,,,,,,
CC(=O)c1ccc(N2CCN(C(=S)Nc3cccc(Cl)c3)CC2)cc1,CID2107050,,,,,,,,,,,,,,,0.0,,
Cc1ccc(N2CCN(C(=S)Nc3ccccc3)CC2)cc1,CID764351,,,,,,,,,,,,,,,0.0,,
COC(=O)Cc1ccc(NC(=S)N2CCN(c3cc(Cl)ccc3C)CC2)cc1,CID2197219,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(NC(=O)c2cc3cc(OC)ccc3oc2=O)cc1,CID712638,,,,,,0.0,,,,,,,,,,,
CCN(C(=O)c1cc2cc(OC)ccc2oc1=O)c1ccccc1,CID878147,0.0,0.0,,0.0,,,0.0,,0.0,,,,,0.0,0.0,0.0,
COc1ccc2oc(=O)c(C(=O)Nc3cccc(Cl)c3C)cc2c1,CID712625,,,,,,0.0,,,,,,,,,,,
CCN(C(=O)c1cc2cc(OC)ccc2oc1=O)c1cccc(C)c1,CID970182,,,,,,,,,,,,,,,0.0,,
CCc1ccccc1NC(=O)c1cc2cc(OC)ccc2oc1=O,CID749758,,,,,,0.0,,,,,,,,,,,
COc1ccc2oc(=O)c(C(=O)Nc3ccc(C(C)=O)cc3)cc2c1,CID740904,,,,,,0.0,,,,,,,,,,,
COc1ccc2oc(=O)c(C(=O)Nc3ccccc3F)cc2c1,CID747313,,,,,,0.0,,,,,,,,,,,
O=C(O)c1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)cc1,CID1161060,,,,,,0.0,,,,,,,,,,,
Cc1cccc(C(C)C)c1NC(=O)c1cc2ccccc2oc1=O,CID710753,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C)c(NC(=O)c2cc3ccccc3oc2=O)c1,CID724193,,,,,,0.0,,,,,,,,,,,
CCN(C(=O)c1cc2ccccc2oc1=O)c1cccc(C)c1,CID2242832,,,,,,0.0,,,0.0,,,,,0.0,,,
CCN(C(=O)c1cc2ccccc2oc1=O)c1ccccc1,CID739281,,,,,,,,,0.0,,,,,,0.0,,
C=CCc1cccc2cc(C(=O)Nc3ccc(CC(=O)O)cc3)c(=O)oc12,CID1262781,,,,,,,,,,,,,,,0.0,,
CCN(C(=O)c1cc2cccc(OC)c2oc1=O)c1ccccc1,CID1259476,,,,,,,,,0.0,,0.0,0.0,0.0,,0.0,0.0,
CCCN1Cc2cccc(C(=O)Nc3ccc(OC)c(OC)c3)c2C1=O,CID3236167,0.0,,0.0,,,,,,,,,,,,,,
CCCN1Cc2cccc(C(=O)Nc3ccc(CC)cc3)c2C1=O,CID9551006,,,,,,,,,,0.0,,,,,,,
CCCN1Cc2cccc(C(=O)Nc3cc(OC)cc(OC)c3)c2C1=O,CID3242093,,,,,,,0.0,0.0,,,,,,,,,
COCCN1Cc2cccc(C(=O)Nc3ccc(C)c(C)c3)c2C1=O,CID3238535,,,0.0,,0.0,,,,0.0,,,,,,,,
CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cccc3c2C(=O)N(CCOC)C3)cc1,CID3235931,,,0.0,0.0,,,0.0,,,,,,,,,,0.0
COCCN1Cc2cccc(C(=O)Nc3cccc(OC)c3)c2C1=O,CID3235877,,,0.0,,,,0.0,,0.0,,,,,,,,
CCOc1ccc(NC(=O)c2cccc3c2C(=O)N(CCOC)C3)cc1,CID9550362,,,,,,,,,,,0.0,,,,,,
CCOc1ccccc1NC(=O)c1cccc2c1C(=O)N(CCOC)C2,CID5307500,,,,0.0,,,0.0,,,,,,0.0,,,,
COCCN1Cc2cccc(C(=O)Nc3c(C)cccc3C)c2C1=O,CID3236407,,0.0,,,,,,0.0,,,0.0,,0.0,,,,0.0
COCCN1Cc2cccc(C(=O)Nc3cccc(C)c3C)c2C1=O,CID3243421,,,,,0.0,,,0.0,,,0.0,,,,,,0.0
COCCN1Cc2cccc(C(=O)Nc3ccccc3OC)c2C1=O,CID3239814,,,,,,,,,0.0,,,,0.0,,,,
COCCN1Cc2cccc(C(=O)Nc3c(C)cc(C)cc3C)c2C1=O,CID3244972,,,,,0.0,,,0.0,0.0,,,,,0.0,,,0.0
COCCN1Cc2cccc(C(=O)Nc3cc(OC)ccc3OC)c2C1=O,CID3238396,,,,,,,,,,,,,0.0,,,,
COCCN1Cc2cccc(C(=O)Nc3cc(C)cc(C)c3)c2C1=O,CID3237810,,0.0,0.0,,0.0,0.0,,0.0,0.0,,0.0,,,,,,0.0
Cc1nc(SCC(=O)Nc2ccc(C)c(F)c2)c2oc3ccccc3c2n1,CID665555,0.0,0.0,0.0,,0.0,0.0,0.0,,,0.0,,,,,,0.0,0.0
COc1ccccc1NC(=O)CSc1ncnc2c1oc1ccccc12,CID664681,0.0,,0.0,0.0,0.0,0.0,,,0.0,,0.0,,0.0,,,0.0,
O=C(CSc1ncnc2c1oc1ccccc12)Nc1cccc(Cl)c1,CID663400,0.0,,,0.0,0.0,,,,,,,0.0,,,,,0.0
O=C(CSc1ncnc2c1oc1ccccc12)Nc1cccc(C(F)(F)F)c1,CID2158328,0.0,,,,0.0,,,0.0,,0.0,,,,,,,
Cc1nc(SCC(=O)Nc2cccc(F)c2)c2oc3ccccc3c2n1,CID664089,,0.0,0.0,0.0,0.0,0.0,,,,,,,,,,0.0,0.0
COc1ccc(Cl)cc1NC(=O)CSc1ncnc2c1oc1ccccc12,CID664274,0.0,0.0,0.0,0.0,0.0,,,,,,,,,,,,0.0
Cc1cccc(NC(=O)CSc2ncnc3c2oc2ccccc23)c1,CID3452486,0.0,,0.0,,0.0,,,0.0,,,,,,,,,0.0
Cc1nc(SCC(=O)Nc2ccccc2)c2oc3ccccc3c2n1,CID664361,0.0,,,,0.0,,,0.0,,,,,0.0,,,0.0,
Cc1nc(SCC(=O)Nc2ccc(F)cc2)c2oc3ccccc3c2n1,CID664933,,,,,0.0,,,0.0,,,,,,,,,0.0
O=C(CSc1ncnc2c1oc1ccccc12)Nc1cccc(F)c1,CID663542,,0.0,,0.0,0.0,,,0.0,0.0,,,,,,,,0.0
O=C(CSc1ncnc2c1oc1ccccc12)Nc1ccccc1F,CID2004544,,0.0,0.0,,0.0,0.0,0.0,,,,,,,,,0.0,
COc1cccc(NC(=O)CSc2ncnc3c2oc2ccccc23)c1,CID2023595,0.0,,,,0.0,0.0,0.0,,,,,,,0.0,,0.0,
CCOc1ccccc1NC(=O)CSc1ncnc2c1oc1ccccc12,CID2158329,0.0,,0.0,,0.0,,0.0,,,,,,,,,,
O=C(CSc1ncnc2c1oc1ccccc12)Nc1ccccc1C(F)(F)F,CID2158311,0.0,0.0,,,0.0,,,,,0.0,,,,,,,0.0
N#CCCn1ncc2ccccc21,CID3244150,,,,,,,0.0,,,,,,,,,,
COC(=O)c1n[nH]c2ccccc12,CID657476,,,,,,,,0.0,,,0.0,,,,,,
CCOC(=O)c1n[nH]c2ccccc12,CID78251,,,0.0,,,,,0.0,,,,,,,,,
Nc1ccc2[nH]ncc2c1,CID88012,0.0,,,,,,,0.0,,,,,,,,,
Cc1nn(C(C)C(=O)O)c2ccccc12,CID3240603,,,,,,,,0.0,,,,,,,,,
C=CCN(CC=C)C(=O)COC(=O)c1n[nH]c2ccccc12,CID2085783,,,,,,,,,,,,,,,0.0,,
CCCNC(=O)CN(C)C(=O)c1n[nH]c2ccccc12,CID2532324,,0.0,,,,,,0.0,,,,,,0.0,,,
Brc1ccc2[nH]ncc2c1,CID761929,,,,,,,0.0,,,,,,,,,,0.0
CNC(=S)Nc1cccc2[nH]ncc12,CID1481954,,,,,,,,,,,,,,0.0,,,
Cc1nn(CC(=O)O)c2ccccc12,CID3237757,0.0,,,0.0,,0.0,,,,,,,,,,,
CC(C)NC(=S)Nc1ccc2cn[nH]c2c1,CID2405639,,,,,,,,,,,,,,0.0,,,
O=[N+]([O-])c1cccc2cn[nH]c12,CID1893,,,,,,,0.0,,,,,,,,,,
Nc1ccc2cn[nH]c2c1,CID81423,,,,,,,,0.0,,,,,0.0,,,,
O=[N+]([O-])c1ccc2cn[nH]c2c1,CID24239,,,,,,,,,,,,,,,0.0,,
CCCc1ccc(Oc2cc(Cl)nc(N)n2)cc1,CID702419,,,,,,,,,,,,,,,0.0,,
CCOC(=O)COC(=O)c1ccc(Oc2cc(C)nc(SC)n2)cc1,CID1577679,,,,,,,,,0.0,0.0,,,,,,,
Cc1cc(Oc2ccccc2)nc(N)n1,CID676911,,,,,,,0.0,0.0,,,,0.0,0.0,,,,
CSc1nccc(Oc2ccc(C#N)cc2)n1,CID1211472,,,,,,,,,,,,,,,0.0,,
Cc1cc(Oc2ccccc2)nc(OCC#N)n1,CID1886522,,,0.0,,,,,,,,,,,,0.0,,
Nc1nc(OCC(F)(F)F)cc(Oc2ccccc2F)n1,CID2218394,,,,,,,,,0.0,,,,,,,,
COC(=O)c1ccc(Oc2cc(C)nc(SC)n2)cc1,CID705813,,,,0.0,,,,0.0,0.0,,,0.0,,,,,0.0
CCN(CC)c1cc(Oc2ccccc2)ncn1,CID2055860,,0.0,,,,,0.0,0.0,,,,,,0.0,0.0,0.0,
Cc1cc(Oc2ccccc2)nc(SCC(N)=O)n1,CID2201505,,0.0,0.0,,,,0.0,,,0.0,,,0.0,,,0.0,
COC(=O)c1ccc(Oc2cc(C)nc(Cl)n2)cc1,CID1713367,,,,,,,,,,,,,,0.0,,,
CCc1ccc(Oc2cc(Cl)nc(N)n2)cc1,CID815741,,,,,,,,,,,,,,,0.0,,
CSc1nc(C)cc(Oc2ccccc2)n1,CID977622,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1ccc(Oc2cc(C)nc(SC)n2)cc1,CID718387,,,,,,,0.0,,0.0,,,,,0.0,,,
COC(=O)CSc1nc(C)cc(Oc2ccccc2)n1,CID4205813,,0.0,,0.0,,,,,,,0.0,,0.0,,,,
Cc1ccc(NC(=O)CCn2cccc2)cc1,CID9550240,,,,,,0.0,,,,,0.0,,,,,,
COc1ccc(OC)c(NC(=O)CCn2cccc2)c1,CID3241935,,,,,,,,,,0.0,,0.0,,,,0.0,
CCOc1ccc(NC(=O)CCn2cccc2)cc1,CID3240577,,,,0.0,,,,0.0,,0.0,0.0,,0.0,,,0.0,
O=C(CCn1cccc1)Nc1ccccc1F,CID3241326,,,,0.0,,,,0.0,,,,,,,,0.0,0.0
Cc1ccc(Cl)cc1NC(=O)CCn1cccc1,CID3243750,0.0,0.0,,,,0.0,,,,,,,,,,0.0,0.0
CCc1ccc(NC(=O)CCn2cccc2)cc1,CID6623584,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1cccc(NC(=O)CCn2cccc2)c1,CID3242991,,,,0.0,0.0,,,0.0,,,,,,,,,0.0
Cc1ccc(NC(=O)CCn2cccc2)cc1F,CID9550663,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(OCC)c(NC(=O)CCn2cccc2)c1,CID3239178,,,0.0,,0.0,0.0,,,,,,0.0,,,,,0.0
COc1ccc(NC(=O)CCn2cccc2)cc1,CID3245733,,,,,,,,,,,,,,,,0.0,
COC(=O)c1ccc(NC(=O)CCn2cccc2)cc1,CID3243417,,0.0,,,,,,,,,,,,,,0.0,
O=C(CCn1cccc1)Nc1cc(F)ccc1F,CID3236067,,,,0.0,,,,,,,,0.0,,,,,
O=C(CCn1cccc1)Nc1cccc(F)c1,CID3244671,,,,,,,,0.0,,,,,,,,,
Cc1ccc(NC(=O)CCn2cccc2)cc1Cl,CID3237171,0.0,0.0,0.0,0.0,,0.0,0.0,,,0.0,,,0.0,,,0.0,0.0
COC(=O)c1nc(NC(C)=O)n[nH]1,CID647229,,0.0,,0.0,,,,,,,,,,,,,
CCS(=O)(=O)c1nc(NC(C)=O)n[nH]1,CID653191,,,,,,,,,,0.0,,,,,,,
C=CCN(CC=C)S(=O)(=O)c1ncn[nH]1,CID565846,,,,,,,0.0,,,0.0,,,0.0,,,,
O=C(Nc1ncn[nH]1)C(F)(F)C(F)F,CID3094068,,,,,,,,,0.0,,,,,,,,
CCCCCCCCCSc1n[nH]c(N)n1,CID2255302,,,,,,,,,,,,,,,0.0,,
O=C(O)CSc1ncn[nH]1,CID646171,,,,,,,,,,,,,0.0,,,,0.0
CC(C)(C)OC(=O)NCc1nc(N)n[nH]1,CID3240300,,0.0,,,,,0.0,,,,,,,,,,
Cc1nc(C)n(C(C)CC(=O)O)n1,CID648443,,,0.0,,,,,0.0,,,,,0.0,,,,
COC(=O)c1nc(NC(=O)C(C)(C)C)n[nH]1,CID2314690,,0.0,,,,,,,,,,,,,,,
CCCSc1n[nH]c(NC(C)=O)n1,CID5307194,,,,,,,0.0,,,,,,,,,,
CCCNC(=O)Cc1ncn[nH]1,CID3236314,,0.0,,0.0,,,,0.0,,,,0.0,,,,,
COC(=O)c1nc(NC(=O)C(C)C)n[nH]1,CID2314716,,0.0,,0.0,,,,0.0,0.0,,,,,,,,
CCOC(=O)Cn1cnc([N+](=O)[O-])n1,CID1276711,,,,,,,,,0.0,,,,,,,,
CCCCC(CC)CNC(=O)c1ncn[nH]1,CID580553,,,,,,,,,,,,,,0.0,,,
COc1cccc(-c2nc3ccccc3c(=O)o2)c1,CID699931,,,,,,,,,,,,,,0.0,,,
O=c1oc(-c2ccccc2[N+](=O)[O-])nc2ccccc12,CID347675,,,,,,,,,,,,,,0.0,1.0,,
COc1cccc(-c2nc3ccc(O)cc3c(=O)o2)c1,CID973260,,,,,,0.0,,,0.0,,0.0,,,0.0,,0.0,
COc1cc(OC)cc(-c2nc3ccccc3c(=O)o2)c1,CID718644,,,,,,,,,0.0,0.0,,,,0.0,0.0,,
CCC(=O)Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1,CID789646,,,,,,,,,,,,,,,0.0,,
COc1ccc(-c2nc3ccccc3c(=O)o2)cc1OC,CID739658,,,,,,,,,,,,,,0.0,,,
CCC(=O)Nc1cccc(-c2nc3ccccc3c(=O)o2)c1,CID1240718,,,,,0.0,,0.0,0.0,0.0,0.0,,,,0.0,,,
CC(C)CC(=O)Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1,CID704822,,,,,,,,,,,,,,0.0,,,
CC(C)C(=O)Nc1cccc(-c2nc3ccccc3c(=O)o2)c1,CID704832,,,,,,,,,0.0,,,,,0.0,,,
CC(=O)Nc1cccc(-c2nc3ccccc3c(=O)o2)c1,CID693837,,,,,,,,0.0,,,,,,0.0,,,
CC(C)(C)C(=O)Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1,CID1149131,,,,,,,,,,,,,,,0.0,,
CC(C)(C)C(=O)Nc1cccc(-c2nc3ccccc3c(=O)o2)c1,CID741509,,,,,,0.0,,,0.0,,0.0,,,,,,
O=c1oc(-c2ccc([N+](=O)[O-])cc2)nc2ccccc12,CID542784,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(-c2nc3ccccc3c(=O)o2)cc1,CID714792,,,,,,,,,,,,,,,0.0,,
Cc1ccc(N2CC(c3nc4ccccc4n3C)CC2=O)cc1C,CID4455188,0.0,,0.0,,,,,,,,,,,,,,
Cc1ccc(N2CC(c3nc4ccccc4[nH]3)CC2=O)c(C)c1,CID4753717,0.0,0.0,,,,,,0.0,,,,,,,,,
Cc1cccc(N2CC(c3nc4ccccc4n3C)CC2=O)c1C,CID4455259,0.0,,,,,,,,,,,,,,,,
O=C1CC(c2nc3ccccc3[nH]2)CN1c1cccc(C(F)(F)F)c1,CID4753825,0.0,,,,0.0,,0.0,,,,,,,,,,
C=CCn1c(C2CC(=O)N(c3ccc(C)cc3)C2)nc2ccccc21,CID663097,0.0,,0.0,0.0,,,,0.0,,,,,,,,,
O=C1CC(c2nc3ccccc3[nH]2)CN1c1ccccc1,CID2919881,,0.0,,0.0,,,,,,,,,,,0.0,,
Cc1ccccc1N1CC(c2nc3ccccc3[nH]2)CC1=O,CID662727,0.0,0.0,0.0,0.0,,,,,,,0.0,,0.0,,,0.0,
Cc1cc(C)cc(N2CC(c3nc4ccccc4n3C)CC2=O)c1,CID4754222,0.0,,0.0,,,,0.0,,0.0,,,,,,0.0,,
CCn1c(C2CC(=O)N(c3cc(C)cc(C)c3)C2)nc2ccccc21,CID4754223,0.0,,0.0,,,,,,,,,,,,,,
COc1ccc(Cl)cc1N1CC(c2nc3ccccc3[nH]2)CC1=O,CID4621935,0.0,0.0,,,,,,0.0,,,,,,,,0.0,
CCCn1c(C2CC(=O)N(c3cc(OC)ccc3OC)C2)nc2ccccc21,CID4754282,0.0,0.0,,0.0,0.0,,,,,0.0,0.0,,,,,,
C=C(C)Cn1c(C2CC(=O)N(c3ccccc3F)C2)nc2ccccc21,CID4754109,,0.0,,0.0,,,,,,,,,,,,,
O=C1CC(c2nc3ccccc3[nH]2)CN1c1ccccc1F,CID4754079,,,,,,,,0.0,,,0.0,,,,,,
CCn1c(C2CC(=O)N(c3ccc(C)c(C)c3)C2)nc2ccccc21,CID4753811,,,,,,,,,,0.0,,,,,,,
COc1ccccc1C(=O)COC(=O)c1ccc(N(C)C)cc1,CID2358432,,,,,,,,,,,,,,0.0,0.0,,
CC(=O)Nc1cc(C(=O)OCC(=O)c2ccc(C)cc2)ccc1C,CID887497,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)OCC(=O)c2cc(OC)ccc2OC)c(OC)c1,CID2117733,,,0.0,,,,,,,0.0,,,,,,,
CCC(=O)Nc1cccc(C(=O)OCC(=O)c2ccccc2Cl)c1,CID887620,,,,,,0.0,,,,,,,,,,,
COc1ccc(OC)c(C(=O)COC(=O)c2ccccc2O)c1,CID2078480,,,,,0.0,,,0.0,,,,,0.0,,,0.0,0.0
COc1ccc(C(=O)COC(=O)c2ccc(OC)c(OC)c2)cc1OC,CID1201743,,,,,,,,0.0,,,,,,,0.0,,
COc1ccc(OC)c(C(=O)COC(=O)c2c(OC)cccc2OC)c1,CID2431484,,,,,,,,0.0,0.0,,,,,,,,
CC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1,CID1337080,,,,,,,,,,,,,,,0.0,,
CCC(=O)Nc1cc(C(=O)OCC(=O)c2ccccc2)ccc1C,CID902715,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)COC(=O)c2ccc(N(C)C)cc2)cc1,CID2346667,,,,,,,,,,,,,,0.0,,,
CCC(=O)Nc1ccccc1C(=O)OCC(=O)c1ccccc1,CID962494,,,,,,0.0,,,,,,,,,0.0,,
CNc1ccccc1C(=O)OCC(=O)c1ccccc1,CID584201,,,,,,,,,,,,,,0.0,0.0,,
CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc(OC(F)F)cc2OC(F)F)cc1,CID2392044,,,,,,,0.0,,,,,,,,,,
CC(=O)Nc1ccccc1C(=O)OCC(=O)c1ccccc1Cl,CID2066331,,,,,,,,,,,,,,0.0,,,
CSc1ncccc1C(=O)OCc1cccc([N+](=O)[O-])c1,CID2427941,,,,,,,,,,,,,,,0.0,,
N#Cc1ccccc1COC(=O)c1cccnc1N,CID1512224,,,,,,,,,,,,,,,0.0,,
CCOc1ncccc1C(=O)OCc1ccc([N+](=O)[O-])cc1,CID2122317,,,,,,,,,,,,,,,0.0,,
CSc1ncccc1C(=O)OCc1ccccc1F,CID2417716,,,,,,,0.0,,,,,,,,,,
CCOc1ncccc1C(=O)OCc1ccccc1,CID2369615,,,,,,,,,,,,,,0.0,0.0,,
CCOc1ccc(C(C)=O)cc1COC(=O)c1cccnc1SC,CID2511304,,,,,,,,,,,,,,,0.0,,
O=C(OCc1c(Cl)cccc1Cl)c1cccnc1,CID976284,,,,,,,,,,,,,,,,,0.0
CCOc1ncccc1C(=O)OCc1ccc(C#N)cc1,CID5114956,,,,,,,,,,,,,,0.0,,,
CCOc1ncccc1C(=O)OCc1c(F)cccc1Cl,CID2481587,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(C)=O)cc1COC(=O)c1cccnc1SC,CID2539690,,,,,,,,,,,,,,0.0,,,
CSc1ncccc1C(=O)OCc1ccccc1,CID2357907,,,,,0.0,,0.0,0.0,,0.0,,0.0,0.0,0.0,0.0,,
CSc1ncccc1C(=O)OCc1ccccc1Cl,CID2417464,,,,,,,,,,,,,,0.0,,,
O=C(OCc1ccccc1)c1cccnc1Cl,CID2111911,,,,,,,,,,,,,,0.0,,,
COC(=O)c1cccc(COC(=O)c2cccnc2SC)c1,CID2468257,,,,,,,,,0.0,,,0.0,,,,,
CC(=O)N(C(C)=O)c1ccc2[nH]c(C)nc(=O)c2c1,CID1250928,,,,,,,,,,0.0,,,0.0,0.0,,,
CCC(CC)NC(=O)CCc1nc(=O)c2ccccc2[nH]1,CID2409292,,,,,,,,,,,,0.0,,,,,
CCOC(=O)CSc1nc(=O)c2ccccc2[nH]1,CID719213,,,0.0,0.0,0.0,,0.0,0.0,,,,,,,,,
COc1ccc2[nH]c(C)nc(=O)c2c1,CID654923,,,,0.0,,,,,,,,0.0,,,,,
Cc1nc(=O)c2ccccc2[nH]1,CID15674,,,,,,,,,,0.0,,,,,,,
CC(C)Nc1nc(=O)c2ccccc2[nH]1,CID1490960,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1ccc2[nH]c(C(F)(F)F)nc(=O)c2c1,CID763035,,,,0.0,,,0.0,,0.0,,,,,,,,0.0
CCNCc1nc(=O)c2cc(OC)c(OC)cc2[nH]1,CID2398047,,,,,,,,,,,,0.0,,,0.0,,
O=c1nc[nH]c2cc(Cl)ccc12,CID239202,,,,,,,,,,,,,0.0,,,0.0,
C=CCSc1nc(=O)c2ccccc2[nH]1,CID608970,,,0.0,,0.0,,,,,,0.0,,,,,,
CN(C)C(=O)CSc1nc(=O)c2ccccc2[nH]1,CID698655,,,0.0,0.0,,,,,,,,,,,,,
O=c1nc(C(F)(F)F)[nH]c2ccccc12,CID702189,,,,,,,,,0.0,,,,,,,,
CCN(CC)C(=O)CSc1nc(=O)c2ccccc2[nH]1,CID698657,,,,0.0,,,,0.0,0.0,0.0,,,,,,,
CCC(C)Sc1nc(=O)c2ccccc2[nH]1,CID2772610,,,,,,,,,,,0.0,,,,,,
COc1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(C)cc2)cc1,CID2937052,,,,,,,,,,,0.0,,,,,,
Cc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2ccc(O)cc2)cc1,CID2947616,,,,,0.0,,,,,,,,0.0,,,,
COC(=O)c1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(OC)cc2)cc1,CID2947553,,0.0,,,0.0,,,0.0,,,,,,,,,0.0
COc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2ccc(C(C)=O)cc2)cc1,CID5195263,,0.0,,0.0,,,,0.0,,,,,,,0.0,0.0,
COc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2ccc(C)cc2)cc1,CID651337,,0.0,,,,,,,,0.0,,,0.0,,,,0.0
COC(=O)c1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(F)cc2)cc1,CID651864,,,,,,,,,,,,,,0.0,,,
COc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2ccc(O)cc2)cc1,CID3155067,,,,,0.0,,,,,,0.0,,,,,,
O=C(Nc1ccc(O)cc1)C1CCCN1S(=O)(=O)c1ccc(F)cc1,CID2948236,,,,,,,,0.0,,0.0,,,,,,,0.0
COc1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(F)cc2)cc1,CID2947974,0.0,,,0.0,,,0.0,,,,,,,,,,0.0
COC(=O)c1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(C)cc2)cc1,CID4159774,,,,0.0,0.0,,0.0,0.0,,,,,,,,0.0,
CC(=O)c1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(C)cc2)cc1,CID2947653,,,,,,,,0.0,,,,,0.0,,,0.0,0.0
Cc1cccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(F)cc2)c1C,CID647845,,,,0.0,,,0.0,0.0,,,,,0.0,,,,0.0
Cc1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(F)cc2)c(C)c1,CID2948740,,,,,,,0.0,,,,,,,,,,0.0
CC(=O)c1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(F)cc2)cc1,CID3154007,,,,,,,0.0,,,,,0.0,,,,,0.0
Cn1c(NCC(O)CO)nc2c1c(=O)n(Cc1ccc(Cl)c(Cl)c1)c(=O)n2C,CID3763044,,,,,,,,,,,,0.0,,,,,
COc1ccc(Cn2c(=O)c3c(nc(NCCO)n3C)n(C)c2=O)cc1,CID658471,,,,0.0,,,,,,,,,,,,,
Cn1cnc2c1c(=O)n(Cc1ccc(F)cc1Cl)c(=O)n2C,CID880397,,,,0.0,,,,,,,,,0.0,,,,
Cn1cnc2c1c(=O)n(Cc1cccc(Br)c1)c(=O)n2C,CID889639,,,,,,,,,0.0,,0.0,0.0,,,,,0.0
Cn1cnc2c1c(=O)n(Cc1c(Cl)cccc1Cl)c(=O)n2C,CID742133,,,,,,,,,,,,,0.0,,,,
COCCNc1nc2c(c(=O)n(Cc3ccc(OC)cc3)c(=O)n2C)n1C,CID658405,,0.0,,0.0,,,,0.0,,,,,,,,,
Cn1c(NCCCO)nc2c1c(=O)n(Cc1ccccc1F)c(=O)n2C,CID657880,,,,,,,,0.0,,,,,,,,,
CC(C)CCNc1nc2c(c(=O)n(Cc3cccc(F)c3)c(=O)n2C)n1C,CID662343,,,0.0,0.0,,,,,,0.0,0.0,0.0,,,,,
Cn1cnc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2C,CID3131163,,,,,,0.0,,,,,,,,,,,
C=CCOc1nc2c(c(=O)n(Cc3ccc(Cl)cc3)c(=O)n2C)n1C,CID657776,0.0,0.0,0.0,,,,,,,,,,,,,,0.0
Cn1cnc2c1c(=O)n(Cc1ccccc1)c(=O)n2C,CID742551,,0.0,0.0,0.0,,0.0,0.0,,0.0,,,,,,,,0.0
C=CCOc1nc2c(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)n2C)n1C,CID657864,0.0,,,,,,,,,,,,,,,,
Cn1c(Cl)nc2c1c(=O)n(Cc1cccc(Br)c1)c(=O)n2C,CID658877,0.0,,,,,,,,0.0,,0.0,,,,,,0.0
CCOC(=O)CSc1nc2c(c(=O)n(Cc3ccccc3Cl)c(=O)n2C)n1C,CID646998,0.0,,,0.0,0.0,,,,0.0,0.0,,0.0,,,,,
COc1ccc(-c2cnc[nH]2)cc1,CID3792851,,,,,,,,,,,,,,,0.0,,
Cn1c(-c2ccccc2)cnc1N,CID1132927,,,,,,,,,0.0,,,,,,,,
Cn1c(-c2ccc(Cl)cc2)cnc1N,CID656297,0.0,,,,,,,,0.0,,,,,,,,
C=CCn1c(-c2ccc(Cl)cc2)cnc1SC(C)C(=O)NC(N)=O,CID4880631,,,,,,,,,,,,,,0.0,,,
CCCCNC(=O)CCC(=O)Nc1ncc(-c2ccc(C)cc2)n1C,CID656092,0.0,,,,,,0.0,,0.0,,0.0,,,,0.0,0.0,
CCCOc1ccc(-c2[nH]cnc2[N+](=O)[O-])cc1,CID609516,,,,,,,,,,,,,,,0.0,,
CCCNC(=O)CCC(=O)Nc1ncc(-c2ccc(C)cc2)n1C,CID650455,,,,,,,,,0.0,,,,,,,0.0,
COCCn1c(-c2ccccc2)cnc1N,CID3160437,,,,,,,,,,,,0.0,,,,,
COCCn1c(-c2ccc(OC)cc2)cnc1N,CID652582,0.0,0.0,,0.0,,,0.0,,,,,,,,,,
Fc1ccc(-c2cnc[nH]2)cc1,CID657876,,0.0,,0.0,,,0.0,,,,,,,,,,
CCCn1c(-c2ccc(F)cc2)cnc1SCC(=O)O,CID651233,,,,,,,0.0,,,,,,,,,,
Cn1c(-c2ccccc2)cnc1SCC(N)=O,CID647633,,,,0.0,,,0.0,0.0,,,,,0.0,,,,
Cc1ccc(-c2cnc(N)n2C)cc1C,CID653440,,,,,,,0.0,,,,,0.0,,0.0,,0.0,
CCOC(=O)CSc1ncc(-c2ccc([N+](=O)[O-])cc2)[nH]1,CID671359,,,,,,,,,,,,,,0.0,,,
COCCNC(=O)CN(C(=O)Cn1nnc2ccccc21)c1ccccc1,CID645268,,0.0,,0.0,,0.0,,0.0,,,,,,,,,
COc1ccc(NC(=O)Cn2nnc3ccccc32)c([N+](=O)[O-])c1,CID3165635,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1ccc(NC(=O)Cn2nnc3ccccc32)cc1,CID657481,,0.0,0.0,0.0,,,0.0,,,,,,,0.0,0.0,,0.0
COC(=O)c1cccc(NC(=O)Cn2nnc3ccccc32)c1,CID645762,,,,0.0,,,,,,,,,0.0,,0.0,,
Cc1ccc(NC(=O)Cn2nnc3ccccc32)c(C)c1,CID856334,,,,,,,,,,,,,,0.0,,,
O=C(Cn1nnc2ccccc21)Nc1ccccc1[N+](=O)[O-],CID3165284,,,,,,,,,,,,,,,0.0,,
Cc1cccc(NC(=O)Cn2nnc3ccccc32)c1,CID863021,,,,,,,,,,,,,,0.0,0.0,,
COCCNC(=O)CN(C(=O)Cn1nnc2ccccc21)c1ccc(C)c(F)c1,CID3212222,,,,,,,,,,,,0.0,,,,,
Cc1ccccc1NC(=O)Cn1nnc2ccccc21,CID863036,,,,,,,,,,,,,,0.0,0.0,,
COC(=O)c1ccc(NC(=O)Cn2nnc3ccccc32)cc1,CID645249,,,0.0,,,,,,,,,,0.0,0.0,,,
Cc1ccc(NC(=O)Cn2nnc3ccccc32)cc1,CID733624,,,,,,,,,,,,,,0.0,,,
CCOc1cc(C#N)c(NC(=O)Cn2nnc3ccccc32)cc1OCC,CID1267811,,0.0,,0.0,,,,,,,,,,0.0,,0.0,
CCc1cccc(CC)c1N(COC)C(=O)Cn1nnc2ccccc21,CID661510,,,,,,0.0,,,,,,,,0.0,,,
COCCNC(=O)CN(C(=O)Cn1nnc2ccccc21)c1ccc(F)c(Cl)c1,CID648316,,,0.0,,,,0.0,,,,,,,,,,
O=C(O)CC1=C(O)C(=O)N(c2ccccc2)C1c1ccc(Br)cc1,CID3073045,,,,,,,,,0.0,,,0.0,,,,,
COc1ccc(OC)c(C2C(C(C)=O)=C(O)C(=O)N2c2ccc(O)cc2)c1,CID660158,,0.0,,,0.0,,,,,,,,,0.0,,,
CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(C)=O)C2c2ccc(O)c(OC)c2)cc1,CID660066,,,,0.0,0.0,,,,,,,,,,,,
CC(=O)C1=C(O)C(=O)N(c2ccc(S(N)(=O)=O)cc2)C1c1ccccc1F,CID660945,,,,,,,,0.0,,0.0,,,,0.0,,,
COc1cccc(N2C(=O)C(O)=C(C(C)=O)C2c2ccc(OC)c(OC)c2)c1,CID666893,,,,,,,0.0,0.0,,,,,0.0,,,,
CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(C)=O)C2c2ccccc2)cc1,CID3119320,,,,,,,,,,0.0,,,,,,,
CC(=O)C1=C(O)C(=O)N(c2ccc(C(=O)O)cc2)C1c1ccccc1,CID666307,,,0.0,,,,0.0,0.0,,,,,0.0,,0.0,,
O=C(O)CC1=C(O)C(=O)N(c2ccccc2)C1c1ccc(Cl)cc1,CID3744576,,,,,,,,,,,,,,,0.0,,
COc1ccc(OC)c(C2C(C(C)=O)=C(O)C(=O)N2c2ccc(F)cc2)c1,CID2889320,,,,0.0,,,,0.0,,,,,,,,,
COc1ccc(C2C(CC(=O)O)=C(O)C(=O)N2c2ccccc2)cc1,CID664665,,,,,,,0.0,0.0,,,0.0,0.0,0.0,,0.0,,
CS(=O)(=O)C1=C(O)C(=O)N(c2ccccc2)C1c1ccccc1,CID2868302,,0.0,,0.0,0.0,,,,0.0,,0.0,,,,,,0.0
COc1cc(C2C(C(C)=O)=C(O)C(=O)N2c2ccc(C)cc2)ccc1O,CID3724279,,,,,,,,,0.0,,,,,,,,
CC(=O)C1=C(O)C(=O)N(c2cccc(C(=O)O)c2)C1c1ccccc1F,CID660746,,,,0.0,,,,,,,0.0,,,,,,
O=C(O)CC1=C(O)C(=O)N(c2ccccc2)C1c1ccccc1,CID2868155,,,,,,,0.0,0.0,,,,,,,,,
COc1ccccc1N1CCN(Cc2nc(N)nc(Nc3ccc(C)c(Cl)c3)n2)CC1,CID665892,,,,,,,,,,,,,,,,0.0,
COc1ccccc1Nc1nc(N)nc(CN2CCN(c3ccccc3)CC2)n1,CID667360,,0.0,,,,,,,,,0.0,,0.0,,,,
Cc1cccc(Nc2nc(N)nc(CN3CCN(c4ccccc4)CC3)n2)c1,CID666181,,,,,,,,,,0.0,,,,,,0.0,
COc1cccc(N2CCN(Cc3nc(N)nc(Nc4ccccc4)n3)CC2)c1,CID666710,,,,,,,,,,,0.0,,,,,0.0,
COc1ccccc1N1CCN(Cc2nc(N)nc(Nc3ccccc3)n2)CC1,CID666183,,,0.0,,,,,,,,0.0,,,,,0.0,
Cc1ccc(Nc2nc(N)nc(CN3CCN(c4ccccc4F)CC3)n2)cc1,CID666042,,,,,,,,,,0.0,,,,,,0.0,
Cc1cccc(Nc2nc(N)nc(CN3CCN(c4ccccc4F)CC3)n2)c1,CID666494,,0.0,0.0,,,,0.0,,,,,,,,,0.0,
COc1ccccc1N1CCN(Cc2nc(N)nc(Nc3ccc(C)cc3)n2)CC1,CID665945,,,0.0,,,,,,,,,,0.0,,0.0,0.0,
Cc1cccc(Nc2nc(N)nc(CN3CCN(c4ccc(F)cc4)CC3)n2)c1,CID666635,,,,,,,0.0,,0.0,,,,,,,0.0,
Cc1ccc(Nc2nc(N)nc(CN3CCN(c4ccccc4)CC3)n2)cc1Cl,CID666749,,,,,,,,,,,,,,,,0.0,
COc1cccc(N2CCN(Cc3nc(N)nc(Nc4ccccc4OC)n3)CC2)c1,CID666151,,,,,,,,,,,,,,,,0.0,
COc1ccccc1Nc1nc(N)nc(CN2CCN(c3ccccc3F)CC2)n1,CID666367,,,,,,,,,,,,,,,,0.0,
Nc1nc(CN2CCN(c3ccccc3F)CC2)nc(Nc2ccccc2)n1,CID667006,,,,,,,,,,,,,,,,0.0,
COc1ccc(N2CCN(Cc3nc(N)nc(Nc4ccc(C)c(Cl)c4)n3)CC2)cc1,CID666419,,,,,,,,,,,,,,,,0.0,
CCOC(=O)c1c(-c2ccccc2)oc2ccc(OC(=O)N(C)C)cc12,CID667239,0.0,,0.0,,,,,,,,,,,,,,
CCOc1ccc2oc(-c3ccccc3)c(C(=O)N(C)C)c2c1,CID782051,,,,,,,,,0.0,,,0.0,,0.0,,,
CCOc1ccc2oc(-c3ccccc3)c(C(=O)O)c2c1,CID854516,,,,,,0.0,,,0.0,,0.0,,0.0,0.0,,,
CCOC(=O)c1c(-c2ccccc2)oc2ccc(OC)cc12,CID679835,,,,,,,,,0.0,,0.0,,,0.0,,,
CCOC(=O)c1c(-c2ccccc2)oc2ccc(OC(C)=O)cc12,CID680599,,,,,,,,,,,0.0,,,,,,
NC(=O)c1c(-c2ccccc2)oc2ccc(O)cc12,CID658275,,,,0.0,0.0,,0.0,,,,0.0,,,,,,
CCOC(=O)c1c(-c2ccccc2)oc2cc(CN(C)C)c(O)c(CN(C)C)c12,CID981132,,,,,,,,,,0.0,,,,,,,
CC(=O)Nc1ccc(-c2cc3ccccc3o2)cc1,CID660707,,,,,,,1.0,0.0,0.0,,,,,,,,
CC(Oc1ccc2oc(-c3ccccc3)c(C(=O)O)c2c1)C(=O)O,CID2891915,,,,,,0.0,0.0,,,,,,,,,,
CCOC(=O)c1c(-c2ccccc2)oc2ccc(OC(=O)C(C)(C)C)cc12,CID986837,,,,,,0.0,,,,,,,,,,,
COc1ccc2oc(-c3ccccc3)c(C(N)=O)c2c1,CID779313,,,,,,0.0,,,,0.0,,,,,,0.0,
CCOC(=O)c1c(-c2ccccc2)oc2ccc(O)c(CN(C)C)c12,CID40122,,,,,,0.0,,,,,0.0,,,,,,
CN(C)C(=O)c1c(-c2ccccc2)oc2ccc(O)cc12,CID646279,,,,,,,0.0,,,0.0,0.0,,0.0,,,0.0,0.0
C=C(C)COc1ccc2oc(-c3ccccc3)c(C(=O)O)c2c1,CID702022,,,,,,0.0,,,,,,,,,,,
CC(C(=O)Nc1nccs1)c1ccc([N+](=O)[O-])cc1,CID2944615,,,,,,,,,,,,,,0.0,,,
CCOC(=O)Cc1csc(NC(=O)Cc2ccccc2[N+](=O)[O-])n1,CID885016,,,,,,,,,,,,,,0.0,,,
CCC(C(=O)Nc1nccs1)c1ccccc1,CID2888884,,0.0,,0.0,0.0,,0.0,,,,,,,,,,
CC(C)Cc1ccc(C(C)C(=O)Nc2nccs2)cc1,CID3042319,,,,,,,,,,0.0,,0.0,,,,,
COc1cc(CC(=O)Nc2ncc(C)s2)cc(OC)c1OC,CID2091162,0.0,,,,0.0,,,0.0,,,,,,,,0.0,
CCC(C(=O)Nc1nc(C)cs1)c1ccccc1,CID2915996,,,,,,,,,,,,0.0,0.0,,0.0,,0.0
COc1cc(CC(=O)Nc2nccs2)cc(OC)c1OC,CID2083475,0.0,,0.0,0.0,0.0,,0.0,0.0,,,0.0,,0.0,,,,
COc1ccc(CC(=O)Nc2nccs2)cc1OC,CID648788,,,,,0.0,,,0.0,,,,,,,,,
CCOc1ccc(CC(=O)Nc2nccs2)cc1,CID2514833,,,,,,,,,,,,,,,0.0,,
COc1cccc(CC(=O)Nc2nccs2)c1,CID2666619,,0.0,0.0,,0.0,,0.0,0.0,,,,,,,,,0.0
O=C(Cc1c(F)cccc1Cl)Nc1ncc([N+](=O)[O-])s1,CID2963114,,,,,,,,,,,,,,,0.0,,
CC(C)C(C(=O)Nc1nccs1)c1ccccc1,CID661047,,,,,0.0,,0.0,,,,,0.0,,,,,0.0
COc1ccc(CC(=O)Nc2nc(C)cs2)cc1OC,CID2107456,0.0,,0.0,0.0,0.0,,,0.0,,,,0.0,0.0,,,,0.0
CCCC(C(=O)Nc1nccs1)c1ccccc1,CID4813380,,,,,,0.0,,,,,,,,,,,
Cc1ccc(S(=O)(=O)N(C)Cc2cc3ccccc3[nH]c2=O)cc1,CID666957,0.0,,0.0,0.0,,,,0.0,0.0,,0.0,0.0,0.0,,,,
CCN(Cc1cc2cc(C)ccc2[nH]c1=O)S(=O)(=O)c1ccccc1,CID1830507,0.0,,,,,,0.0,0.0,0.0,,,0.0,,,,,0.0
COc1cc2cc(CN(CCO)S(=O)(=O)c3ccccc3)c(=O)[nH]c2cc1OC,CID1165464,,,,,,,,,0.0,0.0,,,,,,,
CCOC(=O)c1cccc(S(=O)(=O)N(CCO)Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)c1,CID645671,,,,,0.0,,,,,,,,,,,,
CN(Cc1cc2ccccc2[nH]c1=O)S(=O)(=O)c1ccccc1,CID935269,0.0,0.0,0.0,0.0,,,,0.0,0.0,,,,0.0,,,,
COc1cc2cc(CN(CCCO)S(=O)(=O)c3ccccc3)c(=O)[nH]c2cc1OC,CID652931,,0.0,,,0.0,,0.0,,,,0.0,,0.0,,,,
Cc1ccc(S(=O)(=O)N(CCCO)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1,CID3184011,,,,,,,,,0.0,0.0,,,,,,,
COC(=O)c1ccccc1S(=O)(=O)N(CCCO)Cc1cc2c(C)ccc(C)c2[nH]c1=O,CID652096,,,,,0.0,,,,0.0,0.0,0.0,,,,,,
CCOC(=O)c1cccc(S(=O)(=O)N(CCO)Cc2cc3cc(OC)ccc3[nH]c2=O)c1,CID650704,,,,,0.0,,,,0.0,,,,0.0,,,,
Cc1ccc(S(=O)(=O)N(CCO)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1,CID654828,,,,,,,,0.0,0.0,,,,,,,,
COc1cc2cc(CN(CCCO)S(=O)(=O)c3ccccc3Cl)c(=O)[nH]c2cc1OC,CID648282,,,,,,,,,,,,0.0,,,0.0,,
COc1cc2cc(CN(CCO)S(=O)(=O)c3ccccc3Cl)c(=O)[nH]c2cc1OC,CID654917,0.0,,,0.0,,,0.0,,,,,,0.0,,,,0.0
CC(=O)c1cccc(S(=O)(=O)N(CCCO)Cc2cc3ccc(C)cc3[nH]c2=O)c1,CID645003,,,,,0.0,,0.0,,0.0,0.0,0.0,,,,0.0,0.0,
CCN(Cc1cc2ccccc2[nH]c1=O)S(=O)(=O)c1ccccc1,CID665999,0.0,,0.0,,,,,,0.0,,0.0,,,,,,
COc1cc(OC)cc(C(=O)Nc2nc3ccccc3[nH]2)c1,CID2583718,,,,,,,,,0.0,,,,,,,,
O=C(Nc1nc2ccccc2[nH]1)c1ccc(F)cc1,CID2583534,,,0.0,0.0,,,,,,,,,,,,,
O=C(Nc1nc2ccccc2[nH]1)c1ccccc1F,CID2166675,,,,,,0.0,,,,,,,0.0,,,,
CCCCn1c(NC(=O)c2ccccc2)nc2ccccc21,CID2851364,0.0,,,,,,0.0,0.0,,,,,,,,,
CSc1ccccc1C(=O)Nc1nc2ccccc2[nH]1,CID2473752,,,,,,,,,,,,,,0.0,,,
CCCn1c(NC(=O)c2cccc(C)c2C)nc2ccccc21,CID3914216,,,,,,0.0,,,,,,,,,,,
COc1cccc(C(=O)Nc2nc3ccccc3[nH]2)c1,CID853103,,,,,,,,,,,,0.0,,,,,
CCCn1c(NC(=O)c2ccccc2)nc2ccccc21,CID2998768,0.0,,,,,,0.0,,,,,0.0,,,,0.0,
O=C(Nc1nc2ccccc2[nH]1)c1ccccc1,CID2302856,,,,,,,,,,,,0.0,,,,,
COc1cc(C(=O)Nc2nc3ccccc3[nH]2)cc(OC)c1OC,CID2163453,0.0,,,0.0,,,0.0,,0.0,,,0.0,,,,,
CCCn1c(NC(=O)c2ccc(C)cc2)nc2ccccc21,CID780681,,0.0,0.0,,,,0.0,,,,,,,,,,
COc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1OC,CID2095964,0.0,0.0,0.0,0.0,,,,,0.0,,,0.0,0.0,,,,
CCCCn1c(NC(=O)c2ccc(Cl)cc2)nc2ccccc21,CID2881122,,,,,,0.0,,,,,,,,,,,
Cn1c(NC(=O)c2ccccc2NC(=O)C(C)(C)C)nc2ccccc21,CID1076051,,0.0,,0.0,,,,,0.0,,,,,,,,
COc1ccccc1-n1c(SCC(N)=O)nc2c(c1=O)SCC2,CID756747,0.0,,,0.0,0.0,0.0,,,,0.0,,,,,,,
CSc1nc2c(c(=O)n1-c1ccc(C)cc1)SCC2,CID756741,,,0.0,,0.0,,0.0,,,0.0,,,0.0,0.0,0.0,,
CCOc1ccc(-n2c(SC)nc3c(c2=O)SCC3)cc1,CID756749,,0.0,,,0.0,,0.0,,,,,,0.0,,,,
CCCSc1nc2c(c(=O)n1-c1ccc(OCC)cc1)SCC2,CID2052844,,,0.0,,0.0,,0.0,,,0.0,,,0.0,,,,
COC(=O)C(C)Sc1nc2c(c(=O)n1-c1ccccc1)SCC2,CID3245210,,,,,,,,,,0.0,,,,,,,
CCSc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2,CID756753,,0.0,0.0,,,,,,,,,,,,,,
CCOc1ccc(-n2c(SC(C)C)nc3c(c2=O)SCC3)cc1,CID756751,,,,,0.0,,0.0,,,,0.0,,0.0,,,,
CCOc1ccc(-n2c(SCC)nc3c(c2=O)SCC3)cc1,CID756750,,,0.0,,0.0,,0.0,,,,,,,0.0,,,
CCOC(=O)CSc1nc2c(c(=O)n1-c1ccc(OC)cc1)SCC2,CID2155316,,,,,0.0,,0.0,,0.0,,0.0,,,,,,
CSc1nc2c(c(=O)n1-c1ccccc1)SCC2,CID756732,,,0.0,,,,0.0,,,0.0,,,,,0.0,,
CC(C)Sc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2,CID3238661,,0.0,,,0.0,,,,,,,,0.0,,,,
CCOc1ccc(-n2c(SC(C)C(=O)OC)nc3c(c2=O)SCC3)cc1,CID3245247,,,,,,,,,,,,,,,,,0.0
CCOC(=O)CSc1nc2c(c(=O)n1-c1ccc(OCC)cc1)SCC2,CID3243148,,,,0.0,0.0,,,,0.0,,,0.0,,,,,
CCOc1ccc(-n2c(SCC(N)=O)nc3c(c2=O)SCC3)cc1,CID2155337,,0.0,,,0.0,,0.0,,0.0,,0.0,,,,,0.0,
CCOc1cc(C2C(C(=O)OC(C)C)=C(C)N=C3SCCC(=O)N32)ccc1OC(C)=O,CID650475,0.0,,,0.0,0.0,,,0.0,,0.0,,,,,,,
CCCOc1ccc(C2C(C(=O)OC)=C(C)N=C3SCCC(=O)N32)cc1OCC,CID3236707,,,,,0.0,,,,,,,,,,,,
CCOc1cc(C2C(C(=O)OCC(C)C)=C(C)N=C3SCCC(=O)N32)ccc1OC(C)=O,CID3239197,,,,,0.0,,,0.0,,0.0,0.0,0.0,0.0,,,,
COC(=O)c1ccc(C2C(C(=O)OC(C)C)=C(C)N=C3SCCC(=O)N32)cc1,CID3865157,,,,0.0,0.0,,,,0.0,,,,,,,0.0,
COC(=O)c1ccc(C2C(C(=O)OCC(C)C)=C(C)N=C3SCCC(=O)N32)cc1,CID3239911,,,,,0.0,,,,,0.0,,,,,,,
COCCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1cccc(Br)c1,CID3243212,0.0,,,,,,,,0.0,,,,,,,,0.0
COCCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1cc(Br)ccc1OC,CID3238862,0.0,,,,,,,,0.0,,0.0,,,,,0.0,
CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1cc(Br)ccc1OC,CID3239577,0.0,,,,,,,,0.0,,0.0,,,,,0.0,0.0
COC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1ccc(C(=O)OC)cc1,CID2938926,,,,,,,,,,0.0,,,,,,0.0,
CCOc1ccc(C2C(C(=O)OC)=C(C)N=C3SCCC(=O)N32)cc1OCC,CID3237388,,0.0,,,0.0,,,0.0,,,,0.0,,,,,
CCOc1cc(C2C(C(=O)OC)=C(C)N=C3SCCC(=O)N32)ccc1OC(C)=O,CID3239258,,,,0.0,0.0,,0.0,,,,,,,,,,
COC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1cc(Br)ccc1OC,CID3238157,0.0,,,,,,,,,,,,,,,0.0,0.0
COCCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1ccc(C(=O)OC)cc1,CID651187,,,,,,,,,0.0,,,,,,,0.0,
CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1ccc(C(=O)OC)cc1,CID645378,,,0.0,,,,,0.0,,,0.0,,0.0,,,0.0,
CCOc1ccc(C(=O)NCc2ccncc2)cc1OCC,CID788801,,,0.0,,0.0,0.0,,0.0,0.0,0.0,0.0,,0.0,,,,
CCCCOc1ccc(C(=O)NCc2ccncc2)cc1,CID2232149,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C)c(C(=O)NCc2ccncc2)c1,CID925512,,,,,0.0,,0.0,,,,,,,,,,
COc1ccccc1C(=O)NCc1ccncc1,CID660826,,,,,,,0.0,,,,0.0,,0.0,,,0.0,
CCOc1ccc(C(=O)NCc2ccncc2)cc1,CID646173,,,,,0.0,0.0,,,,0.0,,0.0,0.0,,,0.0,
O=C(NCc1ccncc1)c1ccc(Br)cc1,CID791337,0.0,,,,,,,,0.0,,0.0,0.0,,,,0.0,
CN(c1ccc(C(=O)NCc2ccncc2)cc1)S(C)(=O)=O,CID900511,,0.0,,0.0,,,,0.0,0.0,,,,,,,0.0,
Cc1cc(C)cc(C(=O)NCc2ccncc2)c1,CID40146,,,0.0,0.0,0.0,,0.0,0.0,,0.0,,,,,,,
Cc1ccccc1C(=O)NCc1ccncc1,CID655519,,,,0.0,,,0.0,0.0,,,,,,,0.0,0.0,
O=C(NCc1ccncc1)c1c(F)c(F)c(F)c(F)c1F,CID1756382,,,,,,,,,0.0,,,,,,,,0.0
O=C(NCc1ccncc1)c1cccc(F)c1,CID2171085,,,,0.0,,,,,0.0,,0.0,,,,,,
CCOc1cc(C(=O)NC(C)c2ccncc2)cc(OCC)c1OCC,CID2970374,0.0,,,,,,,,,,0.0,0.0,,0.0,,,
CCOc1cc(C(=O)NCc2ccncc2)cc(OCC)c1OCC,CID807623,0.0,,,,,,,,,,,,,,,,0.0
CCCCC(=O)Nc1ccc(C(=O)NCc2ccncc2)cc1,CID2210229,,0.0,0.0,,,,,0.0,0.0,,,,,,,,
CCS(=O)(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)CC1c1ccc(C)cc1,CID3554496,,,,,,,,,,,,,,0.0,,,
COc1ccc(C2=NN(C(=O)CCC(=O)O)C(c3ccccc3OC)C2)cc1,CID2885924,,,,,,0.0,,,,,,,,,,,
CCS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)C(c3ccccc3)C2)c1,CID5216826,,,,,,,,,,,,,,,0.0,,
COc1ccccc1C1CC(c2ccc(C)cc2)=NN1C(=O)CCC(=O)O,CID2887050,,,,,,0.0,,,,,,,,,,,
CC(=O)Oc1ccccc1C1=NN(C(C)=O)C(c2ccccc2)C1,CID2941363,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(C2=NN(C(=O)CCC(=O)O)C(c3ccc(OC)c(OC)c3)C2)cc1,CID3132755,,,,,,0.0,,,,,,,,,,,
CNC(=S)N1N=C(c2ccccc2)CC1c1ccc(Br)cc1,CID2953403,,,,,,,,,0.0,,,0.0,,,,,
CNC(=S)N1N=C(c2ccc(C)cc2)CC1c1ccc(Br)cc1,CID2951965,,,,,,,,,0.0,,0.0,,,,,,
CC(=O)N1N=C(c2ccccc2)CC1c1ccccc1[N+](=O)[O-],CID2829371,,,,,,,,,,,,,,,0.0,,
CC(=O)N1N=C(c2ccccc2)CC1c1ccc([N+](=O)[O-])cc1,CID2829370,,,,,,0.0,,,,,,,,,,,
CNC(=S)N1N=C(c2ccc(OC)cc2)CC1c1ccc(Cl)cc1Cl,CID2952643,,,,,,,,,,,,,,0.0,,,
CCC(=O)N1N=C(c2ccccc2)CC1c1ccc([N+](=O)[O-])cc1,CID2885424,,,,,,,,,,,,,,0.0,,,
COc1ccc(C2CC(c3ccccc3)=NN2C(C)=O)cc1,CID2888100,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C2=NN(C(=O)CCC(=O)O)C(c3ccccc3Cl)C2)cc1,CID2886165,,,,,,0.0,,,,,,,,,,,
Cc1c(O)ccc(C(=O)COc2ccccc2F)c1O,CID805899,,,,0.0,0.0,,,,,,0.0,,,,,,
CCOC(=O)c1ccc(OCC(=O)c2ccc(O)cc2O)cc1,CID664786,,,0.0,,0.0,0.0,,0.0,,,,,,,,,
O=C(COc1ccccc1Br)c1ccc(O)cc1O,CID729510,0.0,,,,,,,,,,,,,,0.0,,
CC(=O)Nc1ccc(OCC(=O)c2cc(C)ccc2C)cc1,CID2571527,,,,,,0.0,,,,,0.0,,,,,,
COC(=O)c1ccc(OCC(=O)c2ccccc2)cc1,CID897256,,,,,,,,,0.0,,,,,,0.0,,
COc1ccc(C(=O)C(CO)Oc2ccccc2OC)cc1OC,CID369617,,,,,,,,,,,,,,,,0.0,
O=C(COc1ccccc1F)c1ccc(O)cc1O,CID886400,,,,,0.0,,,,,,,,,,,,
CCc1cc(C(=O)COc2ccccc2F)c(O)cc1O,CID886160,,,0.0,,0.0,,,0.0,,,,,,,,,
COC(=O)c1ccc(OCC(=O)c2ccc(O)cc2O)cc1,CID666890,,,,0.0,0.0,,,0.0,,,,,,,,,
COC(=O)c1ccc(OCC(=O)c2ccccc2OC)cc1,CID2448204,,,,,,,,,0.0,,,,,,0.0,,
CCc1ccc(C(=O)COc2ccc(NC(C)=O)cc2)cc1,CID2441266,,,,,,0.0,,,,,,,,,,,
COC(=O)c1ccc(OCC(=O)c2cccc(OC)c2)cc1,CID896959,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)COc2ccc(NC(C)=O)cc2)cc1,CID973587,,,,,,,,,0.0,0.0,0.0,,0.0,,,0.0,0.0
Cc1ccc(C)c(C(=O)COc2ccccc2[N+](=O)[O-])c1,CID2558296,,,,,,,,,,,,,,,0.0,,
COc1cccc(-n2nnc3c(=O)n(Cc4ccc(Br)cc4)cnc32)c1,CID3240214,,,,,,,0.0,,,,,,,,,0.0,
COc1cccc(-n2nnc3c(=O)n(Cc4ccc(F)cc4)cnc32)c1,CID3239614,,0.0,,,,,,,,0.0,,,,,,,
COc1ccc(-n2nnc3c(=O)n(Cc4cc(C)ccc4C)cnc32)cc1,CID3240035,0.0,0.0,,0.0,,,,,,,,,,,,,
COc1cccc(-n2nnc3c(=O)n(Cc4cccc(F)c4)cnc32)c1,CID3241606,,0.0,0.0,,,,0.0,0.0,0.0,,,,,,,,
COc1ccc(-n2nnc3c(=O)n(Cc4ccccc4C)cnc32)cc1,CID3238787,0.0,,0.0,,,0.0,0.0,0.0,,,,,,,,,
COc1cccc(-n2nnc3c(=O)n(Cc4cccc(C)c4)cnc32)c1,CID5310485,,,,,,,,,,0.0,,,,,,,
COc1cccc(-n2nnc3c(=O)n(Cc4ccccc4Cl)cnc32)c1,CID3242029,0.0,0.0,,,,,0.0,,,,,,,,0.0,,
Cc1ccc(-n2nnc3c(=O)n(Cc4cccc(C)c4)cnc32)cc1,CID5310510,,,,,,,,0.0,,,0.0,,,,,,
COc1ccc(-n2nnc3c(=O)n(Cc4cccc(C)c4)cnc32)cc1,CID3240733,0.0,0.0,,0.0,,0.0,,,,,,,,,0.0,,
COc1cccc(-n2nnc3c(=O)n(Cc4ccccc4F)cnc32)c1,CID3245836,,0.0,,,,,,0.0,,,,,,,,,
COc1cccc(-n2nnc3c(=O)n(Cc4c(F)cccc4Cl)cnc32)c1,CID3243997,0.0,,,,,,,,,,,,,,,,
COc1cccc(-n2nnc3c(=O)n(Cc4ccc(Cl)cc4)cnc32)c1,CID3243400,,,,,,0.0,,,,,,,,,,,
COc1cccc(-n2nnc3c(=O)n(Cc4ccc(C)cc4)cnc32)c1,CID3242652,0.0,0.0,,0.0,,0.0,,,,,,,,,,,0.0
Cc1ccc(-n2nnc3c(=O)n(Cc4cc(C)ccc4C)cnc32)cc1,CID3242910,,0.0,,,,,0.0,,,,,,,,,,
NC(=O)c1ccc(C(F)(F)F)n(Cc2ccc(Cl)cc2)c1=O,CID3813661,,,,,,,,,,,,,,0.0,,,
COC(=O)c1cc(Br)c(=O)n(Cc2ccc(C(=O)O)cc2)c1,CID661157,0.0,,,,,,,,0.0,,0.0,0.0,,,,,0.0
Cc1cc(C)n(Cc2ccccc2F)c(=O)c1C#N,CID2746403,,,,0.0,,,,,,,,,,,0.0,,
CCCC(=O)Nc1cccn(Cc2ccccc2Br)c1=O,CID644937,,,,,,,0.0,,0.0,,,,,,0.0,,0.0
C=CCNC(=S)NNC(=O)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O,CID2766604,,,,,,,,,,,,,,0.0,,,
O=c1ccccn1Cc1c(F)cccc1Cl,CID943457,,,,,,,,,,,,0.0,,,,,
Cc1cc(C)n(Cc2cccc(F)c2)c(=O)c1C#N,CID3243885,,,,,,,,0.0,,,,,,,,,
CCNC(=S)NNC(=O)c1ccc(=O)n(Cc2ccccc2)c1,CID2764909,,,,,,,,,,,,,,0.0,,,
CCNC(=S)NNC(=O)c1cccn(Cc2ccc(Cl)cc2)c1=O,CID2766626,,,,,,,,,,,,0.0,,,,,
O=c1ccccn1Cc1ccccc1F,CID664770,,,,0.0,,,,,,,,,0.0,,,,
O=c1c([N+](=O)[O-])cccn1Cc1ccccc1Cl,CID714064,,,,,,,,,,,,,,0.0,,,
COC(=O)c1cc(Br)c(=O)n(Cc2ccc(OC)c(OC)c2)c1,CID661045,0.0,,,,,,,,0.0,,0.0,0.0,,,,,0.0
CCNC(=S)NNC(=O)c1cccn(Cc2ccc(Cl)cc2Cl)c1=O,CID2764888,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)n(Cc2ccc(F)cc2)c(=O)c1C#N,CID3243222,,,0.0,,,0.0,,,,,,,,,,,
COc1ccc(-n2nc3c(c2NC(=O)c2c(F)cccc2Cl)CS(=O)C3)cc1,CID2160412,0.0,0.0,,,0.0,0.0,,,,,,0.0,0.0,,,,0.0
COc1ccc(-n2nc3c(c2NC(=O)c2cc(Br)ccc2Cl)CS(=O)C3)cc1,CID2160417,0.0,,,,,,,,,,0.0,,,,,,
Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(OC(C)C)cc2)CS(=O)C3)cc1,CID2160486,,,,,0.0,,,,,,,0.0,0.0,,,,0.0
COc1ccccc1C(=O)Nc1c2c(nn1-c1cccc(C)c1C)CS(=O)C2,CID2160365,0.0,,,,0.0,,,0.0,,,,0.0,,,,,0.0
COc1ccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)CS(=O)C3)cc1,CID2160372,0.0,0.0,,,0.0,0.0,,,,,0.0,0.0,0.0,,,,0.0
CCOc1ccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)CS(=O)C3)cc1,CID2160377,0.0,0.0,0.0,0.0,0.0,,,,,,,,,,,,0.0
CCOc1ccc(C(=O)Nc2c3c(nn2-c2ccc(C)cc2)CS(=O)C3)cc1OCC,CID2160249,,,,,0.0,,,,,,,,0.0,,,0.0,0.0
COc1cccc(C(=O)Nc2c3c(nn2-c2cccc(C)c2C)CS(=O)C3)c1OC,CID2160438,,0.0,0.0,,0.0,,0.0,,,,0.0,,,,,,0.0
COc1ccc(-n2nc3c(c2NC(=O)c2ccc(Br)cc2)CS(=O)C3)cc1,CID2160339,0.0,,,,,,,,0.0,,,,,,,0.0,0.0
CCOc1ccc(C(=O)Nc2c3c(nn2-c2cccc(C)c2C)CS(=O)C3)cc1,CID2160380,,,,,0.0,,,0.0,,,,,0.0,,,,0.0
Cc1ccc(-n2nc3c(c2NC(=O)c2ccccc2Br)CS(=O)C3)cc1,CID2160329,0.0,,,,,,0.0,,0.0,,,,,,,0.0,0.0
COc1cccc(C(=O)Nc2c3c(nn2-c2ccccc2C)CS(=O)C3)c1OC,CID2160439,,0.0,0.0,0.0,0.0,,,,,,,,,,,,
Cc1ccccc1-n1nc2c(c1NC(=O)c1cccc(F)c1)CS(=O)C2,CID2160348,0.0,,,,0.0,,0.0,0.0,,0.0,,,,,,,
CCOc1ccc(C(=O)Nc2c3c(nn2-c2ccc(F)cc2)CS(=O)C3)cc1,CID2160378,,,,0.0,,0.0,,0.0,,0.0,,,,,,,0.0
O=C(NCc1ccccc1)c1cc(-c2cccc(O)c2)on1,CID5309594,0.0,,,0.0,,,0.0,0.0,,,,,,,,,
COc1ccc(-c2cc(C(=O)NCc3ccccc3)no2)cc1OC,CID3237087,0.0,,,0.0,,,,,,,,,,,,,
COc1cccc(-c2cc(C(=O)NCc3ccc(Cl)cc3)no2)c1,CID3243174,0.0,,,,,,,,,,,,,,,0.0,0.0
COc1ccc(-c2cc(C(=O)N(C)Cc3ccccc3)no2)cc1OC,CID3240348,0.0,,0.0,,,,,,,,,,0.0,,,,
COc1ccc(CNC(=O)c2cc(-c3ccc(OC)c(OC)c3)on2)cc1,CID3236665,0.0,,,,,,,,0.0,,,0.0,,,,,
COc1ccc(CNC(=O)c2cc(-c3ccccc3OC)on2)cc1,CID3242577,0.0,,,,,,,,0.0,,,,,,,,
CC(NC(=O)c1cc(-c2ccccc2)on1)c1ccccc1,CID2971916,0.0,,,,,,0.0,0.0,,,0.0,0.0,,,,,
CC(NC(=O)c1cc(-c2ccc(Br)cc2)on1)c1ccccc1,CID3245735,,,,,,,,,,,,,,0.0,,0.0,
COc1ccccc1-c1cc(C(=O)NC(C)c2ccccc2)no1,CID3244413,0.0,,,,,,,0.0,,,,,,,0.0,,0.0
COc1ccccc1-c1cc(C(=O)NCc2ccc(Cl)cc2)no1,CID3241352,0.0,,,,,,0.0,,,,,,1.0,,,0.0,0.0
CN(Cc1ccccc1)C(=O)c1cc(-c2ccc(Br)cc2)on1,CID3237742,0.0,,,,,,,,0.0,,0.0,0.0,,,,0.0,0.0
COc1ccc(-c2cc(C(=O)NCc3ccc(Cl)cc3)no2)cc1OC,CID3238946,,,0.0,,,,,,,,,,,,,0.0,0.0
COc1ccccc1-c1cc(C(=O)NCc2ccc(F)cc2)no1,CID3236442,,,,0.0,,0.0,,0.0,,,,,,,,,
COc1ccccc1-c1cc(C(=O)NCc2ccccc2)no1,CID3243790,0.0,,,,,0.0,,0.0,0.0,,0.0,,1.0,,,,0.0
COc1ccccc1Nc1nc(N)nc(CSc2nc(C)cc(C)n2)n1,CID646269,,0.0,,0.0,0.0,,,,,,,,0.0,,0.0,,
Cc1ccc(Nc2nc(N)nc(CSc3nc(C)cc(C)n3)n2)cc1,CID1385037,,,,,,,,,,0.0,,,,,0.0,,
CCOC(=O)c1cnc(SCc2nc(N)nc(Nc3ccc(OC)cc3)n2)nc1N,CID2014390,,,,,,,,,,,0.0,,,,,,
Cc1cccc(Nc2nc(N)nc(CSc3nccc(C)n3)n2)c1,CID899174,,,,,,,,,0.0,,0.0,0.0,,,0.0,,
CCOC(=O)c1cnc(SCc2nc(N)nc(Nc3ccccc3OC)n2)nc1N,CID1556636,,,,,,,,,,0.0,,,,,,,
Nc1nc(CSc2ncccn2)nc(Nc2ccccc2)n1,CID690669,,,,,,,,,,,,0.0,,,,,
COc1ccccc1Nc1nc(N)nc(CSc2nccc(C)n2)n1,CID649324,,0.0,0.0,,0.0,,,,,0.0,0.0,,0.0,,,0.0,
Cc1c(Cl)cccc1Nc1nc(N)nc(CSc2ncccn2)n1,CID1080508,,,,,,,,,,,,,0.0,,,,
CCOC(=O)c1cnc(SCc2nc(N)nc(Nc3ccccc3)n2)nc1N,CID2067268,,,,,,,,,,0.0,0.0,,,,,0.0,
COc1ccc(Nc2nc(N)nc(CSc3nccc(C)n3)n2)cc1,CID1090234,,,,,,,,,,,0.0,,,,0.0,,
Cc1ccc(Nc2nc(N)nc(CSc3ncccn3)n2)cc1,CID900602,,,,,,,,,,,,,,,0.0,,
CCOc1ccccc1Nc1nc(N)nc(CSc2nccc(C)n2)n1,CID1088061,,0.0,0.0,0.0,0.0,,,,,0.0,0.0,,0.0,,,,
COc1ccccc1Nc1nc(N)nc(CSc2ncccn2)n1,CID901224,,0.0,,,0.0,,,,,0.0,,,0.0,,,,
CCOC(=O)c1cnc(SCc2nc(N)nc(Nc3ccc(C)cc3)n2)nc1N,CID1628636,,,,,,,,,,,,,,,,0.0,
O=C(CC(Nc1ccc(Cl)cc1)C(=O)O)c1ccccc1,CID2931787,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)CCNc2ccc(C)c(Cl)c2)cc1,CID930312,,,,,,,,,,,,,,0.0,,,
O=C(CCNc1ccccc1)c1cccc([N+](=O)[O-])c1,CID877450,,,,,,0.0,,,,,,,,,,,
O=C(CC(Nc1ccccc1)C(=O)O)c1ccccc1,CID2999802,,,,,,,,,,,,,0.0,,,,0.0
Cc1ccc(NCCC(=O)c2cccc([N+](=O)[O-])c2)c(C)c1,CID877490,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NCCC(=O)c2ccc(Br)cc2)cc1,CID877320,,,,,,,,,,,,0.0,,,,,
Cc1ccc(NCCC(=O)c2ccccc2)cc1Cl,CID888550,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)CCNc2cccc(Cl)c2)cc1,CID975216,,,,,,,,,,,,,,0.0,,,
O=C(CCNc1cccc(F)c1)c1cccc([N+](=O)[O-])c1,CID580286,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NCCC(=O)c2cccc([N+](=O)[O-])c2)cc1,CID877460,,,,,,0.0,,,,,,,,,,,
O=C(CCNc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1,CID877371,,,,,,,,,,,,,,,0.0,,
O=C(CC(Nc1ccccc1Cl)C(=O)O)c1ccccc1,CID2930740,,,,,,,,,,,,,,0.0,,,
CCc1ccc(NCCC(=O)c2ccc(Br)cc2)cc1,CID877415,,,,,,,,,,,,0.0,,,,,
O=C(CC(Nc1ccc(F)cc1)C(=O)O)c1ccccc1,CID2932695,,,,0.0,,,,,,,,,0.0,,,,
CCOC(=O)N1CCN(C(c2ccc(C(C)C)cc2)c2sc3nc(C)nn3c2O)CC1,CID4289384,0.0,,,,0.0,,,0.0,,,,,0.0,,,0.0,
Cc1nc2sc(C(c3ccc(C(C)C)cc3)N3CCN(CCO)CC3)c(O)n2n1,CID4168761,,,,,0.0,,,,,,,,,,,0.0,
Cc1nc2sc(C(c3ccccc3)N3CCN(C)CC3)c(O)n2n1,CID4324735,,0.0,,,,,0.0,,,,,,,,,0.0,
CCOC(=O)N1CCN(C(c2ccc(F)cc2)c2sc3nc(C)nn3c2O)CC1,CID5076107,0.0,0.0,,,,,,,,,,,0.0,,,,
CCOC(=O)N1CCN(C(c2ccc(Cl)cc2)c2sc3nc(C)nn3c2O)CC1,CID3414158,,0.0,,0.0,0.0,,,,,,,,,,,,
CCN1CCN(C(c2cccc(OC)c2)c2sc3nc(C)nn3c2O)CC1,CID3240418,,,,0.0,,,,,,,,,,,,,
CCOC(=O)N1CCN(C(c2ccccc2)c2sc3nc(C)nn3c2O)CC1,CID3240103,,,,0.0,,,,,,,0.0,,,,,0.0,0.0
Cc1ccc(C(c2sc3nc(C)nn3c2O)N2CCN(CCO)CC2)cc1,CID4062157,,0.0,,,0.0,,,0.0,,,,,,,,0.0,
CCN1CCN(C(c2ccccc2)c2sc3nc(C)nn3c2O)CC1,CID4549137,,,,,,,,,,,,,,,,0.0,
CCOC(=O)N1CCN(C(c2ccc(C)cc2)c2sc3nc(C)nn3c2O)CC1,CID4245065,,,,0.0,0.0,,,,,,,,,,,0.0,
Cc1nc2sc(C(c3ccccc3)N3CCN(CCO)CC3)c(O)n2n1,CID4652294,,,,0.0,,,,,,,,,,,,0.0,
Cc1nc2sc(C(c3ccc(Cl)cc3)N3CCN(CCO)CC3)c(O)n2n1,CID3568848,0.0,,,,0.0,,,,,,,,,,,,
COc1ccc(C(c2sc3nc(C)nn3c2O)N2CCN(CCO)CC2)cc1OC,CID5063649,,,,,0.0,,,,,,,,,,,,
CCOC(=O)N1CCN(C(c2cccc(OC)c2)c2sc3nc(C)nn3c2O)CC1,CID3239730,,,,,0.0,,,,,,,,,,,,
Cc1ccc(NC(=O)C2CCCN(c3ncccn3)C2)cc1F,CID648334,,,,,,,,,,,,0.0,,,,,
O=C(Nc1cccc(C(F)(F)F)c1)C1CCCN(c2ncccn2)C1,CID652459,,,,,0.0,,,,0.0,0.0,,,,,,,0.0
CCOc1ccc(OCC)c(NC(=O)C2CCCN(c3ncccn3)C2)c1,CID647071,0.0,,,0.0,0.0,,0.0,,,,,,,,,,
Cc1cc(C)nc(N2CCCC(C(=O)Nc3cc(F)ccc3C)C2)n1,CID654105,,,,0.0,,,,,,,,0.0,,,,,
COc1cc(C)nc(N2CCCC(C(=O)Nc3cc(Cl)ccc3OC)C2)n1,CID3230390,,,,,,0.0,,,,,0.0,,,,,,
Cc1ccc(F)cc1NC(=O)C1CCCN(c2ncccn2)C1,CID650992,0.0,,,,,,,0.0,,,,,,,,,
Cc1ccnc(N2CCCC(C(=O)Nc3cc(F)ccc3C)C2)n1,CID648910,,0.0,,,,,,,,,,,,,,,
CCOc1ccc(OCC)c(NC(=O)C2CCCN(c3nc(C)cc(C)n3)C2)c1,CID655613,0.0,,0.0,,0.0,,,0.0,,,,,0.0,,,,
Cc1cc(C)cc(NC(=O)C2CCCN(c3nc(C)cc(C)n3)C2)c1,CID647409,,0.0,,,,0.0,,0.0,,,,,,,,,
COc1cc(NC(=O)C2CCCN(c3ncccn3)C2)cc(OC)c1,CID3223332,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)cc(NC(=O)C2CCCN(c3nccc(C)n3)C2)c1,CID654572,,,,0.0,,,,,,,,,,,,,
COc1cc(C)nc(N2CCCC(C(=O)Nc3cccc(Cl)c3Cl)C2)n1,CID651448,,,0.0,,,,,,,,,,0.0,,,,
COc1cc(C)nc(N2CCCC(C(=O)Nc3cccc(Cl)c3C)C2)n1,CID647871,,0.0,0.0,,,0.0,0.0,,,,,,0.0,,,,0.0
Cc1cccc(NC(=O)C2CCCN(c3nc(C)cc(C)n3)C2)c1,CID645775,,0.0,,,,,,,,,,,,,,,
CCOC(=O)c1c(-c2ccccc2)n(C)c2ccc(O)cc12,CID1257583,,,,,,,,,,0.0,0.0,,,,,,
COc1ccc(-c2cc3ccccc3n2CC(O)CNC(CO)(CO)CO)cc1,CID2937596,,,,,0.0,,,,,,,,,,,,
Cc1ccc2[nH]c(-c3cccc(N)c3)cc2c1,CID658737,0.0,,,,,,,0.0,,,,,,,,,
CC(=O)Nn1c(-c2ccccc2)cc2ccccc21,CID665399,,,,0.0,0.0,,0.0,,,0.0,,,0.0,,,0.0,
O=C(O)CCn1c(-c2ccccc2)cc2ccccc21,CID803793,,,,,,,,,,,,,,0.0,,,
Cn1c(-c2ccccc2)c(CCO)c2ccccc21,CID784721,,,,,,,0.0,,0.0,0.0,,,,,,0.0,
Cc1ccc(O)c(-c2cc3ccccc3[nH]2)c1,CID1349072,,0.0,,0.0,,,0.0,,,0.0,0.0,0.0,,,,,
Cn1c(-c2ccccc2)c(C(=O)CC#N)c2ccccc21,CID2404762,,,,,,,,,,,,,,0.0,0.0,,
COc1ccccc1-c1cc2ccccc2[nH]1,CID901191,,,,,,,,,,0.0,0.0,0.0,,,,,
CCOC(=O)c1c(-c2ccccc2)[nH]c2ccc(O)cc12,CID931131,,,,0.0,,,0.0,0.0,,,,,,,,0.0,
CCn1c(-c2ccccc2)c(C(=O)CCl)c2ccccc21,CID2378273,,,,,,,,,,,,,,0.0,,,
Cn1c(-c2ccccc2O)cc2ccccc21,CID901192,,,,,,,,,,0.0,0.0,0.0,,,,,
CCn1c(-c2ccccc2)c(C(=O)O)c2ccccc21,CID901195,,,,,,,,,,,,,,,0.0,,
COc1cccc(NC(=O)N2CCCC2C(=O)NCC(C)C)c1,CID646616,0.0,,,0.0,0.0,0.0,0.0,,,,,,,,,,
COc1ccc(NC(=O)N2CCCC2)cc1OC,CID970962,,,,0.0,,,0.0,0.0,,,0.0,,,,0.0,,
O=C(O)C1CCCN1C(=O)Nc1ccc(F)cc1,CID651715,,,,,,,,0.0,,,,,,,,,
COC(=O)c1ccccc1NC(=O)N1CCCC1,CID972150,,,0.0,,,,,,,,,,,,,0.0,
CCCCNC(=O)C1CCCN1C(=O)Nc1cccc(OC)c1,CID656350,0.0,0.0,,,0.0,,0.0,,,,,,0.0,,,,
O=C(O)C1CCCN1C(=O)Nc1ccccc1,CID2946785,,,,,,,,,,0.0,,,,,,,
O=C(Nc1cccc(Cl)c1)N1CCCC1,CID765256,,,,,,,,,,0.0,,,,0.0,,,
O=C(Nc1ccccc1)N1CCCC1,CID791811,,,,,,,,,,,,0.0,,,,,
CC(=O)c1cccc(NC(=O)N2CCCC2C(=O)NCCC(C)C)c1,CID646399,,,0.0,,,,,,,,,,,,,,
COc1cccc(NC(=O)N2CCCC2C(=O)NC(C)C)c1,CID652371,0.0,0.0,,,0.0,,,,,,,,0.0,,,,
COC(=O)C1CC(O)CN1C(=O)Nc1ccccc1,CID3323238,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccc(Cl)cc1)N1CCCC1,CID118853,,0.0,,,,,,,,0.0,,,0.0,0.0,,0.0,0.0
COc1cccc(NC(=O)N2CCCC2)c1,CID6470002,,,,,,,,,,,,,,0.0,,,
CC(C)(C)NC(=O)CN(C(=O)CCN1CCCc2ccccc21)C(C)(C)C,CID648838,,,,,,,,0.0,,,,,,,,,
COc1ccc2c(c1)CCCN2C(N)=O,CID1253326,,0.0,,,,,,0.0,,,,0.0,,,,,
CC1CCc2cc(F)ccc2N1C(=O)CCC(=O)O,CID3242096,,,,0.0,,,,,,,,,0.0,,,0.0,
CC(=O)N1CCCc2cc(S(=O)(=O)N(CC(C)C)CC(C)C)ccc21,CID3239330,,,,,,,,0.0,,,,,,,,,
COC(=O)C(O)(c1ccc2c(c1)CCCN2)C(F)(F)F,CID2999213,,,,,,,,,0.0,,,,,,,,
CC1CC(O)c2cc(Cl)ccc2N1,CID659285,0.0,,,,,,0.0,,,,,,,,,,
CC(=O)N1CCCc2cc(S(=O)(=O)N(C)CCC#N)ccc21,CID3236737,,0.0,,,,,,,,,,,0.0,,,,0.0
CCCNS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O,CID3243437,,,,,,,,,,0.0,,,,,,,
Cc1ccc(OC(=O)C(F)(F)F)c2c1NCCC2,CID780492,,,,,,,,,0.0,,,,,,,,
CC(C)=CC(=O)N1CCCc2ccccc21,CID731839,,,,0.0,,,,,,,,,,,,0.0,
CCCCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O,CID3239759,,,,0.0,,,,0.0,,,,,,,,,
CCC(CC)C(=O)N1c2ccc(F)cc2CCC1C,CID2886593,,,,,,,,0.0,,0.0,,,0.0,,,,
COCC(=O)N1CCCc2ccccc21,CID798724,,,0.0,,,,,,,,,,,,0.0,0.0,
COc1ccc(C(=O)NC(C)c2nc3ccccc3n2C)cc1OC,CID3245667,,,,,0.0,,,,,,,,,,,,
COc1ccc(C(=O)NC(C)c2nc3ccccc3[nH]2)cc1OC,CID3239363,,,0.0,,,,,,,,,,,,,,
COc1ccc(C(=O)NCc2nc3ccccc3[nH]2)cc1OC,CID751094,0.0,0.0,,0.0,,,0.0,,,,0.0,0.0,,,,,
CC(C)n1c(CNC(=O)c2ccccc2)nc2ccccc21,CID3243219,,,,,0.0,,0.0,,,,0.0,,0.0,,,0.0,
Cn1c(CNC(=O)c2ccc(F)cc2)nc2ccccc21,CID3265903,,,,,,,,0.0,0.0,,,,0.0,0.0,,,
CC(C)Cn1c(CNC(=O)c2ccccc2)nc2ccccc21,CID3240806,,0.0,0.0,,0.0,0.0,,,,0.0,,0.0,,,,,
CCCn1c(CNC(=O)c2ccccc2)nc2ccccc21,CID663541,0.0,,,0.0,0.0,0.0,,0.0,,,,0.0,0.0,,,0.0,
CCn1c(C(C)NC(=O)c2cccc(C)c2)nc2ccccc21,CID4105062,0.0,0.0,,,,,,,,,,,,,,0.0,
COc1ccccc1C(=O)NC(C)c1nc2ccccc2[nH]1,CID3235707,,,,,0.0,0.0,0.0,,,,,,,,,,
CCCn1c(C(C)NC(=O)c2ccccc2)nc2ccccc21,CID3243227,,,,,,,0.0,,,,,,,,,0.0,
CCn1c(CNC(=O)c2ccccc2)nc2ccccc21,CID2976257,,,,,0.0,,,0.0,,,,,,,,0.0,
CCn1c(CNC(=O)c2cccc(C)c2)nc2ccccc21,CID4082051,0.0,,,,0.0,,,,,,,,0.0,,,0.0,
CCn1c(C(C)NC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21,CID3236285,,0.0,,,0.0,0.0,0.0,,,,,,,,,,
CCOC(=O)CNC(=O)c1cnn2cccnc12,CID1975787,,,,0.0,,,,,0.0,,,,,,,,
COCCNC(=O)c1cc2ncc(Br)cn2n1,CID2237560,,,,,,,,,0.0,,,,,,,,
C=CCNC(=O)c1nn2cccnc2c1Cl,CID2171634,0.0,0.0,,0.0,,,,,,,,,0.0,,,0.0,
CCOC(=O)c1cnc2c([N+](=O)[O-])cnn2c1C,CID668032,,,,,,,,,,,,,,0.0,,,
Cc1cc(C(F)F)n2ncc(C(=O)O)c2n1,CID842761,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1cnc2c(C#N)c(C)nn2c1C,CID698967,,0.0,0.0,,,0.0,,,,,,,0.0,,,,
CC(=O)c1cnc2cc(C)nn2c1C,CID639252,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)n2ncc(C(=O)O)c2n1,CID744038,,,,,,,,,,,,,,,0.0,,
O=[N+]([O-])c1cnn2cc(Br)cnc12,CID1276705,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1c(C)nc2c(C#N)cnn2c1C,CID744061,,,,,,,,0.0,,,,,,0.0,,,
CCOC(=O)Cc1c(C)nc2c(C#N)c(C)nn2c1C,CID608159,,,,0.0,,,,0.0,,,,,,0.0,,,
Cc1cc(C(F)(F)F)n2ncc(C(=O)O)c2n1,CID4572525,,,,,,,,,,,,,,0.0,,,
C=CCc1c(C)nc2c(C(=O)O)cnn2c1C,CID3235916,,,,,,,0.0,,,,,,,,,,
CCOc1ccc(C(=O)Nc2ccncc2)cc1,CID803153,,,,,,,0.0,0.0,,,,0.0,,,,,
O=C(Nc1ccncc1)c1c(F)cccc1F,CID1246120,,,,1.0,,,,,,,,,,,,,
O=C(Nc1ccncc1)c1cccc(F)c1,CID693068,,,0.0,,,,,0.0,,,,,,,,,
O=C(Nc1ccncc1)c1ccccc1F,CID579342,,,,1.0,,,,,,,,0.0,0.0,,,,
O=C(Nc1ccncc1)c1cc(F)cc(F)c1,CID4695530,,,,,,,,,,,,,,,0.0,,
CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccncc2)ccc1Cl,CID2326513,0.0,,,0.0,0.0,,,,,,,0.0,,,,,0.0
CC(C)(C)C(=O)Nc1ccccc1C(=O)Nc1ccncc1,CID777761,,,,,,,,,,,0.0,,,,,,
CN(C)c1cccc(C(=O)Nc2ccncc2)c1,CID845590,,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccncc1)c1ccccc1[N+](=O)[O-],CID766646,,,,,,,,,,,,,,,0.0,,
CCCCOc1ccc(C(=O)Nc2ccncc2)cc1,CID2232224,0.0,,,,,,,0.0,,0.0,,0.0,,,,0.0,
COc1cc(C(=O)Nc2ccncc2)cc(OC)c1OC,CID2306385,0.0,,,0.0,0.0,0.0,0.0,0.0,0.0,,,,,,,,
COCCSc1ccccc1C(=O)Nc1ccncc1,CID2218453,,0.0,,,0.0,,0.0,,,,,0.0,,,,,
COc1ccc(C(=O)Nc2ccncc2)cc1OC,CID814761,0.0,,0.0,0.0,,,,,,0.0,,,,,,,
Nn1c(SCC(=O)Nc2ccccc2F)nc2ccccc2c1=O,CID616423,,0.0,,,,,,0.0,,0.0,,,,,0.0,,
CCOC(=O)c1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCOC)c1,CID649901,,,,,,,,0.0,,,0.0,,0.0,,,0.0,
CCOc1ccc(OCC)c(NC(=O)CSc2nc3ccccc3c(=O)n2C)c1,CID650996,,0.0,0.0,,0.0,,,,,0.0,0.0,0.0,,,,,
COc1ccc(OC)c(NC(=O)CSc2nc3ccccc3c(=O)n2CCNC(C)=O)c1,CID3237416,,,0.0,,0.0,,,0.0,0.0,,0.0,,,,,,
COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCNC(C)=O)c(OC)c1,CID3242352,,0.0,0.0,,0.0,,,0.0,0.0,,,,,,,,
CCOCCCn1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nc2ccccc2c1=O,CID2119181,,,,0.0,0.0,,,,,,,,,,,0.0,
COc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1CCNC(C)=O,CID3239034,,,0.0,0.0,,,,0.0,,,,,0.0,,,,
CCOc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCNC(C)=O)cc1,CID3244041,,0.0,0.0,,,,,,,0.0,,,,,,0.0,
CCn1c(SCC(=O)Nc2ccccc2OC)nc2ccccc2c1=O,CID1132054,,,,,,,,,0.0,,0.0,,,0.0,,,
COCCn1c(SCC(=O)Nc2cccc(C(=O)OC)c2)nc2ccccc2c1=O,CID645908,,0.0,,0.0,,,0.0,,0.0,0.0,,,0.0,,,0.0,0.0
CCOC(=O)c1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2CC)c1,CID649720,,,,0.0,,,,0.0,,,,,,,,,
COCCCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nc2ccccc2c1=O,CID652967,,,,,,0.0,0.0,,,0.0,,,0.0,,,,
COCCCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nc2ccccc2c1=O,CID656282,,,,,,0.0,,,0.0,0.0,,,,,,0.0,0.0
COC(=O)c1[nH]c2cccc(C)c2c1NC(=O)CN1CCN(c2ccccc2OC)CC1,CID665218,,0.0,,,,,,,0.0,,,,,,0.0,,
COC(=O)c1c(NC(=O)CN2CCN(c3ccccc3OC)CC2)c2c(C)cccc2n1C,CID665832,0.0,,0.0,,,,,0.0,,,,0.0,0.0,,,,
COC(=O)c1c(NC(=O)CN2CCN(c3ccccc3)CC2)c2c(C)cccc2n1C,CID665546,0.0,0.0,0.0,,,0.0,,,0.0,,,0.0,0.0,,,,
COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CCN(c2cccc(Cl)c2)CC1,CID660211,0.0,,,,0.0,,,,,,,,,,0.0,,0.0
COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CN1CCN(c2cccc(OC)c2)C(C)C1,CID664615,,,,,,,0.0,,,,,0.0,,,,,
COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCN(c2ccc(F)cc2)CC1,CID658309,,0.0,0.0,,,,,,0.0,,,,,,,0.0,0.0
COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CCN(c2cccc(OC)c2)C(C)C1,CID659000,,,,0.0,,,,0.0,,,,,,0.0,,0.0,0.0
COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCN(c2ccccc2)CC1,CID658751,,,0.0,,,,,,0.0,,,,,,,,0.0
COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)CN1CCN(c2ccccc2OC)CC1,CID664511,0.0,,,,,,,,,,,,,,,,0.0
COC(=O)c1c(NC(=O)CN2CCN(c3ccccc3OC)CC2)c2cc(C)ccc2n1C,CID666234,0.0,,,,,,,,,,0.0,0.0,,,,,0.0
COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CN1CCN(c2cccc(C)c2)C(C)C1,CID662427,,,,,,,,,,,,0.0,,,,0.0,
CCOC(=O)c1[nH]c2ccc(OCC)cc2c1NC(=O)CN1CCN(c2ccccc2)CC1,CID665411,0.0,,0.0,,,,,0.0,0.0,,,,,,,0.0,
Cc1[nH]c2ccccc2c1NC(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1,CID659301,0.0,,,,,,,,,,,,,,,,
CCOc1cc(C)c(Cl)cc1S(=O)(=O)n1nnc2ccccc21,CID1243533,0.0,,,0.0,0.0,,,,,0.0,,,0.0,,,,0.0
O=S(=O)(c1cc(Cl)ccc1Cl)n1nnc2ccccc21,CID683278,,,,,,,,,,,,,,,,,0.0
COc1ccc(OC)c(S(=O)(=O)n2nnc3ccccc32)c1,CID778392,,,,,,,,,,,,,,,0.0,0.0,
CCOc1ccc(Cl)cc1S(=O)(=O)n1nnc2ccccc21,CID976825,,,0.0,0.0,0.0,,,,,0.0,,0.0,,,,,0.0
Cc1cc(Br)c(S(=O)(=O)n2nnc3ccccc32)cc1C,CID3240357,,,,,,,0.0,,0.0,,0.0,,,0.0,,,
CCOc1ccc(S(=O)(=O)n2nnc3ccccc32)cc1C(C)C,CID2238887,,,,0.0,,,0.0,,,0.0,0.0,,,,0.0,0.0,0.0
O=S(=O)(c1ccc(Cl)cc1)n1nnc2ccccc21,CID691568,,,,,,,,,,0.0,,,,,0.0,,
COc1cc(C)c(S(=O)(=O)n2nnc3ccccc32)cc1C,CID802795,,,,,,,,,0.0,,,,,,,,
COc1ccc(Cl)cc1S(=O)(=O)n1nnc2ccccc21,CID652615,0.0,,,0.0,0.0,,,,,,,,0.0,,0.0,,0.0
CCOc1ccc(S(=O)(=O)n2nnc3ccccc32)cc1C,CID935119,,0.0,,0.0,,,0.0,,,,0.0,,,,0.0,0.0,0.0
COc1cc(S(=O)(=O)n2nnc3ccccc32)c(OC)cc1Cl,CID1289024,,,,0.0,0.0,,,,,,,,0.0,,,,
Cc1ccc(S(=O)(=O)n2nnc3ccccc32)c(C)c1C,CID802377,,,,,,,,,,,,,,,0.0,,
COc1ccc(OC)c(S(=O)(=O)n2nnc3cc(Cl)ccc32)c1,CID1254653,0.0,,,,0.0,0.0,,,,0.0,,,0.0,,,,
O=C(c1c(F)c(F)c(F)c(F)c1F)N1CCc2ccccc21,CID2167058,,,,,,,,,0.0,,,,,,,,
O=C(c1cccc(F)c1)N1CCc2ccccc21,CID807954,,,,,,,,0.0,,0.0,,,,,,,
Cc1ccc(C(=O)N2CCc3ccccc32)cc1,CID746888,,,,,,,,,0.0,0.0,,,,,,,
O=C(c1ccccc1)N1CCc2ccccc21,CID681214,,,,,,,,,0.0,0.0,0.0,,,,,,
COc1ccccc1C(=O)N1CCc2ccccc21,CID738379,0.0,,,,,,0.0,,0.0,0.0,0.0,,0.0,,,0.0,
CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCc3ccccc32)c1,CID2678429,,,,,,,,,,0.0,,,,,,,
COc1cc(C(=O)N2c3ccccc3CC2C)cc(OC)c1OC,CID607139,,0.0,,,,,,0.0,,,0.0,,,,,,
COc1ccc(C(=O)N2CCc3ccccc32)cc1,CID744403,,,,,,,,,0.0,0.0,0.0,,,,,,
COc1ccc(C(=O)N2c3ccccc3CC2C)cc1OC,CID2883470,,,0.0,,,,0.0,,,,,,0.0,,,,
O=C(c1ccccc1F)N1CCc2ccccc21,CID579820,,,,0.0,,0.0,,,,,,,,,,,
CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCc3ccccc32)ccc1Cl,CID2331668,,,,,,,,,,0.0,,,,,0.0,,
CN(C)S(=O)(=O)c1cccc(C(=O)N2CCc3ccccc32)c1,CID1262976,,,,0.0,,,,,,,,0.0,,,,,
CC(=O)Nc1ccccc1C(=O)N1CCc2ccccc21,CID647381,,,0.0,,0.0,,,0.0,,,,0.0,,,,,
CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(c3cccc(OC)c3OC)C2C1,CID3240857,,,,0.0,,,0.0,,,,,,0.0,,,,
Cc1ccc(C2C3CN(C(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1,CID657598,,,,0.0,,,,,,,,,,,0.0,,
CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(c3ccccc3)C2C1,CID657591,,,0.0,,,,,,,,,,,0.0,0.0,,
COc1cc(C2C3CNCC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OC(C)C,CID660880,,,,,,,,,0.0,,,0.0,,,,,0.0
CCCOc1ccc(C2C3CN(C(=O)OCC)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC,CID660103,,,0.0,0.0,,,,,,,,,,,,,
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(c3ccc(OC(C)C)c(OCC)c3)C2C1,CID660713,,,,0.0,,,,,,,,,,,,,
CCCCOc1ccc(C2C3CN(C(=O)OCC)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC,CID660532,,0.0,,,,,0.0,,,,,,0.0,,,,
CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(c3cc(Cl)ccc3Cl)C2C1,CID655504,0.0,,,,,,,,,,,,,,,0.0,
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(c3ccccc3OCC)C2C1,CID660115,,,0.0,,,,,0.0,,,0.0,,0.0,,,,
COc1cc(C2C3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OC(C)C,CID650713,,,,,,,,,,,0.0,,,,,,
COc1cccc(C2C3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1OC,CID648447,,,,,,,,,,,,,0.0,,,,
CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(c3cccc(Cl)c3)C2C1,CID657744,,,,,,,0.0,,,,,,,,,0.0,
CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(c3cc(OC)ccc3OC)C2C1,CID651025,,,,0.0,,0.0,0.0,,,,,,,,,,
CCOC(=O)Cn1c(CN2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C,CID978628,,,,,,,,0.0,,,,,,0.0,,,
CC1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCCO)CC(C)O1,CID667328,,,,,,,,,,,,,0.0,,,,
CC(C)CCn1c(CN2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C,CID4653534,,,,,,,,,0.0,0.0,,,,,,,
Cn1c(=O)c2c(nc(CN3CCOCC3)n2CCCO)n(C)c1=O,CID652062,,,,,,,,,,,,,0.0,,,,
CCOC(=O)Cn1c(CN2CC(C)OC(C)C2)nc2c1c(=O)n(C)c(=O)n2C,CID4618463,,,0.0,0.0,,,,,,,,,0.0,,,,
CCCCCn1c(CN2CC(C)OC(C)C2)nc2c1c(=O)n(C)c(=O)n2C,CID3255105,,,,,,,,,,,,,,,,,0.0
CCCCn1c(CN2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C,CID2988541,,0.0,,0.0,,,,0.0,,,,,0.0,,,,
COC(=O)Cn1c(CN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C,CID4145817,,,,,,,0.0,,,,,,,,,,
CCOC(=O)Cn1c(CN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C,CID4900691,,,,,,,,,,,,,0.0,,,,
CC1CN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2CC(N)=O)CC(C)O1,CID4899821,,,,0.0,,,,,,,,,,,,,
CC(C)CCn1c(CN2CC(C)OC(C)C2)nc2c1c(=O)n(C)c(=O)n2C,CID2991141,,,,,,,0.0,,,,,,,,,,
CCOCCn1c(CN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C,CID5310044,,,,,,,,0.0,,,,,,,,,
COC(=O)Cn1c(CN2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C,CID3869511,,0.0,,,,,0.0,0.0,,,,,,,,,
COc1cc(-c2nc(Cc3ccccc3Cl)no2)cc(OC)c1OC,CID3239541,,,,,,,,,,,,,,,,,0.0
Cc1ccccc1-c1nc(Cc2ccccc2)no1,CID818488,0.0,,,,,,0.0,,,,,,,,0.0,0.0,
O=[N+]([O-])c1ccc(-c2nc(Cc3ccccc3Cl)no2)cc1,CID874784,,,,,,0.0,,,,,,,,,,,
COc1ccc(-c2nc(Cc3ccc(Cl)cc3)no2)cc1OC,CID883674,,,,,,,,,,,,0.0,,0.0,,,
CCOc1ccc(-c2nc(Cc3c(F)cccc3Cl)no2)cc1,CID1352010,,,,,,0.0,,,,,,,,,,,
COc1ccccc1Cc1noc(-c2cc(Cl)ccc2OC)n1,CID957338,,0.0,0.0,,,,,,,,,,,0.0,,0.0,0.0
COc1cc(-c2nc(Cc3c(F)cccc3Cl)no2)cc(OC)c1OC,CID3243826,,,,,,,0.0,,,,,,,,,0.0,
COc1ccc(Cc2noc(-c3ccc(OC)c(OC)c3)n2)cc1,CID3142669,,,,,,0.0,,,,,,,,,,,
COc1ccc(Cc2noc(-c3ccc(C)cc3)n2)cc1,CID817371,0.0,,,,,,,0.0,,,,,,,,,
Cc1ccccc1-c1nc(Cc2ccc(Cl)cc2)no1,CID883703,,,,,,,,,,,,,0.0,,,0.0,
Cc1ccccc1-c1nc(Cc2ccccc2Cl)no1,CID2888293,,,,,,0.0,,,,,,,,,,,
COc1ccc(Cc2noc(-c3ccc(OC)c(OC)c3)n2)cc1OC,CID645424,0.0,,,,,0.0,0.0,0.0,0.0,0.0,,,0.0,,,,
COc1cccc(-c2nc(Cc3ccc(OC)c(OC)c3)no2)c1,CID789861,0.0,,0.0,,,0.0,0.0,,0.0,,,,0.0,,,,
C=CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1-c1ccco1,CID662101,0.0,0.0,,,0.0,0.0,0.0,,,,0.0,,,,,0.0,
Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccco3)n2N)c(C)c1,CID663079,,0.0,,0.0,0.0,,,,,0.0,,,,,,0.0,
CCn1c(SCC(=O)Nc2cc(C)c(Cl)cc2OC)nnc1-c1ccco1,CID1264900,,0.0,,,0.0,,,,,,,0.0,0.0,,,,0.0
CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1ccco1,CID3149095,,,,,,,,,0.0,,0.0,,,,,,
CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccco2)n1N,CID663155,,,,,0.0,,,,,0.0,0.0,,,,,,0.0
CCOc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2C)cc1,CID650331,0.0,,,0.0,0.0,,0.0,,0.0,,0.0,,0.0,,,0.0,0.0
C=CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccco1,CID663014,0.0,,,0.0,0.0,,,,,,0.0,,0.0,,,0.0,0.0
Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccco2)n1N,CID663260,,0.0,0.0,0.0,,,,0.0,,0.0,,,,,,0.0,
CCc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1N,CID662544,,,,0.0,,,,0.0,,,,,,,,0.0,
COc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2C)cc1,CID645315,0.0,,,0.0,0.0,,0.0,,0.0,,,,0.0,,,0.0,
COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccco2)n1N,CID1973918,,,,,,0.0,,,,,,,,,,,
COc1cc(Cl)c(C)cc1NC(=O)CSc1nnc(-c2ccco2)n1CC(C)C,CID2525767,0.0,,,0.0,0.0,,,,,,,,,,,,
C=CCn1c(SCC(=O)Nc2cc(C)c(Cl)cc2OC)nnc1-c1ccco1,CID663050,0.0,0.0,,0.0,0.0,0.0,,,,,,0.0,,,,,0.0
COC(=O)c1ccccc1NC(=O)NCc1ccc(OC)c(OC)c1,CID971348,0.0,,,0.0,,,0.0,0.0,0.0,,0.0,,,,,,
CCOc1ccc(C(C)NC(=O)Nc2ccccc2C(=O)OC)cc1,CID2955298,,,,,,,,,0.0,,,0.0,,,,,
COc1ccc(CNC(=O)Nc2cccc(C)c2)cc1,CID738368,0.0,,0.0,,,,0.0,,,0.0,0.0,,0.0,,,0.0,
CCOc1ccccc1NC(=O)NCc1ccccc1F,CID6464393,,,,,,,,,,,,,,0.0,,,
Cc1ccc(CNC(=O)Nc2ccccc2)cc1,CID2301640,0.0,,,0.0,,,,,,0.0,,0.0,,,,0.0,
CCOC(=O)c1ccc(NC(=O)NCc2ccccc2)cc1,CID6457861,,,,,,,,,,,,,,0.0,,,
CN(Cc1ccccc1)C(=O)Nc1ccccc1,CID306455,,,0.0,0.0,,,,0.0,,,0.0,0.0,,,,0.0,
COc1cccc(NC(=O)NCc2ccccc2F)c1,CID6467470,,,,,,,,,,,,,,,0.0,,
COc1ccc(CNC(=O)Nc2ccc(C)cc2)cc1,CID2243562,0.0,,,0.0,,,0.0,,,,,,,,0.0,0.0,
COc1ccc(CNC(=O)Nc2ccc(OC)cc2)cc1,CID854403,,,0.0,,,,,,,,,0.0,,,,,0.0
COc1ccc(CNC(=O)Nc2cc(C)ccc2C)cc1,CID16189744,,,,,,,,,,,,,,,0.0,,
CC(=O)c1ccc(NC(=O)NCc2ccc(F)cc2)cc1,CID970517,,,,,,,,,,,,,,0.0,,,
COc1ccc(OC)c(NC(=O)NCc2ccc(F)cc2)c1,CID970768,,,,0.0,,,,0.0,,,,,0.0,,,,
Cc1ccccc1NC(=O)NCc1ccco1,CID2787280,,,,0.0,,,0.0,0.0,,0.0,,0.0,,0.0,,,
CC(C)(C)c1ccc(NC(=O)NCc2ccco2)cc1,CID798641,,,,,,0.0,,,,,,0.0,,,,0.0,
O=C(NCc1ccco1)Nc1ccc([N+](=O)[O-])cc1,CID239710,,,,,,,,,,,,,,,0.0,,
O=C(NCc1ccco1)Nc1ccc(Br)cc1Cl,CID971642,,,,,,,,,,,,,,,,0.0,
COC(=O)c1ccccc1NC(=O)NCc1ccco1,CID972011,0.0,,,,0.0,,0.0,,,0.0,,0.0,,,,,
CCCCN(CC)Cc1ccc(CNC(=O)Nc2ccc(F)cc2)o1,CID3530643,,,,,,,,,,0.0,,,,,,,
CC(=O)c1cccc(NC(=O)NCc2ccco2)c1,CID970404,,0.0,,,,,,0.0,,,,0.0,,,,,
CCCCN(CC)Cc1ccc(CNC(=O)Nc2ccccc2)o1,CID4571039,,,,,,0.0,,,,,,,,,,,
O=C(NCc1ccco1)Nc1ccccc1Cl,CID239679,,0.0,0.0,,,,,,,0.0,,,,,,0.0,
COc1ccc(C)cc1NC(=O)NCc1ccco1,CID970607,,,,,,,,,,,,,,,0.0,,
O=C(NCc1ccco1)Nc1ccc(Br)cc1,CID239940,0.0,,,,,,,,,,,0.0,,,,0.0,
CCOc1ccc(NC(=O)N(CCC(C)C)C(C)c2ccco2)cc1,CID3242378,,,,,,0.0,,,,,,,,,,,0.0
CCCCN(CC)Cc1ccc(CNC(=O)Nc2ccc(OC)cc2OC)o1,CID3240509,0.0,,,0.0,,,,0.0,0.0,,,,0.0,,,,0.0
CCCCn1c2ccc(F)cc2c2nnc(NN)nc21,CID6414465,,,,,,,,,,,,,,,0.0,,
CCCn1c2ccc(F)cc2c2nnc(NN)nc21,CID6414487,,,,,,,,,,,,,,0.0,,,
CCCn1c2ccccc2c2nnc(SCC(=O)OCC)nc21,CID3244188,,0.0,,,,,,,,,,,0.0,,,0.0,
COc1ccc2[nH]c3nc(SC(C)C)nnc3c2c1,CID5770870,,,,0.0,,,,,,,,,0.0,,0.0,,
CCOC(=O)C(CC)Sc1nnc2c3cc(C)ccc3n(C)c2n1,CID3216472,,,,,,0.0,,,,,,,,,,,
CCn1c2ccccc2c2nnc(SCC(=O)NCCOC)nc21,CID2997531,,,0.0,,,,,,,,,,,0.0,,,
CCSc1nnc2c(n1)[nH]c1c(C)cccc12,CID5310671,,,0.0,0.0,,,,,,,,,,,,,
COc1ccc2c(c1)c1nnc(SC)nc1n2C,CID649707,,0.0,,,,,,,,,0.0,,,,,,
CCCn1c2ccccc2c2nnc(SCC(=O)OC)nc21,CID2893681,,,,,,,0.0,,,,,,,,,0.0,0.0
C=CCn1c2ccccc2c2nnc(SCC(=O)NC(C(=O)OC)C(C)C)nc21,CID3237331,,,0.0,,,,,,,,,,0.0,,,,
C=CCSc1nnc2c(n1)[nH]c1c(C)cccc12,CID5310854,,,,,,,,,,,,,0.0,,,,
CCn1c2ccccc2c2nnc(SCC(=O)NC(C(=O)OC)C(C)C)nc21,CID3237932,,,0.0,,,,,,,,,,0.0,,,,
CCn1c2ccccc2c2nnc(SCC(N)=O)nc21,CID2856916,,,,,,,,,,0.0,,,,,,,
Cc1ccc(S(=O)(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1,CID319545,,,,,,,,,,,,0.0,,,,,
Cc1ccc(S(=O)(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1,CID310146,,,,,,,,,,,,,,,0.0,,
CCN(CC)c1ccc(/C=N/NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1,CID3399533,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C)c(S(=O)(=O)N/N=C/c2ccc(C(=O)O)cc2)c1,CID2094230,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C)c(S(=O)(=O)N/N=C/c2ccc(F)cc2)c1,CID2495444,,,,,,,,,,,,,,,0.0,,
COc1cccc(/C(C)=N/NS(=O)(=O)c2ccc(Cl)cc2)c1,CID879629,,,,,,,,,,,,,,0.0,0.0,,
C/C(=N\NS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1,CID792235,,,,,,,,,,,,,,,0.0,,
CC(=O)Nc1ccc(/C(C)=N/NS(=O)(=O)c2ccc(C)cc2)cc1,CID881463,,,,,,0.0,,,,,,,,,,,
CC(=O)NCc1ccc(S(=O)(=O)N/N=C/c2ccccc2)cc1,CID2303881,,,,,,,,,,,,,,0.0,,,
CC(=O)CNc1ccc(S(=O)(=O)N/N=C/c2ccccc2)cc1,CID2322593,,,,,,,,,,,,,,0.0,0.0,,
COC(=O)c1ccc(/C=N/NS(=O)(=O)c2cc(C)ccc2C)cc1,CID2128420,,,,,,,,,,,,,,,0.0,,
NC(=O)COc1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1,CID875448,,,,,,,,,,,,,,0.0,0.0,,
CC(=O)Nc1ccc(/C(C)=N/NS(=O)(=O)c2ccccc2)cc1,CID883032,,,,,,,,,,,,,,0.0,,,
COc1ccccc1C1Nc2cccc3cccc(c23)N1,CID727037,,,,,,,,,,0.0,,0.0,,,,,
COc1cc(C2Nc3cccc4cccc(c34)N2)ccc1OC(C)=O,CID655850,,,,,,,,,,,,0.0,0.0,,,,
Oc1ccc(C2Nc3cccc4cccc(c34)N2)c(O)c1,CID727028,,,,,,0.0,,,,,,,,,,,
COc1cc(OC)c(C2Nc3cccc4cccc(c34)N2)c(OC)c1,CID761632,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(C2Nc3cccc4cccc(c34)N2)cc1OC,CID761627,,,,,,0.0,,,,,,,,,,,
COc1cc(C2Nc3cccc4cccc(c34)N2)cc(OC)c1OC(C)=O,CID660445,,,,0.0,,,,,,,,,,,,,
O=[N+]([O-])c1cc(C2Nc3cccc4cccc(c34)N2)ccc1Cl,CID761628,,,,,,0.0,,,,,,,,,,,
Oc1ccccc1C1Nc2cccc3cccc(c23)N1,CID656216,0.0,,,0.0,,,0.0,,,,,0.0,,,,0.0,
COC(=O)c1ccc(C2Nc3cccc4cccc(c34)N2)cc1,CID668465,,,,,,,,,,,,,,,0.0,,
CCN(CC)c1ccc(C2Nc3cccc4cccc(c34)N2)c(O)c1,CID660794,0.0,,,,,0.0,,,,0.0,0.0,,,,,,0.0
COc1cc(C2Nc3cccc4cccc(c34)N2)cc(OC)c1O,CID761640,0.0,,,,,,,0.0,,,,,,,,,
O=[N+]([O-])c1ccccc1C1Nc2cccc3cccc(c23)N1,CID256654,,,,,,,,,,,,0.0,,,,,
CCOc1cc(C2Nc3cccc4cccc(c34)N2)ccc1O,CID760604,,,,,,,,,,0.0,,,,,,,
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)cc2C)C1c1cccnc1,CID5389999,,,,,,,,,,,0.0,,,,,,
COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN(C)C)C2c2cccnc2)cc1,CID5768636,,,,,,,,,,0.0,,,0.0,,,,
CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2cc(C)ccc2C)C1c1cccnc1,CID5769020,,,,,,0.0,,,,,,,,,,,
CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCOC)C2c2cccnc2)cc1,CID5389851,,,,,,,,,,,,,0.0,,,,
CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)C1c1cccnc1,CID5389333,,,0.0,,,,,,,,,,,,,,
C=CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(CCOC)C2c2cccnc2)cc1,CID5389771,,,0.0,,,,,,,,,,,,,,
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OCC(C)C)cc2)C1c1cccnc1,CID5389799,,,,,,,,0.0,,,,,,,,,0.0
CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCOC)C2c2cccnc2)cc1,CID5389795,,,,,,,,0.0,,,,,0.0,,,,
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OCC(C)C)cc2C)C1c1cccnc1,CID5310696,,,,,,,,0.0,,,,,0.0,,,,
CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(F)cc2)C1c1cccnc1,CID5389369,,,,,,,,0.0,,0.0,,,,,,0.0,
COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC(C)C)cc2)C1c1cccnc1,CID5389765,,,,,,,,0.0,,,,,,,,,
Cc1ccc(C)c(/C(O)=C2\C(=O)C(=O)N(CCCN(C)C)C2c2cccnc2)c1,CID5768983,,,,,,,,0.0,,,,,0.0,,,,
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC(C)C)cc2)C1c1cccnc1,CID5389862,,0.0,0.0,,,,,,,,,,0.0,0.0,0.0,,
N#CC1=C(N)N(c2ccccc2)C(=O)C1,CID2325119,,,,,,,,,,,,0.0,,,0.0,,
COC(=O)C1=C(C)N(c2ccc(S(N)(=O)=O)cc2)C(=O)C1,CID804430,,,0.0,,,,,,,,,,0.0,,,0.0,
N#CC1=C(N)N(c2ccc(F)cc2)C(=O)C1,CID947119,,,,,,,,,,,,0.0,,,,,
COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)C1,CID675085,,,,,,,0.0,,,0.0,,,,0.0,,0.0,0.0
COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)C1,CID585868,,,,,,,,,,,,,,,0.0,,
COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)C1,CID923199,,,,,,,0.0,0.0,,0.0,,,0.0,,,0.0,0.0
COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)C1,CID745111,,,,,,,,,,,,,0.0,,,0.0,
COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)C1,CID646063,,,,,,0.0,0.0,,0.0,0.0,,,0.0,0.0,0.0,0.0,
COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)C1,CID740860,,,,,,,,,,,,,,,,,0.0
COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=O)C1,CID923210,,,0.0,0.0,,,,,,,,,0.0,0.0,0.0,0.0,0.0
COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)C1,CID923206,0.0,,,,,,,0.0,0.0,0.0,,,0.0,0.0,,0.0,
CCOC(=O)c1ccc(N2C(=O)CC(C(=O)OC)=C2C)cc1,CID745113,,,,0.0,,,,,,,,,,0.0,,0.0,
CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)C1,CID699750,,,,,,,,,0.0,,0.0,,,0.0,,,
CCSc1nnc(NC(=O)C(CC)Oc2ccccc2)s1,CID3000041,0.0,,0.0,0.0,0.0,0.0,,,,0.0,,,,,,,
CCC(Oc1ccccc1)C(=O)Nc1nnc(C(F)(F)F)s1,CID2948040,0.0,,,,0.0,,,0.0,,0.0,,,,,,,
CCOc1ccccc1OCC(=O)Nc1nnc(COC)s1,CID650458,0.0,,,0.0,,,,,,,,,,,,0.0,0.0
CCOC(=O)Cc1nnc(NC(=O)COc2ccc(OC)cc2)s1,CID1400074,,,,,,,,,0.0,,,,,,,,
Cc1ccc(Cl)c(OCC(=O)Nc2nncs2)c1,CID2225490,0.0,,,,0.0,,,,,0.0,,,,,0.0,,0.0
CCSc1nnc(NC(=O)COc2ccccc2)s1,CID2852882,,,,,,0.0,,,0.0,0.0,,,,0.0,,,
Cc1nnc(NC(=O)COc2ccccc2)s1,CID811240,,,,,,,,,,0.0,0.0,0.0,,,,,
CCOC(=O)Cc1nnc(NC(=O)COc2ccc(C)cc2)s1,CID665231,0.0,0.0,,,,,,,,,,,,,,,
CCOC(=O)Cc1nnc(NC(=O)COc2ccc(F)cc2)s1,CID1399031,,,,,,,,,,,,,,0.0,,,
COc1ccc(OCC(=O)Nc2nnc(C)s2)cc1,CID2675083,,,,,,0.0,,,,0.0,,,,,,,
CCC(Oc1ccccc1)C(=O)Nc1nnc(C)s1,CID2932606,,,,0.0,,,0.0,,,0.0,,,,,0.0,0.0,
CCOc1ccccc1OCC(=O)Nc1nnc(C)s1,CID729595,0.0,0.0,0.0,0.0,,,0.0,,,,,0.0,,,,0.0,0.0
C=CCSc1nnc(NC(=O)COc2ccccc2)s1,CID2102404,,,,,,,,,,,,,,,0.0,,
Cc1ccccc1N1C(=O)CC(N2CCC(C(N)=O)CC2)C1=O,CID2943430,,,,,,,,,,,,,0.0,,,,
O=C1CC(N2CCC(O)CC2)C(=O)N1c1ccc(Br)cc1,CID2882742,0.0,,,,,,,,0.0,,0.0,0.0,,,,0.0,0.0
CCOC(=O)C1CCCN(C2CC(=O)N(c3cccc(C)c3)C2=O)C1,CID663254,,,,,,,0.0,,,0.0,,,,,,,
O=C1CC(N2CCCCC2)C(=O)N1c1ccccc1,CID250855,,,,,,,,,,,,0.0,,,,,
CCc1ccc(N2C(=O)CC(N3CCC(C(=O)OC)CC3)C2=O)cc1,CID2942947,,,,,,,,,0.0,,,,,,,,
CCOC(=O)c1ccc(N2C(=O)CC(N3CCC(C(=O)OCC)CC3)C2=O)cc1,CID2877574,,,0.0,,,0.0,,,0.0,,0.0,,,,0.0,,
CCCOc1ccc(N2C(=O)CC(N3CCC(C(=O)OCC)CC3)C2=O)cc1,CID2858493,,0.0,0.0,,0.0,,0.0,0.0,0.0,,,,0.0,,,,
CCCCCCOc1ccc(N2C(=O)CC(N3CCC(C(=O)OCC)CC3)C2=O)cc1,CID2859383,,,,0.0,0.0,,,,,,,,,,,,
CCOC(=O)C1CCN(C2CC(=O)N(c3ccc(OCC)cc3)C2=O)CC1,CID2897810,,,,,,,,0.0,,0.0,,,0.0,,0.0,,
CCOC(=O)C1CCN(C2CC(=O)N(c3cccc(Cl)c3)C2=O)CC1,CID3112072,,,0.0,,,,,,,,,,,,,0.0,
NC(=O)C1CCN(C2CC(=O)N(c3cccc(F)c3)C2=O)CC1,CID664849,,,,,,,,0.0,,0.0,0.0,,,,0.0,,
COc1ccc(N2C(=O)CC(N3CCC(C(N)=O)CC3)C2=O)cc1,CID2850792,,,,,,,,,,,,,0.0,0.0,,,
CCOC(=O)C1CCCN(C2CC(=O)N(c3ccc(C)c(C)c3)C2=O)C1,CID2945555,,,,0.0,,,,,,0.0,,,,,,,
Nn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccccn1,CID662316,,0.0,,,,,,,,,0.0,,0.0,,,0.0,
CCOc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2N)cc1,CID662890,,0.0,,,0.0,,,,,0.0,,,,,,0.0,
C=CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccccn1,CID662828,0.0,0.0,,,0.0,,,,,,0.0,,,,,0.0,
CCc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2C)cc1,CID663353,0.0,0.0,,,0.0,0.0,0.0,,,,,,,,0.0,,
CCn1c(SCC(=O)Nc2cc(NC(C)=O)ccc2OC)nnc1-c1ccccn1,CID1264902,,0.0,0.0,,,,,0.0,,,,,0.0,,,0.0,
COc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2N)cc1Cl,CID663228,,,,,0.0,,,,,,,,,,,,0.0
COc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2N)cc1,CID663006,,0.0,,,,,,,,0.0,0.0,,,,,0.0,
COc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2N)c(OC)c1,CID662430,,0.0,,,0.0,,,,,0.0,,,,,,0.0,
C=CCn1c(SCC(=O)Nc2cc(NC(C)=O)ccc2OC)nnc1-c1ccccn1,CID663193,,,,0.0,0.0,,,,0.0,,,,0.0,,,0.0,
Cc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2C)cc1,CID662353,0.0,0.0,,0.0,0.0,,0.0,,,,0.0,,,,,0.0,
COc1ccc(NC(C)=O)cc1NC(=O)CSc1nnc(-c2ccccn2)n1C,CID663445,,0.0,,0.0,0.0,,,,,,0.0,,,,,0.0,0.0
CC(C)c1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2C)cc1,CID662953,0.0,0.0,,,0.0,,0.0,0.0,,,0.0,,,,,,
CCOc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2C)cc1,CID4366229,,,,,,,,,,,,,,0.0,,,
O=C(Nc1nc2ccccc2s1)c1ccc(Cl)s1,CID2414873,,,,,,,,,0.0,0.0,,,,,,,
Cc1ccc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)s1,CID1225609,,,,,0.0,,,,0.0,,,,,0.0,,,
COc1ccc(OC)c2sc(NC(=O)c3ccc(Cl)s3)nc12,CID2159335,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(OC)c2sc(NC(=O)c3ccc(Br)s3)nc12,CID2159329,,,,,,,,,,,,,,,,0.0,
CS(=O)(=O)c1ccc2nc(NC(=O)c3cccs3)sc2c1,CID670282,,,,,0.0,,0.0,,0.0,,,,0.0,0.0,,,
COc1ccc2nc(NC(=O)c3ccc(Br)s3)sc2c1,CID1247114,,,,,,,,,,,,0.0,,,,0.0,
CCN(CC)S(=O)(=O)c1ccc2nc(NC(=O)c3cccs3)sc2c1,CID1296934,,,,0.0,0.0,,,,,,,,,,,,
Cc1ccc2nc(NC(=O)c3ccc(Cl)s3)sc2c1,CID2330197,,,,,,,,,0.0,,,,,,,,
CCOC(=O)c1ccc2nc(NC(=O)c3cccs3)sc2c1,CID656379,,,,,,,0.0,,,,0.0,,0.0,,0.0,,
Cc1ccc(C(=O)Nc2nc3ccccc3s2)s1,CID1245575,,,0.0,,0.0,,0.0,,,0.0,,,,0.0,,,
Cc1cccc2sc(NC(=O)c3ccc(Cl)s3)nc12,CID896899,,0.0,0.0,,,,,,0.0,,,,,,0.0,,0.0
CN(C)S(=O)(=O)c1ccc2nc(NC(=O)c3cccs3)sc2c1,CID2954087,,,,,,,,,0.0,,,0.0,,,,,
Cc1ccc2nc(NC(=O)c3cccs3)sc2c1,CID739615,,,0.0,,0.0,,0.0,,,0.0,,,0.0,,,,
CCOc1ccc(N2C(=O)CC(NCc3ccc(F)cc3)C2=O)cc1,CID2877718,,,,0.0,,,,,,,,,,,,,0.0
CCC(=O)N(Cc1ccc(S(N)(=O)=O)cc1)C1CC(=O)N(c2ccc(OC)cc2)C1=O,CID654696,,0.0,,,,,,,,0.0,0.0,0.0,,0.0,,,
COC(=O)c1ccc(N2C(=O)CC(NCc3ccccc3)C2=O)cc1,CID2882431,,,,0.0,,,,0.0,0.0,,,,0.0,,,0.0,
COc1ccc(N2C(=O)CC(N(Cc3ccc(S(N)(=O)=O)cc3)C(C)=O)C2=O)cc1,CID660394,,,,0.0,0.0,,,,0.0,,,,0.0,0.0,,,
CCOC(=O)c1ccc(N2C(=O)CC(N(C)Cc3ccccc3)C2=O)cc1,CID2877407,,,,,,0.0,,,,0.0,,,,,,,
CCOc1ccc(N2C(=O)CC(N(C)Cc3ccccc3)C2=O)cc1,CID2839652,,,,,,,,,,,,,,,0.0,,
CCOc1cccc(N2C(=O)CC(NCc3ccc(S(N)(=O)=O)cc3)C2=O)c1,CID2866685,,,,,0.0,,,0.0,0.0,,,,,,,,
O=C1CC(NCc2ccccc2F)C(=O)N1c1ccccc1,CID648459,,,0.0,,,,,0.0,,,,,,,,,
COc1ccc(N2C(=O)CC(NCc3cccc(F)c3)C2=O)cc1,CID2928788,,,0.0,,,,,0.0,,,,,,,,,
CN(Cc1ccccc1)C1CC(=O)N(c2ccc(C(=O)O)cc2)C1=O,CID2838675,,,,,,,0.0,,,,0.0,,,0.0,,,0.0
COC(=O)c1ccc(N2C(=O)CC(N(C)Cc3ccccc3)C2=O)cc1,CID2866648,,,,,0.0,,,0.0,,0.0,,,,,,,0.0
CNC(=S)N(Cc1ccc(OC)cc1)C1CC(=O)N(c2ccc(OC)cc2)C1=O,CID2869079,,,,,,,,,,,,0.0,,,,,
CCCOc1ccc(N2C(=O)CC(N(Cc3ccc(S(N)(=O)=O)cc3)C(=O)CC)C2=O)cc1,CID660616,,,,,0.0,,,,0.0,,,0.0,,,,,
COc1ccc(N2CCN(C(=O)C(OC(C)=O)c3ccccc3)CC2)cc1,CID2931753,0.0,,,,0.0,,0.0,,,,,,,,,,
COc1ccccc1CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1,CID1312683,,,,0.0,,,,,,,,,,,,,0.0
O=C(Cc1ccc(Br)cc1)N1CCN(c2ccccc2O)CC1,CID2427846,,,,,,,,,,,,0.0,,,,,
CCC(=O)c1ccc(N2CCN(C(=O)Cc3ccccc3)CC2)c(F)c1,CID1290001,,,,,,,,,,,,0.0,,,,0.0,
COc1ccccc1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1,CID2865285,,,,,,0.0,,,,,,,,0.0,,,
CCC(=O)c1cc(F)c(N2CCN(C(=O)Cc3ccccc3)CC2)cc1C,CID1306028,,,,,,,,,,,,0.0,,,,,
CC(=O)c1cc(F)c(N2CCN(C(=O)Cc3ccccc3)CC2)cc1C,CID1290053,,,,,,,,,,,,,,,,0.0,
O=C(Cc1ccc(Br)cc1)N1CCN(c2ccc(F)cc2)CC1,CID1212246,,,,,,,,,0.0,,0.0,,,,0.0,,
O=C(Cc1ccc(Br)cc1)N1CCN(c2ccccc2)CC1,CID1212243,0.0,,,,,,0.0,,,,0.0,0.0,,,0.0,0.0,0.0
CCC(C(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1,CID3845886,0.0,,,,0.0,,,,,,,,,,,0.0,
COc1cccc(CC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1,CID4878382,,,,,,,,,,,,,,,0.0,,
Cc1cccc(N2CCN(C(=O)Cc3ccc(Br)cc3)CC2)c1C,CID1346577,,,,,,,,,0.0,,,,,,,,
O=C(Cc1ccccc1[N+](=O)[O-])N1CCN(c2ccc(F)cc2)CC1,CID876710,,,,,,0.0,,,,,,,,,,,
Brc1cccc(-c2nc(-c3ccncc3)no2)c1,CID705822,,,,,,,,,0.0,,0.0,,,,,0.0,0.0
c1ccc(-c2nc(-c3ccncc3)no2)cc1,CID763852,,0.0,0.0,0.0,,,0.0,,,,,,,,0.0,,
CCOc1cc(-c2nc(-c3ccncc3)no2)cc(OCC)c1OCC,CID1084020,0.0,,,0.0,0.0,0.0,0.0,,0.0,,,,0.0,0.0,,,
CCOc1ccc(-c2nc(-c3ccncc3)no2)cc1OCC,CID976135,,,0.0,0.0,,,0.0,0.0,0.0,,,,0.0,,0.0,,
COc1ccc(Cl)cc1-c1nc(-c2ccncc2)no1,CID975862,,0.0,0.0,,,,0.0,,,,,0.0,0.0,,,,
CCc1ccc(-c2nc(-c3ccncc3)no2)cc1,CID867086,,,0.0,,,,,0.0,,,,,0.0,,,,
COc1ccc(-c2nc(-c3ccncc3)no2)cc1OC,CID867085,,,0.0,,,,,0.0,,,,,,0.0,,,
CC(C)(C)c1ccc(-c2nc(-c3ccncc3)no2)cc1,CID867088,,,0.0,,,,0.0,,,,,0.0,,0.0,0.0,,
COc1ccccc1-c1nc(-c2ccncc2)no1,CID652471,,,,0.0,,0.0,,0.0,,,,,0.0,0.0,0.0,,
Cc1cc(C)cc(-c2nc(-c3ccncc3)no2)c1,CID912581,,0.0,,0.0,,,,0.0,,,,,0.0,,,,
COc1cc(-c2nc(-c3ccncc3)no2)cc(OC)c1OC,CID705878,0.0,,0.0,,,,,,,,0.0,,0.0,0.0,,,0.0
Clc1ccc(Br)cc1-c1nc(-c2ccncc2)no1,CID978001,,,,,,,0.0,,,,,,,,,,0.0
CCCCc1ccc(-c2nc(-c3ccncc3)no2)cc1,CID2055443,,0.0,,,,0.0,0.0,,,,0.0,,,,0.0,,
COC(=O)CCSCc1cn2cc(Cl)ccc2n1,CID2999783,,,,,,,,,,0.0,,,0.0,,,,0.0
COC(=O)c1nc2cc(C)ccn2c1F,CID718831,,,0.0,0.0,,,,,,,,,,,,,
CCNC(=O)c1c(C)nc2ccccn12,CID789702,,,,0.0,,,,,,,,,,,,0.0,
CC(=O)c1c(C)nc2ccccn12,CID2735255,,,0.0,,,,,,,0.0,,,,,,,
CCCS(=O)(=O)NCc1cn2cccc(C)c2n1,CID3238358,,,0.0,,,,,0.0,,,,,,,,,0.0
NNC(=O)c1cn2ccccc2n1,CID3628165,,,,,,,,,,,,0.0,,,,,
O=Cc1c(Cl)nc2ccccn12,CID2064134,,,,,,,,,,,,,,0.0,,,
Cc1ccn2cc(CCNC(=O)CC(C)(C)C)nc2c1,CID3242115,,,0.0,,,,,,,,,,,,,0.0,
CCOC(=O)c1c(C)nc2cc(C)ccn12,CID682232,,,,,,,,0.0,,,,,0.0,,0.0,,
Cc1nc2ccc(Br)cn2c1NC(C)(C)C,CID650748,,,,,,,,,,,,,,,,0.0,0.0
CCOC(=O)c1cn2ccc(C)cc2n1,CID860187,,,,,,,,,,,,,,0.0,,,
CN(C)Cc1cnc2ccc(Cl)cn12,CID5260656,,,,,,,,,,,,0.0,,,,,
O=C(O)CSCc1cn2cc(Cl)ccc2n1,CID4262836,,,,,,,,,,,,0.0,,,,,
O=C(/C=C/Nc1ccc(Br)cc1F)c1ccco1,CID2197085,,,,,,,,,,,,,,,0.0,,
CC(=O)Nc1ccc(N/C=C/C(=O)c2ccc(C)o2)cc1,CID2193237,0.0,,,,,,0.0,,,,,0.0,,,,,0.0
CC(=O)Nc1ccc(N/C=C/C(=O)c2ccco2)cc1,CID2196100,0.0,,,,,,,,,,0.0,0.0,,,,0.0,
O=C(/C=C/Nc1ccc(F)cc1)c1ccco1,CID2195987,,,0.0,,,,,0.0,,,,,,,,,
C/C(=C\C(=O)c1ccc(C)o1)Nc1ccc(C(=O)O)cc1C,CID5739681,,0.0,,0.0,,,,0.0,,,,,,,0.0,,
CN(C)c1ccc(N/C=C/C(=O)c2ccco2)cc1,CID1980018,,,,,,,,,,0.0,,0.0,,,,,
Cc1ccc(C(=O)/C=C/Nc2ccccc2C(N)=O)o1,CID2193330,0.0,,,,0.0,,,0.0,,,,,,,,,
CCOC(=O)c1ccc(N/C=C/C(=O)c2ccco2)cc1,CID2248099,,,,,,,,,,0.0,,0.0,,,0.0,,
O=C(/C=C/Nc1ccc(F)c(Cl)c1)c1ccco1,CID2196534,0.0,,0.0,,,,,,0.0,,0.0,,,,,,
NC(=O)c1ccccc1N/C=C/C(=O)c1ccco1,CID1799331,0.0,0.0,,0.0,0.0,,0.0,,,,,,,,,,
Cc1ccc([N+](=O)[O-])cc1N/C=C/C(=O)c1ccco1,CID2251545,,,,,,0.0,,,,,,,,,,,
COc1ccc(OC)c(N/C(C)=C/C(=O)c2ccc(C)o2)c1,CID5739838,,,,,,,,0.0,,,,,,,,,
COC(=O)c1ccc(N/C(C)=C/C(=O)c2ccc(C)o2)cc1,CID5739922,,,0.0,,,,,,,,,,,,,,0.0
COCCNC(=O)c1onc(CSc2ccc(C)c(C)c2)c1C(=O)O,CID11958469,,,,,,,,,,,,,,0.0,,,
CCCCNC(=O)c1onc(CSc2cccc(C)c2)c1C(=O)O,CID11958478,,,,,,0.0,,,,,,0.0,,,,,
C=CCNC(=O)c1onc(CSc2cccc(C)c2)c1C(=O)O,CID11958659,,,,,,0.0,,,,,,,,,,,
Cc1cccc(SCc2noc(C(=O)NC(C)C)c2C(=O)O)c1,CID11958656,,,,,,0.0,,,,,,,,,,,
CCCCNC(=O)c1onc(CSc2ccccc2)c1C(=O)O,CID11958647,,,,,,,,,,,,,,0.0,,,
CCCCNC(=O)c1onc(CSc2ccccc2C)c1C(=O)O,CID11958646,,,,,,0.0,,,,,,,,,,,
CCCCNC(=O)c1onc(CSc2cccc(OC)c2)c1C(=O)O,CID11958670,,,,,,,,,,,,0.0,,,,,
CCCCNC(=O)c1onc(CSc2ccc(OC)cc2)c1C(=O)O,CID11958549,,,,,,0.0,,,,,,,,,,,
C=CCNC(=O)c1onc(CSc2cc(C)cc(C)c2)c1C(=O)O,CID11958666,,,,,,0.0,,,,,,,,,,,
C=CCNC(=O)c1onc(CSc2ccc(F)c(F)c2)c1C(=O)O,CID11958665,,,,,,,,,,,,,,,0.0,,
C=CCNC(=O)c1onc(CSc2ccccc2CC)c1C(=O)O,CID11958664,,,,,,0.0,,,,,,,,,,,
CCCCNC(=O)c1onc(CSc2cc(C)ccc2C)c1C(=O)O,CID11958669,,,,,,,,,,,,,,,0.0,,
COCCNC(=O)c1onc(CSc2ccccc2C)c1C(=O)O,CID11958585,,,,,,,,,,,,,,0.0,,,
COC(=O)CC1=C(C(=O)OC)C2(C(=O)N(C)c3ccccc32)C(C#N)=C(N)O1,CID648703,,0.0,0.0,,,,,,,,,,,,,,
CCOC(=O)C1=C(C)OC(N)=C(C(=O)OCC)C12C(=O)Nc1ccc(Br)cc12,CID655539,,,,,,,,,,,,,,,,0.0,0.0
CCOC(=O)C1=C(C)OC(N)=C(C(=O)OC)C12C(=O)Nc1ccc(Br)cc12,CID3245269,0.0,,,,,,0.0,,,,,,,,,,
CCOC(=O)CC1=C(C(=O)OCC)C2(C(=O)Nc3ccccc32)C(C#N)=C(N)O1,CID644765,,,,,,,0.0,0.0,,,,,0.0,,,,
CC(=O)C1=C(C)OC(N)=C(C(=O)OC(C)C)C12C(=O)Nc1ccccc12,CID2961861,,0.0,,,0.0,,,,,,,,,,,,
CCOC(=O)C1=C(N)OC(C)=C(C(=O)OCCOC)C12C(=O)Nc1ccccc12,CID3239646,,,,0.0,0.0,,,,,,,,,,,,
COCCOC(=O)C1=C(C)OC(N)=C(C(=O)OC)C12C(=O)Nc1ccccc12,CID3238998,,,0.0,,0.0,,0.0,,,,,,,,,,
C=CCOC(=O)C1=C(C)OC(N)=C(C(=O)OCC)C12C(=O)N(CC(N)=O)c1ccccc12,CID3242178,,,,,,,,,,,,,0.0,,,,
CCOC(=O)C1=C(C)OC(N)=C(C#N)C12C(=O)N(C)c1ccccc12,CID3156113,,,,,,,,,0.0,,,,,,,,
COCCOC(=O)C1=C(N)OC(C)=C(C(=O)OC)C12C(=O)Nc1ccccc12,CID2861197,,,,,0.0,,,,,,,,0.0,,,,
COC(=O)CC1=C(C(=O)OC)C2(C(=O)Nc3c(C)cccc32)C(C#N)=C(N)O1,CID667317,,0.0,,0.0,0.0,,,,,,0.0,,,,,,
CCOC(=O)C1=C(C)OC(N)=C(C#N)C12C(=O)Nc1ccc(C)cc12,CID654255,,,0.0,,,0.0,,0.0,,,0.0,,,,,,
COC(=O)C1=C(N)OC(C)=C(C(C)=O)C12C(=O)N(C)c1ccccc12,CID665348,,,,,0.0,,,,,,,,,,,,
COc1cc(NC(=O)CSc2nnc(C)s2)cc(OC)c1OC,CID1259968,,,0.0,,0.0,,,,,0.0,,,,0.0,,,
COc1ccc(NC(=O)CSc2nncs2)cc1OC,CID2532477,0.0,,,0.0,0.0,0.0,0.0,,,0.0,0.0,,,0.0,0.0,,
CCC(=O)Nc1nnc(SCC(=O)Nc2ccc(F)cc2)s1,CID654885,0.0,,,,0.0,,0.0,,,,,,,0.0,,,
COc1ccc(OC)c(NC(=O)CSc2nnc(N)s2)c1,CID2176354,,,,,,,,,0.0,0.0,,,,,,,
COc1cc(NC(=O)CSc2nnc(C)s2)cc(OC)c1,CID645696,0.0,,,,0.0,,0.0,,0.0,,0.0,,0.0,0.0,,,
CSc1cccc(NC(=O)CSc2nnc(C)s2)c1,CID971203,,,,,0.0,,,,0.0,,,,,,,,
CSc1ccccc1NC(=O)CSc1nncs1,CID2532481,,,,,,,,,,,,,,,0.0,,
COc1cccc(NC(=O)CSc2nnc(C)s2)c1,CID763323,0.0,0.0,0.0,,0.0,,0.0,,0.0,0.0,,,0.0,0.0,0.0,,
CC(C)Nc1nnc(SCC(=O)Nc2ccc(F)cc2)s1,CID2501872,0.0,,0.0,0.0,0.0,,0.0,,,,,,0.0,,,,
CCN(CC)c1ccc(NC(=O)CSc2nnc(N)s2)cc1C,CID1289394,0.0,0.0,,0.0,0.0,0.0,0.0,,0.0,0.0,,,,,,,
Nc1nnc(SCC(=O)Nc2ccc(Cl)c(C(=O)O)c2)s1,CID2229196,,,,,,,,,,,,,,0.0,,,
COc1ccc(NC(=O)CSc2nnc(N)s2)cc1,CID698766,,,0.0,,,,,,0.0,,,,0.0,,,,
CC(C)(C)CC(=O)Nc1nnc(SCC(=O)Nc2ccccc2F)s1,CID1470637,,,,,,,,,,,,,,0.0,,,
Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccccc2)cc1,CID865210,,,,,,,,,0.0,,,,,,,,
COc1ccccc1-n1c(C)nnc1SCC(=O)Nc1cccc(C(C)=O)c1,CID653773,0.0,,0.0,0.0,,,0.0,0.0,,,0.0,,,,,0.0,
COC(=O)c1ccc(NC(=O)CSc2nnc(C)n2-c2ccccc2)cc1,CID1156898,0.0,0.0,0.0,0.0,0.0,,0.0,,,,,,,,,0.0,0.0
COCc1nnc(SCC(=O)Nc2cccc(Cl)c2C)n1-c1ccccc1,CID990808,0.0,0.0,,0.0,0.0,0.0,,,0.0,,,0.0,0.0,,,,0.0
CCOC(=O)c1ccc(NC(=O)CSc2nnc(C)n2-c2ccccc2)cc1,CID2201536,0.0,,0.0,,0.0,0.0,0.0,0.0,,,0.0,,0.0,,,0.0,0.0
CCOC(=O)CN(C(=O)CSc1nnc(C)n1-c1ccccc1)c1cccc([N+](=O)[O-])c1,CID3137484,,,,,,,,,0.0,,,,,,,,
Nc1nnc(SCC(=O)Nc2ccc(F)c(Cl)c2)n1-c1ccccc1,CID1292029,,0.0,,0.0,0.0,,,,,,0.0,,,,,,
Cc1ccc(NC(=O)CSc2nnc(C)n2-c2ccccc2)cc1,CID798141,,,,,,,,,,,0.0,,,,,,
Cc1c(Cl)cccc1NC(=O)CSc1nnc(C)n1-c1ccccc1,CID656074,0.0,0.0,,,0.0,,,,,,,,,,0.0,,0.0
COc1ccccc1-n1c(C)nnc1SCC(=O)Nc1cc(C)cc(C)c1,CID651121,0.0,0.0,,,0.0,,0.0,0.0,,,0.0,,,,,0.0,
Cc1ccc(Cl)cc1NC(=O)CSc1nnc(C)n1-c1ccccc1,CID644539,0.0,0.0,0.0,0.0,0.0,,,,,,,0.0,,,,,
COc1ccc(OC)c(NC(=O)CSc2nnc(CCCO)n2-c2ccccc2)c1,CID2216494,,,,,0.0,,,0.0,,,,,0.0,,,0.0,0.0
CCOC(=O)CN(C(=O)CSc1nnc(C)n1-c1ccccc1)c1ccccc1,CID648357,0.0,0.0,,,,,,0.0,,,,,0.0,,,0.0,0.0
CCOC(=O)N1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cc(C)ccc2C)CC1,CID667309,0.0,,,,,,,,,,,,0.0,,,,
CCOC(=O)N1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(C)c2)CC1,CID667135,,,,,,,,,,0.0,,0.0,,,,,
CCOC(=O)N1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)CC1,CID2991757,0.0,,,,,,,,,0.0,0.0,,0.0,,,,
CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2Cl)CC1,CID4453937,,,0.0,,,,,,,,0.0,,,,0.0,,
CCN1CCN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2Cl)CC1,CID4898223,0.0,0.0,,,,,,,,,,,,,,,
CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2Cl)CC1,CID5153272,,,,0.0,,,,,,,,,0.0,,,,
CCOC(=O)N1CCN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2C)CC1,CID3235784,,,0.0,,,,,,,0.0,,,,,,,
CN1CCN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2c(F)cccc2Cl)CC1,CID4903991,0.0,,,,,,,,,,,,,,,0.0,
CCOC(=O)N1CCN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cc(C)ccc2C)CC1,CID3237606,,,,,,,,,,0.0,,,,,,,
CCOC(=O)N1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(F)cc2)CC1,CID3382936,,,,,,,,,0.0,,,,,,,,
CCOC(=O)N1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2C)CC1,CID666287,,,,,,,0.0,,,,,0.0,0.0,,,,
CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2Cl)CC1,CID4972232,0.0,,,,,,,,,,,,,,,,
Cn1c(=O)c2c(nc(CN3CCN(CCO)CC3)n2Cc2ccccc2Cl)n(C)c1=O,CID4899142,,0.0,,,,,,,,,,,,,,,
O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1ccccc1F,CID779019,,,,,,,,,,0.0,,,,,,,
O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1cccc(F)c1,CID935245,,0.0,,0.0,,,,,,,,,,,,0.0,0.0
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(OC(C)C)cc1,CID5042941,,,,,,,,,,,,,,,0.0,,
COc1c(Cl)cc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1Cl,CID1364235,,,,,,0.0,,,,,,,,,,,
CC(=O)c1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1,CID803418,,,,,,0.0,,,0.0,,,,0.0,0.0,,,
CC(C)c1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1,CID738877,,,,,0.0,,,,,,,,,,,,
CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1,CID671014,,,,,,,,,0.0,,,0.0,,,,,
CSc1ccc(Cl)c(C(=O)Nc2ccc(N3CCOCC3)cc2)c1,CID2460714,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1,CID679960,0.0,,,,0.0,,,0.0,0.0,,0.0,0.0,0.0,,,,
CCOc1cc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc(OCC)c1OCC,CID1112718,,,,,,0.0,,,,,,,,,,,
CCOc1cc(OCC)cc(C(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)c1,CID1362771,,,,,,0.0,,,,,,,,,,,
CC(C)COc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)cc1,CID1123574,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1OC,CID671015,0.0,,,,,,0.0,,0.0,,,,,0.0,,,
O=C(CCN1CCN(c2ccccc2)CC1)Nc1ccccc1F,CID771436,,0.0,0.0,,,,,,,,,,,,,,
COc1ccc(OC)c(NC(=O)CCN2CCN(c3ccccc3)CC2)c1,CID651777,0.0,,,0.0,,,,,,,,,0.0,,,,0.0
O=C(CCN1CCN(c2ccc(F)cc2)CC1)Nc1ccc(F)cc1,CID3238164,0.0,,,0.0,,,,,,,,,,,,,
O=C(CCN1CCN(c2ccc(F)cc2)CC1)Nc1ccccc1F,CID3236146,0.0,,,,,,,,,,,,,,,,
O=C(CCN1CCN(c2ccccc2F)CC1)Nc1ccccc1F,CID3245180,0.0,,,,,,,,,,,,,,,,
COc1cc(NC(=O)CCN2CCN(c3ccccc3F)CC2)cc(OC)c1,CID645625,,,0.0,,,,,0.0,0.0,,,,,,,,
CCOc1ccc(NC(=O)CCN2CCN(c3ccccc3OC)CC2)cc1,CID3241082,0.0,,,0.0,,,0.0,,,,,,,,,,
COC(=O)c1ccc(NC(=O)CCN2CCN(c3ccccc3)CC2)cc1,CID632654,0.0,0.0,,0.0,,,,,0.0,,,0.0,,,,,0.0
COc1ccc(Cl)cc1NC(=O)CCN1CCN(c2ccccc2C)CC1,CID651119,,,,,,0.0,0.0,0.0,,,,,0.0,,,0.0,
COc1ccc(OC)c(NC(=O)CCN2CCN(c3ccccc3F)CC2)c1,CID2902043,,,,,,,,,,,0.0,,,,,,
O=C(CCN1CCN(c2ccc(Cl)cc2)CC1)Nc1ccccc1F,CID3240231,0.0,,,,,,,,,,,,,,0.0,0.0,
O=C(CCN1CCN(c2ccccc2)CC1)Nc1ccc(Cl)cc1,CID687128,,,,,,,,,,,,0.0,,,,,
CCOc1ccc(NC(=O)CCN2CCN(c3ccccc3)CC2)cc1,CID631854,0.0,,,,,,,,,,0.0,0.0,,,,,
COc1ccc(OCC(O)Cn2ccnc2C)cc1,CID2884522,,,,,,,,,,0.0,,,,,,,
Cc1cc(C)c(C)c(OCCCn2ccnc2)c1,CID2843843,,,,,,0.0,,,0.0,0.0,,,,,,,
COC(=O)c1cccc(OCC(O)Cn2ccnc2)c1,CID2964781,,,,,,,,0.0,,0.0,,,,,,,0.0
Cc1cc(OCCCn2ccnc2)cc(C)c1Cl,CID2852681,0.0,0.0,0.0,0.0,,,,,,0.0,0.0,,,,,0.0,0.0
Cc1cccc(C)c1OCC(O)Cn1ccnc1C,CID3398598,,,,,,,,,,,,,0.0,,,,
Cc1cc(OCCCn2ccnc2)cc(C(C)C)c1,CID2922439,,,,,,,,,,,,,,,0.0,,
Cc1cc(Cl)c(OCCCn2ccnc2)c(Br)c1,CID2922660,,,,,,,,,,,,,,0.0,,,
Cc1cccc(OCCCn2ccnc2)c1,CID2841257,,,,,,,,0.0,,,,,,,,0.0,
Cc1nccn1CC(O)COc1ccccc1,CID3144349,,,,,,,,,,0.0,0.0,,,,,,
COc1cc(OC)cc(OCC(O)Cn2ccnc2)c1,CID2963341,,,,,,,,,,0.0,,,,,,,
COc1cc(OC)cc(OCC(O)Cn2ccnc2C)c1,CID654315,,,,,,,,,,,,,0.0,,,,
C=CCc1ccccc1OCC(O)Cn1ccnc1C,CID2916117,,,,0.0,0.0,0.0,,0.0,,,,,,,,0.0,
Cc1ccc(OCCCn2ccnc2)cc1C,CID2843780,,,,,,,,,0.0,0.0,,,,,,,
COc1cccc(C(=O)N(Cc2nc(-c3cccc(C)c3)no2)C(C)C)c1OC,CID2980615,,,0.0,0.0,0.0,,,0.0,0.0,,,,0.0,,,0.0,
CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(Cl)cc1,CID5308458,0.0,,,,,,0.0,,,,,,,,,0.0,
COc1cccc(C(=O)N(Cc2nc(-c3ccc(C)cc3)no2)C(C)C)c1,CID2226351,,0.0,0.0,,0.0,,0.0,0.0,0.0,0.0,0.0,0.0,,,,,0.0
CSCCC(NC(=O)c1ccccc1)c1nc(-c2ccccc2)no1,CID653048,0.0,0.0,,,0.0,,0.0,0.0,,,,,,0.0,,0.0,0.0
COc1cc(OC)cc(C(=O)N(Cc2nc(-c3cccc(C)c3)no2)C(C)C)c1,CID2223954,0.0,,,,0.0,,,0.0,0.0,,,,,0.0,,,
Cc1ccc(C)c(C(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C(C)C)c1,CID5307868,0.0,,,,,0.0,,,,,,,,,,0.0,
Cc1ccc(-c2noc(CN(C(=O)c3cccc(Br)c3)C(C)C)n2)cc1,CID5307364,0.0,,,,,,,,,,,,,,,,
COc1ccc(C(=O)N(Cc2nc(-c3ccc(C)cc3)no2)C(C)C)cc1OC,CID3159101,0.0,,,,0.0,0.0,0.0,0.0,0.0,,0.0,0.0,,,0.0,,
COc1ccccc1C(=O)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(C)C,CID1299465,0.0,,,,0.0,,,,,,,,0.0,,,0.0,0.0
COc1cc(OC)cc(C(=O)NCc2nc(-c3ccccc3)no2)c1,CID1252416,,0.0,,,,,0.0,,0.0,,,,,0.0,,,
Cc1ccc(C(=O)N(Cc2nc(-c3ccc(C)cc3)no2)C(C)C)cc1,CID956146,0.0,,,,,0.0,0.0,,0.0,,0.0,0.0,0.0,,,,
COc1ccc(Cl)cc1C(=O)N(Cc1nc(-c2cccc(C)c2)no1)C(C)C,CID5308564,0.0,,,,,0.0,,,,,0.0,,0.0,,,0.0,
COc1ccc(-c2noc(CN(C(=O)c3ccc(OC(C)=O)cc3)C(C)C)n2)cc1OC,CID1253864,,,,,0.0,,,,0.0,,,,0.0,,,,
Cc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccccc3)c2N)cc1C,CID3240824,,,,,,,0.0,,,0.0,,0.0,,,,0.0,
Cc1ccc(C)c(NC(=O)Cn2nnc(C(=O)Nc3c(C)cccc3C)c2N)c1,CID3238204,,0.0,0.0,0.0,,,,,,,0.0,,,,,0.0,0.0
COc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccccc2)c1N,CID3241324,,,,0.0,,,,,,0.0,,,,,,,
COc1ccccc1NC(=O)c1nnn(CC(=O)Nc2cccc(SC)c2)c1N,CID3239668,,0.0,0.0,,0.0,,,,,0.0,0.0,,,,,0.0,
CCOc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccccc3OC)c2N)cc1,CID3243751,,,,0.0,,,,,,,,,,,,,
CCOc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2ccccc2Cl)c1N,CID3238309,0.0,,,,0.0,,,,,,,,,,,0.0,
CCOc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2ccc(C)cc2)c1N,CID3237666,0.0,,,0.0,,,,,,,,0.0,,,,,
Cc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(C)c(C)c3)c2N)cc1,CID3239028,,0.0,,,,,,,,,,,0.0,,,,
CCc1ccccc1NC(=O)c1nnn(CC(=O)Nc2cccc(C)c2C)c1N,CID3239499,,0.0,0.0,,,,,,,,0.0,,,,,0.0,
CCc1ccccc1NC(=O)c1nnn(CC(=O)Nc2cccc(C)c2)c1N,CID3242529,,,,,,,0.0,,,,0.0,,,,,0.0,
CCc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccccc2C)c1N,CID2134777,,,,,,,,,,,,,,,,0.0,
CCOc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccccc3OCC)c2N)cc1,CID3245039,,0.0,,,,,,,,,,,,,,,
COc1cccc(NC(=O)Cn2nnc(C(=O)Nc3ccccc3)c2N)c1,CID3241488,,0.0,,,,,0.0,,,0.0,,,,,,0.0,
COc1ccc(C(=O)N2CCN=C2SC)cc1OC,CID3241983,,,0.0,0.0,0.0,,,,,0.0,,,0.0,,,,
CSC1=NCCN1C(=O)c1ccc(S(=O)(=O)N(C)C)cc1,CID4533272,,0.0,,,0.0,,,,,,,,,,,,
CCOc1ccccc1C(=O)N1CCN=C1SC,CID3241376,,0.0,,,0.0,0.0,,,,,,,,,,,
CSC1=NCCN1C(=O)c1cccc(C(F)(F)F)c1,CID3244879,,,,,0.0,,,,,,,0.0,,,,,0.0
CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCN=C2SC)cc1,CID3304200,0.0,,,0.0,0.0,,,,,,,,,,,,
CSC1=NCCN1C(=O)c1c(F)cccc1F,CID3243830,,,,,,,,,,,,,0.0,,,,
COc1ccccc1C(=O)N1CCN=C1SC,CID3238298,,0.0,0.0,,0.0,,0.0,,,,,,,,,,0.0
CCOc1ccc(C(=O)N2CCN=C2SC)cc1OCC,CID3235834,0.0,,0.0,0.0,0.0,,0.0,,,,,,,,,,0.0
CSC1=NCCN1C(=O)c1ccccc1F,CID3236905,,,,,,0.0,,,,,0.0,,0.0,,,,
COc1ccc(Cl)cc1C(=O)N1CCN=C1SC,CID4066557,,0.0,,,,,,,,,,,,,,,
CSC1=NCCN1C(=O)c1cccc(Br)c1,CID3245799,,,,,,,,,,,,,,,,0.0,
CCOc1cc(C(=O)N2CCN=C2SC)cc(OCC)c1OCC,CID3238906,0.0,,,,0.0,,,,,,,,,,,,
COc1ccc(C(=O)N2CCN=C2SC)cc1,CID5024635,,,,,,,,,,,,,,,0.0,,
COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1C,CID655887,,,,,0.0,,,,,,,,,,,,
COC(=O)C1CN(S(=O)(=O)c2ccc(C)cc2)CCN1S(=O)(=O)c1ccc(C)cc1,CID3235736,,,,,0.0,,,,,,,,,,,,
CCNC(=O)C1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1,CID655093,,,,,0.0,0.0,,,,,,,,,,,
COc1ccc(C)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2OC)CC1,CID1125110,,,,,0.0,,,,,,,,0.0,,,,
CCCNC(=O)C1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1,CID2943248,,,,,0.0,,,,,,,,,,0.0,,0.0
CCC(C)NC(=O)C1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1,CID2864284,,,0.0,,0.0,0.0,,,,,,,,,,,
CCOc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(OCC)cc3)C(C)C2)cc1,CID2920901,,,,,0.0,,0.0,,,,,,0.0,,,,
CCOC(=O)C1CN(S(=O)(=O)c2ccc(C)cc2)CCN1S(=O)(=O)c1ccc(C)cc1,CID2974596,,,,,0.0,,0.0,,,,0.0,,,,,,
COc1ccc(S(=O)(=O)N2CC(C)N(S(=O)(=O)c3ccc(OC)cc3)CC2C)cc1,CID2933592,,,,,0.0,,,,,,,,,,,,0.0
COC(=O)C1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1,CID2890675,,,,,,0.0,,,,,,0.0,,,,,
COc1ccc(C)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2OC)C(C)C1,CID2897110,,,,,0.0,,,,,,,,,,,,
CC(C)(C)NC(=O)C1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1,CID3127663,,,,,0.0,,,,,,0.0,,,,,,
CCOC(=O)C1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1,CID2981159,,,,,,,,,,,0.0,,,0.0,,,
CCOC(=O)c1sc(=S)n(C)c1C,CID341552,,,,,,,,,,,,0.0,,,,,
C=CCn1c(N)c(C(=O)OCC)sc1=S,CID698228,,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1sc(=S)n(CC)c1N,CID705556,,,0.0,,,,0.0,,,0.0,,,0.0,,,,0.0
Cc1c(NC(=O)OC(C)C)sc(=S)n1C,CID739237,,,,,,,,,,0.0,,,,,0.0,,
CCn1c(N)c(C(=O)NC)sc1=S,CID612424,,,0.0,,,,,,,,,,,,,,
C=CCn1c(NC(=O)CC)c(C(=O)OCC)sc1=S,CID2328724,,,,,,,,,,0.0,0.0,0.0,,,0.0,,
CCOC(=O)C(OC(=O)c1sc(=S)n(C)c1C)C(C)=O,CID660769,,,0.0,,0.0,,,,,,,0.0,,,,,
CCOC(=O)Cn1c(N)c(C(=O)OC)sc1=S,CID3238649,,,0.0,,,,,,,0.0,,,,,,,
CC(=O)NC(=O)Nc1sc(=S)n(C)c1C,CID661591,,,,,,,,,,0.0,,,,,,,
CC(=O)NCCOC(=O)Nc1sc(=S)n(C)c1C,CID3149159,,,,,,,,,,0.0,,,,,,,
COCCOC(=O)c1sc(=S)n(CCOC)c1N,CID2402693,,,,,,0.0,,,,,,,,,,,
CCOC(=O)Nc1sc(=S)n(C)c1C,CID644837,,,0.0,,,,,,,,,,0.0,,,,
CCn1c(N)c(C(=O)NCCCOC)sc1=S,CID3237465,,,,,,,,,,0.0,,,,,,,
CC(=O)Nc1cccc(NS(=O)(=O)Cc2ccc(Cl)cc2)c1,CID2228687,0.0,0.0,,0.0,,,,,,0.0,,,0.0,,,0.0,0.0
CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1,CID1306734,,,,,,,,,,0.0,,0.0,,0.0,,,
CC(=O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1,CID871369,,,0.0,0.0,,,0.0,0.0,0.0,,,0.0,,,,,
CC(C)(C)NS(=O)(=O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1,CID1310944,,,,,,,,,,,,,,0.0,,,
CC(=O)N(C)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1,CID884656,0.0,0.0,,0.0,,0.0,0.0,,,,0.0,0.0,,,,,0.0
NC(=O)c1ccccc1NS(=O)(=O)Cc1ccccc1,CID669704,,0.0,0.0,,0.0,0.0,0.0,,,,0.0,,,,,,
CC(=O)Nc1ccc(NS(=O)(=O)Cc2ccccc2)cc1,CID743927,,,,0.0,0.0,,0.0,,0.0,,,,,,,0.0,
COc1ccc(OC)c(NS(=O)(=O)Cc2ccccc2)c1,CID743624,,,0.0,,,,,,,,,,,,,,
CCOC(=O)c1cccc(NS(=O)(=O)Cc2ccccc2)c1,CID670317,,,,,,,,,,,,,,0.0,0.0,,
CC(=O)c1ccc(NS(=O)(=O)Cc2ccc(Cl)cc2)cc1,CID1249875,,,,,,,,,,0.0,,,,,,,
NC(=O)c1ccccc1NS(=O)(=O)Cc1ccc(Cl)cc1,CID2227897,0.0,,0.0,,,,0.0,,,,,,,,,,0.0
COc1ccc(NS(=O)(=O)Cc2ccccc2)cc1OC,CID778386,,,,,,,,,0.0,,,,,0.0,,,
COc1cccc(NS(=O)(=O)Cc2ccccc2)c1,CID778383,,,,,,,,,,,,,,0.0,,,
Nc1ccc(-n2ccnc2)cc1,CID320165,,,,0.0,,,,,,,,0.0,0.0,,,,
COC(=O)N/N=C(\C)c1ccc(-n2ccnc2)cc1,CID1471816,,,,,,,,,,,,,,,0.0,,
COC(=O)/C=C/c1ccc(-n2ccnc2)cc1,CID5875469,,,,,,,,,,,,,,0.0,,,
CCOc1ccccc1-n1cnc(C#N)c1N,CID1481175,,,,,,,,,,,,,,0.0,,,
CSc1ncc(C(=O)O)n1-c1ccc(F)cc1,CID2113884,,,,,,,,,,,,,0.0,,,,0.0
COc1ccccc1-n1cnc(N)c1C(C)=O,CID659744,,0.0,,0.0,,,,,0.0,,,,0.0,,0.0,,
CN(C)c1nc(/C=C(\C#N)C(N)=O)c(Cl)n1-c1ccc(F)cc1,CID2121560,,,,,,,,,,,,,,0.0,,,
COC(=O)c1c(N)nc(C)n1-c1ccc(OC)cc1,CID659078,,0.0,0.0,,,,0.0,,,,,0.0,,,0.0,,
O=C(O)CCCC(=O)Nc1ccccc1-n1ccnc1,CID654341,,,,0.0,,,,0.0,,,,,0.0,,,,
Cc1nccn1-c1ccc(C(F)(F)F)cc1NC=O,CID2998129,,,,0.0,,,,,0.0,,,,,,,,0.0
CNC(=S)N/N=C(\C)c1ccc(-n2ccnc2)cc1,CID5127143,,,,,,,,,,,0.0,,,,,,
Cc1c(Cl)cccc1-n1ccnc1SCC(=O)O,CID2998868,0.0,,,0.0,0.0,0.0,,,,,0.0,,,,,,
Cc1ccc(C)c(-n2ccnc2SCC(=O)O)c1,CID4961787,,,,,,0.0,,,,,,,,,,,
CCC(NC(C)c1ccccc1)=C1C(=O)N(C)C(=O)N(C)C1=O,CID5389588,,,0.0,,,,,0.0,,,,0.0,,,,,0.0
CCCCN1C(=O)NC(=O)/C(=C(/CC)NCc2ccc(F)cc2)C1=O,CID5778358,,,,,,0.0,,,,,,,,,,,
CCCCN1C(=O)NC(=O)/C(=C(/CC)NCc2cc(OC)cc(OC)c2)C1=O,CID5933933,,,,,,,,,,,0.0,,,,,,
CC(NCc1ccc(F)cc1)=C1C(=O)N(C)C(=O)N(C)C1=O,CID5389535,,,,,,,,0.0,,,,,,,,,
C=CCN1C(=O)NC(=O)/C(=C(/C)NCc2cc(OC)cc(OC)c2)C1=O,CID5389663,,,,0.0,,0.0,,,,,,,,,,,0.0
CCCCN1C(=O)NC(=O)/C(=C(\C)NC(C)c2ccccc2)C1=O,CID5389614,,,0.0,0.0,,,,,,,,,0.0,,,,
CC(NC=C1C(=O)NC(=O)NC1=O)c1ccccc1,CID5720741,,0.0,,0.0,,,,,,,,,,,,,
CCC(NCc1ccc(F)cc1)=C1C(=O)N(C)C(=O)N(C)C1=O,CID5389509,,,,,,0.0,,,,,,,,0.0,,,
C=CCN1C(=O)NC(=O)/C(=C(/CC)NC(C)c2ccccc2)C1=O,CID5930461,,,,,,,,,,,0.0,,,0.0,,,
C=CCN1C(=O)NC(=O)/C(=C(/CC)NCc2cc(OC)cc(OC)c2)C1=O,CID5389696,,,,,,,,0.0,,,,,,,,,
CCCCN1C(=O)NC(=O)/C(=C(/C)NCc2ccc(F)cc2)C1=O,CID5389623,,,0.0,,,,,,,,,,,,,,
CCCCN1C(=O)NC(=O)/C(=C(/CC)NC(C)c2ccccc2)C1=O,CID5932704,,,,,,0.0,,,,,,0.0,,,,,
CCC(NCc1cc(OC)cc(OC)c1)=C1C(=O)N(C)C(=O)N(C)C1=O,CID6284317,,,,,,,,,,,0.0,,,,,,
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OC)c3OC)C2=O)cc1,CID2201819,,,,,,0.0,,,,,,,,,,,
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(OC)c1OC,CID1353215,,,,,,,,,0.0,0.0,,,,,0.0,,
CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1Cl,CID2271219,,,,,,0.0,,,,,,,,,,,
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(OC)c1,CID2261715,,,,,,0.0,,,,,,,,,,,
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(F)cc1,CID2263748,,,,,,0.0,,,,,,,,,,,
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1,CID2261723,,,,,,0.0,,,,,,,,,,,
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c([N+](=O)[O-])cc1OC,CID1362739,,,,,,0.0,,,,,,,,,,,
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1,CID2261725,,,,,,0.0,,,,,,,,,,,
CC(C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)cc1,CID2258240,,,,,,0.0,,,,,,,,,,,
COC(=O)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1,CID1362704,,,,,,0.0,,,,,,,,,,,
O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccccc1,CID2891745,,,,,,0.0,,,,,,,,,,,
CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(OC)cc2)C1=O,CID1345703,,,,,,0.0,,,,,,,,,,,
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cl)cc3)C2=O)cc1,CID2208147,,,,,,0.0,,,,,,,,,,,
CC(C)COc1cc(=O)[nH]c(SCC(C)C)n1,CID877404,,,,0.0,0.0,,0.0,,,,,,0.0,,,,
CCN(CC)c1ncc(C)c(=O)[nH]1,CID602372,,,,0.0,,,,,,,,,,,,,
CCCCCSc1nc(O)cc(=O)[nH]1,CID660705,,,,,0.0,,0.0,,,,,,,,,,
CCCCCCc1c(O)nc(SCC(=O)O)[nH]c1=O,CID1953474,,,,0.0,,,0.0,,,,,,,,0.0,,
CCC(C)Sc1nc(O)cc(=O)[nH]1,CID2842590,,,,,0.0,,,,,,,,,,,,0.0
CCOC(=O)c1cnc(C(C)(C)C)[nH]c1=O,CID2304284,,,,,,,0.0,,,,,,0.0,,0.0,0.0,
CCc1c(C)nc(SC)n(CC#N)c1=O,CID661565,,,,0.0,,,,,0.0,,,,0.0,,,,
CC(C)(C)Sc1nc(O)cc(=O)[nH]1,CID662121,,,,,0.0,,0.0,,,,,,,,,,
CCOC(=O)c1cnc(SCC)[nH]c1=O,CID79655,,,,0.0,0.0,,,0.0,,,,,,,,,
C=CCn1c(SCC(N)=O)nc(C)cc1=O,CID974720,,0.0,,,,,0.0,,,,,,0.0,,,,
CC(C)(C)C(=O)CSc1nccc(=O)[nH]1,CID2338077,,,,,0.0,,,,,,,0.0,,,,,
CCSc1ncc(C#N)c(=O)[nH]1,CID658007,,,,0.0,,,,,,,,,0.0,,,0.0,
COc1cnc(SCC(=O)O)[nH]c1=O,CID1479169,,,,,,,,,,,,,,,0.0,,
CC(C)C(NC(=O)NC1CCCc2ccccc21)C(=O)O,CID664101,,,,,,0.0,,0.0,,,,,,,,,
CCCC(=O)Nc1cccc2c1CCCC2,CID652088,,,0.0,,,,0.0,,,0.0,,,0.0,,,0.0,
C/C(CC(=O)Nc1cccc2c1CCCC2)=N\NC=O,CID3146019,,,,,,,,,,,,,,,0.0,,
CCC(C)C(NC(=O)NC1CCCc2ccccc21)C(=O)O,CID663634,,0.0,,0.0,,,,,,0.0,,,,,,,
COC(=O)C(NC(=O)NC1CCCc2ccccc21)C(C)C,CID663758,,0.0,,,,,,,,0.0,,,,,0.0,0.0,
CCCNC(=O)NC1CCCc2ccccc21,CID6465362,,,,,,,,,,,,,,,0.0,,
CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2,CID39147,,,,0.0,0.0,,,0.0,,,,,,,,,
COC(=O)C(C)NC(=O)NC1CCCc2ccccc21,CID663500,,,,,,,,,,0.0,,,0.0,,,,
CC(=O)CC(=O)Nc1cccc2c1CCCC2,CID2885532,,,0.0,,,,,,,0.0,,,,,,,
CNC(=O)NC1CCCc2ccccc21,CID2832740,,,,,,,0.0,0.0,,,,,,,,0.0,0.0
CC(C)(C)CC(=O)Nc1cccc2c1CCCC2,CID2923279,,,,,,,,,,0.0,,,,,,,
COC(=O)C(CC(C)C)NC(=O)NC1CCCc2ccccc21,CID664321,,,,0.0,,,,,,,,,,,,,
O=C(O)COc1ccc2c(c1)CCCC2,CID3834220,,,,,,0.0,,,,,,,,,,0.0,
COc1ccc(C(=S)N2CCN(c3ccccc3)CC2)cc1,CID258996,,,,,,0.0,,,,,,,,,,,
Cc1ccccc1N1CCN(C(=S)c2ccc([N+](=O)[O-])cc2)CC1,CID799748,,,,,,,,,,,,,,0.0,,,
S=C(c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1,CID256553,,,,,,0.0,,,,,,,,,,,
CCCOc1ccc(C(=S)N2CCN(c3cccc(Cl)c3)CC2)cc1,CID1969203,,,,,,0.0,,,,,,,,,,,
Cc1ccccc1N1CCN(C(=S)c2ccc(N(C)C)cc2)CC1,CID875183,,,,,,0.0,,,,,,,,,,,
CN(C)c1ccc(C(=S)N2CCN(c3ccccc3)CC2)cc1,CID660327,,,0.0,,,0.0,,,,,,,0.0,,,0.0,
COc1ccc(C(=S)N2CCN(c3cccc(Cl)c3)CC2)cc1,CID269707,,,,,,0.0,,,,,,,,,,,
Cc1ccc(N2CCN(C(=S)c3ccc(N(C)C)cc3)CC2)cc1,CID1540890,,,,,,,,,,,,,,,,0.0,
Cc1ccccc1N1CCN(C(=S)c2ccc(Cl)cc2)CC1,CID875194,,,,,,0.0,,,,,,,,,,,
CCCOc1ccc(C(=S)N2CCN(c3cccc(C)c3)CC2)cc1,CID1562009,,,,,,0.0,,,,,,,,,,,
Cc1ccccc1N1CCN(C(=S)c2ccccc2)CC1,CID259071,,,,,,0.0,,,,,,,,,,,
CN(C)c1ccc(C(=S)N2CCN(c3cccc(Cl)c3)CC2)cc1,CID1180952,,,,,,0.0,,,,,,,,,,,
CCN(CC)c1ccc(C(=S)N2CCN(c3ccccc3)CC2)cc1,CID1540897,0.0,0.0,,,,,,,,,,,,0.0,,,
CCCCNC(=O)CSc1nnc(Cc2ccccc2)n1CC,CID3152685,,,,,,,,,,,0.0,,,0.0,0.0,,
C=CCn1c(Cc2ccc(OC)cc2)nnc1SCC(N)=O,CID2231605,,,,,,,,,0.0,0.0,0.0,0.0,,,,,
COCCn1c(Cc2ccccc2)nnc1SCC(=O)N(C)C,CID651434,,,0.0,,,,,,0.0,,,,,,,,0.0
C=CCn1c(Cc2ccc(OC(C)C)c(Cl)c2)nnc1SCC(N)=O,CID1971233,,,0.0,0.0,0.0,,,,,,,0.0,0.0,,,,0.0
C=CCn1c(Cc2ccc(OCC)cc2)nnc1SCC(N)=O,CID2214862,,,,0.0,,,,,0.0,,0.0,,0.0,,,0.0,0.0
COCCn1c(Cc2ccccc2)nnc1SCC(=O)NC(C)(C)C,CID652074,,0.0,,,,,0.0,0.0,0.0,,0.0,,,,,,
CCn1c(Cc2ccccc2)nnc1SCC(=O)OC(C)C,CID647345,,,,,,,0.0,,,,0.0,,0.0,0.0,,0.0,0.0
CCOc1ccc(Cc2nnc(SCC(N)=O)n2C)cc1,CID972878,,,,,,,,,0.0,,,0.0,,,,,
CCn1c(Cc2ccccc2)nnc1SCC(=O)NC(C)(C)C,CID648175,0.0,,,,,,0.0,,,,,,,,,,
COCCn1c(Cc2ccccc2)nnc1SCC(=O)NC(C)C,CID644686,,0.0,0.0,,,0.0,,,0.0,,0.0,,,,,0.0,
C/C(N)=C(/C#N)C(=O)CSc1nnc(Cc2ccccc2F)n1N,CID5742564,,,,,,,,,,1.0,,,,,,,
CCn1c(Cc2ccccc2)nnc1SCC(=O)O,CID762206,,,0.0,,,,0.0,,,,0.0,,,,0.0,0.0,0.0
CC(C)OC(=O)CSc1nnc(Cc2ccccc2)n1C,CID652871,,,,,,,0.0,0.0,,,0.0,0.0,0.0,,,,0.0
CC(C)OC(=O)CSc1nnc(-c2ccncc2)n1N,CID662322,,0.0,,,,,,,,0.0,,0.0,0.0,,,,
CCN(CC)C(=O)CSc1nnc(-c2ccncc2)n1N,CID1179062,,,,,,,,,,0.0,,,,,,,
CC(=O)CSc1nnc(-c2ccncc2)n1C,CID1089132,,,,,,,,,,,,,,,0.0,,
CCCNC(=O)NC(=O)CSc1nnc(-c2ccncc2)n1CC,CID2618685,,0.0,,,0.0,,,,,0.0,0.0,,,,0.0,,
CCn1c(SCC(=O)NC(C)(C)C)nnc1-c1ccncc1,CID1154989,,,,,,,,,,,,,,,0.0,,
CCCCn1c(SCC(=O)N(C)C)nnc1-c1ccncc1,CID3181195,,,,,,,,,,,,,,0.0,,,
CCC(CO)n1cnnc1-c1ccncc1,CID3235743,,,,,,,,0.0,,,0.0,0.0,0.0,,,,0.0
Cn1c(SCC(=O)C(C)(C)C)nnc1-c1ccncc1,CID935950,,,,,,,,,,0.0,0.0,,,,,,
CCn1c(SCC(=O)OC)nnc1-c1ccncc1,CID3149078,,,,,,,,,,0.0,,,,,,,
COC(=O)CSc1nnc(-c2ccncc2)n1N,CID662805,,0.0,0.0,,,,,,,,,0.0,,,,,
CCn1c(SCCC#N)nnc1-c1ccncc1,CID2218150,,0.0,,0.0,,,,,,0.0,0.0,,0.0,,,0.0,
C=CCn1c(SCCC#N)nnc1-c1ccncc1,CID652040,,,,,0.0,,,,,,,,,,,,
Cn1c(SCCC(=O)O)nnc1-c1ccncc1,CID1089133,,,,,,,,,0.0,,,,,,,,
Cc1cc(C(=O)N(C)C)sc1-c1ccccc1,CID821953,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1cc(-c2ccccc2)sc1N,CID638860,,,,0.0,,,0.0,,,,,,,,,,
CCOC(=O)c1cc(-c2ccc(N)cc2)sc1N,CID660523,,,,0.0,0.0,,,0.0,,,0.0,,,,,,0.0
CNC(=O)c1ccc(-c2ccc(OC)cc2)s1,CID1483382,,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1sc(-c2ccc(OC)cc2)cc1N,CID825579,,,,,0.0,,,,,,,,,0.0,,,
COc1ccc(-c2sccc2C(C)C(=O)O)cc1,CID650172,,,,,,0.0,,,,0.0,,,0.0,0.0,,0.0,
CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CC(C)C,CID805003,,,,,,0.0,,,,,,,,,,,
CC(=O)Nc1ccc(-c2ccccc2)s1,CID26880,,0.0,0.0,,0.0,,,,,0.0,,,0.0,,,,
CCOC(=O)c1sc(-c2ccccc2)cc1N,CID838333,,,,0.0,0.0,,,,,,,,,,,,
CNC(=O)c1cc(C)c(-c2ccccc2)s1,CID822001,,0.0,,,0.0,,0.0,0.0,,0.0,,,0.0,,,,
O=C(Cc1ccsc1-c1ccccc1)NO,CID3786,,,,0.0,0.0,,,,,,,,,,,,
CCOC(=O)c1sc(-c2ccc(Br)cc2)cc1N,CID2363668,,,,,,,,,0.0,,,,,0.0,,,
CCOC(=O)c1sc(-c2ccc(OC)cc2)cc1NC(C)=O,CID793387,,,,,,,,,,,,,,0.0,,,
CCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2,CID647880,,,0.0,,,,0.0,0.0,,0.0,,,,,0.0,,
COC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2,CID1071278,,,,,,,,0.0,,,,0.0,0.0,,,0.0,
CCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2,CID2209472,,,,,,,,,,0.0,,,0.0,,0.0,0.0,
CSc1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2,CID971959,,,0.0,,0.0,,0.0,,0.0,0.0,,0.0,0.0,0.0,,,
Cc1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1,CID700859,,,,,,,,,0.0,,,0.0,,,0.0,,
COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1,CID1041318,,,,0.0,0.0,,0.0,,0.0,0.0,,0.0,0.0,,,0.0,
CCN(CC)CCNC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1,CID2473942,,,,,,,,,,,,,,,0.0,,
O=C(O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1,CID2135886,,,0.0,,0.0,,,0.0,0.0,,,,0.0,,,,
COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1,CID2955394,,,,,,,,,,0.0,,,,,,,
NC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2,CID2269417,,,,,,,,,0.0,0.0,,,,0.0,0.0,,
O=C(O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2,CID2380119,,,,,,,,,,,,,,,0.0,,
CCCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2,CID1796009,,,,,,,,,0.0,,,,,,,,
O=C(O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2,CID1324870,,,,,,,,,,,,,,,,0.0,
CCn1c(COc2ccccc2C(N)=O)nc2ccccc21,CID974491,,0.0,,,,,,,,,,0.0,,,,,
CCn1c(COc2cccc(C)c2)nc2ccccc21,CID974485,,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1ccc2c(c1)nc(COc1ccccc1C#N)n2CC,CID2998693,,0.0,0.0,0.0,0.0,,0.0,0.0,0.0,,,,0.0,,,0.0,
COc1ccccc1OCc1nc2ccccc2[nH]1,CID752039,0.0,,,,0.0,,,0.0,,,,0.0,,,,,
COCCn1c(COc2ccc(OC)cc2)nc2ccccc21,CID2946898,0.0,,,0.0,0.0,,0.0,0.0,,,0.0,,,,,,
COc1cccc(OCc2nc3ccccc3[nH]2)c1,CID1085450,,,,,0.0,0.0,,0.0,,0.0,,,,,,0.0,
CCn1c(COc2ccc(C)cc2)nc2ccccc21,CID800809,,,,,,,,,,,,,,,0.0,,
COCn1c(COc2ccccc2)nc2ccccc21,CID777454,0.0,,,,0.0,,,0.0,0.0,,,,,0.0,,0.0,
CCOC(=O)c1ccc2c(c1)nc(COc1ccc(OC)cc1)n2CC,CID3397231,,,,,,0.0,,,,,,,,,,,
COCCn1c(COc2ccc(C)cc2)nc2ccccc21,CID3238504,0.0,,,,0.0,0.0,,,,,,,0.0,,,,
CCOCCn1c(COc2ccccc2)nc2ccccc21,CID3326466,0.0,,,,0.0,,,,,,0.0,,,,,,0.0
COc1ccc(OCc2nc3ccccc3[nH]2)cc1,CID394278,,,,,,,,,,,,0.0,,,,,
c1ccc(OCc2nc3ccccc3[nH]2)cc1,CID210074,,,,0.0,,,,0.0,,0.0,,,,,,0.0,
COc1ccc(OC)c(-c2cc(C(=O)Nc3c(C)nn(Cc4ccccc4Cl)c3C)no2)c1,CID3244893,0.0,,,,,0.0,,,,,,,,,,,
COc1ccc(-c2cc(C(=O)Nc3c(C)nn(Cc4ccc(Cl)cc4)c3C)no2)cc1,CID3235585,,,,,,,,,,,,,,,,,0.0
COc1cccc(-c2cc(C(=O)Nc3c(C)nn(Cc4ccccc4C)c3C)no2)c1,CID3240170,0.0,,0.0,,,0.0,,,,0.0,0.0,0.0,0.0,,,,0.0
COc1ccc(OC)c(-c2cc(C(=O)Nc3c(C)nn(Cc4ccc(Cl)cc4)c3C)no2)c1,CID3236433,0.0,,,,,,,,,,,,,,,,
COc1cccc(-c2cc(C(=O)Nc3cnn(Cc4ccccc4C)c3)no2)c1,CID3243257,0.0,,0.0,,,0.0,0.0,0.0,,,,,,,,,0.0
COc1ccc(OC)c(-c2cc(C(=O)Nc3c(C)nn(Cc4ccccc4C)c3C)no2)c1,CID3237838,0.0,,0.0,,,,0.0,,0.0,,0.0,0.0,,,,,0.0
COc1cccc(-c2cc(C(=O)Nc3cnn(Cc4ccc(F)cc4)c3)no2)c1,CID3238250,0.0,,,,,,,,,,,,0.0,,,,
COc1cccc(-c2cc(C(=O)Nc3c(C)nn(Cc4ccccc4)c3C)no2)c1,CID3238878,0.0,0.0,,0.0,,,,0.0,,0.0,0.0,,,,,,0.0
COc1ccc(-c2cc(C(=O)Nc3c(C)nn(Cc4ccccc4Cl)c3C)no2)cc1OC,CID3240435,0.0,0.0,0.0,,,,,,,,,,,,,,
COc1ccc(OC)c(-c2cc(C(=O)Nc3c(C)nn(Cc4ccccc4)c3C)no2)c1,CID3236902,0.0,,0.0,,,,0.0,,,0.0,0.0,0.0,1.0,,,,0.0
COc1ccc(-c2cc(C(=O)Nc3cnn(Cc4ccccc4C)c3)no2)cc1OC,CID3239116,0.0,,,,,,,,,,,,,,,,0.0
COc1ccc(-c2cc(C(=O)Nc3c(C)nn(Cc4ccccc4Cl)c3C)no2)cc1,CID3236272,,,,,0.0,,,,,,,,,,,,0.0
Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)c1cc(-c2ccc(F)cc2)on1,CID3237644,0.0,,0.0,,,,,,,,,,0.0,,,,
CC(=O)Nc1ccc(C(=O)CSc2nc3ccc(C)cc3[nH]2)cc1,CID2507219,,,,,,,,,,,,,,0.0,,,
CC(C)NC(=O)Cn1c(SCC(=O)c2ccc(F)cc2)nc2ccccc21,CID3224826,,,,,,,,,,0.0,,,,,,,
CCCCn1c(SC(C)C(=O)c2ccc(OC)cc2)nc2cc(S(N)(=O)=O)ccc21,CID4655733,,,,,,,,,,,0.0,,,,,,
CCCCNS(=O)(=O)c1ccc2nc(SCC(=O)c3ccc(C#N)cc3)[nH]c2c1,CID2402580,0.0,,,,0.0,0.0,,,0.0,0.0,,,,,,,
CCCCn1c(SCC(=O)c2cc(OC)ccc2OC)nc2cc(S(N)(=O)=O)ccc21,CID2999226,,,,,0.0,,0.0,,,,,,0.0,,,,
CCCCn1c(SCC(=O)c2ccc(OC)c(OC)c2)nc2cc(S(N)(=O)=O)ccc21,CID4467448,,,,,,,,,0.0,,,,,,,,
CCC(=O)Nc1ccc(C(=O)CSc2nc3ccccc3[nH]2)cc1,CID2093921,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(OC)c(C(=O)CSc2nc3ccccc3n2CC(=O)NC(C)(C)C)c1,CID3224633,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(=O)CSc2nc3ccccc3n2CC(=O)NC(C)(C)C)cc1,CID3224631,,,,,,,,,,,,,,0.0,,,
COc1cccc(C(=O)CSc2nc3ccccc3n2CC(=O)N(C(C)C)C(C)C)c1,CID3224807,,,,,,,,,,,0.0,,,,,,
CCCCNS(=O)(=O)c1ccc2nc(SCC(=O)c3ccccc3OC)[nH]c2c1,CID2414478,,,,,,,,,,0.0,0.0,,,,,,
O=C(CSc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccc(Cl)cc1,CID722472,,,,,,,,,,,,,,,0.0,,
CCCCn1c(SCC(=O)c2ccc(OC)cc2OC)nc2cc(S(N)(=O)=O)ccc21,CID2997788,,,,,0.0,,,,,,0.0,,,,,0.0,
CCOC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1ccc(OC(C)=O)c(OC)c1,CID661837,,0.0,,,0.0,,,,,,,,,,,,
CCC1SC2=NC(C)=C(C(=O)OC)C(c3ccc(C(=O)OC)cc3)N2C1=O,CID662041,,,,,,,0.0,,,,,,,,,,
CCOc1cc(C2C(C(=O)OC)=C(C)N=C3SC(C)C(=O)N32)ccc1OC(C)=O,CID3237682,,,,,0.0,,,0.0,,0.0,,0.0,,,,,
CCOC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1ccc(OC(C)=O)c(OCC)c1,CID3236161,,,,,0.0,,0.0,,,0.0,,,0.0,,,,
CCOC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1cccc(F)c1,CID661920,,,,,,,0.0,0.0,,,,,,,,,
COC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1ccc(C(=O)OC)cc1,CID662064,,,0.0,,,,,0.0,,,,,,,,,
CCC1SC2=NC(C)=C(C(=O)OCCOC)C(c3ccc(C(=O)OC)cc3)N2C1=O,CID661855,,,,,0.0,,0.0,,,0.0,,0.0,,,,0.0,
CC1=C(C(=O)OC(C)C)C(c2cccc(F)c2)N2C(=O)C(C)SC2=N1,CID3244762,,,,,,,,,,,,,,,,,0.0
CCOC(=O)C1=C(C)N=C2SC(CC)C(=O)N2C1c1ccc(OC(C)=O)c(OCC)c1,CID3242335,,,,,0.0,,,0.0,,,,,,,,,
CCC1SC2=NC(C)=C(C(=O)OC)C(c3ccc(C)cc3)N2C1=O,CID3243544,0.0,,0.0,0.0,,,,,,,,,,,,,
CCOC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1ccc(C(=O)OC)cc1,CID662015,,,,,,,,,,,,,,,0.0,,
CCOC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1ccc(OCC)c(OCC)c1,CID3236779,,,,,0.0,,,,,,,0.0,,,,,
CCOC(=O)C1=C(C)N=C2SC(CC)C(=O)N2C1c1cccc(F)c1,CID3244068,,,0.0,,,,,0.0,,,,,,,,,
CCc1ccc(CNc2ccc3c(c2)ncn3C)cc1,CID3240213,,,,,,,,,,,,,,0.0,,0.0,
CCCn1cnc2cc(NCc3cccc(OC)c3)ccc21,CID1250533,0.0,,,,,,0.0,,,,,0.0,0.0,,0.0,0.0,
COc1ccc(CNc2ccc3c(c2)nc(C)n3C)cc1,CID651468,0.0,,,,,,,0.0,,,,,0.0,,,0.0,
CCCn1cnc2cc(NCc3cccc(OC)c3O)ccc21,CID666809,,,,,,0.0,,,,0.0,,,,,,0.0,
CCn1cnc2cc(NCc3ccc(OC)cc3)ccc21,CID866272,,,,,,0.0,,,,,,0.0,,,0.0,,
CN(C)c1ccc(CNc2ccc3c(c2)ncn3C)cc1,CID866273,,,,,,,,,,,0.0,,,,,,
CCn1cnc2cc(NCc3cccc(OC)c3O)ccc21,CID866279,,,,0.0,,,,0.0,,,,0.0,,,,0.0,0.0
CCCCn1cnc2cc(NCc3cccc(OC)c3O)ccc21,CID667049,,,,0.0,,0.0,,0.0,,,,0.0,,,,0.0,
COc1cccc(CNc2ccc3c(c2)ncn3C(C)C)c1OC,CID2030424,0.0,,,,,0.0,,,,,,0.0,,,,0.0,
CCn1cnc2cc(NCc3ccc(C)cc3)ccc21,CID866269,,,,,,,,,0.0,,,,,,0.0,0.0,
Cc1ccc(CNc2ccc3c(c2)ncn3C)cc1,CID866268,,,0.0,,,,,0.0,,0.0,,,,,,0.0,
CCOc1ccc(CNc2ccc3c(c2)nc(C)n3C)cc1,CID764435,,,,0.0,,,,,,,,0.0,,,0.0,,
CCOc1ccc(CNc2ccc3c(c2)ncn3C)cc1,CID763700,0.0,,,,,,,,,,,0.0,,,0.0,0.0,0.0
Cn1c(SCc2ccc(C#N)cc2)nnc1-c1ccccc1,CID665032,0.0,0.0,,,,0.0,0.0,,,,,,0.0,,,0.0,0.0
COc1ccc(-c2nnc(SCc3ccccc3)n2N)cc1,CID662589,0.0,0.0,,0.0,,,,0.0,,,0.0,,,,,0.0,
C=CCn1c(SCc2ccc(C#N)cc2)nnc1-c1ccc(C)cc1,CID3705659,,,,,,0.0,,,,,0.0,,,,,,
COc1ccc(-c2nnc(SCc3cccc(C)c3)n2N)cc1,CID734284,,,,,,0.0,,,,,,,,,,,
C=CCn1c(SCc2ccc(C#N)cc2)nnc1-c1cccc(OC)c1,CID665217,0.0,,,0.0,0.0,,0.0,,,0.0,0.0,,0.0,,,,
CC(=O)Nc1ccc(-c2nnc(SCc3c(C)cc(C)cc3C)n2C)cc1,CID1314971,,,,,,0.0,,,,,0.0,,,,,,
CCn1c(SCc2cccc(C(=O)O)c2)nnc1-c1ccccc1,CID665272,0.0,0.0,0.0,,0.0,0.0,0.0,,,0.0,,,0.0,,,0.0,0.0
CC(=O)Nc1ccc(-c2nnc(SCc3ccccc3C#N)n2C)cc1,CID2192319,,,,,,,,,,,0.0,,,,,,
Cn1c(SCc2ccc(C#N)cc2)nnc1-c1cccc(Cl)c1,CID666839,0.0,0.0,0.0,0.0,0.0,,,,,,,,0.0,,,,
CCn1c(SCc2ccc(C#N)cc2)nnc1-c1cccc(Cl)c1,CID1264460,,0.0,,0.0,0.0,,0.0,,,,,,,,0.0,,
CC(=O)Nc1cccc(-c2nnc(SCc3ccccc3C#N)n2C)c1,CID1316627,0.0,0.0,0.0,,0.0,,0.0,,,,,,0.0,,,,
C=CCn1c(SCc2ccc(C#N)cc2)nnc1-c1cccc(Cl)c1,CID665304,0.0,0.0,,,0.0,,,,,,0.0,,,,,,0.0
CCn1c(SCc2ccc(Cl)cc2)nnc1-c1ccccc1,CID804932,,,,,,,,,,0.0,0.0,,,,,,
Cc1ccc(C)c(OCC(O)CN2CCC(C)CC2)c1C,CID2998658,,,,,,0.0,,,,,,,,,,,
COc1ccc(OCCCN2CCCC(C)C2)cc1,CID2923449,,,,,,,,,,0.0,0.0,,,,,,
CCOC(=O)C1CCCN(CC(O)COc2ccc(OC)cc2C(C)(C)C)C1,CID2999967,,,,,,,0.0,,,0.0,0.0,,,,,,
CC1CCN(CC(O)COc2cccc(F)c2)CC1,CID5308143,,0.0,,,,,,,,,,,,,,,
CC1CCN(CC(O)COc2ccc(F)cc2)CC1,CID4565713,,,,0.0,,0.0,,0.0,,,,,,,,,
CC(=O)c1ccc(OCC(O)CN2C(C)(C)CC(O)CC2(C)C)cc1,CID3615460,0.0,,0.0,,0.0,,,0.0,,,,,,,,,
C=CCc1ccc(OCC(O)CN2CCCCC2)c(OC)c1,CID659467,,,,0.0,,,,,,0.0,0.0,,0.0,,,,0.0
Cc1cccc(OCC(O)CN2C(C)(C)CC(O)CC2(C)C)c1C,CID2955949,,0.0,,0.0,,,,0.0,,,,,,,,,0.0
COC(=O)c1ccc(OCC(O)CN2CCC(C)CC2)cc1,CID5125410,0.0,,,,,0.0,,,,,0.0,,,,,,
Cc1cccc(OCC(O)CN2C(C)(C)CC(O)CC2(C)C)c1,CID2948511,,,,,,,0.0,,,0.0,,,,,,0.0,0.0
Cc1ccccc1OCCCN1CCC(C)CC1,CID2884005,,,,,,0.0,,,,,,,,,,,
COc1cccc(OCCCN2CCCCC2)c1,CID2057673,,,,0.0,,0.0,,0.0,,0.0,,,,,,0.0,
CC1CCCC(C)N1CC(O)COc1ccc(Cl)cc1,CID2853529,0.0,,0.0,,,,,,,,,,,,,,
CN(C1=NS(=O)(=O)c2cc([N+](=O)[O-])ccc21)c1ccccc1,CID569720,,,,,,0.0,,,,,,,,,,,
CCCCOc1ccccc1NC1=NS(=O)(=O)c2ccccc21,CID2265994,,,,,,0.0,,,,,,,,,,,
C=C(C)c1ccccc1NC1=NS(=O)(=O)c2ccccc21,CID805357,,,,,,0.0,,,,,,,,,,,
COc1ccc(N(C)C2=NS(=O)(=O)c3ccccc32)cc1,CID785727,,,,,,,,,,,,,,0.0,,,
O=S1(=O)N=C(Nc2cccc(Cl)c2)c2ccccc21,CID733976,,,,,,0.0,,,,,,,,,,,
CCN(CC)S(=O)(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1,CID1096315,,,,,,,,,,0.0,0.0,,,0.0,,,
Cc1ccc(C)c(NC2=NS(=O)(=O)c3ccccc32)c1,CID894505,0.0,,,,0.0,,0.0,0.0,,,,0.0,0.0,0.0,,,0.0
Cc1ccc(NC2=NS(=O)(=O)c3cc([N+](=O)[O-])ccc32)cc1,CID5347333,,,,,,0.0,,,,,,,,,,,
O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=C2Nc1cccc(Cl)c1,CID2883254,,,,,,0.0,,,,,,,,,,,
Cc1cc(O)c(C(C)C)cc1NC1=NS(=O)(=O)c2ccccc21,CID829127,0.0,,,0.0,0.0,,0.0,0.0,,,,,0.0,,,,0.0
Cc1ccccc1NC1=NS(=O)(=O)c2ccccc21,CID730903,,,,,,,,,,,0.0,0.0,,,,,
COC(=O)c1ccc(C(=O)OC)c(NC2=NS(=O)(=O)c3ccccc32)c1,CID1092037,,,0.0,,,,,,,0.0,,,,,0.0,0.0,
Cc1cc(C)c(NC2=NS(=O)(=O)c3ccccc32)c(C)c1,CID733262,,,,,,,,,,,,0.0,,,,,
O=C(NCc1ccccc1C(F)(F)F)C1CC(c2ccccc2[N+](=O)[O-])=NO1,CID11958523,,,,,,,,,,,,0.0,,0.0,,,
COc1ccccc1CNC(=O)C1CC(c2ccccc2[N+](=O)[O-])=NO1,CID11958565,,,,,,,,,,,,,,,0.0,,
O=C(NCc1cccc(C(F)(F)F)c1)C1CC(c2ccccc2[N+](=O)[O-])=NO1,CID11958563,,,,,,,,,,,,0.0,,,,,
COc1ccccc1CNC(=O)C1CC(c2ccc([N+](=O)[O-])cc2)=NO1,CID11958466,,,,,,0.0,,,,,,,,,,,
COc1cccc(C2=NOC(C(=O)NCc3ccccc3)C2)c1,CID3245926,0.0,,,,,,,,,,0.0,,,,,,
COc1cccc(C2=NOC(C(=O)NCc3ccc(F)cc3)C2)c1,CID3237052,,,,,,0.0,,,,,,,0.0,,,,
COc1ccc(C2=NOC(C(=O)NCc3ccc(F)cc3)C2)cc1,CID3237488,,0.0,,0.0,,,0.0,0.0,,,0.0,0.0,,,,,
COc1ccc(CNC(=O)C2CC(c3ccc(F)cc3)=NO2)cc1,CID3237831,,,,,,,0.0,0.0,,,,0.0,,,,0.0,
COc1ccc(CNC(=O)C2CC(c3cccc(OC)c3)=NO2)cc1,CID3236325,0.0,,,,,,,0.0,,,0.0,,,,,,0.0
COc1ccc(C2=NOC(C(=O)NCc3ccccc3)C2)cc1,CID3238182,0.0,0.0,0.0,0.0,,,,,0.0,,,,0.0,,0.0,,0.0
COc1cc(C2=NOC(C(=O)NCc3ccc(F)cc3)C2)cc(OC)c1OC,CID3237190,,,0.0,,,,,,,,,,,,,0.0,
COc1ccc(CNC(=O)C2CC(c3ccc(OC)cc3)=NO2)cc1,CID3236601,0.0,,,,,,0.0,,0.0,0.0,,,,,,,0.0
COc1ccc(C2=NOC(C(=O)NCc3ccc(F)cc3)C2)cc1OC,CID3244178,,,0.0,,,,,,,,,,,,,,
COc1ccc(C(=O)Nn2cnc3ccccc3c2=O)c(OC)c1,CID4374184,,,,,,0.0,,,,,,,,,,,
Cc1nc2ccccc2c(=O)n1NC(=O)c1ccc(F)cc1Cl,CID3240086,,0.0,0.0,,,,,,,,,,,,,0.0,
COc1ccc(Cl)cc1C(=O)Nn1c(C)nc2ccccc2c1=O,CID3244358,0.0,0.0,,,,0.0,,,,,,,,,,0.0,0.0
CCCOc1ccc(C(=O)Nn2c(C)nc3ccccc3c2=O)cc1,CID3237593,,,,,,,,,0.0,,0.0,0.0,,,,0.0,0.0
COc1ccc(Cl)cc1C(=O)Nn1cnc2ccccc2c1=O,CID3243397,0.0,0.0,,,,0.0,,,,,,,,,,,0.0
COc1cc2nc(CC(C)C)n(NC(=O)c3ccccc3)c(=O)c2cc1OC,CID649633,,,,,0.0,,,,0.0,,,,,,,,
COc1ccc(Br)c(C(=O)Nn2c(C)nc3ccccc3c2=O)c1,CID3244347,0.0,,,,,,,,,,,,,,,,0.0
Cc1nc2ccccc2c(=O)n1NC(=O)c1ccccc1Cl,CID3243716,0.0,0.0,,,,,,,,,,,,,,0.0,0.0
COc1ccccc1C(=O)Nn1cnc2ccccc2c1=O,CID3240950,,,,0.0,,0.0,,0.0,0.0,,,0.0,,,,,
O=C(Nn1cnc2ccccc2c1=O)c1ccccc1Cl,CID3239358,0.0,0.0,0.0,,,0.0,,,,,,,,,,0.0,0.0
O=C(Nn1cnc2ccccc2c1=O)c1ccc(F)cc1Cl,CID3242645,,0.0,,,,,,,,,,,,,,,
CCOC(=O)CSc1nc2ccccc2c(=O)n1NC(=O)c1ccccc1,CID3235919,,,,,,,1.0,0.0,,,,,0.0,,,0.0,
COc1cc(OC)cc(C(=O)Nn2c(C)nc3ccccc3c2=O)c1,CID743176,,,0.0,,0.0,,,,0.0,,0.0,,,,,,
COc1ccc(CSc2nnc(CNS(C)(=O)=O)o2)cc1,CID1438556,,,,,,,,,,0.0,0.0,,,0.0,,,
CSCCC(NC(=O)OC(C)(C)C)c1nnc(SCc2ccccc2)o1,CID665094,,,0.0,,,,,,0.0,0.0,,,,,,,
CS(=O)(=O)NCc1nnc(SCc2c(F)cccc2Cl)o1,CID1438565,,,,,,,,,,,,,,,0.0,,
CSCCC(NC(=O)OC(C)(C)C)c1nnc(SCc2ccc(F)cc2)o1,CID665153,,,0.0,,0.0,0.0,,,,0.0,,,,,,,
CC(C)(C)OC(=O)NCCc1nnc(SCc2ccccc2Cl)o1,CID662916,0.0,0.0,0.0,,0.0,,0.0,,,,,0.0,,,0.0,,0.0
CC(C)(C)OC(=O)NCCc1nnc(SCc2ccc(Cl)cc2Cl)o1,CID1988912,,,,,,,,,,,0.0,,,,,,
CC(C)CC(NC(=O)OC(C)(C)C)c1nnc(SCc2cccc(F)c2)o1,CID662763,0.0,,,0.0,,,,,,,,,,,,,
CC(C)(C)OC(=O)NCCc1nnc(SCc2ccc(Cl)cc2)o1,CID1973366,,,,,,,,,,0.0,0.0,,,,,,
Cc1nnc(SCc2ccc(CC(=O)O)cc2)o1,CID652988,,,,,,,,,0.0,,,,,0.0,,,
CSCCC(NC(=O)OC(C)(C)C)c1nnc(SCc2cccc(F)c2)o1,CID665182,,0.0,0.0,,0.0,,0.0,,,0.0,0.0,,,,0.0,,
CS(=O)(=O)NCc1nnc(SCc2ccccc2C(F)(F)F)o1,CID650690,0.0,,,,0.0,,,,,,,,,,,,0.0
CC(C)CC(NC(=O)OC(C)(C)C)c1nnc(SCc2ccccc2)o1,CID7472244,,,,,,,,,,,,,,,0.0,,
CC(C)C(NC(=O)OC(C)(C)C)c1nnc(SCc2cccc(F)c2)o1,CID662313,0.0,0.0,,0.0,,,,,,,,,0.0,,,,
COCCCNc1ncnc2c1[nH]c1ccccc12,CID2010510,,,,,,,,,,,,0.0,,,,,
CCCCOc1ncnc2c1[nH]c1ccc(OC)cc12,CID5122830,,,,,,,,,,,0.0,,,,,,
COc1ccc2[nH]c3c(NCCN(C(C)C)C(C)C)ncnc3c2c1,CID664857,,,0.0,,,,,0.0,0.0,,,,,,,,0.0
COc1ccc2c(c1)c1ncnc(N(C)C)c1n2C,CID665544,,,,,,,0.0,0.0,,,,,,,,,0.0
CCCCOc1ncnc2c1[nH]c1ccc(F)cc12,CID663916,,0.0,,,,,,0.0,,,,,,,,,
CCOCCCNc1ncnc2c1[nH]c1ccccc12,CID664612,,,,,,,,0.0,0.0,,0.0,0.0,,,,,0.0
CNc1ncnc2c3cc(OC)ccc3n(C)c12,CID665818,,0.0,,,,,,,,,,,0.0,,,,
C=CCNc1ncnc2c1[nH]c1ccc(C)cc12,CID664196,,,,,,,0.0,,,,,,0.0,,,0.0,
CC(C)OCCCNc1ncnc2c1[nH]c1ccc(F)cc12,CID664895,,0.0,,,,,,,,,,,,,,,
CCCCOc1ncnc2c1[nH]c1ccccc12,CID664633,,,,,,,,,,,,,,,,0.0,0.0
C=CCNc1ncnc2c1[nH]c1ccccc12,CID664373,,0.0,0.0,,,0.0,,,,,0.0,0.0,0.0,,,,
CC(C)OCCCNc1ncnc2c1[nH]c1ccccc12,CID663688,,,0.0,0.0,,,0.0,,,,,,0.0,0.0,,0.0,
CCN(CC)CCNc1ncnc2c1[nH]c1ccc(OC)cc12,CID659306,,,,,,,,,,0.0,0.0,,,,,,
O=C1c2ccccc2NC(c2cccc(O)c2)N1c1ccc(Cl)cc1,CID3473932,,,,,,0.0,,,,,,,,,,,
CCOc1cc(C2Nc3ccccc3C(=O)N2c2ccccc2)ccc1O,CID653058,,,,0.0,,0.0,,0.0,,0.0,,0.0,,,0.0,,0.0
CCOc1cc(C2Nc3ccccc3C(=O)N2c2ccc(C)cc2)ccc1O,CID2888397,,,,,,0.0,,,,,,,,,,,
COc1cc(C2Nc3ccccc3C(=O)N2c2ccccc2OC)ccc1O,CID644412,0.0,0.0,0.0,0.0,,,,,0.0,,,,,,,,0.0
O=C1c2ccccc2NC(c2ccccc2)N1c1ccc(O)cc1,CID3149414,,0.0,,,,,,,,0.0,,0.0,,,,,0.0
O=C1c2ccccc2NC(c2ccc(O)cc2)N1c1ccc(Cl)cc1,CID2887994,,,,,,0.0,,,,,,,,,,,
CCOc1cc(C2Nc3ccccc3C(=O)N2c2ccccc2OC)ccc1O,CID658545,0.0,,,,,,,0.0,0.0,,,0.0,,,,,0.0
O=C1c2ccccc2NC(c2ccccc2F)N1c1ccc(Cl)cc1,CID2887723,,,,,,0.0,,,,,,,,,,,
CCOC(=O)COc1c(OC)cc(Cl)cc1C1Nc2ccccc2C(=O)N1c1cccc(C)c1,CID4318591,,,,,,0.0,,,,,,,,,,,
COc1ccc(C2Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)cc1OC,CID2888034,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C2Nc3ccccc3C(=O)N2c2ccccc2)cc1,CID2888036,,,,,,0.0,,,,,,,,,,,
COc1cc(C2Nc3ccccc3C(=O)N2c2ccc(F)cc2)cc(OC)c1OC,CID3141730,,,,,,0.0,,,,,,,,,,,
COCc1n[nH]c(=S)n1-c1ccccc1,CID801567,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-n2cnn(C)c2=S)cc1,CID1488921,,,,,,,,,,,,,,0.0,,,
Cn1ncn(-c2ccccc2)c1=S,CID1487983,,,,,,,,,,,0.0,,,,,,
Cn1ncn(-c2ccc(Cl)cc2)c1=S,CID1487986,,,,,,,,,,,0.0,,,,,,
Cc1cccc(-n2c(C)n[nH]c2=S)c1C,CID829349,,,,,,,,,,,,0.0,,,,,
CC(C)OCC(O)CCc1n[nH]c(=S)n1-c1ccccc1,CID2857718,,,,,,,,,,,,,,0.0,,,
OCn1ncn(-c2ccccc2)c1=S,CID200643,,0.0,0.0,0.0,,,,,,,,,,,,,
N#CCCn1ncn(-c2ccccc2)c1=S,CID658038,,,,,,,,,,,,,0.0,,,,
COc1cccc(-n2c(CNC(=O)OC(C)(C)C)n[nH]c2=S)c1,CID1448423,,,,0.0,,0.0,,,0.0,,0.0,,,,,0.0,
Cc1ccc(-n2c(C)n[nH]c2=S)cc1C,CID951872,,,,,,,,,,,,,,,0.0,,
COC(Cc1n[nH]c(=S)n1-c1ccccc1)OC,CID2764610,,,,,,,,,,,,0.0,,,,,
COC(Cc1n[nH]c(=S)n1-c1ccc(Cl)cc1)OC,CID1487897,,,,,,0.0,,,,,,,,,0.0,,
COC(=O)c1cc(NCc2ccccc2F)ccc1N1CCOCC1,CID667122,,,,0.0,,0.0,,,,,,,0.0,,,,
O=C(O)c1cc(NCc2ccccc2C(F)(F)F)ccc1N1CCOCC1,CID666128,,,,,0.0,,,,,,,,,,,,
COc1cc(CNc2ccc(N3CCOCC3)cc2)cc(Br)c1OC,CID979607,,,,,,,,,,,,,,,0.0,,
O=C(O)c1cc(NCc2ccccc2)ccc1N1CCOCC1,CID1838547,,,,,,,,,0.0,,0.0,,,0.0,,,
O=C(O)c1cc(NCc2ccc(F)cc2)ccc1N1CCOCC1,CID1941989,,,,,,,,,,,,0.0,,,0.0,,
COC(=O)c1cc(NCc2c(F)cccc2Cl)ccc1N1CCOCC1,CID666232,,,,,,,0.0,,,,,,,,,0.0,
CCOc1ccccc1CNc1ccc(N2CCOCC2)c(C(=O)O)c1,CID665868,,,0.0,,,,,,0.0,,0.0,,0.0,0.0,,,
CC(C)c1ccc(CNc2ccc(N3CCOCC3)cc2)cc1,CID653518,0.0,,,0.0,,,,,,,,0.0,,,,,0.0
CCOc1ccc(CNc2ccc(N3CCOCC3)c(C(=O)O)c2)cc1,CID1859522,,,,,,,,,0.0,0.0,,,,,0.0,,
COc1ccccc1CNc1ccc(N2CCOCC2)c(C(=O)O)c1,CID667145,0.0,,0.0,,,,0.0,,0.0,,,,,0.0,,,
COc1cc(CNc2ccc(N3CCOCC3)c(C(=O)O)c2)ccc1OCC(N)=O,CID666526,,,,,,,,0.0,,,,,,,,,0.0
O=C(O)c1cc(NCc2c(F)cccc2Cl)ccc1N1CCOCC1,CID667241,,,,0.0,,,,,,,,,,,,0.0,0.0
COC(=O)c1ccc(NC(=S)Nc2ccccn2)cc1,CID726295,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1ccc(NC(=S)Nc2cc(C)cc(C)n2)cc1,CID970961,,,,,,,,,,,,,,0.0,,,
COc1ccc(NC(=S)Nc2cc(C)ccn2)c(OC)c1,CID978071,,,,,,,,,,,,,,,0.0,,
COC(=O)Cc1ccc(NC(=S)Nc2cccc(C)n2)cc1,CID1970670,,,,,,,,,,,,,,0.0,,,
COc1ccc(NC(=S)Nc2ncccc2C)c(OC)c1,CID2237714,,,,,,0.0,,,,,,,,,,,
COc1ccccc1NC(=S)Nc1ccccn1,CID706957,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccc(NC(=S)Nc2cccc(C)n2)cc1,CID1959712,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1ccc(NC(=S)Nc2ccccn2)cc1,CID769409,,,,,,,,,,,,0.0,,0.0,,,
S=C(Nc1ccccn1)Nc1ccccc1Cl,CID972361,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)nc(NC(=S)Nc2cccc(Cl)c2Cl)c1,CID970728,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)nc(NC(=S)Nc2ccc(F)cc2F)c1,CID970757,,,,,,,,,,,,,,,0.0,,
COc1ccc(NC(=S)Nc2cc(C)cc(C)n2)cc1OC,CID970818,,,,,,,,,,,,,,0.0,,,
CCn1c(=O)cc(OCC(=O)N(C)c2ccccc2F)c2ccccc21,CID5309465,,,,,,,,0.0,,,,,,,,,
Cc1ccc(C)c(N(C)C(=O)COc2cc(=O)n(C)c3ccccc23)c1,CID5308098,0.0,,,,,0.0,,0.0,,,,,,,,,
CCN(C(=O)COc1cc(=O)n(CC)c2ccccc12)c1cccc(Cl)c1,CID3236055,,,0.0,,,,,,,,,,,,,0.0,0.0
CCn1c(=O)cc(OCC(=O)Nc2ccccc2C#N)c2ccccc21,CID5309513,,,,,,,,0.0,,,,,,0.0,,,
CCN(CC)CCOC(=O)c1ccc(NC(=O)COc2cc(=O)n(CC)c3ccccc23)cc1,CID3243782,,,,,,,,0.0,0.0,,,,,,,,
CCN(C(=O)COc1cc(=O)n(CC)c2ccccc12)c1cc(Cl)ccc1OC,CID5309310,,,,,,,,,,,,,,0.0,,0.0,
Cc1cccc(N(C)C(=O)COc2cc(=O)n(C)c3ccccc23)c1,CID5307556,0.0,,,,,0.0,,,,,,,,,,,
CCN(C(=O)COc1cc(=O)n(C)c2ccccc12)c1cccc(Cl)c1,CID3239997,,0.0,0.0,0.0,,,,,,0.0,,,,,,0.0,0.0
CN(C(=O)COc1cc(=O)n(C)c2ccccc12)c1ccc(Cl)cc1,CID5308259,,0.0,,,,,0.0,,,,,,,,,0.0,
CN(C(=O)COc1cc(=O)n(C)c2ccccc12)c1cccc(Cl)c1,CID5308491,,0.0,,,,0.0,,,,,,0.0,,,,0.0,0.0
CN(C(=O)COc1cc(=O)n(C)c2ccccc12)c1ccc(Br)cc1,CID5307932,0.0,,,,,,0.0,,,,,,,,,,0.0
CCOc1ccc(N(CC)C(=O)COc2cc(=O)n(C)c3ccccc23)cc1,CID5308485,0.0,,,,,,0.0,,,,,,,,,,
COc1ccc(NC(=O)NCCCN2CCN(c3cc(C)ccc3C)CC2)cc1,CID5308005,,,,0.0,,,,,,,,,,,,,
CSc1ccc(NC(=O)NCCCN2CCN(c3ccccc3F)CC2)cc1,CID3242768,0.0,0.0,,0.0,,,,,,,0.0,,,,,0.0,
CSc1ccc(N2CCN(CCCNC(=O)Nc3ccccc3F)CC2)cc1,CID2966655,,,,,,,,,,,0.0,,,0.0,,,
COc1ccc(Cl)c(N2CCN(CCCNC(=O)Nc3ccc(C)cc3)CC2)c1,CID2967414,0.0,,,,,,,,,,,,,,,,
O=C(NCCCN1CCN(c2ccccc2)CC1)Nc1ccccc1C(F)(F)F,CID3245130,,,,,,,0.0,,,,,,,0.0,,,
COc1ccccc1N1CCN(CCCNC(=O)Nc2ccccc2)CC1,CID2968217,0.0,0.0,,,,,,0.0,0.0,,,,,,,,0.0
COc1ccc(N2CCN(CCCNC(=O)Nc3ccccc3)CC2)cc1,CID2947278,,,,,,,,,0.0,,,,,,,,
COc1ccc(N2CCN(CCCNC(=O)Nc3ccccc3C)CC2)cc1,CID3245793,,,0.0,,,,,0.0,,,,0.0,0.0,,,,
COc1ccccc1NC(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1,CID5309084,0.0,,,,,,,,,,0.0,,0.0,,,,
O=C(NCCCN1CCN(c2ccccc2F)CC1)Nc1ccc(F)cc1,CID3245916,0.0,,,,,,,,,,,,,0.0,,,
COc1cccc(NC(=O)NCCCN2CCN(c3ccc(F)cc3)CC2)c1,CID3237323,0.0,,0.0,,,0.0,,,,,0.0,,,,0.0,,
COc1ccccc1N1CCN(CCCNC(=O)Nc2ccccc2C)CC1,CID3243909,,0.0,,,,,,,,,,,,0.0,,,
CCOc1cccc(-n2nnnc2-c2ccc(OC)cc2)c1,CID665835,,0.0,,,,,0.0,,,,,,,,0.0,,
Cc1cccc(-c2nnnn2-c2cccc(C)c2)c1,CID1474273,,,,,,,,,,,,,,,0.0,,
Cc1ccccc1-n1nnnc1-c1ccccc1,CID2054464,,0.0,0.0,,,0.0,0.0,,,,,,0.0,,,,
Clc1ccc(-n2nnnc2-c2ccccc2)cc1,CID767410,0.0,0.0,0.0,,,,,,,,,,,,,,
Clc1ccc(-n2nnnc2-c2ccccc2)cc1Cl,CID773470,0.0,,0.0,,,,,,,,,,0.0,,,,
Cc1ccc(-c2nnnn2-c2ccc(C)cc2)cc1,CID767778,,,,,,,,,,,,,,,0.0,,
COc1ccc(-n2nnnc2-c2cccc(OC)c2)cc1,CID649149,,,0.0,,,,,,,,,,,,,,
Fc1ccc(-n2nnnc2-c2ccccc2Cl)cc1,CID847265,,,,,,,,,,,,,,,0.0,,
COc1ccc(-c2nnnn2-c2ccccc2OC)cc1,CID864333,,0.0,0.0,0.0,,,0.0,,,,,,,,0.0,,
Cc1cccc(C(C)C)c1-n1nnnc1-c1ccccc1,CID872287,,0.0,,0.0,,,0.0,,,0.0,,0.0,,,,,
Cc1ccc(-n2nnnc2-c2ccccc2)cc1,CID3638362,,,,,,,,,,,,,,,0.0,,
COc1ccc(-n2nnnc2-c2ccccc2)cc1,CID759777,,,,,,0.0,,,,,,,,,0.0,,
Cc1ccc(OCc2nc(-c3ccccc3)no2)c(C)c1,CID876417,1.0,,0.0,,,0.0,,,0.0,,,,0.0,,,,
COc1cccc(OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1,CID699725,,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2noc(COc3ccc(Cl)c(C)c3)n2)cc1,CID831603,,,0.0,0.0,,,,,,,0.0,,0.0,,,0.0,0.0
Cc1ccccc1OCc1nc(-c2ccccc2)no1,CID705847,,0.0,0.0,,,,,,,,,,0.0,,0.0,0.0,
Cc1ccccc1OC(C)c1nc(-c2ccccc2)no1,CID2976424,,,0.0,,,,,0.0,0.0,,,,,,,,
COc1ccc(-c2noc(COc3ccc(C)c(C)c3)n2)cc1OC,CID806723,,0.0,,,,,0.0,,0.0,,,,,0.0,,,
Cc1cccc(OCc2nc(-c3ccc(Cl)cc3)no2)c1,CID875193,,,,,,0.0,,,,,,,,,,,
COc1ccc(-c2noc(COc3ccccc3OC)n2)cc1OC,CID1965998,0.0,,,0.0,,,0.0,,0.0,,,,,,,,0.0
c1ccc(OCc2nc(-c3ccccc3)no2)cc1,CID886708,,,,0.0,,,,,,,,0.0,,,,,
Cc1ccc(-c2noc(COc3ccccc3C)n2)cc1,CID874940,,,,0.0,,,0.0,,0.0,,,,0.0,,0.0,,
O=[N+]([O-])c1cccc(-c2noc(COc3ccccc3)n2)c1,CID868108,,,,,,,,,,,,,,0.0,0.0,,
Clc1ccc(-c2noc(COc3ccccc3)n2)cc1,CID886632,,0.0,0.0,0.0,,,,,,,,,0.0,0.0,,0.0,0.0
Cn1c(-c2ccccc2)cc(=O)c2ccccc21,CID776143,,,,,,,0.0,,,,,,,0.0,,0.0,
Cc1ccc2[nH]c(-c3cccc(F)c3)cc(=O)c2c1,CID9547812,,,,,,,,,,,,,,0.0,,,
COc1ccc2[nH]c(-c3cccc(F)c3)cc(=O)c2c1,CID9547813,,,,,,,,,,,,,,,0.0,,
COc1ccc2c(=O)cc(-c3ccccc3)n(C)c2c1,CID253834,,,,,,,,,0.0,0.0,0.0,,,0.0,,,
O=c1cc(-c2ccccc2)[nH]c2ccccc12,CID161091,,0.0,,0.0,,0.0,0.0,,0.0,0.0,,0.0,,,,,
COc1ccc(-c2cc(=O)c3cc(OC)ccc3[nH]2)cc1,CID372265,,,,,,,,,,,,,,,0.0,,
COc1ccc2c(c1)c(=O)cc(-c1ccccc1)n2C,CID622180,,,,,,,,,,,,0.0,,,,,
Cc1ccc2[nH]c(-c3ccccc3)cc(=O)c2c1,CID730810,,,,,,0.0,0.0,0.0,0.0,0.0,,,,,,0.0,
Cc1ccc2[nH]c(-c3ccccc3)c(CN(C)C)c(=O)c2c1,CID730811,,,,,,,,,,,0.0,,,,,,
CCN(CC)Cc1c(-c2ccccc2)[nH]c2ccc(C)cc2c1=O,CID730812,,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2cc(=O)c3ccccc3n2C)cc1,CID826249,,,,,,,,,,0.0,,,,0.0,,,
COc1ccc(-c2cc(=O)c3cc(OC)c(OC)cc3[nH]2)cc1,CID9547806,,,,,,,,,,,,,,0.0,,,
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCc2ccccc2C1,CID739818,,,,,,,,,,,,,,0.0,,,
COc1ccc(OC)c(S(=O)(=O)N2Cc3ccccc3CC2C(=O)O)c1,CID2793684,,,,,,,,0.0,,,,,,0.0,,0.0,
CCOc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1,CID753272,,,,,,,,,0.0,,,,,0.0,,0.0,
COC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1C,CID1092907,,,,,,,,,0.0,0.0,,,,0.0,,,
CCC(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1,CID893536,0.0,,0.0,0.0,,,,0.0,0.0,,,,,,,,0.0
CCOC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1,CID1083014,,,0.0,,,,,,0.0,,0.0,,,,,0.0,
COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1OC,CID667700,,,,,,0.0,,,,0.0,,,,,,,
COc1ccc(S(=O)(=O)N2Cc3ccccc3CC2C(=O)O)cc1OC,CID2793589,,,,0.0,,,,0.0,,0.0,,,,,,,
COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1,CID711111,,,,,,,,,,,,,,0.0,,,
COc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)N1CCc2ccccc2C1,CID1346953,,,,,,,,,,,,,,0.0,,,
COC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1,CID1083026,,,,,,,,,0.0,0.0,,,,,0.0,,
CC(=O)Nc1ccc(S(=O)(=O)N2CCc3c(Cl)cccc3C2)cc1,CID1261961,,,,,,,,,,0.0,,,,,,,
CC(C)O/C(=N\S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1,CID2305336,,,,,,,,,,0.0,,,,,,,
CCOC(=S)N/C(=N\S(=O)(=O)c1ccc(C)cc1)c1ccccc1,CID5566246,,,,,,0.0,,,,,,,,,,,
Cc1ccc(S(=O)(=O)/N=C/c2ccc(N(C)C)cc2)cc1,CID768967,,,,,,,,,,,,,,0.0,,,
N/C(=N\S(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1,CID2945600,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)/N=C(/c2ccccc2)N(C)C)cc1,CID6509286,,,,,,0.0,,,,,,,,,,,
CC(C)OC(=S)N/C(=N\S(=O)(=O)c1ccccc1)c1ccccc1,CID2177194,,,,,,,,,,,,,,,0.0,,
CCOC(=S)N/C(=N\S(=O)(=O)c1ccccc1)c1ccccc1,CID2140494,,,,,,,,,,,,,,0.0,0.0,,
CCCOC(=S)N/C(=N\S(=O)(=O)c1ccccc1)c1ccccc1,CID2179906,,,,,,,,,,,,,,,0.0,,
CC(C)CO/C(=N\S(=O)(=O)c1ccccc1)c1ccccc1,CID1678245,,,,,,,,,,0.0,,,,0.0,,,
COc1ccc(/C=N/S(=O)(=O)c2ccccc2)cc1OC,CID681538,,,,,,,,,,,,,,0.0,,,
CCN(CC)/C(=N\S(=O)(=O)c1ccc(C)cc1)c1ccccc1,CID2872827,,,,,,,,,,,0.0,,,,,,
COc1ccc(/C=N/S(=O)(=O)c2ccc(C)cc2)cc1,CID766935,,,,,,,,,,,,,,0.0,,,
COc1ccc(Cl)cc1NC(=O)CN(C1CCCCC1)S(C)(=O)=O,CID1021981,0.0,0.0,0.0,,0.0,,,,,,0.0,,,,0.0,,0.0
CS(=O)(=O)N(CC(=O)Nc1ccc(Cl)c(Cl)c1)C1CCCCC1,CID1293322,,,,,,,,,,0.0,,,,,,,
CS(=O)(=O)N(CC(=O)Nc1ccc(C(N)=O)cc1)C1CCCCC1,CID2203391,,,,,,,,,0.0,,,,,,,,
CC1CCCC(NCC(=O)Nc2ccc(C(N)=O)cc2)C1C,CID4567717,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccc(NC(=O)CN(C2CCCCC2)S(C)(=O)=O)cc1,CID1292288,,,0.0,,,,,0.0,0.0,,,,,,,0.0,
CCN(CC)CC(=O)N(CC(=O)Nc1c(C)cc(C)cc1C)C1CCCCC1,CID652199,,0.0,,,,,,,0.0,,,,0.0,,,,
CC(=O)c1cccc(NC(=O)CN(C2CCCCC2)S(C)(=O)=O)c1,CID2202367,,0.0,,,,,,,0.0,,,,0.0,,,,
COc1ccc(NC(=O)CN(C2CCCCC2)S(C)(=O)=O)cc1OC,CID1021979,,,,,,,,,,,,,,,,0.0,
CSc1cccc(NC(=O)CN(C2CCCCC2)S(C)(=O)=O)c1,CID1292057,,0.0,0.0,,0.0,,0.0,,,0.0,,0.0,0.0,0.0,0.0,,
CCOc1ccc(NC(=O)CN(C2CCCCC2)S(C)(=O)=O)cc1,CID1021977,,,,,,,,,0.0,,0.0,,,,,,
COC(=O)c1ccccc1NC(=O)CN(C1CCCCC1)S(C)(=O)=O,CID2202439,,,,,,,,0.0,0.0,0.0,0.0,,0.0,,,0.0,
CSc1ccccc1NC(=O)CN(C1CCCCC1)S(C)(=O)=O,CID2201594,,,,,,,,,,0.0,,,,,0.0,,
O=C(CCCOc1ccccc1)Nc1ccc(Br)cc1,CID2290548,,,,,,,,,,,,0.0,,,,,
Cc1ccc(OCCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CID1564898,,,,,,,,,,,,,,0.0,,,
O=C(CCCOc1ccccc1)Nc1cccc(C(=O)O)c1,CID1555156,,,,,,,0.0,,,,0.0,,,,,,
COC(=O)c1cccc(NC(=O)CCCOc2ccccc2)c1,CID1570011,,,,,,0.0,,,,,,,,,,,
O=C(CCCOc1ccc(Cl)cc1)Nc1cccc(C(=O)O)c1,CID1565092,,,,,,,,,,,,,,0.0,,,
COc1ccc([N+](=O)[O-])cc1NC(=O)CCCOc1ccccc1,CID2289671,,,,,,,,,,,,,,,0.0,,
Cc1ccc(OCCCC(=O)Nc2ccc(Br)cc2)cc1,CID1566975,,,,,,,,,,,,0.0,,,,,
COC(=O)c1cccc(NC(=O)CCCOc2cccc(C)c2)c1,CID1565220,,,,,,,,,0.0,,0.0,,,,,,
Cc1cc(Br)ccc1NC(=O)CCCOc1ccccc1,CID2289740,,,,,,,,,,,,0.0,,,,,
COc1cc([N+](=O)[O-])ccc1NC(=O)CCCOc1ccc(C)cc1,CID2790640,,,,,,0.0,,,,,,,,,0.0,,
COc1ccc(OCCCC(=O)Nc2cccc(SC)c2)cc1,CID2665614,,,,,,,,,,,,,,0.0,,,
COc1cc([N+](=O)[O-])ccc1NC(=O)CCCOc1ccccc1,CID2915515,,,,,,0.0,,,,,,,,,0.0,,
CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(CSC)o2)cc1,CID2155641,0.0,,,0.0,0.0,,0.0,,,,,,,,,0.0,
CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(CSC)o2)cc1,CID2155640,0.0,0.0,,,0.0,0.0,,,,,,,,,,,0.0
CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(CSC)o2)cc1,CID3242781,,,,0.0,0.0,,,,,,,,0.0,,,0.0,0.0
CCc1nnc(NC(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)o1,CID2155600,,,,,,,0.0,0.0,,,,,0.0,,,,
CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(COC)o2)cc1,CID2155619,,,,,,,0.0,,0.0,,,,0.0,,,,0.0
COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C)o2)cc1,CID2155678,,,,,,,,,,,,0.0,,,,,
CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(COC)o2)cc1,CID3245034,,,0.0,0.0,,,0.0,,,,,,,,,,
CCc1nnc(NC(=O)c2ccc(S(=O)(=O)N(CCOC)CCOC)cc2)o1,CID2155599,,,,,,,,,0.0,,,,,,,,0.0
CSCc1nnc(NC(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)o1,CID2155653,,,,0.0,0.0,,,,,,,,,,,0.0,0.0
COCc1nnc(NC(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)o1,CID2155633,,,,,,,,,,,,,,,0.0,,
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(CSC)o2)cc1,CID2155639,0.0,0.0,0.0,,0.0,,0.0,,,0.0,,,,0.0,,0.0,0.0
COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(CSC)o2)cc1,CID3528803,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C2/C(=C(/O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1,CID5389243,,0.0,0.0,,,,,,,0.0,,,0.0,,,,
C=CCOc1cccc(C2/C(=C(/O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN2CCOCC2)c1,CID5389470,,,,,,0.0,,,,,,,,,,,
C=CCOc1cccc(C2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2CCN2CCOCC2)c1,CID5389471,,,,0.0,,,,,,,,0.0,,,,,
COc1ccc(/C(O)=C2\C(=O)C(=O)N(CCN3CCOCC3)C2c2ccccc2OC)cc1,CID5389280,0.0,,,,,,,,0.0,,,,,,,,
CC(C)Oc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)C2c2ccccc2)cc1,CID5389239,,0.0,,0.0,,,,0.0,,,,,,,,,
C=CCOc1cccc(C2/C(=C(/O)c3ccc(C)cc3)C(=O)C(=O)N2CCN2CCOCC2)c1,CID5389448,,,,,,,,0.0,,,,,,,,,
COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)C2c2ccc(C)cc2)cc1,CID5310847,,,,,,,,,,0.0,,,,,,,
COc1ccc(C2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2CCN2CCOCC2)c(OC)c1,CID5389184,,,,,,,0.0,,,,0.0,,0.0,,,,
CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)C2c2ccccc2)cc1,CID5389367,,,0.0,,,,,,,,,,,,,,
C=CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)C2c2ccc(C)cc2)cc1,CID5389458,,0.0,,,,,0.0,0.0,,,,,,,,,
COc1ccccc1C1/C(=C(/O)c2ccc(C)cc2)C(=O)C(=O)N1CCN1CCOCC1,CID5389255,,,,,,,,0.0,,,,,,,,,
C=CCOc1cccc(C2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2CCN2CCOCC2)c1,CID5389450,,,,,,,0.0,,,,,,,,,,
COc1ccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1Cl,CID867011,,,0.0,,,,0.0,,,,,,,,,,
COc1ccc(C)cc1NC(=O)c1[nH]c(C)c(C(C)=O)c1C,CID867014,0.0,,,,,,,,,,,0.0,,,,,
CCc1c(C(=O)Nc2cc(C)cc(C)c2)[nH]c(C)c1C(C)=O,CID9550969,,,,,,0.0,,,,,0.0,,,,0.0,,
COc1ccccc1NC(=O)c1[nH]c(C)c(C(C)=O)c1C,CID2115839,,0.0,,0.0,,,0.0,,0.0,0.0,,,,,,,0.0
CCc1c(C(=O)Nc2ccc(OC)cc2)[nH]c(C)c1C(C)=O,CID3245819,0.0,,0.0,,0.0,0.0,,0.0,0.0,,,,,,,,
CCOc1ccc(OCC)c(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)c1,CID3236746,0.0,,,0.0,,,,0.0,,,,0.0,0.0,,,0.0,0.0
CCc1c(C(=O)Nc2cc(C)ccc2OC)[nH]c(C)c1C(C)=O,CID3236655,,,,,0.0,,0.0,,0.0,,,0.0,,,,,0.0
CCN(CC)c1ccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)c(C)c1,CID3243037,,0.0,,0.0,,,,0.0,,,,,0.0,,,,
CC(=O)c1c(C)[nH]c(C(=O)Nc2cc(C)ccc2C)c1C,CID5307840,0.0,,0.0,,,,,,,0.0,,,,,,0.0,
COc1ccc(OC)c(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)c1,CID867000,0.0,,,0.0,,,,0.0,0.0,,,0.0,,,,,0.0
CC(=O)c1c(C)[nH]c(C(=O)Nc2cc(C)cc(C)c2)c1C,CID867004,,,,,,0.0,,,,,,0.0,,,,,
CCc1c(C(=O)Nc2ccc(OC)c(Cl)c2)[nH]c(C)c1C(C)=O,CID3236044,0.0,0.0,,0.0,,0.0,,,,,,0.0,,,,,0.0
CCN(CC)CCCN/C(C)=C1\C(=O)NC(=O)N(c2ccccc2)C1=O,CID5389595,,,,,,0.0,,,,,,,,,,,
CCN(CC)CCCN/C=C1/C(=O)NC(=O)N(c2cccc(C)c2C)C1=O,CID5389929,,,,,,,,0.0,,0.0,,,,,,,
CSCCC(N/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O)C(=O)OC(C)(C)C,CID6238858,,,,,,,,,,,,0.0,,,0.0,,
CSCCC(N/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O)C(=O)O,CID5389883,,0.0,,,,,,,,,,,0.0,,,,0.0
CN(C)CCN/C=C1\C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O,CID5389188,,,,,,,0.0,,,0.0,,,,,,,
CC/C(NCCO)=C1/C(=O)NC(=O)N(c2ccccc2)C1=O,CID5389507,,0.0,,,,,,,,0.0,,,0.0,,0.0,,
CCN(CC)CCCN/C=C1\C(=O)NC(=O)N(c2ccccc2F)C1=O,CID5389559,,,,0.0,,,,0.0,,,,,0.0,,,,
CCN(CC)CCCN/C(C)=C1\C(=O)NC(=O)N(c2ccc(C)cc2)C1=O,CID5389670,,,,,,,,,,,,,,,0.0,,
CCCCN/C=C1/C(=O)NC(=O)N(c2c(C)cc(C)cc2C)C1=O,CID5310635,,0.0,,,,,,,,,,,,,,,
CCC(C)N/C=C1/C(=O)NC(=O)N(c2ccccc2)C1=O,CID5720510,,,,,,,,,,0.0,,,,,,,
CCOc1ccc(N2C(=O)NC(=O)/C(=C/NCCN(CC)CC)C2=O)cc1,CID5310597,,,0.0,,,,,,,,,,,,,,0.0
CC/C(NCCCN(CC)CC)=C1/C(=O)NC(=O)N(c2ccccc2)C1=O,CID5389503,,,0.0,,,,,,,,,,,,,,
CC(=O)Nc1nonc1-c1nc2ccccc2n1N(C(C)=O)C(C)=O,CID540392,,,,0.0,,,,,,,,,0.0,,,0.0,
CCCn1c(-c2nonc2N)nc2ccccc21,CID589102,,,,,,,,,,,,0.0,,,,,
CC(=O)Nc1nonc1-c1nc2ccccc2n1CCC#N,CID607402,,0.0,,0.0,,,0.0,,,,,,,,,,
CCC(=O)Nc1nonc1-c1nc2ccccc2n1CCC(C)C,CID1492410,,0.0,,,,0.0,0.0,,,,,,0.0,0.0,0.0,,
CCC(=O)Nc1nonc1-c1nc2ccccc2n1CC(C)C,CID686777,,0.0,0.0,,,,,,,0.0,,,0.0,0.0,,,0.0
CC(C)CCn1c(-c2nonc2N)nc2ccccc21,CID747997,,,,,,,,,0.0,,,0.0,,,,,
NNC(=O)Cn1c(-c2nonc2N)nc2ccccc21,CID672026,,,,,,,,,,,,,,,0.0,,
CCC(=O)Nc1nonc1-c1nc2ccccc2n1N(C(=O)CC)C(=O)CC,CID627093,,0.0,0.0,,,,,,,,,,,,,0.0,
Nc1nonc1-c1nc2ccccc2n1CCC(=O)O,CID718302,,0.0,,,,,0.0,0.0,,,0.0,,0.0,,0.0,,
C=COCCn1c(-c2nonc2N)nc2ccccc21,CID2883004,,,,1.0,,,,,,,,,,,0.0,,
CC(=O)Nc1nonc1-c1nc2ccccc2n1CCC(C)C,CID714168,,,,,,0.0,,0.0,,,,,,,,,
CCCCn1c(-c2nonc2N)nc2ccccc21,CID3146210,,,,,,,,,,,,0.0,,,,,
Cn1c(-c2ccccc2)cccc1=O,CID739288,,,,0.0,,0.0,,,0.0,0.0,,,,,0.0,0.0,0.0
Cn1c(-c2ccc(Cl)cc2)ccc(C#N)c1=O,CID1488322,,,,,,,,,,,,0.0,,0.0,0.0,,
C=CCn1c(-c2ccc(Cl)cc2)ccc(C#N)c1=O,CID1488323,,,,,,,,,,,,,,0.0,,,
C=CCn1c(-c2ccccc2)cc(SC)c(C#N)c1=O,CID1476676,,,,,,,,,,,,,,,0.0,,
CCn1c(-c2ccccc2)ccc(C#N)c1=O,CID1488311,,,,,,,,,,,,0.0,,,,,
O=c1cccc(-c2ccccc2)[nH]1,CID87889,,,,,,,,,,,,0.0,,,,,
CSc1cc(-c2ccc(Cl)cc2)[nH]c(=O)c1C#N,CID2743471,,,,,,,,,,,,,,0.0,,,
CCOC(=O)Cn1c(-c2ccccc2)ccc(C#N)c1=O,CID1488301,,,,,,,,,,,,,,,0.0,,
C=CCn1c(-c2ccccc2)ccc(C#N)c1=O,CID1488306,,,,,,,,,,,,,,0.0,0.0,,
N#Cc1c(C(F)(F)F)cc(-c2cccc(Cl)c2)[nH]c1=O,CID1477184,,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2ccc(C(=O)O)c(=O)[nH]2)cc1,CID2768366,,,,,,,,,,,,,,,0.0,,
CSc1cc(-c2ccccc2)[nH]c(=O)c1C#N,CID1471774,,,,,,,,,,,,,,,0.0,,
O=C(O)c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1,CID703457,,,,,,,,,,,,,,0.0,,,
O=[N+]([O-])c1ccc(Sc2ccccc2Cl)nc1,CID901283,,,,,,,,,,,,,,0.0,0.0,,
Cc1cc(C)c(C#N)c(Sc2ccccc2N)n1,CID2726035,,,,,,,,,,,,,,,0.0,,
Nc1cccnc1Sc1cccc(Cl)c1,CID901296,,,,,,,,,,,,,,0.0,,,
Cc1cccc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1,CID3631492,,,,,,,,,,,,,,,0.0,,
Cc1ccc(Sc2nc(C)cc(C)c2S(C)(=O)=O)cc1,CID1480815,,,,,,0.0,,,,,,,,,0.0,,
Cc1cc(C)c(C#N)c(Sc2ccc(N)cc2)n1,CID7312382,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1,CID726084,,,,,,,,,,,,,,,0.0,,
Cc1ccc(Sc2ncccc2/C=N/O)cc1,CID1471329,,,,,,,,,,,,,,,0.0,,
Cc1ccc(Sc2ncccc2C(=O)O)cc1C,CID2454959,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)c(S(C)(=O)=O)c(Sc2ccc(Cl)cc2)n1,CID1484383,,,,,,,,,,,,,,0.0,,,
O=[N+]([O-])c1ccc(Cl)cc1Sc1ccccn1,CID959555,,,,,,,,,,,,,,0.0,0.0,,
CC(=O)Nc1ccc(S(=O)(=O)N2CCSC2c2ccccc2)cc1,CID652128,,0.0,,,0.0,,0.0,,,0.0,0.0,,,,,,
COc1ccccc1C1SCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1,CID646735,,,,,0.0,,0.0,,,,,,,,,,0.0
COc1cc(OC)c(C2SCCN2S(=O)(=O)c2ccc(F)cc2)cc1OC,CID655645,,,,,,,,,,,,,,,,0.0,
COc1ccc(S(=O)(=O)N2CCSC2c2ccc(N)cc2)cc1,CID653049,,,,,0.0,0.0,0.0,,,0.0,,,,,,,
CC(=O)Nc1ccc(S(=O)(=O)N2CCSC2c2ccc(Cl)cc2)cc1,CID654431,,,0.0,,,,,,,,,,,,,,
CC(=O)Nc1ccc(S(=O)(=O)N2CCSC2c2ccc(C)cc2)cc1,CID645703,,,0.0,0.0,0.0,0.0,0.0,,,0.0,0.0,,,,,,
COc1ccc(C2SCCN2S(=O)(=O)c2ccccc2)cc1OC,CID652980,,,,0.0,,,,,,,,,,,,,0.0
COc1ccc(S(=O)(=O)N2CCSC2c2ccccc2Cl)cc1,CID2880428,,,,,,0.0,,,,,,,,,,,
CC(=O)Nc1ccc(S(=O)(=O)N2CCSC2c2ccccc2Cl)cc1,CID656155,,,,0.0,,,,,0.0,,,,,,0.0,,
COc1ccc(S(=O)(=O)N2CCSC2c2ccc(OC)c(OC)c2)cc1,CID649048,,,,,,,,,0.0,,,,0.0,,,,
COc1ccc(OC)c(C2SCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)c1,CID3236242,,,,,0.0,,,,,,,,,,,,
COc1ccc(S(=O)(=O)N2CCSC2c2ccccc2)cc1,CID648993,,,,,,,0.0,,,0.0,,,,,,,
CC(Oc1ccccc1Cl)c1nnc(N)s1,CID3155973,,,,,,,,,0.0,,,,,,,,
Cc1cccc(OCc2nnc(N)s2)c1,CID803234,,,0.0,0.0,,,,0.0,,,,,,,,,
CCc1ccccc1OCc1nnc(N)s1,CID936578,,0.0,,,,,,0.0,,,,,0.0,,,,0.0
COC(=O)C(=O)Nc1nnc(COc2ccccc2)s1,CID3212596,,,,,,0.0,,,0.0,0.0,,0.0,,,,,
COCC(=O)Nc1nnc(COc2ccccc2)s1,CID652594,,0.0,,0.0,,0.0,,,0.0,,,0.0,0.0,,,0.0,
CC(C)COC(=O)Nc1nnc(COc2ccccc2)s1,CID811180,,,0.0,,0.0,0.0,0.0,,,0.0,,,,,0.0,0.0,
Nc1nnc(COc2ccccc2)s1,CID575084,,,,,,,,,,,,0.0,,,,,
Cc1ccc(OC(C)c2nnc(N)s2)cc1Cl,CID2964820,,0.0,0.0,0.0,,,,,,,,,,,,,
COCC(=O)Nc1nnc(COc2ccc(Cl)cc2)s1,CID1086918,,,,,,,,,,0.0,,,,,,,
CCCCOC(=O)Nc1nnc(COc2ccccc2)s1,CID1720775,0.0,,,,0.0,0.0,,,,,,,,,,,
Nc1nnc(COc2cccc(C(F)(F)F)c2)s1,CID974675,,0.0,,,0.0,,,0.0,,0.0,,,,,,,0.0
CCOCC(=O)Nc1nnc(COc2ccc(Cl)cc2)s1,CID648876,0.0,0.0,,,0.0,,,,,,,,0.0,,,,0.0
O=C(NCCN1CCOCC1)c1cccc(Cl)c1,CID669179,,0.0,,,,,0.0,,,,,,,,,0.0,0.0
CCOc1cc(C(=O)NCCN2CCOCC2)cc(OCC)c1OCC,CID1116277,,,0.0,0.0,,,,,,,,,,,,,0.0
O=C(NCCN1CCOCC1)c1c(F)c(F)c(F)c(F)c1F,CID2165730,,,,,,,,,0.0,,,,,,,,
COc1cccc(C(=O)NCCN2CCOCC2)c1,CID3118713,,,,,,0.0,,,,,,,,,,,
O=C(NCCN1CCOCC1)c1ccc(Cl)cc1[N+](=O)[O-],CID743667,,,,,,,,,,,,0.0,,,,,
O=C(NCCN1CCOCC1)c1ccc(Cl)cc1,CID4235,0.0,,0.0,0.0,,,,,,0.0,,0.0,0.0,,,0.0,0.0
O=C(NCCN1CCOCC1)c1ccc(F)cc1,CID835134,,,,,,,,,,,,0.0,,,,,
COc1ccc(C(=O)NCCN2CCOCC2)cc1OC,CID754509,,,,,,,,,,,,0.0,,,,,
COc1cc(C(=O)NCCN2CCOCC2)cc(OC)c1OC,CID749260,,,,,,,,,,,,0.0,,,,,
Cc1ccc(C(=O)NCCN2CCOCC2)cc1,CID803484,,,,,,,,,,,,0.0,,,,,
O=C(NCCN1CCOCC1)c1ccccc1[N+](=O)[O-],CID743298,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C(=O)NCCN2CCOCC2)cc1Cl,CID1121610,,,,,,,,,,,,,0.0,,,0.0,0.0
COc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4cccc(Cl)c4)c3n2)cc1OC,CID3245989,0.0,,,,0.0,,,,,,,,,,,,
Cc1cccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccccc4Cl)nc32)c1,CID5310303,,,,,,,,,,,,,0.0,,,,
COc1cccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccccc4)c3n2)c1OC,CID5310448,,,,0.0,,,,0.0,,,,,,,,,
COc1cccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4cccc(Cl)c4)c3n2)c1OC,CID5310248,,,0.0,,,,,,,,,,0.0,,,,
CCOc1ccccc1-c1nc(C(N)=O)c2[nH]c(=O)n(-c3cccc(C)c3)c2n1,CID3237332,,,0.0,,,,,0.0,,,,,,,,,0.0
COc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4cccc(C)c4)c3n2)c(OC)c1,CID5310351,,,,,,,,0.0,,,,,0.0,,,,
COc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccccc4OC)c3n2)c(OC)c1,CID5310465,,,,,,,,0.0,,0.0,,0.0,,,,,
CCc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccccc4OC)c3n2)cc1,CID5310250,,,,,,,,0.0,,,,,,0.0,,,
CCOc1ccccc1-c1nc(C(N)=O)c2[nH]c(=O)n(-c3ccc(F)cc3)c2n1,CID5310561,,,0.0,,,,,,,,,,,,,,
CCOc1ccccc1-c1nc(C(N)=O)c2[nH]c(=O)n(-c3ccccc3)c2n1,CID3245299,,,,,,,0.0,0.0,,,,,,,0.0,0.0,
COc1ccccc1-c1nc(C(N)=O)c2[nH]c(=O)n(-c3cccc(C)c3)c2n1,CID3239826,,0.0,,0.0,,,,,,,,,0.0,,,0.0,
COc1ccc(OC)c(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccc(F)cc4)c3n2)c1,CID5310589,0.0,,,,,,0.0,,,,,,,,,,
CCOC(=O)Cn1c(-c2cccnc2Cl)nc2cc(C)c(C)cc21,CID1483845,,,,,,0.0,,,,,,0.0,,0.0,0.0,,
Cc1ccc2nc(-c3ccc(SCC(=O)O)nc3)[nH]c2c1,CID648578,0.0,0.0,0.0,0.0,0.0,,0.0,0.0,,,,,0.0,,0.0,0.0,
CCOC(=O)CSc1ccc(-c2nc3ccccc3[nH]2)cn1,CID1432662,,,,,,,,,,,0.0,,,,0.0,,
COC(=O)CSc1ncccc1-c1nc2ccccc2[nH]1,CID645213,0.0,,,0.0,0.0,,,,,0.0,,0.0,,,,0.0,
COC(=O)CSc1ccc(-c2nc3ccc(C)cc3[nH]2)cn1,CID3231088,,,,,,,,,,,,0.0,,,,,
c1cncc(-c2nc3ccccc3[nH]2)c1,CID247635,,,,,,0.0,,,,,,,,,,,
N#CCSc1ncccc1-c1nc2ccccc2[nH]1,CID3227726,,,,,,,,,,0.0,0.0,,,,,,
CCOC(=O)Cn1c(-c2ccc(Cl)nc2)nc2ccccc21,CID1488402,,,,,,,,,,,,,,0.0,,,
N#CCCCSc1ncccc1-c1nc2ccccc2[nH]1,CID649036,,0.0,,0.0,,,,0.0,,0.0,0.0,,0.0,,,0.0,0.0
CCOC(=O)CSc1ccc(-c2nc3cc(C)c(C)cc3[nH]2)cn1,CID1432659,,,,,,,,,,,0.0,,,,,,
CC(=O)Nc1ccc2nc(-c3cccnc3)[nH]c2c1,CID645726,,,,,,,0.0,,,,,,0.0,,,0.0,
CCSc1ncccc1-c1nc2ccccc2[nH]1,CID1432224,,,,,,,,,,,0.0,,,0.0,,,
CCOC(=O)N1CCN(C(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)CC1,CID654959,,,,,0.0,,,,,,0.0,,,,,0.0,
COc1ccc(N(CC(=O)N2CCN(C)CC2)S(=O)(=O)c2ccccc2)cc1OC,CID1085629,,,,,0.0,0.0,,,,0.0,,,0.0,,,0.0,0.0
CCOC(=O)N1CCN(C(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)CC1,CID1148700,,,,,0.0,0.0,,,,,0.0,,,,,,0.0
COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C)CC2)c2ccc(C)cc2)cc1OC,CID645391,,,0.0,,0.0,,0.0,,,,0.0,,,,,,
COc1cccc(N(CC(=O)N2CCN(C)CC2)S(=O)(=O)c2ccc(C)cc2)c1,CID649981,,0.0,,0.0,0.0,,,,,,,,0.0,0.0,,,0.0
CN1CCN(C(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)CC1,CID662555,0.0,,,0.0,0.0,,,,,0.0,0.0,0.0,0.0,,0.0,,0.0
CCOC(=O)N1CCN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccccc2)CC1,CID1137865,0.0,,,,,,,,0.0,,,,0.0,,,,0.0
COc1cccc(N(CC(=O)N2CCN(C)CC2)S(=O)(=O)c2ccccc2)c1,CID651560,,,0.0,0.0,0.0,,0.0,0.0,,,,,,,,,
CCOC(=O)N1CCN(C(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)CC1,CID1143256,,,0.0,,0.0,,,,,,0.0,,,,,,0.0
CCOC(=O)N1CCN(C(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)CC1,CID986888,,,,,0.0,,,0.0,,,,,,,,,
CCOC(=O)N1CCN(C(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)CC1,CID2913074,,,,,0.0,,,,,,,,0.0,,,0.0,
COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C)CC2)c2ccccc2)cc1OC,CID655554,,,0.0,,0.0,,0.0,0.0,,,,,0.0,0.0,,0.0,
CS(=O)(=O)Nc1ccc(C(=O)NCc2ccccn2)cc1,CID2226217,,0.0,0.0,,,,,,0.0,,,0.0,,,,0.0,
CCOc1ccc(C(=O)NCc2ccccn2)cc1,CID673606,,,,,0.0,,,0.0,,,,,,,,,
CCCCOc1ccc(C(=O)NCc2ccccn2)cc1,CID2231736,0.0,,,,0.0,,0.0,,,0.0,,,0.0,0.0,,0.0,0.0
O=C(NCc1ccccn1)c1ccc(Cl)cc1Cl,CID668842,0.0,,,,,,0.0,,,,,,,,,,
N#CCC(=O)Nc1ccc(C(=O)NCc2ccccn2)cc1,CID2096171,,,,,,,,,,,,,,,0.0,,
O=C(NCc1ccccn1)c1c(Cl)cccc1Cl,CID656013,0.0,,,,,,,,,,,,0.0,,,,
COc1ccc(C(=O)NCc2ccccn2)cc1[N+](=O)[O-],CID873142,,,,,,,,,,,,,,,0.0,,
O=C(NCc1ccccn1)c1ccccc1Cl,CID668839,0.0,0.0,0.0,,,,0.0,,,,,,,0.0,,0.0,
CN(c1ccccc1C(=O)NCc1ccccn1)S(C)(=O)=O,CID970060,,,0.0,0.0,,,,0.0,0.0,,,,,,,0.0,0.0
Cc1ccc(C(=O)NCc2ccccn2)c(Cl)c1,CID1082797,,,,,,,,,,0.0,,,,0.0,,,
CN(c1ccc(C(=O)NCc2ccccn2)cc1)S(C)(=O)=O,CID900503,,,,,,,,,0.0,0.0,,,,,,,
COc1ccc(C(=O)NCc2ccccn2)cc1,CID853196,,,,,,,,,,0.0,0.0,0.0,,,,,
CCn1c2ccc(Cl)cc2c2nc3ccccc3nc21,CID1523680,,,,,,,,,,,,0.0,,,,,
CCOC(=O)Cn1c2ccccc2c2nc3ccccc3nc21,CID645300,,,,,,,,,,,0.0,0.0,0.0,,,,0.0
COC(=O)Cn1c2ccc(OC)cc2c2nc3ccccc3nc21,CID662646,,,0.0,0.0,,,,,,,,,0.0,,,,
CCn1c2ccccc2c2nc3ccccc3nc21,CID746478,,,0.0,,,0.0,,,,,,,,,,,
N#CCCn1c2ccccc2c2nc3ccccc3nc21,CID649775,,,,0.0,,,,,,,,0.0,,,,,
COc1cc2nc3c4ccccc4n(CC#N)c3nc2cc1OC,CID667084,,,,0.0,,0.0,,0.0,,,,,,,,,
CC(C)n1c2ccccc2c2nc3ccccc3nc21,CID2131318,,0.0,0.0,,,,,0.0,,,0.0,,,,0.0,,
c1ccc2nc3c(nc2c1)[nH]c1ccccc13,CID5356192,,,0.0,,,,,0.0,,,,,0.0,,0.0,,
CCCCOC(=O)Cn1c2ccc(OC)cc2c2nc3ccccc3nc21,CID1947513,,,,,,,,,,,,0.0,,,,,
Cn1c2ccc(Cl)cc2c2nc3ccccc3nc21,CID3155707,,,,,,,0.0,,,,,0.0,0.0,,,,
Fc1ccc2nc3[nH]c4ccccc4c3nc2c1,CID5771437,,,,,,,,0.0,,0.0,,,,,,,
CCn1c2ccccc2c2nc3cc(OC)c(OC)cc3nc21,CID808421,,,0.0,,,0.0,,0.0,,,,,,0.0,,,
CCn1c(CNc2ccc(F)cc2)nnc1SCC(=O)Nc1ccccc1OC,CID1133053,,,,,,,,,,0.0,0.0,,,,,,
CCn1c(CNc2ccc(F)cc2)nnc1SCC(=O)Nc1ccc(OC)cc1,CID1133052,,,,,,,,,,0.0,0.0,,,,,,
CCn1c(CNc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(F)cc1,CID1076909,,,,,,,,,,,,,,0.0,,,
CCOC(=O)CN(C(=O)CSc1nnc(CNc2ccc(C)cc2C)n1CC)c1ccccc1,CID645338,0.0,,,,,,,0.0,,,,,,,,,
COC(=O)c1ccc(NC(=O)CSc2nnc(CNc3ccc(F)cc3)n2C)cc1,CID649743,0.0,,,,0.0,,,,,0.0,,,,,0.0,,
COC(=O)c1ccc(NC(=O)CSc2nnc(CNc3ccc(OC)cc3)n2C)cc1,CID644528,,,,,0.0,,,,,,,,,,,,
CCn1c(CNc2ccc(F)cc2)nnc1SCC(=O)Nc1ccc(OC)cc1OC,CID653028,0.0,,,,0.0,,,,,0.0,,,,,,,
CCOC(=O)CN(C(=O)CSc1nnc(CNc2ccc(F)cc2)n1C)c1ccccc1,CID3167834,,,,,,,,,,,0.0,,,,,,
CCOC(=O)c1ccc(NC(=O)CSc2nnc(CNc3ccc(C)cc3)n2C)cc1,CID1123950,,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1ccc(NC(=O)CSc2nnc(CNc3ccc(OC)cc3)n2C)cc1,CID652372,,,0.0,,0.0,,,,,,0.0,,,,,,
COCCn1c(CNc2ccc(F)cc2)nnc1SCC(=O)Nc1ccc(OC)cc1OC,CID655146,,,,,,,,0.0,,0.0,,,,,,,
CCOC(=O)c1cccc(NC(=O)CSc2nnc(CNc3ccc(C)cc3)n2CC)c1,CID644469,0.0,,,,0.0,,,,,,0.0,,,,,,
COc1cc(C=O)ccc1OCCOCCOc1ccccc1Cl,CID2283201,,,,,,,,,,,,,,0.0,,,
CCOc1cccc(OCCOCCOc2ccccc2C(C)=O)c1,CID2283442,,,,,,,,,,,,,,,0.0,,
C=CCc1ccc(OCCOCCOc2ccc(C)cc2[N+](=O)[O-])c(OC)c1,CID2285721,,,,,,0.0,,,,,,,,,0.0,,
COc1cc(C)ccc1OCCOCCOc1ccccc1Br,CID2283053,,,,,,,,,,,,0.0,,,,,
COc1cc(C=O)ccc1OCCOCCOc1ccc(Cl)cc1,CID2285710,,,,,,,,,,,,,,0.0,,,
COc1cc(C)ccc1OCCOCCOc1ccc([N+](=O)[O-])cc1,CID2282892,,,,,,,,,,,,,,,0.0,,
O=C(O)c1ccccc1OCCOCCOc1ccccc1C(=O)O,CID2215647,,,0.0,,,,,,,,,,,,,,
CCOc1ccc(OCCOCCOc2ccccc2Cl)cc1,CID2284414,,,,,,,,,,,,,,0.0,,,
Nc1ccccc1OCCOCCOc1ccccc1N,CID239750,0.0,0.0,,0.0,0.0,,0.0,0.0,,0.0,,,,,,,0.0
C=CCc1ccc(OCCOCCOc2ccccc2[N+](=O)[O-])c(OC)c1,CID2292021,,,,,,,,,,,,,,,0.0,,
COc1cccc(OCCOCCOc2ccc(C)cc2[N+](=O)[O-])c1,CID2285732,,,,,,,,,,,,,,,0.0,,
COc1cc(C=O)ccc1OCCOCCOc1cc(C)ccc1Cl,CID2264221,,,,,,,,,,,,0.0,,0.0,,,
O=C(NC(=S)Nc1ccccc1)c1ccc(Br)o1,CID892808,,,,,,,,,,,,,,0.0,,,
CCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccco2)cc1,CID738224,,,,,,0.0,,,,,,,,,,,
CN(C(=S)NC(=O)c1ccc(Br)o1)c1ccccc1,CID1051652,,,,,,,,,,,,,,0.0,,,
COc1ccc(OC)c(NC(=S)NC(=O)c2ccco2)c1,CID738215,,,,,,0.0,,,,,,,,,,,
CC(=O)NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccco2)cc1,CID2293443,,,,,,,,,,,,0.0,,,,,
Cc1cccc(NC(=S)NC(=O)c2ccc(Br)o2)c1C,CID1015613,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC(=S)NC(=O)c2ccc(Br)o2)c(C)c1,CID1014955,,,,,,,,,,,,,,,0.0,,
Cc1cccc(NC(=S)NC(=O)c2ccc(Br)o2)c1,CID833604,,,,,,,,,,,,,,0.0,,,
O=C(NC(=S)Nc1cccc([N+](=O)[O-])c1)c1ccco1,CID840368,,,,,,,,,,,,,,0.0,,,
COc1cc(NC(=S)NC(=O)c2ccco2)ccc1NC(=O)C(C)C,CID1242069,,,,,,,,,,,,,,0.0,,,
O=C(NC(=S)Nc1ccccc1F)c1ccc(Br)o1,CID895560,,,,,,,,,,,,,,0.0,,,
Cc1cccc(C)c1NC(=S)NC(=O)c1ccc(Br)o1,CID2234382,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(Br)cc1C1SCCN1S(C)(=O)=O,CID661362,,,,,,,,,0.0,,,,,,,,
COc1ccc(C2NC(C(=O)O)CS2)cc1COCC(F)(F)F,CID3242869,,,,,,,,,,,,,,,,,0.0
CCOC(=O)COc1ccc(C2NC(C(=O)O)CS2)cc1,CID3245693,,,,0.0,,,,,,,,,,,,0.0,
CC(=O)N1C(C(=O)O)CSC1c1ccc(C)cc1,CID2731623,,,,,,0.0,,0.0,0.0,,,,,,,,
Brc1ccc(C2NCCS2)cc1,CID2771064,,,,,,,,,,,,,,0.0,,,
COc1ccc(OC)c(C2SCCN2S(C)(=O)=O)c1,CID3151547,,,,,,,,,,0.0,0.0,,,,,,
CCC(=O)N1C(C(=O)O)CSC1c1ccc(OC)cc1,CID5309963,,,,,,0.0,,0.0,,,,,,0.0,,,
CN(C)c1ccc(C2NCCS2)cc1,CID120774,,,,,0.0,,,0.0,,,,,,,,,
COC(=O)c1ccc(C2NC(C(=O)O)CS2)cc1,CID660308,,,0.0,,,,,,,,,0.0,,,,,
CC(=O)N1C(C(=O)O)CSC1c1cccc(C)c1,CID3238943,,,,,,,0.0,0.0,0.0,0.0,,,,,,,
COc1ccccc1C1SCCN1S(C)(=O)=O,CID664712,,,,,,,,,,,,,0.0,,,,0.0
COc1ccc(C2SCC(C(=O)O)N2C(C)=O)cc1OC,CID5309548,,0.0,,,,,,,,,0.0,,,,,,
COc1ccc(C(=O)CSc2nnc(-c3cc(C)cc(C)c3)o2)cc1,CID648707,0.0,0.0,,0.0,,,,,,0.0,,0.0,0.0,,0.0,,
COc1cccc(C(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)c1,CID3240175,,,0.0,,0.0,0.0,,0.0,,0.0,0.0,,,,,0.0,
COc1cc(-c2nnc(SCC(=O)c3ccc(C)cc3)o2)cc(OC)c1OC,CID3240787,,,,0.0,0.0,,,,,0.0,0.0,,,,,,
CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)c3ccc(OC)cc3)o2)cc1,CID645023,,,,,0.0,,,,,,,,,,,,
COc1ccc(C(=O)CSc2nnc(-c3ccccc3)o2)cc1,CID851265,0.0,,0.0,,,,0.0,0.0,,,,,,,,,0.0
COc1ccc(OC)c(C(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)o2)c1,CID649088,,,0.0,,0.0,,,,,,,,,,,,
Cc1cc(C)c(C(=O)CSc2nnc(-c3ccccc3Br)o2)cc1C,CID2113703,0.0,,,,,,0.0,,0.0,,,,,,,,0.0
COc1cc(-c2nnc(SCC(=O)c3ccccc3)o2)cc(OC)c1OC,CID3236579,,,,,0.0,,,,,0.0,,,,,,,
CCS(=O)(=O)Nc1ccc(-c2nnc(SCC(=O)c3ccc(NC(C)=O)c(OC)c3)o2)cc1,CID653071,,,0.0,,0.0,,,,,0.0,,,,,,0.0,
COc1cccc(C(=O)CSc2nnc(-c3cc(OC)cc(OC)c3)o2)c1,CID652632,,,0.0,,0.0,0.0,,,0.0,0.0,0.0,,0.0,0.0,,0.0,
COc1ccc(C(=O)CSc2nnc(-c3ccc(C)cc3)o2)cc1,CID648176,0.0,,,,,,,,,,,,,,,,0.0
CCS(=O)(=O)Nc1ccc(-c2nnc(SCC(=O)c3cccc(OC)c3)o2)cc1,CID647217,,,0.0,,0.0,,0.0,,,,0.0,,,,0.0,,
COc1ccc(S(=O)(=O)NCc2ccccn2)cc1,CID668975,,,,,,,,,,0.0,,,,,,,
O=S(=O)(NCc1ccccn1)c1ccc(F)cc1,CID674996,,,,,,0.0,,,,,,0.0,,,,,
Cc1ccc(S(=O)(=O)NCc2ccccn2)cc1,CID731623,,,,,,,,,,,,0.0,,,,,
CCOc1ccc(S(=O)(=O)NCc2ccccn2)cc1,CID975564,,,,,,,,,,0.0,,,,,,,
CCOc1ccc(Cl)cc1S(=O)(=O)NCc1ccccn1,CID1106588,,,,,,,,,,,,,,0.0,,,
COc1ccc(S(=O)(=O)NCc2ccccn2)cc1Cl,CID974269,0.0,,,,,,,,,,0.0,,,,,,0.0
COc1ccc(OC)c(S(=O)(=O)NCc2ccccn2)c1,CID786080,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(C)C)cc1S(=O)(=O)NCc1ccccn1,CID850040,0.0,,0.0,0.0,,,,0.0,,,0.0,0.0,,,,,0.0
CCOc1cc(S(=O)(=O)NCc2ccccn2)c(C)cc1C,CID850041,0.0,,,,,0.0,0.0,,,,,,,,,,0.0
O=S(=O)(NCc1ccccn1)c1ccccc1,CID668955,,,,,,,,,,,,,,0.0,,,
CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)NCc1ccccn1,CID850055,0.0,,,0.0,,,0.0,,,,0.0,0.0,,,,,0.0
CCOc1cc(S(=O)(=O)NCc2ccccn2)ccc1Cl,CID978045,,,,,,,,,,0.0,0.0,,,,,,
C=CCSc1ncccc1C(=O)NCc1ccccc1,CID3240768,,0.0,,0.0,0.0,0.0,,,,,,,,,,,0.0
O=C(NCc1ccccc1)c1cncc(Br)c1,CID835760,,,,,,,,,,,,,,,0.0,,
CC(NC(=O)c1cncc(Br)c1)c1ccc(S(N)(=O)=O)cc1,CID2999320,0.0,,,,,,,,0.0,,,,,,,0.0,
O=C(NCc1cccc(Cl)c1)c1cccnc1,CID1244296,0.0,,,,,,,,,0.0,,,,0.0,,,
CSc1ncccc1C(=O)NCc1ccc(C)cc1,CID2576591,,,,,,,,,,,,0.0,,,0.0,,
O=C(NCc1ccc(Cl)cc1)c1cccnc1,CID790421,,0.0,0.0,0.0,,,,,,0.0,,,0.0,,,0.0,0.0
CCOc1ncccc1C(=O)NCc1ccc(OC)cc1,CID1478068,,,,,,,,,,,,0.0,,,,,
O=C(NCc1ccc(Cl)c(Cl)c1)c1cccnc1,CID887287,0.0,,0.0,,,,0.0,,,,,,,,,,
COc1ccc(CNC(=O)c2cccnc2SC)cc1OC,CID2441423,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(CN(C)C(=O)c2cccnc2SC)cc1OC,CID2650154,,,,,,,,,,,,,,0.0,,,
CCOc1ncccc1C(=O)NCc1ccc(C)cc1,CID2450814,,,,,,,,,,,,,,0.0,,,
CCOc1ncccc1C(=O)NCc1ccccc1Cl,CID2574091,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(Br)cc1S(=O)(=O)NCCCN1CCOCC1,CID2059491,,,,,,,,,,,,,,0.0,,,
COc1cc(C)c(Br)cc1S(=O)(=O)NCCCN1CCOCC1,CID2235534,,,,,,,,,,,,,,0.0,,,
CCOC(=O)Nc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1,CID2185728,,,0.0,,,,,0.0,0.0,0.0,,,,,,0.0,0.0
Cc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1C,CID2273146,,0.0,,0.0,0.0,,,0.0,,,0.0,,,,,,0.0
CCOc1ccc(OCC)c(S(=O)(=O)NCCCN2CCOCC2)c1,CID2266596,,,,,0.0,,,,,,,,,,,,
COc1cc(C)c(Cl)cc1S(=O)(=O)NCCCN1CCOCC1,CID2239372,,,,,,,,,,,0.0,,,0.0,0.0,,
O=[N+]([O-])c1cccc(S(=O)(=O)NCCCN2CCOCC2)c1,CID2886188,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1,CID208532,,,,,,,,,0.0,0.0,0.0,,,,,,
Cc1cc(C)c(S(=O)(=O)NCCCN2CCOCC2)cc1Br,CID2293541,0.0,,,,,,,,,,,,,,,0.0,0.0
Cc1ccc(S(=O)(=O)NCCCN2CCOCC2)c(C)c1,CID2104277,,0.0,,,0.0,,,,0.0,,,,,,,,
COc1cc(Cl)c(S(=O)(=O)NCCCN2CCOCC2)cc1Cl,CID654841,,,,,,,,,,,,,,0.0,,,
Cc1cc(S(=O)(=O)NCCCN2CCOCC2)ccc1F,CID3243079,,,,,,,,0.0,,,,,,,,,
O=C(NCc1ccccn1)Nc1cccc(Cl)c1,CID771148,0.0,0.0,,,,,,,,,,,,,,0.0,0.0
CC(=O)c1cccc(NC(=O)NCc2ccccn2)c1,CID972071,,0.0,,,,,,0.0,,,,0.0,,0.0,,0.0,
COc1ccc(NC(=O)NCc2ccccn2)cc1,CID846930,,,,,,,,,0.0,,,0.0,,,,,
COc1ccc(NC(=O)NCc2ccccn2)cc1OC,CID971285,0.0,,0.0,,,,0.0,,0.0,,0.0,,,,,,
Cc1cccc(NC(=O)NCc2ccccn2)c1,CID841538,,,,,,,,,,,,0.0,,0.0,,,
O=C(NCc1ccccn1)Nc1ccc(Cl)c(Cl)c1,CID854839,,,,,,,,,,0.0,,,0.0,,,,
CC(C)OCCCN(Cc1ccccn1)C(=O)Nc1cccc(Cl)c1,CID667086,0.0,0.0,,0.0,,,,,,0.0,,,,,,,
COCCCN(C(=O)Nc1ccc(C)c(C)c1)C(C)c1ccccn1,CID4232205,,,,,0.0,0.0,0.0,,,,,,,,,,
COC(=O)c1ccccc1NC(=O)NCc1ccccn1,CID978217,,0.0,0.0,0.0,,,0.0,,0.0,,,0.0,0.0,,,,
O=C(NCc1ccccn1)Nc1ccc(F)cc1,CID882129,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC(=O)N(CCC(C)C)C(C)c2ccccn2)c(OC)c1,CID3675771,,,,,0.0,0.0,,0.0,,,,,,,,,
O=C(NCc1ccccn1)Nc1ccccc1,CID853198,,,,,,,,,,,,,,0.0,,,
CN1CCN(C(=S)c2ccc(N(C)C)cc2)CC1,CID971726,,,,0.0,,,,,,,,,0.0,,,,0.0
CSc1ccc(C(=S)N2CCN(CCO)CC2)cc1,CID1301802,,,0.0,0.0,,,,,,0.0,,,,,,,
CSc1ccc(C(=S)N2CCN(C)CC2)cc1,CID1301808,,,,,,,0.0,,,,,,0.0,,,,
CCN1CCN(C(=S)c2ccc(Cl)c(Cl)c2)CC1,CID848275,,,,,,,,,0.0,,,,,,,,
CC(=O)N1CCN(C(=S)c2ccc(Cl)cc2)CC1,CID2918695,,,,,,,,,,,,,,0.0,,,
OCCN1CCN(C(=S)c2ccc(Cl)cc2)CC1,CID848268,,0.0,0.0,,,,0.0,,,,,0.0,0.0,,,,0.0
CCN1CCN(C(=S)c2ccc(SC)cc2)CC1,CID963029,,,,,,0.0,,,,,,,,,,,
CC(=O)N1CCN(C(=S)c2ccc(N(C)C)cc2)CC1,CID2919076,,,,,,0.0,0.0,,,,,,,,,,
OCCN1CCN(C(=S)c2ccc(Cl)c(Cl)c2)CC1,CID963027,,,,,,,,,,,,,,,,0.0,
COc1ccc(C(=S)N2CCN(C)CC2)cc1Br,CID804731,,,,,,,,,0.0,,,,,,,0.0,0.0
CN1CCN(C(=S)c2ccc(Cl)cc2)CC1,CID1331683,,,,,,,,,,0.0,,,,,0.0,,
COc1ccc(C(=S)N2CCNCC2)cc1,CID975144,,,,,,,,,,,,0.0,,,,,
OCCN(Cc1ccccc1)Cc1cccc(F)c1,CID783344,,,,,,,,0.0,,,,,0.0,,,0.0,0.0
OCCN(Cc1ccccc1)Cc1cccc(C(F)(F)F)c1,CID782916,,,,0.0,,,,,,,,,,,,,0.0
COc1cc(CNCc2ccc(OC)c(OC)c2OC)cc(OC)c1,CID2249651,,,,,,,,,,,,,,,,,0.0
OCCN(Cc1ccccc1)Cc1ccccc1Cl,CID783336,,,,,,,0.0,,,,,,,,,0.0,0.0
COc1ccccc1CNCc1cc(OC)c(OC)cc1OC,CID831568,,,,,,,0.0,0.0,,0.0,,,,,,,
OCCN(Cc1ccccc1)Cc1ccc(F)c(F)c1,CID757598,,,,,,,0.0,,,,,,,,,,0.0
CCN(Cc1ccccc1)Cc1c(F)cccc1F,CID870761,,,,0.0,,,,,,,,,,,,,
CN(Cc1ccccc1)Cc1c(F)cccc1F,CID870760,,,,0.0,,,,,,0.0,,,,,,,
COc1ccc(CN(C)Cc2ccccc2)c(OC)c1OC,CID1820354,,,,,,,,,,,,,,,0.0,,
COc1cccc(CNCc2ccc(SC)cc2)c1OC,CID738566,,,,,,0.0,,,,,,,,,,,
O=C(O)CCCC(=O)N(Cc1ccccc1)Cc1ccccc1,CID2173499,,,,,,0.0,,,,,,,,,,,
CC(C)CC(C(=O)O)N(Cc1ccccc1)Cc1ccccc1,CID3471489,,,,,,,,,,,,0.0,,,,,
COc1ccc(N(C(=O)C(C)C)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1,CID1242553,,,,,,,,,,,0.0,,0.0,0.0,,0.0,0.0
Cn1c(=O)n(C)c2cc(S(=O)(=O)Nc3ccccc3O)ccc21,CID1093432,,,,,,,,,0.0,,,,,,,,
Cn1c(=O)n(C)c2cc(S(=O)(=O)Nc3cc(Cl)ccc3O)ccc21,CID1093435,,,,,,,,,,,,,,,0.0,,
CCn1c(=O)n(CC)c2cc(S(=O)(=O)Nc3cc(C)cc(C)c3C#N)ccc21,CID1252054,,,,,,,,,,,0.0,,,,,,
COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C,CID1242527,,,,,,,,,,,,,,0.0,,,
CCc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1,CID889455,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)cc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1,CID2954714,0.0,,,0.0,,,,0.0,,,,0.0,,,,0.0,
CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1,CID2210444,,0.0,,0.0,,,,,0.0,,,,,0.0,,,0.0
CCn1c(=O)n(CC)c2cc(S(=O)(=O)Nc3ccccc3C)c(C)cc21,CID1248078,,0.0,,,,,0.0,0.0,,,,,,,,,
CCn1c(=O)n(CC)c2cc(S(=O)(=O)Nc3c(C)cccc3C)ccc21,CID1267680,,,,,,,,,,,0.0,,,0.0,,,
COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c1,CID1093424,,0.0,,,,,0.0,,,0.0,,,0.0,,,,
COc1cc(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc(OC)c1,CID1839433,,,,,,0.0,,,,,,,,,,,
CCOC(=O)CSc1nnc(CNC(=O)c2cc(OCC)c(OCC)c(OCC)c2)n1C,CID3244491,,,,,,,,,,,,,0.0,,,,
COC(=O)CSc1nnc(CNC(=O)c2cc(OC)c(OC)c(OC)c2)n1C,CID2159366,,,,,,0.0,0.0,,,,,,,0.0,,0.0,0.0
CCOC(=O)CSc1nnc(CNC(=O)c2cc(OC)c(OC)c(OC)c2)n1C,CID2159367,,,0.0,,,,,,,,0.0,,0.0,,,,0.0
CCOC(=O)CSc1nnc(CNC(=O)c2ccc(OC)cc2OC)n1C,CID2159423,,0.0,,,,,,,0.0,,,,0.0,,,,0.0
CCOC(=O)CSc1nnc(CNC(=O)c2ccc(OC)c(OC)c2)n1C,CID2159428,,0.0,0.0,,,,0.0,,0.0,0.0,,,,0.0,,0.0,0.0
C=CCSc1nnc(CNC(=O)c2ccccc2C)n1C(C)C,CID3512895,,,,,,,,,,,,,,0.0,,,
CCOc1cc(C(=O)NCc2nnc(SCC(=O)OC)n2C)cc(OCC)c1OCC,CID3240462,,,,,,,,,,,0.0,,,,,,
COC(=O)CSc1nnc(CNC(=O)c2ccc(OC)cc2OC)n1C,CID2159422,,,,0.0,,0.0,,0.0,,,,0.0,,,,0.0,0.0
COC(=O)CSc1nnc(CNC(=O)c2ccccc2OC)n1C,CID2159405,,,,,,,,,0.0,,,,,,,0.0,
CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2nnc(SCC(=O)OC)n2C)cc1,CID2159444,,0.0,,0.0,0.0,,,,,,,,,0.0,,0.0,0.0
COC(=O)CSc1nnc(CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n1C,CID2159442,,,,,,,,,,,,,,0.0,,,
CCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SC,CID4174169,,0.0,,,,,,0.0,,,,,0.0,,,0.0,
CCCCc1c(O)n(-c2ccccc2C)c(SCC(=O)NC(C)(C)C)nc1=O,CID1910341,,,,,,0.0,,,,,,,,,,,
CCc1c(O)n(-c2ccccc2)c(SCC(=O)NC(C)(C)C)nc1=O,CID1417861,,,,,,,,,0.0,,,,,0.0,,,
CCN(CC)C(=O)CSc1nc(=O)cc(O)n1-c1ccccc1OC,CID1379178,0.0,0.0,,0.0,,0.0,,,0.0,,,,,,,,0.0
CC(C)(C)NC(=O)CSc1nc(=O)cc(O)n1-c1ccccc1,CID779241,,,,,,,,,,0.0,,,,0.0,,,
CC(C)(C)NC(=O)CSc1nc(=O)cc(O)n1-c1ccccc1F,CID1339690,,,,,,,0.0,,,,,,,0.0,,,0.0
CCSc1nc(=O)cc(O)n1-c1ccc(OC)cc1,CID779378,,,0.0,0.0,0.0,,0.0,,,,,,,,,,
COc1ccccc1-n1c(O)cc(=O)nc1SCC(=O)NC(C)(C)C,CID659051,,0.0,,0.0,0.0,,0.0,0.0,0.0,,,,,0.0,,0.0,
CCCCc1c(O)n(-c2ccccc2)c(SCCN(C)C)nc1=O,CID660789,,0.0,,0.0,0.0,0.0,,,,,,,,,,0.0,
NC(=O)CSc1nc(=O)cc(O)n1-c1ccccc1,CID883506,,0.0,,,,,,,0.0,,,0.0,,,,,
CCc1c(O)n(-c2ccccc2F)c(SCC(N)=O)nc1=O,CID923095,,,,,,,,,,0.0,,,0.0,0.0,,,
COc1ccc(-n2c(O)cc(=O)nc2SC)cc1,CID796371,,,0.0,,0.0,0.0,,,,0.0,,,0.0,,,,
COc1ccccc1-n1c(O)cc(=O)nc1SC,CID5046162,,,0.0,,0.0,,,,,,,,,,,,
CCOC(=O)C1C(=O)CC(C)(O)C(C(=O)OCC)C1c1ccccc1OC,CID2939758,,,,,,,0.0,,,,,,,,,,0.0
CCOC(=O)C1C(=O)CC(C)(O)C(C(=O)OCC)C1c1cccc(OC)c1,CID2854559,,,,,,,,,,,,,,,,,0.0
COC(=O)C1C(=O)CC(C)(O)C(C(=O)OC)C1c1ccccc1F,CID660427,,,,,,,,,,,,,,,,,0.0
CC(C)OC(=O)C1C(=O)CC(C)(O)C(C(=O)OC(C)C)C1c1ccc(F)cc1,CID2878225,,,,,,,,,,,,0.0,,,,,
CC(C)OC(=O)C1C(=O)CC(C)(O)C(C(=O)OC(C)C)C1c1cccc(O)c1,CID3244322,,,,,,,,,,0.0,,,,,,,
CCOC(=O)C1C(=O)CC(C)(O)C(C(=O)OCC)C1c1ccc(OC)cc1,CID386761,,,,,,,,,,,,,,,0.0,,
CCOC(=O)C1C(=O)CC(C)(O)C(C(=O)OCC)C1c1ccc(OCC)cc1,CID2847400,,,0.0,,,,0.0,,,,,,,,,,0.0
CCN(CC)c1ccc(C2C(C(C)=O)C(=O)CC(C)(O)C2C(C)=O)cc1,CID2868444,,,,,,,,,,0.0,,,,,,,
C=CCOC(=O)C1C(=O)CC(C)(O)C(C(=O)OCC=C)C1c1ccc(OC)cc1,CID3245327,,,,,,,0.0,,,,,,,0.0,,,
C=CCOC(=O)C1C(=O)CC(C)(O)C(C(=O)OCC=C)C1c1ccc(OCC)cc1,CID3236670,,,,,,,0.0,,,,,0.0,,,,,
CC(=O)C1C(=O)CC(C)(O)C(C(C)=O)C1c1ccc(N(C)C)cc1,CID2835859,,,,,,,,,,,,,,,,,0.0
CCOC(=O)C1C(=O)CC(C)(O)C(C(=O)OCC)C1c1ccccc1,CID98466,,,,,,,,,,,0.0,,,,,,
CCN(CC)c1ccc(C2CC(=O)Nc3cc(OC)c(OC)cc32)cc1,CID3244513,,,,,,,,,,0.0,,,,,,,
CCOc1ccccc1C1CC(=O)Nc2cc(OC)c(OC)c(OC)c21,CID3242555,,,,,,,,,,,,,,,,0.0,
COc1ccc(OC)c(C2CC(=O)Nc3cc(OC)c(OC)c(OC)c32)c1,CID3238375,,,,,,,0.0,0.0,,,,,0.0,,,,
CCOc1cc(C2CC(=O)Nc3cc(C)c(C)cc32)ccc1O,CID645844,,,,,,,,,,,0.0,,,,,,0.0
COc1cccc(C2CC(=O)Nc3cc(OC)c(OC)c(OC)c32)c1OC,CID3240416,,,0.0,,,,0.0,0.0,,,,,,0.0,,,
COc1cc2c(cc1OC)C(c1ccc(N(C)C)cc1)CC(=O)N2,CID2964923,,,,0.0,0.0,,,0.0,,,,,0.0,,,,0.0
COC(=O)c1ccc(C2CC(=O)Nc3cc(OC)c(OC)cc32)cc1,CID2974313,,0.0,,,,,,,,,,,,,,0.0,
COC(=O)c1ccc(C2CC(=O)Nc3cc(OC)c(OC)c(OC)c32)cc1,CID2981355,,,,,,,,0.0,,,,,,,,0.0,
CCCOc1c(OC)cccc1C1CC(=O)Nc2cc(OC)c(OC)c(OC)c21,CID3237675,,,,,,,,0.0,,,,,,,,,
COc1ccc(C2CC(=O)Nc3cc(C)c(C)cc32)c(OC)c1OC,CID2898111,,,,,,,,,,,0.0,0.0,,,,,
COc1cc2c(cc1OC)C(c1cccc(OC)c1OC)CC(=O)N2,CID652225,,,,,,0.0,0.0,0.0,,,,,,,0.0,0.0,
CCOc1c(OC)cccc1C1CC(=O)Nc2cc(OC)c(OC)cc21,CID3162344,,0.0,0.0,,,,0.0,,,,,,,,,0.0,
Cc1ccc(C)c(NC(=O)c2ccccn2)c1,CID2596605,,,0.0,,,,,,,,,,0.0,,,,
CSc1ccccc1NC(=O)c1ccccn1,CID2442932,,,,,,,,,,,,,,0.0,0.0,,
CC(=O)Nc1ccc(NC(=O)c2cccc(C(=O)OC(C)C)n2)cc1,CID3235826,,,,,,,,0.0,,,,,,,,,
CCCNS(=O)(=O)c1ccc(NC(=O)c2ccccn2)cc1,CID1630803,,0.0,,,,,,,0.0,,,0.0,,,,0.0,
COC(=O)c1cccc(C(=O)Nc2ccc(C)cc2Br)n1,CID3240614,0.0,,,,,,,,0.0,,,0.0,,,,0.0,0.0
Cc1cccc(NC(=O)c2ccccn2)c1C,CID2599699,,,,,,,,,,0.0,,,,,,,
Cc1ccc(NC(=O)c2ccccn2)c(Br)c1,CID2301666,,,,,,,,,,,,,,,0.0,,
COC(=O)c1cccc(C(=O)Nc2ccc(C)cc2)n1,CID3243117,,,0.0,,,,,0.0,,,,,0.0,,,,
CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccccn2)cc1,CID701261,0.0,0.0,,0.0,,,,,0.0,0.0,0.0,,0.0,,,0.0,0.0
CCOc1cc(NC(=O)c2ccccn2)c(OCC)cc1NC(=O)CC(C)C,CID652015,,,0.0,,,,,,0.0,0.0,,,,,,,
O=C(Nc1ccccc1O)c1nc(Cl)ccc1Cl,CID589814,,,,,,,,,,,,,,0.0,,,
CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccccn2)cc1,CID701253,,,,0.0,,,,,0.0,,0.0,,,,0.0,0.0,0.0
CCCC(=O)Nc1sc2c(c1C#N)CCCCC2,CID3145237,,,,,,,,,,,0.0,,,0.0,,,
CCC(C)NC(=O)c1csc2c1CCCCC2,CID9550697,,,,,,,,,,,0.0,,,,,,
N#Cc1c(NC(=O)CCCl)sc2c1CCCCC2,CID4684569,,,,,,,,,,,,,,,0.0,,
O=C(O)Cc1cc2c(s1)CCCCC2,CID658125,,,,,,,0.0,,,0.0,0.0,,,,0.0,,
CCN(/C=N/c1sc2c(c1C#N)CCCCC2)CC,CID3656901,,,,,,0.0,,,0.0,,,,,,,,
CCOC(=O)c1c(NC(=O)CCC(=O)O)sc2c1CCCCC2,CID2862686,,,,,,,,,,,,,,,0.0,,
CC(C)CCNC(=O)c1csc2c1CCCCC2,CID16193881,,,,,,,,,,,,,,0.0,,,
CC(=O)Nc1sc2c(c1C#N)CCCCC2,CID645308,,,,,0.0,,,,,,,,,,,,
CNC(=O)c1c(N)sc2c1CCCCC2,CID2854143,,,,,,,0.0,,,,,,,0.0,,,
CCCNC(=O)c1csc2c1CCCCC2,CID6618854,,,,,,,,,,0.0,,,,,,,
CNC(=O)NC1CCCCc2sccc21,CID2832751,,0.0,0.0,,0.0,,,,,,,0.0,,,,,
NC(=O)c1c(N)sc2c1CCCCC2,CID2997881,,,,,,,,,,,,,,,,0.0,
COc1ccccc1-c1cc(C(=O)N2CCCCC2)no1,CID5308525,0.0,,0.0,0.0,,0.0,,,,,,,0.0,,,,
O=C(c1cc(-c2cccc(O)c2)on1)N1CCCCC1,CID5309106,,,0.0,,,,,,,,,,,,,,
CC1CCCCN1C(=O)c1cc(-c2ccc(Cl)c(Cl)c2)on1,CID3238671,0.0,,,,,,,,,,,,0.0,,,0.0,
CC1CCCC(C)N1C(=O)c1cc(-c2ccc(Cl)c(Cl)c2)on1,CID3241143,0.0,,,,,,,,,,,,,,,,
COc1cccc(-c2cc(C(=O)N3CCCCC3C)no2)c1,CID3241186,0.0,,,,,,,,,,,,,,,,
CCOC(=O)C1CCCN(C(=O)c2cc(-c3ccccc3)on2)C1,CID2962286,0.0,0.0,,,,,0.0,,,,,,0.0,,,,
CCOC(=O)C1CCCN(C(=O)c2cc(-c3ccc(C)cc3)on2)C1,CID2973666,0.0,,,0.0,0.0,,,,0.0,0.0,,,,,0.0,,
COc1ccc(-c2cc(C(=O)N3CCCCC3)no2)cc1OC,CID3244650,0.0,,,0.0,,,1.0,,,,,,,,,,
CCC1CCCCN1C(=O)c1cc(-c2ccc(Cl)c(Cl)c2)on1,CID3237432,0.0,,,,,,,,,,,,,,,0.0,
CC1CCN(C(=O)c2cc(-c3ccc(Cl)c(Cl)c3)on2)CC1,CID3244541,0.0,,,,,,,,,,,,,,,,
COc1cccc(-c2cc(C(=O)N3C(C)CCCC3C)no2)c1,CID3245596,,,,,,,,0.0,,,,,,,,,
O=C(c1cc(-c2ccc(Cl)c(Cl)c2)on1)N1CCCCC1,CID3240621,0.0,,,,,,,,,,,,0.0,,,,
COc1ccccc1NC(=O)CN1C(=O)NC(C)(C)C1=O,CID2225699,,0.0,,0.0,,,,0.0,0.0,,,0.0,0.0,,0.0,,
CCCC1(CCC)NC(=O)N(CC(=O)Nc2ccccc2OC)C1=O,CID2579812,0.0,,,0.0,,0.0,,0.0,0.0,,0.0,,0.0,,,,0.0
CC1(C)NC(=O)N(CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C1=O,CID2127986,,,,,,,,,0.0,,,,,,,,0.0
CN1CC(=O)N(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1=O,CID2100439,,,,,,,,,0.0,,,,,,,,0.0
Cc1cccc(NC(=O)CN2C(=O)CNC2=O)c1,CID2196344,,,,,,,,,0.0,,,,,,,,
CN1CC(=O)N(CC(=O)Nc2ccc(Br)cc2F)C1=O,CID2114251,,,,,,,,,,,,,,,0.0,,
COc1cc(NC(=O)CN2C(=O)NC(C)(CCC(C)C)C2=O)cc(OC)c1,CID2999622,,,0.0,,,,0.0,,,0.0,,,,,,,
COc1ccccc1NC(=O)CN1C(=O)NC(CC(C)C)C1=O,CID2998690,,0.0,,,,0.0,,0.0,,,,,0.0,,,,
CCCC1(CCC)NC(=O)N(CC(=O)Nc2cccc(OC)c2)C1=O,CID2089356,0.0,,0.0,,,,,,0.0,,,0.0,0.0,,,,
Cc1ccc(C)c(NC(=O)CN2C(=O)CNC2=O)c1,CID2550637,,,,,,,,,,,,0.0,,,0.0,,
COc1cc(NC(=O)CN2C(=O)NC(C)(CC(C)C)C2=O)cc(OC)c1,CID2999778,,,,0.0,,,,0.0,,,,,,,,,
O=C(CN1C(=O)CNC1=O)Nc1cccc(C(F)(F)F)c1,CID2215219,,,,0.0,,,,,0.0,,,,,,,,0.0
COc1ccc(-c2ccc(-c3noc(-c4ccc(OC)c(OC)c4)n3)c(OC)n2)cc1,CID663454,0.0,,0.0,,0.0,,,,,,,,0.0,,,,
COc1nc(-c2ccccc2)ccc1-c1noc(-c2ccccc2F)n1,CID664462,,,,,,0.0,,,,,,0.0,,,,,
COc1cccc(-c2ccc(-c3noc(-c4ccccc4F)n3)c(OC)n2)c1,CID2207970,,,0.0,,,,,0.0,,,,0.0,,,,,0.0
CCOc1nc(-c2ccc(OC)cc2)ccc1-c1noc(-c2cc(OC)c(OC)c(OC)c2)n1,CID663593,,,,,,,,0.0,,,,,,,,0.0,
COc1ccc(-c2ccc(-c3noc(-c4cccc(OC)c4)n3)c(OC)n2)cc1,CID663914,0.0,0.0,0.0,,0.0,,,,,,,,,,,0.0,
COc1ccc(-c2ccc(-c3noc(-c4ccccc4)n3)c(OC)n2)cc1,CID664083,0.0,,,,,,,0.0,,,0.0,,,,,,
CCOc1nc(-c2ccccc2)ccc1-c1noc(-c2ccc(OC)c(OC)c2)n1,CID649151,,,,,,,,,,,,,,,,,0.0
COc1ccc(-c2ccc(-c3noc(-c4ccccc4C)n3)c(OC)n2)cc1,CID664499,0.0,,0.0,0.0,,,0.0,0.0,0.0,,,,,0.0,,,
COc1nc(-c2ccccc2)ccc1-c1noc(-c2ccc(F)cc2)n1,CID664766,,,,0.0,,,0.0,,,,,,,,,,
COc1cc(-c2nc(-c3ccc(-c4ccccc4)nc3OC)no2)cc(OC)c1OC,CID650892,0.0,0.0,,,,,,,,,,,,,,,
COc1ccc(-c2ccc(-c3noc(-c4ccccc4OC)n3)c(OC)n2)cc1,CID664819,0.0,,,,0.0,,0.0,,0.0,0.0,,,,0.0,,,
COc1nc(-c2ccccc2)ccc1-c1noc(-c2ccccc2)n1,CID664623,0.0,0.0,0.0,,,,0.0,,,,0.0,,0.0,,,,0.0
O=C(c1ccccc1F)N(Cc1ccccc1)C1CCS(=O)(=O)C1,CID664102,,,,,,,0.0,0.0,,,,0.0,,,,,0.0
COc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CCS(=O)(=O)C2)cc(OC)c1OC,CID662843,,0.0,,,0.0,,,0.0,,0.0,,,,,,0.0,
COc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CCS(=O)(=O)C2)cc1,CID662417,,,,0.0,0.0,,,,,0.0,0.0,,0.0,,,0.0,0.0
O=C(c1ccc(F)cc1)N(Cc1ccccc1)C1CCS(=O)(=O)C1,CID665750,,0.0,0.0,,,,0.0,,,,,0.0,,,,,0.0
COc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CCS(=O)(=O)C2)c1,CID662566,,,0.0,,0.0,,0.0,,,0.0,,,0.0,,,0.0,0.0
CCOc1cccc(C(=O)N(Cc2ccc(F)cc2)C2CCS(=O)(=O)C2)c1,CID663470,,,,0.0,,,,,,0.0,,,,,,,
O=C(c1ccccc1F)N(Cc1ccc(F)cc1)C1CCS(=O)(=O)C1,CID664975,,,,,,,,,,,,,,,,,0.0
O=C(c1ccccc1)N(Cc1ccc(F)cc1)C1CCS(=O)(=O)C1,CID663907,,,,0.0,,,,,,,,,,,,,0.0
COc1ccc(CN(C(=O)c2ccccc2OC)C2CCS(=O)(=O)C2)cc1,CID662928,0.0,,,,,,0.0,,,,,,,,,0.0,
CCOc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CCS(=O)(=O)C2)cc1,CID663306,,,,,0.0,,,0.0,,0.0,,,,,,,0.0
C=CCOc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CCS(=O)(=O)C2)cc1,CID663028,,,0.0,,0.0,0.0,0.0,,,0.0,0.0,,,,,,
CCN(CC)c1ccc(CN(C(=O)c2cc(OC)c(OC)c(OC)c2)C2CCS(=O)(=O)C2)cc1,CID664698,,,0.0,,0.0,,,,,0.0,0.0,,,,,0.0,
COC(=O)C1C(=O)NCC1c1ccc(OC)cc1,CID2841264,,,,,,,,,,0.0,,,,,,,
COC(=O)C1C(=O)NCC1c1ccccc1,CID658845,,,,,,,0.0,,,,,,,,,,0.0
CCOC(=O)C1C(=O)NC(C)C1c1ccccc1,CID659775,,,,,,,,,,0.0,,,,,,,0.0
NC(=O)CN1CC(c2ccccc2)CC1=O,CID132441,,,,,,,,0.0,,,,0.0,,,,,
CC(C)Oc1ccc(C2CNC(=O)C2)cc1,CID3112940,,,0.0,0.0,,0.0,,,,0.0,0.0,,0.0,,,,
CC(C(N)=O)N1CC(c2ccccc2)CC1=O,CID659755,,,,0.0,,,,,,0.0,,,,,,,0.0
COC(=O)CCCNC(=O)CN1CC(c2ccccc2)CC1=O,CID657561,,,,,,,,0.0,,,,,,,,,0.0
CC(C(N)=O)N1CC(c2ccc(Cl)cc2)CC1=O,CID659699,0.0,,,,,,,,,0.0,,0.0,,,0.0,0.0,0.0
CCOC(=O)C1C(=O)NCC1c1ccccc1,CID313653,,,,,,,,,,,,,,,0.0,,
O=C1CC(c2ccccc2)C(C(=O)O)N1,CID5307343,,,,,,,,0.0,,,,,,,,,
CCN(CC)S(=O)(=O)c1ccc(C2CNC(=O)C2)cc1,CID2973461,,0.0,0.0,,,,,,,,,,0.0,,,,
COC(=O)C1C(=O)NCC1c1ccc(C)cc1,CID2841204,,,,,,,,,0.0,0.0,,,,,,,
O=S(=O)(Nc1ccc2c(c1)OCCO2)c1ccc(F)cc1,CID730268,,,,,,,,,0.0,,,0.0,,,,,
CC(=O)c1cc2c(cc1NS(=O)(=O)c1ccc(C)cc1)OCCO2,CID1263107,,,,,0.0,,,0.0,0.0,0.0,0.0,0.0,,,,0.0,0.0
Cc1cc(Cl)c(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1OCC(N)=O,CID992286,,,,,,,,,0.0,,0.0,,,,,,
Cc1cccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)c1,CID889110,,,,,,,,,,,,,,0.0,,,
COc1ccc(F)cc1S(=O)(=O)Nc1ccc2c(c1)OCCO2,CID713205,,,,,,,,,0.0,,,,,,,0.0,
COC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1,CID1251150,,,,,,,0.0,0.0,,0.0,,,,,0.0,0.0,
COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1Cl,CID1254758,,,,0.0,,,,,,0.0,,,,,,,
O=C(O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1,CID951593,,,0.0,,,,,,0.0,0.0,,,,0.0,,0.0,0.0
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1,CID736378,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1,CID732537,,,,,,,,,,,,,,0.0,0.0,,
CCOC(=O)COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1,CID1083011,,,,,0.0,,,,0.0,0.0,,,,,,0.0,
CSc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1,CID713221,,,,,0.0,,0.0,,,0.0,,,0.0,0.0,,,
COc1cc(NC(=O)CSc2nccc(=O)[nH]2)c(C)cc1[N+](=O)[O-],CID4138998,,,,,,,,,,,,,,0.0,,,
CCc1c(O)nc(SCC(=O)Nc2ccccc2C)[nH]c1=O,CID796482,,,,0.0,0.0,,,,0.0,,,,,0.0,,,
COc1ccccc1NC(=O)CSc1nccc(=O)[nH]1,CID860063,,0.0,,,,,,,,0.0,,0.0,0.0,,,0.0,0.0
CCc1c(O)nc(SCC(=O)Nc2ccccc2OC)[nH]c1=O,CID779596,,0.0,,,0.0,,0.0,,0.0,,,,,0.0,,0.0,
O=C(CSc1nccc(=O)[nH]1)Nc1ccc(F)c(Cl)c1,CID973107,,,,0.0,,,,,,,,,,,,,0.0
CC(=O)Nc1c(O)nc(SCC(=O)Nc2c(C)cccc2C)[nH]c1=O,CID1315708,,,,,,,,,,0.0,0.0,,,,,,
CCC(C)c1c(O)nc(SCC(=O)Nc2ccccc2)[nH]c1=O,CID2843983,,,,,,,,,0.0,,,,,,,,
O=C(CSc1nccc(=O)[nH]1)Nc1ccc(F)c([N+](=O)[O-])c1,CID2360417,,,,,,,,,,,,,,0.0,,,
CC(=O)Nc1c(O)nc(SCC(=O)Nc2cccc(C)c2)[nH]c1=O,CID804161,,,,,,,,,,0.0,,,,,,,
COc1ccccc1NC(=O)CSc1nc(O)cc(=O)[nH]1,CID650041,,0.0,,,,,0.0,,0.0,,,,,,,0.0,
CC(=O)Nc1c(O)nc(SCC(=O)Nc2ccc(C(C)=O)cc2)[nH]c1=O,CID2231145,,0.0,,,,,,,,,,0.0,,,,,0.0
O=C(CSc1nccc(=O)[nH]1)Nc1ccc(Br)c(Cl)c1,CID2238183,,,,,,,,,0.0,,,,,,,0.0,
Cc1cccc(NC(=O)CSc2nc3ccccc3o2)c1,CID742356,,,,,,,,,,,,0.0,,0.0,,,
Cc1ccccc1NC(=O)CSc1nc2ccccc2o1,CID742355,,,,,,,,,,,,0.0,,0.0,,,
CCS(=O)(=O)c1ccc2oc(SCC(=O)Nc3ccc(OC)cc3OC)nc2c1,CID2382201,,,,,,,,,,,,,,,0.0,,
CSc1cccc(NC(=O)CSc2nc3ccccc3o2)c1,CID708756,,0.0,0.0,,0.0,0.0,,,,0.0,,,,0.0,,,
CC(=O)Nc1ccc(NC(=O)CSc2nc3ccccc3o2)cc1,CID708737,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1ccccc1NC(=O)CSc1nc2ccccc2o1,CID2620947,0.0,,,0.0,,,0.0,,0.0,,0.0,,,,0.0,,
CN(C)S(=O)(=O)c1ccc2oc(SCC(=O)Nc3ccccc3F)nc2c1,CID2560785,,,,,,,,,,,,,,0.0,,,
O=C(CSc1nc2ccccc2o1)Nc1ccc(Cl)cc1,CID2305047,,,,,,,,,,,,,,,0.0,,
O=C(CSc1nc2ccccc2o1)Nc1ccccc1,CID687333,0.0,0.0,,0.0,0.0,,0.0,,,,,0.0,,,,,0.0
CC(=O)Nc1cccc(NC(=O)CSc2nc3ccccc3o2)c1,CID714645,,,,,,,,,,,,,,0.0,,,
COc1cc(Cl)c(C)cc1NC(=O)CSc1nc2ccccc2o1,CID2620923,0.0,0.0,0.0,0.0,0.0,,,,,,,0.0,0.0,,,,
CCS(=O)(=O)c1ccc2oc(SCC(=O)Nc3ccc(OC)cc3)nc2c1,CID2369682,,,,,,,,,,,,,,0.0,,,
CCOC(=O)Cc1nc2ccccc2n(CC#N)c1=O,CID5181996,,,,,,,,,,,,,,,0.0,,
CCOC(=O)CCc1nc2ccccc2[nH]c1=O,CID599710,,,,,,,,0.0,,,,,,,,0.0,
CC(C)OC(=O)CCc1nc2ccccc2[nH]c1=O,CID787516,,,0.0,,,,,,,0.0,,0.0,0.0,,0.0,,
COC(=O)CCc1nc2ccccc2[nH]c1=O,CID787513,,0.0,,,,,,,,,,,,,,0.0,
COC(=O)Cn1c(=O)cnc2ccccc21,CID649866,,,0.0,,,0.0,,0.0,,,0.0,,0.0,,,,
CCn1c(=O)c(C(C)=O)nc2ccccc21,CID665186,,,,,,,0.0,,,,,,,,,,
COC(=O)Cn1c(=O)c(C)nc2ccccc21,CID1508965,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C(C)c1nc2ccccc2[nH]c1=O,CID599428,,,0.0,,,,,,,,,,,,,,
O=c1[nH]c2ccccc2nc1C(F)(F)C(F)F,CID2833809,,,,0.0,,,0.0,,,,,,,,,,
COC(=O)CSCc1nc2ccccc2[nH]c1=O,CID6324535,,,0.0,,,,,,,,,,,,,,
CCCCn1c(=O)c(CC(C)=O)nc2ccccc21,CID1736396,,,,,,,,,,,,,,,0.0,,
CC(C)(C)OC(=O)Cn1c(=O)cnc2ccccc21,CID2572996,,,,,,0.0,,,,,0.0,,,,,,
CC(=O)Nc1ccc2nc(C)n(Cc3ccc(Cl)cc3)c(=O)c2c1,CID1456564,,,,,,,,,,0.0,,,,,,,
Cc1ccccc1Cn1cnc2ccccc2c1=O,CID678577,,,,,,,,,,,,,,0.0,0.0,,
C=CCSc1nc2ccccc2c(=O)n1Cc1ccccc1,CID1815495,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1ccc(Cn2cnc3ccccc3c2=O)cc1,CID977664,,,0.0,,,,,,,,0.0,,0.0,,0.0,,0.0
CCOC(=O)CCNC(=O)Nc1ccc2nc(C)n(Cc3cccc(Cl)c3)c(=O)c2c1,CID653112,0.0,,,,,,0.0,,,,,,,,,,
CCOC(=O)CCNC(=O)Nc1ccc2nc(C)n(Cc3ccccc3Cl)c(=O)c2c1,CID648850,,,0.0,,,,,,,0.0,0.0,,,,,,
CCC(=O)Nc1ccc2nc(C)n(Cc3ccccc3Cl)c(=O)c2c1,CID1174008,,,,,,,,,,0.0,,,,,,,
O=c1c2ccccc2ncn1Cc1ccc(Cl)cc1,CID677888,,,,,,,,,,,,,,0.0,,,
COCCNC(=O)CSc1nc2cc(OC)c(OC)cc2c(=O)n1Cc1ccc(OC)cc1,CID3238040,,,0.0,,0.0,,0.0,,0.0,0.0,0.0,,,,,,
CCOC(=O)CCNC(=O)Nc1ccc2nc(C)n(Cc3ccc(Cl)cc3)c(=O)c2c1,CID654894,0.0,,,,,0.0,0.0,,,,,,,,,0.0,
COC(=O)c1ccc(Cn2cnc3ccccc3c2=O)cc1,CID644885,,,,,,,0.0,,,,,,,0.0,,,
Cc1nc2ccc(N)cc2c(=O)n1Cc1ccc(Cl)cc1,CID651767,0.0,,0.0,,,,,,,,,0.0,,,,0.0,0.0
CCOCCCNC(=O)C(NC(=O)c1cnccn1)c1ccc(OC)cc1,CID3235906,,,,,,,,,0.0,,,,0.0,,,,
Cc1ccc(CNC(=O)c2cnccn2)cc1,CID897112,,,,,,,,,,,,,,,0.0,,
Cc1cnc(C(=O)NCc2ccc(Cl)cc2Cl)cn1,CID2397007,,,,,,,,,,,,,,0.0,,,
COc1ccccc1CNC(=O)c1cnccn1,CID1247096,,,,,,,,,,,,0.0,,,,,
COc1ccc(CNC(=O)c2cnccn2)cc1,CID470910,,,,,,,,,0.0,,,0.0,,,,,
O=C(NCc1ccc(Cl)cc1)c1cnccn1,CID898495,,,,,,0.0,,,,0.0,,,,,,,
COc1ccc(CNC(=O)c2cnc(C)cn2)c(OC)c1,CID653853,,,,0.0,,,,,0.0,,,,,,,,0.0
COc1ccc(CNC(=O)c2cnc(C)cn2)cc1,CID2531496,,,,,,,,,,,,0.0,,,0.0,,
CCOCCCNC(=O)C(NC(=O)c1cnccn1)c1ccc(C)cc1,CID3979329,,,,,,,,,,0.0,0.0,0.0,,,,,
O=C(NCc1cccc(Cl)c1)c1cnccn1,CID1244211,,,,0.0,,,0.0,,,,0.0,,,,0.0,0.0,0.0
CCCc1ccc(C(C)NC(=O)c2cnccn2)cc1,CID3245347,,0.0,,,,,0.0,,,,,0.0,,,,,0.0
O=C(NCc1ccccc1Cl)c1cnccn1,CID5042461,,,,,,0.0,,,,,,,,,,,
COc1ccc(OC)c(-n2nnnc2SCC(=O)Nc2nc(C)c(C)s2)c1,CID645265,,0.0,,0.0,,,0.0,,0.0,,,0.0,,,,0.0,0.0
CCOC(=O)Cc1csc(NC(=O)CSc2nnnn2-c2ccc(CC)cc2)n1,CID649753,0.0,0.0,0.0,,,,0.0,,,,,,,,,0.0,0.0
CCOC(=O)c1sc(NC(=O)CSc2nnnn2-c2ccc(C)cc2C)nc1C,CID647192,,,,,,0.0,0.0,,,,,,,,,0.0,0.0
CCOC(=O)Cc1csc(NC(=O)CSc2nnnn2-c2ccc(F)cc2)n1,CID645205,,0.0,,,0.0,0.0,,,,,,,,,,,
COC(=O)c1sc(NC(=O)CSc2nnnn2-c2ccc(C)cc2C)nc1C,CID656243,,0.0,,0.0,,0.0,0.0,,,0.0,,0.0,,,,0.0,
CCOC(=O)c1csc(NC(=O)CSc2nnnn2-c2ccc(OC)cc2)n1,CID652258,,0.0,,0.0,,0.0,0.0,,,,,0.0,,,,0.0,0.0
CCOC(=O)c1csc(NC(=O)CSc2nnnn2-c2ccc(OCC)cc2)n1,CID646280,,,,0.0,,,,,,,,,,,,,
CCOC(=O)c1csc(NC(=O)CSc2nnnn2-c2cccc(OC)c2)n1,CID3189438,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1sc(NC(=O)CSc2nnnn2-c2ccccc2)nc1C,CID2171196,,0.0,,0.0,,,0.0,,0.0,,,0.0,0.0,,,0.0,0.0
CCOC(=O)c1sc(NC(=O)CSc2nnnn2-c2ccc(C)c(C)c2)nc1C,CID648502,,0.0,0.0,,,,0.0,,,,,,,,,0.0,0.0
CCOC(=O)Cc1csc(NC(=O)CSc2nnnn2-c2ccc(C)cc2C)n1,CID3195163,,,,,,,,,,,,0.0,,,,,
CCOC(=O)Cc1csc(NC(=O)CSc2nnnn2-c2ccc(C)c(C)c2)n1,CID3195168,,,,,,,,,,,,0.0,,,,,
CCOc1ccc(S(=O)(=O)Nc2nc3cc(OC)ccc3s2)cc1,CID2363877,,,,,,0.0,,,,,,0.0,,,0.0,,
CCOc1ccc2nc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)sc2c1,CID655616,0.0,,,,0.0,,0.0,,,0.0,0.0,,,0.0,,,
COc1ccc2nc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)sc2c1,CID650448,0.0,,,,0.0,,0.0,,,,0.0,,,0.0,,,
Cc1ccc(S(=O)(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1,CID655483,,,,,0.0,,,,0.0,,,,,,,,
COc1ccc(S(=O)(=O)Nc2nc3ccccc3s2)cc1OC,CID4060704,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(S(=O)(=O)Nc2nc3ccc(OC)cc3s2)cc1,CID2166701,,,,,,,,,,,,,,0.0,0.0,,
CCOc1ccc2sc(NS(=O)(=O)c3ccc(OC)c(OC)c3)nc2c1,CID2212156,,,,,0.0,,0.0,0.0,0.0,0.0,0.0,,,,,,
CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3ccccc3s2)cc1,CID541218,,,,,,,,,0.0,0.0,0.0,,,,,,
CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1,CID1928152,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)Nc2nc3ccccc3s2)cc1,CID403571,,,,,,0.0,,,,0.0,,,,0.0,,,
CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3ccc(C)cc3s2)cc1,CID459119,,,,,,0.0,,,,0.0,0.0,,,,,,
COc1ccc(S(=O)(=O)Nc2nc3ccccc3s2)cc1,CID711108,,,,,,,,,0.0,,,0.0,,0.0,,,
CCOc1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NC(C)CC)c(=O)c3c2)cc1,CID3244819,,,0.0,,0.0,,,0.0,,,,,,,,,
COc1cccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCCC(C)C)c(=O)c3c2)c1,CID3242830,,,,,0.0,,,,,,0.0,,0.0,,,0.0,
CCN(CC)C(=O)c1c[nH]c2ccc(S(=O)(=O)Nc3cc(C)cc(C)c3)cc2c1=O,CID3245541,,,0.0,,,,,0.0,,,0.0,,,,,,
CCOc1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)N(CC)CC)c(=O)c3c2)cc1,CID3236487,,,,,,,0.0,0.0,0.0,0.0,,,,,,0.0,
CCCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)Nc3ccc(OCC)cc3)cc2c1=O,CID3235803,,,,,0.0,,,,0.0,,0.0,0.0,0.0,,,0.0,
CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2[nH]cc(C(=O)O)c(=O)c2c1,CID3244500,,,,,,,,,,,,,,,,0.0,
CCOc1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCCOC)c(=O)c3c2)cc1,CID3243447,,,,,0.0,,0.0,,0.0,,,,,,0.0,0.0,
CCN(c1ccccc1)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCCOC)c(=O)c2c1,CID3243422,,,,,0.0,,,0.0,1.0,,,0.0,,,,,
COCCN(CCOC)C(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)c3ccc(F)cc3)cc2c1=O,CID3244775,,,,,,,0.0,,,,,,,0.0,,,
COc1cccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCCCOC(C)C)c(=O)c3c2)c1,CID3238410,,,,0.0,0.0,,,,0.0,,,,0.0,,,,
CCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)c3ccc(OCC)cc3)cc2c1=O,CID3241453,,,0.0,,0.0,,,,0.0,0.0,0.0,,0.0,,,,0.0
CCOCCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)Nc3cccc(OC)c3)cc2c1=O,CID3239829,,,0.0,,0.0,,,,,0.0,,,,,,0.0,
Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C(N)=O)CC2)c2cccc(C(F)(F)F)c2)cc1,CID1076450,0.0,,,,0.0,,0.0,,,,,,,,,,
CCOC(=O)C1CCN(C(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccccc2)CC1,CID2929286,,,0.0,,0.0,,,,,,0.0,,,,,,0.0
Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C)CC2)c2ccccc2)cc1,CID1142876,,,,,,,,,,,,,,,0.0,,
CCOC(=O)C1CCN(C(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2)CC1,CID2928975,,,,,0.0,0.0,,0.0,,,0.0,,0.0,,,0.0,
COc1ccc(OC)c(N(CC(=O)N2CCC(C)CC2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1,CID2947794,,,,,,,,,,0.0,,,,,,,
COc1ccc(OC)c(N(CC(=O)N2CCCCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1,CID982506,,,,,,,,,,,0.0,0.0,,,,,
CCOC(=O)C1CCN(C(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)CC1,CID1076406,,,,,0.0,,,0.0,,0.0,0.0,,0.0,,,0.0,
NC(=O)C1CCN(C(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)CC1,CID1076413,,,,,0.0,,,,,0.0,,,,,,,0.0
COc1ccc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2ccccc2)c(OC)c1,CID656021,,,,,0.0,,,,,0.0,,,,,,0.0,
Cc1cc(C)cc(N(CC(=O)N2CCC(C)CC2)S(=O)(=O)c2ccccc2)c1,CID1003697,,,,,,,,,,0.0,,,,,,,
COc1ccccc1N(CC(=O)N1CCCCC1)S(=O)(=O)c1ccccc1,CID651524,0.0,,,,0.0,,0.0,,,,0.0,,,,,,0.0
Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCCC2)c2cccc(C)c2)cc1,CID999779,,,,,,,,,,,0.0,,,,,,
CCOC(=O)c1ccccc1NC(=O)c1c(O)n(CC)c2ccccc2c1=O,CID644518,0.0,,,0.0,,,,,0.0,,,0.0,0.0,,,,
CCOC(=O)c1ccc(NC(=O)c2c(O)n(C)c3ccccc3c2=O)cc1,CID650966,,,0.0,,,,,,,,,,0.0,,,,
CCCn1c(O)c(C(=O)Nc2ccccc2)c(=O)c2ccccc21,CID3092995,,,,,,,,,,,,0.0,,,,,
CCCCn1c(O)c(C(=O)Nc2ccccc2S(N)(=O)=O)c(=O)c2ccccc21,CID1830937,,,0.0,,0.0,,,0.0,,0.0,,,,,,,
CCC(C)n1c(O)c(C(=O)Nc2ccccc2S(N)(=O)=O)c(=O)c2ccccc21,CID658087,,,,,0.0,,,0.0,,,,,,,,,
CCCn1c(O)c(C(=O)Nc2ccccc2C(=O)OCC)c(=O)c2ccccc21,CID657784,0.0,,0.0,,,,,,0.0,,0.0,,,,0.0,,
CC(C)Cn1c(O)c(C(=O)Nc2ccccc2S(N)(=O)=O)c(=O)c2ccccc21,CID1370032,,,,0.0,0.0,,,,,,,,,,,,
CCCn1c(O)c(C(=O)Nc2ccccc2C(=O)OC)c(=O)c2ccccc21,CID659483,0.0,0.0,,,,,,0.0,0.0,,,,,,,0.0,
C=CCn1c(O)c(C(=O)Nc2ccccc2OC)c(=O)c2ccccc21,CID1098651,0.0,,,,,,0.0,,0.0,,0.0,,,,,,0.0
C=CCn1c(O)c(C(=O)Nc2ccccc2O)c(=O)c2ccccc21,CID655662,0.0,,,0.0,0.0,0.0,0.0,,,,,,,,,0.0,
CCn1c(O)c(C(=O)Nc2ccccc2C)c(=O)c2ccccc21,CID680634,,,,,,,,,0.0,,,0.0,,,,,
C=CCn1c(O)c(C(=O)Nc2ccccc2C(=O)OCC)c(=O)c2ccccc21,CID645958,0.0,,,,,,,,0.0,,0.0,0.0,,,,,
CCOC(=O)c1ccccc1NC(=O)CC1S/C(=N/C)N(C)C1=O,CID655159,,0.0,0.0,,0.0,,,,0.0,,0.0,,,,,,
CCCCOc1ccccc1NC(=O)CC1S/C(=N/CC)N(CC)C1=O,CID2936205,,,,,,,,0.0,,,,,,,,,
C/N=C1/SC(CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N1C,CID2997628,,0.0,,,,,,,,,,0.0,,,,,
CC/N=C1/SC(CC(=O)Nc2ccc(C(F)(F)F)cc2)C(=O)N1CC,CID3245042,0.0,0.0,,,0.0,,,,,,,,,,,,
C/N=C1\SC(CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)N1C,CID2939431,,,,,0.0,,,,0.0,,,,,,,,0.0
CCOC(=O)c1ccc(NC(=O)CC2S/C(=N/C)N(C)C2=O)cc1,CID647269,,0.0,,,0.0,,,,0.0,,,,,0.0,,0.0,
C/N=C1\SC(CC(=O)Nc2cc(Cl)ccc2Cl)C(=O)N1C,CID2936587,,,,,,,0.0,,,,,,,,,,
CC/N=C1/SC(CC(=O)Nc2ccc(C)cc2)C(=O)N1CC,CID2998598,,,,0.0,0.0,,,0.0,,,,,0.0,,,,0.0
C/N=C1/SC(CC(=O)Nc2ccc(C(=O)O)cc2)C(=O)N1C,CID3127421,,,,,,,,,0.0,,,0.0,,,,,
CC/N=C1/SC(CC(=O)Nc2ccccc2OCC)C(=O)N1CC,CID2939918,,,,0.0,0.0,,0.0,,,,0.0,,,,,,
C/N=C1/SC(CC(=O)Nc2ccccc2F)C(=O)N1C,CID3441571,,,,,,,,,,,,,,,0.0,0.0,
CC/N=C1/SC(CC(=O)Nc2ccccc2)C(=O)N1CC,CID2998505,,,,0.0,0.0,,,0.0,,,,,0.0,,,0.0,
COc1cccc(NC(=O)COC(=O)c2ccco2)c1,CID2335980,,,,,0.0,,0.0,,,0.0,,,,,,,
COc1ccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])o2)cc1Cl,CID2117140,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])o1,CID2120658,,,,,,,,,,,,,,,0.0,,
O=C(COC(=O)c1ccco1)Nc1ccc(Br)cc1,CID2335271,,,,,,,,,0.0,,0.0,0.0,,,,,0.0
COc1ccc(NC(=O)COC(=O)c2ccc(Br)o2)cc1OC,CID2429730,0.0,,,,,,,,,,,,,,,,0.0
O=C(COC(=O)c1ccco1)Nc1cccc(Br)c1,CID2335737,,,,,,,,,,,0.0,,,,0.0,,0.0
Cc1cccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])o2)c1C,CID2353262,,,,,,,,,,,,,,,0.0,,
CCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccc(Br)o2)cc1,CID2434657,,,,,,,,,0.0,,,,,,,,
COC(=O)c1ccccc1NC(=O)COC(=O)c1ccco1,CID648810,,,0.0,,0.0,,,,,,,,,,0.0,0.0,
Cc1cccc(C)c1NC(=O)COC(=O)c1ccco1,CID2335925,,,,,,,,,0.0,0.0,,,,0.0,,,
O=C(COC(=O)c1ccco1)Nc1ccccc1,CID2352919,,0.0,,0.0,,,0.0,,0.0,,,,0.0,0.0,0.0,0.0,
Cc1cccc(C)c1NC(=O)COC(=O)c1ccc([N+](=O)[O-])o1,CID2380164,,,,,,,,,,,,,,,0.0,,
Cc1ccnc(SCCn2c(N3CCC(C)CC3)nc3c2c(=O)[nH]c(=O)n3C)n1,CID4657558,,0.0,,,0.0,,,,,,,,0.0,,,0.0,
Cc1ccnc(SCCn2c(N3CCCCC3)nc3c2c(=O)n(C)c(=O)n3C)n1,CID666547,,,,,0.0,,0.0,,,,0.0,,,,0.0,0.0,
Cc1ccnc(SCCn2c(N3CCCCC3)nc3c2c(=O)[nH]c(=O)n3C)n1,CID5070178,,0.0,,,0.0,,,,,,,,0.0,,,,
CC1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CCSc2ncccn2)CC1,CID4124189,,,,,0.0,,,,,,,,,,,0.0,
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCC1)n2CCSc1ncccn1,CID1091991,,0.0,,0.0,0.0,,,,,,0.0,,0.0,,,,
CC1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCSc2ncccn2)CC1,CID1091994,,,0.0,0.0,0.0,,,,,0.0,,,,,,0.0,
Cc1ccnc(SCCn2c(N3CCC(C)CC3)nc3c2c(=O)n(C)c(=O)n3C)n1,CID667322,,,,,0.0,,,,,,0.0,,,,,0.0,
CC1CC(C)CN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CCSc2ncccn2)C1,CID3520029,,0.0,,,0.0,,,,,,,,,,,0.0,
Cc1ccnc(SCCn2c(N3CC(C)CC(C)C3)nc3c2c(=O)n(C)c(=O)n3C)n1,CID666648,,,0.0,,0.0,,,,,0.0,0.0,,,,,,
Cc1cc(C)nc(SCCn2c(N3CCC(C)CC3)nc3c2c(=O)n(C)c(=O)n3C)n1,CID654790,,0.0,,,0.0,,,,,,,,,,,,
Cc1cc(C)nc(SCCn2c(N3CCCCC3)nc3c2c(=O)n(C)c(=O)n3C)n1,CID652832,,,,,0.0,,,,,,,,,,,,
CC1CCCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCSc2ncccn2)C1,CID4608256,,,,,0.0,,,,,,,,,,,,
Cc1cccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)c1C,CID5310293,,,0.0,,,,0.0,0.0,,0.0,,,,,,,
COc1ccc(OC)c(NC(=O)Cn2cnc3c(cnn3-c3ccccc3)c2=O)c1,CID5310360,,0.0,,,,,,,,,,,0.0,,,,
CCOc1ccccc1NC(=O)Cn1cnc2c(cnn2-c2ccc(C)c(C)c2)c1=O,CID3236282,0.0,,,,,0.0,0.0,,,,,0.0,,,,,0.0
CCOC(=O)c1ccccc1NC(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O,CID3243713,,0.0,,,,,,0.0,,,,,,,,,
CCOC(=O)c1ccccc1NC(=O)Cn1cnc2c(cnn2-c2ccc(OC)cc2)c1=O,CID647961,0.0,,0.0,,,,0.0,,,,,,,,,,
Cc1ccc(-n2ncc3c(=O)n(CC(=O)Nc4cccc(Cl)c4)cnc32)cc1C,CID3238700,0.0,0.0,0.0,,,0.0,,,,,0.0,,,,,,
COC(=O)c1ccccc1NC(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O,CID650943,0.0,0.0,,0.0,,,,0.0,,,0.0,0.0,0.0,,,,
COc1ccccc1NC(=O)Cn1cnc2c(cnn2-c2ccc(C)c(C)c2)c1=O,CID3244973,,0.0,,,,,,0.0,,,,,0.0,,,,
COC(=O)c1ccccc1NC(=O)Cn1cnc2c(cnn2-c2ccc(C)c(C)c2)c1=O,CID1433573,,,,,,,,,,,,0.0,,,,,
COc1ccccc1NC(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O,CID655913,0.0,,0.0,0.0,,,0.0,,,,0.0,0.0,,,,,
COc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(C)c(C)c3)c2=O)c(OC)c1,CID3235609,0.0,,,,,,,,,,0.0,0.0,,,,,
CCOC(=O)c1ccccc1NC(=O)Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O,CID3242320,,,,0.0,,,,,,,,,,,,,
CC(C)c1ccc(NC(=O)C2CC(=O)N(C(C)C)C2)cc1,CID2951809,,,0.0,,0.0,,,,,0.0,,,0.0,,,0.0,0.0
CCOc1ccc(NC(=O)C2CC(=O)N(C(C)C)C2)cc1,CID655329,,,,,,,0.0,0.0,,0.0,,,0.0,,,,0.0
CCc1ccc(NC(=O)C2CC(=O)N(C(C)C)C2)cc1,CID647475,,,,0.0,0.0,,,0.0,0.0,0.0,,,,,,,0.0
CC(=O)c1ccc(NC(=O)C2CC(=O)N(C(C)C)C2)cc1,CID2967046,,,,,,,,,,,,,,,0.0,,
CC(C)N1CC(C(=O)Nc2ccccc2)CC1=O,CID3156984,,,,,,,,,,0.0,,,,,,,
C=CCOc1ccc(NC(=O)C2CC(=O)N(C(C)C)C2)cc1,CID647236,,,,,,,0.0,0.0,,0.0,,0.0,0.0,,,,
Cc1ccc(C)c(NC(=O)C2CC(=O)N(C(C)C)C2)c1,CID651651,,,,,0.0,,,,,0.0,,,,,,,
Cc1cccc(C)c1NC(=O)C1CC(=O)N(C(C)C)C1,CID652475,,,0.0,,0.0,,,,,,,,,,,,
COc1ccc(NC(=O)C2CC(=O)N(C(C)C)C2)cc1,CID2922194,,,,0.0,,,,0.0,,0.0,,,,,,0.0,
CC(C)N1CC(C(=O)Nc2ccc(Br)c(Cl)c2)CC1=O,CID2952136,0.0,,,,,,,,,,,,,,,0.0,
CCOc1cccc(NC(=O)C2CC(=O)N(C)C2)c1,CID2961566,,,,,,,,,,,,,0.0,,,,
CCCOc1ccc(NC(=O)C2CC(=O)N(C(C)C)C2)cc1,CID648239,,,,,0.0,0.0,,0.0,,0.0,,,0.0,,,,
COc1ccccc1-c1nn2c(C(F)(F)F)nnc2s1,CID666676,0.0,0.0,,,0.0,,,,,,,0.0,,,,,0.0
CCC(=O)Nc1ccc(-c2nn3c(C)nnc3s2)cc1,CID974878,,0.0,,0.0,0.0,,,0.0,,0.0,0.0,,,,,0.0,
CCCCC(=O)Nc1cccc(-c2nn3c(C)nnc3s2)c1,CID2212689,,0.0,0.0,,0.0,,,0.0,,,0.0,,,,,0.0,0.0
Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)C(C)C,CID953619,,0.0,,,0.0,,,,,,0.0,,,,,,
Cc1cc(-c2nn3c(C)nnc3s2)ccc1NC(=O)C(C)(C)C,CID653100,,,0.0,,0.0,,0.0,0.0,,,0.0,,,,,,
COc1ccc(-c2nn3cnnc3s2)cc1OC,CID667080,,0.0,0.0,,,,,,,,,,0.0,,,,
CCC(=O)Nc1cc(-c2nn3c(C)nnc3s2)ccc1C,CID648070,,0.0,,,0.0,,,,,,0.0,,,,,0.0,
Cc1ccc(-c2nn3c(C)nnc3s2)cc1N,CID953656,,0.0,,,,,0.0,,,0.0,,,0.0,,,,
CCC(=O)Nc1ccc(-c2nn3c(C)nnc3s2)cc1C,CID653846,,0.0,,,0.0,,,0.0,,0.0,,,,,,0.0,
CCOc1cc(-c2nn3cnnc3s2)cc(OCC)c1OCC,CID666065,,,,,,,0.0,,,0.0,0.0,,0.0,,,0.0,
CC(=O)Nc1ccc(-c2nn3c(C)nnc3s2)cc1C,CID644563,,0.0,,0.0,0.0,,,0.0,,,,,0.0,,,,
CC(=O)Nc1cc(-c2nn3c(C)nnc3s2)ccc1C,CID953023,,0.0,,0.0,0.0,,,0.0,,0.0,,,0.0,,,0.0,
COc1cccc(NC(=O)N2CCOCC2)c1,CID853774,,0.0,,0.0,,,0.0,,0.0,,,,,,,0.0,
O=C(Nc1ccccc1)N1CCOCC1,CID341876,,,,,,0.0,,,,,,0.0,,,,,
COC(=O)c1ccc(NC(=O)N2CCOCC2)cc1,CID645276,,,,,,,,,,,0.0,,,,0.0,,
CSc1ccc(NC(=O)N2CC(C)OC(C)C2)cc1,CID3239041,,,0.0,,,,,,,,,,,,,,
CN(C)c1ccc(NC(=O)N2CCOCC2)cc1,CID669699,,,,,,,,,0.0,,,0.0,,,,,
COc1ccc(NC(=O)N2CC(C)OC(C)C2)cc1OC,CID2955868,,,,,,,,,,0.0,,,0.0,0.0,,0.0,
CN(C)C(=O)Oc1cccc(NC(=O)N2CCOCC2)c1,CID2928780,,,,,,,,,0.0,,,,,,,,
O=C(Nc1ccc(F)cc1)N1CCOCC1,CID100827,,,0.0,,,,,0.0,,,,,,,,,
CCOC(=O)c1ccc(NC(=O)N2CC(C)OC(C)C2)cc1,CID327470,,0.0,0.0,,0.0,,0.0,0.0,,,,,,,,,0.0
COc1ccc(NC(=O)N2CCOCC2)cc1OC,CID299417,,,,,,,,,0.0,0.0,,,,,,,
Cc1ccc(NC(=O)N2CCOCC2)c(C)c1,CID2306921,,,,,,,,,,0.0,,0.0,,,,,
COc1cc(NC(=O)N2CCOCC2)cc(OC)c1,CID655891,,,,,,,,0.0,0.0,,,0.0,,,,,
CCc1cc2c(CN3CCN(C)CC3)cc(=O)oc2cc1O,CID5390005,,,,,,,,0.0,,,,,,,,,
CCc1cc2c(CN3CCN(CCO)CC3)cc(=O)oc2cc1O,CID5390004,,0.0,,,,,,,,,,,,,,,
CCc1ccc2oc(=O)cc(CN3CCN(CCO)CC3)c2c1,CID665913,0.0,0.0,,0.0,,,0.0,,,,,,0.0,,,,
CCN1CCN(Cc2cc(=O)oc3ccc(Cl)cc23)CC1,CID666392,0.0,,0.0,0.0,,,,0.0,0.0,0.0,,,,,,0.0,0.0
Cc1cc(C)c2c(CN3CCN(C)CC3)cc(=O)oc2c1,CID667121,,,,,0.0,,,0.0,,,,,0.0,,,,0.0
Cc1ccc2c(CN3CCN(CCO)CC3)cc(=O)oc2c1C,CID2027474,,,,,,,,,,,0.0,,,,,,
CCc1cc2c(CN3CCN(CC)CC3)cc(=O)oc2cc1O,CID5390081,,,,,,,,0.0,,,,,,,,,
Cc1cc(C)c2c(CN3CCN(CCO)CC3)cc(=O)oc2c1,CID666863,0.0,0.0,,,,,0.0,,,,,,,,,,
CN1CCN(Cc2cc(=O)oc3ccc(Cl)cc23)CC1,CID666900,0.0,0.0,,,,0.0,,0.0,,0.0,,,,0.0,,0.0,0.0
Cc1ccc2c(CN3CCN(CCO)CC3)cc(=O)oc2c1,CID666792,0.0,,,,,,,,0.0,,,,0.0,,,,
CCN1CCN(Cc2cc(=O)oc3cc(C)cc(C)c23)CC1,CID667242,,,,0.0,0.0,,,,,0.0,,,,,,,
CCOC(=O)N1CCN(Cc2cc(=O)oc3ccc(Cl)cc23)CC1,CID667281,0.0,0.0,,,,,,,,,,,,,,0.0,
CCOC(=O)Cc1csc(NC(=O)c2ccc(Br)o2)n1,CID1299164,,,,,,,,,0.0,,0.0,,,0.0,,,
Cc1csc(NC(=O)c2ccc(C)o2)n1,CID2933352,,,,,,,,,,,,,,,0.0,,
CCOC(=O)Cc1csc(NC(=O)c2ccc(C)o2)n1,CID1247274,,,,,,,0.0,,,,,,,,,0.0,
C=CCOC(=O)c1sc(NC(=O)c2ccco2)nc1C,CID2138175,,,,0.0,,,,,,,,,0.0,,,0.0,
Cc1cnc(NC(=O)c2ccco2)s1,CID770997,,,,,0.0,0.0,,,,,,,0.0,,,,
CCOC(=O)c1sc(NC(=O)c2ccco2)nc1C,CID673694,,,,0.0,,,0.0,0.0,,,,,,,,0.0,
CCOC(=O)c1sc(NC(=O)c2ccc(C)o2)nc1C,CID868243,,,0.0,0.0,,,,,,,,,0.0,,,,
Cc1csc(NC(=O)c2ccco2)n1,CID786020,,,,,0.0,0.0,,,,,,,0.0,,,,
O=C(Nc1nccs1)c1ccc(Br)o1,CID839812,,,,,,,,,0.0,,,,,,,,
CCOC(=O)Cc1csc(NC(=O)c2ccco2)n1,CID674924,,,0.0,,,,0.0,,,,,,,,,,
Cc1nc(NC(=O)c2ccc(Br)o2)sc1C,CID843094,,,,,,,,,0.0,,,,,0.0,,,
COC1=CC(=O)/C(=C2\NNC=C2Oc2ccccc2OC)C=C1,CID5389712,,0.0,0.0,0.0,,,,,,,,,,,,,
CCOC1=CC(=O)/C(=C2\NNC=C2Oc2ccccc2OCC)C=C1,CID5389791,,,,,,,0.0,0.0,,,,,,,,,
C=C(C)COC1=CC(=O)/C(=C2/NNC=C2Oc2ccccc2OCC)C=C1,CID5389880,,,,,,,0.0,0.0,,,,,,,,,
CCOc1ccccc1OC1=CNN/C1=C1\C=CC(OC)=CC1=O,CID5389886,,0.0,,,,,,0.0,,,,,0.0,,,,
CCCOC(=O)c1ccc(OC2=CNN/C2=C2\C=CC(OC)=CC2=O)cc1,CID5389843,,,,0.0,,,,,,,,,,,,,
CCOC1=CC(=O)/C(=C2\NNC(C)=C2Oc2ccc(OC)cc2)C=C1,CID5389910,,,,,,,,,0.0,0.0,,,,,,,
CCOC1=CC(=O)/C(=C2\NNC(C)=C2Oc2ccccc2OC)C=C1,CID5389758,,,,,,,,0.0,,,,,,,,,
CCOC1=CC(=O)/C(=C2\NNC=C2Oc2ccccc2OC)C=C1,CID5389838,,,0.0,0.0,,,,,,,,,,,,,
C=C(C)COC1=CC(=O)/C(=C2/NNC=C2Oc2cccc(OC)c2)C=C1,CID5389839,,,,,,,,0.0,,,,,,,,,
CCCOC(=O)c1ccc(OC2=CNN/C2=C2\C=CC(OCC)=CC2=O)cc1,CID5389723,,,,,,,,0.0,,,0.0,,,,,,0.0
COC1=CC(=O)/C(=C2/NNC=C2Oc2cccc(OC)c2)C=C1,CID5389726,,,,,,0.0,,,,,,,0.0,,,,
Cc1ccc(-c2ccc(CCC(=O)O)n2-c2ccc(O)cc2)cc1,CID707529,,,,,,,,,,,,0.0,,,,,
COc1ccc(C)cc1-n1c(N)c(C#N)c(C#N)c1-c1ccc(OC)c(OC)c1OC,CID2389306,0.0,,,,,,,0.0,,,,0.0,,,,,0.0
Cc1ccc(-c2ccc(CCC(=O)O)n2-c2cccc(O)c2)cc1,CID778235,,,,,,,,,,,,0.0,,,,,
N#Cc1c(C#N)c(-c2ccccc2)n(-c2ccccc2)c1N,CID387738,,,,,,0.0,,,,,,0.0,,,,,
Cc1ccc(-c2ccccc2)n1-c1ccccc1C(=O)O,CID213328,,,,,,0.0,,,,,,,,,,,
N#Cc1c(C#N)c(-c2ccccc2)n(-c2ccc(C(=O)O)cc2)c1N,CID660267,,0.0,,,,0.0,,0.0,,0.0,,0.0,,0.0,,,
CC(=O)c1ccc(-n2c(C)ccc2-c2ccccc2)cc1,CID846102,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)O)cc1,CID213331,,,,,,,,,,,,,,,0.0,,
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN)cc1,CID213332,,,,,,0.0,,,,,,,,,,,
COc1ccc(-n2c(CCC(=O)O)ccc2-c2ccccc2)cc1,CID708056,,,,,,,,,,,,,,,0.0,,
Cc1ccc(-c2ccccc2)n1-c1ccc(O)cc1,CID3029922,,,,,,0.0,,,,,,,,,,,
CCOc1ccccc1NC(=O)NCc1cccnc1,CID971230,,,,,,,,,,,,,,,0.0,,
CC(=O)c1cccc(NC(=O)NCc2cccnc2)c1,CID972077,,,,,,,,,,,,0.0,0.0,,0.0,,
N#CCCN(Cc1cccnc1)C(=O)Nc1ccc(Cl)c(Cl)c1,CID2282452,,,0.0,,,,,,0.0,,,,,,0.0,,
O=C(NCc1cccnc1)Nc1ccc(F)cc1F,CID970259,,,0.0,0.0,,,,,,,,,,,,,
N#CCCN(Cc1cccnc1)C(=O)Nc1ccccc1,CID1925508,,,,,,,,,,,,0.0,,0.0,,,
COCCN(C(=O)Nc1ccccc1)C(C)c1cccnc1,CID4576987,,,,,0.0,,0.0,,0.0,,,,,,,0.0,
COC(=O)c1ccccc1NC(=O)NCc1cccnc1,CID970862,,0.0,0.0,,,,,,0.0,,,,,,0.0,,
CCc1ccc(NC(=O)N(CCN(C)C)C(C)c2cccnc2)cc1,CID4402150,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC(=O)NCc2cccnc2)cc1OC,CID970621,0.0,0.0,,0.0,,,0.0,,0.0,,,0.0,,,,,
N#CCCN(Cc1cccnc1)C(=O)Nc1cccc(Cl)c1,CID1856556,0.0,,,,,,0.0,,0.0,,,,0.0,,0.0,,0.0
CC(c1cccnc1)N(CCN(C)C)C(=O)Nc1ccc(Cl)c(Cl)c1,CID3387581,0.0,,,,,,,,,,,,0.0,,,,
CCOC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1,CID757135,,0.0,,,,,,,0.0,,,0.0,,,,0.0,0.0
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)NC(C)(C(F)(F)F)C(F)(F)F)cc2)no1,CID1243008,,,,,,,,,0.0,,,,,,,,
Cc1cc(NS(=O)(=O)c2ccc(CC(C)C)cc2)no1,CID756351,,,,,,,,,0.0,,,0.0,,0.0,,,
COc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1OC,CID650343,,,0.0,0.0,,,,,0.0,,,0.0,0.0,,0.0,,
Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1,CID5329,,,,0.0,,,,,,,,,,,,,
Cc1cc(NS(=O)(=O)c2ccccc2)no1,CID747064,,,,,,,,,,,,0.0,,,,,
CCOC(=O)C(NC(C)=O)(Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1)C(F)(F)F,CID536731,,,,,,,,,,0.0,,,,,,,
Cc1cc(NS(=O)(=O)c2ccc(OCCNS(C)(=O)=O)cc2)no1,CID2231243,,,,,0.0,,,,,,,,,,,,
CCCCc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1,CID562945,,,,,,,0.0,,0.0,,,,,0.0,,,0.0
CCCC(=O)NC(Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1)(C(=O)OCC)C(F)(F)F,CID389113,0.0,,,,0.0,,,,,0.0,,,,,,,
CCOC(=O)C(NC(=O)CC)(Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1)C(F)(F)F,CID3236233,0.0,,,,0.0,,,,,,,,0.0,,,,
CNC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCC(C)CC2)c1,CID3237637,,0.0,0.0,,0.0,,,0.0,0.0,,0.0,,0.0,,,,0.0
Cc1ccc(O)c(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1,CID1262336,0.0,,,0.0,0.0,,0.0,0.0,,,,,,,,,
Cc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1S(=O)(=O)N1CCCCC1,CID1355806,,,,,,0.0,,0.0,,,,,0.0,,,0.0,
O=C(Nc1ccccc1)c1cccc(S(=O)(=O)N2CCCCC2)c1,CID558837,,,,,,0.0,,,0.0,0.0,,,,,,,
CCNC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCC(C)CC2)c1,CID3241862,,,,,0.0,,,0.0,,,,,,,,,0.0
O=C(Nc1ccccc1Cl)c1cc(S(=O)(=O)N2CCCC(C(=O)O)C2)ccc1F,CID3236268,,,,,,,,,,,,,0.0,,,,
O=C(Nc1cccc(O)c1)c1ccc(Br)c(S(=O)(=O)N2CCCCC2)c1,CID1127070,0.0,,,,,,0.0,,0.0,,,,,,,,0.0
CNC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1,CID1293529,,,,0.0,0.0,,,0.0,0.0,,0.0,,0.0,,0.0,,0.0
O=C(O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1,CID3242230,,,,,,0.0,0.0,,,,0.0,,,,,,
O=C(Nc1cccc(F)c1)c1cc(S(=O)(=O)N2CCC(C(=O)O)CC2)ccc1F,CID3239550,,,,,0.0,,,,,0.0,,,,,,,
CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(F)c(C(=O)Nc3ccc(F)c(F)c3)c2)C1,CID9551043,,,,,,,,,,0.0,,,,0.0,,,
CCOc1ccc(N2C(=O)CC(Sc3nccc(C)n3)C2=O)cc1,CID2950608,0.0,0.0,,,,,,0.0,,,,,,,,,0.0
COc1ccccc1N1C(=O)CC(Sc2nccc(C)n2)C1=O,CID2890602,,,0.0,0.0,,,,0.0,,,,,0.0,,,,
CCOc1ccc(N2C(=O)CC(Sc3nc(C)cc(C)n3)C2=O)cc1,CID2918713,,0.0,,,,,,,,,0.0,,,,0.0,,
CCOc1ccc(N2C(=O)CC(Sc3ncccn3)C2=O)cc1,CID2905689,0.0,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1cnc(SC2CC(=O)N(c3ccccc3)C2=O)nc1N,CID2936580,,,,,,0.0,,,,,,,,,,,
COc1ccccc1N1C(=O)CC(Sc2nc(C)cc(C)n2)C1=O,CID3148623,,,,,,,0.0,,,,,,0.0,,,,
CCOC(=O)c1cnc(SC2CC(=O)N(c3ccc(OC)c(OC)c3)C2=O)nc1N,CID2936794,,0.0,,,0.0,,,,0.0,,0.0,,,0.0,,,0.0
COc1ccc(N2C(=O)CC(Sc3nccc(C)n3)C2=O)cc1,CID2885975,,0.0,,0.0,,,0.0,0.0,,,,,0.0,,,,
O=C1CC(Sc2ncccn2)C(=O)N1c1ccccc1C(F)(F)F,CID2950432,0.0,0.0,,,,,,,,,,,,,,,
COC(=O)c1cc(C(=O)OC)cc(N2C(=O)CC(Sc3nc(C)cc(C)n3)C2=O)c1,CID2945720,,,,0.0,,,,0.0,,,,,,,,,0.0
CCOC(=O)c1cnc(SC2CC(=O)N(c3cccc(OC)c3)C2=O)nc1N,CID661595,,,,,0.0,,,,,,,,,0.0,,,
COc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cccc4cccnc34)C2)cc1OC,CID5308310,,,,,,,,0.0,,,,,,,,,
CC(=O)c1cccc(NC(=O)C2CCCN(S(=O)(=O)c3cccc4cccnc34)C2)c1,CID5308766,,,,,,,,,,,0.0,,,,,,
Cc1cccc(NC(=O)C2CCCN(S(=O)(=O)c3cccc4cccnc34)C2)c1,CID5308305,,,,,,,,0.0,,,,,,,,,
COc1ccc(OC)c(NC(=O)C2CCCN(S(=O)(=O)c3cccc4cccnc34)C2)c1,CID5309659,,,,,,0.0,,0.0,,,,,,,,,
CCOc1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1,CID5307921,,0.0,,,,,,,,,,,0.0,,,,0.0
O=C(Nc1ccc(F)cc1)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1,CID5308502,,,,,,,0.0,,,,,,,,,,
COc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cccc4cccnc34)C2)cc1,CID4620047,,,,,0.0,0.0,0.0,0.0,,,,,,,,,0.0
COc1cccc(NC(=O)C2CCCN(S(=O)(=O)c3cccc4cccnc34)C2)c1,CID5307253,,0.0,,,,,,0.0,,,,,,,,,
O=C(Nc1ccccc1F)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1,CID5307620,,,,0.0,,,,,0.0,,,,,,,,0.0
COc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cccc4cccnc34)C2)c(OC)c1,CID5307767,,0.0,,,,,,,,0.0,0.0,,,0.0,,0.0,
Cc1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1,CID5309629,,,0.0,,,,,,,,0.0,,,,,,
Cc1ccc(C(C)C)c(OCC(=O)Nc2ccccc2N2CCN(C)CC2)c1,CID2224095,0.0,,0.0,,,,,,,0.0,,0.0,0.0,,,,0.0
CC(=O)N1CCN(c2ccccc2NC(=O)COc2cc(C)ccc2C(C)C)CC1,CID1259540,0.0,,,,0.0,,,0.0,0.0,0.0,,0.0,0.0,,,,0.0
CCC(=O)N1CCN(c2ccccc2NC(=O)COc2cccc(C)c2)CC1,CID2944357,,,0.0,,,,0.0,0.0,,0.0,,0.0,0.0,,,,0.0
CC(=O)N1CCN(c2ccccc2NC(=O)COc2ccc(Br)cc2)CC1,CID2983410,,,,,,,,,0.0,,,,,,,,
CN1CCN(c2ccccc2NC(=O)COc2ccc(Br)cc2)CC1,CID1263245,,,,,,,,,0.0,,0.0,,,,,,
CN1CCN(c2ccccc2NC(=O)COc2ccccc2)CC1,CID1253482,,,,,,,,,0.0,,0.0,0.0,,,,,
CCC(=O)N1CCN(c2ccccc2NC(=O)COc2cc(C)ccc2C(C)C)CC1,CID2944268,0.0,,0.0,,0.0,,,0.0,,,,0.0,0.0,,,,
CCC(=O)N1CCN(c2ccccc2NC(=O)COc2ccccc2Cl)CC1,CID2944012,0.0,,,0.0,,,,,,,,,,,,0.0,0.0
COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)COc2ccc(OC)cc2)c1,CID666521,,,,0.0,,,,0.0,,,0.0,,,,,0.0,
CC(=O)N1CCN(c2ccccc2NC(=O)COc2ccc(Cl)cc2Cl)CC1,CID2978828,0.0,,,,,,,,,,,,,,0.0,,
Cc1cccc(OCC(=O)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)c1C,CID646990,0.0,,,0.0,0.0,,,,0.0,,,,0.0,,,,0.0
CC(C)NC(=O)C1(c2ccccc2)CCOCC1,CID972737,,,,,,,,,0.0,,0.0,,,,,,
CCN(CC)C(=O)CC1(c2ccccc2OC)CCOC(C(C)C)C1,CID3758231,,,,,,,,,0.0,0.0,,,,,,,
Cc1ccc(C2(CC(=O)O)CCOC(C)(C)C2)cc1,CID2877791,,,,,,,,,0.0,,,,,,,,
COc1ccc(C2(C(=O)NCCCN(C)C)CCOCC2)cc1,CID1800010,,,,,,,,,,,,0.0,0.0,,,,0.0
COc1ccc(C2(CNC(C)=O)CCOCC2)cc1OC,CID753989,,,,,,0.0,0.0,,,0.0,,,0.0,,0.0,0.0,0.0
COc1ccccc1C1(CC(=O)O)CCOC(C)(C)C1,CID2870929,,,,,,,,0.0,,,,,,,,,
CC1(C)CC(CC(=O)O)(c2ccccc2)CCO1,CID2877764,,,,0.0,,,,,0.0,,,,,,,,
CCOC(=O)CC1(c2ccccc2)CCOC(C)(C)C1,CID2865029,,,,,,,,,0.0,,0.0,,,0.0,,,
CCC1(C)CC(CC(=O)O)(c2ccccc2OC)CCO1,CID2880256,,,,,,,,,,,,,0.0,,,,
NC(=O)C1(c2ccccc2)CCOCC1,CID2236132,,,,0.0,,,0.0,0.0,,,,,,,,,
COc1ccccc1C1(CC(=O)O)CCOC(C(C)C)C1,CID2965341,,,,,,,0.0,0.0,,,,,,,,0.0,
COc1ccccc1N(CC(=O)NCc1ccccc1)S(C)(=O)=O,CID3240097,,,,,,,,,0.0,,,,,,,0.0,
COc1ccc(CNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1,CID1310886,,,,,,,,,,,,,,0.0,,,
CN(C)S(=O)(=O)N(CC(=O)NCc1ccccc1)c1ccccc1,CID2217778,,0.0,,,,,,0.0,0.0,,0.0,,,,,0.0,
COc1ccccc1CNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O,CID1315190,,,,,,,,,,,,,,0.0,,,
COc1cc(OC)c(NC(C)C(=O)NCc2ccccc2)cc1Cl,CID4880305,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(N(CC(=O)NCc2ccccc2)S(C)(=O)=O)cc1,CID1106295,,,,0.0,,,0.0,,0.0,,,,,,,,
CCOc1ccccc1N(CC(=O)NCc1ccc(OC)cc1)S(C)(=O)=O,CID655342,,,0.0,0.0,,,,0.0,,,,,,,,0.0,
COc1ccc(N(CC(=O)N(C)Cc2ccccc2)S(C)(=O)=O)c(OC)c1,CID1102412,,,,,,0.0,,,,,,,,,,,
Cc1ccc(CNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1,CID1322742,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(N(CC(=O)NCc2ccccc2OC)S(C)(=O)=O)cc1,CID654680,,,,0.0,,,,0.0,,,,,,,,0.0,
COc1ccc(CNC(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)cc1,CID645309,,,,,,,,,,,,,,,,0.0,0.0
Cc1cc(C)nc(N(C#N)Cc2ccccc2Cl)n1,CID893480,0.0,,0.0,,,,,,,,,,,,,0.0,
CCCCOc1cc(C)nc(NCc2ccccc2)n1,CID659995,0.0,,,,,0.0,0.0,,,,,0.0,,0.0,0.0,,
Cc1cc(OC(C)C)nc(NCc2ccccc2)n1,CID949350,,,,,,0.0,,,,0.0,,,,,0.0,,
COc1cc(C)nc(NCc2ccccc2)n1,CID721062,,,,,,,0.0,,,,,0.0,,,,,
Cc1ccc(CN(C#N)c2nc(C)cc(C)n2)cc1,CID893657,,,,,,,,,,,0.0,0.0,,,0.0,,
Cc1cc(C(F)(F)F)nc(NCc2ccc(F)cc2)n1,CID3242161,,,,,,,,,0.0,,,,,,,,0.0
Cc1cc(C)nc(N(C#N)Cc2ccc(Br)cc2)n1,CID893782,,,,,,,,,0.0,,,0.0,,,0.0,0.0,0.0
CCOc1cc(C)nc(NCc2ccccc2)n1,CID932157,,,,,,0.0,,,,,,0.0,,,,,
Cc1cc(C)nc(N(C#N)Cc2ccccc2)n1,CID766332,,0.0,0.0,0.0,,,,,,,,0.0,,,,,
CCCCNc1cc(C)nc(NCc2ccccc2)n1,CID659917,,0.0,0.0,0.0,,0.0,,,,,,0.0,,,,0.0,
CCOC(=O)c1cnc(NCc2ccccc2)nc1C,CID667203,,0.0,0.0,,,,,0.0,,,,,,,0.0,,
CCc1nnc(NC(=O)Nc2ccccc2OC)s1,CID881043,,,0.0,0.0,,,,,,,0.0,0.0,,,,0.0,
CCc1nnc(NC(=O)Nc2ccc(OC)cc2)s1,CID3238317,,0.0,,,,,,,,,0.0,0.0,,,,0.0,
Cc1nnc(NC(=O)Nc2cccc(Cl)c2)s1,CID648710,0.0,0.0,,,,,0.0,,,,,,,,,,0.0
CCOC(=O)Cc1nnc(NC(=O)Nc2ccccc2)s1,CID646833,,0.0,0.0,0.0,,,,,0.0,0.0,,,0.0,,,0.0,
CCCc1nnc(NC(=O)Nc2ccccc2OC)s1,CID660302,,0.0,,,,,,,,0.0,,,,,,,
CCOc1ccc(NC(=O)Nc2nnc(CC)s2)cc1,CID881180,,,,,,,,,,0.0,,,,,,,
O=C(Nc1ccccc1)Nc1nncs1,CID100304,,,,0.0,,,,0.0,,,,,,,,,
CCCSc1nnc(NC(=O)Nc2ccccc2)s1,CID660808,0.0,,,0.0,0.0,,,,0.0,0.0,,,0.0,,,,
COc1ccc(NC(=O)Nc2nnc(C(C)C)s2)cc1,CID659530,,0.0,,,,,,,,,0.0,,0.0,,,,
COc1ccccc1NC(=O)Nc1nnc(C(C)C)s1,CID660721,,,,,,,,,,0.0,,,,,,,
CCCSc1nnc(NC(=O)Nc2ccc(F)cc2)s1,CID660229,0.0,,,0.0,0.0,,,,,,,,,,,,
CCCCC1CC1C(=O)Nc1ccc(OC)c(OC)c1,CID658956,,,,,,,,0.0,,,0.0,,,,,,0.0
CCOC(=O)c1ccc(NC(=O)C2CC2)cc1,CID310173,,,,,,,0.0,,0.0,0.0,,,0.0,,,0.0,
COC(=O)c1ccc(C(=O)OC)c(NC(=O)C2CC2)c1,CID844166,,,,,,,,,,,,,,0.0,0.0,,
O=C(O)C1CC1C(=O)Nc1cc(F)ccc1F,CID3827524,,,,,,,,,,,,,,,0.0,,
CC1(C)CC1C(=O)Nc1ccc([N+](=O)[O-])cc1Br,CID2827255,,,,,,,,,,,,,,,0.0,,
CCOC(=O)Nc1cc(OCC)c(NC(=O)C2CC2)cc1OCC,CID644975,0.0,,,,,,0.0,,0.0,,,0.0,,0.0,,0.0,
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CC1,CID897716,,,,,,,,,,,,,,0.0,,,
COc1cc(NC(=O)C2CC2C)c(C(=O)O)cc1OC,CID5005979,,,,,,,,,,,,,,,0.0,,
COc1cc(NC(=O)C2CC2)c(C(=O)O)cc1OC,CID804602,,,0.0,,,,,,0.0,,,0.0,,,,0.0,
COC(=O)c1cc(NC(=O)C2CC2)cc(C(=O)OC)c1,CID895975,,,,,,,,,,,,,,0.0,,0.0,
CCC(C)c1ccc(NC(=O)C2CC2)cc1,CID2886949,,,0.0,,,,0.0,,0.0,0.0,0.0,,0.0,,,0.0,
CCC(=O)Nc1ccc(NC(=S)NC(=O)/C=C/c2ccccc2)cc1,CID1362561,,,,,,,,,,,,,,0.0,,,
Cc1cccc(C)c1NC(=S)NC(=O)/C=C/c1ccccc1,CID5348724,,,,,,0.0,,,,,,,,,,,
Cc1cc(C)c(NC(=S)NC(=O)/C=C/c2ccccc2)c([N+](=O)[O-])c1,CID5337645,,,,,,0.0,,,,,,,,,,,
COc1ccc(OC)c(NC(=S)NC(=O)/C=C/c2ccccc2)c1,CID874904,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(NC(=S)NC(=O)/C=C/c2ccc(C)cc2)c([N+](=O)[O-])c1,CID5340559,,,,,,0.0,,,,,,,,,,,
COc1ccc(/C=C/C(=O)NC(=S)Nc2ccccc2O)cc1,CID871824,,,,,,0.0,,,,,,,,,,,
CC(=O)c1ccc(NC(=S)NC(=O)/C=C/c2ccccc2)cc1,CID786688,,,,,,0.0,,,,,,,,,,,
Cc1ccccc1NC(=S)NC(=O)/C=C/c1ccccc1,CID786684,,,,,,0.0,,,,,,,,,,,
COc1ccc(/C=C/C(=O)NC(=S)Nc2ccccc2C)cc1OC,CID1380292,,,,,,0.0,,,,,,,,,,,
CC(=O)Nc1ccc(NC(=S)NC(=O)/C=C/c2ccccc2)cc1,CID969029,,,,,,0.0,,,,,,,,,,,
COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)/C=C/c1ccccc1,CID5348681,,,,,,0.0,,,,,,,,,,,
COc1ccc(-c2cn3cccnc3n2)cc1Br,CID696188,,,,,,,,,,,,,,,0.0,,
c1ccc(-c2cn3cccnc3n2)cc1,CID204149,,,,,,,,0.0,,,,,0.0,,,0.0,
Brc1ccc(-c2cn3cccnc3n2)cc1,CID3236423,0.0,,,,,,,,,,,0.0,,,,0.0,0.0
COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)CC(C)C,CID3244709,,,,,,0.0,,,,,,,,,,0.0,
CCOCC(=O)Nc1ccc(-c2cn3cccnc3n2)cc1,CID3240480,,0.0,,,,0.0,,,,,,,,,0.0,0.0,
CC(=O)Nc1ccc(-c2cn3cccnc3n2)cc1,CID3244105,,,0.0,,,,,,,,,,,,,0.0,
CC(=O)Nc1c(-c2ccccc2)nc2ncccn12,CID3336951,,0.0,,,,,,,,,,,,,,,0.0
CCCC(=O)Nc1cccc(-c2cn3cccnc3n2)c1,CID6485153,,,,,,,,,,,,,,,0.0,,
CCCC(=O)Nc1cc(-c2cn3cccnc3n2)ccc1OC,CID3245971,,0.0,,,,,,,,,,,0.0,,,,
CCOCC(=O)Nc1cc(-c2cn3cccnc3n2)ccc1C,CID3237391,,,,,,,,0.0,,,,0.0,,,,0.0,
Clc1ccc(-c2cn3cccnc3n2)cc1Cl,CID706510,,,,,,,,,0.0,,,,,,,,
COc1cc(S(=O)(=O)NCc2ccc3c(c2)OCO3)ccc1Cl,CID1159999,,,,,,,,,,0.0,,,,,,,
COc1cc(C)c(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1C,CID802935,,,,,,,0.0,0.0,,,,,,,,,
CCOc1cc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c(C)cc1C,CID1288666,,,,,,,0.0,,,,,,,,0.0,,
CCOc1cc(S(=O)(=O)NCc2ccc3c(c2)OCO3)ccc1F,CID2235579,,,,,,,,0.0,,,,,,,,,
COc1cc(C)c(Cl)c(C)c1S(=O)(=O)NCc1ccc2c(c1)OCO2,CID1288488,,,0.0,0.0,,,,,,,0.0,,0.0,,,,
COc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1C(=O)O,CID1158037,,,,0.0,0.0,,,0.0,0.0,,,,0.0,,,0.0,
CCOc1cc(C)c(Cl)cc1S(=O)(=O)NCc1ccc2c(c1)OCO2,CID1256340,0.0,0.0,,0.0,,,,,,,0.0,,0.0,,,,0.0
CC(=O)NCCc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1,CID1075604,,,0.0,0.0,0.0,,,0.0,0.0,,,0.0,,,,0.0,
CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1,CID733023,,,,,,,,,0.0,,,0.0,,0.0,,,
COc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1C,CID778415,,,,,,,,,0.0,,,,,0.0,,,
COc1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1,CID890073,,,,,,,,,0.0,,,,,0.0,,,
CCN(CC)S(=O)(=O)c1cccc(C(=O)c2c(C)cc3ccccn23)c1,CID2309224,,,,,,,,,,,,,,0.0,,,
Cc1cc2ccccn2c1C(=O)c1ccc(S(=O)(=O)N(C)C)cc1,CID5144040,,,,,,,,,,,,,,,0.0,,
Cc1cc2ccccn2c1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1,CID2322046,,,,,,,,,,,,,,,0.0,,
Cc1cc2ccccn2c1C(=O)c1cccc([N+](=O)[O-])c1,CID2449575,,,,,,,,,,,,,,,0.0,,
CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c(N)cccn2c1C(=O)c1ccccc1,CID1254512,,,,,,0.0,,,,,,,,,,,
Cc1cc2ccccn2c1C(=O)c1ccc(Cl)cc1,CID2322056,,,,,,,,,,0.0,,,,0.0,,,
Cc1c(C=O)c2ccccn2c1C(=O)c1ccccc1,CID2060443,,,,,,,,,0.0,,,,,,,,
CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c(N)cccn2c1C(=O)c1ccc(Br)cc1,CID1050635,,,,,,,,,0.0,,,,,,,,
CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2ccc(C(N)=O)cn2c1C(=O)c1ccc(OC)cc1,CID1722949,,,,,,,,,,,,,,,0.0,,
Cc1c(C=O)c2ccccn2c1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1,CID2348966,,,,,,,,,,,,,,0.0,,,
CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c(N)cccn2c1C(=O)c1ccc(F)cc1,CID658569,,,,,0.0,,,,,,0.0,,,,,,
O=S(=O)(/N=C(/Nc1ccccc1F)c1ccccc1)c1ccccc1,CID5557638,,,,,,0.0,,,,,,,,,,,
O=C(O)c1ccc(N/C(=N/S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)cc1,CID6156703,,,,,,0.0,,,,,,,,,,,
COc1ccccc1N/C(=N/S(=O)(=O)c1ccccc1)c1ccccc1,CID5655976,,,,,,0.0,,,,,,,,,,,
COc1ccc(N/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)cc1,CID5565915,,,,,,0.0,,,,,,,,,,,
O=S(=O)(/N=C(\Nc1ccccc1)c1ccccc1)c1ccccc1,CID6343968,,,,,,0.0,,,,,,,,,,,
O=[N+]([O-])c1ccc(N/C(=N/S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)cc1,CID6376283,,,,,,0.0,,,,,,,,,,,
CC(=O)c1ccc(N/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)cc1,CID5645324,,,,,,0.0,,,,,,,,,,,
Cc1ccc(S(=O)(=O)/N=C(/Nc2cccc([N+](=O)[O-])c2)c2ccccc2)cc1,CID5941427,,,,,,0.0,,,,,,,,,,,
Cc1ccc(S(=O)(=O)/N=C(/Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1,CID6374985,,,,,,0.0,,,,,,,,,,,
O=[N+]([O-])c1ccccc1N/C(=N/S(=O)(=O)c1ccccc1)c1ccccc1,CID5926021,,,,,,0.0,,,,,,,,,,,
O=S(=O)(/N=C(/Nc1cccc(O)c1)c1ccccc1)c1ccc(Cl)cc1,CID6145428,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(-n2ccnc2SCC(=O)Nc2nnc(C)s2)cc1,CID3236772,,0.0,,,0.0,0.0,0.0,,0.0,0.0,,,,,,,
CCSc1nnc(NC(=O)CSc2nccn2-c2cc(C)cc(C)c2)s1,CID3238664,,,,,0.0,,,,0.0,0.0,,0.0,,,,,
CCSc1nnc(NC(=O)CSc2nccn2-c2cccc(C)c2C)s1,CID3240104,,,0.0,,0.0,,,,0.0,,,,,,,,
CCc1nnc(NC(=O)CSc2nccn2-c2cc(C)cc(C)c2)s1,CID4130558,0.0,0.0,,,0.0,0.0,,,,,,,,,,,
CCSc1nnc(NC(=O)CSc2nccn2-c2cccc(C)c2)s1,CID3236954,,,,,0.0,,,,0.0,,,,,,,,
CCOc1ccc(-n2ccnc2SCC(=O)Nc2nnc(CC)s2)cc1,CID3237485,0.0,,,,0.0,0.0,0.0,,0.0,0.0,,,,,,0.0,
CCc1nnc(NC(=O)CSc2nccn2-c2cccc(C)c2C)s1,CID4151821,0.0,,,,0.0,,,,,,,,0.0,,,,
CCc1nnc(NC(=O)CSc2nccn2-c2ccccc2)s1,CID3240758,0.0,0.0,,,0.0,,,,0.0,0.0,,,,,,,
Cc1cccc(-n2ccnc2SCC(=O)Nc2nnc(C)s2)c1,CID4132225,0.0,0.0,,,0.0,,,,,,,,,,,,
CCc1nnc(NC(=O)CSc2nccn2-c2cccc(C)c2)s1,CID4132226,0.0,0.0,,,0.0,0.0,,,,,,,,,,,
Cc1nnc(NC(=O)CSc2nccn2-c2cccc(C)c2C)s1,CID3430741,0.0,,0.0,,0.0,0.0,,,,,,,0.0,,,,
CC(C)NC(=S)NC1(C)CCS(=O)(=O)C1,CID3958868,,,,,,,,,,,,,,,0.0,,
CCCCNC(=O)OC1CCS(=O)(=O)C1,CID657977,,,,,,,,,,,,,0.0,,,,
CCCCOC(=O)NC1CCS(=O)(=O)C1,CID3091616,,,,,,,,,,0.0,,,,,,,
CCCCCCCCS(=O)C1CCS(=O)(=O)C1,CID3713404,,,,,,,,,,,0.0,,,0.0,,,
CCCCCCS(=O)C1CS(=O)(=O)CC1S(=O)CCCCCC,CID657958,,,,,0.0,,,,,,,,,,,,
O=C(O)/C=C/C(=O)NC1CCS(=O)(=O)C1,CID5862066,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C(C(=O)OCC)C1CCS(=O)(=O)C1,CID290012,,,,,,,,,0.0,0.0,,0.0,,,,,
CCCCNC1CCS(=O)(=O)C1,CID2831159,,,,,,,,,,,0.0,,,,,,
CCOC(=O)NC1CCS(=O)(=O)C1,CID647038,,,,,,,,,,,,0.0,,,,,
CCN(CC)S(=O)(=O)C1CCS(=O)(=O)C1,CID2802499,,,,,0.0,,,,,,,,,0.0,,,
O=S1(=O)CC(O)C(NCCCO)C1,CID653668,,,,,,,,,,,,0.0,,,,,
O=C(CCNc1ccc(F)c(Cl)c1)c1ccco1,CID726058,0.0,0.0,,,,,,,,,,,,,,,0.0
Cc1ccc(C(=O)CCNc2ccccc2)o1,CID877291,,,0.0,0.0,,,0.0,,0.0,0.0,,,0.0,,,0.0,
Cc1ccc(C(=O)CCNc2ccc(Br)cc2)o1,CID580106,,,,,,,,,,,0.0,0.0,,,,,
O=C(CCNc1cccc(C(F)(F)F)c1)c1ccco1,CID778135,,,,,,,,,,,,,,,,,0.0
O=C(CCNc1ccc(F)cc1)c1ccco1,CID969605,,,0.0,,,,,,,,,,,,,,
Cc1ccc(C(=O)CCNc2ccc(C)c(Cl)c2)o1,CID786881,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C(=O)CCNc2ccc(F)c(Cl)c2)o1,CID882719,,,,0.0,,,,,,,,,,,,,
O=C(CCNc1cccc(Cl)c1)c1ccco1,CID804612,,,,0.0,,,,,,0.0,,,,0.0,,,0.0
O=C(CCNc1ccc(Cl)c(C(F)(F)F)c1)c1ccco1,CID875402,,,,,,,,,,,,,,,,,0.0
Cc1ccc(C(=O)CCNc2ccc(Cl)cc2)o1,CID760941,,,,,,,,,,0.0,,,,,,,
Cc1ccc(C(=O)CCNc2cccc(Br)c2)o1,CID2223113,0.0,,,,,,,,,,,0.0,,,0.0,0.0,
COc1ccc(C(=O)CSc2n[nH]c(N)n2)cc1,CID732064,,,,,,,,,,,,0.0,,,,,
Cc1nc(SCC(=O)c2ccc(F)cc2)n[nH]1,CID715305,,0.0,,,,,,,,0.0,,,,,,0.0,
Cc1nc(SCC(=O)c2cccc([N+](=O)[O-])c2)n[nH]1,CID693012,,,,,,,,,,,,0.0,,,,,
CCc1ccc(C(=O)CSc2n[nH]c(C)n2)cc1,CID2905654,,0.0,,0.0,,0.0,,0.0,,0.0,,,,,0.0,0.0,
Cc1ccc(C)c(C(=O)CSc2n[nH]c(C(C)C)n2)c1,CID2096720,,0.0,,,0.0,,0.0,,,0.0,,,,,,,0.0
COc1ccccc1C(=O)CSc1n[nH]c(N)n1,CID2339907,,,,,,,,,,,,0.0,,,,,
Cc1ccc(C)c(C(=O)CSc2n[nH]c(C)n2)c1,CID735665,,0.0,,,,0.0,,,,0.0,,,0.0,,,0.0,0.0
Cc1nc(SCC(=O)c2ccccc2)n[nH]1,CID656037,,,0.0,0.0,,0.0,,,,0.0,0.0,,0.0,,,0.0,
CCc1nc(SCC(=O)c2cc(C)ccc2C)n[nH]1,CID735674,,,,0.0,,,0.0,,,0.0,,,0.0,,0.0,,
CCc1nc(SCC(=O)c2ccc(C)c(C)c2)n[nH]1,CID735672,,0.0,,0.0,,,,0.0,,0.0,0.0,0.0,,,,0.0,
Cc1ccc(C(=O)CSc2n[nH]c(C)n2)cc1,CID884141,,0.0,,0.0,,,,0.0,,,,,0.0,,,0.0,0.0
CC1CCN(c2oc(-c3ccccc3F)nc2C#N)CC1,CID935568,,0.0,,,,,0.0,,,,,,,,,,
COc1ccc(-c2nc(C#N)c(N3CCC(C(N)=O)CC3)o2)cc1,CID2408611,,,,,,,,,,,,0.0,,,,,
COc1ccc(-c2nc(C#N)c(N3CCC(C(N)=O)CC3)o2)cc1OC,CID2025244,,,,,,,,,,,,,,,0.0,,
COc1ccccc1-c1nc(C#N)c(N2CC(C)CC(C)C2)o1,CID2963499,,,,,,,,,,,,,,0.0,,,
CC1CCN(c2oc(-c3ccccc3Cl)nc2C#N)CC1,CID661008,0.0,,0.0,,,,,,,0.0,,,,0.0,,,0.0
Cc1ccc(-c2nc(C#N)c(N3CCCCC3)o2)cc1,CID696345,0.0,,0.0,,,,0.0,,,,,,,,,,
CC1CC(C)CN(c2oc(-c3ccccc3Cl)nc2C#N)C1,CID2941550,0.0,,,,0.0,,,,,,0.0,,0.0,,,0.0,0.0
COc1ccccc1-c1nc(C#N)c(N2CCC(C(N)=O)CC2)o1,CID941482,,,,,,,,,,,,0.0,,,,,
N#Cc1nc(-c2ccccc2Cl)oc1N1CCCCC1,CID661256,0.0,,,,,0.0,,,,,,,,0.0,,0.0,0.0
N#Cc1nc(-c2ccccc2)oc1N1CCCCC1,CID660508,0.0,,,0.0,,0.0,0.0,,,,,,,,,,
N#Cc1nc(-c2ccc(Cl)cc2)oc1N1CCCCC1,CID661264,0.0,0.0,,,,,0.0,,,,,,,0.0,,0.0,
Cn1c(CNc2ccc(Cl)cc2)nc2ccccc21,CID715178,,0.0,,,,,,,,,,,,,,,0.0
Cc1ccc(NCc2nc3ccccc3n2C)cc1,CID797034,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1ccc(NCc2nc3ccccc3n2C)cc1,CID873068,,,,,,,,,0.0,,0.0,0.0,,,,,
Cn1c(CNc2ccc(O)cc2)nc2ccccc21,CID699797,,,,,,0.0,,,,,,,,,,,
Cc1cccc(NCc2nc3ccccc3n2C)c1,CID781034,,,,,,,,,,,,0.0,,,0.0,,
Cn1c(CNc2ccccc2)nc2ccccc21,CID763921,,,0.0,,,,0.0,0.0,,,,,,,0.0,0.0,
CCCn1c(CNc2ccccc2O)nc2ccccc21,CID760357,,0.0,,,,,,0.0,,,,,,0.0,,0.0,
CCn1c(CNc2ccc(C(=O)O)cc2)nc2ccccc21,CID867540,,,,,,,,,0.0,,0.0,0.0,,,0.0,,
Cn1c(CNc2ccccc2O)nc2ccccc21,CID873059,,,,,,,0.0,0.0,,,,0.0,,,,0.0,
CCOC(=O)c1ccc(NCc2nc3ccccc3[nH]2)cc1,CID4246179,0.0,,,,,,,,,,,,,,,,
CCCn1c(CNc2ccc(Br)cc2)nc2ccccc21,CID5308191,0.0,,,,,,0.0,,,,,0.0,,,,0.0,
COCc1nnc(NC(=O)CSc2ccc(C)cc2)s1,CID649650,,0.0,,0.0,0.0,,0.0,,0.0,0.0,0.0,,,0.0,,,
CCc1nnc(NC(=O)C(C)Sc2ccccc2)s1,CID5310490,,,,,,0.0,,,,,,,,,,,
COCc1nnc(NC(=O)CSc2ccccc2)s1,CID887859,0.0,,0.0,,0.0,,0.0,,0.0,,0.0,,0.0,0.0,,,
CC(C)c1nnc(NC(=O)CSc2ccccc2)s1,CID700480,,,,,,,,,0.0,0.0,0.0,,,,,,
CCOCCc1nnc(NC(=O)CSc2ccccc2)s1,CID2201423,0.0,0.0,,0.0,0.0,,,,0.0,,,,,0.0,,,
COCCSc1nnc(NC(=O)CSc2ccccc2)s1,CID1803175,,,0.0,,0.0,,,,0.0,,,,,,,,
CCOC(=O)Cc1nnc(NC(=O)CSc2ccccc2)s1,CID665313,0.0,,,0.0,0.0,,0.0,,0.0,0.0,,,0.0,,,,
CCOC(=O)Cc1nnc(NC(=O)CSc2ccc(Cl)cc2)s1,CID1383349,,,,,,,,,0.0,,,,,,0.0,,
CCOCc1nnc(NC(=O)CSc2ccccc2)s1,CID1825732,0.0,,0.0,,0.0,,,,0.0,0.0,,0.0,0.0,0.0,,,0.0
CCOCc1nnc(NC(=O)CSc2ccc(C)cc2)s1,CID1825757,,,,,,,,,0.0,0.0,0.0,,,0.0,,,
CCSc1nnc(NC(=O)CSc2c(Cl)cccc2Cl)s1,CID2701547,,,,,,,,,0.0,,,,,,,,
CCOC(=O)COn1c(=O)c(=O)n(OC)c2ccccc21,CID658428,,,,,,,0.0,,,,,0.0,,,,,
COn1c(=O)c(=O)n(O)c2ccccc21,CID3133605,,,,,,,,,,,,0.0,,,,,
CCCCN(C)CCNS(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C,CID9550238,,,,,,,,,,,,0.0,,,,,
CCCCN(CCCC)C(=O)CCS(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C,CID3240561,,,,,,,,0.0,,,,,,,,,
CCC(C)NC(=O)CCS(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C,CID5309898,,,,,,,0.0,,,,,,,0.0,,,
O=c1[nH]c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]c1=O,CID3899541,,,,,,,,0.0,,,,,,,,,
COC(=O)Cn1c(=O)c(=O)n(CC(=O)OC)c2ccccc21,CID1507230,,,,,,,,,,,,,,0.0,,,
CCCCN(CCCC)C(=O)CN(C)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C,CID3239763,,,,0.0,,,0.0,,,,,,,,,,
Cc1cc(C)c2[nH]c(=O)c(=O)[nH]c2c1,CID655777,,,,,,,0.0,0.0,,,,0.0,,,,,
CCOc1ccc2[nH]c(=O)c(=O)[nH]c2c1,CID683745,,0.0,0.0,0.0,,,0.0,,,,,,,,,,
CCOC(=O)COn1c(=O)c(=O)n(O)c2ccccc21,CID742428,,,,0.0,,,0.0,0.0,,,,,,,,,
COc1ccc(-c2nc3ccccc3c(=O)n2NC(=S)N(C)C)cc1,CID1213289,,,,,,,,,,,,,,,0.0,,
O=c1c2ccccc2nc(-c2ccc([N+](=O)[O-])cc2)n1O,CID2768996,,,,,,,,,,,,,,,0.0,,
O=c1c2cc(Br)ccc2nc(-c2ccc([N+](=O)[O-])cc2)n1O,CID1471105,,,,,,,,,,,,,,,0.0,,
CCCOC(=O)C(C)n1c(-c2ccccc2)nc2ccccc2c1=O,CID2790341,,,,,,0.0,,,,,,,,,0.0,,
O=c1c2ccccc2nc(-c2cccc(Cl)c2)n1O,CID3240077,0.0,,,0.0,,,,,,0.0,,,0.0,,,0.0,0.0
COCCCn1c(-c2ccccc2)nc2ccccc2c1=O,CID2177226,,,0.0,,0.0,,,,,,,,0.0,,,,
O=c1c2ccccc2nc(-c2ccccc2Cl)n1O,CID1487339,,,,,,,,,,,,,,0.0,,,
O=c1c2cc(Cl)ccc2nc(-c2ccccc2Cl)n1O,CID3713630,,,,,,,,,,,,,,0.0,,,
CCNC(=O)Nn1c(-c2ccccc2)nc2ccccc2c1=O,CID920261,,,,,,,,,,,,,,,0.0,,
O=c1c2ccc(Cl)cc2nc(-c2ccc([N+](=O)[O-])cc2)n1O,CID1487343,,,,,,,,,,,,,,,0.0,,
CCOC(=O)Cn1c(-c2ccccc2)nc2ccccc2c1=O,CID1147036,,,,,,,,,,,,,,0.0,,,
COC(=O)c1nnn(Cc2ccccc2)c1N,CID1234753,,0.0,,,,,0.0,,0.0,,,0.0,0.0,0.0,,,
COCCCNC(=O)c1cn(Cc2c(F)cccc2Cl)nn1,CID644426,0.0,,0.0,,,,,,,,,,,,0.0,,
COCCNC(=O)c1cn(Cc2c(F)cccc2Cl)nn1,CID3230989,,,,,,,,,,0.0,,,,,,,
Nc1c(C(=O)O)nnn1Cc1ccccc1,CID225434,,,,,,,,,,,,,,0.0,,,
CNC(=O)c1nnn(Cc2ccccc2)c1NC(=O)C(F)(F)F,CID713871,,,,,,,,,0.0,,,0.0,,,,,0.0
CNC(=O)c1nnn(Cc2ccccc2)c1NC(C)=O,CID713873,,,,0.0,,,0.0,,,,,0.0,,0.0,,,
COC(=O)c1cn(Cc2cccc(C)c2)nn1,CID1234910,,,,,,,,,,,,,,,0.0,,
CN(C)/C=N/c1c(C#N)nnn1Cc1ccccc1,CID3243868,,,,,,,0.0,,,,,,,,,,
COC(=O)c1cn(Cc2c(C)cc(C)cc2C)nn1,CID849727,,,,,,,,,,,,,,,0.0,,
N#Cc1nnn(Cc2ccccc2)c1N,CID329859,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1cn(Cc2c(C)c(C)c(C)c(C)c2C)nn1,CID849739,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1,CID1135872,,,,,,0.0,,,,,,,,,,,
COc1c(C)cc(Br)cc1C(=O)Nc1cccc(NC(=O)c2ccco2)c1,CID2214417,0.0,,,,,,,,0.0,,,,,,,0.0,0.0
COc1ccc(Br)cc1C(=O)Nc1cccc(NC(=O)c2ccco2)c1,CID1344243,0.0,,,,,,0.0,,0.0,,,0.0,,,,,0.0
COc1cccc(C(=O)Nc2cc(NC(=O)c3ccco3)ccc2OC)c1,CID653137,,,0.0,,,,,0.0,0.0,,,,0.0,0.0,,,
COc1cc(OC)cc(C(=O)Nc2cc(NC(=O)c3ccco3)ccc2OC)c1,CID655162,,,,,,0.0,,,0.0,0.0,,,0.0,,0.0,,
COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1c(F)c(F)c(OC)c(F)c1F,CID2980981,,,,,,,,,0.0,,,,,,,,0.0
CCOc1cc(OCC)cc(C(=O)Nc2ccc(Cl)c(NC(=O)c3ccco3)c2)c1,CID1364327,,,,,,0.0,,,,,,,,,,,
CCCOc1cccc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)c1,CID2268436,0.0,,,,,,,,0.0,0.0,,0.0,0.0,,,,0.0
COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cccc(OC(C)C)c1,CID653932,,,0.0,,,0.0,,,0.0,0.0,,0.0,,,,,
CCCOc1cccc(C(=O)Nc2cc(NC(=O)c3ccco3)ccc2OC)c1,CID656254,0.0,,,0.0,,,,,,,,0.0,,,,,
COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc(C)cc1,CID655668,,,0.0,0.0,,,,,0.0,,,0.0,0.0,,,,
COc1ccc(NC(=O)Nc2cccnc2)cc1,CID2837290,,,,,,,,,,,,,,0.0,0.0,,
O=C(Nc1cccnc1)Nc1ccccc1Cl,CID1111639,0.0,0.0,,,,,0.0,,,0.0,,,,,0.0,0.0,
O=C(Nc1ccc(Cl)cc1)Nc1cccnc1,CID759079,,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1cc(NC(=O)Nc2ccc(Br)cc2)c(C)nc1C,CID2139911,,,,,,,,,,,,,,,0.0,,
O=C(Nc1cccnc1)Nc1ccc(F)c(Cl)c1,CID971881,0.0,0.0,0.0,,,,,,,,,,,,,,
CCOC(=O)c1cc(NC(=O)Nc2ccccc2OC)c(C)nc1C,CID2948721,,,,,,,,,0.0,0.0,0.0,,,,,,
CC(=O)c1cccc(NC(=O)Nc2cccnc2)c1,CID978050,,0.0,,0.0,,,,0.0,,,,,0.0,0.0,,,
CCOC(=O)c1cc(NC(=O)Nc2ccc(OC)c(OC)c2)c(C)nc1C,CID1293110,,,,,,,,,,,,,0.0,,,,
COc1ccc(NC(=O)Nc2cccnc2)c(OC)c1,CID970898,,,,,,,,,,,,,,,0.0,,
O=C(Nc1cccnc1)Nc1ccc(Br)cc1Cl,CID971095,0.0,,,,,,,,,,,,,,,0.0,
COC(=O)c1ccccc1NC(=O)Nc1cccnc1,CID647380,,0.0,,,,,,,0.0,0.0,,,,,,,
CCCCOC(=O)NCN1C(=O)C2C3C=CC(C3)C2C1=O,CID3237474,,,0.0,,,,,0.0,,,,,,,,,
O=C1C2C3C=CC(C3)C2C(=O)N1CCCO,CID548802,,,,0.0,,,,,,,,,,,0.0,,0.0
CCOC(=O)NCN1C(=O)C2C3C=CC(C3)C2C1=O,CID4524988,,,,,,,,,,,,,,0.0,,,
C/C(Cl)=C/CN1C(=O)C2C3C=CC(C3)C2C1=O,CID5737659,,,,,,,,,,,,,,,,0.0,
NC(=O)CN1C(=O)C2C3C=CC(C3)C2C1=O,CID315734,,,,,,,0.0,,,,,,,,,,
CC(C(N)=O)N1C(=O)C2C3C=CC(C3)C2C1=O,CID315735,,,,,,,,0.0,,,,,,,,,0.0
O=C(O)CN1C(=O)C2C3C=CC(C3)C2C1=O,CID315730,,,,,,,,,,,,,0.0,,,,
CC12C(=O)N(CCC(=O)O)C(=O)C1C1C=CC2C1,CID3245308,,,,,,,,,,,,,,,0.0,,
O=C1C2C3C=CC(C3)C2C(=O)N1O,CID659442,,,,,,,,0.0,,,,,,,,,0.0
O=C(O)CCN1C(=O)C2C3C=CC(C3)C2C1=O,CID2793407,,,,,,,,,,,,0.0,,,,,0.0
CNC(=O)CN1C(=O)C2C3C=CC(C3)C2C1=O,CID3241459,,,,0.0,,,,,,0.0,,,,,0.0,,0.0
CCCNC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1F,CID3245089,,,,,,,,,,,,,0.0,,,,
COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1NC(C)=O,CID2992433,,,,,,,,,,,,,,0.0,,,
COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)N2CCc3ccccc32)c1OC,CID1042485,,,,,,,,,,,,,,0.0,0.0,,
CCC(CO)NC(=O)c1cccc(S(=O)(=O)N2c3ccccc3CC2C)c1,CID2997709,,,,,,,0.0,0.0,,,,,0.0,,,,
COc1ccc(NC(C)=O)cc1S(=O)(=O)N1CCc2ccccc21,CID3197611,,,,,,,,,,,,,,0.0,,,
COc1ccc(OC)c(S(=O)(=O)N2CCc3ccccc32)c1,CID653531,,,,,,,0.0,0.0,0.0,,0.0,,,0.0,,,
CC1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NCCCO)c1,CID2998579,,,,,,0.0,,,0.0,,,,,,,,
Cc1ccc(S(=O)(=O)N2c3ccc(S(N)(=O)=O)cc3CC2C)cc1,CID2975802,,,,,0.0,,0.0,,,0.0,0.0,,,,,,
COc1ccc(OC)c(S(=O)(=O)N2c3ccccc3CC2C)c1,CID2943266,,,,,,,0.0,,0.0,0.0,,,,,,,
COc1ccc(C)cc1S(=O)(=O)N1c2ccccc2CC1C,CID2956783,,,,,,,,,0.0,0.0,,,,,,,
CC(C)CNC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1,CID2435849,,,,,,,,,,,,,,,0.0,,
O=S(=O)(NCC(c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1,CID3238629,0.0,0.0,,,,,,,,,,,,,,,
COc1ccc(S(=O)(=O)NCC(c2cccnc2)N2CCN(c3ccccc3)CC2)cc1C,CID3236374,,,0.0,,,,,0.0,,,,,,,,,0.0
O=S(=O)(NCC(c1cccnc1)N1CCN(c2ccccc2)CC1)c1cc(F)ccc1F,CID3240067,,,,,0.0,,,,0.0,0.0,,,,,,,0.0
COc1ccc(N2CCN(C(CNS(=O)(=O)c3cc(F)ccc3F)c3cccnc3)CC2)cc1,CID3243656,,,,,0.0,,,,,,,,,,,0.0,
COc1ccccc1N1CCN(C(CNS(=O)(=O)c2ccc(C)cc2)c2cccnc2)CC1,CID3241270,,,,,,,,,,,,,0.0,,,,
COc1ccccc1N1CCN(C(CNS(=O)(=O)c2cc(F)ccc2F)c2cccnc2)CC1,CID3237833,,,,,0.0,,,,,,,,,,,,
COc1ccccc1N1CCN(C(CNS(=O)(=O)c2ccccc2)c2cccnc2)CC1,CID3236903,,,,,,,,,,,,,,,,,0.0
O=S(=O)(NCC(c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)c1ccc(F)cc1,CID4079117,0.0,,0.0,,0.0,,,,,,,,,,,,
O=S(=O)(NCC(c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)c1cc(F)ccc1F,CID3241938,0.0,,,,0.0,,0.0,,,,,,,,,,0.0
COc1ccc(S(=O)(=O)NCC(c2cccnc2)N2CCN(c3ccc(F)cc3)CC2)cc1C,CID3243404,,,0.0,0.0,,,,,,,,,,,,,
COc1ccc(S(=O)(=O)NCC(c2cccnc2)N2CCN(c3ccccc3OC)CC2)cc1C,CID3243184,,,0.0,,,,,,,,0.0,,,,,,0.0
Cc1ccc(SCCNC(=O)c2ccccc2)cc1,CID2267038,,,,,,0.0,,,,,0.0,,,,,,
O=C(NCCSc1ccccc1)c1ccc(Br)cc1,CID2285634,,,,,,,,,,,,,,0.0,,,
CSc1ccccc1C(=O)NCCSc1ccccc1,CID2975592,,,,,,,,,,,0.0,,,0.0,,,
COc1ccc(C(=O)NCCSc2ccccc2)cc1,CID2250429,,,,,,,,,,,,,,0.0,,,
O=C(NCCSc1ccccc1)c1ccccc1,CID2282924,,,,0.0,0.0,,,0.0,,,,,0.0,,,,
CN(C)S(=O)(=O)c1ccc(C(=O)NCCSc2ccccc2)cc1,CID1727273,,,,,,,,,,,,0.0,,0.0,,,
Cc1ccc(SCCNC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1,CID2278775,,,,,,0.0,,,,,,,,,,,
Cc1ccc(SCCNC(=O)c2cccc([N+](=O)[O-])c2C)cc1,CID2282854,,,,,,,,,,,,0.0,,,,,
Cc1ccccc1SCCNC(=O)c1ccccc1Br,CID2195008,,,,,,,,,,,,,,0.0,,,
COc1cccc(C(=O)NCCSc2ccc(Br)cc2)c1,CID2765391,,,,,,,,,,,,,,0.0,,,
O=C(NCCSc1ccccc1)c1ccccc1Cl,CID2284706,,,,,,,,,,,,,,0.0,,,
CC(O)CNc1ncnc2nc[nH]c12,CID3242795,,0.0,,,,,,,,,,,,,,,
CCCN(CCC)c1ncnc2nc[nH]c12,CID756688,,0.0,0.0,1.0,,,0.0,,,,,,,,0.0,,
CCOC(=O)C(C)(C)Sc1ncnc2nc[nH]c12,CID756720,,,,,,,0.0,,,0.0,,0.0,,,0.0,,
COCCCNc1ncnc2nc[nH]c12,CID2155044,,,0.0,,,,,0.0,,,,,,,,,
CN(CCO)c1ncnc2nc[nH]c12,CID4179438,,0.0,,1.0,,,,,,,,,,,,,
OCCOCCNc1ncnc2nc[nH]c12,CID2155050,,0.0,,0.0,,,,,,,,,,,,,
CCOC(=O)CNc1ncnc2nc[nH]c12,CID519183,,0.0,,0.0,,,,,0.0,,,,,,,,
CCOC(=O)C(CC)Sc1ncnc2nc[nH]c12,CID3239100,,,,,,,,,,,0.0,,,,0.0,,
COCCNc1ncnc2nc[nH]c12,CID2058777,,,0.0,,,,,,,,,,,,,,
CC(=O)CSc1ncnc2nc[nH]c12,CID521506,,,,,,,,,,,,0.0,,,,,
CCCNc1ncnc2nc[nH]c12,CID2155040,,,0.0,0.0,,,,,,,,,0.0,,,,
CCN1CCN(c2ccc(NC(=O)COc3ccccc3Cl)cc2)CC1,CID646787,0.0,,0.0,,,,,,,,,,0.0,,,,1.0
Cc1ccccc1OCC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1,CID655939,0.0,,,,0.0,,,,,,,,,,,0.0,0.0
CC(=O)N1CCN(c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)CC1,CID646744,0.0,,,,,,,,,,,,,,,,
Cc1cc(C)cc(OCC(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)c1,CID652754,,,,,0.0,0.0,,0.0,,0.0,0.0,,,,,,0.0
Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)c1,CID1288450,,,,0.0,0.0,,,,,,0.0,,,,,,0.0
CN1CCN(c2ccc(NC(=O)COc3ccccc3Cl)cc2)CC1,CID1086059,0.0,,0.0,,,,0.0,0.0,,,,,,,,,
Cc1cccc(OCC(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)c1C,CID652553,,,,,0.0,0.0,,0.0,,,,,,,,0.0,
CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CCN(C)CC2)cc1,CID2953635,,,,,,,,,,,,,0.0,,,,
Cc1cccc(OCC(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)c1,CID652920,,0.0,0.0,,0.0,0.0,,,,,,,,,,,
Cc1ccccc1OCC(=O)Nc1ccc(N2CCN(C(=O)C(C)C)CC2)c(Cl)c1,CID647748,,,0.0,,,,,,,,,,0.0,,,,0.0
CN1CCN(c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)CC1,CID662966,0.0,,,,,,0.0,,,,,,0.0,,,,
O=C(NCc1ccccc1Cl)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,CID1209529,,,,,,,,,,,,,,,0.0,,
COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3OC)CC2)c1,CID1093362,,0.0,,,0.0,,,0.0,,,0.0,,,,,0.0,0.0
COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NC(C)c3ccccc3)CC2)c1,CID654551,,0.0,,,0.0,0.0,,,0.0,0.0,,,0.0,,,0.0,0.0
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3Cl)CC2)cc1,CID1077699,,,,,,,,,,0.0,,0.0,,,0.0,,
COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cccc(OC)c3)CC2)cc1,CID654994,,0.0,0.0,,0.0,,,,,0.0,0.0,,,,,0.0,
CC(NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1)c1ccccc1,CID4350714,,,,,,,,,,,,,,0.0,,,
COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3)CC2)c1,CID648342,,,,,0.0,,,0.0,,,,0.0,,,,0.0,
COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)cc1,CID2963984,,,,,0.0,,,0.0,,0.0,,,,,0.0,,
COc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1,CID645318,,,,,,,,,,,,,0.0,,,,
COc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1,CID1460624,0.0,,0.0,,0.0,,,0.0,,0.0,0.0,,,,0.0,,
O=C(NCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,CID1327917,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1ccc(OC)cc1,CID2122323,,,,,,,,,,,,,,,0.0,,
C=CCn1c(C)cc(C(=O)COC(=O)c2ccc(N)c([N+](=O)[O-])c2)c1C,CID3903422,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1,CID2430004,,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1cccc(S(=O)(=O)NC)c1,CID2997596,,,,,,,,0.0,0.0,0.0,,,,,,,
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1ccc(OC)c(OC)c1,CID2416086,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1,CID2458474,,,,,,,,,0.0,,,,,,,,
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1ccccc1O,CID2415715,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1,CID2125707,,,,,,,,,,,0.0,,,,,,
COCCn1c(C)cc(C(=O)COC(=O)c2ccccc2Br)c1C,CID2401486,,,,,,,,,,,,,,,0.0,,
COc1cc(C(=O)OCC(=O)c2cc(C)n(C)c2C)cc(OC)c1OC,CID2549015,,,,,,0.0,,0.0,,,0.0,,,,0.0,,
CCCn1c(C)cc(C(=O)COC(=O)c2cc(S(=O)(=O)NCC(C)C)c(Cl)cc2Cl)c1C,CID2539992,,,,,,,,,,0.0,,,,,,,
O=C(O)c1cn(-c2ccccc2)c(=O)c2ccccc12,CID1487869,,,,,,,,,,0.0,,,,,,,
COC(=O)c1cn(-c2ccc(Cl)cc2)c(=O)c2ccccc12,CID2766382,,,,,,,,,,0.0,,,,0.0,,,
CCCCNC(=O)c1cn(-c2ccc(OCC)cc2)c(=O)c2cc(OC)c(OC)cc12,CID3292744,,,,,,0.0,,,,,,,,,,,
COc1cccc(-n2cc(C(=O)O)c3ccccc3c2=O)c1,CID3242980,,,,0.0,,,,,,,,,,,,,
COc1cccc(-n2c(N)c(C#N)c3ccc([N+](=O)[O-])cc3c2=O)c1,CID736911,,,,,,,,,,,,,,,0.0,,
N#Cc1c(N)n(-c2ccccc2)c(=O)c2cc([N+](=O)[O-])ccc12,CID2303622,,,,,,,,,,,,,,0.0,,,
CNC(=O)c1cn(-c2ccccc2)c(=O)c2ccccc12,CID1487880,,,,,,,,,,,,0.0,,,,,
CN(C)C(=O)c1cn(-c2ccc(Cl)cc2)c(=O)c2ccccc12,CID1487879,,,,,,,,,,,,,,0.0,,,
COC(=O)c1cn(-c2ccccc2)c(=O)c2ccccc12,CID1487878,,,,,,,,,,,,,,0.0,,,
CN(C)/C=N/C(=O)c1cn(-c2ccc(F)cc2)c(=O)c2ccccc12,CID4593227,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(-n2cc(C(=O)NC(C)C)c3cc(OC)c(OC)cc3c2=O)cc1,CID3292557,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(N(CC(=O)NCCc2ccc(OC)cc2)S(C)(=O)=O)cc1,CID2282063,,,,,,,,,,,,,,,0.0,,
COc1ccc(CCNC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1,CID2288969,,0.0,,,0.0,,,,,0.0,,,0.0,,,0.0,
CN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ccccc1,CID2459437,,,,,,,,,,,,,,0.0,,,
COc1ccc(OC)c(N(CC(=O)NCCc2ccccc2)S(C)(=O)=O)c1,CID2271205,,,,,,0.0,,,,,,,,,,,
COc1ccccc1N(CC(=O)NCCc1ccccc1)S(C)(=O)=O,CID2284913,,0.0,0.0,0.0,,,0.0,,,0.0,,,,,,,
COc1ccc(CCNC(=O)CN(c2ccccc2OC)S(C)(=O)=O)cc1,CID3236561,,,,0.0,,,,0.0,,,0.0,,,,,0.0,0.0
COc1ccc(CCNC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1,CID2282416,,,,,,,,,,,,,,0.0,,,
CS(=O)(=O)N(CC(=O)NCCc1ccccc1)c1ccc(Cl)cc1,CID2271047,,,,,,0.0,,,,,,,,,,,
COc1ccc(CCNC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1OC,CID2279376,,,0.0,,0.0,,,,,0.0,0.0,,0.0,,,0.0,
COc1ccc(CCNC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1OC,CID3120121,,,,,,,,,0.0,,,0.0,,,,,
COc1ccc(CCNC(=O)CN(c2ccccc2OC)S(C)(=O)=O)cc1OC,CID1743711,,,0.0,,0.0,,,,,0.0,,,,,,0.0,
CCN(CC)C(=O)CSc1nnc(-c2ccco2)n1N,CID932732,,,,,,0.0,,,,0.0,,,,,,,
CCCn1c(SCC(N)=O)nnc1-c1ccco1,CID656312,,0.0,,,,,,,,0.0,,,0.0,,,,
CN(CCC#N)C(=O)CSc1nnc(-c2ccco2)n1N,CID2425648,,,,,,,,,,,,,,,0.0,,
CCCCn1c(SCC(=O)NC(C)(C)C)nnc1-c1ccco1,CID648771,0.0,0.0,,,,,0.0,,,,,,0.0,,,0.0,
CCOC(=O)CSc1nnc(-c2ccco2)n1C,CID653710,,,,,,,,0.0,,0.0,,,0.0,0.0,,,
CCCNC(=O)CSc1nnc(-c2ccco2)n1C,CID651960,,0.0,,0.0,,0.0,,0.0,0.0,,0.0,0.0,,,,0.0,0.0
CCOC(=O)CNC(=O)CSc1nnc(-c2ccco2)n1N,CID662462,,,,0.0,,,,,,0.0,,0.0,,,,,
CCn1c(SCC(N)=O)nnc1-c1ccco1,CID648614,,0.0,,,,,,,,,,0.0,,,,,
CCCCn1c(SCC(N)=O)nnc1-c1ccco1,CID651365,,,,0.0,,,,0.0,,0.0,0.0,,0.0,,,0.0,
CCCCNC(=O)CSc1nnc(-c2ccco2)n1C,CID648567,,0.0,,,,,,,0.0,,0.0,,0.0,,,0.0,
CC(C)OC(=O)CSc1nnc(-c2ccco2)n1N,CID937190,,0.0,,0.0,,,,,,0.0,,,,,,,
CC(=O)Nc1cccc(-c2nc3ccccc3s2)c1,CID774490,,,,,,0.0,,,,,,,,,,,
Nc1cc2sc(-c3ccc(C(=O)O)cc3)nc2cc1Cl,CID767861,,,,,,,,,,,,,,0.0,0.0,,
Nc1cccc(-c2nc3ccc(N)cc3s2)c1,CID651082,,,,,,,,,0.0,,,,,,,,
COC(=O)Cc1ccc2sc(-c3ccccc3)nc2c1,CID726463,,,,,,,,,,,,,,0.0,,,
COc1cc(OC)c(-c2nc3ccccc3s2)cc1OC,CID1087077,,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2nc3ccccc3s2)cc1O,CID976322,,,0.0,0.0,0.0,,0.0,0.0,,0.0,,,0.0,,,,
CC(=O)Nc1cc(-c2nc3ccccc3s2)ccc1Cl,CID876004,,,,,,0.0,,,,,,,,,,,
COc1cccc(-c2nc3ccccc3s2)c1,CID833673,,,,,,,,,,0.0,0.0,,,,,,
Oc1cccc(-c2nc3ccccc3s2)c1,CID242605,,0.0,,,0.0,,,,,,,,,,0.0,,
Nc1ccccc1-c1nc2ccccc2s1,CID667680,,,,,,,,,,,,,,,0.0,,
COc1cc(OC)cc(-c2nc3ccccc3s2)c1,CID736985,,,,,,0.0,,,,0.0,,,,,,,
O=C(c1cccc(F)c1)N1CCN=C1SCc1cccnc1,CID4163752,,0.0,,,0.0,,,,,,,,,,,,
COc1ccc(C(=O)N2CCN=C2SCc2cccnc2)cc1OC,CID5063166,0.0,0.0,,,0.0,,,,,,,0.0,,,,,
CCOc1ccccc1C(=O)N1CCN=C1SCc1cccnc1,CID3236912,0.0,0.0,,,0.0,,,0.0,,,,,,,,0.0,0.0
COc1ccc(C(=O)N2CCN=C2SCc2cccnc2)c(OC)c1,CID5020277,0.0,0.0,,,0.0,,,,,,,,,,0.0,,
COc1cc(OC)cc(C(=O)N2CCN=C2SCc2cccnc2)c1,CID3422135,0.0,0.0,,,0.0,0.0,,,,,,,,,,,
CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN=C2SCc2cccnc2)cc1,CID3243420,0.0,0.0,0.0,,0.0,0.0,,,0.0,0.0,,,,,,0.0,0.0
COc1cccc(OC)c1C(=O)N1CCN=C1SCc1cccnc1,CID3237846,0.0,0.0,0.0,,0.0,,,,,,0.0,,,,,,0.0
O=C(c1ccccc1F)N1CCN=C1SCc1cccnc1,CID5199976,,,,0.0,,,,,,,,,,,,0.0,
COc1cccc(C(=O)N2CCN=C2SCc2cccnc2)c1OC,CID3341717,0.0,,,,0.0,,,0.0,0.0,,,,0.0,,,0.0,
CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCN=C2SCc2cccnc2)cc1,CID3245579,0.0,0.0,,0.0,0.0,,,,,,,,0.0,,,0.0,
COc1ccccc1C(=O)N1CCN=C1SCc1cccnc1,CID3236440,,0.0,,,0.0,,,,,,0.0,,0.0,,,0.0,
COc1ccc(C(C)(C)C)cc1NC(=O)C1C2C=CC(C2)C1C(=O)O,CID3243526,,,0.0,,,0.0,,,,,,,,,,,0.0
CCOc1ccccc1NC(=O)C1C2C=CC(C2)C1C(=O)O,CID2965105,,,,,,,,,,0.0,,,,,,,
O=C(O)C1C2C=CC(C2)C1C(=O)Nc1cccc(F)c1,CID2829241,,,,,,,0.0,,,0.0,,,0.0,,,,
COC(=O)c1cc(NC(=O)C2C3C=CC(C3)C2C(=O)O)cc(C(=O)OC)c1,CID2931840,,,,,,,,,,0.0,,,,,,,
CC(C)NS(=O)(=O)c1ccc(NC(=O)C2CC3C=CC2C3)cc1,CID3621538,,,,,,0.0,,,,,,,,,,,
COc1cc(NC(=O)C2C3C=CC(C3)C2C(=O)O)c(OC)cc1Cl,CID4599425,,,,,,,,,,,,0.0,,,0.0,,
COc1ccc(C)cc1NC(=O)C1C2C=CC(C2)C1C(=O)O,CID2932024,,,,,,,,,,,,,,,,,0.0
CCOC(=O)c1ccc(NC(=O)C2C3C=CC(C3)C2C(=O)O)cc1,CID4402411,,,,,,,,,,,,,0.0,,,,0.0
CC(C)COC(=O)c1ccc(NC(=O)C2C3C=CC(C3)C2C(=O)O)cc1,CID645415,,,,,,,,,,,,,0.0,,,,
CC(=O)Nc1cc(NC(=O)C2C3C=CC(C3)C2C(=O)O)ccc1Cl,CID2895145,,,,,,,,,,,,,,,,0.0,
O=C(O)c1cccc(NC(=O)C2C3C=CC(C3)C2C(=O)OCC(F)(F)C(F)F)c1,CID3238450,,,,,,,,,0.0,,,,,,,,0.0
CSC1=N/C(=C\c2c(F)cccc2Cl)C(=O)S1,CID2226730,,,,,,,,,,,,,,,0.0,,
CCSC1=N/C(=C\c2ccc(C(=O)O)cc2)C(=O)S1,CID1768567,,,,,0.0,,0.0,,,,,,0.0,0.0,,,0.0
CCSC1=N/C(=C\c2cccc(F)c2)C(=O)S1,CID1768696,,,,,,,,,,,,,,0.0,,,
CCOC(=O)SC1=N/C(=C\c2ccc(N(C)C)cc2)C(=O)S1,CID2191016,,,,,0.0,,,,,,,0.0,,0.0,0.0,,
CCOc1cc(/C=C2\N=C(SCC)SC2=O)cc([N+](=O)[O-])c1OC(C)=O,CID2296904,,,,,,0.0,,,,,,,,0.0,,,
CSC1=N/C(=C\c2ccccc2F)C(=O)S1,CID1735105,,,,,,,0.0,,,,,0.0,,,0.0,,
COC(=O)c1ccc(/C=C2\N=C(SC)SC2=O)cc1,CID885625,,,,,,,,,,,,,,0.0,,,
CSC1=N/C(=C\c2ccc(C)cc2)C(=O)S1,CID885802,,,,,,,,,,0.0,,,,,0.0,,
COc1ccc(/C=C2\N=C(SC)SC2=O)cc1OC,CID750722,,,,,,0.0,,,0.0,,,,,,,,
COc1cccc(/C=C2\N=C(SC)SC2=O)c1OC,CID886031,,,,,0.0,0.0,0.0,,,,0.0,,,,,,
CCOc1c(OC(C)=O)ccc(/C=C2\N=C(SCC)SC2=O)c1[N+](=O)[O-],CID2296796,,,,,,0.0,,,,,,,,,0.0,,
CCCCNS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccncc2)cc1,CID3226795,,,,,,,,,,0.0,0.0,,,,,,
CCOc1ccc(S(=O)(=O)NCc2ccncc2)cc1,CID676047,,,,,,,,,,0.0,,,,,,,
COC(=O)COc1ccc(S(=O)(=O)NCc2ccncc2)cc1,CID893921,,,,0.0,,,,,,,,0.0,,,,0.0,
Cc1ccc(S(=O)(=O)NCc2ccncc2)cc1,CID651192,,,0.0,0.0,,,0.0,,,,0.0,0.0,0.0,,,,0.0
CCOC(=O)COc1ccc(S(=O)(=O)NCc2ccncc2)cc1,CID1082996,,,,0.0,,,,0.0,0.0,,,,,,,0.0,
COc1ccc(S(=O)(=O)NCc2ccncc2)cc1OC,CID870239,,,,0.0,,,,0.0,,,,,,,,,
Cc1cc(Cl)c(S(=O)(=O)NCc2ccncc2)cc1OCC(N)=O,CID1288545,,0.0,,,0.0,,,,,,,,,,,,0.0
CCOc1cc(S(=O)(=O)NCc2ccncc2)ccc1Cl,CID2240759,,,,,,,,,,,,,,0.0,,,
COc1cc(C)c(Cl)cc1S(=O)(=O)NCc1ccncc1,CID2235247,,0.0,0.0,,,,,,,0.0,,,,,,,0.0
CCN(Cc1ccncc1)S(=O)(=O)c1ccc(C(C)=O)cc1,CID2560825,,,,0.0,,,,,0.0,,,,0.0,,,,0.0
Cc1cc(C)c(S(=O)(=O)NCc2ccncc2)c(C)c1,CID669092,,,,,,,,,,0.0,,0.0,,,,,
Cc1ccc(C)n1NC(=O)c1ccc(Cl)cc1Cl,CID895379,0.0,,,0.0,,,,,,,,,0.0,,,,
Cc1ccc(C)n1NC(=O)c1ccccc1O,CID900681,,,,,,,,,,0.0,,,,,,,
CC(=O)c1c(C(C)=O)c(C)n(NC(=O)c2ccccc2Cl)c1C,CID938053,,,,,,0.0,,,,0.0,,,,0.0,,,
Cc1ccc(C)n1NC(=O)c1ccccc1,CID900690,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(=O)Nn2c(C)ccc2C)cc1OC,CID969673,,,,,0.0,,0.0,,,,,,0.0,,,,0.0
Cc1ccc(C)n1NC(=O)c1cccc(Cl)c1,CID900703,,,,,,,,,,0.0,0.0,,,,,,
Cc1ccc(C)n1NC(=O)c1ccccc1Cl,CID899246,0.0,0.0,0.0,,,,,,,0.0,,,0.0,,,,0.0
Cc1ccc(C)n1NC(=O)c1ccc([N+](=O)[O-])cc1,CID969805,,,,,,,,,,,,,,,0.0,,
CC(=O)c1c(C(C)=O)c(C)n(NC(=O)c2ccc(Cl)cc2)c1C,CID941102,,,,,,,,,,0.0,,,,,,,
CC(=O)c1c(C(C)=O)c(C)n(NC(=O)c2ccccc2O)c1C,CID659423,0.0,,0.0,0.0,,,,0.0,0.0,,,,0.0,,,,
Cc1ccc(C)n1NC(=O)c1ccc(O)cc1,CID895406,,,,,,,,,,0.0,,0.0,,,0.0,,
CCCCOc1ccc(Cl)cc1CSc1n[nH]c(C)n1,CID2214281,,,,,,,,,,,,,,,0.0,,
COc1ccc(CSc2n[nH]c(C)n2)cc1Br,CID741325,,,,,,,,,,,,,,,0.0,,0.0
CCCCOc1ccc(CSc2n[nH]c(C)n2)cc1,CID1889597,,0.0,,0.0,,,,0.0,0.0,,,,0.0,,0.0,0.0,
Cc1nc(SCc2c(F)cccc2Cl)n[nH]1,CID724547,,0.0,,0.0,,,,,,,,,,,,,
Cc1nc(SCc2ccccc2C)n[nH]1,CID731923,,0.0,,,,,,,,0.0,,,,,,0.0,
Nc1nc(SCc2ccccc2Cl)n[nH]1,CID732052,,,,,,,,,,0.0,,,,,,,
CCc1nc(SCc2cc(Cl)ccc2OC)n[nH]1,CID662736,,0.0,,,0.0,,,,,,,,0.0,,,,0.0
CCOc1ccc(Cl)cc1CSc1n[nH]c(CC)n1,CID662856,,,,0.0,0.0,,,,,,,0.0,,,,,0.0
CCCc1nc(SCc2ccccc2Cl)n[nH]1,CID724561,,,,,,0.0,,,,,0.0,,,,,,
COc1ccc(Cl)cc1CSc1n[nH]c(C)n1,CID662295,0.0,0.0,,0.0,0.0,,0.0,,,,,,,,,0.0,0.0
Nc1nc(SCc2ccc(Cl)cc2Cl)n[nH]1,CID737273,,,,,,,,,,,,0.0,,,,0.0,
CCOC(=O)n1c(=O)n(Cc2c(Cl)cccc2Cl)c2ccccc21,CID1484093,,,,,,,,,,,,,,0.0,,,
CCOC(=O)n1c(=O)n(Cc2ccccc2Cl)c2ccccc21,CID1484094,,,,,,,,,,,,,,0.0,,,
CCOC(=O)n1c(=O)n(Cc2ccc(F)cc2)c2ccccc21,CID1484102,,,,,,,,,,,,,,0.0,,,
CCOC(=O)n1c(=O)n(Cc2ccccc2C)c2ccccc21,CID1484090,,,,,,,,,,,,,,0.0,,,
Cn1c(=O)n(Cc2ccccc2Cl)c2ccccc21,CID761927,,,,,,0.0,,,,,,,,,,,
Cn1c(=O)n(Cc2ccccc2F)c2ccccc21,CID807430,,,,,,,,0.0,,,,,,,,0.0,
O=c1[nH]c2ccccc2n1Cc1ccc(F)cc1,CID962314,,,,0.0,,,,0.0,,,,,,,,,
Cn1c(=O)n(Cc2ccccc2)c2ccccc21,CID563547,0.0,,,0.0,,,,,,,,,,,,0.0,
O=c1[nH]c2ccccc2n1Cc1ccccc1,CID736505,,,,,,,,,,,,0.0,,,,,
O=c1[nH]c2ccccc2n1Cc1ccc(Cl)cc1,CID4681038,,,,,,,,,,0.0,,,,,,,
Cc1ccccc1Cn1c(=O)[nH]c2ccccc21,CID755570,,,,0.0,,,0.0,,,,,,0.0,,,0.0,0.0
O=C(c1ccco1)N1CCN(c2cccc(Cl)c2)CC1,CID669410,,0.0,,,,,,,,,,,,0.0,,0.0,0.0
CC(=O)c1ccc(N2CCN(C(=O)c3ccco3)CC2)c(F)c1,CID975414,,,0.0,,,,,,,,,0.0,,,,,
O=C(c1ccc(Br)o1)N1CCN(c2ccccc2F)CC1,CID1222863,0.0,,,,,,,,0.0,,0.0,0.0,,,,,0.0
CC(=O)c1ccc(N2CCN(C(=O)c3ccco3)C(C)C2)c(F)c1,CID2938357,,,,,,,,,,,0.0,,,,,,
Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1,CID935439,,,,,,0.0,,,,,,0.0,,,,,
O=C(c1ccco1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1,CID712456,0.0,,,,,,,,,,,,,,,,
Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2C)o1,CID4576155,,,,,,0.0,,,,,,,,,,,
O=C(c1ccco1)N1CCN(c2ccccc2F)CC1,CID674925,,,,,,,,,,,,,,0.0,,,
CC(=O)c1cc(F)c(N2CCN(C(=O)c3ccco3)CC2)cc1C,CID975790,,,,,,,,,,,,0.0,,,,,0.0
O=C(c1ccco1)N1CCN(c2ccc(Cl)cc2)CC1,CID896853,,,,0.0,,,,,,0.0,,,0.0,,,0.0,0.0
O=C(c1ccc(Br)o1)N1CCN(c2ccc(F)cc2)CC1,CID1221222,,,,,,,,,0.0,,,0.0,,,,,
CCCS(=O)(=O)N1CCC(C(=O)NCCc2ccc(C)cc2)CC1,CID3244498,,,,,,,,0.0,,,,,0.0,,,,0.0
CC(C)(C)OC(=O)N1CCC(C(=O)NC(Cc2ccccc2)C(=O)O)CC1,CID664169,,,0.0,,,,0.0,,,,0.0,,0.0,,,,
CCOc1ccc(CCNC(=O)C2CCN(C(=O)N(C)C)CC2)cc1OCC,CID3237251,,,0.0,,,,,,,,0.0,,,,0.0,,
CCS(=O)(=O)N1CCC(C(=O)NCCc2ccc(C)cc2)CC1,CID3243452,,,,,,,,,,,,,,,,,0.0
Cc1ccc(CCNC(=O)C2CCN(C(=O)N(C)C)CC2)cc1,CID3240797,,,,0.0,,0.0,,,,,,,,,,,
CCS(=O)(=O)N1CCC(C(=O)NCCc2ccccc2)CC1,CID3239183,,,,0.0,,,0.0,,,,,,0.0,,,0.0,0.0
CCOc1ccc(CCNC(=O)C2CCN(S(=O)(=O)CC)CC2)cc1OCC,CID3240459,,,0.0,,,0.0,,,,,,,,,,,
CS(=O)(=O)N1CCC(C(=O)NCCc2ccccc2)CC1,CID774765,,,,,,,,,,,,,,,0.0,,
CCCS(=O)(=O)N1CCC(C(=O)NCCc2ccccc2)CC1,CID3245166,,,,,,,0.0,0.0,,,,,,,,0.0,
COc1ccc(CCNC(=O)C2CCN(S(C)(=O)=O)CC2)cc1OC,CID2193833,,,0.0,,,,,,,,,,0.0,,,0.0,
CCS(=O)(=O)N1CCC(C(=O)NCCc2ccc(OC)c(OC)c2)CC1,CID3242894,,,0.0,,,0.0,,,,,,,,,,0.0,
CC(=O)c1cccc(NC(=O)C2CCCN(S(=O)(=O)c3ccccc3)C2)c1,CID2975025,,,,,,,,,,,,,,,0.0,0.0,0.0
COC(=O)c1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2ccccc2)C1,CID2971915,,,,,,,,,,0.0,,,0.0,,,,0.0
COC(=O)c1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1,CID2982956,,,,,0.0,,,,,,0.0,,0.0,,,,
CSc1cccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c1,CID2983047,,,0.0,,0.0,,,,,,,,,,,,
COC(=O)c1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1,CID2968658,,,,,,,,0.0,0.0,,,,0.0,,,,
COc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1OC,CID2954243,,,,0.0,0.0,,,,,,,,,,,,
CCOc1cccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)c1,CID646354,,,,0.0,0.0,,,,,,0.0,,0.0,,,0.0,0.0
COc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3cccc(C(C)=O)c3)C2)cc1,CID2979389,,,0.0,,0.0,,,,,0.0,0.0,,0.0,,,0.0,0.0
CC(=O)c1cccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c1,CID2964491,,,,,,,,,,,,0.0,,,,,0.0
CCOc1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2ccc(OC)c(C)c2)C1,CID2982029,,,,0.0,0.0,,,0.0,,,,,,0.0,,0.0,
COc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3ccc(OC)c(OC)c3)C2)cc1,CID655710,,0.0,,,0.0,,0.0,0.0,,,,,0.0,,,0.0,
COn1c(=O)c(-c2ccc(Cl)cc2)[n+]([O-])c2ccccc21,CID976727,,,0.0,,,,0.0,,,0.0,,,0.0,0.0,,0.0,0.0
CCOn1c(=O)c(-c2ccc(Cl)cc2)[n+]([O-])c2ccccc21,CID948061,,,,,,,,,,,,,,0.0,,,
CCOn1c(=O)c(-c2ccc(OC)c(OC)c2)[n+]([O-])c2ccccc21,CID940323,,,,,,,,,,0.0,0.0,,,,,,
O=c1c(-c2ccc(Cl)cc2)[n+]([O-])c2ccccc2n1O,CID660579,,,,0.0,,,,,,,,,,,,,0.0
O=c1c(-c2ccccc2)[n+]([O-])c2ccccc2n1O,CID659507,,0.0,0.0,,,,,,,,,,0.0,,,0.0,
CCOn1c(=O)c(-c2ccc(OC)cc2)[n+]([O-])c2ccccc21,CID660207,0.0,0.0,,0.0,,0.0,,,,,0.0,,,0.0,,,
CCOC(=O)COn1c(=O)c(-c2ccc(OC)c(OC)c2)[n+]([O-])c2ccccc21,CID660205,,,0.0,,,,,,,,,,,,,,
CCOn1c(=O)c(-c2cccc([N+](=O)[O-])c2)[n+]([O-])c2ccccc21,CID1936127,,,,,,,,,,,,,,0.0,0.0,,
C=CCOn1c(=O)c(-c2ccc(OC)c(OC)c2)[n+]([O-])c2ccccc21,CID1931756,,,,,,,,,,,0.0,0.0,,,0.0,,
C=CCOn1c(=O)c(-c2ccc(OC)cc2)[n+]([O-])c2ccccc21,CID660071,0.0,,0.0,,,,0.0,,,,0.0,,,,0.0,,
C=CCOn1c(=O)c(-c2ccccc2)[n+]([O-])c2ccccc21,CID1622995,,,,,,,,,,,,,,0.0,,,
O=C(O)Cc1ccc(C(=O)c2ccc(F)cc2)s1,CID5235373,,,,,,,,,,,,,,0.0,,,
O=C(O)Cc1ccc(C(=O)c2ccc(Cl)cc2)s1,CID1486755,,,,,,,,,0.0,0.0,,,,0.0,,,
O=C(O)Cc1ccc(C(=O)c2ccccc2F)s1,CID1486757,,,,,,,,,0.0,,0.0,0.0,,,,,
C=CCNc1sc(C(=O)c2ccccc2)c(N)c1C#N,CID1963940,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(C(=O)c2cccs2)cc1,CID2899679,,,,,,,,,,0.0,,,,0.0,,,
Nc1cc(C(=O)c2cccs2)ccc1Cl,CID759286,,,,,,,0.0,,,,,,,,,,
COc1ccc(C(=O)c2ccc(CC#N)s2)cc1,CID2764155,,,,,,,,,,,,0.0,,,0.0,,
NC(=O)Cc1ccc(C(=O)c2ccc(Cl)cc2)s1,CID1486758,,,,,,,,,,,,,,0.0,,,
C=CCNc1sc(C(=O)c2ccc(C)cc2)c(N)c1C#N,CID1841174,,,,,,,,,,,0.0,,,,,,
O=C(O)c1ccccc1C(=O)c1cccs1,CID282654,,,,,,,,,0.0,,,,,,,,0.0
CCc1ccc(C(=O)c2ccccc2C(=O)O)s1,CID5153038,,,,,,,,,0.0,,,,,,0.0,,
COc1ccc(C(=O)n2nnc3ccccc32)cc1Br,CID833492,0.0,,,,,,0.0,,0.0,,0.0,0.0,,,1.0,0.0,
O=C(c1cccc(F)c1)n1nnc2ccccc21,CID807814,,,,0.0,,,0.0,,,,,,,,,,
COc1ccc(C(=O)n2nnc3ccccc32)cc1OC,CID743706,,,,,,,,,,,,,,,1.0,,
COc1cc(SC)ccc1C(=O)n1nnc2ccccc21,CID760115,,,,,,0.0,,,,,,,,,,,
C#CCOC(=O)c1ccccc1C(=O)n1nnc2ccccc21,CID658532,,0.0,,,,0.0,,0.0,,,,,1.0,1.0,,,
Cc1ccc(C(=O)n2nnc3ccccc32)cc1,CID827004,,,,,,,,,,0.0,,,,,,,
CCCC(=O)Nc1ccc(C(=O)n2nnc3ccccc32)cc1,CID2201551,,,,,,,,,,,,,1.0,1.0,1.0,,0.0
CN(C)c1ccc(C(=O)n2nnc3ccccc32)cc1,CID694547,,,,,,,,,,,,0.0,,,,,
CCSc1ccccc1C(=O)n1nnc2ccccc21,CID2212050,,,,,,,0.0,,,,0.0,0.0,1.0,,1.0,,0.0
Cc1ccc(C(=O)n2nnc3ccccc32)cc1[N+](=O)[O-],CID596243,,,,,,,,,,,,,,0.0,0.0,,
O=C(c1ccccc1)n1nnc2ccccc21,CID570059,,,,,,,,,,,,,,,1.0,,
Cc1c(NC(=O)c2c(F)cccc2F)c(=O)n(-c2ccccc2)n1C,CID1537115,,,,,0.0,,,,,,,,,,,,
COc1cccc(OC)c1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O,CID2850176,0.0,0.0,0.0,0.0,,0.0,,0.0,,0.0,0.0,0.0,,,,,
Cc1c(N(C)C(=O)c2ccccc2F)c(=O)n(-c2ccccc2)n1C,CID2354258,,,,,,,,,,,,0.0,,,,,
Cc1c(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c(=O)n(-c2ccccc2)n1C,CID1752575,,,,,,,,,0.0,,,,,,,,
Cc1c(NC(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C,CID21924,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C(=O)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C(C)C)cc1,CID1368509,,,,,,,,,0.0,0.0,,0.0,,,,,
Cc1c(NC(=O)c2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C,CID748890,,,0.0,0.0,,,,0.0,,0.0,,0.0,,,,,
Cc1c(NC(=O)c2ccccc2F)c(=O)n(-c2ccccc2)n1C,CID2305535,,,,0.0,,0.0,,,,,,0.0,,0.0,,,
COc1ccccc1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O,CID698451,0.0,0.0,0.0,,,,,,,,,0.0,,,,,
Cc1c(NC(=O)c2cccc(F)c2)c(=O)n(-c2ccccc2)n1C,CID679014,,,,,,,,,,,,0.0,,,,,
CCCN(C(=O)c1ccccc1N)c1c(C)n(C)n(-c2ccccc2)c1=O,CID1338210,0.0,0.0,0.0,0.0,,,,,0.0,,,0.0,0.0,0.0,,0.0,0.0
Cc1cc(C)c(OCC(=O)Nc2nnn(C)n2)c(Br)c1,CID953423,,,,,,,,,0.0,,,0.0,,,,0.0,0.0
CCn1nnc(NC(=O)COc2cc(C)ccc2C(C)C)n1,CID953039,,0.0,,0.0,,,0.0,,,,,,0.0,0.0,0.0,,
CCCn1nnc(NC(=O)COc2ccc(Cl)cc2)n1,CID648464,,,0.0,,,,0.0,,,,,,,,,,
CCCn1nnc(NC(=O)COc2cc(C)ccc2C(C)C)n1,CID2193871,,,,,,,,,,,,,,0.0,0.0,,
CCCn1nnc(NC(=O)C(C)Oc2ccc(Cl)cc2Cl)n1,CID2953553,,,,,,,0.0,,,,,,0.0,,,,
CCCn1nnc(NC(=O)COc2ccccc2Cl)n1,CID893394,0.0,,0.0,,,,0.0,,,,,,,0.0,,,
CCn1nnc(NC(=O)C(C)Oc2ccc(Cl)cc2Cl)n1,CID656072,0.0,,,,,,,,0.0,,,,,,,,
Cc1cccc(OCC(=O)Nc2nnn(C)n2)c1C,CID953413,,,,,,,,,,,,0.0,,,,,
O=C(COc1ccccc1)Nc1nn[nH]n1,CID874260,,0.0,,,,,,,,0.0,,,,,0.0,,
Cc1ccc(OCC(=O)Nc2nnn(C)n2)c(C)c1,CID654531,,0.0,,0.0,,,,0.0,,,,,0.0,,,,
CCCCn1nnc(NC(=O)COc2cc(C)ccc2C(C)C)n1,CID2219063,,0.0,,,,,0.0,0.0,,,,,,,0.0,,
COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NCCc3ccccc3)CC2)c1,CID2956112,,,,,,,,,,0.0,,,,,,,
COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1OC,CID2920559,,,,,,,,,,,,0.0,,,0.0,,
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3ccccc3)CC2)cc1,CID1077691,,,,,,,,,,0.0,0.0,,,,,,
COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1,CID2921395,,,,,,,,,,,,,,,0.0,,
COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3ccccc3)CC2)cc1OC,CID2922198,,,,,,,,,,,,0.0,,,0.0,,
O=C(NCCc1ccccc1)C1CCN(S(=O)(=O)c2ccccc2)CC1,CID1327814,,,,,,,,,,0.0,0.0,,,,,,
COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NCCc3ccc(OC)c(OC)c3)CC2)c1,CID2969118,,0.0,,,0.0,,,,,0.0,0.0,,,,0.0,,
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC(Cc3ccccc3)C(=O)O)CC2)cc1,CID667367,,,,0.0,,,,0.0,,0.0,0.0,,,,,0.0,
COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)NCCc2ccccc2)CC1,CID1263562,,,,,,,,,,,,,,,0.0,,
COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)cc1,CID2963985,,,,,0.0,,,0.0,,0.0,0.0,,0.0,,,,
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2)cc1,CID3192960,,,,,,,,,,,,0.0,,,,,
COc1ccccc1NC(=O)CSc1nnc(C2CCCCC2)n1C,CID2233423,,0.0,0.0,,0.0,,0.0,,,0.0,0.0,,,,,,0.0
CCn1c(SCC(=O)Nc2cc(OC)ccc2OC)nnc1C1CCCCC1,CID649658,0.0,,,,,,0.0,0.0,,,0.0,,,,0.0,0.0,0.0
Nn1c(SCC(=O)Nc2cccc(F)c2)nnc1C1CCCCC1,CID662892,0.0,0.0,,,,,,,,0.0,,,,,,0.0,
CCOC(=O)c1cccc(NC(=O)CSc2nnc(C3CCCCC3)n2CC)c1,CID645028,0.0,,0.0,,,,0.0,0.0,,,0.0,,,,,,0.0
CCOC(=O)c1ccc(NC(=O)CSc2nnc(C3CCCCC3)n2C)cc1,CID1140116,,,,,,,,,,,0.0,,,,,,
Nn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1C1CCCCC1,CID663154,0.0,0.0,,,0.0,,,,,,0.0,,,,,,
Cc1ccc(NC(=O)CSc2nnc(C3CCCCC3)n2N)cc1F,CID663151,0.0,0.0,,0.0,,,0.0,0.0,,0.0,0.0,,,,,,
Nn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1C1CCCCC1,CID662163,0.0,,,,0.0,,,,,0.0,,,,,,,
CCOC(=O)c1cccc(NC(=O)CSc2nnc(C3CCCCC3)n2C)c1,CID651705,0.0,,,,,,0.0,0.0,,,0.0,,0.0,,,0.0,0.0
Nn1c(SCC(=O)Nc2ccc(F)cc2)nnc1C1CCCCC1,CID662519,0.0,,0.0,,,,,0.0,,0.0,0.0,,0.0,,,0.0,
CCn1c(SCC(=O)Nc2ccccc2)nnc1C1CCCCC1,CID865737,,,,,,,,,,0.0,,,,,,,
CCOc1ccc(C(=O)Nc2c(C(N)=O)oc3ccccc23)cc1,CID3235679,1.0,,,0.0,0.0,,0.0,0.0,0.0,,,0.0,,,,,
COC(=O)c1oc2ccc(Br)cc2c1NC(=O)c1ccccc1,CID661369,0.0,,,,,,0.0,,0.0,,,0.0,,,0.0,,0.0
NC(=O)c1oc2ccccc2c1NC(=O)c1ccccc1,CID570268,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1,CID3238290,,,,,,,,0.0,,0.0,,,0.0,,,0.0,
Cc1ccc(C)c(C(=O)Nc2c(C(N)=O)oc3ccccc23)c1,CID5310334,,0.0,0.0,,,,,,,,,,,,,,0.0
COc1cccc(C(=O)Nc2c(C(N)=O)oc3ccccc23)c1,CID4053250,0.0,,,0.0,0.0,,,0.0,,,,,,,,,
CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccccc1OC,CID3239718,,0.0,,,,,,0.0,,,,,,,,,
NC(=O)c1oc2ccccc2c1NC(=O)c1ccc(F)cc1,CID3273996,,,0.0,,,,0.0,0.0,,,,,0.0,,,,
CCOC(=O)c1oc2ccccc2c1NC(=O)c1cc(OC)cc(OC)c1,CID3237605,,,,,,,,0.0,,,,,,,,,
CCOC(=O)c1oc2ccccc2c1NC(=O)c1cccc(OC)c1,CID3241781,,,,,,0.0,,0.0,,,0.0,,0.0,,,0.0,
O=C(Nc1c(C(=O)O)oc2ccc(Br)cc12)c1ccccc1,CID1796241,0.0,,,,,,0.0,,0.0,,0.0,0.0,,,0.0,,0.0
CCOC(=O)CC1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1,CID2997331,,,,0.0,,,,,0.0,,,,,,,,
O=C(O)CC1C(=O)NCCN1Cc1ccc(F)c(F)c1,CID2997341,,,,,,,,,,,,,0.0,,,,
CCOc1ccc(CN2CCNC(=O)C2CC(=O)OC)cc1,CID2986793,,,,,0.0,0.0,0.0,0.0,0.0,,,,0.0,,,,
CCCOC(=O)CC1C(=O)NCCN1Cc1ccccc1C,CID4777789,0.0,,,,,,,,,,,,,,,,
Cc1ccccc1CN1CCNC(=O)C1CC(=O)O,CID2990297,,0.0,,,,,0.0,,,,,,0.0,,,,
CCOC(=O)CC1C(=O)NCCN1Cc1cccc(OC)c1,CID2997090,,,,,0.0,,,,,0.0,,,,,,,
COc1ccc(CN2CCNC(=O)C2CC(=O)O)c(OC)c1,CID2997421,,0.0,,0.0,0.0,,,,0.0,,,,,,,,0.0
COc1ccc(CN2CCNC(=O)C2CC(=O)O)cc1OC,CID2997319,,,0.0,,0.0,,,0.0,,0.0,,,,,,,0.0
Cc1ccc(CN2CCNC(=O)C2CC(=O)O)cc1,CID2996975,,,0.0,0.0,,,,,,,,,0.0,,,,
CCCOC(=O)CC1C(=O)NCCN1Cc1ccc(F)cc1,CID4777785,,,,,,,,,,,,,,,,,0.0
COc1cccc(CN2CCNC(=O)C2CC(=O)O)c1OC,CID3161674,,,,,0.0,,0.0,0.0,,,0.0,,,,,,
CCCc1ccc2c(N)c(C#N)sc2n1,CID1070232,,,,0.0,,,,,,,,,,,,,
COCc1cc(C)c2c(N)c(C#N)sc2n1,CID700804,,,0.0,,,,0.0,,,0.0,,,,,,,
CCOC(=O)c1sc2nc(C)cc(C)c2c1N,CID334460,0.0,,,,0.0,,0.0,,,0.0,,,,,,,0.0
CCOC(=O)c1sc2nccc(N(C)C)c2c1/N=C/N(C)C,CID2765713,,,0.0,0.0,,,,,,,,,,,,,
CCOC(=O)c1sc2nccc(N(C)C)c2c1/N=C/NOC,CID2765718,,,,,,,,,,,,,,,0.0,,
CCCCCCCCS(=O)c1sc2nc(C)cc(C)c2c1N,CID1717706,,,,,,,,,0.0,,0.0,,,,,,
CCOC(=O)CNC(=O)c1sc2nc(C)cc(C)c2c1N,CID660248,,,,,,,0.0,,,,,,,,,,
COCc1cc(C)nc2sc(C(=O)OC)c(N)c12,CID613092,,,0.0,0.0,0.0,,,,,,,,,,,,
CCCCS(=O)(=O)c1sc2nc(C)cc(C)c2c1N,CID2194569,,,,,,,,,,,,,,0.0,,,
CN(C)c1ccnc2sc(C(N)=O)c(N)c12,CID759785,,,,,,,,,,0.0,,,,,,,
COCc1cc(C)nc2sc(C(=O)OC(C)C)c(N)c12,CID2224601,,,,,0.0,,,,,,,,,,,,
O=c1cc(O)nc(SCc2ccc(Cl)cc2)[nH]1,CID877401,,,,,,,0.0,,,,,,,,,,0.0
O=c1cc(O)nc(SCc2ccccc2Cl)[nH]1,CID816232,,,,0.0,,,,,,0.0,,,,,,,
CC(C)c1c(O)nc(SCc2ccccc2)[nH]c1=O,CID646640,,,,,0.0,0.0,,0.0,0.0,,,,0.0,,,,0.0
O=c1cc(O)nc(SCc2ccccc2)[nH]1,CID774009,,,,,0.0,,0.0,0.0,0.0,,,,0.0,,,,
CCC(C)c1c(O)nc(SCc2ccccc2)[nH]c1=O,CID2843981,,,,,0.0,,0.0,0.0,,,,,0.0,,,,
CCCc1c(O)nc(SCc2ccccc2)[nH]c1=O,CID563808,,,0.0,,0.0,,,,,,,,0.0,,,,0.0
COc1cc(=O)[nH]c(SCc2c(F)c(F)c(F)c(F)c2F)n1,CID658788,,,,,,,,,0.0,,,,,,,,0.0
CC(=O)c1ccc(OC(C)C)c(CSc2nc(O)cc(=O)[nH]2)c1,CID878331,,,,0.0,0.0,0.0,0.0,0.0,0.0,,,,,,,,0.0
CCCOc1ccc(C(C)=O)cc1CSc1nc(O)cc(=O)[nH]1,CID3103780,,,,,,,,,0.0,,,,,,,,
O=c1ccnc(SCc2ccccc2Cl)[nH]1,CID241166,,0.0,,,,,,,,0.0,,,0.0,0.0,,,
N#Cc1ccccc1CSc1nc(O)cc(=O)[nH]1,CID877399,,,,0.0,,,0.0,,,0.0,,0.0,0.0,,,,0.0
Cc1ccc(NC(=O)c2nc3nccc(C)n3n2)c(C)c1,CID2093078,,,,,,,,,,,,,,0.0,,,
COc1ccc(NC(=O)c2nc3nc(C)cc(C(F)F)n3n2)cc1OC,CID1093889,0.0,0.0,,,,,,,,,,,,,,,
CCOC(=O)c1ccccc1NC(=O)c1nc2nc(C)cc(C)n2n1,CID2088492,,,0.0,,,,0.0,,,0.0,,,0.0,,,0.0,0.0
Cc1cc(C(F)F)n2nc(C(=O)Nc3cccc(C(F)(F)F)c3)nc2n1,CID1226157,,,,,,,,,0.0,,,,,,,,
COc1ccc(C)cc1NC(=O)c1nc2nc(C)cc(C)n2n1,CID2122002,,0.0,,0.0,,,0.0,0.0,,,,0.0,0.0,,,,
Cc1cc(C(F)F)n2nc(C(=O)Nc3ccccc3Br)nc2n1,CID645413,0.0,,,,,,,,,,,,,,,0.0,0.0
COC(=O)c1ccccc1NC(=O)c1nc2nc(C)cc(C)n2n1,CID2243291,,0.0,,0.0,,,0.0,,,,,,,,,,
COc1cccc(NC(=O)c2nc3ncccn3n2)c1,CID821865,,0.0,0.0,,,,,,,,,0.0,0.0,,,,
COc1cccc(NC(=O)c2nc3nc(C)cc(C(F)F)n3n2)c1,CID1093987,0.0,0.0,,0.0,,,,,,,,,,,,,
Cc1cc(C(F)F)n2nc(C(=O)Nc3ccc(F)cc3F)nc2n1,CID895509,0.0,,,,,,,,,,,,,,,,
Cc1cc(C(F)F)n2nc(C(=O)Nc3ccccc3F)nc2n1,CID974967,0.0,,,,0.0,,,,,,,,,,,,
CCCC12CN3CC(C)(CN(C1)C3c1ccc(OC)cc1)C2=O,CID752739,,,,,,,,,,,,,,,0.0,,
CC(C)C12CN3CC(C(C)C)(CN(C1)C3c1ccccc1O)C2=O,CID808571,,,,,,,,,,,,,,,,0.0,0.0
CC12CN3CC(C)(CN(C1)C3c1ccc(Br)cc1)C2=O,CID720475,,,,,,,0.0,,0.0,,0.0,,,,,0.0,0.0
CC12CN3CC(C)(CN(C1)C3c1cc(Br)ccc1O)C2=O,CID1067821,0.0,,,,,,,,0.0,,,,,,,0.0,0.0
C=CCOc1ccc(C2N3CC4(CC)CN2CC(CC)(C3)C4=O)cc1,CID650022,,,,0.0,0.0,0.0,,,,0.0,,,0.0,,,,0.0
CCCC12CN3CC(C)(CN(C1)C3c1ccc(OC(C)C)cc1)C2=O,CID667106,,,,,,,,,,,,,,,,,0.0
C=CCOc1ccc(C2N3CC4(C)CN2CC(CCC)(C3)C4=O)cc1,CID2034782,,0.0,,,,0.0,,0.0,,0.0,,,,,,,0.0
CCC12CN3CC(CC)(CN(C1)C3c1ccc(OC(C)C)cc1)C2=O,CID705394,,,,,,,,,,0.0,,,,,,,0.0
COc1ccc(C2N3CC4(C)CN2CC(C)(C3)C4=O)cc1OC,CID928999,,,0.0,,0.0,,,,,0.0,,,,,,,
CC12CN3CC(C)(CN(C1)C3c1ccc(Cl)cc1Cl)C2=O,CID714306,0.0,,,,,,,,,,,,,,,,0.0
COc1ccc(Br)cc1C1N2CC3(C)CN1CC(C)(C2)C3=O,CID665935,,,,,,,0.0,,0.0,,,,,,,0.0,0.0
CCN(CC)CCCNc1nc(=O)c(C)n[nH]1,CID2062265,,0.0,,0.0,,,,0.0,,,,,,,,,
CSc1nc(=O)cn[nH]1,CID242300,,,,,,,0.0,,,,,,,,,,
CSc1nc(=O)c(C)n[nH]1,CID286861,,0.0,,0.0,,,0.0,,,,,,,,,,
Cc1n[nH]c(SCC(C)C)nc1=O,CID704996,,,0.0,0.0,,,,,0.0,,,,,,,,
CCOC(=O)CNC(=O)CSc1nc(=O)c(C)n[nH]1,CID6852062,,,,,,,,,,,,,,,0.0,,
CCCCCSc1nc(=O)cn[nH]1,CID1585571,,,,0.0,,,,,,,,,,,,,
CCCCCSc1nc(=O)c(C)n[nH]1,CID1585570,,,,,,,,,,,,0.0,,,,,
Cc1n[nH]c(SCCC(C)C)nc1=O,CID706548,,,,0.0,,,,,0.0,,,,0.0,,,,
CCOC(=O)CSc1nc(=O)c(NCC(=O)OC(C)C)n[nH]1,CID645859,,,,,,,0.0,,,,,,,,,,
CCCCSc1nc(=O)c(C)n[nH]1,CID1585567,,,,,,,0.0,,,,,,0.0,,,,
CCCCOC(=O)CNc1n[nH]c(SCC(=O)OCC)nc1=O,CID649654,,,,,,,,,,,,,,,,0.0,0.0
Cc1ccc(SCCC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1,CID1306784,,,,,,0.0,,,,,0.0,,,,,,
Cc1ccc(SCCC(=O)Nc2ccccc2Br)cc1,CID988415,,,,,,,,,,,,,,0.0,,,
CN(c1cccc(NC(=O)CCSc2ccccc2)c1)S(C)(=O)=O,CID1319196,,,0.0,0.0,0.0,,,,,0.0,0.0,,,0.0,,,
COC(=O)c1ccc(C)c(NC(=O)CCSc2ccc(C)cc2)c1,CID951590,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CCSc1ccccc1Cl,CID2480989,,,,,,,,,,,,,,,0.0,,
O=C(CCSc1ccccc1Cl)Nc1cccc([N+](=O)[O-])c1,CID2089572,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccc(C)c(NC(=O)CCSc2ccc(Cl)cc2)c1,CID1321611,,,,,,,,,,,,0.0,,0.0,,,
Cc1ccc(NC(=O)CCSc2ccccc2)c(C)c1,CID2270931,,,,,,,,,,,,,,,0.0,,
Cc1cc(Br)ccc1NC(=O)CCSc1ccccc1,CID1252378,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccc(C)c(NC(=O)CCSc2ccccc2)c1,CID808132,,,,,,0.0,,,,,,,,,,,
O=C(CCSc1ccccc1)Nc1ccccc1Br,CID875277,,,,,,,,,,,,,,0.0,0.0,,
C=CCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCC(C(=O)OCC)CC1,CID661674,,,,,,,,,,,,,,,,0.0,
CCOC(=O)C1CCN(c2nc3ccccc3nc2C(C#N)C(=O)OC(C)C)CC1,CID661799,,,,0.0,,0.0,,,,,,,,,,,
CCOC(=O)C1CCN(c2nc3ccccc3nc2C(C#N)C(=O)OC(C)COC)CC1,CID661450,,,,,,,,,,0.0,,,,,,,
CCCCCCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCCCC1,CID662443,,,,,,,,0.0,,,,,0.0,,,,
CCOC(=O)C1CCCN(c2nc3ccccc3nc2C(C#N)C(=O)OCCOC)C1,CID660578,,,,,,,0.0,,,,,,,,,,
CCOC(=O)C1CCN(c2nc3ccccc3nc2C(C#N)C(=O)OCCOC)CC1,CID661608,,0.0,,,,0.0,0.0,,,,,,,,,,
Cc1nc2ccccc2nc1N1CCCCC1,CID238491,,,,0.0,,,,,,0.0,,,0.0,,0.0,,
CCOC(=O)C1CCCN(c2nc3ccccc3nc2C(C#N)C(=O)OC(C)COC)C1,CID660411,,,,,,,0.0,,,,,,0.0,,,,
COC(=O)C1CCN(c2nc3ccccc3nc2C(C#N)C(=O)OCC(C)C)CC1,CID662088,,,,,,,,,,0.0,,,,,,,
Cc1nc2ccccc2nc1N1CCC(C)CC1,CID869793,,,,,,,0.0,,,,,,,,,,
CCC(C)COC(=O)C(C#N)c1nc2ccccc2nc1N1CCCCC1,CID662662,,,0.0,,,1.0,,0.0,,,,,0.0,,0.0,,
CNC(=O)N(C1=NCC(C)(C)S1)c1ccc(F)c(Cl)c1,CID2817610,,,,,,,,,,,,,0.0,,,,
CC1(C)CSC(Nc2ccc(F)c(Cl)c2)=N1,CID2423958,,,,,,,,,,,,,,,0.0,,
CC(=O)c1cccc(NC2=NCC(C)S2)c1,CID3612852,,,,,0.0,,0.0,,,0.0,,,,,,,
Cc1ccccc1NC1=NCC(C)S1,CID2802273,,,,0.0,0.0,,,,,,,,,,,,
CNC(=O)N(C1=NCC(C)S1)c1ccc(F)cc1F,CID2970179,,0.0,,0.0,0.0,,0.0,,,0.0,,,,,,,0.0
CC1CN=C(Nc2ccc(N(C)C)cc2)S1,CID659068,,,,,,0.0,,,,,,,,,,,
CCOC(=O)C(=CNc1ccc(NC2=NCC(C)S2)cc1)C(=O)OCC,CID389166,,,,,,,,,,,,,,0.0,,,
COc1ccc(Cl)cc1NC1=NCC(C)S1,CID658966,,,0.0,,,,,,,0.0,,,,,,,
CC1(C)CN=C(Nc2ccccc2C(F)(F)F)S1,CID3245829,,,,0.0,,,,,,,,0.0,,,,,
CC1(C)CN=C(Nc2ccc(F)c(F)c2)S1,CID389118,,,,,,,,,,,,,,,,,0.0
CC1CN=C(Nc2ccccc2)S1,CID383595,,,,,0.0,,,,,,,,,,,,
CN(c1cccc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1)S(C)(=O)=O,CID989227,,,,,0.0,,,,,,,,,,,,
CCC(C)NC(=O)c1ccccc1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O,CID3154685,,,,,0.0,,,0.0,0.0,,0.0,,,,,,
CCOC(=O)c1ccccc1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O,CID1084116,,,,0.0,0.0,,,,,0.0,,,,,,,
COc1ccc(C)cc1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O,CID3154522,,,0.0,0.0,,,0.0,,0.0,,,,0.0,,,0.0,
COc1ccc(OC)c(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1,CID1150234,,,,,,,,0.0,,,,,0.0,,,0.0,
COC(=O)c1ccccc1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O,CID1082880,,,0.0,,0.0,,,,,0.0,,,,,,0.0,
CN(C(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1C(=O)O,CID1299482,,,,0.0,0.0,,,,,0.0,,,0.0,,,0.0,
O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccccc1,CID677934,,,,,,,,,0.0,,,0.0,,,0.0,,
COC(=O)c1ccc(C)c(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1,CID1085631,,,,0.0,0.0,,0.0,,,,,,,,,0.0,
CSc1cccc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1,CID1085635,,,0.0,,0.0,0.0,,,0.0,0.0,,0.0,,0.0,,,
CCc1cccc(C)c1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O,CID3154521,,0.0,,0.0,,,,,0.0,,0.0,,,,,,
Cc1nc(=O)c(-c2ccccc2)c(C)n1-c1ccc(O)c(C(=O)O)c1,CID887949,,,0.0,,,,,0.0,0.0,0.0,,,,0.0,,,
COc1ccc(-n2c(C)nc(=O)c(-c3ccccc3)c2C)cc1,CID779663,,,,,,,,,0.0,,0.0,0.0,,,0.0,,
Cc1nc(=O)c(-c2ccccc2)c(C)n1-c1cccc(C(=O)O)c1,CID658372,0.0,,,,,,0.0,0.0,0.0,,,,0.0,0.0,0.0,,
Cc1nc(=O)c(-c2ccccc2)c(C)n1-c1ccccc1O,CID654882,0.0,,,,0.0,,0.0,,,,0.0,,0.0,,,,
Cc1nc(=O)c(-c2ccccc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1,CID665275,0.0,,,0.0,0.0,,,0.0,0.0,,,,,0.0,,,0.0
COC(=O)c1ccc(-n2c(C)nc(=O)c(-c3ccccc3)c2C)cc1,CID379772,,,,,,,,,,,0.0,,,,,,
Cc1nc(=O)c(-c2ccccc2)c(C)n1-c1ccc(O)cc1,CID781084,,,,,,,,,,,0.0,,,,,,
COc1ccccc1-n1c(C)nc(=O)c(-c2ccccc2)c1C,CID752844,0.0,,,,,,0.0,0.0,0.0,,,,0.0,,0.0,,0.0
CC(=O)Nc1ccc(-n2c(C)nc(=O)c(-c3ccccc3)c2C)cc1,CID660997,0.0,0.0,,0.0,,,0.0,,,0.0,0.0,,0.0,,,,0.0
Cc1nc(=O)c(-c2ccccc2)c(C)n1-c1ccccc1C(=O)O,CID752847,,,,,,,,,,,,,0.0,,,,
Cc1nc(=O)c(-c2ccccc2)c(C)n1-c1ccc(C(=O)O)cc1,CID777101,0.0,,,,,0.0,,,0.0,,,0.0,0.0,0.0,,,0.0
Cn1c(Cl)cnc1C(O)c1ccccc1,CID650470,0.0,0.0,,,,,0.0,,,,,,,,,,
COc1ccc(C(O)c2nccn2C)cc1,CID2858297,,,,,,,,,,0.0,0.0,,,,0.0,,
Cn1c(C(O)c2ccc(Cl)cc2)nc(Cl)c1Cl,CID658852,,,,,,,,,,,,0.0,,,,,
Cn1cc(Cl)nc1C(O)c1ccccc1,CID661604,0.0,0.0,0.0,,,,0.0,,,0.0,,,,,,,0.0
CCn1ccnc1C(O)c1cccc(OC)c1OC,CID2881154,,,,,,,,,,,,,0.0,0.0,0.0,,
Cn1ccnc1C(O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1,CID2850239,,,,,,,,0.0,,,,,,,,,0.0
Cn1c(C(O)c2ccccc2)nc(Cl)c1Cl,CID2859054,,0.0,,,,,,,,,,,,,,,
CCn1ccnc1C(O)c1ccccc1OC,CID3131357,,,,,,,,,,0.0,,,,,,,
Cn1c(C(O)c2ccccc2F)nc(Cl)c1Cl,CID646450,,,,,,,,,,,,0.0,0.0,,,,
CCn1ccnc1C(O)c1cccc(OC)c1,CID2890946,,,,,,,,,,,,,,,,0.0,
CCn1ccnc1C(O)c1ccc(N(C)C)cc1,CID648921,,,,,,0.0,,0.0,,,0.0,0.0,,,,,
CC(NS(C)(=O)=O)C(c1cccs1)N1CCN(c2ccccc2)CC1,CID3240915,,0.0,,,0.0,,,,0.0,0.0,,,,,,,
CCC(=O)NC(C)C(c1cccs1)N1CCN(c2ccccc2)CC1,CID3240113,,,,,,,,,,,0.0,,,,,0.0,
CC(=O)NC(C)C(c1cccs1)N1CCN(c2ccccc2)CC1,CID3239304,,,,0.0,,,0.0,0.0,,,0.0,,,,,,
CCOc1ccccc1N1CCN(Cc2ccc(Br)s2)CC1,CID1067975,,,,,,,,,,,,,,,,0.0,0.0
COc1ccccc1N1CCN(Cc2ccc(Br)s2)CC1,CID1376848,,,,,,,,,0.0,,,,,0.0,,0.0,
CC(NS(C)(=O)=O)C(c1cccs1)N1CCN(c2ccc(F)cc2)CC1,CID3245628,,,0.0,,0.0,,0.0,,,,,,,,0.0,,
CC(C)C(=O)NC(C)C(c1cccs1)N1CCN(c2ccccc2)CC1,CID3243532,,,,,,,,0.0,,,,,,,,,
CC(NS(C)(=O)=O)C(c1cccs1)N1CCN(c2ccccc2F)CC1,CID3245035,,,,,0.0,,,,,,,,,,,,
COc1ccc(N2CCN(Cc3ccc(Br)s3)CC2)cc1,CID1376847,,,,,,,,,0.0,,,,,,,,
CCCC(=O)NC(C)C(c1cccs1)N1CCN(c2ccccc2)CC1,CID3242770,,,0.0,,,,,0.0,,,,,,0.0,,,
COc1ccccc1N1CCN(Cc2cccs2)CC1,CID763703,,,,,,,,,,,0.0,,,,0.0,,
COc1ccccc1NC(=O)CSc1ncn[nH]1,CID2254375,,0.0,,0.0,,0.0,,,,0.0,,,,,,,
COC(=O)c1ccc(Cl)c(NC(=O)CSc2ncn[nH]2)c1,CID1255917,0.0,0.0,,,,,0.0,,,,,,0.0,,,,
O=C(CSc1ncn[nH]1)Nc1ccc(Br)cc1F,CID2343370,0.0,,,,,,,,0.0,,,,,,,0.0,0.0
Cc1cccc(C(C)C)c1NC(=O)CSc1ncn[nH]1,CID2365094,,,,0.0,,,,0.0,,0.0,0.0,,0.0,,,,
COC(=O)c1cccc(NC(=O)CSc2ncn[nH]2)c1,CID2238286,,0.0,,,,,0.0,,,,,0.0,,,,0.0,
COC(=O)c1ccccc1NC(=O)CSc1ncn[nH]1,CID877813,,,,,,0.0,,,,,,,,,,,
O=C(CSc1ncn[nH]1)Nc1c(F)cc(F)cc1Br,CID2411392,,,,,,,,,0.0,,,,,,,,
CCc1cccc(C)c1NC(=O)CSc1ncn[nH]1,CID2295983,,,,,,,,,,,0.0,,,,,,
CCc1ccccc1NC(=O)CSc1ncn[nH]1,CID718726,,,,0.0,,,,,,0.0,,0.0,0.0,,,0.0,
CC(=O)Nc1ccc(NC(=O)CSc2ncn[nH]2)cc1,CID2223265,,,,,,,,,,,,0.0,,,,,
O=C(CSc1ncn[nH]1)Nc1ccccc1C(=O)O,CID654831,0.0,,,,,,,,,0.0,0.0,0.0,0.0,,,0.0,
COc1cc(C2NC(=O)NC(c3ccccc3)=C2C(C)=O)ccc1OCC#N,CID2959925,,,,,,,,,0.0,,,0.0,,,,0.0,0.0
CCCOc1ccc(C2NC(=O)NC(c3ccccc3)=C2C(C)=O)cc1OCC,CID2981472,,,,,,,,,0.0,,,0.0,,,,,
CCOC(=O)C1=C(c2ccccc2)NC(=O)NC1c1ccc(O)c(OCC)c1,CID4327830,,,,,,,,,,,,,,,0.0,,
COc1cc(C2NC(=O)NC(c3ccccc3)=C2C(C)=O)ccc1OCC(=O)O,CID2962503,,,,,,,0.0,,0.0,,,,,,,,
COC(=O)COc1ccc(C2NC(=O)NC(c3ccccc3)=C2C(C)=O)cc1OC,CID3157847,,,,,,0.0,,,0.0,,,,,,,,
COc1cc(C2NC(=O)NC(c3ccccc3)=C2C(C)=O)cc(Cl)c1OCC(=O)O,CID2943284,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C1=C(c2ccccc2)N(C)C(=O)NC1c1ccc(OC(F)F)c(OC)c1,CID3244421,,,,,,,,,,0.0,0.0,,,,0.0,,
CC(=O)C1=C(c2ccccc2)NC(=O)NC1c1ccccc1OCC#N,CID2962523,,,,,0.0,,0.0,0.0,,,0.0,0.0,,,,0.0,0.0
CCOC(=O)C1=C(c2ccccc2)NC(=O)NC1c1ccc(N(C)C)cc1,CID3435090,0.0,,,,,0.0,,,,,,,0.0,,,,
CCOC(=O)C1=C(c2ccccc2)NC(=O)NC1c1ccc(OCC#N)c(OC)c1,CID647584,,,,,,0.0,,,0.0,0.0,,,0.0,,,,
CCOC(=O)C1=C(c2ccccc2)N(C)C(=O)NC1c1ccc(O)c(OC)c1,CID3238905,,,,,,0.0,,,0.0,0.0,,0.0,,,,,
NC(=O)c1ccc(-n2nnnc2SCc2ccc(F)cc2)cc1,CID661053,0.0,0.0,,,,,,,,,,,0.0,,,,
O=C(O)c1ccc(-n2nnnc2SCc2ccccc2F)cc1,CID700564,0.0,0.0,,,0.0,,,,,,,,,,,0.0,
Cc1cccc(CSc2nnnn2-c2ccccc2)c1,CID877459,,,,,,0.0,,,,0.0,,,,,,,
COc1ccccc1-n1nnnc1SCc1ccccc1,CID864192,0.0,,,0.0,,,0.0,,,,0.0,,,0.0,,0.0,
COC(=O)c1ccc(-n2nnnc2SCc2ccccc2OC)cc1,CID661404,0.0,,,0.0,,0.0,0.0,,,,,,,,,0.0,
CSc1ccccc1-n1nnnc1SCc1ccccc1,CID2209150,0.0,0.0,,,0.0,,0.0,,,,0.0,,0.0,0.0,0.0,,
NC(=O)c1ccc(-n2nnnc2SCc2ccccc2)cc1,CID661352,,0.0,,,,,,,,0.0,,,,,0.0,,
COc1ccc(CSc2nnnn2-c2ccccc2)cc1,CID773480,,,,,,0.0,,,,,0.0,,,,0.0,,
COc1cc(CSc2nnnn2-c2ccc(C)cc2)cc(OC)c1OC,CID992688,,,,,0.0,,0.0,0.0,,,0.0,,0.0,,,0.0,
Clc1ccccc1CSc1nnnn1-c1ccccc1,CID673930,,,,,,0.0,,,,,,,,,,,
O=C(O)c1cccc(-n2nnnc2SCc2ccccc2Cl)c1,CID713702,,,,,,,,,,,,,,,0.0,,
C/C(NC1CCCC1)=C(/C#N)C(N)=O,CID662580,,0.0,,0.0,,,,0.0,,,,0.0,,,0.0,,
CCCCCC(O)/C=C/C1C(O)CC(O)C1CCCCCCC(=O)O,CID5280939,,,,,,,,,,0.0,,,,,,0.0,
CCN(CC)C(=O)C1CCC(C)(C(=O)O)C1(C)C,CID652114,,,,,,,,0.0,,0.0,,,,,,,
CC(SC1CCCC1)C(=O)NC(C)(C#N)C(C)C,CID3000009,,,0.0,,,,0.0,,,,,0.0,,,,,
CCC(C)NC(=O)C(=O)NC1CCCC1,CID2943640,,,,,,,,,,,,,,,0.0,,
CCCCNC(=S)NC1CCCC1,CID1975194,,,,,,,,,,,,,,0.0,,,
C/C(N)=C(/C#N)C(=O)COC(=O)CC1CCCC1,CID5742581,,,,,,,,,,0.0,,,0.0,,,,
C/C(N)=C(/C#N)C(=O)COC(=O)CCC1CCCC1,CID6046435,,,,,,,,,,0.0,,,,,,,
CC(C)(C)NC(=O)C1CCC(C)(C(=O)O)C1(C)C,CID2836236,,,,0.0,,,0.0,,,,,0.0,,,,,
CC(C)C(NC(=O)NC1CCCC1)C(=O)O,CID664805,,0.0,0.0,,,,,,,,,,0.0,,,0.0,
CCCCNC1C(CC)C(CCC)C(C#N)(C#N)C1(C#N)C#N,CID659303,,,,,,,,,,0.0,,,,,,,
COC(=O)c1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1,CID1356027,,,,,,0.0,,,,,,,,,,,
Cc1ccc(/C=C2\SC(=S)N(c3cccc(C)c3C)C2=O)cc1,CID1576504,,,,,,0.0,,,,,,,,,,,
CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1O,CID1391106,,,,,,0.0,,,,,,,,,,,
COc1ccccc1N1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S,CID1575651,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3C(=O)O)SC2=S)cc1,CID2302950,,,,,,0.0,,,,,,,,,,,
COc1ccc(/C=C2\SC(=S)N(c3cccc(C)c3C)C2=O)cc1OC,CID1555674,,,,,,0.0,,,,,,,,,,,
COc1ccccc1/C=C1\SC(=S)N(c2ccc(F)cc2)C1=O,CID1355875,,,,,,0.0,,,,,,,,,,,
O=C1/C(=C/c2ccccc2Cl)SC(=S)N1c1ccc(O)cc1,CID1369626,,,,,,0.0,,,,,,,,,,,
COc1cccc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)c1,CID1575342,,,,,,0.0,,,,,,,,,,,
COc1cccc(N2C(=O)/C(=C/c3ccccc3Cl)SC2=S)c1,CID1590482,,,,,,0.0,,,,,,,,,,,
O=C1/C(=C/c2cccc([N+](=O)[O-])c2)SC(=S)N1c1ccc(F)cc1,CID1207877,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC(=O)CSc2nc3c(c(=O)n2-c2ccc(C)cc2)SCC3)c(OC)c1,CID2155192,,,0.0,,,,,,,,0.0,,0.0,,0.0,,
COc1ccc(NC(=O)CSc2nc3c(c(=O)n2-c2ccccc2)SCC3)c(OC)c1,CID2155121,,,,,0.0,,,,,0.0,,,,,,,
COc1ccc(NC(=O)CSc2nc3c(c(=O)n2-c2ccc(F)cc2)SCC3)c(OC)c1,CID3239306,,,,,0.0,,,,,,0.0,,0.0,,,0.0,
CCOc1ccc(-n2c(SCC(=O)Nc3ccc(OC)cc3OC)nc3c(c2=O)SCC3)cc1,CID3236470,,,,,,,,,,,0.0,,,,,,
COc1ccc(-n2c(SCC(=O)Nc3ccccc3)nc3c(c2=O)SCC3)cc1,CID2155300,0.0,,,0.0,0.0,0.0,0.0,,0.0,0.0,0.0,,,0.0,,,0.0
COc1ccccc1-n1c(SCC(=O)Nc2cccc(C)c2)nc2c(c1=O)SCC2,CID4535213,,,0.0,,0.0,0.0,,,,,,,,,,,
CCOC(=O)c1ccc(NC(=O)CSc2nc3c(c(=O)n2-c2ccccc2OC)SCC3)cc1,CID5055528,,,,,0.0,,,,,,,,0.0,,,,
COc1ccc(NC(=O)CSc2nc3c(c(=O)n2-c2ccc(F)cc2)SCC3)cc1,CID3419799,,,,,0.0,,,,,,,,0.0,,,,
CCOc1ccc(NC(=O)CSc2nc3c(c(=O)n2-c2ccccc2OC)SCC3)cc1,CID5226939,,0.0,,,,,,,,,0.0,,,,,,
CCOc1ccc(-n2c(SCC(=O)Nc3ccc(OC)cc3)nc3c(c2=O)SCC3)cc1,CID3236493,,,,,,,0.0,,,0.0,0.0,,,,,,
COc1ccccc1-n1c(SCC(=O)Nc2ccc(F)cc2)nc2c(c1=O)SCC2,CID2155253,,,0.0,,0.0,,,,,,0.0,,,0.0,,,
Cc1ccc(CSc2nnc(-c3ccco3)n2N)cc1,CID663084,0.0,0.0,,0.0,0.0,,0.0,,,,,,,,,0.0,
Nn1c(SCc2ccccc2)nnc1-c1ccco1,CID763501,,0.0,,0.0,,,0.0,,,,0.0,,,,,,
CCn1c(SCc2c(F)cccc2Cl)nnc1-c1ccco1,CID937133,,0.0,0.0,,0.0,,,,,,,,,,,,0.0
Cn1c(SCc2ccccc2)nnc1-c1ccco1,CID857218,,,,,,,,,,,,,,,0.0,,
CCn1c(SCc2cccc(OC)c2)nnc1-c1ccco1,CID662913,0.0,0.0,,0.0,0.0,,0.0,0.0,,,0.0,,,,,0.0,
Cn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1ccco1,CID662248,0.0,,,,0.0,,,0.0,,,,,,,,,
Cc1cccc(CSc2nnc(-c3ccco3)n2C)c1,CID663152,0.0,0.0,,,0.0,0.0,0.0,,,,,,,,,0.0,
Nn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1ccco1,CID663140,0.0,0.0,,,0.0,,,0.0,,,,,,,,0.0,0.0
C=CCn1c(SCc2c(F)cccc2Cl)nnc1-c1ccco1,CID662724,0.0,,,,0.0,,,,,,,,,,,,
CCn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1ccco1,CID662426,0.0,,,,0.0,,,0.0,,,,,,,,,0.0
COc1cccc(CSc2nnc(-c3ccco3)n2C)c1,CID662459,0.0,,,0.0,0.0,0.0,0.0,,,,,,0.0,0.0,0.0,0.0,
CC(C)CCn1c(N2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C,CID663089,0.0,,,,,,,,,,,,,,,,
COCCn1c(N2CCN(c3ccc(OC)cc3)CC2)nc2c1c(=O)n(C)c(=O)n2C,CID663594,0.0,0.0,,,,,,,,,,,,,,,
CCCCCCCCn1c(N2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C,CID3793971,,,,,,,,,,,0.0,,,,,,
CCCCCCn1c(N2CCN(c3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C,CID659501,0.0,,,,,,,,,0.0,,,,,0.0,0.0,0.0
CCOCCn1c(N2CCN(c3ccc(OC)cc3)CC2)nc2c1c(=O)[nH]c(=O)n2C,CID653032,0.0,0.0,,0.0,,,0.0,,,0.0,,,,,,0.0,
COCCn1c(N2CCN(c3ccc(OC)cc3)CC2)nc2c1c(=O)[nH]c(=O)n2C,CID647141,,,,,,,,,,,,,,,,0.0,
CCCCCCn1c(N2CCN(c3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C,CID663013,0.0,0.0,0.0,,,,,,,,,,,,,0.0,
CCCCCn1c(N2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C,CID663042,0.0,0.0,,,,,,,,,0.0,,,,,,
CCOCCn1c(N2CCN(c3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C,CID650833,,0.0,,,,,,,,0.0,,,,,,,
CCOCCn1c(N2CCN(c3ccc(OC)cc3)CC2)nc2c1c(=O)n(C)c(=O)n2C,CID664997,0.0,0.0,,0.0,,,,,,0.0,,,,,,,
CCCCCCn1c(N2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C,CID663057,0.0,,0.0,,,,0.0,,,,,,0.0,,,,
C=CCOc1ccc(C2/C(=C(\O)c3c(C)[nH]c(C(=O)OC)c3C)C(=O)C(=O)N2CCN(C)C)cc1,CID5389804,,,0.0,,,,,,0.0,,,,,,,,
COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)C2c2cc(OC)ccc2OC)c1C,CID5389803,,,,,,,0.0,0.0,,,,,,,,,
CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2c(C)[nH]c(C(=O)OC)c2C)C1c1cccc(OC)c1,CID5389586,,0.0,,,,,,,,,,,,,,,
CCOc1ccc(C2/C(=C(\O)c3c(C)[nH]c(C(=O)OC)c3C)C(=O)C(=O)N2CCN(C)C)cc1,CID5389716,,,,,,0.0,,0.0,,,,,,,,,
CCCOc1ccc(C2/C(=C(\O)c3c(C)[nH]c(C(=O)OC)c3C)C(=O)C(=O)N2CCN(C)C)cc1,CID5389873,,,,,,0.0,,,,,,,,,,,
COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)C2c2ccc(OC)cc2)c1C,CID5389742,,,0.0,0.0,,0.0,,,,,,,,,,,
COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)C2c2cccc(OC)c2OC)c1C,CID5389709,,,,,,,,0.0,,,,,,,,,
CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2c(C)[nH]c(C(=O)OC)c2C)C1c1ccc(OC)cc1,CID5389526,,0.0,,,,0.0,0.0,0.0,,,,,,,,,
COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)C2c2ccccc2OC)c1C,CID5389796,,,,,,,0.0,,,,,,,0.0,,0.0,
CCOC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)C2c2cccc(OC)c2OC)c1C,CID5389751,,,,,,,,0.0,,,,,0.0,,,,
CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2c(C)[nH]c(C(=O)OC)c2C)C1c1ccccc1,CID5389522,,,0.0,,,,,0.0,,,,,,,,0.0,
C=CCOC(=O)C1=C(C)NC(SC)=C(C#N)C1c1cccs1,CID5094345,,,,,,0.0,,,,,,,,,,,
CC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)C1c1cccs1,CID2862283,,,,,,,,,,,,,,,0.0,,
C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1cccs1,CID2891805,,,,,,,,,,,,,,0.0,,,
C#CCSC1=C(C#N)C(c2cccs2)C(C(=O)OCC)=C(C)N1,CID660539,,,,,0.0,,0.0,,,0.0,,,,0.0,,,
CCOCCSC1=C(C#N)C(c2cccs2)C(C(C)=O)=C(C)N1,CID2862333,,,,,0.0,,,,,,0.0,,,,,,
CCSC1=C(C#N)C(c2cccs2)C(C(=O)OC)=C(C)N1,CID660966,,,0.0,,0.0,,0.0,,,0.0,,,,,,,
COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1cccs1,CID621600,,,,,,0.0,,,,,,,,,,,
CCN(CC)C(=O)CSC1=C(C#N)C(c2cccs2)C=C(C)N1,CID658008,0.0,,,0.0,0.0,,,,,0.0,,,,,0.0,,
CC(=O)C1=C(C)NC(C)=C(C(C)=O)C1c1cccs1,CID774774,,,,,0.0,,0.0,0.0,,,,,,,0.0,,0.0
CC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)C1c1sccc1C,CID2862239,,,,,,0.0,,,,,,,,,0.0,,
CC1=C(C(=O)OC(C)C)C(c2cccs2)C(C(=O)OC(C)C)=C(C)N1,CID1116476,,,,,,,,,,,,,,0.0,,,
CCC(=O)NC(Nc1sc2c(c1C(=O)OC)CCN(C)C2)(C(F)(F)F)C(F)(F)F,CID1046746,,,,,,,,,0.0,,,,,,,,
CCC(=O)Nc1sc2c(c1C#N)CC(C)(C)NC2(C)C,CID741871,,,,,,,0.0,,,,,,,0.0,,,
CC(=O)Nc1sc2c(c1C#N)CC(C)(C)NC2(C)C,CID661021,,,,,,,0.0,,,,0.0,,,,,,
CCOC(=O)C(NC(=O)CC)(Nc1sc2c(c1C(=O)OC)CCN(C)C2)C(F)(F)F,CID3237688,0.0,,,,,,,,,0.0,,,,,,,0.0
CCOC(=O)c1c(NC(=O)C(F)(OC)C(F)(F)F)sc2c1CCN(C)C2,CID632022,,,,,,,,,0.0,,,,,,,,
CCOC(=O)N1CCc2c(sc(NC(C)=O)c2C(N)=O)C1,CID3441691,,,,,,,,,,,,,,,,0.0,
CCN1CCc2c(sc(N)c2C#N)C1,CID1830672,,,,0.0,,,,,,,,,0.0,,,,
CCOC(=O)c1c(NC(=O)CN(CC)CC)sc2c1CCN(C(=O)OCC)C2,CID2816489,,,,0.0,,,,0.0,,,,,,,,,
CCC(=O)Nc1sc2c(c1C(N)=O)CCN(C(C)=O)C2,CID4583251,,,,,,,,,,0.0,0.0,,0.0,,,,
CC(C)N1CCc2c(sc(N)c2C#N)C1,CID544962,,,,,,,,,,,,,,,,0.0,
CCOC(=O)NC(Nc1sc2c(c1C(=O)OC)CCN(C)C2)(C(F)(F)F)C(F)(F)F,CID659683,,,,,,,,,0.0,,,,,,,,
COC(=O)C1=C(C)N=C2N=NNN2C1c1cc(OC)ccc1OC,CID5310818,,,0.0,,,0.0,,,,,,,,,,,
CCCCOC(=O)C1=C(C)N=C2N=NNN2C1c1ccc(OC)c(OC)c1OC,CID5771376,,,,,,,,,,,,,,,,0.0,0.0
C=CCOC(=O)C1=C(C)N=C2N=NNN2C1c1cccc(OC)c1OC,CID5771406,,,,,,,,,,,,,0.0,,,,
COC(=O)C1=C(C(C)=O)C(c2ccc(C(=O)OC)cc2)N2NN=NC2=N1,CID5294155,,,,,,,,0.0,,,,,,,,,
COC(=O)C1=C(C(C)=O)C(c2ccc(C)cc2)N2NN=NC2=N1,CID5293860,,0.0,,,,,,,,0.0,,,,,,,
C=CCOC(=O)C1=C(C)N=C2N=NNN2C1c1cc(OC)ccc1OC,CID5771349,,0.0,,,,,,,,,0.0,,,,,,
CCCCOc1ccccc1C1C(C(N)=O)=C(C)N=C2N=NNN21,CID5741354,,,0.0,,,,,,,,,,,,,,
CCCCCOC(=O)C1=C(C)N=C2N=NNN2C1c1ccc(OC)c(OC)c1OC,CID5771491,,,,,,,,,,,,,,,,0.0,
CCOC(=O)C1=C(C)N=C2N=NNN2C1c1ccc(OC)c(Br)c1,CID5309352,0.0,,,,,,,,,,,,,,,0.0,
CCOC(=O)C1=C(C)N=C2N=NNN2C1c1cccc(OC)c1OC,CID5711640,,,0.0,,,,,,,0.0,,,,,,,
CCCCN1C(=O)NC(=O)/C(=C(/C)NCCCN(C)C)C1=O,CID5389653,,,,,,0.0,0.0,,,,,,,,,,
CCCCCCN1C(=O)NC(=O)/C(=C(\C)NC)C1=O,CID5389157,,,0.0,0.0,,,0.0,,,0.0,,,,,,,
C=CCN1C(=O)NC(=O)/C(=C(/CC)NCCCO)C1=O,CID5389603,,0.0,,,,,0.0,0.0,,,,,,,,,
CCCCN1C(=O)NC(=O)/C(=C(/CC)NCCCN(C)C)C1=O,CID5389636,,,,0.0,,,0.0,,,,,,0.0,,,,
CCCCN1C(=O)NC(=O)/C(=C\NCCCN(CC)CC)C1=O,CID5389612,,,,,,,,,,,,,,,0.0,0.0,
CCCCCCN/C(C)=C1\C(=O)NC(=O)N(CCCC)C1=O,CID5389459,,,0.0,,,,,0.0,,,,0.0,,,,,
CCCCN1C(=O)NC(=O)/C(=C\NCCCN(C)C)C1=O,CID5389141,,,,,,,0.0,0.0,,,,,,,,,
CC(NCCO)=C1C(=O)N(C)C(=O)N(C)C1=O,CID5389111,,,,,,,,0.0,,,,,,,,0.0,
CCCCCCN/C(CC)=C1\C(=O)NC(=O)N(CCCC)C1=O,CID5389592,,,,,,,,0.0,,,,,,,,,
C=CCN1C(=O)NC(=O)/C(=C\NCCN(C)C)C1=O,CID5389177,,,,0.0,,,,,,,,,,,,,
Nc1ccc(Sc2cc(Cl)nc(N)n2)cc1,CID1484290,,,,,,,,,,,,,,,0.0,,
COCc1cc(Sc2ccc(Cl)cc2)nc(C)n1,CID1476798,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1cnc(SC)nc1Sc1ccccc1,CID295703,,,,,,,,,,0.0,0.0,,,0.0,0.0,,
COc1cnc(N(C)C)nc1Sc1cccc(Cl)c1,CID1479131,,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1cnc(SC)nc1Sc1ccccc1Cl,CID1484747,,,,,,,,,0.0,,,,,,,,
CCOC(=O)c1cnc(SC)nc1Sc1cc(Cl)ccc1Cl,CID1484740,,,,,,,,,,,,0.0,,,0.0,,
CCOC(=O)c1cnc(SC)nc1Sc1ccc(Cl)cc1Cl,CID1484742,,,,,,,,,,0.0,,,,,,,
CCOC(=O)CSc1ncc(OC)c(Sc2ccc(Cl)cc2)n1,CID1476314,,,,,,,,,,,,,,,0.0,,
CCOC(=O)CSc1ncc(OC)c(Sc2ccc(OC)cc2)n1,CID1476315,,,,,,,,,,,,,,0.0,,,
COc1cnc(N(C)C)nc1Sc1ccc(Cl)cc1,CID1476311,,,,,,,,,,0.0,,,,,0.0,,
COc1ccc2[nH]c(=O)c(CN(CCN3CCCC3)C(=O)Nc3ccccc3Cl)cc2c1,CID651572,,,,,0.0,,,,,,,,,,,0.0,0.0
Cc1ccc2cc(CN(CCN3CCCC3)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2c1C,CID651732,,0.0,,,,,,0.0,,,,0.0,,,,,
Cc1ccc(C)c2[nH]c(=O)c(CN(CCN3CCCC3)C(=O)Nc3cccc(Cl)c3)cc12,CID645320,0.0,,0.0,,,,,,,,,,0.0,,,0.0,
COc1ccc(NC(=O)N(CCN2CCCC2)Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)cc1,CID651215,0.0,,,,,,0.0,0.0,,,,,,,,,0.0
COc1cc2cc(CN(CCN3CCCC3)C(=O)Nc3ccccc3Cl)c(=O)[nH]c2cc1OC,CID653000,,,,,0.0,,,,,,,,,,,,
COc1cc2cc(CN(CCN3CCCC3)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2cc1OC,CID647750,,,,,,,0.0,,,,0.0,0.0,,,,,
Cc1ccc2cc(CN(CCN3CCCC3)C(=O)Nc3ccccc3)c(=O)[nH]c2c1C,CID650072,,,0.0,,,0.0,,,,,0.0,,,,,0.0,0.0
Cc1ccc(C)c2[nH]c(=O)c(CN(CCN3CCCC3)C(=O)Nc3ccc(F)cc3)cc12,CID654873,,,0.0,,,0.0,0.0,,0.0,,,,,,,,0.0
Cc1cc(C)c2cc(CN(CCN3CCCC3)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2c1,CID647631,,,0.0,,,,,,0.0,,,,,,,,0.0
COc1ccccc1NC(=O)N(CCN1CCCC1)Cc1cc2cc(C)ccc2[nH]c1=O,CID3195160,,,,,,,,,0.0,,,,,,,,
C=CCSC1=NN/C(=C2\C=Nc3ccccc32)N1CC,CID5310364,,,,,,,,,,,,,,,0.0,,
CC(C)SC1=NN/C(=C2\C=Nc3ccccc32)N1C,CID5310269,,,,,,,,,,,,0.0,,,,,
CCN1C(SC(C)C)=NN/C1=C1\C=Nc2ccccc21,CID5310279,,0.0,,,,,,,,,,,,,,,
COCCN1C(SC)=NN/C1=C1\C=Nc2ccccc21,CID5310054,,,,,,0.0,,0.0,,,,,,,,,
CCOC(=O)C(C)SC1=NN/C(=C2\C=Nc3ccccc32)N1C,CID5310320,,,,,,,,,,,,0.0,,,,,
COCCN1C(SCC(N)=O)=NN/C1=C1\C=Nc2ccccc21,CID5310458,,,0.0,,,,,0.0,,,,,,,,,
CCOC(=O)CSC1=NN/C(=C2\C=Nc3ccccc32)N1CC,CID5309993,,,,0.0,,,,,,,,,0.0,,,,
CCC(C)SC1=NN/C(=C2\C=Nc3ccccc32)N1CCOC,CID5771284,,,0.0,,,,,,,,,,,,,,
CCN1C(SC)=NN/C1=C1\C=Nc2ccccc21,CID5310531,,,0.0,,,,,,0.0,,,,0.0,0.0,,,
CCN1C(SCCC(C)C)=NN/C1=C1\C=Nc2ccccc21,CID5310157,,,,0.0,,0.0,,,,,,,,,,,
O=C(O)c1ccccc1C(=O)N1CCN(C(=O)c2ccccc2Cl)CC1,CID2050560,,,,,,,,,,,,,,0.0,0.0,,
COc1cc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)cc(OC)c1OC,CID1010280,,,,,,,,0.0,0.0,,,,0.0,,,,
O=C(c1ccccc1)N1CCN(C(=O)c2ccccc2Br)CC1,CID2568704,0.0,,,,,,,,,,,,,,,0.0,0.0
COc1cc(OC)cc(C(=O)N2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)c1,CID1148050,,,,,,,0.0,0.0,0.0,,,,,,,,
Cc1cccc(C(=O)N2CCN(C(=O)c3cccc(C)c3)C(C)C2)c1,CID2896290,0.0,,,,,,,,0.0,,,0.0,,,0.0,,
O=C(c1ccc(F)cc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1,CID1148031,,,,,,,,,,,,,,0.0,,,
COc1cc(OC)cc(C(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)c1,CID1148038,,,,,,,,0.0,,,,,,,,,
Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(C)c(C)c3)C(C)C2)cc1C,CID3243364,0.0,,0.0,,0.0,,,,,,,,,,,,
O=C(c1cccc(Cl)c1)N1CCN(C(=O)c2ccccc2F)CC1,CID660542,,,,,,,,,,,,,,,,0.0,0.0
COc1ccc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1,CID646049,,0.0,,,,,,0.0,0.0,0.0,,,,,,,
CN1C(=O)SC(Nc2ccccc2)C1=O,CID3155772,,,,,,,,,,,0.0,,,,,,
Cc1cccc(NC2SC(=O)N(CC(=O)O)C2=O)c1,CID2771085,,,,,,,,,,,,0.0,,,,,
Cc1ccc(N(CC(N)=O)C2SC(=O)N(C)C2=O)cc1,CID655035,,,,,,,,,,,,,0.0,,,0.0,0.0
O=C(O)CN(c1ccccc1)C1SC(=O)NC1=O,CID661101,,,0.0,,,,,,,,,,,,,,
CN1C(=O)SC(Nc2ccccc2C(=O)O)C1=O,CID653574,,,0.0,0.0,,,,0.0,,,0.0,,,,,,
CN1C(=O)SC(Nc2ccc(F)cc2)C1=O,CID650014,,,,0.0,,,0.0,,,,,,,,,,
Cc1ccc(N(CC(=O)O)C2SC(=O)NC2=O)cc1,CID658714,,,,,,,,,,,0.0,,,,0.0,,0.0
Cc1ccc(N(CC(N)=O)C2SC(=O)NC2=O)cc1,CID2998472,,,,,,,,,,,,,,,0.0,,
Cc1cccc(N(CC(N)=O)C2SC(=O)NC2=O)c1,CID3155756,,,,,,,,,,0.0,,0.0,,0.0,,,
COc1ccc(NC2SC(=O)N(CC(=O)O)C2=O)cc1,CID666269,,,0.0,,,,,,,,,,,,,,
CCOC(=O)CSc1nc(N)c(C(=O)Nc2ccc(N(C)C)cc2)s1,CID659614,,0.0,0.0,,0.0,,,,0.0,0.0,,,,,,,
Cc1cccc(NC(=O)c2sc(C)nc2C)c1,CID695122,,,,,,,,,,,,0.0,,,,,
Cc1cccc(C)c1NC(=O)c1sc(Cl)nc1C,CID850582,,,,,,,,,,,,,,0.0,,,
Cc1nc(C)c(C(=O)Nc2ccccc2)s1,CID88916,,,,,0.0,,,0.0,,,,,,,,,0.0
Cc1nc(NC(N)=S)sc1C(=O)Nc1ccccc1,CID949154,,,,,,,,,,0.0,,,,,,,
COc1ccc(NC(=O)c2sc(SC)nc2N)cc1,CID325656,,,,,0.0,,,,,0.0,,,,,,,
Cc1ccccc1NC(=O)c1sc(Cl)nc1C,CID850549,,,,,,,,,,,,,,0.0,,,
Cc1nc(/N=C/N(C)C)sc1C(=O)Nc1ccccc1,CID2894078,,0.0,,0.0,,,,,,,0.0,,,,0.0,0.0,0.0
COC(=O)c1ccccc1NC(=O)c1sc(N)nc1C,CID660228,,0.0,,0.0,0.0,,,0.0,,,,0.0,0.0,0.0,,,
Cc1nc(Cl)sc1C(=O)Nc1ccccc1,CID850243,,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2nc(C#N)c(NCc3ccccc3Cl)o2)cc1,CID891780,0.0,,,,,,,,,,,,,0.0,,0.0,0.0
COc1ccccc1-c1nc(C#N)c(NCc2ccc(F)cc2)o1,CID664783,,,,0.0,,,,,,,,0.0,,,,,
COc1ccc(-c2nc(C#N)c(NCc3ccccc3Cl)o2)cc1OC,CID664066,0.0,0.0,,,,,0.0,,,,,,,,,0.0,0.0
N#Cc1nc(-c2ccc(F)cc2)oc1NCc1ccccc1,CID854894,0.0,,,0.0,,0.0,,,,,,0.0,0.0,,,,
COc1ccc(-c2nc(C#N)c(NCc3ccc(C)cc3)o2)cc1OC,CID1242454,,0.0,,,,,,,0.0,0.0,,0.0,,,,,0.0
COc1ccc(CNc2oc(-c3ccccc3)nc2C#N)cc1,CID797232,0.0,,,0.0,,,0.0,,,,0.0,,0.0,,0.0,,
COc1ccc(-c2nc(C#N)c(NC(C)c3ccccc3)o2)cc1OC,CID664816,0.0,0.0,0.0,,0.0,,,,,,0.0,,,,,,0.0
N#Cc1nc(-c2ccc([N+](=O)[O-])cc2)oc1NCc1ccccc1,CID748039,,,,,,0.0,,,,,,,,,,,
COc1ccc(-c2nc(C#N)c(NCc3ccc(F)cc3)o2)cc1OC,CID664710,,,0.0,,,,,,,,,,,,,,0.0
N#Cc1nc(-c2ccccc2F)oc1NCc1ccccc1,CID892437,,,,,,0.0,0.0,0.0,,,0.0,0.0,,,,,
Cc1ccc(C)c(-n2c(SCC(N)=O)nnc2-c2ccccn2)c1,CID655820,,0.0,0.0,0.0,0.0,,0.0,,,0.0,,,,,0.0,,0.0
CCOc1ccccc1-n1c(SCC(=O)N(CC)CC)nnc1-c1ccccn1,CID656177,,,0.0,,0.0,0.0,,,,,0.0,,,,,,
Cc1ccc(-n2c(SCC(=O)OC(C)C)nnc2-c2ccccn2)cc1,CID1868418,0.0,,0.0,,0.0,,0.0,0.0,,,0.0,,0.0,,,0.0,0.0
Cc1ccc(-n2c(SCC(N)=O)nnc2-c2ccccn2)cc1,CID666077,,0.0,,,,,,,,0.0,,,,,,0.0,
CCN(CC)C(=O)CSc1nnc(-c2ccccn2)n1-c1ccc(C)c(C)c1,CID651704,,0.0,0.0,,0.0,0.0,,,0.0,,0.0,,,,,0.0,
CC(C)OC(=O)CSc1nnc(-c2ccccn2)n1-c1ccccc1,CID1867624,0.0,0.0,,,0.0,,0.0,,,,,,0.0,0.0,,0.0,0.0
Cc1cccc(-n2c(SCC(N)=O)nnc2-c2ccccn2)c1C,CID644608,,0.0,0.0,0.0,0.0,0.0,,,,0.0,0.0,,0.0,,0.0,,
COc1ccc(-n2c(SCC(=O)OC(C)C)nnc2-c2ccccn2)cc1,CID667271,0.0,0.0,,,,,,,,,0.0,,0.0,,,0.0,
Cc1ccc(-n2c(SCC(N)=O)nnc2-c2ccccn2)cc1C,CID653304,,0.0,0.0,0.0,0.0,,0.0,,,0.0,0.0,,,,,0.0,
CC(C)(C)NC(=O)CSc1nnc(-c2ccccn2)n1-c1ccccc1,CID1250985,0.0,0.0,0.0,,0.0,,,0.0,,,0.0,,,,,0.0,
CCSc1nc2sc3c(c2c(=O)[nH]1)CC(C)(CC)OC3,CID3814070,,,,,,0.0,,,,,,,,0.0,,,
CCOC(=O)Cn1c(SC)nc2sc3c(c2c1=O)CC(C)(C)OC3,CID658620,,,0.0,,0.0,,,,,,,,,0.0,0.0,,
CCSc1nc2sc3c(c2c(=O)n1CC)CC(C)(C)OC3,CID899418,,,,,,0.0,,,,,,,,,,,
CC1(C)Cc2c(sc3nc(SCC(=O)O)[nH]c(=O)c23)CO1,CID826348,,,,0.0,0.0,,0.0,,,0.0,,,,,,,
Cn1c(NN)nc2sc3c(c2c1=O)CC(C)(C)OC3,CID746517,,,,,,,,,,,,0.0,,,,,
CN(C)c1nc2sc3c(c2c(=O)n1C)CC(C)(C)OC3,CID657986,,,,0.0,,,,,,0.0,,,,,,,
CCC1(C)Cc2c(sc3nc(SCC(=O)O)[nH]c(=O)c23)CO1,CID649348,,,,,0.0,,0.0,,,,,,,,,,
CCOC(=O)CSc1nc2sc3c(c2c(=O)[nH]1)CC(C)(C)OC3,CID658743,,0.0,0.0,,0.0,,,,,0.0,,,,,,,
CCOC(=O)CSc1nc2sc3c(c2c(=O)[nH]1)CC(C)(CC)OC3,CID3127172,,,,,,0.0,,,,0.0,0.0,,,,,,
CCOC(=O)CSc1nc2sc3c(c2c(=O)n1CC)CC(C)(C)OC3,CID1357428,,,,,0.0,,,,,,,,,0.0,0.0,,
CCOc1ccc(C(=O)N2CCCCCC2)cc1,CID669390,,,,,,,0.0,,0.0,0.0,,,,,,,
COc1cc(SC)ccc1C(=O)N1CCCCCC1,CID760119,,,,,0.0,,0.0,,,,,,0.0,,,,
CCCCOc1ccc(C(=O)N2CCCCCC2)cc1,CID2233022,0.0,,0.0,,,,0.0,,0.0,,,,,,,,
Cc1cc(C)cc(C(=O)N2CCCCCC2)c1,CID912590,,,,,,,,,0.0,0.0,0.0,,,,,,
Cc1cccc(C(=O)N2CCCCCC2)c1,CID247215,,,,,,0.0,,,0.0,,,,,,,,
Cc1ccc(C(=O)N2CCCCCC2)cc1Br,CID925975,,,,,,,,,,,,0.0,,,,,0.0
CCC(CC)C(=O)Nc1cccc(C(=O)N2CCCCCC2)c1,CID974089,0.0,,,,0.0,,0.0,0.0,,,,0.0,0.0,,,,
O=C(c1cccc(C(F)(F)F)c1)N1CCCCCC1,CID1245253,,,,0.0,,,,,,,,,,,,,
Cc1c(Br)cc(C(=O)N2CCCCCC2)c(C)c1C,CID802559,,,,,,,,,,,0.0,0.0,,,,,
CC(C)C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1,CID977556,,,,,,,,,,0.0,,,,,0.0,,
Cc1cc(C)cc(NC(=O)CN(C)S(=O)(=O)c2cccc3nsnc23)c1,CID3245846,0.0,0.0,0.0,,0.0,,,,,,,,,,,0.0,
CCOc1ccc(OCC)c(NC(=O)CN(C)S(=O)(=O)c2cccc3nsnc23)c1,CID3236586,,,,,0.0,,,,,,0.0,,,,,,0.0
Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2cccc3nsnc23)cc1,CID3245497,0.0,0.0,,0.0,0.0,,0.0,,,,0.0,,0.0,,,,
CCOc1ccccc1NC(=O)CN(C)S(=O)(=O)c1cccc2nsnc12,CID3239083,,,,,0.0,,,,,0.0,,,,,,,
CN(CC(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1cccc2nsnc12,CID3240958,,,,,0.0,,,,,0.0,,,,,,,
Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2cccc3nsnc23)cc1C,CID3237933,0.0,,,0.0,0.0,0.0,,,,,,,,,,0.0,
Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2cccc3nsnc23)cc1Cl,CID3240360,,,,,,,,,0.0,,,,,,,,
CN(CC(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1cccc2nsnc12,CID3239732,,,,0.0,,,,,0.0,,,,0.0,,,,
Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2cccc3nsnc23)c1C,CID3236765,0.0,0.0,0.0,0.0,0.0,0.0,0.0,,,0.0,,,,,,0.0,
CCc1cccc(NC(=O)CN(C)S(=O)(=O)c2cccc3nsnc23)c1,CID3242128,0.0,0.0,,0.0,0.0,,,,,0.0,,,,,,0.0,0.0
COc1ccc(CNC2CCCCC2C)c(OC)c1,CID2852810,,,,,,,,0.0,,0.0,0.0,,,,,,
CN(Cc1ccc(O)cc1)C1CCCCC1,CID783013,,0.0,,,,0.0,,,,0.0,0.0,0.0,,,,,
COCCCNC(=O)CNC(=S)N(Cc1ccc(F)cc1)C1CCCCC1,CID9550555,,,,,,,,,0.0,,,,,,,,
COc1ccc(CN(C)C2CCCCC2)c(C)c1C,CID783691,,,,,,0.0,,,,,,,,,,,
COCCCNC(=O)CNC(=S)N(Cc1ccccc1F)C1CCCCC1,CID9550610,,,,,,,,,,,,,,0.0,,,
COc1cc(C)c(CNC2CCCCC2)cc1C,CID775174,,,,,,,,,,,0.0,,,,,,
CN(C)c1ccc(CN(C)C2CCCCC2)cc1,CID783530,,,,,,,,,,,,,,,,0.0,
COc1ccc(CN(C)C2CCCCC2)cc1,CID782388,,,,,,,0.0,0.0,,,,,0.0,,,,
CCOC(=O)CNC(=S)N(Cc1ccccc1F)C1CCCCC1,CID4184898,,,,,,,,,,,,,,0.0,,,
COc1ccc(CNC2CCCCC2)cc1,CID274796,,,,,,,,,,0.0,0.0,0.0,,,,,
COC(=O)Nc1ccc(S(=O)(=O)N2c3ccccc3CCC2C)cc1,CID2998844,,,,0.0,,0.0,,,0.0,,,,,,,,
Cc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1C,CID777204,,,,,,0.0,,,,,,,,,,,
COc1ccc(OC)c(S(=O)(=O)N2c3cc(F)ccc3CCC2C)c1,CID2942868,,0.0,0.0,0.0,,,,,,,,0.0,,,,,0.0
COc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)N1CCCc2ccccc21,CID1336904,,,,,,,,,,,,,,0.0,,,
CC(=O)Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1,CID720097,,0.0,,,,,,,0.0,,0.0,,0.0,,,,
COc1ccc(OC)c(S(=O)(=O)N2CCCc3ccccc32)c1,CID778296,,,,,,,0.0,,0.0,0.0,,,,0.0,,,
CCCNC(=O)NC(=O)COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCc3ccccc32)c1,CID2546975,,,,,0.0,,,,0.0,0.0,0.0,,,,,,
COC(=O)Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1,CID3236225,0.0,,0.0,0.0,,,0.0,,0.0,,,,,,,,
CS(=O)(=O)NCCOc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1,CID1811256,,,,0.0,0.0,,,,,,0.0,,0.0,,,,
Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1,CID221221,,,,,0.0,,0.0,,,,0.0,,,,,,
COc1ccc(NC2c3ccccc3C(=O)N2c2cccnc2)cc1Cl,CID5307783,0.0,0.0,,,,,0.0,,,,,,,,,,
CCc1ccccc1NC1c2ccccc2C(=O)N1c1cccnc1,CID3245509,0.0,,,0.0,,,,0.0,,,,,,,,,
COC(=O)c1ccccc1NC1c2ccccc2C(=O)N1c1cccnc1,CID5309131,0.0,0.0,,0.0,,,,,,,,,,,,,0.0
O=C1c2ccccc2C(Nc2ccccc2)N1c1cccnc1,CID6621983,,,,,,0.0,,,,,,,,,,,
COc1ccc(OC)c(NC2c3ccccc3C(=O)N2c2cccnc2)c1,CID5309008,0.0,0.0,,,,0.0,,,,,,,,,,,
CCOC(=O)c1ccc(NC2c3ccccc3C(=O)N2c2cccnc2)cc1,CID5307618,0.0,,,,,,,0.0,,,,,,,,,
CCc1cccc(NC2c3ccccc3C(=O)N2c2cccnc2)c1,CID5307225,0.0,,,,,,,0.0,,,,,0.0,,,,
O=C1c2ccccc2C(Nc2ccccc2F)N1c1cccnc1,CID5309849,,,,0.0,,,,,,,0.0,,,,0.0,,
COC(=O)c1cc(NC2c3ccccc3C(=O)N2c2cccnc2)cc(C(=O)OC)c1,CID5308563,,,,,,,0.0,,,,,,,,0.0,,
CCOc1ccccc1NC1c2ccccc2C(=O)N1c1cccnc1,CID3235771,0.0,,,,,0.0,0.0,,,,,,,,,,
COc1cc(/N=c2/ssnc2Cl)cc(OC)c1,CID715724,,,,,,,,,0.0,,,,,0.0,,,
N#Cc1ccc(/N=c2/ssnc2Cl)cc1,CID715698,,,,,,,,,0.0,,,,,0.0,,,
OCc1ccccc1/N=c1/ssnc1Cl,CID583289,,0.0,,,,,,,0.0,,,,,0.0,,,
COc1cc(/N=c2/ssnc2Cl)cc(OC)c1OC,CID715715,,,,,,,,,,,,,,0.0,,,
Cc1ccc(/N=c2/ssnc2Cl)cc1,CID715719,,,,,,,,,,0.0,,,,0.0,,,
Nc1ccccc1/N=c1/ssnc1Cl,CID715691,,,,,,,,,,,,,,0.0,,,
Clc1nss/c1=N/c1ccccc1,CID483860,,,,,,,,,,,,,,0.0,0.0,,
N#Cc1cccc(/N=c2/ssnc2Cl)c1,CID1471639,,,,,,,,,,,,,,0.0,,,
COc1ccc(OC)c(/N=c2/ssnc2Cl)c1,CID483894,,,,,,0.0,,,,,,,,,,,
COc1ccc(/N=c2/ssnc2Cl)cc1,CID826857,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(C(C)N2CC34C=CC(O3)C(C(=O)OCC(C)C)C4C2=O)cc1,CID5141879,,,,,,,,,,,,,0.0,,,,
CC(C)COC(=O)C1C2C=CC3(CN(C(C)c4ccc(Br)cc4)C(=O)C13)O2,CID3743017,,,,,,,,,,,,,,,0.0,,
COC(=O)C1C2C=CC3(CN(C(C)c4ccc(OC)cc4)C(=O)C13)O2,CID648660,,,,,,,,0.0,,,,,,,,,0.0
COc1ccc(C(C)N2CC34C=CC(O3)C(C(=O)O)C4C2=O)cc1,CID655812,,,,,,,,,,0.0,,,,,,,
CC(C)CCNC(=O)C1C2C=CC3(CN(Cc4ccccc4Cl)C(=O)C13)O2,CID4248226,,,,0.0,,,,,,,,,,,0.0,,0.0
CCCOC(=O)C1C2C=CC3(CN(C(C)c4ccc(OC)cc4)C(=O)C13)O2,CID5389853,,,,,,,,0.0,,,,,0.0,,0.0,,
CCCCNC(=O)C1C2C=CC3(CN(Cc4ccccc4Cl)C(=O)C13)O2,CID3244702,,0.0,,,,,,,,,,,,,,,
CCOC(=O)C1C2C=CC3(CN(C(C)c4ccc(OC)cc4)C(=O)C13)O2,CID5389700,,,,,,,,,,,,,0.0,,,,
CCCCNC(=O)C1C2C=CC3(CN(Cc4ccc(C)cc4)C(=O)C13)O2,CID3241940,,,0.0,,,,,,,0.0,,,,,,,0.0
CCCCOC(=O)C1C2C=CC3(CN(C(C)c4ccc(OC)cc4)C(=O)C13)O2,CID5389831,,,,,,,,,,,,0.0,,,,0.0,
CCc1ccc(NC(=S)NCc2ccccc2)cc1,CID2093562,,,,,,,,,,,,,,,0.0,,
Cc1ccc(CNC(=S)Nc2ccc(C)c([N+](=O)[O-])c2)cc1,CID970622,,,,,,,,,,,,,,0.0,,,
COc1ccc(CNC(=S)Nc2cc(C)cc(C)c2)cc1,CID800583,,,,,,,,,,,,0.0,,,0.0,,
S=C(NCc1ccc(Cl)cc1)Nc1ccccc1Cl,CID883292,,,,,,,,,,,,,,,0.0,,
CCCCc1ccc(NC(=S)NCc2cccc(OC)c2)cc1,CID2195963,,,,,,,,,,,,,,,0.0,,
COc1ccc(CNC(=S)Nc2ccc(OC)cc2)cc1,CID878585,,,,,,,,,,,,,,0.0,,,
COc1ccc(CNC(=S)Nc2ccccc2C)cc1,CID886368,,,,,,,,,,,,0.0,,,,,
COC(=O)c1cc(NC(=S)NCc2ccc(Cl)cc2)cc(C(=O)OC)c1,CID1944452,,,,,,,,,,,,,,0.0,0.0,,
CCCN(Cc1ccccc1)C(=S)Nc1ccc(OCC)cc1,CID2453513,,,,,,,,,,,,,,,0.0,,
COc1ccc(CNC(=S)Nc2cccc(C)c2)cc1,CID882838,,,,,,,,,,,,0.0,,,,,
COc1ccc(-c2noc(Cc3ccc(Cl)cc3)n2)cc1OC,CID926667,,,,,,,,,,,,,,,,,0.0
COc1ccc(Cc2nc(-c3cccc(C)c3)no2)cc1,CID705839,,,,,,,,,0.0,0.0,,,,,,,
Cc1ccc(Cc2nc(-c3cccc(C)c3)no2)cc1,CID895051,,,,,,,,,,,,,0.0,,0.0,,
Cc1cccc(-c2noc(Cc3ccc(Cl)cc3)n2)c1,CID1259459,,,,,,,,,,,,,0.0,,,,0.0
COc1ccccc1Cc1nc(-c2ccc(C)cc2)no1,CID750622,,,,0.0,,,0.0,,0.0,,,,,,,,
COc1ccc(-c2noc(Cc3ccccc3OC)n2)cc1,CID803002,0.0,,,,,,,,0.0,,,,0.0,,,,
COc1ccc(Cc2nc(-c3ccc(Cl)cc3)no2)cc1,CID1121117,,,,0.0,,,,,,,,,0.0,,,0.0,0.0
COc1ccc(Cc2nc(-c3ccc(Br)cc3)no2)cc1,CID695697,0.0,,,,,,0.0,,0.0,,,,,,,,0.0
COc1ccc(Cc2nc(-c3ccccc3)no2)cc1,CID957143,0.0,,,,,,,0.0,,,,,,,0.0,0.0,
Cc1cccc(-c2noc(Cc3ccccc3)n2)c1,CID1121526,0.0,,0.0,,,0.0,0.0,,,,,,,,,0.0,
CCOC(=O)c1ccc(N2C(=O)C(C)=C(C)C2=O)cc1,CID2341961,,,,0.0,,0.0,,0.0,,,,,,,0.0,0.0,
CCOC(=O)c1ccc(N2C(=O)C=CC2=O)cc1,CID286520,,,,,,,,,0.0,0.0,0.0,,,0.0,,,
Cc1ccc(N2C(=O)C(Cl)=C(NCCO)C2=O)c(C)c1,CID1560352,0.0,,,0.0,,,0.0,,,0.0,,,,,,0.0,
C=CCNC1=C(Cl)C(=O)N(c2cccc(Cl)c2Cl)C1=O,CID1560351,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1cccc(N2C(=O)C=CC2=O)c1,CID880062,,,,,,0.0,,,,,,,,,,,
Cc1ccc([N+](=O)[O-])cc1N1C(=O)C=CC1=O,CID708370,,,,,,0.0,,,,,,,,,,,
COC(=O)c1cccc(N2C(=O)C=CC2=O)c1,CID1520820,,,,,,0.0,,,,,,,,,,,
COc1ccc(N2C(=O)C=CC2=O)cc1,CID236788,,,,,,0.0,,,,,,,,,,,
C=CCNC1=C(Cl)C(=O)N(c2ccccc2Cl)C1=O,CID1554889,,,,,,,,,0.0,0.0,,,,0.0,,,
Cc1ccc(N2C(=O)C=CC2=O)cc1[N+](=O)[O-],CID872702,,,,,,0.0,,,,,,,,,,,
O=C1c2ccccc2C(O)N1Cc1ccccc1Cl,CID5307375,0.0,0.0,,,,,,,,,0.0,,,,,0.0,
CCC(C)NC(=O)C1c2ccccc2C(=O)N1Cc1ccccc1OC,CID3239683,,,,0.0,,,,0.0,,,,,,,,,
O=C(O)C(c1ccccc1)N1Cc2ccccc2C1=O,CID5308032,,,,,,,,,,,,,,,,0.0,
CC1(O)c2ccccc2C(=O)N1Cc1ccccc1,CID650824,,0.0,,,,,,,0.0,,,,0.0,,,0.0,0.0
O=C(O)CSC1c2ccccc2C(=O)N1Cc1ccccc1,CID2998770,,,0.0,,,0.0,0.0,,0.0,,0.0,0.0,0.0,,,,0.0
CC(c1ccccc1)N1C(=O)c2ccccc2C1O,CID9550759,,,,,,0.0,,,,,,,,,,,
CCC(C)NC(=O)C1c2ccccc2C(=O)N1Cc1cc(OC)ccc1OC,CID3240863,,,,,0.0,,,0.0,,,,,,,,,0.0
O=C1c2ccccc2C(O)N1Cc1ccccc1,CID3240743,,,,,,,,,0.0,,,,,,,,0.0
CC(=O)OC1c2ccccc2C(=O)N1Cc1ccccc1Cl,CID5307599,,,,,,,0.0,,,0.0,,,,,,0.0,0.0
CCC(C)NC(=O)C1c2ccccc2C(=O)N1Cc1ccc(OC)cc1OC,CID9550088,,,,,,,,,,0.0,,0.0,,,,,
Cc1nn(CC#N)c(=O)n1-c1ccccc1,CID1473443,,,,,,,,,,,,0.0,,,,,
CC(C)(C)NC(=O)CSc1n[nH]c(=O)n1-c1ccccc1,CID973443,,,,,,,,0.0,0.0,0.0,,,0.0,,,0.0,
O=c1[nH]ncn1-c1cccc(C(F)(F)F)c1,CID1480139,,,,,,,,,,,,,,0.0,,,
Cc1n[nH]c(=O)n1-c1ccc(C(C)C)cc1,CID3845232,,,,,,,,,,,,,,,0.0,,
Cc1cccc(C)c1-n1c(C)n[nH]c1=O,CID879115,,,,,,0.0,,,,,,,,,,,
CCOC(=O)Cn1nc(C)n(-c2ccc(C(C)(C)C)cc2)c1=O,CID1487796,,,,,,,,,,,,,,,0.0,,
CCOC(=O)Cn1nc(C)n(-c2ccc(Br)cc2)c1=O,CID1487802,,,,,,,,,,,,,,,0.0,,
CCOC(=O)Cn1nc(C)n(-c2ccccc2)c1=O,CID1473442,,,,,,0.0,,,,,,0.0,,0.0,,,
COc1cccc(-n2c(C)n[nH]c2=O)c1,CID3843100,,,,,,,,,,,,,,,0.0,,
CCOC(=O)Cn1nc(C)n(-c2ccc(C(C)C)cc2)c1=O,CID3617290,,,,,,0.0,,,,,,,,,,,
Cc1nc(CNS(=O)(=O)c2cccc(F)c2)cs1,CID3236819,,,,,,,0.0,,,,,,0.0,,,0.0,
COc1ccc(OC)c(S(=O)(=O)NCc2csc(C)n2)c1,CID5310239,,0.0,0.0,,,,,,,,,,0.0,,,,0.0
Cc1ccc(S(=O)(=O)NCc2csc(C)n2)c(C)c1,CID3241045,,,0.0,,0.0,,,,0.0,0.0,,,,,,,
Cc1nc(CNS(=O)(=O)c2ccccc2F)cs1,CID5310200,,,0.0,,,,,,,,,,,,,,
CCOc1ccc(S(=O)(=O)NCc2csc(C)n2)cc1,CID3236106,,,0.0,0.0,0.0,,,,0.0,,0.0,,,,,,
Cc1nc(CNS(=O)(=O)c2cc(C)c(C)cc2C)cs1,CID3238536,0.0,,,,0.0,,,,,0.0,,,0.0,,,,
CCCCOc1ccc(S(=O)(=O)NCc2csc(C)n2)cc1,CID3245366,,0.0,,,0.0,,,,,,,,,,,,
Cc1nc(CNS(=O)(=O)c2cc(F)ccc2F)cs1,CID3240550,,,,,0.0,,,,,,,0.0,,0.0,,,
CC(=O)Nc1ccc(S(=O)(=O)NCc2csc(C)n2)cc1,CID3241749,0.0,0.0,,0.0,,,,,,,,,,,,,
COc1ccc(S(=O)(=O)NCc2csc(C)n2)cc1,CID3236113,,,0.0,,,,0.0,,,0.0,,,0.0,,,,
CCN(CC)C(=O)N1CCC(NC(=O)c2ccc(C(C)(C)C)cc2)CC1,CID649798,,0.0,,,,,,,,,,0.0,,,,,0.0
CCN(CC)C(=O)N1CCC(NC(=O)c2ccccc2)CC1,CID645319,,0.0,,0.0,,,,0.0,0.0,,,,,,,0.0,
CCN1CCC(NC(=O)c2cc(OC)c(OC)cc2OC)CC1,CID1244293,,,,,,,0.0,,,,,,,,,,
Cc1cccc(C(=O)NC2CC(C)(C)NC(C)(C)C2)c1,CID650847,0.0,,,,,,,,,0.0,,,,,,,
CCOc1ccc(C(=O)NC2CCN(S(C)(=O)=O)CC2)cc1,CID645933,,,,0.0,,,0.0,,,,0.0,,,,,,
Cc1ccccc1C(=O)NC1CC(C)(C)NC(C)(C)C1,CID651523,0.0,0.0,,0.0,,,,,,,,,,,,,
COc1cc(OC)c(C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1OC,CID1089289,0.0,,,,,,,,,,,0.0,,,,,
CCOc1ccc(C(=O)NC2CCN(S(=O)(=O)CC)CC2)cc1,CID653467,,,,0.0,,0.0,0.0,,,,0.0,,,,,,
Cc1ccc(C)c(C(=O)NC2CC(C)(C)NC(C)(C)C2)c1,CID925441,0.0,,,0.0,,,,,,0.0,0.0,,,,,,
Cc1ccc(C(=O)NC2CC(C)(C)NC(C)(C)C2)c(C)c1,CID2349110,,,0.0,,,,,,,0.0,0.0,,,,,,
COc1ccc(C(=S)N2CCOCC2)cc1OC,CID825739,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(C(=S)N2CCOCC2)cc1OC,CID812277,,,,,,,,,0.0,0.0,,,,0.0,,,
CCOc1cc(C(=S)N2CCOCC2)ccc1OC,CID683264,,,,,,,,,0.0,,,,,,,,
CCOc1ccc(C(=S)N2CCOCC2)cc1OCC,CID1265734,,,,,,,,,0.0,,,,,,,,
S=C(c1ccc(Cl)cc1)N1CCOCC1,CID684261,,,,,,,,,,,,,,,,,0.0
CCOc1ccc(C(=S)N2CCOCC2)cc1,CID876830,,,,,,,0.0,,,,,,,,,,
COc1ccccc1C(=S)N1CCOCC1,CID292384,,,,,,0.0,,,,,,,,,,,
COC(=O)c1ccc(C(=S)N2CCOCC2)cc1,CID974575,,,,,,,,,0.0,,,0.0,,,,,
CN(C)c1ccc(C(=S)N2CCOCC2)cc1,CID691987,,0.0,,,,0.0,,,,,,,0.0,,,,
CN(C)c1ccc(C(=S)N2CCOCC2)cc1Br,CID685225,0.0,,,,,,,,0.0,,,,,0.0,,0.0,
CCOC(=O)c1cc2sccc2n1CC(=O)Nc1ccc(OC)c(OC)c1,CID645798,,0.0,,0.0,,,,0.0,,,,,0.0,,0.0,,
COC(=O)c1cc2sccc2n1CC(=O)Nc1cccc(SC)c1,CID3242149,,0.0,0.0,,0.0,,,,,0.0,0.0,,,,,,
COC(=O)c1cc2sccc2n1CC(=O)Nc1cc(OC)cc(OC)c1,CID3240154,,,,0.0,0.0,0.0,,,,,,,,,,,
COC(=O)c1cc2sccc2n1CC(=O)N(C)c1ccccc1,CID6623335,,,,,,,,,,,,,,,0.0,,
COC(=O)c1cc2sccc2n1CC(=O)Nc1ccc(OC)c(OC)c1OC,CID3245569,,,,,,,,,,0.0,,,0.0,,,,
CCOC(=O)c1cc2sc(C)cc2n1CC(=O)Nc1cccc(C)c1C,CID651591,,,,0.0,,,0.0,0.0,,,,,,0.0,0.0,0.0,
CCOC(=O)c1cc2sccc2n1CC(=O)Nc1ccc(OC)cc1,CID1438858,,,,,,0.0,,,,,,,,0.0,,,
COC(=O)c1cc2sc(Cl)cc2n1CC(=O)Nc1cccc(SC)c1,CID3235830,,,,,,,0.0,,0.0,,,,,,0.0,,
COC(=O)c1cc2sc(Cl)cc2n1CC(=O)Nc1ccc(OC)c(OC)c1OC,CID3239312,0.0,,,0.0,,,,,,0.0,,,,,,0.0,
CCOC(=O)c1cc2sccc2n1CC(=O)Nc1ccc(OC)cc1OC,CID651986,,,0.0,,,,,,,,,0.0,,,,,
Nc1cc(=O)nc(SCC(=O)Nc2ccccc2Cl)n1-c1ccccc1,CID4681455,,,,,,,,,,,,,,,0.0,,
COc1ccc(NC(=O)CSc2nc(=O)cc(O)n2-c2ccccc2OC)cc1,CID1379312,,,,,0.0,,,0.0,,,,,0.0,0.0,0.0,,
COc1ccccc1-n1c(O)cc(=O)nc1SCC(=O)Nc1ccccc1C,CID1379068,0.0,,0.0,0.0,0.0,,,,,,0.0,,0.0,,,0.0,
COc1ccccc1-n1c(O)cc(=O)nc1SCC(=O)Nc1ccc(C)cc1,CID1909022,,,,,,0.0,,,,,0.0,,,,0.0,,
Cc1cccc(-n2c(N)cc(=O)nc2SCC(=O)Nc2ccccc2)c1,CID3238656,,,,,0.0,,,0.0,,,,,,,,0.0,
COC(=O)c1cccc(NC(=O)CSc2nc(=O)cc(N)n2-c2ccccc2)c1,CID1304866,,,,0.0,0.0,,,,,,,,0.0,,,,
COc1ccccc1NC(=O)CSc1nc(=O)cc(O)n1-c1ccccc1OC,CID1379396,,0.0,,0.0,0.0,0.0,,,,,,,,0.0,,0.0,
CCc1c(O)n(-c2ccccc2)c(SCC(=O)Nc2ccccc2)nc1=O,CID658969,0.0,,,0.0,0.0,0.0,,0.0,,,0.0,,0.0,,,,0.0
Cc1ccc(NC(=O)CSc2nc(=O)cc(N)n2-c2ccccc2)cc1,CID1223663,,,,,,,,,,0.0,,,,,,,
Cc1ccc(NC(=O)C(C)Sc2nc(=O)cc(N)n2-c2ccccc2)cc1,CID2946221,,,,,,,,,,,0.0,,,,,,
O=C(Nc1cccc(S(=O)(=O)C(F)F)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1,CID1259409,,,,,0.0,,,,,,,,,,,,
COc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(OC)c1,CID646184,,,,,,,,0.0,,0.0,,0.0,,,,0.0,
O=C(Nc1ccccc1Cl)c1ccc(S(=O)(=O)N2CCOCC2)cc1,CID1152895,0.0,,0.0,,0.0,,,,,0.0,,0.0,,,,,
COc1cc(C)ccc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1,CID3245875,,,0.0,,,0.0,,,,,,,,,,0.0,
Cc1cc(C)c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)c1,CID1548115,,,,,,,,,,,0.0,,0.0,,,0.0,0.0
CCOc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1,CID650265,,,,,,,,,,0.0,,,,,,0.0,0.0
O=C(Nc1cccc(F)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1,CID1158578,,,,,,,,,,,,0.0,,0.0,,,
COc1ccc(C)cc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1,CID648791,,,,,,,,,,0.0,0.0,,,0.0,,0.0,
O=C(Nc1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1,CID777437,,,,,,,,,,0.0,0.0,,,0.0,0.0,,
COc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1,CID647337,,,,,,0.0,,,,0.0,0.0,,0.0,,,,
Cc1ccc2oc(=O)c3cnn(CC(=O)NCCC(C)C)c3c2c1,CID5307669,,,0.0,,,,,0.0,,,,,0.0,,,0.0,
COC(=O)C(CCSC)NC(=O)Cn1ncc2c(=O)oc3ccccc3c21,CID9550475,,,,,,,,,,,,,,,0.0,,
CCCCN(C)CCNC(=O)Cn1ncc2c(=O)oc3ccc(C)cc3c21,CID5308891,,0.0,,,,,,,,0.0,0.0,,,,,,
CCN(CC)CCCNC(=O)Cn1ncc2c(=O)oc3ccc(C)cc3c21,CID5309071,,,,,,0.0,,,,0.0,,,,,,,
CCOCCCNC(=O)Cn1ncc2c(=O)oc3ccccc3c21,CID5307334,0.0,0.0,,,,,,,,,,,,0.0,,,
COCCCNC(=O)Cn1ncc2c(=O)oc3ccccc3c21,CID3245623,,0.0,,,,,,0.0,,,,0.0,,,,,
CC(C)OCCCNC(=O)Cn1ncc2c(=O)oc3ccccc3c21,CID3241990,0.0,,,,,,,,,,,,,,,,
Cc1ccc2oc(=O)c3cnn(CC(=O)NCCCOC(C)C)c3c2c1,CID5307174,,,,0.0,,0.0,,,,,,,,,,,
Cc1ccc2oc(=O)c3cnn(CC(=O)NCCN(C)C)c3c2c1,CID5309277,,,,0.0,,,,,,0.0,,,,,,,
CCOC(=O)Cn1ncc2c(=O)oc3ccccc3c21,CID3241146,,,,0.0,,,,,,,,,,,,,
Cc1nc2cc(C(=O)O)ccc2n1C1CCCCC1,CID744874,,,,,,,,,,,,,,0.0,,,
O=C(O)c1ccc2c(c1)ncn2C1CCCCC1,CID513903,,,,,,,,,,,,,,,0.0,,
CCCCS(=O)(=O)Nc1ccc2c(c1)ncn2C1CCCCC1,CID2229966,,,,0.0,0.0,,0.0,0.0,,,,,0.0,,,,
CCN(CC)CCNC(=O)c1ccc2c(c1)ncn2C1CCCCC1,CID3244403,,,,,,0.0,,,,,,,,,,0.0,
COC(=O)Nc1ccc2c(c1)ncn2C1CCCCC1,CID713127,0.0,,,,0.0,,0.0,0.0,0.0,,,0.0,,,,0.0,
CC(=O)Nc1ccc2c(c1)ncn2C1CCCCC1,CID777771,,,,,,,,,,,0.0,,,,0.0,,
CCCCNC(=O)c1ccc2c(c1)ncn2C1CCCCC1,CID3244841,0.0,0.0,,,,,,,,,,,,,,0.0,
CC(C)CCNC(=O)c1ccc2c(c1)ncn2C1CCCCC1,CID5092614,,,,,,0.0,,,,,0.0,,,,,,
CC(O)c1nc2ccccc2n1C1CCCCC1,CID2998818,,,,,0.0,,,,,,,,0.0,,,0.0,
CCOC(=O)Nc1ccc2c(c1)ncn2C1CCCCC1,CID713250,0.0,,0.0,,0.0,,0.0,,0.0,,,0.0,,,,0.0,
Nc1cc(-c2ccccc2)nn1Cc1ccccc1,CID684746,,,,,,,,,,,,,,,0.0,,
O=C(O)/C=C/c1cn(Cc2ccccc2)nc1-c1ccccc1,CID2565969,,,,,,0.0,,,0.0,,,,,,,,
Cc1ccc(Cn2cc(C=O)c(-c3ccc(C)cc3)n2)cc1,CID2063317,,,,,,,,,,,,,,,0.0,,
Cc1ccc(-c2nn(Cc3ccccc3)cc2C=O)cc1,CID2063316,,,,,,,,,,,,,,,0.0,,
O=C(O)/C=C/c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1,CID2474351,,,,,,,,,,,,,,0.0,,,
Cc1ccc(-c2nn(Cc3ccccc3)cc2/C=C/C(=O)O)cc1C,CID2526148,,,,,,,,,0.0,,,0.0,,,,,
Cc1ccc(-c2cc(N)n(Cc3ccc(Cl)cc3)n2)cc1,CID814443,,,,,,0.0,,,,,,,,,,,
CCc1ccc(-c2nn(Cc3ccccc3)cc2/C=C/C(=O)O)cc1,CID6235451,,,,,,,,,,,0.0,,,,,,
Cc1ccc(-c2nn(Cc3ccccc3)cc2/C=C/C(=O)O)cc1,CID2463134,,,,,,0.0,,,0.0,,,0.0,,,,,
Cc1ccc(Cn2cc(/C=C/C(=O)O)c(-c3ccccc3)n2)cc1,CID6235469,,,,,,0.0,,,,,,,,,,,
COC(=O)c1ccc(NC(=O)CSc2nc3cccnc3n2C)cc1,CID3214199,,,,,,,,,,,,0.0,,,0.0,,
COC(=O)c1cccc(NC(=O)CSc2nc3cccnc3n2C)c1,CID645185,,,,,,,,0.0,0.0,,0.0,,,,,0.0,0.0
CCOC(=O)c1cccc(NC(=O)CSc2nc3cccnc3n2C)c1,CID652575,,0.0,,,,,,,0.0,,,,,,,0.0,
CCOc1ccc(NC(=O)CSc2nc3cccnc3n2CC)cc1,CID650507,0.0,0.0,,,,,,,,,0.0,,,0.0,,0.0,0.0
COc1ccc(OC)c(NC(=O)CSc2nc3cccnc3n2C)c1,CID654337,,0.0,,,,,0.0,,0.0,0.0,0.0,,,,,,
CCOc1ccc(NC(=O)CSc2nc3cccnc3n2CCOC)cc1,CID644417,,0.0,0.0,0.0,,,,,0.0,0.0,,,0.0,,,,0.0
CCOC(=O)c1ccc(NC(=O)CSc2nc3cccnc3n2C)cc1,CID3214200,,,,,,,,,0.0,,,,,,,,
CCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nc2cccnc21,CID3214223,,,,,,,,,0.0,,0.0,,,,,,
CCOc1ccccc1NC(=O)CSc1nc2cccnc2n1C,CID650019,0.0,,,0.0,,0.0,0.0,,0.0,,0.0,,,,,0.0,
CCOc1ccc(OCC)c(NC(=O)CSc2nc3cccnc3n2C)c1,CID649938,,,,,,,,,,,,,0.0,,,,
COc1cc(C(=O)NCCC2=CCCCC2)cc(OC)c1OC,CID729877,,,,0.0,,,,,,,,,0.0,,,,0.0
CS(=O)(=O)Nc1ccc(C(=O)NCCC2=CCCCC2)cc1,CID1243335,,0.0,0.0,,0.0,,,,0.0,,,,,,,0.0,
O=C(NCCC1=CCCCC1)c1ccc([N+](=O)[O-])cc1,CID675954,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(C(=O)NCCC2=CCCCC2)cc1[N+](=O)[O-],CID888375,,,,,,,,,,,,,,,0.0,,
COc1cccc(C(=O)NCCC2=CCCCC2)c1OC,CID912382,,,0.0,,,,,,,0.0,0.0,,,,,0.0,0.0
COc1ccc(C(=O)NCCC2=CCCCC2)cc1OC,CID874575,,,,,,0.0,,,,,0.0,,,,,,
COc1cccc(C(=O)NCCC2=CCCCC2)c1,CID841008,,,,,,,,,0.0,,0.0,,,,,,
Cc1c(C(=O)NCCC2=CCCCC2)cccc1[N+](=O)[O-],CID790936,,,,,,,,,,,,,,0.0,,,
O=C(NCCC1=CCCCC1)c1ccc(Cl)cc1,CID730332,,,,,,,,,,,,,,0.0,,,
Cc1cc(C(=O)NCCC2=CCCCC2)ccc1[N+](=O)[O-],CID790942,,,,,,,,,,,,,,0.0,0.0,,
CCn1c(CCNC(=O)c2ccc(F)cc2)nc2ccccc21,CID751293,,,,,,,,,,,,0.0,,,,,
CC(=O)Nc1ccc2c(c1)nc(CCNC(=O)c1ccccc1)n2C,CID666055,,,,0.0,,,,,,,,0.0,0.0,0.0,0.0,0.0,0.0
CCn1c(CCNC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21,CID3237594,,,,,0.0,,,,,,,0.0,,,,,
COc1cc(C(=O)NCCc2nc3ccccc3n2C)cc(OC)c1OC,CID3240833,,,0.0,,,,,,,,,,,,,,
COc1ccccc1C(=O)NCCc1nc2ccccc2[nH]1,CID663726,,,,0.0,,0.0,,,,,,0.0,,,,0.0,0.0
Cn1c(CCNC(=O)c2ccccc2)nc2ccccc21,CID751269,0.0,,,,0.0,,,,,,,,,,,0.0,
Cc1ccc(C(=O)NCCc2nc3ccccc3[nH]2)cc1[N+](=O)[O-],CID719776,,,,,,,,,,,,,,0.0,,,
Cn1c(CCNC(=O)c2ccc(F)cc2)nc2ccccc21,CID751279,,,,,,,,,,,,,0.0,,,,
O=C(NCCc1nc2ccccc2[nH]1)c1ccc(F)cc1,CID732397,,,0.0,,,,,0.0,,,,,,,,,
COc1ccccc1C(=O)NCCc1nc2ccccc2n1C,CID751281,,,,,0.0,0.0,,0.0,0.0,,,,0.0,,,0.0,
Fc1ccccc1N1CCN(Cc2nc(-c3ccccc3)no2)CC1,CID957413,,,,0.0,,,0.0,,0.0,,,,0.0,,,,
Clc1ccc(-c2noc(CN3CCN(c4ccccc4)CC3)n2)cc1,CID1256107,0.0,,0.0,,0.0,,,,,0.0,,,,,,,0.0
COc1ccc(N2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc1,CID2214080,,,,,,,,,,,,,,,0.0,,
Fc1ccccc1N1CCN(Cc2nc(-c3ccc(Cl)cc3Cl)no2)CC1,CID1289158,,,,,,,0.0,,,,,,,,,,
Clc1cccc(N2CCN(Cc3nc(-c4ccccc4)no3)CC2)c1,CID1299119,0.0,,0.0,,0.0,,,,,,,,,,,,0.0
COc1ccc(-c2noc(CN3CCN(c4ccccc4)CC3)n2)cc1,CID2215139,0.0,,,0.0,,0.0,,0.0,,,0.0,,0.0,,,,0.0
COc1ccc(N2CCN(Cc3nc(-c4ccc(Cl)cc4Cl)no3)CC2)cc1,CID2214373,0.0,,,,,,,,,,,,0.0,,,,
c1ccc(-c2noc(CN3CCN(c4ccccc4)CC3)n2)cc1,CID892269,0.0,0.0,0.0,,,,,,,,0.0,,,,,,0.0
COc1ccc(-c2noc(CN3CCN(c4ccccc4F)CC3)n2)cc1OC,CID1258036,,,0.0,,,,,0.0,,,0.0,,,,,,
Cc1ccc(-c2noc(CN3CCN(c4ccccc4F)CC3)n2)cc1,CID4414893,,,0.0,,,,,,,,,,,,,,
CCOc1ccc(Cn2c(=O)oc3ccc(C)cc32)cc1OC,CID648088,,,,,,,0.0,,,,,,,0.0,,,
CCCCOc1ccccc1Cn1c(=O)oc2ccccc21,CID2145488,0.0,,,,,0.0,0.0,0.0,,,,,,0.0,,,
CCCOc1ccccc1Cn1c(=O)oc2ccc(C)cc21,CID651488,,,,,,,,,,,0.0,,,,,,
COc1cc(Cn2c(=O)oc3ccc(C)cc32)ccc1OC(C)C,CID647474,0.0,,,,,,,,,,,,,,,,
COc1ccc(Cn2c(=O)oc3ccc(C)cc32)cc1OC,CID2130283,,,,,,,0.0,,,,0.0,,,,0.0,0.0,
CCCCOc1ccccc1Cn1c(=O)oc2ccc(C)cc21,CID2130281,,,0.0,,,,,0.0,,,,,,,,,
CCOc1ccccc1Cn1c(=O)oc2ccc(C)cc21,CID851212,,,,,,,,0.0,,,,,,0.0,,0.0,
Cc1ccc2oc(=O)n(Cc3ccccc3OC(C)C)c2c1,CID653055,0.0,,,,,,,,,,,0.0,,0.0,,0.0,
O=c1oc2ccccc2n1Cc1ccccc1Cl,CID829783,,,0.0,0.0,,,,,,0.0,,,,,,0.0,0.0
CCCOc1ccc(Cn2c(=O)oc3ccc(C)cc32)cc1OC,CID1819915,0.0,0.0,,,,,0.0,,,,,,,,,,0.0
Cc1ccc(C)c(OCC(=O)Nc2ccc3c(c2)OCO3)c1,CID729606,,,,,,,0.0,,,,,,,,,0.0,
Cc1ccc(C)c(OCC(=O)Nc2ccc3c(c2)OCO3)c1C,CID731180,,,,0.0,,,,,,,,,,,,0.0,
CCC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)OCO3)cc1,CID3155662,,,,,,,,,,,0.0,,,0.0,,,
CC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)OCO3)c(Cl)c1,CID2223900,0.0,,,0.0,,,,,,,,,,,,,
CC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)OCO3)c(Cl)c1,CID2207997,,,,,,,,,,,,,0.0,,,,
Cc1ccccc1OCC(=O)Nc1ccc2c(c1)OCO2,CID747191,,,,,,,,0.0,0.0,0.0,0.0,,,,,0.0,
Cc1cccc(OCC(=O)Nc2ccc3c(c2)OCO3)c1C,CID674928,,,,,,0.0,0.0,0.0,,,0.0,,0.0,,,0.0,
Cc1cc(C)c(OCC(=O)Nc2ccc3c(c2)OCO3)cc1C,CID888358,,,0.0,,,,0.0,0.0,,,0.0,,0.0,,,0.0,
O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)OCO2,CID977958,,,,,,,,,,,,,,0.0,,,
Cc1cc(OCC(=O)Nc2ccc3c(c2)OCO3)ccc1Cl,CID692165,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-c2nc(-c3ccccn3)no2)cc1Cl,CID660258,0.0,,,,,,0.0,,,0.0,,,,,,,0.0
COc1cc(-c2nc(-c3ccccn3)no2)cc(OC)c1OC,CID705882,,,,,,,0.0,,,,,,,,,,
COc1cccc(-c2nc(-c3ccccn3)no2)c1,CID789864,,,,,,,,,,,,,,,0.0,,
COc1ccc(-c2nc(-c3ccccn3)no2)cc1,CID789893,,,,,,,,,,,,,,,0.0,,
COc1cccc(-c2nc(-c3ccccn3)no2)c1OC,CID912364,0.0,,0.0,0.0,,,,0.0,,0.0,,,,,,,
Clc1ccc(-c2nc(-c3ccccn3)no2)cc1Cl,CID695758,0.0,,,,,,,,,0.0,,0.0,,,,,
COc1ccccc1-c1nc(-c2ccccn2)no1,CID912656,0.0,0.0,,,,,0.0,0.0,,0.0,,,0.0,,0.0,,
Clc1cccc(-c2nc(-c3ccccn3)no2)c1,CID650707,,0.0,,,,,0.0,,,,,,,,,,0.0
Cc1ccc(-c2nc(-c3ccccn3)no2)cc1,CID763882,,,,0.0,,,,0.0,,,,,,,0.0,,
c1ccc(-c2nc(-c3ccccn3)no2)cc1,CID763880,,,,,,,,,,,,,,,0.0,,
CCNc1oc(COc2cccc(C)c2)nc1C#N,CID645490,,,,,,0.0,,,,,,0.0,,,,0.0,
Cc1cccc(OCc2nc(C#N)c(NCCN(C)C)o2)c1,CID714151,,0.0,0.0,0.0,,,0.0,,,0.0,,,,,,0.0,
CCNc1oc(COc2ccccc2F)nc1C#N,CID645678,,,,,,,,,,,,,,,,0.0,
C=CCNc1oc(COc2ccc(C)cc2)nc1C#N,CID1589554,0.0,,,,,,,,0.0,,,,,0.0,,0.0,
CN(C)c1oc(COc2ccccc2F)nc1C#N,CID2949569,,,,,,,,,,,0.0,,,,,,
CN(C)CCNc1oc(COc2ccc(Cl)cc2)nc1C#N,CID2950701,,0.0,0.0,,,,0.0,,0.0,,,,,,,0.0,0.0
CN(C)CCNc1oc(COc2cccc(Cl)c2)nc1C#N,CID664845,0.0,,,,,,0.0,,,,,,,,,0.0,
CN(C)c1oc(COc2ccc(F)cc2)nc1C#N,CID2951449,,,,,,,,,,,,,0.0,,,,
COCCCNc1oc(COc2ccc(Cl)cc2Cl)nc1C#N,CID664474,0.0,,,0.0,,,,,,,,,,,,,0.0
COCCNc1oc(COc2cccc(C)c2)nc1C#N,CID2200528,,,0.0,,,,,,,,,,0.0,,0.0,,
Nc1ncncc1-c1ccc([N+](=O)[O-])cc1,CID1518596,,,,,,,,,,,,,,0.0,,,
COc1cccc(-c2cnc(OC(C)(C)C)nc2OC(C)(C)C)c1,CID901696,,,,,,0.0,,,,,,,,,,,
CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1,CID4993,0.0,,,,,,,,,,,,0.0,,,0.0,
CCCOc1ccc(-c2cnc(SCC(N)=O)nc2N)cc1,CID2238195,,,,,,,,0.0,,0.0,,,,,,,
CCOC(=O)CSc1ncc(-c2ccccc2)cn1,CID1483987,,,,,,,,,,,,0.0,,,,,
CCOC(=O)CSc1ncc(-c2cccc(Cl)c2)cn1,CID1483985,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C(C)Sc1ncc(-c2ccc(Cl)cc2)cn1,CID3416713,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(-c2cnc(SCC(N)=O)nc2N)cc1,CID974726,,,,,,,,0.0,,0.0,,0.0,,,,0.0,
O=C(O)c1ncc(-c2ccccc2)cn1,CID608255,,,,0.0,,,,,,,,,,,,,
Nc1ncc(-c2ccc([N+](=O)[O-])cc2)cn1,CID796200,,,,,,,,,,,,,,0.0,,,
CCCCn1c(SCC(=O)N2CCC(C(=O)OCC)CC2)nc2cc(S(N)(=O)=O)ccc21,CID2999759,,0.0,,,,,,,,,0.0,,,,,,
CCCCn1c(SCC(=O)N2CCCCC2)nc2cc(S(N)(=O)=O)ccc21,CID2999119,0.0,0.0,,,0.0,0.0,0.0,,,0.0,,,,,,0.0,0.0
CCOC(=O)c1ccc2c(c1)nc(SCC(=O)N1CCCCC1)n2CC,CID2999522,,,,,,0.0,0.0,0.0,,,,,0.0,,,,0.0
Cc1ccc2nc(SC(C)C(=O)N3CCCCC3)[nH]c2c1,CID4876558,,,,,,,,,,,,,,,0.0,,
CC1CCN(C(=O)CSc2nc3ccccc3[nH]2)CC1,CID732222,,0.0,,0.0,,,0.0,,,0.0,0.0,,0.0,,,0.0,
CCCCn1c(SCC(=O)N2CCC(C)CC2)nc2cc(S(N)(=O)=O)ccc21,CID2998956,0.0,,,,0.0,,,,0.0,0.0,0.0,,,,,0.0,
O=C(CSc1nc2ccccc2[nH]1)N1CCCCC1,CID757389,,0.0,,0.0,,,0.0,,,0.0,,,,,,,
CCCCn1c(SCC(=O)N2CCCCC2C)nc2cc(S(N)(=O)=O)ccc21,CID4809906,,,,,,0.0,,,,,,,,,,,
NC(=O)C1CCN(C(=O)CSc2nc3ccccc3[nH]2)CC1,CID752304,,,,,,,,,,,,0.0,,,,,
CCCCn1c(SCC(=O)N2CC(C)CC(C)C2)nc2cc(S(N)(=O)=O)ccc21,CID2998388,,,0.0,,,0.0,,,,0.0,,,,,,0.0,
O=C1CCCc2c1[nH]c1c(Br)cccc21,CID878731,0.0,,,,,,,,,,,,,,,,0.0
CCn1c2c(c3cc(Cl)ccc31)CCCC2=O,CID684323,,,,,,,,,,,,,0.0,,0.0,,0.0
COc1ccc2c3c([nH]c2c1)C(=O)CCC3,CID708536,,,,,,0.0,,,,,,,,,,,
O=C1CCCc2c1[nH]c1ccc(Br)cc21,CID708529,0.0,,,,,,,,,,,,,,0.0,,
CCn1c2c(c3cc(C(=O)O)ccc31)CCCC2=O,CID768661,,,0.0,,,,,,,,,,,,,0.0,
O=C1CCCc2c1[nH]c1ccc(Cl)cc21,CID612977,,,,,,,,,,,,,,0.0,,,
CC(C)COc1ccc2[nH]c3c(c2c1)CCCC3=O,CID686164,,,,,,0.0,,,,,,,,,,,
O=C1CCCc2c1[nH]c1ccccc21,CID285865,,,,,,0.0,,,,,,0.0,,,,,
CCn1c2c(c3ccc(OC)cc31)CCCC2=O,CID752128,0.0,0.0,,,,,,0.0,,,,,,,,0.0,0.0
Cc1cc(Br)c2[nH]c3c(c2c1)CCCC3=O,CID878508,,,,,,,,,,,,0.0,,,,,
O=C(COC(=O)c1cccnc1)Nc1cccc(Cl)c1,CID653526,,0.0,,0.0,,,,,,,0.0,,0.0,0.0,,0.0,0.0
O=C(COC(=O)c1cccnc1)Nc1ccccc1,CID847688,,,,,,,,,,0.0,,,,,0.0,,
CCOc1ncccc1C(=O)OCC(=O)Nc1cc(C)ccc1C,CID2433099,,,,,,,,,0.0,,0.0,,,,0.0,,
CCOc1ncccc1C(=O)OCC(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC,CID2334957,,,0.0,,,,0.0,,,,,,,,,,
COc1cccc(NC(=O)COC(=O)c2cccnc2)c1,CID650161,,,,0.0,,,0.0,,,,,,0.0,,,0.0,
CCOc1ncccc1C(=O)OCC(=O)Nc1c(C)cc(C)cc1C,CID2355175,,,,,,,,,0.0,,0.0,,,,,,
CCOc1ncccc1C(=O)OCC(=O)Nc1cccc(C(C)=O)c1,CID2336788,,,,,,,,,,,,,,,0.0,,
COC(=O)c1ccccc1NC(=O)COC(=O)c1cccnc1,CID646530,,,,,,,,0.0,,,,,0.0,,,,
CCOc1ccc(NC(=O)COC(=O)c2cccnc2)cc1,CID649387,,,,,,0.0,,,,0.0,0.0,,,,,0.0,
CCOc1ncccc1C(=O)OCC(=O)N(CC)c1ccccc1,CID2372811,,,,,,,,,,,,,,,0.0,,
COc1cc(C(=O)NCC(c2cccnc2)N2CCN(c3ccccc3)CC2)cc(OC)c1OC,CID5310398,,,,,,,,,,,,,,,,0.0,
COc1ccc(C(=O)NCC(c2cccnc2)N2CCN(c3ccccc3)CC2)cc1OC,CID5310529,,,0.0,,,,,0.0,,,,,0.0,,,,
O=C(NCC(c1cccnc1)N1CCN(c2ccccc2F)CC1)c1cccc(Cl)c1,CID3238825,,,0.0,,,,,,,,,,,,,,
O=C(NCC(c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1,CID3244078,,,,0.0,,,,,,,,,0.0,,,,
COc1cccc(C(=O)NCC(c2cccnc2)N2CCN(c3ccccc3OC)CC2)c1,CID5310264,,,,,,,0.0,0.0,,,,,,,,,
O=C(NCC(c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)c1cccc(Cl)c1,CID3236950,0.0,,,,,,0.0,,,,,,,,,,
COc1ccc(C(=O)NCC(c2cccnc2)N2CCN(c3ccccc3OC)CC2)cc1OC,CID5309998,,,,,,,,,,,,,,,,,0.0
O=C(NCC(c1cccnc1)N1CCN(c2ccccc2F)CC1)c1ccccc1,CID4067160,,,0.0,,,,,,,,,,,,,,
COc1ccc(N2CCN(C(CNC(=O)c3cccc(Cl)c3)c3cccnc3)CC2)cc1,CID3240145,0.0,,,,,,0.0,,,,,,,,,,0.0
O=C(NCC(c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)c1ccc(F)cc1,CID3245605,0.0,,,,,,,,,,,,,,,,
COc1ccccc1N1CCN(C(c2ccc(C)cc2)c2nnnn2C(C)C)CC1,CID653974,,,,,,,,,,0.0,,,,,0.0,,0.0
CCC(C)(C)n1nnnc1C(c1ccc(OC)c(OC)c1)N1CCN(c2ccccc2)CC1,CID650880,,,0.0,,,,,,,0.0,,0.0,,,,,
COCCn1nnnc1C(c1ccccc1Cl)N1CCN(c2ccccc2OC)CC1,CID645629,0.0,,,,,,,,,,,,,,,0.0,
COCCn1nnnc1C(c1ccc(OC)cc1OC)N1CCN(c2ccccc2)CC1,CID649413,0.0,,,0.0,,,,,,0.0,,,,,,,0.0
CCC(C)(C)n1nnnc1C(c1cc(OC)c(OC)c(OC)c1)N1CCN(c2ccccc2)CC1,CID655137,,,,,,,,,,0.0,,0.0,,,,,0.0
CCC(C)(C)n1nnnc1C(c1cccc(C#N)c1)N1CCN(c2cccc(C)c2C)CC1,CID646213,,,,,,,,,,0.0,,,,,,,0.0
COc1ccccc1N1CCN(C(c2ccc(F)cc2)c2nnnn2C(C)C)CC1,CID648618,,0.0,,,,,,,,,,,,,,,
CCC(C)(C)n1nnnc1C(c1cccc(C#N)c1)N1CCN(c2cc(C)ccc2C)CC1,CID649376,,,0.0,,,,,,,0.0,,,,,,,
CCC(C)(C)n1nnnc1C(c1ccc(OC)c(OC)c1)N1CCN(c2cccc(OC)c2)CC1,CID650371,,0.0,,,,,,,,0.0,,0.0,,,,,
Cc1ccc(C)c(N2CCN(C(c3ccc(N(C)C)cc3)c3nnnn3C(C)(C)C)CC2)c1,CID3208925,,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1cccc(NC(=O)CSc2nnc(COc3ccccc3C)o2)c1,CID648583,,,,,0.0,,0.0,,,0.0,,,0.0,,,,0.0
Cc1ccc(NC(=O)CSc2nnc(COc3ccccc3C)o2)cc1,CID1130278,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccc(NC(=O)CSc2nnc(COc3c(C)cccc3C)o2)cc1,CID1303013,,,,,,,,,,,0.0,,,0.0,,,
Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc(C)c(Cl)c3)o2)c1,CID2285157,0.0,0.0,0.0,0.0,0.0,0.0,0.0,,,,,,,,,,0.0
Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2ccccc2F)o1,CID1314307,,,,,0.0,,,0.0,,,,0.0,,,,0.0,0.0
CCOC(=O)c1cccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)o2)c1,CID652341,,,,0.0,0.0,,,,0.0,,0.0,,,,,,
Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)o2)c1,CID1333629,0.0,0.0,0.0,,0.0,,,0.0,,,,,0.0,,,,
CCOc1ccc(NC(=O)CSc2nnc(COc3c(C)cccc3C)o2)cc1,CID2188953,0.0,,0.0,,0.0,,,0.0,,,0.0,,0.0,,,,0.0
Cc1cc(C)cc(OCc2nnc(SCC(=O)Nc3ccccc3)o2)c1,CID2224761,0.0,0.0,0.0,,0.0,,0.0,,,,0.0,0.0,0.0,,,0.0,0.0
CC(C)(C)NC(=O)CN(C(=O)CSc1nnc(COc2ccccc2)o1)c1cccc(F)c1,CID3184418,,,,,,,,,,0.0,,,,,,,
COc1ccc(OC)c(N2C(=O)CC(Cc3ccc(Cl)cc3)C2=O)c1,CID2870457,,,,,,,,,,,,,,0.0,,,
CC(=O)Nc1cccc(N2C(=O)CC(Cc3ccccc3)C2=O)c1,CID3151046,,,,0.0,,0.0,0.0,,,,,,,,,,
COc1ccc(N2C(=O)CC(Cc3ccccc3)C2=O)cc1,CID646754,0.0,,,0.0,,,,0.0,,,,,0.0,,0.0,,
O=C(O)c1ccc(N2C(=O)CC(Cc3ccccc3)C2=O)cc1,CID2892400,,,,,,0.0,0.0,,,,,0.0,,,0.0,,
CCOc1ccc(N2C(=O)CC(Cc3cc(C)cc(C)c3)C2=O)cc1,CID2865533,,,,,,0.0,,,,,,,,,,,
COc1ccc(OC)c(N2C(=O)CC(Cc3ccc(C)cc3)C2=O)c1,CID2870371,0.0,,,,,,0.0,0.0,,,,,,,,,0.0
Cc1ccc(CC2C(=O)N(c3ccc(C)cc3)C(=O)C2C)cc1,CID2865207,,,,,,,,,,,,,,,0.0,,
Cc1cccc(CC2CC(=O)N(c3ccccc3)C2=O)c1,CID2865632,,,,,,,,,,,,,,,0.0,,
Cc1ccc(N2C(=O)CC(Cc3cc(C)cc(C)c3)C2=O)cc1,CID2974536,,,,,,,,,,,,,,,0.0,,
COc1ccc(OC)c(N2C(=O)CC(Cc3cc(C)cc(C)c3)C2=O)c1,CID2870211,,,,,,,,,,,,,,,0.0,,
CCN1CCN(C(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)CC1,CID1090683,,,,,,,,0.0,,,,,,,,,0.0
Cc1cccc(C)c1N(CC(=O)N1CCN(C)CC1)S(C)(=O)=O,CID777820,,,0.0,,,,,,,,,,,,,0.0,
CCN1CCN(C(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)CC1,CID648083,,0.0,,,,,,0.0,,,,,,,,,
CCOC(=O)N1CCN(C(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)CC1,CID1135590,,,,,,,,,,,,,,,0.0,,
CCOC(=O)N1CCN(C(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)CC1,CID1143178,,,,,0.0,,,,,,,,,,,,0.0
CCN1CCN(C(=O)C(C)N(c2ccc(C)cc2)S(C)(=O)=O)CC1,CID2979596,,0.0,,0.0,,,,,,,,,,,,,
CCN1CCN(C(=O)C(C)Nc2ccc(OC)cc2OC)CC1,CID4880685,,,,,,,,,,,,,,0.0,,,
CCN1CCN(C(=O)CN(c2ccccc2C)S(C)(=O)=O)CC1,CID647094,,0.0,0.0,,,,,,,,,,,,,0.0,
CC(=O)N1CCN(C(=O)CNc2cc(C(F)(F)F)ccc2OCC(F)(F)F)CC1,CID3000060,,,,,,,,,0.0,,,,,,,,
COc1ccc(N(CC(=O)N2CCN(C)CC2)S(C)(=O)=O)cc1OC,CID1085637,,0.0,,,,,,,,,,,,,,,
CCOc1ccccc1N1CCN(S(=O)(=O)c2cccs2)CC1,CID1091553,,,0.0,0.0,0.0,,,,0.0,0.0,0.0,,,0.0,0.0,,
COc1ccccc1N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1,CID1319159,,,,,,,,,0.0,,,,,,,,
COc1ccc(N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)cc1,CID662640,,,,,,,,,0.0,,,,,,,,
COc1ccccc1N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1,CID1091576,,,,,,,,,0.0,,,,0.0,0.0,,,
COc1ccccc1N1CCN(S(=O)(=O)c2cccs2)CC1,CID746376,,,,,,,,,0.0,,0.0,,,0.0,,,
CCOc1ccccc1N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1,CID1314105,,,0.0,,,,,,0.0,,,,0.0,0.0,,0.0,
COc1ccc(N2CCN(S(=O)(=O)c3cccs3)CC2)cc1,CID711769,,,0.0,,,,0.0,,0.0,0.0,0.0,,,0.0,0.0,,
COC(=O)c1sc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)c(C(=O)OC)c1C,CID1190522,,,,,,,,,,,0.0,,,,,,
O=S(=O)(c1ccc(Br)s1)N1CCN(c2ccccc2)CC1,CID662547,,,,,,,0.0,,0.0,,,,,,,0.0,
COC(=O)c1sc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c(C(=O)OC)c1C,CID3243150,,,,,0.0,,,,,,,0.0,0.0,,,,
CCc1c(C)[nH]c(SCCOc2ccc(OC(C)C)cc2)nc1=O,CID2200711,,,,,,,0.0,0.0,,,,,,,,,
C/C=C/c1ccc(OCCSc2nc(=O)cc(C)[nH]2)c(OC)c1,CID2216415,,,0.0,0.0,,,0.0,,,,0.0,,,0.0,,,0.0
Cc1cc(=O)nc(SCCOc2cccc(C(F)(F)F)c2)[nH]1,CID2216686,0.0,,,,0.0,,,,,,,,,,,,0.0
CCCc1cc(=O)nc(SCCOc2ccc(Cl)cc2)[nH]1,CID2291125,0.0,0.0,,0.0,0.0,,,,,0.0,0.0,,,0.0,,,
CCCc1cc(=O)nc(SCCOc2ccc(OCC)cc2)[nH]1,CID2411158,,,,,,,,,,0.0,,0.0,,,,,
CCc1c(C)[nH]c(SCCOc2ccc(OC)cc2)nc1=O,CID2772683,,,,0.0,0.0,,0.0,,,,,,,,,,
CCOc1ccc(OCCSc2nc(=O)cc(C)[nH]2)cc1,CID650009,0.0,,0.0,,0.0,0.0,0.0,,,,,,,,,,0.0
CCC(=O)c1ccccc1OCCSc1nc(=O)cc(C)[nH]1,CID2216025,,,,0.0,,,0.0,0.0,,,,0.0,0.0,,,0.0,0.0
CCCOc1cccc(OCCSc2nc(=O)cc(C)[nH]2)c1,CID2216275,0.0,,0.0,0.0,0.0,,,,,,,0.0,,0.0,,,0.0
Cc1cc(=O)nc(SCCOc2ccc(OC(C)C)cc2)[nH]1,CID2772611,,0.0,,,0.0,,,,,,,0.0,,0.0,,0.0,0.0
COc1ccc(N2CCCn3c2nc2c3c(=O)n(CCN3CCOCC3)c(=O)n2C)cc1,CID664688,,,,0.0,,,,,,,,,,,,,
Cc1cc(C)cc(N2CCCn3c2nc2c3c(=O)n(CCN3CCOCC3)c(=O)n2C)c1,CID664297,0.0,,,,,,,,,,,,,,,,
COc1cccc(N2CCCn3c2nc2c3c(=O)n(CCN3CCOCC3)c(=O)n2C)c1,CID666661,,,0.0,,,,,,,,,,,,,,
Cc1ccc(N2CCCn3c2nc2c3c(=O)n(CCN3CCOCC3)c(=O)n2C)cc1,CID664085,0.0,,,,,,,,,,,,,,,,
COc1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(CCN3CCOCC3)c(=O)n2C)cc1,CID664792,0.0,,0.0,,,,,,,,,,,,,,
CCc1ccc(N2CCCn3c2nc2c3c(=O)n(CCN3CCOCC3)c(=O)n2C)cc1,CID664829,0.0,,,0.0,,,,,,,,,,,,,
CCc1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(CCN3CCOCC3)c(=O)n2C)cc1,CID664983,0.0,,,,,,,,,0.0,,,,,,0.0,
COc1cccc(N2CC(C)Cn3c2nc2c3c(=O)n(CCN3CCOCC3)c(=O)n2C)c1,CID666914,0.0,,,,,,,,,0.0,0.0,,,,,,
Cc1cccc(N2CCCn3c2nc2c3c(=O)n(CCN3CCOCC3)c(=O)n2C)c1,CID663843,0.0,,0.0,,,,,,0.0,0.0,0.0,,,,,0.0,
Cn1c(=O)n(CCN2CCOCC2)c(=O)c2c1nc1n2CCCN1c1ccccc1,CID664214,,0.0,,,,,,0.0,,0.0,,,,,,,
CC(C)(C)NC(=O)CSc1nncn1NCc1ccccc1,CID653197,,,0.0,,,,,,,,,,,,0.0,0.0,
Oc1ccccc1CNn1cnnc1,CID661455,,0.0,,0.0,,,,,0.0,,,0.0,,,,,
Cc1ccc(O)c(CNn2cnnc2)c1,CID1079724,,,,,,,,,0.0,0.0,,,,0.0,0.0,,
Oc1ccc(Cl)cc1CNn1cnnc1,CID1079722,,,,,,,,,,,,,,,0.0,,
CN(C)c1ccc(CNn2cnnc2SCC(=O)NC(C)(C)C)cc1,CID1017371,,,,,,,,,,,,,,,0.0,,
CCOc1cc(CNn2c(C)nnc2SCC(=O)NC(C)(C)C)ccc1OCC(=O)NC(C)(C)C,CID2950307,,,,,,,,,,,,,,,0.0,,
Cc1ccc(CNn2cnnc2SCC(=O)NC(C)(C)C)cc1,CID645178,,,,,,,0.0,,,0.0,,,,,,0.0,
Oc1ccc(Br)cc1CNn1cnnc1,CID661648,0.0,,,,,,,,,,,0.0,,,,,0.0
CN(C)c1ccc(CNn2cnnc2)cc1,CID892578,,,,0.0,,,,0.0,,,,0.0,,,,,
COc1cccc(CNn2cnnc2)c1O,CID950750,,,,,,,,,,,,,,,0.0,,
O=[N+]([O-])c1cccc(N2Cc3ccccc3C2)c1,CID698272,,,,,,,,,,,,,,,0.0,,
COc1ccc(N2Cc3ccccc3C2)cc1Cl,CID894282,0.0,,,,,,,,,0.0,,,0.0,,,,0.0
COc1ccc(OC)c(N2Cc3cc(C)c(C)cc3C2)c1,CID894444,,,0.0,,,,,,,,0.0,,0.0,,,,
CCOC(=O)c1ccc(N2Cc3ccccc3C2)cc1O,CID893152,,,,,,,,,,0.0,,,0.0,,,,
COc1ccc(OC)c(N2Cc3ccccc3C2)c1,CID900752,,,,,,,,,,0.0,0.0,,,,,,
CCOC(=O)c1ccc(N2Cc3cc(C)c(C)cc3C2)cc1O,CID893566,,0.0,,,,,,,,,,,,,,0.0,0.0
CCOc1ccccc1N1Cc2ccccc2C1,CID2056467,,,,,,,,,,,0.0,,,,,,
CCOc1ccc(N2Cc3ccccc3C2)cc1,CID872450,,,,,,,,0.0,,,,,,,,,
FC(F)(F)c1cccc(N2Cc3ccccc3C2)c1,CID954445,,,,,,,,,,,,0.0,,,,,0.0
CCOc1ccccc1N1Cc2cc(C)c(C)cc2C1,CID954417,,,0.0,,,,,,,,,,0.0,,,,
O=C(Nc1nc(-c2cccs2)cs1)c1ccc(Cl)cc1,CID930290,,,,,,,,,0.0,,,,,1.0,,,
COc1ccc(C(=O)Nc2nc(-c3cccs3)cs2)cc1,CID746912,,,0.0,,0.0,,0.0,,,0.0,0.0,,0.0,1.0,,,
COc1ccccc1C(=O)Nc1nc(-c2cccs2)c(NC(C)=O)s1,CID1120959,,,,,,,,,,0.0,,,,0.0,,,
CC(=O)Nc1sc(NC(=O)c2ccc(C)cc2)nc1-c1cccs1,CID1120957,,,,,,,,,0.0,0.0,,,,0.0,,,
COc1ccc(C(=O)Nc2nc(-c3cccs3)c(NC(C)=O)s2)cc1,CID1120958,,,,,,,,,0.0,0.0,0.0,,,,,,
COc1cc(C(=O)Nc2nc(-c3cccs3)cs2)cc(OC)c1OC,CID1547871,,,0.0,,0.0,,0.0,,,,,,,,,,
O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccccc1,CID801259,,,,,,,,,0.0,,,,,0.0,,,
CC(=O)Nc1sc(NC(=O)c2ccc(Cl)cc2)nc1-c1cccs1,CID1120960,,,,,,,,,,,,,,0.0,0.0,,
CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cccs3)cs2)cc1,CID1356309,,,,,0.0,,0.0,,0.0,,,,,,,,
CC(=O)Nc1sc(NC(=O)c2ccccc2)nc1-c1cccs1,CID653733,,,0.0,,0.0,,,,0.0,,,,,0.0,,,
CCCN1C(=O)c2cc(C(=O)O)ccc2C1O,CID5308695,,,,,,,0.0,0.0,,,,,,,,0.0,0.0
COCCCN1Cc2cccc(C(=O)O)c2C1=O,CID2064477,0.0,0.0,,,,0.0,,0.0,,,,,,0.0,,,0.0
CN(C)S(=O)(=O)c1ccc2c(c1)C(CC(=O)O)NC2=O,CID656317,,,,0.0,,,,,,,,,0.0,,,,
CSCCC(C(=O)O)N1Cc2ccccc2C1=O,CID1852502,,,,,,,,,0.0,,,,,,,,0.0
CCCN1Cc2cccc(C(=O)NCCCOC(C)C)c2C1=O,CID3245206,,,,,,,,0.0,,,,,,,,,
O=C(O)CCN1Cc2ccccc2C1=O,CID648461,,,,,,0.0,,,,,,,,,,0.0,
CCOC(=O)CN1Cc2cccc(C(=O)O)c2C1=O,CID5308089,,,,,,,,0.0,,,,,0.0,,,,
CCOC(=O)CC1NC(=O)c2ccccc21,CID3095116,,,,,,,,,,0.0,,,,,,,
CCCN1Cc2cccc(C(N)=O)c2C1=O,CID3238600,,,,,,0.0,,,,,,0.0,,,,,
NC(=O)CC1NC(=O)c2ccccc21,CID2833078,,,,0.0,,,,,,,,0.0,,,,,
C=C(C)CNC(=O)CCc1nnc(Cc2cccc(C(F)(F)F)c2)o1,CID16192373,,,,,,,,,,,,,,0.0,,,
CC(C)OC(=O)c1nnc(Cc2ccc(Cl)cc2)o1,CID5307859,,0.0,,,,,,,,,,,0.0,,,0.0,
CN(C)C(=O)CSc1nnc(Cc2ccc([N+](=O)[O-])cc2)o1,CID1467910,,,,,,0.0,,,,,,,,,,,
CC(C)CCNC(=O)c1nnc(Cc2ccc(Cl)cc2)o1,CID6621783,,,,,,,,,,,0.0,,,,,,
CC(C)OC(=O)c1nnc(Cc2ccc(F)cc2)o1,CID5307271,,,,,,,,0.0,,,,,,,,0.0,
CNC(=O)c1nnc(Cc2ccc(F)cc2)o1,CID5307558,,,,0.0,,,0.0,,,0.0,,,,,,,
CC(Sc1nnc(Cc2ccc([N+](=O)[O-])cc2)o1)C(N)=O,CID3219534,,,,,,,,,,,,0.0,,,,,
CN(C)C(=O)c1nnc(Cc2ccc(Cl)cc2)o1,CID5308560,0.0,0.0,,0.0,,,,,,,,,,,,0.0,0.0
CC(C)N(CCO)C(=O)CCc1nnc(Cc2cccc(C(F)(F)F)c2)o1,CID16187618,,,,,,,,,,,,,,0.0,,,
O=C(NCCCO)c1nnc(Cc2c(F)cccc2Cl)o1,CID2036928,,,,,,,,,,,,,,,0.0,,
CN(C)c1cc2c(c(N(C)C)c1)C(=O)c1ccccc1C2=O,CID2833794,,,,,,0.0,,,,,,,,,,,
CCSc1c(C(=O)NC)ccc2c1C(=O)c1ccccc1C2=O,CID626653,,,,,,,,,,,0.0,,,,,,
COc1ccc(OC)c2c1C(=O)c1ccccc1C2=O,CID266054,,,,,,,,,,,,0.0,,0.0,,,
Nc1ccc(Br)c2c1C(=O)c1ccccc1C2=O,CID627326,,,,,,,,,,,,0.0,,,,,
COc1ccc2c(c1O)C(=O)c1ccccc1C2=O,CID80103,,,,,,,,,,,,,,0.0,0.0,,
CCN(CC)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O,CID610099,,,,,,,,,,,,,,,0.0,,
CCc1ccc2c(c1)C(=O)c1ccccc1C2=O,CID6772,,,,,,,,,,,,,,0.0,,,
CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O,CID26248,,,,,,,,,0.0,,,,,,,,
O=C(O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O,CID10168,,,,,0.0,,0.0,1.0,,,,,,,,,0.0
CCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O,CID2871272,,,,,,0.0,,,,,,,,,,,
O=C(CNS(=O)(=O)c1ccc(Br)cc1)N1CCN(c2ccc(F)cc2)CC1,CID1006492,,,,,,,,,0.0,,,,,,,,
COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccccc3)CC2)c1,CID2964212,,0.0,0.0,,0.0,,,,,,,,,,,,
CN(CC(=O)N1CCN(c2ccc(F)cc2)CC1)S(=O)(=O)c1ccc(F)cc1,CID1305605,,,,,0.0,,,0.0,,,0.0,,0.0,,,,0.0
COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccccc3F)CC2)c1,CID2967676,,,,,0.0,,,0.0,,,,,,,,,
O=C(CNS(=O)(=O)c1ccc(F)cc1)N1CCN(c2ccc(F)cc2)CC1,CID1312508,,,,,0.0,,,,,0.0,,,,,,,0.0
O=C(CNS(=O)(=O)c1ccc(F)cc1)N1CCN(c2ccccc2)CC1,CID1316176,,,0.0,,,,0.0,0.0,0.0,0.0,,,,0.0,,,0.0
COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccc(F)cc3)CC2)c1,CID2975754,,,,0.0,0.0,,,0.0,,,,,,,,,
O=C(CNS(=O)(=O)c1ccccc1)N1CCN(c2ccccc2)CC1,CID1316572,0.0,0.0,,,0.0,,,0.0,,,,,,,,,
COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N2CCN(c3cccc(Cl)c3)CC2)c1,CID2967884,0.0,,,,0.0,,,,,,,,0.0,,,,
Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3ccccc3F)CC2)cc1,CID1210756,,,,,,,,,,,,,,0.0,,,
COc1cccc(NC(=O)CSc2nnc(-c3cccs3)n2C)c1,CID647471,0.0,0.0,0.0,0.0,0.0,,0.0,,0.0,0.0,0.0,,0.0,0.0,,,
C=CCn1c(SCC(=O)Nc2ccc(C(=O)OCC)cc2)nnc1-c1cccs1,CID1044857,,,0.0,0.0,0.0,,0.0,,,,,,,,0.0,0.0,0.0
CCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nnc1-c1cccs1,CID663094,0.0,0.0,,0.0,0.0,,0.0,,0.0,0.0,,,0.0,0.0,,0.0,
CCn1c(SCC(=O)Nc2cc(OC)c(OC)c(OC)c2)nnc1-c1cccs1,CID2586351,,,,,0.0,,,,0.0,0.0,0.0,,,,0.0,0.0,
C=CCn1c(SCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)nnc1-c1cccs1,CID1045984,,,0.0,0.0,0.0,,0.0,,,,,,,,,0.0,0.0
CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccs3)n2C)cc1,CID1291604,0.0,0.0,,0.0,0.0,,,,0.0,0.0,0.0,,,0.0,,0.0,
CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccs3)n2CC)cc1,CID1299194,,0.0,0.0,0.0,0.0,,0.0,,0.0,,,,,,0.0,0.0,0.0
CCc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2CC)cc1,CID1852895,,,,,,,,,0.0,0.0,0.0,,,,,,
CCn1c(SCC(=O)Nc2ccc(OC)c(OC)c2)nnc1-c1cccs1,CID662382,0.0,,0.0,,0.0,,0.0,,0.0,0.0,,,0.0,,,0.0,0.0
COc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2C)cc1OC,CID662557,,,0.0,,0.0,0.0,0.0,,0.0,0.0,0.0,,0.0,0.0,0.0,,
COC(=O)c1ccccc1NC(=O)c1ccc(COc2ccccc2)o1,CID1287334,,,,0.0,,,,0.0,0.0,,,0.0,0.0,,,0.0,
CN(C(=O)c1ccc(COc2ccccc2Br)o1)c1ccccc1,CID1269652,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccc(F)cc1F)c1ccc(COc2c(F)c(F)cc(F)c2F)o1,CID1743016,,,,,,,,,,,,,,,,,0.0
COC(=O)c1ccccc1NC(=O)c1ccc(COc2ccc(C)c(C)c2)o1,CID1269690,,,,,,,,,0.0,,,,,,0.0,,
COc1ccc(NC(=O)c2ccc(COc3ccccc3Br)o2)cc1OC,CID1269633,0.0,,,,,,,,0.0,,0.0,,,,,,0.0
NS(=O)(=O)c1ccc(NC(=O)c2ccc(COc3ccccc3)o2)cc1,CID1096070,,,,,,,,,,,,,,0.0,,,
COc1cc(NC(=O)c2ccc(COc3ccccc3Br)o2)cc(OC)c1OC,CID1223141,0.0,,,,,,,,,,,,,,,,0.0
CN(C)c1ccc(NC(=O)c2ccc(COc3cccc(Cl)c3)o2)cc1,CID3241723,,,,,,,0.0,,,,,,0.0,,,,0.0
COc1ccc(NC(=O)c2ccc(COc3ccccc3)o2)cc1,CID2147601,,,,,,,,,,,0.0,,,,,,
COc1ccccc1NC(=O)c1ccc(COc2ccccc2OC)o1,CID1091773,0.0,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccccc1)c1ccc2c(c1)OCCO2,CID870039,,,,,,0.0,,,0.0,0.0,0.0,,,,,,
CCN(CC)c1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1,CID1794118,,,,,,0.0,,,,,,,,,,,
CC(=O)c1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1,CID878140,,,,,,0.0,,,,,,,,,,,
CCCC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)OCCO3)c1,CID651059,0.0,,,,,,,,0.0,,,0.0,0.0,,,,0.0
Cc1ccccc1NC(=O)c1ccc2c(c1)OCCO2,CID1136376,,,,,,,,,,,0.0,,,,,,
Cc1cccc(C)c1NC(=O)c1ccc2c(c1)OCCO2,CID763847,,,,,,0.0,,,,,,,,,,,
CCC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)OCCO3)c1,CID651087,0.0,0.0,,0.0,,,0.0,,,,,,,0.0,,,
COC(=O)c1ccccc1NC(=O)c1ccc2c(c1)OCCO2,CID713311,,,,,,,,0.0,,0.0,,,0.0,,,1.0,0.0
Cc1ccc(NC(=O)c2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1,CID2886104,,,,,,0.0,,,,,,,,,,,
Cc1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1,CID880491,,,,,,,,,0.0,,,0.0,,,,,
CC(=O)c1ccc(N2CCCCCC2)c(F)c1,CID616536,,,0.0,,,,,,,,,,,,,,
CNc1cc(N2CCCCCC2)ccc1[N+](=O)[O-],CID2974834,,,,,,0.0,,,,,,,,,,,
CCC(=O)c1ccc(N2CCCCCC2)c(F)c1,CID777911,,,,,,,,0.0,,,,,0.0,,,,
NC(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1,CID2907452,,,,,,,,,,,,,,0.0,0.0,,
CC(=O)c1cc(F)c(N2CCCCCC2)cc1C,CID619270,,,,,,,,,,0.0,,,,,,,
O=[N+]([O-])c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1,CID2731658,,,,,,,,,,,,,,,0.0,,
O=C(O)CCC(=O)Nc1ccc(N2CCCCCC2)cc1,CID776847,,,,,0.0,,,,0.0,,,,0.0,0.0,,,
CCCC(=O)c1ccc(N2CCCCCC2)c(F)c1,CID878428,,,,,,0.0,,,,,,,,,,,
Nc1cc(C(=O)O)ccc1N1CCCCCC1,CID893799,,,,0.0,,,,,,0.0,,0.0,,,,,
NS(=O)(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1,CID2866893,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1cnc(SCC(=O)c2ccc(Cl)cc2)nc1N,CID1143779,,,,,,,,,,,,0.0,,,,,
O=C(CSc1ncccn1)c1ccccc1Br,CID2392716,,,,,,,,,0.0,,,,,0.0,,0.0,
CCOC(=O)c1cnc(SCC(=O)c2ccc(C)cc2)nc1N,CID862940,,,,,,,,,0.0,,0.0,,,0.0,,,
COC(=O)c1cc(C(=O)CSc2nc(C)cc(C)n2)ccc1O,CID694598,,,,,,0.0,0.0,0.0,,,,0.0,0.0,,,0.0,
COc1ccc(Cl)cc1C(=O)CSc1nc(N)cc(N)n1,CID655884,,,,,0.0,,,,0.0,,,,,,,,
N#Cc1cnc(SCC(=O)c2ccccc2)nc1N,CID648683,,0.0,,0.0,,,,0.0,,0.0,,0.0,,,,,
Cc1cc(SCC(N)=O)nc(SCC(=O)c2ccccc2)n1,CID652313,,,0.0,,0.0,,0.0,,0.0,,0.0,,0.0,,,,
CCOC(=O)c1cnc(SCC(=O)c2ccccc2)nc1N,CID747731,,0.0,,,,,0.0,0.0,0.0,,,,,0.0,0.0,,
Cc1cc(C)nc(SCC(=O)c2ccc(O)cc2O)n1,CID784994,,,0.0,0.0,0.0,0.0,,,,,,,,,,0.0,
Nc1cc(N)nc(SCC(=O)c2ccccc2)n1,CID829545,,,,,,,,,,,,0.0,,,,,
O=C(O)CCn1c(C(=O)O)cc2sccc21,CID655629,,,,,,,,,0.0,,,,,,,,
CCOC(=O)c1c(C=O)c2sc(C)cc2n1C,CID1448062,,,,,,,,,,,,,,0.0,,,
Cc1cc2c(cc(C(=O)O)n2C)s1,CID3238235,,,,0.0,,,,,,,,,,,,,
CCc1cc2c(cc(C(=O)O)n2C)s1,CID3240156,,,,,0.0,,0.0,,,,,,,,,,
CCOC(=O)c1cc2sccc2n1CC(=O)OC(C)C,CID646834,,0.0,,,,,,,,,,,,0.0,,,
CCOCCCNC(=O)c1cc2sc(Cl)cc2n1CC,CID3243416,,,,,,,,,,0.0,,,0.0,,,,
COC(=O)c1cc2sc(Cl)cc2n1CC(=O)NCCC(C)C,CID9550734,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1cc2sccc2n1CC(=O)O,CID3228397,,,,,,,,,0.0,,,,,,,,
CCOC(=O)c1cc2sccc2n1CC(=O)OC,CID1438848,,,,,,,,,0.0,,,,,0.0,,,
CCOC(=O)Cn1c(C(=O)OCC)cc2sccc21,CID650948,,,,,,,0.0,,0.0,,,,,0.0,,,
COC(=O)c1cc2occc2n1CC(=O)Nc1ccc(OC)c(OC)c1OC,CID3242150,,,0.0,,,,,,,,,,,,,,
C=CCN(C(=O)Cn1c(C(=O)OC)cc2oc(C)cc21)c1ccccc1,CID3240694,,,,,,0.0,0.0,0.0,,,,,,,,,0.0
COC(=O)c1cc2oc(C)cc2n1CC(=O)Nc1cc(C)cc(C)c1,CID3239201,,0.0,,0.0,0.0,,,,,,,0.0,,,,0.0,
COC(=O)c1cc2occc2n1CC(=O)Nc1ccc(OC)c(OC)c1,CID3245456,,,,,,,,,,,,,,,0.0,0.0,
CCOC(=O)c1cc2occc2n1CC(=O)Nc1ccc(OC)cc1OC,CID649742,,,,,,,,,,,,,0.0,,,0.0,
COC(=O)c1cc2oc(C)cc2n1CC(=O)Nc1ccc(OC)c(OC)c1OC,CID3237276,,,,,,,,,,,,,0.0,,,0.0,
COC(=O)c1cc2occc2n1CC(=O)Nc1cc(OC)cc(OC)c1,CID3240031,,,,,,0.0,,,,,,,,,,,
COC(=O)c1cc2occc2n1CC(=O)Nc1ccc(C)cc1C,CID3243535,,,,,,0.0,,,0.0,,,,0.0,,,0.0,0.0
COC(=O)c1cc2oc(C)cc2n1CC(=O)Nc1ccc(C)c(C)c1,CID3245007,,,,0.0,0.0,,,,,,,,0.0,,,0.0,
COC(=O)c1cc2oc(C)cc2n1CC(=O)N(C)c1ccccc1,CID3243502,0.0,,,,,,,,,,,,,,0.0,,
NC(=O)c1ccsc1NC(=O)c1ccco1,CID2971371,,,,,0.0,,,0.0,,,0.0,,,,,,
CCOC(=O)c1sc(NC(=O)c2ccc(Br)o2)cc1C,CID2361992,,,,,,,,,0.0,,,,,0.0,,,0.0
CCN(CC)C(=O)c1sc(NC(=O)c2ccc(Br)o2)c(C(=O)OC)c1C,CID1294670,,,,,,,,,0.0,,0.0,,,,,,
CCOC(=O)c1sc(NC(=O)c2ccco2)c(C#N)c1C,CID831978,,,,,,,,,,,,,,0.0,,,
COC(=O)c1c(NC(=O)c2ccco2)sc(C)c1C,CID726998,,,0.0,,0.0,,0.0,,,,,,,0.0,,,
COC(=O)c1c(NC(=O)c2ccc(Br)o2)sc(C)c1C,CID1272590,0.0,,,,,,,,0.0,,,,,0.0,,,0.0
CCc1c(C)sc(NC(=O)c2ccc(Br)o2)c1C(=O)OC,CID1011410,0.0,,,,,,,,,,,,,,,0.0,
CCN(CC)C(=O)c1sc(NC(=O)c2ccco2)c(C#N)c1C,CID647304,0.0,0.0,,,0.0,,0.0,0.0,0.0,0.0,,,0.0,,,,
CCCc1cc(C(N)=O)c(NC(=O)c2ccco2)s1,CID1244061,,,0.0,0.0,0.0,,,,0.0,,,,,,,,
CCOC(=O)c1c(NC(=O)c2ccc(Br)o2)sc(C)c1CC,CID1012529,0.0,,,,,,,,0.0,,0.0,,,0.0,,0.0,0.0
CC1(C)OC(=O)C(=CNc2ccccc2F)C(=O)O1,CID660015,,,,0.0,,,,0.0,,,,,,,,,
COc1ccccc1NC=C1C(=O)OC(C)(C)OC1=O,CID721786,,,,,0.0,,,,,0.0,,,,0.0,,0.0,
CCOc1ccccc1NC=C1C(=O)OC(C)(C)OC1=O,CID659981,,,,,,0.0,,0.0,,,,,,0.0,,0.0,
Cc1ccc(F)c(NC=C2C(=O)OC(C)(C)OC2=O)c1,CID757269,,,,,,,,,0.0,,,,,,,,
COc1ccc(OC)c(NC=C2C(=O)OC(C)(C)OC2=O)c1,CID659997,,,,,0.0,,0.0,,,0.0,,0.0,0.0,,,0.0,
CC1(C)OC(=O)C(=CNc2cccc(C(=O)O)c2)C(=O)O1,CID3236330,,,0.0,,,,0.0,0.0,,,,,0.0,,,,
CC1(C)OC(=O)C(=CNc2ccccc2)C(=O)O1,CID576126,,,,,,,0.0,,0.0,0.0,,,,0.0,,,
COc1cccc(NC=C2C(=O)OC(C)(C)OC2=O)c1,CID757248,,,,,0.0,,0.0,,,0.0,0.0,,,0.0,,0.0,
CC1(C)OC(=O)C(=CNc2ccc(F)cc2)C(=O)O1,CID653484,,,,0.0,,,,0.0,,,,,,,,,
CC1(C)OC(=O)C(=CNc2cccc(O)c2)C(=O)O1,CID3240846,,,,,0.0,,,,,0.0,0.0,,0.0,,,0.0,
CCN(CC)S(=O)(=O)c1ccc(N/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1,CID5310799,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(N(CC)CC)cc3)C2=O)cc1,CID5389202,,,0.0,,,,,0.0,,,,,0.0,,0.0,,0.0
CCN(CC)c1ccc(N/C=C2\C(=O)NC(=O)N(c3cc(OC)ccc3OC)C2=O)cc1,CID5389137,,,,,,,0.0,,,,,0.0,,,,0.0,0.0
COc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(Cl)cc3)C2=O)cc1,CID5339323,,,,,,0.0,,,,,,,,,,,
Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccccc3N)C2=O)cc1C,CID5389941,,,,,,,,0.0,,,,,,,,,
Cc1ccccc1N1C(=O)NC(=O)/C(=C/Nc2ccc(N(C)C)cc2)C1=O,CID5310822,,,,,,0.0,,0.0,,0.0,0.0,,,,,,
Cc1cccc(N/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c1,CID5291813,,,,,,0.0,,,,,0.0,,,,,,
CCOc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2ccc(N(CC)CC)cc2)C1=O,CID5389204,,,0.0,,,,,,,,,,,,,,
Cc1cccc(N2C(=O)NC(=O)/C(=C/Nc3ccccc3N)C2=O)c1,CID5310733,,0.0,,,,,,,,,,,,,,0.0,
Cc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(S(=O)(=O)N(C)C)cc3)C2=O)cc1,CID5760443,,,,,,,,,,,,,,0.0,,,
CCc1cc2c(=O)c(-c3cscn3)coc2c(CN(C)C)c1O,CID658018,,0.0,0.0,0.0,0.0,,0.0,,,,,,,,,0.0,
Cc1nc(-c2coc3c(CN(C)C)c(O)ccc3c2=O)cs1,CID5839534,,,,,,0.0,,,,,,,,0.0,,,
CCOC(=O)c1oc2cc(C)cc(O)c2c(=O)c1-c1csc(C)n1,CID5611824,,,,,,,,,,0.0,,0.0,,,,,
Cc1nc(-c2coc3cc(OCC(=O)O)ccc3c2=O)cs1,CID658119,,,,,0.0,0.0,,0.0,0.0,,,0.0,0.0,,0.0,0.0,
CCc1cc2c(=O)c(-c3cscn3)coc2cc1OC,CID740754,,,,,,,0.0,,0.0,0.0,,,0.0,,,,0.0
CCCc1cc2c(=O)c(-c3cscn3)c(C(=O)OCC)oc2cc1O,CID5685347,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1oc2cc(O)cc(C)c2c(=O)c1-c1cscn1,CID5389034,,,,,,,,,,,,,,,,,0.0
CCc1cc2c(=O)c(-c3cscn3)coc2cc1O,CID5389037,,,,,,,,,,,,,,,,,0.0
CCOC(=O)c1oc2cc(O)ccc2c(=O)c1-c1csc(C)n1,CID5679504,,,,,,,,,,,,0.0,,,,,
Cc1oc2c(CN(C)C)c(O)ccc2c(=O)c1-c1cscn1,CID5665973,,,,,,,,,,,0.0,,,,,,
CC12CN3CC(C)(CN(C1)C3c1ccc(Br)cc1O)C2,CID657749,0.0,,,,,,,,,,,,,,,,0.0
CN(C)c1ccc(C2N3CC4(C)CN2CC(C)(C3)C4O)cc1,CID781138,,,,,,0.0,,0.0,,,,,,,,,
COc1ccc(C2N3CC4(C)CN2CC(C)(C3)C4)cc1OC,CID652950,,,,,,0.0,,,,0.0,,,,,,,
CC12CN3CC(C)(CN(C1)C3c1ccccc1Cl)C2O,CID654902,0.0,,,,,,0.0,,,,,,,,,0.0,
CC12CN3CC(C)(CN(C1)C3c1ccc(Br)cc1)C2,CID662281,0.0,,,,,,,,,,,,,,,0.0,
CC(C)C12CN3CC(C(C)C)(CN(C1)C3c1ccccc1)C2O,CID904602,,,,,,,,,,,,,0.0,,,,
CC12CN3CC(C)(CN(C1)C3c1ccc(Cl)cc1Cl)C2O,CID660665,0.0,,,,,,,,,,,,,,,,
CCC12CN3CC(CC)(CN(C1)C3c1ccccc1Cl)C2O,CID666239,0.0,,,0.0,,0.0,,,,,,,,,,,0.0
COc1cc(C2N3CC4(C)CN2CC(C)(C3)C4)ccc1O,CID646070,,,,,,,,,,,,,0.0,,,,0.0
COc1ccc(C2N3CC4(C)CN2CC(C)(C3)C4O)cc1,CID781140,,,0.0,,,,,0.0,,,,,,,,,0.0
COC(=O)c1[nH]c2ccccc2c1NS(=O)(=O)c1ccc(F)c(C)c1,CID666984,,0.0,,0.0,,0.0,0.0,,,0.0,,0.0,,,,,
COC(=O)c1[nH]c2ccc(C)cc2c1NS(=O)(=O)c1ccc(F)c(C)c1,CID666051,,,,,,,,,,0.0,,0.0,,,,,
COc1ccc2[nH]c(C(=O)O)c(NS(=O)(=O)c3ccc(OC)c(OC)c3)c2c1,CID666188,,,0.0,,0.0,,,,,0.0,,,0.0,,,0.0,
COC(=O)c1[nH]c2ccccc2c1NS(=O)(=O)c1ccc(OC)cc1OC,CID667186,,,,0.0,,,,,,,,,0.0,,,,
COC(=O)c1[nH]c2ccc(F)cc2c1NS(=O)(=O)c1ccc(OC)cc1OC,CID665957,,,,,,,,0.0,,,,0.0,0.0,0.0,,,
COC(=O)c1[nH]c2ccc(C)cc2c1NS(=O)(=O)c1ccc(F)cc1,CID660242,,,,,,,,,,0.0,,,,0.0,,,
COc1ccc(S(=O)(=O)Nc2c(C(=O)O)[nH]c3ccccc23)c(OC)c1,CID667278,,0.0,,,0.0,,0.0,,0.0,,,,0.0,,,0.0,
Cc1cc(S(=O)(=O)Nc2c(C(=O)O)[nH]c3ccccc23)ccc1F,CID666090,,0.0,,,,,,,,,,0.0,,,,,
COC(=O)c1[nH]c2ccc(F)cc2c1NS(=O)(=O)c1ccc(OC)cc1,CID1872549,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1[nH]c2ccc(OC)cc2c1NS(=O)(=O)c1ccc(OC)cc1OC,CID666274,,,,,,,,0.0,,,,,,,,,
CCOc1ccccc1-n1c(SCC(N)=O)nnc1-c1ccco1,CID651012,0.0,0.0,0.0,0.0,0.0,,,,,,,,,,,,
Cc1ccc(-n2c(SCC(=O)OC(C)C)nnc2-c2ccco2)cc1,CID1248839,,,0.0,,0.0,,0.0,,,,,,0.0,,,0.0,0.0
CCOC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1,CID736528,0.0,0.0,,,0.0,0.0,0.0,,,,,,,,,0.0,
CNC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1OC,CID644902,0.0,0.0,,,0.0,,0.0,,0.0,0.0,0.0,,,,,,0.0
CSc1nnc(-c2ccco2)n1-c1ccccc1,CID790847,,,,,,,,,,0.0,,,0.0,,,,
COC(=O)CSc1nnc(-c2ccco2)n1-c1ccc(C)cc1,CID654226,0.0,,0.0,0.0,0.0,,,,,,,,0.0,0.0,,,
CCOc1ccccc1-n1c(SCC(=O)NC)nnc1-c1ccco1,CID647270,0.0,,,0.0,0.0,,,0.0,0.0,,,,0.0,,,0.0,0.0
CNC(=O)CSc1nnc(-c2ccco2)n1-c1ccc(C)cc1,CID863317,,,,,,,,,,,0.0,,,,,,
COc1ccccc1-n1c(SCC(=O)NC(C)(C)C)nnc1-c1ccco1,CID652776,0.0,,,,0.0,,0.0,,,,,,,,,,0.0
CCOC(=O)CSc1nnc(-c2ccco2)n1-c1ccc(C)cc1,CID652024,0.0,,,,0.0,,0.0,,,,,,0.0,0.0,,,0.0
COc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1,CID960708,,,,,,0.0,,,,,,,,,,,
CS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)c(Cl)c1,CID1480279,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccc(N2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1Cl,CID1121744,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)c(C)c1,CID977715,,,,,,,,,,,,,,,0.0,,
CC(C)Oc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1,CID807479,,,,,,,0.0,,,,,0.0,,,,0.0,
Cc1cc(C)cc(C(=O)Nc2ccc(N3CCCC3)cc2)c1,CID923710,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1,CID650825,,,,,,,,,,,,0.0,,,,,
O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccccc1[N+](=O)[O-],CID960353,,,,,,,,,,,,,,0.0,0.0,,
Cc1cc(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)ccc1[N+](=O)[O-],CID1333578,,,,,,,,,,,,,,0.0,,,
O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1,CID740791,,,,,,,,,,,,,,0.0,0.0,,
CCCC(=O)Nc1ccc(C(=O)/C=C/c2ccc(SC)cc2)cc1,CID6266149,,,,,,0.0,,,,,,,,,,,
CCOc1ccccc1/C=C/C(=O)c1ccc(Cl)cc1,CID5346520,,,,,,,,,,,,,,0.0,,,
O=C(/C=C/c1ccccc1)c1ccccc1O,CID638276,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccc(/C=C/C(=O)c2ccc(OC)cc2)cc1,CID5721474,,,,,,0.0,,,,,,,,,,,
O=C(/C=C/c1ccccc1)c1ccccc1,CID637760,,,,,,,,,,,,,,,0.0,,
COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OC,CID5346086,,,,,,,,,,,,,,0.0,,,
O=C(/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1,CID5337611,,,,,,0.0,,,,,,,,,,,
Cc1ccc(/C=C/C(=O)c2ccccc2)cc1,CID5375849,,,,,,,,,,0.0,,,,,,,
CCC(=O)Nc1cccc(C(=O)/C=C/c2ccccc2)c1,CID5895840,,,,,,0.0,,,,,,,,0.0,,,
COc1cccc(C(=O)/C=C/c2ccc(SC)cc2)c1,CID5346051,,,,,,0.0,,,,,,,,,,,
Cc1ccc(CNC(=O)COC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1,CID2433703,,,,,,,,,,,,,,,0.0,,
CNS(=O)(=O)c1cccc(C(=O)OCC(=O)NCc2ccccc2)c1,CID2358495,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)OCC(=O)NCc2ccccc2)c(OC)c1OC,CID2335043,,,,,,,,,,,,,,,0.0,,
O=C(COC(=O)c1ccc(Br)cc1)NCc1ccc(F)cc1,CID2364455,,,,,,,,,,,,,,,0.0,,
O=C(COC(=O)c1ccc(Br)cc1)NCc1ccccc1,CID2357319,,,,,,,,,,,,,,,0.0,,
O=C(COC(=O)c1ccccc1Br)NCc1ccccc1,CID1648597,,,,,,,,,,,,,,,0.0,,
CCN(CC)S(=O)(=O)c1ccc(O)c(C(=O)OCC(=O)N(C)Cc2ccccc2)c1,CID2361881,,,,,,,,,,0.0,,,0.0,,,0.0,
CN(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)NCc2ccccc2)c1,CID2465012,,,,,,0.0,,,,,,,,,0.0,,
COc1cc(C(=O)OCC(=O)N(C)Cc2ccccc2)cc(OC)c1OC,CID2646131,,,,,,,,0.0,,,,,0.0,,0.0,,
CCN(CC)c1ccc(C(=O)OCC(=O)N(C)Cc2ccccc2)cc1,CID2386841,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(-c2nnc(SCC(=O)N3CCOCC3)o2)cc1,CID866861,0.0,0.0,,0.0,,0.0,,,,,,,0.0,,,,
COc1ccccc1-c1nnc(SCC(=O)N2CCOCC2)o1,CID2155707,,,,,,,,0.0,,,,,0.0,,,,0.0
COc1cccc(-c2nnc(SCC(=O)N3CCOCC3)o2)c1,CID866855,,0.0,,0.0,,,,0.0,,,,,,,,,
CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)N3CCOCC3)o2)cc1,CID647790,,,,0.0,0.0,,,,,,,,,,,,0.0
COc1cc(OC)cc(-c2nnc(SCC(=O)N3CCOCC3)o2)c1,CID655550,,,,0.0,,,,0.0,,,,,,,,0.0,0.0
COc1ccc(-c2nnc(SCC(=O)N3CCOCC3)o2)cc1,CID646255,,0.0,,,,,,,,,,,0.0,,,,0.0
O=C(CSc1nnc(-c2ccccc2)o1)N1CCOCC1,CID866838,0.0,,0.0,,,,,,,,,,,,,,
O=C(CSc1nnc(-c2ccc(OC(F)F)cc2)o1)N1CCOCC1,CID2681272,,,,,0.0,,,,,0.0,,,,,,,0.0
COc1ccc(-c2nnc(SCC(=O)N3CCOCC3)o2)cc1OC,CID2155754,,,,,,,,,,,,,0.0,,,0.0,
COc1ccc(OC)c(-c2nnc(SCC(=O)N3CCOCC3)o2)c1,CID2155849,,0.0,,,,,,0.0,,,,,,,,0.0,
COCCOc1cc(Nc2nnc(C(F)(F)F)s2)c(Cl)cc1Cl,CID3736219,,,,,,,,,,,,,,0.0,,,
CC(C)Sc1nnc(Nc2ccccc2)s1,CID2114383,,,,,0.0,0.0,,,,0.0,,,0.0,,,,0.0
CCSc1nnc(Nc2ccc(C)cc2)s1,CID2468617,,,,,,,,,,0.0,,,,,,,
C/C(N)=C(/C#N)C(=O)CSc1nnc(Nc2cccc(C)c2)s1,CID5742471,,,,,,,,,,,,,0.0,,,0.0,
C/C(N)=C(/C#N)C(=O)CSc1nnc(Nc2c(C)cccc2C)s1,CID5742521,,,,,,,,,,,,,0.0,,,,
CCSc1nnc(Nc2ccccc2)s1,CID2114156,,0.0,0.0,0.0,0.0,,,,,0.0,,,,,,,
CCCSc1nnc(Nc2ccccc2C)s1,CID2114326,,,,,,0.0,,,,0.0,,,,,,,
COc1cccc(Nc2nnc(SCC(=O)N(CC(C)C)CC(C)C)s2)c1,CID2559248,,,,,,,,,,0.0,,,,,,,
C/C(N)=C(/C#N)C(=O)CSc1nnc(Nc2cccc(C)c2C)s1,CID5742566,,,,0.0,,,,,,1.0,,,,,,,
OCCSc1nnc(Nc2ccccc2)s1,CID3242010,0.0,0.0,,0.0,0.0,,,,,,,,,,0.0,,0.0
COc1ccc(-c2c(C)nn(-c3ccccc3)c2N)cc1,CID970459,,,,,,0.0,,,,,,0.0,,,,,
CCc1nn(-c2ccccc2)c(N)c1-c1ccc(OC)c(OC)c1,CID743125,,,,,,,,,,,0.0,,,,,,
Nc1c(-c2ccccc2)cnn1-c1ccc(C(=O)O)cc1,CID1302358,,,,,,,,,,,0.0,,,,,,
Cc1ccc(-c2cnn(-c3cccc([N+](=O)[O-])c3)c2N)cc1,CID2764846,,,,,,0.0,,,,,,0.0,,,0.0,,
COc1ccc(-c2cnn(-c3ccccc3)c2N)cc1OC,CID767167,,,,0.0,,,0.0,,,,,,,,,0.0,0.0
COc1ccc(-c2c(C)nn(-c3ccccc3)c2N)cc1OC,CID680669,,,,,,,,,,,0.0,0.0,,,,,
Cc1ccc(-n2nc(C)c(-c3cccc([N+](=O)[O-])c3)c2C)cc1C,CID764512,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-n2nc(C)c(-c3cccc([N+](=O)[O-])c3)c2C)cc1Cl,CID764513,,,,,,0.0,,,,,,,,,,,
Cc1nn(-c2ccc(C(=O)O)cc2)c(N)c1-c1ccccc1,CID2962288,,,,,,,,,,,,,0.0,,,,
Cc1nn(-c2ccccc2)c(C)c1-c1cccc([N+](=O)[O-])c1,CID845638,,,,,,0.0,,,,,,,,,,,
Cc1ccc(NC2=NC3(CCCCC3)N=C(N)N2)c(C)c1,CID3236664,,0.0,,0.0,,,,,,,,,,,,,
Cc1cccc(NC2=NC3(CCCCC3)N=C(N)N2)c1,CID879244,,0.0,,,,,,,0.0,,,0.0,,,,0.0,
COc1ccc(NC2=NC3(CCCCC3)N=C(N)N2)cc1,CID879096,,,,,,,,,,,0.0,,,,,,
COc1cccc(NC2=NC3(CCCCC3)N=C(N)N2)c1,CID895660,,,0.0,,,,,,,,,,0.0,0.0,,,
CCCCOc1ccc(NC2=NC3(CCCCC3)N=C(N)N2)cc1,CID2267126,,,0.0,,,,,,0.0,,,,,,,,
Cc1cccc(C)c1NC1=NC2(CCCCC2)N=C(N)N1,CID3239171,,,,,,,0.0,,,,,,,,,,
COc1ccc(OC)c(NC2=NC3(CCCCC3)N=C(N)N2)c1,CID2175986,,,,,,,0.0,,,,,,,,,,
Cc1ccc(C)c(NC2=NC3(CCCCC3)N=C(N)N2)c1,CID879231,,,,,,,0.0,,,,,,,,,,
Cc1cc(C)cc(NC2=NC3(CCCCC3)N=C(N)N2)c1,CID2267077,,,,0.0,,,,0.0,,,,,,,,,
Cc1cccc(NC2=NC3(CCCCC3)N=C(N)N2)c1C,CID879167,,,,0.0,,,,0.0,,,,,0.0,,0.0,0.0,
CCCOc1ccccc1NC(=O)CC1Nc2ccccc2NC1=O,CID2838665,0.0,,,0.0,,,,,0.0,0.0,0.0,,0.0,,,,
COc1ccccc1NC(=O)CC1Nc2ccccc2NC1=O,CID2834475,0.0,0.0,,,,,,0.0,,0.0,,,,0.0,,,
CCCCOc1ccccc1NC(=O)CC1Nc2ccccc2NC1=O,CID2913793,0.0,,0.0,,,,0.0,,0.0,,0.0,,,,,0.0,
CCOc1ccccc1NC(=O)CC1Nc2ccccc2NC1=O,CID655207,0.0,,0.0,0.0,,,,,,,,,,,,0.0,
CCOc1ccc(NC(=O)CC2Nc3ccccc3NC2=O)cc1,CID2865575,,,,,,,,,,,,,,,0.0,,
O=C(CC1Nc2ccccc2NC1=O)Nc1ccccc1,CID2829724,,,,0.0,,,0.0,0.0,,,,,,0.0,,,
CCOC(=O)c1ccccc1NC(=O)CC1Nc2ccccc2NC1=O,CID2896732,0.0,0.0,,,,,,0.0,,,,,,,,,
Cc1ccc(NC(=O)CC2Nc3ccccc3NC2=O)cc1Cl,CID2872643,0.0,,0.0,0.0,,,0.0,,,,,,,,,0.0,0.0
O=C(CC1Nc2ccccc2NC1=O)Nc1cc(Cl)cc(Cl)c1,CID2971598,,,,,,,,,,,,0.0,,,,,
CCOc1ccccc1NC(=O)CC1Nc2cc(C)c(C)cc2NC1=O,CID2929129,0.0,,,0.0,,,,,,,,,,,,0.0,
O=C(CC(=O)c1cc(Cl)ccc1O)c1ccccc1,CID724088,,,,0.0,,,,,,,,,0.0,,,,
Cc1cccc(C(=O)CC(=O)c2cc(Cl)ccc2O)c1,CID873953,,,,,,,,,0.0,0.0,,,,,,,
Cc1ccc(C(=O)CC(=O)c2cc(Cl)ccc2O)cc1,CID9550328,,,,,,,,,,,0.0,,,,,,
Cc1ccc(O)c(C(=O)CC(=O)c2ccccc2Cl)c1,CID776157,,,,,,,,,,,,,,0.0,,,
Cc1ccc(O)c(C(=O)CC(=O)c2cccc(F)c2)c1,CID776160,,,,,,,,0.0,0.0,,,,,,,,
COc1ccc(O)c(C(=O)CC(=O)c2ccc(F)cc2)c1,CID768764,,,,0.0,,,,0.0,,,,0.0,,,,0.0,
COc1ccc(O)c(C(=O)CC(=O)c2ccccc2)c1,CID776118,,,,,,,,,0.0,0.0,0.0,,,,,0.0,
COc1ccc(C(=O)CC(=O)c2ccccc2O)cc1OC,CID745291,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C(=O)CC(=O)c2ccccc2C)c(O)c1,CID784692,,,,,,0.0,,,,,,,,,,,
O=C(CC(=O)c1ccccc1O)c1cccc(F)c1,CID2870684,,,0.0,,,,0.0,,,,,,,,,,
COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CCN1CCCC(C)(C)C1,CID663608,0.0,,,,,,,,,,,,,,,,0.0
CCOC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CCN1CCCCC1,CID659233,0.0,,,,,,,,,,0.0,,,,,0.0,
CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CCN1CCC(C)CC1,CID660569,0.0,,,,,0.0,,,0.0,,0.0,,,,,,
CCOC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CCN1CCC(C(=O)OCC)CC1,CID661549,0.0,,,,,,,,,,,,,,,0.0,
CCOC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CCN1CCC(C)CC1,CID1867540,,,,,,,,,0.0,,,,,,,,
CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CCN1CCCC(C)C1,CID660332,0.0,,,0.0,,,,0.0,0.0,,,,,,,,
CCOC(=O)C1CCCN(CCC(=O)Nc2c(C(=O)OC)[nH]c3cc(OC)ccc23)C1,CID662467,,0.0,,,,,,,,,,0.0,0.0,0.0,,,0.0
COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CCN1CCC(C)CC1,CID664847,0.0,,,,,,,0.0,0.0,0.0,,,0.0,,,0.0,
COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CCN1CC(C)CC(C)C1,CID664364,,,0.0,,,0.0,,0.0,,,,,,,,,
COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CCN1CCCCC1,CID665209,0.0,,,,,,0.0,0.0,0.0,,,,,,,0.0,
COc1cc(Cn2c(-c3nonc3N)nc3ccccc32)ccc1C,CID715538,,0.0,,,,,0.0,0.0,,,,0.0,0.0,,,,0.0
Cc1ccc(Cn2c(-c3nonc3N)nc3ccccc32)cc1,CID571349,0.0,0.0,0.0,,,,0.0,,,,,,,,,,
CCC(=O)Nc1nonc1-c1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1,CID3235795,0.0,,0.0,,,,,,,,,,,,,,
CCC(=O)Nc1nonc1-c1nc2ccccc2n1Cc1ccccc1,CID2222257,,0.0,0.0,,,,0.0,,,,,,0.0,,0.0,,
Nc1nonc1-c1nc2ccccc2n1Cc1ccc(F)cc1Cl,CID588745,,,0.0,0.0,,,,,,,,,,,,0.0,
Nc1nonc1-c1nc2ccccc2n1Cc1ccccc1,CID561320,,,0.0,,,,,,,,,,,,,,
Nc1nonc1-c1nc2ccccc2n1Cc1ccc(Cl)cc1,CID683053,0.0,0.0,,,,0.0,0.0,,,,,,,,0.0,,
COc1ccc(C)c(Cn2c(-c3nonc3N)nc3ccccc32)c1,CID971438,,0.0,,,,,0.0,,,,0.0,0.0,,,,,
Nc1nonc1-c1nc2ccccc2n1Cc1ccc(F)cc1,CID573353,,0.0,0.0,,,,,0.0,,,,0.0,,,,,
COc1cccc(Cn2c(-c3nonc3N)nc3ccccc32)c1,CID1506381,0.0,,,0.0,,,,0.0,,,0.0,0.0,,0.0,0.0,,
Cc1ccc(NC(=O)CC2NCCNC2=O)cc1,CID2949753,,0.0,,,,,,0.0,,,,0.0,,,,,
Cc1cc(C)cc(NC(=O)CC2NCCNC2=O)c1,CID2954228,,,,,,,,,,,,0.0,,,,,
CCC(=O)N1CCNC(=O)C1CC(=O)Nc1ccc(C)c(Cl)c1,CID2968567,,,,0.0,,,,0.0,,0.0,,,,,,0.0,0.0
CN(C)c1ccc(NC(=O)CC2NCCNC2=O)cc1,CID2955434,,0.0,0.0,,,,0.0,,,,0.0,,,0.0,,0.0,
CCOc1ccccc1NC(=O)CC1NCCNC1=O,CID2956602,,0.0,0.0,0.0,0.0,,,0.0,,,,,,,,,
CCc1ccc(NC(=O)CC2NCCNC2=O)cc1,CID2960189,,,,,,,,,,,,0.0,,,,0.0,
Cc1ccc(Cl)cc1NC(=O)CC1NCCNC1=O,CID2959663,,,,,,,,,0.0,,,,,,,,
COC(=O)c1cc(NC(=O)CC2NCCNC2=O)cc(C(=O)OC)c1,CID2957833,,0.0,,,,,,,,,,0.0,,,,0.0,
CCOc1ccc(NC(=O)CC2NCCNC2=O)cc1,CID2949729,,,,,0.0,,,,,,,,,,,,
CC(C)CCN1CCNC(=O)C1CC(=O)Nc1ccc(F)cc1,CID666331,,,,,,,,0.0,,,,,,,,,
CCCc1nc(NC(C)=O)c(C#N)c(-c2ccco2)c1CC,CID694064,,0.0,,0.0,0.0,,0.0,,,,0.0,,0.0,0.0,,,
CCCc1nc(N)c(C#N)c(-c2ccco2)c1CC,CID748950,,,,,,,,,,,0.0,0.0,0.0,,,,
CC(C)OC(=O)CSc1nc(N)c(C#N)c(-c2ccco2)c1C#N,CID1861702,,,,,,,,,,,,0.0,,,,,
CC(=O)Nc1nc(CC(C)C)cc(-c2ccco2)c1C#N,CID711442,,0.0,,0.0,,,,,0.0,,,,0.0,0.0,0.0,,
CC(C)Cc1cc(-c2ccco2)c(C#N)c(N)n1,CID711446,,0.0,,,,,0.0,,,,,0.0,0.0,,,,
CCCOC(=O)CSc1nc(N)c(C#N)c(-c2ccco2)c1C#N,CID3129288,,,,,,,,,0.0,,,,,,,,
CC(C)(C)c1cc(-c2ccco2)c(C#N)c(SCC#N)n1,CID660809,,0.0,,,,,,0.0,,,0.0,0.0,0.0,,0.0,0.0,0.0
CCCCc1nc(N)c(C#N)c(-c2ccco2)c1CCC,CID1898363,,,,,,,,,0.0,,,,,,,,
CCCCCc1nc(N)c(C#N)c(-c2ccco2)c1CCCC,CID1897510,,,,,,,,,,,,0.0,,,,,
CCSc1nc(N)c(C#N)c(-c2ccco2)c1C#N,CID745534,,,,,,,,,,,0.0,0.0,,,,,
CCOC(=O)c1sc(NC(=O)CSc2nnc(C(C)C)n2CC)nc1C,CID651483,0.0,0.0,,0.0,0.0,0.0,,,0.0,0.0,,,,,,,0.0
CCOC(=O)Cc1csc(NC(=O)CSc2nnc(C(C)C)n2C)n1,CID647223,0.0,,0.0,,0.0,0.0,0.0,,0.0,,,,,,,0.0,0.0
COC(=O)c1sc(NC(=O)CSc2nnc(C(C)C)n2C)nc1C,CID652203,0.0,0.0,,0.0,0.0,,,,0.0,,,,,,,0.0,
CCOC(=O)Cc1csc(NC(=O)CSc2nnc(C(C)C)n2CC)n1,CID655853,0.0,0.0,,,0.0,,,,0.0,,,,0.0,,,0.0,0.0
CCCn1c(SCC(=O)Nc2nc(C)c(C(=O)OC)s2)nnc1C(C)C,CID652259,0.0,,,,0.0,,0.0,,0.0,0.0,,,,,,,0.0
Cc1csc(NC(=O)CSc2nncn2C)n1,CID1248259,0.0,,,0.0,,,0.0,,,,,,0.0,,,,
CCn1c(SCC(=O)Nc2nc(C)c(C(=O)OC)s2)nnc1C(C)C,CID655636,0.0,,,,0.0,,,,0.0,0.0,,,,,,,
CCOC(=O)Cc1csc(NC(=O)CSc2nnc(C)n2C)n1,CID649943,0.0,0.0,,0.0,,,,,,0.0,,,,,0.0,0.0,0.0
CCOC(=O)c1sc(NC(=O)CSc2nnc(C(C)C)n2C)nc1C,CID3212566,,,,,,,,,0.0,0.0,,,,,,,
CCOC(=O)c1sc(NC(=O)CSc2nncn2C)nc1C,CID2171353,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)cc1OCC,CID646863,,,,,,,,,,0.0,0.0,,,,,,
CCOc1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)cc1OC,CID657898,,,,,,,0.0,,,0.0,,,,,,,
N#CC1=C(N)SC(N)=C(C#N)C1c1ccc(C(F)(F)F)cc1,CID649401,0.0,,,,,,,,,,,,,,,,
N#CC1=C(N)SC(N)=C(C#N)C1c1cccc(O)c1,CID914418,,,,,,,,,0.0,0.0,,,,0.0,,,
CCOc1ccccc1C1C(C#N)=C(N)SC(N)=C1C#N,CID645401,,,,,,,,,,0.0,,0.0,,,,,
CCOc1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)c(OCC)c1,CID658023,,,,,,,,,,,,,,,,0.0,
CCc1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)cc1,CID689674,,,,,,,,,,0.0,,,,,,0.0,
Cc1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)cc1,CID600799,,,,,,,,,,,,,,0.0,,,
COc1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)cc1OC,CID660180,,,,,,,,,,0.0,,0.0,,,,,
Cc1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)c(C)c1,CID678451,,,,,,,,,,0.0,,,,,,,
O=c1cc(-c2ccccc2)c2ccccc2[nH]1,CID375912,,,,0.0,,,0.0,,0.0,0.0,0.0,,0.0,,,,
Cc1cccc2c(-c3ccccc3)cc(=O)[nH]c12,CID672185,,,,,,,,,,,0.0,,,,,,
CCN(CC)C(=S)Sc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O,CID1616439,,,,,,,,,,,,0.0,,0.0,,,
CCN(CC)c1c(-c2ccccc2)c2cc(C)ccc2[nH]c1=O,CID4617314,,,,,,,,,,,,,0.0,,,0.0,
CC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O,CID678849,,,,,,,,,,,,,,0.0,,,
O=C(O)CSc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O,CID748047,,,,,,,,,,,,,,0.0,,,
Cn1c(=O)cc(-c2ccccc2)c2ccccc21,CID684365,,,,,,,,,0.0,0.0,,,0.0,,,0.0,
Cc1ccc(-c2cc(=O)[nH]c3ccccc23)cc1,CID672271,,,,,,,,,0.0,0.0,,,,,,,
CC(=O)c1c(-c2ccc(Cl)cc2)c2ccccc2[nH]c1=O,CID2872496,,,,,,,,,,,,,,0.0,,,
CC(=O)c1c(-c2ccccc2)c2ccccc2[nH]c1=O,CID773774,,,,,,,,,,,,,,,0.0,,
O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)c2ccco2)CC1,CID873408,,,,,,,,,,,,,,,0.0,,
COc1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc(OC)c1OC,CID1070600,,,,,,,,,,,,,,,0.0,,
O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1,CID792960,,,,,,,,,,,,,0.0,,,,0.0
CCOc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1OCC,CID2218592,,0.0,0.0,,,,,0.0,0.0,,,,0.0,,0.0,,
COc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1,CID584975,,,0.0,,,0.0,0.0,0.0,,,,,0.0,,,,
O=C(c1cccc(Cl)c1)N1CCN(C(=O)c2ccco2)CC1,CID717236,,0.0,0.0,0.0,,,,,,0.0,,,0.0,0.0,,,0.0
CC(C)C(=O)Nc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1,CID646366,,,,,,,,,,0.0,,,0.0,,,,
CC(C)(O)C#Cc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1,CID1336760,,,0.0,0.0,,,0.0,0.0,,0.0,,,,0.0,,0.0,
CC(=O)Nc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1,CID974127,,,,,,,,,,,,,0.0,,,,
COc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1OC,CID654594,,,,,,,,,,,,,0.0,,,,
CC1CCN(c2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2)CC1,CID3235676,,,,,,,0.0,,,,,,,,,,
Cc1ccc(-c2cc(C(F)F)nc(N3CCC(C)CC3)n2)cc1,CID3243528,,,,,,,,,,,,,,,,,0.0
C=CCNC(=O)C1CCN(c2nc(C)cc(-c3ccccc3)n2)CC1,CID646087,0.0,0.0,0.0,,,,,,,,0.0,0.0,0.0,,,,
CC1CCN(c2nc(-c3ccccc3)cc(C(F)(F)F)n2)CC1,CID3238445,,,,,0.0,,,,,,,,,,,,0.0
Fc1ccc(-c2cc(C(F)(F)F)nc(N3CCCCC3)n2)cc1,CID3236267,,,,,,,0.0,,,,,,,,,,
Cc1cc(-c2ccccc2)nc(N2CCC(C(=O)NC(C)C)CC2)n1,CID646109,0.0,0.0,,0.0,,,,,,,0.0,,0.0,,,,
FC(F)(F)c1cc(-c2ccccc2)nc(N2CCCCC2)n1,CID756536,,,,,0.0,,,,,,,,,,,,
COc1ccc(-c2cc(C(F)(F)F)nc(N3CCCCC3)n2)cc1OC,CID3239428,,,,,0.0,,,,,,,,,,,,0.0
COc1cccc(-c2cc(C(F)(F)F)nc(N3CCCCC3)n2)c1,CID3240994,,,,,0.0,,0.0,,,,,,,,,,
COc1cccc(-c2cc(C(F)(F)F)nc(N3CCC(C)CC3)n2)c1,CID3245383,,,,,0.0,,,,,,,,,,,,
COc1ccc(C2=NC3=NC(C)=C(C(N)=O)C(c4ccccc4Cl)N3N2)cc1,CID5307645,,,,,,,,,,,,,,,,0.0,
COc1ccc(C2C(C(N)=O)=C(C)N=C3N=C(c4ccccc4)NN32)cc1OC,CID5308673,0.0,,,,,,0.0,,,,,,,,,0.0,
CC1=C(C(N)=O)C(c2ccccc2)N2NC(c3cccc(C)c3)=NC2=N1,CID5307113,,,,,,,0.0,,,,,,0.0,,,0.0,
COc1cccc(C2=NC3=NC(C)=C(C(N)=O)C(c4ccccc4Cl)N3N2)c1,CID5307312,,,,,,,,,,,,,,,0.0,0.0,
COc1ccccc1C1=NC2=NC(C)=C(C(N)=O)C(c3ccc(Cl)cc3)N2N1,CID5771291,,,,,,,,,,,,,,,,,0.0
COc1ccc(C2C(C(N)=O)=C(C)N=C3N=C(c4ccccc4Cl)NN32)c(OC)c1,CID5307711,,,,,,,,,,,,,,,,0.0,0.0
CCOc1ccccc1C1C(C(N)=O)=C(C)N=C2N=C(c3cccc(C)c3)NN21,CID5771341,,,,,,,,,,,,,0.0,,,,
COc1ccccc1C1=NC2=NC(C)=C(C(N)=O)C(c3ccccc3Cl)N2N1,CID5307894,,,,,,,,,,,0.0,,,,,0.0,
CCOc1ccccc1C1C(C(N)=O)=C(C)N=C2N=C(c3ccc(OC)cc3)NN21,CID5771499,,,,,,,,,,,,0.0,,,,,
COc1ccc(OC)c(C2C(C(N)=O)=C(C)N=C3N=C(c4cccc(Cl)c4)NN32)c1,CID5771466,,,,,,,,,,,,0.0,,,,0.0,
CCc1cc(OCCN2C(=O)NC(C)(C)C2=O)ccc1Cl,CID973231,,,,,,0.0,,,,,,,,,,,
Cc1cc(C)c(OCCN2C(=O)NC(C)(C)C2=O)c(Cl)c1,CID2215864,,,,,,,,,,0.0,,,,,,,
Cc1cc(Cl)c(OCCN2C(=O)NC(C)(C)C2=O)c(Br)c1,CID1300404,,,,,,,,,0.0,,,,,,,,
CN1CC(=O)N(CCOc2ccccc2)C1=O,CID2412772,,,,,,,,0.0,,,0.0,,,,,,
C/C=C/c1ccc(OCCN2C(=O)NC(C)(C)C2=O)c(OC)c1,CID973568,,,,,,,,0.0,0.0,,,0.0,0.0,,,,
Cc1ccc(C(C)C)c(OCCN2C(=O)NC(C)(C)C2=O)c1,CID976275,,,,,,,,,0.0,,,0.0,,,,,
CC(=O)c1cccc(OCCN2C(=O)NC(C)(C)C2=O)c1,CID973285,,,,,,,0.0,,,,,,0.0,,,,
CCC(C)(C)c1ccc(OCCN2C(=O)NC(C)(C)C2=O)cc1,CID973222,,,,,,,,,0.0,,,0.0,,,,,
CCC(=O)c1ccccc1OCCN1C(=O)NC(C)(C)C1=O,CID973291,,,0.0,,,,,,,,0.0,,,,,0.0,
CC1(C)NC(=O)N(CCOc2cccc(Cl)c2Cl)C1=O,CID973296,,,,0.0,,,,,,,,,,,,,
CCCOc1ccccc1Nc1nc(=O)c(C)n[nH]1,CID2062266,,0.0,0.0,,,,0.0,,,,,0.0,0.0,,,0.0,
COc1ccccc1Nc1nc(=O)c(C)n[nH]1,CID715294,,,,,,,,,0.0,,,0.0,,,,,
O=c1cn[nH]c(Nc2ccccc2)n1,CID2153989,,,,,,,,,,,,,,,0.0,,
COc1ccc(Nc2nc(=O)c(C)n[nH]2)cc1,CID756458,,,,,,,,,,,,,,,0.0,,
Cc1n[nH]c(Nc2ccc(O)cc2)nc1=O,CID734752,,,,,,,,,,,,,,0.0,,,
CCOc1ccccc1Nc1nc(=O)c(C)n[nH]1,CID1187483,,0.0,,,,,0.0,,0.0,,,0.0,,0.0,,,0.0
COc1ccc(OC)c(Nc2nc(=O)c(C)n[nH]2)c1,CID700717,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccccc1Nc1nc(=O)c(C)n[nH]1,CID2077511,,0.0,,,,,0.0,0.0,,,,0.0,0.0,0.0,,,
CCOC(=O)c1ccc(Nc2nc(=O)c(C(C)(C)C)n[nH]2)cc1,CID3238682,,0.0,,,,,,,,,,,,,,,
Cc1ccc(Nc2nc(=O)c(C)n[nH]2)cc1,CID702628,,,,,,,,,,,,,,0.0,,,
COc1cccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3)n2C)c1,CID1310640,0.0,0.0,,0.0,0.0,,0.0,0.0,,,0.0,,0.0,,,,
CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)Nc1cccc(OC)c1,CID1308553,,0.0,,0.0,0.0,,0.0,,,,0.0,,,,,,
COC(=O)c1ccccc1NC(=O)CSc1nnc(C(CO)NC(=O)c2ccccc2)n1C,CID2973529,,0.0,0.0,0.0,0.0,,,,0.0,,,,,,,,0.0
COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3ccccc3OC)n2C)cc1,CID1292369,,,,,,,,,,,,,,,0.0,,
COC(=O)c1ccccc1NC(=O)CSc1nnc(C(C)NC(=O)c2ccc(Cl)cc2Cl)n1C,CID2958304,,,,,,,,,0.0,,,,,,,,
Cc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3ccccc3)n2C)cc1,CID4148392,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccccc1NC(=O)CSc1nnc(C(CO)NC(=O)c2ccccc2Cl)n1C,CID2969861,,,,,,,,,0.0,,,,,,,,
COC(=O)c1ccc(NC(=O)CSc2nnc(C(C)NC(=O)c3ccccc3Cl)n2C)cc1,CID2945839,,,,,,,,,,,0.0,,,,,,
CCn1c(CNC(=O)c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1ccccc1,CID1303328,,0.0,0.0,,0.0,,0.0,0.0,,,,,,,,,
CC(NC(=O)c1ccccc1Cl)c1nnc(SCC(=O)Nc2ccc(C(=O)O)cc2)n1C,CID3988240,,,,,,,,,,,0.0,,,,,,
Nc1c(C(=O)NCc2ccccc2)nnn1Cc1cccc(Cl)c1,CID5308973,0.0,0.0,,,,,,,,,,,0.0,,,0.0,
COc1cccc(Cn2nnc(C(=O)NCc3ccccc3Cl)c2N)c1,CID5308393,0.0,,,,,,,,,,,,,,,,
CCOc1ccc(Cn2nnc(C(=O)NCc3ccc(OC)cc3)c2N)cc1,CID5309910,,,,,,,,,,,,,0.0,,,,
CCOc1ccc(Cn2nnc(C(=O)NCc3ccccc3)c2N)cc1,CID5309385,,,0.0,,,,,0.0,,,,,,,,,
Nc1c(C(=O)NCc2ccccc2)nnn1Cc1ccccc1,CID562160,0.0,0.0,,0.0,,,,,,,0.0,,,,,0.0,
CSc1ccc(Cn2nnc(C(=O)NCc3ccccc3)c2N)cc1,CID5307955,,0.0,,,,,,,,,,,,,,,
CC(=O)Nc1c(C(=O)NCc2ccccc2)nnn1Cc1ccccc1,CID713952,,0.0,,0.0,,,0.0,,,,,,,,0.0,,
CN(C)/C=N/c1c(C(=O)NCc2ccccc2)nnn1Cc1ccccc1,CID3239063,,0.0,,,,,0.0,0.0,,,,,0.0,,,,0.0
COc1ccc(CNC(=O)c2nnn(Cc3ccc(OC)cc3)c2N)cc1,CID5307197,,0.0,,,,,,,,,,,,,,0.0,
CCc1ccc(Cn2nnc(C(=O)NCc3ccccc3OC)c2N)cc1,CID5309015,,,,,,,,0.0,,,,,,,0.0,,0.0
COc1cccc(-c2nc(CS(=O)CC(=O)NCc3ccccc3Cl)c(C)o2)c1,CID5307456,0.0,,,0.0,,,,,,,,,,,,,
COc1ccccc1CNC(=O)CS(=O)Cc1nc(-c2ccccc2C)oc1C,CID5308857,,0.0,0.0,,,,,0.0,,,,,,,,0.0,
Cc1ccc(-c2nc(CS(=O)CC(=O)NCc3ccc(Cl)cc3)c(C)o2)cc1,CID5308850,0.0,0.0,0.0,,,,,,,,,,,,,,
Cc1ccc(-c2nc(CS(=O)CC(=O)NCc3ccccc3)c(C)o2)cc1,CID5309745,0.0,,,0.0,,0.0,,0.0,,,,,,,,,
COc1cccc(-c2nc(CS(=O)CC(=O)NCc3ccccc3)c(C)o2)c1,CID5307971,,,,,,,,0.0,,,,,,,,0.0,
COc1ccc(CNC(=O)CS(=O)Cc2nc(-c3ccc(C)cc3)oc2C)cc1,CID5309194,,,,,,0.0,,,,,,,,,,0.0,
Cc1ccc(CNC(=O)CS(=O)Cc2nc(-c3ccccc3C)oc2C)cc1,CID5309019,0.0,0.0,,,,,,0.0,,,,,,,,,
COc1ccc(CNC(=O)CS(=O)Cc2nc(-c3ccccc3C)oc2C)cc1,CID5309514,,,,,,,,0.0,,,,,,,,0.0,
Cc1ccccc1-c1nc(CS(=O)CC(=O)NCc2ccccc2)c(C)o1,CID5309840,,0.0,,,,0.0,,,,,,,,,,,0.0
COc1ccc(-c2nc(CS(=O)CC(=O)NCc3ccc(Cl)cc3)c(C)o2)cc1,CID5308500,0.0,0.0,,,,,,,,,0.0,,,,,,
CCCCn1c(CN(Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C,CID665893,0.0,,,,,,,,,,,0.0,,,,,0.0
CCCn1c(CN(Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C,CID3287495,0.0,,0.0,,,,,,,,0.0,,,,,,
COC(=O)Cn1c(CN(Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,CID3240119,0.0,,,,,,,,,,0.0,0.0,,,,,0.0
CCOCCn1c(CN(Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C,CID3740004,0.0,,,,,,,,,,,,,,,,0.0
Cn1c(=O)c2[nH]c(CN(Cc3ccccc3)Cc3ccccc3)nc2n(C)c1=O,CID662855,0.0,0.0,,,,0.0,,,,0.0,,,,,,,0.0
CCOCCn1c(CN(Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,CID3238216,0.0,,0.0,,,,,,,,0.0,0.0,0.0,,,,
CC(C)Cn1c(CN(Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C,CID3353822,0.0,,,,,,0.0,,,,,,,,,,
CCOC(=O)Cn1c(CN(Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,CID3237033,0.0,,,,,,,0.0,,,0.0,,,,,,0.0
COCCn1c(CN(Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C,CID3699796,0.0,0.0,0.0,,,,,,,,,,0.0,,,,
CCOC(=O)Cn1c(CN(Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C,CID667249,0.0,,,,,,0.0,,,,0.0,0.0,,0.0,,,
CCSc1nnc(NC(=O)CCc2ccccc2)s1,CID839901,0.0,,,0.0,0.0,,,,0.0,,,,0.0,0.0,0.0,,
COCc1nnc(NC(=O)CC(C)c2ccccc2)s1,CID2932254,,0.0,,0.0,,,0.0,,,,0.0,,0.0,,,0.0,0.0
COCc1nnc(NC(=O)CCc2ccccc2)s1,CID2179503,,0.0,,0.0,,,0.0,,,0.0,0.0,0.0,0.0,,,0.0,
CSc1nnc(NC(=O)CCc2ccccc2)s1,CID834017,,,,,,,,,0.0,,,,,0.0,0.0,,
CCSc1nnc(NC(=O)CCc2ccc(OC)cc2)s1,CID2165971,,,,,,,,,,,,,,0.0,,,
CCCCSc1nnc(NC(=O)CCc2ccccc2)s1,CID1871088,,,,,,,,,,0.0,0.0,,,,,,
O=C(O)CC(CC(=O)Nc1nncs1)c1ccccc1,CID647148,,,,0.0,,,,0.0,,,,,,,,0.0,
CC(CC(=O)Nc1nncs1)c1ccccc1,CID3155175,,,,,,,,,,0.0,,,,,,,
CCOCc1nnc(NC(=O)CCc2ccccc2)s1,CID1825735,,,,0.0,,,,0.0,0.0,0.0,0.0,,0.0,,,0.0,
CC(=O)CSc1nnc(NC(=O)CCc2ccccc2)s1,CID892951,,,,,,,,,0.0,,0.0,,,,,,
CSc1nc(-c2ccccc2)nn1C(=O)c1ccccc1,CID5069358,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(=O)n2nc(-c3ccc(C)cc3)nc2N)cc1OC,CID654458,,0.0,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)n2nc(-c3ccc(OC)cc3)nc2N)cc1,CID753284,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)n2nc(-c3ccccc3)nc2N)cc1OC,CID975107,0.0,,,,,,,,,,0.0,,,,,,0.0
CSc1nc(-c2ccccc2)nn1C(=O)c1ccc(C)cc1,CID828564,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(=O)n2nc(-c3ccccc3)nc2SC)cc1,CID828565,,,,,,0.0,,,,,,,,1.0,,,
COc1ccc(C(=O)n2nc(-c3ccc(Cl)cc3)nc2N)cc1OC,CID1084415,0.0,0.0,0.0,,,,,,,,,,,,,0.0,
CSc1nc(-c2ccccc2)nn1C(=O)c1ccc(Cl)cc1,CID4219965,,,,,,0.0,,,,,,,,,,,
COc1ccccc1C(=O)n1nc(-c2ccccc2)nc1N,CID895500,0.0,0.0,,0.0,,,,0.0,,,,0.0,0.0,,,,0.0
COc1ccccc1C(=O)n1nc(-c2ccc(Cl)cc2)nc1N,CID975143,0.0,0.0,,,,,0.0,,,,,,,,,0.0,
Cn1c(=O)[nH]c(=O)c2c1nc(CN1CCOCC1)n2Cc1ccccc1,CID3239617,,0.0,,,,,,,,,,,,,,,
Cc1ccc(Cn2c(CN3CCOCC3)nc3c2c(=O)[nH]c(=O)n3C)cc1,CID3238917,,0.0,0.0,,,,,,,,,,,,,,
Cc1ccc(Cn2c(CN3CC(C)OC(C)C3)nc3c2c(=O)n(C)c(=O)n3C)cc1,CID4338884,0.0,,0.0,,,,,,,,,,,,,0.0,
Cn1c(=O)c2c(nc(CN3CCOCC3)n2Cc2ccccc2)n(C)c1=O,CID649234,,,0.0,,,,,0.0,,,,,,,,,
Cc1ccc(Cn2c(CN3CCOCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1,CID653828,,,,,,,,0.0,,,0.0,,,,,0.0,
Cc1ccc(Cn2c(CN3CC(C)OC(C)C3)nc3c2c(=O)[nH]c(=O)n3C)cc1,CID3236358,,0.0,,,,,,,,,0.0,,,,,,
CC1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(Cl)c2)CC(C)O1,CID5310590,,,0.0,,,,,,,,,,0.0,,,,
Cn1c(=O)[nH]c(=O)c2c1nc(CN1CCOCC1)n2Cc1ccc(F)cc1,CID4901558,,,,,,,,,,,,,,,,,0.0
CC1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2)CC(C)O1,CID5063650,,,0.0,,,,0.0,,,,,,,,,,
CC1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)CC(C)O1,CID2987845,0.0,,,,,0.0,0.0,,,,,,,,,,
CCS(=O)(=O)N1CCc2cc(OC)c(OC)cc2C1,CID666028,,,,,,,,0.0,,,,,,,,,
C/C(N)=C(/C#N)C(=O)COC(=O)C1Cc2ccccc2CN1S(C)(=O)=O,CID5742467,,,,,,,,,,0.0,,,0.0,,,,0.0
COc1cc2c(cc1OC)CN(S(C)(=O)=O)CC2,CID780358,,,,0.0,,,0.0,,,,,,,,,,
C/C=C(\C)CN1CCc2cc(OC)c(OC)cc2C1,CID783060,,,,,,,,0.0,,,0.0,,,,,,
CCCS(=O)(=O)N1CCc2cc(OC)c(OC)cc2C1,CID666729,,,,0.0,,,0.0,0.0,,,,,,,,,
CC(C)(C)OC(=O)N1Cc2ccccc2CC1C(=O)O,CID664088,,,0.0,,,0.0,,,,0.0,,,,,,,
CC(=O)N1CCc2ccccc2C1CC(=O)O,CID2770902,,,,,,,,,,,,,,0.0,,,
COc1cc2c(cc1OC)CN(C(=O)C(C)(C)C)CC2,CID624005,,,,,,,,,,,,,0.0,,,0.0,
CCOC(=O)C(NC(C)=O)(N1CCc2ccccc2C1)C(F)(F)F,CID658739,,,,,,,,,0.0,,,0.0,,,,,0.0
CN(C)S(=O)(=O)N1CCc2ccccc2C1,CID742769,,,,,,0.0,0.0,,,,,,,,,,
CCOc1nc(-c2ccccc2)ccc1-c1noc(COC)n1,CID655429,,0.0,0.0,,,,0.0,0.0,,,0.0,,,,,,
COCc1nc(-c2ccc(-c3ccc(OC)cc3)nc2OC)no1,CID913778,,0.0,0.0,,,,,0.0,0.0,,,,0.0,0.0,,0.0,
COCc1nc(-c2ccc(-c3ccc(C)cc3)nc2OC)no1,CID653318,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,,0.0,,0.0,,
CCOc1nc(-c2ccc(OC)cc2)ccc1-c1noc(C)n1,CID913865,,,,0.0,,,0.0,,0.0,,,,0.0,0.0,0.0,,
COc1ccc(-c2ccc(-c3noc(C)n3)c(OC)n2)cc1,CID663550,0.0,,0.0,,,,0.0,0.0,,,0.0,0.0,,0.0,,,0.0
CCc1nc(-c2ccc(-c3ccc(OC)cc3)nc2OC)no1,CID646178,,,0.0,,,,,,0.0,,0.0,,0.0,0.0,0.0,0.0,
COc1ccc(-c2ccc(-c3noc(C(C)C)n3)c(OC)n2)cc1,CID664369,0.0,,,0.0,,,,,0.0,,,0.0,,0.0,0.0,,
CCOc1nc(-c2ccc(C)cc2)ccc1-c1noc(COC)n1,CID652883,,,0.0,0.0,,,,0.0,,,0.0,,0.0,0.0,0.0,,
COCc1nc(-c2ccc(-c3ccccc3)nc2OC)no1,CID656230,,0.0,0.0,,,,0.0,,,,,,0.0,,,,
COc1nc(-c2ccccc2)ccc1-c1noc(C)n1,CID913802,0.0,0.0,,,,,0.0,0.0,,,,,,,,,
COc1cc(C)c(C)cc1S(=O)(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID1306016,,,,,0.0,,,0.0,0.0,0.0,0.0,,,,,,
COc1ccc(F)cc1S(=O)(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID1257398,,,,,,,,0.0,,,,,,,,,
COc1cc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(C)cc1C,CID1263121,,,,,0.0,,,,,,,,,,,,
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(Cc2cc3c(cc2O)OCO3)CC1,CID2466857,,,,,,,,,,,,,,0.0,,,
COc1ccc(Cl)cc1S(=O)(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID1090998,0.0,,,,0.0,,,,,,,,0.0,,0.0,,
O=S(=O)(c1cccc(F)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID1281344,,,,,,,,0.0,,,,,,,,,0.0
O=S(=O)(c1ccc(F)c(F)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID2142609,,,,,0.0,,,,,,,,,,,,0.0
O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID1077624,0.0,,,,,,,,,,,,,,,,
CSc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1,CID1263894,,,0.0,,0.0,,0.0,,,,0.0,,,,,,
CCOc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1,CID1085687,,,,,,,,,,0.0,0.0,,,,,,
O=C(c1ccccc1)c1cc2c(cc1[N+](=O)[O-])OCCO2,CID769180,,,,,,,,,,,,,,0.0,0.0,,
CCC(=O)Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2,CID646597,,,,,,0.0,0.0,,,,,,,,0.0,,0.0
CC(C)C(=O)Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2,CID656017,,,0.0,,,,0.0,0.0,,,0.0,,,,,0.0,0.0
CC(=O)Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2,CID787512,,,,,,,,0.0,0.0,,,,0.0,,,,
Nc1cc2c(cc1C(=O)c1ccc(Cl)cc1)OCCO2,CID1263514,,,,,,,,,,0.0,,,,,,,
Cc1ccc(C(=O)c2cc3c(cc2N)OCCO3)cc1,CID715369,,,,0.0,,,,,,0.0,0.0,,,,,,0.0
CC(=O)Nc1cc2c(cc1C(=O)c1ccc(C)cc1)OCCO2,CID1252935,,,,,,,,0.0,0.0,,0.0,,,,0.0,,0.0
Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2,CID769176,,,,,,0.0,,,,0.0,,,,,,,
Nc1ccc(C(=O)c2ccc3c(c2)OCCO3)cc1N,CID775074,0.0,,,0.0,0.0,,0.0,0.0,,,,,,,,,
CCCC(=O)Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2,CID652130,,,0.0,,,,,0.0,,,0.0,,0.0,,,,0.0
O=C(c1ccco1)N1CCN=C1SCc1ccccc1Cl,CID3543275,0.0,0.0,,,0.0,0.0,,,,,,,,,,,
O=C(c1ccco1)N1CCN=C1SCc1ccccc1F,CID4088356,,0.0,,,,0.0,,0.0,,,,,,,,,
Cc1cccc(CSC2=NCCN2C(=O)c2ccc(Br)o2)c1,CID3361119,0.0,,,,,,,,,,,,,,,0.0,
O=C(c1ccco1)N1CCN=C1SCc1cccc(Cl)c1,CID4304292,0.0,0.0,,0.0,0.0,0.0,,,,,,,,,,,
O=C(c1ccco1)N1CCN=C1SCc1c(F)cccc1Cl,CID3242469,0.0,0.0,,,0.0,,,,,,,0.0,,,,,
Cc1cccc(CSC2=NCCN2C(=O)c2ccco2)c1,CID5061509,0.0,,,0.0,0.0,,,0.0,,,,,,,,,
O=C(c1ccco1)N1CCN=C1SCc1cccc(F)c1,CID3646578,,,,,,,,0.0,,0.0,,,,,,,
Cc1ccc(CSC2=NCCN2C(=O)c2ccco2)cc1,CID4687568,0.0,0.0,,,0.0,,,,,,,,,0.0,,,
O=C(c1ccc(Br)o1)N1CCN=C1SCc1cccc(F)c1,CID3572011,0.0,,,,,,,,,,,,,,,0.0,
O=C(c1ccco1)N1CCN=C1SCc1ccc(F)cc1,CID3334605,,,0.0,,,,,,,,,,,,,,
CCCCCn1c(N2CCC(C(N)=O)CC2)nc2c1c(=O)[nH]c(=O)n2C,CID644514,,0.0,0.0,0.0,,,,,,,0.0,,,,,,
CC1CC(C)CN(c2nc3c(c(=O)n(C)c(=O)n3C)n2C)C1,CID2962699,,,0.0,,,,,0.0,,,0.0,,,,,,
Cn1c(=O)c2c(nc(N3CCCCC3)n2C)n(C)c1=O,CID228632,,0.0,0.0,0.0,,,,,,,,,0.0,,,0.0,
CCCCCCn1c(N2CCC(C)CC2)nc2c1c(=O)[nH]c(=O)n2C,CID662534,,,0.0,,,,,0.0,,,,,0.0,,0.0,,
Cn1c(N2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C,CID657695,,,,0.0,,,,0.0,,,0.0,,0.0,,0.0,,
CCOC(=O)Cn1c(=O)c2c(nc(N3CCCCC3)n2C)n(C)c1=O,CID655618,,0.0,,,,,,0.0,,,,,,,,,
C=C(C)Cn1c(N2CC(C)CC(C)C2)nc2c1c(=O)[nH]c(=O)n2C,CID3156072,,,,,,,0.0,,,,,,,,,,
CCCCCCn1c(N2CCC(C(N)=O)CC2)nc2c1c(=O)[nH]c(=O)n2C,CID646052,,,0.0,0.0,,,0.0,,,,,,,,,,
CCn1c(N2CCC(C)CC2)nc2c1c(=O)n(C)c(=O)n2C,CID712378,,,,0.0,,,,,,,,0.0,,,,,
CCCCCCn1c(N2CCC(C(N)=O)CC2)nc2c1c(=O)n(C)c(=O)n2C,CID654245,,0.0,,0.0,,,,0.0,,,,,,,,,
COc1cccc(-n2c(COc3ccc(C)cc3)nnc2SCC(N)=O)c1,CID644515,0.0,,0.0,,0.0,,0.0,,,,0.0,,,,,0.0,0.0
COc1ccc(-n2c(COc3ccc(C)cc3)nnc2SCC(N)=O)cc1,CID665264,,,,0.0,0.0,,0.0,0.0,,,,,,,,,
CCOc1ccccc1-n1c(COc2ccccc2)nnc1SCC(N)=O,CID653234,0.0,,0.0,0.0,0.0,,0.0,,,,,,,,,0.0,0.0
COc1cccc(-n2c(COc3ccccc3C)nnc2SCC(=O)O)c1,CID653470,,,0.0,,,,,0.0,,,,,,0.0,,0.0,
COc1ccc(-n2c(COc3ccccc3)nnc2SCC(N)=O)cc1,CID666191,0.0,,0.0,0.0,0.0,0.0,0.0,0.0,,,0.0,,,,,,
COc1cccc(-n2c(COc3ccc(C)cc3)nnc2SCC(=O)O)c1,CID645060,,,,,,0.0,,,,,,,,,,0.0,
CCOc1ccc(-n2c(COc3ccccc3)nnc2SCC(N)=O)cc1,CID665942,0.0,,0.0,,0.0,0.0,0.0,0.0,,,0.0,,,,,0.0,
CCOc1ccccc1-n1c(COc2ccc(C)cc2)nnc1SCC(N)=O,CID647755,0.0,,,0.0,0.0,,0.0,,,,0.0,,,,,0.0,
CCOc1ccc(-n2c(COc3ccc(C)cc3)nnc2SCC(N)=O)cc1,CID665985,,,,0.0,0.0,,,,,,,,,,,0.0,0.0
COc1ccc(OCc2nnc(SCC(N)=O)n2-c2ccccc2OC)cc1,CID649730,,,,0.0,0.0,,0.0,,,,0.0,,0.0,,,,0.0
COc1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1,CID644511,,,,,,,0.0,0.0,0.0,0.0,,0.0,,,,,0.0
COc1ccc(N(C)S(=O)(=O)c2cccc3cccnc23)c(OC)c1,CID3243130,,,,,,,,,0.0,,0.0,,,,,,0.0
O=C(O)c1ccccc1NS(=O)(=O)c1cccc2cccnc12,CID781543,,,,0.0,0.0,,,,,,,0.0,,,,,0.0
Cc1cc(C)c(NS(=O)(=O)c2cccc3cccnc23)c(C)c1,CID927295,,,,,,,,,,,,,,,0.0,,
O=S(=O)(Nc1ccc(O)cc1)c1cccc2cccnc12,CID894115,,,,0.0,,0.0,,0.0,,,,,,,,,
O=S(=O)(Nc1ccccc1O)c1cccc2cccnc12,CID893346,,,,,,,,,,,,,,0.0,,,
O=C(O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1,CID776645,,,,,0.0,,,,,,0.0,0.0,0.0,,,,
COC(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1,CID694416,,,,,,,,,,,,0.0,,0.0,,,
COc1ccccc1NS(=O)(=O)c1cccc2cccnc12,CID4153810,,0.0,,,,,,,,,,,,,,,
O=C(O)c1cccc(NS(=O)(=O)c2cccc3cccnc23)c1,CID699753,,,,0.0,0.0,,,,,,,0.0,0.0,,,,
COc1cc(C2c3c(n[nH]c3C)C(=O)N2c2ccc(Br)cc2)ccc1O,CID663322,0.0,,,,,,0.0,,0.0,,0.0,0.0,,,,0.0,0.0
CCOc1cc(C2c3c(n[nH]c3C)C(=O)N2c2ccc(C)cc2)ccc1O,CID663328,0.0,,,0.0,,,,,0.0,,0.0,0.0,,,,,0.0
CCOc1cc(C2c3c(n[nH]c3C)C(=O)N2c2ccc(Br)cc2)ccc1O,CID663245,0.0,,,,,,,,0.0,,0.0,0.0,,,,0.0,0.0
COC(=O)c1ccc(C2c3c(n[nH]c3C)C(=O)N2c2ccc(C)cc2)cc1,CID3436636,0.0,0.0,,,0.0,,,,,0.0,,,0.0,,0.0,,
CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(C)c3C2c2ccc(OC)cc2)cc1,CID662967,0.0,0.0,,,0.0,,0.0,0.0,,0.0,0.0,0.0,0.0,,,,
CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(C)c3C2c2ccc(OC)cc2OC)cc1,CID662514,,,,,0.0,,,0.0,0.0,0.0,,,,,,,
COc1cc(C2c3c(n[nH]c3C)C(=O)N2c2ccc(C)cc2)ccc1O,CID662815,0.0,0.0,0.0,,,,,0.0,0.0,,,,,,,,0.0
CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(C)c3C2c2ccc(OC)c(OC)c2)cc1,CID663202,,,0.0,,0.0,,0.0,,0.0,0.0,,,,,,,
CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(C)c3C2c2ccc(O)cc2)cc1,CID662765,,,,,,,,0.0,0.0,,,,0.0,,,,0.0
CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(C)c3C2c2ccccc2)cc1,CID662826,0.0,,0.0,,0.0,0.0,,0.0,0.0,0.0,0.0,,0.0,,,,
CCCOc1ccc(Cc2c(Cl)nc(SC)nc2N(C)C)cc1,CID1918330,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(Cc2c(Cl)nc(SC)nc2OC)cc1,CID838951,,,,,,0.0,,,,,,,,,0.0,,
COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC,CID5578,0.0,0.0,,0.0,,,0.0,,,,,0.0,,,,0.0,
Cc1nc(N)nc(C)c1Cc1ccccc1,CID647495,,,,0.0,,,,,,,,,,0.0,,,
CSc1nc(Cl)c(Cc2ccc(OC(C)C)cc2)c(N(C)C)n1,CID1911148,,,,,,,,,,,,,,,0.0,,
COc1ccc(Cc2c(C)nc(N)nc2Cl)cc1,CID919161,,,,,,,,,,,,,,,0.0,,
CC(C)Oc1ccc(Cc2cnc(N)nc2N)cc1,CID826184,,,,,,,,,,,,0.0,,,,,
CC(C)COc1ccc(Cc2cnc(N)nc2N)cc1,CID739795,,,,,,,,,,,0.0,,,,,,
CCOc1ccc(Cc2c(Cl)nc(SC)nc2N(C)C)cc1,CID739793,,,,,,,,,,,,,,,0.0,,
CCCOc1ccc(Cc2c(Cl)nc(SC)nc2OC)cc1,CID1909055,,,,,,,,,,,,,,,0.0,,
Cc1ccc(-n2c(CNc3ccc(F)cc3)nnc2SCC(N)=O)cc1,CID1170268,,,,,,,,,,0.0,,,,0.0,,,
Clc1ccc(NCc2nncn2-c2ccccc2)cc1,CID647369,0.0,0.0,,,,,,,,,,,,,0.0,0.0,0.0
COc1ccc(NCc2nnc(SCC#N)n2-c2ccccc2OC)cc1,CID650982,0.0,,0.0,,0.0,,,,,,0.0,,,,,0.0,
COc1cccc(-n2c(CNc3ccc(F)cc3)nnc2SCC(N)=O)c1,CID650953,0.0,,,,,,,0.0,,0.0,,,,,,,
COC(=O)CSc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1,CID1206607,,,,,,0.0,,,,,0.0,,,,0.0,,
O=C(O)CSc1nnc(CNc2ccccc2Cl)n1-c1ccccc1,CID649148,0.0,,0.0,0.0,0.0,,,,,,0.0,,0.0,,,,
CCOC(=O)CSc1nnc(CNc2cccc(Cl)c2)n1-c1ccccc1,CID652528,0.0,0.0,,,0.0,,0.0,,,0.0,0.0,,,,,,0.0
Cc1ccc(C)c(-n2c(CNc3ccc(F)cc3)nnc2SCC(N)=O)c1,CID645565,0.0,0.0,0.0,,,,,,,0.0,,,,,,0.0,
CCOC(=O)CSc1nnc(CNc2ccccc2Cl)n1-c1ccccc1,CID649426,0.0,0.0,0.0,,0.0,,,,,,0.0,,,,,,0.0
CCOC(=O)CSc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1,CID649432,0.0,0.0,0.0,,0.0,,,,,,,,,,,,
CCN1C(=O)/C(=C/N(C)C)c2ccccc21,CID658224,,,,,,,0.0,0.0,,,,,,,,,
CC(C)(CO)N/C=C1\C(=O)Nc2ccccc21,CID5336035,,,,,,,,,,,,0.0,,,,,
CCN1C(=O)/C(=C\N(C)C)c2ccccc21,CID1736457,,,,,,,,,,,,0.0,,,,,
CCO/C=C1/C(=O)N(CC)c2ccccc21,CID658188,,,0.0,,,,,,,,,,0.0,,,0.0,
CCO/C=C1\C(=O)N(CC)c2ccccc21,CID5346946,,,,,,,,,0.0,,,,,,,,
COCC(C)N/C=C1\C(=O)Nc2ccccc21,CID5310816,,,0.0,,,,,0.0,,,,,,,,,
CN(C)/C=C1/C(=O)Nc2ccccc21,CID728910,,,,,,,0.0,0.0,,,0.0,,,,,,
CN(C)/C=C1\C(=O)Nc2ccccc21,CID728912,,,,,,,,,,,,0.0,,,,,
CCO/C(C)=C1\C(=O)N(CC)c2ccccc21,CID2265379,,,,,,,,,0.0,,,,,,,,
CC(C)N/C=C1\C(=O)Nc2ccccc21,CID9550940,,,,,,,,,,0.0,,,,0.0,,,
CCc1ccc(NC(=O)CCn2c(=O)oc3ccccc32)cc1,CID3163763,,,,,0.0,0.0,,,0.0,,,0.0,0.0,,,,
CC(=O)c1ccc(NC(=O)CCn2c(=O)oc3ccccc32)cc1,CID3163768,,,0.0,,,,,0.0,0.0,,0.0,,0.0,,,,
O=C(CCn1c(=O)oc2ccccc21)Nc1cccc(Cl)c1,CID2224537,0.0,0.0,,0.0,,,0.0,0.0,,0.0,,,,0.0,,,0.0
Cc1ccc(NC(=O)CCn2c(=O)oc3ccccc32)cc1,CID2971618,,,0.0,0.0,0.0,,,,,,0.0,0.0,0.0,,,,0.0
Cc1ccccc1NC(=O)CCn1c(=O)oc2ccccc21,CID3491374,,,,,0.0,,,0.0,,,,,0.0,,,,
O=C(CCn1c(=O)oc2ccccc21)Nc1ccccc1,CID644592,,,,,0.0,0.0,0.0,,,,,0.0,,,0.0,,
CCOc1ccccc1NC(=O)CCn1c(=O)oc2ccccc21,CID3245387,,,,,,0.0,,0.0,,,0.0,,,,,,0.0
Cc1ccc(NC(=O)CCn2c(=O)oc3ccccc32)c(C)c1,CID3163773,,,0.0,,0.0,0.0,0.0,0.0,,,,,,,,,0.0
COC(=O)c1ccc(NC(=O)CCn2c(=O)oc3ccccc32)cc1,CID3163770,,,,,,0.0,,0.0,0.0,,0.0,,0.0,,,0.0,
CCOc1ccc(OCC)c(NC(=O)CCn2c(=O)oc3ccccc32)c1,CID3241900,,,0.0,,,,,,,,,,,,,0.0,0.0
COc1ccc(N2CCN(C(c3ccccc3)c3sc4nc(C)nn4c3O)CC2)cc1,CID3603126,0.0,,,0.0,,,,,,,,,0.0,,,0.0,
COc1ccc(C(c2sc3ncnn3c2O)N2CCN(c3ccccc3F)CC2)cc1OC,CID5310393,,,0.0,,,,,,,,,,,,,,
Cc1nc2sc(C(c3ccc(Cl)cc3)N3CCN(c4ccccc4F)CC3)c(O)n2n1,CID3242145,0.0,0.0,,0.0,0.0,,,,,,0.0,,,,,,
Cc1ccc(C(c2sc3nc(C)nn3c2O)N2CCN(c3ccccc3)CC2)cc1,CID3243699,0.0,,,,,,,,,,,,,,,,
Cc1nc2sc(C(c3ccccc3)N3CCN(c4ccccc4F)CC3)c(O)n2n1,CID3236654,0.0,,,,,,,,,,0.0,,,,,,
Cc1ccc(C(c2sc3nc(C)nn3c2O)N2CCN(c3ccccc3F)CC2)cc1,CID3243092,0.0,,,,,,,,,,,,,,,0.0,0.0
COc1cc(C(c2sc3ncnn3c2O)N2CCN(c3ccccc3F)CC2)cc(OC)c1OC,CID5310247,,,,,,,,,,,,,,,,,0.0
Cc1ccc(C(c2sc3nc(C)nn3c2O)N2CCN(c3ccc(F)cc3)CC2)cc1,CID3244902,0.0,,,,,,,,,0.0,,,,,,0.0,
COc1cc(C(c2sc3nc(C)nn3c2O)N2CCN(c3ccccc3)CC2)cc(OC)c1OC,CID3636712,0.0,,,,,,,,,,,,,,,0.0,
COc1cccc(C(c2sc3nc(C)nn3c2O)N2CCN(c3ccccc3F)CC2)c1,CID3428342,,,0.0,,,,,,,0.0,,,,,,,
Cc1nc(NCCO)c2nnn(Cc3ccccc3F)c2n1,CID653293,,0.0,,0.0,,,0.0,,,,,,,,,,
C#CCNc1nc(C)nc2c1nnn2Cc1ccccc1F,CID645666,,,,0.0,,,,,,,,,,,,,
CC(C)CCNc1ncnc2c1nnn2Cc1ccccc1Cl,CID649847,,0.0,0.0,,,,,,,,0.0,,,,,,
CCOC(=O)C(C(=O)OCC)c1nc(C)nc2c1nnn2Cc1ccccc1Cl,CID647189,,,,,,,0.0,,,,,,,,,,
CCOCCCNc1nc(C)nc2c1nnn2Cc1c(F)cccc1Cl,CID3229419,,,,,,,,,,,,,,,0.0,,
CCOC(=O)C(C(C)=O)c1nc(C)nc2c1nnn2Cc1ccccc1Cl,CID650958,,,0.0,,,,,,,,,,,,,,
C#CCNc1nc(CC)nc2c1nnn2Cc1ccccc1F,CID646630,,0.0,,0.0,,,,,,,,,0.0,0.0,,,
CC(C)(C)NC(=O)CSc1ncnc2c1nnn2Cc1ccccc1Cl,CID650829,,,,,,,,,,,,,0.0,,,0.0,
C#CCNc1nc(C(C)C)nc2c1nnn2Cc1ccccc1F,CID654536,,0.0,,,,,0.0,,,,,,,,,,
COCCNc1nc(C(C)(C)C)nc2c1nnn2Cc1ccccc1Cl,CID652027,,,0.0,,,,0.0,,,,0.0,,,,,,
COc1ccc(C2C(C#N)=C(N)Oc3cc(O)ccc32)cc1OC,CID647131,0.0,,,,0.0,,,0.0,,,0.0,,0.0,,,,
CN(C)c1ccc2c(c1)OC(N)=C(C#N)C2c1cccc(F)c1,CID2844723,,,,0.0,,,,0.0,,,,,,,,,
N#CC1=C(N)Oc2cc(O)ccc2C1c1ccccc1,CID604603,0.0,,,0.0,0.0,,,,,,,,,,,0.0,
CCOc1ccc(Br)cc1C1C(C(=O)OC)=C(N)Oc2cc(N(C)C)ccc21,CID4416036,,,,,,,,,0.0,,,,,,,,
COC(=O)C1=C(N)Oc2cc(N(C)C)ccc2C1c1ccccc1OC,CID649086,0.0,,,0.0,,,,0.0,,,0.0,0.0,,,,,
COc1cc(C2C(C#N)=C(N)Oc3cc(N)ccc32)cc(OC)c1OC,CID657713,0.0,,,,0.0,,,0.0,,,,,,,,0.0,
COc1ccc(OC)c(C2C(C#N)=C(N)Oc3cc(N)ccc32)c1,CID2838767,,,,0.0,,,,,,,,,,,,0.0,
COc1ccc(C2C(C#N)=C(N)Oc3cc(N)ccc32)cc1OC,CID2838739,,,,,,,,,,,,,,,,0.0,
CCOc1ccccc1C1C(C#N)=C(N)Oc2cc(N)ccc21,CID2839621,,,,,,,,,,,,0.0,,,,,
N#CC1=C(N)Oc2cc(N)ccc2C1c1ccc(F)cc1,CID3122239,,,,,,,,,,,,,,,0.0,,
CCOc1cc(C2NC(=O)NC(C)=C2C(=O)OCc2ccccc2)ccc1O,CID647137,0.0,,0.0,0.0,,,,,0.0,,,,,,,0.0,0.0
COc1ccc(COC(=O)C2=C(C)NC(=O)NC2c2ccc(O)c(OC)c2)cc1,CID2855196,0.0,,,,0.0,,,,,,,,,,,,0.0
COc1cc(C2NC(=O)NC(C)=C2C(=O)OCc2ccccc2)ccc1O,CID2855847,0.0,,,0.0,0.0,,,,0.0,,,,,,,,
CC1=C(C(=O)OCc2ccccc2)C(c2ccc(N(C)C)cc2)NC(=O)N1,CID3090147,,,,,,,,,0.0,,,0.0,,,,,
CC1=C(C(=O)OCc2ccc(C)cc2)C(c2ccc(O)c([N+](=O)[O-])c2)NC(=O)N1,CID2855781,,,,,,,,,,,,,,0.0,,,
COc1cc(C2NC(=O)NC(C)=C2C(=O)OCc2ccc(C)cc2)cc(OC)c1O,CID2917109,,,,,,,,0.0,,,,,,,,0.0,
CC1=C(C(=O)OCc2ccc(C)cc2)C(c2cccc(O)c2)NC(=O)N1,CID3812758,,,,,,0.0,,,,,,,,,,,
CCCOc1ccccc1C1NC(=O)NC(C)=C1C(=O)OCc1ccccc1,CID3103183,,,,,,,,,0.0,0.0,,,,,,,
CC1=C(C(=O)OCc2ccccc2)C(c2ccccc2OC(F)F)NC(=O)N1,CID2921163,,,,0.0,,,,,,,,,,,,,0.0
CC1=C(C(=O)OCc2ccccc2)C(c2ccc(C#N)cc2)NC(=O)N1CCCC(=O)O,CID5461595,,,,,,,,,,,,,,,0.0,,
COc1ccccc1N(C(C)=O)C1SC(=O)N(c2ccccc2)C1=O,CID3236361,0.0,0.0,,,,,,,0.0,,,,0.0,,,,
COc1cccc(NC2SC(=O)N(c3ccccc3)C2=O)c1,CID3097584,0.0,,0.0,,0.0,,,,,,,,,,,,
COc1ccccc1NC1SC(=O)N(c2ccccc2)C1=O,CID649284,0.0,0.0,,,0.0,,0.0,0.0,,,0.0,,0.0,,,,0.0
Cc1cccc(N2C(=O)SC(N(C)c3ccccc3)C2=O)c1,CID654763,,0.0,0.0,,0.0,,,,,,,,,,,,
CC(=O)N(c1cccc(C)c1)C1SC(=O)N(c2ccccc2)C1=O,CID649976,,,0.0,,,,,,,0.0,0.0,,,,,,0.0
Cc1ccc(N2C(=O)SC(N(CC(=O)O)c3cccc(C)c3)C2=O)cc1,CID2999776,,,,,,0.0,,,,0.0,,,,,,,
CC(=O)N(c1ccccc1)C1SC(=O)N(c2ccccc2)C1=O,CID2848909,0.0,0.0,,,,0.0,,0.0,0.0,,0.0,,0.0,0.0,,,0.0
Cc1cccc(N(CC(N)=O)C2SC(=O)N(c3ccccc3)C2=O)c1,CID650584,,0.0,,,0.0,,,,,,0.0,,,,,,
Cc1cccc(N2C(=O)SC(N(CC(=O)O)c3cccc(C)c3)C2=O)c1,CID4324010,,,,,,,,0.0,,,,,,,0.0,0.0,
Cc1cccc(NC2SC(=O)N(c3ccccc3)C2=O)c1,CID2848829,0.0,,0.0,,0.0,,0.0,,,0.0,,,,,,,
CC(=O)c1cc(NC(=O)c2ccc(C)cc2)c(=O)oc1C,CID1483056,,,,,,,,,,,,,,,0.0,,
COC(=O)c1cc(NC(=O)c2ccc(OC)cc2)c(=O)oc1C,CID1473626,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)Nc2cc(C(C)=O)c(/C=C/N(C)C)oc2=O)cc1,CID1473628,,,,,,0.0,,,,,,,,0.0,,,
CO/N=C/Cc1oc(=O)c(NC(=O)c2ccccc2)cc1C(=O)OC,CID2765659,,,,,,,,,,,,,,,0.0,,
COC(=O)c1cc(NC(=O)c2ccccc2)c(=O)oc1C,CID2763734,,,,,,,,,,,,,,0.0,,,
CC(=O)c1cc(NC(=O)c2ccc(C)cc2)c(=O)oc1/C=C/N(C)C,CID1475605,,,,,,,,,,,,0.0,,,,,
CC(=O)c1cc(NC(=O)c2cccc(C(F)(F)F)c2)c(=O)oc1/C=C/N(C)C,CID1475738,,,,,,,,,,,,0.0,,,,,
COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(=O)oc1C,CID1475735,,,,,,,,,,,,,,,0.0,,
CC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(=O)oc1C,CID1475731,,,,,,,,,,,,,,,0.0,,
CCN(CC)CCn1c2ccccc2c2nc(C)sc21,CID664312,,0.0,0.0,0.0,,,,,,,,,,,,,
CCOC(=O)Cn1c2ccccc2c2nc(C)sc21,CID1967638,,,,,,,,,,,,,,0.0,,,
COC(=O)Cn1c2ccc(F)cc2c2nc(C)sc21,CID666834,,0.0,,,,,,,,,0.0,,,,0.0,,
COC(=O)Cn1c2ccccc2c2nc(C)sc21,CID953929,,,,,,,0.0,,,,,,,,0.0,0.0,
Cc1nc2c([nH]c3ccc(Br)cc32)s1,CID945164,,,,,,,,,0.0,,,,,,,,
CCc1ccc2c(c1)c1nc(C)sc1n2CC,CID664372,,,,,,0.0,,,,0.0,,,,,,,
CC(=O)n1c2ccccc2c2nc(NC(C)C)sc21,CID658168,,,,,,,,,,,,,0.0,,,,0.0
COC(=O)Cn1c2ccc(C)cc2c2nc(C)sc21,CID1948646,,,,,,0.0,,,,,,,,,,,
C=CCNc1nc2c3ccccc3n(C(C)=O)c2s1,CID658073,,,,0.0,,,,,,,0.0,,,,,,
Cc1ccc(C2N(c3cc(C)on3)C(=O)C3CCCN32)cc1,CID3243106,,,,,,,,0.0,,,,,,,,,
COc1ccc(OC)c(C2N(c3cc(C)on3)C(=O)C3CCCN32)c1,CID3238192,,,,0.0,,,,0.0,,,,,0.0,,,,
COc1cc(OC)c(C2N(c3cc(C)on3)C(=O)C3CCCN32)cc1OC,CID3242391,,0.0,,,,0.0,,,,,,,0.0,,,,
Cc1cc(N2C(=O)C3CCCN3C2c2ccc(Cl)c(Cl)c2)no1,CID3244110,0.0,,,,,,,,,,,,0.0,,,,
Cc1cc(N2C(=O)C3CCCN3C2c2cccc(Cl)c2)no1,CID3236701,0.0,0.0,,0.0,,,,,,,,,,,,0.0,0.0
COc1ccc(C2N(c3cc(C)on3)C(=O)C3CCCN32)cc1OC,CID3243448,,,,,,0.0,0.0,,,,,,0.0,,,,
CCOc1ccc(C2N(c3cc(C)on3)C(=O)C3CCCN32)cc1OC,CID3241725,,,,,0.0,,,0.0,,,,,,,,,
Cc1cc(N2C(=O)C3CCCN3C2c2ccccc2)no1,CID3240747,,0.0,,0.0,,0.0,,,,0.0,,,0.0,,,,
COc1cc(C2N(c3cc(C)on3)C(=O)C3CCCN32)cc(OC)c1OC,CID3244801,,,,,0.0,,0.0,,,,,,,,,,
CCN1CCN(C(c2cccs2)C(C)NC(=O)c2cccc(OC)c2OC)CC1,CID3238662,,,,0.0,,,,0.0,,,,,,,,,
COc1cccc(C(=O)NC(C)C(c2cccs2)N2CCN(C)CC2)c1,CID3242103,,,,0.0,,,,0.0,,,,,,,,,
CCN1CCN(C(c2cccs2)C(C)NC(=O)c2ccccc2F)CC1,CID3236467,0.0,,0.0,,,,,,,,0.0,,0.0,,,,0.0
CC(NC(=O)c1ccc(N(C)C)cc1)C(c1cccs1)N1CCN(C)CC1,CID3245574,,,,,,,,,,,,,,,,0.0,
CC(NC(=O)c1cccc(F)c1)C(c1cccs1)N1CCN(C)CC1,CID3242712,0.0,,,,,,,,,,,,,,,0.0,0.0
CCN1CCN(C(c2cccs2)C(C)NC(=O)c2c(F)cccc2F)CC1,CID3237268,0.0,0.0,,,0.0,,,,,0.0,,0.0,,,,,0.0
CCN1CCN(C(c2cccs2)C(C)NC(=O)c2ccccc2)CC1,CID5310520,,,,,,,,,,0.0,,,,,,,
COc1ccccc1C(=O)NC(C)C(c1cccs1)N1CCN(C)CC1,CID3244176,,,,0.0,,,0.0,0.0,,,0.0,,,,,,
CC(NC(=O)c1ccc(F)cc1)C(c1cccs1)N1CCN(C)CC1,CID3235762,0.0,,,0.0,,,,,,0.0,,,,,,,
CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2cccc(OC)c2)C1c1ccccn1,CID5389423,,,,0.0,,0.0,,,,,,,0.0,,,,
COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)C2c2ccccn2)cc1OC,CID5389394,,,,,,,,,,,,,0.0,,,,
CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)c(OC)c2)C1c1ccccn1,CID5739113,,,,,,,,0.0,,,0.0,,,,,,
O=C1C(=O)N(CCOCCO)C(c2ccccn2)/C1=C(\O)c1ccccc1,CID5878100,,,,,,,0.0,,,,,,0.0,,,,
CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCOCCO)C2c2ccccn2)cc1,CID5389657,,,0.0,,,,,,,,0.0,,,0.0,,,
Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCN(C)C)C2c2ccccn2)cc1,CID5389409,,,,,,,0.0,,,,,,,,,,
CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)C1c1ccccn1,CID5389351,,,,0.0,,,,,,,,,,,,,
COc1cccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)C2c2ccccn2)c1,CID5389352,,,0.0,,,,,,,,,0.0,,0.0,,,
CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)C1c1ccccn1,CID5389410,,,0.0,,,,,,,,,,,,,,
Cc1c(Cl)cccc1NC(=O)CCCN1C(=O)CCC1=O,CID974715,,,,,,,,,,0.0,,0.0,,0.0,,,
COc1ccc(NC(=O)CCCN2C(=O)CCC2=O)cc1Cl,CID974717,,,,,,,,,,0.0,,,,,0.0,,0.0
O=C(CCCN1C(=O)CCC1=O)Nc1ccc(Br)cc1F,CID2219836,,,,,,,,,0.0,,,,,,,,
COc1ccc(Cl)cc1NC(=O)CCCN1C(=O)CCC1=O,CID2219818,,,,,,0.0,,,,0.0,,,,,,,
Cc1cc(Cl)ccc1NC(=O)CCCN1C(=O)CCC1=O,CID2219810,,,,,,0.0,,,,,0.0,,,0.0,,,
O=C(CCCN1C(=O)CCC1=O)Nc1cccc(C(F)(F)F)c1,CID2219814,,,,0.0,,,,,0.0,,,,,,,,0.0
COc1cc(NC(=O)CCCN2C(=O)CCC2=O)c(OC)cc1Cl,CID2219832,,,,0.0,,,,,,0.0,,,,,,,
O=C(CCCN1C(=O)CCC1=O)Nc1ccccc1F,CID2219821,,,,,,0.0,,,,,,0.0,,,,,
NC(=O)c1ccccc1NC(=O)CCCN1C(=O)CCC1=O,CID2219826,,,,,,,,,,,,,0.0,,,,
COc1ccc(NC(=O)CSc2nccn2-c2cccc(OC)c2)cc1,CID3244885,0.0,,0.0,,0.0,,,,,0.0,,,,,,,0.0
COc1cccc(-n2ccnc2SCC(=O)Nc2cc(OC)ccc2OC)c1,CID3243489,0.0,,,,0.0,,,,,,,,,,,,0.0
COc1cccc(NC(=O)CSc2nccn2-c2cccc(OC)c2)c1,CID3244086,0.0,,,,0.0,,,0.0,,,,0.0,,,,,
COc1ccc(-n2ccnc2SCC(=O)Nc2ccc(OC)cc2OC)cc1,CID3245475,0.0,0.0,,0.0,0.0,,,,,0.0,,,,,,,
COc1ccc(-n2ccnc2SCC(=O)Nc2ccccc2)cc1,CID866706,,,,,0.0,0.0,,,,,,,,0.0,,0.0,0.0
COc1cccc(-n2ccnc2SCC(=O)Nc2ccccc2)c1,CID866704,0.0,0.0,,0.0,0.0,0.0,,0.0,,,,,,0.0,,0.0,
COc1ccc(NC(=O)CSc2nccn2-c2ccccc2)c(OC)c1,CID3245032,0.0,,,,0.0,,0.0,,,,,,,,,,
COc1ccc(NC(=O)CSc2nccn2-c2ccccc2)cc1,CID866671,0.0,,,0.0,0.0,,0.0,0.0,,,0.0,,0.0,0.0,,0.0,0.0
CCOc1ccccc1NC(=O)CSc1nccn1-c1ccccc1,CID3241796,0.0,,,,0.0,,,,,,0.0,,,,,0.0,
Cc1nn(Cc2ccc(C(=O)Nc3ccc(C(=O)OC(C)C)cc3)o2)c(C)c1Cl,CID2164602,0.0,,0.0,,,,,,,,,,,,,0.0,0.0
COC(=O)c1cc(NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)cc(C(=O)OC)c1,CID653325,,,,,,,,,,,,,,,,0.0,
O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(Cn2cc(Br)cn2)o1,CID2193059,0.0,,,,,,,,,,,,,,,,
CCc1cccc(NC(=O)c2ccc(Cn3nc(C)cc3C)o2)c1,CID1224519,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)cc(NC(=O)c2ccc(Cn3nc(C)c(Cl)c3C)o2)c1,CID994876,,,,,,,,,,0.0,,,,,,,
CCNS(=O)(=O)c1ccc(NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)cc1,CID4071285,,,,,,,,,,,,,,,0.0,,
Cc1ccc(NC(=O)c2ccc(Cn3cc(Br)cn3)o2)cc1,CID1017772,,,,,,,,,0.0,,,0.0,,,,,
COC(=O)c1ccccc1NC(=O)c1ccc(Cn2cc(Cl)cn2)o1,CID3153926,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1,CID1225356,,,,,,,,,,,,,,,0.0,,
Cc1cccc(OCc2nnc(SCC(=O)c3ccccc3)o2)c1,CID644456,,,,,,,,0.0,,0.0,0.0,,,0.0,,,
COc1ccc(OCc2nnc(SCC(=O)c3ccccc3)o2)cc1,CID1134874,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)cc(OCc2nnc(SCC(=O)c3ccccc3)o2)c1,CID647838,0.0,,0.0,,,,,,,,,,,,,0.0,
COc1ccccc1OCc1nnc(SCC(=O)c2cc(Cl)ccc2OC)o1,CID645171,0.0,,,,0.0,,,,,,,,0.0,,0.0,,0.0
Cc1cc(C)cc(OCc2nnc(SCC(=O)c3ccc(Br)cc3)o2)c1,CID2304191,0.0,,,,,,0.0,,0.0,,,,,,,,0.0
Cc1ccc(C(=O)CSc2nnc(COc3cc(C)cc(C)c3)o2)cc1,CID655296,,,,,,,0.0,,,0.0,,,0.0,0.0,,,
Cc1ccc(C(=O)CSc2nnc(COc3cccc(C)c3)o2)cc1,CID648640,0.0,,0.0,0.0,,,,,,0.0,,,,0.0,,,
Cc1ccc(C(=O)CSc2nnc(COc3ccccc3)o2)cc1,CID864812,,,,,,,,,,,,,,0.0,,,
O=C(CSc1nnc(COc2ccccc2)o1)c1ccccc1,CID2222060,,,,,,0.0,,,,0.0,0.0,,,0.0,,,
CC1=C(C(=O)OCC(C)C)C(c2cc3c(cc2Br)OCO3)NC(=O)N1C,CID2864940,,,,,,,0.0,,0.0,,0.0,0.0,,,,0.0,0.0
CCCOC(=O)C1=C(C)N(C)C(=O)NC1c1cc2c(cc1[N+](=O)[O-])OCO2,CID2863233,,,,,,,,,,,,,,,0.0,,
C=CCOC(=O)C1=C(C)N(C)C(=O)NC1c1cc2c(cc1Br)OCO2,CID2864879,0.0,,,,,,,,0.0,,0.0,,,,,0.0,
CCOC(=O)C1=C(C)NC(=O)NC1c1cc2c(cc1Br)OCO2,CID645729,0.0,,,,,,0.0,,0.0,,,0.0,,,,0.0,0.0
CCOC(=O)C1=C(C)N(C)C(=O)NC1c1cc2c(cc1Br)OCO2,CID648797,0.0,,,,,,0.0,,0.0,,0.0,,,,,,0.0
CCOC(=O)C1=C(C)NC(=O)NC1c1ccc2c(c1)OCO2,CID660084,0.0,,0.0,,0.0,,0.0,0.0,,,,0.0,,,,,0.0
COC(=O)C1=C(C)N(C)C(=O)NC1c1cc2c(cc1[N+](=O)[O-])OCO2,CID2855056,,,,,,,,,,,,,,,0.0,,
CCOC(=O)C1=C(C)N(C)C(=O)NC1c1cc2c(cc1[N+](=O)[O-])OCO2,CID2882401,,,,,,,,,,,,,,,0.0,,
CCSCCOC(=O)C1=C(C)NC(=O)NC1c1ccc2c(c1)OCO2,CID3103180,,,,0.0,0.0,,0.0,,,,,,,,,0.0,
CCCCn1nc(C(=O)O)ccc1=O,CID1965473,,,,,,,,0.0,,,,0.0,,0.0,,,
COC(=O)C(C)Oc1ccc(=O)[nH]n1,CID645080,,0.0,,,,,,,,0.0,,,,,,,
CCn1ncc(N(C)N)c(Cl)c1=O,CID2769256,,,,,,,,,,,,,,,0.0,,
CN(C)CCCNc1cn[nH]c(=O)c1Cl,CID546968,,,,,,,,,,0.0,,,,,,,
CCOC(=O)C(Oc1ccc(=O)[nH]n1)C(C)=O,CID659652,,,,,,,,,,0.0,,,,,,,
Cn1nc(OCC(N)=O)ccc1=O,CID648077,,,0.0,0.0,,,,,,,,0.0,0.0,,,,
COc1cnn(C(C)(C)C)c(=O)c1Cl,CID796350,,,,,,,,,,,,,,0.0,,,
C=CCn1ncc(OC)c(Cl)c1=O,CID2223577,,,,,,,,,,,,0.0,,,0.0,,
CCCCN(CCCC)c1cn[nH]c(=O)c1Cl,CID1646757,,,,,,,,,,0.0,,,,,,,
COc1ccc(C(=O)OCC(=O)NCc2ccco2)cc1OC,CID2355594,,,,,0.0,,,,,,,,,0.0,,0.0,
CCOc1cc(C(=O)OCC(=O)NCc2ccco2)cc(OCC)c1OCC,CID2997959,,,0.0,,,,,,,,,,,,,,
Cc1ccc(C(=O)OCC(=O)NCc2ccco2)cc1,CID2437512,,,,,,,,,0.0,0.0,,,,,0.0,,
O=C(COC(=O)c1ccccc1)NCc1ccco1,CID2346231,,,0.0,,,0.0,,,,1.0,,,0.0,,,0.0,
CSc1ccc(Cl)c(C(=O)OCC(=O)NCc2ccco2)c1,CID2437659,0.0,,,,,,,,,0.0,,,,,,,0.0
COc1cc(C(=O)OCC(=O)NCc2ccco2)cc(OC)c1OC,CID2115705,,,,,0.0,,,,,,,,0.0,,0.0,0.0,0.0
Nc1cc(C(=O)OCC(=O)NCc2ccco2)ccc1Cl,CID2389382,0.0,,,0.0,,,,,,0.0,,0.0,,,,,
CN(C)c1cccc(C(=O)OCC(=O)NCc2ccco2)c1,CID2432869,,,,,,,0.0,,,0.0,,0.0,0.0,,,0.0,
CCOc1ccc(C(=O)OCC(=O)NCc2ccco2)cc1OCC,CID2352576,,,0.0,,,,,,,,,0.0,,,0.0,,
Cn1c(=O)c2c(nc(NCc3ccccc3)n2C)n(C)c1=O,CID64137,,,0.0,0.0,,,,,,,,0.0,0.0,,,,
CCOCCn1c(N(C)Cc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,CID646205,,0.0,,,,0.0,0.0,,,,,,,,,,
CCCCCn1c(N(C)Cc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,CID3812774,,,,0.0,,,,0.0,,,,,0.0,,,,
COCCn1c(NCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,CID653835,,0.0,,,,,0.0,,,,,,,,,,
Cc1ccc(CNc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1,CID664133,,0.0,,0.0,,,,0.0,,,0.0,0.0,0.0,,0.0,,
CN(Cc1ccccc1)c1nc2c(c(=O)[nH]c(=O)n2C)n1C,CID664989,,,0.0,,,,,,,,,0.0,,,,,
C/C=C/Cn1c(N(C)Cc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,CID5310000,0.0,,,,,,0.0,0.0,,,0.0,,,,,,
COCCn1c(NCc2ccc(C)cc2)nc2c1c(=O)[nH]c(=O)n2C,CID652013,,0.0,,,,,,,,,,,0.0,,,,
C=C(C)Cn1c(N(CCO)Cc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,CID1081555,,,,,,,,,,,0.0,0.0,,,,,
CCCNc1cc(C)c(C#N)c2nc3ccccc3n12,CID3157181,,,,,,,,,,,,,,0.0,,,
Cc1cc(NCCCCO)n2c(nc3ccccc32)c1C#N,CID645217,,,,0.0,,,,,,,,0.0,,,,,
CCc1c(C)c(C#N)c2nc3ccccc3n2c1N(C)C,CID650729,,,,0.0,,,,0.0,,,,0.0,,,,,
O=[N+]([O-])c1ccc2nc3ccccc3n2c1,CID827481,,,,,,,,,,,,,,,0.0,,
Clc1ccc2nc3ccccn3c2c1,CID658752,,,0.0,,,,,,,0.0,,,,,,,0.0
COC(=O)c1c(C)cc(C)n2c1nc1ccccc12,CID652200,,,,,,0.0,,0.0,,,,,0.0,,,,
COCCN(CCOC)c1cc(C)c(C#N)c2nc3ccccc3n12,CID665778,,0.0,0.0,,,,,,,,,,,,,,
CCCc1cc(NCCCCO)n2c(nc3ccccc32)c1C#N,CID662021,,,,0.0,,0.0,,,,,,,,,,,
COCCNc1cc(C)c(C#N)c2nc3ccccc3n12,CID660136,,,0.0,,,,0.0,0.0,,,,0.0,,,,,
COC(=O)c1ccc(OC)c(CSc2nnc(COc3ccccc3)o2)c1,CID654156,,,,,0.0,,,,,0.0,,,0.0,0.0,,0.0,
O=C(O)c1ccc(CSc2nnc(COc3ccccc3)o2)cc1,CID1249764,,,,,,,,,,,,,,0.0,,,
COc1ccc(OCc2nnc(SCc3ccc(C(=O)O)cc3)o2)cc1,CID1151514,,,,,,,,,,,,,,0.0,,,
O=C(O)c1ccc(CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1,CID1208614,,,0.0,,,,,,,,,,,,,,
COC(=O)c1ccc(OC)c(CSc2nnc(COc3ccc(OC)cc3)o2)c1,CID647586,,,,,,,,0.0,,,,,,,,,
CCc1ccc(OCc2nnc(SCc3ccc(C(=O)O)cc3)o2)cc1,CID1151486,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccc(OC)c(CSc2nnc(COc3ccc(Cl)cc3)o2)c1,CID650867,0.0,0.0,0.0,,0.0,,,,,0.0,,,,,0.0,,
O=C(O)c1cccc(CSc2nnc(COc3ccccc3)o2)c1,CID2221957,,,,0.0,,,,,0.0,,0.0,,0.0,0.0,,,
COC(=O)c1ccc(OC)c(CSc2nnc(COc3cccc(C)c3)o2)c1,CID649574,,,0.0,,0.0,,,0.0,,0.0,,,0.0,0.0,,,
CC(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C,CID5952,,,,,,,,,,0.0,,,,,,,
CC(=O)C1(O)CCC2C3CC(C)C4=CC(=O)CCC4(C)C3CCC21C,CID10631,,,,,,,,,,0.0,,,,,,,
C#CC1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C,CID5284557,,,,,,,0.0,,,,,,,,,,
CC(=O)OC1(C(C)=O)CCC2C3CC(C)C4=CC(=O)CCC4(C)C3CCC21C,CID6279,,,,,,,0.0,,,0.0,,,,,,,
CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12,CID5753,,,,,,,0.0,,,,,,,,,,0.0
CC12CCC(=O)C=C1CCC1C2CCC2(C)C1CCC2(O)CC#N,CID2997791,,,,,,,,,,,,,,,,,0.0
CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)COC(=O)CCC(=O)O,CID16623,,,,,,,0.0,,,,,,,,,,
CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO,CID5754,,,,,,,,,,,,,,,,,0.0
CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C,CID92827,,,,,,,,,,,,,,,,,0.0
Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)CC(C)C,CID958620,0.0,0.0,,0.0,0.0,,0.0,,,,,,0.0,,0.0,,
Nc1cc(-c2nc3ncccc3o2)ccc1Cl,CID675394,,,,,,,,,,0.0,,,,,0.0,,
Cc1ccc(-c2nc3ncccc3o2)cc1N,CID774969,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)CC(C)C,CID696894,,,,,,,,,,,,,,0.0,0.0,,
Cc1cc(-c2nc3ncccc3o2)ccc1N,CID656359,,,,,,,,,,,,0.0,,0.0,,0.0,
CCCC(=O)Nc1cc(-c2nc3ncccc3o2)ccc1C,CID718615,,,,,,,,,,,0.0,0.0,,,,,
CCCCCC(=O)Nc1cccc(-c2nc3ncccc3o2)c1,CID3245177,0.0,0.0,,,,,,0.0,,,,,,,0.0,,
CCCCC(=O)Nc1cccc(-c2nc3ncccc3o2)c1,CID659927,0.0,0.0,,0.0,0.0,,,0.0,0.0,,,0.0,0.0,0.0,,,
Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1,CID736351,0.0,,,0.0,,,0.0,,,,,,,,0.0,0.0,0.0
O=C1C2CCCN2C(c2ccc(Cl)cc2)N1c1ccccn1,CID3244208,0.0,,,,,,,,,,,,,,,,0.0
O=C1C2CCCN2C(c2ccc(Cl)c(Cl)c2)N1c1ccccn1,CID3236532,0.0,,,,,,,,0.0,,,,,,,,
COc1cccc(C2N(c3ccccn3)C(=O)C3CCCN32)c1OC,CID3237336,,,0.0,,0.0,0.0,,,,,,,,,,,
O=C1C2CCCN2C(c2ccccc2)N1c1ccccn1,CID3241816,,,0.0,,,,,,,,,,,,,,0.0
O=C1C2CCCN2C(c2cccc(Cl)c2)N1c1ccccn1,CID3243306,0.0,,,,,0.0,,,,,,,,,,0.0,0.0
COc1cc(C2N(c3ccccn3)C(=O)C3CCCN32)cc(OC)c1OC,CID3237944,,,,,0.0,,0.0,0.0,,,,0.0,,,,,
COc1cc(OC)c(C2N(c3ccccn3)C(=O)C3CCCN32)cc1OC,CID3244792,,,,,0.0,0.0,,,0.0,,,,,,,0.0,0.0
COc1ccc(OC)c(C2N(c3ccccn3)C(=O)C3CCCN32)c1,CID3245599,,,,,0.0,,,0.0,,,,,,,,,0.0
COc1ccc(C2N(c3ccccn3)C(=O)C3CCCN32)c(OC)c1,CID3243906,,,,0.0,0.0,,,,,,,,0.0,,,0.0,
CCN(CC)S(=O)(=O)c1ccc(C(=O)OCn2nnc3ccccc3c2=O)cc1,CID2557756,,,,0.0,,,,,,,,,,,,,0.0
COc1ccc(C(=O)OCn2nnc3ccccc3c2=O)cc1,CID866908,,,,,,,,,,,,,,0.0,0.0,,
COc1cccc(C(=O)OCn2nnc3ccccc3c2=O)c1OC,CID866912,,,,0.0,,,0.0,,,,,,,,,,
COc1cc(C(=O)OCn2nnc3ccccc3c2=O)cc(OC)c1OC,CID2636772,,,0.0,,,,,0.0,,,,,,,0.0,,
COc1ccccc1C(=O)OCn1nnc2ccccc2c1=O,CID866920,,,0.0,0.0,,,,,,,,,0.0,,,,
COc1cccc(C(=O)OCn2nnc3ccccc3c2=O)c1,CID866921,,,0.0,,,,,0.0,,,,,,0.0,,,
COc1ccc(C(=O)OCn2nnc3ccccc3c2=O)cc1OC,CID866927,,,0.0,0.0,,,,,,,,,0.0,,0.0,,
Cc1ccccc1C(=O)OCn1nnc2ccccc2c1=O,CID694208,,0.0,0.0,,,,,0.0,0.0,,,,0.0,0.0,,,
CCOc1ccc(C(=O)OCn2nnc3ccccc3c2=O)cc1OC,CID2501418,,,0.0,,,,,0.0,,,0.0,,0.0,,,,0.0
Cc1nc2nc(-c3ccc(Cl)cc3)[nH]n2c(=O)c1C,CID2039206,,,,,,,,,,,,,,,0.0,,
Cc1nc2nc(-c3ccccc3)[nH]n2c(=O)c1C,CID2967534,,,,,,,,,,,0.0,0.0,,,,,
COC(=O)Cc1c(C)nc2nc(-c3ccccc3)[nH]n2c1=O,CID1248403,,,0.0,,,,,,,,,,0.0,,0.0,,
Cc1cc(=O)n2[nH]c(-c3ccc(F)cc3)nc2n1,CID652934,,0.0,,0.0,,,,0.0,,,,,0.0,,,,
COC(=O)Cc1c(C)nc2nc(-c3ccc(Cl)cc3)[nH]n2c1=O,CID1851779,,,,,,0.0,,,,,,,,,0.0,,
CCCc1cc(=O)n2[nH]c(-c3cc(OC)c(OC)c(OC)c3)nc2n1,CID1266452,,,0.0,,,,,,0.0,,,0.0,,,,,0.0
CCCc1cc(=O)n2[nH]c(-c3ccc(OC)cc3)nc2n1,CID1851458,,,,,,0.0,,,,,,0.0,,,,,
COc1ccc(-c2nc3nc(C)cc(=O)n3[nH]2)cc1,CID707923,,,,,,,,,0.0,,,,,,0.0,,
COC(=O)Cc1c(C)nc2nc(-c3ccc(OC)cc3)[nH]n2c1=O,CID666850,,,,,,,,0.0,,,,,,,,,
COc1ccc(-c2c(C)oc3c(CN4CCN(C)CC4)c(O)ccc3c2=O)cc1,CID5308533,0.0,,,0.0,,,,0.0,,,,,,,,,
CCN1CCN(Cc2c(O)ccc3c(=O)c(-c4ccc(OC)c(OC)c4)c(C)oc23)CC1,CID5389776,,,,,,0.0,,0.0,0.0,,,,0.0,,,,
CCOC(=O)c1oc2c(CN3CCN(C)CC3)c(O)ccc2c(=O)c1-c1ccccc1OC,CID5308154,,,,0.0,,,,,,,0.0,,,,,0.0,
COc1ccc(-c2c(C(F)(F)F)oc3c(CN4CCN(C)CC4)c(O)ccc3c2=O)cc1,CID5389798,,,,,,,,,,,,,,,,,0.0
COc1ccccc1-c1coc2c(CN3CCN(CCO)CC3)c(O)ccc2c1=O,CID5389856,,,,,,,,,,,,,,,,,0.0
COc1ccccc1-c1coc2c(CN3CCN(C)CC3)c(O)ccc2c1=O,CID5310630,,,,,,,,,,,0.0,,,,,,
COc1ccccc1-c1c(C)oc2c(CN3CCN(C)CC3)c(O)ccc2c1=O,CID5390070,,,,0.0,,,,,,,,,0.0,,,,
COc1ccc(-c2c(C)oc3c(CN4CCN(CCO)CC4)c(O)ccc3c2=O)cc1OC,CID5389869,,,,,,,,,,,,,,,0.0,,
COc1ccccc1-c1c(C)oc2c(CN3CCN(CCO)CC3)c(O)ccc2c1=O,CID5389897,,,,,,,,,,,,0.0,,,,,
COc1ccc(NC(=O)CSc2nc(C)cs2)cc1OC,CID2533003,,,,,,0.0,,,,,0.0,,,,,,
COc1ccc(OC)c(NC(=O)CSc2nc(C)cs2)c1,CID2532858,,,0.0,,0.0,,0.0,,,,,,0.0,0.0,,,
CCOC(=O)Cc1csc(SCC(=O)Nc2cccc(Cl)c2)n1,CID2551014,,,,,,,,,0.0,,,,,0.0,,,
COc1cccc(NC(=O)CSc2nc(C)cs2)c1,CID2532845,,,,,,,,,,,,,,0.0,,,
CCOC(=O)Cc1csc(SCC(=O)Nc2cccc(C#N)c2)n1,CID2571299,0.0,0.0,,,0.0,,,,0.0,,0.0,,,0.0,,,
CCOC(=O)Cc1csc(SCC(=O)Nc2cc(C)ccc2OC)n1,CID2448957,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1sc(SCC(=O)Nc2ccc(N(C)C)cc2)nc1N,CID655273,,,,0.0,0.0,,,,0.0,0.0,,,,,,,
COc1cc(NC(=O)CSc2nc(C)cs2)cc(OC)c1,CID2533046,,,0.0,,0.0,,,,,,,,0.0,0.0,,,0.0
COc1ccc(NC(=O)CSc2nc(C)cs2)cc1,CID2532889,,,,,,,,,,,,,,0.0,0.0,,
Cc1cc(=O)[nH]c(=S)n1-c1ccccc1,CID3239037,,,,,0.0,,,,,,,,,,,,
O=c1cc(O)n(-c2ccc(Cl)cc2)c(=S)[nH]1,CID885501,,,,,,,,,,0.0,,,,,,,
Cc1ccccc1-n1c(N)cc(=O)[nH]c1=S,CID1253633,,0.0,,0.0,,,0.0,0.0,,,0.0,,,,,,
Cc1cccc(-n2c(N)cc(=O)[nH]c2=S)c1C,CID2243178,,0.0,,0.0,,,0.0,0.0,,0.0,,,0.0,,,,
Nc1cc(=O)[nH]c(=S)n1-c1cccc(C(F)(F)F)c1,CID1250113,,,,,,,,,0.0,,,,,,,,
Cc1cccc(-n2c(N)cc(=O)[nH]c2=S)c1,CID832308,,,,,,,,0.0,,,,,0.0,,,,
O=c1cc(O)n(-c2ccccc2F)c(=S)[nH]1,CID659104,,,,,,,,,,,,,,,,0.0,
Nc1cc(=O)[nH]c(=S)n1-c1ccccc1,CID1164574,,,,,,,,,,,,,,,0.0,,
O=c1cc(O)n(-c2ccc(F)cc2)c(=S)[nH]1,CID885397,,,,,,,,,,,0.0,,,,,,
CCOC(=O)c1ccc(NC(=O)CSc2nccn2C)cc1,CID648695,0.0,0.0,0.0,0.0,0.0,,,,,,0.0,,,,,0.0,
Cn1ccnc1SCC(=O)Nc1ccccc1,CID3142098,,,,,,,,,,,0.0,,,,,,
Cc1cccc(NC(=O)CSc2nccn2C)c1,CID712610,,,,,,,,,,0.0,,,,,,,
CCOc1ccc(NC(=O)CSc2nccn2C)cc1,CID677762,,0.0,,,0.0,,,,,0.0,,0.0,0.0,,,,0.0
COC(=O)c1ccccc1NC(=O)CSc1nccn1C,CID3000070,,0.0,0.0,,,,,,0.0,,0.0,0.0,,,,0.0,
Cn1ccnc1SCC(=O)Nc1cccc(C(F)(F)F)c1,CID3141765,,,,,0.0,,0.0,0.0,,,,,,,,,0.0
Cn1ccnc1SCC(=O)Nc1cccc(O)c1,CID581967,,,,,,,,,,,0.0,0.0,,,,,
CCCCOc1cccc(NC(=O)CSc2nccn2C)c1,CID3855458,0.0,,,0.0,0.0,,,,,,,,,,,,
CCOC(=O)c1ccccc1NC(=O)CSc1nccn1C,CID2999730,,,,,0.0,,0.0,,,,,,0.0,,,0.0,
COc1ccc(Cl)cc1N1C(=O)C2ON=C(c3cccc(OC)c3OC)C2C1=O,CID665900,,,,,,,,,,,0.0,,,,,0.0,
Cc1ccc(N2C(=O)C3ON=C(c4ccc(F)cc4)C3C2=O)cc1,CID665198,,,,,,,,0.0,,,,0.0,,,,,
COc1ccc(C2=NOC3C(=O)N(c4ccc(C)cc4C)C(=O)C23)cc1OC,CID666443,0.0,,,,,,,,,,,,,,,,
COc1ccc(C2=NOC3C(=O)N(c4c(C)cccc4C)C(=O)C23)cc1OC,CID667333,0.0,,,,0.0,0.0,,,,,,,,,,,
COc1ccc(OC)c(N2C(=O)C3ON=C(c4ccccc4Cl)C3C2=O)c1,CID665287,,0.0,,0.0,,0.0,,,,,,,0.0,,,0.0,0.0
COC(=O)c1ccccc1N1C(=O)C2ON=C(c3ccc(Br)cc3)C2C1=O,CID660300,0.0,,,,,,0.0,,0.0,,,,,,,,
COc1ccc(OC)c(C2=NOC3C(=O)N(c4cc(Cl)ccc4OC)C(=O)C23)c1,CID666063,,,0.0,,,,,,,,,,0.0,,,0.0,
COc1ccc(C2=NOC3C(=O)N(c4cccc(C)c4C)C(=O)C23)cc1OC,CID666039,0.0,,0.0,,0.0,,,,,,,,,,,0.0,
COC(=O)c1ccccc1N1C(=O)C2ON=C(c3ccc(F)cc3)C2C1=O,CID663618,,,0.0,,,,,,,,,,,,,,
CCCC1CCc2c(sc(NC(=O)c3cccs3)c2C(N)=O)C1,CID2862751,,,,,,,,,,0.0,,,,,,,
CC(C)OC(=O)c1c(NC(=O)c2cccs2)sc2c1CCCC2,CID870240,,,,,0.0,0.0,0.0,,,,0.0,,,0.0,,,
COCCCNC(=O)c1c(NC(=O)c2cccs2)sc2c1CCCC2,CID2130130,,,,,,,,,,0.0,,,,,0.0,,
COC(=O)c1c(NC(=O)c2cccs2)sc2c1CCCC2,CID645883,,,,,,,0.0,,,0.0,,,0.0,0.0,,,
CC(C)(C)C1CCc2c(sc(NC(=O)c3cccs3)c2C(N)=O)C1,CID2862078,,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1c(NC(=O)c2cccs2)sc2c1CCCC2,CID391237,,,,,,,,,,0.0,,,,,,,
CCC(C)(C)C1CCc2c(sc(NC(=O)c3cccs3)c2C(N)=O)C1,CID2933626,,,,,,,,,,0.0,,,,,,,
COC(=O)c1c(NC(=O)c2cccs2)sc2c1CCC(C)C2,CID2999597,,,,,,0.0,0.0,,,0.0,,,0.0,,,,
O=C(Nc1sc2c(c1C(=O)O)CCCC2)c1cccs1,CID703864,,,,,,,,,,,,,,,0.0,,
Cc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1C,CID646290,,,0.0,,0.0,,0.0,0.0,,,,,,,,,
CC(=O)Nc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1,CID669169,,,,,,,,0.0,,,,,,,0.0,0.0,
O=[N+]([O-])c1ccc(S(=O)(=O)NCCN2CCOCC2)cc1,CID743362,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1,CID567713,,,,,,,,,,,,0.0,,,,,
Cc1cc(Br)c(S(=O)(=O)NCCN2CCOCC2)cc1C,CID1143548,,,,,,,,,,,0.0,,,0.0,,,0.0
COc1cc(C)c(Cl)cc1S(=O)(=O)NCCN1CCOCC1,CID1256412,,,,,,,,,,0.0,,,,,,,
Cc1ccc(S(=O)(=O)NCCN2CCOCC2)c(C)c1C,CID832222,,,,,,,,,,,,,,,0.0,,
COc1cc(S(=O)(=O)NCCN2CCOCC2)c(OC)cc1Cl,CID1088786,,,,0.0,,,,,,,,,,,,,
CCOc1cc(S(=O)(=O)NCCN2CCOCC2)c(C)cc1C,CID1256749,,,,,0.0,,,,0.0,,,,,,0.0,,0.0
CC1CCC/C(=C\Nc2ccccc2C(=O)O)C1=O,CID5389487,,,0.0,0.0,,0.0,,,,,,,,,0.0,,
COc1ccc(N/C=C2/CCCCC2=O)cc1,CID2186324,,,,,,,,0.0,,0.0,0.0,,,,,,
COc1ccc(OC)c(N/C=C2/CCCCC2=O)c1,CID2189191,,,,0.0,,,0.0,0.0,,,,,,,,0.0,
CCOC(=O)c1ccccc1N/C=C1\CCCCC1=O,CID920396,,,,,,,,,,0.0,,,,0.0,,,
CCOC(=O)c1ccc(N/C=C2\CCCCC2=O)cc1,CID781824,,,,,,,,,,0.0,,,,,0.0,,
O=C1CCCC/C1=C\Nc1ccc(O)cc1,CID890962,,,,,,,,,,0.0,,,,,,,0.0
O=C1CCCC/C1=C\Nc1ccccc1C(=O)O,CID938219,,0.0,,0.0,,,,,,0.0,,,0.0,,,0.0,
CC1CCC/C(=C\Nc2ccc(O)cc2)C1=O,CID5389621,,,,,,,0.0,,,,0.0,0.0,,,,,
O=C1CCCC/C1=C/Nc1ccc(C(=O)O)cc1,CID2190560,,,,,,,,,0.0,0.0,,,,,,,
Nc1nncn1C(=O)c1cc(Br)ccc1Cl,CID974928,,,,,,,,,0.0,,,,,,,,0.0
COc1cc(OC)cc(C(=O)n2cnnc2N)c1,CID936917,,,,,,0.0,,,0.0,,,,,,,,
Cc1cc(C)cc(C(=O)n2cnnc2N)c1,CID912604,,,,,,,0.0,,,,,0.0,,,,,
Cc1ccc(C(=O)n2cnnc2N)cc1C,CID887464,0.0,0.0,,0.0,,,,0.0,,,,0.0,1.0,1.0,,,
Cc1ccc(C)c(C(=O)n2cnnc2N)c1,CID925484,,0.0,,0.0,,,,0.0,,,,,,,,,
COc1ccc(C(=O)n2cnnc2N)cc1,CID2938648,,,,,,,,,0.0,,,0.0,,0.0,,,
Nc1nncn1C(=O)c1ccccc1Cl,CID892383,0.0,,,0.0,,,0.0,,,0.0,,,,,0.0,0.0,
COc1cccc(C(=O)n2cnnc2N)c1OC,CID2226284,,0.0,0.0,0.0,,,0.0,0.0,0.0,,0.0,,0.0,0.0,1.0,,
Cc1ccc(C(=O)n2cnnc2N)cc1,CID892616,,,,,,,,,,,,0.0,,,,,
Cn1c(=O)c2c(nc(CN3CCC(C(N)=O)CC3)n2Cc2ccccc2F)n(C)c1=O,CID666457,,0.0,,,,,,,,,,,,,,,
Cn1c(=O)c2c(nc(CN3CCCCC3)n2Cc2c(F)cccc2Cl)n(C)c1=O,CID1089310,0.0,0.0,,,,,0.0,,,,,,,,,,
CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1,CID2987591,0.0,0.0,,0.0,,,,0.0,,,,,0.0,,0.0,0.0,0.0
Cn1c(=O)c2c(nc(CN3CCC(C(N)=O)CC3)n2Cc2c(F)cccc2Cl)n(C)c1=O,CID666296,,0.0,0.0,,,,0.0,,,,,,,,,,
Cn1c(=O)c2c(nc(CN3CCC(C(N)=O)CC3)n2Cc2c(Cl)cccc2Cl)n(C)c1=O,CID665975,0.0,,,,,,,,,,,,,,,,
CC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1c(F)cccc1Cl,CID3265960,0.0,,,,,,0.0,,,0.0,,,,,,,0.0
CC1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2c(F)cccc2Cl)CC1,CID667288,0.0,,0.0,,,,0.0,,,,,,,,,,
Cn1c(=O)c2c(nc(CN3CCC(C(N)=O)CC3)n2Cc2ccccc2Cl)n(C)c1=O,CID667270,0.0,,,,0.0,,0.0,,,,,,,,,,
CC1CC(C)CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2Cl)C1,CID4581051,0.0,,,,,,,,,,,,,,,,0.0
CCc1ccc2oc(=O)cc(CN3CCC(C)CC3)c2c1,CID666668,,,0.0,,,0.0,0.0,0.0,,,,,,,,,
Cc1cc2oc(=O)cc(CN3CCCCC3C)c2c(C)c1Cl,CID667400,0.0,0.0,,,,,,,,,,0.0,,,,,0.0
Cc1cc2oc(=O)cc(CN3CCC(C)CC3)c2c(C)c1Cl,CID666652,0.0,,0.0,0.0,,,,,,,,,0.0,0.0,,,0.0
CCOC(=O)C1CCCN(Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)C1,CID4261789,,,,,,,,,,,,,,0.0,,,
Cc1cc2oc(=O)cc(CN3CCCCC3)c2cc1C(C)C,CID2107585,,,,,,,0.0,,,,,,,,,,
Cc1ccc2oc(=O)cc(CN3CCC(C)CC3)c2c1,CID666909,,,,,,,0.0,,0.0,,,,,,,0.0,
Cc1ccc2c(CN3CCC(C)CC3)cc(=O)oc2c1,CID1959145,,,,,,,,,0.0,0.0,,,,,,,
COC(=O)C1CCN(Cc2cc(=O)oc3cc(OC)ccc23)CC1,CID2999771,,,,,,,,0.0,,0.0,,,,,,0.0,
Cc1cc2oc(=O)cc(CN3CCC(C)CC3)c2cc1Cl,CID1871571,0.0,,,0.0,,,,,,0.0,,,0.0,0.0,,0.0,0.0
COc1ccc(NCc2nnc(SCC(=O)Nc3cc(C)cc(C)c3)o2)cc1,CID654216,0.0,,0.0,0.0,0.0,,,0.0,,,0.0,,,,0.0,0.0,0.0
COc1ccc(OC)c(NC(=O)CSc2nnc(CNc3ccc(C)cc3C)o2)c1,CID651326,0.0,,,,0.0,,,0.0,,,,,,,,0.0,0.0
COc1ccc(OC)c(NC(=O)CSc2nnc(CNc3ccc(F)cc3)o2)c1,CID649154,,0.0,,,0.0,,,0.0,,0.0,,,0.0,0.0,,,
COc1ccc(NCc2nnc(SCC(=O)Nc3ccccc3OC)o2)cc1,CID1170150,,,,,,,,,0.0,,0.0,,,,,,
COc1ccc(NC(=O)CSc2nnc(CNc3ccc(F)cc3)o2)c(OC)c1,CID654354,0.0,,0.0,,0.0,,,,,,,0.0,,,,0.0,
CCOC(=O)CN(C(=O)CSc1nnc(CNc2ccc(F)cc2)o1)c1ccccc1,CID648243,0.0,,,,0.0,,,,,0.0,0.0,,0.0,,,,
COc1ccc(NCc2nnc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)o2)cc1,CID655870,,,,,0.0,,,,,,,,,,,,0.0
COc1ccc(NCc2nnc(SCC(=O)Nc3cccc(C)c3)o2)cc1,CID655779,0.0,,,0.0,0.0,0.0,,0.0,,,0.0,,0.0,0.0,,0.0,0.0
CCOC(=O)CN(C(=O)CSc1nnc(CNc2ccc(C)cc2C)o1)c1ccccc1,CID645522,,,,,,,,0.0,,,0.0,,,,,0.0,0.0
CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(O)COc1ccccc1C,CID647800,,,,,,,,,,,,,,,,0.0,
COc1ccccc1OCC(O)Cn1c(Br)nc2c1c(=O)[nH]c(=O)n2C,CID657737,0.0,,,,,,,,0.0,,,0.0,,,,0.0,0.0
Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2CC(O)COc1ccccc1,CID3097491,,,,,,,,,,,,0.0,,,,,
COCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(O)COc1ccccc1,CID662716,,,,,,,,,,,,0.0,,,0.0,,
COCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(O)COc1ccccc1C,CID3830600,,,,0.0,,,,,,,,,,,,,
CN(C)CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(O)COc1ccc(Cl)cc1,CID659326,,,,,,,0.0,,,,,,,0.0,,,
Cc1ccccc1OCC(O)Cn1c(SC(C)C)nc2c1c(=O)[nH]c(=O)n2C,CID646641,,,,,,,,,0.0,0.0,,,,,,0.0,
COc1ccc(OCC(O)Cn2c(Br)nc3c2c(=O)[nH]c(=O)n3C)cc1,CID655898,0.0,,,,,,0.0,,0.0,,,,,,,,0.0
CCC(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(O)COc1ccccc1C,CID3137574,,,,,,,,,0.0,,0.0,,,,,,
CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)nc1,CID2529980,,,,,,,,,,,,,,0.0,,,
COc1ccc(N(CC(=O)O)S(=O)(=O)c2cccnc2)cc1,CID3235785,,,,,,,0.0,0.0,,,,,,,,,
O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1cccnc1,CID3239046,,,,,0.0,,,,,,,,,,,,0.0
Cc1ccc(N(C(C)C(=O)O)S(=O)(=O)c2cccnc2)cc1,CID3580042,,,,,,,,0.0,,,,,,,,,
CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)nc1,CID2433221,,,,,,,,,,,,,,,0.0,,
CC(C)c1ccc(NS(=O)(=O)c2ccc(Cl)nc2)cc1,CID822453,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(N(CC(=O)O)S(=O)(=O)c2cccnc2)cc1,CID4324387,,,,,,,,0.0,,,,,,,,0.0,
CC(C)c1ccc(N(CC(=O)O)S(=O)(=O)c2cccnc2)cc1,CID4324385,,,,,,,,0.0,,,,,,,,,
Cc1ccc(C)c(NS(=O)(=O)c2cc(Br)cnc2N)c1,CID3241190,0.0,,,,,,,,,,,,,,,0.0,0.0
Cc1ccc(Nc2nc3c([nH]2)c(=O)[nH]c(=O)n3C)cc1,CID677343,,,,,,,,,,,,,,0.0,,,
COc1ccc(Nc2nc3c([nH]2)c(=O)[nH]c(=O)n3C)cc1,CID677347,,,,,,,,,,,,,,,0.0,,
COc1ccc(Nc2nc3c(c(=O)n(C)c(=O)n3C)n2CCO)cc1,CID659471,,0.0,,,,,,,,,,,,,,,
C/C(Cl)=C\Cn1c(Nc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C,CID5769119,,,0.0,,,0.0,,,,,,,,,,,
C/C(Cl)=C\Cn1c(Nc2ccc(C)cc2)nc2c1c(=O)n(C)c(=O)n2C,CID1084957,0.0,0.0,0.0,,,,0.0,,,,,,,,0.0,,
Cc1ccc(Nc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1,CID942103,,,,,,,,,,,,0.0,,,0.0,,
Cc1cccc(Nc2nc3c(c(=O)n(C)c(=O)n3C)n2CC(O)CO)c1,CID647996,,,,,,,,,,,,,0.0,,,,
C/C(Cl)=C\Cn1c(Nc2cccc(C)c2)nc2c1c(=O)n(C)c(=O)n2C,CID1084959,0.0,0.0,0.0,0.0,,,,,,,0.0,0.0,,,,,
Cn1c(=O)c2[nH]c(Nc3ccccc3)nc2n(C)c1=O,CID378526,,0.0,,0.0,,,0.0,0.0,0.0,,,0.0,,,,,
CC(C)CC(=O)Nc1ccc2oc(-c3cccnc3)nc2c1,CID807289,0.0,0.0,0.0,,0.0,0.0,,,0.0,,,0.0,,,,0.0,
O=C(O)Cc1ccc2oc(-c3cccnc3)nc2c1,CID1478229,,,,,,,,,,,,,,0.0,0.0,,
Clc1ccc2oc(-c3cccnc3)nc2c1,CID1084686,,,,,,,,,,0.0,,,,,,,
c1cncc(-c2nc3ccccc3o2)c1,CID16803,,0.0,,,,0.0,,,0.0,,,,0.0,,0.0,0.0,
CCCCC(=O)Nc1ccc2oc(-c3cccnc3)nc2c1,CID665180,,,0.0,,0.0,0.0,,0.0,0.0,,0.0,0.0,0.0,0.0,,,
Cc1ccc2nc(-c3cccnc3)oc2c1,CID829823,,,,,,,0.0,0.0,0.0,,,,,,,0.0,
CCCC(=O)Nc1ccc2oc(-c3cccnc3)nc2c1,CID655274,0.0,0.0,0.0,0.0,,,0.0,,0.0,,,,,0.0,,,
CCCCCC(=O)Nc1ccc2oc(-c3cncc(Br)c3)nc2c1,CID1616388,,,,,,,,,0.0,,0.0,0.0,,,,0.0,
CCCCCC(=O)Nc1ccc2oc(-c3cccnc3)nc2c1,CID659671,0.0,0.0,,,0.0,,0.0,,0.0,,0.0,0.0,,0.0,,,0.0
Cc1c(C(=O)OC(C)C)[nH]c2c1C(=O)CCC2,CID866806,0.0,,,0.0,,,,,,,,,0.0,,,0.0,0.0
COCCOC(=O)c1[nH]c2c(c1C)C(=O)C(C(=O)OC)C(C)C2,CID3162312,,,,,,0.0,,,,,,,,,,0.0,
COC(=O)C1C(=O)c2c([nH]c(C(=O)OCCSC)c2C)CC1C,CID3162313,,,,,,,,,,,0.0,,,,,,
Cc1c(C(=O)OCCOC(C)C)[nH]c2c1C(=O)CC(C)(C)C2,CID3162310,,,0.0,,,,,,,,,,0.0,,,,
Cc1c(C(=O)OC(C)C)[nH]c2c1C(=O)CC(C)(C)C2,CID2217829,,0.0,0.0,,,,,0.0,,,,,,,,,
CCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C(C(=O)OC)C(C)C2,CID3245301,,,,,,0.0,,,,,,,,,,,
COC(=O)c1[nH]c2c(c1C)C(=O)CCC2,CID3236459,,,,,,0.0,,0.0,,,,,,,,0.0,
COC(=O)C1C(=O)c2c([nH]c(C(=O)OCCOC(C)C)c2C)CC1C,CID3236881,,,,,,,,,,,0.0,,,,,0.0,
CCCc1c(C(=O)OCC)[nH]c2c1C(=O)CCC2,CID3162321,0.0,0.0,,,,,,0.0,,,0.0,,,,,,
CCOC(=O)C1=C(C)N(CC)C(=S)NC1c1ccccc1OC(F)F,CID3494806,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C1=C(C)C(c2ccc(OC)cc2)NC(=S)N1,CID5109695,,,,,,,,,,,,,,0.0,,,
CCOc1cc(C2NC(=S)NC(C)=C2C(=O)OC(C)C)ccc1O,CID2892039,,,,,,0.0,,,,,,,,,,,
C=CCOC(=O)C1=C(C)NC(=S)NC1c1ccc(OC)cc1,CID2892131,,,,,,0.0,,,,,,,,,,,
CCOC(=O)C1=C(C)N(C)C(=S)NC1c1ccccc1Cl,CID5112708,,,,,,0.0,,,,,,,,,,,
CCOC(=O)C1=C(C)NC(=S)N(C(C)=O)C1c1ccc(Cl)cc1,CID3096982,,,,,,,,,,0.0,,,,,,,
CCOC(=O)C1=C(C)NC(=S)N(C(C)=O)C1c1ccccc1,CID2768148,,,,,,,,,0.0,,0.0,,,,,,
CC1=C(C(=O)OC(C)C)C(c2ccccc2)NC(=S)N1C,CID3091436,,,,,,,,,,,,,,,0.0,,
COc1cc(C2NC(=S)NC(C)=C2C(=O)OC(C)C)ccc1OC(C)C,CID4463724,,,,,,,,,0.0,,,,,,,,
Cc1cc(Cl)c(S(=O)(=O)NC(C(=O)O)C(C)C)cc1OCC(=O)NC1CCCCC1,CID2953892,,,,,,,,,0.0,,,,,,,,
Cc1cc(OCC(=O)N(C)C2CCCCC2)cc(C)c1Cl,CID692214,,,,,,,,,,,,,,0.0,,,
Cc1cc(OCC(=O)N(C)C2CCCCC2)ccc1Cl,CID692216,,,,,,,,,,,,,,0.0,,,
O=C(COc1ccc(Cl)cc1[N+](=O)[O-])NC1CCCCC1,CID973131,,,,,,,,,,,,,,0.0,,,
CCN(C(=O)COc1ccccc1)C1CCCCC1,CID670248,,,,,,,,,,,,,,,0.0,,
COc1cccc(OCC(=O)NC2CCCCC2)c1,CID3241074,,,0.0,0.0,,,,0.0,0.0,,0.0,,,,,0.0,0.0
CCOc1ccccc1OCC(=O)NC1CCCCC1,CID731871,,,,,,,,,,,0.0,,,,,,
CC1CCC(NC(=O)COc2ccccc2C(N)=O)CC1,CID2446311,,,,,,,,,,,,0.0,,,,,
COC(=O)c1ccccc1OCC(=O)NC1CCCCC1,CID891719,,,,,,,,0.0,0.0,0.0,,,0.0,,,0.0,0.0
COc1ccc(-c2noc(-c3ccccc3C(=O)Nc3cccc(OC)c3)n2)cc1,CID665676,0.0,,0.0,,,,,0.0,,,,0.0,,0.0,,,0.0
COc1cccc(NC(=O)c2ccccc2-c2nc(-c3cccc(C)c3)no2)c1,CID665754,0.0,,0.0,,,0.0,,0.0,,,,0.0,,,,,0.0
COc1ccccc1-c1noc(-c2ccccc2C(=O)Nc2ccccc2)n1,CID665498,0.0,,0.0,0.0,,,,,,,,0.0,0.0,0.0,,,0.0
COc1cccc(NC(=O)c2ccccc2-c2nc(-c3ccccc3)no2)c1,CID665357,0.0,,0.0,0.0,,,0.0,0.0,,0.0,0.0,,,,,,
CCOc1ccccc1NC(=O)c1ccccc1-c1nc(-c2ccccc2OC)no1,CID665644,,,,0.0,,,,,,0.0,0.0,,0.0,,,,0.0
CCOc1ccccc1NC(=O)c1ccccc1-c1nc(-c2ccccc2)no1,CID665731,0.0,,,,,,,0.0,,0.0,,,,0.0,,,
COc1cccc(NC(=O)c2ccccc2-c2nc(-c3ccc(F)cc3)no2)c1,CID2225787,0.0,0.0,,,,,,0.0,,,0.0,,,,,,
COc1cccc(NC(=O)c2ccccc2-c2nc(-c3ccc(Cl)cc3)no2)c1,CID665301,0.0,,,,0.0,0.0,,,,,,,,,,,
COc1ccccc1NC(=O)c1ccccc1-c1nc(-c2ccccc2OC)no1,CID2226479,,,0.0,,,,,0.0,,,,0.0,,0.0,,,0.0
CSc1nnc(CNC(=O)c2ccccc2)n1-c1cccc(C)c1,CID3497557,0.0,0.0,,,0.0,,,,,,,,,,,0.0,
CCOC(=O)CSc1nnc(CNC(=O)c2ccc(OC)cc2OC)n1-c1ccc(OC)cc1,CID3245994,,,,,0.0,,,,,,,,0.0,,,,
CCSc1nnc(CNC(=O)c2ccccc2F)n1-c1ccccc1OC,CID3427232,,,,,,,,,,,,,,,0.0,,
COC(=O)CSc1nnc(CNC(=O)c2cccc(C)c2)n1-c1ccccc1OC,CID2159436,0.0,0.0,,,0.0,,,,,,0.0,,0.0,0.0,,0.0,0.0
CCOC(=O)CSc1nnc(CNC(=O)c2cccc(C)c2)n1-c1ccccc1OC,CID2159437,0.0,,,0.0,,,,0.0,,,0.0,,,,,,
CCOC(=O)CSc1nnc(CNC(=O)c2ccccc2OC)n1-c1ccc(OC)cc1,CID2159408,,,0.0,,0.0,,,,,,,,0.0,,0.0,0.0,
COC(=O)CSc1nnc(CNC(=O)c2ccccc2OC)n1-c1ccc(OC)cc1,CID2159407,,,,,0.0,,,0.0,,,,,,,,0.0,0.0
CSc1nnc(CNC(=O)c2ccccc2)n1-c1ccc(F)cc1,CID3315310,0.0,0.0,,,0.0,,,0.0,0.0,,,,,,,0.0,
CCOC(=O)CSc1nnc(CNC(=O)c2ccc(OC)cc2)n1-c1ccc(OC)cc1,CID3240369,,,0.0,,0.0,0.0,,0.0,,,0.0,,,,,0.0,0.0
Cc1nn(C)cc1CNC(=O)c1ccccc1Br,CID1225310,0.0,,,,,,0.0,,0.0,,,0.0,,,,,0.0
CCn1cc(CNC(=O)c2cccc([N+](=O)[O-])c2)cn1,CID842454,,,,,,,,,,,,,,0.0,0.0,,
CCn1cc(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cn1,CID1765538,,,,,,,,,,,,,,,0.0,,
CCn1cc(CNC(=O)c2cc(Cl)ccc2OC)c(C)n1,CID887885,,0.0,0.0,,,0.0,,,,,0.0,,0.0,,,0.0,
Cc1nn(C)cc1CNC(=O)c1cccc(Cl)c1,CID1246886,,,,,,,,,,0.0,,,,0.0,,,
CCn1ncc(CNC(=O)c2cccc([N+](=O)[O-])c2)c1C,CID896021,,,,,,,,,,,,,,,0.0,,
COc1ccc(Cl)cc1C(=O)NCc1cnn(C)c1C,CID842012,,,,,,,,,,0.0,,,,,,,
COc1ccc(Cl)cc1C(=O)NCc1cn(C)nc1C,CID841893,,,,,,,,,,0.0,,,,,0.0,,
Cc1nn(C)cc1CNC(=O)c1cccc(Br)c1,CID903830,,,,,,,,,0.0,,0.0,0.0,,,,,
CCN1/C(=C/C(C)=O)Sc2ccc(OC)cc21,CID1893668,,,,,0.0,,0.0,,,,,,,,,,
CCN1/C(=C\C(C)=O)Sc2ccc(OC)cc21,CID1893667,,,,,,,,,,0.0,,0.0,,,,,
CCC(=O)/C=C1\Sc2ccc(OC)cc2N1CC,CID759440,,,0.0,,0.0,0.0,,,,0.0,,,,,,,0.0
CC(=S)/C=C1\Sc2ccccc2N1C,CID721517,,,,,,0.0,,,,,,,,,,,
CCC(=O)/C=C1/Sc2ccccc2N1CC,CID744337,,,,,,,,,0.0,,,,,,,,
CCC(=O)/C=C1\Sc2ccccc2N1CC,CID744338,,,,,,0.0,,,,,,,,0.0,,,
COCC(=O)/C=C1\Sc2ccccc2N1C,CID1643368,,,0.0,,0.0,,,,,,,,0.0,,,,
CCC(=O)/C=C1\Sc2ccc(OC)cc2N1CCO,CID744620,,,,,,,0.0,0.0,,,,,,,,,
CCC(=O)/C=C1/Sc2ccc(OC)cc2N1CC,CID759439,,,,,,,,,,,,,,,0.0,,
CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)cc2)C1c1ccco1,CID5389339,,,,0.0,,,0.0,0.0,,,,,,,,,
CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(CC)CC)C2c2ccco2)cc1,CID5389337,,,,0.0,,,,0.0,,,,,,,,,
COCCN1C(=O)C(=O)/C(=C(/O)c2cccc(OC)c2)C1c1ccc(C)o1,CID5768894,,,0.0,,,,,0.0,,,,,,,,,
COCCN1C(=O)C(=O)/C(=C(/O)c2cccc(OC)c2)C1c1ccco1,CID5768893,,,0.0,,,,,0.0,,,,,0.0,0.0,,,
CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)c(Cl)c2)C1c1ccco1,CID5389429,,,0.0,,,,,,,,,,,,,,
CCOc1cccc(/C(O)=C2/C(=O)C(=O)N(CCOC)C2c2ccco2)c1,CID6398931,,,,,,,,,,,,,,,,0.0,
COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN(C)C)C2c2ccc(C)o2)cc1Cl,CID5389354,,,0.0,0.0,,,,,,,,,,,,,
CC(C)Oc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)C2c2ccco2)cc1,CID5389208,,,,,,,,0.0,,,,,,,,,0.0
CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)cc2)C1c1ccco1,CID5389344,,,,,,0.0,0.0,0.0,,,,,,,,,
COc1ccc2c(C)cc(N3CCOCC3)nc2c1,CID700937,,,,,,0.0,,,,0.0,,,,0.0,,,
CCCCNC(=O)CCC(=O)Nc1ccc2nc(N3CCOCC3)cc(C)c2c1,CID3240839,,,,0.0,,,,,,0.0,,,0.0,,,,0.0
COCCCNC(=O)CCC(=O)Nc1ccc2nc(N3CCOCC3)cc(C)c2c1,CID3238797,,,0.0,0.0,,,,,,,,,,,,,
COc1ccc2nc(N3CCOCC3)cc(C)c2c1,CID771622,,,,,,,,,0.0,,,,,,,,
N#CC(C#N)=Cc1cc2ccccc2nc1N1CCOCC1,CID921753,,,,,,,,,,,,,,,0.0,,
CCOC(=O)/C(C#N)=C/c1cc2ccccc2nc1N1CCOCC1,CID921219,,,,,,,,,,,,,,,0.0,,
CCC(C)NC(=O)CCC(=O)Nc1ccc2nc(N3CCOCC3)cc(C)c2c1,CID3241497,,,,0.0,,0.0,,0.0,,,,,,,,,0.0
Cc1cc(N2CCOCC2)nc2ccccc12,CID812365,,,,,,,,,0.0,0.0,,,,,0.0,,
CCCCN(C)C(=O)CCC(=O)Nc1ccc2nc(N3CCOCC3)cc(C)c2c1,CID3236602,0.0,,,,,0.0,,,,,,,,,,,
CCCN(CCC)Cc1c(C(=O)OCC)nnn1-c1nonc1N,CID715656,,0.0,0.0,,,,,,,,,,0.0,,,,
COC(=O)c1nnn(-c2nonc2N)c1CSCCO,CID2980593,,,,,,,,,,,,,,,,0.0,
CCOC(=O)c1nnn(-c2nonc2NC(C)=O)c1C,CID697841,,,0.0,0.0,,,,,,,,,,,,,
CCN(CC)Cc1c(C(=O)OC(C)C)nnn1-c1nonc1N,CID685439,,0.0,,,,,,,,,,,,,,,
CCOC(=O)c1nnn(-c2nonc2N)c1CNC(C)C,CID647265,,0.0,,,,,,,,,,,,,,,
CCN(CC)Cc1c(C(=O)OC)nnn1-c1nonc1N,CID685069,,0.0,0.0,,,,,,,,,,,,,,
Cc1c(C(=O)OC(C)C)nnn1-c1nonc1N,CID692182,,,,,,,,,0.0,,,0.0,,,,,
CC(C)(O)c1cn(-c2nonc2N)nn1,CID1266388,,0.0,,0.0,,,,,,,,,,,,,
Cc1c(C(C)O)nnn1-c1nonc1N,CID3245412,,0.0,,,,,,,,,,0.0,,,,,
COc1cc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)cc(OC)c1,CID2172517,,,,,,,,,0.0,,,,,,,,
CCOc1ccccc1NC(=O)NS(=O)(=O)c1ccc(C)cc1,CID753422,,,,,,,,,0.0,,,0.0,,0.0,0.0,,
Cc1ccc(S(=O)(=O)NC(=O)Nc2cc(C)ccc2F)cc1,CID753426,,0.0,0.0,,,,0.0,,,,,0.0,,0.0,,,
CCOC(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1,CID1071005,,,0.0,,0.0,,,,,0.0,,0.0,,,,0.0,
COC(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1,CID740612,,0.0,,,0.0,0.0,,,,0.0,,0.0,0.0,,,0.0,
Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(F)cc2)cc1,CID756661,,,,,,,,,,0.0,0.0,0.0,,,,,
Cc1ccc(S(=O)(=O)NC(=O)Nc2ccccc2F)cc1,CID821030,,,,,,,,,,,,0.0,,0.0,,,
COc1ccccc1NC(=O)NS(=O)(=O)c1ccc(C)cc1,CID752305,,,,,,,,,0.0,0.0,,0.0,,0.0,,,
COc1ccc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)c(OC)c1,CID592766,,,,,,,,,0.0,,,0.0,,0.0,,0.0,
O=C(CN1C(=O)CSC1=O)Nc1ccc(C(=O)O)cc1,CID652323,,,,0.0,0.0,,,0.0,,,,0.0,,,,0.0,
O=C(CN1C(=O)CSC1=O)Nc1ccccc1F,CID645813,,,,,,,,,,,,0.0,,,,,
COC(=O)c1ccc(NC(=O)CN2C(=O)CSC2=O)cc1,CID648832,,,0.0,0.0,,,,0.0,,,,,,,,0.0,
COC(=O)c1ccccc1NC(=O)CN1C(=O)CSC1=O,CID650872,,,,0.0,,,,0.0,,,,,,,,,
O=C(CN1C(=O)CSC1=O)Nc1ccc(F)c(F)c1F,CID648553,,,,,0.0,,,0.0,0.0,,,,,,,,
CCOC(=O)c1ccc(NC(=O)CN2C(=O)CSC2=O)cc1,CID1311845,,,0.0,,,,,,0.0,,0.0,0.0,0.0,,,0.0,0.0
COc1ccc(Cl)cc1NC(=O)CN1C(=O)CSC1=O,CID651189,0.0,,,0.0,,,,,,0.0,,,0.0,,,,0.0
COC(=O)c1cc(NC(=O)CN2C(=O)CSC2=O)ccc1Cl,CID653156,0.0,,0.0,0.0,,,,,,,,,,,,,
Cc1ccc(NC(=O)CN2C(=O)CSC2=O)cc1,CID1330701,,,,,,,,,,0.0,,,,,,,
Cc1cc(C)c(C#N)c(N2CCCC(C(N)=O)C2)n1,CID655340,,0.0,,0.0,,,,0.0,,,,,0.0,,,,
O=[N+]([O-])c1ccc(N2CCC(O)CC2)nc1,CID2859768,,,,,,,,,,,,,,,0.0,,
O=[N+]([O-])c1cccnc1N1CCCCC1,CID605297,,,,,,0.0,,,,,,,,,,,
CC(=O)c1cc(C#N)c(N2CCCCC2)nc1C,CID1471732,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)c(C#N)c(N2CCC(C(N)=O)CC2)n1,CID1448096,,,,,,,,,,,,,,0.0,,,
CC1CCN(c2ccc([N+](=O)[O-])cn2)CC1,CID2849115,,,,,,,,,,,,,,,0.0,,
Cc1cc(N(C)C)c(C#N)c(N2CCCCC2)n1,CID660777,,,,,,,0.0,0.0,,,0.0,,,,,,
Cc1nc(N2CCCCC2)c(C#N)c(C)c1[N+](=O)[O-],CID2726043,,,,,,,,,,,,,,,0.0,,
CC1CCN(c2ncccc2C(=O)O)CC1,CID646385,,,,,,0.0,,,,,,,,,,,
CCC(C)NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(OC)cc1,CID649656,0.0,,,,0.0,,0.0,0.0,0.0,,0.0,,,,,,
CC(C)NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1,CID2623068,,,,,,,,,,,,,,0.0,,,
Cc1ccc(-n2c(SCC(=O)OC(C)C)nnc2-c2ccncc2)cc1,CID1248962,0.0,0.0,0.0,,0.0,,0.0,0.0,,,0.0,,0.0,,,0.0,0.0
COc1ccc(-n2c(SCCC(=O)O)nnc2-c2ccncc2)cc1,CID1258242,,,,0.0,,,,0.0,,,0.0,,,,,0.0,0.0
NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1,CID860734,0.0,0.0,,,0.0,,,,,,0.0,0.0,,,,,0.0
C=CCSc1nnc(-c2ccncc2)n1-c1ccc(OCC)cc1,CID2193992,0.0,0.0,,,0.0,,,,,,0.0,,,,,0.0,
CCOC(=O)CNC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1,CID1938300,,,,,,,,,0.0,,0.0,0.0,,,,,
COc1cccc(-n2c(SCC(N)=O)nnc2-c2ccncc2)c1,CID653348,,,0.0,0.0,,,,,,,,,0.0,,0.0,,
O=C(O)CCSc1nnc(-c2ccncc2)n1-c1ccccc1,CID1258837,,0.0,,,,,0.0,0.0,,,,,,,,0.0,
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1cccs1,CID2642484,,,,,,,,,,,,,,,0.0,,
Cc1ccccc1NC(=O)/C=C/c1cccs1,CID2146472,,,,,,,,,,,,,,,0.0,,
CCCCOC(=O)c1ccc(NC(=O)/C=C/c2cccs2)cc1,CID2169875,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1NC(=O)/C=C/c1ccc([N+](=O)[O-])s1,CID6031825,,,,,,,,,,,,,,0.0,,,
CCCOC(=O)c1ccc(NC(=O)/C=C/c2cccs2)cc1,CID2166331,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)cc(NC(=O)/C=C/c2ccc([N+](=O)[O-])s2)c1,CID6379206,,,,,,,,,,,,,,,0.0,,
COc1ccc(N(CCC#N)C(=O)/C(C#N)=C/c2cccs2)cc1,CID1562631,,,,,,,,,,,,,,,0.0,,
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(C)s2)c(C)c1,CID2094945,,,,,,0.0,,,,,,,,,,,
Cc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)s1,CID2346696,,,,,,,,,,,,0.0,,,,,
CCOC(=O)C1CCN(c2ncnc3c2[nH]c2cccc(OC)c23)CC1,CID664591,0.0,,,,0.0,0.0,,,,,,,0.0,0.0,0.0,,
COc1cccc2[nH]c3c(N4CCC(C(N)=O)CC4)ncnc3c12,CID663835,,0.0,0.0,,,0.0,,,,,,,,,0.0,,
COc1cc2[nH]c3c(N4CCC(C(N)=O)CC4)ncnc3c2cc1OC,CID664128,,,0.0,0.0,,0.0,0.0,,,0.0,,,,,,,
CCOC(=O)C1CCCN(c2ncnc3c2[nH]c2cccc(OC)c23)C1,CID663479,,,,0.0,0.0,0.0,,,0.0,,,,,,0.0,,
COc1cccc2[nH]c3c(N4CCC(C)CC4)ncnc3c12,CID663797,,0.0,,,,0.0,,,,,,0.0,,,,,0.0
COc1cccc2[nH]c3c(N4CC(C)CC(C)C4)ncnc3c12,CID3248327,,,,,,0.0,,,,,,,,,,,
c1ccc2c(c1)[nH]c1c(N3CCCCC3)ncnc12,CID646579,,,,,,,,0.0,,,,0.0,,,,,
COc1cccc2[nH]c3c(N4CCCCC4)ncnc3c12,CID663380,,,,,,0.0,,0.0,,,,0.0,0.0,,,,
COc1cccc2[nH]c3c(N4CCCC(C)C4)ncnc3c12,CID663629,,,,,,0.0,,,,0.0,,0.0,,,0.0,0.0,
CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)N2CCCCC2)cc1,CID646979,,,,,,,0.0,0.0,,,,,,,,0.0,
CCOC(=O)C1CCCN(C(=O)CCc2ccccc2)C1,CID2905874,,,0.0,,,,0.0,0.0,0.0,,0.0,,,,0.0,,
CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)N1CCC(C(=O)O)CC1,CID664643,,,0.0,,,,,0.0,,,,,,,,,
CCOC(=O)C1CCCN(C(=O)CC(C)c2ccccc2)C1,CID2914344,,,,,,,,,,0.0,,,,,,,
CCCNS(=O)(=O)c1ccc(CCC(=O)N2CCCCC2)cc1,CID651874,,,,,,,0.0,,,,,,0.0,,,,
CCCNS(=O)(=O)c1ccc(CCC(=O)N2CCC(C)CC2)cc1,CID653436,,,0.0,,,,0.0,0.0,,,,,,,,,
CCOC(=O)C1CCN(C(=O)CCc2ccccc2)CC1,CID669998,,,,,,,,,0.0,,0.0,,,0.0,,,
CCOC(=O)C1CCN(C(=O)CC(C)c2ccccc2)CC1,CID2914925,,,0.0,,,,,0.0,,,,,,,,0.0,
NC(=O)C1CCN(C(=O)CCc2ccccc2)CC1,CID846350,,,,,,0.0,,,,,,,,,,,
Cc1ccc(/C(N)=N/OC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1,CID5346112,,,,,,0.0,,,,,,,,,,,
N/C(=N\OC(=O)c1ccccc1Cl)c1ccccc1,CID5332683,,,,,,0.0,,,,,,,,,,,
Cc1cccc(C(=O)O/N=C/c2ccc(Br)cc2)c1,CID786796,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)O/N=C(\C)c2ccccc2)cc1,CID841131,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(C(=O)O/N=C(\N)c2ccc([N+](=O)[O-])cc2)cc1OCC,CID9587654,,,,,,,,,,,,,,,0.0,,
COc1ccccc1C(=O)O/N=C(\N)c1ccc(Cl)cc1,CID9595081,,,,,,,,,,,,,,0.0,,,
COc1ccc(/C(N)=N/OC(=O)c2ccccc2F)cc1,CID5344782,,,,,,0.0,,,,,,,,,,,
COc1cccc(C(=O)O/N=C(\N)c2ccc([N+](=O)[O-])cc2)c1,CID9587156,,,,,,0.0,,,,,,,,,,,
Cc1ccccc1C(=O)O/N=C(\N)c1cccc([N+](=O)[O-])c1,CID2841927,,,,,,,,,,,,,,,0.0,,
CCOC(=O)C1CCN(S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)CC1,CID1828313,,,,0.0,,,,,,0.0,,,,0.0,,0.0,
CCCN(CCC)CCNC(=O)C1CCCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)C1,CID3235805,,,0.0,0.0,0.0,,,,0.0,,0.0,,,,,,
CC(C)COC(=O)n1c(=O)oc2cc(S(=O)(=O)N3CCCCC3)ccc21,CID660433,,,,0.0,,,,,,,,0.0,,,,,0.0
CCCCNC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3CC(C)CC(C)C3)ccc21,CID9551549,,,,,,,,,,0.0,,,,,,,
CCOC(=O)n1c(=O)oc2cc(S(=O)(=O)N3CCCCC3)ccc21,CID558625,,,,0.0,0.0,,,0.0,,0.0,,0.0,0.0,0.0,0.0,0.0,
CC1CCCCN1S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)O,CID3242696,,,,,0.0,,,,,,0.0,,,,,0.0,
CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC(C(=O)OCC)C3)ccc21,CID5308061,,,,,,,,0.0,,,,,0.0,,,,
CCCCOC(=O)n1c(=O)oc2cc(S(=O)(=O)N3CCCCC3)ccc21,CID660557,,,,,,,,,,,,,,,0.0,0.0,
COC(=O)n1c(=O)oc2cc(S(=O)(=O)N3CCCCC3)ccc21,CID558609,,0.0,0.0,,0.0,,,0.0,0.0,,,,,,,,
COc1ccc2nc(Nc3nc(=O)c(CCC(C)C)c(C)[nH]3)nc(C)c2c1,CID1398027,,0.0,0.0,,,,,,,,,,,,,,
CCCCCc1c(C)[nH]c(Nc2nc(C)c3cc(OC)ccc3n2)nc1=O,CID663970,,,0.0,,,,,0.0,,0.0,,,,,,,
COc1ccc2c(C)nc(Nc3nc(=O)cc(C)[nH]3)nc2c1,CID698469,,0.0,,0.0,,,,,,0.0,,0.0,,,,,
COCc1cc(=O)nc(Nc2nc(C)c3cc(OC)ccc3n2)[nH]1,CID801342,,,,,,,,,,,,0.0,,,0.0,,
COCc1cc(=O)nc(Nc2nc(C)c3ccc(C)cc3n2)[nH]1,CID653468,,,0.0,0.0,,,,,,,,,0.0,,,,
CCc1ccc2nc(Nc3nc(=O)cc(COC)[nH]3)nc(C)c2c1,CID831693,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)c2nc(Nc3nc(=O)cc(C)[nH]3)nc(C)c2c1,CID712056,,,0.0,,,,0.0,0.0,,,,,0.0,,,,
COc1ccc2c(C)nc(Nc3nc(=O)c(C)c(C)[nH]3)nc2c1,CID816255,,,,,,0.0,,,,,0.0,0.0,,,,,
CCc1c(C)[nH]c(Nc2nc(C)c3cc(OC)ccc3n2)nc1=O,CID648472,,0.0,0.0,0.0,,,0.0,0.0,,,,,,,,,
CCc1c(C)nc2cc(C)[nH]n2c1=O,CID753099,,,,,,0.0,,,,,0.0,0.0,,,,,
COCc1cc(=O)n2[nH]c(C)cc2n1,CID644908,,,,0.0,,,,,0.0,,,,,,,,
COC(=O)c1c[nH]n2c(=O)cc(C)nc12,CID3235675,,,,,,,,,0.0,,,,0.0,,,,
CCOC(=O)Cc1cc(=O)n2[nH]c(C)cc2n1,CID738257,,,,,,,,0.0,0.0,,,,0.0,,,,
CCc1c(C)nc2c(C#N)c(C)[nH]n2c1=O,CID651205,,0.0,,,,,,0.0,,,,0.0,,0.0,,,
CCOC(=O)Cc1cc(=O)n2[nH]c(C)c(C#N)c2n1,CID1078573,,,,,,,,,0.0,,,0.0,,,,,
COC(=O)Cc1cc(=O)n2[nH]c(C)cc2n1,CID1472812,,,,,,,,,0.0,,,,,,,,
CCCc1cc(=O)n2[nH]c(C)cc2n1,CID3241549,,,,,,,,0.0,,0.0,,0.0,,0.0,,,
CCc1c(C)nc2c(C#N)c[nH]n2c1=O,CID3239476,,0.0,,0.0,,,,,,,,0.0,,,,,
CCOC(=O)CC1=NN(c2ccccc2)C(=O)C1,CID895794,,,,,,,,,,,,,,,0.0,,
O=C(CCCCl)NC1=NN(c2ccccc2)C(=O)C1,CID1594285,,,,,,,,,,,,,,,0.0,,
COC(=O)CC1=NN(c2ccccc2)C(=O)C1,CID714476,,,,,,,,,,,,,,,0.0,,
CC1=NN(c2cccc([N+](=O)[O-])c2)C(=O)C1,CID67059,,,,,,,,,,,,,,,0.0,,
NC1=NN(c2cccc(C(=O)O)c2)C(=O)C1,CID1115271,,,,,,,,,,,,,,,0.0,,
CC1=NN(c2ccccc2)C(=O)C1,CID4021,,,,,,,,0.0,,,,,,,,,
CC1=NN(c2ccccc2)C(=O)C1(C)C,CID136765,,,,,,0.0,,,0.0,,,,,,,,
CC(=O)NC1=NN(c2ccccc2)C(=O)C1,CID788029,,,,,,,,,,,,0.0,,,,,
CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)C1,CID790155,,,,,,,,,,,,,,0.0,,,
COc1ccc(N(C)C(=O)CCS(=O)(=O)c2cccc3nonc23)c(OC)c1,CID3243198,,,,,,,,0.0,,,,,,,,,0.0
Cc1ccc(NC(=O)CCS(=O)(=O)c2cccc3nonc23)cc1,CID4649835,,,,,,,,,,,,,,0.0,,,
COc1ccc(C)cc1NC(=O)CCS(=O)(=O)c1cccc2nonc12,CID9551180,,,,,,0.0,,,,,,,,,,,
CCOc1ccccc1NC(=O)CCS(=O)(=O)c1cccc2nonc12,CID3237592,,,,,,,,,0.0,,,,0.0,,,,
COc1ccc(NC(=O)CCS(=O)(=O)c2cccc3nonc23)c(OC)c1,CID3240423,,0.0,0.0,,,,,,0.0,,,,,,,0.0,
CC(=O)c1cccc(NC(=O)CCS(=O)(=O)c2cccc3nonc23)c1,CID3242005,,,,,,,,,0.0,,,,,,,0.0,
COc1ccc(N(C)C(=O)CCS(=O)(=O)c2cccc3nonc23)cc1,CID3244015,,0.0,,,,,,,,,,,,,,,
Cc1cccc(N(C)C(=O)CCS(=O)(=O)c2cccc3nonc23)c1,CID3245949,,0.0,,,,,,,,,,,,,,,
CCc1cccc(NC(=O)CCS(=O)(=O)c2cccc3nonc23)c1,CID3240447,,0.0,0.0,,,,,,0.0,,0.0,,,,,0.0,0.0
COC(=O)c1ccccc1NC(=O)CSc1n[nH]c(CC(C)C)n1,CID750826,,0.0,,,,,,,0.0,0.0,,,,,,0.0,
CC(C)c1nc(SCC(=O)Nc2cccc(S(N)(=O)=O)c2)n[nH]1,CID3636779,,,,,,0.0,,,,,,,,,,,
COC(=O)c1ccccc1NC(=O)CSc1n[nH]c(C)n1,CID753423,,,,,,,,,0.0,0.0,,0.0,,,,,
Nc1nc(SCC(=O)Nc2ccc(Br)cc2F)n[nH]1,CID1265137,0.0,,,,,,,,0.0,,,,,,,,
CCc1nc(SCC(=O)Nc2ccccc2C(=O)OC)n[nH]1,CID2168969,,0.0,,,,,,0.0,0.0,,,0.0,,,,0.0,
CC(C)Cc1nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1,CID2287211,,,,,,,,,0.0,,,,,,,,
CCc1nc(SCC(=O)Nc2ccc(C(=O)O)cc2)n[nH]1,CID1519082,,0.0,,0.0,,,,,0.0,,,0.0,,,,,
CCCCc1nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1,CID2162441,,,,,,,,,,0.0,,,,,,0.0,
Cc1nc(SCC(=O)Nc2cccc(Cl)c2)n[nH]1,CID895833,,,,,,,,,,,,,,,,,0.0
Cc1cccc(N2C(=O)NC(=O)C3(Cc4cc(C)ccc4N(C)C3)C2=O)c1,CID665844,,,,,0.0,0.0,,,,0.0,0.0,0.0,,,,,
Cc1ccc2c(c1)CC1(CN2C)C(=O)NC(=O)N(c2ccccc2C)C1=O,CID666205,,,0.0,,0.0,,,,,0.0,0.0,,,,,,
Cc1ccc2c(c1)CC1(CN2C)C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O,CID665424,,,0.0,,0.0,,,0.0,,,,,,,,,
COc1ccc(OC)c(N2C(=O)NC(=O)C3(Cc4cc(C)ccc4N(C)C3)C2=O)c1,CID667035,,,,,0.0,0.0,,0.0,,,,,0.0,,,,
COc1cccc(N2C(=O)NC(=O)C3(Cc4cc(C)ccc4N(C)C3)C2=O)c1,CID665347,,,0.0,,0.0,,,0.0,,,,,,,,,
COc1ccccc1N1C(=O)NC(=O)C2(Cc3cc(C)ccc3N(C)C2)C1=O,CID666293,,,0.0,,0.0,,,0.0,,,,,0.0,,,,
Cc1ccc2c(c1)CC1(CN2C)C(=O)NC(=O)N(c2cccc(C)c2C)C1=O,CID666408,,,,,0.0,,0.0,0.0,,,,,,,,,
Cc1ccc2c(c1)CC1(CN2C)C(=O)NC(=O)N(c2cc(C)ccc2C)C1=O,CID667312,,,0.0,,0.0,,,,,,,,,,,,
COc1ccc2c(c1)CC1(CN2C)C(=O)NC(=O)N(c2ccc(C)cc2)C1=O,CID665820,,,,,0.0,,,0.0,,,,,,,,,
O=C(O)/C=C/c1ccc2c(-c3ccccc3)onc2c1,CID2145750,,,,,,,,,,,,,,0.0,,,
Cc1ccc(-c2onc3ccc(Cl)cc23)cc1,CID618289,,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2onc3ccc(Cl)cc23)cc1OC,CID751203,,0.0,,0.0,,,,,,0.0,,,,,,,0.0
O=Cc1ccc2noc(-c3ccccc3)c2c1,CID738010,,,,,,0.0,,,0.0,,,,,0.0,,,
O=Cc1ccc2noc(-c3ccc(Cl)cc3)c2c1,CID738011,,,,,,,,,,0.0,,,,,,,
O=Cc1ccc2noc(-c3ccc(F)cc3)c2c1,CID1491653,,,,,,,,,,,,,,,0.0,,
O=C(O)c1ccc2noc(-c3ccccc3)c2c1,CID644438,,,,,,,,,0.0,,,,,,,,
CC(=O)c1ccc2noc(-c3ccc(C)cc3)c2c1,CID3569182,,,,,,,,,,,,,,,0.0,,
Cc1ccc(-c2onc3ccc(C=O)cc23)cc1,CID2764245,,,,,,0.0,,,0.0,,0.0,,,0.0,,,
CCSc1nc(-c2ccc(OC)cc2)cc(-c2ccccc2)c1C#N,CID1645174,,,,,,,,,,,0.0,,,,0.0,,
CS(=O)(=O)c1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N,CID893661,,,,,,,,,,,0.0,,,,,,
CCSc1nc(-c2ccc(OC)cc2)cc(-c2ccc(OC)cc2)c1C#N,CID1067657,,,,,,0.0,,,,,,,,,,,
CS(=O)c1nc(-c2ccc(Br)cc2)cc(-c2ccccc2)c1C#N,CID1316704,0.0,,,,,,,,,,0.0,,,,,0.0,0.0
COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(S(C)(=O)=O)n2)cc1,CID1314240,,,,,,,,,,0.0,0.0,,,0.0,,,
N#Cc1c(-c2ccccc2Cl)cc(-c2ccccc2)nc1Br,CID1068811,,,,,,,,,,,,,,0.0,,,
CS(=O)(=O)c1nc(-c2ccc(Br)cc2)cc(-c2ccccc2)c1C#N,CID1317357,,,,,,,,,0.0,,0.0,,,,,,
N#Cc1c(-c2cccc(F)c2)cc(-c2ccccc2)nc1Br,CID1105833,,,,,,,,,,,,,,,0.0,,
COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(S(C)=O)n2)cc1,CID697592,,,,,,,,,,,,,,0.0,,,
CCCCSc1nn[nH]n1,CID645362,,,,0.0,,,,,,,,,,,,0.0,
CC(C)(C#N)C(C)(C)c1nn[nH]n1,CID658987,,0.0,,0.0,,,,,,,,,,,,,
CCOC(=O)Cc1nnn(CC(=O)OCC)n1,CID575165,,,0.0,,,,,,,,,,,,,,
CCCCCC(=O)Nc1nnn(CCC)n1,CID1951375,,,,,,,,,,0.0,,0.0,,,,,
CC(C)C(=O)Nc1nnn(C)n1,CID662391,,0.0,0.0,,,,,,,,,0.0,,,,,
CCCCC(=O)Nc1nnn(CCC)n1,CID2193857,,0.0,,,,,,,,,,0.0,,,,,
CCCCn1nnc(NC(=O)CCC)n1,CID2219049,,,,,,,,,0.0,,,,,,,,
CC(C)CC(=O)Nc1nnn(C)n1,CID663041,,0.0,,0.0,,,,,,,,0.0,,,,,
CN(C)CCc1nn[nH]n1,CID250709,,,,0.0,,,,,0.0,,,,,,,,
COc1cc(OC)c(C#N)c(S(=O)(=O)Cc2ccccc2)c1,CID708852,,,,,,0.0,,,0.0,0.0,,0.0,,0.0,,,
COc1ccc(S(=O)(=O)Cc2ccccc2)cc1N,CID76059,,0.0,0.0,,0.0,,0.0,0.0,,,,,,,,,
COC(=O)c1cccc([N+](=O)[O-])c1CS(=O)(=O)c1ccc(C)cc1,CID1473502,,,,,,,,,,,,,,0.0,,,
O=C(O)c1ccc([N+](=O)[O-])c(CS(=O)(=O)c2ccc(Cl)cc2)c1,CID1476508,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccc(CS(=O)(=O)c2ccc(C)cc2)cc1,CID958564,,,,,,,,,0.0,,,,,0.0,0.0,,
O=C(O)c1ccccc1S(=O)(=O)Cc1ccccc1,CID561426,,,,,,,,0.0,0.0,,,,,0.0,,0.0,
O=C(O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1,CID3239622,,,0.0,,,,,,,,,0.0,0.0,,,,
C=CCNC(=O)CSc1cc([N+](=O)[O-])cc(S(=O)(=O)Cc2ccccc2)c1,CID1767537,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccc(S(=O)(=O)Cc2ccccc2Cl)cc1,CID958558,,,,,,,,,,,,,,0.0,,,
COc1ccc2c(C)nc(Nc3nc(C)cc(C)n3)nc2c1,CID658255,,0.0,,,,,0.0,,,0.0,,0.0,,,,0.0,
CC(=O)c1cnc(Nc2nc(C)c3cc(C)ccc3n2)nc1C,CID945142,,,,0.0,,,,,,,,0.0,,,,,
Cc1ccc2nc(Nc3nc(C)cc(C(F)(F)F)n3)nc(C)c2c1,CID646503,0.0,,,,0.0,,,,,,,,,,,,
CC(=O)c1cnc(Nc2nc(C)c3ccc(C)cc3n2)nc1C,CID647432,,0.0,0.0,0.0,,,,,,,,,,,,,
COc1cc(C)nc(Nc2nc(C)c3ccc(C)cc3n2)n1,CID3137918,,,,,,0.0,,,,,,,,,,,
CC(=O)c1cnc(Nc2nc(C)c3cccc(C)c3n2)nc1C,CID646501,,,,,,,,,,,,,0.0,,,,
CC(=O)c1cnc(Nc2nc(C)c3cc(C)c(C)cc3n2)nc1C,CID942701,,,,,,,,,,,,,,,0.0,,
CC(=O)c1cnc(Nc2nc(C)c3ccccc3n2)nc1C,CID945807,,0.0,,,,,0.0,0.0,,,,,,,0.0,,
Cc1cc(C(F)(F)F)nc(Nc2nc(C)c3ccccc3n2)n1,CID946347,0.0,0.0,,,0.0,,,,0.0,,,,,,,,
COCCN1C(=O)C(CC(=O)Nc2ccc(C(C)=O)cc2)S/C1=N\c1ccccc1,CID2998000,,,0.0,,0.0,,,0.0,,,,,,,,,0.0
COCCN1C(=O)C(CC(=O)Nc2ccccc2)S/C1=N\c1ccc(OC)cc1,CID4176343,,,,,,,,,,0.0,,,,,,,
CCN1C(=O)C(CC(=O)Nc2cc(C)ccc2C)S/C1=N\c1ccc(S(N)(=O)=O)cc1,CID2936640,,,,,,,,,0.0,,,,,,,,
CC(O)CN1C(=O)C(CC(=O)Nc2ccc(Cl)cc2)S/C1=N\c1ccccc1,CID3237198,,,,,0.0,,,,0.0,,,0.0,0.0,,,,0.0
O=C(CC1S/C(=N\c2ccccc2)N(CCCO)C1=O)Nc1ccc(Cl)cc1,CID3243139,,0.0,0.0,,0.0,,,,,,,,0.0,,,,0.0
C=CCN1C(=O)C(CC(=O)Nc2ccccc2)S/C1=N\c1ccc(S(N)(=O)=O)cc1,CID4179687,,,,,,0.0,,,,,,,,,,,
COCCN1C(=O)C(CC(=O)Nc2ccc(C(=O)O)cc2)S/C1=N\c1ccccc1,CID3241892,,,,,0.0,,,,0.0,0.0,,,,,0.0,,0.0
CCN1C(=O)C(CC(=O)Nc2c(C)cccc2C)S/C1=N\c1ccc(S(N)(=O)=O)cc1,CID4396896,,,,,,,,,,,,0.0,,,,,
COc1ccc(/N=C2\SC(CC(=O)Nc3ccc(OC)cc3OC)C(=O)N2C)cc1,CID2936993,,,0.0,,0.0,,,,,,0.0,,,,0.0,,
CCc1nnc(NC(=O)c2cccs2)s1,CID745404,,0.0,0.0,0.0,0.0,,,,,0.0,0.0,,0.0,0.0,,,
COCc1nnc(NC(=O)c2cccs2)s1,CID795325,0.0,,,0.0,,,0.0,,0.0,,0.0,,,,0.0,,
CCSc1nnc(NC(=O)c2cccs2)s1,CID871907,,,,0.0,0.0,,,,0.0,,,,0.0,,,,
CCCc1nnc(NC(=O)c2cccs2)s1,CID809018,,,,,,0.0,,,0.0,0.0,,,,,,,
CCOCCc1nnc(NC(=O)c2cccs2)s1,CID1633446,0.0,0.0,,0.0,,,0.0,,0.0,0.0,0.0,,0.0,0.0,0.0,,
CC(C)(C)c1nnc(NC(=O)c2cccs2)s1,CID695198,,,,,,,,,,,,,,0.0,,,
CCOCc1nnc(NC(=O)c2cccs2)s1,CID1825745,,,0.0,,,,0.0,,0.0,0.0,,,0.0,,0.0,,
CCSc1nnc(NC(=O)c2ccc(Br)s2)s1,CID1246514,,,,,0.0,,,,0.0,,,,,,,,
CC(C)c1nnc(NC(=O)c2cccs2)s1,CID809020,0.0,0.0,0.0,0.0,0.0,,,,0.0,,0.0,,,,,,
CC1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CCSc2nc3ccccc3o2)CC1,CID666257,0.0,0.0,,,0.0,,,,,,0.0,,,,,,
Cn1c(=O)c2c(nc(N3CCCCC3)n2CCSc2nc3ccccc3o2)n(C)c1=O,CID667357,0.0,,,,0.0,,,0.0,,,,,,,,0.0,
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCC1)n2CCSc1nc2ccccc2o1,CID3881360,0.0,,,,0.0,0.0,,0.0,,,,,,,,0.0,
CC1CCCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CCSc2nc3ccccc3o2)C1,CID666659,0.0,,,0.0,,,0.0,0.0,,,0.0,,,,,0.0,
CC1CC(C)CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCSc2nc3ccccc3o2)C1,CID3371585,,,0.0,,,,0.0,0.0,,,,,,,,0.0,
CC1CC(C)CN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CCSc2nc3ccccc3o2)C1,CID3939743,,,,,,,,,,,,,,,,0.0,
CC1CCCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCSc2nc3ccccc3o2)C1,CID4586005,0.0,,0.0,,,,,,,,,,,,,,
CCC1CCCCN1c1nc2c(c(=O)n(C)c(=O)n2C)n1CCSc1nc2ccccc2o1,CID4888431,0.0,,0.0,,,,,,,,,,,,,,
CC1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCSc2nc3ccccc3o2)CC1,CID653101,0.0,0.0,,,0.0,,,,,,0.0,,,,,0.0,
Cn1c(=O)c2[nH]c(CNCc3ccccc3Cl)nc2n(C)c1=O,CID667194,0.0,0.0,,,,,0.0,,,,,,,,0.0,,
COCCn1c(CN(C)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C,CID2987290,,,,,,,,0.0,,,,,0.0,,,,
CCCCn1c(CN(C)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C,CID667213,,,,,,,,,,,,,,,,0.0,
CC(C)CCn1c(CN(C)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C,CID666623,,,,,,0.0,,,,,,,0.0,,,,
CN(Cc1ccccc1)Cc1nc2c([nH]1)c(=O)[nH]c(=O)n2C,CID666513,,0.0,,0.0,,,0.0,0.0,,,,,,,,0.0,
CN(Cc1ccccc1)Cc1nc2c([nH]1)c(=O)n(C)c(=O)n2C,CID650949,,,,,,,,,,,,,,,0.0,,
CCOCCn1c(CN(C)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C,CID3156038,,,,,,,0.0,0.0,,,,,0.0,,,,
CC(C)Cn1c(CN(C)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C,CID3544833,,,,,,,,0.0,,,,,,,,,
CCCCCn1c(CN(C)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C,CID662859,,,,,,,,0.0,,,,,,,,,
CCOc1ccccc1C(=O)N(Cc1ccco1)C1CCS(=O)(=O)C1,CID665764,,,,,,0.0,,,0.0,0.0,,,,,0.0,0.0,
CCOc1cccc(C(=O)N(Cc2ccco2)C2CCS(=O)(=O)C2)c1,CID664684,,,,,,,0.0,0.0,0.0,0.0,,,,,,0.0,
CCCCOc1cccc(C(=O)N(Cc2ccco2)C2CCS(=O)(=O)C2)c1,CID663923,,,0.0,0.0,,,,,,,,0.0,,,,0.0,
CCCCCOc1ccc(C(=O)N(Cc2ccco2)C2CCS(=O)(=O)C2)cc1,CID663631,,,,,,0.0,,,0.0,0.0,0.0,,,0.0,,0.0,0.0
COc1ccccc1C(=O)N(Cc1ccco1)C1CCS(=O)(=O)C1,CID664384,,,,,,,0.0,,0.0,0.0,,,0.0,,,,
CC(C)Oc1ccc(C(=O)N(Cc2ccco2)C2CCS(=O)(=O)C2)cc1,CID664062,,,0.0,,,,,,,,,,,,,,
CCCOc1ccccc1C(=O)N(Cc1ccco1)C1CCS(=O)(=O)C1,CID665645,,,0.0,,,0.0,,0.0,,,,,,,,0.0,
CC(C)COc1ccc(C(=O)N(Cc2ccco2)C2CCS(=O)(=O)C2)cc1,CID664690,,,,,,0.0,,,,0.0,,,,,,0.0,
CCCOc1cccc(C(=O)N(Cc2ccco2)C2CCS(=O)(=O)C2)c1,CID664588,,,0.0,0.0,,,,,,,0.0,,,,,0.0,
CCOC(=O)N1CCN(CCC(=O)Nc2ccccc2OC)CC1,CID847302,,,,,,,,,,,0.0,,,,,,
CCOC(=O)N1CCN(CCC(=O)Nc2ccc(OC)cc2OC)CC1,CID2902976,,,,,,,,,,0.0,,,,,,,
CCOC(=O)N1CCN(CCC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1,CID3245399,0.0,,,,,,,,,,,0.0,,,,,
COc1cccc(NC(=O)CCN2CCN(C)CC2)c1,CID645024,,,,,,,,0.0,0.0,,,,0.0,,,,
COc1cc(Cl)cc(NC(=O)CCN2CCN(C)CC2)c1,CID655203,0.0,0.0,,0.0,,,0.0,,,,,,,,0.0,0.0,
CN1CCN(CCC(=O)Nc2ccccc2Cl)CC1,CID719570,,0.0,,0.0,,,0.0,,,0.0,,0.0,0.0,,0.0,,0.0
CCOC(=O)N1CCN(CCC(=O)Nc2ccc(OC)cc2)CC1,CID704276,,,,,,,,,,,,,,,,0.0,
CCOC(=O)N1CCN(CCC(=O)Nc2ccc(Br)cc2)CC1,CID1149587,,,,,,,,,0.0,,,0.0,,,,,
CCN1CCN(CCC(=O)Nc2ccccc2OC)CC1,CID652651,,,,,,,,0.0,,,,,,,,,
Cc1ccc(-n2nc(C(=O)O)cc2-c2ccccc2)cc1,CID750183,,,,,,,,,0.0,,,,,,,,
O=C(O)c1cc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1,CID1477229,,,,,,,,,,,,,,0.0,,,
CCNC(=O)c1ccc(-n2nc(C)cc2-c2ccccc2)cc1,CID826946,,,,,,0.0,,,,,,0.0,,,,,
Cc1cc(-c2ccccc2)n(-c2ccc(C(=O)NC(C)C)cc2)n1,CID826947,,,,,,0.0,,,,,,,,,,,
O=C(O)c1cc(-c2ccccc2)n(-c2ccccc2)n1,CID869152,,,,,,,,,,0.0,,,,,,,
Cc1ccc(-n2nc(C(=O)O)cc2-c2ccc(Cl)cc2)cc1,CID1477242,,,,,,,,,,,,,,0.0,,,
O=C(O)c1cnn(-c2ccccc2)c1-c1ccccc1,CID3801066,,,,,,,,,,,,,,,0.0,,
O=C(O)c1cc(-c2ccccc2)n(-c2ccccc2C(=O)O)n1,CID3239291,,,0.0,,,,,,,,,,,,0.0,,
Cc1nn(-c2ccccc2)c(-c2ccccc2)c1C(=O)O,CID775692,,,,,,0.0,,,,,,,0.0,,,,
CCOC(=O)c1cccc(NC(=O)CS(=O)(=O)Cc2nc(-c3cccc(OC)c3)oc2C)c1,CID3237787,,0.0,,,0.0,,,,,0.0,0.0,,,,,0.0,
COc1cc(OC)c(NC(=O)CS(=O)(=O)Cc2nc(-c3ccc(C)cc3)oc2C)cc1Cl,CID5307466,0.0,,,,,,,,,,,,,0.0,,,
Cc1ccccc1-c1nc(CS(=O)(=O)CC(=O)Nc2cc(F)ccc2F)c(C)o1,CID5307965,,0.0,,,,,,,,,,,,,,,
COc1cccc(-c2nc(CS(=O)(=O)CC(=O)Nc3c(C)cccc3C)c(C)o2)c1,CID5307967,,,,,,,,,,,0.0,,,,,,
COC(=O)c1ccccc1NC(=O)CS(=O)(=O)Cc1nc(-c2ccc(C)cc2)oc1C,CID5307654,,,,0.0,,0.0,,0.0,,0.0,,,,,,0.0,0.0
COc1ccc(-c2nc(CS(=O)(=O)CC(=O)Nc3ccc(Cl)cc3)c(C)o2)cc1,CID5308657,0.0,,0.0,0.0,,,,,,,0.0,,0.0,,,,
COc1cccc(-c2nc(CS(=O)(=O)CC(=O)Nc3cccc(C)c3C)c(C)o2)c1,CID5308518,,0.0,,,,,,0.0,,,,,0.0,,,,0.0
COc1cccc(-c2nc(CS(=O)(=O)CC(=O)Nc3cc(C)ccc3C)c(C)o2)c1,CID5308176,,,,,,,,,,,,,,,,0.0,
COc1ccc(OC)c(NC(=O)CS(=O)(=O)Cc2nc(-c3ccccc3C)oc2C)c1,CID5308327,,,,,,,,,,,,,,,,0.0,0.0
CC(=O)c1ccc(NC(=O)CSC2=C(C#N)C(c3ccco3)C3=C(CCCC3=O)N2)cc1,CID659988,,,0.0,,0.0,0.0,,,0.0,,0.0,,,,,,0.0
Cc1ccc(NC(=O)CSC2=C(C#N)C(c3ccco3)C3=C(CCCC3=O)N2)cc1,CID661618,,,0.0,,0.0,,,,,,,,,,,,
CCCCc1ccc(NC(=O)CSC2=C(C#N)C(c3ccco3)C3=C(CCCC3=O)N2)cc1,CID661727,0.0,,,,,,,,,,,,,,,,
CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)Nc1ccccc1)=C(C#N)C2c1ccco1,CID2951576,0.0,,,0.0,0.0,,,,,0.0,,,,,,,0.0
COc1ccc(NC(=O)CSC2=C(C#N)C(c3ccco3)C3=C(CCCC3=O)N2)c(OC)c1,CID661707,,0.0,0.0,,0.0,,,0.0,,,0.0,,,,0.0,,
COc1ccc(OC)c(NC(=O)CSC2=C(C#N)C(c3ccco3)C3=C(CCCC3=O)N2)c1,CID661483,,,,,0.0,,,,,,0.0,,,,,,
COc1cccc(NC(=O)CSC2=C(C#N)C(c3ccco3)C3=C(CCCC3=O)N2)c1,CID660029,,,0.0,,0.0,,,,0.0,,,,,,,,
CCc1ccc(NC(=O)CSC2=C(C#N)C(c3ccco3)C3=C(CCCC3=O)N2)cc1,CID660076,,,,0.0,0.0,,,,,0.0,,0.0,,,,,0.0
Cc1ccc(NC(=O)CSC2=C(C#N)C(c3ccco3)C3=C(CC(C)(C)CC3=O)N2)cc1,CID2953312,,,0.0,,0.0,,,0.0,,,,,,,,,0.0
C=CCSc1nc(=O)c(C#N)c(-c2ccccc2)[nH]1,CID2193420,,,,,,,,,,0.0,0.0,,,,,,
COC(=O)C(CC(C)C)NC(=O)CSc1nc(=O)c(C#N)c(-c2ccccc2)[nH]1,CID3239149,,0.0,,0.0,,,,,0.0,,,,0.0,,,0.0,
CCSc1nc(=O)c(C#N)c(-c2ccccc2)[nH]1,CID892085,,0.0,,0.0,,,0.0,,,,0.0,,,,0.0,0.0,
CC(C)Sc1nc(=O)cc(-c2ccccc2)[nH]1,CID884342,,,,,,0.0,,,,,,,,,,,
CC(Sc1nc(=O)cc(-c2ccccc2)[nH]1)C(=O)O,CID2772533,,,,,,,,,0.0,,,0.0,,0.0,,,
Cc1nc(=O)cc(-c2ccccc2)[nH]1,CID604083,,,,,,0.0,,0.0,,,,0.0,,,,0.0,
CCC(Sc1nc(=O)cc(-c2ccccc2)[nH]1)C(=O)O,CID2772420,,,0.0,0.0,,,0.0,0.0,0.0,,,,0.0,,,,0.0
CCN(CC)C(=O)CSc1nc(=O)cc(-c2ccccc2)[nH]1,CID976703,,,,,,,,,,,,,,,0.0,,
O=C(O)CSc1nc(=O)cc(-c2ccccc2)[nH]1,CID739041,,,,,,,,,,,,0.0,,,,,
CCCN1C2=C(C(=O)CCC2)C(c2ccc(O)c(Br)c2)C2=C1CCCC2=O,CID1533848,0.0,,,,,,0.0,,0.0,,,0.0,,,,0.0,0.0
CCN1C2=C(C(=O)CCC2)C(c2ccc(O)cc2)C2=C1CCCC2=O,CID2293535,,,,,,,0.0,,,,,,,,,0.0,0.0
Cc1ccccc1C1C2=C(CC(C)(C)CC2=O)NC2=C1C(=O)CC(C)(C)C2,CID1076781,,,,,,0.0,,,,,,,,,,,
CCOc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc(Cl)c1O,CID648240,,0.0,,0.0,,,,,,,,,,,,0.0,
CCN(CC)CCN1C2=C(C(=O)CC(C)(C)C2)C(c2cccc(F)c2)C2=C1CC(C)(C)CC2=O,CID4644797,,,,,,,,,,,,,,,0.0,,
CCOc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)ccc1OCCO,CID2982265,,,0.0,,0.0,,0.0,0.0,,,0.0,,,,,,
CCN1C2=C(C(=O)CCC2)C(c2ccc(O)c(Br)c2)C2=C1CCCC2=O,CID1326179,0.0,,,,,,,,,,0.0,0.0,,,0.0,,0.0
CCOc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc(Cl)c1O,CID647395,,,0.0,,,,,,,,,,,,,0.0,0.0
COc1ccc(OC)c(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)c1,CID1090132,,,,,,0.0,,,,,,,,,,,
COc1ccc2nc(N3CCC(C)CC3)c(C#N)cc2c1,CID651283,0.0,0.0,0.0,,,,0.0,0.0,,,,0.0,,,0.0,0.0,
COc1ccc2nc(N3CCCCC3)c(C#N)cc2c1,CID649193,0.0,,,,,,,,,,,,0.0,,,0.0,
COc1ccc2nc(N3CCCC(O)C3)c(C#N)cc2c1,CID653657,,,,0.0,0.0,,,,,,,,,,,,
Cc1ccc2cc(C=C(C#N)C#N)c(N3CCCCC3)nc2c1,CID1076113,,,,,,,,,,,,0.0,,,,,
COc1ccc2nc(N3CCC(O)CC3)c(C#N)cc2c1,CID650445,,0.0,0.0,,,,,,0.0,,,,,,0.0,,0.0
N#C/C(=C\c1cc2ccccc2nc1N1CCCCC1)C(N)=O,CID1515820,,,,,,,,,,,,,,0.0,0.0,,
Cc1cccc2cc(C#N)c(N3CCC(O)CC3)nc12,CID1454284,,,,,,,,,,,,,,,0.0,,
CCN(CC)CCCNC(=O)CCC(=O)Nc1ccc2nc(N3CCC(C)CC3)cc(C)c2c1,CID16188839,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C1CCN(c2nc3cc(OC)ccc3cc2C#N)CC1,CID651141,,,,,0.0,,,,0.0,,,,0.0,,0.0,,0.0
O=C(NCCCN1CCOCC1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CID3111269,,,,,,,,,,,,,,0.0,,,
O=C(NCCCN1CCOCC1)c1c(F)cccc1F,CID2225470,,,,0.0,,,,,,,,,,,,,0.0
O=C(NCCCN1CCOCC1)c1ccc(Br)cc1,CID2298646,0.0,,,,,,0.0,,,,0.0,0.0,,,,0.0,0.0
Cc1ccc(C(=O)NCCCN2CCOCC2)cc1,CID1739911,,,,,,,,,,,0.0,0.0,,,,,
COc1ccc(C(=O)NCCCN2CCOCC2)cc1OC,CID2183977,,,,,,,,,,,,0.0,,,,,
COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NCCCN2CCOCC2)cc1,CID2998789,,,,0.0,0.0,,,,,,,,0.0,,,,
Cc1c(Br)cc(C(=O)NCCCN2CCOCC2)c(C)c1C,CID1981852,0.0,,,,,,,,0.0,,,0.0,,,,0.0,
CCN(CC)S(=O)(=O)c1cccc(C(=O)NCCCN2CCOCC2)c1,CID2311460,,,,,,,,,0.0,,,,,,,0.0,
CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NCCCN2CCOCC2)c1,CID3236507,,,,,,,,,,,,,,,,0.0,
O=C(Oc1cccnc1)c1cccc(Cl)c1,CID943638,,,0.0,,,,,,,0.0,,,,,,0.0,
O=C(Oc1cccnc1)c1ccc(Cl)c(Cl)c1,CID3239779,,,,0.0,,,,,,,,,0.0,,,0.0,
CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Oc2cccnc2)c1,CID649163,0.0,0.0,0.0,,0.0,,,0.0,,0.0,,,0.0,,,,
Cc1cc(C(=O)Oc2cccnc2)ccc1[N+](=O)[O-],CID4665541,,,,,,,,,,,,,,0.0,,,
Cc1ccc(OC(=O)c2ccc(C)c(C)c2)cn1,CID3242485,0.0,,,,,,,,,,0.0,,,,,,
COc1ccc(C(=O)Oc2cccnc2)cc1OC,CID806488,,,0.0,,,,,0.0,0.0,,0.0,,0.0,0.0,0.0,,
COc1ccc(C(=O)Oc2cccnc2)cc1,CID1120962,,,,,,,,,0.0,,0.0,,,,0.0,,
CCCCOc1ccc(C(=O)Oc2ccc(C)nc2)cc1,CID3245584,,,,,,,,0.0,,,,,,,,,
CCN(CC)S(=O)(=O)c1cccc(C(=O)Oc2cccnc2)c1,CID644465,,,0.0,,,,0.0,,,,,0.0,,,,0.0,0.0
COC(=O)c1ccccc1COn1c(=O)c(C)[n+]([O-])c2ccccc21,CID976976,,,0.0,,,,,0.0,,,,,0.0,0.0,,,0.0
Cc1c(=O)n(OCc2ccccc2F)c2ccccc2[n+]1[O-],CID976139,,,,0.0,,,,,,,,,,,,,
O=c1c[n+]([O-])c2ccccc2n1OCc1ccccc1,CID710916,,,,,,0.0,,,,,,,,,,,
COC(=O)c1ccc(COn2c(=O)c(C)[n+]([O-])c3ccccc32)cc1,CID977093,,,,,,0.0,,,,0.0,,,,0.0,0.0,,
O=c1c[n+]([O-])c2ccccc2n1OCc1c(F)cccc1F,CID947805,,,,0.0,,,,,,,,,,,,,0.0
Cc1c(=O)n(OCc2c(F)cccc2F)c2ccccc2[n+]1[O-],CID660102,,,,0.0,,,,,,,,0.0,,,,,0.0
Cc1c(=O)n(OCc2ccccc2)c2ccccc2[n+]1[O-],CID710911,,,0.0,,0.0,0.0,,,0.0,,,,0.0,,,0.0,0.0
COC(=O)c1ccccc1COn1c(=O)c[n+]([O-])c2ccccc21,CID2200259,0.0,,0.0,,,,,,,,0.0,,0.0,0.0,,,
COc1ccc(COn2c(=O)c(C)[n+]([O-])c3ccccc32)cc1OC,CID930332,0.0,,,,,,,0.0,,,,,0.0,,,,
Cc1ccc(C2CC(=O)C=C(O)C2)cc1,CID2886808,,,,,,,,,0.0,,,,,0.0,,,
COc1cc(C2CC(=O)C=C(O)C2)cc(OC)c1OC,CID2896403,,,,,,,0.0,,0.0,,0.0,,,0.0,,,
CCOC(=O)C1C(=O)C=C(C)C(C(=O)OCC)C1c1ccc(OC)cc1,CID617822,,,,,,0.0,0.0,0.0,,,,,,,,,
O=C1C=C(O)CC(c2ccc(Cl)c(Cl)c2)C1,CID659476,,,,,,,,,,,,,,,,0.0,0.0
O=C1C=C(O)CC(c2ccc(Cl)cc2)C1,CID3366869,,,0.0,,,,,,,,0.0,,,,,,
CCCCCNC1=CC(=O)CC(c2ccccc2)C1,CID4040614,,,,,,0.0,,,,,,,,,,,
COc1cccc(C2CC(=O)C=C(NCCCN(C)C)C2)c1,CID3242007,0.0,,,,,,,,,0.0,,,0.0,,,,
CC(C)CCNC1=CC(=O)CC(c2ccccc2)C1,CID2884079,,,,,,0.0,,,,,,,,,,,
COc1ccc(C2CC(=O)C=C(NCCC(C)C)C2)cc1,CID2885930,,,,,,,,,,0.0,0.0,,,,,,
COCCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCCC1,CID660843,,,,,,0.0,0.0,,,0.0,0.0,,,,,,
COCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCCC1,CID659723,,0.0,,0.0,,,0.0,,,,,,,,,,
CCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCCC1,CID659745,,0.0,,,,,,0.0,,0.0,,,0.0,,,,
CC(C)OC(=O)C(C#N)c1nc2ccccc2nc1N1CCCC1,CID660457,,,0.0,0.0,,,,,,,,,,0.0,0.0,,
CCCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCCC1,CID659807,,0.0,,,,,,0.0,,0.0,,0.0,,0.0,,,
C=CCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCCC1,CID660535,,,,,,,,,,,,,,0.0,,,
Nc1nc2ccccc2nc1N1CCCC1,CID2041326,,,,,,,,,,,,,,,0.0,,
COC(=O)C(C#N)c1nc2ccccc2nc1N1CCCC1,CID660257,,,0.0,,,,,,,,,,0.0,,,,
CCCCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCCC1,CID2999890,,,,0.0,,,,,,,,,,,,,
COc1ccccc1NC(=O)c1cn(C)c(=O)c2cc(OC)c(OC)cc12,CID3237240,,,,,,,0.0,0.0,,,0.0,0.0,,,,0.0,
COc1ccc(OC)c(NC(=O)c2cn(C)c(=O)c3cc(OC)c(OC)cc23)c1,CID3245393,,,,,,,,0.0,,,,,,,,,
CCc1ccccc1N(CC)C(=O)c1cn(C)c(=O)c2cc(OC)c(OC)cc12,CID3243066,0.0,,,,,,,0.0,,,,,,,,,
CCN(C(=O)c1cn(C)c(=O)c2cc(OC)c(OC)cc12)c1ccccc1C,CID3242411,0.0,,0.0,,,,,0.0,,,0.0,,,,,,0.0
CCN(C(=O)c1cn(CC)c(=O)c2cc(OC)c(OC)cc12)c1ccccc1C,CID3236566,,,,,,,,,,,,,0.0,,,0.0,
CCn1cc(C(=O)Nc2cccc(NC(C)=O)c2)c2cc(OC)c(OC)cc2c1=O,CID3237553,,,,,,,,,,,,,0.0,,,,
CCN(C(=O)c1cn(C)c(=O)c2cc(OC)c(OC)cc12)c1cc(C)ccc1C,CID3245839,,,,,,,,,,,,,0.0,,,,
CCc1ccccc1N(CC)C(=O)c1cn(CC)c(=O)c2cc(OC)c(OC)cc12,CID3243662,0.0,,,,,,,,,,,0.0,,,,,
COc1cccc(NC(=O)c2cn(C)c(=O)c3cc(OC)c(OC)cc23)c1,CID3237562,,,0.0,0.0,,,,0.0,,,0.0,0.0,,,,,
CCS(=O)(=O)NC(C)C(c1cccs1)N1CCN(C)CC1,CID3240176,,,,,0.0,,,,,0.0,,,,,,,
CN1CCN(Cc2ccc(Br)s2)CC1,CID677217,,,,,,,,,0.0,,,,,0.0,,,
CCOC(=O)N1CCN(Cc2cccs2)CC1,CID783744,,,,0.0,0.0,,0.0,,,,,,,,,,
CCN1CCN(C(c2cccs2)C(C)NC(=O)CC(C)C)CC1,CID3237871,,0.0,0.0,0.0,,,,,,,0.0,,,,,,
CC(NS(C)(=O)=O)C(c1cccs1)N1CCN(C)CC1,CID3236587,,,,,,,,,,0.0,,,,,,,
CCN1CCN(C(c2cccs2)C(C)NC(=O)C(C)C)CC1,CID4654599,,0.0,,,,,,0.0,,,,,,,,,
CCCC(=O)NC(C)C(c1cccs1)N1CCN(C)CC1,CID3240734,,0.0,,,,,,0.0,,,0.0,,,,,,
CC(C)C(=O)NC(C)C(c1cccs1)N1CCN(C)CC1,CID3243425,,,,,,,,0.0,,,,,,,,,
CC(=O)N1CCN(Cc2ccc(Br)s2)CC1,CID743462,,,,,,,,,0.0,,,,,0.0,,0.0,0.0
CCOC1=CC(=O)/C(=C2\NNC(C)=C2c2ccccc2OC)C=C1,CID5389718,,,,,,,,0.0,,,,,,,,,
COC1=CC(=O)/C(=C2\NNC(C)=C2c2ccc(OC)c(OC)c2)C=C1,CID5389845,,,,,,,0.0,0.0,,,,,,,,,
COC1=CC(=O)/C(=C2\NNC=C2c2ccc(Cl)cc2)C=C1,CID5389822,,,,,,,0.0,,,,,,,,,,
C=C(C)COC1=CC(=O)/C(=C2/NNC=C2c2ccccc2OC)C=C1,CID5389737,,,,,,0.0,0.0,0.0,,,0.0,,,,,,
COC1=CC(=O)/C(=C2\NNC(C)=C2c2ccc(Cl)cc2)C=C1,CID5423869,,,,,,0.0,,,,,,,,,,,
C=C(C)COC1=CC(=O)/C(=C2\NNC(C)=C2c2ccccc2)C=C1,CID5389906,,0.0,,,,,0.0,0.0,,,,,,,,,
CCOC1=CC(=O)/C(=C2\NNC=C2c2ccc(OC)c(OC)c2)C=C1,CID5389724,,,,,,,,0.0,,,,,,,,,
C=C(C)COC1=CC(=O)/C(=C2\NNC=C2c2ccccc2)C=C1,CID5423611,,,,,,0.0,,,,,,,,,,,
C=C(C)COC1=CC(=O)/C(=C2/NNC=C2c2ccc(OC)c(OC)c2)C=C1,CID5389913,,0.0,,,,,,0.0,,,,,,,,,
COc1cccc(NC(=O)C2CCCN2C(=O)OCc2ccccc2)c1,CID3244653,0.0,0.0,,,,,,,,0.0,,,,,,,0.0
COc1cc(NC(=O)C2CCCN2C(=O)OCc2ccccc2)cc(OC)c1,CID3245197,0.0,,,,0.0,,,,,,,,,,0.0,,
Cc1ccc(C)c(NC(=O)C2CC(O)CN2C(=O)OCc2ccccc2)c1,CID2876117,,,,0.0,,,,,,0.0,,,,,,,
CCOc1ccccc1NC(=O)C1CCCN1C(=O)OCc1ccccc1,CID3243825,0.0,,,,0.0,,,0.0,,,,,,,,,
Cc1cccc(NC(=O)C2CC(O)CN2C(=O)OCc2ccccc2)c1,CID3236460,,,,,,,,0.0,,,,,0.0,,,,
COc1ccc(NC(=O)C2CCCN2C(=O)OCc2ccccc2)c(OC)c1,CID3239403,0.0,,0.0,0.0,0.0,,0.0,,,,,,,,,,
COc1ccc(OC)c(NC(=O)C2CCCN2C(=O)OCc2ccccc2)c1,CID3241908,0.0,0.0,,0.0,0.0,,,0.0,,,,,,,,,
O=C(Nc1cccc(O)c1)C1CCCN1C(=O)OCc1ccccc1,CID3243156,0.0,,,,,,,0.0,0.0,,,,,,,,
COc1ccc(C)cc1NC(=O)C1CCCN1C(=O)OCc1ccccc1,CID3236900,0.0,0.0,0.0,0.0,0.0,,0.0,,0.0,0.0,,,,,0.0,,
CCOc1ccc(Cn2c(O)cc(=O)[nH]c2=O)cc1,CID659160,0.0,,,,0.0,,0.0,,,,0.0,,,,,,
COc1ccc(Cn2c(O)cc(=O)[nH]c2=O)cc1,CID659296,,,,,0.0,,,,,,,,,,,,
CNc1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,CID726225,,,,,,,,,,,,0.0,,,,,
CCCOc1ccc(Cn2c(O)cc(=O)[nH]c2=O)cc1,CID659070,0.0,0.0,,0.0,0.0,,0.0,,,,,0.0,,,,,
Cn1c(=O)c(C(=O)CCl)c(N)n(Cc2ccccc2)c1=O,CID2392391,,,,,,,,,,,,,,,0.0,,
CC(=O)NC(=S)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O,CID2100670,,,,,,,,,,0.0,,,,,,0.0,
N#Cc1cn(Cc2ccccc2)c(=O)[nH]c1=O,CID2823137,,,,,,,,,,,,,,0.0,0.0,,
Cc1cn(Cc2ccccc2)c(=O)[nH]c1=O,CID237953,,,,,,,,,,,,0.0,,,,,
Cn1c(=O)cc(N)n(Cc2ccccc2)c1=O,CID1649246,,,,,,,,,,,,,,0.0,,,
O=S(=O)(NCCOCC(F)(F)C(F)F)c1ccc2oc3ccccc3c2c1,CID3236646,,,,,,,,,,,,,,,,,0.0
COc1cc2c(cc1NC(=O)CSCC(=O)O)oc1ccccc12,CID2401504,,,,,,,,,,0.0,,,0.0,,,,
CC(C)CC(=O)Nc1ccc2c(c1)oc1ccccc12,CID2913552,,,,,,,,,,0.0,0.0,,,,,,
O=S(=O)(NCCOCC(F)(F)F)c1ccc2oc3ccccc3c2c1,CID2972762,,,,,,,,,,,,,,,,,0.0
O=C(O)COc1ccc2oc3ccccc3c2c1,CID2106580,,,,,,,,,,,,,,0.0,0.0,,
CC(C)C(=O)Nc1ccc2c(c1)oc1ccccc12,CID3150699,,,,,,,,,,,0.0,0.0,,,,,
CC(=O)NCCOc1ccc2oc3ccccc3c2c1,CID2882920,,0.0,,,,,,,,,0.0,,,0.0,,0.0,
O=[N+]([O-])c1ccc2c(c1)oc1ccccc12,CID72897,,,,,,,,,,,,,,0.0,,,
O=C(O)CCC(=O)Nc1ccc2c(c1)oc1ccccc12,CID2839116,,,0.0,,,,0.0,0.0,,,0.0,,,,,,
CC(=O)Nc1cccc(-c2csc(NCc3ccco3)n2)c1,CID647705,,0.0,,,0.0,,0.0,,,,,,,,,,
CC(=O)Nc1ccc(-c2csc(NCc3ccco3)n2)cc1,CID972496,,,,,,,,,,,0.0,,,,,,
COc1ccc(-c2csc(NCc3ccco3)n2)cc1C,CID886954,0.0,,0.0,,0.0,,,,,,,,,,,,
Oc1ccc(-c2csc(NCc3ccco3)n2)cc1,CID646727,,0.0,,,0.0,,,,,,,,,,,,
CCC(=O)N(Cc1ccco1)c1nc(-c2ccccc2)cs1,CID651338,0.0,,0.0,,,,0.0,0.0,,,0.0,,,0.0,,,
O=C(O)CCC(=O)N(Cc1ccco1)c1nc(-c2ccccc2)cs1,CID650259,,,,,,0.0,0.0,,0.0,,,,,0.0,,0.0,0.0
COc1ccc(-c2csc(NCc3ccco3)n2)cc1,CID652138,,0.0,0.0,,0.0,0.0,,,,,,,,,,,
CCC(=O)N(Cc1ccco1)c1nc(-c2cc(OC)ccc2OC)cs1,CID646386,0.0,,,,,,,,,,0.0,0.0,,0.0,,,
CCC(=O)N(Cc1ccco1)c1nc(-c2ccc(OC)cc2)cs1,CID862712,,,,,,,,,,,0.0,,,,,,
CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1N(C)C,CID663249,,0.0,0.0,0.0,,,,,,,,0.0,,,,,
Cc1cc(NCCO)nc(-n2nc(C)cc2C)n1,CID1871516,,,,,,,,,,0.0,,,,,0.0,,
CCOC(=O)c1cnn(-c2nc(C)cc(C)n2)c1N,CID692270,,0.0,,,,,0.0,0.0,,,0.0,0.0,,,,,
CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1NC,CID663107,,,,0.0,,,0.0,,,,,0.0,,,,,
CC(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1,CID2387118,,,,,,,,,,,,,,,0.0,,
COc1cc(C)nc(-n2nc(C)cc2OC)n1,CID3242,,,,,,,,,,,,,,0.0,,,
CNc1cc(C)nc(-n2nc(C)cc2C)n1,CID657722,,0.0,,0.0,,,,0.0,,,0.0,0.0,0.0,0.0,,,0.0
CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1N(CC)CC,CID662721,,,0.0,,,,,,,,,,0.0,,,,
CCOC(=O)c1cc(C)nn1-c1nc(Cl)cc(OC)n1,CID1235321,,,,,,,,,,,,,,,0.0,,
Cc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)noc3C)C2)cc1F,CID3242506,,,,,,,,,,,,,0.0,,,,
Cc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)noc3C)C2)c(C)c1,CID3244014,,,0.0,0.0,,0.0,,,,,,,,,,,
CCc1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2c(C)noc2C)C1,CID3238876,,0.0,,,,,,0.0,,,,,,,,,0.0
Cc1ccc(Cl)cc1NC(=O)C1CCCN(S(=O)(=O)c2c(C)noc2C)C1,CID3237633,0.0,,,,0.0,,,,,,,0.0,,,,,0.0
CCOc1ccc(OCC)c(NC(=O)C2CCCN(S(=O)(=O)c3c(C)noc3C)C2)c1,CID3238457,,,0.0,,0.0,0.0,,,,,,,,,,,0.0
Cc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)noc3/C=C/N(C)C)C2)cc1F,CID5771318,,,,,,,,,,0.0,,,,,,,0.0
Cc1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2c(C)noc2C)C1,CID3245933,,0.0,0.0,0.0,,,,,,,,,,,,,
COc1ccc(C)cc1NC(=O)C1CCCN(S(=O)(=O)c2c(C)noc2/C=C/N(C)C)C1,CID5309016,,,0.0,,,,,,,,0.0,,,,,,
COc1ccc(OC)c(NC(=O)C2CCCN(S(=O)(=O)c3c(C)noc3C)C2)c1,CID3236731,,,,,0.0,,,0.0,,,,,,,,0.0,0.0
O=C1c2ccccc2C(=O)N1CNc1ccccc1,CID241616,,,,0.0,0.0,,0.0,0.0,0.0,0.0,,0.0,,,,0.0,
CC(=O)N(CN1C(=O)c2ccccc2C1=O)c1ccccc1,CID653142,,,0.0,,,0.0,,,,0.0,0.0,,0.0,,0.0,,
COc1ccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)C(C)C)cc1,CID1053064,,,,,,,0.0,,0.0,,,,,0.0,,,
CC(=O)N(CN1C(=O)c2ccccc2C1=O)c1cccc(C)c1,CID646256,0.0,,,0.0,,0.0,,0.0,,,,,0.0,,0.0,,
COC(=O)c1cccc(NCN2C(=O)c3ccccc3C2=O)c1,CID682177,,0.0,0.0,,,,0.0,,0.0,,,,,,0.0,0.0,
CCOC(=O)CCC(NC(=O)c1ccc(NCN2C(=O)c3ccccc3C2=O)cc1)C(=O)OCC,CID2885377,,,,,,0.0,,,0.0,,,,,,,,
Cc1cccc(NCN2C(=O)c3ccccc3C2=O)c1,CID348061,,,,,,,,,0.0,0.0,0.0,,,,,,
Cc1ccc(NCN2C(=O)c3ccccc3C2=O)c(C)c1,CID245839,,,,,0.0,0.0,0.0,,,0.0,,,,0.0,,0.0,
CC(=O)N(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1cccc(C(=O)O)c1,CID4350063,,,,,,,,,,,,,,,0.0,,
CC(=O)Nc1ccc(NC(=O)CSc2nnc(C3CC3)n2C)cc1,CID646379,,0.0,0.0,0.0,,,,,,0.0,,0.0,0.0,,,,
Cc1cc(NC(=O)CSc2nnc(C3CC3)n2N)c([N+](=O)[O-])cc1C,CID3880731,,,,,,,,,,,,,,,0.0,,
CCn1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nnc1C1CC1,CID650350,,0.0,,0.0,,,,,,0.0,0.0,,,,,,
COc1ccc(NC(=O)CSc2nnc(C3CC3)n2N)cc1,CID2601844,,0.0,,,,,0.0,,,,0.0,,,,,0.0,
CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1C1CC1,CID713065,0.0,,,,0.0,,,,,,0.0,,,,,,0.0
CCOC(=O)c1ccc(NC(=O)CSc2nnc(C3CC3)n2C)cc1,CID3215009,,,,,,,,,0.0,,0.0,,,,0.0,,
CCOC(=O)c1ccc(NC(=O)CSc2nnc(C3CC3)n2CC)cc1,CID1457517,,,,,,,,,0.0,,,,,,,,
CCOc1ccc(NC(=O)CSc2nnc(C3CC3)n2N)cc1,CID2601922,,0.0,,,,,,,,,,,,,,0.0,
CCC(=O)Nc1cccc(NC(=O)CSc2nnc(C3CC3)n2C)c1,CID651850,,,,,,0.0,,,,0.0,,,,,0.0,,0.0
CCOc1ccc(N(CC(=O)OC)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)cc1,CID4126010,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(N(CC)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)cc1,CID9551360,,,,,,0.0,,,,0.0,,,,,,,
COc1cccc(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)c1,CID3239548,,0.0,0.0,,,,,,,,,,,,,,0.0
COC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C,CID3240107,,,,0.0,,,0.0,,,,,,,,,,0.0
Cc1cccc(N(C)S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1,CID3238453,,0.0,,0.0,,,,,0.0,,,,,,,0.0,
CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C,CID9550313,,,,,,,,,,,,,,0.0,,,
CCn1c(=O)c(=O)n(CC)c2cc(S(=O)(=O)Nc3cccc(OC)c3)ccc21,CID3245256,,,,,,,,0.0,,,,0.0,,,,,
CCOc1ccc(OCC)c(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)c1,CID3237646,,,,,,,,,,0.0,,,0.0,,,0.0,0.0
CCN(c1cccc(C)c1)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1,CID3245226,,0.0,,,,,,0.0,,,,,0.0,,0.0,0.0,
COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccccc1,CID4177957,,,,,,,,0.0,,,,,,,,,
COC(=O)c1cn(C(=O)c2ccc(C)cc2C)c2ccccc12,CID925279,,,,,,,,,,,,,,0.0,,,
COC(=O)c1cn(C(=O)c2ccc(C)c(C)c2)c2ccccc12,CID887413,,,,,,,,,,,,,,0.0,,,
COC(=O)c1cn(C(=O)c2ccccc2)c2ccccc12,CID706990,,,,,,,,,,,,,,0.0,0.0,,
O=C(c1ccccc1)n1ccc2ccccc21,CID200283,,,,,,,0.0,,0.0,,,,,,,0.0,
COC(=O)c1cn(C(=O)c2ccc(C)cc2)c2ccccc12,CID1154162,,,,,,,,,,,,,,0.0,0.0,,
COC(=O)c1cn(C(=O)c2ccccc2Cl)c2ccccc12,CID892255,,,,,,,,,,,,,,0.0,,,
COc1ccc2c(c1)c(CC(=O)OCC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1,CID1981,,,,,,,,,,,,,0.0,,,,
COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1,CID3715,,,0.0,0.0,,,,,,,,,,0.0,,0.0,0.0
Cc1[nH]c(SC(C)C)nc(=O)c1Cc1ccccc1,CID697214,,0.0,0.0,0.0,0.0,,0.0,,,,,,,,,,0.0
Cc1[nH]c(SCC(C)C)nc(=O)c1Cc1ccccc1,CID654047,,,0.0,,0.0,0.0,0.0,,,,,,,,,,
CCOCc1[nH]c(N)nc(=O)c1Cc1ccc(OC(C)C)cc1,CID659297,0.0,0.0,,,,,0.0,,,,,,,,,0.0,
CSc1nc(=O)c(Cc2ccccc2)c(C)[nH]1,CID1367274,,,,,,,,,,,,,,,0.0,,
CC(=O)Nc1nc(=O)c(Cc2ccccc2)c(C)[nH]1,CID844237,,0.0,,,,,,,,,,,,,0.0,,
Cc1nc(=O)c(Cc2ccccc2Cl)c(C)[nH]1,CID899617,,,,,,,,,,,,,,0.0,,,
Cc1[nH]c(SCC(N)=O)nc(=O)c1Cc1ccc(OC(C)C)cc1,CID661172,,0.0,,,0.0,0.0,0.0,,,,,,,0.0,,,
COc1ccc(Cc2c(O)n(C(C)=O)c(SC)nc2=O)cc1,CID659635,,,,,,,0.0,0.0,,,0.0,,0.0,,,0.0,0.0
C=C(C)CSc1nc(=O)c(Cc2ccccc2)c(C)[nH]1,CID797691,,0.0,,0.0,0.0,,0.0,0.0,,,,0.0,0.0,,,,0.0
CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccccc1C,CID872379,,,,,,,,,0.0,0.0,,0.0,,,,,
CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccccc1,CID692663,0.0,,,,,,,0.0,0.0,,,,,,,,
CC(C)(C)NC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccccc1,CID1356784,,,,,,0.0,,,,,0.0,0.0,,,,,
Cc1cc(NC(=O)c2ccccc2)n(-c2ccccc2)n1,CID732509,,,,,,,,,,,,,,,0.0,,
Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n(-c2ccccc2)n1,CID2337502,,,,,,,,,,,,,,0.0,,,
CCN(CC)C(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccccc1F,CID1350803,,,,,,,,,,,,0.0,,,,,
Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)n(-c2ccccc2)n1,CID732505,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccc(C)cc1,CID719913,,,,,,,,,0.0,,,0.0,,,,,
CCN(CC)C(=O)c1cnn(-c2ccccc2)c1NC(=O)c1cccc(F)c1,CID2274983,,,,,,,,,,,,0.0,,,,,
Cc1ccccc1Cn1nnc(-c2cccc(C(=O)O)c2)n1,CID972727,,,0.0,0.0,,,,,,,,,,,0.0,,
CN(C)c1ccc(-c2nnn(Cc3ccccc3Br)n2)cc1,CID648589,0.0,,,,,,0.0,,0.0,,,,,,,0.0,
O=C(O)COc1ccc(-c2nnn(Cc3ccccc3F)n2)cc1,CID935255,,,,,,,,0.0,,,,,,,,,
O=C(O)c1cccc(-c2nnn(Cc3ccccc3)n2)c1,CID4770985,,,,,,,,,,,,0.0,,,,,
O=C(O)c1cccc(-c2nnn(Cc3ccccc3Cl)n2)c1,CID4918195,,,,,,,,,,0.0,,,,,,,
COc1ccc(-c2nnn(Cc3ccccc3F)n2)cc1,CID573142,,,,,,,,,,0.0,,0.0,,0.0,,,
N#Cc1cccc(Cn2nnc(-c3ccccc3)n2)c1,CID886657,,0.0,0.0,,,,,,,,,,0.0,,,,
CSc1ccc(-c2nnn(Cc3ccc(Br)cc3)n2)cc1,CID1293615,,,,,,,,,0.0,,0.0,,,0.0,,,
c1ccc(Cn2nnc(-c3ccccc3)n2)cc1,CID285167,,,,,,,,,,,,0.0,,,,,
CCOC(=O)Cc1csc(NC(=O)/C=C\c2ccccc2)n1,CID1556124,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1sc(NC(=O)/C=C/c2c(F)cccc2Cl)nc1C,CID1291022,,,,,,,,,,,,,,0.0,,,
CCOC(=O)Cc1csc(NC(=O)/C=C\c2ccccc2Cl)n1,CID1556125,,,,,,,,,,,,,,,0.0,,
Cc1nc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)sc1C(=O)N(C)C,CID1290276,,,,,,,,,,,,,,,0.0,,
COC(=O)c1sc(NC(=O)/C=C/c2ccccc2Cl)nc1C,CID886106,,,,,,,,,,,,,,0.0,,,
Cc1nc(NC(=O)/C=C/c2ccc(F)cc2)sc1C(=O)N(C)C,CID844544,,,,,,,,,,,,,,,0.0,,
COC(=O)c1sc(NC(=O)/C=C/c2ccc(C)cc2)nc1C,CID896151,,,,,,,,,,,,,,0.0,,,
C/C(=C\C(=O)Nc1nccs1)c1ccccc1,CID2191773,,0.0,,,0.0,,,0.0,,,0.0,,0.0,0.0,0.0,,0.0
COc1ccc(/C=C/C(=O)Nc2nc(C)c(C(=O)N(C)C)s2)cc1OC,CID1222836,,,,,,,,,,,,,,,0.0,,
Cc1ccc2nc(SCc3ccc(Cl)cc3)nc(C)c2c1,CID711741,,,,,,0.0,,,,,,,,,,,
COc1ccc2nc(SCc3ccccc3C)nc(C)c2c1,CID893634,,,,,,,,,,,,,,0.0,,,
Cc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)nc(C)c2c1,CID695234,,,,,,,,,,,,,,0.0,0.0,,
Cc1cc2nc(SCc3ccccc3)nc(C)c2cc1C,CID750428,,,,,,0.0,,,,,,,,,,,
CCOc1ccc2nc(SCc3cccc(C)c3)nc(C)c2c1,CID943371,,,,,,,,,,,,,,0.0,,,
Cc1ccc2nc(SCc3cccc([N+](=O)[O-])c3)nc(C)c2c1,CID884699,,,,,,,,,,,,,,0.0,,,
COc1ccc2nc(SCc3ccccc3)nc(C)c2c1,CID897291,,,,,,,,,,,,,,,0.0,,
COc1ccc2nc(SCc3cccc(C)c3)nc(C)c2c1,CID896205,,,,,,,,,,,,,,0.0,,,
CCOc1ccc2nc(SCc3ccc(Cl)cc3)nc(C)c2c1,CID873658,,,,,,0.0,,,,,,,,,,,
C=CCn1c(COC)nnc1SCC(=O)c1ccc(F)cc1,CID1301041,,,,,,,,,,0.0,,,,,,0.0,
CCSCc1nnc(SCC(=O)c2ccc(OC)cc2)n1C,CID2232918,,0.0,0.0,0.0,0.0,,0.0,,,0.0,,0.0,0.0,0.0,,,
COCCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1C(C)C,CID649547,0.0,0.0,,0.0,0.0,,,,,0.0,0.0,0.0,,,0.0,,0.0
COc1cc(C(=O)CSc2nncn2C)cc(OC)c1OC,CID2343342,,,0.0,,,0.0,0.0,0.0,,,,,0.0,,,,0.0
CCCn1c(SCC(=O)c2cc(OC)ccc2OC)nnc1C(C)C,CID654177,,,,,,,0.0,,,,,,0.0,,,,0.0
CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1C(C)C,CID649562,0.0,,,,0.0,0.0,,,,,,,,,,,
CCn1c(SCC(=O)c2cc(OC)ccc2OC)nnc1C(C)C,CID646823,,,,,,,0.0,,,0.0,,,,0.0,,,0.0
COCCn1c(SCC(=O)c2ccc(F)cc2)nnc1C(C)C,CID647840,,,,,,,,,,0.0,,,,,,,
CCn1c(CNC(C)=O)nnc1SCC(=O)c1ccc(Br)cc1,CID1313606,0.0,,,,,,,,0.0,,0.0,,,,,0.0,0.0
CCOC(=O)c1ccc(NC2c3ncccc3C(=O)N2Cc2ccc(F)cc2)cc1,CID3242059,,,,,,0.0,,0.0,,0.0,,,,,,,
COc1ccc(CN2C(=O)c3cccnc3C2Nc2cc(Cl)ccc2OC)cc1,CID3243170,0.0,,0.0,,0.0,,0.0,,,,,,,,,,0.0
COc1ccc(NC2c3ncccc3C(=O)N2Cc2ccccc2)c(OC)c1,CID3241967,0.0,,,,0.0,,,,,0.0,,,,,,,0.0
CCN(CC)S(=O)(=O)c1ccc(NC2c3ncccc3C(=O)N2Cc2ccccc2)cc1,CID3241332,0.0,,0.0,,,,,0.0,,,,,,,,0.0,0.0
COc1ccc(CN2C(=O)c3cccnc3C2Nc2cc(Cl)c(OC)cc2OC)cc1,CID3238999,0.0,,,0.0,,,,,,,,,,,,,0.0
COC(=O)c1cc(NC2c3ncccc3C(=O)N2Cc2ccccc2)cc(C(=O)OC)c1,CID3243435,,,0.0,,0.0,,,0.0,,,,,,,0.0,,
COc1ccc(CN2C(=O)c3cccnc3C2Nc2ccc(OC)c(Cl)c2)cc1,CID3240050,0.0,0.0,0.0,,0.0,0.0,,,,,,,,,0.0,,0.0
CC(=O)c1ccc(NC2c3ncccc3C(=O)N2Cc2ccc(F)cc2)cc1,CID3243151,,0.0,,,,0.0,,,,,,,,,,,
Cc1ccc(NC2c3ncccc3C(=O)N2Cc2ccc(F)cc2)cc1,CID3245597,,,,,,0.0,,,,,,,,,,,
O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCCCC1,CID889475,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C1CCN(C(=O)/C=C/c2ccc(OC)cc2)CC1,CID886956,,,,,,0.0,,,,,,,,,0.0,,
CCOC(=O)C1CCN(C(=O)/C(C)=C\c2ccccc2)CC1,CID2162758,,,,,,,,,,,,,,0.0,,,
CC(C)(C)c1ccc(/C=C/C(=O)N2CCCCC2)cc1,CID874473,,,,,,,,,,,,,,,0.0,,
CCOC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1,CID802440,,,,,,,,,,,,,,0.0,0.0,,
COC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1,CID884058,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C1CCCN(C(=O)/C=C/c2ccc(Cl)cc2)C1,CID5737579,,,,,,,,,,,,,,,0.0,,
COC(=O)C1CCN(C(=O)/C=C/c2ccc(OC)cc2)CC1,CID2162384,,,,,,,,,0.0,0.0,0.0,,,,0.0,,
CCOC(=O)C1CCN(C(=O)/C=C/c2ccccc2OC)CC1,CID892852,,,,,,,,,0.0,,0.0,,,,,,
CCc1ccc(NC(=O)CSc2nnc(CNC(=O)c3c(F)cccc3Cl)o2)cc1,CID3242831,,0.0,,,0.0,,,,,,,,,,,,
COc1cc(C(=O)NCc2nnc(SCC(=O)Nc3cc(C)cc(C)c3)o2)cc(OC)c1OC,CID3240656,,,,,0.0,,,,0.0,,0.0,,,0.0,,,
CCOC(=O)c1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3F)o2)cc1,CID3235962,,,,,,,,0.0,0.0,,,,0.0,,,,
CCOC(=O)c1ccc(NC(=O)CSc2nnc(CNC(=O)c3c(F)cccc3Cl)o2)cc1,CID3238608,,,0.0,,0.0,,,,0.0,,,0.0,0.0,,,,
Cc1ccc(NC(=O)CSc2nnc(CNC(=O)c3c(F)cccc3Cl)o2)cc1,CID3240808,,0.0,0.0,,0.0,,,,0.0,,0.0,0.0,,,,,
COc1cc(C(=O)NCc2nnc(SCC(=O)Nc3cccc(C)c3)o2)cc(OC)c1OC,CID3238646,,,,,0.0,,,0.0,0.0,,0.0,,0.0,,,,
COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3cc(C)cc(C)c3)o2)cc1OC,CID3237014,,,0.0,,0.0,,,,0.0,,0.0,,0.0,,,0.0,0.0
O=C(CSc1nnc(CNC(=O)c2c(F)cccc2Cl)o1)Nc1ccccc1,CID3236496,,,0.0,,0.0,,,,0.0,,0.0,0.0,,,,,0.0
COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)o2)cc1OC,CID3236760,,,,,0.0,,,0.0,,0.0,,,0.0,,,0.0,0.0
CCOc1ccc(N(CC(=O)NCc2ccco2)S(C)(=O)=O)cc1,CID1107794,,,,,,,,0.0,,,,,,,,0.0,
CCOc1ccc(N(C(C)C(=O)NCc2ccco2)S(C)(=O)=O)cc1,CID2912505,,,,,,,,,,,0.0,,,,,,
COc1ccc(N(CC(=O)NCc2ccco2)S(C)(=O)=O)cc1,CID647122,,0.0,0.0,0.0,,,0.0,,,,,,0.0,,,0.0,0.0
COc1ccc(N(C(C)C(=O)NCc2ccco2)S(C)(=O)=O)cc1,CID653816,,,,,,0.0,,0.0,,0.0,,,,,,0.0,
CS(=O)(=O)N(CC(=O)NCc1ccco1)c1cc(C(F)(F)F)ccc1Cl,CID1084907,,,,,,,,0.0,,0.0,,,,,,,0.0
COc1ccc(N(CC(=O)NCc2ccco2)S(C)(=O)=O)cc1OC,CID1137207,,,,,,,,,,,,,,0.0,,,
CS(=O)(=O)N(CC(=O)NCc1ccco1)c1ccc(Cl)c(C(F)(F)F)c1,CID1137883,,,,,,,0.0,,,,,,,,,,0.0
CS(=O)(=O)N(CC(=O)NCc1ccco1)c1ccccc1Cl,CID808265,,,,,,,,,,,,,,0.0,,,
COc1ccc(N(CC(=O)NCc2ccco2)S(C)(=O)=O)cc1Cl,CID1148854,,,,,,,,,,0.0,,,0.0,0.0,,,0.0
Cc1ccc2nc(NC(=O)CN(C)S(=O)(=O)c3ccc(Br)s3)sc2c1,CID3240087,,,,,0.0,,,,0.0,,,,,,,,
Cc1ccc2nc(NC(=O)CNS(=O)(=O)c3ccc(Br)s3)sc2c1,CID3237470,,,,,0.0,,,,0.0,,,,,,,,
Cc1cccc2sc(NC(=O)CN(C)S(=O)(=O)c3ccc(Br)s3)nc12,CID3243774,,,,,0.0,,,,0.0,,,,,,,,
COc1ccc2nc(NC(=O)C(NS(=O)(=O)c3cccs3)C(C)C)sc2c1,CID3243878,,,0.0,,0.0,,,,,,,,,,,,
COc1ccc2nc(NC(=O)CNS(=O)(=O)c3cccs3)sc2c1,CID6621193,,,,,,,,,0.0,,,,,,,,
CCOc1ccc2nc(NC(=O)C(NS(=O)(=O)c3cccs3)C(C)C)sc2c1,CID3244457,,,,,0.0,,,,,0.0,,,,,,,
CCOc1ccc2nc(NC(=O)C(CCSC)NS(=O)(=O)c3cccs3)sc2c1,CID3240180,,,,,0.0,,,,,,,,,,,,
Cc1cccc2sc(NC(=O)CNS(=O)(=O)c3ccc(Br)s3)nc12,CID3238170,,,,,0.0,,,,0.0,,,,,,,,
Cc1cccc2sc(NC(=O)CN(C)S(=O)(=O)c3cccs3)nc12,CID3238093,,,0.0,,0.0,,,,,,,,,,,,
NS(=O)(=O)c1ccc(CCNC(=O)c2cccnc2)cc1,CID1246556,,0.0,,0.0,,,,,,,,0.0,,,,0.0,
O=C(NCCc1ccc(Cl)cc1)c1cccnc1,CID571790,,,,,,,,,,,0.0,,,,,,
O=C(NC(Cc1ccccc1)C(=O)O)c1cccnc1,CID5307679,,,,,,0.0,,0.0,,,,,,,,,
NS(=O)(=O)c1ccc(CCNC(=O)c2cncc(Br)c2)cc1,CID2090693,0.0,,,,,,0.0,,0.0,,0.0,0.0,,0.0,,0.0,
COc1ccc(CCNC(=O)c2cccnc2)cc1,CID790423,,,,,,,,,,,,0.0,,,,,
COc1ncccc1C(=O)NCC(CC(=O)O)c1ccccc1,CID653713,,,0.0,,,,0.0,,,,,,,,,,
O=C(NCCc1cccc(Cl)c1)c1cccnc1,CID737714,,0.0,0.0,,,,0.0,0.0,,,,,,,0.0,0.0,
O=C(NCCc1ccccc1)c1cccnc1,CID668779,,,,,,0.0,,,,,,0.0,,,,,
COc1ccc(CCNC(=O)c2cccnc2)cc1OC,CID2168362,,,0.0,,0.0,,,,,0.0,,0.0,0.0,,,,
COc1ccc(N(CC(=O)N2CCCC2)S(=O)(=O)c2ccccc2)cc1Cl,CID999505,,,,,,0.0,,,,,,,,,,,
COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCCC1)c1ccccc1,CID1251929,,,,,0.0,,,,,0.0,,,0.0,,,0.0,
Cc1cccc(N(CC(=O)N2CCCC2)S(=O)(=O)c2ccccc2)c1,CID648839,0.0,,0.0,0.0,,,0.0,,,0.0,0.0,,0.0,0.0,,,0.0
CCOc1ccc(N(CC(=O)N2CCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1,CID1120619,,,,,,0.0,,,,,,,,,,,
COc1ccc(OC)c(N(CC(=O)N2CCCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1,CID982407,,,,,0.0,,,,,0.0,,,,,,0.0,
CCOc1ccc(N(CC(=O)N2CCCC2)S(=O)(=O)c2ccc(SC)cc2)cc1,CID1076824,,,,,,0.0,,,,,,,,,,,
COc1ccc(N(CC(=O)N2CCCC2)S(=O)(=O)c2ccc(C)cc2)cc1OC,CID1120606,,,,,,0.0,,,,,,,,,,,
Cc1cccc(N(CC(=O)N2CCCC2)S(=O)(=O)c2ccccc2)c1C,CID1334488,0.0,,,,,,,,,,,,,,,,0.0
CCOc1ccccc1N(CC(=O)N1CCCC1)S(=O)(=O)c1ccccc1,CID1120539,,,,,,0.0,,,,,,,,,,,
CCOC(=O)Cn1nc(C)c(-c2ccccc2)c1N,CID646030,,,0.0,,,0.0,0.0,,,,,,,,,0.0,
COC(=O)c1[nH]nc(C(=O)OC(C)(C)C)c1-c1ccccc1,CID827533,,,,,,,,,,,,,,,0.0,,
COc1cc(-c2cn[nH]c2N)cc(OC)c1OC,CID970677,,,,,,,,,0.0,,,0.0,,,,,
CCOC(=O)Cn1ncc(-c2ccccc2)c1N,CID647535,,0.0,,,,,,,,,,,,0.0,,,
CCOc1ccc(-c2cn[nH]c2N)cc1,CID970496,,,,,,,,,,,,0.0,,,,,
COc1ccccc1-c1cn(C(C)(C)C)nc1C,CID1474486,,,,,,,,,,,,,,,0.0,,
COc1ccc(-c2cn[nH]c2N)cc1OC,CID737152,,,,,,,,,,,0.0,0.0,,,,,
COc1ccc(-c2cn[nH]c2N)cc1,CID2766938,,,,,,,,,,,,0.0,,,,,
COc1ccc(-c2cn[nH]c2N)c(OC)c1,CID972218,,0.0,,,,,,0.0,0.0,,,,0.0,,,0.0,
COc1ccc(OC)c(-c2cc(C(=O)N3CCN(c4ccccc4)CC3)no2)c1,CID5309942,,0.0,0.0,,,,,,,0.0,,,,,,,
COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)c(Cl)c3)on2)CC1,CID3243050,0.0,,,,,,,,,,,,,,,,0.0
COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(C)cc3)on2)CC1,CID1093786,0.0,,,,,,,,,,,,0.0,0.0,,,
COc1ccccc1N1CCN(C(=O)c2cc(-c3cccc(Cl)c3)on2)CC1,CID3242202,0.0,,0.0,,,,,,0.0,,,,,,,0.0,0.0
COc1ccccc1-c1cc(C(=O)N2CCN(c3ccccc3OC)CC2)no1,CID3237690,0.0,,,0.0,,,,0.0,0.0,0.0,,0.0,0.0,,,,
COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)CC1,CID3245625,0.0,0.0,,,,,,,,,,,,,,0.0,
O=C(c1cc(-c2ccc(Cl)c(Cl)c2)on1)N1CCN(c2ccccc2)CC1,CID3244752,0.0,,0.0,,,,,,,,,,,,,,
COc1ccccc1-c1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)no1,CID3245614,0.0,0.0,,,,0.0,,,,,,,,0.0,,,0.0
COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Br)cc3)on2)CC1,CID5307350,0.0,,,,,,,,,,,,,,,0.0,
CSc1nnc(Cn2c(=O)sc3ccccc32)n1C,CID5309387,0.0,0.0,,,,,,,,,,,,,,,
CCSc1nnc(Cn2c(=O)sc3ccccc32)n1C,CID5309570,0.0,,,0.0,,,,,,,,,,,,,
C=CCSc1nnc(Cn2c(=O)sc3ccccc32)n1C,CID5308628,0.0,0.0,,0.0,,,,,,0.0,,,,,,,
CCCSc1nnc(Cn2c(=O)sc3ccccc32)n1C,CID5309661,0.0,,,,,,,,,,,,0.0,,,,
Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(N)=O,CID5307434,0.0,,,,,,,,,,,,,,,0.0,
CC(C)CCSc1nnc(Cn2c(=O)sc3ccccc32)n1C,CID5309842,,,,,,,,,,,0.0,,,,,,
CCOC(=O)CSc1nnc(Cn2c(=O)sc3ccccc32)n1C,CID5307201,0.0,,0.0,,,,0.0,,,,,,,,,,
CCOC(=O)CNC(=O)CSc1nnc(Cn2c(=O)sc3ccccc32)n1C,CID5307844,,0.0,,0.0,,,,,,,,,0.0,,,0.0,0.0
CCOC(=O)CC(=O)CSc1nnc(Cn2c(=O)sc3ccccc32)n1C,CID3241363,0.0,,,,0.0,0.0,,,,0.0,0.0,,,,,,
COc1ccc2c(c1OC)C(=O)N(c1cccc(C(F)(F)F)c1)C2,CID659828,,,,,,,,,,,,,,,,,0.0
CC(C(=O)O)c1ccc(N2Cc3ccccc3C2=O)cc1,CID68700,,,,,,,,,,,,,,,0.0,,
COc1ccc(N2Cc3cccc(C(=O)O)c3C2=O)cc1,CID5309875,,,,,,1.0,,,,,,,,,,,0.0
CCOc1ccc(N2C(=O)c3ccccc3C2O)cc1,CID5309890,,,,0.0,,0.0,,0.0,,,,,,,,,
O=C1c2ccccc2C(O)N1c1ccc(Cl)cc1,CID5309283,0.0,,,,,,,,,,,,,,,0.0,
C=CCC1c2cccc(C(=O)OC)c2C(=O)N1c1ccccc1,CID5100549,,,,,,,,,,0.0,,,,,,,
C=CCC1c2cccc(C(=O)O)c2C(=O)N1c1ccc(F)cc1,CID2941252,,,,,,,,,,0.0,,,,,,,0.0
C=CCC1c2cccc(C(=O)O)c2C(=O)N1c1cccc(C)c1,CID2942731,,,,,,,,,,,,0.0,,,,,
COc1ccc2c(c1OC)C(=O)N(c1cccc(C)c1)C2,CID752122,,,,0.0,,,,,0.0,,,,0.0,,,0.0,
O=C1C=C(N(CCO)CCO)C2(CCCCC2)O1,CID684344,,,,0.0,0.0,,,0.0,,0.0,,,0.0,,,,
CN(C)CCCNC1=CC(=O)OC12CCCCC2,CID1909001,,,,,,,,,,0.0,,,,0.0,,,
CCC(C)NC(=O)C1=C(C)C(=O)OC12CCC(C)CC2,CID5309811,0.0,,,,,,,0.0,,,,,,,,,
CC1=C(C(=O)NCCCOC(C)C)C2(CCC(C)CC2)OC1=O,CID5308307,,,,,,,,,,,0.0,,,,,,
COC1=CC(=O)OC12CCCCC2,CID581148,,,,,,,,,,0.0,,,,,,0.0,
CCCNC(=O)C1=C(C)C(=O)OC12CCC(C)CC2,CID5309195,,,,,,,,0.0,,,,,,,,,
CCN(CC)C1=CC(=O)OC12CCCCC2,CID683816,,,,,,0.0,,,,,0.0,,,,,0.0,
CC1=C(C(=O)NC(C)C)C2(CCC(C)CC2)OC1=O,CID5309002,,,,,,,,,,,,,,,,0.0,
CC(C)(C)NC1=CC(=O)OC12CCCCC2,CID684435,,,,,,,0.0,0.0,,0.0,0.0,,,,0.0,,
COC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1c(C)noc1C,CID3240719,,,,,0.0,,,,,,,,,,,0.0,
CCCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1c(C)noc1C,CID3244405,,,0.0,,,,,,,,,,,,,,0.0
Cc1cc(C)cc(N(CC(=O)O)S(=O)(=O)c2c(C)noc2C)c1,CID4110622,,,,,,,,,,0.0,,,,,,,
Cc1noc(C)c1S(=O)(=O)Nc1ccc(C(=O)O)cc1,CID3238195,,,0.0,,0.0,,,,,,,0.0,,,,,
CCc1ccc(N(CC(=O)O)S(=O)(=O)c2c(C)noc2C)cc1,CID3580044,,,,0.0,,,,,,,,,,,,,
CC(=O)c1cccc(NS(=O)(=O)c2c(C)noc2C)c1,CID3245061,,,,,0.0,,,,,,,,,,,0.0,
CCOc1ccc(N(CC(=O)OC)S(=O)(=O)c2c(C)noc2C)cc1,CID4121115,,0.0,,,,,,0.0,,,,,,,,0.0,
CCOc1ccccc1NS(=O)(=O)c1c(C)noc1C,CID3241001,,0.0,,0.0,,,,,,,,,,,,0.0,
CCOc1ccc(N(CC(=O)NC(C)CC)S(=O)(=O)c2c(C)noc2C)cc1,CID5308324,,,0.0,,,,,,,,,,,0.0,,,0.0
CCOC(=O)C(NC(C)=O)(Nc1ccc(S(=O)(=O)Nc2ccncn2)cc1)C(F)(F)F,CID9549663,,,,,,,,,,0.0,,,,,,,
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CCCC(=O)O)cc2)nc(C)n1,CID1293902,,,,0.0,,,,0.0,,,,,0.0,,,,
CCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1,CID1562735,,,,0.0,,,,0.0,,,,,,,,0.0,
CCCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1,CID715689,,,0.0,0.0,,0.0,,,,,,,,,,0.0,0.0
COc1cc(NS(=O)(=O)c2ccc(N)cc2)ncn1,CID5332,,,,,,,,,,,,,0.0,,,,
CCOC(=O)C(NC(C)=O)(Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1)C(F)(F)F,CID3237630,0.0,,,,0.0,,,,,,,,,,,,
COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1,CID5323,,,,0.0,,,,,,,,,,,,,
CCOCc1nc(C)c(Cl)c(NS(=O)(=O)c2ccc(N)cc2)n1,CID564337,,,,,,,,,0.0,0.0,,,0.0,,,0.0,
COc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)CC(C)C)cc2)nc(OC)n1,CID1791757,,,,,,,,,,,,,,,0.0,,
CCOc1ccccc1Nc1nc2ccccc2[nH]1,CID923991,,,,,,,0.0,,,,,0.0,,,,0.0,
CCOc1ccccc1Nc1nc2ccccc2n1C(C)C,CID924026,,,,,,,,,,,,,,,0.0,,
COc1ccccc1Nc1nc2ccccc2[nH]1,CID661107,,,,0.0,,0.0,1.0,,,,,,,,,0.0,0.0
COc1ccccc1Nc1nc2ccccc2n1C,CID829856,,,,,,,0.0,0.0,,,,,0.0,,,0.0,
CCCn1c(Nc2ccccc2)nc2ccccc21,CID920369,,,,,,,,,,0.0,,,,,0.0,,
CCCCn1c(Nc2ccccc2)nc2ccccc21,CID2952781,,,,,,0.0,,,,,,,,,,,
CC(C)n1c(Nc2ccccc2)nc2ccccc21,CID920276,,,,,,,0.0,0.0,,,,,0.0,,0.0,0.0,
CCCn1c(Nc2ccccc2C)nc2ccccc21,CID829853,,,,,,,,,,,,,,,0.0,,
Nn1c(Nc2ccccc2)nc2ccccc21,CID827914,,,,0.0,,,0.0,,,,,,,,,,
Cc1cc(C)c(C)c(OCC(=O)NCc2nc(-c3ccccc3)no2)c1,CID1258379,0.0,,0.0,,,,,,0.0,0.0,,0.0,0.0,,,,
Cc1cc(Br)ccc1OCC(=O)N(Cc1nc(-c2ccccc2)no1)C(C)C,CID2215193,0.0,,,,,,0.0,,0.0,,,,,,,,
CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)COc1ccccc1,CID2987737,0.0,0.0,,,0.0,,,0.0,0.0,,0.0,0.0,0.0,,,,
COc1ccccc1OCC(=O)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(C)C,CID3159108,0.0,0.0,,,,,,,,,,,,,,0.0,
Cc1cc(C)cc(OCC(=O)NCc2nc(-c3ccccc3)no2)c1,CID1251850,0.0,0.0,0.0,,,,0.0,0.0,0.0,,0.0,,,,,,
COc1ccccc1OCC(=O)NCc1nc(-c2ccccc2)no1,CID2228413,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1OCC(=O)N(Cc1nc(-c2ccccc2)no1)C(C)C,CID1249184,0.0,0.0,0.0,0.0,0.0,,0.0,0.0,,,,,0.0,,,,
Cc1cc(OCC(=O)NCc2nc(-c3ccccc3)no2)c(C)cc1Br,CID1255085,,,,,,,,,,,,0.0,,,,0.0,
COc1cccc(OCC(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C(C)C)c1,CID3159104,0.0,,,,,0.0,,,,,,,0.0,,,0.0,
COCCNC(=O)C(c1ccccc1)N(CCOC)C(=O)Cn1nnc2ccccc21,CID645196,,,,,,,0.0,,,,,,,,,0.0,
CCCCN(C(=O)Cn1nnc2ccccc21)C(C(=O)NCCOC)c1ccccc1,CID3212034,,,,,,,,,,0.0,,0.0,,,,,
C=CCN(C(=O)Cn1nnc2ccccc21)C(C(=O)NCCOC)c1ccc(OC)cc1OC,CID645363,,,,,,,,,,,,0.0,,,,,
COCCNC(=O)C(c1ccccc1C)N(CCOC)C(=O)Cn1nnc2ccccc21,CID650887,,,,,,,,,,,,0.0,,,,,
CCCCN(C(=O)Cn1nnc2ccccc21)C(C(=O)NCCOC)c1ccc(OC)cc1,CID654488,0.0,,,,,0.0,,,0.0,,,,0.0,,,,
CCCCN(C(=O)Cn1nnc2ccccc21)C(C(=O)NCCOC)c1ccc(OC)cc1OC,CID648541,,0.0,,,,,,,,,,,,,,,
CCOC(=O)CN(C(=O)Cn1nnc2ccccc21)C(C(=O)NCCOC)c1ccccc1C,CID650015,,,,,,,,,,0.0,,,,,,,
O=C(Cn1nnc2ccccc21)NCc1ccccc1,CID733623,,0.0,,0.0,,,,,,,,0.0,0.0,,,,
CCOC(=O)CN(C(=O)Cn1nnc2ccccc21)C(C(=O)NCCOC)c1ccccc1,CID645875,,,,,,,,,,,0.0,,,,,,0.0
CCn1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cn1,CID1225486,,,,,,,,,,,,,,,0.0,,
CC(=O)N(C)c1ccc(NC(=O)c2cnn(C)c2)cc1,CID573344,,,0.0,,,,,,0.0,,,0.0,0.0,,0.0,,
Cc1c(C(=O)Nc2ccc(C(=O)O)cc2)cnn1C,CID3239547,,0.0,,,,,,0.0,0.0,,,,,,,,
Nc1[nH]ncc1C(=O)Nc1cccc(C(F)(F)F)c1,CID1263586,0.0,,,,,,,,0.0,,,,,,,,
Cc1c(C(=O)Nc2ccc(Br)cc2)cnn1C,CID1225284,,,,,,,,,,,,,,,0.0,,
CCN(CC)c1ccc(NC(=O)c2cnn(CC)c2)cc1,CID3367465,,,,,,0.0,,,,,,,,,,,
CCn1ncc(C(=O)Nc2cccc(Cl)c2)c1C,CID832064,,,,,,,,,,,,,,,0.0,,
Cc1nn(C)cc1C(=O)Nc1ccccc1Br,CID831954,,,,,,,,,,,,,,,0.0,,
Cc1cccc(NC(=O)c2cnn(C)c2)c1C,CID844471,,,,,,,,,,,,,,,0.0,,
CCN1C(=O)C2(C(C#N)=C(N)Oc3n[nH]c(C(C)C)c32)c2ccccc21,CID645269,,,,,,,,0.0,,,,,,,,0.0,
CCCc1[nH]nc2c1C1(C(=O)N(CC(N)=O)c3ccccc31)C(C(=O)OC)=C(N)O2,CID665210,,,,,,,,,,,,,,,,0.0,
CCCc1[nH]nc2c1C1(C(=O)N(C(C)C)c3ccccc31)C(C#N)=C(N)O2,CID664052,,,,,,,,,0.0,,,,,,,0.0,
CCCCc1[nH]nc2c1C1(C(=O)N(CC)c3ccccc31)C(C#N)=C(N)O2,CID664136,,0.0,,,,,,,,,,,,,,,
CCN1C(=O)C2(C(C#N)=C(N)Oc3n[nH]c(COC)c32)c2ccccc21,CID2961926,,,,,,,,,,,,,,,,,0.0
COCc1[nH]nc2c1C1(C(=O)Nc3ccc(F)cc31)C(C#N)=C(N)O2,CID663546,,,0.0,,,,,,,0.0,,,,,,,
C=CCN1C(=O)C2(C(C#N)=C(N)Oc3n[nH]c(CCC)c32)c2ccccc21,CID663784,,0.0,,,,,,,0.0,0.0,,,,,,0.0,
COCc1[nH]nc2c1C1(C(=O)N(C)c3ccccc31)C(C#N)=C(N)O2,CID654535,,,,,,,,,,0.0,0.0,,,,,,
CCCc1[nH]nc2c1C1(C(=O)N(CC)c3ccccc31)C(C#N)=C(N)O2,CID663939,,,,,,,,,0.0,,,,,,,,0.0
CCOC(=O)C(C(=O)Nc1ccc(C)cc1)C1CCCCC1,CID2884924,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC(=O)CC2CCCCC2)cc1OC,CID806931,,,,,,,,,,,0.0,,0.0,,,0.0,
N#Cc1cccc(NC(=O)CC2CCCCC2)c1,CID1121690,,,,0.0,0.0,,0.0,,,0.0,,,0.0,,,0.0,
CCOC(=O)C(C(=O)Nc1cccc(C)c1)C1CCCCC1,CID2836833,,,,,,0.0,,,,,,,,,,,
COc1ccc(N(C)C(=O)CC2(CC(=O)O)CCCCC2)cc1,CID586333,0.0,,,,,,,0.0,,,,,,,,,
COC(=O)c1cc(OC)c(OC)cc1NC(=O)CC1CCCCC1,CID892445,,,0.0,,,,,0.0,,,,,,0.0,0.0,0.0,
CCOC(=O)C(C(=O)Nc1ccccc1C)C1CCCCC1,CID572220,,,,,,0.0,,,,,,,,,,,
CCOC(=O)C(C(=O)Nc1ccccc1)C1CCCCC1,CID2836847,,,0.0,,,0.0,0.0,,,,,,0.0,,,0.0,0.0
N#Cc1ccccc1NC(=O)CC1CCCCC1,CID1121531,,,,,,0.0,,,,,,,,,,,
Brc1ccc(CSc2ncn[nH]2)cc1,CID719022,,,,,,,,,0.0,,,,,0.0,,0.0,0.0
O=C(O)c1ccc(CSc2ncn[nH]2)cc1,CID838554,,,,0.0,,,,0.0,,0.0,,,,,,,
CCCOc1ccc(CSc2ncn[nH]2)cc1,CID1958182,,0.0,,,,,,,,0.0,0.0,,0.0,,0.0,0.0,
CCCCCOc1ccc(CSc2ncn[nH]2)cc1,CID1932147,,,,,,,,,,,0.0,,,,,,
Clc1ccc(CSc2ncn[nH]2)cc1,CID719011,,,,0.0,,,,,,,,,,,,,
O=C(O)c1ccccc1CSc1ncn[nH]1,CID2484019,,,,,,,,,,,,0.0,,,,,
CCOC(=O)C(Sc1ncn[nH]1)c1ccccc1,CID2789683,,0.0,,0.0,,,,,,,0.0,,,,,0.0,
CCCCOc1ccc(CSc2ncn[nH]2)cc1,CID572406,,0.0,0.0,,,,,,,,0.0,,0.0,,,,
Fc1cccc(Cl)c1CSc1ncn[nH]1,CID728266,,,,,,,,,,,,,,,,,0.0
COc1cccc(Oc2nnnn2-c2ccccc2)c1,CID712743,,,,,,,,0.0,,,,,0.0,0.0,0.0,,
NC(=O)c1ccc(-n2nnnc2Oc2ccccc2)cc1,CID1253744,0.0,,,0.0,,,0.0,,,,0.0,,,,0.0,,
Cc1ccc(C(C)C)c(Oc2nnnn2-c2ccccc2)c1,CID1252027,,,0.0,,,,0.0,,,,,,,,,0.0,
COc1ccccc1Oc1nnnn1-c1ccc(C(N)=O)cc1,CID935238,,,,,,,,,,,,,,,0.0,,
Brc1ccc(Oc2nnnn2-c2ccccc2)cc1,CID575909,0.0,,,,,,,,0.0,,,0.0,,,,,
Cc1ccc(C)c(Oc2nnnn2-c2ccccc2)c1,CID2099429,,,0.0,,,,0.0,,,,,0.0,,,0.0,,
C/C=C/c1ccc(Oc2nnnn2-c2ccc(C(=O)O)cc2)c(OC)c1,CID1242030,,,0.0,,,,,,,,,0.0,0.0,,,,
C/C=C/c1ccc(Oc2nnnn2-c2ccc(C(N)=O)cc2)c(OC)c1,CID979756,,0.0,0.0,,,,0.0,,,,,,,,,,
COc1cc(CO)ccc1Oc1nnnn1-c1ccc(C(N)=O)cc1,CID1252336,,,,,,,,,,,0.0,,,0.0,,,
CCCCCC1NC(=O)NC1CCCCCC(=O)O,CID2832720,,,,,,,,,,,,,0.0,,,,
CCCOC(=O)NC1C(NC(=O)OCCC)N(C)C(=O)N1C,CID657588,,,0.0,,,,,0.0,,,,,,,,,
CCCCNC(=O)N(O)C1N(CCCC)C(=O)N(CC(=O)OC)C1(C)C,CID2829469,,,,,,,,,,0.0,,,,,,,
CCCCNC(=O)NC1C(NC(=O)NCCCC)N(C)C(=O)N1C,CID2881566,,,0.0,,,,,,,,,,,,,,
CC1NC(=O)NC1CCCCC(=O)O,CID2837714,,,0.0,,,,,,,0.0,,,0.0,,,,
CNC(=O)N(O)C1N(C)C(=O)N(CC(=O)OC)C1(C)C,CID658537,,0.0,,,,,,,,,,,,,,,
CCN1C(=O)N(C)C(N(O)C(=O)NC)C1(C)C,CID665402,,,,,,,,,0.0,,,0.0,0.0,,0.0,,
CC(=O)OC1C(OC(C)=O)N(C(C)=O)C(=O)N1C(C)=O,CID652321,,,,,,,,0.0,,,,,,,,,
CCCNC(=O)NC1C(NC(=O)NCCC)N(C)C(=O)N1C,CID656368,,0.0,,,,,,,,,,,,,,,
CCCCC(=O)N1CC2(C)CN(C(=O)CCCC)CC(C)(C1)C2=O,CID649912,,,,,,,,,0.0,0.0,,,,,,,
CCCCCC(=O)N1CC2(C)CN(C(=O)CCCCC)CC(C)(C1)C2=O,CID660515,,,,0.0,,,,,,,,,,,,,
CCCNC(=S)N1CC2(C)CN(C(=O)C(=O)OCC)CC(C)(C1)C2=O,CID2880258,,,,,,,,,,,,,,0.0,,,
CC(C)OC(=O)CC12CN(C)CC(CC(=O)OC(C)C)(CN(C)C1)C2=O,CID1212787,,,,,,,,,,,,0.0,,,,,
CCCC(=O)N1CC2(C)CN(C(=O)CCC)CC(CCC)(C1)C2=O,CID1798129,,,0.0,,,,0.0,0.0,,,,,,,,,
CC(=O)N1CC2(C)CN(C(C)=O)CC(C)(C1)C2=O,CID580199,,,0.0,,,,,,,,,,,,,,
CCCCC12CNCC(C)(CNC1)C2=O,CID2214726,,,,0.0,,,0.0,,,,,0.0,,,,0.0,
CC(=O)N1CC2(CC(=O)OC(C)C)CN(C(C)=O)CC(CC(=O)OC(C)C)(C1)C2=O,CID647941,,,,,,,,,,0.0,,,,,,,
CCCC(=O)N1CC2(CCC)CN(C(=O)CCC)CC(CCC)(C1)C2=O,CID647247,,,,,,,,0.0,,,0.0,,,,,,
Cc1[nH]nc2c1C(C(C)C)C(C#N)=C(N)O2,CID666958,,,,0.0,,,,,,,,,,,,0.0,
CC(C)c1[nH]nc2c1C(C(C)C)C(C#N)=C(N)O2,CID655567,,,,,,,,0.0,,,,,,0.0,,,
CCCc1[nH]nc2c1C(C(C)C)C(C#N)=C(N)O2,CID3130946,,,,,,,,,0.0,,0.0,,,,,0.0,
CCCc1[nH]nc2c1C(CCC)C(C#N)=C(N)O2,CID652745,,,,,,,,0.0,,,,,,,,0.0,
CC(C)C1C(C#N)=C(N)Oc2n[nH]c(C(C)(C)C)c21,CID660960,,,,0.0,,,,,,,,,,,,0.0,
CCc1[nH]nc2c1C(C(C)C)C(C#N)=C(N)O2,CID644995,,0.0,,,,,,,,,0.0,,,,,0.0,
CCC(CC)C1C(C#N)=C(N)Oc2n[nH]c(C)c21,CID659330,,,,,,,0.0,,,,,,,,,,
CCCC1C(C#N)=C(N)Oc2n[nH]c(C(C)(C)C)c21,CID660771,,,,,,,,0.0,,,,,,,,0.0,
CCC(C)C1C(C#N)=C(N)Oc2n[nH]c(C)c21,CID3128166,,,,,,,,,,,,,0.0,,,0.0,
Cc1ccc2nc(NCCO)nc(-c3ccccc3)c2c1,CID654777,,0.0,,,,,0.0,0.0,,,,,,,,,
Cc1ccc2nc(NCCCO)nc(-c3ccccc3)c2c1,CID1943824,,,,,,,,,,,,0.0,,,,,
O=[N+]([O-])c1ccc2nc(NCCCO)nc(-c3ccccc3)c2c1,CID1952556,,,,,,,,,,,,,,0.0,,,
CSc1nc(-c2ccccc2)c2cc(Cl)ccc2n1,CID700615,,,,,,,,,,,,,,0.0,,,
N#CCSc1nc(-c2ccccc2)c2cc(Cl)ccc2n1,CID2017190,,,,,,,,,,,,,,,0.0,,
OCCNc1nc(-c2ccccc2)c2ccccc2n1,CID661382,,0.0,,0.0,,,,,,,,0.0,,0.0,,0.0,
CCSc1nc(-c2ccccc2)c2cc(Cl)ccc2n1,CID751838,,,,,,,,,,,,,,0.0,,,
OCCNc1nc(-c2ccccc2)c2cc(Cl)ccc2n1,CID1912855,,,,,,,,,,,,,,,0.0,,
CC(=O)NNc1nc(-c2ccccc2)c2cc(Br)ccc2n1,CID1110084,,,,,,,,,,,,0.0,,0.0,,,
CCOc1cccc(-c2nnc3sc(-c4ccco4)nn23)c1,CID662266,0.0,0.0,0.0,,0.0,,0.0,0.0,,,,,,0.0,,,
Clc1ccccc1-c1nnc2sc(-c3ccc(Br)o3)nn12,CID662159,,,,,,,,,0.0,,0.0,,,,,,
COc1cc(-c2nnc3sc(-c4ccco4)nn23)cc(OC)c1OC,CID666981,0.0,0.0,,,,,,,,,,,,,,0.0,
COc1cccc(-c2nnc3sc(-c4ccco4)nn23)c1,CID662594,0.0,0.0,,0.0,0.0,,,0.0,,,,,,,,,
Clc1ccc(-c2nnc3sc(-c4ccco4)nn23)c(Cl)c1,CID661697,0.0,0.0,,,0.0,,,,,,,,,,,,
Clc1ccccc1-c1nnc2sc(-c3ccco3)nn12,CID662518,0.0,,,0.0,0.0,,,,,,,,,,,,
COc1ccc(-c2nnc3sc(-c4ccco4)nn23)cc1OC,CID662318,0.0,0.0,,,0.0,,,,,,,,,0.0,,0.0,
COc1ccc(-c2nnc3sc(-c4ccc(Br)o4)nn23)cc1OC,CID661663,0.0,,,,,,0.0,,,,0.0,,,,,0.0,0.0
Clc1ccc(-c2nnc3sc(-c4ccc(Br)o4)nn23)cc1,CID665202,,,,,,,,,,,,,,,,0.0,
Cc1ccc(NC(=S)NCCSc2ccc(Cl)cc2)c(C)c1,CID2171167,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)cc(NC(=S)NCCSc2ccc(Cl)cc2)c1,CID2171245,,,,,,,,,,,,,,0.0,0.0,,
CCc1ccccc1NC(=S)NCCSc1ccc(Cl)cc1,CID3577877,,,,,,,,,,,,,,,0.0,,
Cc1ccc(SCCNC(=S)Nc2ccccc2)cc1,CID2172121,,,,,,,,,0.0,,,,,,,,
Cc1ccc(SCCNC(=S)Nc2cc(C)ccc2C)cc1,CID2171392,,,,,,,,,,0.0,,,,,,,
COc1ccc(NC(=S)NCCSc2ccc(Cl)cc2)c(OC)c1,CID2171190,,,,,,,,,,,,0.0,,0.0,,,
Cc1ccccc1NC(=S)NCCSc1ccc(Cl)cc1,CID3577558,,,,,,,,,,,,,,,0.0,,
Cc1ccc(SCCNC(=S)Nc2cc(C)cc(C)c2)cc1,CID2171396,,,,,,0.0,,,,,,,,,0.0,,
COc1ccc(Cl)cc1NC(=S)NCCSc1ccc(C)cc1,CID1975937,,,,,,,,,,,,,,,0.0,,
CCC(=O)N(c1ccc(C(=O)O)cc1)c1nc(-c2ccc(OC)cc2)c(C)s1,CID1313486,,,,,,,,,,,,,,0.0,,,
NS(=O)(=O)c1ccc(Nc2nc(-c3ccc(O)cc3)cs2)cc1,CID973041,,,0.0,0.0,,,,,,,,,0.0,,,,
NS(=O)(=O)c1ccc(Nc2nc(-c3ccc(O)cc3O)cs2)cc1,CID2175556,,,,,,,,,,0.0,,,,,,,
NS(=O)(=O)c1ccc(Nc2nc(-c3ccc(F)cc3)cs2)cc1,CID973022,,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2csc(Nc3ccccc3)n2)cc1,CID698943,,,,,,0.0,,,,,,,,,,,
COc1ccc(OC)c(Nc2nc(-c3ccc(O)c(O)c3)cs2)c1,CID648607,,,,,1.0,,,,,,,,,,,,
Cc1ccc(Nc2nc(-c3ccc(C)cc3)c(CC(=O)O)s2)cc1,CID956764,,,,,,,,,,,,,,0.0,,,
Oc1ccc(Nc2nc(-c3ccc(O)cc3)cs2)cc1,CID972292,,,,,0.0,,,,,,,,,,,,
CN(c1ccc(O)cc1)c1nc(-c2ccccc2)cs1,CID649391,,0.0,,,0.0,,0.0,,,,,,,,,,
Cc1cc(/C=N/n2cnnc2)c(C)n1-c1cc(Cl)ccc1Cl,CID936637,,,,,,,,,,,,,0.0,,,,
Cc1cc(/C=N/n2cnnc2)c(C)n1-c1ccc(C(=O)O)cc1,CID674245,,,0.0,0.0,,0.0,0.0,,,,,,,,0.0,,
Cc1cc(/C=N/n2cnnc2)c(C)n1-c1cccc(C(=O)O)c1,CID937025,,0.0,0.0,0.0,,,,,,,,,,,,,
COC(=O)c1ccc(-n2c(C)cc(/C=N/n3cnnc3)c2C)cc1,CID878202,,0.0,,,,,,0.0,,,,,,,,,
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/n3cnnc3)c2C)cc1,CID5349403,,,,,,0.0,,,,,,,,,,,
Cc1cc(/C=N/n2cnnc2)c(C)n1-c1ccc(Cl)cc1Cl,CID806451,0.0,,,,,,,,,,,,0.0,,,,
Cc1cc(/C=N/n2cnnc2)c(C)n1-c1ccc(Cl)cc1,CID5349387,,,,,,0.0,,,,,,,,,,,
Cc1cc(/C=N/n2cnnc2)c(C)n1-c1cccc(Cl)c1,CID878970,,,,,,,0.0,,,,,,,,,,
Cc1cccc(-n2c(C)cc(/C=N/n3cnnc3)c2C)c1,CID878889,,,,,,,,,,,,0.0,,,,,
COC(=O)CNC(=O)COC(=O)C(Cc1ccccc1)NC(=O)c1ccco1,CID2999401,,,0.0,0.0,,,,,,,0.0,,,,,,
CC(C)CNC(=O)C(Cc1ccccc1)NC(=O)c1ccco1,CID2453274,,,,,,,,,,,,0.0,,,,,
O=C(NCCc1ccccc1)c1ccc(Br)o1,CID750392,0.0,,,,,,,,0.0,,,0.0,,,,,
O=C(NC(Cc1ccc(O)cc1)C(=O)O)c1ccco1,CID565567,,,,,,,,,,,,,,,0.0,,
COc1ccccc1CCNC(=O)c1ccc(C)o1,CID1245418,,,,,,,,,,0.0,0.0,,0.0,,,0.0,
COc1ccc(CCNC(=O)c2ccco2)cc1,CID721338,,,,,,0.0,,,,,0.0,0.0,,,,0.0,
CCOCCCNC(=O)C(Cc1ccccc1)NC(=O)c1ccco1,CID2956720,0.0,0.0,0.0,,,,0.0,,0.0,,,,0.0,,,,
COc1cc(Br)c(CCNC(=O)c2ccco2)cc1OC,CID2278931,,,,,,,,,,,,,,,0.0,,
O=C(NCCc1ccccc1)c1ccco1,CID744466,,,,,,,,,0.0,,0.0,,,,,,
Cc1nnc(NC(=O)c2ccco2)s1,CID672518,,,,0.0,,,,,,,,0.0,,,,,
CCOCc1nnc(NC(=O)c2ccco2)s1,CID2162949,,0.0,0.0,0.0,,,,0.0,,0.0,,0.0,0.0,,,,
COCc1nnc(NC(=O)c2ccco2)s1,CID750660,,,0.0,,,,0.0,0.0,,,,,,,,,
CC(C)N(C(=O)CSc1nnc(NC(=O)c2ccco2)s1)C(C)C,CID1462641,,,,,,,,,,,,,,,0.0,,
CCOC(=O)Cc1nnc(NC(=O)c2ccco2)s1,CID565346,,,0.0,,,,,0.0,0.0,,,,,,,0.0,
CCC(CC)c1nnc(NC(=O)c2ccco2)s1,CID975682,,,,,,,,,,,,,,,0.0,,
C/C=C(\C)c1nnc(NC(=O)c2ccco2)s1,CID976314,,,,0.0,,,0.0,0.0,,0.0,0.0,0.0,,,0.0,,0.0
CCSc1nnc(NC(=O)c2ccco2)s1,CID871965,0.0,,,,,,0.0,,,0.0,0.0,0.0,,0.0,0.0,,
CCSc1nnc(NC(=O)c2ccc(C)o2)s1,CID897940,0.0,0.0,,0.0,0.0,,0.0,,0.0,,,,0.0,0.0,,,
Cc1ccc(Cn2ccc(NC(=O)c3cc(-c4cccc(Cl)c4)on3)n2)cc1,CID3238268,0.0,,0.0,,0.0,0.0,,,,,,,,,,,0.0
COc1ccc(OC)c(-c2cc(C(=O)Nc3cc(C)n(Cc4ccc(Cl)cc4)n3)no2)c1,CID3240323,0.0,,,,0.0,,,,,,,,,,,,
Cc1ccc(Cn2ccc(NC(=O)c3cc(-c4ccc(F)cc4)on3)n2)cc1,CID3244953,0.0,,,,,,,0.0,,,,,,,,,0.0
COc1cccc(-c2cc(C(=O)Nc3cc(C)n(Cc4ccc(Cl)cc4)n3)no2)c1,CID3241972,0.0,,0.0,0.0,0.0,,,,,,,,,,,,
COc1ccc(-c2cc(C(=O)Nc3cc(C)n(Cc4ccc(Cl)cc4)n3)no2)cc1OC,CID3237184,0.0,,,,0.0,,,,,,,,0.0,,,,
COc1ccccc1-c1cc(C(=O)Nc2cc(C)n(Cc3ccc(Cl)cc3)n2)no1,CID3244603,0.0,0.0,,,0.0,,,,,,,,,,,,
Cc1ccc(Cn2ccc(NC(=O)c3cc(-c4ccccc4)on3)n2)cc1,CID1253408,,0.0,,0.0,,,,,,,0.0,,,,0.0,,0.0
Cc1ccc(Cn2ccc(NC(=O)c3cc(-c4ccc(Br)cc4)on3)n2)cc1,CID3237061,0.0,,,,,,0.0,,0.0,,,,,0.0,0.0,0.0,
Cc1ccc(Cn2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)on3)n2)cc1,CID3236497,0.0,,,,0.0,0.0,,,,,,,0.0,,,,
O=C(CN1CCc2ccccc2C1)Nc1ccc(Br)cc1,CID2350707,,,,,,,,,0.0,,,,,,,,
CCOC(=O)c1ccc(NC(=O)CN2CCc3ccccc3C2)cc1,CID935465,0.0,,,,,,0.0,,,,,0.0,,,,,0.0
CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)CN2CCc3ccccc3C2)c1,CID3484885,,,,,,,,,,,,,,,0.0,,
COc1cc2c(cc1OC)CN(CC(=O)Nc1cccc(C)c1)CC2,CID666059,0.0,,,0.0,,,,,,,,0.0,,,,,0.0
COc1cc2c(cc1OC)CN(CC(=O)Nc1ccc(C)cc1)CC2,CID1941952,,,,,,,,,0.0,,,0.0,,,0.0,,
COc1cc2c(cc1OC)CN(CC(=O)Nc1ccc(C#N)cc1)CC2,CID2086331,,,,,,,,,,,,0.0,,,,,
COc1cc2c(cc1OC)CN(CC(=O)Nc1ccccc1C#N)CC2,CID2508616,,,,,,,,,,0.0,,,,,,,
Cc1ccc(NC(=O)CN2CCc3ccccc3C2)cc1,CID2459161,,,,,,0.0,,,,,,0.0,,,,,
Cc1cc(C)cc(NC(=O)CN2CCc3ccccc3C2)c1,CID2351361,,,,,,0.0,,,,0.0,,,,,,,
CCN1C(=O)c2cccc3c(NC(=O)C(C)(C)C)ccc1c23,CID2381417,,,,,0.0,,0.0,,,,0.0,,,,,0.0,
CCN1C(=O)c2cccc3c(N)ccc1c23,CID771515,,,0.0,,,,,0.0,,,,,,,,,
CCCNS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2,CID1820382,,,,,,,,,0.0,,,,,,,,
CC(C)C(NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2)C(=O)O,CID3158616,,,,,,,0.0,,,,,,0.0,,,,0.0
CC(C(N)=O)N1C(=O)c2cccc3cccc1c23,CID2968435,,,,,,,,,,,,0.0,,,,,
CCN1C(=O)c2cccc3cccc1c23,CID74592,,,,,,,,0.0,,,,,,,,0.0,
CCN(CC)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2,CID726602,,,,1.0,,,,,,,,,,,,,
CCCCC(=O)Nc1ccc2c3c(cccc13)C(=O)N2CC,CID3238683,0.0,,,,0.0,,,0.0,,,,,,,,,
CC(C(=O)O)N1C(=O)c2cccc3cccc1c23,CID2984783,,,,,,,,,,0.0,,0.0,,0.0,,0.0,
CS(=O)(=O)N(CC(=O)N1CCC(C(N)=O)CC1)c1ccc(Cl)c(C(F)(F)F)c1,CID1075722,,,,,,,,,,,,0.0,,,,,
Cc1cc(C)cc(N(CC(=O)N2CCC(C)CC2)S(C)(=O)=O)c1,CID800675,,,,,,,,0.0,0.0,,,,,,,,0.0
CCOC(=O)C1CCN(C(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)CC1,CID648715,,,,,0.0,,0.0,,0.0,,,,,,,,0.0
Cc1ccc(N(C(C)C(=O)N2CCCCC2)S(C)(=O)=O)cc1C,CID648235,,0.0,,0.0,,,,,0.0,,,,,,,,0.0
Cc1ccc(N(C(C)C(=O)N2CCC(C)CC2)S(C)(=O)=O)cc1C,CID2974126,,,,,,,,,0.0,,,,,,,,
COc1ccc(Cl)cc1N(CC(=O)N1CCC(C)CC1)S(C)(=O)=O,CID1148718,,0.0,,,0.0,,,,0.0,,,0.0,,,,,
CC(=O)c1cccc(N(CC(=O)N2CCCCC2)S(C)(=O)=O)c1,CID962014,,,,,,,,,0.0,,,0.0,,,0.0,,
CCOC(=O)C1CCN(C(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)CC1,CID2929441,,,,,,,,0.0,,,,,,,,,
Cc1cc(C)cc(N(C(C)C(=O)N2CCCCC2)S(C)(=O)=O)c1,CID2964508,,,,,,,,,0.0,,,,,,,,0.0
Cc1cc(C)nc(Oc2ccc([N+](=O)[O-])cc2)n1,CID776048,,,,,,,,,,,,,,,0.0,,
CC(=O)Nc1ccc(Oc2ncccn2)cc1,CID1487531,,,,,,,,,0.0,,,0.0,,,,,
COc1ccnc(Oc2ccccc2)n1,CID824706,,,,,,,,,,,,,,0.0,,,
COc1cc(C)nc(Oc2ccc(/C=N/O)cc2)n1,CID751719,,,,,,,0.0,0.0,,,,,,0.0,,,
Clc1cccc(Oc2ncccn2)c1,CID1211468,,,,,,,,,,,,,,0.0,,,
CC(=O)Nc1ccc(Oc2nc(C)cc(C)n2)cc1,CID734494,,0.0,,,,,,0.0,0.0,,,0.0,,,,,
CCN(C(C)=O)c1ccc(Oc2nc(OC)cc(OC)n2)cc1,CID678770,,,,,,,,,,,,,,0.0,,,
CC(=O)Nc1ccc(Oc2ncccn2)c(Cl)c1,CID3700352,,,,,,,,,,,,0.0,,,,,
COc1ccc(Oc2nc(OC)cc(OC)n2)cc1,CID1486798,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1ccc2nc(NC(=O)c3ccco3)sc2c1,CID646260,,,0.0,0.0,,,,,0.0,,0.0,,,0.0,,,
O=C(Nc1nc2c(Cl)ccc(Cl)c2s1)c1ccco1,CID2159269,,0.0,,,,,,,,,,,,,,,
O=C(Nc1nc2ccc(Cl)cc2s1)c1ccco1,CID3143005,,,,,,,,,,0.0,,,,,,,
CS(=O)(=O)c1ccc2nc(NC(=O)c3ccco3)sc2c1,CID694928,,,0.0,,0.0,,,,,,,,,,,,
CC(C)CN(C(=O)c1ccco1)c1nc2ccccc2s1,CID2414029,,,,,,,,,,,,,,0.0,,,
O=C(Nc1nc2c(Cl)cccc2s1)c1ccc(Br)o1,CID666312,,,,,,,,,0.0,,,,,,,0.0,
O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(Br)o1,CID997681,,,,,,,,,,,,,,,,0.0,
Cc1ccc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)o1,CID903516,,,,,,,,,0.0,0.0,0.0,,,0.0,0.0,,
COc1ccc2sc(NC(=O)c3ccco3)nc2c1,CID3236025,,,,0.0,0.0,0.0,0.0,,,,,,,,,,0.0
O=C(CCOc1ccccc1)Nc1ccc([N+](=O)[O-])cc1,CID2788387,,,,,,,,,,,,,,,0.0,,
CC(=O)c1cccc(NC(=O)CCOc2ccccc2)c1,CID725635,,,,0.0,,,,0.0,0.0,,,,,,,0.0,
O=C(CCOc1ccccc1)Nc1ccccc1,CID725638,,,,,,0.0,,,0.0,,,,,,,,
CCOC(=O)c1ccc(NC(=O)CCOc2ccc(OC)cc2)cc1,CID974922,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1ccc(NC(=O)CCOc2ccccc2)cc1,CID310728,,,,,,,,,,0.0,,,,,,,
Cc1cccc(NC(=O)CCOc2ccccc2)c1,CID725621,,,,,,,,,0.0,0.0,,,,,,,
COc1ccc(NC(=O)CCOc2ccccc2)cc1,CID725629,,,,,,0.0,,,,0.0,,,,,,,
COc1ccc(NC(=O)CCOc2ccccc2)c(OC)c1,CID725601,,,,,,,0.0,,,,0.0,0.0,,,,,0.0
COC(=O)c1ccc(NC(=O)CCOc2ccccc2)cc1,CID725603,,,,,,,,,,,,,,,0.0,,
CC1SC(c2cccc(Cl)c2)NC1=O,CID2840110,,,,,,,,,,0.0,,,,,,,
COc1ccc(C2NC(=O)CS2)cc1OC,CID2998642,,,,,0.0,,0.0,0.0,,,,,,,,,
O=C1CSC(c2ccc(Cl)cc2)N1,CID2840721,,,,,,,,,0.0,0.0,,,,,,,
COc1ccc(C2NC(=O)CS2)cc1,CID3158592,,,,,,,,,,,0.0,,,,,,
COc1ccccc1C1NC(=O)CS1,CID3411758,,,,,0.0,0.0,0.0,0.0,,,,0.0,,,,,
CC1SC(c2ccc(F)cc2)NC1=O,CID580247,,,,,,,,,,,,,,,0.0,,
CC1SC(c2ccccc2Cl)NC1=O,CID2872214,,,,,,,,,0.0,0.0,,,,0.0,,,
CC1SC(c2ccc(Cl)cc2)NC1=O,CID2828158,,,,,,,,,,0.0,,,,,,,
COc1ccc(C2NC(=O)C(C)S2)cc1,CID2839874,,,,,,,,,,0.0,,,,,,,
CCOCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)cc1,CID663717,,0.0,0.0,,,,,,,,,0.0,,,,,
CCOCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccccc1,CID663690,,,,0.0,,0.0,,0.0,,,,0.0,0.0,,,0.0,
C=CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccccc1,CID1921763,,,,,,,,,,,0.0,,,,,,
C=CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)cc1,CID659856,,0.0,,,,,0.0,,,,,,,,,,0.0
C=CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)cc1,CID659460,,0.0,,,,,0.0,,,,,,,,,,
COCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)cc1,CID1926015,,,,,,,0.0,0.0,,,,,,,,,
COCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccccc1,CID659425,,,,0.0,,0.0,,,,,,,,,,,
C=CCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)cc1,CID662932,,0.0,,,,,,,,,0.0,,,,,,
CCOCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)cc1,CID663440,,,0.0,,,0.0,0.0,,,,,0.0,0.0,,,,
O=c1cc(N2CCOCC2)[nH]c(=O)n1-c1ccc(Br)cc1,CID4383512,0.0,,,,,,,,,,,,,,,0.0,
CC1CN(c2cc(=O)n(-c3ccc(Cl)cc3)c(=O)[nH]2)CC(C)O1,CID4622525,,,,,,,,,,,,,,0.0,,,
O=c1cc(N2CCOCC2)[nH]c(=O)n1-c1ccc(Cl)cc1,CID4622524,,0.0,,,,,,,,,,,0.0,,,0.0,
Cc1ccccc1-n1c(=O)cc(N2CC(C)OC(C)C2)[nH]c1=O,CID3241172,,,0.0,,0.0,,,,,,,,,,0.0,,
COc1ccc(-n2c(=O)cc(N3CC(C)OC(C)C3)[nH]c2=O)cc1,CID3241936,,,0.0,,,,,0.0,,,,,,,,,
CC1CN(c2cc(=O)n(-c3ccccc3)c(=O)[nH]2)CC(C)O1,CID5310355,,,0.0,0.0,,,,,,,,,,,,,
COc1ccc(-n2c(=O)cc(N3CCOCC3)[nH]c2=O)cc1,CID3242470,,0.0,,,,0.0,,0.0,0.0,,,,,,,0.0,
Cc1ccc(Cl)cc1-n1c(=O)cc(N2CC(C)OC(C)C2)[nH]c1=O,CID3244228,,0.0,,,,0.0,,,,,,,,,,0.0,0.0
CCC(=O)c1ccc(OCC(=O)N2CCCC2)c(OC)c1,CID2301424,,,,,,,,,,,,,,,0.0,,
O=C(COc1ccccc1Cl)N1CCCC1,CID883837,,0.0,,,,,,,,0.0,,,,0.0,,0.0,
COc1cc(C=O)ccc1OCC(=O)N1CCCC1,CID2517806,,,,,,,,,,,,,,0.0,0.0,,
O=C(COc1ccc(Br)cc1Cl)N1CCCC1,CID885808,,,,,,,,,,,,,,,,,0.0
Cc1cc(OCC(=O)N2CCCC2)ccc1Cl,CID883692,,0.0,,,,,,,,0.0,,,,0.0,,0.0,
CC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCCC2)c(Cl)c1,CID1243261,,,,,,,,,,0.0,,,,0.0,,,
Cc1cc(OCC(=O)N2CCCC2)cc(C)c1Cl,CID808142,,0.0,0.0,,,,,,,0.0,,,,,,0.0,
CCC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCCC2)cc1,CID2949509,,,,,,,,,,,0.0,,,,,,
Cc1ccc(OCCn2cc(/C(N)=N/O)c3ccccc32)cc1C,CID9595212,,,,,,0.0,,0.0,,,,,,,,,
COC(=O)c1cn(CCOc2ccccc2F)c2ccccc12,CID952040,,,,,,,,,,,,,,,0.0,,
N#Cc1cn(CCOc2ccccc2F)c2ccccc12,CID624432,,,,0.0,,,,0.0,,,,0.0,,,,,
COc1ccc(OCCn2cc(C=O)c3ccccc32)cc1,CID589080,,,,,,0.0,,,,,,,,,,,
COC(=O)c1cn(CCOc2ccccc2)c2ccccc12,CID951764,,,0.0,,,,0.0,,0.0,,,,,0.0,,,
COC(=O)c1cn(CCOc2ccc(C)cc2)c2ccccc12,CID951968,,,,,,,,,,,,0.0,,,,,
Cc1ccc(OCCn2cc(C#N)c3ccccc32)cc1,CID951797,,,,,,,,,,,,,,,0.0,,
CCc1cccc2c(C#N)cn(CCOc3ccccc3OC)c12,CID653455,,0.0,,,,0.0,,,,0.0,,,,,,,
CSc1ccccc1NC(=O)c1cc2ncc(Br)cn2n1,CID2236651,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC(=O)c2cc3nc(C)cc(C)n3n2)cc1,CID974413,,,,,,,,,,,,0.0,,0.0,,,
O=C(Nc1ccccc1F)c1cc2nc(C(F)F)cc(C(F)F)n2n1,CID1000583,,,,,,,,,0.0,,,,,,,,
COc1cc(NC(=O)c2cc3nc(C)cc(C)n3n2)c(OC)cc1Cl,CID2240104,,,,0.0,,,,0.0,,,,,,,,0.0,0.0
CC(=O)c1cccc(NC(=O)c2cc3nc(C)cc(C)n3n2)c1,CID2237122,,0.0,0.0,,,,,,,,0.0,,,0.0,,,
CCc1ccccc1NC(=O)c1cc2ncc(Br)cn2n1,CID2980953,,,,,,,,,,,0.0,,,,,,
O=C(Nc1ccc(F)cc1F)c1cc2ncc(Br)cn2n1,CID1257917,,,,,,,0.0,,0.0,,,,,,,0.0,0.0
COC(=O)c1ccccc1NC(=O)c1cc2ncc(Br)cn2n1,CID2235559,0.0,,,,,,0.0,,,,,0.0,,,,0.0,0.0
CCCOc1ccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2cccnc2)cc1,CID2949891,,,,,,,,,,,,0.0,,,,,
COc1cc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccnc2)cc(OC)c1OC,CID2919106,,,,,,,,0.0,,,,,,,,,
CCOc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccnc2)cc1OC,CID651709,,,,,,,,,0.0,,,,0.0,,,,
COc1cc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2cccnc2)ccc1O,CID652064,,0.0,,,,,,0.0,,,,,,,,,
C=CCOc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccnc2)cc1,CID2911378,,,0.0,,,,,,0.0,,,,,,,,0.0
CCOc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccnc2)cc1,CID2919194,0.0,,0.0,,,,,,0.0,,,,,,,,
CC(C)Oc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccnc2)cc1,CID662194,,0.0,,,,,,,0.0,0.0,,,0.0,,,,
COc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccnc2)cc1OC,CID2912448,,,,,,,0.0,,,,,,0.0,0.0,,,
CCO/C(O)=C1/C(=O)c2ccccc2N(C)C1=O,CID5709973,,,,,,,,,,,,,,,0.0,,
CCCCN1C(=O)/C(=C(\O)OCC)C(=O)c2ccccc21,CID6398933,,,,,,0.0,,,,,,,,,,,
CCN/C(O)=C1/C(=O)Nc2ccccc2C1=O,CID5409968,,,,0.0,,,,,,,0.0,,,,,,0.0
CCCCCCN/C(O)=C1/C(=O)Nc2ccccc2C1=O,CID5599172,,,0.0,0.0,,0.0,,0.0,,,,,,,,,
CCO/C(O)=C1/C(=O)c2ccccc2N(CC)C1=O,CID5391326,,,,,,,,,,,,,,,0.0,,
CCCCCCCCN1C(=O)/C(=C(\O)OCC)C(=O)c2ccccc21,CID9549992,,,,,,,,,,,,,,0.0,0.0,,
CCCCCN1C(=O)/C(=C(\O)OCC)C(=O)c2ccccc21,CID5389025,,,,0.0,,,0.0,,,,,,,,,,
CC(C)N/C(O)=C1/C(=O)Nc2ccccc2C1=O,CID5389094,,,,0.0,,,,0.0,,,,,,,0.0,,
O=C(CNC(=O)C1CCCCC1)Nc1ccccc1,CID800435,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccc(NC(=O)CNC(=O)C2CCCCC2)c(C)c1,CID800468,0.0,,,0.0,,,,,0.0,,,0.0,,,,,
CCC(C)C(NC(=O)C1CCC(C)CC1)C(=O)Nc1cc(OC)ccc1OC,CID6619109,,,,,,0.0,,,,,,,,,,,
COc1ccc(OC)c(NC(=O)C(CC(C)C)NC(=O)C2CCCCC2)c1,CID3237422,,,,,,,,,0.0,,,,,,,,
CCOC(=O)c1cccc(NC(=O)CNC(=O)C2CCCCC2)c1,CID2293194,0.0,,,0.0,,,0.0,,,,,0.0,,,,,
COC(=O)c1ccc(NC(=O)CNC(=O)C2CCCCC2)cc1,CID799768,,,,0.0,,,0.0,,0.0,,0.0,,0.0,,,,
CCOc1ccccc1NC(=O)C(CC(C)C)NC(=O)C1CCC(C)CC1,CID9551526,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1ccc(NC(=O)CNC(=O)C2CCCCC2)cc1,CID799677,0.0,,0.0,0.0,,,,0.0,0.0,,,0.0,,,,,0.0
Cc1nc2sccc2c(=O)n1-c1cccc(Cl)c1,CID901566,,,,,,,,,,,,,,0.0,,,
CCc1cc2c(=O)n(-c3ccc(C)cc3)cnc2s1,CID760049,,,,,,,,,,,,0.0,,,0.0,,
CCc1cc2c(=O)n(-c3ccccc3)cnc2s1,CID760047,,0.0,,,,,,,,,,,0.0,,0.0,,
Cc1ccccc1-n1c(C)nc2sccc2c1=O,CID901616,,,,,,0.0,,,,,,0.0,,,,,
CCc1cc2c(=O)n(-c3ccc(Br)cc3)cnc2s1,CID760050,,,,,,,,,,,0.0,,,,,,
Cc1ccc(-n2cnc3sc(C)c(C)c3c2=O)cc1,CID873444,,,,,,,,,,,,,,,0.0,,
Cc1cccc(-n2c(C)nc3sccc3c2=O)c1,CID901672,,,,,,0.0,,,,,,,,,,,
Cc1sc2ncn(-c3ccccc3)c(=O)c2c1C,CID780992,,,,,,,,,,,,,,,0.0,,
COCCNS(=O)(=O)c1ccc2c(c1)oc(=O)c1cc(S(=O)(=O)NCCOC)ccc12,CID2139815,,,,,0.0,,,,,,,,,,,,
Nc1ccc2oc(=O)c3ccccc3c2c1,CID347218,,,,0.0,,,0.0,,,0.0,,,,,,0.0,
CC(C)(C)NS(=O)(=O)c1ccc2c(c1)oc(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc12,CID9550957,,,,,,,,,0.0,,,,,,,,
CNS(=O)(=O)c1ccc2c(c1)oc(=O)c1cc(S(=O)(=O)NC)ccc12,CID1293115,,,,,,,,,,,,,,0.0,,,
NC(=O)c1cccc2c(=O)oc3ccccc3c12,CID965351,,,,0.0,,,,,,,,,,,,,
CC(=O)COc1ccc2c(c1)oc(=O)c1ccccc12,CID701976,,,,,,0.0,,,,,,,,,,,
CC(=O)COc1ccc2c(oc(=O)c3ccccc32)c1C,CID701990,,,,,,0.0,,,,,,,,,,,
CCOC(=O)C(C)Oc1ccc2c(oc(=O)c3ccccc32)c1C,CID2888235,,,,,,0.0,,,,,,,,,,,
COC(=O)c1ccccc1NC(=O)CN1CCC(NC(=O)c2ccccc2C)CC1,CID651058,0.0,,,,,,,,0.0,,,0.0,,,,,0.0
COC(=O)c1ccccc1NC(=O)CN1CCC(NC(=O)c2ccc(C)cc2)CC1,CID651323,0.0,,0.0,0.0,,,,,0.0,,,,,,,0.0,0.0
Cc1ccc(C(=O)NC2CCN(CC(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1,CID3220837,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1C(=O)NC1CCN(CC(=O)Nc2c(C)cccc2C)CC1,CID3220758,,,,,,,,,0.0,,,0.0,,,,,
CCOc1ccc(OCC)c(NC(=O)CN2CCC(NC(=O)c3cccc(F)c3)CC2)c1,CID654082,,,,,,,0.0,,,,,,,,,,0.0
COC(=O)c1cccc(NC(=O)CN2CCC(NC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)c1,CID651408,,,,,,,,0.0,,,,0.0,0.0,,,,
CCOc1ccccc1NC(=O)CN1CCC(NC(=O)c2ccccc2)CC1,CID3220800,,,,,,0.0,,,0.0,,,0.0,,,0.0,,
COc1ccc(C(=O)NC2CCN(CC(=O)Nc3cccc(C)c3)CC2)cc1OC,CID3220741,,,,,,,,,0.0,,,0.0,,,,,
COn1c(SCc2ccccc2)nc2ccccc2c1=O,CID934945,,,,,,,,,,,,,,,0.0,,
CC(=O)NCCn1c(SCc2ccccc2C)nc2ccccc2c1=O,CID3443463,,,,,,0.0,,,,,,,,,,,
COn1c(SCc2cccc(Cl)c2)nc2ccccc2c1=O,CID938363,,,,,,,,,,0.0,,,,0.0,,,
CC(=O)NCCn1c(SCc2ccc(C)cc2)nc2ccccc2c1=O,CID4064736,,,,,,0.0,,,,,,,,,,,
COn1c(SCc2ccc(Cl)cc2)nc2ccccc2c1=O,CID931945,,,,,,0.0,,,,0.0,,,,0.0,0.0,,
CC(=O)NCCn1c(SCc2ccccc2F)nc2ccccc2c1=O,CID3237219,,0.0,0.0,0.0,0.0,,0.0,,,0.0,,,,,,,0.0
COn1c(SCc2ccc(C)cc2C)nc2ccccc2c1=O,CID932902,,,,,,,,,,,,0.0,,,,,
CC(=O)NCCn1c(SCc2ccc(C)cc2C)nc2ccccc2c1=O,CID3431638,,,,,,,,,,,0.0,,,,,,
CC(=O)c1cccc(NC(=O)C2CCCN2S(=O)(=O)c2cccc3cccnc23)c1,CID5309903,,,,,,,,,,0.0,,,,,,,
CC(=O)c1ccc(NC(=O)C2CCCN2S(=O)(=O)c2cccc3cccnc23)cc1,CID5308845,,,,,,,,,,,,,0.0,,,,
Cc1cccc(NC(=O)C2CCCN2S(=O)(=O)c2cccc3cccnc23)c1,CID5308083,,0.0,,0.0,,,,,,,0.0,,,,,,
Cc1ccccc1NC(=O)C1CCCN1S(=O)(=O)c1cccc2cccnc12,CID5309436,,,,,,0.0,,,,0.0,0.0,,,,,,
O=C(Nc1cccc(F)c1)C1CCCN1S(=O)(=O)c1cccc2cccnc12,CID5307304,,0.0,,,,,,0.0,,,,,,,,,0.0
COc1cc(NC(=O)C2CCCN2S(=O)(=O)c2cccc3cccnc23)cc(OC)c1OC,CID5309619,,,,0.0,,,,,,,,,,,,,
O=C(Nc1ccc(C(F)(F)F)cc1)C1CCCN1S(=O)(=O)c1cccc2cccnc12,CID3245750,,,,,0.0,,,,,,,,,,,,
O=C(Nc1cccc(C(F)(F)F)c1)C1CCCN1S(=O)(=O)c1cccc2cccnc12,CID3243615,,,,,0.0,,,0.0,,,,,,,,,
Cc1cccc(Cn2cnc3c(nnn3Cc3ccccc3F)c2=O)c1,CID3245639,,0.0,0.0,,,0.0,,,,,,,,,,,
Cc1ccc(Cn2nnc3c(=O)n(Cc4ccccc4C)cnc32)cc1,CID5207541,,0.0,0.0,,,,,,,,,,,,0.0,,
Cc1cccc(Cn2cnc3c(nnn3Cc3ccc(Cl)cc3)c2=O)c1,CID3239509,0.0,,0.0,,,0.0,0.0,,,,,,,,0.0,,
Cc1ccc(C)c(Cn2cnc3c(nnn3Cc3ccc(F)cc3)c2=O)c1,CID3245622,,,,,,,,,,,,,,,,,0.0
Cc1ccccc1Cn1cnc2c(nnn2Cc2ccc(F)cc2)c1=O,CID3236219,,,0.0,,,,,,,,,0.0,,,0.0,,
Cc1ccc(Cn2cnc3c(nnn3Cc3ccc(Cl)cc3)c2=O)cc1,CID3242946,0.0,,,,,,,,,,,,0.0,,,,
O=c1c2nnn(Cc3ccc(Cl)cc3)c2ncn1Cc1ccc(F)cc1,CID3238747,0.0,0.0,0.0,,,,,,,,,0.0,,,,,
Cc1ccc(Cn2nnc3c(=O)n(Cc4cc(C)ccc4C)cnc32)cc1,CID3236495,,0.0,0.0,0.0,,,,0.0,,,,,,,,,
CCOc1ccc(S(=O)(=O)NCCSc2ccccc2)cc1,CID2197793,,,,,,,,,,0.0,,,,,,,
O=S(=O)(NCCSc1ccccc1)c1ccc(F)cc1,CID2276062,,,,,,,,,,0.0,,,,,,,
COc1ccc(S(=O)(=O)NCCSc2ccc(Cl)cc2)cc1OC,CID2043339,,,,,,,,,,,,,,0.0,,,
Cc1ccc(SCCNS(=O)(=O)c2ccc(F)cc2)cc1,CID2275256,,,,,,,,,,,,0.0,,,,,
Cc1ccc(S(=O)(=O)NCCSc2ccccc2)cc1[N+](=O)[O-],CID2896733,,,,,,,,,,,,,,0.0,,,
COc1ccc(S(=O)(=O)NCCSc2ccccc2)cc1OC,CID2281855,,,,,,,,,,,,,0.0,0.0,0.0,,
O=S(=O)(NCCSc1ccc(Cl)cc1)c1ccc(F)cc1,CID2274741,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(S(=O)(=O)NCCSc2ccc(C)cc2)cc1OC,CID2266609,,,,,,0.0,,,,0.0,,,,0.0,0.0,,
Cc1cccc(-c2noc(CN(C(C)C)S(=O)(=O)c3ccc(F)cc3)n2)c1,CID2236117,,,,,0.0,,,0.0,,,,,,,,,0.0
Cc1cccc(-c2noc(CN(C(C)C)S(=O)(=O)c3ccc(Cl)cc3)n2)c1,CID2224029,0.0,0.0,0.0,0.0,0.0,,,,,,,,,,,,
Cc1cccc(-c2noc(CN(C)S(=O)(=O)c3cc(Cl)ccc3Cl)n2)c1,CID1300454,,,,,,,,,,,,,0.0,,,,
CC(C)N(Cc1nc(-c2ccccc2)no1)S(=O)(=O)c1ccccc1,CID2989398,,,,,,,,,,0.0,,,,,,0.0,0.0
COc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccccc3)n2)cc1OC,CID2219905,,0.0,0.0,,0.0,,0.0,0.0,,,,,,,,,0.0
Cc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccc(Br)cc3)no2)cc1,CID1293360,0.0,,,,,,0.0,,0.0,,,,,,,,0.0
COc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(C)cc3)n2)cc1,CID2203235,,,,,,,,,,,,,0.0,,,0.0,
COc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)n2)cc1OC,CID1300329,,0.0,0.0,0.0,0.0,,,,0.0,,0.0,0.0,,,,0.0,0.0
COc1ccc(-c2cc(N)n(S(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)n2)cc1OC,CID3237441,,,,,,,,,,,,0.0,,,,,0.0
Nc1cc(-c2ccc(Br)cc2)nn1S(=O)(=O)c1ccccc1,CID5308599,0.0,,,,,,,,,,,,,,,0.0,
COc1ccc(OC)c(S(=O)(=O)n2nc(-c3ccccc3)cc2N)c1,CID5309703,0.0,,,,,0.0,,,,,,,,,,,
COc1ccccc1-c1cc(N)n(S(=O)(=O)c2ccc(F)c(C)c2)n1,CID5307562,0.0,0.0,0.0,,,,,,,,,,,,,0.0,
COc1ccc(S(=O)(=O)n2nc(-c3cc(OC)c(OC)c(OC)c3)cc2N)cc1OC,CID5309498,,,0.0,,,,,,,,,,,,,,
CCOc1ccc(-c2cc(N)n(S(=O)(=O)c3ccc(OC)cc3)n2)cc1,CID9551528,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(-c2cc(N)n(S(=O)(=O)c3ccc(OC)c(OC)c3)n2)cc1,CID9550520,,,,,,0.0,,,,,,,,,,,
COc1cc(-c2cc(N)n(S(=O)(=O)c3ccccc3)n2)cc(OC)c1OC,CID9550527,,,,,,0.0,,,,,,,,,,,
COc1ccc(Cl)cc1S(=O)(=O)N1CCN=C1C,CID801730,,0.0,,0.0,,,,,,0.0,,,,0.0,,0.0,0.0
CSC1=NCCN1S(=O)(=O)c1ccc(Cl)cc1,CID731321,,,,,,,,,,,,,,,0.0,,
COc1ccc(Br)cc1S(=O)(=O)N1CCN=C1C,CID802857,0.0,,,,,,,,0.0,,,0.0,,0.0,,,
CC(=O)Nc1ccc(S(=O)(=O)N2CCN=C2C)cc1,CID759577,,0.0,,,,,,0.0,,,,,,,,,
CC1=NCCN1S(=O)(=O)c1ccc(Br)c(C)c1,CID3245862,0.0,,,,,,,,,,,,,,,0.0,
CCSC1=NCCN1S(=O)(=O)c1ccc(Cl)cc1,CID2148551,,,,,,,,,,,,,,0.0,0.0,,
CCSC1=NCCN1S(=O)(=O)c1ccccc1,CID2148549,,,,,,,,,,,,,,,0.0,,
CSC1=NCCN1S(=O)(=O)c1ccccc1,CID2148541,,,,,,,,,,,,,,0.0,,,
COc1ccc(NC(=O)COC(=O)c2cnccn2)cc1Cl,CID2432395,,,,0.0,,,0.0,,,,,,,,0.0,,0.0
Cc1cnc(C(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)cn1,CID2334966,,,,,,,,,,,,,,,0.0,,
Cc1cnc(C(=O)OCC(=O)Nc2ccc(Cl)cc2)cn1,CID2336875,,0.0,,,,,0.0,,,,,,,,,,0.0
COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)c1cnc(C)cn1,CID2337072,,,,,0.0,,,,0.0,,,,,,,,
COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1cnc(C)cn1,CID2346494,,0.0,,,,,0.0,,,,,,0.0,,,,0.0
Cc1cnc(C(=O)OCC(=O)Nc2cccc(Cl)c2)cn1,CID2334976,,,0.0,,,,0.0,,,,,,,,,0.0,0.0
O=C(COC(=O)c1cnccn1)Nc1ccc(Cl)cc1,CID2432730,0.0,,,,,,0.0,,,,,,,,,,
Cc1cnc(C(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)cn1,CID2391674,0.0,,,,,,,,,,,,0.0,,0.0,,
CCOc1ccc(Nc2nc3ccccc3n3nnnc23)cc1,CID9550191,,,,,,,,,,0.0,,,,,,,
COc1ccc(Nc2nc3ccccc3n3nnnc23)cc1,CID1251345,,,,,,,,,,,0.0,0.0,,,,,
COc1cc(Nc2nc3ccccc3n3nnnc23)cc(OC)c1OC,CID1511416,,,,,,0.0,,,,,,,,,,,
Fc1cc(Br)ccc1Nc1nc2ccccc2n2nnnc12,CID5307505,0.0,,,,,,,,,,,,,,,,
Fc1cccc(Nc2nc3ccccc3n3nnnc23)c1,CID1506319,,,,,,,,,,,0.0,0.0,,,,,
CCN(CC)S(=O)(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1,CID3245108,,0.0,,,0.0,,,,,,,,,,,,
COc1cccc(Nc2nc3ccccc3n3nnnc23)c1,CID9550895,,,,,,,,,,,0.0,,,,,,
Brc1ccc(Nc2nc3ccccc3n3nnnc23)cc1,CID1250406,,,,,,,,,0.0,,,,,,,,
Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1,CID2329268,,,,,,,,,,0.0,,,,0.0,,,
CCc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1,CID4810884,,,,,,,,,,,0.0,,,,,,
CN(C(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1ccccc1,CID2329041,,,,,,,,,,,,,,,0.0,,
COc1ccc(OC)c(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1,CID3236255,,,,,0.0,,0.0,,0.0,,0.0,,0.0,,,,
CC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1,CID2329267,,,,,,0.0,,,0.0,0.0,0.0,0.0,,0.0,,,
Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1C,CID1535327,,,,,,0.0,,,0.0,0.0,0.0,,,0.0,,,
Cc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1,CID1541674,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1,CID3237508,,,0.0,,0.0,,,,0.0,,0.0,,,,,,
CCCn1c(N2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C,CID786577,,,,,,,,,0.0,,,,,,,,
CC(C)CCn1c(N2CCOCC2)nc2c1c(=O)n(CC(N)=O)c(=O)n2C,CID657641,,0.0,,0.0,,,,,,,,,0.0,0.0,,,
C=Cn1c(N2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C,CID657710,,,,,,,,,,,,0.0,0.0,,,0.0,
Cn1c(=O)c2c(nc(N3CCOCC3)n2C)n(C)c1=O,CID35697,,,,0.0,,,,,,,,0.0,,,,,
CCCCCOC(=O)Cn1c(=O)c2c(nc(N3CCOCC3)n2C)n(C)c1=O,CID3102700,,,,,,,,,,,0.0,,,,,,
CCOC(=O)Cn1c(N2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C,CID647575,,,,,,,,,,,,,,0.0,,0.0,
C=CCn1c(N2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C,CID845373,,,,,,,,,,,,,,,0.0,,
CCCCCOC(=O)Cn1c(N2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C,CID655448,,,,,,,,0.0,,,,,,,,,
COC(=O)c1cc(C(=O)c2cccc(Cl)c2Cl)cn1C,CID1478380,,,,,,,,,,,,0.0,,0.0,,,
NC(=O)c1cc(C(=O)c2ccc(Cl)cc2)c[nH]1,CID3710433,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1[nH]c(C)c(C(=O)c2ccc(C)cc2)c1C,CID684756,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1[nH]c(C)c(C(=O)c2cc(F)ccc2F)c1C,CID776925,,,0.0,,,,,,,,,,,0.0,,,0.0
CNC(=O)c1cc(C(=O)c2c(Cl)cccc2Cl)c[nH]1,CID1478384,,,,,,,,,,,,,,0.0,,,
CN(C)C(=O)c1cc(C(=O)c2ccccc2Cl)c[nH]1,CID1473260,,,,,,,,,,,,,,0.0,,,
COC(=O)c1cc(C(=O)c2ccc(C(C)(C)C)cc2)c[nH]1,CID1485120,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1C(=O)c1c[nH]c(C(N)=O)c1,CID1489214,,,,,,,,,,,,0.0,,,,,
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3C)cc2)c(OC)c1OC,CID2921433,,,,,0.0,,0.0,,,,,,,,,,
O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1Cl,CID1362650,,,,,,0.0,,,,0.0,,0.0,,,,,
COc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3C)cc2)cc(OC)c1OC,CID2921112,,,0.0,,0.0,,,,0.0,,0.0,0.0,,,,,
COc1cc(S(=O)(=O)N2CCCCC2)ccc1NC(=O)c1ccccc1Cl,CID3151986,,,,,,,,,,,,0.0,,,,,
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1,CID1108174,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1OC,CID1108175,,0.0,0.0,,0.0,,,,,0.0,0.0,,,,,,0.0
CN(c1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(C)(=O)=O,CID1228113,,,,,0.0,,0.0,,,0.0,,,,,,0.0,
COc1cc(S(=O)(=O)N2CCCCC2)ccc1NC(=O)c1ccc(F)cc1,CID1078655,,,,,,,0.0,,,,,,,,,,0.0
Cc1ccc(NC(=O)c2sc(Cl)nc2-c2ccccc2)cc1,CID850698,,,,,,,,,,,,,,,0.0,,
Cc1cccc(NC(=O)c2sc(Cl)nc2-c2ccccc2)c1,CID850695,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C)c(NC(=O)c2sc(Cl)nc2-c2ccccc2)c1,CID850694,,,,,,,,,,,,,,0.0,0.0,,
O=C(Nc1cccc(F)c1)c1sc(Cl)nc1-c1ccccc1,CID850696,,,,,,,,,,,,,,,0.0,,
Cc1ccc(NC(=O)c2sc(Cl)nc2-c2ccccc2)cc1C,CID850692,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1NC(=O)c1sc(Cl)nc1-c1ccccc1,CID850703,,,,,,,,,,,,0.0,,0.0,0.0,,
COc1ccc(NC(=O)c2sc(Cl)nc2-c2ccccc2)cc1,CID850702,,,,,,,,,,,,,,0.0,,,
O=C(Nc1ccccc1)c1sc(Cl)nc1-c1ccccc1,CID850246,,,,,,,,,,,,,,,0.0,,
O=C(NCc1ccco1)c1cc(-c2ccccc2)on1,CID973870,,0.0,,,,,,,0.0,,,0.0,,,,,
COc1ccccc1-c1cc(C(=O)NCc2ccco2)no1,CID3235683,,,,,,0.0,0.0,,0.0,,,0.0,,,,,
COc1ccc(OC)c(-c2cc(C(=O)NCc3ccco3)no2)c1,CID3235828,,,,0.0,,0.0,,,,,,,0.0,,0.0,,
O=C(NCc1ccco1)c1cc(-c2ccc(Cl)cc2)on1,CID3244410,0.0,,,0.0,,,,,,,,,,,,0.0,0.0
Cc1ccc(-c2cc(C(=O)NCc3ccco3)no2)cc1,CID1093774,0.0,,0.0,0.0,,,0.0,0.0,,,,0.0,0.0,,,,
COc1cccc(-c2cc(C(=O)NCc3ccco3)no2)c1,CID3244363,,,0.0,,,,,,,,0.0,,,,,,
O=C(NCc1ccco1)c1cc(-c2ccc(F)cc2)on1,CID3238935,,,,0.0,,,,0.0,,0.0,,,,,,,
O=C(NCc1ccco1)c1cc(-c2cccc(Cl)c2)on1,CID3243953,0.0,0.0,0.0,,,0.0,0.0,,,,,,,,,0.0,0.0
COc1ccc(NC2c3ccccc3C(=O)N2Cc2ccco2)cc1OC,CID5308091,,0.0,,,,,,,,,,,,,,,
CCOc1ccc(NC2c3ccccc3C(=O)N2Cc2ccco2)cc1,CID5309046,0.0,,,0.0,,,,0.0,,,,,,,,,0.0
Cc1ccccc1NC1c2ccccc2C(=O)N1Cc1ccco1,CID9550875,,,,,,0.0,,,,,,,,,,,
COc1cccc(NC2c3ccccc3C(=O)N2Cc2ccco2)c1,CID5309607,0.0,0.0,,,,0.0,,,,,,,0.0,,,,0.0
CCc1ccccc1NC1c2ccccc2C(=O)N1Cc1ccco1,CID5307823,0.0,,0.0,0.0,,,,0.0,,,0.0,,,,,,
CCOC(=O)c1cccc(NC2c3ccccc3C(=O)N2Cc2ccco2)c1,CID5307880,0.0,,0.0,,,,,0.0,,,,,0.0,,,,
CCOc1ccccc1NC1c2ccccc2C(=O)N1Cc1ccco1,CID5309776,0.0,,,,,,,,,,,,0.0,,,,
O=C1c2ccccc2C(Nc2ccc(F)c(Cl)c2)N1Cc1ccco1,CID5309552,0.0,,,,,,0.0,,,,,,,,,,
CCCCOC(=O)CNc1n[nH]c(=S)[nH]c1=O,CID1555503,,,,,,,,,,,,0.0,,,,,
Cc1nn(CC(C)C)c(=S)[nH]c1=O,CID685507,,,,,,,,,,,,,0.0,,,,
O=C(O)CCc1n[nH]c(=S)[nH]c1=O,CID1419129,,,,,,,,,,,,0.0,,,,,
CCCCOC(=O)C(C)Nc1n[nH]c(=S)[nH]c1=O,CID2729311,,,,,,,,,,,,0.0,,,,,
CC(C)COC(=O)CNc1n[nH]c(=S)[nH]c1=O,CID723263,,,,,,,,,,0.0,,,,,0.0,,
COC(=O)Cc1n[nH]c(=S)[nH]c1=O,CID659210,,0.0,,,,,,,,,,,0.0,,,,
COC(=O)CNc1n[nH]c(=S)[nH]c1=O,CID1425004,,,,0.0,,,,,,,,,,,,,
CC(C)(C)c1n[nH]c(=S)n(N)c1=O,CID676486,,,,,,,,,,,,,0.0,,,,
Cn1nnnc1NCc1c(F)cccc1Cl,CID1251687,0.0,,0.0,,,,,,,,,,,,,,
CCCCn1nnnc1NCc1cccc(OC)c1OC,CID667335,,,0.0,,,0.0,,0.0,,,,,,0.0,,,
CCCCn1nnnc1NCc1ccc(OC)c(OC)c1,CID1817983,,,,,,,,,,,,0.0,0.0,0.0,0.0,,
CCCCn1nnnc1NCc1cc(Cl)c(OC)c(OC)c1,CID1817980,,,,,,,,,,,,,,,0.0,,
CCCCn1nnnc1NCc1cc(OC)c(OC)cc1OC,CID666139,,,,0.0,,,,,,,,,0.0,,,,
CCCCn1nnnc1NCc1cc(OC)c(OC)c(OC)c1,CID666461,,0.0,,,,,,,,0.0,0.0,,,,,,
CCCCn1nnnc1NCc1ccc(N(CC)CC)cc1,CID1817984,,,,,,,,,,,,0.0,,,,,
CCCCn1nnnc1NCc1ccc(OC)c(OC)c1OC,CID666336,,0.0,,0.0,,,,0.0,,,,,,,,,
COC(=O)NCC(c1cccnc1)N1CCN(c2ccccc2)CC1,CID3503413,0.0,0.0,,0.0,,,,,,,,,,,,,
CS(=O)(=O)NCC(c1cccnc1)N1CCN(c2ccc(F)cc2)CC1,CID3245550,0.0,,,,,,,,,,,,,,,,
CCS(=O)(=O)NCC(c1cccnc1)N1CCN(c2ccc(F)cc2)CC1,CID3239247,0.0,,,,,,,,,,,,,,,,
CCS(=O)(=O)NCC(c1cccnc1)N1CCN(c2ccccc2OC)CC1,CID4078942,,,,,,,,,,,,,0.0,,,,
COC(=O)NCC(c1cccnc1)N1CCN(c2ccccc2OC)CC1,CID3236061,0.0,,0.0,,,,0.0,,,,,,,,,,
CCS(=O)(=O)NCC(c1cccnc1)N1CCN(c2ccccc2F)CC1,CID3242474,,0.0,,,,0.0,0.0,,,,,,0.0,,,,
FC(F)(F)c1cccc(N2CCN(Cc3cccnc3)CC2)c1,CID764432,0.0,,,,0.0,,0.0,,,,,,,,,,0.0
COc1cccc(N2CCN(Cc3cccnc3)CC2)c1,CID781997,0.0,,,0.0,,,,,,,0.0,,,,,,
O=C1CC(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)C(=O)N1,CID3155911,,,,0.0,,,0.0,,,0.0,,,,,,,
CCN1C(=O)CC(N2CCN(c3ccc(OC)cc3)CC2)C1=O,CID660008,,,,0.0,,0.0,,,,,,0.0,,,,,
COc1ccc(N2CCN(C3CC(=O)N(C)C3=O)CC2)cc1,CID2936327,,0.0,0.0,,,,0.0,0.0,,,,0.0,,,,,
CCN1C(=O)CC(N2CCN(c3ccc(Cl)cc3)CC2)C1=O,CID2882430,,0.0,0.0,,,,,,,,,,0.0,,,,0.0
COc1ccc(N2CCN(C3CC(=O)NC3=O)CC2)cc1,CID660277,,,,,,,,,,,,0.0,,,,,
CS(=O)(=O)c1ccc(N2CCN(C3CC(=O)NC3=O)CC2)cc1,CID2979076,,,,,,,0.0,,,,,,0.0,,,,
CN1C(=O)CC(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)C1=O,CID660305,0.0,,,,,,,,,,,,,,,,
CN1C(=O)CC(N2CCN(c3ccccc3)CC2)C1=O,CID3109124,,,,,,,,,,,0.0,0.0,,,,,
O=C(O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1O,CID711382,,,,,,,,0.0,0.0,,,,,,,0.0,
O=C(O)c1cccc(NS(=O)(=O)/C=C/c2ccccc2)c1,CID765694,,,,,,0.0,,,,,,,,,,,
NS(=O)(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1,CID854239,,0.0,,0.0,,,0.0,,,0.0,,,,,,,
COc1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1,CID767425,,,,,,,,,,,,,,0.0,,,
NC(=O)NC(=O)COC(=O)c1cccc(NS(=O)(=O)/C=C/c2ccccc2)c1,CID2113711,,,,,,,,,,,,,,,0.0,,
O=C(O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1,CID765496,,,,0.0,,,,0.0,0.0,0.0,0.0,0.0,,,,,
C=CCN(c1ccccc1C(=O)O)S(=O)(=O)/C=C/c1ccccc1,CID776066,,,,,,,,,,,,,,0.0,0.0,,
CN(C)S(=O)(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1,CID2077990,,,,,0.0,,,,0.0,0.0,,,0.0,,0.0,,
CCOc1cccc(OCCCCn2ccnc2)c1,CID2923325,0.0,0.0,,,,,,0.0,,,,,,,,,
Clc1ccccc1OCCCCn1ccnc1,CID3839220,0.0,0.0,,,,,,,,,,,,,,0.0,0.0
Cc1ccc(C)c(OCCCCn2ccnc2)c1,CID2846887,,,,,,0.0,,,0.0,,,,,,,,
Cc1ccc(OCCCCn2ccnc2)c(Cl)c1,CID2851545,0.0,0.0,0.0,0.0,,,,,0.0,0.0,,,,,,0.0,0.0
Cc1ccc(OCCCCn2ccnc2)c([N+](=O)[O-])c1,CID2923891,,,,,,,,,,,,,,0.0,,,
Cc1cccc(Cl)c1OCCCCn1ccnc1,CID2852738,0.0,,0.0,,,,0.0,,,0.0,,0.0,0.0,,,0.0,0.0
Cc1cc(Cl)cc(C)c1OCCCCn1ccnc1,CID2853308,,,,0.0,,,0.0,,,,,,0.0,,,0.0,
Cc1cc(OCCCCn2ccnc2)cc(C)c1Cl,CID2853604,,,,,,0.0,,,,,,,,,,,
CS(=O)(=O)N1CCCC(C(=O)NCCc2ccc(Cl)cc2)C1,CID3243460,0.0,0.0,,,0.0,,,,,,0.0,,,,0.0,,0.0
Cc1ccc(CCNC(=O)C2CCCN(C(=O)N(C)C)C2)cc1,CID4651575,,,,,,0.0,,,0.0,,,,,,,,
CCCS(=O)(=O)N1CCCC(C(=O)NCCc2ccc(Cl)cc2)C1,CID3245010,0.0,0.0,,,0.0,,,,,,,,0.0,,,,
CS(=O)(=O)N1CCCC(C(=O)NCCc2ccccc2)C1,CID2975931,,,,0.0,,,0.0,,,,,,,,,,0.0
COc1ccc(CCNC(=O)C2CCCN(S(C)(=O)=O)C2)cc1OC,CID3243542,,,0.0,,,,,,,,,,,,,,
CCOc1ccc(CCNC(=O)C2CCCN(C(=O)N(C)C)C2)cc1OCC,CID3243669,,,,,0.0,,,,,,,,,,,,
CCCS(=O)(=O)N1CCCC(C(=O)NCCc2ccc(OC)c(OC)c2)C1,CID3237326,,,0.0,,,,,,,,,,0.0,,,,
CN(C)C(=O)N1CCCC(C(=O)NCCc2ccccc2)C1,CID4651693,,,,,,,,,0.0,0.0,,,,,,,
Cc1ccc(NC(=O)Cn2nc(C)c3ccccc3c2=O)cc1,CID658951,,,,0.0,0.0,0.0,,,,0.0,,,,,,,
Cc1ccc(NC(=O)Cn2nc(C)c3ccccc3c2=O)cc1F,CID650440,,,,,,,,0.0,,,,,,,,,
Cc1nn(CC(=O)Nc2ccccc2)c(=O)c2ccccc12,CID702830,,,0.0,0.0,,,,,0.0,,,,0.0,,,,
Cc1nn(CC(=O)Nc2ccc(C(=O)N(C)C)cc2)c(=O)c2ccccc12,CID1304436,,0.0,0.0,,,,0.0,,,,0.0,,,,,,
Cc1ccc(C)c(NC(=O)Cn2nc(C)c3ccccc3c2=O)c1,CID655760,,0.0,,,0.0,,,,0.0,,,,0.0,,,,0.0
Cc1cc(O)c(C(C)C)cc1NC(=O)Cn1nc(C)c2ccccc2c1=O,CID599493,,,,,0.0,,,0.0,0.0,,,,0.0,,,,
Cc1ccc(NC(=O)Cn2nc(C)c3ccccc3c2=O)c(C)c1,CID648380,,,,0.0,0.0,,,,0.0,,,0.0,,,,,
CCN(CC)C(=O)c1ccc(NC(=O)Cn2nc(C)c3ccccc3c2=O)cc1,CID1306519,,,0.0,,,,,,,,,,0.0,,0.0,,
CC(C)C(=O)Nc1cccc(-c2cnc3ccccc3n2)c1,CID952056,,,,,,0.0,,,,,0.0,0.0,,,,,
O=C(O)CCC(=O)NNc1nc2ccccc2nc1-c1ccccc1,CID801781,,,,,,,,,,,,,,0.0,0.0,,
Cc1nc2ccccc2nc1-c1ccc([N+](=O)[O-])cc1,CID248887,,,,,,0.0,,,,,,,,,,,
O=C(CCl)Nc1cccc(-c2cnc3ccccc3n2)c1,CID1485433,,,,,,,,,,0.0,,,,,,,
CCC(=O)Oc1ccc(-c2cnc3ccccc3n2)cc1,CID768876,,,,,,,,,,,,,,0.0,,,
CCC(=O)Nc1cccc(-c2cnc3ccccc3n2)c1,CID952076,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1ccc2ncc(-c3ccccc3)nc2c1,CID4641052,,,,,,,,,,,,,,,0.0,,
CC(=O)Nc1cccc(-c2cnc3ccccc3n2)c1,CID650863,,,0.0,,,,,,,,,,,,,0.0,
CCc1nc2ccc(C(=O)Nc3cccc(C(C)=O)c3)cc2nc1CC,CID2476996,,,,,,,,,,,,,,,0.0,,
CCc1nc2ccc(C(=O)Nc3ccc(NC(C)=O)cc3)cc2nc1CC,CID2460786,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(NC(=O)c2ccc3nccnc3c2)cc1,CID858920,,,,,,,,,0.0,,,0.0,,,0.0,,
CCOc1ccccc1NC(=O)c1ccc2nccnc2c1,CID649937,0.0,,0.0,,0.0,0.0,,0.0,0.0,0.0,,,,,0.0,,
O=C(Nc1ccc(SC(F)F)cc1)c1ccc2nccnc2c1,CID2227367,,,,,0.0,,,0.0,,0.0,,,,,,0.0,
O=C(Nc1ccccc1Cl)c1ccc2nccnc2c1,CID1076007,,,,,,0.0,,,,,,,,,,,
COC(=O)c1ccccc1NC(=O)c1ccc2nccnc2c1,CID2466236,,,,,,,,,,,,,,0.0,0.0,,
CCOC(=O)c1ccccc1NC(=O)c1ccc2nccnc2c1,CID2573987,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1CC(C)(C)OC2,CID2857902,,,,,,,,,0.0,0.0,,,,,,,
CC1(C)Cc2c(sc(NC(=O)c3ccccc3Cl)c2C(=O)O)CO1,CID1120143,,,,,,,,,,,,,,,0.0,,
COC(=O)c1c(NC(=O)c2ccccc2)sc2c1CC(C)(C)OC2,CID898979,,,,,,,,,0.0,,,,,,0.0,,
CC(C)COc1ccc(C(=O)Nc2sc3c(c2C(=O)O)CC(C)(C)OC3)cc1,CID1219199,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)Nc2sc3c(c2C(=O)O)CC(C)(C)OC3)cc1,CID1021466,,,,,,,,,,,,,,0.0,0.0,,
CCOC(=O)c1c(NC(=O)c2ccc(C)cc2)sc2c1CC(C)(C)OC2,CID1896470,,,,,,,,,0.0,0.0,,,,,0.0,,
CCOC(=O)c1c(NC(=O)c2ccccc2C)sc2c1CC(C)(C)OC2,CID1366886,,,,,,,,,0.0,0.0,,0.0,,0.0,,,
CC1(C)Cc2c(sc(NC(=O)c3ccccc3)c2C(=O)O)CO1,CID817029,,,,,,,,,,,,,,,0.0,,
Cc1nccn1-c1cc(C(C)C)c(C#N)c2nc3ccccc3n12,CID661405,,0.0,0.0,0.0,,,0.0,0.0,,,,,,,,,
CCCc1cc(-n2ccnc2C)n2c(nc3ccccc32)c1C#N,CID661343,,0.0,0.0,,,,,,,,,,,,,,
CCOC(=O)CCc1c(C)c(C#N)c2nc3ccccc3n2c1-n1ccnc1,CID660272,0.0,,0.0,,,,0.0,,,,,0.0,,,,,
Cc1c(CCC(C)C)c(-n2ccnc2C)n2c(nc3ccccc32)c1C#N,CID988359,,,,,,,,,,,,0.0,,,,,
CCCc1cc(-n2ccnc2)n2c(nc3ccccc32)c1C#N,CID665077,,0.0,0.0,,,,0.0,0.0,,,,0.0,,,,,
CCOC(=O)CCc1c(C)c(C#N)c2nc3ccccc3n2c1-n1ccnc1C,CID660297,0.0,,,,,,,,,,,,,,,,
Cc1cc(-n2ccnc2)n2c(nc3ccccc32)c1C#N,CID726769,,,,,,,,,,,,0.0,,0.0,,,
CCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1-n1ccnc1C,CID3578825,,,,,,0.0,,,,,,,,,0.0,,
CC(=O)C1=C(C)NC(SCC(=O)c2ccc(C)cc2)=C(C#N)C1c1ccco1,CID2862220,0.0,0.0,,,,,,,,0.0,,,,,,,
CC(=O)C1=C(C)NC(SCC(=O)c2ccccc2)=C(C#N)C1c1ccco1,CID2862222,,,0.0,,,,,0.0,,,,,,,,0.0,
CC(=O)C1=C(C)NC(SCC(=O)c2ccc(F)cc2)=C(C#N)C1c1ccco1,CID2862219,,,,,,,0.0,,,,,,,,0.0,,0.0
CC(=O)C1=C(C)NC(SCC(=O)c2ccc(Cl)cc2)=C(C#N)C1c1ccco1,CID2862218,0.0,0.0,,0.0,0.0,,0.0,,,,,,,,,,0.0
CC(=O)C1=C(C)NC(SCC(=O)c2cc(Cl)ccc2Cl)=C(C#N)C1c1ccco1,CID2862215,0.0,,,,,,,,,,,,,,,,
CC(=O)C1=C(C)NC(SCC(=O)c2ccc(Cl)cc2Cl)=C(C#N)C1c1ccco1,CID2862214,0.0,,,,,,,,,,,,0.0,,,,
CCc1ccc(C(=O)CSC2=C(C#N)C(c3ccco3)C(C(C)=O)=C(C)N2)cc1,CID2862216,0.0,,,,,0.0,,0.0,,,,,,,,,
CC(=O)C1=C(C)NC(SCC(=O)c2ccc(Cl)c(Cl)c2)=C(C#N)C1c1ccco1,CID2862213,0.0,,,,,,,,,,,,0.0,,,,
COc1ccc(C2=[N+]([O-])C(C)(C)N(O)C2(C)C)cc1,CID595041,,,,,,0.0,,,,0.0,,,0.0,,,,
CN1C[N+]([O-])=C(c2ccccc2)C1(C)C,CID870960,,,,,,0.0,,,0.0,,,,0.0,,,0.0,
CCOc1ccc(C2=[N+]([O-])C(C)(C)N(O)C2(C)C)cc1,CID665437,0.0,,,0.0,,,,0.0,,,,,0.0,0.0,0.0,,
CCC1(C)N(O)C(C)(C)C(c2ccc(OC)cc2)=[N+]1[O-],CID2916991,,,,,,,,,,,,,0.0,,,,
C/C(=N\O)C1(C)N(O)C(C)(C)C(c2ccc(F)cc2)=[N+]1[O-],CID2871907,,,,,,,,,,,0.0,,,,,,
C/C(=N\O)C1(C)N(O)C(C)(C)C(c2ccc(Br)cc2)=[N+]1[O-],CID3242461,0.0,,,,,,,,0.0,,,,,,,,0.0
CC1(C)C(c2ccccc2)=[N+]([O-])CN1O,CID796149,,,0.0,0.0,,0.0,,,,,,,,,0.0,,
Cc1ccc(C2=[N+]([O-])C(C)(C)N(O)C2(C)C)cc1,CID589469,,,,,,,,,,,,,,0.0,,,
O=C(CCCOc1ccccc1)N1CCCCC1,CID2164024,,,,,,,,,0.0,0.0,,,,,,,
Cc1cc(Cl)ccc1OCCCC(=O)N1CCCCC1,CID2164796,,,,,,,,,,,,,,0.0,,,
Cc1cc(OCCCC(=O)N2CCCCC2)cc(C)c1Cl,CID1575795,,,,,,,0.0,,,0.0,,,0.0,0.0,,0.0,0.0
CC1CCN(C(=O)CCCOc2ccc(Cl)cc2)CC1,CID1565337,,,,,,,,,,0.0,,,,0.0,,,
O=C(CCCOc1ccc(Cl)cc1)N1CCCCC1,CID1565331,,,,,,,,,,0.0,0.0,,,0.0,,0.0,
CCC1CCCCN1C(=O)CCCOc1ccccc1,CID2914939,,,,,,0.0,,,0.0,,,,,,,,
CCOC(=O)C1CCN(C(=O)CCCOc2ccccc2)CC1,CID2913853,,,,,,,,,0.0,,,,,,0.0,0.0,
COC(=O)C1CCN(C(=O)CCCOc2ccccc2)CC1,CID2166232,,,,,,,0.0,,0.0,0.0,,,,,,0.0,
CCN(CC)C(=O)N1c2ccccc2CC(N(CC)CC)c2ccccc21,CID659721,,,,,,,,0.0,,,,,,,,,0.0
N#CSCC(=O)N1c2ccccc2CCc2ccccc21,CID1909653,,,,,,,,,,,,,,0.0,,,
CCOC(=O)Nc1ccc2c(c1)N(C(=O)N(C)C)c1ccccc1CC2,CID1129881,,,0.0,,,,,,,,,,0.0,,,,
O=C(O)CCCC(=O)NN1c2ccccc2CCc2ccccc21,CID758072,,,,,,,,,,,,,,,0.0,,
CCS(=O)(=O)Nc1ccc2c(c1)N(C(C)=O)c1ccccc1CC2,CID627403,,,0.0,,,,0.0,,,,,,,,,0.0,
CCOC1Cc2ccccc2N(C(N)=O)c2ccccc21,CID2847675,,,,,,,,,,0.0,,,,,,,
CCNCC(=O)N1c2ccccc2CCc2ccc(NC(C)=O)cc21,CID1858353,,,,,,,,,0.0,,,0.0,,,,,
CCOC(=O)Nc1ccc2c(c1)N(C(=O)OC)c1ccccc1CC2,CID658392,,0.0,,,,,,,,,,,,,,,
Nc1nc(-c2ccco2)nn1C(=O)c1ccccc1,CID828588,,,,,,,,,,,,0.0,,0.0,,,
CSc1nc(-c2ccco2)nn1C(=O)c1ccc(Cl)cc1,CID3586641,,,,,,,,,,,,,,,1.0,,
Nc1nc(-c2ccco2)nn1C(=O)c1ccc(Cl)cc1,CID828591,,,,,,,,,,,,,,,1.0,,
Cc1ccc(C(=O)n2nc(-c3ccco3)nc2N)cc1,CID828590,,,,,,,,,,,,0.0,,,,,
COc1ccc(C(=O)n2nc(-c3ccco3)nc2N)cc1,CID1084416,,,,,,,,,,,,0.0,,,,,
COc1ccc(C(=O)n2nc(-c3ccco3)nc2SC)cc1OC,CID976363,,0.0,,,0.0,,,,,,,0.0,1.0,,,,0.0
CSc1nc(-c2ccco2)nn1C(=O)c1ccc(C)cc1,CID1088428,0.0,0.0,,,0.0,,,,,,,,,,,,0.0
COc1ccccc1C(=O)n1nc(-c2ccco2)nc1N,CID969710,,,,0.0,,,0.0,,,,,0.0,0.0,,1.0,,
CCN(CC)C(=O)Nc1ccc2c(c1)nnn2C,CID653920,,0.0,,0.0,,,0.0,,,,,,0.0,,,,
C=CCNC(=O)c1ccc2c(c1)nnn2C,CID651388,,0.0,,,,,,,,,,0.0,,0.0,,,
CCNC(=O)NC(=O)C(C)On1nnc2ccc(S(=O)(=O)N(CC)CC)cc21,CID4276255,,,,,,,,,,,,,,,0.0,,
CC(=O)NNC(=O)CCn1nnc2ccccc21,CID863091,,,,,,,,,,,,,,0.0,,,
N#CCCn1nnc2ccccc21,CID243414,,0.0,0.0,0.0,,0.0,,0.0,,,0.0,,,,,,
Cn1nnc2cc(C(=O)NC(C)(C)C)ccc21,CID644913,,0.0,0.0,0.0,,,,0.0,,,,,0.0,,,,
CCCCN(CC(=O)NCCOC)C(=O)Cn1nnc2ccccc21,CID3212208,,,,,,,,,,,,,,,0.0,,
CC(C)NC(=O)c1ccc2c(c1)nnn2C,CID649613,,0.0,,,,,,,,,,,,0.0,,,
S=C(NCc1cccs1)Nc1cccc(Cl)c1Cl,CID970626,,,,,,,,,,,,,,,0.0,,
Cc1cccc(NC(=S)NCc2cccs2)c1C,CID800183,,,,,,0.0,,,,,,,,,,,
S=C(NCc1cccs1)Nc1ccccc1Cl,CID892696,,,,,,,,,,,,,,0.0,0.0,,
Cc1cc(Cl)ccc1NC(=S)NCc1cccs1,CID800555,,,,,,,,,,,,,,0.0,0.0,,
COCCN(C(=S)Nc1ccc(OC)cc1)C(C)c1cccs1,CID3559766,,,,,,,,,,,,,,0.0,,,
CCC(C)c1ccc(NC(=S)NCc2cccs2)cc1,CID2954698,,,,,,0.0,,,,,,,,,,,
Cc1c(Cl)cccc1NC(=S)NCc1cccs1,CID800646,,,,,,,,,,,,,,0.0,,,
COCCN(C(=S)Nc1ccc(C(C)C)cc1)C(C)c1cccs1,CID3528920,,,,,,,,,,,,,,,0.0,,
CCN(CC)CCNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C,CID5307459,,,0.0,,,0.0,,,,,,,,,,,
CCCCN(CC)CCNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C,CID5307632,,0.0,,0.0,,,,,,,,,,,0.0,,
COCCCNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C,CID5308238,,,,,,,,0.0,,,,,0.0,0.0,,,
CCCN(CCC)CCNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C,CID5307613,,,0.0,,,,,0.0,,,,0.0,0.0,,,,
CCCCN(CC)CCCNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C,CID5309613,,,,,,,0.0,,,,,,,,,,
CCCN(CCC)CCCNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C,CID5309618,,,0.0,,,,,0.0,,,,,,,,,
CN(C)CCNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C,CID5308466,,,,,,0.0,,,,,,,,,,,0.0
CCN(CC)CCCNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C,CID5307332,,0.0,,,,,,0.0,,,,,,,0.0,,
CCCC(=O)NC(c1ccc(OC)c(OC)c1)c1c(O)ccc2ccccc12,CID2876806,,,,,,0.0,,,,,,,,,,,
CC(C)CNC(=O)CC(c1ccccc1)c1c(O)ccc2ccccc12,CID2849137,,,,,,,,,,0.0,0.0,,,,0.0,,
CCC(=O)NC(c1ccc([N+](=O)[O-])cc1)c1c(O)ccc2ccccc12,CID2877063,,,,,,,,,,,,0.0,,,,,
CCCC(=O)NC(c1ccc(C)cc1)c1c(OC(C)=O)ccc2ccccc12,CID2876707,,,,,,0.0,,,,,,,,,,,
CC(=O)NC(c1ccc(C)cc1)c1c(OC(C)=O)ccc2ccccc12,CID3129274,,,,,,0.0,,,,,,,,,,,
NC(=O)NC(c1ccccc1)c1cccc2ccccc12,CID2851554,,,,,,,,,,0.0,,,,,,,
CCCCC(=O)NC(c1cccc([N+](=O)[O-])c1)c1c(OC(C)=O)ccc2ccccc12,CID3129267,,,,,,,,,,0.0,,,,,,,
CC(C)C(=O)NC(c1ccc([N+](=O)[O-])cc1)c1c(O)ccc2ccccc12,CID2876963,,,,,,,,,,,,0.0,,,,,
COc1cc(CC(=O)NCc2ccc3c(c2)OCO3)cc(OC)c1OC,CID2081459,,,,,,,,,,,,,0.0,,,0.0,
O=C(O)CC(NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2,CID5296133,,,,,,,,,,,,,,,0.0,,
CC(=O)OC(C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1Cl,CID644839,,,,0.0,,0.0,,,,,,,0.0,,,,0.0
COc1ccc(CC(=O)NCc2ccc3c(c2)OCO3)cc1,CID754514,,,,,,0.0,,,,,0.0,,,,,,
O=C(Cc1ccccc1)NCc1ccc2c(c1)OCO2,CID877843,,,,,,,,,0.0,0.0,0.0,,,,,,
O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1ccc2c(c1)OCO2,CID882131,,,,,,,,,,,,,,,0.0,,
COc1ccccc1CC(=O)NCc1ccc2c(c1)OCO2,CID2905613,,,,,,,,,,0.0,,,,,,0.0,
Cc1ccc(CC(=O)NCc2ccc3c(c2)OCO3)cc1,CID890591,,,,,,,,,,0.0,0.0,,,,,,
CCCNCCC(c1ccco1)c1ccccc1OC,CID3972597,,,,,,,,,,,0.0,,,,,,
CCN(CC)C(=O)CC(c1ccccc1)c1ccco1,CID2954935,,,,,,0.0,,,0.0,0.0,0.0,,,,,,
COC(=O)c1ccc(Cc2ccccc2)o1,CID766979,,,,,,,,,0.0,,0.0,,,,,,
COc1ccccc1C(CC(N)=O)c1ccco1,CID3152219,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C(CCN)c2ccco2)cc1,CID2771861,0.0,,,,,,,,,0.0,,,,,,,
NC(=O)CC(c1ccccc1)c1ccco1,CID2940074,,,,,,0.0,,,,,0.0,0.0,,,,,
CCN(CC)C(=O)CC(c1ccc(F)cc1)c1ccco1,CID2946691,,,,0.0,,,,0.0,,,,,,,,,
CCC(=O)NCCC(c1ccco1)c1ccccc1OC,CID665041,,,,,,,0.0,,,0.0,,,,,,0.0,
CCCOc1ccc(OCCSc2ncccn2)cc1,CID2199231,0.0,,0.0,,,,0.0,0.0,,,,0.0,,,,,0.0
Nc1cc(N)nc(SCCOc2ccccc2F)n1,CID1794610,0.0,,,,,,,,,0.0,,,,,,,
CCC(=O)c1ccc(OCCSc2ncccn2)cc1,CID2199948,,,,,,,0.0,0.0,,,,0.0,0.0,,,,0.0
COc1ccc(OCCSc2ncccn2)cc1,CID2183617,,0.0,0.0,0.0,,,,,,,,0.0,0.0,,,,0.0
Nc1cc(N)nc(SCCOc2ccccc2)n1,CID2291042,,,,0.0,,,,,,0.0,,,,,0.0,,
Clc1ccc(OCCSc2ncccn2)cc1,CID2184843,,,,,,,,,,,,0.0,,,,,
COc1ccccc1OCCSc1nc(N)cc(N)n1,CID3142408,,,,,,,,,,0.0,0.0,,,,,,
Brc1cccc(OCCSc2ncccn2)c1,CID2086774,,,,,,,,,,,,,,0.0,,,
COc1ccc(NC(=O)c2sccc2C)cn1,CID2466273,,,,,,,,,,,,,,,0.0,,
CCCC(=O)Nc1ccc(NC(=O)c2cccs2)cn1,CID649903,,,0.0,,0.0,,0.0,0.0,,0.0,,0.0,0.0,,,0.0,0.0
CCCC(=O)Nc1cc(C)c(NC(=O)c2cccs2)cn1,CID1452776,,,,,,,,,,,,,,0.0,,,
CCCCC(=O)Nc1ccc(NC(=O)c2cccs2)cn1,CID3213151,,,,,,,,,,0.0,0.0,,,,,,
O=C(Nc1cccnc1)c1cccs1,CID790407,,0.0,0.0,0.0,0.0,,,,,,,,0.0,,0.0,,0.0
CC(C)C(=O)Nc1ccc(NC(=O)c2cccs2)cn1,CID653738,,,,0.0,0.0,,,,,0.0,,,0.0,,,0.0,0.0
COc1ccc(NC(=O)c2cc(Br)c(Br)s2)cn1,CID2093042,,,,,,,,,,,,,,0.0,,,
O=C(Nc1cccnc1)c1ccc(Br)s1,CID1244354,,,,,,,,,0.0,,,,,,,,0.0
CCOc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4Cl)nc3c2)cc1,CID5341791,,,,,,0.0,,,,,,,,,,,
COc1cc(OC)cc(C(=O)Nc2ccc3oc(-c4ccccc4F)nc3c2)c1,CID1015782,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(F)cc4Cl)nc3c2)cc1[N+](=O)[O-],CID1359656,,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1ccccc1F,CID652365,,,,,,,,,,,,0.0,,,,,
CCOc1cc(OCC)cc(C(=O)Nc2ccc3oc(-c4ccccc4F)nc3c2)c1,CID1363614,,,,,,0.0,,,,,,,,,,,
CCOc1cc(OCC)cc(C(=O)Nc2ccc3oc(-c4cccc(F)c4)nc3c2)c1,CID1363808,,,,,,0.0,,,,,,,,,,,
COc1ccccc1C(=O)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1,CID1101504,,,,,,,,0.0,,,,0.0,,,,,
COc1ccc(C(=O)Nc2ccc3oc(-c4cccc(F)c4)nc3c2)cc1OC,CID1114153,,,,,,,0.0,,,,,,,,,,
NC(=O)CSc1oc(-c2cccs2)nc1S(=O)(=O)c1ccccc1,CID2052987,,,,,0.0,,,,,,,,,,,,
CCSc1oc(-c2cccs2)nc1S(=O)(=O)c1ccccc1,CID2052988,,,,,0.0,,,,0.0,,,,,,,,
COCCNc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(C)cc1,CID2219675,,,,,,,,,,,,,,0.0,0.0,,
C=CCNc1oc(-c2cccs2)nc1S(=O)(=O)c1ccccc1,CID2219672,,,,,,,,,,,,,,0.0,0.0,,
CCCCNc1oc(-c2cccs2)nc1S(=O)(=O)c1ccccc1,CID2219670,,,,,,0.0,,,0.0,0.0,0.0,,,0.0,,,
Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2NCCCN(C)C)cc1,CID1741685,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2SCC(N)=O)cc1,CID2052992,,,,,0.0,,,,,,,,,,,,
COCCCNc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(C)cc1,CID2219674,,,,,,,,,,,,,,0.0,0.0,,
CCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2cccs2)cc1,CID3243492,,,,,0.0,,0.0,,0.0,,0.0,,0.0,,,,
Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2cccs2)cc1F,CID3245041,,,,,0.0,,,,,,,,,,,,
CCOC(=O)c1cccc(NC(=O)CNS(=O)(=O)c2cccs2)c1,CID3239211,,,0.0,,0.0,,,,,0.0,,,,,,,
COc1ccc(NC(=O)CN(C)S(=O)(=O)c2cccs2)cc1,CID3241065,,,,,0.0,0.0,,,0.0,0.0,,,,,0.0,,
COc1ccc(NC(=O)CNS(=O)(=O)c2cccs2)cc1,CID3240498,,,,,0.0,,,,,0.0,0.0,,,,,,
CCOc1ccc(OCC)c(NC(=O)CNS(=O)(=O)c2cccs2)c1,CID3245172,,,0.0,,0.0,0.0,,,,,,,0.0,,,,
COc1ccc(C)cc1NC(=O)CN(C)S(=O)(=O)c1cccs1,CID3237384,,,,,0.0,,,,0.0,,0.0,,,,,,
Cc1ccc(NC(=O)CNS(=O)(=O)c2cccs2)cc1F,CID3238020,,,,,0.0,,,,,,0.0,,,,,0.0,
CCn1c(C(Cc2ccccc2)NC(=O)COC)nc2ccccc21,CID4652198,,0.0,,,0.0,,,,,,,,,,,,
OC(Cc1nc2ccccc2[nH]1)c1ccccc1Cl,CID3243496,0.0,,,,,0.0,,,,,,,0.0,,,0.0,0.0
Cn1c(CC(O)c2ccccc2)nc2ccccc21,CID3113713,,,,,,0.0,,,,,,,,,,,
COc1ccc(CC(C#N)(CO)c2nc3ccccc3[nH]2)cc1,CID3459751,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(C(O)Cc2nc3ccccc3n2C)cc1,CID589610,,,,,,,,,,0.0,,,,,,,
COc1ccccc1C(O)Cc1nc2ccccc2n1C,CID589609,,,,,,,,,,0.0,,,,,,,
COc1ccc(C(O)Cc2nc3ccccc3n2C)cc1OC,CID3495865,,,,,0.0,,0.0,0.0,,,,,,,,,
Nc1ccc2nc(CCc3ccccc3)[nH]c2c1,CID763058,,,,,,,,,,,,,,0.0,,,
COc1ccc(Cl)cc1S(=O)(=O)NCc1cccs1,CID1259451,,,,,,,,,0.0,,,,,,,,
CCOC(=O)CCN(Cc1cccs1)S(=O)(=O)c1ccc(Cl)cc1,CID3240951,,,,,,0.0,,,,,,,,,,,
COc1ccc(S(=O)(=O)N(C)Cc2cccs2)cc1Br,CID2452690,,,,,,,,,0.0,,,,,,,,
COc1cc(C)c(S(=O)(=O)NCc2cccs2)cc1C,CID1256404,,,0.0,,,,0.0,,,,,,,0.0,,,
COc1ccc(S(=O)(=O)NCc2cccs2)cc1,CID2169350,,,,,,0.0,,,,,,,,0.0,,,
O=C(O)c1cccc(S(=O)(=O)NCc2cccs2)c1,CID647810,,,,,0.0,,0.0,,,,,,,,,,
CCOc1ccc(S(=O)(=O)NCc2cccs2)cc1,CID1256620,,,,,,,,,,,0.0,,,,,,
CCOc1cc(S(=O)(=O)NCc2cccs2)ccc1Cl,CID1259590,,,,,,,,,0.0,,,,,0.0,,0.0,
CCOC(=O)c1cnn(-c2ccccc2)c1-n1cccc1,CID2765903,,,,,,,,,,,0.0,,,,0.0,,
O=C(O)c1cnn(-c2ccccc2)c1-n1cccc1,CID2765904,,,,,,,,0.0,,,,,,,,,
CCN(CC)C(=O)CSCc1cnn(-c2ccccc2)c1-n1cccc1,CID4259934,,,,,,0.0,,,,,,,,,,,
COC(=O)c1cnn(-c2ccc(C)c(C)c2)c1-n1cccc1,CID3237218,0.0,,,0.0,,,,,,,,,,,,,
CNC(=O)CSCc1cnn(-c2ccccc2)c1-n1cccc1,CID4063705,,,,,,,,,,,0.0,,,,,,
O=C(O)CSCc1cnn(-c2ccccc2)c1-n1cccc1,CID3244520,,0.0,,,0.0,,,,,,,,0.0,,,0.0,
NNC(=O)c1cnn(-c2ccccc2)c1-n1cccc1,CID2767863,,,,,,,,,,,,,,,0.0,,
COC(=O)c1c(C)nn(-c2ccccc2)c1-n1cccc1,CID9550534,,,,,,0.0,,,,,,0.0,,,,,
Cc1cc(OCC(=O)Nc2ccncc2)ccc1[N+](=O)[O-],CID1247033,,,,,,,,,,,,,,,0.0,,
O=C(COc1ccc(Br)cc1)Nc1ccncc1,CID748737,,,,,,,,,,,0.0,0.0,,,,,
Cc1cc(OCC(=O)Nc2ccncc2)ccc1Br,CID877332,0.0,,,,,,0.0,,,,,,,,,,0.0
O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccncc1,CID977929,,,,,,,0.0,,,,,,,,,,
O=C(COc1ccccc1)Nc1ccncc1,CID814784,,,,,,,,,,,,,,,0.0,,
CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccncc1,CID2896212,0.0,,,,,,,,,,,,,,,,0.0
Cc1cc(OCC(=O)Nc2ccncc2)cc(C)c1Br,CID803320,,,,,,,,,0.0,,,,,,,,
Cc1cc(OCC(=O)Nc2ccncc2)c(C)cc1Br,CID1254286,,,,,,,,,0.0,,,0.0,,,,,
Nc1nc2nccc(-c3ccc(Cl)cc3)n2n1,CID660910,,0.0,,,,,,,,,,,,,0.0,0.0,
Cc1cc(C)c(-c2cc(C)nc3ncnn23)c(C)c1,CID1255159,,,,,,,,,,,,,,0.0,,,
Cc1ccc(-c2cc(C)nc3ncnn23)cc1,CID930473,,0.0,0.0,0.0,,,,0.0,,,,0.0,0.0,,0.0,,
CSc1nc2nc(C)cc(-c3ccccc3)n2n1,CID1255801,,0.0,,0.0,,,0.0,,,0.0,,,,,0.0,0.0,
Cc1ccc(-c2cc(C)nc3nc(N)nn23)cc1,CID1244908,,,,,,,,,,,,0.0,,,,,
COc1ccc(-c2cc(C)nc3nc(N)nn23)cc1,CID974683,,,,,,,,,,,,0.0,,,,,
Cc1cc(-c2ccc(Cl)cc2)n2nc(N)nc2n1,CID974684,0.0,0.0,,,,,,,,,,,,,0.0,,
CSc1nc2nccc(-c3ccc(Cl)cc3)n2n1,CID1487952,,,,,,,,,,0.0,0.0,,,,,,
CCc1ccccc1NC(=O)c1onc(C)c1Cl,CID5307140,,0.0,,,,,0.0,0.0,0.0,,,,,,,0.0,
Cc1noc(C(=O)Nc2ccccc2C(F)(F)F)c1Cl,CID3242627,,,,,,,,,,,,,,,,0.0,0.0
CSc1ccccc1NC(=O)c1onc(C)c1Cl,CID5307577,0.0,0.0,,,,,,,,,,,0.0,,,,
COc1cc(NC(=O)c2onc(C)c2Cl)c(OC)cc1Cl,CID5309381,0.0,0.0,,,,,,,,,,,,,,,
CC(=O)c1cccc(NC(=O)c2onc(C)c2Cl)c1,CID9550181,,,,,,,,,,0.0,,,,,,,
Cc1ccc(NC(=O)c2onc(C)c2Cl)cc1,CID9550985,,,,,,0.0,,,,0.0,,,,,,,
CCc1ccc(NC(=O)c2onc(C)c2Cl)cc1,CID9550988,,,,,,,,,0.0,,,,,,,,
COc1ccc(NC(=O)c2onc(C)c2Cl)cc1OC,CID9550987,,,,,,,,,0.0,,,,,,,,
CCOc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1O,CID877629,,,,,,0.0,,,,,,,,,,,
COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1O,CID1359962,,,,,,,,,,,,,,,0.0,,
O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(O)cc1,CID1731114,,,,,,0.0,,,,,,,,,,,
CCN(CC)c1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1,CID872176,,,,,,0.0,,,,,,,,,,,
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1,CID2247625,,,,,,0.0,,,,,,,,,,,
COc1ccc(OC)c(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1,CID704466,,,,,,0.0,,,,,,,,,,,
COc1cccc(/C=C2/C(=O)NN(c3ccc(C)c(C)c3)C2=O)c1,CID2258498,,,,,,0.0,,,,,,,,,,,
Cc1ccc(N2NC(=O)/C(=C/c3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1Cl,CID1361970,,,,,,0.0,,,,,,,,,,,
CCN(CC)c1ccc2c(C)c(-c3ccc(N)cc3)c(=O)oc2c1,CID659315,,,0.0,,,,,0.0,,,,,,,,,
CCC(=O)Nc1ccc(-c2cc3ccccc3oc2=O)cc1,CID1141750,,,,,,,,,,,,,,0.0,,,
CN(C)C(=O)COc1ccc2cc(-c3ccccc3)c(=O)oc2c1,CID1242771,,,,,,,,,,,,,,,0.0,,
CCC(=O)Nc1cccc(-c2cc3ccccc3oc2=O)c1,CID1141748,,,,,,,,,,,,,,0.0,,,
COc1cccc2cc(-c3ccccc3)c(=O)oc12,CID2195449,,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2c(C)c3ccc(OCC(C)=O)cc3oc2=O)cc1,CID7198315,,,,,,,,,,,,,,0.0,,,
COc1cc(NC(C)=O)ccc1-c1cc2ccccc2oc1=O,CID1131925,,,,,,,,,,,,,,,0.0,,
O=c1oc2ccccc2cc1-c1ccccc1,CID70385,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1,CID2228514,0.0,,,,,,,,,0.0,,,0.0,0.0,,,0.0
O=S(=O)(Cc1ccccc1)N1CCCCC1,CID273955,,,,,,,,,,,,,,0.0,,,
COC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1,CID646167,,,,,,,,0.0,,,,0.0,,0.0,,0.0,
CCOC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1,CID772060,,,,,,,,,0.0,,,,,,0.0,,
CCOC(=O)C1CCCN(S(=O)(=O)Cc2ccccc2)C1,CID654124,,,,0.0,,,,,0.0,,,,,,,0.0,0.0
CC1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1,CID2974425,,,,,,,,,,0.0,,,,,,,
O=S(=O)(Cc1ccccc1Cl)N1CCCCC1,CID714986,,0.0,,0.0,,,,,,,,,,0.0,,,
CC1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1,CID715211,,,,0.0,,,,,,,,,,0.0,,,0.0
O=C(c1ccco1)N1CCN(Cc2ccc(Cl)cc2)CC1,CID828556,0.0,,,0.0,,0.0,,,,0.0,,,0.0,,,0.0,0.0
COc1ccc(CN2CCN(C(=O)c3ccco3)CC2)cc1,CID648203,,0.0,,0.0,,0.0,0.0,0.0,,,,,0.0,,,,
CCOCCCNC(=O)C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1,CID3240415,,0.0,,,,,,,,,,,,,,0.0,0.0
COc1cccc(CN2CCN(C(=O)c3ccco3)CC2)c1OC,CID828806,,,,0.0,,,,0.0,,,,,,,,,
O=C(c1ccco1)N1CCN(Cc2ccccc2C(F)(F)F)CC1,CID780136,,,,0.0,,,,,,,,,,,,,0.0
Cc1ccc(CN2CCN(C(=O)c3ccco3)CC2)cc1,CID780086,,,,,,,,,,,,0.0,,,,,
O=C(c1ccco1)N1CCN(Cc2cccc(F)c2)CC1,CID828820,,0.0,,0.0,,,0.0,,,,,,,,,,
CCOc1cc(CN2CCN(C(=O)c3ccco3)CC2)ccc1OC,CID787169,,,,0.0,,,,,,,,,0.0,,,,
O=C(CSc1nc(=O)c2ccccc2[nH]1)c1ccc(O)c(O)c1,CID706562,,,,,0.0,,0.0,0.0,,,,,,,,0.0,
CC(C)(C)c1ccc(C(=O)CSc2nc(=O)c3ccccc3[nH]2)cc1,CID2368588,,,,,,,,,,,,0.0,,,0.0,,
O=C(CSc1nc(=O)c2ccccc2[nH]1)c1ccccc1,CID694608,,,,,,,,,,,,0.0,,,,,
Cc1ccc(C(=O)CSc2nc(=O)c3ccccc3[nH]2)cc1C,CID694613,,,,,,,,,,,,,,0.0,,,
CCc1ccc(C(=O)CSc2nc(=O)c3ccccc3[nH]2)cc1,CID694611,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(=O)CSc2nc(=O)c3ccccc3[nH]2)cc1,CID694619,,,,,,0.0,,,,,,,,,,,
Cc1cc(C)c(C(=O)CSc2nc(=O)c3ccccc3[nH]2)cc1C,CID2096671,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C(=O)CSc2nc(=O)c3ccccc3[nH]2)cc1,CID742750,,,,,,,,,,0.0,,0.0,,,,,
COc1ccc(NC(=O)Nc2nccs2)cc1,CID771015,,,,,,,,,,0.0,,,,,,,0.0
CCOC(=O)Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1,CID735999,,,,,,,,,,,,,,,0.0,,
Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1,CID727855,,0.0,,0.0,,,,,,0.0,0.0,,,,,,0.0
CC(C)(C)c1nc(NC(=O)Nc2ccccc2)sc1Br,CID1488161,,,,,,,,,,,,,,0.0,,,
COc1ccccc1NC(=O)Nc1nc(C(C)(C)C)cs1,CID2554096,,,,,,,,,,,,,,,0.0,,
O=C(Nc1cccc(Cl)c1)Nc1nccs1,CID178054,,0.0,0.0,,,,,,,,,,0.0,,0.0,,0.0
Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1,CID727779,,,,,,,,,,,,,,,,,0.0
CCOC(=O)Cc1csc(NC(=O)Nc2ccccc2)n1,CID728643,0.0,,0.0,,0.0,,0.0,,0.0,0.0,,0.0,,,,,
COc1cccc(NC(=O)COc2ccc(N3CC(C(=O)NCC(C)C)CC3=O)cc2)c1,CID2954467,,,0.0,,,,,,0.0,,,,,,,,0.0
CCCNC(=O)C1CC(=O)N(c2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)C1,CID2942939,,,,,,,,0.0,,,,,,,,,0.0
CCCNC(=O)C1CC(=O)N(c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)cc2)C1,CID3154408,,,0.0,,,,,0.0,0.0,,,,,,,,0.0
C=CCNC(=O)C1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)C1,CID650718,,,0.0,0.0,,0.0,,,,,,,,,,,0.0
O=C(COc1ccc(N2CC(C(=O)O)CC2=O)cc1)Nc1cccc(C(F)(F)F)c1,CID2970140,,,,,,,,,,,,,,,,,0.0
C=CCNC(=O)C1CC(=O)N(c2ccc(OCC(=O)Nc3cccc(OC)c3)cc2)C1,CID2942930,,,,,,,,,0.0,,,,,,,0.0,
NC(=O)C1CC(=O)N(c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)C1,CID651402,,,,,,,,,0.0,,,,,,,,0.0
C=CCNC(=O)C1CC(=O)N(c2ccc(OCC(=O)Nc3ccccc3)cc2)C1,CID2943521,,,,,,,,,0.0,,,,,,,,
CN(C)CCNc1nc(S(=O)(=O)c2ccccc2)c(Cl)s1,CID2112344,,,,,,,,,,,,,,0.0,,,
CCOc1nc(S(=O)(=O)c2ccc(C)cc2)c(Cl)s1,CID726646,,,,,,0.0,,,0.0,0.0,,,,,0.0,,
Cc1ccc(S(=O)(=O)c2nc(NN(C)C)sc2Cl)cc1,CID2147159,,,,,,,,,,,,,,0.0,,,
CSc1nc(S(=O)(=O)c2ccc(C)cc2)c(Cl)s1,CID887396,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)c2nc(NCCN(C)C)sc2Cl)cc1,CID1301648,,,,,,,,,0.0,,0.0,,,0.0,0.0,,
CC(=O)Nc1nc(S(=O)(=O)c2ccc(C)cc2)c(Cl)s1,CID888088,,,,,,,,,0.0,,,,,0.0,,,
COCCN(CCOC)c1nc(S(=O)(=O)c2ccc(C)cc2)c(Cl)s1,CID2645722,,,,,,,,,0.0,,,,,,,,
Cc1ccc(S(=O)(=O)c2nc(S(C)(=O)=O)sc2N(C)C)cc1,CID1295310,,,0.0,,0.0,,0.0,,0.0,,,,0.0,,,,
COc1ccc(OC)c(/C=C/C(=O)OCC(=O)Nc2cccc(C(C)=O)c2)c1,CID2382418,,,,,,,,,,,,,,,0.0,,
COc1cccc(NC(=O)COC(=O)/C=C/c2ccc(Cl)cc2Cl)c1,CID2343044,,,,,,,,,,,,,,0.0,,,
COc1cccc(/C=C/C(=O)OCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)c1OC,CID5993138,,,,,,,,,,,,,,,0.0,,
COc1ccc(/C=C(\C#N)C(=O)OCC(=O)Nc2c(C)cccc2C)cc1,CID2355850,,,,,,,,,,,,,,,0.0,,
O=C(COC(=O)/C=C/c1cccc(F)c1)Nc1ccccc1,CID2348320,,,,,,,,,,,,,,0.0,,,
CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CID2387412,,,,,,,,,,,,,,0.0,,,
COc1ccccc1NC(=O)COC(=O)/C=C/c1ccccc1[N+](=O)[O-],CID2347781,,,,,,,,,,,,,,,0.0,,
CCN(C(=O)COC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccccc1,CID2119112,,,,,,,,,,,,,,,0.0,,
COc1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1,CID1068594,0.0,0.0,,,,,0.0,,,0.0,,,0.0,,,,
Cc1ccc(C)c(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1,CID1073722,,,,,,0.0,,,,,,,,,,,
COc1ccc(S(=O)(=O)N(C)c2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC,CID1075678,,,,,0.0,,,,,,0.0,,,,,0.0,0.0
CCOc1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1,CID2862634,,,,,,0.0,,,,,,,,,,,
Cc1cc(F)ccc1S(=O)(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O,CID2133626,,0.0,,,0.0,,,,,,,,0.0,,,,0.0
COc1cc(Br)c(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC,CID990968,,,,,,,,,0.0,,,,,,,0.0,
COc1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC,CID994221,,,,,,,,,,,,,0.0,,,0.0,
CC(=O)Nc1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1,CID1143175,,,0.0,0.0,,,,,,,,,,,,,0.0
COc1ccc(N2CCN(c3oc(COc4ccc(Cl)cc4Cl)nc3C#N)CC2)cc1,CID664651,0.0,,,,,,,,,,,,0.0,,,,
COc1ccc(N2CCN(c3oc(COc4ccccc4)nc3C#N)CC2)cc1,CID649012,,0.0,,,,,,0.0,0.0,0.0,,,,,,,0.0
COc1ccc(N2CCN(c3oc(COc4ccc(Cl)cc4)nc3C#N)CC2)cc1,CID662366,0.0,,,,,0.0,,,,,,,,,,,0.0
COc1ccc(N2CCN(c3oc(COc4ccccc4Cl)nc3C#N)CC2)cc1,CID662883,,,0.0,,,,,,,,,,,,,,
N#Cc1nc(COc2ccc(Cl)cc2Cl)oc1N1CCN(c2ccccc2)CC1,CID663567,,,,,,,,,0.0,,,,,,,,
N#Cc1nc(COc2ccccc2)oc1N1CCN(c2cccc(Cl)c2)CC1,CID1287458,,0.0,,,0.0,,,,,,,,,,,,0.0
COc1ccc(OCc2nc(C#N)c(N3CCN(c4ccc(OC)cc4)CC3)o2)cc1,CID1080239,0.0,0.0,0.0,,,,,,0.0,,0.0,0.0,0.0,,,,
N#Cc1nc(COc2cccc(Cl)c2)oc1N1CCN(c2ccccc2)CC1,CID664524,0.0,0.0,,,0.0,,0.0,,,,,,,,,,0.0
CCOC(=O)C1=C(C)N(C)C(=O)NC1c1ccc(C)s1,CID2943964,,,0.0,0.0,0.0,,0.0,0.0,0.0,,,,,,,,
COC(=O)C1=C(C)NC(=O)NC1c1sccc1C,CID2891806,,,,,,0.0,,,,,,,,,,,
CC(=O)C1=C(C)NC(=O)NC1c1cccs1,CID2837422,,,,,,,,,,,,,,,0.0,,
CC1=C(C(=O)OC(C)C)C(c2ccc(Br)s2)NC(=O)N1C,CID2882897,0.0,,,,,,,,0.0,,,,,,,0.0,0.0
COCCN1C(=O)NC(c2cccs2)C(C(=O)OC)=C1C,CID9548405,,,,,,,,,,,,,,,0.0,,
CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(Br)s1,CID2895957,,,,,,,,,0.0,,,,,0.0,,,0.0
COCCOC(=O)C1=C(C)NC(=O)NC1c1cccs1,CID2874229,,0.0,,0.0,0.0,0.0,0.0,,,,,,,,,0.0,
COC(=O)C1=C(C)C(c2cccs2)NC(=O)N1C,CID2999918,,,,,,,0.0,0.0,,,,,,,,,
CCOC(=O)C(C)Sc1ncnc2c1nnn2-c1ccc(F)cc1,CID3238861,,0.0,,,,,0.0,,,,,,0.0,,,0.0,
CCN(CC)C(=O)CSc1ncnc2c1nnn2-c1ccc(OC)cc1,CID3241654,,,0.0,0.0,0.0,,,,,,,,,,,,
CCN(CC)C(=O)CSc1ncnc2c1nnn2-c1ccc(F)cc1,CID3239762,,,,,0.0,,,,,,,,0.0,,,,
CCOC(=O)C(CC)Sc1ncnc2c1nnn2-c1ccc(F)cc1,CID3236943,,,,,,,,,,,,,0.0,,,,
CC(=O)C(Sc1ncnc2c1nnn2-c1ccc(F)cc1)C(=O)N(C)C,CID3236117,,,,0.0,,,0.0,,,,,,,,,,
COC(=O)C(C)Sc1ncnc2c1nnn2-c1ccc(F)cc1,CID3238324,,0.0,,,,,,,,,0.0,,,,,,
CCC(Sc1ncnc2c1nnn2-c1ccc(F)cc1)C(=O)OC,CID3240276,,0.0,,,,,,,,,,,0.0,,,0.0,
CCOC(=O)CNC(=O)CSc1ncnc2c1nnn2-c1ccc(F)cc1,CID3243064,,0.0,,,0.0,,,,,,,,0.0,,,,
CCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID659779,,,,,,,,,0.0,0.0,,,,,,,
CC(C)OC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID660491,0.0,,0.0,,,,0.0,,,,0.0,,0.0,,,,
CC(C)COC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID662043,0.0,,,,,,0.0,,,,0.0,0.0,,,,,
COC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID660520,0.0,,0.0,,,,,0.0,0.0,,0.0,,,,,,
c1ccc2nc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)cnc2c1,CID2764807,,,,,,,,,,,,,,0.0,,,
COCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID659519,,,,,,,0.0,,,0.0,,,,,,,
CCCCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID660341,0.0,,,,,,,,,,0.0,0.0,,,,,
C=CCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID660507,0.0,,,,,,0.0,,,,,,,,0.0,,
C=C(Cl)COC(=O)C1C2C=CC(C2)C1C(=O)O,CID658429,,,,,,,0.0,,,,,,,,,,
CCCCC(CC)CNC(=O)C1C2C=CC(C2)C1C(=O)O,CID2932464,,,,,,,,,,0.0,,,,,,,
CC(=O)NCC1=C(NC(C)=O)C2CC1C(C)(C)C2C,CID584941,,,,,,,0.0,0.0,,,,,,,,0.0,
CCCCS(=O)(=O)/C=C\C1C2C=CC(C2)C1S(=O)(=O)CCCC,CID5286931,,,,,,0.0,,,,,,,,,,,
C#CCOC(=O)C1C2C=CC(C2)C1C(=O)O,CID2919185,,,,,,,,,,,,,0.0,,,,0.0
CCCCNC(=O)C1C2C=CC(C2)C1C(=O)O,CID3262185,,,,,,,,,,,,,,,0.0,,
O=C(NO)C1CC2C=CC1C2,CID2999321,,,,,,,,,,,,,0.0,,,,
CC(C)CNC(=O)C1C2C=CC(C2)C1C(=O)O,CID652879,,,,0.0,,,,0.0,,0.0,,0.0,0.0,,,,0.0
COC(=O)c1cccc(NC(=O)c2cc3sccc3n2C)c1,CID655074,0.0,,,0.0,0.0,,,,,,,0.0,,,,,0.0
COC(=O)c1ccc(NC(=O)c2cc3sccc3n2C)cc1,CID3225246,,,,,,0.0,,,,,0.0,0.0,,,,,
COC(=O)c1ccccc1NC(=O)c1cc2sccc2n1C,CID649869,0.0,,0.0,0.0,0.0,,,,,,0.0,,,0.0,,,0.0
CCc1ccccc1NC(=O)c1cc2sccc2n1C,CID3225231,,,0.0,,0.0,0.0,0.0,,,,,,,,,,
COc1cc(NC(=O)c2cc3sccc3n2C)cc(OC)c1,CID649345,,0.0,0.0,,0.0,,,,,,,,,,,,
CCOC(=O)c1cccc(NC(=O)c2cc3sccc3n2C)c1,CID651357,0.0,,0.0,0.0,,,,0.0,,,,0.0,,0.0,,,
CCOC(=O)c1ccccc1NC(=O)c1cc2sccc2n1C,CID648480,0.0,,,,,,0.0,0.0,,,0.0,0.0,,,,,0.0
COc1ccc(OC)c(NC(=O)c2cc3sccc3n2C)c1,CID651130,0.0,,,0.0,0.0,,,0.0,,,,,,,,,
COc1ccc(CCn2c(C)cc(C(=O)CCl)c2C)cc1OC,CID2526884,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C)n1C(Cc1ccccc1)C(=O)O,CID654761,,,,0.0,,,0.0,,,,,0.0,,0.0,,0.0,
COc1ccc(CCn2c(C)ccc2C)cc1OC,CID660580,,,,,,,0.0,,,,,,,,,,
CCOC(=O)c1cc(C)n(CCc2ccccc2)c1C,CID758249,,,,0.0,,,0.0,0.0,0.0,0.0,,,0.0,0.0,,0.0,
Cc1cc(C(=O)CCl)c(C)n1CCc1ccccc1,CID1536623,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1c(C(=O)OCC)c(C)n(CCc2ccc(OC)c(OC)c2)c1C,CID1418715,,,,,,,,,,,,,,,0.0,,
CCC(C)NC(=O)C(Cc1ccccc1)n1cccc1,CID5309925,,,,,,,,,,,,,0.0,,,,
O=C(O)C(Cc1ccccc1)n1cccc1,CID3245144,,,,0.0,,,,0.0,,0.0,,,,,,,
COc1ccccc1Nc1nc(-c2sc(NC(=O)c3ccc([N+](=O)[O-])cc3)nc2C)cs1,CID11958822,,,,,,,,,,,,,,,0.0,,
COc1ccc(Cl)cc1Nc1nc(-c2sc(NC(=O)c3ccccc3)nc2C)cs1,CID1144671,,,,,,0.0,,,,,,,,,,,
Cc1ccc(Nc2nc(-c3sc(NC(=O)c4ccccc4)nc3C)cs2)cc1,CID11958571,,,,,,0.0,,,,,,,,,,,
COc1cccc(Nc2nc(-c3sc(NC(=O)c4ccccc4)nc3C)cs2)c1,CID11958570,,,,,,,,,,,,,,0.0,,,
CCOc1ccccc1Nc1nc(-c2sc(NC(=O)c3ccccc3)nc2C)cs1,CID1144666,,,,,,0.0,,,,,,,,,,,
COc1ccccc1Nc1nc(-c2sc(NC(=O)c3cccc(Cl)c3)nc2C)cs1,CID11958794,,,,,,0.0,,,,,,,,,,,
Cc1ccc(Cl)cc1Nc1nc(-c2sc(NC(=O)c3ccccc3)nc2C)cs1,CID11958806,,,,,,0.0,,,,,,,,,,,
Cc1nc(NC(=O)c2ccccc2)sc1-c1csc(Nc2ccc(F)cc2)n1,CID11958818,,,,,,,,,,,,0.0,,,0.0,,
CC(C)OC(=O)CSc1nnc(-c2cnccn2)n1-c1ccc(Cl)cc1,CID2562010,0.0,0.0,,0.0,0.0,,,,,,0.0,0.0,,,,,0.0
CC(C)OC(=O)CSc1nnc(-c2cnccn2)n1-c1ccccc1,CID1248797,0.0,,,,0.0,,,,,,0.0,,,,,,
CCN(CC)C(=O)CSc1nnc(-c2cnccn2)n1-c1ccccc1,CID665973,0.0,,,,0.0,,,,,,0.0,,0.0,,,0.0,
NC(=O)CSc1nnc(-c2cnccn2)n1-c1ccccc1,CID974207,,0.0,,0.0,0.0,,,,,0.0,,0.0,,,,,
COc1cccc(-n2c(SCC#N)nnc2-c2cnccn2)c1,CID648358,,,0.0,,0.0,0.0,,,,,,,,,,,
CCN(CC)C(=O)CSc1nnc(-c2cnccn2)n1-c1ccc(C)cc1,CID666847,0.0,,,,0.0,,,,,,0.0,,,,,0.0,
COc1cccc(-n2c(SC)nnc2-c2cnccn2)c1,CID645774,,0.0,,0.0,0.0,,,,,,,,,,,,
Cc1ccc(-n2c(SCC(=O)OC(C)C)nnc2-c2cnccn2)cc1,CID666707,0.0,,,,0.0,,,0.0,,,,,,,,,
Cc1cccc(Nc2nc(N)nc(CN3CCC(C)CC3)n2)c1C,CID893547,,,0.0,,,,,,,,,,,,,0.0,
CCOC(=O)C1CCCN(Cc2nc(N)nc(Nc3ccc(Cl)cc3)n2)C1,CID2946124,0.0,,,,,,0.0,,,,,,,,,0.0,
CCOC(=O)C1CCCN(Cc2nc(N)nc(Nc3ccc(OC)cc3)n2)C1,CID2953248,,,,,,,,,,,,,0.0,,,,
CC1CC(C)CN(Cc2nc(N)nc(Nc3ccccc3)n2)C1,CID2950763,,,,,,,,,,,,0.0,,,,,
CCOC(=O)C1CCCN(Cc2nc(N)nc(Nc3ccccc3OC)n2)C1,CID2952733,,,,0.0,,,,,,,,,,,,,
Cc1cccc(Nc2nc(N)nc(CN3CCC(C(N)=O)CC3)n2)c1C,CID662939,,0.0,0.0,,,,,,,,,,,,,0.0,
CCOC(=O)C1CCCN(Cc2nc(N)nc(Nc3ccc(C)cc3)n2)C1,CID2950692,,0.0,0.0,,,,,,,,,,,,,0.0,
CCOC(=O)C1CCCN(Cc2nc(N)nc(Nc3ccccc3)n2)C1,CID2945463,,,,,,,,,,0.0,,,,,,0.0,
CC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(O)c(C(=O)O)c3)cc12,CID1242007,,,,,0.0,,0.0,,,0.0,,,,0.0,,,
COc1ccc(S(=O)(=O)Nc2ccc3oc(C)c(C(=O)O)c3c2)cc1,CID1079377,,,,,0.0,,,,0.0,0.0,,0.0,0.0,,,0.0,
COc1ccc(S(=O)(=O)Nc2ccc3oc(C)c(C(C)=O)c3c2)cc1,CID1098492,,,,,,,,,0.0,0.0,,0.0,,0.0,,,
CCCC(=O)N(c1ccc2oc(C)c(C(C)=O)c2c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1,CID12005427,,,,,,,,,,,,,,,0.0,,
COCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(C(=O)O)cc3)cc12,CID654888,,,,,0.0,,,,,,,,,,,,
COCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccccc3)cc12,CID651741,,,0.0,,0.0,,,0.0,0.0,0.0,,,0.0,,0.0,0.0,
COCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc12,CID2263393,,,,,0.0,,,,,,,,,,,,
COC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cc(OC)ccc3OC)cc12,CID1244581,,,,0.0,0.0,,0.0,,,,,,,,0.0,,
COc1cccc(NC(=O)Cn2cc(C#N)c3ccccc32)c1,CID951756,,,,,,,,,0.0,,0.0,0.0,,,,,
COc1ccc(OC)c(NC(=O)Cn2cc(C#N)c3ccccc32)c1,CID2229146,0.0,,0.0,,0.0,,,0.0,0.0,0.0,,,0.0,,,,0.0
CC(=O)c1cn(CC(=O)Nc2ccccc2C)c2ccccc12,CID1088487,,,,,,0.0,,,,0.0,0.0,0.0,,0.0,,,
COc1ccccc1NC(=O)Cn1cc(C#N)c2ccccc21,CID2230022,,,,,,,,,,,,0.0,,,,,
COc1ccc(OC)c(NC(=O)Cn2cc(C#N)c3cc(Br)ccc32)c1,CID2225729,,,,,,,0.0,,0.0,,0.0,0.0,,,0.0,0.0,0.0
CC(=O)c1cn(CC(=O)Nc2ccc(C)cc2C)c2ccccc12,CID1088499,,,,,,,,,,,,0.0,,,,,
Cc1cccc(NC(=O)Cn2c(C)c(C#N)c3ccccc32)c1C,CID654532,0.0,,0.0,,,0.0,0.0,,,,,,0.0,,,,
CC(=O)c1cn(CC(=O)Nc2ccccc2)c2ccccc12,CID973007,,,,,0.0,,,,,,,,,,,0.0,0.0
Cc1cccc(N2CCN(C(=O)c3cc4c(=O)n(C)c5ccccc5c4n3C)CC2C)c1,CID5309034,,,,,,,0.0,0.0,,,,,,,,,
Cc1cccc(N2CCN(C(=O)c3cc4c(=O)[nH]c5ccccc5c4n3C)CC2)c1C,CID3236376,0.0,,,,,,0.0,,,,0.0,,,,,,0.0
Cc1cccc(N2CCN(C(=O)c3cc4c(=O)n(C)c5ccccc5c4n3C)CC2)c1C,CID5308423,,,,,,,,,,,,,0.0,,,,
Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)CC1,CID5308678,0.0,,,,,,,,,,,,,,,,
Cn1c(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc2c(=O)[nH]c3ccccc3c21,CID3244832,0.0,,,,,0.0,,,,,0.0,,0.0,,,,0.0
COc1ccccc1N1CCN(C(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)CC1,CID5308882,0.0,,,,,,,0.0,,,,,,,0.0,0.0,
CC(=O)c1ccc(N2CCN(C(=O)c3cc4c(=O)n(C)c5ccccc5c4n3C)CC2)cc1,CID5307887,0.0,,0.0,,,,,,,,,,,,,,
Cn1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc2c(=O)n(C)c3ccccc3c21,CID5308069,,0.0,,0.0,,,,,,,,,,,,,
COc1ccccc1N1CCN(C(=O)c2cc3cc(Br)ccc3oc2=O)CC1,CID1043849,0.0,,,,,,,,0.0,,,0.0,,,,0.0,0.0
COc1cccc2cc(C(=O)N3CCN(c4ccccc4F)CC3)c(=O)oc12,CID653948,,,,,,0.0,,0.0,,,,,0.0,,,,
COc1ccc2oc(=O)c(C(=O)N3CCN(c4ccccc4C)CC3)cc2c1,CID1249115,0.0,,,,,,0.0,,0.0,0.0,,,0.0,0.0,,,
Cc1cccc(N2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)c1C,CID1001344,0.0,,,,,,0.0,0.0,0.0,,,,0.0,0.0,,,
COc1cccc2cc(C(=O)N3CCN(c4ccc(C)cc4C)CC3)c(=O)oc12,CID1263073,,,0.0,0.0,0.0,,0.0,,0.0,,,,,0.0,,,
COc1ccc2oc(=O)c(C(=O)N3CCN(c4ccccc4F)CC3)cc2c1,CID1045009,,,,,,,,0.0,,,,,,,,,
Cc1ccc(C)c(N2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)c1,CID1045619,,,,,,,0.0,0.0,0.0,,,,,,,,
COc1ccc2oc(=O)c(C(=O)N3CCN(c4ccccc4)CC3)cc2c1,CID646413,0.0,,,,,,,,0.0,0.0,,,,0.0,,,
COc1cccc(NC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1,CID9550903,,,,,,,,,,,,0.0,,,,,
Cc1c(NC(=O)Nc2cccc(Cl)c2)c(=O)n(-c2ccccc2)n1C,CID1098728,0.0,0.0,0.0,,,0.0,0.0,,,,,,0.0,,,,
Cc1c(NC(=O)Nc2ccc(Cl)cc2Cl)c(=O)n(-c2ccccc2)n1C,CID16193059,,,,,,,,,,,,,,,0.0,,
Cc1c(NC(=O)Nc2ccccc2Cl)c(=O)n(-c2ccccc2)n1C,CID2054164,,,,,,,,,,,,,,,0.0,,
Cc1c(NC(=O)Nc2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C,CID1367800,0.0,0.0,,,,,0.0,,,,,,,,0.0,0.0,
COc1ccccc1NC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O,CID1061759,0.0,,,,,,0.0,,,,0.0,0.0,,,,,
Cc1c(NC(=O)Nc2ccc(Cl)c(Cl)c2)c(=O)n(-c2ccccc2)n1C,CID980623,0.0,,,,,,,,,,,,,,,,
COc1ccc(NC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1,CID5308652,0.0,0.0,,,,,,0.0,,,,,,,,0.0,
O=C(COc1ccccc1Cl)NCc1ccncc1,CID1343414,,0.0,,0.0,,,,0.0,,0.0,,,0.0,,,0.0,0.0
Cc1cc(OCC(=O)NCc2ccncc2)ccc1Cl,CID831609,,,,,,,,,,,,,,0.0,,,
O=C(COc1ccc(Cl)cc1)NCc1ccncc1,CID1717970,,,,,,,,,,,,,,0.0,,,
CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1ccncc1,CID888373,,,,,,,,0.0,,,,,0.0,0.0,,0.0,0.0
CC(Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccncc1,CID3829743,,,0.0,,,,,,,,,,0.0,0.0,,,
Cc1cc(Cl)ccc1OCC(=O)NCc1ccncc1,CID3107691,,,,,,,,,,0.0,,,,,,,
Cc1cccc(OCC(=O)NCc2ccncc2)c1C,CID756599,,,,,0.0,,,0.0,,,,,,,,,
O=C(COc1ccc(Cl)cc1Cl)NCc1ccncc1,CID779803,0.0,,,,,,,,,,,,0.0,0.0,,,
Cn1c(=O)c2c(nc(CN3CCN(c4ccccc4)CC3)n2Cc2ccccc2Cl)n(C)c1=O,CID666399,,,,,,,,,,,,,0.0,,,,
COc1ccc(N2CCN(Cc3nc4c(c(=O)n(C)c(=O)n4C)n3Cc3cccc(C)c3)CC2)cc1,CID2991940,0.0,0.0,,,,,,,,,,,,,,,0.0
Cn1c(=O)c2c(nc(CN3CCN(c4ccccc4)CC3)n2Cc2ccccc2F)n(C)c1=O,CID666892,,,,,,,,,,0.0,,,,,,,
COc1ccc(N2CCN(Cc3nc4c(c(=O)[nH]c(=O)n4C)n3Cc3cccc(Cl)c3)CC2)cc1,CID4859802,,,0.0,,,,,,0.0,0.0,,,0.0,,,,
Cn1c(=O)c2c(nc(CN3CCN(c4ccc(F)cc4)CC3)n2Cc2ccccc2F)n(C)c1=O,CID665944,,,,,,,0.0,,,0.0,,,,,,,
COc1ccc(N2CCN(Cc3nc4c(c(=O)n(C)c(=O)n4C)n3Cc3ccccc3C)CC2)cc1,CID4972490,0.0,,,,,,,,,,,,0.0,,,,
Cc1ccccc1Cn1c(CN2CCN(c3ccc(F)cc3)CC2)nc2c1c(=O)n(C)c(=O)n2C,CID4891817,,,,,,,,,,0.0,,,,,,,
Cn1c(=O)[nH]c(=O)c2c1nc(CN1CCN(c3cccc(Cl)c3)CC1)n2Cc1ccccc1Cl,CID4886052,0.0,,,,,,,,,,,,,,,,
COc1ccc(Cn2c(N)c(C#N)c3nc4ccccc4nc32)cc1OC,CID658197,,,0.0,,,,0.0,0.0,,,,,,,,,
CCOC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc12,CID705218,,,,,,0.0,,0.0,,,,,0.0,,,0.0,
COc1cc(Cn2c(N)c(C#N)c3nc4ccccc4nc32)cc(OC)c1,CID658989,,,,0.0,,,0.0,0.0,,,,0.0,,,,0.0,
COC(=O)c1c(N)n(Cc2ccc(OC)cc2)c2nc3ccccc3nc12,CID660588,,,0.0,,,,,,,,,,0.0,,,,
COc1ccc(Cn2c(N)c(C#N)c3nc4ccccc4nc32)cc1,CID853275,,,,,,,,,,,,0.0,,,,,
COCCOC(=O)c1c(N)n(Cc2ccc(OC)cc2)c2nc3ccccc3nc12,CID660363,,,,,,,,,,,,,0.0,,,,
COc1cccc(Cn2c(N)c(C#N)c3nc4ccccc4nc32)c1OC,CID658720,,,,,,0.0,,0.0,,,,,,,,,
CCOC(=O)c1c(N)n(Cc2ccc(OC)cc2)c2nc3ccccc3nc12,CID659317,,,0.0,,,0.0,,,0.0,,,,,,,,
CC1CCN(C(=O)CSc2ccc3nnc(-c4ccc(F)cc4)n3n2)CC1,CID3244750,0.0,0.0,,,0.0,,,,,,,,0.0,,,0.0,0.0
CC1CCN(C(=O)CSc2ccc3nnc(-c4cccc(F)c4)n3n2)CC1,CID5310544,,,0.0,,,,,,,,,,,,,,
CC1CCN(C(=O)CSc2ccc3nnc(-c4ccccc4)n3n2)CC1,CID3242626,0.0,0.0,,,0.0,,,,,,,,,,,0.0,
O=C(CSc1ccc2nnc(-c3ccc(F)cc3)n2n1)N1CCCCC1,CID3237716,,0.0,,0.0,0.0,,,,,,,,,,,0.0,
CCOc1ccc(-c2nnc3ccc(SCC(=O)N4CCCCC4)nn23)cc1,CID5310063,,0.0,,,,,,0.0,,,,,,,,0.0,
Cc1ccc(-c2nnc3ccc(SCC(=O)N4CCCCC4)nn23)cc1,CID3236457,0.0,,,0.0,0.0,,,0.0,,,0.0,,,,,0.0,
O=C(CSc1ccc2nnc(-c3ccccc3)n2n1)N1CCCCC1,CID3243543,0.0,,,,0.0,,,,,,,,,,,0.0,
COc1ccc(-c2nnc3ccc(SCC(=O)N4CCCCC4)nn23)cc1OC,CID5310103,,0.0,,,,,,,,,0.0,,,,,,
O=C1CC(Nc2ccc(N3CCOCC3)cc2)C(=O)N1c1ccccc1,CID2834472,,,,,,,,,0.0,0.0,0.0,0.0,,,,,
CN(C)c1ccc(N2C(=O)CC(Nc3ccc(N4CCOCC4)cc3)C2=O)cc1,CID2947295,,,,,,,,,0.0,0.0,0.0,0.0,,,,,
O=C1CC(Nc2ccc(N3CCOCC3)cc2)C(=O)N1c1cccc(C(F)(F)F)c1,CID2873790,0.0,,,,0.0,,,,,,,,,,,,
COc1cccc(N2C(=O)CC(Nc3ccc(N4CCOCC4)cc3)C2=O)c1,CID3149577,0.0,,,,,,0.0,,0.0,0.0,0.0,,0.0,,,,
CCOc1ccccc1N1C(=O)CC(Nc2ccc(N3CCOCC3)cc2)C1=O,CID3149582,0.0,,,0.0,,,,,0.0,,0.0,,0.0,,,,
COc1ccc(N2C(=O)CC(Nc3ccc(N4CCOCC4)cc3)C2=O)c(OC)c1,CID2948741,,,,,,,,,0.0,,,0.0,,,,,
COc1ccccc1N1C(=O)CC(Nc2ccc(N3CCOCC3)cc2)C1=O,CID2883940,,,,,,,,,0.0,0.0,,0.0,,,,,
CC(=O)Oc1cccc(N2C(=O)CC(Nc3ccc(N4CCOCC4)cc3)C2=O)c1,CID2948115,,,0.0,,,,0.0,0.0,0.0,,0.0,0.0,,,,,
Cn1c(-c2cccs2)nc2ccccc21,CID931177,,,,,,,,,,,,,,,0.0,,
CCCn1c(-c2cccs2)nc2ccccc21,CID660451,,,,,,,,,,,,,0.0,,,,
Cc1ccc(-c2nc3ccccc3[nH]2)s1,CID870214,,0.0,,,0.0,,,,,,,,0.0,,,,0.0
CC(=O)Nc1ccc2nc(-c3cccs3)[nH]c2c1,CID892943,,0.0,,0.0,,,,,,,,,,,,,0.0
c1csc(-c2nc3ccccc3[nH]2)c1,CID506600,,,,,0.0,,,,,,,,,,,,0.0
C=CCn1c(-c2cccs2)nc2ccccc21,CID962267,,0.0,,,,,,,,,,,0.0,,0.0,,
Cn1c(-c2ccc(C=O)s2)nc2ccccc21,CID874047,,,,,,0.0,,,,,0.0,,,,,,
CC(C)Cn1c(-c2cccs2)nc2ccccc21,CID888451,,,,,,,,,,,,0.0,,,0.0,,
COc1ccc(-n2c(=O)cc(N3CCN(c4ccccc4F)CC3)[nH]c2=O)cc1,CID3239970,0.0,,,,,,,0.0,,,,,,,,,
Cc1cccc(-n2c(=O)cc(N3CCN(c4ccc(F)cc4)CC3)[nH]c2=O)c1,CID5310380,,,0.0,,,,,0.0,,,,,,,,,
COc1ccc(-n2c(=O)cc(N3CCN(c4ccccc4OC)CC3)[nH]c2=O)cc1,CID3239441,0.0,0.0,0.0,,,,,0.0,0.0,0.0,,,,0.0,,,0.0
O=c1cc(N2CCN(c3ccccc3)CC2)[nH]c(=O)n1-c1ccccc1Cl,CID3236303,0.0,,,,,,,,,,,,,,,,0.0
CCOc1ccc(-n2c(=O)cc(N3CCN(c4ccccc4)CC3)[nH]c2=O)cc1,CID3238249,0.0,,,,,,,0.0,,,,0.0,0.0,,,,0.0
COc1ccccc1N1CCN(c2cc(=O)n(-c3ccc(Br)cc3)c(=O)[nH]2)CC1,CID3237506,,,,,,,,,,,,,,,,0.0,0.0
COc1ccc(-n2c(=O)cc(N3CCN(c4ccccc4)CC3)[nH]c2=O)cc1,CID3244311,0.0,0.0,0.0,,,,,0.0,,,,,0.0,,,,0.0
COc1ccccc1N1CCN(c2cc(=O)n(-c3ccccc3Cl)c(=O)[nH]2)CC1,CID3243183,0.0,,,,,,,,,,0.0,,0.0,,,,0.0
O=C(CCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)N1CCN(c2ccc(Cl)cc2)CC1,CID3239972,,,,,0.0,,,,,,,0.0,,,,,0.0
O=C(CCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)N1CCN(c2ccccc2F)CC1,CID3244875,,0.0,,,,,,0.0,,,,,,,,,
O=C(CCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)N1CCN(c2ccc(F)cc2)CC1,CID3238423,,,,,,,,,,0.0,,,0.0,,,,
Cc1cccc(N2CCN(C(=O)CCCn3c(=S)[nH]c4cc5c(cc4c3=O)OCO5)CC2)c1C,CID3241522,,,,,0.0,,0.0,,,,,,,,,,
CC(=O)c1ccc(N2CCN(C(=O)CCCn3c(=S)[nH]c4cc5c(cc4c3=O)OCO5)CC2)cc1,CID3239043,,,0.0,,0.0,,0.0,0.0,,,0.0,,,,,,
COc1ccc(N2CCN(C(=O)CCCn3c(=S)[nH]c4cc5c(cc4c3=O)OCO5)CC2)cc1,CID3242446,,,0.0,,0.0,,,0.0,,,,,0.0,,,,
Cc1ccc(C)c(N2CCN(C(=O)CCCn3c(=S)[nH]c4cc5c(cc4c3=O)OCO5)CC2)c1,CID3243065,,,,,0.0,,,,,,,,,,,,
O=C(CCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)N1CCN(c2ccccc2)CC1,CID3240921,,0.0,,,0.0,,0.0,,,,,,,,,,0.0
COc1ccc(OC)c(S(=O)(=O)NCc2cn3ccsc3n2)c1,CID3243564,,,,,0.0,,,,,,,,,,,0.0,
CC(=O)Nc1ccc(S(=O)(=O)NCc2cn3c(C)csc3n2)cc1,CID3245400,,,,0.0,,,,,,,,,,,,,
COc1ccc(OC)c(S(=O)(=O)NCc2cn3c(C)csc3n2)c1,CID5310434,,,,,,,,,,,0.0,,,0.0,,,0.0
Cc1ccc(S(=O)(=O)NCc2cn3ccsc3n2)c(C)c1,CID3236185,0.0,0.0,,,0.0,,0.0,,0.0,0.0,0.0,,0.0,0.0,,,
CC(=O)Nc1ccc(S(=O)(=O)NCc2cn3ccsc3n2)cc1,CID3245932,,,,,,,,,,,0.0,,,,,,
Cc1cc(C)c(S(=O)(=O)NCc2cn3c(C)csc3n2)c(C)c1,CID3241083,0.0,0.0,,0.0,0.0,0.0,,,0.0,0.0,,,,,,,
Cc1cc(C)c(S(=O)(=O)NCc2cn3c(C)csc3n2)cc1C,CID3244766,0.0,0.0,,,0.0,,,,,,,,,,,,
Cc1ccc(S(=O)(=O)NCc2cn3c(C)csc3n2)cc1,CID3242283,0.0,0.0,,0.0,0.0,0.0,,,,,0.0,,0.0,,,,
COc1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2CCc2ccccc2)cc1OC,CID3235614,0.0,,0.0,,,,,0.0,,,,,,,,,
Cn1cccc1Cc1nnc(SCC(=O)Nc2ccc(F)cc2)n1CCc1ccccc1,CID5307605,0.0,,,,,,,,,,,,,,,,
Cn1cccc1Cc1nnc(SCC(=O)Nc2ccccc2F)n1CCc1ccccc1,CID5307096,0.0,0.0,,,,,,,,0.0,,,0.0,,,,
Cn1cccc1Cc1nnc(SCC(=O)Nc2cccc(F)c2)n1CCc1ccccc1,CID5307286,0.0,,,,,,0.0,,,,,,,,,,
CC(=O)Nc1cccc(NC(=O)CSc2nnc(Cc3cccn3C)n2CCc2ccccc2)c1,CID3245447,0.0,,0.0,,,,,,,,,,,,,0.0,
COc1ccccc1NC(=O)CSc1nnc(Cc2cccn2C)n1CCc1ccccc1,CID3237765,0.0,,,0.0,,,,,,,,,,0.0,,0.0,0.0
COc1ccc(OC)c(NC(=O)CSc2nnc(Cc3cccn3C)n2CCc2ccccc2)c1,CID3244676,0.0,,,,,0.0,,,,,,,,,,0.0,
COc1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2CCc2ccccc2)c(OC)c1,CID3245313,0.0,,,,,0.0,,0.0,,0.0,,,,,,,
COc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)o2)c(OC)c1,CID646238,0.0,0.0,0.0,,0.0,,,,,,0.0,,,,,0.0,0.0
Cc1cccc(C)c1NC(=O)CSc1nnc(Cc2ccccc2)o1,CID1114741,,,,,,,,,,,,,,0.0,,,
COc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)o1,CID1114736,,0.0,0.0,,0.0,,0.0,0.0,,,0.0,,,,,0.0,0.0
COC(=O)c1ccccc1NC(=O)CSc1nnc(Cc2ccc(Cl)cc2)o1,CID1243679,0.0,,0.0,0.0,,,,,0.0,0.0,0.0,0.0,,,0.0,,0.0
O=C(CSc1nnc(Cc2ccccc2)o1)Nc1ccccc1,CID375280,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)o1,CID375283,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)o2)cc1,CID375285,,,,,,,,,,,,,,0.0,,,
Cc1cccc(NC(=O)CSc2nnc(Cc3ccccc3)o2)c1,CID375284,,,,,,,,,,,,,,0.0,,,
CCN(CC)CCCNC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1,CID5307327,0.0,0.0,0.0,,,,,,,,,,,,,,
CCN(CC)CCNC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1,CID5309397,0.0,,0.0,,,,,,,,,,,,,,
COCCNC(=O)c1cc2c(-c3ccccc3F)nn(C)c2s1,CID3242757,,0.0,,,,,,,,0.0,,,,,,0.0,
CC(C)NC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1,CID5307512,0.0,,0.0,,,,,,,,,,,,,,
COCCNC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1,CID5307989,0.0,,,0.0,,0.0,,,,,,,,,,,
CCOCCCNC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1,CID5307886,,0.0,,,,0.0,,,,,,,,,,,
COCCCNC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1,CID5307136,0.0,,,,,,,,,,,,,,,0.0,
CCCCNC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1,CID5307703,0.0,0.0,0.0,,,,,,,,0.0,,,,,,
Cc1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)nc1,CID773579,,,,,,,,,,,,,,,0.0,,
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccccn1,CID766791,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)nc(NC(=O)/C=C/c2ccccc2Cl)c1,CID2168596,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)nc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c1,CID868317,,,,,,,,,,,,0.0,,,,,
O=C(/C=C/c1ccccc1)Nc1ccc(Cl)cn1,CID691131,,,,,,0.0,,,,,,,,,0.0,,
Cc1cccc(NC(=O)/C=C/c2ccc(Cl)cc2)n1,CID898543,,,,,,,,,,,,,,0.0,,,
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)cn1,CID880012,,,,,,,,,,,,,,,0.0,,
O=C(/C=C/c1ccccc1)Nc1ccc(Br)cn1,CID691129,,,,,,,,,,,,,,,0.0,,
CC(=O)c1c(C)nc(-c2ccccc2)n1O,CID937989,,,,,,,,,,0.0,,0.0,,,,,
COc1ccc(Br)cc1-c1nc(C)c(C(C)=O)n1O,CID975121,0.0,,,,,,0.0,,0.0,,,0.0,,,,,0.0
COc1ccc(-c2nc(C)c(C(C)=O)n2O)cc1,CID1082694,,,,,,0.0,,,,,,,,,,,
CC(=O)c1c(C)nc(-c2ccc(Cl)cc2Cl)n1O,CID933372,0.0,,,,,,,,,,,,,,,,
COc1ccc(-c2nc(C)c(C(C)=O)n2O)cc1OC,CID753292,,,,,,,0.0,,,0.0,,,0.0,,,0.0,
O=C(O)CCn1ccnc1-c1ccccc1,CID644448,,,,,,,,0.0,,0.0,,,0.0,,0.0,,
CC(=O)Nc1ccc(-c2nc(C)c(C(C)=O)n2O)cc1,CID2972851,,0.0,,,,,,,0.0,,,0.0,0.0,,,,
CCOc1ccc(-c2nc(C)c(C(C)=O)n2O)cc1,CID618372,,,,,,,,,,0.0,,0.0,,,,,
N#Cc1nc(COc2cccc(Cl)c2)oc1N1CCCC1,CID714029,,,,,,,0.0,,,,,,0.0,0.0,,0.0,
N#Cc1nc(COc2ccc(F)cc2)oc1N1CCCC1,CID647046,,,0.0,,,,,,,,,,,,,,
N#Cc1nc(COc2ccccc2)oc1N1CCCC1,CID661538,0.0,0.0,,,,,,,,,,,,,,,
COc1ccccc1OCc1nc(C#N)c(N2CCCC2)o1,CID751005,,,,,,,,,,,,,,,0.0,,
N#Cc1nc(COc2ccccc2Cl)oc1N1CCCC1,CID751001,,,,,,,,,,,,,,0.0,,,
N#Cc1nc(COc2ccc(Br)cc2)oc1N1CCCC1,CID661326,0.0,,,,,,0.0,,0.0,,0.0,0.0,,,0.0,0.0,0.0
N#Cc1nc(COc2ccc(Cl)cc2)oc1N1CCCC1,CID645551,0.0,0.0,,,,,0.0,,,,,,,,,0.0,0.0
Cc1ccc(OCc2nc(C#N)c(N3CCCC3)o2)cc1,CID654418,,0.0,,,,,,,,,0.0,,,,,,
CCCCn1c(Oc2ccc(C(=O)OC)cc2)nc2c1c(=O)n(C)c(=O)n2C,CID2910697,,,,,,,0.0,,,,,,,,,,
Cn1c(=O)c2c(nc(Oc3ccccc3)n2C)n(C)c1=O,CID223561,,,,,,,,,0.0,,,,,0.0,,,
Cc1ccc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2C)cc1C,CID973904,,,,,,,,,,,,,,,0.0,,
C=CCn1c(Oc2cc(C)ccc2C)nc2c1c(=O)n(C)c(=O)n2C,CID742132,,0.0,,,,,,,,,,,,,0.0,,0.0
CC(C)CCn1c(Oc2ccccc2Cl)nc2c1c(=O)n(C)c(=O)n2C,CID1266770,,,,,,0.0,,,,,,,,,,,
C=CCn1c(Oc2cccc(C)c2)nc2c1c(=O)n(C)c(=O)n2C,CID3485634,,,,,,,,,,,,,,,0.0,,
COC(=O)c1ccc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2CCC(C)C)cc1,CID1305978,0.0,,,,,,,,,,,,,,,,
C=CCn1c(Oc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C,CID751764,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)CNc2ccccc2C#N)cc1,CID2389100,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C(=O)CNc2ccc(C)c(Cl)c2)cc1,CID788411,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1NCC(=O)c1ccc(Br)cc1,CID878879,,,,,,,,,,,,0.0,,,,,
Cc1ccc(NCC(=O)c2ccc([N+](=O)[O-])cc2)cc1,CID762771,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C(=O)CNc2ccc(Cl)cc2)cc1,CID788614,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccc(NCC(=O)c2ccccc2)cc1,CID788616,,,,,,,,,0.0,,0.0,,,0.0,,,0.0
O=C(CNc1ccc(Br)cc1)c1ccccc1,CID804442,,,,,,,,,,,,0.0,,,,,
Cc1ccc(C(=O)CNc2cccc([N+](=O)[O-])c2)cc1,CID788322,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(N(CC(=O)NCc2ccc(F)cc2)S(=O)(=O)c2c(C)noc2C)cc1,CID5309688,,,,,,,0.0,,,,0.0,,,,,,
CCOc1ccc(N(CC(=O)NCc2ccccc2)S(=O)(=O)c2c(C)noc2C)cc1,CID5308694,,,,,,,,0.0,,,,,,0.0,,0.0,
COc1ccc(N(CC(=O)NCc2cccc(OC)c2)S(=O)(=O)c2c(C)noc2C)cc1,CID3238782,,,0.0,,0.0,,,0.0,,0.0,,,0.0,,,,0.0
COc1cccc(CNC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2c(C)noc2C)c1,CID5308908,,,,,,,,0.0,,,,,,,,,
COc1ccc(CNC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2c(C)noc2C)cc1,CID5309480,,,,,,,0.0,,,,,,,,,,
CCOc1ccc(N(CC(=O)NCc2cccc(OC)c2)S(=O)(=O)c2c(C)noc2C)cc1,CID3236341,,,,,0.0,,,,,0.0,,,,,,0.0,
COc1ccc(N(CC(=O)NCc2ccccc2)S(=O)(=O)c2c(C)noc2C)cc1,CID3238446,,,0.0,,0.0,,0.0,,0.0,0.0,,,0.0,,,,0.0
CCOc1ccc(N(CC(=O)NCc2ccc(OC)cc2)S(=O)(=O)c2c(C)noc2C)cc1,CID3239701,,,0.0,,0.0,,,,,,,,,,,,
CCn1ncc(C2=NOC(C(=O)Nc3cccc(O)c3)C2)c1C,CID16189388,,,,,,,,,,,,,,0.0,,,
CCn1cc(C2=NOC(C(=O)Nc3cc(OC)c(Cl)cc3OC)C2)c(C)n1,CID3237418,0.0,,0.0,,,0.0,,,,0.0,,,,,,0.0,0.0
CCn1ncc(C2=NOC(C(=O)Nc3ccc(C)cc3)C2)c1C,CID9550707,,,,,,,,,,,,,,,0.0,,
CCn1ncc(C2=NOC(C(=O)Nc3cc(OC)c(Cl)cc3OC)C2)c1C,CID3244125,0.0,,,,,,,,,,,,,,,0.0,0.0
CCn1cc(C2=NOC(C(=O)Nc3cccc(C(C)=O)c3)C2)c(C)n1,CID3236329,,0.0,,,,0.0,,,,,,,,,,,
CCn1ncc(C2=NOC(C(=O)Nc3cccc(C(C)=O)c3)C2)c1C,CID3243681,,,,,,0.0,,,,,,,0.0,,0.0,,
CCn1cc(C2=NOC(C(=O)Nc3ccccc3C(=O)OC)C2)c(C)n1,CID3240660,,,,,,0.0,,,,,,,,,,,
CCn1ncc(C2=NOC(C(=O)Nc3ccccc3C(=O)OC)C2)c1C,CID3238045,,,0.0,,,,,0.0,,,,,,,,,
COc1ccc(OC)c(NC=C2C(=O)OC3(CCCCC3)OC2=O)c1,CID659985,,,,0.0,,,,,,,0.0,,,,,0.0,
COc1cccc(NC=C2C(=O)OC3(CCCCC3)OC2=O)c1,CID757277,,,0.0,,,0.0,,,,,,,0.0,,,0.0,0.0
CCOc1ccccc1NC=C1C(=O)OC2(CCCCC2)OC1=O,CID757278,,,,,,,,,,,,,,,0.0,,
COc1ccccc1NC=C1C(=O)OC2(CCCCC2)OC1=O,CID660045,,,,,,,,0.0,,0.0,,,0.0,,0.0,,
COC(=O)c1ccccc1NC=C1C(=O)OC2(CCCCC2)OC1=O,CID661616,,,0.0,,,,,,,,,,,,0.0,,
CC(=O)c1cccc(NC=C2C(=O)OC3(CCCCC3)OC2=O)c1,CID757289,,,,,,,,,,,0.0,,,,,,
CCOC(=O)c1ccc(NC=C2C(=O)OC3(CCCCC3)OC2=O)cc1,CID1282636,,,,,,,,,,,0.0,,,,,,
NS(=O)(=O)c1ccc(NC=C2C(=O)OC3(CCCCC3)OC2=O)cc1,CID1224211,,,,0.0,,,,,,,,,,,,,0.0
Cc1nc(NC(=O)c2ccc(Br)s2)sc1C(=O)N(C)C,CID1246643,,,,,,,,,0.0,,,,,,,0.0,
CC(C)(C)c1csc(NC(=O)c2cccs2)n1,CID574261,,0.0,0.0,,0.0,,0.0,,,,,,0.0,0.0,,,
CCOC(=O)Cc1csc(NC(=O)c2ccc(Br)s2)n1,CID1247392,,,,,,,,,,,,,,,,0.0,
Cc1ccc(C(=O)Nc2nc(C(C)(C)C)cs2)s1,CID2449811,,,,,,,,,,0.0,,,,0.0,,,
CCOC(=O)Cc1csc(NC(=O)c2cccs2)n1,CID702932,,,,,,,0.0,,,0.0,0.0,,0.0,,0.0,,
CC(C)(C)c1csc(NC(=O)c2ccc(Cl)s2)n1,CID1247280,,,0.0,,,,,,0.0,,,,,0.0,0.0,,
CCOC(=O)c1sc(NC(=O)c2ccc(CC)s2)nc1C,CID1244006,,,0.0,,0.0,,,,0.0,,0.0,,,0.0,,,
Cc1csc(NC(=O)c2cccs2)n1,CID786375,,0.0,,,,,,,,0.0,,,0.0,,,,
COc1cc(C(=O)NCc2cn3ccsc3n2)cc(OC)c1OC,CID3242965,,,,,0.0,,,,,,,,,,,0.0,
Cc1csc2nc(CNC(=O)c3cccc(C(F)(F)F)c3)cn12,CID3240597,0.0,,,,0.0,,,0.0,,0.0,,0.0,,,,,
COc1cccc(C(=O)NCc2cn3ccsc3n2)c1,CID5310332,,,,,,,,0.0,,,,,,,,,
O=C(NCc1cn2ccsc2n1)c1cccc(C(F)(F)F)c1,CID3241089,,0.0,,,0.0,,,,,0.0,,,,,,,0.0
COc1ccc(C(=O)NCc2cn3c(C)csc3n2)cc1OC,CID3238659,,,,,0.0,,,,,,,,,,,,
COc1ccc(C(=O)NCc2cn3ccsc3n2)cc1OC,CID5310446,,,,,,,,0.0,,,,,0.0,,,,
O=C(NCc1cn2ccsc2n1)c1c(F)cccc1Cl,CID5310568,,,0.0,,,,,,,,,0.0,0.0,,,,
COc1ccc(Cl)cc1C(=O)NCc1cn2c(C)csc2n1,CID5310155,,,,,,,,,,,,,0.0,,,,
Cc1ccc(OCc2nc(-c3ccccn3)no2)cc1,CID845228,,,,,,,,,,,0.0,,,,,,
CCc1ccc(OCc2nc(-c3ccccn3)no2)c(Br)c1,CID2942559,,,,,,,0.0,,0.0,,0.0,0.0,,,,,0.0
CC(C)(C)c1ccc(OCc2nc(-c3ccccn3)no2)c(Br)c1,CID2203505,0.0,,,,,,,,0.0,,,,,,,,0.0
Clc1ccccc1OCc1nc(-c2ccccn2)no1,CID870497,0.0,,,0.0,,,,,,,,,,,,0.0,
Cc1ccc(OCc2nc(-c3ccccn3)no2)c(Br)c1,CID2269543,0.0,,,,,,0.0,,0.0,,,,,,0.0,,0.0
CC(Oc1ccc(Cl)cc1Cl)c1nc(-c2ccccn2)no1,CID2913848,,,,,,,,,,,,0.0,,,,,
CC(C)c1ccc(OCc2nc(-c3ccccn3)no2)c(Br)c1,CID664814,,,,,,,0.0,,0.0,,0.0,,,,0.0,0.0,
Clc1ccc(OCc2nc(-c3ccccn3)no2)c(Br)c1,CID1366543,0.0,,,,,,0.0,,0.0,,0.0,0.0,,,,,
O=C(NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1,CID286220,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1C(C)C,CID766163,,,,,,,,,,,,,,0.0,0.0,,
O=C(NS(=O)(=O)c1ccccc1)c1ccccc1O,CID975665,,,,,,,,,,,0.0,0.0,,,,,0.0
CCOc1ccc(Br)cc1S(=O)(=O)NC(=O)c1ccccc1,CID1304705,,,,,,,,,,,,,,,0.0,,
O=C(NS(=O)(=O)c1ccccc1)c1ccccc1F,CID2147255,,,,0.0,,,0.0,0.0,0.0,,,,,,,,
Nc1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1,CID5319,,,,0.0,,,,,0.0,,,,0.0,,,,
O=C(NS(=O)(=O)c1ccccc1)c1ccccc1,CID229604,,,,,,,,,0.0,,,,,0.0,,,
COC(=O)c1ccccc1S(=O)(=O)NC(=O)c1ccccc1,CID753816,,,,,0.0,,,0.0,0.0,,,,0.0,0.0,0.0,,0.0
Cc1ccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2ccccc2)cc1,CID2247523,,,,,,,,,,0.0,,,,,,,
COc1ccc(S(=O)(=O)N(CC(=O)N2CCOCC2)c2cc(Cl)ccc2OC)cc1OC,CID654668,,,0.0,,,,,,,,,,0.0,,,,
CCOc1ccccc1N(CC(=O)N1CCOCC1)S(=O)(=O)c1ccccc1,CID1120541,,,0.0,,,,,0.0,,0.0,,,0.0,,,0.0,0.0
CCOc1ccccc1N(CC(=O)N1CCOCC1)S(=O)(=O)c1ccc(SC)cc1,CID2964580,,,,,0.0,,,,,,0.0,,,,0.0,,
O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N1CCOCC1,CID1348802,,,,,0.0,,,0.0,,,,,,,,,
Cc1cc(C)cc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2ccccc2)c1,CID1205355,,,,,,,,,,0.0,,,,,,,
COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)N1CCOCC1)c1ccccc1,CID1324672,,,,,,,,,,,,,,,,0.0,0.0
O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N1CCOCC1,CID1120528,,,,,,,,,,,,,,,,,0.0
Cc1c(C(=O)OC(C)C)sc(NC(=O)C2CCCO2)c1C(=O)OC(C)C,CID2862595,,,,,,,,,0.0,,,,,,,,
COC(=O)c1sc(NC(=O)C2CCCO2)c(C(=O)OC)c1C,CID2862167,,,,,0.0,,,,,,,,,,,,
CCOC(=O)c1sc(NC(=O)C2CCCO2)c(C(=O)OCC)c1C,CID2790483,,,,,0.0,,,,,,,,0.0,,,,
CCOC(=O)c1c(NC(=O)C2CCCO2)sc(C(=O)OC(C)(C)C)c1C,CID2933472,,,,,,,,,0.0,0.0,,,,,0.0,,
Cc1sc(NC(=O)C2CCCO2)c(C#N)c1C,CID2970706,,0.0,,0.0,,,,,,,,,,,,,
CCOC(=O)c1c(NC(=O)C2CCCO2)sc(C(N)=O)c1C,CID2932484,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1sc(NC(=O)C2CCCO2)c(C(=O)OC)c1C,CID2970268,,0.0,,,0.0,,0.0,,,0.0,,,,,,,
Cc1sc(NC(=O)C2CCCO2)c(C(N)=O)c1C,CID3397993,,,,,,,,,,,0.0,,,,,,
COc1ccc(OC)c(NC(=O)Cn2c(=O)oc3ccccc32)c1,CID1096303,,,,,,,0.0,0.0,,,,,0.0,,0.0,,0.0
Cc1cccc(NC(=O)Cn2c(=O)oc3ccccc32)c1,CID656290,,,,,0.0,0.0,,,,,,0.0,0.0,,,,
COc1ccccc1NC(=O)Cn1c(=O)oc2ccccc21,CID752591,,,0.0,0.0,,,0.0,,,0.0,0.0,0.0,,,,0.0,
CCOc1ccc(NC(=O)Cn2c(=O)oc3ccccc32)cc1,CID752592,,,,,,,,,0.0,0.0,0.0,0.0,,0.0,,,
COC(=O)c1ccccc1NC(=O)Cn1c(=O)oc2ccc(Cl)cc21,CID2202278,,,,,,,0.0,,,,,,0.0,,,,
COc1cccc(NC(=O)Cn2c(=O)oc3ccccc32)c1,CID775853,,,0.0,,,,0.0,0.0,,,,0.0,,,,0.0,
CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cn2c(=O)oc3ccccc32)cc1,CID648000,,,,,,,,,,0.0,,,0.0,,,,
CCN(C(=O)Cn1c(=O)oc2ccccc21)c1cccc(C(F)(F)F)c1,CID3244107,,,,,,,,,,,,,,,,,0.0
COC(=O)Cn1cccc1C(=O)c1ccccc1,CID6618880,,,,,,0.0,,,,,,,,,,,
O=C(O)Cn1cccc1C(=O)c1ccccc1,CID3239785,,,,,,,,,0.0,,,,0.0,,,,
CC(C)NC(=O)C(C)n1cccc1C(=O)c1ccccc1,CID3237590,0.0,,0.0,,0.0,0.0,,0.0,,,,0.0,0.0,,,0.0,0.0
Cn1cccc1C(=O)c1ccc(Cl)cc1Cl,CID644768,,,,,,,,,,,,,,0.0,,,
Cn1cccc1C(=O)c1cccc([N+](=O)[O-])c1,CID2308530,,,,,,,,,,,,,,,0.0,,
CCCNC(=O)Cn1cccc1C(=O)c1ccccc1,CID3240246,,,,,0.0,,,0.0,,0.0,,,0.0,,,,
CCC(C)NC(=O)Cn1cccc1C(=O)c1ccccc1,CID3239648,,,,,0.0,0.0,,0.0,,0.0,,,,,,,
Cc1ccccc1C(=O)c1cccn1CC(=O)O,CID3238188,,,,0.0,,,,0.0,,,,,0.0,,,,
CC(=O)c1cccc(NC(=O)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)c1,CID3241964,,,,,,,,,,,,,0.0,,,,0.0
Cc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)c1,CID3239195,,,,,,,0.0,,,,,,,,,0.0,0.0
CCc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)c1,CID3237962,,0.0,0.0,,,,0.0,,,,,,0.0,,,0.0,0.0
COc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)cc1OC,CID3239202,,,,,0.0,,0.0,,,,,,,,,,
COc1ccc(OC)c(NC(=O)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)c1,CID3240152,,,0.0,,0.0,0.0,,,,,,,,,,,
COc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2c(C)noc2C)cc1,CID3243715,,,0.0,,,,,,,,,,0.0,,,0.0,0.0
Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)cc1C,CID3240782,,,0.0,,,,,,,,,,,,,0.0,
COc1cc(NC(=O)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)cc(OC)c1,CID3244912,,0.0,,0.0,0.0,,,0.0,,,,,0.0,,,0.0,0.0
Cc1nnc(SCCn2c(N3CCCCC3)nc3c2c(=O)[nH]c(=O)n3C)s1,CID649894,,,,,0.0,,,,,,0.0,,,,,,0.0
Cc1nnc(SCCn2c(N3CCCC(C)C3)nc3c2c(=O)[nH]c(=O)n3C)s1,CID666669,,,,0.0,,,,,,,0.0,0.0,,,,,0.0
Cc1nnc(SCCn2c(N3CCCC(C)C3)nc3c2c(=O)n(C)c(=O)n3C)s1,CID5049897,0.0,0.0,,,,,,,,,,,,,,0.0,
Cc1nnc(SCCn2c(N3CCC(C)CC3)nc3c2c(=O)[nH]c(=O)n3C)s1,CID665970,,,,,0.0,,0.0,,,,,0.0,,,,0.0,0.0
Cc1nnc(SCCn2c(N3CC(C)CC(C)C3)nc3c2c(=O)n(C)c(=O)n3C)s1,CID667274,,,,,,,,,,0.0,,,,,,,0.0
Cc1nnc(SCCn2c(N3CCC(C)CC3)nc3c2c(=O)n(C)c(=O)n3C)s1,CID666573,,0.0,0.0,0.0,0.0,,,,,,,0.0,,,,0.0,0.0
Cc1nnc(SCCn2c(N3CCCCC3)nc3c2c(=O)n(C)c(=O)n3C)s1,CID652360,,0.0,,,0.0,,,,,,,0.0,,,,0.0,0.0
Cc1nnc(SCCn2c(N3CC(C)CC(C)C3)nc3c2c(=O)[nH]c(=O)n3C)s1,CID663936,,,0.0,,,,,,0.0,,,0.0,0.0,,,0.0,
CCOC(=O)C1C2C=CC3(CN(CCCOC)C(=O)C13)O2,CID5389710,,,,,,,,,,,,,0.0,0.0,,,
CCCN1CC23C=CC(O2)C(C(=O)O)C3C1=O,CID3157050,,,,,,,0.0,,,,,,,,,0.0,
CCOC(=O)CN1CC23C=CC(O2)C(C(=O)O)C3C1=O,CID3151656,,,,,,,,,,,,,,,,0.0,
COC(=O)C1C2C=CC3(CN(C(C)C)C(=O)C13)O2,CID3154614,,,,,,,,0.0,,0.0,,,,,,,0.0
CCCCOC(=O)C1C2C=CC3(CN(CCCOC)C(=O)C13)O2,CID5389826,,,,,,,0.0,,,,0.0,,,,,,
CCCCCOC(=O)C1C2C=CC3(CN(CCCOC)C(=O)C13)O2,CID5389820,,,,,,,,,,,,,,,,0.0,
COCCCN1CC23C=CC(O2)C(C(=O)OC)C3C1=O,CID649372,,,,,,,0.0,,,,,,,,,,0.0
CCC(C)N1CC23C=CC(O2)C(C(=O)OC)C3C1=O,CID3154649,,,,,,,,,,0.0,,,,,,,
O=C(c1ccccc1)N(Cc1cccs1)C1CCS(=O)(=O)C1,CID664074,,,0.0,,,,,,0.0,0.0,,,,0.0,0.0,,
CCOc1ccccc1C(=O)N(Cc1cccs1)C1CCS(=O)(=O)C1,CID665703,,,0.0,,0.0,0.0,0.0,,0.0,,,,,,,,
CCCOc1ccccc1C(=O)N(Cc1cccs1)C1CCS(=O)(=O)C1,CID665548,,,0.0,,,0.0,0.0,,,,,,0.0,,,,
O=C(c1ccc(Cl)cc1)N(Cc1cccs1)C1CCS(=O)(=O)C1,CID2944957,,,,,,,,,0.0,,,,,,,,
O=C(c1cccc(Cl)c1)N(Cc1cccs1)C1CCS(=O)(=O)C1,CID662244,,,,,,,,,0.0,,0.0,,,,,,
COc1ccccc1C(=O)N(Cc1cccs1)C1CCS(=O)(=O)C1,CID662405,,,,,0.0,,0.0,,0.0,,,,0.0,0.0,0.0,,
CCCCOc1cccc(C(=O)N(Cc2cccs2)C2CCS(=O)(=O)C2)c1,CID662983,,,,0.0,,0.0,,,,,,,0.0,,0.0,,0.0
CCCOc1cccc(C(=O)N(Cc2cccs2)C2CCS(=O)(=O)C2)c1,CID663435,,,,,,,,,,0.0,,,,,0.0,,
COC(=O)c1cc(NC(=O)C23CCC(C)(C(=O)O2)C3(C)C)cc(C(=O)OC)c1,CID2950863,,,,,,,0.0,0.0,,,,,,,,,0.0
COC(=O)c1ccccc1NC(=O)C12CCC(C)(C(=O)O1)C2(C)C,CID2941649,,,0.0,,,,0.0,0.0,,,,,,,,,0.0
COC(=O)c1ccccc1N(C)C(=O)C12CCC(C)(C(=O)O1)C2(C)C,CID2981432,,,,,,,0.0,0.0,,,,,,,,,
COc1ccc(OC)c(NC(=O)C23CCC(C)(C(=O)O2)C3(C)C)c1,CID2981504,,,,,,,,,,,,,,,,0.0,0.0
COc1ccc(NC(=O)C23CCC(C)(C(=O)O2)C3(C)C)cc1,CID2942221,,,,,,,,,,,,,0.0,,,0.0,
COC(=O)c1ccc(NC(=O)C23CCC(C)(C(=O)O2)C3(C)C)cc1,CID2898250,,,,,,,,,,,,0.0,,,,,0.0
COc1ccc(Cl)cc1NC(=O)C12CCC(C)(C(=O)O1)C2(C)C,CID2982260,,,,,,,,,,0.0,,,,0.0,,,
CCOC(=O)c1ccc(NC(=O)C23CCC(C)(C(=O)O2)C3(C)C)cc1,CID2920929,,,,,,,0.0,0.0,,,,,0.0,,,,0.0
Cc1ccc(-n2c(Cc3cccs3)n[nH]c2=S)c(C)c1,CID748042,,,,,,,,,,,,,,,0.0,,
S=c1[nH]nc(Cc2cccs2)n1-c1ccccc1,CID963092,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccc(C)c(-n2c(Cc3cccs3)n[nH]c2=S)c1,CID899576,,,,,,,,,,,,,,,0.0,,
Fc1ccc(-n2c(Cc3cccs3)n[nH]c2=S)cc1Cl,CID1258345,,,,,,,,,,,,,,0.0,,,
S=c1[nH]nc(Cc2cccs2)n1-c1ccccc1Cl,CID1830901,,,,,,,,,,,,,,0.0,,,
COc1ccccc1-n1c(Cc2cccs2)n[nH]c1=S,CID893090,,,,,,,,,,,,,,,0.0,,
Cc1ccccc1-n1c(Cc2cccs2)n[nH]c1=S,CID707418,,,,,,,,,,,,,,0.0,,,
CCCCc1ccc(-n2c(Cc3cccs3)n[nH]c2=S)cc1,CID1616727,,,,,,,,,,,,,,0.0,,,
Cc1ccc(-c2cc(C(=O)O)c3cc(Br)ccc3n2)o1,CID753116,,,,,,,,,,,,,,,0.0,,
CC(C)CCNC(=O)c1cc(-c2ccco2)nc2ccccc12,CID2333725,,,,,,,,,,,,0.0,,,,,
O=C(O)c1cc(-c2ccco2)nc2ccc(Br)cc12,CID686152,0.0,,,,,,,,,,0.0,,,,0.0,,
Cc1cc(C)c2nc(-c3ccco3)cc(C(=O)O)c2c1,CID865220,,,,,,,,,,,,,,0.0,0.0,,
CCN(CC)C(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12,CID2096417,,,,,,,,,,,,,,0.0,,,
COC(=O)c1cc(-c2ccc(C)o2)nc2ccccc12,CID842067,,,,,,,,,,,,,,0.0,0.0,,
O=C(O)c1cc(-c2ccco2)nc2ccccc12,CID697640,,,,,,0.0,,,,,,,0.0,,0.0,,
CCCCCCNC(=O)c1cc(-c2ccco2)nc2ccccc12,CID1742630,,,,,,,,,,,,,,,0.0,,
O=C(C1CC1)N1CCN=C1SCc1ccc(F)cc1,CID4351845,,,,0.0,,,,,,,,,,,,,
O=C(C1CC1)N1CCN=C1SCc1ccccc1Cl,CID5085871,0.0,0.0,,,0.0,0.0,,,,,,,,,,,
O=C(C1CC1)N1CCN=C1SCc1ccccc1,CID4547450,,,,,0.0,,,,,,0.0,,,,,,
Cc1cccc(CSC2=NCCN2C(=O)C2CC2)c1,CID3238325,0.0,0.0,,0.0,0.0,0.0,,,,,,,,,,,
Cc1ccc(CSC2=NCCN2C(=O)C2CC2)cc1,CID3238949,0.0,,,0.0,0.0,,0.0,,,,,,,,,,
O=C(C1CC1)N1CCN=C1SCc1cccc(F)c1,CID4230313,,,0.0,0.0,,,,,,,,,,,,,0.0
O=C(C1CC1)N1CCN=C1SCc1cccc(C(F)(F)F)c1,CID3240340,0.0,,,,0.0,,,0.0,,,,0.0,,,,0.0,0.0
O=C(C1CC1)N1CCN=C1SCc1ccc(Cl)cc1,CID3244427,0.0,0.0,,,0.0,,,,,,,0.0,,,,,0.0
Cc1ccc(OCC(=O)NS(=O)(=O)c2ccccc2)cc1,CID737538,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)NC(=O)COc2ccccc2)cc1,CID829874,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)NC(=O)COc2ccccc2C)cc1,CID829872,,,,,,,,,0.0,,,0.0,,0.0,,,
CC(=O)Nc1cccc(OCC(=O)NS(=O)(=O)c2ccc(Cl)cc2)c1,CID1266501,0.0,,,0.0,,,,,0.0,,0.0,,,,,,0.0
CC(=O)Nc1cccc(OCC(=O)NS(=O)(=O)c2ccc(C)cc2)c1,CID1034416,,,,,0.0,,,,,,,0.0,0.0,,,,
NC(=O)c1ccccc1OCC(=O)NS(=O)(=O)c1ccc(Cl)cc1,CID1248318,,,,,,,,,0.0,,,0.0,,,,,
Cc1ccc(S(=O)(=O)NC(=O)COc2ccccc2C(N)=O)cc1,CID829972,,,,0.0,,,0.0,,0.0,,,,,0.0,,,
NC(=O)c1ccccc1OCC(=O)NS(=O)(=O)c1ccccc1,CID829973,,,,0.0,,,0.0,0.0,,,,,,,,0.0,
CCN(CC)c1ccc(NC(=O)CC2Oc3ccccc3NC2=O)c(C)c1,CID5308803,,,0.0,,,0.0,0.0,0.0,,,,,0.0,,,,
Cc1ccc(NC(=O)CC2Oc3ccc(C)cc3NC2=O)cc1,CID5308777,,0.0,,,,,,,,,0.0,,,,,,
CC(=O)c1cccc(NC(=O)CC2Oc3ccc(C)cc3NC2=O)c1,CID5308072,0.0,,,0.0,,0.0,,0.0,,,,0.0,,,,,
Cc1ccc(NC(=O)CC2Oc3ccccc3NC2=O)c(C)c1,CID5308479,0.0,,,,,,,0.0,,,,,,,,,
COc1ccc(NC(=O)CC2Oc3ccc(C)cc3NC2=O)cc1,CID5308289,,0.0,,,,0.0,,,,,,,0.0,,,,
CCOc1ccc(OCC)c(NC(=O)CC2Oc3ccc(C)cc3NC2=O)c1,CID5308701,0.0,,,,,,0.0,,,,,,0.0,,,,
CCOc1ccc(OCC)c(NC(=O)CC2Oc3ccccc3NC2=O)c1,CID5308575,0.0,,,,,,,,,,,,,,,,
COc1ccc(NC(=O)CC2Oc3ccccc3NC2=O)cc1,CID5307587,0.0,,0.0,,,,,0.0,,,0.0,,0.0,,,,
CC(C)(C)c1ccc(OCC(=O)NC2CCS(=O)(=O)C2)cc1,CID2939594,,,,0.0,,,0.0,0.0,0.0,,,,,,,,
Cc1ccc(OCC(=O)NC2CCS(=O)(=O)C2)cc1,CID3129054,,,,,,,,,0.0,0.0,0.0,,,,,,
CCc1ccc(OCC(=O)N(C)C2CCS(=O)(=O)C2)cc1,CID2729771,,0.0,,,,,0.0,,0.0,,0.0,,,,,,
CN(C(=O)COc1cccc(Br)c1)C1CCS(=O)(=O)C1,CID3236331,,,,,,,0.0,,0.0,,,,,,,0.0,
CC(C)CCOc1cccc(OCC(=O)NC2CCS(=O)(=O)C2)c1,CID650708,,,0.0,0.0,,,,0.0,0.0,,,,0.0,,,0.0,0.0
CCCCN(C(=O)COc1ccc(NC(C)=O)cc1)C1CCS(=O)(=O)C1,CID4969592,,,,,,,,,,,,,,,0.0,,
CC(=O)c1ccc(OCC(=O)NC2CCS(=O)(=O)C2)cc1,CID3241271,,0.0,,,,,,,0.0,,,,,,,0.0,
CC(C)CCOc1cccc(OCC(=O)N(C)C2CCS(=O)(=O)C2)c1,CID649793,,,,,,0.0,0.0,0.0,0.0,,,,0.0,,,0.0,
O=C1CN(c2ccccc2Cl)C(=O)CN1c1ccccc1Cl,CID970835,0.0,,,0.0,,,,,,,,,0.0,0.0,,,0.0
Cc1ccc(C)c(N2CC(=O)N(c3cc(C)ccc3C)CC2=O)c1,CID978087,0.0,,0.0,,,,0.0,,0.0,,,0.0,,,,,
Cc1ccccc1N1CC(=O)N(c2ccccc2C)CC1=O,CID915682,,,,,,,,,,,,,,,0.0,,
Cc1cccc(C)c1N1CC(=O)N(c2c(C)cccc2C)CC1=O,CID917072,,,,,,,,,,,,0.0,,,,,
CCOc1ccc(N2CC(=O)N(c3ccc(OCC)cc3)CC2=O)cc1,CID1897190,,,,,,,,,,,,,,0.0,,,
Cc1cccc(N2CC(=O)N(c3cccc(C)c3)CC2=O)c1,CID658618,,0.0,,,,,,,0.0,,,0.0,,,0.0,,
O=C1CN(c2ccccc2F)C(=O)CN1c1ccccc1F,CID969979,0.0,,,0.0,,,,,,,,,,,,,0.0
COc1ccc(N2CC(=O)N(c3ccc(OC)c(OC)c3)CC2=O)cc1OC,CID660109,,,,,,0.0,0.0,,0.0,,,,,,,,
CCCCCC(=O)N1CCN(CCNC=C2C(=O)CC(c3ccc(OC)cc3)CC2=O)CC1,CID662847,,,,,,,,,,,,,,,,,0.0
O=C1CC(c2ccc(Cl)c(Cl)c2)CC(=O)C1=CNCCN1CCNCC1,CID2172176,0.0,,,,,,0.0,,0.0,,,,,,,,
COc1ccc(C2CC(=O)C(=CNCCN3CCNCC3)C(=O)C2)cc1OC,CID1910104,,0.0,,,,,0.0,0.0,,,,,0.0,,,,
CCCCCC(=O)N1CCN(CCNC=C2C(=O)CC(c3ccc(OC)c(OC)c3)CC2=O)CC1,CID662338,,,0.0,,,,,,0.0,,,,0.0,,,,
O=C1CC(c2ccc(Cl)cc2)CC(=O)C1=CNCCN1CCNCC1,CID1624026,,,0.0,,,,0.0,,,,,,,,,0.0,
O=C1CC(c2ccccc2)CC(=O)C1=CNCCN1CCNCC1,CID1818132,,,,,,,,,,,,,0.0,,,,
COc1ccc(C2CC(=O)C(=CNCCN3CCN(C(C)=O)CC3)C(=O)C2)cc1OC,CID2915717,,0.0,,,,,,,,,,,,,,,
CC(=O)N1CCN(CCNC=C2C(=O)CC(c3ccc(Cl)cc3)CC2=O)CC1,CID2168816,,,0.0,0.0,,,,,,,,,,,,0.0,0.0
Cc1ccc(S(=O)(=O)C(C#N)c2nc3ccccc3nc2N2CCCCC2)cc1,CID662840,,,,,,,,,0.0,,,,,,,0.0,
CC1CCCN(c2nc3ccccc3nc2C(C#N)S(=O)(=O)c2ccccc2)C1,CID662247,,,,,,,,,,,0.0,,,,,,
COc1ccc(S(=O)(=O)C(C#N)c2nc3ccccc3nc2N2CCCC(C)C2)cc1,CID664508,,0.0,,,,,,,,0.0,,,,,,0.0,0.0
N#CC(c1nc2ccccc2nc1N1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1,CID661063,0.0,0.0,,0.0,0.0,,,,0.0,,,,,,,,0.0
CC1CCN(c2nc3ccccc3nc2C(C#N)S(=O)(=O)c2ccccc2)CC1,CID663310,,,,,,,0.0,,,,,,0.0,,,,
Cc1ccc(S(=O)(=O)C(C#N)c2nc3ccccc3nc2N2CCC(C)CC2)cc1,CID661002,0.0,,0.0,0.0,,,0.0,,,,,,,,,0.0,0.0
COc1ccc(S(=O)(=O)C(C#N)c2nc3ccccc3nc2N2CCC(C)CC2)cc1,CID664381,,,,,,,,,,,,,,,,0.0,0.0
COc1ccc(S(=O)(=O)C(C#N)c2nc3ccccc3nc2N2CCCCC2)cc1,CID664159,,,,,,,,,,,,,,,,,0.0
CCn1c(SCC(=O)Nc2nccs2)nnc1-c1ccccc1,CID865398,0.0,0.0,,,0.0,,0.0,,0.0,0.0,,,,,,,0.0
Cc1ccc(-c2nnc(SCC(=O)Nc3nccs3)n2N)cc1,CID1815686,,,,,,,,,0.0,,,0.0,,,,,
Cc1csc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2N)n1,CID2224938,,,,,,,,,,,0.0,,,,,,
CCn1c(SCC(=O)Nc2nccs2)nnc1-c1ccc(C)cc1,CID1305639,0.0,,,0.0,0.0,,0.0,,,0.0,,,,,,,0.0
CCOC(=O)c1sc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2CCOC)nc1C,CID655657,,0.0,0.0,0.0,0.0,,0.0,,,,,,,,,0.0,0.0
CCOC(=O)Cc1csc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2C)n1,CID652303,,0.0,0.0,0.0,0.0,0.0,0.0,,0.0,,,,,,,0.0,
CCC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3nccs3)n2C)cc1,CID646718,,0.0,,0.0,,0.0,,,,,,,,,,0.0,0.0
CCC(Sc1nnc(-c2ccc(C)c(Cl)c2)n1CC)C(=O)Nc1nccs1,CID2952324,,0.0,,,,,,,0.0,,,,,,0.0,,
CC(NC(=O)c1cnc2n(c1=O)CCS2)c1ccccc1,CID3244968,,,,,,,,0.0,,,,,0.0,,,,0.0
O=C(NCc1ccccc1)c1cnc2n(c1=O)CCS2,CID3235738,,0.0,,0.0,,,,,,0.0,,0.0,,,,,0.0
CCCCN(Cc1ccccc1)C(=O)c1cnc2n(c1=O)CCS2,CID3235658,,,,,,0.0,0.0,,,,0.0,,0.0,,,0.0,0.0
O=C(NCc1ccccc1Cl)c1cnc2n(c1=O)CCS2,CID3443362,0.0,0.0,,0.0,0.0,,,,,,,,,,,0.0,
COc1ccc(CNC(=O)c2cnc3n(c2=O)CCS3)cc1,CID4582696,,,,,,,,0.0,,0.0,,,,,,0.0,
CN(Cc1ccccc1)C(=O)c1cnc2n(c1=O)CCS2,CID3236249,,,,,,,0.0,,,,,,,,,,
O=C(NCc1ccc(F)cc1)c1cnc2n(c1=O)CCS2,CID5013256,,,,,,,,0.0,,,,,,,,0.0,
CC(C)N(Cc1ccccc1)C(=O)c1cnc2n(c1=O)CCS2,CID4150639,,,,0.0,,,,0.0,,,,,,,,,
O=C(Cc1ccc(F)cc1)Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)C2,CID2160217,0.0,,0.0,0.0,0.0,0.0,0.0,,,,,0.0,0.0,,,,
COc1ccc(CC(=O)Nc2c3c(nn2-c2cccc(C)c2C)CS(=O)C3)cc1OC,CID2160213,,,,,0.0,0.0,,,,,,,,,,0.0,
O=C(Cc1ccc(F)cc1)Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)C2,CID2050860,0.0,,,,0.0,,,0.0,,,0.0,,,,,,0.0
COc1ccc(-n2nc3c(c2NC(=O)Cc2cccc(C)c2)CS(=O)C3)cc1,CID2160236,0.0,,,,0.0,,,0.0,,,,,,,,,0.0
Cc1cccc(CC(=O)Nc2c3c(nn2-c2cccc(Cl)c2)CS(=O)C3)c1,CID2160234,0.0,,,0.0,0.0,,,,,,,0.0,0.0,,0.0,,
COc1ccc(CC(=O)Nc2c3c(nn2-c2cccc(C)c2C)CS(=O)C3)cc1,CID2160307,,0.0,0.0,,0.0,0.0,,,,0.0,,,,,,,0.0
COc1ccc(CC(=O)Nc2c3c(nn2-c2cccc(Cl)c2)CS(=O)C3)cc1,CID2160304,0.0,,0.0,,0.0,,,,,,0.0,0.0,,,,,
COc1ccc(CC(=O)Nc2c3c(nn2-c2ccccc2C)CS(=O)C3)cc1,CID2160308,0.0,,,0.0,0.0,,,,,,,,,0.0,,,0.0
Cc1cc(C)nc(NC2=NCC(=O)N2c2ccccc2)n1,CID658477,0.0,,0.0,0.0,,,,0.0,,,,0.0,,,0.0,,
Cc1cc(C)nc(NC2=NCC(=O)N2c2ccc(Cl)cc2)n1,CID658606,0.0,0.0,0.0,,,,0.0,,,,,,,,,0.0,
Cc1cc(C)nc(NC2=NCC(=O)N2c2ccccc2Br)n1,CID1214069,,,,,,,,,0.0,,0.0,,,,,0.0,0.0
COc1ccc(N2C(=O)CN=C2Nc2nc(C)cc(C)n2)cc1OC,CID742639,,,,,,,,,,0.0,,,,,,,
COc1ccc(N2C(=O)CN=C2Nc2nc(C)cc(C)n2)cc1,CID658574,,0.0,,0.0,,,0.0,,,,0.0,0.0,,,,0.0,
Cc1cc(C)nc(NC2=NCC(=O)N2c2cccc(Cl)c2)n1,CID658566,,,,,,,0.0,,,,,,,,0.0,0.0,
Cc1cc(C)nc(NC2=NCC(=O)N2c2ccc(F)c(Cl)c2)n1,CID714358,0.0,0.0,0.0,,,,,,,,,,,0.0,,0.0,
COC(=O)c1cc(C(=O)OC)cc(N2C(=O)CN=C2Nc2nc(C)cc(C)n2)c1,CID1267183,,,,,,,,0.0,,,,,0.0,,,,
COc1cc(C)c(Cl)c(C)c1S(=O)(=O)NC1CC(C)(C)NC(C)(C)C1,CID1288004,,,,,,,,,,,,,,0.0,,,
COc1ccc(F)cc1S(=O)(=O)NC1CC(C)(C)NC(C)(C)C1,CID2142207,,,0.0,,0.0,,,0.0,,0.0,,,,,,,0.0
COc1cc(C)c(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)cc1C,CID653046,,,,,0.0,,,0.0,,,,,0.0,,,,
CCOc1ccc(OCC)c(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)c1,CID1091002,,,,,,,,,,,,,,,0.0,,
CCOc1cc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)ccc1F,CID1242868,,,,0.0,,,0.0,,,0.0,,,,,,,0.0
COc1ccc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)c(C)c1C,CID991858,,,,,0.0,,,,,,,,,,,,0.0
COc1ccc(S(=O)(=O)N(C)C2CCN(C)CC2)cc1,CID715058,,,0.0,,,,0.0,,,,,,,,,,
CC1(C)CC(NS(=O)(=O)c2ccccc2)CC(C)(C)N1,CID728839,,0.0,0.0,0.0,0.0,,,0.0,,,,,,0.0,,,
Nn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccccc1,CID380675,,,,,,0.0,,,,0.0,0.0,,,,,,
CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccccc1OC,CID665365,0.0,,0.0,,0.0,0.0,0.0,0.0,0.0,,,,,,,,
CCOc1ccc(-c2nnc(SCc3nc4ccccc4[nH]3)n2N)cc1,CID1989955,,,,,,,,,,,0.0,,,,,,
COc1ccccc1-c1nnc(SCc2nc3ccccc3[nH]2)n1C,CID1264561,,,0.0,,0.0,,,0.0,,0.0,,,,,,,
CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccc(OC)cc1,CID2039735,,,,,,0.0,,,,,0.0,,,,,,
C=CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccc(OC)cc1,CID1241061,,,,,,,,,,,,,,,0.0,,
COc1cccc(-c2nnc(SCc3nc4ccccc4[nH]3)n2N)c1,CID1242229,,,0.0,,,,,,,,0.0,,0.0,,,0.0,
C=CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1cccc(OC)c1,CID3809942,,,,,,0.0,,,,0.0,,,,,,,
COc1ccccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)nc1N,CID2222458,0.0,,,0.0,0.0,,,0.0,,0.0,,,,,,0.0,
N#Cc1cccc(-c2cn(S(=O)(=O)c3ccc(Cl)cc3)nc2N)c1,CID1259020,,0.0,0.0,,0.0,,,,,,,0.0,0.0,,,0.0,0.0
Nc1nn(S(=O)(=O)c2ccccc2)cc1-c1cccc([N+](=O)[O-])c1,CID935381,,,,,,,,,,,,,,,0.0,,
COc1ccc(OC)c(-c2cn(S(=O)(=O)c3ccccc3)nc2N)c1,CID2237272,,,,,,,,,0.0,,0.0,,,0.0,,,
CCOc1ccc(S(=O)(=O)n2cc(-c3ccc(F)cc3)c(N)n2)cc1,CID1299852,,,,,,,,,,0.0,,,,,,,
CCOc1cc(S(=O)(=O)n2cc(-c3ccc(F)cc3)c(N)n2)cc(OCC)c1OCC,CID1259349,,,,,,,,,,,,,0.0,,,,
COc1ccccc1-c1cn(S(=O)(=O)c2ccc(F)cc2)nc1N,CID2224298,0.0,,0.0,,0.0,,0.0,,,0.0,,,,0.0,,,0.0
Cc1ccc(-c2cn(S(=O)(=O)c3cccc([N+](=O)[O-])c3)nc2N)cc1,CID1256380,,,,,,,,,,,,,,0.0,,,
NCCNC1=NS(=O)(=O)c2ccccc21,CID1987855,,,,,,,,,,,0.0,,,,0.0,,
O=S1(=O)N=C(SCCO)c2ccccc21,CID653776,,,0.0,0.0,,0.0,0.0,,,0.0,,,,,,,
C=CCOCCN(CCOCC=C)C1=NS(=O)(=O)c2ccccc21,CID1813803,,,,,,,,,,,,,,,0.0,,
CC(C)C(=O)OCCNC1=NS(=O)(=O)c2ccccc21,CID2892154,,,,,,0.0,,,,,,,,,,,
CC(C)CCNC(=O)NC(=O)COC(=O)CCNC1=NS(=O)(=O)c2ccccc21,CID4832712,,,,,,,,,,,,,,,0.0,,
COC(=O)CSC1=NS(=O)(=O)c2ccccc21,CID684123,,,,,,,0.0,,,0.0,0.0,,,0.0,,,
CC(C)(C)CC(C)(C)NC1=NS(=O)(=O)c2cc([N+](=O)[O-])ccc21,CID2883298,,,,,,0.0,,,,,,,,,,,
CC(C)(C)SCCNC1=NS(=O)(=O)c2ccccc21,CID2266061,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1ccc(NC(=O)C2C3CCC(C3)C2C(=O)O)cc1,CID2883147,,,,,,,,,,0.0,,,,,,,0.0
COC(=O)c1cccc(NC(=O)C2C3CCC(C3)C2C(=O)O)c1,CID2933651,,,,,,,0.0,0.0,,,0.0,,,,,,
CCN(CC)c1ccc(NC(=O)C2CC3CCC2C3)cc1,CID2933368,,,,,,,,0.0,,,,,0.0,,,,
CC(=O)Nc1cccc(NC(=O)C2CC3CCC2C3)c1,CID2849873,,,,0.0,,,0.0,,,0.0,,,,,,,0.0
O=C(O)c1ccc(NC(=O)C2C3CCC(C3)C2C(=O)O)cc1,CID2883101,,,,,,,,,,,,,,,,,0.0
COC(=O)c1ccc(NC(=O)C2C3CCC(C3)C2C(=O)O)cc1,CID2883169,,,,0.0,,,,0.0,,,,,,,,,
COc1ccc(NC(=O)C2C3CCC(C3)C2C(=O)O)cc1OC,CID2887398,,,,,,,,0.0,0.0,0.0,,,,,,,0.0
CC(C)COC(=O)c1ccc(NC(=O)C2C3CCC(C3)C2C(=O)O)cc1,CID2883044,,,0.0,,,,,0.0,0.0,,,,,,,,
CCCOc1ccc(-c2nnc(NC(=O)Nc3ccc(Cl)cc3)s2)cc1,CID5347782,,,,,,0.0,,,,,,,,,,,
CCCOc1cccc(-c2nnc(NC(=O)Nc3cccc(Cl)c3)s2)c1,CID1947308,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-c2nnc(NC(=O)Nc3cccc(Cl)c3)s2)cc1C,CID1368010,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(-c2nnc(NC(=O)Nc3ccccc3)s2)cc1,CID792638,,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccccc1)Nc1nnc(-c2ccccc2)s1,CID794903,,,,,,0.0,,,,,,,,,,,
Cc1ccccc1-c1nnc(NC(=O)Nc2ccccc2)s1,CID808847,,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccccc1)Nc1nnc(-c2ccc(Cl)cc2)s1,CID808846,,,,,,0.0,,,,,,,,,,,
CC(C)(C)c1ccc(-c2nnc(NC(=O)Nc3ccccc3)s2)cc1,CID1354998,,,,,,0.0,,,,,,,,,,,
Cc1cccc(N2C(=O)CC(=O)NC2=O)c1,CID2275401,,,0.0,,,,,,,,,,0.0,,,,
Cc1ccc(N2C(=O)CC(=O)NC2=O)cc1,CID2244546,,,0.0,,,,0.0,,,,,,,,,,
Cc1cc(Br)ccc1N1C(=O)CC(=O)NC1=O,CID1345801,0.0,,,,,,,,0.0,,0.0,,,,,0.0,
COc1cccc(N2C(=O)CC(=O)NC2=O)c1,CID2277460,,,0.0,,,,,,0.0,,,,,,,,
CCOc1cccc(N2C(=O)CC(=O)NC2=O)c1,CID2275219,,,,,,,,,0.0,,,,0.0,,,,0.0
COc1ccc(N2C(=O)CC(=O)NC2=O)cc1,CID2179734,,,,,,,,0.0,0.0,,,,0.0,,,,
Cc1ccccc1N1C(=O)CC(=O)NC1=O,CID2179721,,,,0.0,,,,,,,,,,,,,
O=C1CC(=O)N(c2cccc(Cl)c2)C(=O)N1,CID652966,,,,,,,,,,,,,,0.0,,0.0,0.0
CCOC(=O)Cn1c(=O)c2c(nc3n2CCCCN3c2ccc(C)cc2)n(C)c1=O,CID652214,,,,,,,,0.0,,,,,,,,,
CCCCOC(=O)Cn1c(=O)c2c(nc3n2CCCCN3c2ccc(C)cc2)n(C)c1=O,CID657697,,,,,,,,0.0,,,,0.0,,,0.0,,
Cc1ccc(N2CCCCn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1,CID657564,,0.0,,,,,,0.0,,,,,,,0.0,,
COc1ccc(N2CCCCn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1,CID655449,,,,,,,,,,,,,0.0,,,,
Cc1ccc(N2CCCCn3c2nc2c3c(=O)n(CC(=O)O)c(=O)n2C)cc1,CID667286,,,,,,,,0.0,,,,,,,,,
COc1ccc(N2CCCCn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1,CID646361,,,0.0,,,,,0.0,,0.0,,,,,,,
CCOc1ccc(N2CCCCn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1,CID645143,,,,,,0.0,,,,,,,0.0,,,,
CCOC(=O)Cn1c(=O)c2c(nc3n2CCCCN3c2ccc(OCC)cc2)n(C)c1=O,CID660613,0.0,,,,,,,,,,,,,,,,
CCOC(=O)Cn1nnnc1CN(Cc1ccccc1)Cc1cc2cc(CC)ccc2[nH]c1=O,CID655748,,,,,,,,,,0.0,,,,,,,
CCC(c1nnnn1CCOC)N(Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O,CID652804,,,,,,,,,,0.0,,0.0,,0.0,,,
CCOC(=O)Cn1nnnc1CN(Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O,CID654758,,,0.0,,,,,,0.0,0.0,,,,,,,0.0
CCOC(=O)Cn1nnnc1C(CC)N(Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O,CID3200800,,,,,,,,,,0.0,,0.0,,0.0,,,
CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(OC)cc3)Cc3nnnn3CCOC)cc2c1,CID645419,,,,,,,,,,0.0,,,,,,,
CCOC(=O)Cn1nnnc1CN(Cc1ccc(OC)cc1)Cc1cc2cc(CC)ccc2[nH]c1=O,CID651407,,0.0,,,,,,,,,,0.0,,,,,0.0
CCOC(=O)Cn1nnnc1CN(Cc1ccc(OC)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O,CID644819,,,,,,,,,,,,0.0,,,,,
COCCn1nnnc1C(C(C)C)N(Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O,CID656364,,,0.0,,,,,,,0.0,,,,,,,
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCc1cccnc1,CID882421,,,,,,,,,,,,,,0.0,,,
COc1ccc(Br)cc1/C=C\C(=O)NCc1cccnc1,CID2268116,,,,,,,,,,,,,,,0.0,,
COc1ccccc1/C=C/C(=O)NCc1cccnc1,CID892928,,,,,,,,,,,,,,0.0,,,
COc1ccc(/C=C/C(=O)NCc2cccnc2)cc1,CID764040,,,,,,,,,,,,,,0.0,,,
N#C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)NCc1cccnc1,CID789431,,,,,,,,,,,,,,0.0,0.0,,
O=C(/C=C/c1ccccc1[N+](=O)[O-])NCc1cccnc1,CID890933,,,,,,,,,,,,,,,0.0,,
COc1cc(/C=C/C(=O)NCc2cccnc2)cc(OC)c1OC,CID1122605,,,,,,,,,,,,0.0,,,0.0,,
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCc1cccnc1,CID681535,,,,,,,,,,,,0.0,,,,,
CCOC(=O)Cn1/c(=N/C(=O)CN2C(=O)CCC2=O)sc2cc(S(N)(=O)=O)ccc21,CID3563927,,,,,,,,,,,,,,,0.0,,
C=CCn1/c(=N/C(=O)CN2C(=O)CCC2=O)sc2cccc(OC)c21,CID2151248,,,,,,,,,,0.0,,,,,,,
C#CCn1/c(=N/C(=O)CN2C(=O)CCC2=O)sc2cccc(C)c21,CID5310430,,,,,,,0.0,0.0,,,,,,,,,
CCn1/c(=N/C(=O)CN2C(=O)CCC2=O)sc2c(C)cc(C)cc21,CID2151001,,0.0,0.0,,,0.0,0.0,0.0,,,,,0.0,,,,
COC(=O)Cn1/c(=N/C(=O)CN2C(=O)CCC2=O)sc2cc(S(N)(=O)=O)ccc21,CID4377393,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C)c2c1s/c(=N\C(=O)CN1C(=O)CCC1=O)n2C,CID2150997,,,,,,,0.0,,,,,0.0,,,,,
COc1ccc(OC)c2c1s/c(=N\C(=O)CN1C(=O)CCC1=O)n2C,CID2150999,,,0.0,,,,,,,,0.0,,,,,,0.0
CCn1/c(=N/C(=O)CN2C(=O)CCC2=O)sc2c(OC)ccc(OC)c21,CID2151003,,,,0.0,,,,,,,,,,,,,
O=S(=O)(Nn1cnnc1)c1ccccc1,CID555204,,,,,,,,,,0.0,0.0,,,,,,
CCCCCOC(=O)Nc1ccc(S(=O)(=O)Nn2cnnc2)cc1,CID404502,,,,,,,,,,,,,0.0,,,,
CCOC(=O)Nc1ccc(S(=O)(=O)Nn2cnnc2)cc1,CID404503,,,,0.0,,,,,,,,,,,,,0.0
O=S(=O)(Nn1cnnc1)c1ccccc1Cl,CID647041,,0.0,,,,,,,,,,,0.0,,,,0.0
CCCCOC(=O)Nc1ccc(S(=O)(=O)Nn2cnnc2)cc1,CID1718041,,0.0,,0.0,,,,0.0,,,,,,,,,0.0
CCCOC(=O)Nc1ccc(S(=O)(=O)Nn2cnnc2)cc1,CID1718040,,0.0,0.0,0.0,,,,,,,,,,,,,
COC(=O)CN(n1cnnc1)S(=O)(=O)c1ccccc1Cl,CID778514,,,,,,,,,,,0.0,,,,,,
COC(=O)CN(n1cnnc1)S(=O)(=O)c1ccc(C)cc1,CID918926,,0.0,,0.0,,,,0.0,,,,,,,,,0.0
COc1ccccc1C(=O)NNC(=S)Nc1ccccc1,CID700995,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1NC(=S)NNC(=O)c1cccc(Br)c1,CID1534754,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccc(NC(=S)NNC(=O)c2ccccc2)cc1,CID726331,,,,,,,,,,,,,,0.0,,,
COc1ccccc1NC(=S)NNC(=O)c1ccccc1Br,CID1214213,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC(=S)NNC(=O)c2ccccc2OC(F)F)cc1,CID998491,,,,,,,,,,,,0.0,,,,,
O=C(NNC(=S)Nc1ccccc1)c1cccc(Br)c1,CID1250783,,,,,,,,,,,,,,0.0,,,
Cc1cccc(NC(=S)NNC(=O)c2ccccc2OC(F)F)c1,CID1000490,,,,,,,,,,,,0.0,,,,,
Cc1cccc(NC(=S)NNC(=O)c2ccc(O)cc2O)c1C,CID970389,,,,,,,,,,,,,,,0.0,,
CCN(CC)S(=O)(=O)c1ccc2oc(SCc3ccc(F)cc3)nc2c1,CID2369627,,,,,0.0,,0.0,,,,,,,,,,
COc1ccc(C(C)=O)cc1CSc1nc2ccccc2o1,CID707179,,,,,,,,0.0,0.0,0.0,0.0,,,0.0,,,0.0
O=C(O)c1ccc(CSc2nc3ccccc3o2)cc1,CID585642,,0.0,,,,,0.0,,0.0,0.0,,,,0.0,,,0.0
O=C(O)c1ccccc1CSc1nc2ccccc2o1,CID3845617,,,,,,0.0,,,,,,,,,,,
COC(=O)c1ccc(CSc2nc3cc(Cl)ccc3o2)cc1,CID847941,,,,,,,,,,0.0,,0.0,,,,,
COc1ccc(C(C)=O)cc1CSc1nc2cc(Cl)ccc2o1,CID671388,,,,,,,,,,0.0,,,,0.0,,,
COC(=O)c1ccc(CSc2nc3ccccc3o2)cc1,CID977836,,,,,,,0.0,0.0,0.0,0.0,,0.0,0.0,0.0,0.0,,0.0
O=[N+]([O-])c1ccc(CSc2nc3ccccc3o2)cc1,CID497456,,,,,,,,,,,,0.0,,0.0,,,
Cc1ccc(-c2cc(C(=O)NCCN3CCOCC3)no2)cc1,CID1093792,,0.0,,0.0,,,,,,,,0.0,,,,,
O=C(NCCN1CCOCC1)c1cc(-c2ccc(Br)cc2)on1,CID3243359,0.0,,,,,,,,,,,,,,,0.0,
O=C(NCCN1CCOCC1)c1cc(-c2ccccc2)on1,CID973875,,,,0.0,,,,,,,,0.0,,,0.0,,
COc1ccccc1-c1cc(C(=O)NCCN2CCOCC2)no1,CID3240117,,,,0.0,,0.0,,0.0,,,,0.0,,0.0,,,
O=C(NCCN1CCOCC1)c1cc(-c2ccc(F)cc2)on1,CID3236843,,,,,,,,,,,,0.0,0.0,,,,
O=C(NCCN1CCOCC1)c1cc(-c2ccc(Cl)cc2)on1,CID3241430,0.0,0.0,,0.0,,,,,,,,,,,,0.0,0.0
COc1cccc(-c2cc(C(=O)NCCN3CCOCC3)no2)c1,CID3239467,,,,,,0.0,,0.0,,,,0.0,,,,,
COc1ccc(OC)c(-c2cc(C(=O)NCCN3CCOCC3)no2)c1,CID3245826,,,,,,,,,,0.0,,,0.0,,,,
COc1ccc(OC)c(-n2nnnc2SCC(=O)NCCc2ccccc2)c1,CID649518,,,,0.0,,,,0.0,,,0.0,,,,0.0,0.0,
COc1ccc(CCNC(=O)CSc2nnnn2-c2ccccc2)cc1,CID985316,0.0,0.0,0.0,,0.0,,,,,,0.0,,0.0,,0.0,0.0,
COc1ccc(CCNC(=O)CSc2nnnn2-c2ccccc2)cc1OC,CID982600,0.0,0.0,,0.0,,0.0,,,,,,,,,,0.0,0.0
COc1cccc(-n2nnnc2SCC(=O)NCCc2ccc(OC)c(OC)c2)c1,CID1175528,,,,,,,,,,,,,,,0.0,,
COc1cccc(-n2nnnc2SCC(=O)NCCc2ccccc2)c1,CID651644,0.0,0.0,0.0,0.0,,0.0,,0.0,,,,,,,,0.0,
COc1ccc(-n2nnnc2SCC(=O)NCCc2ccc(OC)c(OC)c2)cc1,CID649879,,,,,,,,,,,0.0,,,,,0.0,
COc1ccc(CCNC(=O)CSc2nnnn2-c2ccc(OC)c(OC)c2)cc1OC,CID1175635,,,,,,,,,,,,,,,0.0,,
COc1ccc(CCNC(=O)CSc2nnnn2-c2ccccc2OC)cc1OC,CID1262825,,,0.0,,,,,,,,,,,,,,
COc1ccc(-c2nnc3n2N=C(C)CS3)cc1,CID931621,,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2nnc3n2N=C(C)CS3)cc1OC,CID662364,,,,,,,,,,,,,,,0.0,,
CC1=Nn2c(nnc2-c2ccccc2)SC1,CID662506,,,,0.0,,,,,,,,,,,,0.0,
CC1=Nn2c(nnc2-c2ccccc2Cl)SC1,CID662686,,0.0,,,0.0,,,,,,,,,,,,
CC1=Nn2c(nnc2-c2ccccc2F)SC1,CID662995,,,,,,,,,,,,,0.0,,,0.0,
CC(C)(C)C1=Nn2c(nnc2-c2ccccc2F)SC1,CID663285,,0.0,,0.0,,,,,,,,,,,,,
COc1ccccc1-c1nnc2n1N=C(C)CS2,CID663262,,,,,,,0.0,,,,,,0.0,,0.0,0.0,
COc1ccccc1-c1nnc2n1N=C(C(C)(C)C)CS2,CID662422,,,,,,,,,,0.0,,,0.0,,,,
Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)C3c2ccc(F)cc2)cc1,CID660166,,,,,,,0.0,,,0.0,,0.0,,,,,
Cc1nn(-c2ccccc2)c2c1C(c1ccccc1)C(C#N)=C(N)O2,CID326810,,,0.0,,,,,0.0,,,,,0.0,,,,
COc1cccc(C2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)c1OC,CID648301,0.0,,0.0,0.0,,0.0,0.0,0.0,0.0,,,,,,,,0.0
Cc1nn(-c2ccccc2)c2c1C(c1ccc(F)cc1F)C(C#N)=C(N)O2,CID657867,0.0,,,,,,,,,,,0.0,,,,,
COc1ccc(OC)c(C2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)c1,CID651315,0.0,0.0,,0.0,,,,0.0,,,,,,,,0.0,0.0
COc1cc(-n2nc(C)c3c2OC(N)=C(C#N)C3c2ccccc2)c(Cl)c(Br)c1O,CID2947766,0.0,,,,,,,,,,,,,,,,0.0
COc1ccc(OC)c(C2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)c1,CID659592,0.0,,,,0.0,,,,,0.0,,,0.0,,,,0.0
Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)C3c2ccccc2F)cc1,CID2865714,,,,0.0,,,,,,,0.0,0.0,,,,,
COCCCNC(=O)C1CC(=O)N(CCc2ccccc2)C1,CID4324228,,,,,,0.0,,,,,,,,,,,
COCCCNC(=O)C1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1,CID3245542,,,0.0,,,,0.0,,,,,,,,,,
COc1ccc(CCN2CC(C(=O)O)CC2=O)cc1,CID2959483,,,,,,,,,,,,0.0,,,,,
CCN(CC)CCNC(=O)C1CCC(=O)N1CCc1ccccc1,CID3242347,,,,,,0.0,,,,,,,,,,,
CCOCCCNC(=O)C1CCC(=O)N1CCc1ccccc1,CID3244414,,,,,0.0,,,0.0,,,,,,,,,0.0
COCCNC(=O)C1CC(=O)N(CCc2ccccc2)C1,CID3238817,,,,0.0,,,,,,0.0,,,0.0,,,,0.0
Cc1ccc(CCN2CC(C(=O)O)CC2=O)cc1,CID4121251,,,,,,,,,,0.0,,,,,,,
CCC(C)NC(=O)C1(C)CCC(=O)N1CCc1ccc(OC)c(OC)c1,CID3240932,,,,0.0,0.0,,,,,,,,0.0,,,,0.0
COc1ccccc1N1CCN(CC(=O)c2c(C)n(C)c3ccccc23)CC1,CID658705,,0.0,,,,,,,,,0.0,,0.0,,,,
COc1ccccc1N1CCN(CC(=O)c2c(C)[nH]c3ccccc23)CC1,CID663861,0.0,,,,,,,,,,,0.0,,,,,0.0
Cc1ccc2[nH]cc(C(=O)CN3CCN(c4ccccc4F)CC3)c2c1,CID1950341,,,,,,,,,,,,0.0,,,,,
COc1ccccc1N1CCN(CC(=O)c2c(C)[nH]c3cc(C)ccc23)CC1,CID660119,0.0,0.0,,0.0,,,,0.0,,,0.0,,,,,,0.0
COc1ccc2c(C(=O)CN3CCN(c4ccccc4)CC3)c[nH]c2c1,CID939595,,,,,,,,,,,0.0,0.0,,,,,
COc1cccc(N2CCN(CC(=O)c3c[nH]c4ccc(OC)cc34)CC2C)c1,CID659843,,,0.0,,,,,,,,,,,,,,0.0
Cc1ccc2c(C(=O)CN3CCN(c4ccccc4)CC3)c(C)[nH]c2c1,CID660035,0.0,,,0.0,,,0.0,0.0,,,,,,,,,0.0
COc1cccc(N2CCN(CC(=O)c3c(C)[nH]c4ccccc34)CC2)c1,CID1259437,,,,,,,,,,,0.0,0.0,,,,,
COc1cccc(/N=C2\SC(C(=O)Nc3ccc(F)cc3)CC(=O)N2C)c1,CID646033,,,,,,,0.0,,,,,,0.0,,,,
CCN1C(=O)CC(C(=O)Nc2ccc(C(=O)O)cc2)S/C1=N\c1ccccc1OC,CID653399,,,,0.0,0.0,,0.0,,,,0.0,,,,0.0,,0.0
COc1ccc(/N=C2\SC(C(=O)Nc3ccc(F)cc3)CC(=O)N2C)cc1,CID3139951,,,,,,,,,,,,,,,0.0,,
CCOc1cccc(NC(=O)C2CC(=O)N(C)/C(=N/c3ccccc3)S2)c1,CID3240095,0.0,,0.0,,0.0,0.0,,0.0,,,,,,,,,0.0
CCOc1cccc(NC(=O)C2CC(=O)N(C)/C(=N/c3cccc(F)c3)S2)c1,CID3237094,0.0,0.0,,,,,0.0,0.0,,,,,,,,,
CCN1C(=O)CC(C(=O)Nc2ccc(F)cc2)S/C1=N\c1cccc(OC)c1,CID3238791,0.0,,,,,,,0.0,,0.0,,,,,,,0.0
COc1cccc(NC(=O)C2CC(=O)N(C)/C(=N/c3cccc(F)c3)S2)c1,CID655191,0.0,,0.0,0.0,,,0.0,,,,,,,,,0.0,
COc1cccc(/N=C2\SC(C(=O)Nc3ccccc3F)CC(=O)N2C)c1,CID644392,0.0,,,,,0.0,0.0,,,,,0.0,,,,,0.0
O=C1CN(C(=O)c2ccc(Br)o2)C(c2ccc(F)cc2)c2cc(F)ccc2N1,CID3245675,0.0,,,,,,,,,,,,,,,0.0,0.0
O=C1CN(C(=O)c2ccc(Br)o2)C(c2ccccc2)c2cc(Br)ccc2N1,CID4128655,,,,,,,0.0,,,,,,,,,,
Cc1ccc2c(c1)C(c1ccccc1)N(C(=O)c1ccc(Br)o1)CC(=O)N2,CID3290432,0.0,,,,,,,,,,,,,,,0.0,
O=C1CN(C(=O)c2ccc(Br)o2)C(c2ccc(F)cc2)c2cc(Cl)ccc2N1,CID3236058,,,,,,,0.0,,0.0,,0.0,,,,,,
O=C1CN(C(=O)c2ccc(Br)o2)C(c2ccccc2)c2cc(F)ccc2N1,CID3438072,0.0,,,,,,0.0,,,,0.0,,,,,,
O=C1CN(C(=O)c2ccco2)C(c2ccccc2)c2cc(Cl)ccc2N1,CID3243871,0.0,0.0,,,,0.0,,,,,,,,,,0.0,0.0
O=C1CN(C(=O)c2ccco2)C(c2ccc(F)cc2)c2cc(Cl)ccc2N1,CID3242985,,,0.0,,,,,,,,,,,,,0.0,0.0
O=C1CN(C(=O)c2ccc(Br)o2)C(c2ccccc2)c2cc(Cl)ccc2N1,CID4693065,0.0,,,,,,,,,,,,,,,,
COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2cccc(OC)c2)cc1,CID663983,,0.0,,,0.0,,,0.0,0.0,,,,,,,,
Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2ccc(O)cc2)c1,CID663404,0.0,0.0,0.0,0.0,,,,,0.0,,,0.0,0.0,,,,0.0
Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2ccccc2O)c1,CID664457,0.0,,,,,0.0,,0.0,0.0,,,0.0,0.0,,,,
COc1cccc(-n2cc3c(c2-c2ccccc2)c(=O)n(C)c(=O)n3C)c1,CID665352,0.0,0.0,,,0.0,,0.0,,0.0,,,0.0,,,,,
COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2ccccc2)cc1,CID661066,0.0,,,,0.0,,,,0.0,,0.0,0.0,0.0,,,,
COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2cc(OC)ccc2OC)cc1,CID664289,,0.0,0.0,,0.0,,,,0.0,,,0.0,,,,,
Cn1c(=O)c2c(-c3ccccc3)n(-c3ccccc3O)cc2n(C)c1=O,CID2913082,0.0,,,,,,,,,,0.0,,,,,,
Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2ccccc2O)cc1,CID653759,0.0,,0.0,,,0.0,,,0.0,,0.0,,,,,,0.0
CCCC(c1nnnn1CC(=O)OCC)N(Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1,CID655835,,,0.0,,,,,,,0.0,,,,,,,
CCOC(=O)Cn1nnnc1C(CC)N(Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1,CID653415,0.0,,0.0,,,,,,,0.0,,0.0,,,,,
CCCC(c1nnnn1CC(=O)OCC)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1,CID652380,,,,,,,,,,,,0.0,,,,,0.0
CCC(C)(C)n1nnnc1CN(Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1,CID647611,,,0.0,0.0,,,,,,0.0,,0.0,,,,,
CCOC(=O)Cn1nnnc1C(CC)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1,CID648458,,,,,,0.0,,,,0.0,,,0.0,,,,
COCCn1nnnc1CN(Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C1CCCC1,CID648795,,,,,,,0.0,,,0.0,,0.0,,,,,
CCC(C)(C)n1nnnc1CN(Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C1CCCC1,CID645983,,,0.0,,,,,,,,,0.0,,,,,
CCOC(=O)Cn1nnnc1C(C(C)C)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1,CID645800,,,,,,,,,,0.0,,,,,,,
O=C(c1ccc(Cl)s1)N1CCN(c2ccccc2)CC1,CID1245506,,0.0,,,0.0,,0.0,,,0.0,,,,0.0,0.0,,0.0
CCc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)s1,CID1245963,,,,0.0,,,,,,,,,,,,,
CCCC(=O)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1,CID647093,0.0,0.0,,,0.0,,,,,,,,,,,0.0,0.0
CC(=O)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1,CID649555,,,,0.0,0.0,,,,,,0.0,,0.0,,,,
COc1ccccc1N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1,CID2536948,,,,,,,,,,,,,,0.0,0.0,,
O=C(c1cccs1)N1CCN(c2ccc(F)cc2)CC1,CID668930,,,,,,,,,0.0,,,,,,,,
O=C(c1ccc([N+](=O)[O-])s1)N1CCN(c2cccc(Cl)c2)CC1,CID2443218,,,,,,,,,,,,,,,0.0,,
CC(C)C(=O)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1,CID654119,0.0,,0.0,0.0,0.0,,,0.0,,,,,,,,,0.0
C=CCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccco1)C2,CID4714602,,,,0.0,,,,,,,,,0.0,,,,
Cc1c(C(=O)OCCOC(C)C)[nH]c2c1C(=O)CC(c1ccco1)C2,CID5307805,,,,0.0,,,,,,,,,,,0.0,0.0,
Cc1c(C(=O)OCC(C)C)[nH]c2c1C(=O)CC(c1ccco1)C2,CID5308593,,,,,,,,0.0,,,,,,,,,
C/C=C/COC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccco1)C2,CID5307612,,,0.0,0.0,,,,0.0,,,,,,,,0.0,
COCCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccco1)C2,CID5307417,,0.0,,,,,,0.0,,,,,,,,,
CCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccco1)C2,CID2997481,,,,,,,,,,,,,,,,,0.0
CCCCCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccco1)C2,CID5307230,,,,,,,,0.0,,,,,,,,,
CSCCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccco1)C2,CID3162305,,,,0.0,0.0,,0.0,,,,,,0.0,,,,
Cc1ccccc1OCCCC(=O)Nc1nccs1,CID655321,,,,,0.0,,0.0,0.0,,,,0.0,0.0,,0.0,,0.0
Cc1ccc(C)c(OCCCC(=O)Nc2nccs2)c1,CID1570488,,,,,,,,,,0.0,0.0,0.0,,,,,
CC(=O)c1sc(NC(=O)CCCOc2ccc(Cl)cc2)nc1C,CID1637692,,,,,,,,,,,,,,,0.0,,
Cc1ccc(OCCCC(=O)Nc2nccs2)cc1,CID1564857,,,,,,0.0,,,,,,0.0,,,0.0,,
CCc1ccc(OCCCC(=O)Nc2nccs2)cc1,CID1564940,,,,,,,,,,,,,,0.0,,,
Cc1cccc(OCCCC(=O)Nc2nccs2)c1,CID652982,,,,,0.0,,0.0,,,,,0.0,,,,,0.0
O=C(CCCOc1ccccc1)Nc1nccs1,CID1570036,,,0.0,,0.0,,,,,,,,,,,,0.0
COc1ccccc1OCCCC(=O)Nc1nccs1,CID1631626,,,,,,,,,,,,,,,0.0,,
Cc1nnc(NC(=O)Cc2cccs2)s1,CID651910,0.0,,,0.0,,0.0,,,,,,,,,0.0,,
CCCCCc1nnc(NC(=O)Cc2cccs2)s1,CID2207086,0.0,0.0,0.0,,0.0,,0.0,,,,,,0.0,,,,
CC(C)Cc1nnc(NC(=O)Cc2cccs2)s1,CID697577,,,,,,,,,,,,,,0.0,,,
CC(C)(C)Cc1nnc(NC(=O)Cc2cccs2)s1,CID847037,,,,,,,,,,,,,,0.0,0.0,,
O=C(Cc1cccs1)Nc1nncs1,CID694875,,0.0,,0.0,,,0.0,,,,,,0.0,,,,
CC(C)c1nnc(NC(=O)Cc2cccs2)s1,CID769201,0.0,0.0,,,0.0,,0.0,,0.0,0.0,0.0,,0.0,0.0,,,
COCCSc1nnc(NC(=O)Cc2cccs2)s1,CID2218643,,,0.0,,0.0,,,,0.0,,,,,,,,
CCc1nnc(NC(=O)Cc2cccs2)s1,CID831646,,,,,,,,,,,,,,0.0,,,
Cc1cc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc(C)c1Cl,CID1226677,,,0.0,0.0,0.0,,0.0,,0.0,,,,,,0.0,,
Cc1cc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)ccc1Cl,CID1226678,,,,,,,,,0.0,,,,,,,,
COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1,CID1094291,,,,,,,,,,,,,,,0.0,,
COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1,CID1015631,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1,CID1226682,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C)c(OCC(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1,CID1226671,,,,,,,,,,,,,,,0.0,,
CN1CCN(S(=O)(=O)c2ccc(NC(=O)COc3ccccc3)cc2)CC1,CID4777943,,,,,,,,,,,,,,,0.0,,
Cc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1,CID1226683,,,,,,,,,,,0.0,,,,0.0,,
CCSc1ccccc1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID1091334,,,,,0.0,,,,,,,,0.0,,,,
COc1ccccc1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID660018,,,,,,,,,,,,,,,0.0,,
Cc1cccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1,CID709823,0.0,,,0.0,,,,,0.0,,,0.0,0.0,,,,
COc1cccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1OC,CID1148145,,,,0.0,,,,0.0,0.0,,,,,,0.0,,
Cc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1[N+](=O)[O-],CID1345060,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1[N+](=O)[O-],CID1345088,,,,,,,,,,,,,,,0.0,,
COc1cccc(OC)c1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID647808,,,,0.0,,0.0,,,,,0.0,,,,,,0.0
COCCSc1ccccc1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID2218473,0.0,,0.0,,0.0,,,,,,,,,,,0.0,
O=C1C=C(Nc2ccc(O)cc2)CC(c2ccco2)C1,CID2877975,,,,,,,,,,0.0,,,,,,,
O=C1C=C(Nc2cccc(Cl)c2)CC(c2ccco2)C1,CID2886782,,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1ccc(NC2=CC(=O)CC(c3ccco3)C2)cc1,CID2878114,,,,,,,,,,,,,,,0.0,,
Cc1ccc(NC2=CC(=O)CC(c3ccco3)C2)c(N)c1,CID2926690,,,,0.0,,,,0.0,,0.0,,,0.0,,,,
O=C1C=C(Nc2cccc(O)c2)CC(c2ccco2)C1,CID3136912,,,,,,,,,,0.0,,,,,,,
O=C1C=C(Nc2ccc(Cl)cc2)CC(c2ccco2)C1,CID2901611,,,,,,,,,,0.0,,,,,,,
CCc1ccc(NC2=CC(=O)CC(c3ccco3)C2)cc1,CID2887084,,,,,,,,,,,0.0,,,,,,
Nc1ccccc1NC1=CC(=O)CC(c2ccco2)C1,CID2945340,,,,,,,,0.0,,,,,,0.0,,,
COc1cc(S(=O)(=O)NC2CCCC2)ccc1F,CID935461,,,,,,,,,,,,0.0,,,,,
COc1cc(S(=O)(=O)NC2CCCC2)ccc1Cl,CID934688,,0.0,,0.0,,,,,,0.0,,,,0.0,,,
CCOc1cc(S(=O)(=O)NC2CCCC2)ccc1Cl,CID1256631,,0.0,,0.0,,,,,,,,,,,,,
COc1ccc(C)cc1S(=O)(=O)NC1CCCC1,CID967889,,,,,0.0,,,,,,,,,,,,
CC(C)(C)C(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)NC2CCCC2)cc1,CID647797,,,,0.0,0.0,,,,,,,,0.0,,,,
Cc1cc(S(=O)(=O)NC2CCCC2)ccc1F,CID935294,,,,,0.0,,,0.0,,,,,,,,,
COc1ccc(S(=O)(=O)NC2CCCC2)cc1Br,CID765790,0.0,,,,,,,,0.0,,,,,,,0.0,
O=S(=O)(NC1CCCC1)c1ccccc1Cl,CID2551988,,,,0.0,,,,,0.0,0.0,,0.0,,0.0,,,0.0
CC(=O)c1ccc(N2/C(=N/C(=O)C(C)C)SC3CS(=O)(=O)CC32)cc1,CID665890,,0.0,,,0.0,,0.0,,,0.0,,,0.0,,,,
CC(=O)/N=C1\SC2CS(=O)(=O)CC2N1c1ccccc1Cl,CID665487,,,0.0,,,,,,0.0,,,,,0.0,,,
COc1ccc(N2/C(=N/C(C)=O)SC3CS(=O)(=O)CC32)cc1OC,CID665141,,,0.0,,0.0,,,,,,,,0.0,,,,
CC(=O)c1cccc(N2/C(=N/C(=O)C(C)C)SC3CS(=O)(=O)CC32)c1,CID666248,,,0.0,,0.0,,,,,0.0,,,,,,,
CCCC(=O)/N=C1\SC2CS(=O)(=O)CC2N1c1ccc(CC)cc1,CID664826,,0.0,0.0,,0.0,0.0,0.0,,,,,,0.0,,,,
CCC(=O)/N=C1\SC2CS(=O)(=O)CC2N1c1cccc(OC)c1,CID666609,,,,0.0,0.0,,0.0,,,0.0,,,,,,,
CCCC(=O)/N=C1\SC2CS(=O)(=O)CC2N1c1ccc(C(C)=O)cc1,CID665528,,,,,0.0,,0.0,,,0.0,,,,,,,
Cc1cc(C)c(N2/C(=N/C(=O)CCCC(=O)O)SC3CS(=O)(=O)CC32)c(C)c1,CID666092,,,,0.0,0.0,0.0,,,,,,,,,,,0.0
CC(C)(C)NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12,CID2669477,,,,,,,,,,,,,,,0.0,,
O=c1c2ccccc2cnn1Cc1cccc(Br)c1,CID706615,,,,,,,,,,,,,,,0.0,,
CCN(CC)CCNC(=O)Cc1nn(Cc2ccccc2)c(=O)c2ccccc12,CID3143437,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(C(C)=O)cc1Cn1nc(C(=O)O)c2ccccc2c1=O,CID2124488,,,,,,0.0,,0.0,,,,,0.0,,0.0,,
COC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12,CID2389091,,,,,,,,,,,,,,0.0,,,
O=C(O)Cc1nn(Cc2ccc(Cl)cc2)c(=O)c2ccccc12,CID1486105,,,,,,,,,,,,,,,0.0,,
CCOC(=O)Cc1nn(Cc2ccccc2)c(=O)c2ccccc12,CID872300,,,,,,,,,,,,,,,0.0,,
COc1ccc2cnn(Cc3ccccc3)c(=O)c2c1OC,CID659546,0.0,,0.0,,0.0,0.0,,0.0,,,,,,,,,
CCOC(=O)c1ccc(NC(=S)NCc2cccnc2)cc1,CID700002,,,,,,,,,,,,,,0.0,,,
Fc1ccc(NC(=S)NCc2cccnc2)cc1,CID760235,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)c(NC(=S)N(CCN(C)C)C(C)c2cccnc2)c(C)c1,CID3682663,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)cc(NC(=S)NCc2cccnc2)c1,CID2917530,,,,,,,,,,,,,,,0.0,,
Cc1ccc(NC(=S)NCc2cccnc2)cc1,CID700082,,,,,,0.0,,,,,,,,,,,
Cc1ccc(NC(=S)N(CCN(C)C)C(C)c2cccnc2)cc1,CID3258476,,,,,,,,,,,,,,0.0,,,
COc1ccccc1NC(=S)NCc1cccnc1,CID699991,,,,,,,,,,,,,,,0.0,,
COc1ccc(Cl)cc1NC(=S)NCc1cccnc1,CID971862,,,,,,,,,,,,,,0.0,,,
CC(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccccc1,CID3244786,,,,,0.0,,0.0,,,,,,,,,,
COc1ccc(S(=O)(=O)N(C(C)=O)c2ccc3oc(=O)sc3c2)cc1,CID655888,,,,0.0,0.0,0.0,,,0.0,,,,,0.0,,,
CC(C)C(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccccc1,CID3655904,,,,,,,,,,0.0,,,,,,,
Cc1ccc(S(=O)(=O)Nc2ccc3oc(=O)sc3c2)c(C)c1,CID697343,,,0.0,,,,0.0,,,,,,,0.0,0.0,,
CCCC(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccccc1,CID3236614,,,0.0,0.0,0.0,,,,0.0,0.0,,,,,,,
O=C(O)c1cc(S(=O)(=O)Nc2ccc3oc(=O)sc3c2)ccc1O,CID3238401,,,,,1.0,,,,,,,,,,,,
O=C(O)c1cccc(S(=O)(=O)Nc2ccc3oc(=O)sc3c2)c1,CID3238639,,,0.0,,0.0,,,,,,,,,,,,
COc1ccc(S(=O)(=O)N(C(=O)C(C)C)c2ccc3oc(=O)sc3c2)cc1,CID3655913,,,,,,,,,,,,,,,0.0,,
Cc1cc(N2CCC(C)CC2)n2nc(C)c(-c3ccccc3)c2n1,CID665911,,0.0,,,,0.0,,,,,,,,,,,
Cc1cc(N2CCCCC2)n2nc(C)c(-c3ccccc3)c2n1,CID665604,,0.0,0.0,,,0.0,0.0,,,,,,,,0.0,,
Cc1cc(N2CCCCC2)n2ncc(-c3ccccc3)c2n1,CID665847,,0.0,0.0,0.0,,,0.0,0.0,,,,,,,,,
Cc1cc(N2CCC(C)CC2)n2ncc(-c3ccccc3)c2n1,CID665332,,,,,,0.0,,0.0,,0.0,,,,,,,
Cc1cc(N2CCCCC2)n2ncc(-c3ccc(Cl)cc3)c2n1,CID666939,0.0,,0.0,,,0.0,,,,,,,,,,,
COc1ccc(-c2c(C)nn3c(N4CCC(C(=O)NCCN(C)C)CC4)cc(C)nc23)cc1OC,CID3236596,,,,,,,,,,0.0,0.0,,,,,,0.0
CCCN(CCC)C(=O)C1CCN(c2cc(C)nc3c(-c4ccc(OC)c(OC)c4)c(C)nn23)CC1,CID5309516,0.0,,0.0,,,,,,,,0.0,,,,,,
CCOCCCNC(=O)C1CCN(c2cc(C)nc3c(-c4ccc(OC)c(OC)c4)c(C)nn23)CC1,CID3235899,0.0,,,,,,,,,,,,,,,,
CCCN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)O,CID3239924,,,,,,,,,,0.0,,,,,,0.0,0.0
CC(=O)N1CCc2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)ccc21,CID3244517,,,,,0.0,,,,,0.0,,,,,,,0.0
CCN(c1cccc(C)c1)S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O,CID3236885,,,,,,,0.0,,0.0,0.0,,,,,,,
CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CCC(=O)O)cc1,CID3244118,,,0.0,,0.0,,,0.0,,,,,,,,0.0,
CCC(=O)N1CCc2cc(S(=O)(=O)N(CC)c3cccc(C)c3)ccc21,CID3235643,,,,,,,,0.0,0.0,0.0,,,0.0,,,,0.0
CCCCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)O,CID3241333,,,,,,,,0.0,,0.0,0.0,,0.0,,,,
CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)O,CID3239216,,,,,,,,0.0,,,,,,,,,
CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O,CID3242578,,,,,0.0,,,,,,,,,,,,
Cc1sc(NC(=O)c2cccs2)nc1-c1ccccc1,CID704717,,,0.0,,0.0,0.0,,,,,,,0.0,,0.0,,
CC(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])s2)nc1-c1ccccc1,CID1631958,,,,,,0.0,,,,,,,,,,,
O=C(Nc1nc(-c2ccccc2)cs1)c1cccs1,CID781537,,,,,0.0,,0.0,,,0.0,,,0.0,0.0,0.0,,
CN(C)CCCN(C(=O)c1cccs1)c1nc(-c2ccccc2)cs1,CID653491,,,,0.0,0.0,,0.0,,0.0,0.0,0.0,,0.0,0.0,,,
Cc1ccc(-c2csc(NC(=O)c3cccs3)n2)cc1,CID730090,,,,,,,,,,,,,,0.0,,,
CCN(C(=O)c1cccs1)c1nc(-c2ccc(OC)cc2)cs1,CID862702,,,,,,,,,,,,,,0.0,,,
CCN(CC)CCCN(C(=O)c1cccs1)c1nc(-c2ccc(OC)cc2)cs1,CID653546,,,0.0,,0.0,,,,,0.0,0.0,,,,,,
COc1ccc(-c2csc(N(C)C(=O)c3cccs3)n2)cc1,CID862691,,,,,,,,,,,,,,,0.0,,
C=CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1cnccn1,CID663329,0.0,0.0,,0.0,0.0,,,,,0.0,,,,,0.0,0.0,
C=CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1cnccn1,CID662607,,0.0,0.0,0.0,0.0,0.0,0.0,,,,0.0,,0.0,,,,
C=CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1cnccn1,CID662897,0.0,0.0,0.0,,0.0,,,,,,0.0,,,,0.0,0.0,
CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1cnccn1,CID663112,0.0,,0.0,0.0,0.0,,,,,0.0,0.0,,0.0,,,,
CCOc1ccccc1NC(=O)CSc1nnc(-c2cnccn2)n1C,CID662878,,0.0,0.0,,,,,,,,,,0.0,,,,
CCOc1ccccc1NC(=O)CSc1nnc(-c2cnccn2)n1CC,CID662347,0.0,0.0,,,0.0,,,,,,0.0,,,,,,
C=CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1cnccn1,CID662352,0.0,0.0,0.0,,0.0,,,,,,0.0,,0.0,,,0.0,
CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1cnccn1,CID662834,,0.0,0.0,,0.0,0.0,,0.0,,0.0,0.0,,,0.0,,0.0,
C=CCc1c(C)nc(SC)nc1Nc1ccc(C(=O)O)cc1,CID648144,0.0,,,0.0,0.0,,,,0.0,,,,0.0,,,,
Cc1cc(Nc2ccccc2)nc(N)n1,CID608203,,,,,,,,,,,,,,0.0,,,
Cc1nc(N)nc(Nc2ccc(Cl)cc2)c1Br,CID1487824,,,,,,,,,,,,0.0,,,,,
C=CCc1c(C)nc(SC)nc1Nc1ccc(C)cc1,CID684377,,,,,,,,,,0.0,0.0,0.0,,,,,
CCOC(=O)c1cnc(SC)nc1Nc1cccc(F)c1,CID762224,,0.0,,,,,0.0,,,,0.0,,,,,0.0,
C=CCc1c(C)nc(SC)nc1Nc1ccccc1,CID623158,,,,,,,,,,,0.0,,,,0.0,,
C=CCc1c(C)nc(SC)nc1Nc1ccc(C(C)=O)cc1,CID789775,,,,,0.0,,,,,,,,,,,,0.0
COc1ccc(Nc2cc(Cl)nc(N)n2)cc1,CID231732,,,,,,,,,,,,,,,0.0,,
COc1cc(C(=O)Nc2cccc(-c3nc4cc(C)ccc4o3)c2)cc(OC)c1OC,CID2866210,,,,,,,,,,0.0,,,,,,,
COc1cc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2C)cc(OC)c1OC,CID1104093,,0.0,,,,,,,,,0.0,0.0,0.0,,,,
COc1cc(C(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)cc(OC)c1OC,CID1104092,,,0.0,,,,,,,,,0.0,0.0,,,,
COc1cc(C(=O)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2)cc(OC)c1OC,CID1316045,0.0,,0.0,,,0.0,,,,,,0.0,,,,,
Cc1cc(C)c2oc(-c3cccc(NC(=O)c4ccccc4C)c3)nc2c1,CID1015790,,,,,,0.0,,,,,,,,,,,
COc1cc(C(=O)Nc2cccc(-c3nc4cc(C)ccc4o3)c2C)cc(OC)c1OC,CID2866311,0.0,,,,,,,,0.0,,,0.0,,,,,
CCOc1ccc(C(=O)Nc2cccc(-c3nc4cc(C)ccc4o3)c2C)cc1,CID1050047,,,,,,0.0,,,,,,,,,,,
Cc1cc(C)c2oc(-c3ccc(Cl)c(NC(=O)c4ccc(C#N)cc4F)c3)nc2c1,CID2235692,0.0,,0.0,,,,0.0,,,,,,,,,,
C=CCc1cc(C)ccc1OCC(O)CN1CCN(c2ccccc2)CC1,CID3237971,,,,0.0,,0.0,,,,0.0,,,,,,,0.0
C=CCc1ccccc1OCC(O)CN1CCN(c2ccc(C)cc2)CC1,CID3237370,,,0.0,,,0.0,,0.0,,,,,,,,,0.0
CC(=O)Nc1ccc(OCC(O)CN2CCN(c3cc(Cl)ccc3C)CC2)cc1,CID645926,,,,0.0,,,,,,0.0,,,,,,0.0,0.0
CC(=O)Nc1ccc(OCC(O)CN2CCN(c3ccccc3Cl)CC2)cc1,CID3158621,,,,,,,,,,0.0,,,,,,,
CC(=O)Nc1ccc(OCC(O)CN2CCN(c3cccc(Cl)c3)CC2)cc1,CID655944,0.0,,,,,,,,,0.0,,,,,,,
CC(=O)Nc1ccc(OCC(O)CN2CCN(c3ccc(C)c(Cl)c3)CC2)cc1,CID2962059,,,,,,0.0,,,,,,,0.0,,,,0.0
Cc1ccc(OCC(O)CN2CCN(c3ccccc3)CC2)cc1,CID260286,,,,,,,,,,,,0.0,0.0,,0.0,,
CC(=O)Nc1ccc(OCC(O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1,CID2962065,,,,,,,,,,0.0,,,,,,,
COc1ccc(N2C(=O)NC3CC2(C)Oc2ccc(Cl)cc23)cc1OC,CID3237974,0.0,0.0,,,,,,,,,,,0.0,,,0.0,
COc1ccc(N2C(=O)NC3CC2(C)Oc2ccccc23)cc1OC,CID3236548,0.0,,,0.0,,,,0.0,,,,,0.0,,,,
CCOc1cccc2c1OC1(C)CC2NC(=O)N1c1cccc(F)c1,CID3242101,,,,0.0,,,,,,,,,,,,,
CCOc1cccc2c1OC1(C)CC2NC(=O)N1c1cccc(Cl)c1,CID3244353,,,,,,,,,,,0.0,,,,,,0.0
CCOc1cccc2c1OC1(C)CC2NC(=O)N1c1ccc(OC)cc1,CID3239050,,,0.0,0.0,,,,,,,,,,,,,0.0
COc1ccc(N2C(=O)NC3CC2(C)Oc2ccc(Br)cc23)cc1OC,CID3242924,0.0,,,,,,,,0.0,,,,,,,0.0,0.0
COc1cc(N2C(=O)NC3CC2(C)Oc2ccc(Br)cc23)cc(OC)c1OC,CID3238475,0.0,,,,,,,,0.0,,0.0,,,,,0.0,
COc1cc(N2C(=O)NC3CC2(C)Oc2ccccc23)cc(OC)c1OC,CID3240496,,,,,,,,,,,,,0.0,,,,
CC(=O)Nc1nc(CCC(C)C)cc2c1c(=O)oc1ccccc12,CID977348,,,0.0,,,,,0.0,,,0.0,,0.0,,,,
Cc1cnc(N)c2c(=O)oc3ccccc3c12,CID780919,,,,0.0,,,0.0,,,,,,,,,,
CCCCc1cc2c(c(NC(=O)CC)n1)c(=O)oc1ccccc12,CID2059938,,,0.0,,,,,0.0,,,0.0,,0.0,,,,
CC(=O)Nc1nc(CC(C)C)cc2c1c(=O)oc1ccccc12,CID899250,,,,,,,0.0,0.0,,0.0,,,,,,,
CCCc1cc2c(c(NC(C)=O)n1)c(=O)oc1ccccc12,CID614608,,,,,,,0.0,0.0,,,,0.0,0.0,,,,
Cc1cc2c(c(N)n1)c(=O)oc1ccccc12,CID659209,,,,0.0,,,,0.0,,,,,,,,,
CCCCc1cc2c(c(NC(C)=O)n1)c(=O)oc1ccccc12,CID4606605,,,,,,,0.0,,,,,,,,,,
COC(=O)c1c(C)nc(C)c2c(=O)oc3ccccc3c12,CID721596,,,0.0,,,,,,,,,,,,,0.0,
Cc1ccc(C2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCN(C)C)cc1,CID661050,0.0,,,,,,0.0,,0.0,0.0,,,,,,,
CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)C1c1ccc(N(C)C)cc1,CID5176213,0.0,,,,,,,,,,,,,,,,
COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCN(C)C)C3c3ccc(F)cc3)oc12,CID664060,,0.0,,,,,0.0,,0.0,,,,0.0,,,,
COc1ccccc1C1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1CCN(C)C,CID661091,0.0,,0.0,0.0,,,,0.0,,,,0.0,,,,,0.0
COC(=O)c1ccc(C2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCN(C)C)cc1,CID661006,,,0.0,,,,,,,0.0,,0.0,,,,,
COc1cccc(C2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCN(C)C)c1OC,CID661169,,0.0,,0.0,,,,,,,,,,,,,
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)C1c1ccccc1,CID661074,0.0,0.0,0.0,,,,,,,0.0,,,,,0.0,,0.0
COc1ccc(C2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CCCN(C)C)cc1OC,CID664703,,,,,,,,,,,,,,,,,0.0
CCOC(=O)c1ccc(NC(=O)CC2C(=O)N(c3ccccc3)C(=O)N2CCCOC)cc1,CID2962757,,,,,,,,,0.0,,,,,0.0,,,
COC(=O)c1ccc(NC(=O)CC2C(=O)N(c3ccc(C)cc3)C(=O)N2CC(C)C)cc1,CID2984196,,,,,,,,,0.0,0.0,,0.0,,,,,
CCOC(=O)c1ccc(NC(=O)CC2C(=O)N(c3cccc(OC)c3)C(=O)N2CCOC)cc1,CID2983461,,,,,,,,,0.0,0.0,0.0,,,,,,0.0
COc1ccc(NC(=O)CC2C(=O)N(c3ccc(OC)cc3)C(=O)N2C(C)C)cc1,CID2978410,,,,,,0.0,,,0.0,0.0,,0.0,,,,,
COCCN1C(=O)N(c2cccc(C)c2)C(=O)C1CC(=O)Nc1ccc(F)cc1,CID2984678,,,,,,,0.0,0.0,,,,,,,,,0.0
CCOC(=O)c1ccc(NC(=O)CC2C(=O)N(c3ccc(F)cc3)C(=O)N2CCC(C)C)cc1,CID2982874,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1ccc(NC(=O)CC2C(=O)N(c3ccc(F)cc3)C(=O)N2CCCOC)cc1,CID3242328,,,,,,,,,,,,,,,0.0,,
COc1ccc(NC(=O)CC2C(=O)N(c3cccc(OC)c3)C(=O)N2CCC(C)C)cc1,CID2980405,,,,,,,,,0.0,0.0,,0.0,,,,,
COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1OC,CID1811956,,,,,,,,,,,,0.0,,,,,
CCC(Nc1ccc(OC)cc1)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1,CID4453072,,,,,,,,,,,,,,,0.0,,
Cc1cccc(NCC(=O)N/N=C/c2cccc(Br)c2)c1,CID689483,,,,,,,,,,,,,,,0.0,,
COc1ccc(N(C(C)C(=O)N/N=C/c2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1,CID2857271,,,,,,,,,,,,,,,0.0,,
CSc1ccc(/C=N/NC(=O)CNc2ccc(C)cc2)cc1,CID871349,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC(C)C(=O)N/N=C/c2cc(Br)ccc2OC)cc1,CID16193430,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(/C=N/NC(=O)C(C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1,CID2857167,,,,,,0.0,,,,,,,,,,,
CS(=O)(=O)N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1,CID1813453,,,,,,,,,,,,0.0,,,,,
COc1cc2ncnc(NCc3ccccc3)c2cc1OC,CID1474877,,,,,,,,,,,,0.0,,0.0,,,
CCCCN(C)C(=O)CSc1nc(NCc2ccc(OC)cc2)c2ccccc2n1,CID4548500,,,,,,,,,,,,0.0,,0.0,,,
CN(Cc1ccccc1)c1ncnc2ccc(Br)cc12,CID660009,0.0,,,,,,,,0.0,,0.0,,,,,,0.0
COc1cccc(CNc2ncnc3cc(OC)c(OC)cc23)c1,CID1474878,,,,,,,,,,,,0.0,,,,,
COc1ccc(CNc2ncnc3cc(Cl)ccc23)cc1,CID1490527,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1nc(NCc2cccc(OC)c2)c2ccccc2n1,CID3755333,,,,,,,,,,,,,,,0.0,,
Brc1ccc2ncnc(NCc3ccccc3)c2c1,CID720645,,,,,,,,,0.0,,,0.0,,,,,
COc1cc2ncnc(NCc3ccccc3C)c2cc1OC,CID1474882,,,,,,,,,,,,0.0,,,,,
CCCc1cc(C(=O)NCc2ccccc2)no1,CID5307399,,,,,,,,0.0,,,,,0.0,,,0.0,
COc1ccc(CNC(=O)c2noc(C(C)C)c2[N+](=O)[O-])cc1,CID12004943,,,,,,,,,,,,,,,0.0,,
Cc1cc(C(=O)N(C)Cc2ccc(Br)cc2)no1,CID2494694,0.0,,,,,,0.0,,0.0,,0.0,,,,,0.0,
Cc1cc(C(=O)NCc2ccccc2)no1,CID3237300,,,,,,,0.0,,,0.0,,,,,,0.0,
CC(C)c1onc(C(=O)NCc2ccc(F)cc2)c1[N+](=O)[O-],CID12004996,,,,,,,,,,,,,,,0.0,,
CCCc1cc(C(=O)NCc2ccc(OC)cc2)no1,CID5309670,,,,,,0.0,,,,,,,0.0,,,,
CC(C)c1onc(C(=O)NCc2ccc(Cl)cc2)c1[N+](=O)[O-],CID12004942,,,,,,,,,,,,,,,0.0,,
Cc1cc(C(=O)NCc2ccccc2Br)no1,CID1244334,0.0,,,,,,,,0.0,,,0.0,,0.0,,0.0,0.0
COc1c(C)cc(Br)cc1C(=O)Nc1cccc(-c2nc3ncccc3o2)c1,CID1511511,0.0,,,,,,0.0,,,,,,,,,0.0,0.0
COc1cccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2C)c1,CID1142615,0.0,0.0,0.0,,,0.0,0.0,,0.0,,,0.0,0.0,,,,
COc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2C)cc1OC,CID654907,0.0,,0.0,,0.0,,0.0,,0.0,0.0,0.0,0.0,0.0,,,,
COc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2C)cc1,CID1276008,,,,,,,,,0.0,,0.0,0.0,,,,,
O=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1ccccc1,CID696885,,,,,,,,,,,,,,,0.0,,
COc1cc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2C)cc(OC)c1OC,CID667159,,,,,0.0,,,,0.0,,,,0.0,,,,
CCCCOc1cccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2)c1,CID1913207,,,,,,0.0,,,,,,,,,,,
CCOc1cccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2C)c1,CID1216135,,0.0,,,0.0,,0.0,,0.0,0.0,0.0,0.0,,,,,
CCOC(=O)C(CC)Sc1nnc2cc(C)c3ccccc3n12,CID3143155,,,,,,,,,,,,0.0,,,,,
COc1ccc2c(C)cc3nncn3c2c1,CID1276764,,,,,,,,,,,,,,0.0,0.0,,
Cc1cc2nnc(SC(C)C#N)n2c2ccccc12,CID2998022,,,0.0,0.0,,,,,,,,,,,,,
N#CCSc1nnc2ccc3ccccc3n12,CID1650639,,0.0,,,,,,,,,,,,,,,
COc1cc2cc(C)c3nnc(SCC(N)=O)n3c2cc1OC,CID650096,,,,0.0,,,,0.0,,,,,,,,,
CCOC(=O)CSc1nnc2cc(C)c3ccccc3n12,CID864705,,,,,,,,,,,0.0,,,,0.0,,
Cc1cc2nnc(SCC(=O)OC(C)C)n2c2ccccc12,CID864707,,,,,,,,,,,0.0,,,,0.0,,
Cc1nnc2ccc3ccccc3n12,CID253504,,,,0.0,,,,,,,,,,,,,
Brc1ccc(CN2CCSCC2)cc1,CID785841,,,,,,,,,0.0,,,0.0,,,,,
CCOc1cc(CN2CCSCC2)ccc1O,CID750738,,,,0.0,0.0,,,0.0,,0.0,,,,,,,
Fc1ccc(CN2CCSCC2)cc1Br,CID792595,0.0,,,,,,,,0.0,,,,,,,,
COc1ccccc1CN1CCSCC1,CID764944,,,,,,,,,,0.0,,,,,,,
O=[N+]([O-])c1ccc(Cl)c(CN2CCSCC2)c1,CID765078,,,,,,,,,,,,,,,0.0,,
COc1cccc(CN2CCSCC2)c1,CID763908,,,,,,,,,,,0.0,,,,,,
C=CCOc1ccccc1CN1CCSCC1,CID2056854,,,,,0.0,0.0,0.0,,,,,,,,,,
COc1cc(CN2CCSCC2)cc(OC)c1OC,CID765967,,,,,0.0,,0.0,,,,,,0.0,0.0,,,
Cn1c(C(=O)O)c(CC(=O)Nc2ccccc2F)c2ccccc21,CID3240428,,,,,,,0.0,,,0.0,,,,,,,0.0
CCc1cccc(NC(=O)Cc2cn(C)c3ccccc23)c1,CID4523421,,,,,,0.0,,,,,,,,,,,
COc1ccc(N(C)C(=O)Cc2c(C(=O)O)[nH]c3ccccc23)cc1,CID4688429,,,,,,,,,,,,,,0.0,,,
CCN(C(=O)Cc1c(C(=O)O)[nH]c2ccccc12)c1cc(OC)ccc1OC,CID3244340,,,,,,,,0.0,,,,,,,,,
Cn1c(C(=O)O)c(CC(=O)Nc2ccc(F)cc2F)c2ccccc21,CID3244407,,,,,,,,,,0.0,,,,,,,0.0
Cc1ccc2c(c1)c(CC(=O)Nc1ccc(F)cc1)c(C(=O)O)n2C,CID9551065,,,,,,0.0,,,,,,,,0.0,,,
Cn1cc(CC(=O)Nc2cccc(C#N)c2)c2ccccc21,CID3237338,,,,,0.0,,,,,,,0.0,,,,,
COc1cccc(NC(=O)Cc2cn(C)c3ccccc23)c1,CID3245350,,,,,0.0,,,0.0,,,,0.0,0.0,,,0.0,
COc1ccc(OC)c(NC(=O)NC(Cc2ccccc2)C(=O)O)c1,CID663719,0.0,,,0.0,,,,,,,,0.0,,,,,
Cc1ccc(NC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1,CID2238278,,,,,0.0,,,0.0,,,,,,0.0,0.0,,
CC(=O)c1ccc(NC(=O)NC(Cc2ccccc2)C(=O)O)cc1,CID664054,,,,0.0,,,0.0,,0.0,,,,,,,,
COc1cccc(NC(=O)NC(Cc2ccccc2)C(=O)O)c1,CID664188,0.0,,0.0,,,,0.0,,0.0,,,,,,,,
NS(=O)(=O)c1ccc(CCNC(=O)Nc2ccc(Cl)cc2)cc1,CID1130083,,,,,0.0,,,,,,0.0,,,,,,
COC(=O)C(Cc1ccccc1)NC(=O)Nc1ccc(S(N)(=O)=O)cc1,CID664541,,,0.0,,,,,0.0,,,,,0.0,,,,
COC(=O)C(Cc1ccccc1)NC(=O)Nc1ccc(C)cc1,CID940803,,,,,,,,,0.0,,,0.0,,,,,
NS(=O)(=O)c1ccc(NC(=O)NC(Cc2ccccc2)C(=O)O)cc1,CID664225,,0.0,0.0,,,,,,,,,,,0.0,,,
COC(=O)c1ccccc1NC(=O)CN1CCC(n2nnc3cc(F)ccc32)CC1,CID648333,,,0.0,0.0,,,,,,,,,,0.0,,,
COc1ccc(Cl)cc1NC(=O)CN1CCC(n2nnc3cc(F)ccc32)CC1,CID650938,0.0,,0.0,,,,0.0,,,,,,,,,,
COC(=O)c1ccccc1NC(=O)CN1CCC(n2nnc3cc(C)ccc32)CC1,CID650518,,0.0,,,,0.0,,,,,,,,,,,0.0
CCOC(=O)c1ccccc1NC(=O)CN1CCC(n2nnc3cc(F)ccc32)CC1,CID645815,,,0.0,,,,,,,,,,,,,,
CCOC(=O)CN(C(=O)CN1CCC(n2nnc3cc(C)ccc32)CC1)c1ccccc1,CID3229040,,,,,,,,,,,,0.0,,,,,
COc1ccc(Cl)cc1NC(=O)CN1CCC(n2nnc3cc(C)ccc32)CC1,CID653943,0.0,0.0,,0.0,0.0,,0.0,,,,,,,,0.0,,0.0
COc1ccc(Cl)cc1NC(=O)CN1CCC(n2nnc3ccccc32)CC1,CID650080,0.0,0.0,,0.0,,,,,,,,,0.0,,,,
COc1ccccc1NC(=O)CN1CCC(n2nnc3cc(F)ccc32)CC1,CID652680,,0.0,,,,,,,,,0.0,0.0,0.0,,0.0,,
CC(C)(C)NC(=O)CN(C(=O)CS(=O)CC(=O)Nc1ccc(F)cc1)c1ccc(F)c(Cl)c1,CID647489,,,,,,,,,,,,,0.0,,,,
CC(C)(C)NC(=O)CN(C(=O)CS(=O)CC(=O)Nc1ccc(F)cc1)c1ccc(Cl)cc1,CID650382,0.0,,,,0.0,,,,,0.0,,,,,,,
COc1ccc(NC(=O)CS(=O)CC(=O)Nc2ccc(OC)c(OC)c2)cc1,CID654543,,,0.0,,,,,0.0,,0.0,,,,,,,
CCc1ccc(NC(=O)CS(=O)CC(=O)Nc2ccc(F)cc2F)cc1,CID652658,0.0,,,,0.0,,,0.0,,0.0,,,,,,,0.0
Cc1cccc(C)c1NC(=O)CS(=O)CC(=O)Nc1ccc(F)cc1F,CID1460386,,,,,,,,,,0.0,,0.0,,0.0,,,
COc1ccc(NC(=O)CS(=O)CC(=O)Nc2cc(Cl)ccc2OC)cc1,CID650645,0.0,,,0.0,,,,,,,,,0.0,,,,
Cc1ccc(NC(=O)CS(=O)CC(=O)Nc2cccc(C)c2C)cc1F,CID654564,,,,,,,,0.0,,0.0,,,,,,,
CC(C)(C)NC(=O)CN(C(=O)CS(=O)CC(=O)Nc1ccc(F)cc1)c1ccccc1,CID649456,,,0.0,,,,,,,,,,,,,,
COc1ccc(NC(=O)Nc2ccc3c(c2)N(C)C(=O)CS3)cc1OC,CID5307723,,0.0,0.0,,,,,,,,,,,,,0.0,
CC(=O)c1ccc(NC(=O)Nc2ccc3c(c2)N(C)C(=O)CS3)cc1,CID9550369,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(NC(=O)Nc2ccc3c(c2)N(C)C(=O)CS3)cc1,CID5309608,,,,,,,,,,,,,,,,,0.0
CC(=O)c1cccc(NC(=O)Nc2ccc3c(c2)N(C)C(=O)CS3)c1,CID3243309,,0.0,,,0.0,,,0.0,0.0,,,,,,,,0.0
Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)N(C)C(=O)CS3)c1,CID9550441,,,,,,,,,,0.0,,,,,,,
COc1cccc(NC(=O)Nc2ccc3c(c2)N(C)C(=O)CS3)c1,CID9550177,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(OCC)c(NC(=O)Nc2ccc3c(c2)N(C)C(=O)CS3)c1,CID9551333,,,,,,,,,,,0.0,,,,,,
CC1C(C#N)=C(N)OC2=C1C(=O)CCC2,CID2999078,,,,,,,0.0,0.0,,,,,,,,,
CCC(C)C1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2,CID2881730,,,,,,,0.0,,,,,0.0,,,,,
CCCCCCC1C(C#N)=C(N)OC2=C1C(=O)CCC2,CID4671810,,,,,,,,,,,,,0.0,,,,
CCC1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2,CID397588,,,,0.0,,,,,,,,,,,,,
CCCCCCC1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2,CID3120754,,,0.0,0.0,,,0.0,,,,,,,,,,
CC1(C)C(C#N)=C(N)OC2=C1C(=O)CCC2,CID742385,,,0.0,,,,,,0.0,,,,,,,,
CC1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2,CID2841038,,,,,,,0.0,0.0,,,,,,,,,0.0
Cc1c(C(=O)NC(C)CCc2ccccc2)cccc1[N+](=O)[O-],CID2914122,,,,,,0.0,,,,,,,,,,,
O=C(NCCCc1ccccc1)c1ccccc1O,CID2287872,,,,,,0.0,,,,,0.0,0.0,0.0,,,0.0,0.0
O=C(NCCCc1ccccc1)c1cccc([N+](=O)[O-])c1,CID2183851,,,,,,,,,,,,,,0.0,,,
O=C(NCCCc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl,CID2895710,,,,,,,,,,,,,,0.0,,,
O=C(NCCCc1ccccc1)c1ccccc1,CID2268454,,,,,,0.0,,,0.0,,,0.0,,,,,
CC(CCc1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1,CID2902509,,,,,,,,,,,,,,,0.0,,
Cc1c(C(=O)NCCCc2ccccc2)cccc1[N+](=O)[O-],CID2165229,,,,,,,,,,,,,,0.0,,,
CSc1nc(NCc2ccco2)c2ccccc2n1,CID3720072,,,,,,0.0,,,,,,,,,,,
COc1cc2ncnc(NCc3ccc(C)o3)c2cc1OC,CID1490274,,,,,,,,,,,,,,,0.0,,
CCOC(=O)CSc1nc(NCc2ccco2)c2ccccc2n1,CID3243088,,,,,0.0,0.0,,0.0,0.0,,0.0,,0.0,,,0.0,
Brc1ccc2ncnc(NCc3ccco3)c2c1,CID710705,,,,,,,,,,,,,,,,,0.0
COc1cc2ncnc(NCc3ccco3)c2cc1OC,CID1474886,,,,,,,,,,,,,,,0.0,,
Cc1ccc(CNc2ncnc3cc(Cl)ccc23)o1,CID1490555,,,,,,,,,,0.0,,,,,,,
Clc1ccc2c(NCc3ccco3)ncnc2c1,CID1490550,,,,,,,,,,0.0,,0.0,,,0.0,,
CCC(C)c1ccc(NC(=O)COC(=O)C2=COCCO2)cc1,CID5180784,,,,,,0.0,,,,,,,,,,,
O=C(COC(=O)C1=COCCO1)Nc1ccccc1,CID2488438,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC(=O)COC(=O)C2=COCCO2)cc1,CID2344889,,,,,0.0,,,0.0,,,,,,0.0,,0.0,
N#Cc1ccc(NC(=O)COC(=O)C2=COCCO2)cc1,CID2353609,,,,,,,,0.0,,,,,0.0,,,,0.0
CC(C)c1ccc(NC(=O)COC(=O)C2=COCCO2)cc1,CID2338196,,,,,,,0.0,,,0.0,,,,,,0.0,
CC(C)(C)c1ccc(NC(=O)COC(=O)C2=COCCO2)cc1,CID2337962,,,,0.0,,0.0,0.0,,,0.0,0.0,,0.0,,0.0,0.0,
CCOC(=O)c1ccccc1NC(=O)COC(=O)C1=COCCO1,CID2998735,,,,,0.0,,,,,,,,,,,,0.0
CS(=O)(=O)N(CC(=O)N1CCCCCC1)c1ccccc1,CID816034,,,0.0,,,,,,0.0,,,0.0,,,,,
COc1ccccc1N(CC(=O)N1CCCCCC1)S(C)(=O)=O,CID808127,,,,,,,,,0.0,,,,,,,0.0,
CS(=O)(=O)N(CC(=O)N1CCCCCC1)c1ccc(Br)cc1,CID646614,0.0,,,,,,,,0.0,,0.0,,,,,,0.0
CCOc1ccccc1N(CC(=O)N1CCCCCC1)S(C)(=O)=O,CID1137895,,,0.0,0.0,,,,0.0,0.0,,,,,,,,
Cc1c(Cl)cccc1N(CC(=O)N1CCCCCC1)S(C)(=O)=O,CID648161,0.0,,,0.0,0.0,,,,,0.0,,,0.0,,,,0.0
CS(=O)(=O)N(CC(=O)N1CCCCCC1)c1cccc(Br)c1,CID1339092,,,,,,,0.0,,0.0,,0.0,,,,,,0.0
Cc1ccc(Cl)cc1N(CC(=O)N1CCCCCC1)S(C)(=O)=O,CID1148702,,0.0,,,0.0,0.0,,,,0.0,,,,,,,
Cc1cc2cc(CCNC(=O)c3ccc(Br)o3)c(=O)[nH]c2cc1C,CID3241566,0.0,,,,,,,,0.0,,0.0,,,,,0.0,0.0
COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)c3ccc(Br)o3)cc12,CID3244918,,,,,,,,,,,,,,,,0.0,0.0
Cc1ccc2cc(CCNC(=O)c3ccco3)c(=O)[nH]c2c1,CID3241503,,0.0,0.0,0.0,,,,,0.0,,,,,,,,0.0
Cc1ccc2cc(CCNC(=O)c3ccco3)c(=O)[nH]c2c1C,CID6324585,,0.0,,,,,,0.0,,,,,,,,,
Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)c3ccc(Br)o3)cc12,CID3237930,0.0,,,,,,,,,,0.0,,,,,0.0,0.0
COc1ccc2cc(CCNC(=O)c3ccc(Br)o3)c(=O)[nH]c2c1,CID4524378,0.0,,,,,,,,,,,,,,,0.0,
Cc1ccc2cc(CCNC(=O)c3ccc(Br)o3)c(=O)[nH]c2c1,CID3242777,0.0,,,,,,,,0.0,,,,,,,0.0,
O=S(=O)(NCCc1ccncc1)c1ccc(Br)cc1,CID823268,,,,,,,,,0.0,,0.0,,,0.0,,,
Cc1ccc(S(=O)(=O)NCCc2ccncc2)cc1,CID746659,,0.0,0.0,,,,,,,0.0,,0.0,0.0,,,,
CCCc1ccc(S(=O)(=O)NCCc2ccncc2)cc1,CID714397,0.0,,,,,,,,,,,,,,,0.0,0.0
CC(C)(C)c1ccc(S(=O)(=O)NCCc2ccncc2)cc1,CID688004,0.0,0.0,,0.0,,,0.0,,,,,0.0,,,,,0.0
CCCCCc1ccc(S(=O)(=O)NCCc2ccncc2)cc1,CID3598383,,,,,,,,,,,,,,0.0,,,
O=S(=O)(NCCc1ccncc1)c1cc(Br)ccc1F,CID1291234,0.0,,,,,,,,0.0,,,,,0.0,,0.0,0.0
CCCCc1ccc(S(=O)(=O)NCCc2ccncc2)cc1,CID2059949,0.0,,,,,,,0.0,,,,0.0,0.0,,,,
Cc1cc(C)nc(NC(=O)c2ccc(OC(C)C)cc2)n1,CID661525,,0.0,0.0,0.0,0.0,,,,0.0,,,,0.0,0.0,,,
Cc1cc(C)nc(NC(=O)c2cccc([N+](=O)[O-])c2C)n1,CID884463,,,,,,,,,,,,,,0.0,0.0,,
Cc1cc(C)nc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)n1,CID885201,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)nc(NC(=O)c2ccc(Cl)c(Cl)c2)n1,CID885176,,,,,,,,,,,,0.0,,,,,
Cc1cc(C)nc(NC(=O)c2ccc(Cl)cc2Cl)n1,CID670267,,,,,,,,,,,,,,0.0,,,
CCOc1cc(C(=O)Nc2ncccn2)cc(OCC)c1OCC,CID771150,,,,,0.0,,,,0.0,,,,0.0,,,,
Cc1cc(C)nc(NC(=O)c2cccc(Cl)c2)n1,CID885074,0.0,0.0,0.0,0.0,,0.0,,,,0.0,,,,,,0.0,0.0
Fc1ccc2nc(N3CCCCC3)sc2c1,CID3235969,,,,,,0.0,,,,,,,0.0,,,,
Clc1ccc2nc(N3CCCCC3)sc2c1,CID2741379,,0.0,,,,,,,,,,,0.0,0.0,,,
COc1ccc(OC)c2sc(N3CCCCC3)nc12,CID3240141,,,0.0,,,,,,,,0.0,,,,,,
Clc1cccc2sc(N3CCCCC3)nc12,CID3239283,,0.0,,0.0,,,,,,,,,,,,,
CCOC(CNC(=O)c1ccc2nc(N3CCC(C)CC3)sc2c1)OCC,CID9550548,,,,,,,,,,,,0.0,,,,,
Fc1cc(F)c2nc(N3CCCCC3)sc2c1,CID3237325,,,,,,,,,,,,,,,0.0,,0.0
CC1CCN(c2nc3ccc(C(=O)O)cc3s2)CC1,CID3238343,,,,,,,,0.0,,,,,,,,,
COCCCN1C(=O)c2ccc(C(=O)Nc3ccccc3OC)cc2C1=O,CID1944900,,,,,,,,,,,0.0,,,,0.0,,
CC(C)(C)N1C(=O)c2ccc(C(=O)Nc3cccc(C(=O)O)c3)cc2C1=O,CID1116735,,,,,,0.0,,,,,,,,,,,
CCCCN1C(=O)c2ccc(C(=O)Nc3ccc(C)c(S(=O)(=O)N(C)C)c3)cc2C1=O,CID15945376,,,,,,,,,,,,,,0.0,,,
COCCCN1C(=O)c2ccc(C(=O)Nc3ccc(OC)cc3OC)cc2C1=O,CID660545,,,,,,,,,,,,,0.0,,0.0,,
Cc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(CCC(C)C)C2=O,CID2598918,,,,,,0.0,,,0.0,0.0,,,,,,,
CCCCN1C(=O)c2ccc(C(=O)Nc3cccc(C)c3C)cc2C1=O,CID2599545,,,,,,0.0,,,,,,,,,,,
COCCCN1C(=O)c2ccc(C(=O)Nc3cccc(OC)c3)cc2C1=O,CID1939777,,,,,,,,,,,0.0,,,,,,
Cc1occc1C(=O)OCC(=O)Nc1ccc(F)cc1,CID573250,,,,0.0,,0.0,,0.0,,,,,,,,,
Cc1cc(C(=O)OCC(=O)Nc2ccc(F)cc2)c(C)o1,CID2366984,,,,,,,,0.0,,0.0,,,,0.0,,,
Cc1cc(C(=O)OCC(=O)Nc2ccccc2F)c(C)o1,CID2642228,,,,,,,,,,0.0,,,,,,,
Cc1cc(C)cc(NC(=O)COC(=O)c2cc(C)oc2C)c1,CID2434456,,,,,,,,,,,,,,,0.0,,
Cc1cc(C(=O)OCC(=O)Nc2ccccc2)c(C)o1,CID2645864,,,,,,,,,,,,,,0.0,0.0,,
Cc1cc(C(=O)OCC(=O)Nc2ccc(F)cc2F)c(C)o1,CID2435699,,,,,,,,,,,0.0,,0.0,,,,0.0
Cc1cccc(NC(=O)COC(=O)c2cc(C)oc2C)c1,CID2129347,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1c(-c2cccs2)csc1NC(=O)C(C)(C)C,CID917279,,,,,,,,,,0.0,,,,0.0,0.0,,
CCOC(=O)c1c(-c2cccs2)csc1NC(=O)CN(CC)CC,CID1251215,,,,,,0.0,,,,0.0,0.0,,,,,,
CCOC(=O)c1c(-c2cccs2)csc1NC(=O)CC(C)C,CID762489,,,,,,,,,,0.0,,,,0.0,,,
CCOC(=O)c1c(-c2cccs2)csc1NC(=O)CCCC(=O)O,CID661072,,,0.0,,0.0,,,,,,,,,0.0,0.0,,
CCOC(=O)c1c(-c2ccc(C)s2)csc1N,CID711175,,,,,,,,,,,,,,0.0,,,
NC(=O)c1c(-c2cccs2)csc1N,CID898663,,,0.0,,,,,,,,,,,,,,
CCOC(=O)c1c(-c2cccs2)csc1NC(C)=O,CID759955,,,,,,,,,,,,,,0.0,,,
Nc1sccc1C(=O)c1ccc(Cl)cc1,CID654924,,,,,,,,,,0.0,,,0.0,0.0,,,
Cc1cc(C(=O)c2ccc(Cl)cc2)c(NC(=O)CCl)s1,CID859632,,,,,,,,,,,,,,0.0,,,
Cc1sc(N)c(C(=O)c2ccccc2Cl)c1C,CID859637,,,,,,,,,,,,,,0.0,,,
CCc1cc(C(=O)c2ccc(C)cc2)c(NC(=O)CCl)s1,CID859639,,,,,,,,,,,,,,0.0,,,
Cc1sc(NC(=O)CCl)c(C(=O)c2ccccc2)c1C,CID615593,,,,,,,,,,,,,,0.0,,,
CCc1cc(C(=O)c2ccccc2OC)c(N)s1,CID649834,,,,0.0,0.0,0.0,,0.0,,,,,,,,,
Nc1sccc1C(=O)c1ccccc1,CID644720,,,0.0,0.0,0.0,,,,,,,,,,,,
Cc1onc(-c2ccccc2)c1C(=O)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1,CID2863587,,,,,,0.0,,,,,,,,,,,
Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(c2cccc(Cl)c2)CC1,CID1005075,0.0,,,,,,,,,,,,0.0,,,,
COc1ccccc1N1CCN(C(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)CC1,CID651762,0.0,,,,,,,,,,,,0.0,,,,
COc1ccc(N2CCN(C(=O)c3c(-c4ccccc4)noc3C)CC2)cc1,CID1094864,0.0,0.0,,0.0,,,,,0.0,,,,,0.0,,,
COc1ccccc1N1CCN(C(=O)c2c(-c3ccccc3)noc2C)CC1,CID1366697,0.0,,,0.0,,0.0,,0.0,,,,,,0.0,,,
COc1ccccc1N1CCN(C(=O)c2c(-c3ccccc3Cl)noc2C)CC1,CID660070,0.0,,0.0,,,0.0,0.0,,,,,,,,,0.0,0.0
Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(c2ccccc2)CC1,CID1050462,0.0,,,0.0,,,,,,0.0,,,0.0,,,,0.0
Cn1c(SCc2c(F)cccc2Cl)nnc1-c1cccs1,CID662645,,,,,,,,,,,,,,0.0,,,
Cn1c(SCc2ccccc2)nnc1-c1cccs1,CID663344,0.0,0.0,0.0,0.0,0.0,,,,,,,,,0.0,0.0,0.0,
CCn1c(SCc2ccccc2)nnc1-c1cccs1,CID936961,0.0,0.0,0.0,0.0,0.0,,0.0,,,,,,0.0,0.0,,,
Cn1c(SCc2ccc(F)cc2)nnc1-c1cccs1,CID662988,,,0.0,,0.0,,,,,,,,0.0,,,,
Cn1c(SCc2c(Cl)cccc2Cl)nnc1-c1cccs1,CID662435,,,,,,,,,,,,,,,0.0,,
Cn1c(SCc2ccc(Br)cc2)nnc1-c1cccs1,CID662673,,,,,,,,,,,,,,,,0.0,
Cc1ccc(CSc2nnc(-c3cccs3)n2C)cc1,CID937104,,,0.0,,0.0,,0.0,,,0.0,0.0,,,0.0,,0.0,
O=C(O)C1CCCCC1C(=O)NCc1ccc(F)cc1,CID2933604,,,0.0,0.0,,,,0.0,,,,,,,,,
NS(=O)(=O)c1ccc(CNC(=O)C2CCCCC2)cc1,CID1377910,,,,,0.0,,0.0,,,,,,0.0,0.0,,0.0,
O=C(O)CC(NC(=O)C1CCCCC1)c1cc([N+](=O)[O-])ccc1Cl,CID4919114,,,,,,,,,,,,,,,0.0,,
CC(C)Oc1ccc(C(CC(=O)O)NC(=O)C2CCCCC2)cc1,CID3238267,,0.0,,,,,,0.0,,,0.0,,,,,,
COc1ccc(C(CC(=O)O)NC(=O)C2CCCCC2)cc1,CID3239143,0.0,,,,,,,0.0,,,0.0,,,,,0.0,0.0
O=C(O)C1CCCCC1C(=O)NCc1ccccc1,CID2841812,,,,,,,,,,0.0,,,,,,,
Cc1ccc(CNC(=O)C2CCCCC2C(=O)O)cc1,CID307336,,,,,,,,0.0,0.0,0.0,,,,,,,0.0
CCCCN1C(=O)NC(NC(C)=O)(C(F)(F)F)C1=O,CID2968525,,,,,,,0.0,,0.0,,,,,,,,
CCC1(CC)NC(=O)NC1=O,CID21600,,,0.0,0.0,,,,0.0,,,0.0,,,,,,
CC(C)CC1(C)NC(=O)NC1=O,CID141385,,,,0.0,,,0.0,,,,,0.0,,,,,
CCCC1(CCC)NC(=O)NC1=O,CID234754,,,,0.0,,,,,,0.0,,0.0,,,,,
O=C(O)CN1C(=O)CNC1=O,CID2512552,,,,,,,0.0,0.0,,,,0.0,,,,,
CSCCC1NC(=O)NC1=O,CID567982,,0.0,,,0.0,,,,,,,,,,,,0.0
CC(=O)NC1(C(F)(F)F)NC(=O)N(CC(C)C)C1=O,CID3238722,,,,,,,,,,,,,,,,,0.0
CS(=O)(=O)N(CC(=O)NCc1ccccc1Cl)Cc1ccccc1,CID982254,,,,,,,,,,0.0,,,,,,,
COc1ccccc1CNC(=O)CN(Cc1ccc(Cl)cc1)S(C)(=O)=O,CID2230086,,,,,,,,,,,,,,0.0,,,
CSc1ccc(CN(C)CC(=O)NC(C)c2ccccc2)cc1,CID4880532,,,,,,,,,,,,,,,0.0,,
CN(Cc1ccccc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O,CID848130,,,,,,,,,0.0,,,0.0,,,,,
Cc1ccc(CNC(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1,CID848137,,,,,,,,,,0.0,,0.0,,,,,
COc1ccc(CNC(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1,CID2301916,,,,,,,,,,,,,,,0.0,,
CS(=O)(=O)N(CC(=O)NCc1ccccc1)Cc1ccc(Cl)cc1,CID2243231,,,,,,,,,,,,,,,0.0,,
CCS(=O)(=O)c1ccc2oc(Nc3ccc(C(C)C)cc3)nc2c1,CID2462953,,,,,,,,,,,,0.0,,,,,
COCCOc1ccc(C(F)(F)F)cc1Nc1nc2ccccc2o1,CID2111934,,,,0.0,,,,,0.0,,,,,,,,0.0
CCS(=O)(=O)c1ccc2oc(Nc3cc(C)cc(C)c3)nc2c1,CID2413916,,,,,,0.0,,,0.0,0.0,,0.0,,,,,
FC(F)(F)Oc1ccc(Nc2nc3ccccc3o2)cc1,CID626332,,,,0.0,,,,,,,,,,,,,0.0
CCS(=O)(=O)c1ccc2oc(Nc3ccccc3C)nc2c1,CID2389192,0.0,,0.0,0.0,,0.0,,,,,,0.0,,,,0.0,0.0
Cc1cccc(C)c1Nc1nc2ccccc2o1,CID714174,,,,0.0,,,0.0,,,0.0,,,0.0,,,0.0,
c1ccc(Nc2nc3ccccc3o2)cc1,CID243391,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCOC)/c1=N/C(=O)c1ccncc1,CID663606,,0.0,,,,,0.0,,,,,,,,,,
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N\C(=O)c1ccncc1,CID2155914,,,,,,,,,,,,0.0,,,,,
Cc1cccn2c(=O)c3cc(C#N)/c(=N\C(=O)c4ccncc4)n(CCCOC(C)C)c3nc12,CID664885,,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCOC)/c1=N/C(=O)c1ccncc1,CID2158287,,0.0,,,,,,,,,,,,,,,
CCCn1/c(=N/C(=O)c2ccncc2)c(C#N)cc2c(=O)n3cccc(C)c3nc21,CID664005,,0.0,,,,,0.0,0.0,,,,,,,,,
COCCCn1/c(=N/C(=O)c2ccncc2)c(C#N)cc2c(=O)n3cccc(C)c3nc21,CID662796,,0.0,,,,,,,,,,,0.0,,,,
CC(C)OCCCn1/c(=N/C(=O)c2ccncc2)c(C#N)cc2c(=O)n3ccccc3nc21,CID663388,,,,0.0,,,0.0,,,,,,,,,,
Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1,CID373718,,,,,0.0,,0.0,,0.0,,,,,,,0.0,
Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1,CID651080,,,,,0.0,,,,,,,,,,,,0.0
COc1ccc(F)cc1S(=O)(=O)N1CCCN(S(=O)(=O)c2cc(F)ccc2OC)CC1,CID991851,,,,,0.0,,,,0.0,,0.0,,,,,,
COc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(OC)cc3C)CC2)c(C)c1,CID1160013,,,,,0.0,,,,,,,,,,,,
CC(=O)Nc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)cc1,CID1313295,,,,,0.0,,,,,,,,,,,0.0,
CC(=O)Nc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1,CID646423,,,,,0.0,0.0,,,,,,,0.0,,,0.0,
COc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(OC)c(C)c3)CC2)cc1C,CID1160008,,,,,,,,,,0.0,,,,,,,
CCC(C)(C)NC(=O)C(c1ccc(C)cc1)N(Cc1ccco1)C(=O)Cn1nnc2ccccc21,CID3196306,,,,,,,,,,,0.0,0.0,,,,,
COCCNC(=O)C(c1ccc(C)o1)N(Cc1ccc(OC)cc1)C(=O)Cn1nnc2ccccc21,CID647835,0.0,,,,,,,,,,,,,,,,
COCCNC(=O)C(c1ccco1)N(Cc1ccc(OC)cc1)C(=O)Cn1nnc2ccccc21,CID654518,0.0,,0.0,,,,0.0,,,,,,,,,,
COCCNC(=O)C(c1ccc(C)o1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21,CID652484,0.0,,0.0,0.0,,,0.0,,,,0.0,0.0,,,,,
COc1ccc(CN(C(=O)Cn2nnc3ccccc32)C(C(=O)NC(C)(C)C)c2ccco2)cc1,CID654408,0.0,0.0,,,,,,,,,,,,,,,
CCc1ccc(C(C(=O)NC(C)(C)CC)N(Cc2ccco2)C(=O)Cn2nnc3ccccc32)cc1,CID3198855,,,,,,,,,,,,0.0,,,,,
CCC(C)(C)NC(=O)C(c1ccccc1F)N(Cc1ccco1)C(=O)Cn1nnc2ccccc21,CID653611,0.0,,0.0,,,0.0,,,,,,0.0,,,,,
CCCCOc1ccc(CN(C)c2ncnc(N)n2)cc1,CID625492,,0.0,,0.0,,,0.0,,,,0.0,,,,,,
COc1ccc(CN(C#N)c2nc(SC)nc(N(C)C)n2)cc1,CID658024,,,,,0.0,,,,,,0.0,0.0,,,,,
COc1nc(NCc2ccc(Cl)cc2)nc(OC)n1,CID887238,0.0,0.0,0.0,,,,,,,,,,0.0,,,,
COc1ccc(CN(C)c2ncnc(N)n2)cc1,CID757830,,,,,,,,,,,,,,,0.0,,
CCOC(=O)CNC(=O)CSc1nc(NCc2ccccc2)nc(N(C)C)n1,CID2239896,,0.0,,0.0,,,,0.0,,0.0,,,,,,,
CCOc1ccc(CNc2ncnc(N)n2)cc1,CID540728,,,,,,,,,,,,,,0.0,,,
CCNc1nc(NC(C)C)nc(N(C#N)Cc2ccccc2)n1,CID651843,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccc(F)cc1)/C(=C\c1cccs1)NC(=O)c1ccccc1,CID1806739,,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccccc1)/C(=C\c1cccs1)NC(=O)c1ccccc1,CID2263090,,,,,,0.0,,,,,,,,,,,
Cc1ccc(NC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2)cc1,CID5441806,,,,,,,,,,,,,,,0.0,,
Cc1ccccc1NC(=O)/C(=C\c1cccs1)NC(=O)c1ccc(C(C)(C)C)cc1,CID5347180,,,,,,0.0,,,,,,,,,,,
O=C(Nc1cccc(O)c1)/C(=C\c1cccs1)NC(=O)c1ccccc1,CID1724956,,,,,,0.0,,,,,,,,,,,
COc1ccccc1NC(=O)/C(=C\c1cccs1)NC(=O)c1ccc(C(C)(C)C)cc1,CID2266333,,,,,,0.0,,,,,,,,,,,
NS(=O)(=O)c1ccc(NC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2)cc1,CID2262551,,,,,,0.0,,,,,,,,,,,
COC(=O)c1nn2c(C(F)(F)F)cc(-c3ccc(Br)o3)nc2c1Br,CID659904,,,,,,,,,0.0,,,,,,,,
O=C(O)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12,CID659606,,,,,,,,,0.0,,,,,,,,0.0
CC(C)CCNC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12,CID3242814,,,,,0.0,,0.0,,0.0,,,,,,,,0.0
NC(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1,CID2056940,,,,,,,,,0.0,,,,,,,,
COC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12,CID757575,,,,0.0,0.0,,,,,,,,,,,,
CCOC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12,CID653845,,,,,0.0,,,,0.0,,,,,,,,0.0
Cc1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1,CID976987,,,,,,,,,0.0,,,,,,,,0.0
Cc1ccc(OCCCC(=O)Nc2nncs2)cc1,CID649235,,0.0,,,,0.0,0.0,,,,,,,,,,0.0
O=C(CCCOc1ccccc1)Nc1nncs1,CID652428,,0.0,,0.0,,,,,,0.0,0.0,0.0,,,,0.0,
COCc1nnc(NC(=O)CCCOc2ccccc2OC)s1,CID653898,0.0,0.0,0.0,0.0,,,,0.0,0.0,,,,,,,0.0,
O=C(CCCOc1ccc(Cl)cc1)Nc1nncs1,CID646217,0.0,,0.0,,0.0,0.0,0.0,,,0.0,,,,,0.0,,0.0
COCc1nnc(NC(=O)CCCOc2ccccc2)s1,CID2180822,0.0,0.0,,,,,,0.0,0.0,0.0,0.0,0.0,,,,0.0,0.0
COc1ccc(OCCCC(=O)Nc2nncs2)cc1,CID652201,,,,,,,0.0,,,,,0.0,,,,0.0,0.0
Cc1nnc(NC(=O)CCCOc2ccccc2)s1,CID3148068,,,,,,,,,,0.0,0.0,,,,,,
CC(=O)Nc1ccc(CN2CCCCCCC2)cc1,CID754185,0.0,0.0,,0.0,,,0.0,,,,,0.0,,,,0.0,
COc1cc(OC)c(CN2CCCCCCC2)cc1Br,CID765313,,,,,,,,,,,,0.0,,,0.0,,
Fc1cccc(CN2CCCCCCC2)c1,CID792680,,,,0.0,,,,,,,,,,,,,
Fc1ccc(CN2CCCCCCC2)cc1F,CID792757,,,,0.0,,,,,,,,,,0.0,,,
Oc1ccc(Br)cc1CN1CCCCCCC1,CID757597,0.0,,,,,,,,,,,,,,,,0.0
COc1ccc(Br)cc1CN1CCCCCCC1,CID791262,,,,,,,,,,,0.0,0.0,,,,,
Fc1ccc(CN2CCCCCCC2)cc1,CID785767,,,,,,,,,,,,,,,0.0,,
COc1ccc(CCNC(=O)c2c[nH]c3ccccc3c2=O)cc1OC,CID650623,0.0,0.0,0.0,0.0,,,0.0,,0.0,,,,,,,,0.0
COc1cc2[nH]cc(C(=O)NCCc3ccccc3)c(=O)c2cc1OC,CID3217657,,,,,,,,,0.0,,0.0,,,,,,
COc1ccc2c(=O)c(C(=O)NCCc3ccc(OC)c(OC)c3)c[nH]c2c1,CID645639,0.0,,,,,,0.0,,,,,,,,,,
CCn1c(O)c(C(=O)NCCc2ccccc2)c(=O)c2ccccc21,CID645335,,,,0.0,0.0,,0.0,,0.0,,,0.0,0.0,,,,
C=CCn1c(O)c(C(=O)NCCc2ccccc2)c(=O)c2ccccc21,CID828350,0.0,,,,0.0,,0.0,,0.0,,,,,,,0.0,0.0
CCN(CC)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCCc3ccccc3)c(=O)c2c1,CID3238680,,,,,0.0,,0.0,0.0,0.0,,0.0,,0.0,,0.0,,0.0
CCN(CC)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCCc3ccc(OC)c(OC)c3)c(=O)c2c1,CID3244984,,,0.0,,0.0,,,0.0,,,,,,,,,
CCN1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1,CID946287,,0.0,,,,,,0.0,,,0.0,,,,0.0,,
CCN1CCN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)CC1,CID892636,,,0.0,,,,0.0,,,,,,,,,,
CCOC(=O)N1CCN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)CC1,CID1315610,0.0,0.0,,,,,,,,,,,,,,,
CN1CCN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)CC1,CID892432,0.0,0.0,0.0,,,,,,,,,,,,,,
CS(=O)(=O)N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1,CID1463395,,,,,,,,,,,,,,,0.0,,
CCN1CCN(c2ncnc3c2cnn3-c2ccc(C)cc2C)CC1,CID940204,,0.0,,0.0,,,,,,,,,,,,,0.0
CCOC(=O)N1CCN(c2ncnc3c2cnn3-c2ccc(OC)cc2)CC1,CID661225,0.0,,,0.0,,,,,,,,,,,,,
CCOc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cc1,CID1193009,,,,,,,0.0,0.0,,,,,,,,0.0,0.0
COc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3Cl)cc2)nc(OC)n1,CID1014082,,,0.0,,0.0,,,,,,,0.0,0.0,,,,
COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cc1,CID2998330,,,0.0,,,,0.0,,0.0,,,,,,,0.0,0.0
COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1,CID660126,,,0.0,,,,,,,,,,0.0,,,,0.0
COc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(C)cc3)cc2)nc(OC)n1,CID1011052,,0.0,0.0,,,,,,0.0,,0.0,,,,,0.0,0.0
COc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(C)cc3C)cc2)nc(OC)n1,CID2142907,,,,,,,,,0.0,,0.0,,,,,,
COc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3C)cc2)nc(OC)n1,CID647000,,,,,,,,,0.0,,,,,,,,0.0
CC1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2)CC1,CID1089313,0.0,0.0,,,,,,,,,,,,,,,0.0
CCOC(=O)Cn1c(=O)c2c(nc(N3CCCCC3)n2Cc2ccccc2)n(C)c1=O,CID660526,0.0,0.0,,,,,,,,,,0.0,,,,,
CC1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2Cl)CC1,CID1089317,0.0,0.0,,,,,,,,,0.0,,,,,,0.0
CC1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)CC1,CID645389,0.0,0.0,,0.0,,,0.0,0.0,,,,,,,,,
CC1CCCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)C1,CID645862,,0.0,,,,0.0,,,,,,,,,,,
CC1CCCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2Cl)C1,CID3156041,0.0,0.0,0.0,,,,,,,,,,,,,,
Cc1cccc(Cn2c(N3CCCCC3C)nc3c2c(=O)[nH]c(=O)n3C)c1,CID2987820,,0.0,,,,,,,,,,,,,0.0,,
CCc1cc(C(=O)Nc2ccc(C)cc2Br)cs1,CID841870,,,,,,,,,0.0,,,,,,,,
Cc1cc(C)cc(NC(=O)c2cc(Cl)sc2Cl)c1,CID7120754,,,,,,,,,,,,,,0.0,,,
CCCC(=O)Nc1sc(C)c(C)c1C(=O)Nc1cccc(C)c1,CID947379,,,,,,,,,,,,0.0,,,,,
Cc1sc(NC(=O)C(C)C)c(C(=O)Nc2ccccc2)c1C,CID786590,,,,,,,,,,,,0.0,,,,,
CC(=O)Nc1sc(C)c(C)c1C(=O)Nc1ccc(C)cc1,CID917185,,,,,,,,,,,,0.0,,,,,
CCc1cc(C(=O)Nc2ccccc2)cs1,CID1245868,,,,0.0,0.0,,0.0,,,,,,,,,,
Cc1cc(C(=O)N(NC(=O)C(C)C)c2ccccc2)cs1,CID765465,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3sccc3C)CC2)cc1,CID2576302,,,,,,0.0,,,0.0,,0.0,,,,,,
COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccs3)CC2)cc1,CID1147989,,,0.0,,0.0,0.0,0.0,,0.0,0.0,0.0,,,,,,
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccs3)CC2)cc1,CID1148082,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccs3)CC2)cc1C,CID1262770,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccs3)CC2)c(C)c1,CID1262775,,,,,,,,,,,,,,0.0,,,
O=C(c1cccs1)N1CCN(S(=O)(=O)c2ccccc2)CC1,CID717233,,,,,,,,,0.0,0.0,,,,0.0,0.0,,
COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccs3)CC2)cc1OC,CID1247100,,,0.0,0.0,0.0,,0.0,,0.0,,,,0.0,,,,
COc1ccc(-c2csc(NC(=O)c3ccc(S(C)(=O)=O)cc3)n2)cc1,CID2521238,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccc(-c2csc(NC(=O)c3ccc(Cl)cc3)n2)cc1,CID747996,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-c2csc(NC(=O)c3cccc([N+](=O)[O-])c3)n2)cc1,CID678894,,,,,,,,,,,,,,0.0,,,
O=C(Nc1nc(-c2ccccc2)cs1)c1cccc([N+](=O)[O-])c1,CID678271,,,,,,0.0,,,,,,0.0,,,,,
Cc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1[N+](=O)[O-],CID740258,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-c2csc(NC(=O)c3cccc([N+](=O)[O-])c3C(=O)O)n2)cc1,CID3123320,,,,,,,,,,,,,,,0.0,,
COc1ccc(-c2csc(NC(=O)c3ccccc3C(=O)O)n2)cc1,CID5057513,,,,,,,,,,,,,,,0.0,,
Cc1ccnc2nc(C(=O)OCCOc3ccccc3)nn12,CID2364141,,0.0,0.0,,,,,,,,,,0.0,0.0,0.0,,
Cc1cc(C)n2nc(C(=O)OCCOc3cccc(Br)c3)nc2n1,CID2124847,0.0,,,,,,0.0,,0.0,,,,,,,,0.0
Cc1cc(C)n2nc(C(=O)OCCOc3ccc(Br)cc3)nc2n1,CID2430016,0.0,,,,,,,,,,,,,,,0.0,
Cc1cc(C)n2nc(C(=O)OCCOc3ccc(F)cc3)nc2n1,CID2410779,,,,0.0,,0.0,,0.0,,,,,,,,,
Cc1ccnc2nc(C(=O)OCCOc3ccc(Cl)cc3)nn12,CID2530637,,,,,,,,,,,,,,,0.0,,
Cc1ccc(OCCOC(=O)c2nc3nccc(C)n3n2)cc1,CID2109911,,,,,,,,,,,,,,,0.0,,
Cc1ccnc2nc(C(=O)OCCOc3cccc(Br)c3)nn12,CID2410622,0.0,,,,,,0.0,,0.0,,,,,,0.0,0.0,
COc1ccc(/C=C(\C#N)C(=O)Nc2cccnc2)cc1,CID1587868,,,,,,,,,,,,,,,0.0,,
O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cccnc1,CID800292,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccnc2)cc1,CID1587875,,,,,,,,,,,,,,0.0,,,
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cccnc1,CID834793,,,,,,,,,,,,,,0.0,0.0,,
COc1cccc(/C=C/C(=O)Nc2ccc(OC)nc2)c1,CID7478560,,,,,,,,,,,,,,0.0,,,
O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1cccnc1,CID890257,,,,,,,,,,,,,,0.0,,,
COc1ccc(O)c(/C=C(\C#N)C(=O)Nc2cccnc2)c1,CID948633,,,,,,,,,,,,,,,0.0,,
CC(=O)N1CCN(Cc2nc3cc(NS(C)(=O)=O)ccc3n2C)CC1,CID1252314,,,,0.0,,,,0.0,,,,,0.0,,,0.0,
CCCCn1c(CN2CCN(C)CC2)nc2ccccc21,CID666754,,,,,,0.0,,0.0,,,,,,,,,
CCCn1c(CN2CCN(C)CC2)nc2ccccc21,CID2985021,,,,,,0.0,,,,,,0.0,,,,,
CCOC(=O)Nc1ccc2c(c1)nc(CN1CCN(C(C)=O)CC1)n2C,CID1253300,,,0.0,0.0,,,0.0,0.0,,,,,,0.0,0.0,,
CN1CCN(Cc2nc3ccccc3n2C)CC1,CID667042,,0.0,,0.0,,,,,,,,0.0,,,,,
CCCCn1c(CN2CCN(CCO)CC2)nc2ccccc21,CID666127,,0.0,,0.0,,,,,,,,0.0,,,,,
CCCC(=O)Nc1ccc2c(c1)nc(CN1CCN(C(C)=O)CC1)n2C,CID4895392,,,,,,,,,,,0.0,,,,,,
CN(c1ccccc1C(=O)O)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2,CID1652909,,,,,0.0,,,0.0,,,,,0.0,,,,
CCN(c1cccc(C)c1)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2,CID1181502,,,,,,,,,,,,0.0,,,,,
CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccc(OC)cc4OC)ccc1c23,CID1523408,,0.0,,0.0,,0.0,,,,0.0,0.0,,,,0.0,0.0,
CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccccc4)ccc1c23,CID1535153,,,,,,0.0,,,0.0,,,0.0,,,0.0,,
O=C(O)c1ccccc1NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2,CID1720676,,,,,0.0,,,0.0,,,,,,,,0.0,
COC(=O)c1ccccc1NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2,CID1720681,,,,,0.0,0.0,0.0,,0.0,0.0,,,,,,0.0,
CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccccc4OC)ccc1c23,CID1523405,,,,0.0,,,,,,,,,,,0.0,,
CSc1nc2sc(-c3ccccc3)cc2c(=O)n1N,CID848952,,,,,,0.0,,,,,,,,,,,
CCCCCn1cnc2sc(-c3ccccc3)cc2c1=O,CID1566535,,,,,,,,,,,,,,,0.0,,
CCCCn1cnc2sc(-c3ccccc3)cc2c1=O,CID1566536,,,,,,,,,,,,0.0,,,,,
CC(C)Sc1nc2sc(-c3ccccc3)cc2c(=O)n1N,CID848953,,,,,,,,,,,,0.0,,,,,
CCn1cnc2sc(-c3ccccc3)cc2c1=O,CID660974,,0.0,0.0,,,,0.0,,,,,,0.0,,0.0,,0.0
CC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O,CID731274,,,,,,,,,,,,0.0,,,,,
N#CCn1cnc2sc(-c3ccccc3)cc2c1=O,CID975007,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1cnc2c(C(F)(F)F)cccc2c1N1CCOCC1,CID1266136,,,,0.0,,,,,0.0,,,,,,,,0.0
Cc1cc(N2CCOCC2)c2c(N)cc(C)c(C)c2n1,CID743483,,,,,,,,,,,0.0,0.0,,,,,
Cc1cc(N2CCOCC2)c2c(N)c(C)cc(C)c2n1,CID743485,,,,,,,0.0,0.0,,0.0,,0.0,,,,0.0,
COc1ccc(OC)c2c(N3CC(C)OC(C)C3)cc(C(F)(F)F)nc12,CID3240255,,,,,,,,,,,,,,,,,0.0
COc1ccc2nc(C)cc(N3CCOCC3)c2c1,CID673338,,,,,,,,,,0.0,,0.0,0.0,,,,
COc1ccc2nc(C)cc(N3CC(C)OC(C)C3)c2c1,CID2999126,,,,,,,,,,0.0,,,,,,,0.0
Cc1cc(N2CCOCC2)c2c(N)c(Br)cc(C)c2n1,CID873949,,,,,,,,,,,,,,,,0.0,0.0
Cc1cccc(NC(=O)N2CCC(NC(=O)c3ccccc3C)CC2)c1,CID649269,0.0,0.0,,,,,,,,,,0.0,,,,,0.0
CCOc1ccc(C(=O)NC2CCN(C(=O)Nc3ccccc3OC)CC2)cc1,CID3218407,,,,,,,,,0.0,,,0.0,,,,,
Cc1ccc(NC(=O)N2CCC(NC(=O)c3ccccc3C)CC2)cc1,CID653479,0.0,,0.0,0.0,,,,0.0,,,,0.0,,,,,0.0
Cc1cc(C)cc(NC(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)c1,CID655755,,,0.0,0.0,,,,0.0,,,,0.0,,,,,
CCOc1ccccc1NC(=O)N1CCC(NC(=O)c2ccccc2C)CC1,CID644562,,0.0,,,,,,,,,,0.0,,,,,0.0
CCOc1ccccc1NC(=O)N1CCC(NC(=O)c2cccc(C)c2)CC1,CID651245,0.0,,0.0,,,0.0,,,,,,0.0,,,,,0.0
Cc1cc(C)cc(NC(=O)N2CCC(NC(=O)c3ccccc3C)CC2)c1,CID3218425,,,,,,,,,,0.0,,,,,,,
O=C(N/N=C/C=C\c1ccccc1)c1cnccn1,CID1603428,,,,,,,,,,,,,,0.0,0.0,,
O=C(N/N=C/C=C/c1ccccc1)c1cnccn1,CID1603429,,,,,,0.0,,,,,,,,,0.0,,
CC(/C=C/c1ccccc1)=N\NC(=O)c1cnccn1,CID1219470,,,,,,,,,,,,0.0,,0.0,,,
CC(=C/c1ccccc1)/C=N/NC(=O)c1cnccn1,CID948558,,,,,,,,,,,,,,0.0,0.0,,
COc1ccccc1/C=C/C=N/NC(=O)c1cnccn1,CID1552507,,,,,,,,,,,,,,0.0,0.0,,
O=C(N/N=C/C(Cl)=C/c1ccccc1)c1cnccn1,CID697029,,,,,,,,,,,,,,,0.0,,
O=C(N/N=C/C(Cl)=C\c1ccccc1)c1cnccn1,CID697027,,,,,,,,,,,,,,,0.0,,
CSc1nccn1CC(=O)Nc1ccc(F)cc1,CID685436,,,,,,,0.0,,,,,,,,,0.0,
COC(=O)c1ccccc1NC(=O)Cn1ccnc1,CID674827,,,,,,,,,0.0,,,,,,0.0,,
Cc1ccc(NC(=O)Cn2c([N+](=O)[O-])cnc2C)cc1,CID753314,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1NC(=O)Cn1c([N+](=O)[O-])cnc1C,CID753317,,,,,,,,,,,,,,,0.0,,
Cc1cccc(NC(=O)Cn2c([N+](=O)[O-])cnc2C)c1C,CID828944,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C)c(NC(=O)Cn2c([N+](=O)[O-])cnc2C)c1,CID777330,,,,,,,,,,,,,,,0.0,,
CSc1nccn1CC(=O)Nc1ccccc1,CID695629,,,,,,0.0,,,,,,,,,,,
Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCc1ccccc1F,CID5308365,0.0,,,,,0.0,,,,0.0,,,0.0,,,,
Cc1cccc(CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)c1,CID5308147,0.0,,,0.0,,,,,,,,,,,,,
Cc1ccc(CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)cc1,CID5308319,0.0,,,,,,,,,,,,,,,,
Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCc1ccc(F)cc1,CID5308748,0.0,,,0.0,,,0.0,,,,,,,,,,
Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCc1cccc(F)c1,CID5308571,0.0,,,0.0,,,0.0,,,,,,,,,,
CC(Sc1nnc(Cn2c(=O)sc3ccccc32)n1C)c1ccccc1,CID5308969,0.0,,,0.0,,,,,,0.0,,,,,0.0,,
Cc1ccccc1CSc1nnc(Cn2c(=O)sc3ccccc32)n1C,CID5309140,0.0,,,,,,0.0,,,,,,,,,,
CC(C)OCCCN1CN(S(=O)(=O)c2ccc(Cl)cc2)c2nc3ccccc3nc21,CID2018067,,,,,,,,,0.0,,0.0,,,,,,
COCCN1CN(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21,CID664837,,0.0,,,,,,0.0,,,,,0.0,,,,
COCCN1CN(S(=O)(=O)c2ccc(Cl)cc2)c2nc3ccccc3nc21,CID1866326,,,,,,,,,0.0,0.0,0.0,,,,,,
CC(C)OCCCN1CN(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21,CID664320,,,,,,0.0,,,,,,,0.0,,,,
COCCCN1CN(S(=O)(=O)c2ccc(Cl)cc2)c2nc3ccccc3nc21,CID664229,0.0,,,,0.0,,,,0.0,,,,0.0,,0.0,,0.0
CC(C)OCCCN1CN(S(=O)(=O)c2cccc(Cl)c2)c2nc3ccccc3nc21,CID2021218,,,,,,,,,,,0.0,,,,,,
CCOCCCN1CN(S(=O)(=O)c2ccc(Cl)cc2)c2nc3ccccc3nc21,CID2032377,,,,,,,,,0.0,,0.0,,,,,,
COc1cccc(OC)c1OCCCN1CCOCC1,CID232613,,,0.0,,,0.0,0.0,,,,,,0.0,0.0,,0.0,0.0
Fc1ccccc1OCCCN1CCOCC1,CID2057877,,,0.0,,,,0.0,,,0.0,,,,,,,
Cc1ccc(OCCCN2CCOCC2)cc1,CID2202870,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C(C)C)c(OCC(O)CN2CCOCC2)c1,CID2769728,0.0,,,0.0,,,,,,,,,,,,,0.0
Cc1ccc(C(C)C)c(OCCCN2CC(C)OC(C)C2)c1,CID2923428,,,,,,,,,,,,,,,0.0,,
CCC(=O)c1ccc(OCC(O)CN2CCOCC2)cc1,CID98456,,,,,0.0,,,,,,,,0.0,,,,0.0
Brc1ccccc1OCCCN1CCOCC1,CID2057833,0.0,,,,,,,,,,0.0,,,,,0.0,
CSC1=C(C#N)C(c2ccc(C)s2)CC(=O)N1,CID659224,,0.0,0.0,,0.0,,0.0,,,,,,,,,,
CCOC(=O)CSC1=C(C#N)C(c2ccc(C)s2)CC(=O)N1,CID2854762,,,,,0.0,0.0,,,,0.0,,0.0,,0.0,0.0,,0.0
Cc1ccc(C2CC(=O)NC(SCC(N)=O)=C2C#N)s1,CID2855331,,,,,,,,,,,,,,0.0,0.0,,
CSC1=C(C#N)C(c2cccs2)CC(=O)N1C,CID2998663,,,0.0,,,,,,,0.0,,0.0,,,,,
COC(=O)CSC1=C(C#N)C(c2sccc2C)CC(=O)N1,CID2854755,,0.0,0.0,,,,0.0,,,,,,,,,,
CCOC(=O)CSC1=C(C#N)C(c2sccc2C)CC(=O)N1,CID3240136,,,,,0.0,0.0,,,,,,0.0,,,,,
CCSC1=C(C#N)C(c2ccc(C)s2)CC(=O)N1,CID2854923,,,0.0,,0.0,,0.0,,,0.0,,,0.0,,,,
CCN(CC)c1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(O)c1,CID5286481,,,,,,0.0,,,,,,,,,,,
C=CCN1C(=O)NC(=O)/C(=C/c2ccc(N(C)C)c(Br)c2)C1=O,CID1254683,,,,,,,,,,,,,,,0.0,,
CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc([N+](=O)[O-])c1O,CID5730513,,,,,,,,,,,,,,,0.0,,
C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(CC=C)C2=O)cc1OC,CID2262425,,,,,,0.0,,,,,,,,,,,
COCCN1C(=O)NC(=O)/C(=C\c2ccc(Br)cc2)C1=O,CID16195133,,,,,,,,,,,,,,,0.0,,
CCN(CC)CCCC(C)NC(=C1C(=O)N(C)C(=O)N(C)C1=O)c1ccccc1,CID5389020,,,,,,,,,,,,,,,0.0,,0.0
COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OC(C)C,CID2249671,,,,,,0.0,,,,,,,,,,,
COC(=O)C1=C(C)N(CC(C)C)C(=O)C1,CID744951,,,,,,,,,0.0,0.0,,,,,,,
CCOC(=O)C1=C(C)NC(=O)C1CC(=O)O,CID3142356,,,,,,,,,,,,,,,0.0,,
COC(=O)NC1(C(F)(F)F)C(=O)NC(C)=C1C(=O)OC,CID2965076,,,,,,,,,,,,,,,,,0.0
CCOC(=O)NC1(C(F)(F)F)C(=O)NC(C)=C1C#N,CID660905,,,,0.0,,,,,0.0,,,0.0,,,,,0.0
CC(=O)NC1(C(F)(F)F)C(=O)NC(C)=C1C#N,CID3237998,,,,0.0,,,,,0.0,,,,,,,,0.0
CCOC(=O)C1=C(C)N(C)C(=O)C1CC(=O)O,CID2925567,,,,,,0.0,,,,,,,,,,,
CCC(=O)NC1(C(F)(F)F)C(=O)NC(C)=C1C#N,CID3245115,,,,0.0,,,,,,,,0.0,,,,,
COc1ccc2[nH]c(=O)c(CN(Cc3cccs3)Cc3nnnn3C(C)(C)C)cc2c1,CID652007,0.0,,0.0,,,,,,,,,,,,0.0,,
CCOC(=O)Cn1nnnc1C(CC)N(Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O,CID649403,,,0.0,,,,,,,,0.0,,,,,0.0,
CCOC(=O)Cn1nnnc1C(CC)N(Cc1cccs1)Cc1cc2ccc(OC)cc2[nH]c1=O,CID645062,,,0.0,,,,,,,,,,,0.0,,0.0,
CCOc1ccc2[nH]c(=O)c(CN(Cc3cccs3)Cc3nnnn3C(C)(C)CC)cc2c1,CID651201,0.0,,0.0,,,,,,,,0.0,,,,,,
CCOc1ccc2[nH]c(=O)c(CN(Cc3cccs3)Cc3nnnn3C(C)(C)C)cc2c1,CID652788,0.0,,0.0,,,,0.0,,,,,,,,,0.0,
CCC(C)(C)n1nnnc1CN(Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O,CID646093,0.0,,0.0,,,,,,,0.0,0.0,,,0.0,,0.0,0.0
CCOC(=O)Cn1nnnc1CN(Cc1cccs1)Cc1cc2cc(C)cc(C)c2[nH]c1=O,CID1171162,,,,,,,,,,0.0,0.0,,,,,,
O=C(Cn1c(=O)sc2ccccc21)Nc1ccccc1,CID705122,,,,,,,,,,,,0.0,,,,,
COc1ccccc1NC(=O)Cn1c(=O)sc2ccccc21,CID1081529,,,,,,,,,,,0.0,0.0,,,0.0,,
O=C(Cn1c(=O)sc2ccccc21)Nc1ccc(O)cc1,CID1081531,,,,,,,,,,,,,,,0.0,,
CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cn2c(=O)sc3ccccc32)cc1,CID655640,0.0,,,,0.0,,,,,0.0,0.0,,,,,0.0,
O=C(Cn1c(=O)sc2ccccc21)Nc1ccccc1C(=O)O,CID650227,,,0.0,,,,0.0,,0.0,,,0.0,0.0,0.0,,0.0,
COc1ccc(NC(=O)Cn2c(=O)sc3ccccc32)c(OC)c1,CID5307712,0.0,,,0.0,,0.0,,,,,0.0,,,,,,0.0
COc1ccc(NC(=O)Cn2c(=O)sc3ccccc32)cc1,CID752444,,,,,,,,,,,0.0,,,,,,
COc1ccc(C(=O)NCC(=O)n2nc(C)cc2C)cc1OC,CID658857,,0.0,,,,,,,0.0,,,,,,,,
COc1cc(C(=O)NCC(=O)n2nc(C)cc2C)cc(OC)c1OC,CID658941,,,0.0,,,,,,,,,,,,,,
Cc1cc(C)n(C(=O)CNC(=O)c2ccccc2Cl)n1,CID709878,,,,,,0.0,,,,,,,,,,,
COc1ccccc1C(=O)NCC(=O)n1nc(C)cc1C,CID658803,,,,,,,,0.0,,,,,,,0.0,,
COc1cccc(C(=O)NCC(=O)n2nc(C)cc2C)c1,CID658976,,,0.0,0.0,,,,,,,,,,,,,
Cc1nn(C(=O)CNC(=O)c2ccccc2)c(C)c1C,CID753832,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)n(C(=O)CNC(=O)c2ccc(F)cc2)n1,CID745022,,,,,,0.0,,,,,,,,,,,
COc1c2occc2cc2ccc(=O)oc12,CID4114,,,,,,,,0.0,,,,,,,,,
CCc1cc(=O)oc2cc3oc(C)c(C)c3cc12,CID707698,,,,,,,,,0.0,,,,,0.0,,,
CC(=O)Oc1c2occc2cc2ccc(=O)oc12,CID100617,,,0.0,,,,0.0,0.0,0.0,,,,0.0,,,,
CCCc1cc(=O)oc2cc3oc(C)c(C)c3cc12,CID707701,,,,,,,,,0.0,,0.0,,,,,0.0,
CCCc1cc(=O)oc2cc3occ(C)c3cc12,CID854704,,,,,,,,,0.0,,0.0,,,0.0,,0.0,
CCCc1cc(=O)oc2c(C)c3occ(C)c3cc12,CID707782,,,0.0,,,,,,0.0,,0.0,,0.0,0.0,,,0.0
CC(C)=CCOc1c2occc2cc2ccc(=O)oc12,CID10212,,,,,,,,,,,,,,0.0,,,
Cc1csc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)n1,CID2679333,0.0,0.0,0.0,0.0,0.0,0.0,0.0,,0.0,0.0,0.0,,,0.0,,,
Cc1csc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)n1,CID2094935,0.0,0.0,,,0.0,,,,0.0,0.0,0.0,,0.0,,,,
O=C(Nc1nccs1)c1cccc(S(=O)(=O)N2CCCCC2)c1,CID1101752,0.0,,0.0,0.0,0.0,,0.0,,,,,,0.0,,0.0,,
O=C(Nc1nccs1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1,CID1101757,,,,,,,,,0.0,,,,0.0,0.0,0.0,,
Cc1ccc(C(=O)Nc2nccs2)cc1S(=O)(=O)N1CCCCC1,CID1107123,0.0,,0.0,,0.0,,,,0.0,0.0,,,,,,,
O=C(Nc1nccs1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl,CID1102162,,,0.0,,,,,,,,,,,,,,
CC1CCN(S(=O)(=O)c2cccc(C(=O)Nc3nccs3)c2)CC1,CID1310128,,0.0,,0.0,0.0,,0.0,,0.0,0.0,,,0.0,0.0,,,0.0
NC(=O)c1ccccc1NC(=O)CCN1C(=O)c2ccccc2C1=O,CID717589,,,,,,,,,,,,,,0.0,,,
CCc1ccccc1NC(=O)CCN1C(=O)c2ccccc2C1=O,CID708416,,,,,,0.0,,,,,,,,0.0,,,
CCOc1ccccc1NC(=O)CCN1C(=O)c2ccccc2C1=O,CID708418,,,,,,0.0,,,,,,,,,,,
O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc(F)cc1,CID749961,,,,0.0,,,,,,,0.0,,0.0,,,,0.0
O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc(F)cc1F,CID973422,,,,,,,,,,,,,,,,,0.0
COc1ccc(NC(=O)CCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c(OC)c1,CID1329317,,,,,,,,,,,,,,,0.0,,
COc1cccc(NC(=O)CCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1,CID1305474,,,,,,,,,,,,,,,0.0,,
Cc1nc2c(C(=O)NCCC(C)C)c[nH]n2c(=O)c1Cc1ccccc1F,CID9551082,,,,,,,,,0.0,,,,,,,,
Cc1nc2c(C#N)c(C)[nH]n2c(=O)c1Cc1ccccc1,CID754782,,,,,,,,,,,,,,0.0,,,
Cc1nc2c(C#N)c[nH]n2c(=O)c1Cc1ccccc1,CID754780,,,,,,,,,,,,0.0,,,,,
Cc1cc2nc(C)c(Cc3ccccc3)c(=O)n2[nH]1,CID753105,,0.0,,0.0,,,0.0,0.0,,,,0.0,,,0.0,0.0,
CNC(=O)c1c[nH]n2c(=O)c(Cc3ccccc3F)c(C)nc12,CID4062440,,0.0,,,,,,,,,,,,,,,
COC(=O)c1c[nH]n2c(=O)c(Cc3ccc(F)cc3Cl)c(C)nc12,CID3237493,,,,,,,,,,,,,0.0,,0.0,0.0,0.0
COC(=O)c1c[nH]n2c(=O)c(Cc3ccc(F)cc3)c(C)nc12,CID3236603,,,,,,0.0,0.0,,,,,,0.0,,,,
O=C(Cn1cnc2ccccc2c1=O)c1ccc(Cl)cc1,CID738366,,,,,,,,,,,,,,0.0,,,
O=C(Cn1cnc2ccccc2c1=O)c1ccc(Br)cc1,CID738367,,,,,,,,,,,,,,,0.0,,
O=C(Cn1cnc2ccccc2c1=O)c1ccccc1,CID738365,,,,,,,,,,,,0.0,,,,,
CC(C(=O)c1ccccc1)n1cnc2ccccc2c1=O,CID2953193,,,,,,,,0.0,,0.0,0.0,,0.0,,,,
Cc1cc(C)c(C(=O)Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)cc1C,CID2124708,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C(=O)Cn2cnc3ccccc3c2=O)cc1,CID854618,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C(=O)Cn2cnc3ccccc3c2=O)cc1C,CID932622,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(OCC)c(NC(=O)CN(C)S(=O)(=O)c2cnc[nH]2)c1,CID3236865,,,0.0,0.0,,,,,0.0,,,,,,,,0.0
COc1ccc(C)cc1NC(=O)CN(C)S(=O)(=O)c1cnc[nH]1,CID9551089,,,,,,,,,,,0.0,,,,,,
CCOC(=O)c1cccc(NC(=O)CN(C)S(=O)(=O)c2cnc[nH]2)c1,CID3244958,,,,0.0,,,,0.0,,,,,,0.0,0.0,,0.0
Cc1cc(C)cc(NC(=O)CN(C)S(=O)(=O)c2cnc[nH]2)c1,CID3238319,,0.0,,0.0,,,,,0.0,,,0.0,0.0,,0.0,0.0,
Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2cnc[nH]2)c1,CID3238708,,0.0,,0.0,,,,,,,,0.0,,,,,0.0
Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2cnc[nH]2)cc1C,CID3242948,,0.0,0.0,0.0,,0.0,0.0,,0.0,,,,,,,0.0,
CCc1cccc(NC(=O)CN(C)S(=O)(=O)c2cnc[nH]2)c1,CID3237469,,0.0,0.0,0.0,,,,0.0,0.0,,,0.0,,,,,
O=C(c1ccc(Cl)s1)N1CCCC1,CID1247382,,,,,,,,,,0.0,,,,0.0,,,
O=C(O)C1CCCN1C(=O)c1cccs1,CID2740713,,,0.0,,,,0.0,,,,,0.0,,,,,
CCc1ccc(C(=O)N2CCCC2)s1,CID1246054,,,,,0.0,,,,,0.0,,,0.0,,,,
CC(C)(O)C#Cc1ccc(C(=O)N2CCCC2C(=O)O)s1,CID2965196,,,,,,,,,0.0,,,0.0,0.0,0.0,,0.0,
O=C(c1ccc(Br)s1)N1CCCC1,CID1246561,,,,,,,,,0.0,,,,,0.0,,,
CCOC(=O)c1c(N)sc(C(=O)N2CCCC2)c1C,CID655008,,0.0,0.0,,0.0,,,,,,,,0.0,,,0.0,
COC(=O)C1CCCN1C(=O)c1cccs1,CID531389,,,,,,,0.0,,0.0,,,,,,,,
Cc1cc(C)n(/N=C/c2ccccc2)c(=O)c1C#N,CID268105,0.0,0.0,,0.0,,,0.0,,,0.0,,,,,,,
COc1ccc(/C=N/n2c(C)cc(C)c(C(N)=O)c2=O)cc1,CID789712,,,,,,,,,0.0,,,0.0,,,,,
Cc1cc(C)n(/N=C/c2cccc([N+](=O)[O-])c2)c(=O)c1,CID703665,,,,,,,,,,,,,,,0.0,,
Cc1ccc(/C=N/n2c(C)cc(C)c(C#N)c2=O)cc1,CID698562,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)n(/N=C/c2cccc(O)c2)c(=O)c1C(N)=O,CID789709,0.0,0.0,,,,,,,,,,,,,,,
CSc1ccc(/C=N/n2c(C)cc(C)cc2=O)cc1,CID884710,,,0.0,,,0.0,,,,,,,,,,,0.0
CCN(CC)c1ccc(/C=N/n2c(C)cc(C)cc2=O)cc1,CID676029,,,,,,0.0,0.0,,,,,,,,0.0,0.0,
C=C(C)Cn1c(=O)c2c(nc3n2CCN3c2cccc(Cl)c2C)n(C)c1=O,CID666617,0.0,,0.0,,,,0.0,,,,,,,,,,
C=CCn1c(=O)c2c(nc3n2CCN3c2cccc(Cl)c2C)n(C)c1=O,CID667153,0.0,0.0,0.0,0.0,,0.0,,,,,0.0,,,,,,
COCCn1c(=O)c2c(nc3n2CCN3c2ccc(C)cc2)n(C)c1=O,CID3239687,,,,,,,,,,0.0,,,,,,,
CCOCCn1c(=O)c2c(nc3n2CCN3c2ccccc2)n(C)c1=O,CID3241241,,0.0,,,,,,,,,,,,,,,
CCOCCn1c(=O)c2c(nc3n2CCN3c2ccc(CC)cc2)n(C)c1=O,CID3240309,0.0,,,,,,,,,,,,,,,,
CCOC(=O)Cn1c(=O)c2c(nc3n2CCN3c2ccc(C)cc2)n(C)c1=O,CID650466,0.0,,,,,,0.0,0.0,,,0.0,,,,,,
CCOCCn1c(=O)c2c(nc3n2CCN3c2ccc(C)cc2)n(C)c1=O,CID3236226,,0.0,,,,,,,,,,,,,,,
COc1ccccc1Cn1c(=S)[nH]c2cc(C(=O)N3CCN(C)CC3)ccc2c1=O,CID3244827,,,0.0,,,,,,,,,,,,,,0.0
CCOC(=O)N1CCN(C(=O)c2ccc3c(=O)n(Cc4ccc(OC)cc4)c(=S)[nH]c3c2)CC1,CID3240352,,,,0.0,0.0,,,,,,0.0,,0.0,,,,0.0
CCOC(=O)N1CCN(C(=O)c2ccc3c(=O)n(Cc4ccc(Cl)cc4)c(=S)[nH]c3c2)CC1,CID3244209,,0.0,0.0,,0.0,0.0,,0.0,,,,,,,,,0.0
CCOC(=O)N1CCN(C(=O)c2ccc3c(=O)n(Cc4ccccc4)c(=S)[nH]c3c2)CC1,CID3243888,,,,,,,,0.0,,,,,,,,,
CCN1CCN(C(=O)c2ccc3c(=O)n(Cc4ccccc4OC)c(=S)[nH]c3c2)CC1,CID3243368,,,,,,,,0.0,,,,,,,,,0.0
CN1CCN(C(=O)c2ccc3c(=O)n(Cc4ccc(Cl)cc4)c(=S)[nH]c3c2)CC1,CID3243445,,,0.0,,0.0,0.0,,,,,,,,,,0.0,0.0
CCOC(=O)N1CCN(C(=O)c2ccc3c(=O)n(Cc4ccccc4OC)c(=S)[nH]c3c2)CC1,CID4342738,,,,,,,,,0.0,,,,,,,,
COc1cccc(C(c2nnnn2Cc2ccc(F)cc2)N2CCC(C(N)=O)CC2)c1OC,CID655410,,,,0.0,,,,,,,,,,,,,
CC1CCN(C(c2ccc(N(C)C)cc2)c2nnnn2Cc2ccc(F)cc2)CC1,CID647235,,,,,,0.0,,,,,,,,,,,
COc1ccc(Cn2nnnc2C(c2ccccc2OC)N2CCC(C(N)=O)CC2)cc1,CID656301,,,,,,,,,,,,,,,,,0.0
COc1ccc(OC)c(C(c2nnnn2Cc2ccccc2)N2CCC(C(N)=O)CC2)c1,CID654515,,,,,,,,,,,,,,,,0.0,
COc1ccc(Cn2nnnc2C(c2ccc(N(C)C)cc2)N2CCC(C)CC2)cc1,CID651853,,,0.0,,,0.0,,,,,,,,,,,0.0
CC1CCN(C(c2ccc(N(C)C)cc2)c2nnnn2Cc2ccccc2)CC1,CID645773,,,,,,,,,,,,,,,0.0,,
COc1ccc(Cn2nnnc2C(c2cc(OC)ccc2OC)N2CCC(C(N)=O)CC2)cc1,CID646742,,,0.0,,,,,,,0.0,,,0.0,,,,
Cc1ccc(NCc2nnc(SCC(=O)c3ccccc3)o2)c(C)c1,CID648971,0.0,,,,0.0,0.0,0.0,,,,,,,,,,0.0
Cc1ccc(C(=O)CSc2nnc(CNc3ccc(C)cc3C)o2)cc1,CID647237,0.0,,0.0,,0.0,,,,,,,,,0.0,,0.0,0.0
CCOc1cc(C(=O)CSc2nnc(CNc3ccc(Cl)cc3)o2)ccc1NC(=O)CC,CID644459,,0.0,,,,,,,0.0,,,0.0,0.0,,,,0.0
COc1ccc(C(=O)CSc2nnc(CNc3ccc(C)cc3C)o2)cc1,CID655507,0.0,0.0,0.0,,0.0,,0.0,0.0,,,,,,,,0.0,0.0
CCC(=O)Nc1ccc(C(=O)CSc2nnc(CNc3ccc(Cl)cc3)o2)cc1OC,CID647111,0.0,0.0,,0.0,0.0,0.0,,,0.0,,,0.0,,,,,0.0
COc1ccc(C(=O)CSc2nnc(CNc3ccc(F)cc3)o2)cc1,CID1164148,,,,,,,,,,,,,,0.0,,,
COc1ccc(NCc2nnc(SCC(=O)c3ccc(OC)cc3)o2)cc1,CID1170157,,,,,,,,,,,0.0,,,,,,
Cc1cccc(OCCN2C(=O)c3ccccc3C2=O)c1,CID973136,,,,,,,,,,,,,,,0.0,,
Cc1ccccc1OCCN1C(=O)c2ccccc2C1=O,CID802241,,,,,,,,,,,,,,0.0,,,
N#Cc1ccccc1OCCN1C(=O)c2ccccc2C1=O,CID934406,,,,,,,0.0,,,,,,0.0,,,,
Cc1ccc(OCCN2C(=O)c3ccccc3C2=O)c([N+](=O)[O-])c1,CID824082,,,,,,,,,,,,,,,0.0,,
Cc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1,CID972604,,,,,,,,,0.0,,0.0,,,,,,
O=C1c2ccccc2C(=O)N1CCOc1ccccc1,CID807212,,,,,,,,,0.0,,0.0,,,,,,
Cc1ccc(OCCN2C(=O)c3ccccc3C2=O)c(C)c1,CID803160,,0.0,0.0,,,,,0.0,0.0,,,,0.0,,0.0,,
Oc1c(Cl)cc(Cl)cc1CN1CCN(Cc2ccccc2)CC1,CID1376190,0.0,,,,,,,,,,,,0.0,,,,
COc1ccc(O)c(CN2CCN(Cc3ccccc3OC)CC2)c1,CID773088,,,,,,0.0,,,,,,,,,,,
CCc1ccc(CN2CCN(Cc3cc(Br)ccc3O)CC2)cc1,CID1371695,,,,,,,,,,,,,,0.0,,,
CC(C)(O)C#Cc1ccc(CN2CCN(Cc3ccccc3)C(CCO)C2)cc1,CID16189136,,,,,,,,,,,,,,,0.0,,
COC(=O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1,CID781964,0.0,,,,0.0,0.0,,0.0,0.0,,,0.0,,,,,
OCCC1CN(Cc2ccc(C(F)(F)F)cc2)CCN1Cc1ccccc1,CID16191128,,,,,,,,,,,,,,0.0,,,
COc1ccc(CN2CCN(Cc3ccccc3)CC2)c(OC)c1,CID792721,0.0,,0.0,0.0,,,,,,,,,,,,,
CCOC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1,CID678008,,,,,,,,,,,,0.0,,0.0,,,
Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)O)cc12,CID2329100,,,,,,,,0.0,,,,0.0,,,,,
COC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1,CID652252,,,0.0,,,0.0,0.0,0.0,,,,,,,0.0,,0.0
CNC(=O)COC(=O)c1cc2c(C)nn(-c3ccc(F)cc3)c2s1,CID2102767,,,,,,,,,,0.0,0.0,,,0.0,,,
Cc1nn(-c2ccccc2)c2sc(C(=O)O)cc12,CID802154,,0.0,,,,,,,,,,,0.0,,0.0,,
CCCCNC(=O)COC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1,CID2403583,0.0,,,,0.0,0.0,0.0,,,,,,,,,0.0,
Cc1ccc(-n2nc(C)c3cc(C(=O)O)sc32)cc1,CID674051,,,,,,,0.0,0.0,,,0.0,0.0,0.0,,0.0,,
Cc1ccc(C)c(NC(=O)CCN2CCOCC2)c1,CID739967,,,,,,,,0.0,,,,,,,,,
Cc1cccc(NC(=O)CCN2CCOCC2)c1,CID739956,,0.0,,0.0,,,0.0,,,,,,,,,,
Cc1cc(C)cc(NC(=O)CCN2CC(C)OC(C)C2)c1,CID647735,,,,0.0,,0.0,0.0,,,,,,,,0.0,,
O=C(CCN1CCOCC1)Nc1cccc(Br)c1,CID567841,0.0,,,,,,,,0.0,,,,,,,0.0,0.0
COc1ccc(OC)c(NC(=O)CCN2CC(C)OC(C)C2)c1,CID2901223,,,,,,,,0.0,,0.0,,,0.0,,,,
O=C(CCN1CCOCC1)Nc1ccccc1,CID2901601,,,,,,0.0,,,,0.0,,0.0,,,,,
Cc1ccc(C)c(NC(=O)CCN2CC(C)OC(C)C2)c1,CID3236824,,,,,,0.0,,0.0,,,,,,,,,
COc1ccc(C(C#N)N2CCCCCC2)cc1OC,CID650815,,,,,0.0,0.0,,0.0,0.0,,,,0.0,0.0,,0.0,
CCN(CC)c1ccc(CN2CCCCCC2)cc1,CID782733,,,,,,0.0,,,,,,,,,,,
Nc1ccc(CN2CCCCCC2)cc1,CID1084713,,,,,,,,,,0.0,,0.0,,,,,
Fc1ccc(CN2CCCCCC2)c(F)c1,CID791424,,,,0.0,,,,,,,,,,,,,
COc1ccc(CN2CCCCCC2)c(C)c1C,CID764947,,,,,,,0.0,,,0.0,0.0,,,,,,
CN(C)c1ccc(CN2CCCCCC2)cc1,CID792618,,,,,,,,0.0,,,,,,,,0.0,
FC(F)(F)c1cccc(CN2CCCCCC2)c1,CID785763,,,,0.0,,,,,,,,,,,,,
CC(C)c1nnc(NC(=O)C2CCCCC2)s1,CID847063,,0.0,,0.0,,,,0.0,,,,,,,,0.0,
Cc1nnc(NC(=O)C2CCCCC2)s1,CID3100928,,0.0,0.0,0.0,,,,,,0.0,,,,0.0,,,0.0
CSc1nnc(NC(=O)C2CCCCC2)s1,CID4623945,0.0,0.0,,0.0,0.0,,,,,,0.0,,,,,,
COCCSc1nnc(NC(=O)C2CCCCC2)s1,CID648418,0.0,,,0.0,0.0,,,,0.0,0.0,,,0.0,0.0,,,0.0
CCc1nnc(NC(=O)C2CCCCC2)s1,CID702129,,,,0.0,,,,,,0.0,,,,,0.0,0.0,0.0
CCSc1nnc(NC(=O)C2CCCCC2)s1,CID739612,0.0,0.0,,0.0,0.0,,,,,0.0,,,0.0,0.0,,0.0,
CCSc1nnc(NC(=O)C2CCCCC2C(=O)OCC(F)(F)C(F)F)s1,CID3242265,,,,,0.0,,0.0,,,,,,,,,,
CC(C)C(NC(=O)c1ccccc1)C(=O)NC1=NCCS1,CID2942103,,,,0.0,0.0,,,0.0,0.0,,0.0,,,,,,
COc1ccc(C(=O)NCC(=O)NC2=NCCS2)cc1,CID891782,,0.0,,,0.0,,0.0,0.0,,,0.0,,0.0,,,,
CC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)NC1=NCCS1,CID2936573,,0.0,0.0,,,,,,,,,,,,,,0.0
CC(NC(=O)c1ccc(Cl)cc1)C(=O)NC1=NCCS1,CID3245252,,0.0,,,,,,,,,,,,,,,
CC(NC(=O)c1ccccc1)C(=O)NC1=NCCS1,CID3246749,,0.0,,,0.0,,,,,,,,,,,,0.0
CCN(CC)S(=O)(=O)c1cccc(C(=O)NC(C(=O)NC2=NCCS2)C(C)C)c1,CID3000175,,0.0,0.0,,,,,,0.0,,,0.0,,,,0.0,
CC(C)C(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NC1=NCCS1,CID2936726,,,,,,,,,,,0.0,,,,0.0,,
CCOC(=O)c1cc(-c2ccc(/C=N/n3cnnc3)o2)ccc1Cl,CID654550,0.0,,0.0,,0.0,,0.0,,,,,,0.0,,,0.0,
Cc1cc(-c2ccc(/C=N/n3cnnc3)o2)c([N+](=O)[O-])cc1C,CID1240575,,,,,,,,,,,,0.0,,,0.0,,
Clc1cccc(-c2ccc(/C=N/n3cnnc3)o2)c1,CID685139,,0.0,0.0,,,,,,,,,,,,,,0.0
O=[N+]([O-])c1ccccc1-c1ccc(/C=N/n2cnnc2)o1,CID604712,,,,,,0.0,,,,,,,,,0.0,,
Cc1ccc(-c2ccc(/C=N/n3cnnc3)o2)cc1Cl,CID876196,0.0,,0.0,,,,0.0,,,,0.0,,0.0,,,,
Clc1ccccc1-c1ccc(/C=N/n2cnnc2)o1,CID886577,0.0,,0.0,,,,0.0,,,,,,,,,,
CC(C)COC(=O)c1cc(-c2ccc(/C=N/n3cnnc3)o2)ccc1Cl,CID1293728,0.0,,,,0.0,,,,,,,0.0,,,,,
COc1ccc(N2C(=O)CCC2(C#N)c2ccc(Br)cc2)cc1,CID3622373,,,,,,,,,,,0.0,,,,,,
CCCCNC(=O)C1CC(=O)N(c2ccc(OC)cc2)C1c1ccc(OC)cc1,CID9550656,,,,,,0.0,,,,,,0.0,,0.0,,,
CCCN(CCC)CCNC(=O)C1CC(=O)N(c2ccc(OC)cc2)C1c1ccc(OC)cc1,CID9550318,,,,,,,,,,,0.0,,,,,,
CCN(CC)C(=O)C1CC(=O)N(c2ccc(OC)cc2)C1c1ccc(OC)cc1,CID9550549,,,,,,,,,,,,,,,0.0,,
COc1ccc(N2C(=O)CCC2(C(N)=O)c2ccccc2)cc1,CID2908928,,,,,,,,,,,,,,,0.0,,
COc1ccc(C2C(C(=O)O)CC(=O)N2c2ccc(OC)cc2)cc1,CID3244527,,,,,,,0.0,,,,,,,,,,
COc1ccccc1N1C(=O)CCC1(C#N)c1ccccc1,CID2909972,,,,,,,0.0,0.0,,,,,,,,,
COc1cccc(NC(=O)c2ncn[nH]2)c1,CID741074,,,,0.0,,,,0.0,0.0,,,0.0,0.0,0.0,0.0,,
Cc1ccc(C)c(NC(=O)c2ncn[nH]2)c1,CID741078,,,,,,,,,,,,0.0,,,,,
COc1cc(NC(=O)c2ncn[nH]2)cc(OC)c1OC,CID715139,,,,0.0,,,,,,,,,,,,,0.0
COc1ccc(NC(=O)c2ncn[nH]2)cc1,CID757848,,,,,,0.0,,,0.0,,,0.0,,,0.0,,
O=C(Nc1ccc(O)cc1)c1ncn[nH]1,CID794995,,,,,,,,,,0.0,,0.0,,,,,
O=C(Nc1ccccc1C(=O)O)c1ncn[nH]1,CID741085,,0.0,,,,,,0.0,,,,,,,,,
CCC(C)c1ccc(O)c(NC(=O)c2ncn[nH]2)c1,CID2942113,,0.0,,,,,0.0,0.0,,,,,0.0,,,0.0,0.0
CCOC(=O)CSc1nc(-c2ccccc2)nc2ccc(C)cc12,CID1446344,,,,,,,,,,,,,,0.0,,,
COc1cccc(-c2nc(OC(C)C)c3ccccc3n2)c1,CID946943,,,,,,0.0,,,,,,,,,,,
OCCSc1nc(-c2ccccc2)nc2ccc(F)cc12,CID3167738,,,,,,,,,,,,,,,0.0,,
CCOC(=O)CSc1nc(-c2ccccc2)nc2ccccc12,CID865072,,,,,,,,,,,,,,0.0,,,
COC(=O)CNc1nc(-c2ccccc2F)nc2ccccc12,CID3237155,,,,,,,,0.0,,,,,0.0,,,,
CC(C)Nc1nc(-c2ccc(Cl)cc2)nc2ccccc12,CID710957,,,,,,0.0,,,,,,,,,,,
CC(C)Nc1nc(-c2ccccc2Cl)nc2ccccc12,CID710955,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC=C2C(=O)c3ccccc3C2=O)cc1,CID805060,,,,,,,,,,0.0,,,,,,,
COc1ccc(NC=C2C(=O)c3ccccc3C2=O)c(OC)c1,CID807603,,,,,,,,,,0.0,,,,,0.0,,
O=C1C(=CNc2ccccc2O)C(=O)c2ccccc21,CID3241704,,,0.0,0.0,0.0,,,0.0,,,,,,,,,0.0
COc1cc(NC=C2C(=O)c3ccccc3C2=O)cc(OC)c1,CID750135,,,,,,,,,,,,,,,0.0,,
COc1ccc(NC(C)=C2C(=O)c3ccccc3C2=O)cc1,CID879788,,,,,,,,,,,,,,,0.0,,
O=C1C(=CNc2ccccc2)C(=O)c2ccccc21,CID217228,,,,,,,,,0.0,0.0,,,,,,,
Cc1ccc(O)c(NC=C2C(=O)c3ccccc3C2=O)c1,CID790501,,,,,0.0,,0.0,0.0,,0.0,0.0,,,,,,0.0
O=C(NCCN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1ccc(Br)cc1,CID5308335,0.0,,,,,,,,,,,,,,,0.0,
COc1ccccc1NC(=O)NCCN1C(=O)C2C3C=CC(C3)C2C1=O,CID5308536,,,,,,,,0.0,,,,,0.0,,,,
Cc1cccc(NC(=O)NCCN2C(=O)C3C4C=CC(C4)C3C2=O)c1,CID5308182,,,,,,,,,,0.0,,0.0,,,,0.0,
Cc1ccc(NC(=O)NCCN2C(=O)C3C4C=CC(C4)C3C2=O)cc1,CID5307564,,,,,,,,0.0,,,,,,,,0.0,
O=C(NCCN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1ccccc1,CID5307221,,0.0,,,,,,,,,,,,,,,
COc1ccc(NC(=O)NCCN2C(=O)C3C4C=CC(C4)C3C2=O)cc1,CID5307980,,,,,,,0.0,,,0.0,,,0.0,,,,
O=C(NCCN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1ccccc1O,CID5308870,,,,,,,,,0.0,,,,,,,,
COc1ccccc1-c1nnc(Nc2nc3c(OC)cccc3s2)o1,CID3235799,0.0,0.0,,0.0,0.0,,0.0,0.0,,,,,0.0,,,0.0,0.0
Fc1cccc2sc(Nc3nnc(-c4ccccc4)o3)nc12,CID3243386,,,,,0.0,,,,0.0,,,,,,0.0,,0.0
COc1cccc2sc(Nc3nnc(-c4ccccc4Cl)o3)nc12,CID5310555,,,,,,,,,,,,,,,,0.0,
COc1ccc(-c2nnc(Nc3nc4c(OC)cccc4s3)o2)cc1,CID3236395,,,0.0,0.0,0.0,0.0,0.0,,,,,,,,,,0.0
COc1cc(OC)cc(-c2nnc(Nc3nc4c(F)cccc4s3)o2)c1,CID3240046,0.0,0.0,0.0,,0.0,0.0,,,,,,,,,,0.0,
COc1cccc(-c2nnc(Nc3nc4c(F)cccc4s3)o2)c1,CID3242011,0.0,,0.0,,0.0,,,,,0.0,,,,,,0.0,
COc1ccc(-c2nnc(Nc3nc4c(OC)cccc4s3)o2)c(OC)c1,CID3237187,0.0,,,,0.0,,,,,,0.0,,,,,0.0,
CCCC(=O)Nc1c2c(nn1-c1ccc(C)cc1C)CSC2,CID3242279,0.0,0.0,,,,,,0.0,,,,,0.0,,,,
CC(=O)Nc1c2c(nn1-c1ccc(C)cc1C)CSC2,CID3241230,,0.0,,0.0,,,,0.0,,0.0,,,,,,0.0,
CCC(=O)Nc1c2c(nn1-c1ccccc1C)CSC2,CID3238449,,0.0,,,,,,0.0,,,,,0.0,,,,0.0
CCC(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CSC2,CID5019436,0.0,0.0,0.0,,0.0,,,,,,,,,,,,
Cc1ccc(-n2nc3c(c2NC(=O)C(C)(C)C)CSC3)c(C)c1,CID3242981,,,0.0,0.0,,,,0.0,,,,,,0.0,,,
CC(C)CC(=O)Nc1c2c(nn1-c1ccc(F)cc1)CSC2,CID5222682,,,,,,,,,,,,,,,,0.0,
CCC(=O)Nc1c2c(nn1-c1ccc(C)cc1C)CSC2,CID3239151,,0.0,,0.0,,,0.0,,,,0.0,,0.0,,,,0.0
CCCCc1nnc(NC(=O)C(C)Sc2nc(=O)cc(C)[nH]2)s1,CID2959585,,,,,,,,,0.0,0.0,0.0,,,,,,
Cc1cc(=O)nc(SCC(=O)Nc2nnc(CC(C)C)s2)[nH]1,CID2165014,0.0,0.0,0.0,0.0,,,0.0,,0.0,,,,,,0.0,0.0,
CCOC(=O)Cc1nnc(NC(=O)C(CC)Sc2nc(=O)cc(C)[nH]2)s1,CID4315814,,0.0,,,,,,,,,,,,,,0.0,
CCCCc1nnc(NC(=O)CSc2nc(=O)cc(C)[nH]2)s1,CID2215798,,,,,,,,,0.0,0.0,,,,,,,
C=CCSc1nnc(NC(=O)CSc2nc(=O)cc(CCC)[nH]2)s1,CID2968154,,,,,0.0,,,,0.0,,,0.0,,,0.0,,
CC(C)Cc1nnc(NC(=O)CSc2nc(=O)cc(N)[nH]2)s1,CID2165091,,,,,,,,,0.0,0.0,,,,,,,
CCC(Sc1nc(=O)cc(C)[nH]1)C(=O)Nc1nnc(C)s1,CID2946748,0.0,0.0,,0.0,,,0.0,,0.0,0.0,,,,,,0.0,
Cc1ccc(C(=O)CSc2ccccn2)cc1,CID650306,,,,,0.0,,,,,,,,0.0,,0.0,,0.0
COc1ccccc1C(=O)CSc1ccccn1,CID2426475,,,,,,,,,,,,,,,0.0,,
Cc1ccnc(SCC(=O)c2ccc(Br)cc2)c1C#N,CID854216,,,,,,,,,,,,,,0.0,,,
O=C(CSc1ccccn1)c1ccc(F)cc1,CID868034,,,,0.0,,0.0,,,,0.0,,,,,,,
O=C(CSc1ncccc1C(=O)O)c1ccccc1F,CID2436893,,,,,,,,,,,,,,0.0,0.0,,
Cc1cc(C)c(C(=O)CSc2nc(C)cc(C)c2C(N)=O)c(C)c1,CID2385910,,,,,,,,,,,,,,,0.0,,
O=C(CSc1ncccc1C(=O)O)c1ccccc1,CID2046224,,,,0.0,,,,,0.0,,,0.0,,0.0,,0.0,
COCCOC(=O)CC1=NC(=O)CS1,CID665839,,,,,,,,,,,,,,0.0,,,
CCCCC(=O)NC1=NC(=O)C(C)(C)S1,CID2212387,,,0.0,0.0,0.0,,0.0,,,,,,,,0.0,,
CC(=O)NC1=NC(=O)C(C)S1,CID4681728,,,,,,,,,,0.0,,,,,,,
CCOC(=O)CSC1=NC(=O)CS1,CID1561922,,,0.0,,,,,,,,,,,,,0.0,
CCOC(=O)CC1=NC(=O)CS1,CID658099,,,,,,,0.0,,,,,,,,,,
CC(=O)NC1=NC(=O)CS1,CID539709,,,,,0.0,,,,,,,,,,,,
CC(C)OC(=O)CC1=NC(=O)CS1,CID657997,,,0.0,,0.0,,,,,,,,,,,,
COc1cc(OC)cc(C(=O)Nc2ccccc2C(=O)N2CCCC2)c1,CID1085672,,,,,,0.0,,,0.0,0.0,,,,0.0,,,
O=C(Nc1ccc(Cl)cc1C(=O)N1CCCC1)c1cccc([N+](=O)[O-])c1,CID1313581,,,,,,,,,,,,,,0.0,,,
COc1ccccc1C(=O)Nc1ccccc1C(=O)N1CCCC1,CID975302,,,,,,,0.0,,0.0,,,,,0.0,,,0.0
O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccccc1,CID791687,,,,,,0.0,,,,0.0,0.0,0.0,,,,,
COc1cccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)c1,CID892732,,,,,,,,,,0.0,,0.0,,0.0,,,
CN(c1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1)S(C)(=O)=O,CID1306824,,0.0,0.0,0.0,0.0,,0.0,,,,,,,,,0.0,
CS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1,CID1243581,,,,0.0,0.0,,,,0.0,0.0,,,,0.0,,0.0,0.0
CCCCN(C(=O)CNC(=O)c1ccco1)C(C(=O)NC1CCCCC1)c1ccc(OC)cc1OC,CID645339,,,0.0,,,,,,0.0,,0.0,0.0,,,,,
C=CCN(C(=O)CNC(=O)c1ccco1)C(C(=O)NC1CCCCC1)c1ccccc1,CID650817,,,0.0,,0.0,,,,0.0,,,0.0,,,,,0.0
C=CCN(C(=O)CNC(=O)c1ccco1)C(C(=O)NC1CCCCC1)c1ccc(OC)cc1,CID3211816,,,,,,,,,0.0,,,0.0,,,,,
C=CCN(C(=O)CNC(=O)c1ccco1)C(C(=O)NC1CCCCC1)c1ccc(OC)cc1OC,CID653808,,,0.0,,,,,,0.0,,,,,,,,
C=CCN(C(=O)CNC(=O)c1ccco1)C(C(=O)NC1CCCCC1)c1ccccc1F,CID645979,,,,,,,0.0,0.0,,,,,,,,0.0,
COCCN(C(=O)CNC(=O)c1ccco1)C(C(=O)NC1CCCCC1)c1cccc(OC)c1,CID648843,,,0.0,,,,,,,,,,,0.0,,,
CCOC(=O)CN(C(=O)CNC(=O)c1ccco1)C(C(=O)NC1CCCCC1)c1cccc(OC)c1,CID644689,,,,,,,,0.0,0.0,,,,,,,,
COC(=O)C1=NC2=NC3=C(C(=O)CCC3)C(c3ccccc3OC)N2N1,CID5771334,,,0.0,,,,,,,,,,,,,,
COC(=O)C1=NC2=NC3=C(C(=O)CC(C)(C)C3)C(c3cccc(Cl)c3)N2N1,CID5307797,0.0,0.0,0.0,0.0,,,,,,,,,,,,0.0,
COC(=O)C1=NC2=NC3=C(C(=O)CCC3)C(c3ccc(OC)c(OC)c3OC)N2N1,CID5771266,,,,,,,,,,,,,,,,0.0,
CC1CC(=O)C2=C(C1)N=C1N=CNN1C2c1ccccc1,CID5390088,,,,,,,,,,,,,,,,,0.0
CCSC1=NC2=NC3=C(C(=O)CCC3)C(c3cccc(F)c3)N2N1,CID5390048,,,,,,,,,,,,0.0,,,,,
CCOc1ccc(C2C3=C(CCCC3=O)N=C3N=C(C(F)(F)F)NN32)cc1OC,CID5771287,,,,,,,0.0,,,,,,,,,,
COC(=O)C1=NC2=NC3=C(C(=O)CCC3)C(c3cccc(Cl)c3)N2N1,CID5307256,0.0,0.0,,,,,,,,,,,0.0,,,0.0,
CC(C)c1ccc(S(=O)(=O)N2CCN(CCC(=O)Nc3ccc(N(C)C)cc3)CC2)cc1,CID3241036,0.0,0.0,,,,,,,,,,,,,,,
CCOc1ccc(NC(=O)CCN2CCN(S(=O)(=O)c3cc(Cl)ccc3OC)CC2)cc1,CID3238060,0.0,,,0.0,0.0,,,,,,,0.0,0.0,,,,
COc1ccc(S(=O)(=O)N2CCN(CCC(=O)Nc3ccccc3F)CC2)cc1,CID3674701,,,,,,,,,,,0.0,,,,,,
CCOc1ccc(NC(=O)CCN2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1,CID9550798,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC(=O)CCN2CCN(S(=O)(=O)c3cc(Cl)ccc3OC)CC2)cc1,CID3236122,0.0,,0.0,0.0,0.0,,,,0.0,,,0.0,,,,,
CCOc1ccccc1NC(=O)CCN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1,CID3239555,0.0,,,,,,,,0.0,,,,,,,0.0,0.0
CCOc1ccccc1NC(=O)CCN1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1,CID3245222,,,,,0.0,,,0.0,,,,,,,,,
COc1ccc(S(=O)(=O)n2nc(OC(=O)c3ccccc3Br)cc2N)cc1,CID3240579,,,,,,,,,,,0.0,,,,,0.0,
Cc1ccc(C(=O)Oc2cc(N)n(S(=O)(=O)c3ccc(C)cc3)n2)cc1,CID4325481,,,,,,,,,,,,,,,0.0,,
COc1ccc(S(=O)(=O)n2nc(OC(=O)c3ccc(C)cc3)cc2N)cc1,CID646749,,,,0.0,0.0,,,0.0,,,0.0,,,0.0,,,
Nc1cc(OC(=O)c2ccccc2Br)nn1S(=O)(=O)c1ccccc1,CID3242592,0.0,,,,,,0.0,,0.0,,0.0,,,,,,0.0
COc1ccc(S(=O)(=O)n2nc(OC(=O)c3ccccc3)cc2N)cc1,CID655490,,,,,0.0,0.0,,,0.0,,0.0,,,0.0,,0.0,
COc1cccc(C(=O)Oc2cc(N)n(S(=O)(=O)c3ccc(C)cc3)n2)c1OC,CID3236830,,,,,0.0,,,0.0,0.0,,,,0.0,,1.0,,0.0
COc1ccccc1C(=O)Oc1cc(N)n(S(=O)(=O)c2ccc(C)cc2)n1,CID3244315,,,,0.0,0.0,,,,,,,0.0,,,,,0.0
O=C1O/C(=C\c2ccccc2)c2ccccc21,CID642371,,,,,,,,,,,,,,0.0,,,
Cc1ccc(/C=C2\OC(=O)c3ccccc32)cc1,CID678302,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1/C=C1\OC(=O)c2ccccc21,CID678304,,,,,,,,,,,,,,0.0,,,
CCc1ccc(/C(=C2/OC(=O)c3ccccc32)[N+](=O)[O-])cc1,CID793623,,,,,,0.0,,,,,,,,,,,
COc1cc(/C=C2/OC(=O)c3cc([N+](=O)[O-])ccc32)cc(OC)c1OC,CID1811826,,,,,,,,,,0.0,,,,,,,
O=C(O)/C(=C1/OC(=O)c2ccccc21)c1ccccc1,CID832834,,,,,,,,0.0,0.0,,0.0,,,0.0,,,
O=C(O)/C(=C1\OC(=O)c2ccccc21)c1ccccc1,CID832832,,,,,,,,,0.0,0.0,0.0,,,,,,
COc1ccc(C(=O)NCCSCc2ccccc2C)cc1,CID2176879,,,,,,0.0,,,,,,0.0,,,,,
CN(c1ccc(C(=O)NCCSCc2c(F)cccc2Cl)cc1)S(C)(=O)=O,CID2198015,,,,,,,,,,,,,,0.0,,,
Cc1ccc(CSCCNC(=O)c2ccccc2)cc1,CID2289178,,,,,,,,,,,,,,,0.0,,
Cc1ccc(CSCCNC(=O)c2cccc([N+](=O)[O-])c2)cc1,CID2282231,,,,,,,,,,,,,,0.0,,,
Cc1c(C(=O)NCCSCc2ccccc2)cccc1[N+](=O)[O-],CID2280657,,,,,,,,,,,,,,0.0,,,
CS(=O)(=O)Nc1ccccc1C(=O)NCCSCc1ccccc1,CID2229235,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)NCCSCc2ccc(C)cc2)cc1,CID2897065,,,,,,0.0,,,,,,,,,,,
COc1cc2[nH]c(=O)n(-c3ccc(C)cc3)c(=O)c2cc1OC,CID718445,,,,,,0.0,,,0.0,0.0,0.0,,,,,,
COc1ccc(-n2c(=O)[nH]c3ccccc3c2=O)c(OC)c1,CID3240110,,,0.0,,,,,0.0,,0.0,,,,,,0.0,0.0
COc1ccc(-n2c(=O)[nH]c3ccccc3c2=O)cc1,CID327475,,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1ccc(-n2c(=O)[nH]c3ccccc3c2=O)cc1,CID661705,,,0.0,,,,,0.0,0.0,,,,0.0,,,0.0,
O=c1[nH]c2ccccc2c(=O)n1-c1cccc(Cl)c1,CID659914,0.0,,,,,,0.0,,,,,,,,,,0.0
COc1cc2[nH]c(=O)n(-c3cccc(Cl)c3)c(=O)c2cc1OC,CID659534,0.0,,0.0,0.0,,,,,,0.0,,0.0,,,,,
COc1cc2[nH]c(=O)n(-c3ccccc3)c(=O)c2cc1OC,CID874396,,,0.0,,,,0.0,0.0,,0.0,0.0,0.0,0.0,,,0.0,
CCC1c2ccc(C)n2CCN1C(=O)Nc1cc(Cl)ccc1OC,CID3240882,0.0,,,0.0,,,,,,0.0,,,,,,0.0,0.0
CCC1c2ccc(C)n2CCN1C(=O)Nc1ccc(F)cc1,CID3245661,,,0.0,0.0,,,,,,,0.0,,,,,,
CCC1c2ccc(C)n2CCN1C(=O)Nc1ccccc1C(=O)OC,CID3237097,,,0.0,,0.0,,,,0.0,0.0,0.0,,0.0,,,,
CCCC1c2ccc(C)n2CCN1C(=O)Nc1ccccc1Cl,CID3241969,0.0,0.0,0.0,,,,0.0,,,0.0,,,,,,,0.0
CCOC(=O)c1ccccc1NC(=O)N1CCn2c(C)ccc2C1CC,CID3241563,,,,,0.0,,,,,,,0.0,,,,,
CCC1c2ccc(C)n2CCN1C(=O)Nc1ccccc1OC,CID3243781,,,,,,,,0.0,,,,,,,,,
CCCC1c2ccc(C)n2CCN1C(=O)Nc1ccc(F)cc1,CID3243792,,,0.0,,,0.0,,,,,,0.0,,,,,
CCOC(=O)c1ccc(NS(=O)(=O)c2cc(-c3nnnn3C(C)C)ccc2OC)cc1,CID660389,,,,,,,,0.0,0.0,,,,,,0.0,0.0,
CCOC(=O)c1ccc(NS(=O)(=O)c2cc(-c3nnnn3CC)ccc2OC)cc1,CID979768,,0.0,,,,,,0.0,0.0,,0.0,,,,,,
CCCCOC(=O)c1ccc(NS(=O)(=O)c2cc(-c3nnnn3CC)ccc2OC)cc1,CID1907373,,,,,,,,0.0,0.0,,,,0.0,,,0.0,0.0
CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)Nc2ccc(OC)cc2)c1,CID1236748,,,,,,,,,,,,,,,,0.0,0.0
CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)Nc2ccc(C(=O)OC)cc2)c1,CID1316509,,,,,,,,,,,,0.0,,,,0.0,
COc1ccc(NS(=O)(=O)c2cc(-c3nnnn3C)ccc2OC)cc1,CID1204214,,,,,,,,,,,,,,,,0.0,0.0
CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1,CID1204212,,,,,,,,,,,0.0,,,,,,
COc1ccccc1N1CCN(c2nc3ccccc3nc2C(C#N)C(=O)OC(C)C)CC1,CID660380,,,,,,,,,,,,0.0,,,,,0.0
C=CCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(c2ccccc2OC)CC1,CID660709,0.0,,,,,,,,,,,,,,,,
COc1ccc(N2CCN(c3cnc4ccccc4n3)CC2)cc1,CID2764806,,,,,,,,,,,,,,,0.0,,
C=CCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(c2ccccc2OCC)CC1,CID660828,0.0,,,,,,,,,0.0,0.0,,,,0.0,,
CCOc1ccccc1N1CCN(c2nc3ccccc3nc2C(C#N)C(=O)OC)CC1,CID660620,0.0,0.0,,,,,,,,,,0.0,,,0.0,,
CCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(c2ccccc2F)CC1,CID661610,,,0.0,,,,,,,,,,,,,,
CCOc1ccccc1N1CCN(c2nc3ccccc3nc2C(C#N)C(=O)OC(C)C)CC1,CID660558,0.0,,,,,,,,,,0.0,,,,,,
Cn1nnnc1SCc1ccc([N+](=O)[O-])cc1,CID861458,,,,,,,,,,,,,,0.0,,,
Cn1nnnc1SCc1ccccc1F,CID656320,,,,0.0,,,,,,,0.0,,0.0,,,,
Cn1nnnc1SCc1c(F)cccc1F,CID581253,,0.0,,,0.0,,0.0,,,,,,,,,,
COc1ccc(CSc2nnnn2C)cc1[N+](=O)[O-],CID692001,,,,,,,,,,,,0.0,,,,,
COc1ccc(CSc2nnnn2C)cc1F,CID587511,,0.0,0.0,,,,,,,,,,,,,0.0,
Cn1nnnc1SCc1ccc(F)cc1,CID2266188,,,,0.0,,,,,,,,0.0,,,,,
Cc1ccc(CSc2nnnn2C)cc1,CID647032,,0.0,,,,,,,,,,,0.0,,,,
CS(=O)(=O)N1CCN(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])o2)CC1,CID1254473,,,,,,,,,,,,,,0.0,,,
CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(Br)o2)CC1,CID1242143,,,,,,,,,0.0,,0.0,,,,,0.0,0.0
CS(=O)(=O)N1CCN(c2ccccc2NC(=O)c2ccco2)CC1,CID834491,,,,,,0.0,,,,,,,,0.0,,,
CCN1CCN(c2c(Cl)cccc2NC(=O)c2ccco2)CC1,CID935206,0.0,0.0,0.0,,,,0.0,,0.0,,0.0,,0.0,,0.0,0.0,0.0
CN1CCN(c2ccccc2NC(=O)c2ccc(Br)o2)CC1,CID2222160,,,,,,,,,0.0,,0.0,0.0,,,,0.0,0.0
CS(=O)(=O)N1CCN(c2ccccc2NC(=O)c2ccc(Br)o2)CC1,CID979832,,,,,,,,,,,,,,0.0,0.0,,
CCN1CCN(c2c(Cl)cccc2NC(=O)c2ccc(Br)o2)CC1,CID979869,,,,,,,0.0,,,,,,,,,0.0,
CN(C#N)c1nc(N2CCOCC2)nc(N2CCOCC2)n1,CID714956,,,,0.0,,,,,,,,,,,,,
CC(C)N(C#N)c1nc(N2CCOCC2)nc(N2CCOCC2)n1,CID714962,,0.0,,0.0,,,0.0,,,,,,,,,,
N#CCOc1nc(N2CCOCC2)nc(N2CCOCC2)n1,CID644599,,0.0,0.0,,,,,,,,,,0.0,,,,
CC(C)CCCNc1nc(N2CCOCC2)nc(N2CCOCC2)n1,CID3605435,,0.0,,,,,,,,,,,,,,,0.0
NC(=O)c1nc(N2CCOCC2)nc(N2CCOCC2)n1,CID977017,,,,0.0,,,,,,,,,,,,,
CCCNc1nc(N2CCOCC2)nc(N2CCOCC2)n1,CID2057546,,0.0,,,,,,,,,,,,,,,
CC(C)CN(C#N)c1nc(N2CCOCC2)nc(N2CCOCC2)n1,CID715190,,0.0,,,,,,,,,,,,,,,
Cc1ccc(N2CC(C(=O)NC3=NCCS3)CC2=O)cc1,CID651491,,0.0,,,0.0,,,,,,,,0.0,,,,
O=C(NC1=NCCS1)C1CC(=O)N(c2ccccc2)C1,CID647039,,0.0,,,0.0,,,,,,,,,,,,
CCc1ccc(N2CC(C(=O)NC3=NCCS3)CC2=O)cc1,CID654546,,0.0,,0.0,0.0,,0.0,,,,0.0,,,,,,
O=C(NC1=NCCS1)C1CC(=O)N(c2ccc(Cl)cc2)C1,CID3155567,,,,,,,,,,,,,,,0.0,,
O=C(NC1=NCCS1)C1CC(=O)N(c2ccc(F)cc2)C1,CID3155569,,,,,,,,,,,,,,,0.0,,
Cc1ccc(N2CC(C(=O)NC3=NCCS3)CC2=O)cc1C,CID2947710,,,0.0,0.0,0.0,,,0.0,,,0.0,,,,,,
COc1ccc(N2CC(C(=O)NC3=NCCS3)CC2=O)cc1,CID3155568,,,,,,,,,,,,,,,0.0,,
CN(C)c1ccc(/C=N/c2ccc(N(C)C)cc2)cc1,CID307157,,,,,,,,,,,,,,,0.0,0.0,
CN(C)c1ccc(/C=N/c2ccccc2C(N)=O)cc1,CID794863,,,,,,,0.0,0.0,,,,,,,,,
Cc1ccc(/N=C/c2ccc(N(C)C)cc2)cc1,CID915196,,,,,,,,,,,0.0,,,,,,
Cc1ccc(/C=N/c2ccccc2C(N)=O)cc1,CID794384,,,,,,0.0,,,,,,,,,,,
Cc1cccc(/C=N/c2ccccc2C(N)=O)c1,CID794217,,,,,,,,,,0.0,,,,,,,
ON/C(=N\c1ccc(Cl)cc1)c1ccccc1,CID5100198,,,,,,,,,,,,,,0.0,,,
NC(=O)c1ccccc1/N=C/c1ccccc1,CID794805,,,,,,0.0,,,,0.0,,0.0,,,,,
COc1ccc(-n2c(=O)c3c4c(sc3n3cnnc23)CC(C)CC4)cc1,CID2909321,0.0,0.0,,,,,,,,,0.0,,,,,0.0,
COc1ccc(-n2c(=O)c3c4c(sc3n3c(C)nnc23)CC(C)CC4)cc1,CID659221,0.0,,,,,,,,,,,,,,,,
CCSc1nnc2n(-c3ccc(OC)cc3)c(=O)c3c4c(sc3n12)CCCC4,CID1361981,,,,,,,,,,,0.0,,,,,,
Cc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)CC(C)CC4,CID659223,,,0.0,0.0,,,0.0,,,,,0.0,,,,,
COC(=O)C(C)Sc1nnc2n(-c3cccc(C)c3)c(=O)c3c4c(sc3n12)CCCC4,CID3802283,,,,,,,0.0,,,,,,,,,,
Cc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)CCCC4,CID658598,0.0,0.0,,,,,0.0,0.0,,,,,0.0,,,0.0,
COc1ccc(-n2c(=O)c3c4c(sc3n3c(C)nnc23)CCCC4)cc1,CID1212190,0.0,,,0.0,,,0.0,0.0,,,,,0.0,,,0.0,
Cc1ccccc1OCc1nc(-c2cccnc2)no1,CID874555,,,,,,,,,,,,,,,0.0,,
Cc1ccc(OCc2nc(-c3cccnc3)no2)cc1C,CID783729,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C)c(OCc2nc(-c3cccnc3)no2)c1,CID845251,0.0,0.0,,0.0,,0.0,0.0,0.0,,,,,,,0.0,,
Cc1cc(OCc2nc(-c3cccnc3)no2)c(C)cc1Br,CID1255446,0.0,,,,,,0.0,,0.0,,0.0,0.0,,,,,
Cc1cc(Br)ccc1OCc1nc(-c2cccnc2)no1,CID753475,,,,,,,0.0,,0.0,,0.0,0.0,,,0.0,0.0,
Cc1cc(C)c(C)c(OCc2nc(-c3cccnc3)no2)c1,CID887434,0.0,,,0.0,,,0.0,0.0,,,,,,,,,
Cc1cc(C)cc(OCc2nc(-c3cccnc3)no2)c1,CID868157,,,,,,,,,,,,,,0.0,,,
COc1ccc(Cc2nc(C(=O)Nc3ccccc3)cs2)cc1,CID1472611,,,,,,,,,,,0.0,,,,,,
COc1ccc(Cc2nc(C(=O)Nc3ccc(F)cc3)cs2)cc1,CID1472610,,,,,,,,,,0.0,,0.0,,,,,
COc1ccc(Cc2nc(C(=O)Nc3ccc(Cl)cc3)cs2)cc1,CID1472601,,,,,,,,,0.0,0.0,,,,,,,
COc1ccc(Cc2nc(C(=O)Nc3ccc(OC)cc3)cs2)cc1,CID1472598,,,,,,,,,,0.0,0.0,,,0.0,,,
COc1ccc(NC(=O)c2csc(Cc3ccc(Cl)cc3)n2)cc1,CID1472599,,,,,,,,,,,,,,0.0,,,
COc1ccc(NC(=O)c2csc(Cc3ccccc3)n2)cc1,CID1491567,,,,,,,,,,,,0.0,,0.0,,,
O=C(Nc1ccc(Cl)cc1)c1csc(Cc2ccccc2)n1,CID1472600,,,,,,,,,,,,,,0.0,0.0,,
O=[N+]([O-])c1ccc(Cc2nnc(-c3ccccc3Cl)o2)cc1,CID16193644,,,,,,,,,,,,,,,0.0,,
c1ccc(Cc2nnc(-c3ccccc3)o2)cc1,CID800230,,,,,,,0.0,,,0.0,,,,,,0.0,
Clc1ccc(Cc2nnc(-c3ccccc3Br)o2)cc1,CID5307641,0.0,,,,,,,,,,,,,,,0.0,
Cc1ccc(-c2nnc(Cc3ccc(Cl)cc3)o2)cc1,CID9550793,,,,,,0.0,,,,,,,,,,,
COc1ccc(Cc2nnc(-c3ccc(F)cc3)o2)cc1OC,CID9550792,,,,,,,,,,0.0,,,,,,,
COc1ccc(Cc2nnc(-c3cccc(C)c3)o2)cc1OC,CID5307133,0.0,,0.0,0.0,,,,0.0,,0.0,,,,,,,
OC(c1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1,CID2999089,,,,,,,0.0,,,0.0,,,,,,0.0,0.0
Cc1nn(C)c(C)c1/C=C1/SC(=S)NC1=O,CID1236046,,,,,,,,,,,,,,0.0,,,
CCN1C(=O)/C(=C/c2cnn(C)c2C)SC1=S,CID1768069,,,,,,,,,,,,,,0.0,,,
Cc1nn(C)cc1/C=C1\SC(=S)NC1=O,CID1235243,,,,,,,,,,,,,,0.0,0.0,,
CCN1C(=O)/C(=C/c2cnn(CC)c2C)SC1=S,CID1233738,,,,,,,,,,,,,,,0.0,,
CCN1C(=O)/C(=C/c2cn(C)nc2C)SC1=S,CID1767445,,,,,,,,,,,,,,0.0,0.0,,
CCN1C(=O)/C(=C/c2c(C)nn(C)c2C)SC1=S,CID1767375,,,,,,,,,,,,,,0.0,0.0,,
CCn1ncc(/C=C2/SC(=S)NC2=O)c1C,CID1236050,,,,,,,,,,,,,,,0.0,,
Cc1nc2ccccc2n1C(=O)c1ccc([N+](=O)[O-])cc1,CID781314,,,,,,0.0,,,,,,,,,,,
CCN(CC)c1ccc(C(=O)n2cnc3ccccc32)cc1,CID783634,0.0,0.0,,,,0.0,,,,,,,,,,0.0,
Cc1nc2ccccc2n1C(=O)c1ccc(Cl)cc1[N+](=O)[O-],CID874549,,,,,,,,,,,,,,0.0,,,
CC(=O)Nc1ccc(C(=O)n2cnc3cc(C)c(C)cc32)cc1,CID743801,,,,,,0.0,,,0.0,,0.0,0.0,,0.0,0.0,,
COc1ccc(C(=O)n2cnc3cc(C)c(C)cc32)cc1[N+](=O)[O-],CID718168,,,,,,0.0,,,,,,,,,,,
Cc1cc2ncn(C(=O)c3cc([N+](=O)[O-])ccc3Cl)c2cc1C,CID2886412,,,,,,0.0,,,,,,,,,,,
O=C(c1ccccc1[N+](=O)[O-])n1cnc2ccccc21,CID749165,,,,,,,,,,,,,,0.0,,,
O=C(O)c1cc(-c2ccco2)nn1-c1cccc(Cl)c1,CID812108,,,,,,,,,,,,,,0.0,,,
Cc1ccc(-c2nn(-c3ccccc3)cc2CO)o1,CID882619,,,,,,,,,,,,0.0,,,,,
CC(C)OC(=O)c1cn(-c2ccccc2)nc1-c1ccco1,CID2200688,,,,,,,,,,,,,,,0.0,,
N#Cc1cn(-c2ccccc2)nc1-c1ccco1,CID977044,,,,,,,,,0.0,,,,,,0.0,,
CC(C)NC(=O)c1cc(-c2ccco2)nn1-c1ccc(Cl)cc1,CID2382321,,,,,,0.0,,,,,,,,0.0,,,
O=C(O)c1cc(-c2ccco2)nn1-c1ccc(Cl)cc1,CID812103,,,,,,,,,,,,,,0.0,,,
OCc1cn(-c2ccccc2)nc1-c1ccco1,CID877185,,,,,,,,,,0.0,,0.0,,,,,
COc1cc(CN2CCN(C(=O)COc3ccccc3)CC2)cc(OC)c1OC,CID1112897,,,,,,,,,0.0,,,,,,,,
CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1,CID2954987,,0.0,,,0.0,,,,,,0.0,,,,,0.0,0.0
COc1ccccc1CN1CCN(C(=O)COc2ccccc2)CC1,CID712556,,,0.0,,,,0.0,0.0,,,,0.0,,,,,
CC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)c(Cl)c1,CID2967513,0.0,,0.0,,0.0,,,,,0.0,,0.0,0.0,,,,0.0
Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)N1CCN(Cc2ccccc2)CC1,CID2969253,,,0.0,,0.0,,,0.0,,,,,,,,,
CC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1,CID2942645,,0.0,,0.0,0.0,,,,,,,,,,,,0.0
O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1,CID752941,0.0,,0.0,,,0.0,,,,,,0.0,,,,0.0,
CCOc1ccc(CC(=O)NCCc2ccccc2)cc1,CID882356,,,,,,,,,,0.0,0.0,,,,,,
CCCN(CCC)c1ccc(CC(=O)NC(C)Cc2ccccc2)cc1,CID39794,,,,,,,,,,,,,,,0.0,,
COc1ccccc1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1,CID884161,,,0.0,,0.0,,0.0,0.0,,,0.0,,,,,0.0,
CCOc1ccc(CCNC(=O)C(O)c2ccccc2)cc1,CID657665,0.0,,,,,0.0,,0.0,,0.0,0.0,,,,,,0.0
COc1ccc(CCNC(=O)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])cc1OC,CID271292,,,,,,,,,,,,,,,0.0,,
O=C(Cc1ccccc1)NCCc1cccc(Cl)c1,CID844859,,,,,,,,,,,,0.0,,0.0,,,
CCN(CC)c1ccc(CC(=O)NC(C)Cc2ccccc2)cc1,CID205676,,,,,,0.0,,,,,,,,,,,
CCN(CC)CCCNC(=O)Cn1cc2c(n1)CCC(C)C2,CID5309109,,,,,,,0.0,0.0,,,,,,,,,
CCC(C)NC(=O)Cn1cc2c(n1)CCC(C)C2,CID5308018,,,,,,,,,,,,,0.0,,,,
CCOCCCNC(=O)Cn1cc2c(n1)CCCC2,CID5308149,,,,,,,,0.0,,,,,,,,,
O=C(O)Cn1cc2c(n1)CCCC2,CID3235997,,0.0,,,,,,0.0,,,,,,,,,
COCCNC(=O)Cn1cc2c(n1)CCC(C)C2,CID5307153,,,,,,,,,,,,,0.0,,,,
CNc1c2c(nn1C)CCCC2,CID28446,,,,,,,,,,,,0.0,,,0.0,,
CCCSCCCNC(=O)Cn1cc2c(n1)CCC(C)C2,CID5309215,,,,,,,,,,,,,,,,,0.0
COc1ccccc1Oc1ccc2c(c1)C(=O)N(c1cccc(O)c1)C2=O,CID1316078,,,,,,0.0,,0.0,,0.0,0.0,,0.0,,,,
COc1ccccc1Oc1ccc2c(c1)C(=O)N(c1ccc(C)cc1)C2=O,CID1334628,,,,,,0.0,,,,,,,,0.0,,,
CC(C)(C)C(=O)Nc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)cc1,CID1331763,,,,,,,,,,0.0,,,,,,,
COc1ccccc1Oc1ccc2c(c1)C(=O)N(c1ccc(O)cc1)C2=O,CID661368,,,,,,,,,0.0,0.0,,,,0.0,,,
COc1ccccc1Oc1ccc2c(c1)C(=O)N(c1ccccc1)C2=O,CID962111,,,,,,,,,0.0,,,,,,,,
COC(=O)c1cccc(N2C(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3C2=O)c1,CID1000281,,,,,,0.0,,,,,,,,,,,
CCC(=O)Nc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)cc1,CID1107366,,,,,,,,,0.0,0.0,,,,,,,
O=C(N/N=C/c1ccncc1)c1ccccc1[N+](=O)[O-],CID770677,,,,,,,,,,,,,,0.0,,,
O=C(N/N=C/c1ccncc1)c1ccccc1,CID310118,,,,,,0.0,,,,,,,,,,,
C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1)c1ccncc1,CID871371,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1C(=O)N/N=C/c1ccncc1,CID902988,,,,,,0.0,,,,,,,,,0.0,,
O=C(N/N=C/c1ccncc1)c1cccc([N+](=O)[O-])c1,CID591342,,,,,,,,,,,,,,0.0,0.0,,
CC(=O)Nc1ccc(C(=O)N/N=C/c2ccncc2)cc1,CID771351,,,,,,,,,,,,,,0.0,,,
Cc1cccc(C(=O)N/N=C/c2ccncc2)c1,CID902902,,,,,,0.0,,,,,,,,,0.0,,
COc1ccccc1NC(=O)COC(=O)CNC(=O)c1ccc(OC)c(OC)c1,CID2116317,,0.0,,,0.0,,,0.0,,,,,,,0.0,,
COc1cc(NC(=O)COC(=O)CNC(=O)c2ccc(C)cc2)c(C)cc1[N+](=O)[O-],CID5036605,,,,,,,,,,,,,,0.0,,,
COc1ccc(Cl)cc1NC(=O)COC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1,CID2493982,,,,,,,,,,,,,,0.0,,,
CC(=O)Nc1ccc(NC(=O)COC(=O)C(NC(=O)c2ccc(F)cc2)C(C)C)cc1,CID2396569,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)NCC(=O)OCC(=O)Nc2cc(OC)ccc2OC)cc1,CID2355966,,,,,,,,,,,,,,0.0,,,
COc1cc(NC(=O)COC(=O)CNC(=O)c2ccc(Cl)cc2)c(C)cc1[N+](=O)[O-],CID3618235,,,,,,,,,,,,,,0.0,,,
CCN(CC)S(=O)(=O)c1cccc(C(=O)NC(C(=O)OCC(=O)Nc2ccccc2)C(C)C)c1,CID9552018,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1cnc(-n2cc(C)cn2)nc1Nc1ccccc1OCC,CID662894,0.0,0.0,0.0,,,,0.0,,,,0.0,0.0,0.0,,,,0.0
CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1Nc1cccc(C(C)=O)c1,CID662363,0.0,,,0.0,,,,0.0,,,,0.0,,,,,
CCOc1ccc(Nc2cc(C)nc(-n3nc(C)cc3C)n2)cc1,CID658308,,0.0,,,,,,,,,,,,,,,
COc1ccc(Nc2cc(C)nc(-n3nc(C)cc3C)n2)cc1,CID662572,0.0,0.0,,,,,,0.0,,,,,,,,,
CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1Nc1cccc(C(=O)O)c1,CID662434,,0.0,,,,,,,,,,0.0,,,,,
CCOC(=O)c1cnc(-n2cc(C)cn2)nc1Nc1ccccc1OC,CID662812,0.0,0.0,0.0,0.0,,,,,,,,,0.0,,,,
CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1Nc1ccc(N(C)C)cc1,CID662147,,,,,,,,0.0,,,,,,,,,
CC(=O)Nc1ccc(C2NC(=O)c3ccccc3O2)cc1,CID666402,0.0,,0.0,,,0.0,,0.0,0.0,,,,,,,,
COc1cc(C2NC(=O)c3ccccc3O2)cc(OC)c1OC,CID666258,0.0,,,,,,,,,0.0,,,,0.0,,0.0,
COc1ccc(C2NC(=O)c3ccccc3O2)cc1OC,CID2840670,,,,,,,,,,,0.0,,,,,,
COc1cccc(C2NC(=O)c3ccccc3O2)c1OC,CID667266,,,,0.0,,0.0,0.0,,,0.0,,,,,,0.0,
COc1ccc(C2NC(=O)c3ccccc3O2)c(OC)c1OC,CID667361,,,0.0,,,,,,,,,,,,,0.0,
CCOc1ccc(C2NC(=O)c3ccccc3O2)cc1,CID659333,,,0.0,,,0.0,,0.0,,,0.0,,,0.0,,0.0,0.0
O=C1NC(c2cccc([N+](=O)[O-])c2)Oc2ccccc21,CID3090990,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C(=O)Oc2ccc(/C=C3\SC(=S)NC3=O)cc2)cc1,CID2269811,,,,,,0.0,,,,,,,,,,,
Cc1cccc(C(=O)Oc2ccc(/C=C3/SC(=S)NC3=O)cc2)c1,CID2257375,,,,,,0.0,,,,,,,,,,,
CN1C(=O)/C(=C\c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)SC1=S,CID2251811,,,,,,0.0,,,,,,,,,,,
COc1cc(/C=C2/SC(=S)NC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1,CID1732695,,,,,,0.0,,,,,,,,,,,
C=CCN1C(=O)/C(=C\c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c(OC)c2)SC1=S,CID1721246,,,,,,0.0,,,,,,,,,,,
CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OC(=O)c1ccc(C)cc1,CID1205929,,,,,,0.0,,,,,,,,,,,
COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OC(=O)c1cccc(C)c1,CID1361941,,,,,,0.0,,,,,,,,,,,
CCOC(=O)N1CCN(C(=O)CSc2nnc(-c3ccccc3OC)o2)CC1,CID3239774,,,,,,,0.0,0.0,,,,,0.0,,,,
CCOC(=O)N1CCN(C(=O)CSc2nnc(-c3ccc(C)c(C)c3)o2)CC1,CID2155824,,0.0,,,,,0.0,0.0,,,0.0,,,,,0.0,0.0
CCOC(=O)N1CCN(C(=O)CSc2nnc(-c3cccc(OC)c3)o2)CC1,CID3242815,,,,,,0.0,,0.0,,0.0,,,,,,,
CCOC(=O)N1CCN(C(=O)CSc2nnc(-c3cccc(Cl)c3)o2)CC1,CID2155793,,0.0,,,0.0,,,,0.0,,,,,,,,
CCOC(=O)N1CCN(C(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)o2)CC1,CID5061790,,0.0,,,,,,,,,,,,,,0.0,
CCOC(=O)N1CCN(C(=O)CSc2nnc(-c3cc(OC)cc(OC)c3)o2)CC1,CID3241088,,,,,,,0.0,0.0,,,,0.0,,,,,0.0
CCOC(=O)N1CCN(C(=O)CSc2nnc(-c3cc(OC)ccc3OC)o2)CC1,CID3235895,,,,,,,,0.0,,,,,,,,,
COC1=C/C(=C2\NNC=C2C(=O)c2ccccc2C)C(=O)C=C1,CID5389167,,,0.0,,,0.0,,,,,0.0,,,,,,
COC1=C/C(=C2\NNC=C2C(=O)c2ccccc2)C(=O)C=C1,CID5389192,,0.0,0.0,,,0.0,,,,,,,,0.0,,,
Cc1ccc(C(=O)C2=CNN/C2=C2\C=CC=CC2=O)cc1,CID9551792,,,,,,,,,,,,0.0,,0.0,,,
O=C1C=CC=C/C1=C1/NNC=C1C(=O)c1ccccc1,CID5419784,,,,,,,,,,,0.0,,,,,,
COc1ccc(C(=O)C2=CNN/C2=C2\C=C(Cl)C=CC2=O)cc1,CID5732852,,,,,,,,,,0.0,,,,,,,
Cc1ccc(C(=O)C2=CNN/C2=C2\C=C(Cl)C=CC2=O)cc1,CID5389205,,,,,,0.0,,,,,0.0,,0.0,,,,
O=C1C=CC=C/C1=C1/NNC=C1C(=O)c1ccc(F)cc1,CID5389176,,,0.0,,,,,,,,,,,,,,
COc1ccc(N2CCN(c3ccc(N)cc3C#N)CC2)cc1,CID3236633,,,,,,,,,,,0.0,,,,,,
CCCCCC(=O)Nc1ccccc1N1CCN(c2ccccc2)CC1,CID650612,0.0,,,,,,,0.0,,,,0.0,,,,,
COC(=O)Nc1cc(C(F)(F)F)ccc1N1CCN(c2ccccc2)CC1,CID1253511,0.0,,,0.0,0.0,,,,,,,,,,,,0.0
O=C(O)/C=C\C(=O)Nc1ccc(N2CCN(c3cccc(Cl)c3)CC2)cc1,CID1820249,,,,,,,,,,,,,,0.0,,,
CC(=O)c1ccc(N2CCN(c3ccc(S(=O)(=O)NCCCN(C)C)cc3[N+](=O)[O-])CC2)cc1,CID4841613,,,,,,,,,,,,,,,0.0,,
Cc1cccc(N2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)c1C,CID4672662,,,,,,,,,,,,,,,0.0,,
NC(=O)c1ccc(N2CCN(c3ccccc3O)CC2)c([N+](=O)[O-])c1,CID4373559,,,,,,,,,,,,,,,0.0,,
CCOC(=O)Cc1nnc(Nc2cccc(C)c2)c2ccccc12,CID2887896,,,,,,,,,0.0,,,,,,,,
CCOC(=O)Cc1nnc(Nc2ccc(C)cc2)c2ccccc12,CID1386807,,,,,,,,,0.0,,0.0,,,0.0,,,
CNC(=O)c1cc(Nc2nnc(C)c3ccccc23)ccc1OC,CID1394690,,,,,,,,,,,,0.0,,,0.0,,
Cc1nnc(Nc2ccc(C(=O)NCCO)cc2)c2ccccc12,CID656150,,,,0.0,,,0.0,,,0.0,,,,,,0.0,0.0
CCOC(=O)Cc1nnc(Nc2cccc(O)c2)c2ccccc12,CID659332,0.0,0.0,0.0,,,,,,0.0,,,,,,,,
CNC(=O)c1ccc(Nc2nnc(C)c3ccccc23)cc1,CID626021,,,,,,,,,,,,0.0,,,,,
COc1ccc(Nc2nnc(C)c3ccccc23)cc1C(N)=O,CID659452,,0.0,,0.0,,,0.0,0.0,,,,,,,,,
C=CCNC(=S)N1CCC(C(=O)c2ccc(OC)cc2)CC1,CID3223600,,,,,,0.0,,,,,,,,,,,
CS(=O)(=O)N1CCC(C(=O)c2cccc(Cl)c2)CC1,CID647428,,,,0.0,,,,,,0.0,,,0.0,0.0,,,0.0
O=C(O)CCC(=O)N1CCC(C(=O)c2cccc(Cl)c2)CC1,CID655780,,0.0,0.0,,,,,,,,0.0,,,,,,0.0
CCS(=O)(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1,CID1438149,,,,,,,,,,0.0,,,,0.0,,,
CCCNC(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1,CID3223610,,,,,,,,,,0.0,,,,,,,
CC(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1,CID544682,,,,,,,,,,,,,,0.0,0.0,,
CCCS(=O)(=O)N1CCC(C(=O)c2cccc(C(F)(F)F)c2)CC1,CID647008,,,,,0.0,,,,,,,,,,,,0.0
COc1cc(C2C3C(=O)N(c4ccccc4)C(=O)C3ON2c2ccccc2)cc(OC)c1OC,CID664903,,,,,,,,0.0,,,,,,,,,
COc1ccccc1N1C(=O)C2ON(c3ccccc3)C(c3ccc(N(C)C)cc3)C2C1=O,CID661623,,0.0,,,0.0,,,,,,,,,,,,
CCOc1ccccc1C1C2C(=O)N(c3ccccc3)C(=O)C2ON1c1ccccc1,CID663748,,,,,,0.0,,,,,,,,,,,
CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)C(c4ccc(O)c(OC)c4)C3C2=O)cc1,CID662186,,,0.0,,,,,,,,0.0,,,,,,
O=C(O)c1ccc(N2C(=O)C3ON(c4ccccc4)C(c4ccccc4F)C3C2=O)cc1,CID665470,,,,,,,,,,,,,,,,0.0,
CN(C)c1ccc(C2C3C(=O)N(c4ccc(C(=O)O)cc4)C(=O)C3ON2c2ccccc2)cc1,CID661652,0.0,,,,,,,,0.0,,,,,,,,
COc1cc(C2C3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)ccc1O,CID661777,,,,,,,,,,0.0,,,,,,,
CC(C)N(C(=O)CSc1nnc(CNc2ccc(F)cc2)o1)C(C)C,CID1431905,,,,,,,,,,0.0,,,,,,,
N#CCSc1nnc(CNc2cccc(Cl)c2)o1,CID653233,0.0,0.0,0.0,0.0,0.0,,,,,0.0,,,,,,,0.0
CCN(CC)C(=O)CSc1nnc(CNc2ccc(F)cc2)o1,CID1155314,,,,,,,,,,0.0,,,,,,,
Cc1ccc(NCc2nnc(SCC#N)o2)c(C)c1,CID3167589,,,,,,,,,,,0.0,,,,,,
COC(=O)CSc1nnc(CNc2ccc(F)cc2)o1,CID651625,,,0.0,,,,0.0,0.0,,0.0,,,,,,0.0,
N#CCSc1nnc(CNc2ccc(F)cc2)o1,CID9549690,,,,,,,,,,,,,,,0.0,,
CCOC(=O)CSc1nnc(CNc2ccc(F)cc2)o1,CID652020,,0.0,,,,,0.0,,,0.0,,,,0.0,,0.0,
COC(=O)c1cn(CC(=O)NCc2ccco2)c2ccccc12,CID952055,,0.0,,,,,,,,0.0,0.0,,,,,,0.0
COC(=O)c1cn(C(C)C(=O)NCc2ccco2)c2ccccc12,CID646855,,,,,0.0,,0.0,,,,,,,,,0.0,0.0
N#Cc1ccc2ccn(CC(=O)NCc3ccco3)c2c1,CID2217887,,,,,,0.0,,,0.0,,,0.0,,,,,
CC(C)C(=O)c1cn(CC(=O)NCc2ccco2)c2ccccc12,CID955272,,,,,,,,,0.0,,,0.0,,,,,
CCc1cccc2c(C#N)cn(CC(=O)NCc3ccco3)c12,CID900747,0.0,0.0,,,0.0,,,,0.0,,,,0.0,,,0.0,
CCC(=O)c1cn(CC(=O)NCc2ccco2)c2ccccc12,CID955329,,,,,,,,,,0.0,,0.0,,,,,
CC(=O)c1cn(CC(=O)NCc2ccco2)c2ccccc12,CID951645,,,,,,,,,,0.0,,0.0,,,,,
CCSc1ccccc1C(=O)NCCCn1ccnc1,CID2954742,,0.0,0.0,,,,,,,0.0,0.0,,0.0,,,,
COCCSc1ccccc1C(=O)NCCCn1ccnc1,CID2963125,0.0,0.0,,0.0,,,,0.0,0.0,,,,,0.0,,0.0,
CCOc1ccccc1C(=O)NCCCn1ccnc1,CID2931168,,0.0,,0.0,,,0.0,,0.0,0.0,,,0.0,,,,
CCOc1ccc(C(=O)NCCCn2ccnc2)cc1,CID3246743,,0.0,0.0,,,,0.0,,,,,0.0,,,,,
CCCCC(=O)Nc1ccc(C(=O)NCCCn2ccnc2)cc1,CID2957684,,,,0.0,,,,0.0,,,,0.0,,,,0.0,
CCCOc1ccc(C(=O)NCCCn2ccnc2)cc1,CID3238852,,,0.0,,,,,,,0.0,0.0,,,,,0.0,
CCCC(=O)Nc1ccc(C(=O)NCCCn2ccnc2)cc1,CID2952929,,0.0,0.0,,,,0.0,,,,,0.0,0.0,,,0.0,
CC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)OCCO3)cc1,CID1083019,,0.0,,0.0,,,,0.0,,,,0.0,,,,,
O=C(COc1ccccc1Cl)Nc1ccc2c(c1)OCCO2,CID1571328,0.0,0.0,0.0,0.0,,,0.0,,,0.0,,,,,,,
Cc1cc(OCC(=O)Nc2ccc3c(c2)OCCO3)ccc1Cl,CID732522,0.0,0.0,,0.0,,,,,0.0,0.0,,,0.0,,,0.0,0.0
Cc1cccc(OCC(=O)Nc2ccc3c(c2)OCCO3)c1,CID732520,,,,,,,0.0,,,0.0,0.0,0.0,,,,0.0,
CC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)OCCO3)cc1,CID646484,,,,,,0.0,,,,,,,,,,,0.0
Cc1cc(OCC(=O)Nc2ccc3c(c2)OCCO3)cc(C)c1Cl,CID786457,,,,,,,,,,,0.0,,,0.0,,,
Cc1ccc(Cl)c(OCC(=O)Nc2ccc3c(c2)OCCO3)c1,CID2971003,0.0,0.0,0.0,0.0,,,0.0,,,0.0,,,,,,0.0,0.0
COC(=O)CSc1nnc2n1C(C)(C)Cc1ccccc1-2,CID650514,,,0.0,,,,0.0,,,,,,,,,,0.0
CCOC(=O)CSc1nnc2n1C(C)(C)Cc1ccccc1-2,CID647026,,,,,,,,0.0,,,,,,,,,
CCOC(=O)C(CC)Sc1nnc2n1C(C)(C)Cc1ccccc1-2,CID652833,,,,,,,,,0.0,,,,,,,,
CCOC(=O)C(C)Sc1nnc2n1C(C)(C)Cc1ccccc1-2,CID644840,,,,,,,0.0,,,,,,,,,,
COc1cc2c(cc1OC)-c1nncn1C(C)(C)C2,CID711929,,,,,,0.0,,0.0,,,,,,,,,0.0
CC(C)OC(=O)CSc1nnc2n1C(C)(C)Cc1ccccc1-2,CID650432,,,,,,0.0,0.0,,,,,,0.0,,,,
CCSc1nnc2n1C(C)(C)Cc1ccccc1-2,CID864026,,,,,,,,,,,,,,,0.0,,
CCSc1nnc(NC(=O)CSc2nc3c(c(=O)n2C)SC(C)C3)s1,CID3238169,,,,,0.0,,,,,,,,,,,,
CCSc1nnc(NC(=O)CSc2nc3c(c(=O)n2CC)SC(C)C3)s1,CID3236774,,,,,0.0,,,,,,,,,,,,
CCn1c(SCC(=O)Nc2nnc(C)s2)nc2c(c1=O)SC(C)C2,CID5098586,,0.0,,0.0,,,,,,,,,,,,,0.0
CCc1nnc(NC(=O)CSc2nc3c(c(=O)n2CC)SC(C)C3)s1,CID3250673,,,,,0.0,,,,,,,,,0.0,,,
CCSc1nnc(NC(=O)CSc2nc3c(c(=O)n2CCOC)SC(C)C3)s1,CID4672181,,,,,0.0,,,,,,,,,,,,
CCc1nnc(NC(=O)CSc2nc3c(c(=O)n2C)SC(C)C3)s1,CID4139499,,,,,0.0,,,,,,0.0,,,,,,
Cc1nnc(NC(=O)CSc2nc3c(c(=O)n2C)SC(C)C3)s1,CID4120883,,,,,0.0,,,,,,,,,,,,
Cc1cc(C(=O)CS(=O)(=O)c2ccc(F)cc2)cc(C)c1OC(=O)N(C)C,CID1488393,,,,,,,,,,,,,,,0.0,,
Cc1ccc(S(=O)(=O)CC(=O)c2ccccc2)cc1,CID97654,,,,,,0.0,,,,,,,,0.0,,,
CC(C)(C)c1ccc(C(=O)CS(=O)(=O)c2ccccc2)cc1,CID851314,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)CC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1,CID958587,,,,,,,,,,,,0.0,,0.0,0.0,,
CC(=O)Nc1ccc(C(=O)CS(=O)(=O)c2ccc(C)cc2)cc1,CID975327,,,,,,,,,0.0,,,0.0,,0.0,,0.0,
Cc1ccc(S(=O)(=O)CC(=O)c2cc(C)c(OC(=O)N(C)C)c(C)c2)cc1,CID1486621,,,,,,,,,,,,,,0.0,,,
Cc1cc(C(=O)CS(=O)(=O)c2ccccc2)cc(C)c1OC(=O)N(C)C,CID1486626,,,,,,,,,,,,,,0.0,,,
N#Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2,CID977088,,,0.0,0.0,,,,,,,,,,,,,
CC(C)OC(=O)c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2,CID1287424,,,,,,,,,0.0,0.0,,,,,,,
CN(C)C(=O)/C=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2,CID2177060,,,,,,,,,,,,,,0.0,,,
O/N=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2,CID2423822,,,,,,,,,,,,0.0,,0.0,,,
CCN(CC)C(=O)c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2,CID1287804,,,,,,,,,,,,,,0.0,,,
O=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2,CID977138,,,,,,,,,0.0,,,,,0.0,,,
OCc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2,CID2060907,0.0,,,,,,,0.0,,,,0.0,0.0,0.0,,,
Cc1cccc(NC(=O)Nc2cc(C)on2)c1,CID310650,,,,0.0,,,0.0,,,,0.0,0.0,0.0,,,,
Cc1cc(NC(=O)Nc2cccc(C(F)(F)F)c2)no1,CID978129,,,,,,,,,0.0,,,,,,,,0.0
CCOc1ccc(NC(=O)Nc2cc(C)on2)cc1,CID769329,,0.0,0.0,0.0,,,0.0,,,,,0.0,,,,,
CCOC(=O)c1ccc(NC(=O)Nc2cc(C)on2)cc1,CID972242,0.0,0.0,0.0,0.0,,,0.0,,0.0,,,0.0,,,,,0.0
Cc1cc(NC(=O)Nc2ccc(F)c(Cl)c2)no1,CID971773,0.0,,,,,,,,,,,0.0,,,,,
Cc1ccc(NC(=O)Nc2cc(C)on2)cc1,CID728587,,,,,,,,,,,,,,0.0,,,
Cc1cc(NC(=O)Nc2ccc(F)cc2)no1,CID99331,,,,,,,,,,,,0.0,,,,,
O=C(OCc1cc2ccccc2[nH]c1=O)c1ccccc1,CID664207,,0.0,,,,,,,0.0,,,,0.0,0.0,,0.0,
COc1cc(OC)cc(C(=O)OCc2cc3ccccc3[nH]c2=O)c1,CID663657,,,,,,,,0.0,,,,,,,,0.0,
Cc1ccc(C(=O)OCc2cc3ccccc3[nH]c2=O)cc1,CID663870,,,,,0.0,0.0,0.0,,,,0.0,,,,,0.0,
COc1cc(C(=O)OCc2cc3ccccc3[nH]c2=O)cc(OC)c1OC,CID664503,,,0.0,0.0,,,,,,,0.0,,,,,0.0,
Cc1cccc(C(=O)OCc2cc3ccccc3[nH]c2=O)c1,CID663555,,,0.0,,0.0,,,,,,0.0,0.0,,0.0,,,0.0
Cc1cccc2cc(COC(=O)c3ccccc3)c(=O)[nH]c12,CID664367,,0.0,0.0,,0.0,,0.0,0.0,0.0,,0.0,,,0.0,,0.0,0.0
COc1ccc(C(=O)OCc2cc3cccc(C)c3[nH]c2=O)cc1,CID664646,,,,,,,,,,,,0.0,,,,0.0,
Nc1nnc(SCc2ccc(Br)cc2)n1-c1ccccc1,CID1291204,,,,,,,,,0.0,,0.0,0.0,,,,,
Cc1nnc(SCc2ccccc2C#N)n1-c1ccccc1,CID977415,0.0,0.0,,,,,0.0,,,,0.0,,0.0,,,0.0,
N#Cc1cccc(CSc2nnc(CCCO)n2-c2ccccc2)c1,CID2299442,0.0,0.0,0.0,0.0,0.0,,0.0,,,,,,,,,0.0,0.0
COc1ccc(C(C)=O)cc1CSc1nncn1-c1ccccc1,CID2572920,,,,,,,,,,,,,,0.0,,,
Cc1cccc(CSc2nnc(N)n2-c2ccccc2)c1,CID851619,,,,,,,,,0.0,,0.0,0.0,,,,,
Nc1nnc(SCc2ccc(F)cc2)n1-c1ccccc1,CID4291261,,,,,,,,,,,0.0,,,,,,
Nc1nnc(SCc2ccccc2F)n1-c1ccccc1,CID977501,0.0,,,0.0,,,,,,0.0,,,,,,0.0,
C=CCn1c(-c2cccc(OC)c2)nc2nc3ccccc3nc21,CID943197,,,,,,0.0,,,,,,0.0,,,,,
C=CCn1c(-c2ccccc2)nc2nc3ccccc3nc21,CID664172,,,,0.0,,,,,,,,,,,,,0.0
COCCCn1c(-c2ccc(OC)cc2)nc2nc3ccccc3nc21,CID664242,,0.0,,0.0,,,0.0,0.0,,0.0,,,0.0,,0.0,,
CCCn1c(-c2cc(OC)c(OC)c(OC)c2)nc2nc3ccccc3nc21,CID3413199,,,,,,0.0,,,,,,,,,,,
COCCn1c(-c2cc(OC)c(OC)c(OC)c2)nc2nc3ccccc3nc21,CID663998,0.0,,,,,,0.0,,,,,,,,,,
CCCn1c(-c2ccc(OC)cc2)nc2nc3ccccc3nc21,CID663511,,0.0,,,,0.0,0.0,,,,0.0,,,,0.0,,
C=CCn1c(-c2ccc(OC)cc2)nc2nc3ccccc3nc21,CID946607,,,,,,,,,,,,0.0,,,,,
CCCCCCSc1nsc(NC(C)=O)n1,CID647253,0.0,,,,,,0.0,,,,,,,,0.0,,
CCCCCCSc1nsc(N)n1,CID3097006,,,,,,,,,,0.0,,,,,,,
CNc1nc(CC(C)=O)ns1,CID653344,0.0,,,0.0,,,,,,,,,,,,,
CCCCSc1nsc(NC(C)=O)n1,CID647726,,,0.0,,,,0.0,,,,0.0,,0.0,,,,
CCCCCCSc1nsc(NC(=O)CC(C)C)n1,CID1732500,,,,,,,,,,,,,,,0.0,,
C=CCSc1nsc(N)n1,CID651128,,,0.0,,,,,,,,,,,,,,
COC(=O)CSc1nsc(SCC(=O)OC)n1,CID3241454,,,,,0.0,,,,0.0,,,,,,,,
CC(=O)Nn1c(COc2ccccc2C)nc2ccccc2c1=O,CID662108,,,0.0,0.0,0.0,0.0,,,0.0,,,,0.0,,,,
Nn1c(COc2ccccc2)nc2ccccc2c1=O,CID660173,,0.0,,,,,,0.0,,,,,0.0,,,0.0,
Nn1c(COc2ccc(Cl)cc2)nc2ccccc2c1=O,CID671528,,,,,,,,,,,,,,,0.0,,
COc1cccc(OCc2nc3ccccc3c(=O)n2N)c1,CID934068,0.0,0.0,,0.0,,,0.0,,0.0,0.0,,,,,,,
Cc1cccc(OCc2nc3ccccc3c(=O)n2N)c1,CID804944,,,,,,,,,,,0.0,0.0,,,,,
Cn1c(COc2ccc(Cl)cc2)nc2ccccc2c1=O,CID583515,,0.0,0.0,,,0.0,,,,0.0,,,,0.0,,,0.0
Nn1c(COc2cccc(Cl)c2)nc2ccccc2c1=O,CID589404,,,,,,,,,,,,,,,0.0,,
COc1ccccc1Oc1cc(-n2nc(C)cc2C)ncn1,CID850354,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1cnn(-c2cc(Oc3ccccc3)ncn2)c1N,CID850342,,,,,,,,,,,,,,,0.0,,
COC(=O)c1cnn(-c2cc(Oc3ccccc3)ncn2)c1N,CID850340,,,,,,,,,,,,0.0,,,,,
c1ccc(Oc2cc(-n3cccn3)ncn2)cc1,CID661390,,,,0.0,,,,,,,,,,,,,
Cc1ccc(Oc2cc(-n3nc(C)cc3C)ncn2)cc1,CID850309,,,,,,,,,,0.0,,,,0.0,,,
CC(=O)c1cnn(-c2cc(Oc3ccccc3C)ncn2)c1C,CID850503,,,,,,,,,,,,,,,0.0,,
Cc1cnn(-c2cc(Oc3ccccc3)ncn2)c1,CID661295,,0.0,0.0,0.0,,,,,,,,0.0,0.0,,0.0,,
CNC(=O)c1[nH]cnc1C(=O)Nc1ccccc1C,CID965334,,,,,,,,,,,,,,0.0,0.0,,
CNC(=O)c1[nH]cnc1C(=O)Nc1ccccc1OC,CID851155,,,,,,,,,0.0,,,,,,,,
CNC(=O)c1[nH]cnc1C(=O)Nc1cccc(OC)c1,CID851156,,,,,,,,,0.0,,,0.0,0.0,,,,
CCOC(=O)c1[nH]cnc1C(=O)Nc1cccc(Cl)c1,CID969539,,,,,,,,,,,,,,,0.0,,
CNC(=O)c1[nH]cnc1C(=O)Nc1ccc(C)cc1,CID965332,,,,,,,,,,0.0,,0.0,,,,,
CCOC(=O)c1[nH]cnc1C(=O)Nc1ccccc1,CID564878,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1[nH]cnc1C(=O)Nc1ccccc1OC,CID961104,,,,,,,,,,,,,,,0.0,,
COc1ccc(Br)cc1CNC(=O)Nc1cccs1,CID3538660,,,,,,,,,,,0.0,,,,0.0,,
COc1cccc(CNC(=O)Nc2cccs2)c1,CID3244550,,,,,0.0,,,,0.0,,,,,,,,
Cc1ccc(CNC(=O)Nc2cccs2)cc1,CID3237696,,,,,0.0,,,,,,,,,,,,
CCOc1ccccc1CNC(=O)Nc1cccs1,CID3245967,,0.0,,,0.0,,,0.0,,,,,,,,,
COc1ccc(CNC(=O)Nc2cccs2)cc1OC,CID3237128,,,,,0.0,,0.0,,,,,,,,,,
COc1ccccc1CNC(=O)Nc1cccs1,CID3235778,,0.0,,,0.0,,,0.0,,0.0,0.0,,,,,,
Cc1ccccc1CNC(=O)Nc1cccs1,CID3244057,,,,,0.0,,,,,,,,,,,,
COC(=O)/C=C/c1ccc(OC(=O)c2ccncc2)cc1,CID885515,,,,,,,,,,,,,,0.0,,,
CCCCCCOc1ccc(OC(=O)c2ccncc2)cc1,CID3119481,,,,,,,,,,,0.0,,,,,,
Cc1ccc(C)c(OC(=O)c2ccncc2)c1,CID821673,,,,,,,,,0.0,,,,,,,,
CC(C)(C)c1cc(OC(=O)c2ccncc2)ccc1O,CID836825,,,,,,,,,0.0,,0.0,0.0,,0.0,0.0,,
COc1cc(C=O)ccc1OC(=O)c1ccncc1,CID889285,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(OC(=O)c2ccncc2)cc1,CID3239757,,,0.0,,,,,0.0,0.0,,,,,,,,
CCCCCOc1ccc(OC(=O)c2ccncc2)cc1,CID3238953,0.0,,,,,,,,0.0,0.0,0.0,,,,,0.0,
CCOC(=O)N1CCC(N(CCN(C)C)C(=S)Nc2cccc(Cl)c2C)CC1,CID12005254,,,,,,,,,,,,,,0.0,,,
CCOc1ccccc1NC(=S)N(CCC(C)C)C1CCN(C(C)=O)CC1,CID4228354,,,,,,,,,,,,,,,0.0,,
CC1(C)CC(NC(=S)Nc2ccc([N+](=O)[O-])cc2)CC(C)(C)N1,CID2878808,,,,,,0.0,,,,,,,,,,,
CSc1cccc(NC(=S)N(CCC(C)C)C2CCN(C(C)=O)CC2)c1,CID16193392,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1ccc(NC(=S)NC2CC(C)(C)NC(C)(C)C2)cc1,CID1148531,,,,,,,,,,,,,,0.0,,,
CN1CCC(N(C)C(=S)Nc2ccc(F)cc2)CC1,CID2476226,,,,,,,,,,,,,,0.0,,,
COCCN(C(=S)Nc1ccccc1OC)C1CCN(C(C)=O)CC1,CID12005448,,,,,,,,,,,,,,,0.0,,
CCOC(=O)CN1C(=O)NC2NC(=O)NC21,CID654665,,0.0,,,,,,,,,,,,0.0,0.0,,
CCCCN1C(=O)NC2NC(=O)NC21,CID3146919,,,,,,,,,,,,0.0,,,,,
CN1C(=O)N(C)C2C1NC(=O)N2C,CID653320,,0.0,,0.0,,,,,,,,,,,,,
CC(=O)N1C(=O)N(C)C2C1N(C(C)=O)C(=O)N2C,CID645931,,0.0,,,,,,,,,,,,,,,
CC(=O)N1C(=O)N(C(C)=O)C2C1N(C(C)=O)C(=O)N2C(C)=O,CID82717,,,,,,,0.0,,,,,,,,,,
CCN1C(=O)N(CC)C2C1N(C(C)=O)C(=O)N2C(C)=O,CID644680,,0.0,,,,,0.0,,,,,,,0.0,0.0,,
CC(=O)N1C(=O)N(C)C2C1N(C)C(=O)N2C(C)=O,CID646967,,,0.0,0.0,,,,,,,,,,,,,
Cc1ccc(C(=O)OCC(=O)NCc2cccs2)c(C)c1,CID2364510,,,,,,,,,,,,,,0.0,,,
O=C(COC(=O)c1ccccc1)NCc1cccs1,CID2490679,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1C(=O)OCC(=O)NCc1cccs1,CID2480348,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)c(C(=O)OCC(=O)NCc2cccs2)c(C)c1,CID2482714,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C(=O)OCC(=O)NCc2cccs2)cc1C,CID2364533,,,,,,,,,,,,,,0.0,,,
Cc1cccc(C(=O)OCC(=O)NCc2cccs2)c1,CID2364829,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C(=O)OCC(=O)NCc2cccs2)cc1,CID2364026,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1cc(C#N)c(Oc2ccccc2)nc1-c1ccccc1,CID2769125,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1cc(C#N)c(Oc2ccc(F)cc2)nc1-c1ccccc1,CID2769128,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1cc(C#N)c(Oc2ccccc2OC)nc1-c1ccccc1,CID2769133,,,,,,0.0,,,,,,,,,,,
Cc1cc(-c2ccccc2)nc(Oc2ccc(C(C)(C)C)cc2)c1S(C)(=O)=O,CID1488751,,,,,,,,,,0.0,,,,,,,
COc1ccccc1Oc1nc(-c2ccccc2)cc(C)c1S(C)(=O)=O,CID1488746,,,,,,,,,0.0,0.0,,,,,0.0,,
Cc1cc(C)cc(Oc2nc(-c3ccccc3)cc(C)c2S(C)(=O)=O)c1,CID1475672,,,,,,0.0,,,,0.0,,,,0.0,,,
Cc1cccc(Oc2nc(-c3ccccc3)cc(C)c2S(C)(=O)=O)c1C,CID1475673,,,,,,,,,,0.0,,,,,,,
Cc1ccc(OCC(=O)N2CCCCCC2)c(C)c1,CID891447,,,,,,,0.0,0.0,0.0,0.0,,,0.0,,,0.0,
Cc1cc(OCC(=O)N2CCCCCC2)ccc1[N+](=O)[O-],CID1246020,,,,,,,,,,,,,,0.0,0.0,,
Cc1cc(C)cc(OCC(=O)N2CCCCCC2)c1,CID891578,,,,,,,0.0,0.0,0.0,0.0,0.0,,,,,,
O=C(COc1ccc(Cl)cc1Cl)N1CCCCCC1,CID763095,,0.0,,,,,,,,,,,,,,,
Cc1cc(C)c(C)c(OCC(=O)N2CCCCCC2)c1,CID888310,,,,,,,,,0.0,0.0,,,,,,,
O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N1CCCCCC1,CID972802,,,,,,,,,,,,,,,0.0,,
O=C(COc1ccc(Br)cc1)N1CCCCCC1,CID732340,0.0,,,,,,,,,,,,,,,,0.0
O=S(=O)(NCc1cc(-c2ccccc2)no1)c1ccccc1,CID1484368,,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2cc(CNS(=O)(=O)c3ccc(F)cc3)on2)cc1,CID1480807,,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2cc(CNS(=O)(=O)c3ccccc3)on2)cc1,CID1480806,,,,,,,,,,,,,,0.0,,,
O=S(=O)(NCc1cc(-c2ccc(Cl)cc2)no1)c1ccccc1,CID1480818,,,,,,0.0,,,,,,,,,,,
COc1ccc(S(=O)(=O)NCc2cc(-c3ccccc3Cl)no2)cc1,CID1480799,,,,,,,,,,,,,,,0.0,,
O=S(=O)(NCc1cc(-c2ccccc2Cl)no1)c1ccccc1,CID1480798,,,,,,,,,,,,,,,0.0,,
O=S(=O)(NCc1cc(-c2ccccc2)no1)c1ccc(Cl)cc1,CID1484382,,,,,,0.0,,,,,,,,,0.0,,
CCOC(=O)c1cnc(Nc2ccc(OCC)cc2)nc1C,CID666538,,,,,0.0,,,,0.0,,,,0.0,,,,
Cc1ccc(Nc2nc(C)cc(C)n2)c(Br)c1,CID611317,0.0,,,,,,0.0,,0.0,,0.0,0.0,,,,0.0,0.0
COc1ccccc1Nc1ncc(C(C)=O)c(C)n1,CID664787,,,0.0,,,,0.0,,0.0,,,0.0,,,,,
CCOC(=O)c1cccc(Nc2nc(C)cc(C)n2)c1,CID734456,,,,0.0,,,,,0.0,,,,,,0.0,,
COC(=O)c1ccc(Nc2nc(C)cc(C)n2)cc1,CID734457,,,,,,,,,0.0,,,0.0,,,,,
Cc1cc(C)nc(Nc2ccccc2Br)n1,CID655149,0.0,,,,,,,,0.0,,,,,,,,0.0
Cc1cc(C)nc(Nc2ccc(C)c([N+](=O)[O-])c2)n1,CID776676,,,,,,,,,,,,,,0.0,,,
COc1ccc(CNc2nc3nc(C)c(Cl)c(C)n3n2)cc1OC,CID666530,0.0,0.0,0.0,,,,0.0,,,,,,,,,,
COc1ccc(CNc2nc3nc(C)cc(C)n3n2)cc1,CID1969110,,,,,,,,,,,,0.0,,,,,
Cc1cc(C)n2nc(NCc3cccc(Br)c3)nc2n1,CID666666,0.0,,,,,,,,0.0,,0.0,,,,,,0.0
COc1cccc(CNc2nc3nc(C)cc(C)n3n2)c1,CID666665,,0.0,,0.0,,,,0.0,,,,0.0,0.0,,,,
COc1cccc(CNc2nc3nc(C)c(Cl)c(C)n3n2)c1,CID1242785,0.0,,,,,,0.0,,,,,,,,,0.0,
COc1ccc(CNc2nc3nc(C)cc(C)n3n2)cc1OC,CID667174,,,0.0,0.0,,,,,,,,,,0.0,0.0,,
Cc1cc(C)n2nc(NCc3ccccc3)nc2n1,CID935627,,0.0,0.0,0.0,,,0.0,,,,,,0.0,,,,0.0
Cc1ccc2c(c1)[nH]c1c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)ncnc12,CID663850,0.0,,,,,,,0.0,,,0.0,,0.0,,,,
COc1cccc2[nH]c3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)ncnc3c12,CID665500,0.0,0.0,,,,,,,,,,,0.0,,,,
COc1ccc2c(c1)[nH]c1c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)ncnc12,CID663146,,0.0,,,,,,,,,,,,,,,0.0
Cc1ccc2[nH]c3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)ncnc3c2c1,CID658729,0.0,,1.0,,,0.0,,,,,,,0.0,,,,0.0
Fc1ccc2[nH]c3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)ncnc3c2c1,CID659623,,0.0,1.0,,,,,,,,0.0,0.0,0.0,,,,0.0
COc1ccc2c(c1)c1ncnc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c1n2C,CID665598,0.0,,0.0,,,,,0.0,,,,0.0,0.0,,,,
COc1ccc2[nH]c3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)ncnc3c2c1,CID659543,0.0,,,,,,0.0,,,,,,,,,,0.0
CC(C)(C)C(=O)CN1C(=O)C2(OCCO2)c2ccccc21,CID652122,,0.0,0.0,,,,,,,,,,,,,,
CCNC(=O)N1C(=O)C2(OCCO2)c2ccccc21,CID649909,,,,,,,,0.0,,,,,,,,,
CC(C)CC(=O)CN1C(=O)C2(OCCO2)c2ccccc21,CID3242876,,,,,,,,,,,,,0.0,,,,
O=C1Nc2ccccc2C12OCCO2,CID281156,,0.0,,,,,,,,0.0,,,,,0.0,0.0,
CCNC(=O)N1C(=O)C2(OCCO2)c2cc(Br)ccc21,CID658597,0.0,,,,,,0.0,,0.0,,0.0,,,,,,0.0
CC(C)(C)C(=O)CCN1C(=O)C2(OCCO2)c2ccccc21,CID651694,,,,,,,,,,,0.0,,0.0,,,,
CC1OC2(OC1C)C(=O)Nc1ccccc12,CID3817606,,,,,,0.0,,,,,,,,0.0,,,
CCCCNC(=O)C1CC(=O)N(CCC(C)C)C1,CID3245780,,0.0,,0.0,,,,,,,,,,,,,
N/C(CN1CCCC1=O)=N\O,CID654747,,,,0.0,,,,0.0,,0.0,,0.0,,,,,
CC(C)(C)N1CC(C(=O)O)CC1=O,CID3163418,,,,,,,,,,,,,,,0.0,,
CNC(=O)NCCN1CCCC1=O,CID655916,,,,,,,,,,,,0.0,,,,,
CC(C)OCCCNC(=O)C1CCC(=O)N1C(C)C,CID3243254,,,,,,,,,,,,,0.0,,,0.0,
CC(C)CCN1CC(C(=O)NC(C)C)CC1=O,CID3243347,,,,,,,,,,0.0,,,,,,0.0,
CN(C)CCN1CC(C(=O)O)CC1=O,CID654521,,,0.0,0.0,,,,,,,,,0.0,,,,
COC(=O)c1cc(NC(=O)COc2ccc(OC)cc2)ccc1N1CCOCC1,CID6462731,,,,,,,,,,,,,,0.0,,,
O=C(COc1cccc(Cl)c1)Nc1ccc(N2CCOCC2)cc1,CID2633043,,,,,,0.0,,,,,,,,0.0,,,
Cc1cc(OCC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)cc(C)c1Cl,CID2880633,,,,,,0.0,,,,,,,,,,,
COc1ccc(OCC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)cc1,CID1136397,,,,0.0,,,,,,,,,0.0,,,0.0,0.0
COc1ccc(OCC(=O)Nc2ccc(N3CCOCC3)cc2)c([N+](=O)[O-])c1,CID2563109,,,,,,,,,,,,,,,0.0,,
COc1ccc(OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1,CID682559,,,,0.0,,,,,0.0,0.0,,,,,,,0.0
Cc1ccc(OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1,CID682558,0.0,,,,,,,0.0,0.0,,,0.0,,,,,
COc1cc2c(cc1OC)/C(=C(/C#N)N=O)NC(C)(C)C2,CID5771450,,,,,,,,0.0,,,,0.0,,,,,
CC1(C)Cc2ccccc2/C(=C(\N=O)C(N)=O)N1,CID5399718,,,0.0,,,,,,,,,0.0,,,,,
CCOC(=O)/C=C1\NC(C)(C)Cc2cc(OC)c(O)cc21,CID5292846,,,,,,,,0.0,,0.0,,,0.0,,,,
CCOC(=O)/C=C1\NC(C)(C)Cc2cc(OC)c(OC)cc21,CID696431,,,,,,0.0,,,0.0,,0.0,,,,,,
Cc1cc2c(cc1C)/C(=C\C(N)=O)NC(C)(C)C2,CID5292320,,0.0,,,,,,,,,0.0,,,,0.0,,
CCOC(=O)/C(N=O)=C1\NC(C)(C)C(C)c2ccccc21,CID5494675,,,,,,0.0,,,,,,,,,,,
COc1cc2c(cc1OC)/C(=C/C#N)NC(C)(C)C2,CID5290769,,,,,,,,0.0,,,,,,,,,
CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(Br)o3)cc2)CC1,CID1263637,0.0,,,,,,0.0,,0.0,,0.0,0.0,,,,0.0,0.0
CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3ccc(Br)o3)cc2)CC1,CID1225055,0.0,,,,,,,,0.0,,0.0,,,,,0.0,0.0
CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc(Br)o3)cc2)CC1,CID1048471,0.0,,,,,,0.0,,0.0,,,0.0,,,,,
CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccco3)cc2)CC1,CID655319,0.0,0.0,0.0,,,,0.0,,,,,,,,,,
CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2Cl)CC1,CID1088361,,,,,,,,,,,,,,0.0,,,
CCC(=O)N1CCN(c2ccc(NC(=O)c3ccco3)cc2)CC1,CID1256815,,,,,,,,0.0,,,,0.0,,,0.0,,
CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CC1,CID1048482,,,,,,,,,,,,,,0.0,,,
CCOc1c(Br)cc(CNc2ncn[nH]2)cc1OC,CID935333,0.0,,,,,,0.0,,,,0.0,0.0,,,0.0,0.0,
COc1cc(CNc2ncn[nH]2)cc(Br)c1OC,CID666503,0.0,,,,,,0.0,,,,,0.0,,,,0.0,
CN(C)c1ccc(CNc2ncn[nH]2)cc1,CID913757,,,,,,,,,,,,,,0.0,,,
CSc1n[nH]c(NCc2ccc(Cl)cc2)n1,CID834427,,,,,,,,,0.0,,,,,,0.0,,
COc1ccc(CNc2nc(SC)n[nH]2)cc1OC,CID834429,,0.0,0.0,0.0,,,,0.0,,,0.0,0.0,,,,0.0,
CSc1n[nH]c(NCc2ccccc2)n1,CID834424,,0.0,,0.0,,,,,,,,,,,,,
C=CCOc1c(CNc2ncn[nH]2)cccc1OC,CID2215585,,,,,,0.0,,,0.0,,,,,,0.0,,
NC(=O)c1ncc(C(F)(F)F)cc1Oc1ccc(C(F)(F)F)cc1,CID1478755,,,,,,,,,0.0,,,,,,,,
N#Cc1ccc(Oc2cccnc2)cc1C#N,CID882273,,0.0,,,,,,,,,,,,,,,
NC(=O)c1ncc(C(F)(F)F)cc1Oc1cccc(C(F)(F)F)c1,CID1478724,,,,,,,,,0.0,,,,,,,,
COc1ccc(Oc2cc(C(F)(F)F)cnc2C(N)=O)cc1,CID1478745,,,,,,,,,0.0,,,,,,,,
NC(=O)c1ncc(C(F)(F)F)cc1Oc1cccc(F)c1,CID1478734,,,,,,,,,0.0,,,,,,,,
NC(=O)c1ncc(C(F)(F)F)cc1Oc1ccc(F)cc1,CID1478735,,,,,,,,,0.0,,,,,,,,
O=[N+]([O-])c1cc(Oc2cccnc2)cc([N+](=O)[O-])c1,CID4454650,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(N2CC(C(=O)NCCc3ccc(OC)c(OC)c3)CC2=O)cc1,CID3239978,,,0.0,,,,,0.0,0.0,0.0,,,,,,,
COc1ccc(CCNC(=O)C2CC(=O)N(c3ccc(Br)cc3)C2)cc1OC,CID2889263,,,,,,,,,,,,,,,0.0,,
COc1ccc(N2CC(C(=O)NCCc3ccc(OC)c(OC)c3)CC2=O)cc1,CID2920590,,,0.0,,,,,,0.0,,,0.0,,,,,
Cc1ccc(N2CC(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2=O)cc1,CID2963161,,,,,0.0,,,,,,,,,,,0.0,
COc1ccc(CCNC(=O)C2CC(=O)N(c3ccccc3)C2)cc1OC,CID2889691,,,,,,,0.0,0.0,0.0,0.0,,,,,,,
O=C(NCCc1ccccc1Cl)C1CC(=O)N(c2ccccc2)C1,CID2883467,,,,,,0.0,,,,,,,,,,,
COc1ccc(CCNC(=O)C2CC(=O)N(c3ccc(F)cc3)C2)cc1OC,CID2891286,,,,,,,,,,,,,0.0,,0.0,,
Cc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2)o1,CID5348570,,,,,,0.0,,,,,,,,,,,
COc1ccccc1NC(=O)/C=C/c1ccc(C)o1,CID874840,,,,,,0.0,,,,,,,,,,,
N#CCc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)cc1,CID686860,,,,,,,,,,,,,,0.0,0.0,,
O=C(/C=C/c1ccco1)Nc1ccc(O)cc1C(=O)O,CID879333,,,,,,0.0,,,,,,,,,,,
CN(C(=O)/C=C/c1ccco1)c1ccccc1C(=O)O,CID2337135,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccccc1NC(=O)/C=C/c1ccco1,CID1521926,,,,,,,,,,,,,,,0.0,,
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(Br)o2)cc1,CID2184164,,,,,,,,,,,,,,,0.0,,
Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2C(C)C)c1,CID663643,,0.0,0.0,0.0,,,,0.0,,,,,0.0,,0.0,,
COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2NC(C)=O)cc1,CID709870,,,,,,,,,0.0,,,,,,,,
CCn1cc2c(c1-c1cccc(C)c1)c(=O)n(C)c(=O)n2C,CID663566,,,0.0,,,,,,,,,,,,,,
CC(=O)Nn1cc2c(c1-c1ccccc1)c(=O)n(C)c(=O)n2C,CID801348,,0.0,0.0,0.0,,,,0.0,,,,,0.0,0.0,,,
Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2C(C)(C)C)c1,CID663876,,,,0.0,,,0.0,,,,,,0.0,,,,
CCCn1cc2c(c1-c1cccc(C)c1)c(=O)n(C)c(=O)n2C,CID664222,,,,,,,,0.0,,,,0.0,,,,,
Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2CCO)c1,CID664394,,0.0,0.0,0.0,,,,,0.0,,,,0.0,,,0.0,
COC(=O)C1=C(N)Oc2cc(C)n(Cc3cccnc3)c(=O)c2C1c1ccc(OC)c(OC)c1OC,CID661863,,,0.0,,,,,,,,,,0.0,,,,
Cc1cc2c(c(=O)n1Cc1cccnc1)C(c1ccccc1)C(C#N)=C(N)O2,CID661456,,0.0,0.0,,,,,,,,0.0,,,,,,0.0
COC(=O)C1=C(N)Oc2cc(C)n(Cc3cccnc3)c(=O)c2C1c1cc(OC)ccc1OC,CID665909,0.0,,,,,0.0,,,,,0.0,,,,,,
COC(=O)C1=C(N)Oc2cc(C)n(Cc3cccnc3)c(=O)c2C1c1cccc(OC)c1OC,CID661923,0.0,,,,,,,,,0.0,,,0.0,0.0,,,
COC(=O)C1=C(N)Oc2cc(C)n(Cc3cccnc3)c(=O)c2C1c1ccc(OC)c(OC)c1,CID3238697,0.0,,,0.0,,,,,,,,,,,0.0,,
COC(=O)C1=C(N)Oc2cc(C)n(Cc3cccnc3)c(=O)c2C1c1ccccc1OC,CID661893,,,,,,,,,,,,,,,,0.0,0.0
Cc1cc2c(c(=O)n1Cc1cccnc1)C(c1ccc(F)cc1)C(C#N)=C(N)O2,CID662000,0.0,,,,,,,0.0,,,,0.0,,,,0.0,
Cc1nc(=O)c(-c2ccccc2)c(C)n1CCO,CID792606,,,,,,0.0,,,,,,,,,0.0,,
Cc1nc(=O)c(-c2ccccc2)c(C)[nH]1,CID655167,,,,0.0,,0.0,,,,0.0,,0.0,0.0,0.0,,0.0,
CCOC(=O)CCCn1c(C)nc(=O)c(-c2ccccc2)c1C,CID2997544,,,,,,0.0,0.0,,,,0.0,,0.0,,,,0.0
Cc1nc(=O)c(-c2ccccc2)c(C)n1CCCO,CID658356,,0.0,,,,0.0,0.0,,,0.0,,,0.0,,,,
CCCc1nc(=O)c(-c2ccc(OC)c(OC)c2)c(C)[nH]1,CID818347,,,,,0.0,,,,,0.0,0.0,,,,,,
COC(=O)Cn1c(C)nc(=O)c(-c2ccccc2)c1C,CID751754,,,,,,,,,,,,,0.0,0.0,,,
CCc1nc(=O)c(-c2ccccc2)c(C)[nH]1,CID2332086,,,0.0,0.0,,,0.0,,,0.0,,,,,,0.0,
COc1ccc(CCNc2oc(-c3ccccc3OC)nc2C#N)cc1OC,CID664338,0.0,0.0,0.0,,0.0,,0.0,,0.0,0.0,0.0,0.0,,,0.0,,0.0
COc1ccc(-c2nc(C#N)c(NCCc3ccccc3)o2)cc1,CID892204,0.0,,,,,,0.0,,,,,0.0,,,0.0,,0.0
COc1ccc(-c2nc(C#N)c(NCCc3ccccc3)o2)cc1OC,CID664611,0.0,,,,,,,,0.0,0.0,0.0,,,,,,0.0
COc1ccc(CCNc2oc(-c3ccc(OC)c(OC)c3)nc2C#N)cc1,CID663535,0.0,,0.0,0.0,0.0,0.0,,,0.0,0.0,,0.0,0.0,,,,0.0
COc1ccc(CCNc2oc(-c3ccc(C)cc3)nc2C#N)cc1OC,CID1324119,0.0,,,,,,,,0.0,0.0,0.0,,0.0,,,,
N#Cc1nc(-c2ccccc2F)oc1NCCc1ccccc1,CID892559,,,,,,,,,,,,0.0,,,,,
COc1ccc(CCNc2oc(-c3ccccc3OC)nc2C#N)cc1,CID664429,,,,,,,,,0.0,,0.0,0.0,,,0.0,,0.0
Cc1cc(NC(=O)CSc2cn(CCNC(=O)c3ccccc3)c3ccccc23)no1,CID3253165,0.0,,,0.0,0.0,,,,,,,,,,,,
CCOc1ccc(C(=O)NCCn2cc(SCC(=O)Nc3cc(C)on3)c3ccccc32)cc1,CID3243197,0.0,,,0.0,0.0,0.0,,0.0,,,,,,,,,
Cc1ccc(C(=O)NCCn2cc(SCC(=O)Nc3cc(C)on3)c3ccccc32)cc1,CID4244757,0.0,,,,0.0,,,,,,,0.0,,,,,
COc1ccc(C(=O)NCCn2cc(SCC(=O)Nc3cc(C)on3)c3ccccc32)cc1OC,CID3242489,,,,,0.0,,,,,,,,,,,,
Cc1cc(NC(=O)CSc2cn(CCNC(=O)c3ccc(Cl)cc3)c3ccccc23)no1,CID3575228,0.0,,0.0,,0.0,,,,,,,,,,,,
COc1ccccc1C(=O)NCCn1cc(SCC(=O)Nc2cc(C)on2)c2ccccc21,CID3241805,0.0,,0.0,,0.0,,,,,,0.0,0.0,,,,,0.0
Cc1cc(NC(=O)CSc2cn(CCNC(=O)c3ccc(F)cc3)c3ccccc23)no1,CID3241455,0.0,,,,0.0,0.0,0.0,0.0,,,,,,,,,
CCOc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(SC)cc3)cc2)cc1,CID2227768,,,,,,,,,,0.0,,,,,,,
CCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cc(OC)ccc3OC)cc2)cc1,CID1314388,,,,,,,,,0.0,,0.0,0.0,,,,,
CSc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1,CID2238485,,,,,,,,,0.0,,,,,,,,
COc1ccc(C)cc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1,CID1321618,,,,,0.0,,,,,,0.0,,,,0.0,,
O=S(=O)(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccccc1,CID1333712,,,,,,,,,0.0,,,,,,,,
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1C,CID983012,,,,,,,,,,,,0.0,,0.0,,,
COc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(SC)cc3)cc2)c(OC)c1,CID2226199,,,,,,,,,0.0,,,,,,,,
CCOc1ccc(S(=O)(=O)Nc2ncccc2C)c2ccccc12,CID1073731,,,,,,,,,0.0,,,0.0,,,0.0,,
COc1ccc(S(=O)(=O)Nc2cccc(C)n2)c2ccccc12,CID2240902,,,,0.0,,,0.0,,0.0,,0.0,,,,0.0,,0.0
O=S(=O)(Nc1ccccn1)c1ccc(Cl)c2ccccc12,CID881482,,,,,,,,,,,,,,0.0,0.0,,
CCOc1ccc(S(=O)(=O)Nc2cc(C)ccn2)c2ccccc12,CID741447,,,,,,,,,0.0,0.0,,0.0,,,,,
CN(C)c1cccc2c(S(=O)(=O)Nc3ccccn3)cccc12,CID664985,,0.0,0.0,,,,0.0,,,,0.0,,,,,0.0,0.0
CCOc1ccc(S(=O)(=O)Nc2ccccn2)c2ccccc12,CID794391,,,,,,,,,0.0,,,0.0,,,,,
COc1ccc(S(=O)(=O)Nc2cc(C)cc(C)n2)c2ccccc12,CID847813,,,,,,,0.0,,0.0,,,,,,,,0.0
CCCn1c(CNC(=O)c2cccs2)nc2ccccc21,CID4284206,,0.0,,,,,,0.0,,,,,,0.0,,0.0,
CCCCCn1c(CNC(=O)c2cccs2)nc2ccccc21,CID3237449,,,,,,,0.0,,,,,0.0,,,,,0.0
CN(Cc1nc2ccccc2n1C)C(=O)c1cccs1,CID935525,,,,0.0,,,0.0,,,,,,,,,0.0,0.0
O=C(NCc1nc2ccccc2[nH]1)c1cccs1,CID751095,,0.0,,0.0,,,,0.0,,0.0,,,,,,,0.0
CCCCn1c(C(C)NC(=O)c2cccs2)nc2ccccc21,CID3243597,,0.0,,,,,,,,,,,0.0,,,0.0,
CCCCn1c(CNC(=O)c2cccs2)nc2ccccc21,CID4356771,0.0,,,,,,,,,,,,,,,0.0,
CCn1c(C(C)NC(=O)c2cccs2)nc2ccccc21,CID4189776,,0.0,,,,,,,,,0.0,,,,,0.0,
CCOc1ccccc1/C=N/NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1,CID1003065,,,,,,,,,,,,0.0,,,,,
CC(C)c1ccc(/C=N/NC(=O)c2ccc(Cn3cccn3)o2)cc1,CID841328,,,,,,,,,,,,,,,0.0,,
C/C(=N\NC(=O)c1ccc(Cn2cc(Br)cn2)o1)c1cccc(NC(=O)C(C)(C)C)c1,CID1003131,,,,,,,,,,,,,,0.0,,,
O=C(N/N=C/c1c(F)cccc1Cl)c1ccc(Cn2cc(Br)cn2)o1,CID1008284,,,,,,,,,,,,,,,0.0,,
Cc1ccccc1/C=N/NC(=O)c1ccc(Cn2cccn2)o1,CID831806,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(/C=N/NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)cc1,CID1009142,,,,,,,,,,,,0.0,,,,,
COc1ccc(/C=N/NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)c(OC)c1C,CID1008232,,,,,,,,,,,,0.0,,,,,
Cc1ccc(-n2ncc3c(NCc4ccccc4)ncnc32)cc1,CID660155,,0.0,0.0,0.0,,,,0.0,,,,0.0,,,,,
Fc1ccc(CNc2ncnc3c2cnn3-c2ccccc2)cc1,CID661083,,0.0,0.0,,,,,0.0,,,,0.0,,,,,
Cc1cccc(-n2ncc3c(N(C)Cc4ccccc4)ncnc32)c1,CID4079808,,0.0,,,,,,,,,,,,,,,
Cc1ccc(CNc2ncnc3c2cnn3-c2ccccc2)cc1,CID661201,,,,,,,,,,,,,0.0,,,,
c1ccc(CNc2ncnc3c2cnn3-c2ccccc2)cc1,CID660012,,,0.0,0.0,,,,,,,,0.0,0.0,,,,
COc1ccccc1CNc1ncnc2c1cnn2-c1ccccc1,CID4119265,0.0,,,0.0,,,,0.0,,,,,0.0,,,,
Cc1cccc(-n2ncc3c(NCc4ccccc4)ncnc32)c1,CID950340,,,0.0,0.0,,,,0.0,,,,,,,,0.0,
Cc1ccc(C(C)C)c(OCCn2c(=O)oc3ccccc32)c1,CID2147691,0.0,,0.0,,,,,,,,,,,,,,
Cc1ccccc1OCCn1c(=O)oc2ccccc21,CID2145509,,,,,,,,0.0,,0.0,,,,,0.0,0.0,
COc1ccccc1OCCn1c(=O)oc2ccc(C)cc21,CID851220,,,,,,,,,,,,,,,0.0,,
Cc1cccc(OCCn2c(=O)oc3ccc(C)cc32)c1,CID851217,,,,,,,,,,,,,,0.0,,,
Cc1ccc(OCCn2c(=O)oc3ccc(C)cc32)cc1,CID851218,,,,,,,,,,,,,,0.0,,,
Cc1ccc2oc(=O)n(CCOc3ccccc3Cl)c2c1,CID851219,,0.0,0.0,,,0.0,,,,0.0,,,,0.0,,0.0,0.0
Cc1ccc2oc(=O)n(CCOc3ccccc3)c2c1,CID851215,,,,,,,,,,,,,,0.0,0.0,,
CCCOc1ccccc1C1CC(=O)Nc2cc3c(cc21)OCCO3,CID2980758,,,0.0,,,,,,,,,,,,,0.0,
COc1cccc(C2CC(=O)Nc3cc4c(cc32)OCCO4)c1OC(C)C,CID3162330,,0.0,,,,,,0.0,,,,,,,,0.0,
CCCOc1c(OC)cccc1C1CC(=O)Nc2cc3c(cc21)OCCO3,CID3237064,,,0.0,,,0.0,,0.0,,,,,,,,,
CC(C)Oc1ccccc1C1CC(=O)Nc2cc3c(cc21)OCCO3,CID2955678,,,,,,,,,,0.0,,,,,,,0.0
COc1ccccc1C1CC(=O)Nc2cc3c(cc21)OCCO3,CID2943604,,,,0.0,,,0.0,0.0,,,,,,,,0.0,0.0
CCOc1ccccc1C1CC(=O)Nc2cc3c(cc21)OCCO3,CID644407,,,,,,,,0.0,,,,,0.0,,0.0,0.0,0.0
CCOc1c(OC)cccc1C1CC(=O)Nc2cc3c(cc21)OCCO3,CID3162345,,,,,,,,,,,,,,,,0.0,
CC(C)CNS(=O)(=O)c1ccc(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,CID2951369,,,,,,,,,,,,,,,0.0,,
COc1ccccc1N1CCN(C(=O)CCc2ccc(S(=O)(=O)NC(C)C)cc2)CC1,CID654406,,,,,0.0,,,,,,0.0,,,,,,0.0
COc1ccc(N2CCN(C(=O)CCc3ccc(S(=O)(=O)NC(C)C)cc3)CC2)cc1,CID1090405,,,,,,,,,0.0,,0.0,,,,,,
COc1ccccc1N1CCN(C(=O)CCc2ccc(S(=O)(=O)NCC(C)C)cc2)CC1,CID2950402,,,,,0.0,,,,,,0.0,,,,,,0.0
COc1ccc(N2CCN(C(=O)CCc3ccc(S(=O)(=O)NCC(C)C)cc3)CC2)cc1,CID3323410,,,,,,,,,,0.0,,0.0,,,,,
CCCNS(=O)(=O)c1ccc(CCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1,CID3156949,,,,,,,,,,0.0,,0.0,,,0.0,,
CC(CC(=O)N1CCN(c2ccccc2)CC1)c1ccccc1,CID2915389,,,,,,,,,,,,,,,0.0,,
COc1cccc(C(=O)N(Cc2ccco2)Cc2cc3cccc(C)c3[nH]c2=O)c1,CID667191,0.0,,,,,0.0,0.0,,0.0,0.0,,0.0,,0.0,,,
COc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)c3ccccc3)cc2c1,CID652848,0.0,,,,,,0.0,,0.0,0.0,,,0.0,0.0,,,
COc1ccc(C(=O)N(Cc2ccco2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1OC,CID667379,0.0,,,0.0,,,,,,0.0,,,,,,,
Cc1ccc2cc(CN(Cc3ccco3)C(=O)c3ccccc3)c(=O)[nH]c2c1C,CID652736,0.0,,,,,,,,0.0,,,,0.0,0.0,,,0.0
COc1cc(C(=O)N(Cc2ccco2)Cc2cc3ccccc3[nH]c2=O)cc(OC)c1OC,CID667287,,0.0,,,,,,,,,,,,,,,
CCOc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)c3ccc(Br)cc3)cc2c1,CID653302,0.0,,,,,,0.0,,,,,,,,,0.0,0.0
CCOc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)c3cccc(F)c3)cc2c1,CID649351,,,,,,,0.0,,,,0.0,0.0,,,,,
CCS(=O)(=O)n1nc(NCc2cccc(OC)c2)nc1NCc1cccc(OC)c1,CID2234662,,0.0,,,0.0,,,0.0,,,,,,,,,
COCC(=O)n1nc(NCc2ccc(OC)cc2)nc1NCc1ccc(OC)cc1,CID1258302,,,,,,,,0.0,,,0.0,0.0,,,,,
CCC(=O)n1nc(NCc2ccccc2OC)nc1NCc1ccccc1OC,CID1258314,,,,,,,,,,,,,,,,,0.0
COc1ccc(CNc2nc(NCc3ccc(OC)cc3)n(S(C)(=O)=O)n2)cc1,CID1258480,,0.0,,0.0,0.0,,,,,,,,0.0,,,,0.0
COc1ccc(CNc2n[nH]c(NCc3ccc(OC)c(OC)c3)n2)cc1OC,CID2236501,0.0,,,,,,0.0,,0.0,,0.0,,,,,0.0,0.0
COc1ccccc1CNc1n[nH]c(NCc2ccccc2OC)n1,CID2237121,,,0.0,,,,0.0,0.0,0.0,,,,,,,0.0,0.0
CCC(=O)n1nc(NCc2ccc(OC)c(OC)c2)nc1NCc1ccc(OC)c(OC)c1,CID2236909,,,0.0,,,,,,,,,,,,,,0.0
CC(=O)Nc1ccc(N2C(=O)CSC2c2ccc(F)cc2)cc1,CID3236432,,,0.0,,,,0.0,,,,,,0.0,,,,0.0
O=C(O)c1cccc(N2C(=O)CSC2c2c(F)cccc2Cl)c1,CID3238552,,0.0,,,0.0,,,,,,,,,,,,
Cc1ccc(N2C(=O)CSC2c2ccc(Cl)cc2)cc1C,CID2883590,,,,,,0.0,,,,,,,,,,,
O=C1CSC(c2cccc(F)c2)N1c1ccccc1F,CID3244085,,,,,,,,,,,,,,,,,0.0
Cc1ccc(N2C(=O)CSC2c2c(F)cccc2Cl)cc1,CID4247898,,,,,,,,,,,,,,0.0,,,
COc1ccc(N2C(=O)CSC2c2cccc(F)c2)c(OC)c1,CID3240481,,,,,,,,,,,,,0.0,,,,
O=C1CSC(c2c(F)cccc2Cl)N1c1cccc(F)c1,CID4247900,,,,,,,,,,,,,,0.0,,,
CCCOC(=O)CSC1=C(C#N)C(c2ccc3c(c2)OCO3)CC(=O)N1,CID659987,,,0.0,0.0,,,,,,,,,,,,,
CCOC(=O)C1=C(C)NC(=O)CC1c1cc2c(cc1Br)OCO2,CID2864571,,,,,,,0.0,,,,,,,,,,
CCCCOC(=O)CSC1=C(C#N)C(c2ccc3c(c2)OCO3)CC(=O)N1,CID659977,,,,,,,0.0,0.0,,0.0,,,,0.0,,,
CCOC(=O)CSC1=C(C#N)C(c2ccc3c(c2)OCO3)CC(=O)N1,CID660040,,,,,,,,,,,0.0,,,,,0.0,
COCCOC(=O)C1=C(C)NC(=O)CC1c1cc2c(cc1Br)OCO2,CID651857,0.0,,,,,,,,,,0.0,,,,,,
CC1=C(C(=O)OCCOC(C)C)C(c2cc3c(cc2Br)OCO3)CC(=O)N1,CID9550900,,,,,,,,,,,0.0,,,0.0,,,
COC(=O)C1=C(C)NC(=O)CC1c1cc2c(cc1Br)OCO2,CID2864859,0.0,,,,,,,,,,,,,,,0.0,
COc1ccc(-c2c(NC(=O)C(C)C)n(C)c3ccccc3c2=O)cc1,CID1850488,,,,,,,,,0.0,,0.0,0.0,,,,,
CCCn1c(O)c(-c2ccccc2)c(=O)c2ccccc21,CID644938,,0.0,,,,,,,,,0.0,,,,,,
CCCCn1c(O)c(-c2ccccc2)c(=O)c2ccccc21,CID617036,,,,,,,,,,0.0,0.0,,0.0,,,,
CCCC(=O)Nc1c(-c2ccc(OC)cc2)c(=O)c2ccccc2n1C,CID1850932,,,,,,,,,0.0,,,,,,0.0,,
COc1ccc(-c2c(NC(C)=O)n(C)c3ccccc3c2=O)cc1,CID666862,,,0.0,,0.0,,,,0.0,,,0.0,0.0,,,,0.0
CCn1c(O)c(-c2ccccc2)c(=O)c2ccccc21,CID655503,,0.0,,,,,0.0,,,0.0,0.0,,,,0.0,0.0,
CCC(=O)Nc1c(-c2ccc(OC)cc2)c(=O)c2ccccc2n1C,CID666347,0.0,,0.0,,0.0,,,,0.0,,0.0,,0.0,,,,
COC(=O)c1cc(NC(=O)CC2SCCNC2=O)cc(C(=O)OC)c1,CID2981105,,,,0.0,,,0.0,,,,,,0.0,,,,
Cc1ccccc1NC(=O)CC1SCCNC1=O,CID2981337,,,,0.0,0.0,,0.0,,,,,,,,,,
CCOC(=O)C1CSC(CC(=O)Nc2ccc(Cl)cc2)C(=O)N1,CID581637,0.0,,,0.0,,,,,,,0.0,,,,,,0.0
O=C(CC1SCCNC1=O)Nc1cccc(C(F)(F)F)c1,CID666903,0.0,,,,0.0,,,0.0,0.0,0.0,,,,,,,
Cc1ccc(NC(=O)CC2SCCNC2=O)cc1Cl,CID667185,,,0.0,0.0,,,,,,0.0,,,,,,,
CCOC(=O)c1ccc(NC(=O)CC2SCCNC2=O)cc1,CID666240,,,,0.0,0.0,,0.0,,,,,,,,,0.0,
CCOC(=O)C1CSC(CC(=O)Nc2ccc(OCC)cc2)C(=O)N1,CID3126472,,,,,,,,,,0.0,,,,,,,
CN(C)c1ccc(-n2cc3c(=O)n(C)c(=O)n(C)c3c2)cc1,CID665260,,,,,,,,,0.0,,,,,,,0.0,
Cn1c(=O)c2cn(-c3ccccc3)cc2n(C)c1=O,CID753672,,,,,,,,,0.0,,,0.0,,,0.0,,
Cc1ccc(-n2cc3c(=O)n(C)c(=O)n(C)c3c2)cc1C,CID665353,,,0.0,,,,,,,,,,,,0.0,0.0,
Cc1cc(N)c(-n2cc3c(=O)n(C)c(=O)n(C)c3c2)cc1C,CID661341,,0.0,,0.0,,,0.0,,0.0,,,,,,,0.0,
Cc1cc(C)cc(-n2cc3c(=O)n(C)c(=O)n(C)c3c2)c1,CID753685,,,0.0,,,,,,,0.0,,,,,,0.0,
COc1cccc(-n2cc3c(=O)n(C)c(=O)n(C)c3c2)c1,CID665271,,,,,,0.0,,0.0,0.0,,,,,,0.0,,
COc1ccc(OC)c(-n2cc3c(=O)n(C)c(=O)n(C)c3c2)c1,CID665200,,,,,,,,,0.0,,,,,,0.0,,
O=C1COc2ccccc2N1Cc1ccccc1Cl,CID655620,,,,0.0,,0.0,,,,0.0,0.0,,,,,,0.0
CC1Oc2ccccc2N(Cc2ccccc2Cl)C1=O,CID653539,,,,,,,,,,,,,0.0,0.0,,,
COC(=O)CC1Oc2ccccc2N(Cc2ccc(C)cc2)C1=O,CID3237918,,,,0.0,,,,,,,0.0,,,,,,
CC1Oc2ccccc2N(Cc2ccccc2F)C1=O,CID644643,,,,0.0,,,,,,,,,,,,,
COC(=O)CC1Oc2ccccc2N(Cc2ccccc2)C1=O,CID5309068,,,,,,,,,,,,,,,,0.0,
CCC1Oc2ccccc2N(Cc2ccccc2C)C1=O,CID4278807,,,,,,,,,,,0.0,,,,,,
Cc1ccc(C)c(CN2C(=O)C(C)Oc3ccc(C)cc32)c1,CID647563,,,,,,,0.0,,,,,,,,,,
CCOC(=O)c1ccc(NC(=O)NC(C)C2CCCO2)cc1,CID2955604,,,,,,,,,,,,,,,,,0.0
CC(NC(=O)Nc1ccccc1C(F)(F)F)C1CCCO1,CID2957113,,,,,,,,,0.0,,,,,,,,
O=C(NCC1CCCO1)Nc1cccc(Cl)c1,CID2788463,,,,0.0,,,,,,0.0,,,,,,0.0,0.0
CC(=O)c1cccc(NC(=O)NC(C)C2CCCO2)c1,CID3246785,,,0.0,,,,,,,,,,,,,,
COC(=O)c1ccccc1NC(=O)NCC1CCCO1,CID2956887,0.0,,,,,,0.0,,,0.0,,,,,,,
O=C(NCC1CCCO1)Nc1ccccc1,CID3138274,,,,,,,,,,,,0.0,,,,,
O=C(NCC1CCCO1)Nc1ccc(Cl)cc1,CID2788429,,,,,,,,,,0.0,,0.0,,,,,
Cc1cccc(C(C)(C)C)c1OCCn1ccnc1,CID762623,,,,,,,,,,,0.0,,,,0.0,,0.0
Clc1ccc(OCCn2ccnc2)c(Cl)c1,CID759758,,,,,,,,,,,,,,,,0.0,
C=CCc1ccccc1OCCn1ccnc1,CID762621,,,,,,,,0.0,0.0,,,,,,,,
Brc1ccc(OCCn2ccnc2)cc1,CID867248,0.0,,,,,,,,,,,0.0,,,,0.0,0.0
COc1cccc(OCCn2ccnc2)c1,CID867258,,,,0.0,,,,,,,,,0.0,,,0.0,
CC(C)c1cccc(C(C)C)c1OCCn1ccnc1,CID2998972,0.0,0.0,,,,,,,,,0.0,,,,,,
Clc1ccccc1OCCn1ccnc1,CID868433,,,,,,,0.0,,,,,,,0.0,0.0,0.0,0.0
O=C(COc1ccccc1)N1CCN(C(=O)c2cccc(F)c2)CC1,CID2166344,,,0.0,,,,,,,,,,,,,,
COc1ccc(OCC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1,CID1074727,,,,,,,,,,,,,,,0.0,,
Cc1cccc(OCC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1,CID1072097,,,,,,,,,,,,,,,0.0,,
O=C(COc1ccccc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1,CID1148040,,,,,,,,,,,,,,,0.0,,
COc1ccccc1C(=O)N1CCN(C(=O)COc2cccc(C)c2)CC1,CID647342,0.0,,,,,,0.0,,0.0,,,,,,,,
COc1ccc(OCC(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1,CID1530470,,,,,,,0.0,0.0,,,,,,,,,
O=C(COc1ccc(Cl)cc1)N1CCN(C(=O)c2cccc(F)c2)CC1,CID1147954,,,,,,,,,,,,,,,,0.0,0.0
COCC(C)OC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12,CID660841,,,,,,,,0.0,,,,,,,,,
CC(C)OC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12,CID660629,,0.0,,,,,,0.0,,0.0,,,,,,,
COCCNC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12,CID1877178,,,,,,,,,,,0.0,,,,,,
C=CCNC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12,CID1915705,,,,,,,,,0.0,,,,,,,,
CC(C)CNC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12,CID1881699,,,,,,,,,0.0,,,,,,,,
CCOC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12,CID730726,,0.0,0.0,,,,,0.0,,,,,0.0,,0.0,,
CC(C)(C)OC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12,CID661750,,,0.0,,,,0.0,,,,,,0.0,,,,0.0
COc1ccc(CNC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)cc1,CID5307289,,,0.0,0.0,,0.0,,0.0,,0.0,,,,,,,
O=C(NCc1ccccc1Cl)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1,CID5309003,0.0,,,,,,,,,,,,,,,0.0,
CCCCN(Cc1ccccc1)C(=O)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1,CID5309447,,,,,,,,,,,0.0,,,,,0.0,
CC(NC(=O)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1)c1ccccc1,CID5308284,,,0.0,,,,,0.0,,,,,,,,,
Cc1ccc(CNC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)cc1,CID5309797,,,,0.0,,,,0.0,,,,,0.0,,,,
COc1ccccc1CNC(=O)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1,CID5309617,,0.0,,,,,,,,,,,,0.0,0.0,,
COc1cccc(CNC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)c1,CID5309093,,,,,,,0.0,,,,,,,,,,
COc1cc(NC(=O)CSCC(=O)Nc2cccc(C(F)(F)F)c2)c(Cl)cc1Cl,CID1475485,,,,,,,,,,,,,,0.0,,,
CC(C)Oc1ccccc1NC(=O)CSCC(=O)Nc1ccccc1,CID573385,,,,,,0.0,,,,,,,,,,,
COC(=O)c1ccccc1NC(=O)CSCC(=O)Nc1ccccc1,CID1318990,,,,,,0.0,,,,,,,,,,,
COC(=O)c1ccccc1NC(=O)CSCC(=O)Nc1ccc(F)cc1,CID1178186,,,,,,0.0,,,,,,,,,,,
O=C(CSCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1ccccc1,CID2223086,,,,,,,,,,,,,,0.0,,,
CCOc1ccccc1NC(=O)CSCC(=O)Nc1ccccc1,CID734344,,,,,,,,,,0.0,,,,,,,
Cc1c(F)cccc1NC(=O)CSCC(=O)Nc1ccccc1,CID806776,,,,,,,,,,0.0,,,,,,,
CC(C)Cc1nnc(NC(=O)CCC(=O)Nc2ccc(F)cc2)s1,CID1399856,,,,,,0.0,,,,0.0,,,,,,,
CCCc1nnc(NC(=O)CCC(=O)Nc2ccc(F)cc2)s1,CID663975,0.0,,,,,,,0.0,,0.0,,,,,,,
CCc1nnc(NC(=O)CCC(=O)Nc2ccccc2)s1,CID663467,,0.0,,0.0,,,0.0,,0.0,,,0.0,0.0,,,,
COc1ccccc1NC(=O)CCC(=O)Nc1nnc(C(F)(F)F)s1,CID663745,0.0,0.0,,,0.0,,,0.0,,,,,,,,,0.0
COc1ccc(NC(=O)CCC(=O)Nc2nnc(C(F)(F)F)s2)c(OC)c1,CID1398618,,,,,,,,,,0.0,,,,,,,
CC(C)c1nnc(NC(=O)CCC(=O)Nc2ccc(F)cc2)s1,CID664708,0.0,,0.0,,,,,0.0,,0.0,,0.0,,,,0.0,
COc1ccc(OC)c(NC(=O)CCC(=O)Nc2nnc(C(F)(F)F)s2)c1,CID663499,,0.0,,,0.0,,,0.0,,0.0,,,,,,,0.0
CN(C)S(=O)(=O)c1cccc(C(=O)NCc2cccs2)c1,CID2675177,,,,,,,,,0.0,,0.0,,,0.0,0.0,,
CN(C)S(=O)(=O)c1ccc(C(=O)NCc2cccs2)cc1,CID2675259,,,0.0,,0.0,,,,,,0.0,,0.0,0.0,0.0,,
O=C(NCc1cccs1)c1ccccc1F,CID896320,,,,,0.0,,0.0,,,,,,,,,,
CCOc1ccc(C(=O)NCc2cccs2)cc1,CID897479,,,,,0.0,,,0.0,,0.0,,,0.0,,,,
O=C(NCc1cccs1)c1ccccc1,CID722524,,,,,,0.0,,,,,,,,,,,
O=C(NCc1cccs1)c1ccc([N+](=O)[O-])cc1Cl,CID896736,,,,,,,,,,,,,,,0.0,,
Cc1cc(C(=O)NCc2cccs2)ccc1[N+](=O)[O-],CID896358,,,,,,,,,,,,,,0.0,,,
CCC(C)Sc1nc2c(c(=O)n1C)SC(C)C2,CID4340178,,,0.0,,,,,,,,,,,,,,
CCCSc1nc2c(c(=O)n1CC)SC(C)C2,CID5095140,,,,,,0.0,,,,,,,0.0,,,,
CCSc1nc2c(c(=O)n1CC)SC(C)C2,CID3241728,,0.0,,,,,,,,,0.0,,,,,,
CCCCSc1nc2c(c(=O)n1CC)SC(C)C2,CID4144446,,,,,0.0,,,,,,,,,,,,
CCn1c(SC)nc2c(c1=O)SC(C)C2,CID3239816,,,,,,,,,,,,,,,,0.0,
CSc1nc2c(c(=O)n1C)SC(C)C2,CID3403538,,,,,,,,,,,0.0,,,,,,
CC1Cc2nc(SCC(N)=O)n(C)c(=O)c2S1,CID5147604,,0.0,,0.0,,,,,,,,,,,,,
CCCCN(CCCC)c1nc2ccccc2nc1NS(=O)(=O)c1ccc(NC(C)=O)cc1,CID2297789,,,,,,,,,,0.0,,0.0,,,,,
O=S(=O)(Nc1nc2ccccc2nc1Cl)c1ccc(Cl)cc1,CID2366510,,,,,,,,,,,,,,0.0,,,
CCC(C)Oc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1,CID2828955,,,,,,0.0,,,,,,,,,,,
CCOc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1,CID2331539,,,0.0,0.0,,,0.0,,,0.0,,,0.0,,,0.0,
CCCOc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1,CID1950319,,,,,,0.0,,,,,,,,,,,
O=S(=O)(Nc1nc2ccccc2nc1NCCO)c1cccc(Cl)c1,CID666061,0.0,0.0,,0.0,0.0,,,,,,,,,,0.0,,
O=S(=O)(Nc1nc2ccccc2nc1Cl)c1ccc(Br)cc1,CID2408978,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1Br,CID1333333,,,,,,,,,,,,,,,0.0,,
CS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c(Cl)c1,CID1480246,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccc(N2CCCCC2)cc1)c1ccccc1,CID732495,0.0,0.0,,,,,,,,,,,,,,,
COc1ccccc1C(=O)Nc1ccc(N2CCCCC2)cc1,CID880469,,,,,,,,,,,,0.0,,,,,
O=C(Nc1ccc(N2CCCCC2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1,CID1567573,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1,CID652827,,,0.0,,,,,,,,,,,,,,
COc1cccc(OC)c1C(=O)Nc1ccc(N2CCCCC2)cc1,CID954600,,,,,,,,,0.0,,,0.0,,,,,
CC1=C(C(=O)OC(C)C)C(c2cccnc2)C2=C(CC(C)(C)CC2=O)N1,CID3090127,,,,,,,,,0.0,0.0,0.0,0.0,,,,,
CC1=C(C(=O)OC(C)C)C(c2cccnc2)C2=C(CCCC2=O)N1,CID2847867,,,,,0.0,0.0,,,,,,,0.0,,,,0.0
COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1cccnc1,CID646180,,,0.0,,,,0.0,,,,,,0.0,,,,
CC1=C(C(=O)OCCOC(C)C)C(c2cccnc2)C2=C(CCCC2=O)N1,CID3138773,,,0.0,,,0.0,,0.0,,,,,0.0,0.0,0.0,,
CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1cccnc1,CID2845070,,,,0.0,0.0,,,,,,,,,,,,
CC1=C(C#N)C(c2cccnc2)C2=C(CC(C)(C)CC2=O)N1,CID2766175,,0.0,,0.0,,0.0,,0.0,,,,,,,0.0,,
CC1=C(C#N)C(c2cccnc2)C2=C(CCCC2=O)N1,CID2863214,,,,,,,,,,,,,,,0.0,,
Cc1ccc(S(=O)(=O)NC(C)C(c2cccs2)N2CCN(C)CC2)cc1,CID3238758,,,0.0,,0.0,,,,0.0,0.0,,,,0.0,,,
CC(NS(=O)(=O)c1ccc(Cl)cc1)C(c1cccs1)N1CCN(C)CC1,CID3239377,,,,,,,,,,0.0,,,,,0.0,,
CCN1CCN(C(c2cccs2)C(C)NS(=O)(=O)c2ccc(F)cc2)CC1,CID5310550,,,,,,,,,,,,,,,0.0,,
CC(NS(=O)(=O)c1ccc(Br)cc1)C(c1cccs1)N1CCN(C)CC1,CID5310120,,,,,,,,,,,0.0,,,,,,
CC(NS(=O)(=O)c1ccccc1)C(c1cccs1)N1CCN(C)CC1,CID3240790,,,0.0,,0.0,0.0,,,0.0,,,,,,,0.0,
CCN1CCN(C(c2cccs2)C(C)NS(=O)(=O)c2ccc(Br)cc2)CC1,CID3242881,,,,,,,,,0.0,,,,,,,0.0,
CC(NS(=O)(=O)c1ccc(F)cc1)C(c1cccs1)N1CCN(C)CC1,CID3242269,,,,,0.0,,,,,,0.0,,,,,,
COc1ccc(OC)c(N2C(=O)NC(=O)/C(=C\c3cccs3)C2=O)c1,CID1213577,,,,,,0.0,,,,,,,,,,,
COc1ccc(OC)c(N2C(=O)NC(=O)/C(=C\c3ccc([N+](=O)[O-])s3)C2=O)c1,CID1911668,,,,,,,,,,,,,,0.0,,,
COc1ccc(OC)c(N2C(=O)NC(=O)/C(=C/c3ccc([N+](=O)[O-])s3)C2=O)c1,CID1911669,,,,,,,,,,,,,,0.0,,,
Cc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)s1,CID2891948,,,,,,0.0,,,,,,,,,,,
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc([N+](=O)[O-])s3)C2=O)cc1,CID1907063,,,,,,,,,,,,,,0.0,,,
COc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc([N+](=O)[O-])s3)C2=O)c1,CID1904597,,,,,,,,,,,,,,,0.0,,
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(C)s3)C2=O)cc1,CID2263654,,,,,,0.0,,,,,,,,,,,
Cc1cccc(CSc2nnc(-c3ccccn3)n2N)c1,CID663240,,0.0,0.0,,,,0.0,,,,,,,,,0.0,
Cn1c(SCc2ccccc2F)nnc1-c1ccccn1,CID933879,,,,,,,,,,,,,,,0.0,,
Cn1c(SCc2ccc(F)cc2)nnc1-c1ccccn1,CID662448,0.0,0.0,,,,,,,,,,0.0,,,,,
Cc1ccc(CSc2nnc(-c3ccccn3)n2C)cc1,CID662884,,0.0,,0.0,,,,0.0,,,,,0.0,,,0.0,
Cc1ccc(C)c(CSc2nnc(-c3ccccn3)n2N)c1,CID663103,,0.0,0.0,0.0,,0.0,,0.0,,,,,0.0,0.0,,,
Cn1c(SCc2cccc(F)c2)nnc1-c1ccccn1,CID662895,,,,,,,0.0,,,,,,0.0,,,0.0,
Cc1ccccc1CSc1nnc(-c2ccccn2)n1N,CID663183,,,,,,,0.0,,,,,,,,,,
CCOc1ccccc1N1CC(C(=O)Nc2nccs2)CC1=O,CID2964458,,0.0,,0.0,0.0,,0.0,,,,,,,,,,
CCc1ccc(N2CC(C(=O)Nc3nccs3)CC2=O)cc1,CID648907,,0.0,,0.0,0.0,,,0.0,,0.0,0.0,,,,,,
Cc1c(Cl)cccc1N1CC(C(=O)Nc2nccs2)CC1=O,CID3127670,0.0,,,0.0,0.0,,,,,,0.0,0.0,,,,,0.0
COc1ccc(Cl)cc1N1CC(C(=O)Nc2nccs2)CC1=O,CID2964374,,,0.0,0.0,0.0,,,,,,,,,,,,0.0
Cc1ccc(N2CC(C(=O)Nc3nccs3)CC2=O)cc1,CID2883198,,0.0,,,0.0,,,,,,,,,,,,
Cc1ccc(N2CC(C(=O)Nc3nccs3)CC2=O)cc1Cl,CID2964317,,,,,,,,,,,,0.0,,,,,
CC(C)c1ccc(N2CC(C(=O)Nc3nccs3)CC2=O)cc1,CID2958954,,0.0,,0.0,0.0,,,,,,,,,,,,
CCC(=O)Nc1cccc(-c2nnc(SCC(=O)c3ccccc3)n2C)c1,CID1018302,,0.0,0.0,,0.0,,0.0,0.0,,0.0,0.0,,,,,,
Cn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1ccccc1N,CID650994,0.0,0.0,,,0.0,,,0.0,,0.0,0.0,,,,,,
C=CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccccc1OC,CID665093,0.0,0.0,0.0,,1.0,0.0,,,,,0.0,,,,,,0.0
CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccccc1OC,CID665183,0.0,,,,,,,,,,0.0,,0.0,0.0,0.0,0.0,
Cc1ccc(C(=O)CSc2nnc(-c3ccccc3N)n2C)cc1,CID653830,0.0,0.0,,,0.0,0.0,0.0,,,,0.0,,0.0,,0.0,,
Cc1ccc(C(=O)CSc2nnc(-c3ccccc3N)n2C)cc1C,CID3217141,,,,,,,,,,,,0.0,,,,,
Cn1c(SCC(=O)c2ccccc2)nnc1-c1cccc(N)c1,CID881297,,,,,,0.0,,,,,0.0,,,,,,
CC1(C)CC(=O)C(=CNCCc2ccc(O)cc2)C(=O)C1,CID2247137,0.0,,,0.0,0.0,,,,,0.0,0.0,0.0,,,,,0.0
COc1ccc(CCNC=C2C(=O)CC(C)(C)CC2=O)cc1,CID1894651,,,,,,,,,,,,0.0,,,,,
CC1(C)CC(=O)C(=CNCCc2ccc(S(N)(=O)=O)cc2)C(=O)C1,CID650351,,,0.0,,,,0.0,,,,0.0,0.0,,,,,
O=C1CCCC(=O)C1=CNCCc1ccccc1,CID2248605,,,,0.0,,,,,,0.0,,,,,,,
CC1(C)CC(=O)C(=CNCCc2ccccc2)C(=O)C1,CID1623663,,,,0.0,,0.0,,0.0,,,,0.0,,,,,
COc1ccc(CCNC=C2C(=O)CCCC2=O)cc1OC,CID2251417,,,,0.0,0.0,,,,,0.0,,0.0,,,,,0.0
CC1(C)CC(=O)C(=CNCC(O)c2ccccc2)C(=O)C1,CID659119,0.0,,,0.0,0.0,,,,,,,,,,,,0.0
CCOc1cccc(-c2nn3c(-c4ccco4)nnc3s2)c1,CID662842,0.0,0.0,,,0.0,,,0.0,,,,,,,,,0.0
COc1ccc(-c2nn3c(-c4ccco4)nnc3s2)cc1OC,CID661498,0.0,,,0.0,0.0,,0.0,0.0,,,,,0.0,,,,
COc1cc(OC)c(-c2nn3c(-c4ccco4)nnc3s2)cc1OC,CID662870,0.0,,0.0,,,,,,,,,,0.0,,,0.0,
COc1cc(-c2nn3c(-c4ccco4)nnc3s2)cc(OC)c1OC,CID662396,0.0,,,,,,,0.0,,,0.0,,,,,,
COc1cccc(OC)c1-c1nn2c(-c3ccco3)nnc2s1,CID662811,0.0,,0.0,0.0,,,,,,,,,,,,,
COc1cccc(-c2nn3c(-c4ccco4)nnc3s2)c1,CID663194,0.0,,,,0.0,,0.0,,,,,,,,,,
COc1ccccc1-c1nn2c(-c3ccco3)nnc2s1,CID663270,0.0,,,,0.0,0.0,,,,,,,,0.0,0.0,,
COC(=O)c1ccc(CSc2nc3ccccc3[nH]2)o1,CID2620699,,,,,,,,,,0.0,,0.0,,,,,
COC(=O)c1ccc(CSc2nc3ccc(C)cc3[nH]2)o1,CID2517861,,,,,,,,,,,,0.0,,,,,
COC(=O)c1cc(CSc2nc3ccc(C)cc3[nH]2)oc1C,CID2105573,,,,,0.0,0.0,,,,,,,,,,,0.0
COC(=O)c1cc(CSc2nc3ccccc3[nH]2)oc1C,CID2519484,,,,,,,,,,,,0.0,,0.0,,,
COC(=O)c1ccc(CSc2nc3ccc(Cl)cc3[nH]2)o1,CID2618067,,,,,,,,,,0.0,,,,0.0,,,
CCOc1ccc2nc(SCc3ccc(C(=O)OC)o3)[nH]c2c1,CID2118241,,,0.0,,0.0,,0.0,0.0,,,,,,0.0,,,
CCCCn1c(SCc2ccc(C(=O)OC)o2)nc2cc(S(N)(=O)=O)ccc21,CID2998166,,0.0,,,0.0,,0.0,,,0.0,0.0,,,,,,
O=C(O)CSc1nnc(-c2cccs2)n1-c1ccc(Cl)cc1,CID1528922,,,,,,,,,0.0,,,,0.0,,0.0,,
Cc1cccc(-n2c(SCCC(=O)O)nnc2-c2cccs2)c1C,CID1258045,0.0,0.0,0.0,0.0,0.0,,0.0,,,,,,,,0.0,,
NC(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1,CID856918,,,,,,,,,0.0,0.0,,,,,,,
COC(=O)CSc1nnc(-c2cccs2)n1-c1ccc(Cl)cc1,CID1522463,0.0,,,,,,,,0.0,,,,0.0,0.0,,,
CCOC(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1,CID746366,,,,,0.0,,0.0,,0.0,0.0,,,,0.0,,,
FC(F)Sc1nnc(-c2cccs2)n1-c1ccccc1,CID829880,,,,,0.0,,,,,,,,,,,,
CSc1nnc(-c2cccs2)n1-c1ccccc1,CID829881,,0.0,,,0.0,,0.0,,,,0.0,,0.0,0.0,0.0,,
CC(=O)Nc1ccc2nc(NC(=O)COc3ccccc3)sc2c1,CID958634,,,,,,,,,,,,,,0.0,,,
COc1ccc(OCC(=O)Nc2nc3ccc(NC(C)=O)cc3s2)cc1,CID1092966,,,,,,,,,,,,,,0.0,,,
CC(=O)Nc1ccc2nc(NC(=O)COc3ccc(C)cc3)sc2c1,CID1092962,,,,,,,,,,,,,,0.0,,,
CC(=O)Nc1ccc2nc(NC(=O)COc3cccc(C)c3)sc2c1,CID1092961,,,,,,,,,,,,,,0.0,,,
CC(=O)Nc1ccc2nc(NC(=O)COc3ccccc3C)sc2c1,CID1092960,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)cc(OCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c1,CID1075288,,,,,,0.0,,,,,,,,0.0,,,
Cc1ccc(C)c(OCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c1C,CID1189161,,,,,,0.0,,,,,,,,,,,
CCN(C(=O)Cc1ccc(Br)cc1)C1CCCCC1,CID884873,,,,,,,,,,,0.0,,,,,,
CC(=O)OC(C(=O)NC1CCCCC1)c1ccc(C)cc1,CID651616,,0.0,,0.0,,,,,,,,,,,,0.0,
CC1CCCC(NC(=O)Cc2ccc(Br)cc2)C1C,CID4602436,,,,,,,,,0.0,,,,,,,,
CN(C)C(C(=O)NC1CCCCC1)c1ccc(Cl)cc1,CID3239214,,,,,,,,,,,,,,,,0.0,
O=C(Cc1ccc(Br)cc1)NC1CCCCC1,CID842496,,,,,,,,,,,0.0,0.0,,,,,
CC(=O)OC(C(=O)NC1CCCCC1)c1ccc(C#N)cc1,CID648812,,,0.0,,0.0,,,,0.0,,0.0,,0.0,0.0,,,
CC(=O)OC(C(=O)NC1CCCCC1)c1ccccc1,CID646446,,,,,,0.0,0.0,,0.0,,,,,,,0.0,0.0
O=C1N(c2ccccc2)C2CS(=O)(=O)CC2N1c1ccc(Cl)c(Cl)c1,CID2919558,,,,,,,,,,,,,,0.0,,,
Cc1cccc(N2C(=O)N(c3ccccc3C)C3CS(=O)(=O)CC32)c1,CID2947833,,0.0,,,,,,,,,,,,,,,
COc1cccc(N2C(=O)N(c3ccccc3)C3CS(=O)(=O)CC32)c1,CID2921242,,,,,,0.0,,0.0,,,,,,,,0.0,
COc1cccc(N2C(=O)N(c3ccccc3Cl)C3CS(=O)(=O)CC32)c1,CID2937329,,0.0,0.0,,0.0,,,,,,,,,,,,
Cc1ccccc1N1C(=O)N(c2cccc(C(F)(F)F)c2)C2CS(=O)(=O)CC21,CID652998,0.0,,,,0.0,,,,,,,,,,,,0.0
O=C1N(c2ccccc2)C2CS(=O)(=O)CC2N1c1ccc(Br)cc1,CID2945773,0.0,,,,,,,,0.0,,,,,,,,
Cc1cc(C)cc(N2C(=O)N(c3ccccc3C)C3CS(=O)(=O)CC32)c1,CID2976075,,,,,,,,0.0,,0.0,,,,,,,
COc1ccccc1OCCCn1c(=O)oc2ccccc21,CID2239980,,,,,,,0.0,,0.0,,0.0,,0.0,0.0,0.0,0.0,
Cc1ccc2oc(=O)n(CCCOc3ccccc3)c2c1,CID649563,,,,0.0,,,0.0,,0.0,,,,,,0.0,0.0,
COc1ccccc1OCCCn1c(=O)oc2ccc(C)cc21,CID653924,,,,,,0.0,,0.0,,0.0,,,,,0.0,,
COc1ccc(OCCCn2c(=O)oc3ccccc32)cc1,CID3153323,,,,,,,,,0.0,,0.0,,,,,,
Cc1ccc(OCCCn2c(=O)oc3ccccc32)cc1,CID2129996,,,,,,,,,,,,,,0.0,,,
O=c1oc2ccccc2n1CCCOc1ccccc1,CID1630760,,,0.0,,,,,,,,,,0.0,0.0,,0.0,
Cc1ccc2oc(=O)n(CCCOc3ccccc3C)c2c1,CID2130277,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(-n2nnnc2SCC(=O)c2ccccc2)cc1,CID659783,0.0,,0.0,0.0,,,0.0,,,,0.0,,0.0,,,0.0,0.0
COc1ccc(-n2nnnc2SCC(=O)c2ccc(OC)c(OC)c2)cc1,CID2617712,,0.0,,,,,,,,,,,,,,0.0,
COc1ccc(-n2nnnc2SCC(=O)c2cccc(OC)c2)cc1,CID651816,0.0,,,0.0,,,0.0,0.0,,0.0,0.0,,,,,0.0,
COc1cccc(-n2nnnc2SCC(=O)c2ccc(NC(C)=O)cc2)c1,CID651370,,0.0,0.0,,,,,0.0,,,,,0.0,,,0.0,
COc1ccc(OC)c(C(=O)CSc2nnnn2-c2ccc(OC)c(OC)c2)c1,CID648613,,,,,,,,,,,,0.0,0.0,,,,
COc1cccc(-n2nnnc2SCC(=O)c2cc(OC)ccc2OC)c1,CID649108,,,,,,,0.0,,,,0.0,,,,0.0,,
COc1ccc(-n2nnnc2SCC(=O)c2ccc(O)c(O)c2)cc1,CID1515366,,0.0,,,,,,0.0,,,,,,0.0,,0.0,
CC(=O)N(C1=NCCCS1)c1ccccc1Cl,CID1431151,,,,,,,,,,,,,,0.0,,,
Cc1cccc(C)c1NC1=NCCCS1,CID5707,,,,,0.0,0.0,,0.0,,,,,,,,,
Cc1ccccc1NC1=NCCCS1,CID2384869,,,,0.0,0.0,,,,,,,,,,,,
CC(=O)N(C1=NCCCS1)c1ccc(F)cc1,CID645966,,,,0.0,0.0,,,,,,,,,,,,
Cc1cccc(NC2=NCCCS2)c1C,CID645294,,,0.0,0.0,0.0,,,,,,,,,,,,
CC(=O)N(C1=NCCCS1)c1ccccc1F,CID646627,,0.0,,0.0,,,0.0,,,,,,,,0.0,,
Cc1ccc(C)c(NC2=NCCCS2)c1,CID921158,,,,,0.0,,,,,,,,,,,0.0,
COc1ccc(N2CCN(Cc3cc(=O)oc4cc(C)c(Cl)cc34)CC2)cc1,CID2091540,0.0,,,,,,,,,,,,,,,,0.0
CC(C)c1ccc2oc(=O)cc(CN3CCN(c4ccc(F)cc4)CC3)c2c1,CID665541,,,0.0,,,,,,,,,0.0,,,,,
COc1ccc(N2CCN(Cc3cc(=O)oc4ccc(C)cc34)CC2)cc1,CID2025978,,,,,,0.0,,,,,,0.0,,,,,
COc1ccc(N2CCN(Cc3cc(=O)oc4cc(C)c(Cl)c(C)c34)CC2)cc1,CID665507,0.0,,,,,,,,,,,,,,0.0,,
COc1ccc(N2CCN(Cc3cc(=O)oc4ccc(Cl)cc34)CC2)cc1,CID665923,0.0,,,,,,0.0,,,,,,,,,0.0,0.0
CCc1ccc2oc(=O)cc(CN3CCN(c4ccc(F)cc4)CC3)c2c1,CID665648,,,,,,,,0.0,,,,,,,,,
CC(C)c1ccc2oc(=O)cc(CN3CCN(c4ccccc4)CC3)c2c1,CID665738,,,,,,,0.0,0.0,,,,,,,,,
COC(=O)C1CCN(C(=O)c2sc3nc(-c4ccc(F)cc4)cn3c2C)CC1,CID3244237,0.0,0.0,,,0.0,,,0.0,,,,,,,,,0.0
COC(=O)C1CCN(C(=O)c2sc3nc(-c4ccccc4)cn3c2C)CC1,CID3239381,0.0,,,0.0,0.0,0.0,,,,,,,,,,,
CCOC(=O)C1CCCN(C(=O)c2sc3nc(-c4ccc(OC)cc4)cn3c2C)C1,CID3236149,,,0.0,,0.0,0.0,,,,,,,,,,,
CCOC(=O)C1CCN(C(=O)c2sc3nc(-c4ccccc4)cn3c2C)CC1,CID3240100,0.0,,,,0.0,0.0,,,,,0.0,,,,,,0.0
CCOC(=O)C1CCCN(C(=O)c2sc3nc(-c4ccc(F)cc4)cn3c2C)C1,CID3242214,0.0,,,,,,,,,0.0,,,,,,,0.0
CCOC(=O)C1CCN(C(=O)c2sc3nc(-c4ccc(F)cc4)cn3c2C)CC1,CID3241552,0.0,,0.0,,0.0,,,,,,0.0,0.0,,,,,0.0
CCOC(=O)C1CCCN(C(=O)c2sc3nc(-c4ccccc4)cn3c2C)C1,CID3242192,0.0,,,,0.0,0.0,0.0,,,,,,,,,,0.0
OCCOCCNc1ncnc2sc(-c3ccccc3)cc12,CID1587997,,,,,,,,,0.0,,,0.0,,,,,
CC(C)N(C(=O)CSc1ncnc2sc(-c3ccccc3)cc12)C(C)C,CID2101735,,,,,,,,,,0.0,,,,,,,
COc1ncnc2sc(-c3ccccc3)cc12,CID1039883,,,0.0,,,,,,,,,,,,0.0,,
CCN(CC)C(=O)CSc1ncnc2sc(-c3ccccc3)cc12,CID1190235,,,,,,,,,,0.0,,,,,0.0,,
O=C(O)CSc1ncnc2sc(-c3ccccc3)cc12,CID725214,,,,,,,,,,,,,,,0.0,,
COCCNC(=O)CSc1ncnc2sc(-c3ccccc3)cc12,CID2088350,,,,,,,,,,,,,,,0.0,,
CN(CCC#N)C(=O)CSc1ncnc2sc(-c3ccccc3)cc12,CID2079932,0.0,0.0,0.0,,0.0,,0.0,,,0.0,,,,,,,0.0
Cn1c(SCC(=O)N2CCOCC2)nnc1-c1ccc(Cl)cc1Cl,CID660653,0.0,,,0.0,,,,,,,,,,,,,
COc1ccc(-c2nnc(SCC(=O)N3CCOCC3)n2N)cc1,CID734995,,0.0,,,,,,,,,,,,,0.0,,
Cn1c(SCC(=O)N2CCOCC2)nnc1-c1ccccc1,CID844176,,0.0,,0.0,,,,,,,,,0.0,,,,
CC1CN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)CC(C)O1,CID2997827,0.0,,0.0,0.0,0.0,,,,,,0.0,0.0,,,0.0,,0.0
Nn1c(SCC(=O)N2CCOCC2)nnc1-c1ccc(Cl)cc1Cl,CID2113124,0.0,,,,,,,,,,,,,,,,0.0
COc1ccc(-c2nnc(SCC(=O)N3CCOCC3)n2C)cc1OC,CID1071747,,,,,,,,,,,0.0,,,,,,
Nn1c(SCC(=O)N2CCOCC2)nnc1-c1ccccc1Cl,CID1179063,,,,,,,,,,,0.0,0.0,,,0.0,,
O=C(COC(=O)c1ccc([N+](=O)[O-])s1)Nc1ccccc1,CID2401195,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])s2)c(C)c1,CID2378433,,,,,,,,,,,,,,,0.0,,
O=C(COC(=O)c1cccs1)Nc1ccccc1,CID1078163,,,0.0,,0.0,,,,,,,,,0.0,,,
CC(=O)c1cccc(NC(=O)COC(=O)c2cccs2)c1,CID2353604,,,,,,,,,,,,,,0.0,,,
COc1ccccc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])s1,CID2097446,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)c(NC(=O)COC(=O)c2ccc([N+](=O)[O-])s2)c(C)c1,CID2402260,,,,,,,,,,,,,,0.0,,,
CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2cccs2)c1,CID4464088,,,,,,,,,,,,,,,0.0,,
CC(C)OC(=O)CSc1ncnc2c1cnn2Cc1ccccc1,CID665691,0.0,0.0,,,,0.0,0.0,,0.0,0.0,0.0,,0.0,,,,
NC(=O)CSc1ncnc2c1cnn2Cc1ccccc1,CID2037560,,,,,,,,,,,,0.0,,,,,
CCN(CC)C(=O)CSc1ncnc2c1cnn2Cc1ccccc1,CID665455,,,,,0.0,,,0.0,,,,,,,,0.0,
CCC(C)Nc1ncnc2c1cnn2Cc1ccc(Cl)cc1,CID3256374,,0.0,,,,,,,,,0.0,0.0,,,,,
COCCNc1ncnc2c1cnn2Cc1ccc(Cl)cc1,CID1784167,0.0,0.0,,,,,0.0,,,,,,,,0.0,,
COC(=O)CSc1ncnc2c1cnn2Cc1ccccc1,CID664973,,0.0,0.0,0.0,,0.0,0.0,,0.0,,0.0,,0.0,,,0.0,
CCOC(=O)CNC(=O)CSc1ncnc2c1cnn2Cc1ccccc1,CID665742,,0.0,,,,,,,0.0,,,,,,,0.0,0.0
CCN(CC)C(=O)CSc1nnc2sc3ccccc3n12,CID2612661,0.0,0.0,0.0,,,,0.0,,,,,,,,,,
O=S(=O)(O)c1nnc2sc3ccccc3n12,CID653652,,,,,,,,,,,,,0.0,,,,
CN(C)CCSc1nnc2sc3ccccc3n12,CID888955,0.0,,,,,,0.0,,,,,,0.0,,,,
CN(C)C(=O)CSc1nnc2sc3ccccc3n12,CID2055475,0.0,,0.0,,,,0.0,,,,,,0.0,,,,
CC(C)NC(=O)CSc1nnc2sc3ccccc3n12,CID2612650,0.0,0.0,0.0,0.0,,,0.0,,,,,,,,0.0,,
CCOC(=O)CC(=O)CSc1nnc2sc3ccccc3n12,CID660612,0.0,,0.0,,,,0.0,,,0.0,0.0,,,,,,
NC(=O)CSc1nnc2sc3ccccc3n12,CID2383579,0.0,,,,,,,,,,,,,,,,0.0
COc1ccc(C(=O)NCCn2ccc3ccccc32)c(OC)c1,CID3241267,,,,,0.0,,,0.0,,,,,,,,,0.0
COc1cccc(C(=O)NCCn2ccc3ccccc32)c1,CID4550499,,,,,0.0,,0.0,,,,,,,,,0.0,
COc1cc(OC)cc(C(=O)NCCn2ccc3ccccc32)c1,CID3520063,,,,,0.0,,,,,,,,0.0,,,,
COc1ccc(C(=O)NCCn2ccc3ccccc32)cc1,CID3236755,,,,0.0,0.0,,,0.0,,,,0.0,,,,0.0,0.0
COc1ccc(C(=O)NCCn2ccc3ccccc32)cc1OC,CID4097145,,,,,0.0,,0.0,,,,,,0.0,,,0.0,
Cc1cc2ccccc2n1CCNC(=O)c1ccccc1,CID3241951,,,,,0.0,1.0,,,,0.0,,,,,,0.0,
COc1ccccc1C(=O)NCCn1ccc2ccccc21,CID3240503,,,,,0.0,,,0.0,,0.0,,,,,,0.0,
CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1cc2c(cc1Br)OCO2,CID649784,0.0,,,,,,0.0,,,,,,,,,,
C=CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccc2c(c1)OCO2,CID534382,0.0,,,0.0,0.0,,0.0,0.0,,,,0.0,,,,,
CC(C)(C)C1=C(C#N)C(c2ccc3c(c2)OCO3)C(C#N)=C(N)O1,CID660213,,,,0.0,,,,,0.0,,,,,,,0.0,
COC(=O)CC1=C(C(=O)OC)C(c2ccc3c(c2Cl)OCO3)C(C#N)=C(N)O1,CID658369,,,,0.0,,,,,,,0.0,,,,,,
CC(C)(C)C1=C(C#N)C(c2cc3c(cc2Br)OCO3)C(C#N)=C(N)O1,CID660200,0.0,,,,,,0.0,,0.0,,,,,,,0.0,0.0
CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1cc(OC)c2c(c1)OCO2,CID647997,0.0,0.0,,,0.0,,,,,,,,,,,,
COCCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccc2c(c1)OCO2,CID2864862,0.0,0.0,0.0,,0.0,,,,,,,,,,,,
O=C(COc1ccc(Br)cc1)NCc1ccccn1,CID748738,,,,,,,,,0.0,,,,,,0.0,,
O=C(COc1ccc(F)cc1Br)NCc1ccccn1,CID2524957,0.0,,,,,,,,0.0,,0.0,,,,,0.0,0.0
O=C(COc1ccccc1Br)NCc1ccccn1,CID2225555,,,,,,,,,0.0,,0.0,0.0,,,0.0,,
Cc1ccc(OCC(=O)NCc2ccccn2)cc1,CID564290,,,,0.0,0.0,0.0,,,,,,,0.0,,,0.0,0.0
Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)NCc1ccccn1,CID1243316,,,,0.0,,,,0.0,,,,,,,,0.0,
Cc1ccc(OCC(=O)NCc2ccccn2)c(Br)c1,CID740886,0.0,,,,,,0.0,,0.0,,0.0,0.0,,,,0.0,0.0
O=C(COc1ccccc1)NCc1ccccn1,CID853197,,,,,,0.0,,,,,,,,,,,
CCCCn1c(CN2CCN(C(=O)c3ccco3)CC2)nc2c1c(=O)n(C)c(=O)n2C,CID4416213,0.0,0.0,,,,,,,,,,,,,,,
CCn1c(CN2CCN(C(=O)c3ccco3)CC2)nc2c1c(=O)n(C)c(=O)n2C,CID666725,,0.0,,0.0,,,,,,,,,,,,,
CC(C)CCn1c(CN2CCN(C(=O)c3ccco3)CC2)nc2c1c(=O)n(C)c(=O)n2C,CID4894361,0.0,,,,,,,,,,,,,,,,
CCCn1c(CN2CCN(C(=O)c3ccco3)CC2)nc2c1c(=O)n(C)c(=O)n2C,CID3669496,,0.0,,,,,,,,,,0.0,,,,,0.0
Cn1c(=O)[nH]c(=O)c2[nH]c(CN3CCN(C(=O)c4ccco4)CC3)nc21,CID667041,,,,0.0,,,,,,,,,,,,,
CCCCCn1c(CN2CCN(C(=O)c3ccco3)CC2)nc2c1c(=O)n(C)c(=O)n2C,CID4459613,0.0,,,0.0,,,,,,,,,,,,,
CCCCCCn1c(CN2CCN(C(=O)c3ccco3)CC2)nc2c1c(=O)n(C)c(=O)n2C,CID5077322,0.0,,,,,,,,,,,,,,,,
CCC(CC)C(=O)Nc1nnc(-c2cccs2)s1,CID645787,0.0,,,,0.0,,,,,0.0,,,0.0,0.0,,,
C=C(C)C(=O)Nc1nnc(-c2cccs2)s1,CID898899,,,,,,,,,,,,,,,0.0,,
CC(C)(C)CC(=O)Nc1nnc(-c2cccs2)s1,CID648154,0.0,,,,0.0,,0.0,,,0.0,,,0.0,,0.0,,
COCC(=O)Nc1nnc(-c2cccs2)s1,CID649189,,0.0,0.0,,,,0.0,,0.0,0.0,,,0.0,,0.0,,
CCC(=O)Nc1nnc(-c2cccs2)s1,CID977537,,,,,,,,,,,,,,,0.0,,
Nc1nnc(-c2cccs2)s1,CID644639,,,0.0,,,,,,,,,,0.0,,,,
CCC(C)C(=O)Nc1nnc(-c2cccs2)s1,CID654028,0.0,0.0,,,0.0,,,,,,0.0,,,0.0,0.0,,
Cc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)cc1,CID789810,,,,,,,,,,0.0,0.0,,,0.0,,,
O=S(=O)(Nc1ccc(N2CCOCC2)cc1)c1ccccc1,CID789812,,,,,,,,,,,0.0,,,0.0,,,
COc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-],CID2880813,,,,,,,,,,,,,,,0.0,,
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)c(F)c2)cc1,CID659430,,,,,,,,0.0,,0.0,,,0.0,0.0,,,0.0
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)cc1,CID2355657,,,,,,,,,,,,0.0,,0.0,,,0.0
CSc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)cc1,CID1252109,,,0.0,0.0,,,,,0.0,,,,,0.0,,,
COc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)cc1Br,CID4879792,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1N1C(=O)c2cccc3c(N(C)CCO)ccc(c23)C1=O,CID1101821,,,,,0.0,0.0,,,0.0,,0.0,0.0,,,,,
CN(C)c1ccc2c3c(cccc13)C(=O)N(c1ccccc1)C2=O,CID739439,,,,,,,,,,,,,,0.0,,,
Cc1cccc(N2C(=O)c3cccc4c(N(C)CCO)ccc(c34)C2=O)c1,CID1108556,,,0.0,,0.0,0.0,,0.0,0.0,,,0.0,,,,,
COc1ccc([N+](=O)[O-])cc1N1C(=O)c2cccc3cccc(c23)C1=O,CID879172,,,,,,,,,,,,,,,0.0,,
COc1ccccc1N1C(=O)c2cccc3c(C(=O)O)ccc(c23)C1=O,CID786781,,,,,,,,,,,,0.0,,,,,
Cc1ccc(C(=O)O)cc1N1C(=O)c2cccc3cc(Br)cc(c23)C1=O,CID1202882,,,,,,,,,,,,0.0,,,,,
Cc1ccc(N2C(=O)c3cccc4c(C(=O)O)ccc(c34)C2=O)cc1,CID708441,,,,,,,,,,,,,,,0.0,,
O=C(c1ccco1)N(Cc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1,CID1117417,,,,,,,,,,,,,,,0.0,,
O=C(c1ccco1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1,CID1117371,,,,,,,,,,,,0.0,,,,,
COc1ccc(CN(C(=O)c2ccco2)c2ccc(Br)cc2)cc1OC,CID654555,0.0,,,,,,,,0.0,,,,,,0.0,,0.0
O=C(c1ccco1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1,CID1117372,,,,,,0.0,,,,,,,,,,,
COc1ccc(CN(C(=O)c2ccco2)c2ccc(C)cc2)cc1OC,CID652779,0.0,,,,,,,,,,,,,,,,
COc1cc(CN(C(=O)c2ccco2)c2ccc(C)cc2)ccc1O,CID753712,,,,,,,0.0,,,,,,,,,,
CCOc1ccc(N(Cc2ccc(OC)cc2)C(=O)c2ccco2)cc1,CID1132888,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OC,CID1108159,,,,0.0,,,,,,0.0,0.0,,,0.0,0.0,0.0,
CC(C)COc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1,CID2943076,,,0.0,,0.0,,,,,0.0,0.0,,0.0,,,0.0,0.0
CCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1,CID653036,,,,,,,,0.0,,0.0,,,0.0,0.0,,0.0,
CCOc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc(OCC)c1OCC,CID655648,,,,,0.0,,,,,0.0,0.0,,,,0.0,0.0,
COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1,CID1085591,,0.0,,,,,0.0,,,0.0,0.0,,0.0,,,0.0,
O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Cl)cc1,CID997370,0.0,0.0,,0.0,0.0,,,,,,,,,,,,0.0
CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OCC,CID648563,0.0,,,,0.0,,,0.0,,,,,,,0.0,,
CCCC(C)n1[nH]c(=O)c2c(C)cc(C)nc21,CID2947675,,,,,,,,,,,,,,,,0.0,
CCCCCC(C)n1[nH]c(=O)c2c(C)cc(C)nc21,CID2969940,,,0.0,,,0.0,,0.0,,,,,0.0,,,0.0,
CCC(C)n1[nH]c(=O)c2c(C)cc(C)nc21,CID647433,,,,0.0,,,,0.0,,,,,,,,0.0,
O=c1[nH][nH]c2nc(C(F)(F)F)cc(C(F)(F)F)c12,CID1262956,,,,,,,,,0.0,,,,,,,,
Cc1cc(C)c2c(=O)[nH]n(C(C)C)c2n1,CID652826,,,,0.0,,,,0.0,,,,,,,,,
CCCC(CCC)n1[nH]c(=O)c2c(C)cc(C)nc21,CID945786,,,,,,0.0,,0.0,,,,0.0,,,,0.0,
CCC(CC)n1[nH]c(=O)c2c(C)cc(C)nc21,CID757651,,,,,,,,,,,,,,,,0.0,
COC1=CC=C/C(=C2\N=C(NC(C)C)c3ccccc3N2)C1=O,CID5389589,,,,,,0.0,,0.0,,,,,,,,,
CC(C)OC1=N/C(=C2\C=CC=CC2=O)Nc2ccccc21,CID5389136,,,,,,,,,,0.0,,,,,,,
COC1=CC=C/C(=C2\N=C(NC(C)(C)C)c3ccccc3N2)C1=O,CID5389490,,,,,,,0.0,,,,,,,,,,
CCC(C)NC1=N/C(=C2\C=CC=C(OC)C2=O)Nc2ccccc21,CID5389362,,0.0,0.0,0.0,,,,0.0,,,,,,,,,
CCOC1=N/C(=C2\C=CC=CC2=O)Nc2ccccc21,CID5771465,,,,,,,0.0,,,,,,,,,,
C=CCNC1=N/C(=C2\C=CC=C(OC)C2=O)Nc2ccccc21,CID5389528,,0.0,,,,0.0,,0.0,,,,,,,0.0,,
CCN(CC)C1=N/C(=C2\C=CC=C(OC)C2=O)Nc2ccccc21,CID5389396,,,,,,,,,,,,,,,,,0.0
CCCCN(C)C(=O)C1CCC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1c1ccc(OC)cc1,CID3244065,,,,,,,,,,,,,0.0,0.0,,,0.0
CCC(C)NC(=O)C1CCC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1c1ccc(OC)cc1,CID3236771,,,0.0,,,,,,,0.0,,,,,,,
COc1ccc(C2C(C(=O)O)CCC(=O)N2c2ccc(OC)cc2)cc1,CID4386571,,,,,,,,,0.0,,,,,,,,
CCNC(=O)COC(=O)C1CCC(=O)N(c2ccc(OC)cc2)C1c1ccc(OC)cc1,CID4882684,,,,,,0.0,,,,,,,,,,,
CCN(CC)CCCNC(=O)C1CCC(=O)N(c2ccc(OC)cc2)C1c1ccc(F)cc1,CID3238081,,,,,,0.0,,,,,,,0.0,,,,
CCCCN(CC)C(=O)C1CCC(=O)N(c2ccc(OC)cc2)C1c1ccc(OC)c(OC)c1,CID3244576,,,,,0.0,,,,,,,,,,,,
COc1ccc(N2C(=O)CCC(C(=O)O)C2c2ccc(F)cc2)cc1,CID3244244,,,,,,0.0,,0.0,,,,,0.0,,,,
CCOc1ccc(NC(=S)NCc2ccco2)cc1,CID759714,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC(=S)N(CCN(C)C)C(C)c2ccco2)cc1,CID5077639,,,,,,,,,,,,,,,0.0,,
COCCN(C(=S)Nc1cc(C)cc(C)c1)C(C)c1ccco1,CID3432975,,,,,,,,,,,,,,0.0,,,
COc1ccc(NC(=S)NCc2ccco2)c(OC)c1,CID799853,,,,,,0.0,,,,,,,,,,,
CCOc1cc(NC(=S)NCc2ccco2)c(OCC)cc1NC(=O)CC,CID1175837,,,,,,,,,,,,,,0.0,,,
COc1ccc(Cl)cc1NC(=S)NCc1ccco1,CID1851524,,,,,,,,,,0.0,,,,,,,
FC(F)Oc1ccccc1NC(=S)NCc1ccco1,CID843579,,,,,,,,,,0.0,,,,,,,
Cc1nc2sc(C(c3cccc(F)c3)N3CCN(C(=O)c4ccco4)CC3)c(O)n2n1,CID3242833,0.0,,,,,,0.0,,,,,,,,,0.0,
COc1cccc(C(c2sc3ncnn3c2O)N2CCN(C(=O)c3ccco3)CC2)c1,CID4201690,,,,,,,0.0,0.0,,,0.0,,,,,,0.0
Cc1nc2sc(C(c3ccc(F)cc3)N3CCN(C(=O)c4ccco4)CC3)c(O)n2n1,CID3244201,0.0,,0.0,,,,0.0,0.0,,,,,,,,0.0,
COc1cccc(C(c2sc3nc(C)nn3c2O)N2CCN(C(=O)c3ccco3)CC2)c1,CID4152247,,,,,,,,,,,,,,,0.0,0.0,
Cc1nc2sc(C(c3ccccc3)N3CCN(C(=O)c4ccco4)CC3)c(O)n2n1,CID3236038,,,,0.0,,,,0.0,,,,,,,,0.0,0.0
Cc1ccc(C(c2sc3nc(C)nn3c2O)N2CCN(C(=O)c3ccco3)CC2)cc1,CID3244275,,0.0,,,,,,,,,,,,,,0.0,
Cc1nc2sc(C(c3ccc(Cl)cc3)N3CCN(C(=O)c4ccco4)CC3)c(O)n2n1,CID3241554,0.0,0.0,,0.0,0.0,,,,,,,0.0,,,,,0.0
CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCOCC3)cc2)cc1,CID1257531,,,,,,,0.0,,0.0,,,,0.0,,,,
COc1ccc(OC)c(NC(=O)c2ccc(CN3CCOCC3)cc2)c1,CID1106324,0.0,,,,,,0.0,0.0,0.0,,,,,,,,
CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(CN3CCOCC3)cc2)cc1,CID2207528,,,,,,,,,0.0,,,,,,0.0,,
CC(C)CNC(=O)c1ccccc1NC(=O)c1ccc(CN2CCOCC2)cc1,CID982895,0.0,,,,,,,0.0,0.0,,,0.0,,,,0.0,0.0
COc1cccc(NC(=O)c2ccc(CN3CCOCC3)cc2)c1,CID655500,0.0,,,0.0,,,0.0,,0.0,,,,0.0,,,,
COc1ccccc1NC(=O)c1ccc(CN2CCOCC2)cc1,CID869146,0.0,,0.0,0.0,,,0.0,,0.0,,,,,,,,
COC(=O)c1ccc(NC(=O)c2ccc(CN3CCOCC3)cc2)cc1,CID2211303,0.0,,,,,,,,0.0,0.0,,,,,0.0,,
O=C(CSc1ccc2nnc(-c3ccccc3)n2n1)NCc1ccco1,CID3239237,0.0,0.0,,,0.0,,0.0,,,,,,,,,0.0,
CCOc1ccc(-c2nnc3ccc(SCC(=O)NCc4ccco4)nn23)cc1,CID3238499,0.0,,,,,,,0.0,,,0.0,,,,,,
Cc1ccc(-c2nnc3ccc(SCC(=O)NCc4ccco4)nn23)cc1,CID3235860,0.0,0.0,,,0.0,,0.0,0.0,0.0,,0.0,,,,,0.0,0.0
O=C(CSc1ccc2nnc(-c3cccc(F)c3)n2n1)NCc1ccco1,CID3239278,0.0,0.0,,,0.0,,,,,0.0,0.0,0.0,,,,0.0,
COc1ccc(-c2nnc3ccc(SCC(=O)NCc4ccco4)nn23)cc1OC,CID3235742,0.0,,0.0,,,0.0,,,,,,,,,,0.0,
O=C(CSc1ccc2nnc(-c3ccc(F)cc3)n2n1)NCc1ccco1,CID3235873,0.0,,,,0.0,,,0.0,,,0.0,,,,,0.0,
COc1ccc(-c2nnc3ccc(SCC(=O)NCc4ccco4)nn23)cc1,CID3240688,0.0,0.0,,0.0,,0.0,0.0,0.0,,,,,,,,0.0,
CC(Nc1ncnc2sc3c(c12)CCC3)C(=O)O,CID1419787,,,,,,,,,0.0,,,,,,,,
O=C(O)CSc1ncnc2sc3c(c12)CCC3,CID3149629,,,,,,0.0,,,,,,,,,0.0,,
N#CCSc1ncnc2sc3c(c12)CCC3,CID2999160,,,,,,,0.0,,,,,,0.0,,,,
C=C(C)CSc1nc(N)c2c3c(sc2n1)CCC3,CID658279,,0.0,0.0,,,,,,,,,,,,,,
Nc1nc(SCC(=O)NCCCO)nc2sc3c(c12)CCC3,CID2920098,,,,,,,,,,0.0,,,,,,,
CC(C#N)Sc1ncnc2sc3c(c12)CCC3,CID2997617,,,,,,,0.0,,,0.0,,,0.0,,,,
Cc1nc(SCC#N)c2c3c(sc2n1)CCC3,CID2967661,,,,,,,,,,0.0,,0.0,,,,,
C=CCNc1nnc(SC2CC(=O)N(c3ccc(OCCC)cc3)C2=O)s1,CID4876409,,,,,,0.0,,,,,,,,,,,
C=CCNc1nnc(SC2CC(=O)N(c3ccc(OC)cc3)C2=O)s1,CID661865,,0.0,0.0,0.0,0.0,,0.0,,,,,,,0.0,,,0.0
Cc1nnc(SC2CC(=O)N(c3ccccc3)C2=O)s1,CID3125498,,,,,,,,,0.0,0.0,,,,,,,
CCOC(=O)c1ccc(N2C(=O)CC(Sc3nnc(C)s3)C2=O)cc1,CID658159,,0.0,,,0.0,,,,,,,,0.0,,,,
COc1ccc(N2C(=O)CC(Sc3nnc(N)s3)C2=O)cc1,CID2888938,,,,,,0.0,,,,,,,,,,,
Nc1nnc(SC2CC(=O)N(c3ccccc3)C2=O)s1,CID2921504,,,,,,0.0,,,0.0,0.0,,,,,,,
Cc1cccc(N2C(=O)CC(Sc3nnc(C)s3)C2=O)c1,CID2916046,,,,,,,,,0.0,,,,,0.0,0.0,,
CCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)c1ccncc1,CID663452,,,0.0,,0.0,,,0.0,0.0,,,,0.0,,,,
COc1ccc2[nH]c(=O)c(CN(C(=O)c3ccncc3)C(C)(C)C)cc2c1,CID664893,,,0.0,0.0,0.0,,,0.0,0.0,,,0.0,,,,,
CCCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)c1ccncc1,CID664796,,0.0,0.0,,0.0,,0.0,0.0,0.0,0.0,0.0,,,,,,
Cc1ccc2cc(CN(C(=O)c3ccncc3)C(C)C)c(=O)[nH]c2c1,CID664960,,0.0,0.0,,0.0,0.0,,,0.0,,,0.0,,,,,
COc1ccc2[nH]c(=O)c(CN(C)C(=O)c3ccncc3)cc2c1,CID663370,,0.0,,0.0,0.0,,,,,,,0.0,0.0,,,,
COc1ccc2[nH]c(=O)c(CN(C(=O)c3ccncc3)C(C)C)cc2c1,CID664778,,,,,0.0,,0.0,,0.0,,,,0.0,,,,
CCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1ccncc1,CID664157,,0.0,0.0,0.0,0.0,0.0,,,0.0,,,0.0,0.0,,0.0,,
CC(Oc1ccccc1)C(=O)NCc1cccnc1,CID650967,,0.0,,0.0,,0.0,,,,0.0,,,0.0,,,0.0,
COc1ccc(OC(C)C(=O)NCc2cccnc2)cc1,CID2952092,,,,,,,0.0,0.0,,,,,,,,,
Cc1ccccc1OC(C)C(=O)NCc1cccnc1,CID2977532,,,,,,,,,,,,,,,0.0,,
CCC(Oc1ccccc1)C(=O)NCc1cccnc1,CID2932795,,,0.0,,0.0,,,0.0,,,,0.0,0.0,,,0.0,0.0
COc1ccc(OCC(=O)NCc2cccnc2)cc1,CID623308,,,,,,,,,,,,0.0,0.0,,,0.0,0.0
CC(C)NS(=O)(=O)c1ccc(OCC(=O)NCc2cccnc2)cc1,CID1084697,,,,,,,,,0.0,,,,,0.0,,0.0,
CCC(C)NS(=O)(=O)c1ccc(OCC(=O)NCc2cccnc2)cc1,CID647393,,,,,,,0.0,,0.0,,,,,,,,
CCOc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)cc1,CID5307497,,,,,,,,,,,,,0.0,,,,
CCOc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)nn(C)c3C)C2)cc1,CID5309213,,,,0.0,,,,,,,,,,,,,
COc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)c(OC)c1,CID3235722,,,0.0,0.0,0.0,,,,,,,,,,,,0.0
CCOC(=O)c1cccc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)nn(C)c3C)C2)c1,CID5309569,,,0.0,,,,,,,,,,,,,,
CCOc1ccc(OCC)c(NC(=O)C2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)c1,CID5307276,,,,,,,,,,,,,,,,0.0,
COc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)cc1,CID3239716,,0.0,,0.0,,,,,,,,,,,,,
CCOC(=O)c1cccc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)c1,CID3236738,,,,0.0,0.0,,,,0.0,,,0.0,,,,,0.0
O=C(CN1C(=O)CCS(=O)(=O)c2ccccc21)Nc1cccc(Cl)c1,CID3240717,,,,,,,,,,0.0,,,,,,,0.0
CCN(CC)c1ccc(NC(=O)CN2C(=O)CC(C)(C)S(=O)(=O)c3ccccc32)c(C)c1,CID5308102,,,0.0,,,,,0.0,,,,,,,,,
COc1ccccc1NC(=O)CN1C(=O)CCS(=O)(=O)c2ccccc21,CID3241600,,,,,,,,0.0,,,,,,,,,
COc1ccc(NC(=O)CN2C(=O)CC(C)(C)S(=O)(=O)c3ccccc32)cc1,CID5309631,,,,0.0,,,,0.0,,,,0.0,0.0,,,,
CCOC(=O)c1ccccc1NC(=O)CN1C(=O)CCS(=O)(=O)c2ccccc21,CID3237899,,,0.0,,0.0,,,,0.0,0.0,0.0,,,,,,
COc1ccc(Cl)cc1NC(=O)CN1C(=O)CCS(=O)(=O)c2ccccc21,CID3238771,,,,,,,,,,,,,,,,,0.0
COc1ccc(Cl)cc1NC(=O)CN1C(=O)CC(C)S(=O)(=O)c2ccccc21,CID16194170,,,,,,,,,,,,,,,0.0,,
CCOC(=O)Cc1csc(NC(=S)NC(=O)c2ccc(C)cc2)n1,CID1330547,,,,,,,,,,,,,,0.0,,,
CCOC(=O)Cc1csc(NC(=S)NC(=O)c2ccccc2C)n1,CID1072709,,,,,,0.0,,,,,,,,0.0,,,
CCOC(=O)Cc1csc(NC(=S)NC(=O)c2ccc(Cl)cc2)n1,CID1322118,,,,,,,,,,,,,,0.0,,,
CCOC(=O)Cc1csc(NC(=S)NC(=O)c2ccc(F)cc2)n1,CID1341811,,,,,,0.0,,,,,,,,0.0,,,
COC(=O)c1sc(NC(=S)NC(=O)c2ccccc2F)nc1C,CID1336265,,,,,,,,,,,,,,0.0,,,
COC(=O)c1sc(NC(=S)NC(=O)c2cccc(C)c2)nc1C,CID1227624,,,,,,,,,,,,,,0.0,,,
COC(=O)c1sc(NC(=S)NC(=O)c2ccccc2Cl)nc1C,CID1335979,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccc(N2C(=O)CC(N(C)CCc3ccc(OC)c(OC)c3)C2=O)cc1,CID2877426,,,0.0,,0.0,0.0,0.0,,0.0,0.0,,,,,,,
CCCCCCOc1ccc(N2C(=O)CC(NCCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1,CID3116100,,,,,,,,,,0.0,,,,,,,
CCCOc1ccc(N2C(=O)CC(N(CCc3ccc(S(N)(=O)=O)cc3)C(C)=O)C2=O)cc1,CID2866544,,,,,,,,,0.0,,0.0,,,,,,
CCOC(=O)c1ccc(N2C(=O)CC(N(C)CCc3ccc(OC)c(OC)c3)C2=O)cc1,CID2877689,,,,,0.0,,0.0,,,,,,0.0,,,,
CCOc1ccc(N2C(=O)CC(NCCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1,CID2877579,,0.0,,,0.0,,,0.0,,,,,,,,,
CCCOc1ccc(N2C(=O)CC(N(CCc3ccc(OC)cc3)C(=O)/C=C/C(=O)O)C2=O)cc1,CID5287323,,,,,,,,,,,,,,0.0,,,
CCOc1cccc(N2C(=O)CC(N(CCc3ccc(OC)c(OC)c3)C(=O)CC)C2=O)c1,CID660763,,0.0,,,0.0,,,0.0,0.0,0.0,,,0.0,,,,0.0
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C21C(=O)N(CC(N)=O)c2ccccc21,CID661501,,0.0,,,,,,,,,,,,,,,
CCCCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)C12C(=O)N(C)c1ccccc12,CID5389313,,,,,,,,,,,,,,,,0.0,
CCCCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)C12C(=O)N(C)c1ccccc12,CID5389285,,,,,,,,0.0,,,,,0.0,,,,
CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)C12C(=O)Nc1ccccc12,CID2860287,,,,,0.0,,,0.0,,,,,,,,,
CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)C12C(=O)Nc1ccccc12,CID2861568,,0.0,0.0,,0.0,,0.0,,,,,,,,,,
CCCCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)C12C(=O)Nc1ccccc12,CID661495,,,,,0.0,,,0.0,,0.0,,,0.0,,,,
N#CC1=C(N)OC2=C(C(=O)CCC2)C12C(=O)N(CC(N)=O)c1ccccc12,CID661431,,,,,,,0.0,,,,,0.0,,,,,
COc1ccc(CCNc2oc(COc3ccccc3)nc2C#N)cc1,CID661503,0.0,,,,,0.0,,,0.0,0.0,,,,,,,0.0
COc1ccc(CCNc2oc(COc3ccccc3F)nc2C#N)cc1,CID3244961,,,0.0,,,,,,,,0.0,,,,,,
COc1ccc(CCNc2oc(COc3ccccc3F)nc2C#N)cc1OC,CID647659,,,0.0,,,,,0.0,,0.0,,0.0,,,,,
N#Cc1nc(COc2ccccc2F)oc1NCCc1ccccc1,CID661531,,,0.0,0.0,,,,,,,,,0.0,,,,
COc1ccc(CCNc2oc(COc3ccc(Br)cc3)nc2C#N)cc1OC,CID1177322,,,,,,,,,0.0,,,,,,,,0.0
COc1ccc(CCNc2oc(COc3ccc(F)cc3)nc2C#N)cc1,CID661555,0.0,,,,,,,,,,,,,,,,
COc1ccc(CCNc2oc(COc3ccccc3Cl)nc2C#N)cc1OC,CID1080236,0.0,,,,,,,,0.0,,0.0,,0.0,,,0.0,0.0
COc1ccc(S(=O)(=O)NCCSCc2ccco2)cc1,CID646546,,,0.0,,,,0.0,,,0.0,,,,0.0,,,
Cc1ccc(S(=O)(=O)NCCSCc2ccco2)cc1,CID2276936,,,,,,,,,,,,,,,0.0,,
COc1ccc(S(=O)(=O)NCCSCc2ccco2)cc1OC,CID1992902,,,,,,,,,,0.0,,,,,,,
CC(=O)Nc1ccc(S(=O)(=O)NCCSCc2ccco2)cc1,CID2284898,,,0.0,,0.0,,,,,,,,,,,,
CCOc1ccc(S(=O)(=O)NCCSCc2ccco2)cc1,CID1815776,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(S(=O)(=O)NCCSCc2ccco2)cc1C,CID2197995,,,,,,,,,,0.0,,0.0,,0.0,,,
COc1ccc(S(=O)(=O)NCCSCc2ccco2)cc1Cl,CID2968449,,,,,,,0.0,,,,,,,,0.0,,
CCN(CC)c1ccc(CC2C(=O)N(C)C(=O)N(C)C2=O)cc1,CID2274195,,,0.0,,,,,0.0,,,,,,,0.0,0.0,
COC(=O)CC1(Cc2ccccc2)C(=O)NC(=O)NC1=O,CID660019,,,0.0,,0.0,,,0.0,,,,,,,,,
CCCCOc1ccc(CC2C(=O)N(C)C(=O)N(C)C2=O)cc1,CID2294288,,,,,,0.0,0.0,0.0,,,,,0.0,0.0,,,
C=CCOc1ccc(CC2C(=O)N(C)C(=O)N(C)C2=O)cc1,CID2059914,,,,,,,0.0,,,,,,,,0.0,,
COc1ccc(CC2C(=O)N(C)C(=O)N(C)C2=O)c(OC)c1,CID2296198,,,,,,,0.0,0.0,,,,,0.0,,0.0,,
COc1ccc(CC2C(=O)NC(=O)NC2=O)c(OC)c1,CID662831,,,,0.0,0.0,,,,,,,,0.0,,,,
C=CCN1C(=O)NC(=O)C(Cc2ccc(OC)c(OC)c2)C1=O,CID2921825,,,,,,,0.0,,0.0,0.0,,,,,,,0.0
COc1ccc2cnn(CCOc3ccccc3)c(=O)c2c1OC,CID661377,0.0,,0.0,0.0,,,,,,,0.0,,,,0.0,,
CCOc1ccccc1OCCn1ncc2ccc(OC)c(OC)c2c1=O,CID1829152,,,,,,,,,,,0.0,,,,,,
Cc1cccc(C)c1OCCn1nc(C(=O)O)c2ccccc2c1=O,CID2438929,,,,,,,,,,0.0,,,,,0.0,,
O=c1c2ccccc2cnn1CCOc1ccccc1,CID803124,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1OCCn1nc(C(=O)O)c2ccccc2c1=O,CID2079781,,,0.0,,,0.0,,,,,,,,,,,
CCCOc1ccc(OCCn2nc(C(=O)O)c3ccccc3c2=O)cc1,CID2549126,,,,,,,,,,,,,,,0.0,,
CCc1cccc(OCCn2nc(C(=O)O)c3ccccc3c2=O)c1,CID2439224,,,,,,,,,,,,,,0.0,,,
O=C(Nc1c(F)cc(F)cc1Br)c1cc(C2CC2)on1,CID5308390,0.0,,,,,,,,,,,,,0.0,,,
CSc1ccccc1NC(=O)c1cc(C2CC2)on1,CID9550166,,,,,,,,,,,,0.0,,,,,
CCc1ccccc1NC(=O)c1cc(C2CC2)on1,CID5309175,0.0,,0.0,,,,,0.0,,,,,,,,,
COC(=O)c1ccccc1NC(=O)c1cc(C2CC2)on1,CID5308975,,,,0.0,,,,0.0,,,,,0.0,,,,
COc1cc(NC(=O)c2cc(C3CC3)on2)c(OC)cc1Cl,CID6619100,,,,,,0.0,,,,,,,,,,,
Cc1c(Cl)cccc1NC(=O)c1cc(C2CC2)on1,CID5308825,0.0,0.0,,,,,,,,,,,,0.0,,,0.0
COc1ccc(NC(=O)c2cc(C3CC3)on2)c(OC)c1,CID5308816,,,,,,,,0.0,,,,,,,,,0.0
COc1ccc(-c2noc(C3CCCN(C(=O)c4ccccc4OC)C3)n2)cc1OC,CID649283,0.0,0.0,,,,,0.0,,,,,,0.0,,,,
Cc1ccc(-c2noc(C3CCCN(C(=O)c4c(F)cccc4F)C3)n2)cc1,CID644946,,,0.0,,,,,,,,,,,,,,0.0
CC(C)c1ccc(-c2noc(C3CCCN(C(=O)c4ccc(F)cc4F)C3)n2)cc1,CID656001,,,,,,,,,,,0.0,,,,,,0.0
COc1ccc(C(=O)N2CCCC(c3nc(-c4ccc(OC)c(OC)c4)no3)C2)c(OC)c1,CID647341,0.0,,0.0,,0.0,,,,0.0,,,,,,,,
COc1ccccc1C(=O)N1CCCC(c2nc(-c3cc(OC)c(OC)c(OC)c3)no2)C1,CID651590,0.0,,,,0.0,,,,0.0,0.0,,,,,0.0,,
COc1ccc(C(=O)N2CCCC(c3nc(-c4cc(OC)c(OC)c(OC)c4)no3)C2)cc1,CID650581,0.0,,,,0.0,,,0.0,0.0,,,,,,,,
Cc1ccc(-c2noc(C3CCCN(C(=O)c4ccc(F)cc4F)C3)n2)cc1,CID652495,,,,,,,0.0,,,,,,,,,,0.0
CCOc1ccc(-c2nnn(CC(=O)NCc3ccc(C)cc3)n2)cc1,CID1136576,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(-c2nnn(CC(=O)NCc3ccc(OC)cc3)n2)cc1OCC,CID644486,0.0,,0.0,0.0,,,0.0,0.0,,,0.0,0.0,,,,,
CCOc1ccc(-c2nnn(CC(=O)NCc3ccc(F)cc3)n2)cc1OCC,CID654571,,,,0.0,,,,0.0,,,,,0.0,,,,
CCOc1ccc(-c2nnn(CC(=O)NCc3ccccc3)n2)cc1,CID862265,,,,,,,,,,,,,,,0.0,,
CSc1ccc(-c2nnn(CC(=O)NCc3ccccc3)n2)cc1,CID2948374,,0.0,,,0.0,,,,,,,,,,,,
O=C(Cn1nnc(-c2ccccc2)n1)NCc1ccccc1,CID714078,0.0,0.0,,0.0,,,,,,,,0.0,,0.0,0.0,,
COc1ccc(-c2nnn(CC(=O)NCc3ccccc3)n2)cc1OC,CID1124038,,,,,,,,,,,,0.0,,,,,
CCn1cc(C(=O)c2ccccc2)c2ccccc21,CID2219463,,,,,,,,,0.0,,0.0,,,,,,
CCOC(=O)Cn1cc(C(=O)c2ccccc2F)c2ccccc21,CID974001,,,,,,,,,,0.0,,,,,,,
CC(C)NC(=O)Cn1cc(C(=O)c2ccccc2F)c2ccccc21,CID974000,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)c2c[nH]c3ccccc23)cc1,CID211017,,,,,,,,,,,0.0,,,,,,
CC(C)(C)NC(=O)Cn1cc(C(=O)c2ccccc2F)c2ccccc21,CID1095467,,,,,,,,,,,,0.0,,0.0,,,
Cn1cc(C(=O)c2ccccc2)c2ccccc21,CID899817,,,,,,,0.0,0.0,0.0,,,,,,,0.0,
O=C(O)Cn1cc(C(=O)c2ccccc2)c2ccccc21,CID1096013,,,0.0,0.0,,,,0.0,,,,,0.0,,,,
Cc1cccc(Cn2c(SCCN3CCOCC3)nc3c2c(=O)n(C)c(=O)n3C)c1,CID986862,,,,,,,,0.0,,,0.0,,,,,0.0,
Cc1ccc(Cn2c(SCCN3CCOCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1,CID663964,,0.0,0.0,,,,,,,,,,0.0,,,,
Cn1c(=O)c2c(nc(SCCN3CCOCC3)n2Cc2ccc(Cl)cc2)n(C)c1=O,CID987053,0.0,0.0,,,0.0,,,,,,,,0.0,,,,0.0
Cn1c(=O)c2c(nc(SCCN3CCOCC3)n2Cc2ccccc2)n(C)c1=O,CID656132,,,,,,,,0.0,,,,,,,,0.0,
Cn1c(=O)c2c(nc(SCCN3CCOCC3)n2Cc2ccc(F)cc2)n(C)c1=O,CID653202,0.0,0.0,,,,,,,,0.0,0.0,,,,,,
Cn1c(=O)c2c(nc(SCCN3CCOCC3)n2Cc2ccccc2Cl)n(C)c1=O,CID986783,0.0,,,0.0,0.0,,,,0.0,,0.0,0.0,0.0,,,,0.0
Cn1c(=O)[nH]c(=O)c2c1nc(SCCN1CCOCC1)n2Cc1ccccc1,CID649675,,0.0,,0.0,,,,0.0,,,0.0,,,,,,
Clc1cc(Br)ccc1OCCOCCN1CCOCC1,CID2297135,0.0,,,,,,,,,,,,,0.0,,,
Brc1ccc(OCCOCCN2CCOCC2)cc1,CID2245253,0.0,,,,,,,,0.0,,0.0,0.0,,,,0.0,0.0
Cc1cc(C)c(C)c(OCCOCCN2CCOCC2)c1,CID2246484,,,,,,,,,,,,,,,,0.0,
Cc1cccc(OCCOCCN2CCOCC2)c1C,CID2847345,,,,0.0,,,,,,0.0,0.0,,,,,0.0,0.0
Cc1ccc(C)c(OCCOCCN2CCOCC2)c1,CID2246529,,,,,,,0.0,,,0.0,,,,,,0.0,
CCOc1ccccc1OCCOCCN1CC(C)OC(C)C1,CID2923450,,,,,,,0.0,0.0,,,,,,,,,0.0
c1ccc(OCCOCCN2CCOCC2)cc1,CID520427,,,,,,,,,,,0.0,,,,,,
CCCCCn1c(CN2CCN(Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C,CID3242436,,0.0,,,,,,,,,,,,,,,
CC(C)CCn1c(CN2CCN(Cc3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C,CID667259,0.0,0.0,,,,,,,,,,0.0,,,,,
CCCCCCn1c(CN2CCN(Cc3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C,CID666712,0.0,,0.0,,,,,,,0.0,,0.0,,,0.0,,
Cn1c(=O)[nH]c(=O)c2[nH]c(CN3CCN(Cc4ccccc4)CC3)nc21,CID2029464,,0.0,,0.0,,,,,,,,,0.0,,,,
CC(C)CCn1c(CN2CCN(Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C,CID667240,,,,,,,,,,0.0,,,0.0,,,,
CCCCCn1c(CN2CCN(Cc3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C,CID662933,,,,0.0,,,,,,0.0,,,0.0,,,0.0,
Cn1c(=O)[nH]c(=O)c2c1nc(CN1CCN(Cc3ccccc3)CC1)n2CC(N)=O,CID5309981,,,,,,,,,,0.0,,,0.0,,0.0,0.0,
CC(=O)c1c(C)[nH]c(C(=O)NCc2ccccc2Cl)c1C,CID866989,0.0,0.0,,,,,,,,,,,,,,0.0,0.0
CC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(C)cc2)c1C,CID866997,,,,,,,,,,0.0,,,,,,,
CC(=O)c1c(C)[nH]c(C(=O)NCc2cccc(Cl)c2)c1C,CID2092104,,,,,,,,,,,,,,,0.0,,
CC(=O)c1c(C)[nH]c(C(=O)NCc2ccccc2)c1C,CID211019,,,,,,0.0,,,,0.0,,,,,,,
CC(=O)c1c(C)[nH]c(C(=O)NC(C)c2ccccc2)c1C,CID4367742,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1c(C)[nH]c(C(=O)NCc2ccccc2OC)c1C,CID2713349,0.0,0.0,,,,,,0.0,0.0,,0.0,,,,,,0.0
CCc1c(C(=O)NCc2ccccc2Cl)[nH]c(C)c1C(C)=O,CID3244030,0.0,0.0,0.0,,,0.0,,,,,,,,,,,0.0
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc(OC)cc2OC)c1,CID5020888,,,,,,,,,,,,,,0.0,,,
COc1cccc(OC)c1C(=O)Nc1ccccc1N1CCCC1,CID954604,0.0,0.0,,0.0,,,0.0,,0.0,,,,,,,0.0,
O=C(Nc1ccccc1N1CCCC1)c1ccc([N+](=O)[O-])cc1Cl,CID891285,,,,,,,,,,,,,,0.0,0.0,,
CC(C)Oc1ccc(C(=O)Nc2ccccc2N2CCCC2)cc1,CID756106,,,,,,,,,,0.0,,0.0,,,,,
O=C(Nc1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccccc1,CID2966063,,,,,,,,,,,,,,,0.0,,
COc1cccc(C(=O)Nc2ccccc2N2CCCC2)c1,CID888931,0.0,,,0.0,,,,,,,,0.0,,,0.0,,
CCOc1ccc(C(=O)Nc2ccccc2N2CCCC2)cc1,CID888842,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccccc1C(=O)O)c1cccc(NC(=O)c2ccc(Br)o2)c1,CID1255353,,,,,,,0.0,,0.0,,,,,,,,0.0
COc1ccccc1NC(=O)c1cccc(NC(=O)c2ccco2)c1,CID1262460,,,,,,,0.0,,0.0,,,0.0,,,,,
COc1ccc(NC(=O)c2cccc(NC(=O)c3ccco3)c2)c(OC)c1,CID1164702,0.0,0.0,,,,0.0,0.0,,0.0,0.0,,,0.0,,,,
Cc1c(NC(=O)c2cccc(NC(=O)c3ccco3)c2)cccc1C(=O)O,CID2193549,,,,,,,,,0.0,0.0,,,,,,,
Cc1ccc(O)c(NC(=O)c2cccc(NC(=O)c3ccco3)c2)c1,CID645398,,,,,0.0,,0.0,,0.0,,,,0.0,,0.0,,
CCOc1ccccc1NC(=O)c1cccc(NC(=O)c2ccco2)c1,CID1228476,0.0,,0.0,,,,,,,,,,0.0,,,,
COC(=O)c1ccccc1NC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1C,CID1251362,,,,,,,0.0,,0.0,,0.0,,,,,0.0,0.0
CCOc1ccc(-c2nnc(-c3cccnc3)o2)cc1OCC,CID655421,,0.0,,0.0,,,,0.0,0.0,,,,,0.0,0.0,,
CCOC(=O)c1cc(-c2nnc(-c3ccc(Cl)cc3)o2)c(C)nc1C,CID3689708,0.0,0.0,,,,0.0,,,,,,,,,,,
COc1ccc(-c2nnc(-c3cccnc3)o2)cc1OC,CID750773,0.0,,0.0,,,,0.0,,,,,,0.0,,0.0,,
Brc1ccccc1-c1nnc(-c2cccnc2)o1,CID740481,0.0,,,,,,0.0,,0.0,,,0.0,,,0.0,0.0,0.0
COc1cc(-c2nnc(-c3cccnc3)o2)cc(OC)c1OC,CID654427,0.0,,,,,,,0.0,,,,,0.0,0.0,,,
CCOC(=O)c1cc(-c2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)c(C)nc1C,CID1304689,,0.0,0.0,,0.0,,,0.0,,,,,,,,0.0,
COc1ccc(-c2nnc(-c3cccnc3)o2)cc1,CID865615,,,,,,0.0,,,0.0,,,,,,,,
Cc1c(C(=O)N2CCCCC2)sc(N)c1C#N,CID685920,,0.0,,,,,,0.0,,0.0,,,0.0,,,,0.0
CCOC(=O)c1c(NC(=O)C(F)(OC)C(F)(F)F)sc(C(=O)N2CCCCC2)c1C,CID3237243,,,,,0.0,,,,,,,,,,,,0.0
CCOC(=O)C1CCCN(C(=O)c2cccs2)C1,CID2904303,,0.0,0.0,,,,0.0,,,,,,,,,,
Cc1c(C(=O)N2CCCCC2)sc(NC(=O)C(C)C)c1C#N,CID654813,,0.0,,0.0,0.0,,,,0.0,0.0,0.0,,0.0,,,,0.0
CCC(=O)Nc1sc(C(=O)N2CCCCC2)c(C)c1C#N,CID655573,0.0,,0.0,0.0,0.0,,,0.0,,,0.0,,,,,0.0,0.0
Cc1c(C(=O)N2CCC(C(N)=O)CC2)sc(N)c1C#N,CID743993,,,,,,,,0.0,,,,,,,,,
CCOC(=O)c1c(N)sc(C(=O)N2CCCC(C(N)=O)C2)c1C,CID2868426,,0.0,0.0,,,,,,,,,,,,,,
COc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1,CID1164165,0.0,0.0,0.0,,0.0,,,0.0,,0.0,0.0,,0.0,,,,
N#CCCSc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1,CID3240241,0.0,,0.0,0.0,0.0,0.0,,,0.0,0.0,0.0,,,,,0.0,0.0
Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1,CID1548698,0.0,,0.0,0.0,0.0,,0.0,0.0,,0.0,,,,,,,0.0
CCOc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1,CID1164173,0.0,0.0,,0.0,0.0,,,,,,,,0.0,,,,
CC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1,CID650028,0.0,,0.0,,0.0,,,0.0,,0.0,,,,0.0,,0.0,
O=C(Nc1cccc(F)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1,CID829822,,,,,,,0.0,,,,,,0.0,0.0,,,0.0
O=C(Nc1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cc1,CID829820,,,0.0,0.0,0.0,,0.0,,,0.0,0.0,,0.0,0.0,,,
COc1ccc2cc(C(=O)NCC(=O)O)sc(=O)c2c1OC,CID700001,,,,,,,,,0.0,,,,,,,,
COC(=O)c1cc2ccc(OC)c(OC)c2c(=O)s1,CID700004,,,,,,,,,0.0,0.0,,,,0.0,,,
COC(=O)c1cc2ccccc2c(=O)s1,CID345568,,,,,,,0.0,,,,,,,0.0,,,
COc1ccc2cc(C(=O)OC(C)C)sc(=O)c2c1OC,CID699975,,,,0.0,,,,,,,,,,0.0,,,0.0
CCOC(=O)c1cc2ccc(OC)c(OC)c2c(=O)s1,CID699972,,,,,,,0.0,,0.0,,0.0,,,0.0,,,
COc1ccc2cc(C(=O)NCCO)sc(=O)c2c1OC,CID1741678,,,,,,,,,,0.0,,,,0.0,,,
O=C(NCCO)c1cc2ccccc2c(=O)s1,CID1583639,,,,,0.0,,,,,,,,,,,,
COCc1cc(=O)n2c([nH]c3ccccc32)c1C#N,CID644517,,,,0.0,,,0.0,0.0,,,0.0,0.0,,,,,
Cc1c(CCC(C)C)c(=O)n2c([nH]c3ccccc32)c1C#N,CID703093,,,,,,,,,,,,0.0,,,,,
Cc1cc(=O)n2c([nH]c3ccccc32)c1C(=O)O,CID780421,,,,,,0.0,,,,,,,,,,,
CCCc1cc(=O)n2c([nH]c3ccccc32)c1C#N,CID855050,,,,,,,,,,,,0.0,,,0.0,,
CC(SCc1cc(=O)n2c([nH]c3ccccc32)c1C#N)C(=O)O,CID3407389,,,,,,,,,,,,,,0.0,,,
CCOC(=O)CCc1c(C)c(C#N)c2[nH]c3ccccc3n2c1=O,CID660249,,0.0,,,,,,,0.0,,,,,,,,
CCc1cc(=O)n2c([nH]c3ccccc32)c1C#N,CID2114010,,,,,,,,,,,,0.0,,,,,
COc1cccc(Nc2nc(N)nc(-c3oc4ccccc4c3C)n2)c1,CID1850707,,,,,,,,,,,0.0,,,,,,
Cc1c(-c2nc(N)nc(Nc3ccc(F)cc3)n2)oc2ccccc12,CID934512,,,0.0,,,,,,,,,0.0,,,,,
Cc1c(-c2nc(N)nc(Nc3ccccc3)n2)oc2ccccc12,CID666284,0.0,,0.0,,,,,,,,0.0,0.0,,,,,
COc1ccccc1Nc1nc(N)nc(-c2cc3ccccc3o2)n1,CID665885,,0.0,0.0,,,,,,,,,,,,,0.0,
Cc1c(-c2nc(N)nc(Nc3ccccc3F)n2)oc2ccccc12,CID667318,,,,,,,,,,,0.0,0.0,,,,,0.0
COc1ccccc1Nc1nc(N)nc(-c2oc3ccccc3c2C)n1,CID1248279,,,,,,,,,,,0.0,,,,,,
COc1ccc(OC)c(Nc2nc(N)nc(-c3cc4ccccc4o3)n2)c1,CID1942568,,,0.0,0.0,,,0.0,0.0,,,0.0,,0.0,,,0.0,0.0
CCC(=O)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1,CID655158,,,,,0.0,0.0,,0.0,,,,0.0,,,0.0,,
COc1ccc2[nH]c(=O)c(CN(C(C)=O)C3CCCCC3)cc2c1,CID663963,0.0,,0.0,,0.0,0.0,,,0.0,0.0,,0.0,,,,,0.0
CCC(=O)N(Cc1cc2c(C)ccc(C)c2[nH]c1=O)C1CCCCC1,CID646396,,,0.0,,0.0,,,,,,,0.0,0.0,,0.0,,
CS(=O)(=O)N(Cc1cc2ccccc2[nH]c1=O)C1CCCCC1,CID667282,0.0,,0.0,,,,0.0,0.0,0.0,,0.0,,0.0,,,,
CC(=O)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1,CID645291,0.0,,,,0.0,0.0,0.0,0.0,,,,0.0,,,,,0.0
COc1ccc2[nH]c(=O)c(CNC3CCCCC3)cc2c1,CID664711,0.0,,,0.0,,,,0.0,,0.0,,,,,,,
CCC(=O)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1,CID650905,,,,,0.0,0.0,,,,,,0.0,,,,,
COc1cccc(CNC(=O)c2nnn(CC(=O)Nc3ccc(C)c(C)c3)c2N)c1,CID3242667,,,1.0,,,,,,,,,,0.0,,,,
COc1ccc(NC(=O)Cn2nnc(C(=O)NCc3ccccc3)c2N)c(OC)c1,CID16193531,,,,,,,,,,,,,,,0.0,,
COc1ccc(NC(=O)Cn2nnc(C(=O)NCc3cccc(OC)c3)c2N)cc1,CID3242566,,,,0.0,,,,,,,,0.0,,,,,
CCOc1ccc(NC(=O)Cn2nnc(C(=O)NCc3ccccc3OC)c2N)cc1,CID3237012,,0.0,,,,,,,,0.0,,,,,,,
COc1ccc(NC(=O)Cn2nnc(C(=O)NCc3ccccc3OC)c2N)cc1Cl,CID3239079,,,,,0.0,,,,,,,,,,,,
Cc1ccc(NC(=O)Cn2nnc(C(=O)NCc3ccccc3)c2N)cc1C,CID2135659,,0.0,0.0,,,,,,,,,,,,,0.0,
COc1ccc(NC(=O)Cn2nnc(C(=O)NCc3ccccc3)c2N)cc1Cl,CID3240624,0.0,,,,0.0,,,,,,,,,,,,
CCOC(=O)C1CCN(C(=O)c2c(-c3c(F)cccc3Cl)noc2C)CC1,CID2813183,,0.0,,,,,,,,0.0,,,,,,0.0,
Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCCCC1C(=O)O,CID2958945,,0.0,,0.0,,0.0,,,,,,,0.0,,,0.0,
CCOC(=O)C1CCCN(C(=O)c2c(-c3ccccc3Cl)noc2C)C1,CID2904821,,0.0,,0.0,,,,,,,,,0.0,0.0,,0.0,0.0
Cc1onc(-c2ccccc2)c1C(=O)N1CCC(C)CC1,CID708004,,,,,,,,,,,,,,,0.0,,
COC(=O)C1CCN(C(=O)c2c(-c3ccccc3Cl)noc2C)CC1,CID541138,,,,,,,,,,,,,,,,,0.0
CCOC(=O)C1CCN(C(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)CC1,CID649219,0.0,,,,,,,,,,,,0.0,,,,
CCC1CCCCN1C(=O)c1c(-c2ccccc2)noc1C,CID2867736,,,,,,,,,0.0,,,,,,,,
CCN1CCN(C(=S)Nc2cccc(Cl)c2)CC1,CID895682,,,,,,,,,,,,,,,0.0,,
CCCN1CCN(C(=S)Nc2ccc(S(N)(=O)=O)cc2)CC1,CID971846,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1ccc(NC(=S)N2CCN(S(C)(=O)=O)CC2)cc1,CID2206068,,,,,,,,,,0.0,,,,,,,
OCCN1CCN(C(=S)Nc2ccccc2)CC1,CID785529,,,,,,,,,,,,,,,0.0,,
CCN1CCN(C(=S)Nc2ccc(Cl)cc2)CC1,CID800192,,,,,,,,,,,,0.0,,,,,
CCN1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC1,CID2919220,,,,,,,,,,,,0.0,,,,,
CN1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC1,CID2896320,,,,,,,,,,,,0.0,,,,,
CCOc1ccccc1-c1nc2c([nH]1)c(=O)n(C)c(=O)n2C,CID662120,,0.0,,,,,,0.0,0.0,0.0,,0.0,0.0,0.0,0.0,,
Cn1c(=O)c2[nH]c(-c3ccccc3)nc2n(C)c1=O,CID1922,,,,,,,,0.0,0.0,,,,,0.0,,,
CCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(OC)c(Br)c1)n2CCOC,CID4038499,,,,,,,,,,,,,,,0.0,,
CCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccccc1OC(F)F)n2CCOC,CID2997707,,,,,,,,,,,,,0.0,,,,
CC(C)c1ccc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1,CID848598,,0.0,0.0,0.0,,,,0.0,0.0,,,,0.0,0.0,0.0,,
CCCOc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c(=O)n2C,CID1954071,,0.0,0.0,0.0,,,,0.0,0.0,,,,,,,,
C=CCn1c(=O)c2c(nc(-c3ccc(S(=O)(=O)O)cc3)n2C)n(C)c1=O,CID1365,,,,,,,,0.0,,,,,,,,,
Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)CCC(=O)NCCC(C)C)cc12,CID16188611,,,,,,,,,,,,,,0.0,,,
Cc1cccc2cc(C#N)c(N3CCN(C)CC3)nc12,CID655625,,0.0,0.0,,,0.0,,0.0,,,,0.0,,,,,
Cc1ccc2cc(C#N)c(N3CCN(C)CC3)nc2c1,CID865680,,,,,,,,,,,,0.0,,,,,
CCc1ccc2nc(N3CCN(C)CC3)c(C#N)cc2c1,CID650739,,,,,,,,0.0,,,0.0,0.0,,,,,
Cc1ccc2nc(N3CCN(C)CC3)c(C#N)cc2c1,CID654577,,0.0,,0.0,,,,0.0,,,,0.0,,,,,
Cc1cc(C)c2nc(N3CCN(C)CC3)c(C#N)cc2c1,CID644966,,0.0,,0.0,,0.0,,0.0,,,,,0.0,0.0,,,
Cc1cc2cc(C#N)c(N3CCN(S(C)(=O)=O)CC3)nc2cc1C,CID1454321,,,,,,,,,,,,,,,0.0,,
Cc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)N2CCCCC2)c1,CID5060478,,,,0.0,,,,,,,,0.0,,,,,
O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccccc1)N1CCCCC1,CID4620191,,,,0.0,,,,0.0,,0.0,,,,,,0.0,
COc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)N2CCC(C)CC2)c1,CID3241751,,,,,,,,0.0,,,,,,,,0.0,0.0
O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(F)cc1)N1CCCCC1,CID4249720,0.0,,,,,,,,,,,,0.0,,,,
COc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)N2CCC(C)CC2)cc1,CID5056985,,,,0.0,,,,0.0,,,,,,,,,
CC1CCN(C(=O)CSc2nnc(Cc3cc(=O)[nH]c(=O)[nH]3)n2-c2ccc(Cl)cc2)CC1,CID3248905,,,,,0.0,,,,,0.0,,,,,,,
COc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)N2CCCCC2)c1,CID4252310,,,,,,,,,,,,,,,,0.0,0.0
CCCn1nc(Oc2nc(SC)nc(N(C)C)n2)ccc1=O,CID661051,,,,,0.0,,,,,,,0.0,,,,,
COc1nc(NC(C)(C)C)nc(Oc2ccc(=O)n(C)n2)n1,CID3590596,,0.0,0.0,,,,,0.0,,,,,0.0,,,,
COc1nc(Oc2ccc(=O)n(C)n2)nc(N(C)C)n1,CID892863,,,,0.0,,,,,0.0,,,,,,,,
CON(C)c1nc(Oc2ccc(=O)[nH]n2)nc(N(C)C)n1,CID939372,,0.0,0.0,,,,,,,,,,,,,,
CCNc1nc(Oc2ccc(=O)[nH]n2)nc(SC)n1,CID936879,,0.0,,,,,0.0,,,,,,,,0.0,,
CSc1nc(Oc2ccc(=O)[nH]n2)nc(N(C)C)n1,CID659943,,,,0.0,0.0,,0.0,,,,,,,,,,
CSc1nc(NC(C)(C)C)nc(Oc2ccc(=O)[nH]n2)n1,CID889880,,0.0,,0.0,0.0,,0.0,,,0.0,,,0.0,,0.0,,
COc1ccc(CNc2oc(COc3ccc(Cl)cc3)nc2C#N)cc1,CID662587,0.0,,0.0,0.0,,,0.0,,,,,,,0.0,,0.0,0.0
COc1ccc(CNc2oc(COc3ccccc3)nc2C#N)cc1,CID662239,,,,,,0.0,,,,,0.0,0.0,0.0,,,,
N#Cc1nc(COc2ccccc2Cl)oc1NCc1ccc(F)cc1,CID661376,0.0,,,,,0.0,,,,,,,,,,0.0,
CN(Cc1ccccc1)c1oc(COc2ccccc2F)nc1C#N,CID713979,,,,,,0.0,,,,,,0.0,,,,,
COc1ccc(CNc2oc(COc3ccccc3Cl)nc2C#N)cc1,CID663157,0.0,,,0.0,,,0.0,,,,,,,,,0.0,0.0
Cc1ccc(CNc2oc(COc3ccccc3Cl)nc2C#N)cc1,CID661333,,,,0.0,,,0.0,,,,,,,0.0,0.0,0.0,0.0
N#Cc1nc(COc2ccccc2F)oc1NCc1ccc(F)cc1,CID714165,,0.0,,,0.0,,,,,0.0,,0.0,,,,,0.0
CC(C)CN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1cccnc1,CID667063,,,,,0.0,,,,0.0,,,,0.0,,,,
CCCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1cccnc1,CID663464,,,,,0.0,,,,0.0,,0.0,,0.0,,,,
CC(C)N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1cccnc1,CID664836,,,0.0,,0.0,0.0,,,0.0,,,0.0,0.0,0.0,0.0,,0.0
CCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1cccnc1,CID663483,,,,0.0,0.0,,,0.0,0.0,,0.0,,,,,,
CCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1cccnc1,CID663950,,0.0,0.0,0.0,0.0,,,0.0,0.0,,,,0.0,,0.0,,
CC(C)(C)N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1cccnc1,CID663788,,,,,0.0,,,0.0,,0.0,,,0.0,,,,
Cc1ccc2cc(CN(C(=O)c3cccnc3)C(C)C)c(=O)[nH]c2c1,CID663819,,0.0,,,0.0,,,,,,,0.0,0.0,,,,
O=C(NCc1ccc(F)cc1)C1CCN(S(=O)(=O)N2CCCCC2)CC1,CID3244466,,,,,0.0,,,,,,,,,,,,
O=C(NCc1ccccc1Cl)C1CCN(S(=O)(=O)N2CCCCC2)CC1,CID3245268,0.0,,,,0.0,0.0,,,,,,,,,,,
COc1cccc(CNC(=O)C2CCN(S(=O)(=O)N3CCCCC3)CC2)c1,CID3242418,0.0,,0.0,,0.0,0.0,0.0,,,,0.0,,,,,,0.0
COc1ccccc1CNC(=O)C1CCN(S(=O)(=O)N2CCCCC2)CC1,CID3244321,0.0,,,0.0,0.0,,,0.0,,,,,0.0,0.0,,,
COc1cccc(CNC(=O)C2CCN(S(=O)(=O)N3CC(C)CC(C)C3)CC2)c1,CID3237019,,,0.0,,0.0,,,,,,,,0.0,,,,0.0
COc1ccc(Br)cc1CNC(=O)C1CCN(S(=O)(=O)N2CCCCC2)CC1,CID3242655,0.0,,,,,,,,0.0,,0.0,,,,,0.0,0.0
COc1ccccc1CNC(=O)C1CCN(S(=O)(=O)N2CC(C)CC(C)C2)CC1,CID3244227,,0.0,,,0.0,,,,,,,,,,,,0.0
COc1cc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc(OC)c1OC,CID2887878,,,,,,0.0,,,,,,,,,,,
O=C1c2ccccc2NC(c2ccc(F)cc2)N1Cc1ccco1,CID661502,,,0.0,0.0,,,,,,,,,,,,0.0,
COc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1,CID4681590,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1,CID661528,0.0,,,,,,,,,,,,0.0,,,,0.0
O=C1c2ccccc2NC(c2ccccc2)N1Cc1ccco1,CID2928530,0.0,,,,,,,,,,,,0.0,,,,
O=C1c2ccccc2NC(c2cccc(F)c2)N1Cc1ccco1,CID3236461,,,,0.0,,,,0.0,,,,0.0,,,,,
O=C1c2ccccc2NC(c2ccc(O)cc2)N1Cc1ccco1,CID2887882,,,,,,,,,0.0,,,,,,,,
C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1cccc(OC)c1,CID666686,0.0,0.0,0.0,0.0,,,,,0.0,0.0,0.0,,0.0,,,,0.0
C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc(OC)cc1,CID667193,0.0,,0.0,0.0,0.0,0.0,0.0,,0.0,0.0,0.0,,,,,,0.0
CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc(OC)c(OC)c1,CID666260,,,,,0.0,0.0,,,0.0,0.0,,,0.0,,,0.0,
C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1cc(OC)cc(OC)c1,CID666502,0.0,,,0.0,0.0,,,,0.0,,0.0,,,0.0,,,
C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc(C(=O)OCC)cc1,CID667390,0.0,0.0,0.0,0.0,0.0,0.0,,,0.0,0.0,0.0,,,,,,
C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc(OC)c(OC)c1,CID666103,0.0,,,0.0,0.0,,0.0,,0.0,,0.0,,,,0.0,,0.0
CCOC(=O)c1ccc(NC(=O)CSc2nnc(Cc3cccs3)n2C)cc1,CID1248881,0.0,,0.0,0.0,0.0,,0.0,,0.0,0.0,0.0,,,,,0.0,0.0
COc1ccccc1NC(=O)N1CCCC1C(=O)NCc1ccc(F)cc1,CID654905,,,0.0,,,,,,,,,,,,,,0.0
COc1ccccc1NC(=O)N1CCCC1C(=O)NCc1ccccc1,CID644676,0.0,0.0,,0.0,,0.0,,0.0,,,,0.0,,,,,0.0
COc1ccccc1NC(=O)N1CCCC1C(=O)NCc1ccccc1F,CID647975,,,,,,,,0.0,,,,,,,,,
CC(=O)c1cccc(NC(=O)N2CCCC2C(=O)NCc2ccc(F)cc2)c1,CID653842,,0.0,,,,,,0.0,,,,0.0,,,0.0,,
CC(=O)c1cccc(NC(=O)N2CCCC2C(=O)NCc2ccc(C)cc2)c1,CID652234,0.0,0.0,,,,,,0.0,0.0,0.0,,0.0,0.0,,,,
CC(=O)c1cccc(NC(=O)N2CCCC2C(=O)NCc2ccccc2)c1,CID645737,,,,,0.0,,0.0,,,,,,,,,,0.0
COc1ccc(NC(=O)N2CCCC2C(=O)NCc2ccc(C)cc2)cc1,CID3221310,,,,,,,,,,,,,,,0.0,,
Cc1ccc(OCC(=O)Nc2ccccc2N2CCOCC2)c(C)c1,CID757551,,,,,,0.0,,,0.0,,,,,,,,
Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1N1CCOCC1,CID1017018,0.0,,,,,,,,,,,,,0.0,,0.0,
O=C(COc1ccc(Cl)cc1)Nc1ccccc1N1CCOCC1,CID1078563,0.0,,0.0,,,,0.0,,,0.0,0.0,,,,0.0,0.0,0.0
Cc1cc(Cl)ccc1OC(C)C(=O)Nc1ccccc1N1CCOCC1,CID2999338,0.0,,,0.0,,,,,,,,,,,,0.0,0.0
Cc1ccccc1OCC(=O)Nc1ccccc1N1CCOCC1,CID896200,,0.0,,0.0,,,0.0,,,,,,0.0,,,,
Cc1cc(C)c(OCC(=O)Nc2ccccc2N2CCOCC2)c(C)c1,CID2677622,0.0,,,0.0,,,0.0,,0.0,,,,,,,0.0,0.0
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)COc2ccccc2)c1,CID4314906,,,,,,,,,,,,,,0.0,,,
CC(C)(C)NC(=O)NC(=O)CSc1nnc(COc2ccccc2Cl)o1,CID2482307,,,,,,,,,0.0,,0.0,0.0,,,,,
CC(C)NC(=O)NC(=O)CSc1nnc(COc2ccccc2Cl)o1,CID2482310,,,,,,,,,,,,0.0,,,,,
CC(C)CCNC(=O)NC(=O)CSc1nnc(COc2ccccc2Cl)o1,CID2482444,0.0,0.0,0.0,,0.0,,,,0.0,,0.0,0.0,0.0,,,,0.0
Cc1cc(C)cc(OCc2nnc(SCC(=O)OC(C)C)o2)c1,CID862340,,,,,,,,,0.0,,0.0,0.0,,,,,
CC(C)NC(=O)CSc1nnc(COc2ccccc2Cl)o1,CID2482375,,,,,,0.0,,,,,0.0,,,,0.0,,
C/C(N)=C(/C#N)C(=O)CSc1nnc(COc2ccccc2Cl)o1,CID5742447,,,0.0,,,,,,,,,,,,,,
CCOC(=O)CSc1nnc(COc2cccc(C)c2)o1,CID864815,,,,,,,,,,,,,,,0.0,,
COc1ccc2c(c1)OC(O)(C(F)(F)C(F)F)CC2=O,CID2849054,,,,,,,,,0.0,,,,,,,,0.0
COc1ccc2c(c1)OC(O)(C(F)(F)F)CC2=O,CID2849974,,,,,,,,,0.0,,,,,,,,
CC1(C)CC(=O)c2c(O)cc(O)cc2O1,CID821362,,,,0.0,0.0,,,,,,,0.0,,,,,
CCCCCCCNC(=O)COc1ccc2c(c1)C(=O)CC(C)(C)O2,CID3700536,,,,,,0.0,,,0.0,,,,,,,,
CCOC(=O)COc1ccc2c(c1)C(=O)CC(C)(C)O2,CID3239029,,,0.0,,,,,,,,,,,,,0.0,
CC1(C)CC(=O)c2cc(OCC(=O)O)ccc2O1,CID3238149,,,,,,0.0,,,,,,,,,,0.0,
COc1cc(O)c2c(c1)OC(C)(C)CC2=O,CID573572,,,,,,,,0.0,,,,,,,,0.0,
O=C(NCc1cccc(F)c1)c1noc2c1CCCC2,CID5307394,,,,0.0,,,0.0,,,,0.0,,,,,,
O=C(NCc1ccc(F)cc1)c1noc2c1CCCC2,CID3244894,,,,,,,,,,,,,0.0,,,,
O=C(NCc1ccccc1)c1noc2c1CCCC2,CID3243100,,,,,0.0,,,,,,,,,,,0.0,
CC(NC(=O)c1noc2c1CCCC2)c1ccccc1,CID3240699,,,,,0.0,0.0,,0.0,,,,,,,,,0.0
CC(C)(C)C1CCc2onc(C(=O)NCc3ccc(F)cc3)c2C1,CID3237720,,,,0.0,,0.0,,,,,,0.0,,,,,
O=C(NCc1ccc(Cl)cc1)c1noc2c1CCCC2,CID3238315,0.0,0.0,,0.0,,,,0.0,,0.0,,,,,,0.0,
COc1ccc(CNC(=O)c2noc3c2CCCC3)cc1,CID3242135,,,,,0.0,,,0.0,,,,,,,,,0.0
CCC1Oc2ccc(C)cc2N(CC(=O)NCc2cccc(OC)c2)C1=O,CID3243474,,,,,0.0,,,0.0,0.0,,,,,,,,
O=C(CN1C(=O)COc2ccccc21)NCc1ccc(C(=O)O)cc1,CID2526829,,,0.0,0.0,,,,,,,,,0.0,,,,
Cc1ccc(CNC(=O)CN2C(=O)COc3ccc(C)cc32)cc1,CID3240975,,,,,0.0,,,,,,,,,,,,
CCC1Oc2ccc(C)cc2N(CC(=O)NCc2ccccc2OC)C1=O,CID3245376,,,,,0.0,,,,,,,,,,,,
CCC1Oc2ccc(C)cc2N(CC(=O)NCc2cc(OC)ccc2OC)C1=O,CID3241085,,,0.0,,,,,0.0,,,0.0,,,,,,0.0
CC(NC(=O)CN1C(=O)COc2ccccc21)c1ccccc1,CID3239944,,,,,0.0,,,0.0,,,,,,,,,0.0
CCc1ccc(CNC(=O)CN2C(=O)COc3ccccc32)cc1,CID3238531,,,0.0,,,,,,0.0,0.0,,,,,,,0.0
c1ccc(-c2nc[nH]c2-c2ccccc2)cc1,CID69588,,,,0.0,,,,0.0,,,,,,,,,
CNC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1,CID2434556,,,,,,0.0,,,,,0.0,,,,,,
CCSc1nc(-c2ccccc2)c(-c2ccccc2)n1CC(O)CO,CID4096565,,,,,,,,,,,,,,0.0,,,
CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1,CID900954,,,,,,0.0,,,,,,,,,,,
CCN(CC)C(=O)n1cnc(-c2ccccc2)c1-c1ccccc1,CID806670,,,,,,,,,,,,,,,0.0,,
CC(C)c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1,CID294543,,,,,,0.0,,,,,,,,,0.0,,
CN(C)S(=O)(=O)n1cnc(-c2ccccc2)c1-c1ccccc1,CID887018,,0.0,,,0.0,,,0.0,,,,0.0,0.0,,,,0.0
COc1ccc(Cn2c(CCC(=O)O)nc3cccnc32)cc1,CID3241296,,,,,,0.0,,,,,,,0.0,,,,
COc1ccccc1Cn1cnc2cccnc21,CID3236422,,0.0,,,,0.0,,,,,,,0.0,,,0.0,
CCOC(=O)CNC(=O)CSc1nc2cccnc2n1Cc1ccccc1,CID649741,,0.0,,0.0,,,0.0,0.0,0.0,,0.0,,,,,0.0,0.0
O=C(O)CCc1nc2cccnc2n1Cc1ccccc1,CID3245802,,0.0,0.0,,,,,,,,,,0.0,,,,
COCCCNC(=O)CCc1nc2cccnc2n1Cc1ccccc1,CID3241991,,,,,,0.0,,0.0,,0.0,,,,,,,
COCCCNC(=O)CCc1nc2cccnc2n1Cc1ccc(OC)cc1,CID3236318,,0.0,,,,,,,,,,,,,,,
CCNC(=O)Nc1cc2nc(C)n(Cc3ccc(Br)cc3)c2nc1C,CID645806,0.0,,,,,,0.0,,0.0,,,,,,,,0.0
CCOC(=O)c1c(-c2ccc(Cl)cc2)cn2ccccc12,CID3772753,,,,,,0.0,,,,,,,,,,,
CCNC(=O)C(=O)c1c(-c2ccccc2)cc2ccccn12,CID2371420,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1c(-c2ccc(C)cc2)cn2ccccc12,CID2763671,,,,,,0.0,,,,,,,,,,,
O=C(O)c1c(-c2ccc(Cl)cc2)cn2ccccc12,CID1491132,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1c(-c2ccccc2Cl)cn2ccccc12,CID1491222,,,,,,,,,,,,,,0.0,,,
CN(C)C(=O)C(=O)c1c(-c2ccccc2)cc2ccccn12,CID1566157,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1c(-c2ccc(F)cc2)cn2ccccc12,CID1491186,,,,,,0.0,,,,,,,,,,,
CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c(C)cccn2c1C(N)=O,CID1101215,,,,,,,,,,0.0,,,,,,,
CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2ccccn2c1C(=O)OC,CID1068215,,,,,0.0,,,,,,,0.0,,,,,
CCCS(=O)(=O)c1cn2cccc(N)c2c1S(=O)(=O)CCC,CID583347,,,,,0.0,,,,0.0,0.0,,,,,,,
CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2cc(CC)ccn2c1C(=O)OC,CID3242646,,,,,0.0,0.0,0.0,,,,,,,,,,
CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c(C)cccn2c1C(=O)OC,CID1068183,,,,,,0.0,,,,,,,,,,,
COC(=O)c1cc(C(C)=O)n2ccccc12,CID821569,,,,,,,,,,,,0.0,,,,,
COC(=O)c1c(C(=O)OC)c2cc(C)ccn2c1Cl,CID653966,,,,0.0,,,,,,0.0,,0.0,,0.0,,,
Cc1ccc(C(=O)COC(=O)c2cnccn2)cc1,CID882309,,,0.0,0.0,,,,,,,,,0.0,,,0.0,
CCc1ccc(C(=O)COC(=O)c2cnccn2)cc1,CID757164,,,,,,,,,,,,,,,0.0,,
O=C(COC(=O)c1cnccn1)c1ccc(Br)cc1,CID882245,0.0,,,,,,,,0.0,,0.0,,,,,,0.0
O=C(OCC(=O)c1ccccc1Cl)c1cnccn1,CID887488,,,,,,,,,,,,,,0.0,,,
CCc1ccc(C(=O)COC(=O)c2cnc(C)cn2)cc1,CID2430350,,,,,,,,,,,,,,0.0,0.0,,
O=C(COC(=O)c1cnccn1)c1ccccc1,CID647387,,,0.0,,,,,,,,,,,,,,
CC1=C(C(=O)OCCOC(C)C)C(c2cc3c(cc2Br)OCO3)C2=C(CCCC2=O)N1,CID644470,0.0,,,,,,,,,,0.0,,,,,,
COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1cc2c(cc1Br)OCO2,CID2855830,0.0,,,,,,,,,,,,,,,,0.0
COCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1cc2c(cc1Br)OCO2,CID2854943,0.0,,,,,,0.0,,,,0.0,,,,,,0.0
COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1ccc2c(c1)OCO2,CID2855880,,,,,,0.0,0.0,,,,,,0.0,,,,
COCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1ccc2c(c1)OCO2,CID2854500,,,,,,,0.0,,,,,,0.0,,,,
CSC1=C(C#N)C(c2ccc3c(c2)OCO3)C2=C(CCCC2=O)N1,CID2908326,,,,,,,,,,,,0.0,,,0.0,,
O=C(Cc1ccc(Cl)cc1)Nc1cccnc1,CID814726,,,,,,0.0,,,,,,,,,,,
O=C(Cc1c(F)cccc1Cl)Nc1cccnc1,CID974103,,0.0,,,,,,,,0.0,,,,,,,0.0
Cc1cc(NC(=O)C(C)C)ncc1NC(=O)Cc1ccccc1,CID656326,,0.0,,0.0,,0.0,0.0,0.0,0.0,,,,0.0,,,,
CCCC(=O)Nc1cc(C)c(NC(=O)Cc2ccccc2)cn1,CID654780,,0.0,0.0,,,0.0,,,0.0,,,,0.0,,,,
CCCC(=O)Nc1ccc(NC(=O)Cc2ccccc2)cn1,CID653361,,,,,,,,,0.0,,,,,,,0.0,
CCC(=O)Nc1ccc(NC(=O)Cc2ccccc2)cn1,CID646148,,0.0,,0.0,,0.0,,,0.0,,,0.0,0.0,,,,
CCCNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1cccc2nsnc12,CID3241571,0.0,,,0.0,0.0,,,,0.0,0.0,0.0,0.0,,,,0.0,
COc1ccc(CCNS(=O)(=O)c2cccc3nsnc23)cc1OC,CID3237548,0.0,,,,0.0,,,,,,,,0.0,,,,
CCOc1ccc(CCNS(=O)(=O)c2cccc3nsnc23)cc1OCC,CID606050,0.0,,0.0,,0.0,,0.0,,,0.0,,,,,,,
O=S(=O)(NCCc1ccccc1)c1cccc2nsnc12,CID702981,,,,,,,,,0.0,0.0,,,,0.0,,,
CC(C)(C)NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1cccc2nsnc12,CID3245685,,0.0,,0.0,0.0,,,,,,,,,,,,
CCC(C)NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1cccc2nsnc12,CID3237344,,0.0,,0.0,,,,,0.0,,0.0,,,,,0.0,
COC(=O)c1cn(C)c2ccc(S(=O)(=O)N3CCCCC3)cc2c1=O,CID3243209,,,,,,,0.0,,,,0.0,,,,,0.0,0.0
COC(=O)c1cn(C)c2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc2c1=O,CID3240816,,,,,,,,,,0.0,,,,,,0.0,
C=CCn1cc(C(=O)OC)c(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc21,CID3244278,,,,0.0,,,,,,,,,,,,0.0,0.0
CCOC(=O)c1cn(CC)c2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc2c1=O,CID3236215,,,,0.0,0.0,,,,,0.0,0.0,,,,,0.0,
C=CCn1cc(C(=O)NCCCOC)c(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc21,CID5309547,,,,,,,,0.0,,,,,,,,,
CCOC(=O)c1cn(CC)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2c1=O,CID3237647,,,,,,,,,,0.0,0.0,,,,,0.0,
CCCCc1nnc(NC(=O)CS(=O)(=O)Cc2ccccc2)s1,CID2227985,,,,,,,,,0.0,,,,,0.0,,,
COCc1nnc(NC(=O)CS(=O)(=O)Cc2ccccc2)s1,CID2951643,,,,,0.0,,,,,,,,,,,,0.0
CCCC(C)c1nnc(NC(=O)CS(=O)(=O)Cc2ccccc2)s1,CID3158307,,,,,,0.0,,,,,0.0,,,,,,
CC(C)(C)c1nnc(NC(=O)CS(=O)(=O)Cc2ccccc2)s1,CID1094093,,,,,,,,,,,,,,0.0,,,
CCC(CC)c1nnc(NC(=O)CS(=O)(=O)Cc2ccccc2)s1,CID1094099,,,,,,,,,,0.0,0.0,,,,,,
CCCCCc1nnc(NC(=O)CS(=O)(=O)Cc2ccccc2)s1,CID2207331,0.0,,,0.0,0.0,,0.0,,,0.0,,,0.0,,,,
CCOC(=O)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1,CID725112,,0.0,,,0.0,,0.0,,,,,,,,,0.0,0.0
CCS(=O)(=O)N1CCN(c2nc(-c3ccccc3)cs2)CC1,CID655185,0.0,,0.0,0.0,,,0.0,,,,0.0,,,,0.0,,
CCOC(=O)N1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1,CID1269494,0.0,,,0.0,0.0,,,,,,0.0,,0.0,,0.0,,0.0
CS(=O)(=O)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1,CID778231,0.0,0.0,,,0.0,,0.0,,,,0.0,,0.0,0.0,,,
CS(=O)(=O)N1CCN(c2nc(-c3ccccc3)cs2)CC1,CID618556,0.0,,,0.0,0.0,,0.0,,0.0,,0.0,,0.0,,,0.0,
CC(C)C(=O)NNC(=O)CN1CCN(c2nc(-c3ccccc3)cs2)CC1,CID1447358,,,,,,,,,,,,,,,0.0,,
COc1ccc(NC(C)=O)cc1NC(=O)CN1CCN(c2ccccn2)CC1,CID3239803,,,0.0,,,,,0.0,,,,,,,,,0.0
O=C(CN1CCN(c2ccccn2)CC1)Nc1cc(C(F)(F)F)ccc1Cl,CID3236086,0.0,,,,,,,,,,,,,,,,
O=C(CN1CCN(c2ccccn2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1,CID3245286,0.0,,,,,,,,,,,,,,,,
O=C(CN1CCN(c2ccccn2)CC1)Nc1ccccc1,CID4780744,,,,,,,,,,,0.0,,,,,,
COC(=O)c1ccc(NC(=O)CN2CCN(c3ccccn3)CC2)cc1,CID4433660,,,,,,,,,,,,,,,0.0,,
O=C(CN1CCN(c2ccccn2)CC1)Nc1cccc(C(F)(F)F)c1,CID655692,,,,,0.0,,,,0.0,,,,,,,,
O=C(COC(=O)c1ccccn1)Nc1cc(Cl)ccc1Cl,CID1088642,0.0,0.0,,,,,,,,0.0,,,0.0,,,,0.0
O=C(COC(=O)c1ccccn1)Nc1ccccc1Cl,CID2999427,,,0.0,0.0,,0.0,0.0,,,,,,0.0,,,,0.0
COc1cccc(NC(=O)COC(=O)c2nc(Cl)ccc2Cl)c1,CID2339719,,,,,,,,,,,,,,0.0,,,
O=C(COC(=O)c1ccccn1)Nc1cccc(Cl)c1,CID1088651,,0.0,,0.0,,0.0,,,,0.0,,,,,,,
O=C(COC(=O)c1ccccn1)Nc1c(Cl)cccc1Cl,CID2365246,0.0,,,,,,,,0.0,,,,,0.0,0.0,0.0,
O=C(COC(=O)c1ccccn1)Nc1cccc(Cl)c1Cl,CID644682,0.0,,,,,,0.0,,,,,,,,,,
C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1cccs1,CID660932,0.0,,,,0.0,,0.0,,,,,,0.0,0.0,,,
CC1=C(C(=O)OC(C)C)C(c2cccs2)N2C(=O)CCSC2=N1,CID2939245,,,,,0.0,,,,,0.0,0.0,,,0.0,,,
CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1sccc1C,CID660234,,,,,0.0,0.0,,,,,,,0.0,0.0,,,
COC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1cccs1,CID2873127,,,0.0,,0.0,0.0,0.0,,,,,,,,,,
COCCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1cccs1,CID2926837,,,,,,,,,,,,,,0.0,0.0,,
CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1cccs1,CID646686,,,0.0,,0.0,,0.0,,0.0,0.0,0.0,,0.0,0.0,,,
COc1ccc(CCNC(=O)C2CCCCC2C(=O)O)cc1OC,CID2788076,,,,0.0,,0.0,,,,,,,,,,,
NS(=O)(=O)c1ccc(CCNC(=O)C2CCCCC2)cc1,CID798768,,,,,,,,,,,,0.0,,0.0,,,
O=C(O)C1CCCCC1C(=O)NCCc1cccc(Cl)c1,CID2932916,,,,0.0,,,,,,,,,0.0,0.0,,0.0,0.0
CC(CNC(=O)C1CCCCC1C(=O)O)c1ccccc1,CID2747924,,,,,,,,,,0.0,,,,,0.0,,
O=C(O)C1CCCCC1C(=O)NCCc1ccc(Cl)cc1,CID2968499,,0.0,,,,,,,,0.0,,,,,,,0.0
O=C(O)C1CCCCC1C(=O)NCCc1ccccc1,CID2841922,,,,,,,,,,0.0,,,,,,,0.0
CC(C)Sc1cc(N2CCOCC2)nc(-c2ccc(Cl)cc2)n1,CID852308,,,,,,0.0,,,,,,0.0,,,0.0,,
CSc1nc(-c2ccccc2)nc(N2CCOCC2)c1C(C)=O,CID780203,,,,,,,,,,,,,,0.0,,,
CCCSc1cc(N2CCOCC2)nc(-c2ccccc2Cl)n1,CID7315396,,,,,,,,,,,,,,0.0,,,
Cc1cc(N2CCOCC2)nc(-c2ccc(Br)cc2)n1,CID755177,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1cnc(-c2ccccc2)nc1N1CCOCC1,CID796077,,,,,,,,,,,,,,,0.0,,
Cc1cc(N2CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1,CID867853,,,,,,,,,,,,,,,0.0,,
CC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCc1ccccc1,CID666428,0.0,,,0.0,,,,,,,,,,,,,0.0
CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCc1ccccc1,CID3337780,0.0,0.0,,,,,0.0,,,0.0,,,0.0,,,,
Cn1c(=O)c2c(nc(CN3CCCCC3)n2CCCc2ccccc2)n(C)c1=O,CID648436,,0.0,0.0,,,,,,,,0.0,,,,,,
Cn1c(=O)c2c(nc(CN3CCC(C(N)=O)CC3)n2CCCc2ccccc2)n(C)c1=O,CID666283,,,,,,,0.0,,,,,,,,,,
CC1CCCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCCc2ccccc2)C1,CID667250,0.0,,,,,,,,,,,,,,,,
CC1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCCc2ccccc2)CC1,CID666607,0.0,,,0.0,,,,,,,,0.0,,,,,0.0
COc1ccccc1C(=O)Nc1cc(-c2nn3c(C)nnc3s2)ccc1C,CID4454608,,,,,0.0,,,,,,,,,,,0.0,
COc1c(C)cccc1C(=O)Nc1cc(-c2nn3c(C)nnc3s2)ccc1C,CID4454677,0.0,,,,0.0,,,0.0,,,,,,,,,
COc1ccc(C(=O)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)cc1,CID4454612,0.0,,,,0.0,0.0,,,,,0.0,,0.0,,,0.0,
CCCOc1ccc(C(=O)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)cc1,CID4454613,0.0,,,0.0,0.0,,0.0,0.0,,,,0.0,,,,0.0,
CCOc1cccc(C(=O)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)c1,CID4454610,0.0,0.0,0.0,,0.0,,,0.0,,,,,,,,,
Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccc(OC(C)C)cc1,CID1017647,0.0,,,,0.0,,0.0,,,,,,,0.0,,,
CCCCCOC(=O)Cn1c(N2CCCCCC2)nc2c1c(=O)[nH]c(=O)n2C,CID644896,0.0,,,,,,,,,,,0.0,,,0.0,,
C/C=C/Cn1c(N2CCCCCC2)nc2c1c(=O)[nH]c(=O)n2C,CID5742290,,0.0,,,,,,,,,,,,,,,
C/C(Cl)=C\Cn1c(N2CCCCCC2)nc2c1c(=O)n(C)c(=O)n2C,CID5769116,,,,,,,,,,,,,0.0,,,,
C=CCn1c(N2CCCCCC2)nc2c1c(=O)[nH]c(=O)n2C,CID653785,,,0.0,0.0,,,,0.0,,,,0.0,,,,,
C=CCn1c(N2CCCCCC2)nc2c1c(=O)n(C)c(=O)n2C,CID653061,,0.0,0.0,,,,,0.0,,,,0.0,0.0,,,,0.0
CCOC(=O)Cn1c(N2CCCCCC2)nc2c1c(=O)[nH]c(=O)n2C,CID644530,,0.0,,0.0,,,,0.0,,,,,,,0.0,,
Cc1ccc(-c2cn3nc(C)c(C)nc3n2)cc1,CID617210,,0.0,,0.0,,,,,,,,,,,,,
Cc1nc2nc(-c3ccc(Cl)cc3)cn2nc1C,CID621011,,,,,,,,,,,,0.0,,,,,
COc1cccc(-c2cn3nc(C)c(C)nc3n2)c1,CID620319,,,,0.0,,,0.0,,,,,,,,,0.0,
Cc1nc2nc(-c3ccccc3)cn2nc1C,CID614255,,,,,,,,,0.0,,,,,,,,
CCc1ccc(-c2cn3nc(C)c(C)nc3n2)cc1,CID661897,,0.0,,,,,,,,,,0.0,,,,,
CCc1c(-c2ccccc2)nc2nc(C)c(C)nn12,CID709793,,0.0,0.0,,,0.0,,,,,,0.0,,,,,
OCCN1CCN(c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)CC1,CID665288,0.0,0.0,,,,0.0,0.0,,,,0.0,,0.0,,0.0,0.0,0.0
Clc1ccc2nc(N3CCNCC3)nc(-c3ccccc3)c2c1,CID658787,0.0,0.0,,,,,0.0,,,,0.0,,,,,,
CN1CCN(c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)CC1,CID659436,0.0,0.0,,,,,,,,,,,,,,,0.0
O=C(O)CCCC(=O)N1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1,CID1145408,,,0.0,,,0.0,0.0,,,,0.0,0.0,,,,,
Cc1ccc2nc(N3CCN(C=O)CC3)nc(-c3ccccc3)c2c1,CID776450,,,,,,,,,,,0.0,,,,0.0,,
O=C(O)CCC(=O)N1CCN(c2nc(-c3ccccc3Cl)c3cc(Br)ccc3n2)CC1,CID1386650,,,,,,,,,0.0,,,,,,,,
CCn1c(C)cs/c1=N/C(=O)c1ccccc1,CID3235754,,0.0,,,0.0,0.0,0.0,,,,,,0.0,,,0.0,0.0
CCOC(=O)c1s/c(=N/C(=O)c2ccc(OC(C)C)cc2)n(C)c1C,CID3341993,,,,,,,,,,,,,,0.0,0.0,,
CCOC(=O)c1s/c(=N/C(=O)c2ccc(OC)c(OC)c2)n(C)c1C,CID3240209,,,,,,,,0.0,,,,,,,,,0.0
CCn1c(C)cs/c1=N/C(=O)c1ccccc1O,CID3238416,,,,,0.0,,,0.0,,,,,0.0,,,,0.0
CCOC(=O)c1s/c(=N/C(=O)c2ccc(C)c(C)c2)n(C)c1C,CID3689347,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1s/c(=N/C(=O)c2cccc(OC)c2)n(C)c1C,CID3236505,,,,0.0,,,,0.0,,,,,,,,,
CC(NC(=O)c1ccc(Cl)cc1)C(=O)N1CCCCC1,CID4373006,,0.0,,,,,,,,,,,0.0,,,,
COc1cccc(C(=O)NCC(=O)N2CCC(C)CC2)c1,CID2105608,,0.0,,,0.0,,,,,,,0.0,0.0,,,,0.0
O=C(NCC(=O)N1CCCCC1)c1ccc(Cl)cc1Cl,CID5195773,,,,,,,,,,,,0.0,,,,,
COc1cc(OC)cc(C(=O)NCC(=O)N2CCC(C)CC2)c1,CID2097372,,,,0.0,,,,,,,,0.0,0.0,,,0.0,
COc1ccc(C(=O)NCC(=O)N2CCC(C)CC2)cc1OC,CID2110515,,,,,,,,,,,0.0,,,,,,
COc1cc(OC)cc(C(=O)NCC(=O)N2CCCCC2)c1,CID2097349,,,,,,,0.0,0.0,,0.0,,0.0,,,,0.0,
COc1ccc(C(=O)/C=C/Nc2ccccn2)cc1,CID2249530,,,,,,,,,,0.0,,0.0,,,,,
O=C(/C=C\Nc1ccccn1)c1ccccc1,CID5310821,,,,,,,,0.0,,,,,,,,,
COc1ccc(C(=O)/C=C/Nc2ccc(C)cn2)cc1OC,CID841158,,,,,,,,,0.0,,0.0,,,,,,
COc1ccc(C(=O)/C=C/Nc2cccc(C)n2)cc1OC,CID1927286,,0.0,0.0,,0.0,,,,,0.0,,,0.0,,,,0.0
O=C(/C=C\Nc1ccccn1)c1ccc(Cl)cc1,CID5310655,,,,,,,,,,,,,0.0,,,,
Cc1ccc(C(=O)/C=C/Nc2ccccn2)cc1,CID1907983,,,,,,,0.0,,,0.0,,,,,,,
Cc1cc(C)nc(SCC(=O)N2CCCCC2)n1,CID742074,,0.0,,,,,0.0,,,0.0,,,,,,,0.0
CC1CCN(C(=O)CSc2nc(N)cc(N)n2)CC1,CID646575,,0.0,,,,,,,,0.0,,,,,,0.0,
Cc1ccnc(SCC(=O)N2CCC(C(N)=O)CC2)n1,CID667119,,,0.0,0.0,,,,,,,,0.0,,,,0.0,
Cc1cc(C)nc(SCC(=O)N2CCC(C(N)=O)CC2)n1,CID752301,,0.0,,0.0,,,,0.0,,,0.0,0.0,0.0,,,,
NC(=O)C1CCN(C(=O)CSc2ncccn2)CC1,CID752300,,,,,,,,,,,,,,0.0,,,
Nc1cc(N)nc(SCC(=O)N2CCCCC2)n1,CID652687,,0.0,,0.0,,,,,,0.0,,,0.0,,0.0,,
CC1=CC(C)(C)N(C(=O)CCl)c2ccccc21,CID834650,,,,,,,,,,,,,,0.0,,,
CCNC(=O)N1c2ccc(OC)cc2C(C)=CC1(C)C,CID645849,,,,,,,,0.0,,,,,,,,,
CCc1ccc2c(c1)C(C)=CC(C)(C)N2,CID659388,0.0,,,,,,,,,0.0,,,,,,,
CC1=CC(C)(C)Nc2cc(C)c(C)cc21,CID647805,,,,,,,,0.0,,,,,0.0,,,,
CCNC(=O)N1c2ccc(OCC)cc2C(C)=CC1(C)C,CID737989,,,0.0,,,0.0,,,,,,,,,,,
CC1=CC(C)(C)Nc2ccc(C)cc21,CID294062,,,,0.0,,,,,,,,,0.0,,,,
COc1ccc(NC(=O)CSc2nnc(CNC(=O)COc3ccc(Cl)cc3)o2)c(OC)c1,CID3237102,0.0,,,,0.0,,,,0.0,0.0,,0.0,,,,,
O=C(COc1ccc(Cl)cc1)NCc1nnc(SCC(=O)Nc2ccccc2)o1,CID3237698,,,,,0.0,,,,0.0,,0.0,,0.0,,,,0.0
COc1ccc(OC)c(NC(=O)CSc2nnc(CNC(=O)COc3ccc(Cl)cc3)o2)c1,CID3241392,0.0,0.0,,0.0,0.0,,,,0.0,,,0.0,,,,,
CCOc1ccccc1NC(=O)CSc1nnc(CNC(=O)COc2ccc(Cl)cc2)o1,CID3240185,0.0,0.0,,0.0,0.0,,,,0.0,,0.0,,,,,,0.0
COc1ccccc1NC(=O)CSc1nnc(CNC(=O)COc2ccc(Cl)cc2)o1,CID3242235,0.0,,,,0.0,,,,0.0,,0.0,,,,,,
O=C(COc1ccc(Cl)cc1)NCc1nnc(SCC(=O)Nc2ccccc2F)o1,CID3573405,,,,,,,,,,,,,,0.0,,,
C=C(C)Cn1c(SCCN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C,CID986780,,,,,,,,,,0.0,0.0,,,,,,
COCCn1c(SCCN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C,CID2992031,,,,0.0,,,,,,0.0,,,,,,,
CCCCCCn1c(SCCN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C,CID661385,,0.0,,,,,,,,0.0,,,,,,,
CCCCCn1c(SCCN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C,CID646106,0.0,0.0,,0.0,,,0.0,0.0,,0.0,,,0.0,,,,
CC(C)CCn1c(SCCN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C,CID648814,,,,0.0,,,0.0,,,,,,,,,,0.0
C=CCn1c(SCCN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C,CID651317,,0.0,,0.0,,,0.0,0.0,,,,,,,,,
CN(C)CCSc1nc(N)c2c3c(sc2n1)CN(C)CC3,CID664126,,,,,,,,,,0.0,,,,,,0.0,
CCC(O)CNc1nc(SC)nc2sc3c(c12)CCN(C)C3,CID663795,,,,,,,,,,0.0,,,,,,,
CCCSc1nc(N)c2c3c(sc2n1)CN(C)CC3,CID664280,,,0.0,,,,,,,,,,,,,,
CCSc1nc(N)c2c3c(sc2n1)CN(C)CC3,CID663504,,,0.0,,,,,,,0.0,0.0,,,0.0,,,
CSc1nc(SCC(N)=O)c2c3c(sc2n1)CN(C)CC3,CID664994,,,,,0.0,,,,,0.0,,,,,,,
CC(C)Sc1nc(N)c2c3c(sc2n1)CN(C)CC3,CID664398,,,0.0,,,,0.0,,,0.0,,,,,,,
COc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1,CID2915477,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1C,CID2898787,,,,,,,,,,,,,,0.0,,,
O=C(c1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1,CID2891495,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1,CID2899001,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c(C)c1,CID2900050,,,,,,,,,,,,,,0.0,,,
O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1,CID2898037,,,,,,,,,,,,,,0.0,,,
CCC(=O)Nc1ccc(C(=O)N/N=C/c2cccnc2)cc1,CID832922,,,,,,0.0,,,,,,,,,0.0,,
O=C(N/N=C/c1cccnc1)c1ccc([N+](=O)[O-])cc1Cl,CID872204,,,,,,,,,,,,,,,0.0,,
O=C(N/N=C/c1cccnc1)c1ccc([N+](=O)[O-])cc1,CID591492,,,,,,,,,,,,,,,0.0,,
CC(=O)Nc1cccc(C(=O)N/N=C/c2cccnc2)c1,CID771286,,,,,,,,,,,,,,,0.0,,
CCCC(=O)Nc1ccc(C(=O)N/N=C/c2cccnc2)cc1,CID832702,,,,,,,,,,,,,,0.0,,,
O=C(N/N=C/c1cccnc1)c1ccccc1[N+](=O)[O-],CID770699,,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2nnn(CC(=O)c3ccccc3)n2)cc1OC,CID649972,,,0.0,,,0.0,,,,,,,,,,,
O=C(Cn1nnc(-c2ccccc2)n1)c1ccccc1,CID853140,,0.0,0.0,,,0.0,,,,,,,,0.0,,,
CC(=O)Nc1ccc(-c2nnn(CC(=O)c3ccccc3)n2)cc1Cl,CID649986,0.0,,,,,,0.0,,,,,,,0.0,,,
COc1ccc(C(=O)Cn2nnc(-c3ccccc3F)n2)cc1,CID645312,,0.0,,,,,0.0,0.0,,,,,,,,0.0,
CCOc1ccc(-c2nnn(CC(=O)c3cc(OC)ccc3OC)n2)cc1,CID644397,0.0,,0.0,,,,,,0.0,0.0,,0.0,,,,,
COc1ccc(C(=O)Cn2nnc(-c3ccccc3NC(=O)C(F)(F)F)n2)cc1,CID1463734,,,,,,,,,,,,0.0,,,,,
C=CCn1c(SCC(=O)NCC(=O)OCC)nnc1-c1ccccn1,CID663342,,0.0,,0.0,,,,0.0,0.0,,0.0,,0.0,0.0,,0.0,0.0
CCn1c(SCC(=O)C(C)(C)C)nnc1-c1ccccn1,CID936610,,0.0,,,,,,0.0,,,,,,,,0.0,
C=CCn1c(SCC(=O)C(C)(C)C)nnc1-c1ccccn1,CID663305,0.0,0.0,,,,,0.0,0.0,,0.0,,,,,,0.0,
CCn1c(SCC(=O)NC(C)(C)C)nnc1-c1ccccn1,CID2120689,,,,,,,,,,0.0,,,,,,,
Cn1c(SCC(=O)C(C)(C)C)nnc1-c1ccccn1,CID937250,,,,,,,,,,0.0,,,,,,,
CC(C)OC(=O)CSc1nnc(-c2ccccn2)n1C,CID662912,,0.0,,0.0,,,,,0.0,,,,,,,0.0,
O=[N+]([O-])c1ccc(/C=N/c2ccc(Cl)cc2Cl)s1,CID693357,,,,,,,,,,,,,,,0.0,,
Cc1ccsc1/C=N/c1ccc(O)cc1,CID708043,,0.0,,0.0,0.0,,0.0,0.0,,,,,0.0,,,,
Cc1ccc(/C=N/c2ccccc2C#N)s1,CID614713,,,,,,,,,,,,,,,0.0,,
Cc1c(Cl)cccc1/N=C/c1ccc([N+](=O)[O-])s1,CID693468,,,,,,,,,,,,,,0.0,0.0,,
O=[N+]([O-])c1ccc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)s1,CID628390,,,,,,,,,,,,,,,0.0,,
Cc1c(/N=C/c2ccc(Br)s2)cccc1[N+](=O)[O-],CID707786,,,,,,,,,,,,,,,0.0,,
CCCn1c(N/C=C2\C=CC=CC2=O)nc2ccccc21,CID5340435,,,,,,0.0,,,,,,,,,,,
CCCCn1c(N/C=C2\C=C(OC)C=CC2=O)nc2ccccc21,CID5389057,,,0.0,,,0.0,,,,,,,,,,,
CCCn1c(N/C=C2\C=C(OC)C=CC2=O)nc2ccccc21,CID5389052,,,,,,0.0,0.0,,,,,,,,,,
C=CCC1=CC=C/C(=C\Nc2nc3ccccc3n2CC)C1=O,CID6324594,,,,,,,,0.0,,,,,,,,,
O=C1C=CC(Cl)=C/C1=C\Nc1nc2ccccc2[nH]1,CID5332958,,,,,,,,,,0.0,,,,,,,
Cn1c(N/C=C2\C=C(Cl)C=CC2=O)nc2ccccc21,CID5389064,,,,,,,,,,,,0.0,,0.0,,,
C=CCC(NCc1ccccc1)c1ccco1,CID2818344,0.0,,,,,,,,,,,0.0,,,,,
C=CCC(NCc1ccco1)c1ccc(OC)cc1,CID3150628,,,,,,,,,,0.0,,,,,,,
CS(=O)(=O)N(Cc1ccco1)Cc1ccccc1Cl,CID889054,,,,0.0,,,,,,,,,,0.0,,,
C=CCC(NCc1ccco1)c1ccc(OC)cc1OC,CID653273,,,,0.0,,,,,,0.0,,,,,,,0.0
C=C(C)CC(NCc1ccco1)c1ccc(OC)cc1,CID2772050,,,,,,0.0,,,,0.0,,0.0,,,,,
O=C(O)/C=C/C(=O)N(Cc1ccccc1)Cc1ccco1,CID914602,,,,,,,,,,,,,,0.0,0.0,,
CN(C)CCN/C(O)=C1/C(=O)NC2=C(CCCC2)C1=O,CID6398939,,,0.0,,,,,,,,0.0,,,,,,
CCN(CC)CCN/C(O)=C1/C(=O)NC2=C(CCCC2)C1=O,CID6398906,,,,,,,0.0,,,,,,,,,,
CCNCCN/C(O)=C1/C(=O)NC2=C(CCCC2)C1=O,CID6398901,,,,0.0,,,,,,,,,0.0,,,,0.0
CCN(CC)CCCN/C(O)=C1/C(=O)NC2=C(CCCC2)C1=O,CID5552247,,,,,,0.0,,0.0,,,,,,,,,
CCO/C(O)=C1/C(=O)NC2=C(CCCC2)C1=O,CID5516215,,,,,,,,,,,0.0,,,,,,
CCCN/C(O)=C1/C(=O)NC2=C(CCCC2)C1=O,CID5766010,,,,,,,,,,,,,,0.0,,,
COc1ccc(C2C(C(=O)N3CCOCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1O,CID2939219,,,,,,,,0.0,,,,,,,,,
COc1cc(OC)c(C2C(C(=O)N3CCOCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1OC,CID2938131,,,0.0,,,,,0.0,0.0,,0.0,,,,,0.0,
CC1=C(C(=O)N2CCOCC2)C(c2ccccc2F)C2=C(CCCC2=O)N1,CID2943492,,,,0.0,,,,,,,,,,,,,
COc1cc(C2C(C(=O)N3CCOCC3)=C(C)NC3=C2C(=O)CCC3)ccc1OC(C)=O,CID2943434,,,,,,,,0.0,0.0,,,,0.0,,0.0,,
COc1ccc(C2C(C(=O)N3CCOCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c(OC)c1,CID656095,,,,,,0.0,0.0,0.0,0.0,,,,,,,,
CC1=C(C(=O)N2CCOCC2)C(c2ccccc2F)C2=C(CC(C)(C)CC2=O)N1,CID647690,,,,,,,0.0,,,,,,,,,,
COC(=O)Cc1c(C)c2ccc(OCc3nn[nH]n3)cc2oc1=O,CID1960078,,,,,,,,,0.0,,,,,,,,
CCCCc1cc(=O)oc2cc(OCc3nn[nH]n3)c(Cl)cc12,CID665076,,0.0,,,,,,,,,,,,,,,
CCCc1cc(=O)oc2cc(OCc3nn[nH]n3)ccc12,CID3578644,,,,,,0.0,,,,,,,,,,,
Cc1c(C)c2cc(Cl)c(OCc3nn[nH]n3)cc2oc1=O,CID665290,,0.0,,,,0.0,0.0,,,,,,,,0.0,,
CCOC(=O)CCc1c(C)c2ccc(OCc3nn[nH]n3)cc2oc1=O,CID666172,,,,,,,0.0,,,,,0.0,,,,,
CCOC(=O)CCc1c(C)c2ccc(OCc3nn[nH]n3)c(C)c2oc1=O,CID666221,,,,,,,0.0,0.0,,,,,,,,,
COc1cc(-c2nc(-c3ccc(Br)o3)no2)cc(OC)c1OC,CID1517734,0.0,,,,,,,,0.0,,,0.0,,,,,0.0
COc1ccc(Cl)cc1-c1nc(-c2ccc(Br)o2)no1,CID1517735,0.0,,,,,,0.0,,,,,,,,,,
COc1ccc(-c2nc(-c3ccc(Br)o3)no2)cc1OC,CID1521281,1.0,,,,,,,,,,,0.0,,,,0.0,0.0
COc1ccccc1-c1nc(-c2ccc(Br)o2)no1,CID717857,,,,,,,,,0.0,,,0.0,,,,,
COc1ccc(-c2nc(-c3ccc(Br)o3)no2)cc1,CID3981948,,,,,,,,,,,,,,,0.0,,
COC(=O)c1ccc(-c2nc(-c3ccc(Br)o3)no2)cc1,CID717866,0.0,,,,,,0.0,,0.0,,,0.0,,,,,
CC(C)CCn1nnnc1C(c1ccc(F)cc1)N1CCN(C(=O)c2ccco2)CC1,CID655575,,,,,,,,,,0.0,,,,,,0.0,
CCC(C)(C)n1nnnc1C(c1ccc(C)cc1)N1CCN(C(=O)c2ccco2)CC1,CID3209098,,,,,,,,,,0.0,,,,,0.0,,
COc1ccc(OC)c(C(c2nnnn2CCC(C)C)N2CCN(C(=O)c3ccco3)CC2)c1,CID654235,0.0,,,,,,,,0.0,0.0,0.0,,,,,,
CN(C)c1ccc(C(c2nnnn2C(C)(C)C)N2CCN(C(=O)c3ccco3)CC2)cc1,CID649733,,,,,,,,,,0.0,,,0.0,,,,
COc1ccccc1C(c1nnnn1C(C)(C)C)N1CCN(C(=O)c2ccco2)CC1,CID645749,0.0,,,,,,,,,0.0,,,,,,,0.0
CC(C)CCn1nnnc1C(c1ccc(N(C)C)cc1)N1CCN(C(=O)c2ccco2)CC1,CID655528,,,,,,,,,,0.0,,,,,,,0.0
Cc1ccccc1C(=O)Nc1ccccc1N1CCCCC1,CID2340325,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccccc1N1CCCCC1)c1ccccc1F,CID965780,,,,0.0,,,,0.0,,,,0.0,,,,,
Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1[N+](=O)[O-],CID1288456,,,,,,,,,,,,0.0,,,,,
O=C(Nc1ccccc1N1CCCCC1)c1cccc(F)c1,CID889333,,,0.0,0.0,,,,,,,,0.0,0.0,,,0.0,
CC1CCN(c2ccccc2NC(=O)c2ccc(C#N)cc2F)CC1,CID953674,,,,,,,,,,,,,,,0.0,,
CC1CCN(c2ccccc2NC(=O)c2ccc(F)cc2)CC1,CID953673,,,,,,,,,,,,0.0,,,,,
COc1ccc(Br)cc1CNC(=O)C1CCCN(c2nc3ccccc3o2)C1,CID3242221,0.0,,,,,,,,,,0.0,,,,,0.0,
COc1ccc(OC)c(CNC(=O)C2CCCN(c3nc4ccccc4o3)C2)c1,CID3241640,,,0.0,0.0,0.0,0.0,0.0,0.0,,,,,,,,,
Cc1ccc(CNC(=O)C2CCCN(c3nc4ccccc4o3)C2)cc1,CID3622788,0.0,,,,0.0,,,0.0,,,,,,,,0.0,
COc1ccc(CNC(=O)C2CCCN(c3nc4ccccc4o3)C2)c(OC)c1,CID3238229,,,,,0.0,,0.0,0.0,,,,,0.0,,,,
COc1cccc(CNC(=O)C2CCCN(c3nc4ccccc4o3)C2)c1,CID3240991,0.0,0.0,,,0.0,0.0,,,,,,,,,,,
CCOc1ccccc1CNC(=O)C1CCCN(c2nc3ccccc3o2)C1,CID3237293,,,0.0,,0.0,,,,,,,0.0,,,,,0.0
COc1ccc(C(=O)NCc2nnc(SCC(=O)N3CCCCC3)o2)cc1,CID4140680,,,,,,,,,,,,,,,0.0,,
COc1cc(C(=O)NCc2nnc(SCC(=O)N3CCCCC3)o2)cc(OC)c1OC,CID3235759,,,,,0.0,,,0.0,,,0.0,,0.0,,,,
COc1ccc(C(=O)NCc2nnc(SCC(=O)N3CCCCC3)o2)cc1OC,CID3242245,,,,,,0.0,0.0,,,,0.0,0.0,,,,,0.0
COc1cc(C(=O)NCc2nnc(SCC(=O)N3CCC(C)CC3)o2)cc(OC)c1OC,CID3237753,,,,,0.0,,0.0,,,,,,,,,,0.0
COc1ccc(C(=O)NCc2nnc(SCC(=O)N3CCC(C)CC3)o2)cc1OC,CID3244535,,,0.0,,0.0,,,,,,,,,0.0,,0.0,0.0
CCC1CCCCN1C(=O)CSc1nnc(CNC(=O)c2cc(OC)c(OC)c(OC)c2)o1,CID3240121,,,,,0.0,,,0.0,0.0,0.0,0.0,,,0.0,,,0.0
CC(C)CCNC(=O)Cn1cc2c(n1)CCCCC2,CID5309220,,,,,,,,0.0,,,,,0.0,,,,
CCOCCCNC(=O)Cn1cc2c(n1)CCCCC2,CID5307642,,,,,,,,0.0,,,,,,,,,
COCCNC(=O)Cn1cc2c(n1)CCCCC2,CID5308130,,,,,,,,0.0,,,,,,,,,
COCCCNC(=O)Cn1cc2c(n1)CCCCC2,CID5309509,,,,0.0,,,,0.0,,,,,,,,,
O=C(O)Cn1cc2c(n1)CCCCC2,CID3238266,,,,,,,,,,,,,0.0,,,,
CCCSCCCNC(=O)Cn1cc2c(n1)CCCCC2,CID5309883,,,0.0,,,,,,,,,,,,,,
COCc1cc(=O)nc(Nc2nc3ccccc3o2)[nH]1,CID659163,,,,,,0.0,0.0,0.0,,,,,,,0.0,0.0,
Cc1cc(=O)nc(Nc2nc3ccccc3o2)[nH]1,CID695290,,,,,,0.0,,,,,,,,,,,
COCc1cc(=O)nc(Nc2nc3ccc(C)cc3o2)[nH]1,CID659383,,,,0.0,,,,,0.0,,,,,,0.0,,
CCOC(=O)Cc1cc(=O)nc(Nc2nc3ccccc3o2)[nH]1,CID831684,,0.0,,0.0,,,,,,,,,0.0,,,,
COC(=O)Cc1cc(=O)nc(Nc2nc3ccccc3o2)[nH]1,CID795363,,0.0,,0.0,,,,0.0,0.0,,,,,,0.0,,
Cc1ccc2oc(Nc3nc(=O)cc(C)[nH]3)nc2c1,CID760274,,,,,,0.0,,,,,,,,,,,
CCOC(=O)CN1C(=O)NC(C)(c2ccc(OC(F)F)cc2)C1=O,CID2999585,,,,0.0,,,,,,,,,,,,,0.0
CCCNC(=O)NC(=O)CN1C(=O)NC(C)(c2ccc(C)cc2)C1=O,CID2999245,,0.0,,,,,,0.0,,,,,,,,,
CCCOc1ccc(C2NC(=O)NC2=O)cc1,CID657645,,,,,,,,0.0,,,,,,,,,
CC(C)Oc1ccc(C2NC(=O)NC2=O)cc1,CID578335,,,,,,,0.0,0.0,,,,,0.0,,,,
CCCCCOc1ccc(C2NC(=O)NC2=O)cc1,CID539221,0.0,,,0.0,,,,0.0,,,,0.0,,,,,
Cc1ccc(C2(C)NC(=O)N(CC(=O)NC(=O)NCCC(C)C)C2=O)cc1,CID2999997,,,,,,,0.0,,,,,,0.0,,,0.0,
CCCCN(CC)CCCNC(=O)c1cc2cc3ccc(OC)cc3nc2o1,CID3245431,,,,,,,,,0.0,0.0,,,,,,0.0,
CCCCN(CC)C(=O)c1cc2cc3ccc(OC)cc3nc2o1,CID6619538,,,,,,0.0,,,0.0,,,,,,,,
COc1ccc2c(OC)c3ccoc3nc2c1OC,CID6760,,,,,,,,,,,,,,0.0,,,
Cc1ccc2cc3cc(C(=O)NCCC(C)C)oc3nc2c1,CID3240487,,,,,0.0,,,0.0,,,,,0.0,,,0.0,
CCCN(CCC)CCCNC(=O)c1cc2cc3ccc(OC)cc3nc2o1,CID3236862,,,0.0,,,0.0,0.0,0.0,,,,,0.0,,,,
COc1c2ccoc2nc2c(OC)c(OCC(O)C(C)(C)O)ccc12,CID73416,,,,,0.0,,,0.0,,,,,,,,,
COc1ccc(NC(=O)c2cc(-c3cccs3)on2)cc1OC,CID3236859,,0.0,0.0,,0.0,0.0,0.0,0.0,,,0.0,,0.0,,,,
COC(=O)c1ccccc1NC(=O)c1cc(-c2cccs2)on1,CID3238663,0.0,0.0,0.0,,0.0,,,,,,,,0.0,0.0,,,
COc1cc(NC(=O)c2cc(-c3cccs3)on2)cc(OC)c1OC,CID3242393,0.0,,0.0,,0.0,,,0.0,,,,,,,,,
O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2cccs2)on1,CID3240610,0.0,,,,0.0,,,,,,,,,,,,
CSc1ccccc1NC(=O)c1cc(-c2cccs2)on1,CID3238100,,,,,0.0,,,,,0.0,,,0.0,,,,
Cc1ccc(NC(=O)c2cc(-c3cccs3)on2)cc1,CID2745202,,,,,,,,,,,0.0,0.0,,,0.0,,
O=C(NCc1ccco1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1,CID1296911,0.0,,0.0,0.0,,,,,,,,,0.0,,,,0.0
Cc1ccc(C(=O)NCc2ccco2)cc1S(=O)(=O)N1CCOCC1,CID1216392,,,,,,,,,,0.0,0.0,,,,,,
O=C(NCc1ccco1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl,CID1107138,,,0.0,,,,,,,,,,0.0,,,,
O=C(NCc1ccco1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl,CID653205,,,,,,,,,,0.0,,,,,,,
O=C(NCc1ccco1)c1cccc(S(=O)(=O)N2CCOCC2)c1,CID1369584,,0.0,,,,,0.0,,,,,,,,,,
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccco1,CID2334713,,,,,,,,,,,,,0.0,,,0.0,
C=CCN(C(=O)CNS(=O)(=O)c1ccccc1)C(C(=O)NCCOC)c1ccncc1,CID645212,,,0.0,0.0,0.0,,,,0.0,,,0.0,0.0,,,0.0,
CN(CC(=O)NCc1ccncc1)S(=O)(=O)c1ccccc1,CID890983,,,,,,,,,,,,0.0,,,0.0,,
CN(CC(=O)NCc1ccncc1)S(=O)(=O)c1ccc(F)cc1,CID1085410,,,,,,,,,,0.0,,,,,,,
CC(NS(=O)(=O)c1ccc(F)cc1)C(=O)NCc1ccncc1,CID2969202,,0.0,,,,,,,,,,,,0.0,,,0.0
Cc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccncc2)cc1,CID770945,,,,,,,,,0.0,,,0.0,,,,,
Cc1ccc(S(=O)(=O)NCC(=O)NCc2ccncc2)cc1,CID1210753,,,,,,,,,0.0,,,,,,,,
O=C(CSCC(=O)N1CCCCC1)Nc1nc(-c2ccc(Cl)s2)cs1,CID2158858,,,,,0.0,,,,0.0,,,,,0.0,,,
CC1CCN(C(=O)CSCC(=O)Nc2nc(-c3cccs3)cs2)CC1,CID2158843,,,,,0.0,,,,,,,,,0.0,,,
O=C(CSCC(=O)N1CCCCC1)Nc1nc(-c2cccs2)cs1,CID2158847,,,,,0.0,,,,0.0,,,,,0.0,0.0,,
CC1CCCCN1C(=O)CSCC(=O)Nc1nc(-c2cccs2)cs1,CID4155687,,,,0.0,0.0,,,,,,,,,,,,
CC1CC(C)CN(C(=O)CSCC(=O)Nc2nc(-c3cccs3)cs2)C1,CID4460802,,,,,0.0,,,,,,,,,,,,
CC1CCCN(C(=O)CSCC(=O)Nc2nc(-c3cccs3)cs2)C1,CID4592264,0.0,,,,0.0,,,,,,,,0.0,,,,
CC(=O)NC(C1C(=O)CC(C)(C)CC1=O)(C(F)(F)F)C(F)(F)F,CID973820,,,,,,,,,0.0,,,,,,,,0.0
CCSC(C)CC1CC(=O)CC(=O)C1,CID3116068,,,,,,,0.0,,,,,,,,,,
COC(=O)CCCCC(=O)C1C(=O)CC(C)(C)C(C(=O)OC)C1=O,CID3743979,,,,,,,,,,,,,0.0,,,,
CCCC(=O)C1C(=O)CC(CC(C)SCC)CC1=O,CID2834754,,,,,,,,,0.0,,,,,,,,
CCOC(=O)C(O)(C1C(=O)CC(C)(C)CC1=O)C(F)(F)F,CID659895,,,,,,,,,,,,,,,,,0.0
CCOC(=O)C1C(=O)CC(=O)CC1CC(C)SCC,CID2834786,,,,,,,0.0,,,,,,,,,,
CC(=O)Nc1cccc(-c2csc(Nc3ccc(C)cn3)n2)c1,CID2958469,,,,,,,,,,,,,,,0.0,,
COc1ccc(-c2csc(Nc3ncccc3C)n2)cc1,CID972796,,,,,,,,,,0.0,,0.0,,,,,
COc1ccc(-c2csc(Nc3ncccc3C)n2)cc1OC,CID973120,,,,,,,,,,,0.0,,,0.0,,,
Cc1cccnc1Nc1nc(-c2ccc(O)cc2O)cs1,CID653114,,,0.0,0.0,0.0,0.0,,,,,0.0,,,,,,
Cc1cccnc1Nc1nc(-c2ccc(O)cc2)cs1,CID973160,,,,,,,,,,,0.0,,,,,,
CC(=O)Nc1cccc(-c2csc(Nc3ccccn3)n2)c1,CID1092456,,,,,,,,,,,,0.0,,,,,
CCOc1ccc2[nH]c(C)c(CN3CCN(CC)CC3)c(=O)c2c1,CID832288,,0.0,,,,,,,,,,,,,,,
CCOC(=O)c1ccc2[nH]c(C)c(CN3CCN(C)CC3)c(=O)c2c1,CID731038,,,0.0,,,,,,,,,,,,,,
CCN1CCN(Cc2c(C)[nH]c3ccc(OC)cc3c2=O)CC1,CID645964,,0.0,0.0,,,,,,,,,,0.0,,,,
CCN1CCN(Cc2c(C)[nH]c3ccc(C(=O)OC)cc3c2=O)CC1,CID730969,,0.0,0.0,,,,0.0,,,,,,,,,,
Cc1ccc2[nH]c(C)c(CN3CCN(C)CC3)c(=O)c2c1,CID710640,,,,,,0.0,,,,,,,,,,,
CCOc1ccc2[nH]c(C)c(CN3CCN(C)CC3)c(=O)c2c1,CID696565,,,,,,,,,,0.0,,,,,,,
O=C(Nc1cccc(O)c1)c1cnn2cccnc12,CID1250457,,,,,,,,,0.0,,,0.0,,0.0,,,
O=C(Nc1cccc(Cl)c1)c1cnn2cccnc12,CID2226541,,0.0,0.0,0.0,,,,,,,,,,,0.0,,
COC(=O)c1ccccc1NC(=O)c1cnn2c(C)cc(C)nc12,CID1097818,,,,,,,,,,,,,,0.0,0.0,,
Cc1cc(C)n2ncc(C(=O)Nc3cccc(O)c3)c2n1,CID1097823,,,,,,,,,,,,,,0.0,0.0,,
COC(=O)c1ccccc1NC(=O)c1cnn2cccnc12,CID2231092,,,,,,,,,,,,,,0.0,,,
COc1cc(NC(=O)c2cnn3c(C)cc(C)nc23)c(OC)cc1Cl,CID1097831,0.0,0.0,,0.0,,,,,,,,,,,,0.0,0.0
COC(=O)c1ccc(Cl)c(NC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)c1,CID2227163,,,,,,,,,0.0,,,,0.0,0.0,,,
COC(=O)c1cc(NC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)ccc1Cl,CID1254353,,,,0.0,,,0.0,,0.0,,,,,,,,
COC(=O)c1ccc(C)c(NC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)c1,CID2237549,,0.0,,0.0,,,,,,0.0,,,,,,0.0,
COC(=O)c1cccc(NC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)c1C,CID1265880,,,,,,,,0.0,,0.0,0.0,,,,,0.0,
CC(C)NC(=O)c1ccccc1NC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O,CID2227640,,,0.0,,0.0,,,0.0,,0.0,,,0.0,,0.0,0.0,
COCCNC(=O)c1ccccc1NC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O,CID2225058,,,,,0.0,,,,0.0,,0.0,,,,,,
CCC(=O)N1CCN(c2ccccc2NC(=O)Cc2ccccc2)CC1,CID2944636,,,,,,,,0.0,,0.0,,,,,,,0.0
CCC(=O)N1CCN(c2ccccc2NC(=O)Cc2ccc(Cl)cc2)CC1,CID2944253,,,,0.0,,,0.0,,,,0.0,,,,,,
CC(C)C(=O)N1CCN(c2ccccc2NC(=O)Cc2ccc(Cl)cc2)CC1,CID654745,0.0,,,,,,,,,,0.0,,0.0,,,,0.0
CS(=O)(=O)N1CCN(c2ccccc2NC(=O)Cc2ccccc2)CC1,CID1018009,0.0,,,,0.0,,,,,,0.0,,,,,,0.0
CS(=O)(=O)N1CCN(c2ccccc2NC(=O)Cc2ccc(Cl)cc2)CC1,CID979893,0.0,,,,0.0,,,,,,,0.0,,,,,0.0
CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)Cc2ccccc2)CC1,CID2968193,0.0,,,,,,,,,,,,0.0,,0.0,0.0,0.0
COc1c(C)cc(Br)cc1C(=O)Nc1ccc(Cc2ccncc2)cc1,CID1299110,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1Br,CID2222725,,,,,,,,,,,,,,,0.0,,
COc1cccc(OC)c1C(=O)Nc1ccc(Cc2ccncc2)cc1,CID953647,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1[N+](=O)[O-],CID776746,,,,,,0.0,,,,,,0.0,,,,,
COc1ccc(Br)cc1C(=O)Nc1ccc(Cc2ccncc2)cc1,CID1363467,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccc(Cc2ccncc2)cc1)c1cccc([N+](=O)[O-])c1,CID823709,,,,,,,,,,,,,,0.0,,,
CC(C)NS(=O)(=O)c1ccc(CCC(=O)NCc2cccnc2)cc1,CID652339,,,,,,,,,0.0,,,,,0.0,,0.0,
CC(C)CNS(=O)(=O)c1ccc(CCC(=O)NCc2cccnc2)cc1,CID1211089,,,,,,,,,0.0,,,,,,,,
O=C(CCc1ccccc1)NCc1cccnc1,CID673359,,,,,,0.0,,,,0.0,,0.0,,,,,
CCCNS(=O)(=O)c1ccc(CCC(=O)NCc2cccnc2)cc1,CID649448,,0.0,,,,,0.0,,,,,,,0.0,,0.0,
CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)NCc2cccnc2)cc1,CID1090666,,,,,,,,,0.0,,0.0,,,,,,
CC(CC(=O)NCc1cccnc1)c1ccccc1,CID3148061,,,,,,,,,,0.0,,,,,,,
Cc1nc2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2s1,CID1536986,,,,,,0.0,,,,,,,,0.0,0.0,,
Cc1nc2ccc(NS(=O)(=O)c3c(C)c(C)cc(C)c3C)cc2s1,CID2329869,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)Nc2ccc3nc(N)sc3c2)cc1,CID652854,,,,,0.0,0.0,0.0,,0.0,,,,0.0,,,,
CSc1nc2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc2s1,CID2494850,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccc(S(=O)(=O)Nc2ccc3nc(C)sc3c2)cc1,CID2161807,,,,,,0.0,,,0.0,,0.0,,,0.0,,,
COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)Nc2ccc3nc(SC)sc3c2)c1OC,CID2542879,,,,,,,,,,,,,,,0.0,,
COc1cc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc(OC)c1,CID3238487,,0.0,0.0,,0.0,,,0.0,0.0,,,,,,,0.0,
COc1ccccc1NC(=O)Cc1nn(C)c(=O)c2ccccc12,CID758934,,,,,0.0,,,,0.0,,,,,,0.0,,
COc1cccc(OC)c1NC(=O)Cc1nn(C)c(=O)c2ccccc12,CID654064,,,,,0.0,,,,0.0,,,,,,0.0,,
Cc1ccc(F)cc1NC(=O)Cc1nn(C)c(=O)c2ccccc12,CID3235682,,,0.0,,,,0.0,,,,,0.0,,,,,
COc1ccc(OC)c(NC(=O)Cc2nn(C)c(=O)c3ccccc23)c1,CID2278670,,,,0.0,0.0,,0.0,0.0,0.0,,,,,,0.0,,
Cc1ccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1F,CID2975205,,,,,,0.0,,,,,,,,,,,
COc1cccc(C(=O)NC2CCSC2=O)c1,CID654675,,,,0.0,0.0,,0.0,,,,,,,,,,
O=C(NC1CCSC1=O)c1ccc(Cl)cc1,CID2769118,,,,,,,,,,,,,,0.0,,,0.0
O=C(NC1CCSC1=O)c1cccc(Cl)c1,CID2769116,,,,,,,,,,,,,,0.0,,,
CC(C)C(=O)Nc1cccc(C(=O)NC2CCSC2=O)c1,CID2939482,,0.0,,0.0,0.0,,0.0,,,,,,,,0.0,0.0,
CC(C)C(=O)Nc1ccc(C(=O)NC2CCSC2=O)cc1,CID653613,,,,,0.0,,0.0,,,,,,,,,,
COc1cc(OC)cc(C(=O)NC2CCSC2=O)c1,CID645432,,,0.0,,0.0,,0.0,0.0,,,,,,,,,
CCOC(=O)C1CCCN(C(=O)c2cc3cc(Br)ccc3oc2=O)C1,CID4559154,,,,,,,,,,,,,,,0.0,,
COC(=O)C1CCN(C(=O)c2cc3ccccc3oc2=O)CC1,CID2235340,,,,,,,,,,0.0,,0.0,,,,,
COc1cccc2cc(C(=O)N3CCC(C)CC3)c(=O)oc12,CID709816,,0.0,,,,,0.0,,0.0,0.0,0.0,,0.0,0.0,,0.0,
CCC1CCCCN1C(=O)c1cc2cc(Br)ccc2oc1=O,CID2968734,0.0,,,,,,0.0,,0.0,,,,,,,,
COc1cccc2cc(C(=O)N3CCCCC3C)c(=O)oc12,CID2955758,,,,,,,,,0.0,0.0,0.0,,,,,,
COc1cc(Br)cc2cc(C(=O)N3CCCCC3C)c(=O)oc12,CID2955222,,,,,,,0.0,,0.0,,0.0,0.0,,,,,0.0
CCCCn1c(N)c(Sc2ccc(Cl)cc2)c(=O)[nH]c1=O,CID2379433,,,,,,,,,,0.0,,,,,,,
CCCCn1c(N)c(Sc2ccc(C)cc2)c(=O)[nH]c1=O,CID2366350,,0.0,,0.0,0.0,,,,,,0.0,,,0.0,,,
CCCn1c(N)c(Sc2ccc(C)cc2)c(=O)n(CCC)c1=O,CID2366352,,,,,,,,,,,,,,0.0,,,
CCCn1c(N)c(Sc2ccccc2)c(=O)n(CCC)c1=O,CID2366348,,,,,,,,,,,0.0,,,,,,
CCCn1c(N)c(Sc2ccc(Cl)cc2)c(=O)n(CCC)c1=O,CID2366349,0.0,0.0,,0.0,0.0,,,,,,,,,,,,0.0
CCCCn1c(N)c(Sc2ccccc2)c(=O)[nH]c1=O,CID2379432,,,,,,,,,,0.0,,,,0.0,,,
C=CCn1c(-c2csc(-c3ccc(OC)c(OC)c3)n2)n[nH]c1=S,CID1478843,,,,,,,,,,,,,,0.0,,,
C=CCn1c(-c2csc(-c3ccccc3)n2)n[nH]c1=S,CID1475943,,,,,,,,,0.0,0.0,,,,,,,
C=CCn1c(-c2csc(-c3ccc(Cl)cc3)n2)n[nH]c1=S,CID1478827,,,,,,,,,0.0,,,,,,0.0,,
CCn1c(-c2csc(-c3ccccc3)n2)n[nH]c1=S,CID1478757,,,,,,,,,0.0,0.0,,,,0.0,,,
CCn1c(-c2csc(-c3ccc(Cl)cc3)n2)n[nH]c1=S,CID1478815,,,,,,,,,0.0,,,,,,,,
Cn1c(-c2csc(-c3ccccc3)n2)n[nH]c1=S,CID1478796,,,,,,,,,,,,,,0.0,0.0,,
CC(=O)c1cccc(NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)c1,CID1210837,,,,,,,,,,0.0,,,,,,,
CC(=O)c1cccc(NC(=O)c2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)c1,CID1308091,,,,,,,,,0.0,0.0,,,,,,,
CCOc1ccccc1NC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1,CID1095170,,,,,,0.0,,,,,,,,,,,
CC(=O)c1cccc(NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c1,CID1106292,,,,,,,,,,,0.0,,,,,,
CC(=O)c1cccc(NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c1,CID1109500,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c(OC)c1,CID1098084,,,,,,0.0,,,,,,,,,,,
CC(=O)Oc1ccc(C(=O)Nn2cnnc2)cc1,CID743761,,,,,,,,,0.0,,0.0,,,,,,
COc1ccc(C(=O)Nn2cnnc2)c(OC)c1,CID936109,,,,,,,,,0.0,,,,,,0.0,,
CCOc1ccc(C(=O)Nn2cnnc2)cc1,CID669400,,0.0,,0.0,,,,,0.0,,,,0.0,0.0,0.0,,
CCCCOc1ccc(C(=O)Nn2cnnc2)cc1,CID660181,,0.0,,0.0,,,,0.0,0.0,,,0.0,,0.0,,,
COc1cccc(C(=O)Nn2cnnc2)c1,CID814685,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)Nn2cnnc2)cc1,CID814682,,,,,,,,,0.0,,,0.0,,0.0,,,
CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)Nc3ccc(CC)cc3)ccc21,CID3243002,,,,0.0,,,,0.0,0.0,,,,0.0,,,,
CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)Nc3cccc(F)c3)ccc21,CID3245437,,,,,,,0.0,0.0,,,0.0,,,,,,
CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)Nc3cccc(F)c3)ccc21,CID3245513,,,0.0,,,,,,,,,,,,,,
CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)Nc3ccc(F)c(F)c3)ccc21,CID3236119,,,,0.0,0.0,,,,,,,,,,,,0.0
COc1ccc(C)cc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O,CID15994366,,,,,,,,,,,,,,0.0,,,
CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)Nc3ccc(C)c(F)c3)ccc21,CID3236315,,,,,,,0.0,0.0,,,,,0.0,,0.0,,
COC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccc(OC)cc1,CID1363481,,,,,,0.0,,,,,,,,,,,
CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2F)cc1,CID992712,,,,,,,,,,,,,,,0.0,,
Cc1ccc(Cl)cc1N(Cc1ccc(C(N)=O)cc1)S(=O)(=O)c1ccccc1,CID1076736,,,,,,0.0,,,,,,,,,,,
O=C(O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1,CID2389222,,,,,,,,,,,,,,0.0,0.0,,
C=CCNC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1,CID2395779,,,,,,,,,,,,,,,0.0,,
COc1ccccc1N(Cc1ccccc1)S(=O)(=O)c1cccc(C(=O)O)c1,CID2396426,,,,,,,,,,,,,,0.0,0.0,,
CC(C)C(NC(=O)CCn1nnc2ccccc2c1=O)C(=O)O,CID666201,,0.0,,0.0,,,,,,,,,0.0,,,,
COCC(=O)OCn1nnc2ccccc2c1=O,CID3245773,,,,,,,0.0,0.0,,,,,,,,,
CSCCC(NC(=O)CCn1nnc2ccccc2c1=O)C(=O)O,CID666724,,,0.0,,,,0.0,,,,0.0,,,,,0.0,0.0
O=C(O)CCCCCNC(=O)CCn1nnc2ccccc2c1=O,CID667083,,0.0,,,,,,,,0.0,,,,,,,
CCCn1nnc2ccccc2c1=O,CID902501,,,,,,0.0,,,,,,,,,,,
CC(=O)OCn1nnc2ccccc2c1=O,CID646634,,,,,,,,0.0,,,,,,,,,
CC1CCc2[nH]nc(C(=O)O)c2C1,CID655114,,,0.0,,,,,,,,,,,,,,
CCCNC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2,CID2056737,,,,,,,,,0.0,,,,,,,,
CCC1CCc2[nH]nc(C(=O)O)c2C1,CID3159641,,,,,,,,,,,,0.0,,,,,
O=C(O)c1n[nH]c2c1CCCC2,CID648852,,,,,,,0.0,,,,,,,,,,
CC(C)(C)C1CCc2[nH]nc(C(=O)O)c2C1,CID3240332,,,,,,,0.0,0.0,,0.0,0.0,,0.0,,,,0.0
CCC(C)NC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2,CID3136365,,,,,,,,,0.0,,,,,,,,
O=C(Oc1ccc(Br)cc1)C1CC(=O)N(c2ccc(F)cc2)C1,CID2961637,0.0,,,,,,0.0,,0.0,,0.0,,,,,,0.0
COc1ccccc1OC(=O)C1CC(=O)N(c2ccc(Cl)cc2)C1,CID2961012,,0.0,,0.0,,,,,,0.0,,,,,,0.0,0.0
CC(=O)c1ccc(OC(=O)C2CC(=O)N(c3cccc(C)c3)C2)cc1,CID2960972,,0.0,,,,,0.0,,,,0.0,,0.0,,,,
CCOc1ccc(N2CC(C(=O)Oc3ccccc3)CC2=O)cc1,CID2998401,0.0,,,,,,,0.0,,,,,,,,,0.0
COC(=O)c1ccc(OC(=O)C2CC(=O)N(c3ccc(C)cc3C)C2)cc1,CID2961532,,,,,,,,,,,,,0.0,,,,
COC(=O)c1ccc(OC(=O)C2CC(=O)N(c3cccc(C)c3)C2)cc1,CID2960914,,,,,,,,0.0,,,,,,,,,
COc1cccc(N2C(=O)C3C(C2=O)C2C=CC3C23CC3)c1,CID655934,,,,,,,,0.0,,,,,,,,,
COC(=O)c1ccccc1N1C(=O)C2C(C1=O)C1C=CC2C12CC2,CID3236195,,,,,,,,,,,,,0.0,,,,
Cc1ccc(N2C(=O)C3C(C2=O)C2C=CC3C23CC3)cc1,CID2832419,,,,,,,,,,,,,,,,,0.0
CCOc1ccc(C(C)=O)cc1N1C(=O)C2C(C1=O)C1C=CC2C12CC2,CID3757657,,,,,,,,,,,0.0,,,,,,
CC(=O)Oc1cccc(N2C(=O)C3C(C2=O)C2C=CC3C23CC3)c1,CID2887818,,,0.0,,,,,,,,,,,,,,0.0
COc1ccc(N2C(=O)C3C(C2=O)C2C=CC3C23CC3)c(OC)c1,CID661471,,,,,,,,,,,,,,,,,0.0
CC(=O)c1c(C)n([O-])c2ccccc2[n+]1=O,CID404291,,,,,,,,,,,,,,,,0.0,
CC(=O)c1c(C)n([O-])c2ccc(C)cc2[n+]1=O,CID510567,,,,,,,,,,0.0,,,0.0,,,,
COc1ccc2c(c1)[n+](=O)c(C(C)=O)c(C)n2[O-],CID366464,,,,,,0.0,,,,,,,,,,,
COc1ccc2c(c1)n([O-])c(C)c(C(C)=O)[n+]2=O,CID659864,,,,,,,,,,,0.0,,,,,,
CC(=O)OCc1c(COC(C)=O)[n+](=O)c2ccccc2n1[O-],CID24944,,,,,,,0.0,,,,,,0.0,,,,
CC(=O)c1c(C)n([O-])c2cc(C)ccc2[n+]1=O,CID659760,,,,,,,,,,0.0,,,,,,,
Cc1ccccc1-c1nc(CS(=O)CC(=O)N2CCC3(CC2)OCCO3)c(C)o1,CID3236698,,,,,,0.0,,,,0.0,,,0.0,,,0.0,
Cc1oc(-c2ccc(Cl)cc2)nc1CS(=O)CC(=O)N1CCC2(CC1)OCCO2,CID3237713,0.0,,,0.0,,,0.0,,0.0,,,,0.0,,,,
Cc1oc(-c2ccccc2F)nc1CS(=O)CC(=O)N1CCC2(CC1)OCCO2,CID3239900,,,,,,,0.0,0.0,,0.0,,,,,,,
COc1cccc(-c2nc(CS(=O)CC(=O)N3CCC4(CC3)OCCO4)c(C)o2)c1,CID3239496,,,,,,,,,,0.0,,,,,,0.0,
COc1ccc(-c2nc(CS(=O)CC(=O)N3CCC4(CC3)OCCO4)c(C)o2)cc1,CID3243406,,,,,,,,,,0.0,,,,,,0.0,
Cc1ccc(-c2nc(CS(=O)CC(=O)N3CCC4(CC3)OCCO4)c(C)o2)cc1,CID3245382,,,,,,,,,,,,,,,,,0.0
CCOc1ccccc1Nc1nc(=O)c(Cc2ccccc2Cl)n[nH]1,CID2154281,,,,,,,0.0,,,,,,,,,0.0,
COc1ccc(Nc2nc(=O)c(Cc3ccc(Cl)cc3)n[nH]2)c(OC)c1,CID2154263,,,,,,,0.0,,,,,,,,0.0,0.0,0.0
COc1ccc(Nc2nc(=O)c(Cc3ccccc3)n[nH]2)c(OC)c1,CID2153952,,,0.0,,,,,,,,,,,,,,
CCOc1ccc(Nc2nc(=O)c(Cc3ccc(OC)cc3)n[nH]2)cc1,CID2153910,,,,,,,,,,,,,,,0.0,,
COc1ccc(Cc2n[nH]c(Nc3ccc(C)cc3C)nc2=O)cc1,CID2153913,,0.0,0.0,,,,0.0,,,,0.0,0.0,,,,,0.0
COc1ccc(Nc2nc(=O)c(Cc3ccccc3Cl)n[nH]2)cc1,CID2154278,,0.0,0.0,,,,,,,,,0.0,0.0,,0.0,,0.0
CNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n1C,CID3237091,,,0.0,,,,0.0,,0.0,,,,,,,,
CCN(CC)C(=O)c1cc2c(=O)n3cccc(C)c3nc2n1C,CID3236713,,,0.0,0.0,,,,,,,,,,,,,
CCOCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n1C,CID4621896,,0.0,,0.0,,,,,,0.0,,,0.0,,,,
CCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n1C,CID3244791,,0.0,0.0,,,,0.0,,,,,,0.0,,,,
CCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n1C,CID5001188,,,,,,,0.0,0.0,,,,,,,,,
Cc1cccn2c(=O)c3cc(C(=O)N(C)C)n(C)c3nc12,CID3239415,,0.0,,0.0,,,,0.0,,,,,,,,,
NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1c1ccc(CC(=O)O)cc1,CID2423771,,,,,,,,,,,,,,,0.0,,
Cc1cccc(N2CC(=O)C(c3nc4ccccc4n3C)=C2N)c1,CID4182904,,,,,,,,,,,0.0,,,,,,
CC1C(=O)C(c2nc3ccccc3[nH]2)=C(N)N1c1ccccc1,CID2940863,,0.0,,,,,,,0.0,,0.0,,,,,0.0,
CC1(C)C(=O)C(c2nc3ccccc3[nH]2)=C(N)N1c1ccccc1,CID1402540,,,,,,0.0,,,0.0,,,,,,,,
NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1c1ccc(F)cc1,CID2449224,,,,,,,,,,,,0.0,,,0.0,,
NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1c1ccccc1,CID892339,,,,,,,,,,,0.0,,0.0,,,0.0,
CCOC(=O)c1c(NC(=O)c2cccnc2)sc(C)c1C,CID718827,,,,,,,,,,,0.0,0.0,,,,,
Cc1c(C(=O)OC(C)C)sc(NC(=O)c2cccnc2)c1C#N,CID868714,,,,,,0.0,,,,,,,,,,,
COC(=O)c1c(NC(=O)c2cccnc2)sc(C)c1C,CID705283,,,,,,,,,,0.0,0.0,,,,,,
COC(=O)c1cc(C)sc1NC(=O)c1cccnc1,CID1245092,,0.0,,,,,0.0,0.0,,0.0,,0.0,,,,,
CCOC(=O)c1sc(NC(=O)c2cccnc2)c(C#N)c1C,CID868985,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1c(NC(=O)c2cccnc2)sc(C(C)=O)c1C,CID896008,,,,,,,,,,,,,,0.0,,,
CCCCOc1ccc(-c2nnn(CC(=O)NCc3ccco3)n2)cc1,CID644791,0.0,,0.0,0.0,,,,,,,,0.0,,,,,
CCOC(=O)c1ccc(CNC(=O)Cn2nnc(-c3ccc(C)cc3)n2)o1,CID1262815,,,,,,,,0.0,,,,,,0.0,,,0.0
O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NCc1ccco1,CID863227,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(-c2nnn(CC(=O)NCc3ccco3)n2)cc1OCC,CID1175335,,,,,,,,,,,0.0,0.0,,,,,
CCOC(=O)c1ccc(CNC(=O)Cn2nnc(-c3ccccc3F)n2)o1,CID1512022,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(-c2nnn(CC(=O)NCc3ccco3)n2)cc1,CID644706,,0.0,0.0,0.0,,,0.0,,,,,,,,0.0,,
Cn1c(SCC(=O)O)nnc1C1CCCCC1,CID651175,,,,,,,,0.0,,0.0,,,,,0.0,,0.0
C=CCn1c(SCC(=O)NC(=O)NCC(C)C)nnc1C1CCCCC1,CID2997597,,,0.0,,,,0.0,0.0,,,0.0,,0.0,,,,
CCn1c(SCC(=O)O)nnc1C1CCCCC1,CID650635,,,,0.0,,,0.0,,,,0.0,0.0,0.0,,,0.0,
C=CCn1c(SCC(=O)/C(C#N)=C(\C)N)nnc1C1CCCCC1,CID5742448,,,,,,0.0,,0.0,,,,,0.0,,,,
CCn1c(SCC(=O)OC)nnc1C1CCCCC1,CID865740,,,,,,,,,,,0.0,0.0,,,0.0,,
CCOC(=O)CSc1nnc(C2CCCCC2)n1C,CID645850,,,,,,0.0,0.0,,,,0.0,0.0,,,,0.0,
Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)NCCCOC(C)C)c1ccc(C(C)C)cc1,CID3238279,,,0.0,,,0.0,0.0,,,,,0.0,,,,,
Cc1ccc(N(C(C)C(=O)O)S(=O)(=O)c2c(C)n[nH]c2C)cc1,CID3238978,,,,,,,,0.0,,,,,0.0,,0.0,0.0,0.0
Cc1cccc(NS(=O)(=O)c2c(C)n[nH]c2C)c1,CID866901,,,,,,,,,,,,0.0,,,,,
Cc1ccc(C)c(NS(=O)(=O)c2c(C)nn(C)c2C)c1,CID3236338,,0.0,,,,,0.0,,,0.0,,,0.0,,0.0,0.0,0.0
COc1ccc(N(CC(=O)O)S(=O)(=O)c2c(C)n[nH]c2C)cc1,CID3450942,,,,,,,,,,0.0,,,,,,,
CC(=O)c1cccc(NS(=O)(=O)c2c(C)n[nH]c2C)c1,CID3240936,,,,,,,0.0,,,,,0.0,0.0,,,0.0,
CC(C)c1ccc(C(CC(=O)c2ccc(Cl)cc2)C(=O)O)cc1,CID3752958,,,,,,,,,,,,,,,0.0,,
COC(=O)C(CC(=O)c1ccc(Cl)cc1)c1ccc(C(C)C)cc1,CID5108589,,,,,,,,,,,,0.0,,,,,
CCN(CC)CC(O)COc1ccccc1C(=O)CCc1ccccc1,CID2856987,,,0.0,,,,,,,,0.0,0.0,,,,,
COc1ccc(C(C)=O)cc1CC(C(=O)c1ccc(C)c(C)c1)N(C)C,CID4878700,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C(=O)CC(SCC(=O)O)c2ccc([N+](=O)[O-])cc2)cc1,CID4346180,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)C(Cc2ccccc2)N(C)C)cc1,CID2940421,,,0.0,,,,,,,0.0,,0.0,,,,0.0,
COc1c(C)cccc1C(=O)Nc1ccc(CN2CCCCC2)cc1,CID925682,,,,,,,,,,,,,,0.0,,,
COc1cccc(OC)c1C(=O)Nc1ccc(CN2CCCCC2)cc1,CID1088389,0.0,,0.0,,,,,0.0,0.0,,,0.0,,,,,0.0
O=C(Nc1ccc(CN2CCCCC2)cc1)c1cccc(F)c1,CID934551,,,,,,,,,,,,,,0.0,,,
COc1ccccc1C(=O)Nc1ccc(CN2CCCCC2)cc1,CID925673,,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccc(CN2CCCCC2)cc1)c1cc(Br)ccc1Cl,CID2197490,,,,,,,,,,,,,,0.0,,,
COc1cc(OC)cc(C(=O)Nc2ccc(CN3CCCCC3)cc2)c1,CID1243032,,,,,,,,,,,,,,,0.0,,
CC1CCN(C(=O)CSc2nncn2C)CC1,CID2350523,,,,,,,,,,0.0,0.0,,,,,,
CCCc1nnc(SCC(=O)N2CCCC(C)C2)n1CCCOC,CID648533,,,,,,,,0.0,,0.0,0.0,,,,,0.0,
CCCc1nnc(SCC(=O)N2CCCCC2C)n1CCOC,CID3212508,,,,,,,,,,,,,,,0.0,,
CCCc1nnc(SCC(=O)N2CCCCC2C)n1CC,CID3212506,,,,,,,,,,,0.0,,,,,,
CCCc1nnc(SCC(=O)N2CCCCC2)n1CCCOC,CID3212503,,,,,,0.0,,,0.0,,,,,,,,
CCCc1nnc(SCC(=O)N2C(C)CCCC2C)n1CCCOC,CID3212517,,,,,,0.0,,,,,,,,,,,
CCC(=O)Nc1nnc(CSCc2ccc(F)cc2)s1,CID879486,,,,,,0.0,,,,,,,,,0.0,,
CC(C)C(=O)Nc1nnc(CSCc2ccccc2F)s1,CID1393290,,,,,,,,,,,0.0,,,,,,
CCC(=O)Nc1nnc(CSCc2ccccc2)s1,CID652726,0.0,,,,0.0,,0.0,,0.0,,0.0,,0.0,,0.0,,
Nc1nnc(CSCc2ccccc2)s1,CID649673,,0.0,,0.0,0.0,,,,,,,,,,,,
Nc1nnc(CSCc2ccc(F)cc2)s1,CID659622,,0.0,0.0,,,,0.0,,,,,,,,,,
Nc1nnc(CSCc2ccc(Cl)cc2)s1,CID744068,,,,,,,,,,,,,,0.0,,,
CC(NS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1,CID2890826,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1CNS(=O)(=O)c1ccc2c(c1)OCCO2,CID652131,,,0.0,0.0,0.0,,0.0,,0.0,,,,0.0,,,,0.0
CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2,CID846883,,,,,,,0.0,0.0,0.0,,0.0,,,,,,
Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)OCCO3)cc1,CID801583,,,,,,,,,,,,,,0.0,,,
O=S(=O)(NCc1ccccc1)c1ccc2c(c1)OCCO2,CID2366976,,,,0.0,0.0,,0.0,,,,,,,,,,0.0
O=S(=O)(NCc1ccc(F)cc1)c1ccc2c(c1)OCCO2,CID862031,,,,,,0.0,0.0,,,,,0.0,,,,,
CC(=O)C1=C(O)C(=O)N(Cc2cccnc2)C1c1ccc(Cl)cc1,CID3141392,,,,,,,,,,0.0,,,,0.0,,,
COc1ccc(OC)c(C2C(C(C)=O)=C(O)C(=O)N2Cc2cccnc2)c1,CID645321,,0.0,,,,,0.0,0.0,,,,,,,,,
CC(=O)C1=C(O)C(=O)N(Cc2cccnc2)C1c1ccc(C)cc1,CID3141387,,,,,,,,,,,,0.0,,,,,
CC(=O)C1=C(O)C(=O)N(Cc2cccnc2)C1c1ccccc1,CID649635,,,,0.0,,,,0.0,,,,,,,,,
CC(=O)C1=C(O)C(=O)N(Cc2cccnc2)C1c1ccccc1Cl,CID660682,,,,0.0,,,0.0,,,0.0,,,,,,,0.0
CC(=O)C1=C(O)C(=O)N(Cc2cccnc2)C1c1ccc(Cl)cc1Cl,CID651686,0.0,,,,,,,,,,,,0.0,,,,
O=C(CCS(=O)(=O)c1ccc(Br)cc1)N1CCN(c2ccccc2F)CC1,CID3240165,0.0,,,,,,,,0.0,,,,,,,,0.0
O=C(CCS(=O)(=O)c1ccc(Br)cc1)N1CCN(c2ccccc2)CC1,CID3239364,0.0,,,,,,0.0,,0.0,,0.0,,,,,,0.0
CC(=O)c1ccc(N2CCN(C(=O)CCS(=O)(=O)c3ccc(C)cc3)CC2)cc1,CID3243603,,,0.0,,,,,,,,,,0.0,0.0,,0.0,0.0
COc1ccc(N2CCN(C(=O)CCS(=O)(=O)c3ccc(OC)cc3)CC2)cc1,CID3360806,,,,,,,,,,,,,,,0.0,,
Cc1ccc(S(=O)(=O)CCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,CID4280734,,,,,,,,,,,0.0,,,,,,
O=C(CCS(=O)(=O)c1ccc(Cl)cc1)N1CCN(c2ccccc2F)CC1,CID2552172,0.0,,0.0,,0.0,,,,,,,,,,,,
Cc1ccc(NC(=S)NCc2ccccn2)cc1,CID841939,,,,,,0.0,,,,,,,,,,,
Fc1cccc(NC(=S)NCc2ccccn2)c1,CID738692,,,,,,,,,,,,,,0.0,,,
COc1cccc(NC(=S)NCc2ccccn2)c1,CID2250497,,,,,,,,,,,,,,0.0,,,
COCCCN(C(=S)Nc1c(C)cc(C)cc1C)C(C)c1ccccn1,CID5190551,,,,,,,,,,,,,,,0.0,,
COc1ccc(Cl)cc1NC(=S)NCc1ccccn1,CID971088,,,,,,,,,,,,,,,0.0,,
Cc1ccc(Cl)cc1NC(=S)N(CCN(C)C)C(C)c1ccccn1,CID3427389,,,,,,,,,,,,,,,0.0,,
CCSc1nnc(NC(=O)c2cccnc2)s1,CID746692,0.0,0.0,0.0,0.0,,,0.0,,,,,,0.0,,,,
CCc1nnc(NC(=O)c2cccnc2)s1,CID1387083,,,,,,,,,,,,0.0,,,,,
O=C(Nc1nnc(C(F)(F)F)s1)c1cccnc1,CID1245352,0.0,0.0,,,0.0,,,0.0,,0.0,,,,,,,
CCSc1nnc(NC(=O)c2cccnc2Cl)s1,CID1221234,,,,,,,,,0.0,,,,,0.0,,,
Cc1nnc(N(C)C(=O)c2cccnc2)s1,CID646410,,0.0,,0.0,,,,,,,,,,,,,
CC(C)c1nnc(NC(=O)c2cccnc2)s1,CID1451542,,,,,,,,,,,,0.0,,,,,
COc1cc(C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)cc(OC)c1OC,CID1125239,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C(=O)Nc2ncc(Cc3ccc(SC(F)F)cc3)s2)cc1,CID1527277,,,,,,,,,,,,,,0.0,,,
Cc1ccc(Cc2cnc(NC(=O)c3ccccc3Cl)s2)cc1,CID2253141,,,,,,0.0,,,,,,,,,,,
Cc1ccc(Cc2cnc(NC(=O)c3ccccc3[N+](=O)[O-])s2)cc1,CID1181445,,,,,,0.0,,,,,,,,,,,
Cc1ccc(Cc2cnc(NC(=O)c3ccc(Cl)cc3)s2)cc1,CID2130337,,,,,,0.0,,,,,,,,,,,
O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)c1ccc([N+](=O)[O-])cc1,CID1373010,,,,,,,,,,,,,,,0.0,,
CCOC(=O)CCSc1nc2c(c(C(F)(F)F)c1C#N)CCC2,CID2961898,,,,,0.0,,,,,,,,,,,,0.0
CC(C)OC(=O)CC(=O)CSc1nc2c(cc1C#N)CCC2,CID648372,,,0.0,,,,,0.0,,,,,,,,,
COC(=O)c1c(C#N)c(N)nc2c1CCC2,CID394328,,,,0.0,,,0.0,0.0,,,,0.0,0.0,,,,
CCCCSc1nc2c(cc1C#N)CCC2,CID2056274,,,,,,,,,,,,,,,0.0,,
CCOC(=O)CC(=O)CSc1nc2c(c(C)c1C#N)CCC2,CID3239125,,,,0.0,,,,,,,,,,,,0.0,
C=CCSc1nc2c(cc1C#N)CCC2,CID1799412,,,0.0,,,,,,,,,,,,,,
CN(C)c1ccc(NC(=O)CN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1,CID656006,,,,,,,0.0,,,,,,,,,,0.0
Cc1ccc(NC(=O)CN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1,CID1438028,,,,,,,,,,,0.0,,,,,,
COc1ccc(OC)c(NC(=O)CN2CCC(C(=O)c3ccc(C)cc3)CC2)c1,CID654350,0.0,,,0.0,,,0.0,0.0,0.0,,,,,,,,
O=C(CN1CCC(C(=O)c2ccc(F)cc2)CC1)Nc1ccccc1,CID646651,,,,,,,,,,,,0.0,,,0.0,,
Cc1ccc(C(=O)C2CCN(CC(=O)Nc3ccc(N(C)C)cc3)CC2)cc1,CID652867,0.0,,,,,0.0,,0.0,,,,,,0.0,,,0.0
O=C(CN1CCC(C(=O)c2cccc(Cl)c2)CC1)Nc1ccc(C(=O)O)cc1,CID1383901,,,,,,,,,,,,,,0.0,,,
COc1ncnc2sc3c(c12)CCCC3,CID717679,,,,,,,,,,,,,,,0.0,,
COC(=O)CSc1nc(N)c2c3c(sc2n1)CCCC3,CID658260,0.0,,,,,,0.0,,,,0.0,,,,,,
CCOC(=O)CSc1nc(N)c2c3c(sc2n1)CCCC3,CID658081,0.0,,,,,0.0,0.0,,,0.0,0.0,,,,,,
CCN(CC)C(=O)CSc1nc(N)c2c3c(sc2n1)CC(C)CC3,CID3708270,,,,,,,,,,0.0,,,,,,,
CC(C)(C)C1CCc2c(sc3nc(SCC(N)=O)nc(N)c23)C1,CID2888452,,,,,,,,,,0.0,,0.0,,,,,
CC(=O)C(Sc1ncnc2sc3c(c12)CCCC3)C(C)=O,CID722190,,,,,,,,,,,,,,0.0,0.0,,
Cc1cc(C)c2cc(CN(Cc3nnnn3Cc3ccc(F)cc3)C3CCCC3)c(=O)[nH]c2c1,CID1463915,,,,,,,,,0.0,,,,,,,,
Cc1cccc2cc(CN(Cc3nnnn3Cc3ccccc3)C3CCCC3)c(=O)[nH]c12,CID644452,,,,0.0,,,,,,,,,,,,,0.0
COc1ccc(Cn2nnnc2CN(Cc2cc3cccc(C)c3[nH]c2=O)C2CCCC2)cc1,CID650459,,,0.0,,,,,,,0.0,,0.0,,,,,0.0
Cc1ccc2[nH]c(=O)c(CN(Cc3nnnn3Cc3ccccc3)C3CCCC3)cc2c1,CID652741,,,,,,,0.0,,,0.0,,,0.0,,,,0.0
COc1ccc(Cn2nnnc2CN(Cc2cc3ccc(C)cc3[nH]c2=O)C2CCCC2)cc1,CID653768,,,,,,,,,,,,0.0,,,,,
COc1ccc(Cn2nnnc2CN(Cc2cc3cc(C)ccc3[nH]c2=O)C2CCCC2)cc1,CID652331,,,,,,,,,,,0.0,0.0,,,,,
CCN1CCN(C(=O)CN(CC)S(=O)(=O)c2ccc(Cl)cc2)CC1,CID1252509,,,,,,,,,,0.0,,,,,,,
CCN(CC(=O)N1CCN(C)CC1)S(=O)(=O)c1ccc(Cl)cc1,CID2222041,0.0,,0.0,,,,0.0,,,,,0.0,,0.0,,0.0,
CCN1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1,CID2214119,,,,,,,,,,,,0.0,,,,,
COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(C)CC2)cc1C,CID1243945,,0.0,,0.0,,,0.0,,,,,,,,,0.0,
CCOC(=O)N1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)CC1,CID2946584,,,,,,,,0.0,,,,,,,,,
CCN1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(OC)cc2)CC1,CID1093320,,,,,,,,,,,0.0,,,,,0.0,0.0
COc1ccccc1CNC(=O)CN1CCN(Cc2ccc(Cl)cc2)C1=O,CID5307264,0.0,0.0,,0.0,,,,,0.0,,,,,,,0.0,
Cc1ccc(CN2CCN(CC(=O)NCc3ccc(Cl)cc3)C2=O)cc1,CID3243706,,0.0,,,,0.0,,,,,,,,,,0.0,
Cc1ccccc1CN1CCN(CC(=O)NCc2ccccc2)C1=O,CID3241715,,,,,,,,,,,,,,,0.0,,
Cc1ccc(CNC(=O)CN2CCN(Cc3ccc(Cl)cc3)C2=O)cc1,CID3244094,,,,,,,,,,,,,,,,0.0,0.0
O=C(CN1CCN(Cc2ccccc2)C1=O)NCc1ccc(Cl)cc1,CID3237959,,,0.0,,,,,0.0,,,,,,,,,0.0
Cc1cccc(CN2CCN(CC(=O)NCc3ccc(F)cc3)C2=O)c1,CID4215541,,0.0,,,,,,0.0,,,,,,,,,
Cc1cc(C)nc(SCC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)n1,CID2981865,,0.0,0.0,0.0,0.0,,,,,,,0.0,0.0,,,,0.0
Cc1nc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)nc(C)c1C,CID2161217,,,,,,0.0,,,,,,,,,,,
O=C(CSc1ncccn1)Nc1ccc(N2CCOCC2)cc1,CID2592863,,,,,,0.0,,,,,,,,,,,
Cc1cc(C)nc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)n1,CID1090938,,,,0.0,,,,0.0,0.0,,,,,,,0.0,
CCOC(=O)c1cnc(SCC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)nc1N,CID2237443,,,,,,,,,0.0,,,,,0.0,,,
CCOC(=O)c1cnc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)nc1N,CID1258523,,,,,,,,,,0.0,,,,,,,
Cc1nc2nc(-c3ccc(Cl)cc3)nn2c(C)c1Cl,CID1975549,,,,,,,,,,0.0,,,,,,,
CCC(C)NC(=O)CCc1c(C)nc2nc(-c3cc(OC)cc(OC)c3)nn2c1C,CID9551400,,,,,,0.0,,,,,,,,,,,
COc1cc(OC)cc(-c2nc3nc(C)c(CCC(=O)O)c(C)n3n2)c1,CID3241335,,,,,,,,,,,,,,,,,0.0
COc1ccc(-c2nc3nc(C)cc(C)n3n2)cc1,CID753358,,,0.0,,,,,0.0,,,,,0.0,,0.0,,
Cc1nc2nc(-c3ccccc3)nn2c(C)c1Cl,CID1252743,,,,0.0,,,,,,,,,0.0,,,0.0,
CCCNC(=O)CCc1c(C)nc2nc(-c3cc(OC)cc(OC)c3)nn2c1C,CID9551218,,,,,,,,,,0.0,,,,,,,
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)c1cc(-c2ccco2)on1,CID3245923,0.0,,,,0.0,0.0,,,,,,,,,,,
Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1cc(-c2ccco2)on1,CID3244386,0.0,,,,,,0.0,0.0,,0.0,,0.0,,0.0,,,
Cc1ccccc1Cn1nc(C)c(NC(=O)c2cc(-c3ccco3)on2)c1C,CID15992311,,,,,,,,,,,,,,,0.0,,
Cc1ccc(Cn2nc(C)c(NC(=O)c3cc(-c4ccco4)on3)c2C)cc1,CID3242883,0.0,,,0.0,,,,,,,,,0.0,,,,0.0
Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)c1cc(-c2ccco2)on1,CID3237945,1.0,,,,,,,,,,,,,,,,
Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1cc(-c2ccco2)on1,CID3237340,0.0,,,0.0,,,,,,,,0.0,0.0,,,,0.0
Cc1cccc(NC(=O)C2CCCN2C(=O)OCC(C)C)c1C,CID654360,,,0.0,,0.0,,,,0.0,,,,,,,,0.0
Cc1ccc(C)c(NC(=O)C2CC(O)CN2C(=O)OC(C)(C)C)c1,CID3239315,,,,0.0,0.0,,,,,,,0.0,,,,,0.0
Cc1ccc(C)c(NC(=O)C2CCCN2C(=O)OC(C)(C)C)c1,CID551021,0.0,,0.0,,0.0,,,0.0,0.0,,,,0.0,,,,0.0
Cc1cc(C)c(NC(=O)C2CCCN2C)c(C)c1,CID3127913,,,,,,,,,,0.0,,0.0,,,,,
Cc1cccc(NC(=O)C2CCCN2C(=O)OCC(C)C)c1,CID651520,,,,,0.0,,,,,,0.0,,,,,,0.0
Cc1cc(C)c(NC(=O)C2CCCN2CCO)c(C)c1,CID655697,,,,0.0,,,,,,,,,,,,,
Cc1ccccc1NC(=O)c1ccc(NC(=O)c2ccco2)cc1,CID872367,,,0.0,0.0,,,,0.0,0.0,,,0.0,0.0,,,,
O=C(Nc1ccccc1C(=O)O)c1ccc(NC(=O)c2ccc(Br)o2)cc1,CID1255726,,,,,,,,,0.0,,0.0,,,,,,
O=C(O)Cc1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1,CID2231817,,,,,,,,,,0.0,,,,,,,
CCOc1ccccc1NC(=O)c1ccc(NC(=O)c2ccco2)cc1,CID1085323,,,,,,,,,0.0,,,,,,,,
CC(C)CNC(=O)c1cccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)c1,CID2192919,,0.0,,,,,,,0.0,0.0,,,,,,0.0,
CC(C)(C)NC(=O)c1cccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)c1,CID1316213,0.0,0.0,0.0,,,,,,0.0,,,0.0,,,,0.0,0.0
CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)c1ccc(Cl)cc1,CID1148607,,,,,,,,,,,,,0.0,,,,0.0
Cc1ccc(N(C(C)C(=O)Nc2ccc3c(c2)OCO3)S(C)(=O)=O)cc1,CID2984349,,,,,,,,0.0,0.0,,0.0,,,,,,
CC(C(=O)Nc1ccc2c(c1)OCO2)N(c1ccc(Cl)cc1)S(C)(=O)=O,CID2976988,,0.0,0.0,,0.0,,,,,0.0,,,0.0,,,,
COc1ccc(Cl)cc1N(CC(=O)Nc1ccc2c(c1)OCO2)S(C)(=O)=O,CID1139659,0.0,,,,,,,,,0.0,,,,,,,
CCOc1ccccc1N(CC(=O)Nc1ccc2c(c1)OCO2)S(C)(=O)=O,CID1143346,,,,,,,,,,,,,,,,0.0,
CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1,CID645332,,,,,,,0.0,,,,0.0,,,,,,
COc1cc2[nH]c(=S)n(Cc3ccc(C)o3)c(=O)c2cc1OC,CID3241254,,,,,0.0,,0.0,,,,0.0,,,,,,
O=c1c2cc(Cl)ccc2[nH]c(=S)n1Cc1ccco1,CID3237636,,0.0,,,,,,,,0.0,,,,,,,
CC(C)NC(=O)c1ccc2c(=O)n(Cc3ccco3)c(=S)[nH]c2c1,CID4607987,,,,,,0.0,,,,,,,,,,,
CCN(CC)CCNC(=O)c1ccc2c(=O)n(Cc3ccco3)c(=S)[nH]c2c1,CID2517904,,,,,,,,,,0.0,0.0,,,,,,
COc1cc2[nH]c(=S)n(Cc3ccco3)c(=O)c2cc1OC,CID866383,,,,,,,,,,,,0.0,,,,,
CCOc1cc2[nH]c(=S)n(Cc3ccc(C)o3)c(=O)c2cc1OCC,CID3242512,,,0.0,,0.0,,,0.0,,,0.0,,0.0,,,,
Nc1nc2ccccc2n1/N=C/c1ccc(Br)cc1,CID3238301,0.0,,,,,,,,,,,,,,,0.0,
COc1ccc(/C=N/n2c(N)nc3ccccc32)cc1OC,CID665491,,,,,,,,,,,,,,,0.0,,
CNc1nc2ccccc2n1/N=C/c1cccc(OC)c1OC,CID2318190,,,,,,0.0,,,,,,,,,,,
COc1cccc(/C=N/n2c(C)nc3ccccc32)c1OC,CID662906,,,,,,,0.0,,,,,,,,,0.0,
COc1cccc(/C=N/n2c(CO)nc3ccccc32)c1OC,CID662837,0.0,,,,,,,0.0,,0.0,,,,,,0.0,
COc1cccc(/C=N/n2c(N)nc3ccccc32)c1OC,CID776445,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)c(S(=O)(=O)Nc2cc(SCC(=O)O)c(O)c3ccccc23)cc1C,CID6710564,,,,,,,,,,,,,,0.0,,,
COC(=O)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1,CID1149220,,,,,,,,,0.0,0.0,,,,,,,
COc1ccc(S(=O)(=O)Nc2ccc(O)c3ccccc23)cc1,CID871185,,,0.0,,,,,,,,,0.0,,0.0,0.0,0.0,
CCc1ccc(S(=O)(=O)Nc2cc(SCC(=O)O)c(O)c3ccccc23)cc1,CID992588,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C)c(S(=O)(=O)Nc2cc(SCC(=O)O)c(O)c3ccccc23)c1,CID992591,,,,,,,,,,,,,,,0.0,,
COc1ccc(OC)c(S(=O)(=O)Nc2ccc(O)c3ccccc23)c1,CID1242540,,,,,,,,,0.0,,,,,,0.0,0.0,
Cc1ccc(NC(=O)C2CCCN2C(=O)Oc2ccccc2)cc1,CID655757,0.0,,,0.0,,,,,,,,,0.0,,,,0.0
Cc1cc(C)cc(NC(=O)C2CCCN2C(=O)Oc2ccccc2)c1,CID3136681,,,,,,,,,,,,0.0,,,,,
Cc1cccc(NC(=O)C2CCCN2C(=O)Oc2ccccc2)c1C,CID2876379,,,,,,,,,0.0,0.0,,0.0,,,,,
Cc1ccc(NC(=O)C2CC(O)CN2C(=O)Oc2ccccc2)c(C)c1,CID2876014,,,,,,0.0,,,,,,,,,,,
Cc1ccc(NC(=O)C2CCCN2C(=O)Oc2ccccc2)cc1C,CID3112481,,,,,,,,,0.0,,,,,,,,
Cc1cccc(NC(=O)C2CCCN2C(=O)Oc2ccccc2)c1,CID551117,,,,,,,,,0.0,,,,,,,,
CCOC(=O)c1ccc(NC(=O)CSc2nc(C)nc3c2c(=O)n(C)c(=O)n3C)cc1,CID4148376,,,,0.0,,,,,,,,,,,,,
Cc1nc(SCC(=O)Nc2ccc(C(F)(F)F)cc2)c2c(=O)n(C)c(=O)n(C)c2n1,CID3236709,,,,,,,,,,0.0,,0.0,,0.0,,,
Cc1cccc(NC(=O)CSc2nc(C)nc3c2c(=O)n(C)c(=O)n3C)c1,CID3533870,,0.0,,,,,,,,,,,,,,,
CCCc1nc(SCC(=O)Nc2ccccc2OC)c2c(=O)n(C)c(=O)n(C)c2n1,CID5310094,,,,,,,,,,,,,,,,,0.0
CCCc1nc(SCC(=O)Nc2cc(Cl)ccc2OC)c2c(=O)n(C)c(=O)n(C)c2n1,CID5310227,,,,,,,,,,,,,0.0,,,,
Cc1nc(SCC(=O)Nc2ccccc2C(F)(F)F)c2c(=O)n(C)c(=O)n(C)c2n1,CID3244240,,,,,0.0,,,,,,,0.0,,,,,
COCCNC(=O)C(c1ccc(C)o1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1,CID3211933,,,,,,,,,,,,,,0.0,,,
CCc1ccccc1N(C(=O)Cn1nnc2ccccc21)C(C(=O)NCCOC)c1ccco1,CID654929,0.0,,,,,0.0,0.0,,0.0,,0.0,,,,,,
COCCNC(=O)C(c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C)cc1C,CID645055,0.0,,,,,,0.0,,,,0.0,0.0,,,,,
COCCNC(=O)C(c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1cccc(C)c1C,CID652105,0.0,,,,,,,,,,0.0,,,,,,
COCCNC(=O)C(c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1C,CID650117,0.0,,,,,,0.0,,,,,,,,,,
COCCNC(=O)C(c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1cc(C)ccc1C,CID649928,0.0,,,,,,,,,0.0,,0.0,,,,,
Cc1cc(Nc2ccccc2)c2c([N+](=O)[O-])cc(C)c(C)c2n1,CID1362411,,,,,,,,,,,,0.0,,,,,
COc1cccc(Nc2cc(C)nc3ccccc23)c1,CID647778,0.0,0.0,,,,,0.0,,,0.0,,,,,,0.0,
COc1ccc(OC)c(Nc2cc(C)nc3ccccc23)c1,CID653534,0.0,0.0,,0.0,,,,,,0.0,,0.0,,,,,
Cc1cc(Nc2ccccc2)c2c([N+](=O)[O-])c(C)cc(C)c2n1,CID870196,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1cnc2ccccc2c1Nc1cc(C(=O)O)ccc1C,CID705487,,,,,,,,,,,,,,,0.0,,
COc1ccccc1Nc1cc(C)nc2c(C)ccc([N+](=O)[O-])c12,CID873931,,,,,,,,,,,,,,,0.0,,
CCCCn1nnnc1SCC(=O)NCc1ccccc1,CID3212943,,,,,,,,,,0.0,,,,,,,
Cn1nnnc1SCC(=O)NCc1cccc(C(=O)O)c1,CID661141,,0.0,,0.0,,,,,,,,,,,,,0.0
CCCn1nnnc1SCC(=O)NCc1ccc(OC)cc1,CID645508,,0.0,,,,,,,0.0,0.0,,,0.0,,,0.0,
Cc1ccc(CNC(=O)CSc2nnnn2C)cc1,CID975710,,,,,,,,,,,0.0,,,,,,
Cn1nnnc1SCC(=O)NCc1ccccc1,CID774828,,,,,,,,,,0.0,,,,,0.0,,
CCCn1nnnc1SCC(=O)NCc1ccccc1,CID649791,,0.0,,,,0.0,,,,,0.0,,0.0,,,,
Cc1cccc(NC(=O)c2cnc3ccccn3c2=O)c1,CID4572066,,0.0,,,,,,,,,,,0.0,,,,
COc1ccc(NC(=O)c2cnc3ccccn3c2=O)cc1OC,CID4575306,0.0,,,,,,,0.0,,,,,,,,,
COc1ccc(NC(=O)c2cnc3ccccn3c2=O)c(OC)c1,CID4575307,,,,0.0,,,0.0,0.0,,,,,0.0,,,,0.0
COc1ccc(OC)c(NC(=O)c2cnc3ccccn3c2=O)c1,CID3238885,,,0.0,,,,,,0.0,,,,,,,,
CCN(CC)c1ccc(NC(=O)c2cnc3ccccn3c2=O)c(C)c1,CID3240310,0.0,0.0,,,,,,,,,,,0.0,0.0,,,
Cc1ccccc1NC(=O)c1cnc2ccccn2c1=O,CID3075179,,,,0.0,,,,0.0,,,,,,,,,
COc1ccc(CC(NC(C)=O)C(=O)NC2CCN(c3nc(C)cc(C)c3C#N)CC2)cc1OC,CID3232446,,,,,,,,,,,,,,0.0,,,
COc1ccc(OC)c(CC(NC(C)=O)C(=O)NC2CCN(c3nc(C)cc(C)c3C#N)CC2)c1,CID649407,,,0.0,,,,,,,,0.0,,,,,,0.0
COc1cc(CC(NC(C)=O)C(=O)NC2CCN(c3nc(C)cc(C)c3C#N)CC2)cc(OC)c1,CID655034,0.0,,,,,,,,,,0.0,,0.0,,,,0.0
COc1cccc(CC(NC(C)=O)C(=O)NC2CCN(c3nc(C)cc(C)c3C#N)CC2)c1,CID648923,0.0,,0.0,,,,0.0,,,,0.0,0.0,,,,,0.0
COc1ccc(CC(NC(C)=O)C(=O)NC2CCN(c3nc(C)cc(C)c3C#N)CC2)c(OC)c1,CID653270,0.0,,0.0,,,,,,,,,,,,,,
COc1cccc(CC(NC(C)=O)C(=O)NC2CCN(c3nc(C)cc(C)c3C#N)CC2)c1OC,CID652133,0.0,,,,,,,,,,0.0,0.0,,,,,
O=C1CC(NCc2ccncc2)C(=O)N1c1ccccc1,CID2877164,,0.0,0.0,0.0,,,0.0,,0.0,,,0.0,,,0.0,,
COc1ccc(N2C(=O)CC(NCc3ccncc3)C2=O)cc1,CID2877659,,0.0,,0.0,,,0.0,,,,,,,,0.0,,
CCCCOc1ccc(N2C(=O)CC(NCc3ccncc3)C2=O)cc1,CID2869035,,,,,,,,,,,,,,0.0,,,
CCCOc1ccc(N2C(=O)CC(NCc3ccncc3)C2=O)cc1,CID2877490,,,,,,,,,,,,0.0,,,,,0.0
O=C1CC(NCc2ccncc2)C(=O)N1c1ccc(Cl)cc1,CID661653,,0.0,,,,,0.0,,,,,,,,0.0,,0.0
CN(Cc1ccncc1)C1CC(=O)N(c2ccc(Cl)cc2)C1=O,CID650954,0.0,,,0.0,,,,,,,,,,,,0.0,0.0
COc1ccc(OC)c2[nH]c(=O)c(CCNS(=O)(=O)c3ccc(C)cc3)cc12,CID3242305,,,,,0.0,,,,,,,,0.0,,,0.0,
COc1ccc(OC)c2[nH]c(=O)c(CCNS(=O)(=O)c3ccccc3)cc12,CID3239690,,,,,0.0,,0.0,0.0,,0.0,,,0.0,,,0.0,
Cc1ccc2cc(CCNS(=O)(=O)c3ccc(F)cc3)c(=O)[nH]c2c1,CID4638586,,0.0,0.0,,,,,,,,,,,,,,
COc1ccc(OC)c2[nH]c(=O)c(CCNS(=O)(=O)c3ccc(Cl)cc3)cc12,CID3244283,,,,,,,,,,,,,,,,,0.0
CC(=O)Nc1ccc(S(=O)(=O)NCCc2cc3c(C)ccc(C)c3[nH]c2=O)cc1,CID5051752,,,,,0.0,,0.0,,,,,,,,,0.0,
Cc1ccc2cc(CCNS(=O)(=O)c3ccc(F)cc3)c(=O)[nH]c2c1C,CID16187061,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)n(-c2nc(SCCN(C)C)c3c4c(sc3n2)CCCC4)n1,CID3838161,,,,,,0.0,,,,,,,,,,,
Cc1cc(C)n(-c2nc(NCCCO)c3c4c(sc3n2)CCCC4)n1,CID665518,,,,,,0.0,,,,,0.0,,,,,,
COCCNc1nc(-n2nc(C)cc2C)nc2sc3c(c12)CCCC3,CID665355,,,0.0,,0.0,,,0.0,,0.0,0.0,,,,,0.0,
Cc1cc(C)n(-c2nc(NCCO)c3c4c(sc3n2)CCCC4)n1,CID665434,,0.0,0.0,0.0,,,,0.0,,,0.0,,,,,,0.0
CCC(O)CNc1nc(-n2nc(C)cc2C)nc2sc3c(c12)CCCC3,CID665798,,,0.0,0.0,,,,0.0,0.0,0.0,,,,,,,
Cc1cc(C)n(-c2nc(NCC(C)O)c3c4c(sc3n2)CCCC4)n1,CID665642,,0.0,0.0,0.0,,,,,,0.0,,,,,,,
COc1ccccc1-c1nc(C#N)c(N2CCN(c3ccccc3)CC2)o1,CID664788,,0.0,0.0,,,,0.0,0.0,,,,,0.0,,0.0,,
COc1ccc(N2CCN(c3oc(-c4ccccc4OC)nc3C#N)CC2)cc1,CID663652,0.0,,0.0,0.0,,,,,0.0,,,0.0,,,,,0.0
COc1ccc(N2CCN(c3oc(-c4ccc(OC)c(OC)c4)nc3C#N)CC2)cc1,CID664877,0.0,,0.0,,,,,,0.0,0.0,0.0,,0.0,,,,
COc1ccc(-c2nc(C#N)c(N3CCN(c4cccc(Cl)c4)CC3)o2)cc1OC,CID663980,0.0,0.0,,,0.0,,,,,,,,0.0,,,,
COc1ccc(-c2nc(C#N)c(N3CCN(c4ccccc4)CC3)o2)cc1,CID1316683,0.0,0.0,,,,,,0.0,,,,,0.0,,,,
COc1ccccc1-c1nc(C#N)c(N2CCN(c3cccc(Cl)c3)CC2)o1,CID663677,0.0,,0.0,,0.0,,,,,,,,,,,,0.0
CCC(=O)Nc1nnc(CCc2ccccc2)s1,CID747161,,,,,,,,,,,,,,,0.0,,
Nc1nnc(CCc2ccccc2)s1,CID676760,,0.0,,0.0,,,,,,,,0.0,,,,,0.0
CCOC(=O)Nc1nnc(CCc2ccccc2)s1,CID646948,0.0,0.0,,,0.0,,0.0,,,0.0,,,0.0,,,0.0,0.0
COCC(=O)Nc1nnc(CCc2ccccc2)s1,CID651712,,0.0,,,,,0.0,0.0,,,,,0.0,,,0.0,0.0
COC(=O)Nc1nnc(CCc2ccccc2)s1,CID665590,0.0,,0.0,,,,0.0,,,,,,0.0,,0.0,,
CCOC(=O)C(=O)Nc1nnc(CCc2ccccc2)s1,CID2202633,,,,,,,,,0.0,0.0,0.0,0.0,,,,,
CCOC(=O)C1CCCN(CCCc2ccccc2)C1,CID2846168,,0.0,,,,,,0.0,,,,,,,,,
CCOC(=O)C1CCCN(CCC(C)c2ccccc2)C1,CID2845640,,,,,,,,,,,,,,,,0.0,
CCC(O)(CCN1CCCCC1)c1ccccc1,CID566573,,0.0,,0.0,,,0.0,0.0,,,,,,0.0,,0.0,
CCCC(O)(CCN1CCCCC1)c1ccc(OCC)cc1,CID3125347,,,,,,,,,,0.0,,,,,,,
CCCOc1ccc(C(O)(CCC)CCN2CCCCC2)cc1,CID3125349,,,,,,,,,,,0.0,,,,,,
CCOC(=O)C1(CCOC)CCN(C(C)CCc2ccc(OC)cc2)CC1,CID16189022,,,,,,,,,,,,,,0.0,,,
C=CCOc1ccc2c(c1)C(=NO)c1cc(OCC=C)ccc1-2,CID3945141,,,,,,,,,,0.0,0.0,,,,,,
CCNC(=S)NN=C1c2ccccc2-c2ccccc21,CID2642265,,,,,,,,,,,,,,,0.0,,
COC(=O)c1cccc2c1-c1ccccc1/C2=N\O,CID6398908,,0.0,,,,,,,,,,,0.0,,,,
COc1ccc2c(c1)C(=NO)c1cc(OC)ccc1-2,CID620461,,,,,,,0.0,,,,0.0,,,,,0.0,
NN=C1c2cc([N+](=O)[O-])ccc2-c2ccc([N+](=O)[O-])cc21,CID2802303,,,,,,,,,,,,,,,0.0,,
CC(C)COC(=O)c1cccc2c1-c1ccccc1/C2=N\O,CID6745795,,,,,,,,,0.0,,,,,,,,
CCOc1ccccc1Nc1nc(N)nc(CSc2nncn2C)n1,CID1093211,,0.0,,0.0,0.0,,,,,0.0,,,,,,0.0,
Cc1ccccc1Nc1nc(N)nc(CSc2nncn2C)n1,CID2545080,,,,,,,,,,,,,,,0.0,,
COc1ccc(Nc2nc(N)nc(CSc3nncn3C)n2)cc1,CID940778,,,,,,,,,,0.0,,,,,,,
COc1ccccc1Nc1nc(N)nc(CSc2nncn2C)n1,CID644453,,,,,0.0,,,,,0.0,0.0,0.0,,0.0,,,
Cn1cnnc1SCc1nc(N)nc(Nc2ccccc2)n1,CID690671,,,,,,,,,,0.0,0.0,,,,,,
Cc1ccc(Nc2nc(N)nc(CSc3nncn3C)n2)cc1,CID751849,,,,,,,,,,,,,,,0.0,,
CC1(C)CC(=O)C(=CNCCN2CCN(CCCCS(=O)(=O)O)CC2)C(=O)C1,CID648159,,,0.0,,,,0.0,,,,,,,,,,
CCC(=O)N1CCN(CCNC=C2C(=O)CC(C)(C)CC2=O)CC1,CID2232762,,0.0,0.0,0.0,,,,0.0,,,,,,,,,
CCC(NCCN1CCNCC1)=C1C(=O)CC(C)(C)CC1=O,CID646259,,,,0.0,,,,0.0,,,,,,,,,
CN(C=C1C(=O)CC(C)(C)CC1=O)CCN1CCNCC1,CID658277,,0.0,,0.0,,,,,,,,,0.0,,,,
CC(NCCN1CCNCC1)=C1C(=O)CC(C)(C)CC1=O,CID692916,,0.0,,,,,,0.0,,,,,0.0,,,,
CC(=O)N1CCN(CCNC=C2C(=O)CC(C)(C)CC2=O)CC1,CID2232461,,0.0,,0.0,,,,0.0,,,,,,,,0.0,
COCCn1c(SCC(=O)OCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,CID3123502,,0.0,,0.0,,,,,0.0,,,,,,,,
CCCn1c(SCC(=O)OCc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C,CID650033,,,,,,,0.0,,0.0,,0.0,,0.0,,,,
C=CCn1c(SCC(=O)OCc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C,CID644538,,,,0.0,,,0.0,,0.0,,,,,,,0.0,
CCn1c(SCC(=O)OCc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C,CID651627,,0.0,0.0,0.0,,0.0,0.0,,0.0,,0.0,,,,,,0.0
CCOCCn1c(SCC(=O)OCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,CID3152999,,,0.0,,,,,,,,,,,,,0.0,
Cn1c(=O)c2c(nc(SCC(=O)OCc3ccccc3)n2C)n(C)c1=O,CID648871,,0.0,,0.0,,0.0,,,0.0,,,0.0,,,,0.0,0.0
COc1ccc(CNC(=O)CCn2c(=O)oc3ccccc32)cc1,CID3163757,,,,0.0,,,,,0.0,,,0.0,,,,0.0,0.0
CN(Cc1ccccc1)C(=O)CCn1c(=O)oc2ccccc21,CID5310174,,,0.0,0.0,,,,0.0,,,,0.0,,,,0.0,
CCOc1ccc(CNC(=O)CCn2c(=O)oc3ccccc32)cc1,CID3241987,,,,,,,,0.0,,,,0.0,,,,,
COc1cccc(CNC(=O)CCn2c(=O)oc3ccccc32)c1,CID3243360,,,,0.0,,,,,0.0,,,,0.0,0.0,,0.0,
COc1ccccc1CNC(=O)CCn1c(=O)oc2ccccc21,CID4672139,,,,,,,,,,,,,,,,0.0,
CCOc1ccc(CNC(=O)CCn2c(=O)oc3ccccc32)cc1OC,CID3242515,,,,,,,,,,,,,,,,0.0,0.0
CCn1c(SCC(=O)NC2CCCCC2C)nnc1-c1ccc(OC)cc1,CID665003,0.0,0.0,,,0.0,,0.0,0.0,,,,,,,,,0.0
C=CCn1c(SC(C)C(=O)NC2(C#N)CCCCC2)nnc1-c1ccc(OC)cc1,CID2999630,,0.0,,,,,,0.0,,,0.0,,,,0.0,,
C=CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccc(OC)cc1,CID1260661,,,,,0.0,,,,,,,,,,,0.0,
Nn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccc(Cl)cc1,CID2077608,0.0,,0.0,0.0,0.0,,,,,0.0,,,0.0,,,,
CC1CCCCC1NC(=O)CSc1nnc(-c2ccccc2)n1N,CID644824,,,0.0,,,,0.0,,,0.0,0.0,,0.0,,,0.0,
Nn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccccc1,CID647687,,,,,,,0.0,,,,0.0,,,,,,
COc1ccc(N(CC(=O)NC2CCCC2)C(=O)CCC(=O)Nc2cc(C)on2)c(OC)c1,CID654933,,,,,,,,0.0,0.0,,,,0.0,,,,
Cc1cc(NC(=O)CCC(=O)N(CC(=O)NC2CCCC2)c2ccccc2)no1,CID3210783,,,,,,,,,,,0.0,0.0,,,,,
Cc1cc(NC(=O)CCC(=O)N(CC(=O)NC2CCCC2)c2cccc(C)c2C)no1,CID3210785,,,,,,,,,0.0,,,0.0,,,,,
CCOc1ccccc1N(CC(=O)NC1CCCC1)C(=O)CCC(=O)Nc1cc(C)on1,CID647804,,0.0,,,,,0.0,,,,,0.0,0.0,,,,0.0
COc1ccc(C)cc1N(CC(=O)NC1CCCC1)C(=O)CCC(=O)Nc1cc(C)on1,CID649184,,,,0.0,,,,,0.0,0.0,0.0,,,,,,0.0
COc1ccccc1N(CC(=O)NC1CCCC1)C(=O)CCC(=O)Nc1cc(C)on1,CID647464,,,,,,,0.0,,0.0,,0.0,0.0,,,,,
Cc1ccc(OCCCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1,CID1564917,,,,,,0.0,,,0.0,,,,,,,,
Cc1ccccc1OCCCC(=O)Nc1ccc(N2CCOCC2)cc1,CID1564326,,,0.0,0.0,,,0.0,,0.0,,,,0.0,,,,
Cc1ccc(OCCCC(=O)Nc2ccc(N3CCOCC3)cc2)c(C)c1,CID1644659,,,,,,,,0.0,0.0,0.0,,0.0,0.0,,,,
O=C(CCCOc1ccc(Cl)cc1)Nc1ccc(N2CCOCC2)cc1,CID1565190,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C)c(OCCCC(=O)Nc2ccc(N3CCOCC3)cc2)c1,CID1569734,0.0,,0.0,,,,,,0.0,0.0,,0.0,,,,,0.0
Cc1cccc(OCCCC(=O)Nc2ccc(N3CCOCC3)cc2)c1,CID1565314,,,,,,,,,0.0,0.0,,,0.0,,,,
CCOC(=O)c1ccc(NC(=O)NCc2c(C)nn(CC)c2C)cc1,CID16193480,,,,,,,,,,,,,,0.0,,,
COc1ccc(Cl)cc1NC(=O)N(C)Cc1c(C)nn(C)c1C,CID971950,0.0,0.0,0.0,,,,0.0,,,,,,,,,0.0,0.0
Cc1nn(C)cc1CNC(=O)Nc1cccc(Cl)c1,CID831809,,,,,,,,,,,,0.0,,,0.0,,
Cc1nn(C)cc1CNC(=O)Nc1ccc(Br)cc1Cl,CID2206891,0.0,,,,,,,,,,,,,,,0.0,
Cc1c(C(C)NC(=O)Nc2ccc(F)cc2F)cnn1C,CID2956297,0.0,,,0.0,,,,,,,,,,,,,
Cc1nn(C)cc1CNC(=O)Nc1ccc(Cl)c(Cl)c1,CID897364,,,,,,,,,,0.0,,,,,,,
COc1ccc(N(C(=O)c2cccc(OC)c2OC)C2C=CS(=O)(=O)C2)cc1,CID3245841,,,,0.0,,,,,,,,,,,0.0,,
CCN(CC)S(=O)(=O)c1ccc(C(=O)N(c2ccccc2)C2C=CS(=O)(=O)C2)cc1,CID16189348,,,,,,,,,,,,,,0.0,,,
O=C(c1ccccc1)N(c1ccccc1)C1C=CS(=O)(=O)C1,CID646911,,,,,,,,,,0.0,,,,,,,
COc1ccc(N(C(=O)c2ccccc2OC)C2C=CS(=O)(=O)C2)c(OC)c1,CID3243235,,,,,,,,,,,,,0.0,,,,
COc1ccc(N(C(=O)c2cccc(OC)c2OC)C2C=CS(=O)(=O)C2)c(OC)c1,CID3238901,,,,,,,,,,,,,0.0,,,0.0,
COc1cccc(C(=O)N(c2ccc(OC)cc2OC)C2C=CS(=O)(=O)C2)c1,CID3238432,,,,,,,,0.0,0.0,0.0,,,0.0,,,0.0,
Nc1nnc(-c2ccncc2)s1,CID121269,,0.0,,0.0,,,0.0,,,,0.0,,0.0,,,,
CNc1nnc(-c2ccncc2)s1,CID649971,,0.0,,0.0,,,,,,0.0,,,,,,,
C=CCNc1nnc(-c2ccncc2)s1,CID1933398,,,,,,,,,,0.0,,0.0,,,,,
CCNc1nnc(-c2ccncc2)s1,CID776566,,,,,,,,,,,0.0,,,,,,
COC(=O)Nc1nnc(-c2ccncc2)s1,CID1247591,,,,,,,,0.0,,,,,,,,0.0,
CCC(=O)Nc1nnc(-c2ccncc2)s1,CID1247371,,,,,,,,,,,,0.0,,,,,
COc1ccc(C(C)NC(=O)c2ccoc2C)cc1OC,CID2971548,,,0.0,,,,0.0,,,0.0,,,,,,,
Cc1ccc(C(C)NC(=O)c2cc(C)oc2C)cc1,CID2932803,,,,,,,0.0,,,0.0,0.0,0.0,,,0.0,0.0,0.0
CCc1ccc(C(C)NC(=O)c2cc(C)oc2C)cc1,CID3246793,,,,,,,,,,,,,0.0,,,0.0,
Cc1occc1C(=O)NCc1ccccc1,CID690372,,,,,,,,,0.0,,0.0,0.0,,,,,
Cc1cc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c(C)o1,CID1245537,,,,,0.0,,0.0,,,0.0,,,,,,,
COc1ccccc1CNC(=O)c1ccoc1C,CID1244119,,,,,,,0.0,0.0,,0.0,0.0,,0.0,,,0.0,
Cc1ccc(OC(C)C(=O)N2CCc3ccccc32)cc1,CID2983507,,,,0.0,,,0.0,0.0,0.0,,,,,,,0.0,0.0
CC(C)(Oc1ccc(Br)cc1)C(=O)N1CCc2ccccc21,CID1517209,,,,,,,,,,,,,,,0.0,,
O=C(COc1ccc(F)cc1Br)N1CCc2ccccc21,CID2627555,0.0,,,,,,,,,,,0.0,,,,,0.0
CC(Oc1ccc(Br)cc1)C(=O)N1CCc2ccccc21,CID2953773,0.0,,,,,,0.0,,,,0.0,0.0,,,,,0.0
CC(Oc1ccccc1Br)C(=O)N1CCc2ccccc21,CID3244853,,,,,,,,,,,0.0,,,,,,0.0
Cc1ccc(OCC(=O)N2CCc3ccccc32)cc1,CID674915,,,,,,,,,,,,,,0.0,,,
O=c1c2[nH]c3ccccc3c2ncn1CCN1CCCCC1,CID658605,,0.0,,,,,,,,0.0,,0.0,0.0,,,0.0,
CC1CCCCN1CCn1cnc2c([nH]c3ccccc32)c1=O,CID5307962,,,,0.0,,,,,,,,,0.0,,,0.0,
O=c1c2[nH]c3cccc(Cl)c3c2ncn1CCN1CCCCC1,CID665501,0.0,0.0,0.0,,,,,,,,,,,,,,0.0
Cc1ccc2c(c1)[nH]c1c(=O)n(CCN3CCCCC3)cnc12,CID665067,,,,0.0,,0.0,,,,,,0.0,,,,,
COc1cc2[nH]c3c(=O)n(CCN4CCCCC4)cnc3c2cc1OC,CID661953,0.0,0.0,,,,,,,0.0,0.0,,,0.0,,,0.0,
O=c1c2[nH]c3ccc(Cl)cc3c2ncn1CCN1CCCCC1,CID659444,0.0,,,,,0.0,,,,,,,,,,0.0,0.0
O=C(CNC(=O)c1ccccc1)N/N=C/c1ccccc1Cl,CID3373766,,,,,,,,,,,,,,,0.0,,
CN(C)S(=O)(=O)c1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2Cl)cc1,CID3469390,,,,,,,,,,,,,,,0.0,,
COc1ccccc1/C=N/NC(=O)CNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1,CID4428165,,,,,,,,,,,,,,0.0,,,
Cc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1,CID4382563,,,,,,,,,,,,,,,0.0,,
COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CNC(=O)c1cccc(F)c1,CID3425253,,,,,,,,,,,,,,0.0,0.0,,
C/C(=N\NC(=O)C(NC(=O)c1ccccc1)C(C)C)c1ccccc1,CID11958367,,,,,,,,,,,,,,,0.0,,
O=C(O)CN1C(=O)CC(Cc2ccc(Cl)cc2)C1=O,CID646157,,0.0,0.0,,,,,,,0.0,,,,0.0,,0.0,0.0
O=C(O)CN1C(=O)CC(Cc2ccccc2)C1=O,CID646168,,,0.0,,,,,0.0,,,,0.0,,,,,
Cc1ccc(CC2C(=O)N(CC(=O)O)C(=O)C2C)cc1,CID2937719,,,,,,,,,,0.0,0.0,,,,,,
CC(C)Oc1ccc(CC2CC(=O)NC2=O)cc1,CID646428,,,,,,,,,,0.0,,,0.0,,,0.0,0.0
CCOc1ccc(CC2CC(=O)NC2=O)cc1,CID657573,,0.0,0.0,,,,,,,,,,,,,,
CC(c1ccccc1)C1CC(=O)N(CC(=O)O)C1=O,CID2976163,,,0.0,,,,,,,0.0,,,,,0.0,,0.0
CCOC(=O)c1ccccc1NC(=O)CCNC(=O)Cn1cnc2ccccc2c1=O,CID3243383,,0.0,,,,,,0.0,,0.0,0.0,,,,,,
COc1cc(OC)c(NC(=O)CCNC(=O)Cn2cnc3ccccc3c2=O)cc1Cl,CID3235824,,,,0.0,,,0.0,,,0.0,,,0.0,,,,
COC(=O)c1ccccc1NC(=O)CCNC(=O)Cn1cnc2ccccc2c1=O,CID3243831,,,,,,,,0.0,,,,,,,,,
COc1ccc(NC(=O)CCNC(=O)Cn2cnc3ccccc3c2=O)c(OC)c1,CID3237827,,0.0,,,,,,,,,,,0.0,,,,
COc1ccc(Cl)cc1N(C)C(=O)CCNC(=O)Cn1cnc2ccccc2c1=O,CID3237377,,,,,,,,,,,,,,,,,0.0
COc1cc(OC)c(N(C)C(=O)CCNC(=O)Cn2cnc3ccccc3c2=O)cc1Cl,CID3238155,,,0.0,0.0,,,,,,,,,,,,,
NC(=O)C1(N2CCCCC2)CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1,CID3245719,,,,,,,,,,,,,,0.0,,,
O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC(N2CCCCC2)CC1,CID3239572,0.0,,,,,,,,,,,,0.0,,,,
COc1cccc(NC(=O)N2CCC(N3CCCCC3)CC2)c1,CID3241541,0.0,0.0,0.0,,,,,,,,0.0,0.0,,,,,
COc1cccc(NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)c1,CID3243976,0.0,0.0,,,,,0.0,,,0.0,,,,,,0.0,
O=C(Nc1ccccc1C(F)(F)F)N1CCC(N2CCCCC2)CC1,CID3239537,0.0,,,0.0,0.0,,,,,,,,,,,,0.0
Cc1cccc(C)c1NC(=O)N1CCC(N2CCCCC2)CC1,CID3240317,,,,0.0,,,,,,,,,,,,,0.0
O=C1C(=C2C=CNC=C2)C(=O)c2ccccc21,CID5389994,,,,,,,,,,0.0,,,,,,,
CCCN1C=CC(=C2C(=O)c3ccccc3C2=O)C=C1,CID793991,,,,0.0,,,0.0,0.0,0.0,0.0,,,0.0,,,,
CCN1C=CC(=C2C(=O)c3ccccc3C2=O)C=C1,CID206388,,,,,,0.0,,,0.0,0.0,0.0,,0.0,,,,0.0
CC1=CC(=C2C(=O)c3ccccc3C2=O)C=C(C)N1C,CID1535225,,,,,,,,,0.0,0.0,0.0,,0.0,0.0,,,
CN1C=CC(=C2C(=O)c3ccccc3C2=O)C=C1,CID793927,,,,,,0.0,,,0.0,,,0.0,0.0,,,,
CCCCCN1C=CC(=C2C(=O)c3ccccc3C2=O)C=C1,CID1878864,,,,,,,,,,,,,,0.0,,,
COCC(C)OC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(Cc2ccccc2)CC1,CID660751,0.0,,,,,0.0,,,,,,0.0,,,,0.0,
CC(C)OC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(Cc2ccccc2)CC1,CID660522,0.0,,,,,,,,,,0.0,0.0,0.0,,,,0.0
C=CCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(Cc2ccccc2)CC1,CID659806,,,,0.0,,,,,,0.0,0.0,,,,,,
CC(C)COC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(Cc2ccccc2)CC1,CID661983,0.0,,0.0,,,,,,,,,0.0,,,,,
C=CCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(Cc2ccccc2)CC1,CID660268,0.0,,,,,,,,,,,,,,0.0,,0.0
COCCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(Cc2ccccc2)CC1,CID660374,,,,,,,,,,0.0,,,,,0.0,,
CCOc1ccc(Nc2cc(=O)n(C)c(=O)n2C)cc1,CID760883,,0.0,0.0,0.0,,0.0,,0.0,,,,0.0,,,,,
CCCCN(c1ccccc1)c1cc(=O)n(C)c(=O)[nH]1,CID648694,0.0,,,,,,,0.0,,0.0,,,0.0,,,0.0,
Cc1ccc(Nc2cc(=O)[nH]c(=O)[nH]2)cc1C,CID737912,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)cc(Nc2cc(=O)n(C)c(=O)n2C)c1,CID777114,,,,,,0.0,,,,,,,,,,,
CN(c1ccccc1)c1cc(=O)n(C)c(=O)[nH]1,CID181503,,,,,,,,,,0.0,,0.0,,,,,
CCN(c1ccccc1)c1cc(=O)n(C)c(=O)[nH]1,CID654311,,,,,,,,,0.0,,0.0,,,,,,
CC(C)(C)c1ccccc1OCCCCN1CCCC1,CID1819330,,,,,,,,,,,,,,,0.0,,
C=CCc1ccccc1OCCCCN1CCCC1,CID2581382,,,,,,,,,,,0.0,,,,,,
Clc1ccccc1OCCCCN1CCCC1,CID2057794,0.0,,,,,0.0,,,,,,,,,,,
CCOc1ccccc1OCCCCN1CCCC1,CID2262095,,,,,,,,,,,0.0,,,,,0.0,
CC(C)c1cccc(C(C)C)c1OCCCCN1CCCC1,CID2248802,,,,,,,,,,,0.0,,,,,,
COc1cccc(OC)c1OCCCCN1CCCC1,CID2262188,,,,,,,0.0,,,,,,,,,0.0,
Nc1ccc(C(=O)Nc2ccco2)cc1,CID774475,,,,,,,,,,0.0,,0.0,,,,,
Nc1cccc(C(=O)Nc2ccco2)c1,CID648090,,,0.0,0.0,,,0.0,,,,,0.0,,,,,
COC(=O)c1ccc(NC(=O)c2cccc(Cl)c2)o1,CID2767878,,,,,,0.0,,,,,,,,0.0,,,
COC(=O)c1ccc(NC(=O)c2ccc(F)cc2)o1,CID2767873,,,,,,0.0,,,,,,,,,,,
COC(=O)c1ccc(NC(=O)c2ccccc2)o1,CID2767872,,,,,,,,,,,,,,,0.0,,
COC(=O)c1ccc(NC(=O)c2ccc(C)cc2)o1,CID2767877,,,,,,,,,,,,0.0,,,,,
COC(=O)n1c(=S)oc2cc(Cl)ccc21,CID657975,,,,,,,,,,0.0,,,,0.0,,,
CCCCOC(=O)CCn1c(=S)oc2ccccc21,CID648092,,,,,,,0.0,,,,0.0,,,0.0,,,
CC(C)NC(=O)CCn1c(=S)oc2ccccc21,CID5064408,,,,,,,,,,,,,,0.0,,,
CCCCOC(=O)n1c(=S)oc2cc(Cl)ccc21,CID535372,,,,,,,,,,0.0,,,,0.0,,,
O=C(O)CCn1c(=S)oc2ccccc21,CID697381,,,,,,,,,0.0,,,,,,,,
CCCOC(=O)CCn1c(=S)oc2ccccc21,CID647005,,,,0.0,0.0,,0.0,,,,,,,,,,
COc1ccc(CN2CCN(c3ncccn3)CC2)c(OC)c1,CID199200,0.0,0.0,,,,,,,,,,,,,0.0,,
Fc1cccc(F)c1CN1CCN(c2ncccn2)CC1,CID782365,,0.0,,0.0,,,0.0,,,,,,,,,,
Fc1ccc(CN2CCN(c3ncccn3)CC2)cc1,CID764662,,,,,,,,,,,,0.0,,,,,
Fc1cccc(CN2CCN(c3ncccn3)CC2)c1,CID763417,,0.0,,0.0,,,,0.0,,,,,,,,,
Fc1ccc(F)c(CN2CCN(c3ncccn3)CC2)c1,CID782050,,0.0,0.0,,,,,,,,,,,,,,
COc1cccc(CN2CCN(c3ncccn3)CC2)c1,CID791317,,,0.0,,,,,,,,,,,,,,
Clc1ccc(-c2nnc3sc(-c4ccccn4)nn23)cc1,CID665360,,0.0,0.0,0.0,0.0,0.0,,,,,,,,,,,0.0
Clc1ccccc1-c1nnc2sc(-c3ccccn3)nn12,CID665427,,,0.0,0.0,0.0,,,,,,,,0.0,,,,
COc1cccc(-c2nnc3sc(-c4ccccn4)nn23)c1,CID665515,0.0,,,0.0,0.0,,0.0,0.0,0.0,,,,0.0,0.0,,0.0,
COc1ccc(-c2nnc3sc(-c4ccccn4)nn23)cc1,CID665324,0.0,0.0,,,0.0,,,0.0,,,,,,,,0.0,
CC(C)(C)c1ccc(-c2nnc3sc(-c4ccccn4)nn23)cc1,CID848736,0.0,0.0,,,,0.0,,,,,,,,,,0.0,
COc1cc(-c2nnc3sc(-c4ccccn4)nn23)cc(OC)c1OC,CID665883,0.0,,,,0.0,,,0.0,0.0,,,,,,,0.0,
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NCc1ccco1,CID649013,,,,,,,0.0,,,0.0,,,,0.0,,,0.0
Cc1ccc(N(CC(=O)NCc2ccco2)S(=O)(=O)c2ccccc2)cc1,CID1148604,,0.0,0.0,,0.0,,,,,,0.0,,,,,,0.0
CCOc1ccc(N(CC(=O)NCc2ccco2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1,CID1318703,,,,,0.0,,,0.0,,0.0,0.0,,,,,0.0,
COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)c2ccccc2)cc1OC,CID650560,,,0.0,,0.0,,,,,,0.0,,,,,,
COc1ccc(N(CC(=O)NCc2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1,CID1144925,,,,,,,,,,,,,,0.0,,,
COc1ccc(N(CC(=O)NCc2ccco2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1,CID1049305,,,0.0,,0.0,0.0,,0.0,0.0,,0.0,,,,,0.0,0.0
O=C(Nc1ccc(Cl)cc1)N(Cc1nnc2n1CCCCC2)c1ccccc1,CID2316531,0.0,,,,,0.0,0.0,,,,0.0,,0.0,,,,
CCOc1ccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2cccc(C)c2)cc1,CID1511958,,,,,,,,,,,,,,,0.0,,
Cc1ccccc1N(Cc1nnc2n1CCCCC2)C(=O)Nc1ccccc1,CID2370829,,,0.0,,,,,,,,,,,,,0.0,0.0
COc1ccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2ccccc2)cc1,CID978928,,,,,,,,,,,,,,,0.0,,
Cc1cccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2ccccc2)c1,CID3241496,,0.0,,,,0.0,,,,0.0,,,,,,0.0,0.0
O=C(Nc1ccc(F)cc1)N(Cc1nnc2n1CCCCC2)c1ccccc1,CID2370198,,,,,,,,,,,,0.0,,,,,
COc1ccc(Cc2nnc(SCC(=O)c3ccc(OC)cc3)o2)cc1,CID1076534,0.0,,0.0,,,,,0.0,,0.0,0.0,,,0.0,,,
O=C(CSc1nnc(Cc2ccccc2)o1)c1ccc(Cl)cc1,CID854782,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(Cc2nnc(SCC(=O)c3ccc(OC)cc3)o2)cc1,CID1896583,,,,,,,,,,0.0,0.0,,0.0,0.0,,,0.0
O=C(CSc1nnc(Cc2ccccc2)o1)c1cc(F)ccc1F,CID2540259,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)CSc2nnc(Cc3ccccc3)o2)cc1,CID652522,0.0,0.0,0.0,0.0,,,,,,0.0,0.0,,0.0,0.0,,,0.0
COc1ccc(Cc2nnc(SCC(=O)c3ccccc3)o2)cc1,CID854790,0.0,,0.0,0.0,,,,,,,0.0,,,,,0.0,
CCOC(=O)Cc1csc(NC(=O)c2cccnc2)n1,CID1245271,,,,,,,,0.0,0.0,0.0,,0.0,0.0,,,0.0,
Cc1cnc(NC(=O)c2cncc(Br)c2)s1,CID2094441,,,,,,,,,,,,,,0.0,,,
CCOc1ncccc1C(=O)Nc1nc(C(C)(C)C)cs1,CID2450368,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1sc(NC(=O)c2cncc(Br)c2)nc1C,CID1126047,,,,,,,,,0.0,,,,,0.0,,,
CCOC(=O)c1sc(NC(=O)c2cccnc2)nc1C,CID4124935,,0.0,,0.0,,,,0.0,,,0.0,,,,,,
O=C(Nc1nccs1)c1cncc(Br)c1,CID2117859,,,,,,,,,,,,,,0.0,,,
CCOc1ccc2nc(NC(=O)CN3CCOCC3)sc2c1,CID2099761,,,,,,,,,,,,,,0.0,,,
COc1ccc2nc(NC(=O)CN3CCOCC3)sc2c1,CID709709,,,,,,,,,0.0,,,0.0,,,,,
O=C(CN1CCOCC1)Nc1nc2ccc(F)cc2s1,CID2124318,,,,,,0.0,,,,0.0,,,,,,,
O=C(CN1CCOCC1)Nc1nc2ccc(Br)cc2s1,CID2355993,,,,,,,,,0.0,,0.0,,,0.0,,,
O=C(CN1CCOCC1)Nc1nc2cc([N+](=O)[O-])ccc2s1,CID1240594,,,,,,,,,,,,,,0.0,,,
Cc1ccc2nc(NC(=O)CN3CCOCC3)sc2c1,CID1250020,,,0.0,0.0,0.0,,,,0.0,0.0,,0.0,0.0,,,,
CCOc1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2cccc3nsnc23)C1,CID3238738,,,,0.0,0.0,0.0,,,,,,,,,,0.0,
COc1ccc(OC)c(NC(=O)C2CCCN(S(=O)(=O)c3cccc4nsnc34)C2)c1,CID3237027,,,,,0.0,0.0,,,,,0.0,,0.0,0.0,,,0.0
COc1cc(NC(=O)C2CCCN(S(=O)(=O)c3cccc4nsnc34)C2)cc(OC)c1,CID3240792,,,,0.0,0.0,,0.0,,,,,,,,,0.0,0.0
COc1cccc(NC(=O)C2CCCN(S(=O)(=O)c3cccc4nsnc34)C2)c1,CID3241185,,,,,0.0,0.0,,,,,,,,,,0.0,0.0
CCOc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cccc4nsnc34)C2)cc1,CID9551241,,,,,,,,,,,0.0,,,,,,
COc1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2cccc3nsnc23)C1,CID3238029,0.0,,,,0.0,0.0,,,,,,,0.0,,,0.0,
CCCC(=O)n1nc(-c2ccco2)nc1N,CID757193,,,,,,,,,0.0,,0.0,0.0,,0.0,,,
CC(=O)n1nc(-c2ccco2)nc1N,CID757187,,0.0,0.0,0.0,,,,0.0,0.0,,,0.0,0.0,0.0,0.0,,
CCC(=O)n1nc(-c2ccco2)nc1N,CID757189,,0.0,,,,,0.0,0.0,,,,0.0,,,,,
CCS(=O)(=O)n1nc(-c2ccco2)nc1SC,CID650210,,0.0,,,,,0.0,,,0.0,0.0,,0.0,,,,
CCS(=O)(=O)n1nc(-c2ccco2)nc1N,CID828748,,,,,,,,,,,,,,0.0,,,
CSc1nc(-c2ccco2)nn1S(C)(=O)=O,CID828750,,0.0,,,,,,,0.0,,,,,,,,0.0
CCn1c(O)c(C(=O)Nc2cnccn2)c(=O)c2ccccc21,CID649318,,,,0.0,,,0.0,,,,,,0.0,,,,
CC(C)Cn1c(O)c(C(=O)Nc2cnccn2)c(=O)c2ccccc21,CID648417,,0.0,,0.0,,,0.0,,,,0.0,,0.0,,,,
Cn1c(O)c(C(=O)Nc2cnccn2)c(=O)c2ccccc21,CID644891,,0.0,,0.0,,,0.0,,0.0,,,,0.0,,,,
CCCCCn1c(O)c(C(=O)Nc2cnccn2)c(=O)c2ccccc21,CID1553188,,,,,,,,,,,,,,,0.0,,
CCCn1c(O)c(C(=O)Nc2cnccn2)c(=O)c2ccccc21,CID646622,,,,,,,0.0,0.0,0.0,,,,,,,,
CCCCn1c(O)c(C(=O)Nc2cnccn2)c(=O)c2ccccc21,CID644462,,,,0.0,,0.0,,,,,,,,,,,
COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccoc2C)n1C,CID654108,0.0,0.0,0.0,,0.0,0.0,,,0.0,,0.0,,,,,0.0,0.0
CCOC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccoc3C)n2CC)c1,CID647129,0.0,,,,0.0,,,0.0,,,0.0,,0.0,,,0.0,0.0
CCCn1c(SCC(=O)Nc2cccc(C(=O)OCC)c2)nnc1-c1ccoc1C,CID648408,0.0,,,,,,,0.0,,,0.0,,0.0,,,0.0,
CCn1c(SCC(=O)Nc2ccccc2C(=O)OC)nnc1-c1ccoc1C,CID654850,,,,0.0,0.0,,,,,,,,0.0,,,0.0,0.0
CCOC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccoc3C)n2CCOC)c1,CID647110,,,0.0,0.0,,,,,,,,,,,,0.0,
Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccoc2C)n1C,CID645103,0.0,0.0,,0.0,0.0,,,,,,0.0,,0.0,,,0.0,0.0
COc1ccc2[nH]c(C)c(C(=O)CN3CCOCC3)c2c1,CID567995,0.0,,,0.0,,,0.0,0.0,,,,,,,,,
Cc1ccc2[nH]cc(C(=O)CN3CCOCC3)c2c1,CID4528167,,,,,,,,,,,0.0,,,,,,
Cc1ccc2c(C(=O)CN3CCOCC3)c(C)[nH]c2c1,CID718239,,,,,,,,,,0.0,,0.0,,,0.0,,
COc1ccc2[nH]c(C)c(C(=O)CN3CC(C)OC(C)C3)c2c1,CID661600,0.0,,,,0.0,,,,,,,0.0,,0.0,,,0.0
COc1ccc2c(c1)c(C(=O)CN1CCOCC1)c(C)n2C,CID657475,,,0.0,,,,,,,0.0,,,,,,,
COc1ccc2c(C(=O)CN3CC(C)OC(C)C3)c[nH]c2c1,CID664806,0.0,,,0.0,,,,,,,,,,,,,0.0
CC(C)NC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O,CID2787183,,,,,,,,,0.0,,,,,,,,
N#[N+]/C=C(\[O-])CNC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O,CID5389234,,,0.0,,,,,0.0,,,0.0,,0.0,,,,
O=C(O)c1ccc2c(c1)C(=O)N(C(Cc1ccc(O)cc1)C(=O)O)C2=O,CID3239413,,,,,,,,0.0,,,,0.0,,0.0,,,
CCOC(=O)C(CC(C)C)NC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O,CID5220793,,,,,,0.0,,,,,,,,,,,
O=C(O)c1ccc2c(c1)C(=O)N(C(Cc1ccccc1)C(=O)O)C2=O,CID2925620,,,,,,,,,,,,0.0,,,,,
O=C(O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O,CID227754,,,,,,0.0,,,,,,,,,0.0,,
C/C(=N\Nc1ccc(F)cc1F)c1ccc(F)cc1,CID3523449,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(/C=N/N(C)c2ccccc2)cc1OC,CID2845086,,,,,,,,,,0.0,,,,,0.0,,
COc1cc(OC)c(OC)cc1/C=N/N(C)c1ccccc1,CID2845097,,,,,,,,,,,0.0,,,,,,
CCCOc1ccc(/C=N/Nc2ccccc2[N+](=O)[O-])c(OCCC)c1,CID4240382,,,,,,,,,,,,,,0.0,,,
C/C(=N\Nc1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1C,CID3579160,,,,,,,,,,,,,,,0.0,,
CCOc1ccccc1/C=N/Nc1ccccc1[N+](=O)[O-],CID2841329,,,,,,0.0,,,,,,,,,,,
CSc1ccc(S(=O)(=O)NCCOc2ccccc2C)cc1,CID2195327,,,0.0,,,,,,,0.0,,,0.0,,,,
COc1ccc(OCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1,CID2900733,,,,,,,,,,,,,,0.0,,,
COc1ccc(OCCNS(=O)(=O)c2ccccc2)cc1,CID2266358,,,0.0,,0.0,,0.0,0.0,,,,,,,,,
COc1ccc(S(=O)(=O)NCCOc2ccccc2)cc1C,CID2231172,,,,,,,,,,,,,,0.0,,,
CCc1ccc(OC)c(S(=O)(=O)NCCOc2ccccc2)c1,CID1811250,,,0.0,0.0,0.0,,0.0,,,0.0,,,,,,0.0,
COc1ccc(S(=O)(=O)NCCOc2ccccc2)cc1OC,CID1811207,,,,0.0,,,,,,,0.0,,,,,,
COCCNC(=O)/C(=C/c1ccccc1Cl)c1ccccc1,CID2288500,,,,,,,,,,,,,,0.0,0.0,,
COc1cc(/C(C#N)=C/c2ccccc2)c([N+](=O)[O-])cc1OC,CID678934,,,,,,,,,,,0.0,,,0.0,0.0,,
CC(C)NC(=O)/C(=C/c1ccccc1)c1ccccc1,CID718290,,,,,,0.0,,,,,,,,,,,
COc1cccc(/C=C(\C(=O)O)c2ccccc2)c1,CID2325630,,,,,,,,,,,,,,0.0,,,
O=C(O)/C(=C\c1ccc(Cl)cc1)c1ccc(F)cc1,CID2333495,,,,,,,,,,,,,,0.0,,,
Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1,CID445154,,,,,0.0,,,,,,0.0,,,,,,
Cn1c(=O)c2c(nc(CN3CCc4ccccc4C3)n2Cc2ccccc2F)n(C)c1=O,CID666849,,,,0.0,,,,,,,,,,,,,0.0
Cn1c(=O)c2c(nc(CN3CCc4ccccc4C3)n2Cc2ccccc2)n(C)c1=O,CID665959,0.0,,0.0,,,,,,,,0.0,,,,,,0.0
Cn1c(=O)c2c(nc(CN3CCc4ccccc4C3)n2Cc2ccc(F)cc2)n(C)c1=O,CID666431,,,0.0,,,,,,,0.0,,,,,,,
Cn1c(=O)c2c(nc(CN3CCc4ccccc4C3)n2Cc2ccc(Cl)cc2)n(C)c1=O,CID666641,0.0,,,,,,0.0,,,,,,,,,,
Cc1ccccc1Cn1c(CN2CCc3ccccc3C2)nc2c1c(=O)n(C)c(=O)n2C,CID667113,0.0,,,,,,,0.0,,,,0.0,,,,,0.0
Cn1c(=O)c2c(nc(CN3CCc4ccccc4C3)n2Cc2cccc(Cl)c2)n(C)c1=O,CID4891818,0.0,,0.0,,,,,,,,,,,,,,
CC1CC(C)CN(C(=O)CSc2nnc(-c3ccc(Cl)s3)o2)C1,CID4286137,,,,,0.0,,,,,,,,,,,,
O=C(CSc1nnc(-c2cccs2)o1)N1CCCCC1,CID865286,0.0,,0.0,,0.0,0.0,,,0.0,0.0,,,,,0.0,,
CC1CCCCN1C(=O)CSc1nnc(-c2ccc(Cl)s2)o1,CID3239213,0.0,,,,0.0,,,,,,,,,,,,
CCC1CCCCN1C(=O)CSc1nnc(-c2ccc(Cl)s2)o1,CID3243563,,,,,0.0,0.0,,,,,,,,,,,
CC1CCCC(C)N1C(=O)CSc1nnc(-c2cccs2)o1,CID2999658,0.0,,,0.0,,,,,,0.0,0.0,,0.0,,,,
CCC1CCCCN1C(=O)CSc1nnc(-c2cccs2)o1,CID3236735,0.0,0.0,0.0,0.0,0.0,,,,,0.0,,,,,,,
CCOC(=O)c1nn(-c2ccccc2)c(=O)c2c(N)scc12,CID647821,,0.0,,,0.0,,0.0,,0.0,,,,,0.0,,,
CCOC(=O)c1nn(-c2ccccc2C)c(=O)c2c(N)scc12,CID892976,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)c2c(N)scc12,CID686852,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)c2c(N)scc12,CID3153302,,,,,,,,,0.0,,,,,,,,
CCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c(N)scc12,CID719449,,0.0,0.0,,,,0.0,,0.0,,,,,0.0,,1.0,
CCOC(=O)c1nn(-c2ccc(C)c(C)c2)c(=O)c2c(N)scc12,CID798725,,,,,,,,,0.0,0.0,,,,0.0,,,
COc1ccc(C(=O)c2ccc(N3CCOCC3)cc2)c(OC)c1,CID658490,0.0,,,,,0.0,,,,,,,,,0.0,,
Nc1cc(C(=O)c2ccccc2)ccc1N1CCOCC1,CID1093516,,,,,,,,,,,0.0,0.0,,,,,
Cc1cc(N2CCOCC2)c(F)cc1C(=O)c1ccccc1,CID728759,,,,,,0.0,,,,0.0,,,,,,,
O=C(c1ccccc1)c1cc(F)c(N2CCOCC2)cc1Cl,CID775599,,,0.0,0.0,,0.0,,,,,,,,0.0,,0.0,
CC(=O)Nc1cc(C(=O)c2ccccc2)ccc1N1CCOCC1,CID2204130,,,0.0,0.0,,,0.0,,0.0,,,,,,,,
O=C(c1ccccc1)c1ccc(N2CCOCC2)c(F)c1,CID683332,,,,,,,,0.0,,,,,,,,,
COc1ccc(-c2nc(C#N)c(NCC3CCCO3)o2)cc1OC,CID663381,,,,,0.0,0.0,,0.0,0.0,,,,,,,,
N#Cc1nc(-c2ccccc2Cl)oc1NCC1CCCO1,CID2941166,0.0,0.0,,0.0,,0.0,0.0,,,,,,,0.0,,,0.0
COc1ccc(-c2nc(C#N)c(NCC3CCCO3)o2)cc1,CID2941916,0.0,,,,0.0,,,,,,0.0,,,0.0,,,
CCOc1ccc(-c2nc(C#N)c(NCC3CCCO3)o2)cc1,CID2941076,,,,,,,,,0.0,,0.0,,,,0.0,,
N#Cc1nc(-c2ccc(Cl)cc2)oc1NCC1CCCO1,CID2920810,,,,,,,,,,,,,,0.0,,,
CCCOc1ccc(-c2nc(C#N)c(NCC3CCCO3)o2)cc1,CID2963505,,,,,,,,,0.0,,0.0,,,,,,
CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2n[nH]c(=S)n2-c2ccccc2OC)cc1,CID3240887,,,,,0.0,,,,0.0,0.0,0.0,0.0,,,,0.0,0.0
COc1ccc(-n2c(CNC(=O)c3cc(OC)c(OC)c(OC)c3)n[nH]c2=S)cc1,CID3245815,,,,,0.0,,,,,,,,0.0,,,,
COc1ccc(C(=O)NCc2n[nH]c(=S)n2-c2ccccc2)cc1OC,CID3237156,,,,,0.0,,,,,,,,0.0,,,0.0,
COc1cc(OC)cc(C(=O)NCc2n[nH]c(=S)n2-c2ccccc2OC)c1,CID3244291,,,,0.0,0.0,,0.0,,0.0,,,,,,,,0.0
COc1cccc(C(=O)NCc2n[nH]c(=S)n2-c2cccc(C)c2)c1,CID3240676,0.0,0.0,,0.0,0.0,0.0,,,,,,,,,,0.0,
COc1cc(OC)cc(C(=O)NCc2n[nH]c(=S)n2-c2ccccc2)c1,CID3243621,0.0,0.0,,,0.0,,,,,,,,,,,,0.0
Cn1c(=O)[nH]c(=O)c2c1nc(N(CCO)Cc1ccccc1)n2Cc1ccccc1Cl,CID660381,0.0,,0.0,,0.0,,,,,,,,,,,,
COc1ccc(CNc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2C)cc1,CID1397839,0.0,,,,,,,,,,,,0.0,,,,
Cn1c(=O)c2c(nc(NCc3ccccc3)n2Cc2ccc(F)cc2)n(C)c1=O,CID983393,,,,0.0,,,,0.0,,,0.0,,,,,,
Cc1cccc(Cn2c(N(C)Cc3ccccc3)nc3c2c(=O)[nH]c(=O)n3C)c1,CID983208,0.0,,0.0,,,,,,,,,,,,0.0,,0.0
CN(Cc1ccccc1)c1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1Cl,CID659405,0.0,,0.0,,,,,,,,,,0.0,,,,
CN(Cc1ccccc1)c1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1,CID646764,0.0,,,,,,,,,,,,0.0,,0.0,,
CCn1c(N2CCC(Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C,CID665679,0.0,0.0,0.0,,,,,0.0,,,0.0,0.0,,0.0,,,
CC(=O)Cn1c(N2CCC(Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C,CID665467,0.0,0.0,,0.0,,,,0.0,,,0.0,0.0,,,,,
CCCCn1c(N2CCC(Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C,CID665646,0.0,,0.0,0.0,,,,0.0,,,,0.0,0.0,,0.0,,0.0
CCCn1c(N2CCC(Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C,CID665478,0.0,0.0,,,,,,,,0.0,0.0,,0.0,,0.0,,0.0
C=C(C)Cn1c(N2CCC(Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C,CID654167,,0.0,0.0,,,,,,,,,,,,,,0.0
CCCCCn1c(N2CCC(Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C,CID4353821,0.0,,0.0,,,,,,,,,0.0,0.0,,,,
Cc1cc(C)cc(OCC(=O)NCC2CCCO2)c1,CID2861884,,,,,,,,,,,,,0.0,,,,0.0
CCC(C)NS(=O)(=O)c1ccc(OCC(=O)NCC2CCCO2)cc1,CID2950312,,,,,,,,,0.0,,,,,,,,
CC(C)NS(=O)(=O)c1ccc(OCC(=O)NCC2CCCO2)c(Cl)c1,CID2966911,,,,,,,,,0.0,,,0.0,,,,,
O=C(COc1ccccc1)NCC1CCCO1,CID2853002,,,,,,,,,,0.0,,,,,,,
Cc1cc(C)c(C)c(OCC(=O)NCC2CCCO2)c1,CID2935268,,,0.0,0.0,,,0.0,,,,,,,,,0.0,0.0
Cc1ccccc1OCC(=O)NCC1CCCO1,CID2885117,,0.0,,,,,0.0,0.0,,0.0,,,0.0,,,,0.0
Cc1ccc(-c2noc(CCC(=O)NCCc3ccccc3Cl)n2)cc1,CID3241899,0.0,,0.0,,,,,,,,,,,,0.0,0.0,0.0
Cc1cccc(CCNC(=O)CCc2nc(-c3ccccc3F)no2)c1,CID3239188,,,0.0,,,,,0.0,,,,0.0,,,,,
CCOc1ccc(CCNC(=O)CCc2nc(-c3ccc(C)cc3)no2)cc1OCC,CID3240557,0.0,,0.0,,0.0,,,,0.0,0.0,,0.0,0.0,,,,
CCOc1ccc(CCNC(=O)CCc2nc(-c3ccc(OC)cc3)no2)cc1OCC,CID3242858,,,0.0,,0.0,,,0.0,0.0,,,,,,,,
O=C(CCc1nc(-c2ccccc2F)no1)NCCc1ccccc1Cl,CID3244866,0.0,0.0,,0.0,,,,,,,,,,,,,0.0
O=C(CCc1nc(-c2ccccc2)no1)NCCc1ccccc1,CID1947139,,,,,,0.0,,,0.0,,,0.0,,,,,
COc1ccc(-c2nnc(N3CCCCC3)c3ccccc23)cc1,CID2885308,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(-c2nnc(N3CCCCC3)c3ccccc23)cc1,CID6401112,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-c2nnc(N3CCCCC3)c3ccccc23)cc1S(=O)(=O)N(C)C,CID6404160,,,,,,0.0,,,,,,,,,,,
COc1ccc(-c2nnc(N3CCC(C)CC3)c3ccccc23)cc1,CID2952562,,,,,,0.0,,,,,,0.0,,,,,
Cc1ccc(-c2nnc(N3CCC(C)CC3)c3ccccc23)cc1,CID6409081,,,,,,,,,,,,,,,0.0,,
CCN(CC)C(=O)COc1ccc(-c2nnc(N3CCCCC3)c3ccccc23)cc1,CID3246775,0.0,0.0,,,,,,,,,,,,,,,
COc1ccc(CNc2nc3ccccc3n2CCN2CCCCC2)c(OC)c1,CID663110,0.0,0.0,,,,0.0,,,,,,0.0,,,,,
COc1cccc(CNc2nc3ccccc3n2CCN2CCCCC2)c1,CID663284,,,0.0,,,0.0,,,,0.0,,,,,0.0,,
COc1cccc(CNc2nc3ccccc3n2CCN2CCCCC2)c1OC,CID1090111,0.0,,0.0,0.0,,,0.0,,,,,0.0,,,,,0.0
Oc1ccccc1CNc1nc2ccccc2n1CCN1CCCCC1,CID1090110,,,,,,,,,0.0,,,,0.0,,,0.0,0.0
COc1ccc(OC)c(CNc2nc3ccccc3n2CCN2CCCCC2)c1,CID663128,0.0,,,0.0,,,,0.0,,,,,0.0,,0.0,,
COc1ccccc1CNc1nc2ccccc2n1CCN1CCCCC1,CID662454,,,,0.0,,0.0,,0.0,,,0.0,,,,,,0.0
COc1ccnc(-n2cccc2C=O)c1C#N,CID1474325,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C)n1-c1ccc(C#N)cn1,CID3838379,,,,,,,,,,,,,,0.0,0.0,,
COc1ccnc(-n2cccc2/C=N/O)c1C#N,CID1474335,,,,,,,,,,,,,,,0.0,,
CO/N=C/c1cccn1-c1nccc(OC)c1C#N,CID3821188,,,,,,,,,,,,,,,0.0,,
CN(C)c1ccnc(-n2cccc2/C=N/O)c1C#N,CID1471978,,,,,,,,,,,,,,0.0,,,
CCCNS(=O)(=O)c1cccn1-c1ncc(C(F)(F)F)cc1Cl,CID3551648,,,,,,,,,,,,,,0.0,,,
CCc1nnc(NC(=O)CCC(=O)N2CCN(Cc3cc(F)ccc3OC)CC2)s1,CID664463,0.0,0.0,,,,0.0,,0.0,,0.0,0.0,,,,,,
CC(C)c1nnc(NC(=O)CCC(=O)N2CCN(Cc3ccccc3)CC2)s1,CID663598,,0.0,,,,,,0.0,,,0.0,,,,,,
CCc1nnc(NC(=O)CCC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)s1,CID664649,0.0,,0.0,0.0,0.0,,,,,,0.0,0.0,,,,,0.0
CCc1nnc(NC(=O)CCC(=O)N2CCN(Cc3ccccc3)CC2)s1,CID664056,,,0.0,,,,0.0,,,,0.0,,0.0,,,,
COc1ccc(F)cc1CN1CCN(C(=O)CCC(=O)Nc2nnc(C(C)C)s2)CC1,CID664549,0.0,,,,,,,,,,0.0,,,,,,
CCc1nnc(NC(=O)CCC(=O)N2CCN(Cc3cc(Cl)ccc3OC)CC2)s1,CID664693,0.0,,0.0,0.0,0.0,,,,0.0,,,0.0,,,,,
O=C(NCc1ccccc1Cl)c1cnn2cccnc12,CID2235561,0.0,0.0,,,,,0.0,,,,,,,,0.0,0.0,
COc1ccc(CNC(=O)c2cnn3c(C(F)F)cc(C)nc23)cc1OC,CID1093977,0.0,0.0,,,0.0,,,,,,,,,,,,
COc1ccc(CNC(=O)c2cnn3c(C(F)F)cc(C)nc23)cc1,CID1093979,,,,,,,,,,0.0,,,,,,,
Cc1cc(C(F)F)n2ncc(C(=O)NCc3ccccc3)c2n1,CID652197,,,,,0.0,,,,,,,,,,,,
Cc1cc(C)n2ncc(C(=O)NCc3ccccc3)c2n1,CID755926,,,,,,0.0,,,,,0.0,,,,,,
COc1ccccc1CNC(=O)c1cnn2c(C(F)F)cc(C)nc12,CID975142,,,,,,,,,,,,,,,0.0,,
COc1cccc(C(=O)Nc2nnc(-c3cccs3)o2)c1,CID3532590,0.0,0.0,,,0.0,,,0.0,,,,,,,,,
CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1,CID3245694,,,0.0,,0.0,0.0,,,,,0.0,0.0,,,,,
O=C(Nc1nnc(-c2cccs2)o1)c1cccc(C(F)(F)F)c1,CID2104451,0.0,,,,0.0,,,0.0,,0.0,,,,,,0.0,0.0
O=C(Nc1nnc(-c2cccs2)o1)c1cccc(F)c1,CID5080802,,,,,0.0,,,,,,,,,,,,
CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1,CID2051050,,,,,,,,,,,,,,0.0,,,
CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1,CID2057778,,,,0.0,,,,,,,0.0,,,,,0.0,
O=C(Nc1ccccc1C(=O)NCc1ccco1)c1ccccc1,CID1848423,0.0,0.0,0.0,0.0,,,,,0.0,,,,,,,,
COc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1OC,CID1082867,0.0,,,,,0.0,,,0.0,0.0,,,,,,,
COc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)NCc2ccco2)cc1,CID991456,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)NCc2ccco2)cc1OC,CID1202478,,,,,,0.0,,,,,,0.0,0.0,,,0.0,
CN(c1ccccc1C(=O)Nc1ccccc1C(=O)NCc1ccco1)S(C)(=O)=O,CID1019155,,,0.0,,0.0,,,,0.0,,0.0,,,,0.0,0.0,0.0
COc1ccc(C(=O)Nc2ccccc2C(=O)N(Cc2ccco2)C(C(N)=O)C(C)C)cc1,CID4245778,,,,,,,,,,0.0,,,,,,,
COc1cccc(N(CC(=O)NCCSc2ccccc2)S(C)(=O)=O)c1,CID2213884,,,0.0,,0.0,,0.0,,,0.0,,,,,,,
Cc1ccc(N(CC(=O)NCCSc2ccc(Cl)cc2)S(C)(=O)=O)cc1,CID1823582,,,,,,0.0,,,,,,,,,,,
COc1ccccc1N(CC(=O)NCCSc1ccccc1)S(C)(=O)=O,CID2261372,,,0.0,0.0,0.0,,0.0,,,,,,,,0.0,,
COc1cccc(N(CC(=O)NCCSc2ccc(Cl)cc2)S(C)(=O)=O)c1,CID1810963,,,,,,,,,0.0,,,0.0,,0.0,,,
COc1ccc(OC)c(N(CC(=O)NCCSc2ccccc2)S(C)(=O)=O)c1,CID2292147,,,,,0.0,0.0,0.0,,0.0,0.0,,,,,,,
COc1ccc(N(CC(=O)NCCSc2ccccc2)S(C)(=O)=O)cc1,CID2281684,,,,,,,,,,,,,,,0.0,,
CC(=O)c1nn(-c2cccc(Br)c2)cc1C(=O)c1ccccc1,CID1214642,,,,,,,,,,,,0.0,,,0.0,,
CC(=O)c1nn(-c2cccc(Br)c2)cc1C(=O)c1ccc(Cl)cc1,CID1214643,,,,,,,,,,,,,,0.0,,,
CC(=O)c1nn(-c2cccc(Br)c2)cc1C(=O)c1ccc(C)cc1,CID1214644,,,,,,,,,,,,0.0,,,,,
O=C(c1cnn(-c2ccc(Cl)cc2)c1)c1ccccc1O,CID1481828,,,,,,,,,,,,,,0.0,,,
CC(=O)c1nn(-c2ccccc2)cc1C(=O)c1cccc(Br)c1,CID1214663,,,,,,,,,,,,,,,0.0,,
Cc1ccc(-n2cc(C(=O)c3ccccc3O)cn2)cc1,CID1481829,,,,,,0.0,,,,,,0.0,,,,,
CS(=O)CSc1nc2c(cc1C#N)CCCC2,CID3235617,,,,,,,0.0,,,,,0.0,,,,,
CC(C)OC(=O)CC(=O)CSc1nc2c(cc1C#N)CCCC2,CID645845,,0.0,,0.0,,,,,,,,,,,,0.0,
CCS(=O)(=O)CCSc1nc2c(cc1C#N)CCCC2,CID2943068,,,,,,,0.0,,,,,,,,,,
Cc1c(C#N)c(SCC(N)=O)nc2c1CCCC2,CID2997595,,0.0,,0.0,,,,,,,,,0.0,,,,
COC(=O)c1c(C#N)c(N)nc2c1CCCC2,CID612226,,0.0,,,,,,,,,,0.0,,,,,
N#CCSc1nc2c(cc1C#N)CCCC2,CID646581,,,,,,,,,0.0,0.0,0.0,,,,,,
O=C(O)c1nn(-c2ccc(Cl)cc2)ccc1=O,CID653448,,,,,,,,,,,,,,,,0.0,
CNC(=O)c1nn(-c2ccccc2)ccc1=O,CID1481295,,,,,,,,,,,,0.0,,0.0,0.0,,
CNC(=O)c1nn(-c2ccc(C)cc2)ccc1=O,CID1481294,,,,,,,,,,,,0.0,,,0.0,,
COC(=O)c1nn(-c2ccccc2)ccc1=O,CID1481293,,,,,,,,,,,,,,0.0,,,
CNC(=O)c1nn(-c2ccc(Cl)cc2)ccc1=O,CID3828798,,,,,,,,,,,,0.0,,,,,
NC(=O)c1nn(-c2ccccc2)c(O)cc1=O,CID615690,,,,,,,,,,,,0.0,,,,,
Cc1cc2c(N3CCCCC3C)ncnc2s1,CID3235618,,,,,,,,,0.0,,,,,,,0.0,
Cc1sc2ncnc(N3CCCCC3)c2c1C,CID677414,,,,,,,,,,,,,,,0.0,,
Cc1c(C(=O)O)sc2ncnc(N3CCCCC3C)c12,CID2948575,,,,0.0,,,,,,,,,,,,,
Cc1sc2ncnc(N3CCCCC3C)c2c1C,CID2998087,,,,,,,,,,,,,0.0,,,0.0,
Cc1nc(N2CCC(C)CC2)c2c(C)c(C(=O)O)sc2n1,CID3244005,,0.0,,,,,,,,0.0,,,,,,0.0,0.0
Cc1sc2ncnc(N3CCC(C)CC3)c2c1C,CID719963,,,,,,,,,,0.0,,,,,,,
COc1ccc(C2=NOC(C(=O)Nc3cc(C)nn3-c3ccccc3)C2)cc1OC,CID5307145,0.0,,,,,0.0,,0.0,,,,0.0,,,,,
COc1cccc(C2=NOC(C(=O)Nc3cc(C)nn3-c3ccccc3)C2)c1OC,CID5309216,0.0,,0.0,0.0,,,,,,,,,,,,,
Cc1cc(NC(=O)C2CC(c3c(F)cccc3Cl)=NO2)n(-c2ccccc2)n1,CID2962183,,,,,,,,,,,,,,,0.0,,
Cc1cc(NC(=O)C2CC(c3ccc(F)cc3)=NO2)n(-c2ccccc2)n1,CID5307633,,,0.0,0.0,,,,,0.0,,,,,,0.0,,
COc1cc(OC)c(C2=NOC(C(=O)Nc3cc(C)nn3-c3ccccc3)C2)cc1Cl,CID2974284,0.0,0.0,0.0,,0.0,,,,,,,,0.0,0.0,,,
COc1ccc(OC)c(C2=NOC(C(=O)Nc3cc(C)nn3-c3ccccc3)C2)c1,CID5308313,0.0,,,,,,,0.0,,,,,,,,,
COc1ccc(C2CC(=O)c3cnc(NC(=O)c4ccccc4)nc3C2)c(OC)c1,CID664164,,,,,0.0,,,0.0,0.0,,,,,,,,
COc1ccc(C2CC(=O)c3cnc(NC(=O)c4ccccc4)nc3C2)cc1OC,CID2900156,,,,,0.0,,0.0,,0.0,0.0,,,0.0,,,,
COc1ccc(C2CC(=O)c3cnc(NC(=O)c4cc(OC)cc(OC)c4)nc3C2)cc1,CID664084,,,,,0.0,0.0,0.0,,0.0,,0.0,0.0,,,,,
COc1ccc(C2CC(=O)c3cnc(NC(=O)c4cccc(OC)c4)nc3C2)cc1,CID664617,,,,,0.0,0.0,0.0,,0.0,,0.0,0.0,,,,,
COc1cccc(C(=O)Nc2ncc3c(n2)CC(c2ccc(OC)cc2OC)CC3=O)c1,CID663494,,0.0,,,0.0,,,,0.0,,0.0,,,,,,
COc1ccc(C2CC(=O)c3cnc(NC(=O)c4ccccc4OC)nc3C2)c(OC)c1,CID664360,,,,,0.0,,,0.0,0.0,,,,,,,,
O=C(Nc1ccccc1)OCc1cn(-c2ccccc2)nn1,CID1478594,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccc(Cl)cc1)OCc1cn(-c2ccc(Cl)cc2)nn1,CID1475806,,,,,,0.0,,,,,,,,,,,
O=C(Nc1cccc(Cl)c1)OCc1cn(-c2ccc(Cl)cc2)nn1,CID1475804,,,,,,,,,,,,0.0,,,,,
O=C(Nc1ccc(Cl)cc1)OCc1cn(-c2ccccc2)nn1,CID1478612,,,,,,,,,,,,,,,0.0,,
Cc1ccccc1NC(=O)OCc1cn(-c2ccc(Cl)cc2)nn1,CID1475811,,,,,,0.0,,,,,,,,,0.0,,
O=C(Nc1cccc(Cl)c1)OCc1cn(-c2ccccc2)nn1,CID1478611,,,,,,,,,,,,,,,0.0,,
CCc1nnc(NC(=O)CSc2nnc(-c3ccco3)n2CC)s1,CID653214,,0.0,,,,0.0,,,0.0,,,0.0,,,,0.0,
CCn1c(SCC(=O)Nc2nnc(C)s2)nnc1-c1ccco1,CID654077,,,,0.0,,,0.0,,,,,,0.0,,,0.0,0.0
COCCn1c(SCC(=O)Nc2nnc(C)s2)nnc1-c1ccco1,CID3181355,,,,,,,,,,,,,,0.0,,,
CCCn1c(SCC(=O)Nc2nnc(CC)s2)nnc1-c1ccco1,CID647784,0.0,0.0,,0.0,,,,,0.0,,,0.0,,,,0.0,0.0
C=CCn1c(SCC(=O)Nc2nnc(CC)s2)nnc1-c1ccco1,CID3242982,0.0,0.0,,,,,,,0.0,,,,,,,0.0,0.0
CCc1nnc(NC(=O)CSc2nnc(-c3ccco3)n2C)s1,CID645792,,,,,,0.0,0.0,,,,,,,,,0.0,
CCn1cc(C(=O)c2cccs2)c2ccccc21,CID1241971,,,,,,,,,,0.0,0.0,,,,,,
COCCNC(=O)Cn1cc(C(=O)c2cccs2)c2ccccc21,CID2201317,,,,,,,,,,,0.0,,,,,,
O=C(O)Cn1cc(C(=O)c2cccs2)c2ccccc21,CID2212703,,,,,,,0.0,0.0,0.0,,,0.0,0.0,0.0,,,
COCCCNC(=O)Cn1cc(C(=O)c2cccs2)c2ccccc21,CID3155808,,,,,,,,,,,0.0,0.0,,,,,
COC(=O)Cn1cc(C(=O)c2cccs2)c2ccccc21,CID651909,,,,,,,0.0,,0.0,,,,0.0,,,,0.0
CCOC(=O)Cn1cc(C(=O)c2cccs2)c2ccccc21,CID963211,,0.0,,0.0,,,0.0,0.0,0.0,,,,,0.0,,,
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccccc2Cl)c1=N,CID663572,0.0,,,,,,0.0,,,0.0,,,,,,,
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)c1=N,CID651615,,,,,,,,0.0,,,,,0.0,0.0,0.0,,
CCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccccc2)c1=N,CID663961,,,,,,,0.0,0.0,,,,,,,,,
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccc(Cl)cc2)c1=N,CID666470,0.0,,0.0,,,,0.0,,,,,,0.0,,,,
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2Cl)c1=N,CID663307,0.0,0.0,,,,0.0,,,,,,,,,,,
CCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccc(C)cc2)c1=N,CID661014,,,0.0,,,0.0,,,,,,,,,,,
Cc1cc(=O)nc(SCC(=O)c2ccc(C(C)C)cc2)[nH]1,CID706561,0.0,,,0.0,,0.0,0.0,,,,,,0.0,,,,0.0
COc1ccc(C(=O)CSc2nc(=O)cc(C)[nH]2)cc1,CID722456,,0.0,0.0,0.0,,0.0,,,,,,,,,,0.0,0.0
Cc1ccc(C(=O)CSc2nc(=O)cc(C)[nH]2)cc1,CID694600,,,,,,,,,0.0,0.0,,0.0,,,,,
Cc1cc(=O)nc(SCC(=O)c2ccc(C)c(C)c2)[nH]1,CID784995,,0.0,0.0,,,0.0,,0.0,,0.0,,0.0,,,,,
Cc1ccc(C(=O)CSc2nc(=O)cc(N)[nH]2)cc1,CID652668,,0.0,,0.0,,,,,,0.0,,0.0,,,,,
CCc1c(C)[nH]c(SCC(=O)c2ccc(C)c(C)c2)nc1=O,CID646969,,,,,,,,,,,,0.0,,,,,0.0
C=CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1C(CO)NC(=O)c1ccccc1,CID2966709,,0.0,,,,,,,0.0,,,,,,,0.0,0.0
C=CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1C(NC(=O)c1ccccc1)C(C)C,CID3393559,,,,,,,,,,0.0,,,,,,,
COc1ccc(C(=O)NC(C)c2nnc(SCC(=O)Nc3nc(C)cs3)n2C)cc1,CID2967902,,,,,,,,,,0.0,,0.0,,,,,
CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1C(NC(=O)c1ccccc1Cl)C(C)C,CID2945191,,,,,,,,,,,,0.0,,0.0,,,0.0
CC(C)C(NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2nccs2)n1C,CID2941482,,,,,,0.0,,,0.0,0.0,,0.0,,,,,
CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1C(C)NC(=O)c1ccccc1,CID3157781,,,,,,0.0,,,0.0,0.0,,0.0,,0.0,,,
Fc1ccc(NC(=S)NCCc2ccccn2)cc1,CID2177601,,,,,,,,,,,,,,,0.0,,
S=C(NCCc1ccccn1)Nc1ccccc1Cl,CID1311289,,,,,,,,,,,,,,0.0,,,
CN(CCc1ccccn1)C(=S)Nc1ccc(Cl)c(Cl)c1,CID2369859,,,,,,,,,,,,,,0.0,,,
S=C(NCCc1ccccn1)Nc1ccc(Cl)c(Cl)c1,CID881743,,,,,,,,,,,,,,0.0,,,
CN(CCc1ccccn1)C(=S)Nc1ccc(Cl)cc1Cl,CID714341,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1NC(=S)NCCc1ccccn1,CID706983,,,,,,0.0,,,,,,,,,,,
c1ccc(C2=Nn3c(nnc3-c3ccncc3)SC2)cc1,CID662914,0.0,0.0,,,0.0,,0.0,,,,,,,,,,
Clc1ccccc1C1=Nn2c(nnc2-c2ccncc2)SC1,CID665851,,0.0,,,0.0,,,,,,0.0,,,,,,0.0
COc1ccc(C2=Nn3c(nnc3-c3ccncc3)SC2)cc1,CID936270,,,,,,,,,0.0,0.0,,,,,0.0,,
Brc1ccc(C2=Nn3c(nnc3-c3ccncc3)SC2)cc1,CID650338,,,,,,,,,0.0,,0.0,,,,,,0.0
COc1ccc(OC)c(C2=Nn3c(nnc3-c3ccncc3)SC2)c1,CID663502,,,,,0.0,,,,,,0.0,,,,,,
COc1ccc(C2=Nn3c(nnc3-c3ccncc3)SC2)cc1OC,CID3951768,,,,,,,,,,,,,,0.0,,,
Cc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1S(=O)(=O)N1CCN(CCO)CC1,CID1507951,,0.0,,,,,0.0,,,,0.0,,,,,0.0,
Cc1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1-c1nnc2c3ccccc3c(C)nn12,CID662881,,0.0,,,,,0.0,,,,0.0,,0.0,,,0.0,
Cc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1S(=O)(=O)N1CCN(C)CC1,CID662722,0.0,0.0,,,0.0,,,,,,0.0,,0.0,,,,
COc1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1-c1nnc2c3ccccc3c(C)nn12,CID2043852,,0.0,,,,,,0.0,,0.0,0.0,,,,,0.0,
Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nnc2c3ccccc3c(C)nn12,CID662308,0.0,,,,0.0,,,0.0,,,0.0,0.0,0.0,,,0.0,
COc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1S(=O)(=O)N1CCN(CCO)CC1,CID662762,,0.0,,,,,,,,,,,0.0,,,0.0,
COc1ccc(C(=O)NCCCN2CCCC2=O)cc1,CID2105535,,,,,,,,,0.0,0.0,,,,,,,
COc1cc(C(=O)NCCCN2CCCC2=O)cc(OC)c1OC,CID2225103,,,,,,,,,,,,0.0,,,,,
COc1ccccc1C(=O)NCCCN1CCCC1=O,CID2225336,,,,0.0,,,,,,,,,,,,,
O=C(NCCCN1CCCC1=O)c1cccc(C(F)(F)F)c1,CID2712701,,,,0.0,,,,,0.0,,,,,,,,0.0
CCOc1ccc(C(=O)NCCCN2CCCC2=O)cc1,CID2108124,,,,,,,,,,,,0.0,,,,,
Cc1cccc(C(=O)NCCCN2CCCC2=O)c1,CID2105536,,,,,,,,,,0.0,0.0,,,,,,
Cc1ccc2c(c1C)NC(C(=O)O)C1CC=CC21,CID646406,,,,,,,,,,,,,,,,0.0,0.0
CCOC(=O)c1ccc2c(c1)C1C=CCC1C(C(=O)O)N2,CID2859888,,,0.0,,,,,,,,,,,,,,0.0
O=C(O)C1Nc2c(O)cccc2C2C=CCC12,CID654089,,,,,,,,0.0,,,,,,,,,
COc1cccc2c1NC(C(=O)O)C1CC=CC21,CID652912,,,,,,,,0.0,,,,,,,,,
Cc1ccc2c(c1)C1C=CCC1C(C(=O)O)N2,CID646096,,,,,,,,0.0,,,,,,,,,
CC(C)C1Nc2ccc(S(N)(=O)=O)cc2C2C=CCC21,CID2874832,,,,,,,0.0,,,,0.0,,0.0,,,,
O=C(/C=C/c1ccccc1Cl)NCCc1ccccc1,CID700599,,,,,,0.0,,,,,,,,0.0,,,
COc1ccc(CCNC(=O)/C=C/c2ccc(C)cc2)cc1OC,CID887696,,,,,,0.0,,,,,,,,,,,
O=C(/C=C/c1ccc(Cl)cc1)NCCc1ccccc1,CID692389,,,,,,,,,,,,,,0.0,,,
CC(Cc1ccccc1)NC(=O)/C=C/c1ccc(Cl)cc1,CID5730637,,,,,,,,,,,,,,,0.0,,
O=C(/C=C/c1cccc(Cl)c1)NCCc1ccccc1,CID898152,,,,,,,,,,,,,,0.0,,,
COc1ccc(/C=C/C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1,CID1301536,,,,,,,,,,,,,,0.0,,,
COCCn1c(SCC(=O)Nc2sc(C)c(C)c2C#N)nnc1-c1ccc(OC)cc1,CID651831,,0.0,,,,0.0,0.0,,0.0,0.0,,0.0,,,,0.0,0.0
Cc1ccc(-c2nnc(SCC(=O)Nc3sc(C)c(C)c3C#N)n2C)cc1,CID1151027,,,,,,,,,0.0,,,,,,,,
CCOC(=O)c1c(NC(=O)CSc2nnc(-c3cccc(C)c3)n2CC)sc(C(C)=O)c1C,CID2443401,,,,,,0.0,,,,,,,,,,,
Cn1c(SCC(=O)Nc2sccc2C#N)nnc1-c1ccccc1,CID2087492,,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1c(NC(=O)CSc2nnc(-c3ccccc3C)n2C)sc(C(C)=O)c1C,CID656211,,,0.0,0.0,0.0,,,,,0.0,0.0,,,,,0.0,
CCOC(=O)c1c(NC(=O)CSc2nnc(-c3ccccc3)n2CC)sc(C(C)=O)c1C,CID2618363,,,0.0,,0.0,0.0,0.0,,,0.0,0.0,,,,,0.0,
O=C(CSc1ncn[nH]1)c1ccccc1,CID569519,,,,0.0,,0.0,,,,,,,0.0,,,,
CC(C)c1ccc(C(=O)CSc2ncn[nH]2)cc1,CID715443,,0.0,,,,0.0,,,,,0.0,,0.0,,,0.0,0.0
COc1ccc(C(=O)CSc2ncn[nH]2)cc1OC,CID712829,0.0,0.0,0.0,0.0,,,,,,,,0.0,0.0,,,,0.0
CC(C)(C)c1ccc(C(=O)CSc2ncn[nH]2)cc1,CID2241608,,0.0,,0.0,,,,,,0.0,,,,,,0.0,0.0
CCc1ccc(C(=O)CSc2ncn[nH]2)cc1,CID648299,,0.0,,0.0,,0.0,,,,0.0,,,0.0,,,0.0,0.0
Cc1ccc(C(=O)CSc2ncn[nH]2)cc1,CID576797,,0.0,0.0,0.0,,,,0.0,,0.0,,,0.0,,,,0.0
CCc1ccc2[nH]c(=O)c(CN(CCCO)C(=O)NCc3ccccc3)cc2c1,CID3194651,,,,,,,,,0.0,,,,,,,,
COc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=O)NCc3ccccc3)cc2c1,CID649681,,,,,,,,,,,0.0,,,,,0.0,0.0
Cc1ccc(C)c2[nH]c(=O)c(CN(CCCN(C)C)C(=O)NCc3ccccc3)cc12,CID651465,,,0.0,,,,,,0.0,,0.0,,,,,0.0,0.0
Cc1ccc2cc(CN(CCCN(C)C)C(=O)NCc3ccccc3)c(=O)[nH]c2c1C,CID645692,,,,,,,,,0.0,,0.0,,,,,0.0,0.0
Cc1ccc2[nH]c(=O)c(CN(CCO)C(=O)NCc3ccccc3)cc2c1,CID649491,0.0,,,,,,,,,,,,0.0,,,0.0,0.0
CCc1ccc2[nH]c(=O)c(CN(CCO)C(=O)NCc3ccccc3)cc2c1,CID646947,0.0,,,0.0,,,,0.0,0.0,,,,,,,,
CCCCCNC(=O)C1CC(=O)OC12CCCCC2,CID3149178,,,,,,,,,,,,,,,0.0,,
CC(C)(C)NC(=O)C1CC(=O)OC12CCCCC2,CID652355,,,0.0,,,,,0.0,,,,,,,,0.0,
CC(C)N(C(=O)C1CC(=O)OC12CCCCC2)C(C)C,CID2920750,,,,,,,,,,,,,0.0,,,0.0,
CCN(CC)C(=O)C1CC(=O)OC12CCCCC2,CID2836718,,,,,,,,,,0.0,,,,,,,
CCNC(=O)C1CC(=O)OC12CCCCC2,CID3834440,,,,,,0.0,,,,,,,,,0.0,,
CC(C)CNC(=O)C1CC(=O)OC12CCCCC2,CID649959,,,,,,,,0.0,0.0,0.0,,,,,,,
CCN(CC)c1ccc2nonc2c1N,CID666403,,0.0,0.0,0.0,,,0.0,,,,,,,0.0,,,
CN(C)c1ccc2nonc2c1N,CID666040,,,,0.0,,,,,,,,,,,0.0,,
CC(C)CCNC(=O)CCS(=O)(=O)c1cccc2nonc12,CID3243241,,0.0,,,,,,,,0.0,,,,,,0.0,
CC(=O)Nc1cc(OC(C)=O)c2nonc2c1OC(C)=O,CID597363,,,,,,,,1.0,,,,,,,,,0.0
CCN(CC)S(=O)(=O)c1cccc2nonc12,CID712285,,,0.0,,,,0.0,,,,,,0.0,,,0.0,
CCCCC(CC)CNC(=O)CCS(=O)(=O)c1cccc2nonc12,CID3239712,,,,,,,,,,0.0,,,,,,,
COc1ccc(C(=O)CSc2nc3cccnc3n2C)cc1,CID3214190,,,,,,,,,,,,0.0,,,,,
Cc1ccc(C(=O)CSc2nc3cccnc3n2C)cc1,CID647976,,0.0,,,,,0.0,0.0,,,,0.0,,,,,
Cn1c(SCC(=O)c2ccc(F)cc2)nc2cccnc21,CID651226,,,,0.0,,,0.0,,,,,,,,,0.0,
Cn1c(SCC(=O)c2ccccc2)nc2cccnc21,CID655285,,0.0,,,,,,,,,0.0,0.0,0.0,,,,
COc1cccc(C(=O)CSc2nc3cccnc3n2C)c1,CID3214183,,,,,,,,,,,0.0,0.0,,,,,
COc1ccc(OC)c(C(=O)CSc2nc3cccnc3n2C)c1,CID652878,0.0,,,,,,0.0,0.0,,,,0.0,0.0,,,,
CN(Cc1ccccc1)c1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1,CID648901,0.0,,0.0,,,,,0.0,0.0,,0.0,0.0,,,,,0.0
Cn1c(=O)[nH]c(=O)c2c1nc(N(CCO)Cc1ccccc1)n2CCCc1ccccc1,CID1400717,,,,,,,,,,,0.0,0.0,,0.0,,,0.0
COc1ccc(CNc2nc3c(c(=O)[nH]c(=O)n3C)n2CCCc2ccccc2)cc1,CID662644,0.0,,,,,,0.0,,,,,0.0,,,,,0.0
CN(Cc1ccccc1)c1nc2c(c(=O)n(C)c(=O)n2C)n1CCCc1ccccc1,CID659536,0.0,,0.0,0.0,,,,,,,,0.0,,,0.0,0.0,
Cn1c(=O)c2c(nc(NCc3ccccc3)n2CCCc2ccccc2)n(C)c1=O,CID644651,0.0,0.0,0.0,,,,,0.0,0.0,,0.0,0.0,0.0,,0.0,,
Cn1c(=O)[nH]c(=O)c2c1nc(NCc1ccccc1)n2CCCc1ccccc1,CID657483,,,0.0,,,,,,,,,,,,,,
COc1cc2[nH]c(=O)n(CCC(=O)N3CCN(c4cccc(C)c4C)CC3)c(=O)c2cc1OC,CID3238827,,,,,,,,,,,,,0.0,,,,
Cc1cccc(N2CCN(C(=O)CCn3c(=O)[nH]c4ccccc4c3=O)CC2)c1C,CID3235651,0.0,0.0,,,,0.0,,0.0,,,,,0.0,,,,
O=C(CCn1c(=O)[nH]c2ccccc2c1=O)N1CCN(c2ccc(Cl)cc2)CC1,CID3245866,0.0,,,,,,,,,0.0,,,,,,,
COc1cc2[nH]c(=O)n(CCC(=O)N3CCN(c4cc(Cl)ccc4C)CC3)c(=O)c2cc1OC,CID3243265,,,0.0,,,,,,,,,,,,,,
O=C(CCn1c(=O)[nH]c2ccccc2c1=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1,CID3245178,0.0,,,,0.0,,,,,,,,,,,,
CCOc1cc2[nH]c(=O)n(CCC(=O)N3CCN(c4ccccc4OC)CC3)c(=O)c2cc1OCC,CID3245594,0.0,,,,,,,,,,,,0.0,,,0.0,
CN(C)c1ncc(S(=O)(=O)c2ccccc2)c(-c2ccc(Cl)cc2Cl)n1,CID1488211,,,,,,0.0,,,,,,,,0.0,,,
Cc1ncc(S(=O)(=O)c2ccccc2)c(-c2ccccc2)n1,CID1488217,,,,,,0.0,,,,,,,,,,,
Cc1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(-c2ccccc2)n1,CID1488253,,,,,,,,,0.0,,,,,,0.0,,
CN(C)c1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(-c2ccccc2)n1,CID1488252,,,,,,0.0,,,,,,,,,,,
Cc1ncc(S(=O)(=O)c2ccccc2)c(-c2ccccc2Cl)n1,CID1488342,,,,,,,,,,,,,,0.0,,,
CN(C)c1ncc(S(=O)(=O)c2ccccc2)c(-c2ccccc2Cl)n1,CID1488194,,,,,,0.0,,,,,,,,,,,
COc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCc2ccco2)S(C)(=O)=O)cc1,CID2193611,,,,,,,,,0.0,,0.0,,,,0.0,,
COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)S(C)(=O)=O,CID1312519,0.0,,0.0,,0.0,,,,0.0,,,,,,,,
CCOc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCc2ccco2)S(C)(=O)=O)cc1,CID1314471,,,,,,,,,,,0.0,,,,0.0,,
CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)c1ccccc1F,CID1314526,,,,,,,,,,,,,,0.0,,,
CCOc1ccccc1N(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)S(C)(=O)=O,CID1319087,,,0.0,0.0,0.0,,,0.0,0.0,0.0,0.0,,0.0,,0.0,0.0,
COc1ccc(OC)c(N(CC(=O)Nc2ccccc2C(=O)NCc2ccco2)S(C)(=O)=O)c1,CID1317272,,,,,,,,,,,0.0,,,,,,
Cc1ccc(S(=O)(=O)N/N=C/c2cccs2)cc1,CID300351,,,,,,,,,,,,,,0.0,,,
C/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccc(Br)s1,CID1370932,,,,,,,,,0.0,,,,,,,,
C/C(=N\NS(=O)(=O)c1ccc(Br)cc1)c1cccs1,CID1380356,,,,,,,,,0.0,,,,,,,,
C/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccc(C)s1,CID874553,,,,,,,,,,,0.0,,,,,,
CC(=O)Nc1ccc(S(=O)(=O)N/N=C/c2ccc(C)s2)cc1,CID1229711,,,,,,,,,,,,,,0.0,,,
C/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1cccs1,CID318429,,,,,,0.0,,,,0.0,,,,,,,
O=C1NC(=O)C(=CNC2CCN(Cc3ccccc3)CC2)C(=O)N1,CID5389164,,,,0.0,,,,,,,0.0,,,,,,
CC(NC1CCN(Cc2ccccc2)CC1)=C1C(=O)N(C)C(=O)N(C)C1=O,CID5389642,,0.0,,,,,0.0,,,,,,0.0,,,,
CCCCCCN1C(=O)NC(=O)/C(=C\NC2CCN(Cc3ccccc3)CC2)C1=O,CID5389135,,,,,,,,0.0,,,,,,,,,
CCC(NC1CCN(Cc2ccccc2)CC1)=C1C(=O)NC(=O)NC1=O,CID5389531,,,,,,,0.0,,,,,,,,,,
CC(NC1CCN(Cc2ccccc2)CC1)=C1C(=O)NC(=O)NC1=O,CID5389556,,,0.0,,,,,,,,,,,,,,
CN1C(=O)C(=CNC2CCN(Cc3ccccc3)CC2)C(=O)N(C)C1=O,CID5389197,,,0.0,,,,,,,,,,,,,,
CN(C)C(=O)c1ccc(NC(=O)c2cc(-n3cnnc3)ccc2Cl)cc1,CID1017683,,,,,,,,,,,,,,,0.0,,
Cc1ccc(NC(=O)c2cc(-n3cnnc3)ccc2Cl)c(C)c1,CID834482,,,,,,,,,,,,,,,0.0,,
CCN(CC)C(=O)c1ccc(NC(=O)c2cc(-n3cnnc3)ccc2Cl)cc1,CID1242037,0.0,0.0,,0.0,,,0.0,,,,,0.0,0.0,,,,
Cc1ccc(NC(=O)c2cc(-n3cnnc3)ccc2Cl)cc1,CID834481,,,,,,,,,,0.0,,,,,,,
CC(=O)c1cccc(NC(=O)c2cc(-n3cnnc3)ccc2Cl)c1,CID1264964,0.0,,0.0,0.0,,,,,,,,,,,,0.0,
COc1cc(NC(=O)c2cc(-n3cnnc3)ccc2Cl)cc(OC)c1,CID1017705,0.0,,,,,,0.0,,,,,,,,,0.0,0.0
CC(C)(C)C(=O)Nc1nc(-c2ccccc2)ns1,CID4182197,,,,,,,,,,,,,,,0.0,,
NC(=O)CSc1nc(-c2ccccc2Cl)ns1,CID3239760,0.0,,,,,,,,0.0,,0.0,,,,,,
CCC(=O)Nc1nc(-c2ccccc2)ns1,CID852345,,,,,,,,,,,0.0,,,,0.0,,
CCOC(=O)CSc1nc(-c2ccc(OC)cc2)ns1,CID3235844,,0.0,,,,,0.0,,,0.0,,,,,,,
COCC(=O)Nc1nc(-c2ccccc2)ns1,CID972468,,0.0,,0.0,,,0.0,0.0,,,,,,,,0.0,
CCOC(=O)CNC(=O)CSc1nc(-c2cccc(C)c2)ns1,CID5183345,,,,,,,,,,,,,,,0.0,,
CN1CCN(c2ccc(C(=O)c3ccc(Br)cc3)cc2[N+](=O)[O-])CC1,CID2926474,,,,,,,,,,,,,,,0.0,,
O=C(O)CCC(=O)N1CCN(c2ccc(C(=O)c3ccc(F)cc3)cc2)CC1,CID1259261,,,,,,,,0.0,,,,,0.0,,,,
CN1CCN(c2ccc(C(=O)c3ccc(F)cc3)cc2)CC1,CID723654,,,,,,,,,,0.0,,,,,,,
CCOC(=O)N1CCN(c2ccc(C(=O)c3ccccc3)cc2F)CC1,CID544900,,,0.0,,,0.0,,,,,,0.0,0.0,,,,
CCCC(=O)N1CCN(c2ccc(C(=O)c3ccc(OC)c(Br)c3)cc2F)CC1,CID2877673,0.0,,,,,,,,,,0.0,,,,,,0.0
O=C(c1ccccc1)c1ccc(N2CCNCC2)cc1,CID1519739,,0.0,,,,,,,,,,,,,,,
COc1ccc(-c2noc(CN3CCCCC3)n2)cc1OC,CID2980841,,,,,,,,,,,0.0,0.0,,,,,
Cc1ccc(-c2noc(CN3CCCCC3)n2)cc1,CID752361,,,,,,,,,,,0.0,,,,,,
Cc1ccc(-c2noc(CN3CCC(C(N)=O)CC3)n2)cc1,CID648164,,0.0,,0.0,,,0.0,0.0,,,0.0,,,,0.0,,0.0
NC(=O)C1CCN(Cc2nc(-c3ccccc3)no2)CC1,CID662946,,0.0,,0.0,,,0.0,,,,,,,,,0.0,
Cc1ccc(-c2noc(CN3C(C)CCCC3C)n2)cc1,CID2943663,,,,,,,0.0,,,,,,,,,0.0,
CCOC(=O)C1CCN(Cc2nc(-c3ccc(OC)c(OC)c3)no2)CC1,CID2980944,,,0.0,,,,,0.0,0.0,,,,0.0,,,0.0,
O=C(CCn1cnc2ccccc2c1=O)Nc1cccc(Cl)c1,CID800354,0.0,0.0,,0.0,,,,,,0.0,,,,,,0.0,
O=C(CCn1cnc2ccccc2c1=O)Nc1ccc(Cl)c(Cl)c1,CID2203181,,,,,,,,,0.0,,,,,,,,
Cc1ccc(NC(=O)CCn2cnc3ccccc3c2=O)c(C)c1,CID975079,,,,,,,,,,,,,,0.0,,,
COc1ccc(Cl)cc1NC(=O)CCn1cnc2ccccc2c1=O,CID1085003,0.0,0.0,,0.0,,,0.0,0.0,,0.0,0.0,,,,,0.0,0.0
Cc1ccc(NC(=O)CCn2cnc3ccccc3c2=O)cc1,CID800641,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC(=O)CCn2cnc3ccccc3c2=O)cc1Cl,CID1259864,0.0,0.0,0.0,0.0,,,0.0,,,,,,,,,,0.0
CCCCCc1nnc(NC(=O)C2CCCO2)s1,CID2957464,,0.0,,0.0,,,,,,0.0,0.0,,,,,,
CCCC(C)c1nnc(NC(=O)C2CCCO2)s1,CID2963303,,,,0.0,,,,,,,,,,,,,
COCCSc1nnc(NC(=O)C2CCCO2)s1,CID2963307,,0.0,,0.0,0.0,,,,,0.0,,,,,,,
CCCc1nnc(NC(=O)C2CCCO2)s1,CID649144,,,,0.0,,,,,,0.0,,,,,,,
CCCCc1nnc(NC(=O)C2CCCO2)s1,CID2976147,,0.0,,,,,,,,0.0,0.0,0.0,0.0,,,,
Cc1nnc(NC(=O)C2CCCO2)s1,CID650823,,,,,,,,,,0.0,,,0.0,,,,
CCC(=O)Nc1ccc2nc(C)n(CC(=O)Nc3ccccc3)c(=O)c2c1,CID644907,,0.0,,,,,,,,,,,0.0,,,0.0,
Cc1cccc(NC(=O)Cn2cnc3ccccc3c2=O)c1C,CID852113,,,,,,,,,0.0,,0.0,,,,,,
CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1,CID2202357,0.0,,,0.0,,,0.0,0.0,0.0,,0.0,,,,,0.0,0.0
COC(=O)c1cccc(NC(=O)Cn2cnc3ccccc3c2=O)c1,CID2676383,,,0.0,0.0,,,,0.0,0.0,,,,0.0,,,0.0,
Cc1cc(NC(=O)Cn2c(C)nc3ccccc3c2=O)ccc1Br,CID2608748,,,,,,,,,0.0,,,0.0,,,,,
COC(=O)c1ccc(C)c(NC(=O)Cn2cnc3ccccc3c2=O)c1,CID2673184,,,,,,,0.0,,0.0,,0.0,,,,,,
CC1(C)C2([N+](=O)[O-])CNCC1([N+](=O)[O-])CNC2,CID534771,,,,,,,,,,,,0.0,,,,,
CC(=O)N1CC2(C)CN(C(C)=O)CC(C)(C1)C2,CID592389,,0.0,,,,,,,,,,0.0,0.0,,0.0,,
CCC(=O)N1CC2(C)CN(C(=O)CC)CC(C)(C1)C2,CID653818,,,,,,,,,,0.0,,,,,,,
CC(=O)N1CC2(C)CN(C(C)=O)CC(C)(C1)C2O,CID738906,,,,,,,,0.0,,,,,0.0,,,,
CC12CNCC(C)(CNC1)C2O,CID869035,,,,0.0,,,0.0,,,,,,,,,,
CC(C)(C)N1CC2([N+](=O)[O-])CN(C(C)(C)C)CC([N+](=O)[O-])(C1)C2,CID1897227,,,,,,0.0,,,,,,,,,,,
CC(=O)Nc1cccc(OC(=O)N2CCOCC2)c1,CID1258635,,,,0.0,,,,,,,,,,,,,
COc1cccc(OC(=O)N2CCOCC2)c1,CID735634,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)cc(OC(=O)N2CCOCC2)c1,CID2980718,,,,,,,,,0.0,0.0,,,,,,,
Cc1cccc(OC(=O)N2CCOCC2)c1,CID728837,,,0.0,0.0,,0.0,,,0.0,,,,,,,0.0,
Cc1ccc(OC(=O)N2CCOCC2)cc1,CID735621,,,,,,0.0,,,0.0,,,,,0.0,,,
Cc1cc(OC(=O)N2CCOCC2)cc(C)c1Cl,CID977157,,,,,,,0.0,,,0.0,,,,0.0,,0.0,0.0
CCc1c(C)[nH]c(SCC(=O)N2C(C)CCCC2C)nc1=O,CID3193180,,,,,,,,,,,,,,0.0,,,
CCn1c(O)cc(=O)nc1SCC(=O)N1CCCCC1,CID921619,,,,,,,,,,,,0.0,,,,,
C=CCn1c(O)cc(=O)nc1SCC(=O)N1CCCCC1,CID757051,,,,,,,,,0.0,0.0,,,,,,,
CC1CC(C)CN(C(=O)CSc2nc(=O)cc(N)[nH]2)C1,CID3984934,,,,,,,,,,,,,,,0.0,,
CCCc1cc(=O)nc(SCC(=O)N2CCC(C(=O)OCC)CC2)[nH]1,CID2998085,,,,,,,0.0,,,,,,,,,0.0,0.0
Cc1cc(=O)nc(SCC(=O)N2CCC(C(N)=O)CC2)[nH]1,CID893755,,,,,,,,0.0,,,,,0.0,,,,
Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc3nsnc23)c1,CID711921,,,,,,0.0,,,,,,,,,,,
CCc1ccc(OCC(=O)Nc2cccc3nsnc23)cc1,CID711920,,,,,,,,,,,,,,,0.0,,
Cc1cccc(OCC(=O)Nc2cccc3nsnc23)c1,CID9551020,,,,,,0.0,,,0.0,,,,,,,,
Cc1ccccc1OCC(=O)Nc1cccc2nsnc12,CID711915,,,,,,,,,,0.0,,0.0,,,,,
O=C(COc1ccccc1)Nc1cccc2nsnc12,CID711914,0.0,0.0,,0.0,0.0,,,,,0.0,0.0,,0.0,,,0.0,0.0
Cc1ccc(OCC(=O)Nc2cccc3nsnc23)c(C)c1,CID711919,,,,,,0.0,,,,0.0,0.0,0.0,,,,,
NC(=O)c1ccc([N+](=O)[O-])cc1SCc1ccccc1,CID4417116,,,,,,,,,,,,0.0,,,,,
CCNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1,CID757805,,,,,,,,,,,,,,0.0,,,
O=[N+]([O-])c1cc(/C=N/O)ccc1SCc1ccccc1Cl,CID2766498,,,,,,0.0,,,,,,,,,,,
O=[N+]([O-])c1cc(/C=N/O)ccc1SCc1ccccc1,CID1482349,,,,,,,,,,,,,,,0.0,,
CNC(=O)C(Sc1ccccc1)c1ccccc1,CID2889858,,,,,0.0,,0.0,0.0,,,,,0.0,,,,
O=C(O)c1ccc(SC(C(=O)O)c2ccccc2)cc1,CID2876441,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(OCc2ccc(C(=O)Nc3cccc(C)n3)o2)cc1,CID2165954,0.0,,0.0,0.0,,,0.0,,0.0,0.0,,,0.0,0.0,,,
Cc1ccnc(NC(=O)c2ccc(COc3ccc(Cl)cc3)o2)c1,CID725940,,,,,,,,,,0.0,,,,0.0,,,
CCOc1ccc(OCc2ccc(C(=O)Nc3ccc(Cl)cn3)o2)cc1,CID1223030,,,,0.0,,,,,,0.0,,,,0.0,,0.0,
COc1ccccc1OCc1ccc(C(=O)Nc2ccc(Cl)cn2)o1,CID1084336,,,,,,,,,,,,,,0.0,,,
O=C(Nc1ccccn1)c1ccc(COc2ccccc2Cl)o1,CID1225502,,,,,,,,,,0.0,0.0,,,0.0,,,
Cc1cccc(NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)n1,CID1269620,,,,,,,,,,,,,,0.0,,,
COc1ccccc1CNC(=O)NC(Cc1ccccc1)C(=O)O,CID664204,0.0,,,0.0,,,0.0,,0.0,,0.0,0.0,,,,,0.0
COC(=O)C(Cc1ccccc1)NC(=O)NCc1ccccc1OC,CID2012561,,,,,,,,,0.0,,,,,0.0,,,
COC(=O)C(Cc1ccccc1)NC(=O)NCc1ccc(S(N)(=O)=O)cc1,CID663739,,,,,,,0.0,,,,,,,,,,
CN(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)O,CID664678,,,0.0,,0.0,,,,0.0,0.0,0.0,,,,,,0.0
O=C(NCc1ccccc1)NC(Cc1ccccc1)C(=O)O,CID663377,0.0,,0.0,0.0,,,0.0,,0.0,,,,,,,,0.0
O=C(NCc1ccc(F)cc1)NC(Cc1ccccc1)C(=O)O,CID663367,,,0.0,0.0,,,,,,0.0,,,,,,,0.0
CCN(CC)S(=O)(=O)c1ccc2nnn(OCC(=O)Nc3cccc(C#N)c3)c2c1,CID2098956,,,,0.0,,,,,0.0,,,,,,0.0,,
COc1ccc(NC(=O)COn2nnc3ccc(Cl)cc32)cc1OC,CID2695467,0.0,0.0,,0.0,,0.0,,,,,,,0.0,0.0,,,0.0
Cc1cccc(NC(=O)COn2nnc3ccc(S(C)(=O)=O)cc32)c1,CID2515073,,,,,,,,,,,,,,,0.0,,
CCOc1ccccc1NC(=O)COn1nnc2ccc(Cl)cc21,CID2115266,,,,,,0.0,,,,,,,,,0.0,,
Cc1ccc(NC(=O)COn2nnc3ccc(S(=O)(=O)N(C)C)cc32)cc1F,CID2567175,,,,,,,,,,0.0,,,,,,,
CCOc1ccccc1NC(=O)COn1nnc2ccccc21,CID2535523,,,,,,,,,0.0,0.0,,,,0.0,0.0,,
Cc1cc(N2CCOCC2)ccc1/C=C1/SC(=O)NC1=O,CID1309596,,,,,,,,,,,,,,0.0,,,
C#CCN1C(=O)S/C(=C\c2ccc(N3CCOCC3)cc2C)C1=O,CID1303838,,,,,,,,,,,,,,0.0,,,
CCCN1C(=O)S/C(=C\c2ccc(N3CCOCC3)cc2C)C1=O,CID1771251,,,,,,,,,,,,,,0.0,,,
Cc1cc(N2CCOCC2)ccc1/C=C1\SC(=O)N(C(C)C)C1=O,CID1210019,,,,,,0.0,,,,,,0.0,,,,,
CCN1C(=O)S/C(=C\c2ccc(N3CCOCC3)cc2C)C1=O,CID1771029,,,,,,0.0,,,,,,,,0.0,,,
C=CCN1C(=O)S/C(=C\c2ccc(N3CCOCC3)cc2C)C1=O,CID1210145,,,,,,,,,,,,,,0.0,,,
O=C(Nc1ccccc1Cl)N1CCN(c2ccccn2)CC1,CID752316,0.0,,,0.0,,0.0,,,,,,,,,,,
CCOC(=O)c1ccc(NC(=O)N2CCN(c3ccccn3)CC2)cc1,CID1296067,0.0,,,,,,,0.0,,0.0,0.0,0.0,0.0,,,,
COc1cccc(NC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1,CID3245073,0.0,,,,0.0,,0.0,,,,,,,,,0.0,
Cc1ccc(N(C)C(=O)N2CCN(c3ccccn3)CC2)cc1,CID976952,,0.0,,,,,,,,,,,,,,,
COc1ccccc1NC(=O)N1CCN(c2ccccn2)CC1,CID762653,0.0,,0.0,,,,,0.0,,,,,,,,,
CN(C(=O)N1CCN(c2ccccn2)CC1)c1ccccc1,CID969696,,,,,,,,,,,,0.0,,,,,
COc1nccc(Nc2ccccc2)c1C#N,CID657577,,,,,,,,0.0,,,,0.0,,,,,
COc1ccccc1Nc1ccncc1[N+](=O)[O-],CID4264208,,,,,,,,,,,,,,,0.0,,
O=[N+]([O-])c1cnccc1Nc1ccccc1,CID612005,,,,,,,,,0.0,,,,,0.0,,,
CCOC(=O)c1c(Nc2ccccc2N)cc(C)nc1C,CID766509,,,,,,,,,,0.0,0.0,0.0,,,,0.0,
CSc1nccc(Nc2ccccc2)c1C#N,CID660416,,,0.0,,,,,,,,,,,,,,0.0
CN(C)c1nccc(Nc2ccccc2)c1C#N,CID3245823,0.0,0.0,,,,,0.0,0.0,,,,,,,,0.0,
COc1cnc(-c2ccccn2)nc1Sc1ccc(C)cc1,CID1470825,,,,,,,,,,,,,,0.0,0.0,,
COc1cnc(-c2ccccn2)nc1Sc1ccc(Cl)cc1,CID1487214,,,,,,,,,,,,,,,0.0,,
COc1ccccc1Sc1nc(-c2ccccn2)ncc1OC,CID1470741,,,,,,,,,,,,,,0.0,,,
COc1cnc(-c2ccccn2)nc1Sc1cccc(Cl)c1,CID3740241,,,,,,0.0,,,,,,,,,,,
COc1cnc(-c2ccccn2)nc1Sc1ccccc1,CID1487222,,,,,,,,,,,,,,,0.0,,
COc1ccc(Sc2nc(-c3ccccn3)ncc2OC)cc1,CID1487220,,,,,,,,,,,,,,0.0,,,
c1ccc(CNc2ncnc3nc[nH]c23)cc1,CID62389,,,,,,,,,,,,0.0,,0.0,,,
COc1ccccc1CNc1ncnc2nc[nH]c12,CID756722,,0.0,,,,,0.0,0.0,0.0,,,,0.0,0.0,0.0,,
CC(Nc1ncnc2nc[nH]c12)c1ccccc1,CID124293,,,,0.0,,,,0.0,,,,,,,,,
Clc1ccccc1CNc1ncnc2nc[nH]c12,CID2155052,0.0,0.0,,,,,,,,,,,,,,,
CCOc1cc(CNc2ncnc3nc[nH]c23)ccc1OC,CID2155096,,0.0,,,,,0.0,,,,,,,,,,
CCCCN(Cc1ccccc1)c1ncnc2nc[nH]c12,CID2155060,,,,,,,,0.0,,,,,,,,,
O=C1OC(Nc2ccc(Br)cn2)c2ccccc21,CID661459,0.0,,,,,,0.0,,0.0,,0.0,,,,,0.0,0.0
O=C1OC(Nc2ccccn2)c2ccccc21,CID3152834,,,,,,0.0,,,,,,,,,,,
O=C1OC(Nc2ccc(Cl)cn2)c2ccccc21,CID3152835,,,,,,,,,,0.0,,,,,,,
Cc1ccnc(NC2OC(=O)c3ccccc32)c1,CID3152837,,,,,,,,,,0.0,,,,,,,
COc1ccc2c(c1OC)C(=O)OC2Nc1ccccn1,CID3133599,,,0.0,,,,,,,,,,0.0,,0.0,0.0,
COc1ccc2c(c1OC)C(=O)OC2Nc1ncccc1C,CID2878814,,,,,,0.0,,,,0.0,0.0,0.0,,,,,
Cc1cccnc1NC(=O)Cn1nc([N+](=O)[O-])cc1C,CID1257542,,,,,,,,,,,,,,,0.0,,
Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1ccc(Cl)cn1,CID1259262,,,,,,,,,,,,,,,0.0,,
Cc1nn(CC(=O)Nc2ccc(Cl)cn2)c(C)c1[N+](=O)[O-],CID1225832,,,,,,,,,,,,,,,0.0,,
Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1ccccn1,CID578137,,,,,,,,,,,,,,,0.0,,
Cc1cccnc1NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C,CID742456,,,,,,,,,,,,,,,0.0,,
Cc1ccnc(NC(=O)Cn2cc([N+](=O)[O-])cn2)c1,CID1504355,,,,,,,,,,,,,,,0.0,,
CCOC(=O)CSc1nnc(CNC(=O)c2cccs2)n1-c1cc(C)ccc1C,CID2159398,0.0,,0.0,0.0,0.0,0.0,0.0,,0.0,0.0,0.0,,0.0,,0.0,0.0,0.0
CCOC(=O)CSc1nnc(CNC(=O)c2cccs2)n1-c1ccccc1,CID2159395,0.0,0.0,0.0,,0.0,0.0,0.0,,0.0,0.0,0.0,,0.0,,,0.0,0.0
CCOC(=O)CSc1nnc(CNC(=O)c2cccs2)n1-c1cccc(C)c1,CID2159397,0.0,0.0,0.0,0.0,0.0,,0.0,,0.0,0.0,,,0.0,,0.0,0.0,0.0
COC(=O)CSc1nnc(CNC(=O)c2cccs2)n1-c1cccc(C)c1,CID2159396,0.0,,0.0,0.0,0.0,0.0,,,0.0,0.0,0.0,,0.0,,,0.0,0.0
CCOC(=O)CSc1nnc(CNC(=O)c2cccs2)n1-c1cc(OC)ccc1OC,CID2159401,,,,,0.0,,,,,,0.0,,,,,0.0,0.0
COC(=O)CSc1nnc(CNC(=O)c2cccs2)n1-c1cc(OC)ccc1OC,CID2159400,,,,,0.0,0.0,,,0.0,,0.0,,,,,0.0,0.0
COC(=O)c1sc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(C#N)c1C,CID1009439,,,,,,0.0,,,,,,,,0.0,,,
CCOC(=O)c1sc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(C#N)c1C,CID1009130,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C)c(-c2cc(C(=O)Nc3sc(C)c(C)c3C(N)=O)c3ccccc3n2)c1,CID1257041,,,,,,0.0,,,,,,,,,,,
Cc1sc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)c(C(N)=O)c1C,CID1220736,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1sc(NC(=O)c2cc(-c3ccccc3C)nc3ccccc23)c(C#N)c1C,CID1222047,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1sc(NC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)c(C#N)c1C,CID1220055,,,,,,0.0,,,,,,,,,,,
COc1cccc(C2=N/C(=C\N(C)C)C(=O)O2)c1,CID878739,,,,0.0,,,,,,0.0,,0.0,,,,0.0,
CCO/C(C)=C1\N=C(c2ccc(Cl)cc2)OC1=O,CID901743,,,,,,,,,,,,,,0.0,,,
CN/C=C1\N=C(c2ccccc2)OC1=O,CID5566232,,,,,,,,,,0.0,0.0,0.0,,,,,
CN(C)/C=C1\N=C(c2ccc(Cl)cc2Cl)OC1=O,CID658744,0.0,,,,,,,,,,,,,,,,
Cc1ccc(C2=N/C(=C\N(C)C)C(=O)O2)cc1,CID2380062,,,,,,,,,,,,0.0,,,,,
CN(C)/C=C1/N=C(c2ccccc2)OC1=O,CID704134,,,,,,,,,,0.0,,0.0,,,,,
Oc1c(C(c2ccc(F)cc2)N2CCc3ccccc3C2)sc2ncnn12,CID5310397,,,,0.0,,,,0.0,,,,,,,,,
COc1cccc(C(c2sc3ncnn3c2O)N2CCc3ccccc3C2)c1,CID4249848,0.0,,,,,,,,,,0.0,,,,0.0,0.0,
COc1cccc(C(c2sc3nc(C)nn3c2O)N2CCc3ccccc3C2)c1,CID4298832,0.0,,,,,,0.0,,,,,,,,,,
COc1ccc(C(c2sc3nc(C)nn3c2O)N2CCc3ccccc3C2)cc1,CID4113163,0.0,,0.0,,,,,,,,,,,,,,
Oc1c(C(c2ccccc2)N2CCc3ccccc3C2)sc2ncnn12,CID3438022,0.0,,,0.0,,,,,,,,,,,,0.0,
COc1cc(C(c2sc3nc(C)nn3c2O)N2CCc3ccccc3C2)cc(OC)c1OC,CID3644274,0.0,,,0.0,0.0,,,,,,,,,,,,
CCn1c(NCCc2ccc(OC)c(OC)c2)nc2c1c(=O)n(C)c(=O)n2C,CID663407,0.0,,,,,,0.0,,,,,,0.0,,,,
C=CCn1c(NCCc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C,CID659506,,0.0,0.0,0.0,,,0.0,,,,,,,,,,
CC(C)n1c(NCCc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C,CID830029,,,,,,,,,,,,0.0,,,,,
CCOc1ccc(CCNc2nc3c(c(=O)n(C)c(=O)n3C)n2CC)cc1OCC,CID664212,0.0,,0.0,0.0,,,,,,,,,0.0,,,,
CC(C)CCn1c(NCCc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C,CID988004,,,0.0,,,,,,,,0.0,,0.0,,,,
COc1ccc(CCNc2nc3c(c(=O)n(C)c(=O)n3C)n2C)cc1OC,CID659538,,0.0,,,,,0.0,0.0,,,0.0,,,,,,0.0
NC1=C(c2nc3ccccc3s2)C(=O)CN1c1ccccc1,CID725146,,,,,,,,,,,,,,,0.0,,
COc1ccc(N2CC(=O)C(c3nc4ccccc4s3)=C2N)cc1,CID725152,,,,,0.0,,,,,,0.0,,,,,,
COc1ccc(OC)c(N2CC(=O)C(c3nc4ccccc4s3)=C2N)c1,CID1078211,,,,,,,,,,,,,,,0.0,,
CCOc1ccccc1N1CC(=O)C(c2nc3ccccc3s2)=C1N,CID1078210,,,,,0.0,,0.0,,,,0.0,,,,,,
COc1ccccc1N1CC(=O)C(c2nc3ccccc3s2)=C1N,CID725170,,,,0.0,0.0,,,,,,0.0,,,,,,
COc1ccc(N2CC(=O)C(c3nc4ccccc4s3)=C2N)c(OC)c1,CID1193467,,,,,0.0,,,,,,,,,,,,
CCOc1ccc(OCCSc2nnnn2-c2ccccc2)cc1,CID2772590,,,,,,,,,,,0.0,,,,,,
Fc1ccccc1OCCSc1nnnn1-c1ccccc1,CID2211396,,,,,0.0,,0.0,,,,,0.0,,,,0.0,
Cc1ccc(OCCSc2nnnn2-c2ccccc2)cc1,CID2258597,,,,,,0.0,,,,,,,,,,,
Clc1ccc(OCCSc2nnnn2-c2ccccc2)cc1,CID1714751,,,,,,0.0,,,,,,,,,,,
c1ccc(OCCSc2nnnn2-c2ccccc2)cc1,CID1594276,0.0,0.0,,,,,,0.0,,,0.0,,0.0,0.0,0.0,0.0,
COc1ccccc1OCCSc1nnnn1-c1ccc(C)cc1,CID2258798,0.0,,,,0.0,,0.0,,,,0.0,,0.0,0.0,,,
CCCc1ncc(C(O)c2cccc(OC)c2OC)n1C,CID2849864,0.0,0.0,,,,0.0,,,,,,0.0,,,,,0.0
CCCc1ncc(C(O)c2ccc(OC)cc2)n1C,CID2858286,0.0,,,0.0,,,,,,,,,,,,0.0,0.0
COc1cccc(C(O)c2cnc(C(C)C)n2C)c1OC,CID2997760,,,,,,,0.0,,,0.0,0.0,,,,,,
CCc1ncc(C(O)c2cccc(OC)c2OC)n1C,CID2851988,,,,0.0,,,0.0,,,,,,,,,,0.0
CC(C)c1ccc(C(O)c2cnc(C(C)C)n2C)cc1,CID2891022,0.0,,0.0,,,,,0.0,,0.0,,,,,,0.0,
CCCc1ncc(C(O)c2ccccc2OC)n1C,CID2881241,,,,,,,,,,,,,,,0.0,,
Cc1c(Cl)cccc1NC(=O)C1=C/C(=C2/C=CC=CC2=O)NN1,CID6097737,,,,,,,,,,,0.0,,,,,,
CC1=CC(=O)/C(=C2/C=C(C(=O)Nc3cc(C)ccc3C)NN2)C=C1,CID5390026,,,,,,,,0.0,,,,,,,0.0,,
COc1ccc(Cl)cc1NC(=O)C1=C/C(=C2/C=CC=CC2=O)NN1,CID6097848,,,,,,,,,,,,,,,0.0,,
COc1ccc(OC)c(NC(=O)C2=C/C(=C3/C=C(Cl)C=CC3=O)NN2)c1,CID5390034,,0.0,,0.0,,,,,,,0.0,,,,0.0,,
COc1ccc(NC(=O)C2=C/C(=C3/C=C(C)C=C(C)C3=O)NN2)cc1Cl,CID5390094,,,0.0,,,,,,,,,,,,,,
COc1ccc(NC(=O)C2=C/C(=C3/C=C(C)C=CC3=O)NN2)cc1Cl,CID5390085,,,0.0,,,,0.0,,,,,,0.0,0.0,,,
Cc1ccc(C(=O)Nc2nncs2)cc1S(=O)(=O)N1CCOCC1,CID649841,,0.0,,,0.0,,,,,,,,0.0,,,0.0,0.0
Cc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)s1,CID1117933,,,,,,,,,,,0.0,,,,,,
C=CCSc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)s1,CID2130721,,,,,0.0,,,,,,,,,,,,
CSc1nnc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)s1,CID2142259,,,,,0.0,,,,0.0,,0.0,,0.0,,,0.0,
O=C(Nc1nncs1)c1cccc(S(=O)(=O)N2CCOCC2)c1,CID1101797,,,,,,,,,,,0.0,0.0,,,,,
Cc1nnc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)s1,CID1087782,,,,,,,,,,0.0,,,,,,,
C=CCn1c(COc2cccc3ccc(C)nc23)nnc1SCC(=O)O,CID1179334,,,,,,,,0.0,0.0,0.0,,,,,,0.0,0.0
C=CCn1c(COc2cccc3cccnc23)nnc1SCC(=O)OC,CID1051370,,0.0,,,,,0.0,,0.0,,,,,,0.0,0.0,
C=CCn1c(COc2cccc3ccc(C)nc23)nnc1SCC(=O)OC,CID1290941,,,,0.0,,0.0,0.0,0.0,0.0,0.0,0.0,,,,,0.0,
CCn1c(COc2cccc3cccnc23)nnc1SCC(=O)O,CID864116,,,,0.0,,,0.0,,0.0,,,,,,,0.0,0.0
C=CCn1c(COc2cccc3ccc(C)nc23)nnc1SCC(N)=O,CID1291590,,0.0,0.0,,,,,0.0,,0.0,,0.0,0.0,,,,
C=CCn1c(COc2cccc3cccnc23)nnc1SCC(=O)O,CID1256853,,,,0.0,,,,,,,,,0.0,,,,0.0
Cc1ccc2cc3c(NC(=O)c4ccco4)nn(C)c3nc2c1,CID665390,,,,,,,,,0.0,,,0.0,,,0.0,,
CCn1nc(NC(=O)c2ccco2)c2cc3ccccc3nc21,CID663294,,0.0,,,,,,0.0,0.0,,0.0,0.0,,,0.0,,
CCCn1nc(NC(=O)c2ccco2)c2cc3ccc(C)cc3nc21,CID664180,,,0.0,,,,,0.0,,,,,,,,0.0,
CCn1nc(NC(=O)c2ccco2)c2cc3ccc(C)cc3nc21,CID664852,,0.0,0.0,,,,,,,,,0.0,,0.0,0.0,,
Cc1ccc2cc3c(NC(=O)c4ccco4)nn(CC(C)C)c3nc2c1,CID664263,,0.0,0.0,,,,,,,,,0.0,0.0,0.0,,,
CCCn1nc(NC(=O)c2ccco2)c2cc3ccccc3nc21,CID944687,,,,,,,,,,,,,,0.0,0.0,,
Cc1cc(CC(C)C)n(-c2nc3ccccc3c(=O)n2OCC(N)=O)n1,CID665395,,0.0,,0.0,,0.0,0.0,,,,0.0,,,,,,
CCCOn1c(-n2nc(C)cc2C)nc2ccccc2c1=O,CID1835432,,,,,,,,,,,,0.0,,0.0,,,
Cc1cc(C)n(-c2nc3ccccc3c(=O)n2OCC(N)=O)n1,CID3750683,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)n(-c2nc3ccccc3c(=O)n2OCC(=O)N(C)C)n1,CID665533,,0.0,0.0,0.0,,,,,,,,,,,,0.0,
COn1c(-n2nc(C)cc2C)nc2ccccc2c1=O,CID665624,,0.0,0.0,,,,,,0.0,,0.0,0.0,,,,,
Cc1cc(CC(C)C)n(-c2nc3ccccc3c(=O)n2OCC(=O)N(C)C)n1,CID665511,,,,,,,,,,,,,0.0,,,,
Cc1cc(C)nc(N2C(=O)CC(C(C)c3ccccc3)C2=O)n1,CID2955049,,0.0,,,,,,,,,,,0.0,,,,0.0
Cc1cc(C)nc(N2C(=O)CC(Cc3ccccc3)C2=O)n1,CID2956118,,,,,,,,0.0,,,,,,,,,
Cc1cc(C)nc(N2C(=O)CC(Cc3ccc(Cl)cc3)C2=O)n1,CID3157158,,,,,,,,,,,,,,,0.0,,
Cc1cccc(CC2CC(=O)N(c3ncccn3)C2=O)c1,CID2976157,,,0.0,,,,,0.0,,,,,,,,,0.0
Cc1ccc(CC2C(=O)N(c3ncccn3)C(=O)C2C)cc1,CID2937221,,,,,,0.0,,,,,,,,,,,
Cc1cc(C)cc(CC2CC(=O)N(c3nc(C)cc(C)n3)C2=O)c1,CID644997,,0.0,,,,,,0.0,,,,0.0,0.0,,,,0.0
COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1,CID1090685,,,,0.0,0.0,,,,,,,,,,,,0.0
CCCCC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1,CID2957591,,,,,0.0,,,0.0,,,,,0.0,,,,0.0
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c(OC)c1,CID1077805,,,,,,,,,,0.0,0.0,,,,,,
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1,CID1349637,,,,,,0.0,,,,,,,,,,,
CC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1,CID1077813,,,,0.0,0.0,,,0.0,0.0,,,,,,0.0,0.0,0.0
COc1cc(SC)ccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1,CID1077849,,,0.0,,0.0,,0.0,,0.0,,0.0,,,,,,
CC(C)OC(=O)CSc1nnc(CNc2cccc(Cl)c2)n1C,CID1164251,,,,,,,,,,,0.0,0.0,,,0.0,,
CCn1c(CNc2ccc(C)cc2)nnc1SCC(N)=O,CID865845,,,,,,,,,,0.0,,,,0.0,,,
COC(=O)CSc1nnc(CNc2ccc(OC)cc2)n1C,CID655089,,0.0,,0.0,,0.0,,,0.0,,0.0,,,,,,
CCn1c(CNc2ccc(F)cc2)nnc1SCC#N,CID3167831,,,,,,,,,,,,,,,0.0,,
CCOC(=O)CSc1nnc(CNc2cccc(Cl)c2)n1C,CID865521,,,,,,,,,,,,0.0,,,0.0,,
CC(C)OC(=O)CSc1nnc(CNc2ccc(Cl)cc2)n1C,CID1082142,,,,,,,,,,,,,,,0.0,,
COc1cc2c(cc1OC)C(c1cc(OC)c(OC)c(OC)c1)NCC2,CID2825094,,,,,,,,,,,,,,,,0.0,
COc1cc2c(cc1OC)C(c1cc([N+](=O)[O-])ccc1O)NCC2,CID3091754,,,,,,,,,,,,,,,0.0,,
COc1ccc(C2NCCc3cc(OC)c(OC)cc32)cc1OC,CID429442,,,,,,,,0.0,,0.0,,,,,,,
CCOc1cc2c(cc1OCC)C(c1cc(OC)c(O)c(OC)c1)NCC2,CID3236626,,,0.0,,0.0,,,,,,0.0,,,,,,
COc1ccc(OC(C)=O)c(C2c3cc(OC)c(OC)cc3CCN2C(C)=O)c1,CID2857917,,,0.0,,,,0.0,,,,,,,,,,
CCOc1cc2c(cc1OCC)C(c1ccc(O)c(OC)c1)NCC2,CID3403165,,,,,0.0,,,,,,0.0,,,,,,
CCN(Cc1ccccc1)C(=O)COC(=O)c1cnc(C)cn1,CID2344671,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccc(CNC(=O)COC(=O)c2cnccn2)cc1,CID2430490,,,,,,0.0,,,0.0,,,,,,,,
COc1ccc(CNC(=O)COC(=O)c2cnccn2)cc1,CID2346513,,,,,,,,,0.0,0.0,0.0,,,,,,
COc1ccccc1CNC(=O)COC(=O)c1cnccn1,CID2352910,,,,,,,,,0.0,,0.0,,,,,,
Cc1cnc(C(=O)OCC(=O)NCc2ccccc2)cn1,CID2338042,,,,,,,,,0.0,,,,,,,,
Cc1cnc(C(=O)OCC(=O)N(Cc2ccccc2)C(C)C)cn1,CID2365500,,,,,,,,,,,,,,0.0,,,
COc1ccc(CNC(=O)c2ccc(=O)oc2)cc1OC,CID665841,,,,,0.0,,0.0,,,,,,,,,,
Cc1cc(=O)oc(C)c1C(=O)NCc1c(F)cc(F)cc1F,CID3244136,,,,,,,,,,,,0.0,,,,,
Cc1cc(=O)oc(C)c1C(=O)NCc1ccc(F)cc1,CID3243530,,0.0,,,,,,0.0,,,,,,,,,
Cc1cc(=O)oc(C)c1C(=O)NCc1ccccc1,CID757690,,,,,,,,,0.0,,,,,,0.0,,
COc1ccc(CNC(=O)c2c(C)cc(=O)oc2C)cc1OC,CID659169,,,,,,,0.0,0.0,,0.0,,,,,,0.0,
CC(NC(=O)c1ccc(=O)oc1)c1ccccc1,CID660747,,,0.0,0.0,,,0.0,,0.0,0.0,,,,0.0,,,0.0
CC(=O)c1cccc(NC(=O)CSc2nnc(-c3cccnc3)o2)c1,CID3135483,,,,,,,,,0.0,,,,,,,,
CCOC(=O)c1cc(-c2nnc(SCC(=O)Nc3ccc(F)cc3)o2)c(C)nc1C,CID2374960,0.0,,,,,,0.0,0.0,,0.0,,,0.0,,0.0,,
Cc1ccc(NC(=O)C(C)Sc2nnc(-c3cccnc3)o2)cc1,CID653158,0.0,,,0.0,0.0,,0.0,0.0,,,,,,,,0.0,0.0
O=C(CSc1nnc(-c2cccnc2)o1)Nc1ccc(Cl)cc1,CID856144,,,,,,,,,,,,,,,0.0,,
COc1ccc(NC(=O)CSc2nnc(-c3cccnc3)o2)cc1,CID758304,,,,,,,,,0.0,,0.0,,,,,,
CCOc1ccc(OCC)c(NC(=O)CSc2nnc(-c3cccnc3)o2)c1,CID649342,,,0.0,,0.0,,,,,,0.0,,0.0,,,0.0,0.0
CCOc1ccccc1NC(=O)CSc1nnc(-c2ccco2)o1,CID565713,0.0,0.0,,,0.0,,,,,,,,0.0,0.0,,0.0,
Cc1cccc(NC(=O)CSc2nnc(-c3ccco3)o2)c1,CID865353,,,,,,,,,,,0.0,,,,,,
Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccco3)o2)c1,CID865354,,0.0,,,0.0,,0.0,,0.0,,0.0,,,0.0,,,
Cc1cccc(NC(=O)CSc2nnc(-c3ccco3)o2)c1C,CID650110,0.0,0.0,,,0.0,,,,,,,,0.0,,0.0,,
COc1ccccc1NC(=O)CSc1nnc(-c2ccco2)o1,CID662507,0.0,0.0,0.0,0.0,0.0,,,0.0,,,0.0,,0.0,,,0.0,
CC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3ccco3)o2)cc1,CID1160633,,,,,,,,,,,,,,0.0,0.0,,
Cc1cc(C)cc(-n2nnc(C(=O)NCc3ccccc3Cl)c2N)c1,CID3238913,0.0,,0.0,,,,,,,,,,,,,0.0,
Cc1ccc(CNC(=O)c2nnn(-c3cccc(C)c3)c2N)cc1,CID3244312,0.0,,,,,,0.0,0.0,,,,,,0.0,,0.0,0.0
Cc1cc(C)cc(-n2nnc(C(=O)NCc3ccccc3)c2N)c1,CID3243685,0.0,,,,,,,,,,,,,,,0.0,
Cc1cc(C)cc(-n2nnc(C(=O)NCc3ccc(Cl)cc3)c2N)c1,CID3242016,,0.0,0.0,,,,,,,,0.0,,,,,,
COc1cccc(CNC(=O)c2nnn(-c3ccc(OC(F)(F)F)cc3)c2N)c1,CID4081975,,,,,,,,,,0.0,,,,,,,
Cc1cccc(-n2nnc(C(=O)NCc3ccccc3)c2N)c1,CID3238804,0.0,0.0,,0.0,,,,,,,,,0.0,,,0.0,
Cc1ccc(C)c2nc(N3CCCC3)c(C#N)cc12,CID648675,,,,,,,,,,,,,,,0.0,0.0,
Cc1ccc2cc(C#N)c(N3CCCC3)nc2c1C,CID645132,,,,0.0,,,0.0,,,,,,,,,0.0,
Cc1cc(C)c2cc(C#N)c(N3CCCC3)nc2c1,CID648892,,,,,,,0.0,,,0.0,,,0.0,,,0.0,
COc1ccc2nc(N3CCCC3)c(C#N)cc2c1,CID649963,,0.0,,0.0,,,,,,,,,,,0.0,0.0,
Cc1cc(C)c2nc(N3CCCC3)c(C#N)cc2c1,CID656152,,0.0,0.0,0.0,,,0.0,,,,,,,,0.0,,
Cc1cccc2cc(C#N)c(N3CCCC3)nc12,CID644564,,,,,,,,0.0,,,,,,,,0.0,
CCCN1C2CCCC1CC(NC(=O)c1cc(OC)c(OC)c(OC)c1)C2,CID648674,,,,0.0,,,,0.0,,,,,,,,,
C=CCNC(=O)CN1C2CCCC1CC(NC(=O)c1ccccc1C)C2,CID653895,,0.0,,,,,0.0,0.0,,,,,0.0,,,0.0,
CCCN1C2CCCC1CC(NC(=O)c1ccccc1)C2,CID655815,0.0,,,0.0,,,0.0,,,0.0,,,0.0,,,,
CCCN1C2CCCC1CC(NC(=O)c1ccccc1F)C2,CID644833,,,,0.0,,,,,,,,,,,,,
CCCN1C2CCCC1CC(NC(=O)c1ccccc1OCC)C2,CID654524,,,,,,,,,,,,,0.0,,,,
CCCN1C2CCCC1CC(NC(=O)c1ccc(F)cc1)C2,CID652732,,0.0,,,,,,0.0,,,,,,,,,
Cc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc(C)cc2)cc1,CID4273233,,,,,,,,,,0.0,,,,,,,
COc1ccc(S(=O)(=O)NCCC(=O)NC(C)c2ccccc2)cc1,CID3236529,,,,,0.0,0.0,,,,,,,,,,0.0,
COc1ccc(S(=O)(=O)NCCC(=O)NCc2ccccc2)cc1,CID3241843,,,,0.0,0.0,,,,0.0,,,,,,,0.0,
COc1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(F)cc2)cc1,CID3241845,,,,,,,,,,0.0,,,,,,,0.0
Cc1ccc(S(=O)(=O)NCCC(=O)NCc2ccccc2)cc1,CID3238773,,,,0.0,0.0,,,,0.0,,,,,,,0.0,
CC(=O)Nc1ccc(S(=O)(=O)NC(CC(=O)N(C)Cc2ccccc2)C(C)C)cc1,CID3239102,,,0.0,,0.0,,,,,,,,0.0,,,0.0,
CCN(CC)c1ccc2cc(-c3nnc(-c4ccccc4)o3)c(=O)oc2c1,CID397073,,,,,,,,,0.0,,0.0,0.0,,0.0,,,
O=c1oc2ccccc2cc1-c1nnc(-c2cccc(Br)c2)o1,CID651604,0.0,,,,,,,,,,0.0,,,,,0.0,
COc1ccc(-c2nnc(-c3cc4ccccc4oc3=O)o2)cc1,CID748241,,,,,,,,,0.0,,0.0,,,,,,
CCN(CC)c1ccc2cc(-c3nnc(-c4ccc(Br)cc4)o3)c(=O)oc2c1,CID3123875,,,,,,,,,0.0,,,,,,,,
CCOc1cccc2cc(-c3nnc(-c4ccccc4)o3)c(=O)oc12,CID3240802,0.0,,,,,,,,,,,,0.0,,,,
COc1cccc2cc(-c3nnc(-c4ccccc4)o3)c(=O)oc12,CID748239,,,,,,,,,,,,,,0.0,,,
COc1cccc(C(=O)CN2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c1,CID3245081,0.0,,,,,,,,,,,,,,,,
CCOc1ccc(C(=O)CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1,CID3240432,,,,,,,,,,,,,0.0,,,,
CCOc1ccc(C(=O)CN2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1,CID3244501,,,0.0,,0.0,,,,,,,,,,,,
CCOc1ccc(C(=O)CN2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1,CID3243263,0.0,,,,,,,,,,,,,,,,
COc1ccc(OC)c(C(=O)CN2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c1,CID3240969,0.0,,,,,,,,,,,,,,,,0.0
CCOc1ccc(C(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1,CID3238255,0.0,,,0.0,0.0,0.0,,,,0.0,,,,,,,0.0
CC(C)N(CCc1ccncc1)C(=O)Nc1ccc(Cl)c(Cl)c1,CID5141499,0.0,,,,,,,,,,,,,,,,
O=C(NCCc1ccncc1)Nc1ccc(Cl)cc1,CID712887,0.0,,,,,,,,,0.0,,,,,,0.0,0.0
O=C(NCCc1ccncc1)Nc1cccc(Cl)c1,CID1094865,,,,,,,,,,,,,,,0.0,,
O=C(NCCc1ccncc1)Nc1ccccc1Cl,CID894648,,0.0,,0.0,,,,,,,,,,,,0.0,0.0
O=C(NCCc1ccncc1)Nc1ccccc1,CID975495,,,,0.0,,,0.0,0.0,,,0.0,0.0,,,,,
CC(C)N(CCc1ccncc1)C(=O)Nc1ccc(F)cc1,CID3613571,,,,,,,0.0,0.0,,,,,,,,,
COc1ccc(Cc2nn3c(-c4cc(OC)c(OC)c(OC)c4)nnc3s2)cc1,CID666218,0.0,,,,,,,0.0,,,,,,,,,
COc1ccc(Cc2nn3c(-c4ccccc4OC)nnc3s2)cc1,CID667209,0.0,,0.0,,0.0,,0.0,,,,0.0,,,,,0.0,
Brc1ccccc1-c1nnc2sc(Cc3ccccc3)nn12,CID2230305,,,,,,,,,0.0,,0.0,,,,,,
COc1cc(-c2nnc3sc(Cc4ccccc4)nn23)cc(OC)c1OC,CID666496,0.0,,,,0.0,0.0,0.0,,,,,,,0.0,,,
COc1cc(-c2nnc3sc(Cc4ccc(Cl)cc4)nn23)cc(OC)c1OC,CID665884,0.0,,,0.0,,,,,,,,,0.0,,,,0.0
COc1ccc(Cc2nn3c(-c4ccccc4Br)nnc3s2)cc1,CID2228668,,,,,,,0.0,,0.0,,,,,,,,0.0
CCSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccccc1,CID3238627,,,0.0,,0.0,,,,0.0,0.0,,,0.0,,,,0.0
CCCSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccccc1,CID2227677,,,,0.0,,,,,0.0,,,,0.0,0.0,0.0,,0.0
CCSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(F)cc1,CID3236154,,,,,,,,,,0.0,,,,,,,
CSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccccc1,CID751378,,,0.0,,0.0,0.0,,,0.0,,,,,,0.0,,
CC(C)Sc1oc(-c2ccco2)nc1S(=O)(=O)c1ccccc1,CID751379,,,,,,,,,,,,,,0.0,0.0,,
CSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(Br)cc1,CID2053031,,,,,,,,,0.0,,,,,,,,
O=C(Cc1c(F)cccc1Cl)Nc1ccon1,CID1246693,,,,0.0,,,,,,,,,,,,0.0,0.0
COc1ccc(CC(=O)Nc2cc(C)on2)cc1OC,CID694865,,,,,,,,,,0.0,0.0,,,,,,
Cc1cc(NC(=O)Cc2c(F)cccc2Cl)no1,CID974105,,,0.0,0.0,,,0.0,,,0.0,,,,,,,0.0
COc1ccc(CC(=O)Nc2cc(C)on2)cc1,CID2905682,,,,,,,,,,0.0,0.0,,,,,,
CCC(C(=O)Nc1cc(C)on1)c1ccccc1,CID2862516,,,,,,0.0,,,,,,,,,,,
Cc1cc(NC(=O)Cc2ccccc2)no1,CID655050,,0.0,,,,,0.0,,,,,,0.0,,,,
CC(C)c1ccc(/C=C/C2=NNC(=O)CC2)cc1,CID1471687,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C(C)N1N=C(/C=C/c2ccc(C)cc2)CCC1=O,CID5707074,,,,,,,,,,,,,,0.0,,,
CCOC(=O)CN1N=C(/C=C/c2ccc(OCC)cc2)CCC1=O,CID1471691,,,,,,,,,,,,,,0.0,,,
CCOC(=O)CN1N=C(/C=C/c2ccc(C)cc2)CCC1=O,CID1475361,,,,,,0.0,,,,,,,,0.0,0.0,,
CCOC(=O)CN1N=C(/C=C/c2ccc(OC)cc2)CCC1=O,CID1475389,,,,,,,,,,,,,,0.0,,,
COc1ccc(/C=C/C2=NN(C)C(=O)CC2)cc1,CID1475383,,,,,,,,,,,,,,0.0,,,
CC(Oc1ccc(Cl)cc1Cl)C(=O)NCCN1CCOCC1,CID2912401,0.0,,,,,,,,,,,,,,,,
Cc1cc(OCC(=O)NCCN2CCOCC2)ccc1Br,CID1287636,,,,,,,,,,,,0.0,,,,0.0,0.0
Cc1cccc(OCC(=O)NCCN2CCOCC2)c1,CID891626,0.0,0.0,,,0.0,,,,,,0.0,0.0,,,,,
Cc1cc(C)cc(OCC(=O)NCCN2CCOCC2)c1,CID650107,0.0,0.0,,,,,,0.0,,,,0.0,0.0,0.0,,,
Cc1ccc(OCC(=O)NCCN2CCOCC2)cc1C,CID807900,,,,,,,,,,,0.0,0.0,,,,,
Cc1cc(OCC(=O)NCCN2CCOCC2)cc(C)c1Br,CID1328862,0.0,,,,,,0.0,,0.0,,,0.0,,,,0.0,
Cc1nc2scc(-c3ccco3)c2c(=O)n1/N=C/N(C)C,CID2998708,0.0,,,0.0,,,,0.0,,,0.0,,,,,0.0,0.0
C=CCn1c(SCC(=O)NCCOC)nc2scc(-c3ccco3)c2c1=O,CID2092261,0.0,,,0.0,0.0,0.0,0.0,,,0.0,0.0,,,,,,
Cc1ccc(-c2csc3ncn(/N=C/N(C)C)c(=O)c23)o1,CID3000102,0.0,,,,,,,0.0,,,,,,,,0.0,
C=CCn1c(SCC(N)=O)nc2scc(-c3ccc(C)o3)c2c1=O,CID1281395,,,,,,,,,,,,,,0.0,,,
C=CCn1c(SCC(=O)NCCCC)nc2scc(-c3ccco3)c2c1=O,CID2089751,0.0,,,,0.0,,,,,0.0,0.0,,,,0.0,,0.0
Cc1ccc(-c2csc3nc(C)n(N)c(=O)c23)o1,CID1536865,,,,,,,,,,,,0.0,,,,,
C=CCNC(=O)c1cc2c(=O)c3ccccc3oc2nc1C,CID4422681,,,,,,,,,,,,,,,0.0,,
O=c1c2ccccc2oc2ncccc12,CID659312,,,0.0,,,,0.0,,,,,,,,,,
CC(=O)c1cc2c(=O)c3ccccc3oc2nc1C,CID617281,,0.0,0.0,,,,0.0,,,,,,,,,,
Cc1nc2oc3ccc(F)cc3c(=O)c2cc1C(=O)NC(C)(C)C,CID3833807,,,,,,,,,,,,,,,0.0,,
Nc1ccc2oc3ncccc3c(=O)c2c1,CID659426,,,,,,,,0.0,,,,0.0,,,,,
CC(=O)c1cc2c(=O)c3cc(C)ccc3oc2nc1C,CID659276,,,,0.0,,,,,,,,,,,,,
CN(c1ccc(O)cc1)c1nc(-c2cccs2)cs1,CID973196,,,,,,,,,,,,,,0.0,,,
COc1ccc(OC)c(Nc2nc(-c3cccs3)cs2)c1,CID2902532,,,,,0.0,,0.0,,,,,,,0.0,,,
COc1ccc(Nc2nc(-c3cccs3)cs2)c(OC)c1,CID973116,,,,,,,,,,0.0,,,,,,,
COc1ccc(Nc2nc(-c3cccs3)cs2)cc1,CID793672,,,,,,0.0,,,,0.0,,,,0.0,,,
COc1ccccc1Nc1nc(-c2cccs2)cs1,CID785027,,,0.0,,0.0,,0.0,,,0.0,,,0.0,,,,
Cc1cc(O)ccc1Nc1nc(-c2cccs2)cs1,CID2215270,,,,,,,,,,,,,,0.0,,,
COCc1cc(C)nc(N2CCOCC2)c1C#N,CID785375,,,,,,0.0,,,,,,,,,,,0.0
O=[N+]([O-])c1cccnc1N1CCOCC1,CID2795439,,,,,,0.0,,,,,,0.0,,,,,
Cc1cc(N(C)C)c(C#N)c(N2CCOCC2)n1,CID660957,,0.0,,,,0.0,,0.0,0.0,,,0.0,,0.0,,,
CN(C)S(=O)(=O)c1ccc(N2CCOCC2)nc1,CID829845,,,,0.0,,,,,,,,,,,,,0.0
Cc1nc(N2CCOCC2)c(C#N)c(C)c1Br,CID1478058,,,,,,,,,0.0,,0.0,0.0,,,,,
Cc1cc(C)c(C#N)c(N2CCOCC2)n1,CID698057,,,,,,,,,,,,,,,0.0,,
Cc1cccc(NC(=O)CSc2nnc(C)n2Cc2ccccc2)c1,CID1151537,,,,,,,,,,0.0,0.0,,,,,,
COC(=O)c1cccc(NC(=O)CSc2nnc(C)n2Cc2ccccc2)c1,CID651945,0.0,,,0.0,,,0.0,,,,0.0,,,,,,0.0
COc1ccccc1NC(=O)CSc1nnc(C)n1Cc1ccccc1,CID648245,,0.0,,,0.0,0.0,0.0,,,,,,,,,0.0,
COc1ccc(NC(=O)CSc2nnc(C)n2Cc2ccccc2)cc1,CID1151543,,,,,,,,,,,0.0,,,,,,
COc1ccc(OC)c(NC(=O)CSc2nnc(C)n2Cc2ccccc2)c1,CID1313765,0.0,,,,0.0,,,,,,,,,,,,
CCOC(=O)c1cccc(NC(=O)CSc2nnc(C)n2Cc2ccccc2)c1,CID654848,0.0,,,0.0,,,,,,,,,,,,,
S=c1[nH]nc(-c2cccc(Br)c2)o1,CID794839,,,,,,,,,0.0,,,,,0.0,,0.0,
COc1ccc(Cl)cc1-c1n[nH]c(=S)o1,CID701063,,0.0,,,,,,,,0.0,,,,0.0,,,0.0
CCOc1ccccc1-c1n[nH]c(=S)o1,CID2235547,,,,,,,,,,,,,,,0.0,,
COc1ccccc1-c1n[nH]c(=S)o1,CID749967,,,,,0.0,,,,,,0.0,,,0.0,0.0,,
Cc1ccccc1-c1n[nH]c(=S)o1,CID774385,,0.0,,,0.0,0.0,,,,,,0.0,,,,,
CC(C)(C)c1ccc(-c2n[nH]c(=S)o2)cc1,CID690198,,,,,,0.0,,,,,,,,,,,
Cn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cc2ccccc2o1,CID1262637,0.0,0.0,,,0.0,,0.0,,,,,,,,,0.0,
COc1cccc2cc(-c3nnc(SCC(=O)Nc4cc(C(F)(F)F)ccc4Cl)n3N)oc12,CID2224948,0.0,,,,,,,,,,,,,,,,
Cn1c(SCC(=O)Nc2ccccc2F)nnc1-c1cc2ccccc2o1,CID2212821,,,,,,,,,0.0,,,,,,,,
CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cc2cc(Br)ccc2o1,CID1262055,0.0,,,,,,0.0,,,,1.0,,,,,0.0,
COc1ccc(C)cc1NC(=O)CSc1nnc(-c2cc3cccc(OC)c3o2)n1N,CID1306574,,0.0,,0.0,0.0,,,0.0,,,0.0,,,,,0.0,
CCc1cccc(C)c1NC(=O)CSc1nnc(-c2cc3cc(Br)ccc3o2)n1CC,CID2207552,0.0,,,,,,,,0.0,,0.0,,,,,0.0,
O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccccc1F,CID961046,,,,,,,,,0.0,,,,,,,,
COc1cccc(OC)c1C(=O)Nc1ccc(CN2CCOCC2)cc1,CID1088388,0.0,,0.0,0.0,,,,0.0,0.0,,,,,,,,
COc1c(C)cccc1C(=O)Nc1ccc(CN2CCOCC2)cc1,CID851455,0.0,,0.0,,,,,0.0,0.0,,,0.0,0.0,,,,0.0
O=C(Nc1ccc(CN2CCOCC2)cc1)c1cccc(F)c1,CID851469,,0.0,0.0,0.0,,,,,,,,0.0,,,,,
COc1ccc(C(=O)Nc2ccc(CN3CCOCC3)cc2)cc1,CID851468,,,,,,,,,0.0,,,,,,,,
CC(C)Oc1cccc(C(=O)Nc2ccc(CN3CCOCC3)cc2)c1,CID979227,0.0,,,,,,,0.0,0.0,,,0.0,,,,,
CCOC(=O)N1CCN(C(=O)C2CC(c3ccc(F)cc3)=NO2)CC1,CID5308699,,0.0,,,,,,0.0,,,0.0,,,,,,
CN1CCN(C(=O)C2CC(c3ccc(F)cc3)=NO2)CC1,CID9550476,,,,,,,,,,,,,,,0.0,,
CN1CCN(C(=O)C2CC(c3c(F)cccc3Cl)=NO2)CC1,CID2962184,0.0,,,,,,,,,,,,0.0,,,0.0,0.0
CCN1CCN(C(=O)C2CC(c3ccc(F)cc3)=NO2)CC1,CID5308889,,,,,,,,0.0,,,,,0.0,,,,
CCOC(=O)N1CCN(C(=O)C2CC(c3ccccc3OC)=NO2)CC1,CID3244638,,,,,,,,,,,,,0.0,,,,
CCOC(=O)N1CCN(C(=O)C2CC(c3cc(OC)ccc3OC)=NO2)CC1,CID3235635,,,,,,0.0,,0.0,0.0,,,0.0,,,,,
CCCc1cc(C(=O)Nc2sc(C(C)=O)c(C)c2C(=O)OCC)no1,CID5309341,,,,,,,,,,,,,,,,,0.0
CCCc1cc(C(N)=O)c(NC(=O)c2cc(C)on2)s1,CID1244346,,,,,0.0,,0.0,,0.0,,,0.0,0.0,0.0,,0.0,
CCc1c(C)sc(NC(=O)c2cc(C)on2)c1C#N,CID3244394,,0.0,,,,,,,,,0.0,0.0,,,,,0.0
CCCc1cc(C(=O)OC)c(NC(=O)c2cc(C)on2)s1,CID841923,,,,,,,,,,,0.0,,,,,,
CCCc1cc(C(=O)Nc2sc(C)c(C)c2C(=O)OCC)no1,CID5309311,0.0,,,,,,,,0.0,,,,,,,0.0,0.0
Cc1cc(C(=O)Nc2sc(C)c(C)c2C#N)no1,CID1246355,,,,,,,,,,,0.0,0.0,,,,0.0,0.0
O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)N1CCOCC1,CID666879,0.0,,0.0,0.0,,,0.0,,,,0.0,,,0.0,,,0.0
Cc1cccc(-c2noc(CCCC(=O)N3CCOCC3)n2)c1,CID1941616,,,,,,,,,,,,,,0.0,,,
O=C(CCCc1nc(-c2ccccc2Cl)no1)N1CCOCC1,CID1852407,,,,,,,,,,,,,,0.0,,,
Cc1ccc(-c2noc(CCCC(=O)N3CCOCC3)n2)cc1,CID667345,,,,,,,0.0,,,0.0,,,,,,,
COc1cccc(-c2noc(CCCC(=O)N3CCOCC3)n2)c1,CID1832159,,,,,,,,,,,,,,,0.0,,
O=C(CCCc1nc(-c2ccccc2)no1)N1CCOCC1,CID665888,,0.0,0.0,,,0.0,,,,,,,,,,,
Cc1cccc(NC(=O)CSc2n[nH]c(-c3ccncc3)n2)c1,CID647585,,,0.0,0.0,,,,0.0,,0.0,,,0.0,,0.0,0.0,
Cc1ccc(C)c(NC(=O)CSc2n[nH]c(-c3ccncc3)n2)c1,CID938296,,,,0.0,0.0,,,,,,,,0.0,,0.0,0.0,
COC(=O)c1ccc(NC(=O)CSc2n[nH]c(-c3ccncc3)n2)cc1,CID1264378,,0.0,,,,,0.0,,,,0.0,,0.0,,0.0,,
Cc1ccc(NC(=O)CSc2n[nH]c(-c3ccncc3)n2)cc1C,CID650884,,,0.0,,0.0,,0.0,,,,0.0,,,,,,
Cc1ccc(NC(=O)CSc2n[nH]c(-c3ccncc3)n2)cc1,CID647333,,0.0,,0.0,,0.0,,,,0.0,0.0,,0.0,,,0.0,
CCOC(=O)c1ccc(NC(=O)CSc2n[nH]c(-c3ccncc3)n2)cc1,CID1241962,,0.0,,0.0,,,,,,,0.0,,0.0,,0.0,,
C/N=C(/Nc1ccc(C)c(C)c1)SC1CC(=O)N(c2ccc(OC)cc2)C1=O,CID3126837,,,,,,,,,,,,,,,0.0,,
C/N=C(/Nc1ccc(C(=O)OC)cc1)SC1CC(=O)N(c2ccccc2F)C1=O,CID2869082,,,,,,,,,,,,,,0.0,,,
CCCOc1ccc(N2C(=O)CC(S/C(=N/C)Nc3ccc(F)cc3)C2=O)cc1,CID3126858,,,,,,,,,,0.0,0.0,,,,,,
CCOc1ccc(N2C(=O)CC(S/C(=N/C)Nc3cccc(F)c3)C2=O)cc1,CID2869103,0.0,,,0.0,,0.0,0.0,,,,,,,,,,
CCCOc1ccc(N2C(=O)CC(S/C(=N/CC)Nc3cccc(F)c3)C2=O)cc1,CID3588811,,,,,,,,,,,,,,0.0,,,
CC/N=C(\Nc1cccc(F)c1)SC1CC(=O)N(c2ccc(OC)cc2)C1=O,CID3239631,0.0,,,,,,,,,,,,,,,,0.0
CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CCN(C(C)CSC)CC1,CID16192376,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C1(Cc2cccc(OC)c2)CCN(C(C)COC)CC1,CID16191445,,,,,,,,,,,,,,,0.0,,
Cc1ccc(CC2(O)CC(C)N(C)CC2C)c(C)c1,CID658447,,,,,,,,0.0,,,,,,,,,
COCCNC(=S)N1CCC(Cc2ccccc2)CC1,CID1866964,,,,,,,,,,,,,,0.0,,,
CN(C)S(=O)(=O)N1CCC(Cc2ccccc2)CC1,CID669875,,,,,,,0.0,0.0,,,,,,,,,
CCOCC(=O)N1CCC(Cc2ccccc2)CC1,CID2163066,,,,,,,,,,,,,,0.0,,,
CC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)Nc3cccc(C)c3)ccc21,CID3243456,,,,,,,0.0,,0.0,,0.0,,,,,0.0,0.0
CCOC(=O)c1cccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CC)c1,CID3244011,,,,,0.0,,,,,,,,0.0,,,,
CCC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)Nc3cc(C)cc(C)c3)ccc21,CID3242735,,0.0,,,0.0,,,0.0,0.0,,,,,,,0.0,
CCC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)Nc3ccccc3C)ccc21,CID3241873,,,,,0.0,,,,,,,,,,,0.0,
CC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)Nc3cccc(C)c3C)ccc21,CID3242870,,,0.0,,0.0,,0.0,,0.0,,,,,,,0.0,
CC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)Nc3cc(C)cc(C)c3)ccc21,CID3240569,,,,,0.0,,,,0.0,,,0.0,,,,0.0,
CC(C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])c(NC(C)c3ccccc3)c2)CC1,CID2942047,,,,,,,,,,,,,,,0.0,,
CC(C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccccc3)c2)CC1,CID2917212,,,,,,,,,,,,0.0,,,,,
CS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccc(Cl)cc3)c2)CC1,CID2901754,,,,,,,,,,,,,,,0.0,,
CC(Nc1cc(N2CCN(C(=O)C(C)(C)C)CC2)ccc1[N+](=O)[O-])c1ccccc1,CID2933620,,,,,,0.0,,,,,,0.0,,,,,
CCCC(=O)N1CCN(c2ccc([N+](=O)[O-])c(NC(C)c3ccccc3)c2)CC1,CID2925534,,,,,,0.0,,,,,,0.0,,,,,
CN1CCN(c2ccc([N+](=O)[O-])c(NCc3ccc(Cl)cc3)c2)CC1,CID4494260,,,,,,0.0,,,,,,,,,,,
N#Cc1c(NCCN)nc(-c2ccccc2)c2c1CCCC2,CID2290378,,,,,,,,,0.0,,0.0,,,,,,
N#Cc1c(NCCCO)nc(-c2ccccc2)c2c1CCCC2,CID658238,,0.0,0.0,,,,,,,,0.0,,,,,,
Cc1ccc(-c2nc(SCC(N)=O)c(C#N)c3c2CCCC3)cc1,CID929998,,,,,,,,,,,0.0,,,,,,
COC(=O)CSc1nc(-c2ccc(C)cc2)c2c(c1C#N)CCCC2,CID1472697,,,,,,,,,,,,0.0,,0.0,,,
N#Cc1c(SCC(N)=O)nc(-c2ccccc2)c2c1CCCC2,CID659532,,0.0,,0.0,,0.0,,,,,0.0,0.0,,,,0.0,0.0
N#Cc1c(SCC(=O)O)nc(-c2ccccc2)c2c1CCCC2,CID946998,,,,,,,,,0.0,,,0.0,,,,,
COc1ccc2[nH]c(C)c(CN3CCCC(C)C3)c(=O)c2c1,CID2790532,,,0.0,,,,,,,,,,,,,,
Cc1[nH]c2ccc(Br)cc2c(=O)c1CN1CCCCC1,CID661303,0.0,,,,,,0.0,,0.0,,0.0,0.0,,,,,0.0
Cc1[nH]c2ccccc2c(=O)c1CN1CCCCC1,CID710590,,,,0.0,,,0.0,,,0.0,,0.0,,,,,0.0
COc1ccc2[nH]c(C)c(CN3CCCCC3)c(=O)c2c1,CID608542,0.0,,,,,,0.0,,,,,,,,,,
CCOc1ccc2[nH]c(C)c(CN3CCCCC3)c(=O)c2c1,CID696551,0.0,,,,0.0,0.0,,,,0.0,,,0.0,,,,
COc1ccc2[nH]c(C)c(CN3CCC(C)CC3)c(=O)c2c1,CID730796,,,,,0.0,,,,,0.0,0.0,,0.0,,,,
COC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2cccnc2)c1=N,CID660153,,,,0.0,,,0.0,0.0,,,,,,,,,0.0
CCOC(=O)c1cc2c(=O)n3cc(C)ccc3nc2n(Cc2cccnc2)c1=N,CID1110761,,,0.0,0.0,,,,0.0,,,,,,,,,
Cc1cccn2c(=O)c3cc(C#N)c(=N)n(Cc4cccnc4)c3nc12,CID649254,,0.0,0.0,,,,,,,,,,0.0,,,,
N#Cc1cc2c(=O)n3ccccc3nc2n(Cc2cccnc2)c1=N,CID644414,,0.0,,,,,,0.0,,,,,,,,,
COC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2cccnc2)c1=N,CID1077411,,0.0,,0.0,,,0.0,,,,,,,,,,
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2cccnc2)c1=N,CID660154,,0.0,0.0,,,,,0.0,,,,,,,,,
CCOc1ccccc1-n1c(SCC(=O)NC(C)CC)nnc1-c1ccoc1C,CID646781,0.0,,,,,,0.0,,,,0.0,,0.0,,,0.0,0.0
CCOc1ccccc1-n1c(SCC(=O)NC(C)(C)C)nnc1-c1ccoc1C,CID649655,0.0,0.0,,0.0,,,0.0,0.0,,,0.0,,0.0,,,0.0,
COc1cccc(-n2c(SCC(=O)NC(C)(C)C)nnc2-c2ccoc2C)c1,CID648340,0.0,,,0.0,0.0,,0.0,,,,,,,,,0.0,
CCOC(=O)CSc1nnc(-c2ccoc2C)n1-c1ccc(OCC)cc1,CID644703,,,,,0.0,0.0,,0.0,,,,,0.0,,,,0.0
COC(=O)CSc1nnc(-c2ccoc2C)n1-c1ccc(C)cc1,CID645289,0.0,0.0,,,0.0,0.0,0.0,0.0,,,,,,0.0,,0.0,
COC(=O)CSc1nnc(-c2ccoc2C)n1-c1ccc(OC)cc1,CID652618,0.0,0.0,,,0.0,,,0.0,,,0.0,,,0.0,,0.0,
CC(=O)N1CC(=O)Nc2ccc(Cl)cc2C1c1ccc(F)cc1,CID3236849,,0.0,0.0,0.0,,,0.0,,,,,,,,,0.0,
Cc1ccc2c(c1)C(c1ccccc1)NCC(=O)N2,CID646177,0.0,,,,,,0.0,,0.0,,,,,,,,
Cc1ccc2c(c1)C(c1ccccc1)N(C(=O)C(C)C)CC(=O)N2,CID4203590,,,0.0,0.0,0.0,,,0.0,,,,,,,,,
CCCC(=O)N1CC(=O)Nc2ccc(F)cc2C1c1ccccc1,CID3401387,,,,0.0,,,,,,,,,,,,,
CCC(=O)N1CC(=O)Nc2ccc(Cl)cc2C1c1ccc(F)cc1,CID3244453,0.0,,,,,,,,,0.0,,,,,,0.0,0.0
CCC(=O)N1CC(=O)Nc2ccc(F)cc2C1c1ccccc1,CID4231396,,,,,,,0.0,,,,0.0,,,,,,
COc1ccc(-c2cc(C(=O)Nc3cc(C)on3)no2)cc1,CID3685910,,,,,,,,,,,,,,0.0,,,
COc1ccccc1-c1cc(C(=O)Nc2cc(C)on2)no1,CID3242638,,0.0,,0.0,,,,,,,,,0.0,,,,
COc1cccc(-c2cc(C(=O)Nc3cc(C)on3)no2)c1,CID3241348,,,,,,,,0.0,,0.0,,,,,,,
Cc1cc(NC(=O)c2cc(-c3cccc(Cl)c3)on2)no1,CID3236895,0.0,0.0,0.0,0.0,,0.0,0.0,,0.0,,0.0,0.0,,,,,0.0
COc1ccc(OC)c(-c2cc(C(=O)Nc3cc(C)on3)no2)c1,CID3241420,,0.0,,,,,,0.0,,,,,,,,,
Cc1cc(NC(=O)c2cc(-c3ccccc3)on2)no1,CID973866,,,,,,,,,,,,0.0,,,,,
CCOc1ccc2nc(SC3CC(=O)N(c4ccc(C)cc4)C3=O)sc2c1,CID2871775,,,,,,0.0,,,,,,,,0.0,,,
CC(=O)Nc1ccc(N2C(=O)CC(Sc3nc4ccccc4s3)C2=O)cc1,CID2927301,,,,,,,,,,,,,,0.0,,,
COc1cccc(N2C(=O)CC(Sc3nc4ccccc4s3)C2=O)c1,CID2891126,,,,,,0.0,,,,,,,,,,,
CCOc1ccc2nc(SC3CC(=O)N(c4ccc(OC)cc4)C3=O)sc2c1,CID2870476,,,,,,0.0,,,,,,,,,,,
COc1ccc(N2C(=O)CC(Sc3nc4ccccc4s3)C2=O)cc1,CID2879574,,,,,,,,,,,,,,0.0,,,
CCOc1ccc2nc(SC3CC(=O)N(c4ccc(OC)cc4OC)C3=O)sc2c1,CID2894460,,,,,,,,,,,,,,,0.0,,
Cc1cccc(NC(=S)N2CCOCC2)c1C,CID800110,,,,,,,,,,,,,,,0.0,,
Cc1ccc(NC(=S)N2CCOCC2)c(C)c1,CID800516,,,,,,,,,,,,,,,0.0,,
COc1ccccc1NC(=S)N1CC(C)OC(C)C1,CID2807318,,,,,,,,,,,,,,,0.0,,
Cc1c(Cl)cccc1NC(=S)N1CCOCC1,CID800559,,,,,,,,,,,,,,0.0,,,
S=C(Nc1ccccc1Cl)N1CCOCC1,CID883416,,,,,,,,,,,,,,0.0,,,
S=C(Nc1ccc(Cl)cc1Cl)N1CCOCC1,CID883579,,,,,,,,,,,,,,,0.0,,
O=C1C([N+](=O)[O-])=CC(Br)=C/C1=C\Nn1cnnc1,CID6537826,,,,,,,,,,,,,,,0.0,,
COC1=C/C(=C\Nn2cnnc2)C(=O)C=C1,CID5337924,,,,,,0.0,,,,,,,,,,,
C=CCC1=CC=C/C(=C\Nn2c(C)nnc2C)C1=O,CID5342927,,,,,,,,,,,,0.0,,,,,
O=C1C=CC=C/C1=C\Nn1cnnc1,CID6538678,,,,,,0.0,,,,,,,,,,,
O=C1C=CC([N+](=O)[O-])=C/C1=C\Nn1cnnc1,CID5915730,,,,,,,,,,,,,,0.0,,,
C=CCC1=CC=C/C(=C\Nn2cnnc2)C1=O,CID5333091,,,,,,,,,,,,0.0,,,,,
CCCn1nc(C(=O)Nc2cccc(C(=O)OC)c2)c2ccccc2c1=O,CID2676430,,,,,0.0,0.0,,,0.0,,,,,,,,
CCCn1nc(C(=O)Nc2cc(C(=O)OC)ccc2C)c2ccccc2c1=O,CID2673220,,,,,0.0,,,0.0,0.0,,0.0,,,,,,0.0
COC(=O)c1cccc(NC(=O)c2nn(C)c(=O)c3ccccc23)c1,CID2676414,,,,0.0,,,,,0.0,,,,0.0,,,,
COC(=O)c1ccc(C)c(NC(=O)c2nn(C)c(=O)c3ccccc23)c1,CID2673212,,,,,,,,,,,,,,,,,0.0
COC(=O)c1cccc(NC(=O)c2nn(C(C)C)c(=O)c3ccccc23)c1,CID2676403,,,0.0,,0.0,,,,,,,,,,,,
CCOC(=O)c1ccc(NC(=O)c2n[nH]c(=O)c3ccccc23)cc1,CID2117217,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(-n2c(SCC(=O)Nc3nccs3)nc3c(c2=O)SCC3)cc1,CID2155336,,,,,0.0,,,,,,,,,,,,
O=C(CSc1nc2c(c(=O)n1-c1ccc(Br)cc1)SCC2)Nc1nccs1,CID3245260,,,,,0.0,,,,,,,,,,,,
O=C(CSc1nc2c(c(=O)n1-c1ccc(Cl)cc1)SCC2)Nc1nccs1,CID2155433,,,,,0.0,,,,0.0,,,,,0.0,,,
Cc1ccc(-n2c(SCC(=O)Nc3nccs3)nc3c(c2=O)SCC3)cc1,CID2155202,,,0.0,,0.0,,,,0.0,,,,,,,,
COc1ccc(-n2c(SCC(=O)Nc3nccs3)nc3c(c2=O)SCC3)cc1,CID2155306,,,,0.0,0.0,,,,0.0,,,,,,,,0.0
COc1ccc(-n2c(SCC(=O)Nc3nccs3)nc3c(c2=O)SC(C)C3)cc1,CID3373843,,,,,0.0,,,,,,,,,,,,
C=C(C)Cc1c(C)[nH]c(-c2ccccc2)nc1=O,CID746585,,,,,0.0,,0.0,0.0,,0.0,,,0.0,,,,
CCCCCOC(=O)Cc1c(C)[nH]c(-c2ccccc2)nc1=O,CID660999,,,0.0,,0.0,,0.0,,,,0.0,,,0.0,,,
CCCCCCOC(=O)Cc1c(C)[nH]c(-c2ccccc2)nc1=O,CID1977571,,,,,,,,,0.0,,,,,,,,
O=c1cc(C(F)(F)F)[nH]c(-c2ccccc2)n1,CID781069,,,,0.0,,,,,0.0,,,,,,,,
Cc1cc(=O)nc(-c2ccccc2)[nH]1,CID604122,,,,,,,,,,,0.0,0.0,,,,,
CCOC(=O)Cc1c(C)[nH]c(-c2ccccc2)nc1=O,CID656314,,,0.0,,,,0.0,,0.0,0.0,,,0.0,,0.0,,
Cc1ccc(NC(=O)CS(=O)(=O)c2ccccc2)cc1,CID681402,,,,,,0.0,,,,,,,,,,,
COc1cc(NC(=O)CS(=O)(=O)c2ccccc2)cc(OC)c1OC,CID1259994,,,,,,,,0.0,0.0,0.0,,,,,,,
COc1ccc(S(=O)(=O)CC(=O)Nc2ccccc2Cl)cc1,CID3770920,,,,,,,,,,,,,,,0.0,,
COc1ccc(OC)c(NC(=O)CS(=O)(=O)c2ccccc2)c1,CID891798,,,,0.0,,,,0.0,0.0,,,,0.0,0.0,,,
COc1cc(NC(=O)CS(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC,CID1265339,,,,,,,,,0.0,0.0,,,0.0,,0.0,0.0,
O=C(CS(=O)(=O)c1ccccc1)Nc1ccc(Cl)cc1,CID892271,,,,,,,,,,,,,,0.0,,,
COC(=O)c1cccc(COC(=O)CNC(=O)c2ccco2)c1,CID646661,,,,,0.0,,,0.0,,,,,,,0.0,0.0,
COC(=O)c1ccc(COC(=O)CNC(=O)c2ccco2)cc1,CID894671,,,,,,,,,,,0.0,,,,0.0,,
O=C(CNC(=O)c1ccco1)OCc1ccc(Cl)cc1,CID755834,,,,,,,,,,,,,,,,0.0,0.0
O=C(CNC(=O)c1ccco1)OCc1cccc(Cl)c1,CID2095470,,,0.0,,,,,,,,,,0.0,,,0.0,
CC(NC(=O)c1ccco1)C(=O)OCc1cccc(Cl)c1,CID3000160,0.0,,0.0,0.0,,,,,,,,,0.0,,,0.0,0.0
O=C(CNC(=O)c1ccco1)OCc1c(F)cccc1Cl,CID651769,,,0.0,0.0,,,,,,,,,,0.0,,,0.0
CCn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)Nc1ccccc1C(=O)OC,CID2207085,,,,,0.0,,,0.0,,,0.0,,0.0,,,0.0,
COc1ccccc1NC(=O)CSc1nnc(CC(=O)Nc2ccccc2)n1C,CID1295953,,0.0,0.0,0.0,0.0,,,,0.0,,,,0.0,,,,
COc1ccc(C)cc1NC(=O)CSc1nnc(CC(=O)Nc2cccc(C(F)(F)F)c2)n1C,CID2233643,,,,,,,,,,0.0,,,,,,,
COc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3cc(C)ccc3OC)n2C)cc1,CID2235769,,,0.0,0.0,0.0,,,,,,0.0,,0.0,,,,
COc1ccc(C)cc1NC(=O)CSc1nnc(CC(=O)Nc2ccccc2C)n1C,CID2230226,,,,,,,,,,,0.0,,,,,,
COc1ccccc1NC(=O)CSc1nnc(CC(=O)Nc2cccc(C(F)(F)F)c2)n1C,CID1252753,,,,,,,,,,0.0,,0.0,,,,,
COC1CCCCC1Nc1cc(C)ccc1C,CID2850171,,,,,,,,0.0,,,0.0,0.0,,,,,
COC1CCCCC1Nc1cccc(SC)c1,CID2851334,,0.0,,,0.0,,0.0,,,,,,,,,,
O=C(CCl)N(c1ccccc1)C1CCCCC1,CID2794916,,,,,,,,,,,,,,0.0,,,
CN(C)S(=O)(=O)c1cc(C(=O)O)c(NC2CCCCC2)cc1Cl,CID1330887,,,,,,,,,,0.0,,,,,,,
COC1CCCCC1Nc1cc(C)cc(C)c1,CID2851638,,,,,,0.0,,,,,0.0,,,,,,
COC1CCCCC1Nc1ccc(C)c(C)c1,CID2850833,,,,,,,,,,,0.0,0.0,,,,,
CC(C)C(OC(=O)c1cccs1)C(=O)NCc1ccco1,CID652392,,,0.0,,0.0,,0.0,,0.0,,,,0.0,0.0,,,
O=C(COC(=O)c1cccs1)NCc1ccco1,CID1084760,,,,,0.0,,,,,,,,,,,,
CCC(OC(=O)c1cccs1)C(=O)NCc1ccco1,CID656098,,,,0.0,0.0,,0.0,,,,,,,0.0,,,
CC(OC(=O)c1cccs1)C(=O)NCc1ccco1,CID654796,,,,,0.0,0.0,0.0,,,,,,,,,,
Cc1ccsc1C(=O)OCC(=O)NCc1ccco1,CID2087468,,,,,,,,,,,,,,0.0,,,
CC(C)CC(OC(=O)c1cccs1)C(=O)NCc1ccco1,CID648423,,0.0,0.0,0.0,0.0,,0.0,,0.0,,,,,0.0,,,0.0
CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(OC)cc1,CID1144272,,,,,,,,,,0.0,,,,,,,
CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1O,CID2995778,,,,,,,,,,,,,,0.0,,,
CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(N)cc1,CID1173928,,,,,,,,,,0.0,,,,,,,
CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1cccc(C(=O)OC)c1,CID2215171,0.0,,0.0,0.0,,,,,,,0.0,,,,,0.0,0.0
CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1,CID648615,0.0,,0.0,,0.0,0.0,0.0,,,,0.0,,,,,0.0,0.0
CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(S(N)(=O)=O)cc1,CID2229104,,0.0,,,,,0.0,,0.0,,,,,,0.0,,
Cc1cc(NC(=O)c2cccs2)n(-c2ccccc2)n1,CID2395532,,,,,,0.0,,,,,,,,,,,
Cc1cc(NC(=O)c2sccc2C)n(-c2cccc(Cl)c2)n1,CID2352148,0.0,0.0,0.0,,0.0,,,,,0.0,,0.0,0.0,0.0,0.0,,0.0
Cc1ccc(-n2nc(C)cc2NC(=O)c2ccc(C)s2)cc1,CID2414907,,,,,,,,,,0.0,,,,0.0,,,
CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1cccs1,CID741701,0.0,0.0,,0.0,0.0,,0.0,,,,0.0,,0.0,0.0,,,
Cc1cc(NC(=O)c2ccc(C)s2)n(-c2ccccc2)n1,CID2123569,,,,,,0.0,,,,,,,,,,,
CCN(CC)C(=O)c1cnn(-c2ccccc2)c1NC(=O)c1cccs1,CID1350714,,,,,,,,,,,0.0,,,,,,
CC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)NCCC2=CCCCC2)cc1,CID2200037,,,,,,,,,,,0.0,,,,,,
O=C(COc1ccc(Cl)cc1)NCCC1=CCCCC1,CID835819,,,,,,0.0,,,,,,,,,,,
O=C(COc1ccc([N+](=O)[O-])cc1)NCCC1=CCCCC1,CID675719,,,,,,,,,,,,,,,0.0,,
O=C(COc1ccccc1[N+](=O)[O-])NCCC1=CCCCC1,CID2500325,,,,,,,,,,,,,,,0.0,,
CC(C)NS(=O)(=O)c1ccc(OCC(=O)NCCC2=CCCCC2)cc1,CID5218704,,,,,,,,,,0.0,,,,,,,
CCCNS(=O)(=O)c1ccc(OCC(=O)NCCC2=CCCCC2)cc1,CID2211189,,,,,,,,,,,,0.0,,,,,
C=CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1cccc(Br)c1,CID2234088,,,,,,,,,0.0,,,,,,,,
Cn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1cccc(Br)c1,CID1262804,,,,,,,,,0.0,,0.0,,,,,,
CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1cc(C)c(C)cc1Br,CID2212606,,,,,,,,,0.0,,,,,,,,
CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1ccc(Br)cc1F,CID986424,,,,,,,,,0.0,,,,,,,,
Cn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1cccc(F)c1,CID2239281,,,,,,,,,,,,,,,0.0,,
CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl,CID2215407,,,,,0.0,,,,,,,,,,,,
S=C(NCCN1CCOCC1)Nc1ccc(Cl)cc1,CID841905,,,,,,,,,,,,,,0.0,,,
S=C(NCCN1CCOCC1)Nc1ccc(Br)cc1,CID2254918,,,,,,,,,,,,,,0.0,,,
COc1cc(NC(=S)NCCN2CCOCC2)cc(OC)c1OC,CID2986249,,,,,,,,,,,,,,,0.0,,
COc1ccccc1NC(=S)NCCN1CCOCC1,CID805935,,,,,,,,,,,,,,,0.0,,
Cc1cc(Cl)ccc1NC(=S)NCCN1CCOCC1,CID800257,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(C)(C)C)cc1NC(=S)NCCN1CCOCC1,CID2380549,,,,,,,,,,,,,,0.0,,,
CC1CN(C(=O)c2cc3cc(Cl)cc(Cl)c3oc2=O)CC(C)O1,CID653775,,,,,,,,,,,,,0.0,,,,
O=C(c1cc2ccc([N+](=O)[O-])cc2oc1=O)N1CCOCC1,CID783463,,,,,,,,,,,,,,,0.0,,
CC1CN(C(=O)c2cc3ccccc3oc2=O)CC(C)O1,CID2784339,,,0.0,,,0.0,,0.0,,0.0,,,,,,,0.0
O=C(c1cc2cc(Cl)ccc2oc1=O)N1CCOCC1,CID976955,,0.0,,0.0,,,,,,0.0,,,,0.0,,,
O=C(c1cc2cc(Cl)cc(Cl)c2oc1=O)N1CCOCC1,CID649652,,,,,,,0.0,,,,,,,,,,
O=C(c1cc2cc([N+](=O)[O-])ccc2oc1=O)N1CCOCC1,CID559406,,,,,,,,,,,,,,0.0,0.0,,
CSc1nc(O)c(Cc2ccccc2)c(=O)[nH]1,CID661394,,,0.0,0.0,0.0,,,,,,,,,,0.0,,
COc1ccc(Cc2c(O)nc[nH]c2=O)cc1,CID3792865,,,,,,,,,,,,,,0.0,,,
CCC(C)Sc1nc(O)c(Cc2ccccc2)c(=O)[nH]1,CID2843988,,,,,,,,,,,0.0,0.0,,,,,
COc1ccc(Cc2c(O)nc(SCC(=O)NC(C)(C)C)[nH]c2=O)cc1,CID1073979,,,,,,,,,,,,,,0.0,,,
CC(C)Oc1ccc(Cc2c(O)nc(NCCCN(C)C)[nH]c2=O)cc1,CID659174,,,,,,,,0.0,0.0,,0.0,,,,,0.0,
CC(C)Sc1nc(O)c(Cc2ccccc2)c(=O)[nH]1,CID801753,,,,,0.0,,,,,0.0,,,,,,,
CC(C)(C)C1=CC(=CNn2cnnc2)C=C(C(C)(C)C)C1=O,CID6279580,,,,,,0.0,,,,,,,,,,,
CCOC1=C/C(=C\Nn2cnnc2)C(Br)=CC1=O,CID5771422,,,,,,,0.0,,,,0.0,,,,,,
CCOC1=C/C(=C/Nn2c(C)nnc2C)C=CC1=O,CID5343036,,,,,,0.0,,,,,,,,,,,
C=CCC1=C/C(=C\Nn2cnnc2)C=C(OCC)C1=O,CID6324590,,,0.0,,,,,,,,,,,,,,
CCOC1=C/C(=C/Nn2cnnc2)C=CC1=O,CID5334054,,,,,,,0.0,,,,,,,,,,
Cc1nnc(C)n1N/C=C1/C=CC(=O)C=C1O,CID5337547,,,,,,0.0,,,,,,,,,,,
CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ncccn1,CID596278,,0.0,,,,,,,,0.0,,,,,0.0,0.0,0.0
O=C(COc1ccc(Cl)cc1)Nc1ncccn1,CID686157,,,0.0,0.0,,,0.0,,,0.0,,,0.0,,0.0,0.0,0.0
COc1cc(C)nc(NC(=O)COc2ccc(Cl)cc2C)n1,CID977640,0.0,0.0,0.0,0.0,,,,,,0.0,,,,,,,0.0
CC(Oc1ccc(Cl)cc1)C(=O)Nc1ncccn1,CID655197,0.0,0.0,,0.0,,,0.0,,,0.0,,,,,,,0.0
O=C(COc1ccccc1)Nc1ncccn1,CID871935,,,,,,,,,0.0,,,0.0,,,0.0,,
CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ncccn1,CID2862668,0.0,,,,,,0.0,,,,,,,,,,
O=C(Nc1cnn(Cc2c(Cl)cccc2Cl)c1)c1ccc([N+](=O)[O-])cc1,CID1225458,,,,,,,,,,,,0.0,,,,,
COc1ccc(C(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)cc1OC,CID4407764,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(C(=O)Nc2cnn(Cc3ccc(Cl)c(Cl)c3)c2)cc1,CID1236024,,,,,,0.0,,,,,,,,0.0,,,
O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1ccc([N+](=O)[O-])cc1,CID1225528,,,,,,0.0,,,,,,,,,0.0,,
CCOc1cccc(C(=O)Nc2cnn(Cc3ccccc3)c2)c1,CID1223790,,,,,,,,,,,,0.0,,,,,
Cc1ccccc1Cn1nc(C)c(NC(=O)c2ccccc2)c1C,CID1247478,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nnc(C)s2)cc1OC,CID2913340,,0.0,,,0.0,0.0,,,,,0.0,,0.0,,,,
O=C(C1=C(O)C(=O)N(c2nncs2)C1c1ccc(F)cc1)c1cccs1,CID2891898,,,,,,0.0,,,,,,,,,,,
C=CCOc1ccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nnc(C)s2)cc1,CID2911882,,,,,,,,,,0.0,0.0,,,,,,
CC(C)c1nnc(N2C(=O)C(O)=C(C(=O)c3cccs3)C2c2ccccc2)s1,CID2939274,,,,,,,,,,,,,,0.0,,,
O=C(C1=C(O)C(=O)N(c2nncs2)C1c1cccc([N+](=O)[O-])c1)c1cccs1,CID2891527,,,,,,0.0,,,,,,,,,,,
COc1ccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nncs2)cc1,CID2891549,,,0.0,,0.0,0.0,,,,,,,,,,,
O=c1c2[nH]c3ccccc3c2ncn1Cc1ccco1,CID915628,,,,,,0.0,,,0.0,,0.0,0.0,,,,,
Cn1c2ccc(F)cc2c2ncn(Cc3ccco3)c(=O)c21,CID1861827,,,,,,,,,,,,0.0,,,,,
COc1ccc2c(c1)[nH]c1c(=O)n(Cc3ccco3)cnc12,CID931915,,,,,,,,,,,,0.0,,,0.0,,
Cn1c2ccccc2c2ncn(Cc3ccco3)c(=O)c21,CID666844,,,,0.0,,,0.0,,,,,,,,0.0,0.0,
COc1ccc2[nH]c3c(=O)n(Cc4ccco4)cnc3c2c1,CID658506,,,,,,,,,0.0,,,0.0,,,,,
COc1ccc2c(c1)c1ncn(Cc3ccco3)c(=O)c1n2C,CID665933,,,,,,0.0,,0.0,0.0,,,,0.0,,,,
O=C(COc1ccccc1Cl)NCCCN1CCOCC1,CID2428910,0.0,,,,,,,,,0.0,,,,,,0.0,0.0
CC(Oc1ccc(Cl)cc1Cl)C(=O)NCCCN1CCOCC1,CID5020355,0.0,,,,,,,,,,,,,,,,
Cc1cc(Cl)ccc1OCC(=O)NCCCN1CCOCC1,CID649861,0.0,0.0,,,,,0.0,,,0.0,,,,,,0.0,
Cc1cc(OCC(=O)NCCCN2CCOCC2)cc(C)c1Cl,CID654862,0.0,0.0,0.0,0.0,,,0.0,,,,,,,,,,0.0
COc1ccc(OCC(=O)NCCCN2CCOCC2)cc1,CID2259104,,,,,,,,,,,,0.0,,,,,
O=C(COc1ccc(Cl)cc1Cl)NCCCN1CCOCC1,CID2166897,0.0,,,,,,,,,,,,,,,0.0,
CC1CCN(C(=O)CSc2nc3n(-c4ccccc4)[nH]cc-3c(=O)n2)CC1,CID2152942,0.0,0.0,0.0,,0.0,0.0,,0.0,,,,,,,,0.0,
CCC1CCCCN1C(=O)CSc1nc2n(-c3ccc(C)cc3)[nH]cc-2c(=O)n1,CID3274318,0.0,,,,0.0,,0.0,0.0,,,,,,,,0.0,
O=C(CSc1nc2n(-c3ccc(F)cc3)[nH]cc-2c(=O)n1)N1CCCCC1,CID2051855,0.0,,,,0.0,,,0.0,,,,,,,,,
Cc1ccc(-n2[nH]cc3c(=O)nc(SCC(=O)N4CCCCC4)nc2-3)cc1,CID2153101,0.0,,,0.0,0.0,,0.0,0.0,,,0.0,,,,,,
CC1CCN(C(=O)CSc2nc3n(-c4ccc(Cl)cc4)[nH]cc-3c(=O)n2)CC1,CID2153028,0.0,,,,0.0,,,,,,,,0.0,,,,
Cc1ccc(-n2[nH]cc3c(=O)nc(SCC(=O)N4CCC(C)CC4)nc2-3)cc1C,CID2153241,0.0,,,,0.0,,,,,,,,,,,,
CCOC(=O)c1nc(-c2ccccc2)oc1N1CCOCC1,CID770126,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(-c2nc(C#N)c(N3CC(C)OC(C)C3)o2)cc1OC,CID2963502,,,,,0.0,,,,,,,,,,,,
N#Cc1nc(-c2ccccc2Cl)oc1N1CCOCC1,CID892116,0.0,0.0,0.0,,,,0.0,,,0.0,,0.0,0.0,0.0,,,0.0
CCOc1ccc(-c2nc(C#N)c(N3CCOCC3)o2)cc1,CID891985,,,,,,,,0.0,,,0.0,,,,,,
COC(=O)c1nc(-c2ccccc2)oc1N1CCOCC1,CID685354,,,,,,,,,,,,,,0.0,0.0,,
CC1CN(c2oc(-c3ccccc3Cl)nc2C#N)CC(C)O1,CID661046,0.0,0.0,,0.0,,,,,,0.0,,0.0,,,,0.0,0.0
CC(=O)N(CCN(C(C)=O)c1ccccc1)c1ccccc1,CID1733533,0.0,,0.0,,0.0,,0.0,,,,,,0.0,0.0,,0.0,
CCCC(=O)N(CCN(C(=O)CCC)c1ccccc1)c1ccccc1,CID1787981,,,,,,,,,0.0,,,,,,,,
COc1ccc(NCCNc2ccc(OC)cc2)cc1,CID1809552,,,,,,,,,,,,0.0,,,,,
Cc1ccccc1NCCNc1ccccc1C,CID66759,,,,,,0.0,,,,0.0,,0.0,,,,,
Cc1cccc(NCCNc2cccc(C)c2)c1,CID81493,,,,,,,,,,0.0,,0.0,,,,,
Cc1ccc(NCCNc2ccc(C)cc2)cc1,CID78416,0.0,0.0,,0.0,,,0.0,,,0.0,,0.0,0.0,,,,0.0
Clc1cccc(OCc2nc(-c3ccncc3)no2)c1,CID1507028,,,,,,,,,,,,,,0.0,,,
Cc1cc(OCc2nc(-c3ccncc3)no2)cc(C)c1Cl,CID706146,,,,,,,,,,,,,,0.0,0.0,,
Clc1ccc(OCc2nc(-c3ccncc3)no2)cc1,CID793956,,,,,,,,,,,,,,0.0,,,
Cc1cc(Cl)ccc1OCc1nc(-c2ccncc2)no1,CID870479,,,,,,,,,,,,,,0.0,,,
Clc1ccccc1OCc1nc(-c2ccncc2)no1,CID829956,,0.0,0.0,,,,,,,,,0.0,0.0,0.0,,,0.0
Clc1ccc(OCc2nc(-c3ccncc3)no2)c(Br)c1,CID1367387,,,,,,,0.0,,,,0.0,,,,,,0.0
Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)NCc1ccccc1,CID1256430,,,,,,,,,,,,,,,0.0,,
Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCc1ccccc1,CID779336,,,,,,,,,,,,0.0,,,,,
Cc1cc(C(F)F)nn1CC(=O)NCc1ccccc1F,CID1225415,,,,,,,,,0.0,,,,,,,,
Cc1nn(CC(=O)NCc2ccccc2Cl)c(C)c1[N+](=O)[O-],CID2236682,,,,,,0.0,,,,,,,,,,,
Cc1cc(C(F)(F)F)nn1CC(=O)NCc1ccccc1,CID653962,,,,,0.0,,,,,,,,,,,,0.0
Cc1nn(CC(=O)NC(C)c2ccccc2)c(C)c1[N+](=O)[O-],CID2860198,,,,,,,,,,,,,,0.0,,,
CC(=O)c1ccc(NC(=O)C2CCC(C)NC2=O)cc1,CID665117,,,,0.0,,,,,,,,,,,,,0.0
O=C1NCCCC1C(=O)Nc1cccc(C(F)(F)F)c1,CID3242659,,,,,,,,,0.0,,,,,,,,
CC(=O)c1ccc(NC(=O)C2CCCNC2=O)cc1,CID665283,,,,0.0,,,,,,0.0,,,,0.0,,0.0,0.0
CC(C)Oc1ccc(NC(=O)C2CCCNC2=O)cc1,CID652798,0.0,,,0.0,,0.0,0.0,0.0,,,0.0,0.0,,0.0,,,0.0
CCCOc1ccc(NC(=O)C2CCCNC2=O)cc1,CID2911661,,,,0.0,,,,,,0.0,,,0.0,,,,
COc1ccc(OC)c(NC(=O)C2CCCNC2=O)c1,CID2912059,0.0,,,0.0,0.0,0.0,,,,,,,,,,,0.0
C=C(C)CSc1nnc2n(N)c(=O)c3ccccc3n12,CID757723,,,,,,,,,,0.0,,,,,,,
C/C(Cl)=C\CSc1nnc2n(N)c(=O)c3ccccc3n12,CID1938468,,0.0,0.0,0.0,,,,,,,,,,,,,
C=CCn1c(=O)c2ccccc2n2c(SCC(=O)/C(C#N)=C(\C)N)nnc12,CID5742455,,0.0,0.0,,,,,,,,,,0.0,,,,
CCCSc1nnc2n(N)c(=O)c3ccccc3n12,CID1993191,,,,,,,,,,0.0,,,,,,,
C=CCn1c(=O)c2ccccc2n2c(SCC(N)=O)nnc12,CID2413312,,,,,,,,,,0.0,,,,,,,
CCCn1c(=O)c2ccccc2n2c(SCC(=O)/C(C#N)=C(\C)N)nnc12,CID5742560,,0.0,,,,,,,,,,,,,,,
O=S(=O)(c1ccccc1)c1nc(-c2ccccc2F)oc1NCc1cccnc1,CID1244740,,,,,,,,,,,,,,,0.0,,
Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)oc2NCc2cccnc2)cc1,CID2354193,0.0,,,,0.0,0.0,,0.0,,,,,0.0,,,,0.0
Cc1ccccc1-c1nc(S(=O)(=O)c2ccc(Br)cc2)c(NCc2cccnc2)o1,CID1244642,,,,,,,,,0.0,,,,,,,,
O=S(=O)(c1ccccc1)c1nc(-c2ccccc2)oc1NCc1cccnc1,CID2353979,0.0,,,0.0,0.0,,,,,,,,,,,0.0,0.0
O=S(=O)(c1ccc(Br)cc1)c1nc(-c2ccccc2)oc1NCc1cccnc1,CID2445122,,,,,,,,,0.0,,,,,,0.0,,
CCOc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(NCc3cccnc3)o2)cc1,CID1244663,0.0,,,,,,,,,,,,,,,,
C=CCn1c(N2CCCC2)nc2c1c(=O)[nH]c(=O)n2C,CID651018,,,,0.0,,0.0,,,0.0,,,,0.0,,,,
C/C(Cl)=C/Cn1c(N2CCCC2)nc2c1c(=O)n(C)c(=O)n2C,CID944334,,,,,,,0.0,,,0.0,,,,,,,
C=C(C)Cn1c(N2CCCC2)nc2c1c(=O)[nH]c(=O)n2C,CID694452,,,,,,,0.0,,0.0,,,0.0,0.0,,0.0,,
Cn1c(=O)c2c(nc(N3CCCC3)n2CC(O)CO)n(C)c1=O,CID649939,,0.0,,0.0,,,,,,,,,0.0,,,,
C/C(Cl)=C\Cn1c(N2CCCC2)nc2c1c(=O)[nH]c(=O)n2C,CID5389891,,,,,,0.0,,,,,,,,,,,
CC(C)OCC(O)Cn1c(N2CCCC2)nc2c1c(=O)[nH]c(=O)n2C,CID652182,,0.0,,0.0,,,,,,,,,,,,,
Cc1cccc(NC(=O)CCC(=O)OCc2ccc(Br)cc2)c1,CID1295242,,,,,,,,,,,,,,,0.0,,
COc1ccc(NC(=O)CCC(=O)OCc2ccc(Br)cc2)cc1,CID1297481,,,,,,,,,,,,,,,0.0,,
O=C(CCC(=O)OCc1ccc(Cl)cc1)Nc1ccccc1,CID962040,,,,,,,,,,,,,,0.0,,,
COc1ccccc1NC(=O)CCC(=O)OCc1ccc(Br)cc1,CID1297873,,,,,,,,,,,,,,,0.0,,
Cc1ccc(NC(=O)CCC(=O)OCc2ccc(Br)cc2)cc1,CID1218343,,,,,,,,,,,,,,,0.0,,
COc1ccc(NC(=O)CCC(=O)OCc2ccc([N+](=O)[O-])cc2)cc1,CID1310146,,,,,,,,,,,,,,,0.0,,
CC(=O)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)C1c1cccc(O)c1,CID645552,,0.0,,,0.0,,0.0,0.0,0.0,,,0.0,0.0,,,,0.0
COc1cc(C2C(C(C)=O)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)ccc1O,CID646970,,,,0.0,0.0,,0.0,,,,,,,,,,
COc1ccc(C2C(C(C)=O)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1OC,CID3157600,,,,,,,,,0.0,,,0.0,,,,,
CC(=O)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)C1c1ccc(C)cc1,CID3157592,,,,,,,,,,,,,,,0.0,,
CC(=O)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)C1c1ccc(O)cc1,CID655134,0.0,,,0.0,0.0,,,0.0,,,,,,,,,
COc1cccc(C2C(C(C)=O)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)c1,CID3157593,,,,,,,,,0.0,,,,,,,,
O=C(CSc1nc(=O)c2c([nH]1)CCC2)Nc1cccc(Cl)c1,CID655218,0.0,0.0,,0.0,,,,,,,0.0,,,,,,
Cc1cccc(NC(=O)CSc2nc(=O)c3c([nH]2)CCC3)c1C,CID3239193,,,,0.0,0.0,,,,0.0,,0.0,,0.0,,,,
Cc1ccc(NC(=O)CSc2nc(=O)c3c([nH]2)CCC3)cc1C,CID3244131,,,,,0.0,,,,,,,0.0,,,,0.0,
CC(C)c1ccc(NC(=O)CSc2nc(=O)c3c([nH]2)CCC3)cc1,CID3244184,,0.0,,,0.0,,,,,,,,,,,,
COc1ccc(NC(=O)CSc2nc(=O)c3c([nH]2)CCC3)cc1OC,CID1462928,,,0.0,0.0,0.0,,,0.0,,,,,,,,0.0,
CCC(Sc1nc(=O)c2c([nH]1)CCC2)C(=O)Nc1cccc(OC)c1,CID3237435,,,0.0,0.0,0.0,,,,0.0,,,,,,,,
Cc1c(Cl)cccc1N(CC(=O)NC1CCCCC1)S(C)(=O)=O,CID1095106,0.0,0.0,,,0.0,,,,,0.0,,,0.0,,,,
COc1ccc([N+](=O)[O-])cc1N(CC(=O)NC1CCCCC1)S(C)(=O)=O,CID1294195,,,,,,,,,,,,,,,0.0,,
Cc1ccc(Cl)cc1N(CC(=O)NC1CCCCC1)S(C)(=O)=O,CID647018,0.0,0.0,,,0.0,,,,,,0.0,,0.0,,0.0,,0.0
COc1ccccc1N(CC(=O)NC1CCCCC1)S(C)(=O)=O,CID700539,,,0.0,0.0,,,0.0,,0.0,,,,,,,0.0,
CCOc1ccccc1N(CC(=O)NC1CCCCC1)S(C)(=O)=O,CID1354379,,,,0.0,,,,0.0,0.0,0.0,0.0,,,,,,
CS(=O)(=O)N(CC(=O)NC1CCCCC1)c1cccc(Cl)c1,CID846416,0.0,,0.0,,0.0,,,,,,,,,,,,0.0
Cc1cc(S(=O)(=O)Nc2cccc(O)c2)c(C)s1,CID1263106,,,,,,0.0,,,,0.0,,,0.0,0.0,,,
Cc1cc(S(=O)(=O)Nc2ccc(N(C)C)cc2)c(C)s1,CID1263335,,,,,,,,,0.0,,,,,0.0,0.0,,
COc1cccc(NS(=O)(=O)c2cc(C)sc2C)c1,CID1263332,,,,,0.0,,0.0,,0.0,0.0,0.0,,,0.0,,,
Cc1cc(S(=O)(=O)Nc2cc(C)c(O)c(C)c2)c(C)s1,CID1263189,,,,,,,,,,0.0,,,,0.0,0.0,,
CC(=O)Nc1ccc(NS(=O)(=O)c2cc(C)sc2C)cc1,CID715043,,,0.0,,0.0,0.0,0.0,,0.0,0.0,,,,0.0,0.0,,
Cc1cc(S(=O)(=O)Nc2cccc(Cl)c2)c(C)s1,CID718460,,,,,,,,,,,,,,0.0,0.0,,
CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1cccs1,CID2179207,,,,,,,,,,,,,,0.0,,,
COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1cccs1,CID2187911,,,,,,,,,,,,,,0.0,0.0,,
CCc1ccc(N2C(=O)/C(=C/c3cccs3)N(CC(=O)OC)C2=S)cc1,CID2186358,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(N2C(=O)/C(=C/c3cccs3)N(C)C2=S)cc1,CID2180088,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(N2C(=O)/C(=C/c3cccs3)N(CC(=O)OC)C2=S)cc1,CID2185984,,,,,,,,,,,,,,,0.0,,
CCc1ccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2CC(=O)OC)s1,CID1307500,,,,,,,,,,,,,,0.0,0.0,,
CCCCN(CC)CCCNC(=O)CC1Nc2ccccc2NC1=O,CID3241443,,,0.0,,,,,,0.0,,0.0,,,,,0.0,0.0
C=CCN1C(=O)C(C)(C)N(C(C)=O)c2ccccc21,CID763776,,,,,,,,0.0,,,,,,,,0.0,
CCCN(CCC)CCCNC(=O)CC1Nc2ccccc2NC1=O,CID3245655,0.0,0.0,,,,,0.0,0.0,,,,,,,0.0,0.0,
C=CCN1C(=O)C(C)(C)Nc2ccccc21,CID648713,,,,,,,,0.0,,,,,,0.0,,0.0,
O=C(O)CCCC(=O)N1CC(=O)Nc2ccccc21,CID644699,,,0.0,,,0.0,,,,0.0,,,,,,,0.0
CCCCNC(=O)CC1Nc2ccccc2NC1=O,CID2873401,,0.0,,0.0,,,0.0,0.0,,,,,,,,0.0,
CC(=O)Cc1nsc(NC(=O)c2ccc(-c3ccccc3Cl)o2)n1,CID1091697,0.0,0.0,0.0,0.0,0.0,,,,,,,0.0,,,,,0.0
CC(=O)Cc1nsc(NC(=O)c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)n1,CID1510913,,,,,0.0,,,,,,,,,,,0.0,0.0
CC(=O)Cc1nsc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)n1,CID1089138,0.0,,,,0.0,,,,,,,0.0,,,,,0.0
CC(=O)Cc1nsc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)n1,CID2088903,,,,,,,,,,,0.0,,,,,,
CC(=O)Cc1nsc(NC(=O)c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)n1,CID2227064,,,,,0.0,,,,,,,,,,,,
CC(=O)Cc1nsc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)n1,CID2147631,,,,,,,,,,,,,,,0.0,,
COCCCNC(=O)CCCn1c(=O)c2ccccc2n(CC(=O)Nc2c(C)cccc2C)c1=O,CID3243279,,,0.0,,,,0.0,0.0,,,,,,0.0,,,
COCCCNC(=O)CCn1c(=O)c2ccccc2n(CC(=O)Nc2cc(Cl)ccc2C)c1=O,CID3241470,,,,,,,,,0.0,,,,0.0,,,,
COCCCNC(=O)CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(C)cc2C)c1=O,CID3244474,,,,,,,,0.0,,0.0,,,0.0,,,,
COCCNC(=O)CCCn1c(=O)c2cc(OC)c(OC)cc2n(CC(=O)Nc2ccc(F)cc2)c1=O,CID15988023,,,,,,,,,,,,,,,0.0,,
COCCCNC(=O)CCn1c(=O)c2ccccc2n(CC(=O)Nc2c(C)cccc2C)c1=O,CID3237749,,,0.0,,,,,0.0,,,,,,,,,
COCCCNC(=O)CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2C)c1=O,CID3245702,,0.0,,,,,0.0,,,,,,,,,,
CCn1c(CCC(=O)Nc2cc(F)ccc2C)nc2cc(S(=O)(=O)N(C)C)ccc21,CID2999143,,0.0,,,0.0,,,,,,,,,,,0.0,
O=C(CCc1nc2ccccc2[nH]1)Nc1ccc(F)cc1,CID829926,,,,,,,,,,,,0.0,,,,,
O=C(CCc1nc2ccccc2[nH]1)Nc1ccccc1,CID3241245,,,,0.0,,,,,,,,,,,,0.0,
COc1ccc(NC(=O)CCc2nc3ccccc3[nH]2)cc1,CID16193706,,,,,,,,,,,,,,,0.0,,
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1cccc(C(F)(F)F)c1)n2CC,CID3387518,,,,,,,,,,0.0,,,,,,,
Cc1cc(C)cc(NC(=O)CCc2nc3ccccc3[nH]2)c1,CID11957173,,,,,,0.0,,,,,,,,,,,
CCOC(=O)N1CCN(CC(=O)Nc2c(C(=O)OC)[nH]c3ccc(Cl)cc23)CC1,CID659232,,0.0,,,,,0.0,,,,,,0.0,,,,
COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)CN1CCN(CCO)CC1,CID663387,,0.0,,,,,,,,,,,,,,,
CCOC(=O)N1CCN(CC(=O)Nc2c(C(=O)OC)[nH]c3cccc(Cl)c23)CC1,CID663755,,0.0,,,,,0.0,,,,,,,,,,
CCN1CCN(CC(=O)Nc2c(C(=O)OC)[nH]c3cccc(Cl)c23)CC1,CID664970,,,,,,,0.0,,,,,,,,0.0,0.0,0.0
CCOC(=O)N1CCN(CC(=O)Nc2c(C(=O)OC)[nH]c3ccccc23)CC1,CID659063,,,,,,,,0.0,,,,,,,,,
CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CN1CCN(C)CC1,CID662016,,0.0,,,,,,,,,,,0.0,,,,0.0
O=C(/C=C/c1ccccc1)NCCSc1ccc(Cl)cc1,CID2279079,,,,,,,,,,,,,,0.0,,,
O=C(/C=C/c1ccc(Cl)cc1)NCCSc1ccccc1,CID2174683,,,,,,,,,,,,,,0.0,,,
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCSc1ccccc1,CID2281810,,,,,,,,,,,,0.0,,0.0,,,
Cc1ccc(SCCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1,CID2284083,,,,,,,,,,,,,,0.0,,,
Cc1ccc(SCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1,CID2284730,,,,,,,,,,,,,,0.0,,,
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCSc1ccccc1,CID2184138,,,,,,,,,,,,0.0,,,,,
COC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1,CID752167,,0.0,,,,,0.0,,,,,,0.0,,0.0,,0.0
NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1,CID883433,,,,0.0,,,,,,,,0.0,,,0.0,,
O=C(O)c1cn(-c2ccccc2)nc1-c1cccnc1,CID752171,,,0.0,,,,,0.0,,,,,0.0,,,,
CCOC(=O)c1cc(-c2cccnc2)nn1-c1ccccc1C,CID2405912,,,,,,,,,,,,,,0.0,,,
OCc1cn(-c2ccccc2)nc1-c1cccnc1,CID740179,,0.0,0.0,,,,,0.0,,0.0,,,,,,,
CC(C)(C)OC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1cccnc1,CID2320156,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)c1ccc(Br)o1,CID661791,0.0,,,,,,,,,,,,,,,,0.0
O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)c1ccco1,CID1298299,0.0,,,,,,,,,,,,,,,,0.0
Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)c3ccco3)cc2Cl)CC1,CID1254565,0.0,,0.0,,,,,,,,,,,,,,0.0
O=C(Nc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1)c1ccc(Br)o1,CID1254467,0.0,,,,,,0.0,,,,,,,,,,0.0
O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)c1ccc(Br)o1,CID1253909,0.0,,,,,,,,0.0,,,,,,,,
Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(Br)o4)cc3)CC2)cc1,CID1293035,,,,,,,,,0.0,,0.0,,,,,,
Cc1cccc(NC(=O)c2ccc(-n3cccn3)c([N+](=O)[O-])c2)c1,CID1473828,,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccccc1Cl)c1ccc(-n2cccn2)c([N+](=O)[O-])c1,CID1473822,,,,,,,,,,,,,,,0.0,,
Cc1ccc(NC(=O)c2ccc(-n3cccn3)c([N+](=O)[O-])c2)cc1,CID1473826,,,,,,0.0,,,,,,0.0,,,0.0,,
Cc1cc(C)n(-c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)n1,CID2105246,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccc(NC(=O)c2ccc(-n3cccn3)c([N+](=O)[O-])c2)cc1C,CID1473832,,,,,,,,,,,,,,0.0,,,
COc1ccc(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)cc1OC,CID2119550,,,,,,,,,,0.0,,0.0,,,,,
CC1CCN(Cc2c(C#N)c3ccccc3n2C)CC1,CID646371,,,,,,,0.0,,,,,,,,,,
CCOC(=O)c1c(CN2CCCCC2)n(C)c2cc(Br)c(O)c(CN(C)C)c12,CID1124444,0.0,,,,,,,,,,,,,,,0.0,0.0
Cn1c(CN2CCC(C(N)=O)CC2)c(C#N)c2ccccc21,CID649356,,,,,,,0.0,,,,,0.0,,,,0.0,
Cn1c(CN2CCCCC2)c(C#N)c2ccccc21,CID661387,,,0.0,,,0.0,0.0,0.0,,0.0,,,,,,,
CCOC(=O)c1c(CN2CCCCC2)n(C)c2cc(Br)c(O)cc12,CID1124445,,,,,,,,,0.0,,0.0,,,,,,
CCOC(=O)c1c(CN2CCCCC2)n(C)c2cc(Br)c(OC)cc12,CID661478,0.0,,,,,,,,0.0,,0.0,0.0,,,,0.0,
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1cccnc1,CID2864330,,,,,,,,,0.0,,,,,,,,
CCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)C1c1cccnc1,CID2897594,,,,,0.0,0.0,,0.0,,,,,,,,,0.0
Cc1cc2c(cc1C)NC(c1cccnc1)C1=C(CC(C)(C)CC1=O)N2,CID2976344,,,,,,,,,,,,,,,,0.0,0.0
O=C1CCCC2=C1C(c1cccnc1)Nc1ccccc1N2,CID3586053,,0.0,,0.0,,,,,,,,,,,,0.0,
CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)C1c1cccnc1,CID2868777,,,,,,,,,,,,,,,0.0,,
CC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)C1c1cccnc1,CID2897350,,,0.0,0.0,0.0,,0.0,0.0,0.0,0.0,,,0.0,,,,
CCOC(=O)c1ccc(NC(=O)N2CCc3ccccc32)cc1,CID971721,,,,,0.0,,,0.0,0.0,0.0,,0.0,0.0,,,,
Cc1ccc(NC(=O)N2CCc3ccccc32)cc1,CID1225695,,,,,,,,,,,,0.0,,,,,
COc1ccc(NC(=O)N2CCc3ccccc32)cc1,CID894713,,,,,,,,,,,,0.0,,0.0,,,
O=C(Nc1ccccc1)N1CCc2ccccc21,CID746892,,,,,,,,,,0.0,,0.0,,,,,
COc1ccc(NC(=O)N2c3ccccc3CC2C)cc1OC,CID2955585,,,0.0,,0.0,,,0.0,,,,,,,,,0.0
COC(=O)c1ccccc1NC(=O)N1c2ccccc2CC1C,CID2955479,,,,,0.0,,,0.0,,,,,,,,,0.0
CC(=O)c1ccc(N2CCN(C(=O)c3cc4c(-c5ccccc5F)nn(C)c4s3)CC2)cc1,CID5308103,0.0,,,,,,,,,,0.0,,,,,0.0,0.0
COc1ccccc1N1CCN(C(=O)c2cc3c(-c4ccc(Cl)cc4)nn(C)c3s2)CC1,CID5308718,0.0,0.0,,,,0.0,0.0,,,,,,,,,,
COc1ccc(N2CCN(C(=O)c3cc4c(-c5ccc(Cl)cc5)nn(C)c4s3)CC2)cc1,CID5308689,0.0,,,,,,,,,,,,0.0,,,,
COc1cccc(-c2nn(C)c3sc(C(=O)N4CCN(c5ccccc5)CC4)cc23)c1,CID3245961,0.0,,,0.0,,,,,,,,,0.0,,,,
COc1ccc(N2CCN(C(=O)c3cc4c(-c5cccc(OC)c5)nn(C)c4s3)CC2)cc1,CID3238539,0.0,,0.0,,,,0.0,,,,,,,,,0.0,0.0
Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)N3CCN(c4ccccc4)CC3)sc21,CID5308860,0.0,0.0,,,,0.0,,,,,,,,,,,
Cc1ccc(NC(=O)c2nc[nH]c2C(=O)Nc2ccc(C)cc2)cc1,CID745568,,,,,,0.0,,,,,,,,,,,
COc1ccccc1NC(=O)c1nc[nH]c1C(=O)Nc1ccccc1OC,CID1104762,0.0,,0.0,,,,0.0,,,,,,,,,0.0,0.0
CCOc1ccccc1NC(=O)c1nc[nH]c1C(=O)Nc1ccccc1OCC,CID3244252,0.0,,,,,,,0.0,,,,,,,,0.0,0.0
COc1ccc(NC(=O)c2nc[nH]c2C(=O)Nc2ccccc2C)cc1,CID1504661,,,,,,,0.0,,,,0.0,,,,,,0.0
Cc1cccc(NC(=O)c2nc[nH]c2C(=O)Nc2ccccc2[N+](=O)[O-])c1,CID2945410,,,,,,,,,,,,,,0.0,,,
O=C(Nc1ccc([N+](=O)[O-])cc1)c1nc[nH]c1C(=O)Nc1ccc(F)cc1,CID2945381,,,,,,,,,,,,,,,0.0,,
COCCOc1ccc(C(F)(F)F)cc1NC(=O)COC(=O)c1c(C)noc1C,CID2568635,,,,,,,,,,,,,,,,,0.0
Cc1cc(NC(=O)COC(=O)c2c(C)noc2C)ccc1Br,CID2551262,,,,,,,,,,,,,,,0.0,,
Cc1noc(C)c1C(=O)OCC(=O)N(CCC#N)c1ccccc1,CID2539938,,,,,,,,,,,,,,0.0,,,
Cc1noc(C)c1C(=O)OCC(=O)Nc1cccc(S(N)(=O)=O)c1,CID4840688,,,,,,,,,,,,,,0.0,,,
COc1ccc(NC(=O)COC(=O)c2c(C)noc2C)c(OC)c1,CID2551219,,,,,,,,,,0.0,,,,,0.0,,
COc1ccc(C)cc1NC(=O)COC(=O)c1c(C)noc1C,CID2416758,,,,,,,,,,,,0.0,,,,,
OCC(CO)(CO)n1cnnn1,CID658470,,,,0.0,,,,,,,,,,,,,
Cn1nnnc1SCC(=O)NC(C)(C)C,CID645646,,,0.0,,,,,,,,0.0,,,,,,
CC(C)(C)NC(=O)CSc1nnnn1C(C)(C)C,CID714079,,,0.0,0.0,,,,,,,,0.0,,,,,
CCOC(=O)Cn1nnnc1C,CID1505264,,,,,,,,,,,,,,,0.0,,
CCCn1nnnc1SCC(=O)N(C(C)C)C(C)C,CID652193,,0.0,,0.0,,,,,,,,,,,,,
CNC(=O)CSc1nnnn1CCCOC,CID645068,,,,0.0,,,,,,,,,,,,,
CCOc1cccc(C(=O)Nc2nnc(-c3cccs3)s2)c1,CID878458,,,,,,0.0,,,0.0,0.0,0.0,,,0.0,,,
COc1cccc(OC)c1C(=O)Nc1nnc(-c2cccs2)s1,CID1451530,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)Nc2nnc(-c3cccs3)s2)cc1,CID3212603,,,,,,,,,,,,0.0,,,,,
COc1cccc(C(=O)Nc2nnc(-c3cccs3)s2)c1,CID1451529,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C(=O)Nc2nnc(-c3cccs3)s2)cc1C,CID659514,0.0,,,0.0,0.0,,,,,0.0,,,0.0,0.0,0.0,,
COc1cc(C(=O)Nc2nnc(-c3sccc3C)s2)cc(OC)c1OC,CID2948917,,,0.0,,0.0,,0.0,,0.0,0.0,1.0,,0.0,,,,
Cc1ccc(-c2nn3c(C)nnc3c3ccccc23)cc1S(=O)(=O)N(C)CCO,CID1945541,,,,,,0.0,,,,,,,,,,,
OCc1nnc2c3ccccc3c(-c3ccccc3)nn12,CID1975755,,,,,,,,,,,,,,0.0,0.0,,
Cc1nnc2c3ccccc3c(-c3ccccc3)nn12,CID272110,,0.0,,0.0,,,0.0,,,,,,,,,,
c1ccc(-c2nn3cnnc3c3ccccc23)cc1,CID97338,,,,,,,,,,,,,,,0.0,,
CC(=O)NCc1nnc2c3ccccc3c(-c3ccccc3)nn12,CID2035062,,,,,,,,,,,,,,0.0,,,
Cc1ccc(-c2nn3cnnc3c3ccccc23)cc1C,CID722485,,,,,,,,,,,,,,,0.0,,
COc1ccc(-c2nnc(SCC(=O)N(Cc3ccccc3)C(C)(C)C)o2)cc1OC,CID651780,0.0,,,,0.0,0.0,0.0,,,,,,0.0,,,,0.0
COc1cc(-c2nnc(SCC(=O)N(Cc3ccccc3)C(C)(C)C)o2)cc(OC)c1OC,CID648778,0.0,,0.0,,0.0,,,,,,0.0,,,,,,
COc1cc(OC)cc(-c2nnc(SCC(=O)N(Cc3ccccc3)C(C)(C)C)o2)c1,CID647616,0.0,0.0,0.0,,0.0,,0.0,,,,,,,,,,
COc1ccccc1-c1nnc(SCC(=O)NCc2c(C)c(Cl)cc(C(C)C)c2O)o1,CID1301492,0.0,,,0.0,0.0,,,,0.0,,,,,,,,
COc1ccc(-c2nnc(SCC(=O)NC(C)c3ccccc3)o2)cc1,CID2937741,0.0,,,,0.0,,0.0,,,,,,0.0,,,,0.0
COc1ccc(-c2nnc(SCC(=O)NC(C)c3ccccc3)o2)cc1OC,CID2922819,0.0,0.0,0.0,0.0,0.0,,0.0,,,,,,0.0,,,0.0,0.0
CCN(CC)S(=O)(=O)c1cccc(-c2n[nH]c(=S)n2Cc2ccccc2)c1,CID2346923,,,,,,,,,,,,,,,0.0,,
S=c1[nH]nc(-c2cccc(Cl)c2)n1Cc1ccccc1,CID800093,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccc(-c2n[nH]c(=S)n2Cc2ccccc2)cc1,CID934665,,,,,,,,,,,,,,0.0,0.0,,
S=c1[nH]nc(-c2ccccc2)n1Cc1ccccc1,CID660524,,,,0.0,,0.0,,,,,,,,,,0.0,
S=c1[nH]nc(-c2ccc(Cl)cc2)n1Cc1ccccc1,CID736584,,,,,,,,,,,,,,,0.0,,
S=c1[nH]nc(-c2ccccc2Cl)n1Cc1ccccc1,CID969842,,,,,,,,,,,,,,,0.0,,
COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)CN1CCc2cc(OC)c(OC)cc2C1,CID664938,0.0,0.0,,,,,,,,,,,,,,0.0,0.0
CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CN1CCc2cc(OC)c(OC)cc2C1,CID658777,,,,,,,,0.0,,,,,,,,,
COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CN1CCc2cc(OC)c(OC)cc2C1,CID659742,,,0.0,,,,,,,,,,,,,,
COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCc2cc(OC)c(OC)cc2C1,CID659350,0.0,,,0.0,,0.0,,,,,,,,,,,0.0
CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)C(C)N1CCc2cc(OC)c(OC)cc2C1,CID662125,,,,,,,,0.0,,,,,,,,0.0,
CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CN1CCc2ccccc2C1,CID1898140,,,,,,,,,0.0,,,0.0,,,,,
CCC1(C)COC2(OC1)C(=O)Nc1ccccc12,CID577292,,,,,,,,0.0,,0.0,,,,,,0.0,
COC(=O)CN1C(=O)C2(OCCCO2)c2ccccc21,CID658437,,0.0,,0.0,,,,,,,,,,,,,
CCOC(=O)CN1C(=O)C2(OCCCO2)c2ccccc21,CID3241636,,,,,,,,,,,,0.0,,,,,
O=C1Nc2ccccc2C12OCCCO2,CID653687,,0.0,,,,0.0,,,,,,,,,,0.0,
COC(=O)CN1C(=O)C2(OCCCO2)c2cc(Br)ccc21,CID658905,0.0,,,,,,,,,,,,,,,,0.0
O=C(O)CN1C(=O)C2(OCCCO2)c2ccccc21,CID3242136,,,,,,,0.0,,,,,,,,,,
COCCNC(=O)c1ccc(N2CCCCC2)c(NS(=O)(=O)c2ccc(C)cc2)c1,CID3244233,,,0.0,,,,,0.0,,,,,,,,,0.0
CCN(CC)CCCNC(=O)c1ccc(N2CCCCC2)c(NS(=O)(=O)c2ccc(C)cc2)c1,CID16194254,,,,,,,,,,,,,,,0.0,,
Cc1ccc(S(=O)(=O)Nc2cc(C(=O)O)ccc2N2CCCCC2)cc1,CID3242990,,,,,,,,0.0,,,,,,,,,0.0
Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCCN(C)C)ccc2N2CCCCC2)cc1,CID3243695,0.0,0.0,0.0,,0.0,,,0.0,,0.0,,,0.0,,,,0.0
COC(=O)c1ccc(N2CCCCC2)c(NS(=O)(=O)c2ccc(C)cc2)c1,CID4378086,,,,,,,,,,0.0,,,,,,,
CCN(CC)CCNC(=O)c1ccc(N2CCCCC2)c(NS(=O)(=O)c2ccc(C)cc2)c1,CID3238838,0.0,,0.0,,,,,0.0,,0.0,,,,,,,
COc1ccc2c(c1)[nH]c1c(=O)n(CCC3=CCCCC3)cnc12,CID936087,,,,,,,,,0.0,,,,,,,,
O=c1c2[nH]c3ccccc3c2ncn1CCC1=CCCCC1,CID658621,,,,,0.0,0.0,,,,,,,,,,0.0,
Cc1ccc2c(c1)[nH]c1c(=O)n(CCC3=CCCCC3)cnc12,CID1938883,,,,,,0.0,,,,,,0.0,,,,,
Cn1c2ccccc2c2ncn(CCC3=CCCCC3)c(=O)c21,CID667040,,0.0,,,,,,,,0.0,,,0.0,,,0.0,
Cc1ccc2c(c1)c1ncn(CCC3=CCCCC3)c(=O)c1n2C,CID666978,,,0.0,,,,,,,,,,0.0,,,,
Cc1ccc2[nH]c3c(=O)n(CCC4=CCCCC4)cnc3c2c1,CID915366,,,,,,,,,,,,0.0,,,,,
CC1CCN(S(=O)(=O)c2cccc(C(=O)NCc3ccco3)c2)CC1,CID1253137,,,,,,,,,,0.0,,,,0.0,,,
O=C(NCc1ccco1)c1cccc(S(=O)(=O)N2CCCCC2)c1,CID1262344,0.0,0.0,0.0,0.0,0.0,,,,0.0,0.0,,,,,,,
O=C(NCc1ccco1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1,CID1328065,,,,,,,,,,0.0,0.0,,,0.0,,,
Cc1ccc(C(=O)NCc2ccco2)cc1S(=O)(=O)N1CCCCC1,CID2335111,,0.0,,,0.0,,,,,0.0,,,,0.0,,,0.0
O=C(NCc1ccco1)c1ccc(Br)c(S(=O)(=O)N2CCCCC2)c1,CID1353457,0.0,,,,,,0.0,,0.0,,0.0,,,,,0.0,
O=C(NCc1ccco1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1,CID1217025,,,,,,,,,,,,,,0.0,,,
CC1(C)Cn2c(nnc2-c2cccc(O)c2)S1,CID664953,,0.0,,0.0,,,,0.0,,,,,0.0,,,,
CC(=O)Nc1cccc(-c2nnc3n2CC(C)S3)c1,CID2975715,,,,0.0,,,,,,0.0,0.0,,0.0,,,0.0,0.0
CC1(C)Cn2c(nnc2-c2ccccc2)S1,CID946523,,0.0,,,,,,,,,,,0.0,,0.0,0.0,0.0
CC1Cn2c(nnc2-c2ccc(F)cc2)S1,CID3988516,,,,,,,,,,,,,,,,0.0,
CC1Cn2c(nnc2-c2cccc(Cl)c2)S1,CID3439814,,,,,0.0,,,,,,,,,,,,
CC1Cn2c(nnc2-c2cccc(N)c2)S1,CID3949394,,,,,,,0.0,,,,,,,,,,
CCOc1ccccc1N(CC(=O)Nc1ccc2c(c1)OCCO2)S(C)(=O)=O,CID654373,,,,,,,,,,0.0,,,,,,0.0,
CCC(C)(C(=O)Nc1ccc2c(c1)OCCO2)N(C(C)=O)c1ccc(C(N)=O)cc1,CID3244657,0.0,0.0,,,,,,,,0.0,,,,,,,
COc1ccc(OC)c(N(CC(=O)Nc2ccc3c(c2)OCCO3)S(C)(=O)=O)c1,CID1076422,,,,0.0,,,,0.0,,,0.0,,,,,0.0,
COc1ccc(N(CC(=O)Nc2ccc3c(c2)OCCO3)S(C)(=O)=O)c(OC)c1,CID654199,,,,,,,,0.0,,,,,0.0,,,0.0,0.0
COc1ccccc1N(CC(=O)Nc1ccc2c(c1)OCCO2)S(C)(=O)=O,CID655700,,,0.0,,,,,0.0,,,,,0.0,,,0.0,
COc1ccc(Cl)cc1N(CC(=O)Nc1ccc2c(c1)OCCO2)S(C)(=O)=O,CID1075818,0.0,,,0.0,,,,,,,,0.0,0.0,,,,
Cc1ccc(OCC(=O)N2CCc3ccccc3C2)cc1,CID2268095,,,,,,0.0,,,,,,,,,,,
COc1cc2c(cc1OC)CN(C(=O)COc1ccc(C#N)cc1)CC2,CID2090699,0.0,,,,,,0.0,,,,0.0,,0.0,,,,0.0
COc1cc2c(cc1OC)CN(C(=O)COc1ccc(C)c(C)c1)CC2,CID666490,,,,,,,,,,0.0,,,,,,,
CCC(=O)c1ccc(OCC(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1,CID2090702,,,0.0,,,,,0.0,,0.0,,,,,0.0,,
O=C(COc1ccccc1)N1CCc2ccccc2C1,CID879314,,,,,,,,,,,,,0.0,,,0.0,
COc1ccc(OC(C)C(=O)N2CCc3ccccc3C2)cc1,CID2953313,,,,,,,0.0,,,,0.0,,,,,,
CCCCc1nc2c(=O)[nH]c3ccccc3c2o1,CID3236939,0.0,,,,,,,0.0,,,,,,,,,
CCCCCc1nc2c(=O)n(C)c3ccccc3c2o1,CID3237789,,,,,,,,,,,,,,,0.0,,
CCCCCCc1nc2c(=O)[nH]c3ccccc3c2o1,CID653147,,,0.0,,,,,0.0,,,,,,,,0.0,
CCCCCc1nc2c(=O)[nH]c3ccccc3c2o1,CID3236389,,,,,,,,0.0,,,,,,,,,
CCCc1nc2c(=O)[nH]c3ccccc3c2o1,CID608301,,,,,,0.0,0.0,,,,,,,,,,
CCCCCCCc1nc2c(=O)n(C)c3ccccc3c2o1,CID4625749,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-n2c(=O)c3c4c(sc3n3c(C)nnc23)COC(C(C)C)C4)cc1,CID659668,0.0,,,,,,,0.0,,,0.0,,,,,,
COc1ccc(-n2c(=O)c3c4c(sc3n3c(C)nnc23)COC(C(C)C)C4)cc1,CID2947258,,,,,,,,0.0,,,0.0,,0.0,,,,
Cc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)COC(C)(C)C4,CID657987,0.0,0.0,,,,,,,,,0.0,,,,,,
Cc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)COC(C(C)C)C4,CID659649,0.0,,,0.0,,,0.0,0.0,,0.0,0.0,,,0.0,,,
CSc1nnc2n(-c3ccc(C)cc3)c(=O)c3c4c(sc3n12)COC(C(C)C)C4,CID3820099,0.0,,,0.0,,,,,,,,,,,,,
CC(C)C1Cc2c(sc3c2c(=O)n(-c2ccccc2)c2nncn32)CO1,CID659685,,0.0,,,,,,,,,0.0,,,,,,
COc1ccccc1NC(=O)Cc1coc2cc(C)ccc12,CID2599354,,,,,,0.0,,,,,,0.0,,,0.0,,
COC(=O)c1cccc(NC(=O)Cc2coc3cc(OC)ccc23)c1,CID2676408,,,,0.0,,,,0.0,,,,,,,,,
COC(=O)c1cc(NC(=O)Cc2coc3cc(OC)ccc23)cc(C(=O)OC)c1,CID2552899,0.0,,,0.0,,,,,,,,,,,0.0,,
CCOc1ccccc1NC(=O)Cc1coc2cc(C)ccc12,CID2590975,,,,,,,,,,,0.0,,,,,,
COC(=O)c1ccc(C)c(NC(=O)Cc2coc3cc(OC)ccc23)c1,CID2673208,,,0.0,,,,,,,,,,,,,0.0,
COc1ccc(OC)c(NC(=O)Cc2coc3ccc(C)cc23)c1,CID1252423,,,0.0,,,,,,,,0.0,,,,,,
COCCNC(=O)CN1CCC(NC(=O)c2ccco2)CC1,CID3221020,,,,,,,,,,,,,,,0.0,,
CCOCCCNC(=S)N1CCC(NC(=O)c2ccco2)CC1,CID3218567,,,,,,,,,,,,,,,0.0,,
C=CCNC(=O)CN1CCC(NC(=O)c2ccco2)CC1,CID3220786,,,,,,,,,,,,,,,0.0,,
CCNC(=S)N1CCC(NC(=O)c2ccco2)CC1,CID3218525,,,,,,,,,,,,,,0.0,,,
CCS(=O)(=O)N1CCC(NC(=O)c2ccco2)CC1,CID645613,,,0.0,,,,0.0,,,,,,0.0,,,,
CC(C)CNC(=S)N1CCC(NC(=O)c2ccco2)CC1,CID3218535,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)c1cccc(OC)c1,CID1930993,,,,,,0.0,,,0.0,,,0.0,,,,,
COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)c1cccc(OC)c1,CID660254,0.0,,,,,,,,,,,0.0,,,,,
COC(=O)c1[nH]c2ccccc2c1NC(=O)c1ccccc1[N+](=O)[O-],CID3468758,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1,CID2157358,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)c1cc(OC)c(OC)c(OC)c1,CID660339,,,0.0,,,,,0.0,,0.0,,,,,,,
CCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1cc(OC)c(OC)c(OC)c1,CID661244,,,,,,,,0.0,,,,,,,,,
CCS(=O)(=O)Nc1cccc(C2=NN(C(C)=O)C(c3cccs3)C2)c1,CID2963394,,,,,,,,,,,,,,0.0,,,
CS(=O)(=O)N1N=C(c2ccc(Cl)cc2)CC1c1cccs1,CID2952112,,,,,,,,,0.0,,,,,,,,
COc1ccc(C2=NN(C(=O)CCC(=O)O)C(c3cccs3)C2)cc1,CID2888110,,,,,,,,,,,,,,0.0,,,
CCc1ccc(C2=NN(S(C)(=O)=O)C(c3cccs3)C2)cc1,CID2953135,,,,,,0.0,,,0.0,,0.0,,,,,,
CS(=O)(=O)Nc1ccc(C2=NN(S(C)(=O)=O)C(c3cccs3)C2)cc1,CID4134680,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C2=NN(S(C)(=O)=O)C(c3cccs3)C2)cc1,CID4311525,,,,,,0.0,,,,,,,,,,,
Cc1c(-c2ccc(F)cc2)nc(N)c(C#N)c1-c1ccco1,CID663019,,,0.0,0.0,,,0.0,,,0.0,,0.0,,0.0,,,
Cc1c(-c2ccccc2)nc(N)c(C#N)c1-c1ccco1,CID662848,,,,,,,,0.0,,,,0.0,,,,,
COC(=O)CSc1nc(-c2ccccc2)cc(-c2ccco2)c1C#N,CID658573,0.0,,,0.0,0.0,,0.0,0.0,,0.0,0.0,,,,,0.0,0.0
Cc1ccc(-c2cc(-c3ccc(F)cc3)nc(N)c2C#N)o1,CID665592,0.0,,,0.0,,,,,,,,0.0,,,,,
N#Cc1c(-c2ccco2)cc(-c2ccc(F)cc2)nc1N,CID644466,,,,,,,,0.0,,0.0,,,,,,,
Cc1ccc(-c2c(C)c(-c3ccc(F)cc3)nc(N)c2C#N)o1,CID665521,,,0.0,,,,,0.0,,,,,,,,,
O=C(N/N=C/c1cc(Br)cs1)c1ccccc1[N+](=O)[O-],CID1371131,,,,,,,,,,,,,,0.0,,,
COc1ccccc1C(=O)N/N=C/c1ccc(Cl)s1,CID840528,,,,,,,,,,,,,,0.0,,,
C/C(=N\NC(=O)c1ccccc1O)c1ccc(Br)s1,CID825578,,,,,,,,,,,,,,0.0,,,
C/C(=N\NC(=O)c1cc(Br)ccc1O)c1cccs1,CID770938,,,,,,,,,,,,,,0.0,,,
COc1cc(C(=O)N/N=C/c2sccc2C)cc(OC)c1OC,CID909414,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1C(=O)N/N=C/c1ccc([N+](=O)[O-])s1,CID785642,,,,,,,,,0.0,,,,,,,,
Cc1ccc(C(=O)Nc2sc3c(c2C(=O)O)CCCCC3)o1,CID675358,,,,,,,0.0,0.0,,,,0.0,,,0.0,,
COC(=O)c1c(NC(=O)c2ccc(C)o2)sc2c1CCCCC2,CID898280,0.0,,0.0,,,,,,,,,,,0.0,,,
CN(C)C(=O)c1c(NC(=O)c2ccco2)sc2c1CCCCC2,CID2853983,,,,,,0.0,,,,,0.0,,,0.0,,,
O=C(Nc1sc2c(c1C(=O)O)CCCCC2)c1ccco1,CID738735,,,,,,,,,0.0,,,,,,,0.0,
CCOC(=O)c1c(NC(=O)c2ccco2)sc2c1CCCCC2,CID673766,0.0,,,,,0.0,,0.0,,,,,,,,,
CC(C)OC(=O)c1c(NC(=O)c2ccco2)sc2c1CCCCC2,CID895943,,,,,,,,,,,,,,0.0,,,
Cc1c(Cl)ccc(S(=O)(=O)N2CCN=C2c2ccccc2)c1Cl,CID991871,,,,,,,,,,,,,,0.0,,,
COc1cc(C)c(S(=O)(=O)N2CCN=C2c2ccccc2)cc1C,CID972070,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)c(S(=O)(=O)N2CCN=C2c2ccccc2)c(C)c1,CID971643,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)N2CCN=C2c2ccccc2)cc1C,CID850089,,,,,,,,,,,,0.0,,0.0,,,
Cc1cc(C)c(S(=O)(=O)N2CCN=C2c2ccccc2)cc1C,CID978193,,,,,,,,,,,,,,,0.0,,
Cc1cc(S(=O)(=O)N2CCN=C2c2ccccc2)ccc1F,CID2957725,,,,,,,,,,,,,,,0.0,,
COc1cc(NS(=O)(=O)c2ccc(Cl)cc2)c(OC)cc1NC(=O)c1ccco1,CID644978,0.0,,,0.0,,,,,0.0,,,0.0,0.0,,,0.0,
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1,CID1301551,,,0.0,,0.0,,,,,,,,,,,0.0,0.0
COc1cc(NS(=O)(=O)c2ccc(Br)cc2)c(OC)cc1NC(=O)c1ccco1,CID650492,,,,,,,,,0.0,,0.0,,,,0.0,0.0,
CCOc1cc(NS(=O)(=O)c2ccccc2)c(OCC)cc1NC(=O)c1ccco1,CID1138785,,,,,,,,,,0.0,0.0,,,,,,
CCOc1cc(NS(=O)(=O)c2ccc(OC)cc2)c(OCC)cc1NC(=O)c1ccco1,CID1138761,,,,,,,,,,0.0,0.0,,,,,,
COc1ccc(S(=O)(=O)Nc2cc(OC)c(NC(=O)c3ccco3)cc2OC)cc1,CID648355,,0.0,,0.0,0.0,,,0.0,,0.0,0.0,,0.0,,0.0,,0.0
C=CCN1C(=O)CC(C(=O)NC)S/C1=N\c1ccc(C(=O)OCC)cc1,CID660286,,,0.0,0.0,0.0,,,0.0,0.0,,,,,,,0.0,
CCN1C(=O)CC(C(=O)O)S/C1=N\c1ccc(OC)cc1,CID646010,,,,,,,0.0,0.0,0.0,,,,,,,0.0,
CN1C(=O)CC(C(=O)O)S/C1=N\c1cccc(C(F)(F)F)c1,CID650591,0.0,,,,0.0,,,0.0,,,,,,,,,0.0
CCOc1ccc(/N=C2\SC(C(=O)O)CC(=O)N2C)cc1,CID652143,,,,0.0,,,,0.0,0.0,,0.0,,,,,,
COc1ccc(/N=C2\SC(C(=O)O)CC(=O)N2C)cc1,CID2877666,,,0.0,0.0,,,,,,,,,,,,,
CCN1C(=O)CC(C(=O)NC)S/C1=N\c1cc(Cl)c(O)c(Cl)c1,CID647034,,,,,,,0.0,,,,,,0.0,,,,
N#Cc1ccc(CSc2nnc(Nc3ccccc3)s2)cc1,CID2088994,0.0,,,0.0,0.0,0.0,0.0,,0.0,0.0,0.0,,,,0.0,,
Cc1ccc(CSc2nnc(Nc3ccc(C)cc3)s2)cc1,CID1301810,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(C)=O)cc1CSc1nnc(Nc2ccccc2)s1,CID2126594,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccc(Nc2nnc(SCc3ccccc3)s2)cc1,CID1238844,,,,,,,,,,0.0,,,,,,,
COc1ccc(C(C)=O)cc1CSc1nnc(Nc2ccc(C)cc2)s1,CID2488617,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(C)=O)cc1CSc1nnc(Nc2ccc(C)cc2C)s1,CID2432412,,,,,,,,,,,,,,,0.0,,
O=C1OC(Nc2ccc(F)cc2F)c2ccccc21,CID654909,,,,,,,,,,,,,,0.0,,,0.0
CCOC(=O)c1ccccc1NC1OC(=O)c2ccccc21,CID654852,,,,,,,,0.0,,,,,0.0,,,0.0,0.0
O=C1OC(Nc2ccc(Br)cc2F)c2ccccc21,CID661454,0.0,,,,,,,,0.0,,,0.0,,,0.0,0.0,0.0
COc1ccc2c(c1OC)C(=O)OC2Nc1ccccc1S(=O)(=O)C(F)F,CID663412,,,,0.0,,,,,,,,,,,,,0.0
CCOC(=O)c1ccc(NC2OC(=O)c3ccccc32)cc1,CID649628,,,,,,,0.0,0.0,,,,,,,0.0,0.0,0.0
COC(=O)c1ccccc1NC1OC(=O)c2ccccc21,CID646283,,,,,,,0.0,,0.0,,,,0.0,,,0.0,0.0
CCCCCCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCOCC1,CID663174,,,,,,0.0,,,,,,,0.0,,,,
CCCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CC(C)OC(C)C1,CID659504,,0.0,,,,,0.0,,,,,,,,,,
CCCCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCOCC1,CID659515,,,,,,,,0.0,,,,,,,,,
CCCNC(=O)COc1nc2ccccc2nc1N1CCOCC1,CID2482544,,,,,,,,,,,,,,0.0,0.0,,
CCCCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCOCC1,CID660549,,,0.0,,,,,,,,,,,,0.0,,
c1ccc2nc(N3CCOCC3)cnc2c1,CID2764829,,,,,,,,,,,,,,,0.0,,
CCOC(=O)Cc1csc(NC(=O)CSc2nnc(-c3ccc(C)cc3)o2)n1,CID656275,0.0,,,,0.0,0.0,0.0,,0.0,0.0,0.0,,0.0,,,0.0,0.0
Cc1csc(NC(=O)CSc2nnc(-c3ccccc3)o2)n1,CID2476992,,,,,,0.0,,,0.0,,0.0,,,0.0,0.0,,
Cc1cnc(NC(=O)CSc2nnc(-c3ccccc3)o2)s1,CID663592,,0.0,0.0,0.0,0.0,,,,0.0,0.0,0.0,,0.0,0.0,,,
CCOC(=O)Cc1csc(NC(=O)CSc2nnc(-c3ccc(NS(=O)(=O)CC)cc3)o2)n1,CID3201450,,,,,,,,,,,,0.0,,,,,
CCOC(=O)Cc1csc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)n1,CID653271,0.0,,,,0.0,,,,,,0.0,,,0.0,,0.0,0.0
CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)Nc3nc(C)cs3)o2)cc1,CID649577,,,,,0.0,,,,,,,,,,,,
CCOC(=O)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1,CID2917197,,,0.0,0.0,,,,,0.0,,,,,,,0.0,
CC1CCCCN1S(=O)(=O)c1cccc2cccnc12,CID4522106,,0.0,,,,,,,,,,,,,,,
CC(C)(C)NC(=O)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1,CID4620051,,,,,,,0.0,0.0,,,,,0.0,,,0.0,
CC1CC(C)CN(S(=O)(=O)c2cccc3cccnc23)C1,CID3684206,,,,,,,,0.0,,,,,,,,,
O=C(O)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1,CID3590647,,,,,,,,0.0,,,,,0.0,,,,
CCC(C)NC(=O)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1,CID5308863,,,,,,,0.0,,,,,,0.0,,,0.0,
CC(=O)c1ccc(N2CCN(C(=O)C3CCCN(S(=O)(=O)c4cnc[nH]4)C3)CC2)cc1,CID3241585,,,0.0,,,,,0.0,,,,,,,0.0,0.0,0.0
COc1cccc(N2CCN(C(=O)C3CCCN(S(=O)(=O)c4cnc[nH]4)C3)CC2)c1,CID5309632,,,,,,,,0.0,,,,,,,,0.0,
O=C(C1CCCN(S(=O)(=O)c2cnc[nH]2)C1)N1CCN(c2ccc(Cl)cc2)CC1,CID5308684,0.0,,,,,,,,,,,,,,,,
Cc1ccc(Cl)cc1N1CCN(C(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)CC1,CID5308686,0.0,,0.0,,,,,,,,,,,,,,
Cc1cccc(N2CCN(C(=O)C3CCCN(S(=O)(=O)c4cnc[nH]4)C3)CC2C)c1,CID3239840,0.0,,0.0,,,,,,,,,,0.0,,,,0.0
Cc1ccc(C)c(N2CCN(C(=O)C3CCCN(S(=O)(=O)c4cnc[nH]4)C3)CC2)c1,CID5309172,,,,,,,,,,,,,,,,0.0,
CC(=O)C(C#N)=C1Nc2ccccc2N1,CID5389934,,,0.0,,,0.0,,,,,0.0,,,,,,
CCCCS(=O)(=O)C(=C1Nc2ccccc2N1)S(=O)(=O)CCCC,CID649568,,,0.0,,0.0,,0.0,,,0.0,,,,,0.0,0.0,
CC(C)(C)C(=O)C(C#N)=C1Nc2ccccc2N1,CID5398631,,,,,,,0.0,0.0,,,,,,,,,
N#CC(C(=O)CCl)=C1Nc2ccccc2N1,CID5679707,,,,,,,,,,,,,,,0.0,,
CCCS(=O)(=O)C(=C1Nc2ccccc2N1)S(=O)(=O)CCC,CID3238101,,,0.0,,0.0,,,,,0.0,,,,,,,
Cc1ccc2c(c1)N/C(=C(\C#N)N=O)N2,CID5374244,,,,,,,,0.0,,,0.0,,,,,,
CNc1nc(C)c(C(=O)c2ccc(Cl)cc2)s1,CID851893,,,,,,,,,,,,,,0.0,,,
CCOC(=O)Nc1nc(C)c(C(=O)c2ccc(Cl)cc2)s1,CID851895,,,,,,,,,,,,0.0,,0.0,,,
COc1cccc(C(=O)c2sc(NC(C)C)nc2N)c1,CID660516,,,,,0.0,,0.0,0.0,,,,,,0.0,,,
CNc1ncc(C(=O)c2ccccc2)s1,CID1485902,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(=O)c2sc(NC(C)C)nc2N)cc1OC,CID660396,,,,,0.0,,0.0,,,,0.0,0.0,,,,0.0,
CNc1ncc(C(=O)c2ccc(Br)cc2)s1,CID1482554,,,,,,,,,,,,,,0.0,0.0,,
CC1(C)NC(=O)N(CCCCOc2ccc(Cl)cc2C=O)C1=O,CID2216509,,,,,,,,,,,,,,,0.0,,
C/C=C/c1ccc(OCCCCN2C(=O)NC(C)(C)C2=O)c(OC)c1,CID2216567,,,,0.0,,,,,0.0,,,,0.0,,,,
CC1(C)NC(=O)N(CCCCOc2cccc(C(F)(F)F)c2)C1=O,CID2215972,,,,,,,,,0.0,,,,,,,,0.0
Cc1cc(OCCCCN2C(=O)NC(C)(C)C2=O)ccc1[N+](=O)[O-],CID2216374,,,,,,,,,,,,,,,0.0,,
CC1(C)NC(=O)N(CCCCOc2ccc(Cl)cc2)C1=O,CID2199845,,,,,,,,,,0.0,,,,,,,
CCC(C)Oc1cccc(OCCCCN2C(=O)NC(C)(C)C2=O)c1,CID2960897,,,,0.0,,,,,0.0,,0.0,,,,,,
CCOC(=O)c1cccc(NC(=O)CCc2c(C)nc3ncnn3c2C)c1,CID3240080,,0.0,0.0,,,0.0,,,,,,,,,,,
COC(=O)c1cc(NC(=O)CCc2c(C)nc3ncnn3c2C)cc(C(=O)OC)c1,CID3235872,,0.0,,,,,,,,,,,,,,,
COC(=O)c1ccc(NC(=O)CCc2c(C)nc3ncnn3c2C)cc1,CID3236463,,0.0,,,,,0.0,,,0.0,,,,,,,0.0
CC(=O)c1ccc(NC(=O)CCc2c(C)nc3ncnn3c2C)cc1,CID3239754,,0.0,0.0,0.0,,,,,,,,,,,,,
CCOC(=O)c1ccc(NC(=O)CCc2c(C)nc3ncnn3c2C)cc1,CID3242774,,0.0,,,,,,,,,,,,,,,
Cc1ccc(NC(=O)CCc2c(C)nc3ncnn3c2C)cc1,CID3240506,,0.0,,,,0.0,,0.0,,,,0.0,,,,,
Cc1ccc(-c2cc(C(=O)N3CCc4ccccc4C3)no2)cc1,CID1093796,,,,,,,,,,,,,,,0.0,,
COc1cccc(-c2cc(C(=O)N3CCc4ccccc4C3)no2)c1,CID3240702,0.0,,0.0,,,,,,0.0,,,,,,,,0.0
COc1ccc(-c2cc(C(=O)N3CCc4ccccc4C3)no2)cc1OC,CID3242756,0.0,,,,,,,,0.0,,,,0.0,,,,
O=C(c1cc(-c2cccc(O)c2)on1)N1CCc2ccccc2C1,CID5308837,0.0,0.0,,,,,,0.0,,,,,,,,,
COc1ccc(OC)c(-c2cc(C(=O)N3CCc4ccccc4C3)no2)c1,CID3243860,0.0,,,,,0.0,,0.0,,,,,,,,,
O=C(c1cc(-c2ccccc2)on1)N1CCc2ccccc2C1,CID973876,,,,,,,,,,,,,,0.0,,,
CCN(CC)CCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3,CID3239233,,0.0,,,,,0.0,,,,,,,,,0.0,
CCCCNC(=O)CCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3,CID3235727,,,0.0,,,,,,,,,,,,,0.0,
CC(C)OCCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3,CID3240028,,0.0,,,,,,0.0,,0.0,,,,,,,0.0
CCN(CC)CCNC(=O)CCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3,CID3236578,,,0.0,,,,,,,,,,,,,,
CC(C)NC(=O)CCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3,CID3236311,,,,,,,0.0,,,,0.0,,,,,0.0,
CCOCCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3,CID3235690,,,,,,,0.0,,,,,,,,0.0,,
COc1ccc(C(=O)CSc2nnc(C(CO)NC(=O)c3ccc(OC)cc3)n2C)cc1,CID2977461,,,0.0,,0.0,,,0.0,0.0,,0.0,,0.0,,,,0.0
COc1ccc(C(=O)CSc2nnc(CNC(=O)c3ccc(OC)cc3)n2C)cc1,CID2227731,0.0,,,,0.0,,,,,,0.0,,0.0,,,0.0,0.0
CCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)c1ccccc1,CID2243534,,,0.0,,,,,,,,0.0,,0.0,,,0.0,0.0
COc1ccc(C(=O)CSc2nnc(CNC(=O)c3ccc(OC)c(OC)c3)n2C)cc1,CID2233251,,,,,0.0,,,0.0,,,,,,,,0.0,
CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1C(C)NC(=O)c1ccc(OC)cc1,CID2976947,,,0.0,,0.0,,,,,,,,,,,0.0,0.0
CCn1c(CNC(=O)c2ccc(OC)c(OC)c2)nnc1SCC(=O)c1ccc(OC)cc1,CID1262670,,,,,0.0,,,0.0,,,,,,,,0.0,0.0
CCOCCNC(=O)c1ccc2c3c(cccc13)CC2,CID2195469,,,,,,0.0,,,,,,,,,,,
CC(C)(C)NC(=O)c1ccc2c3c(cccc13)CC2,CID892222,,,,,,,,,,,,,,0.0,,,
CS(=O)(=O)Nc1ccc2c3c(cccc13)CC2,CID720585,,,,0.0,0.0,,0.0,,0.0,,,0.0,0.0,,,,
CC(C)CC(=O)Nc1ccc2c3c(cccc13)CC2,CID884076,,,,,,,,,,,,,,0.0,,,
CC(=O)c1ccc2c3c(ccc(O)c13)CC2,CID749958,,,,,,,,,,,,,,,,0.0,
Nc1ccc2c3c(cccc13)CC2,CID62547,,,,0.0,,,,,,,,0.0,,,,0.0,
CCOc1ccc(Cc2nn[nH]n2)cc1,CID654997,,0.0,,,,,,0.0,,,,0.0,,,,,
COc1ccc(Cc2nn[nH]n2)cc1,CID793264,,,,,,,,,,,,0.0,,,,,
c1ccc(Cc2nn[nH]n2)cc1,CID223451,,,,0.0,,,,,,,,,,,,,
Clc1cccc(Cc2nn[nH]n2)c1,CID1419115,,,,,,,,,,,,,,0.0,,,
COc1ccc(Cc2nnn(CC(=O)O)n2)cc1,CID746025,,,,,,,,,,0.0,,,,,,0.0,
CCCOc1ccc(Cc2nn[nH]n2)cc1,CID657685,,,0.0,,,,,,,,,,,,,,
CCOC(=O)c1ccc(N2C(=O)CC(N3CCC(C#N)(c4ccccc4)CC3)C2=O)cc1,CID2949496,,0.0,,,0.0,,0.0,0.0,0.0,,,,0.0,,,,0.0
COC(=O)c1ccc(N2C(=O)CC(N3CCC(O)(c4ccc(Br)cc4)CC3)C2=O)cc1,CID2936647,,,,,,,,,0.0,,,,,,,,
COc1ccc(N2C(=O)CC(N3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)C2=O)cc1,CID661745,,,,,,,,,,,,,,,,,0.0
CCOc1ccc(N2C(=O)CC(N3CCC(O)(c4ccc(Br)cc4)CC3)C2=O)cc1,CID2884671,,,,,,,,,0.0,,0.0,,,,,,
CCOC(=O)c1ccc(N2C(=O)CC(N3CCC(O)(c4ccc(Cl)cc4)CC3)C2=O)cc1,CID2950491,,,,,,,0.0,,,,,,,,,,
CCCOc1ccc(N2C(=O)CC(N3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)C2=O)cc1,CID2882226,,,,,,,,,,,,,,,,,0.0
N#CCCN1CCN(C(=S)c2ccc(-c3ccc(Cl)cc3)o2)CC1,CID650965,0.0,,0.0,0.0,,,,,,,,0.0,,,,,0.0
N#CCCN1CCN(C(=S)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)CC1,CID647949,0.0,0.0,0.0,,,,,,,,,,,,,,
N#CCCN1CCN(C(=S)c2ccc(-c3cc(Cl)ccc3Cl)o2)CC1,CID647514,0.0,,,,,0.0,,,,,,,,,,,
CC(=O)N1CCN(C(=S)c2ccc(-c3ccc(Cl)cc3)o2)CC1,CID939860,,,,,,0.0,,,,,,,,,0.0,,
COc1ccc(-c2ccc(C(=S)N3CCN(C(C)=O)CC3)o2)cc1,CID3236352,0.0,0.0,0.0,,,,,0.0,,0.0,0.0,,,,,,
N#CCCN1CCN(C(=S)c2ccc(-c3cccc(Cl)c3)o2)CC1,CID2291818,0.0,,0.0,0.0,0.0,0.0,,,,0.0,,,0.0,,0.0,,0.0
CCOC(=O)N1CCC(N2C(=O)c3ccccc3C2Nc2cc(Cl)c(OC)cc2OC)CC1,CID5307391,0.0,,0.0,,,,,,,,,,,,,0.0,
CCOC(=O)N1CCC(N2C(=O)c3ccccc3C2Nc2ccccc2)CC1,CID9550872,,,,,,,,,,,0.0,,,,,,
CCOC(=O)N1CCC(N2C(=O)c3ccccc3C2Nc2cc(C(=O)OC)cc(C(=O)OC)c2)CC1,CID5309161,,,,,,,,0.0,,,,,,,,,
CCOC(=O)N1CCC(N2C(=O)c3ccccc3C2Nc2ccc(C)cc2)CC1,CID9550456,,,,,,,,,,,,0.0,,,,,
CCOC(=O)N1CCC(N2C(=O)c3ccccc3C2Nc2cc(OC)c(OC)c(OC)c2)CC1,CID5309350,,,,,,,,0.0,,,,,,,,,
CCOC(=O)N1CCC(N2C(=O)c3ccccc3C2Nc2ccc(S(=O)(=O)N(CC)CC)cc2)CC1,CID16194417,,,,,,,,,,,,,,0.0,,,
COc1cccc(C(=O)NCC(=O)OCc2ccc(F)cc2Cl)c1,CID2092705,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)NCC(=O)OCc2ccc(Br)cc2)cc1,CID1313393,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)NCC(=O)OCc2cccc(Br)c2)cc1,CID2231792,,,,,,,,,,,,0.0,,,0.0,,
CCOc1ccc(C(=O)NCC(=O)OCc2cc(C(C)=O)ccc2OC)cc1,CID2417654,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)NCC(=O)OCc2ccc([N+](=O)[O-])cc2)cc1,CID894894,,,,,,,,,,,,,,,0.0,,
O=C(CNC(=O)c1ccccc1)OCc1cccc(Br)c1,CID733925,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(CC(=O)N2CCOCC2)C(C)C)cc1,CID661507,,,,,,,,0.0,,,,,,,,,
COc1ccc(CCC(=O)N2CC(C)OC(C)C2)cc1,CID3246757,,,,0.0,,,,0.0,,,,,,,,,0.0
CC(C)CNS(=O)(=O)c1ccc(CCC(=O)N2CCOCC2)cc1,CID1287984,,,,,,,,0.0,,,0.0,,0.0,,,,
CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)N2CCOCC2)cc1,CID651639,,,,,,,0.0,,0.0,,,,0.0,,,0.0,
CCCNS(=O)(=O)c1ccc(CCC(=O)N2CCOCC2)cc1,CID654827,,,,0.0,,,,0.0,0.0,,,,,,,,
CC(C)NS(=O)(=O)c1ccc(CCC(=O)N2CCOCC2)cc1,CID970201,,,,0.0,,,,,0.0,,,,0.0,,,0.0,
CC(C)Nc1nc(NC(C)C)nc(N(C#N)CCOc2ccc(Cl)cc2Cl)n1,CID1116953,,,,,,,,,,,,0.0,,,,,
CC(C)Nc1nc(Cl)nc(NCCOc2ccccc2)n1,CID1929027,,,,,,,,,,,,,,,0.0,,
CCNc1nc(NC(C)C)nc(N(C#N)CCOc2ccc(Cl)cc2Cl)n1,CID1116954,0.0,,,,,,,,,,,,,,,,
CN(C)c1nc(Cl)nc(NCCOc2ccccc2)n1,CID1730397,,,,,,,,,,,,,,,0.0,,
CCNc1nc(NC(C)C)nc(N(C#N)CCOc2ccccc2)n1,CID834134,,,,,,,,,,,,0.0,,,,,
COc1ccccc1OCCN(C#N)c1nc(N(C)C)nc(N(C)C)n1,CID3125344,,,,,,,,,,,,,,,0.0,,
COc1ccc(Nc2cc(=O)oc3ccccc23)cc1,CID804466,,,,,,,,,0.0,0.0,,,,,,,
Nc1c(Nc2ccccc2)c2ccccc2oc1=O,CID43000,0.0,,,,,,0.0,,,,,0.0,,,,,
Cc1ccc(Nc2c(N)c(=O)oc3ccccc23)cc1,CID3124631,,,,,,,,,,0.0,,0.0,,,,,
Cc1ccccc1Nc1c(N)c(=O)oc2ccccc12,CID3124630,,,,,,,,,,,,0.0,,,,,
Cc1ccc(O)c(Nc2c([N+](=O)[O-])c(=O)oc3ccccc23)c1,CID3424612,,,,,,0.0,,,,,,,,,,,
O=c1oc2ccccc2c(Nc2cccc(O)c2)c1[N+](=O)[O-],CID3125372,,,,,,,,,,0.0,,,,,,,
COc1ccc(C)cc1NC(=O)CSc1nnnn1Cc1ccccc1,CID644948,0.0,0.0,,0.0,0.0,,,,,,0.0,,0.0,,,0.0,
CCOc1ccccc1NC(=O)CSc1nnnn1Cc1ccccc1,CID2216312,0.0,0.0,0.0,0.0,0.0,,,,,,0.0,,,,0.0,0.0,
COc1ccccc1NC(=O)CSc1nnnn1Cc1ccccc1,CID1319426,0.0,0.0,,,0.0,,,,,0.0,0.0,,0.0,,,,
CC(=O)Nc1cccc(NC(=O)CSc2nnnn2Cc2ccccc2)c1,CID644552,,,,,0.0,0.0,,,,,,,,,0.0,,
COC(=O)c1cc(OC)c(OC)cc1NC(=O)CSc1nnnn1Cc1ccccc1,CID1248384,,,,,,,,,0.0,,0.0,,0.0,0.0,,0.0,0.0
CCC(=O)Nc1cccc(NC(=O)CSc2nnnn2Cc2ccccc2)c1,CID651076,,0.0,,,0.0,0.0,0.0,,,0.0,0.0,,,,,,
CCC(Sc1ccccn1)C(=O)Nc1nnc(C)s1,CID2890921,,,,,0.0,,0.0,,,,0.0,,0.0,0.0,,,
Cc1nnc(NC(=O)CSc2ccccn2)s1,CID653220,0.0,0.0,0.0,0.0,,,0.0,,,,,,,,,,
C=CCSc1nnc(NC(=O)CSc2ccccn2)s1,CID2968297,,,,,0.0,,,,0.0,,,,,,,,
CCc1nnc(NC(=O)CSc2nc(C)cc(C)c2C#N)s1,CID601275,,,,,,,,,,,,,,0.0,,,
Cc1nnc(NC(=O)CSc2ccc([N+](=O)[O-])cn2)s1,CID3442498,,,,,,,,,,,,,,0.0,,,
CC(C)Cc1nnc(NC(=O)CSc2ccccn2)s1,CID889407,,,,,,0.0,,,0.0,,,,,,,,
N#CC1=C2SCN(Cc3ccco3)CN2C(=O)CC1c1ccccc1F,CID4896365,,,,,,,,,,,,,,,0.0,,
CC(C)c1ccc(C2CC(=O)N3CN(Cc4ccco4)CSC3=C2C#N)cc1,CID666531,0.0,,,,,,,0.0,,,,,,,,0.0,
N#CC1=C2SCN(Cc3ccco3)CN2C(=O)CC1c1c(F)cccc1Cl,CID4885785,0.0,0.0,,,0.0,0.0,,,,,,,,,,,
N#CC1=C2SCN(Cc3ccco3)CN2C(=O)CC1c1ccc(Cl)cc1,CID666134,0.0,,0.0,0.0,,0.0,,,,,,,,,,,0.0
Cc1ccc(C2CC(=O)N3CN(Cc4ccco4)CSC3=C2C#N)cc1,CID666244,0.0,,,,0.0,0.0,,,,,,,,,,0.0,
COc1ccc(C2CC(=O)N3CN(Cc4ccco4)CSC3=C2C#N)cc1,CID666592,,,0.0,,0.0,,,,,,0.0,,,,,,0.0
Fc1ccc(CSc2nc3ncc(Br)cc3[nH]2)cc1,CID708453,,,,,,,,,0.0,,0.0,,,,,,
Fc1ccccc1CSc1nc2ncccc2[nH]1,CID764226,,0.0,,,,,,,,,,,0.0,,,0.0,
Fc1ccccc1CSc1nc2ncc(Br)cc2[nH]1,CID882270,,,,,,,,,0.0,,0.0,,,,,,
Clc1ccccc1CSc1nc2ncccc2[nH]1,CID617576,,,,,,0.0,,,,,,,,,,,
Cc1ccc(CSc2nc3ncccc3[nH]2)cc1,CID571253,,,,,,0.0,,,,,,,,,0.0,,
Fc1ccc(CSc2nc3ncccc3[nH]2)cc1,CID778306,,,0.0,,,,0.0,,,,,,,,,0.0,
COc1ccccc1N(CC(=O)NC1CCCCC1)C(=O)CCC(=O)Nc1ccccn1,CID652679,0.0,,,,,,0.0,,0.0,,0.0,0.0,,,,,0.0
Cc1ccc(C)c(N(CC(=O)NC2CCCCC2)C(=O)CCC(=O)Nc2ccccn2)c1,CID649226,,,0.0,,,,,0.0,,,,,,,,,0.0
Cc1ccnc(NC(=O)CCC(=O)N(CC(=O)NC2CCCCC2)c2cccc(C)c2C)c1,CID655417,,0.0,,,,,,0.0,,,0.0,,,,,,
Cc1cc(C)cc(N(CC(=O)NC2CCCCC2)C(=O)CCC(=O)Nc2cc(C)ccn2)c1,CID647463,,,0.0,0.0,,,,,,,,,,,,,0.0
Cc1cccc(N(CC(=O)NC2CCCCC2)C(=O)CCC(=O)Nc2cc(C)ccn2)c1,CID653729,,0.0,0.0,0.0,,,0.0,,,,,,0.0,,,,0.0
Cc1cccc(N(CC(=O)NC2CCCCC2)C(=O)CCC(=O)Nc2ccccn2)c1,CID649588,,,,0.0,,,0.0,,,,0.0,,,,,,
Cc1ccc2nc3c(c(C(=O)O)c2c1)CCC3,CID654633,,,,0.0,,,,,0.0,0.0,,,0.0,,,,
COC(=O)c1c2c(nc3ccccc13)CCC2,CID5061377,,,,,,,,,,,0.0,,,,,,
CCc1ccc2nc3c(c(C(=O)O)c2c1)CCC3,CID649559,,0.0,,,,,,,,,,,,,,,
O=C(O)c1c2c(nc3ccc(Cl)cc13)CCC2,CID1132009,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)c2nc3c(c(C(=O)O)c2c1)CCC3,CID617810,,0.0,,,,,,0.0,0.0,,,,,,,,
CCOc1c2c(nc3ccc(Cl)cc13)CCC2,CID3241754,,0.0,,,,,,,,0.0,,,,,0.0,,
CN(C1=NC(=O)/C(=C\c2ccc(Cl)cc2)S1)c1ccc(O)cc1,CID1561913,,,,,,0.0,,,,,,,,,,,
C=CCOc1ccc(Br)cc1/C=C1/SC(Nc2ccc(C(=O)O)cc2)=NC1=O,CID2169437,,,,,,,,,,,,,,0.0,,,
COc1cc(/C=C2/SC(Nc3ccc(O)cc3)=NC2=O)cc(OC)c1O,CID5768667,,,,,,,,,,,,,,,0.0,,
Cc1ccc(NC2=NC(=O)/C(=C/c3ccc(O)cc3)S2)cc1C,CID1565663,,,,,,0.0,,,,,,,,,,,
COc1ccc(/C=C2\SC(Nc3ccc(F)cc3)=NC2=O)cc1OC,CID1190270,,,,,,0.0,,,,,,,,,,,
CC(C)c1ccc(/C=C2\SC(Nc3ccc(F)cc3)=NC2=O)cc1,CID874548,,,,,,0.0,,,,,,,,,,,
CCOC(=O)C1(C)NC(c2ccc(OC)cc2OC)C2C(=O)N(c3cccc(OC)c3)C(=O)C21,CID645263,,,,,,,,0.0,,,,,,,,,
CCCC1(C(=O)O)NC(c2cccc(OC)c2O)C2C(=O)N(c3ccccc3)C(=O)C21,CID5031554,,,,,,,,,,0.0,,,,,,,
CCCC1(C(=O)OCC)NC(c2ccc(N(C)C)cc2)C2C(=O)N(c3ccc(F)cc3)C(=O)C21,CID648598,,,,,,,,,,,0.0,0.0,,,,,0.0
CCOC(=O)C1(C)NC(c2ccccc2F)C2C(=O)N(c3cccc(C(C)=O)c3)C(=O)C21,CID655997,,,,,,,,,,,0.0,,,,,,
CCOC(=O)C1(C)NC(c2ccc(N(C)C)cc2)C2C(=O)N(c3ccc(OC)cc3)C(=O)C21,CID651449,,,,,,,,,,,0.0,,,,,,
CCCC1(C(=O)OCC)NC(c2ccc(N(C)C)cc2)C2C(=O)N(c3ccc(OCC)cc3)C(=O)C21,CID649769,0.0,,,,,,,,,,,,,,,,
CCC(=O)c1cn(CC(=O)NCC2CCCO2)c2ccccc12,CID645260,,,0.0,,0.0,,,,,,,,0.0,,,,0.0
CC(C)C(=O)c1cn(CC(=O)NCC2CCCO2)c2ccccc12,CID655742,,0.0,,,0.0,0.0,,,0.0,0.0,,0.0,0.0,,,,0.0
O=Cc1cn(CC(=O)NCC2CCCO2)c2ccccc12,CID2900616,,,,,,,,,,0.0,,,,,,,
N#Cc1cn(CC(=O)NCC2CCCO2)c2ccccc12,CID2912319,,,0.0,0.0,0.0,,,0.0,0.0,0.0,,,0.0,0.0,,,
CC(=O)c1cn(CC(=O)NCC2CCCO2)c2ccccc12,CID2950220,,,0.0,,0.0,,,0.0,,0.0,,,0.0,,,,
Cc1c(C#N)c2ccccc2n1CC(=O)NCC1CCCO1,CID2916550,,,,,0.0,,,,0.0,0.0,,,,,,,
O=C(Nc1cccc(Cl)c1)Nc1nnc(COc2ccc(F)cc2)s1,CID1367953,,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccc(F)cc1)Nc1nnc(COc2ccccc2F)s1,CID1419478,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C(C)C)c(OCc2nnc(NC(=O)Nc3ccccc3)s2)c1,CID1944822,,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccccc1)Nc1nnc(COc2ccc(F)cc2)s1,CID879186,,,,,,0.0,,,,,,,,,,,
COc1ccc(OCc2nnc(NC(=O)Nc3ccc(F)cc3)s2)cc1,CID1387484,,,,,,,,,,,,,,0.0,,,
Cc1ccc(OCc2nnc(NC(=O)Nc3cccc(Cl)c3)s2)cc1C,CID1367498,,,,,,0.0,,,,,,,,,,,
Cc1cc(C)n2nc(SCC(=O)N(C)c3ccccc3)nc2n1,CID719029,,0.0,0.0,,0.0,,0.0,0.0,,,,,,,,0.0,
CCN(C(=O)CSc1nc2nc(C)cc(C)n2n1)c1ccccc1,CID757610,,0.0,,,0.0,,,,,,0.0,,,,,,
CCN(C(=O)CSc1nc2nc(C)cc(C)n2n1)c1cccc(C)c1,CID3239720,,0.0,,,0.0,,,,,,,,0.0,,,,
CC(=O)c1ccc(NC(=O)CSc2nc3nc(C)cc(C)n3n2)cc1,CID1266531,,0.0,,0.0,,,,0.0,,,,,,0.0,,0.0,
Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nc3nc(C)cc(C)n3n2)c1,CID2586975,,,,,0.0,,,,,,,,0.0,,,,
Cc1cc(C)n2nc(SCC(=O)Nc3ccc(F)cc3)nc2n1,CID715198,0.0,0.0,,,,,,,,,,,,,,0.0,
Cc1cc(=O)[nH]c(=S)[nH]1,CID667493,,,,,,,,,,,,,,,0.0,,
COC(=O)CCc1c(C)[nH]c(=S)[nH]c1=O,CID660631,,,,0.0,,,0.0,,,,,,,,,,
CCCCOC(=O)C(C)c1c(C)[nH]c(=S)[nH]c1=O,CID660955,,0.0,,0.0,0.0,,0.0,,,,,,,,,,
CCCCCCCCOC(=O)CCc1c(C)[nH]c(=S)[nH]c1=O,CID1958205,,,,,,0.0,,,,,,,,0.0,,,
CCCCCOC(=O)C(C)c1c(C)[nH]c(=S)[nH]c1=O,CID662298,,,,0.0,0.0,,0.0,0.0,,,,,,,,,0.0
CCCc1cc(=O)[nH]c(=S)[nH]1,CID657298,,,,,0.0,,,,,,,,,,,,
COc1ccccc1CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1,CID648711,,,,,0.0,,0.0,,,,,,,,,,
COc1ccc(CNS(=O)(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1,CID1456434,,,,,,,,,,,0.0,,,0.0,,,
COc1cccc(CNS(=O)(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1,CID1456436,,,,,,,,,,,0.0,,,,,,
O=S(=O)(NCc1ccccc1F)c1cccc(S(=O)(=O)N2CCOCC2)c1,CID1456431,,,,,,,,,,,,,,0.0,,,
O=S(=O)(NCc1ccc(F)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1,CID1456433,,,,,,,,,0.0,,,,,,,,
O=S(=O)(NCc1ccccc1)c1cccc(S(=O)(=O)N2CCOCC2)c1,CID3214676,,,,,,,,,,,,0.0,,,,,
CCOc1ccc(NC(=O)c2cc3cc4ccc(C)cc4nc3o2)cc1,CID4246948,,,,,,,,,,,,,,,0.0,,
COc1ccc2nc3oc(C(=O)Nc4ccc(OC)c(OC)c4)cc3cc2c1,CID9551159,,,,,,,,,,0.0,,,,,,,
CCN(C(=O)c1cc2cc3ccc(C)cc3nc2o1)c1ccc(OC)cc1,CID3244655,0.0,,,,,,,,,,,,,0.0,,,
Cc1cccc(N(C)C(=O)c2cc3cc4ccc(C)cc4nc3o2)c1,CID3240962,0.0,,,,0.0,,,,0.0,,,0.0,,,,,
COc1ccc(C)cc1NC(=O)c1cc2cc3ccc(C)cc3nc2o1,CID3237939,0.0,,,,0.0,,,0.0,0.0,,,0.0,,,,,0.0
Cc1ccc2cc3cc(C(=O)N(C)c4ccccc4)oc3nc2c1,CID3242186,0.0,,,,0.0,,,,0.0,,,,,,,,
Cc1ccc(-c2cc(C(=O)N/N=C/c3cnn(C)c3C)c3ccccc3n2)cc1C,CID1226441,,,,,,,,,,,,0.0,,,0.0,,
CCn1cc(/C=N/NC(=O)c2cc(-c3ccccc3OC)nc3ccccc23)c(C)n1,CID1017718,,,,,,,,,,,,,,,0.0,,
Cc1ccc(-c2cc(C(=O)N/N=C/c3c(C)nn(C)c3C)c3ccccc3n2)cc1C,CID1764406,,,,,,0.0,,,,,,,,,0.0,,
Cc1ccc(-c2cc(C(=O)N/N=C/c3c(C)nn(C)c3C)c3ccccc3n2)c(C)c1,CID1764403,,,,,,0.0,,,,,,0.0,,,,,
COc1ccccc1-c1cc(C(=O)N/N=C/c2cn(C)nc2C)c2ccccc2n1,CID1017709,,,,,,,,,,,,,,,0.0,,
CCn1ncc(/C=N/NC(=O)c2cc(-c3ccc(C)cc3C)nc3ccccc23)c1C,CID1226424,,,,,,,,,,,,0.0,,,0.0,,
CN(C)c1nc(NS(=O)(=O)c2ccc(Cl)cc2)nc(N(C)C)n1,CID653860,,,,,,,,,,,,,,0.0,,,
CCNc1nc(NC(C)C)nc(NS(=O)(=O)c2ccc(Cl)cc2)n1,CID646137,,,,0.0,0.0,,,,,,0.0,,,,,,
CCN(CC)c1nc(N)nc(NS(=O)(=O)c2ccc(Cl)cc2)n1,CID1380355,,,,,,,0.0,,,,,,,,,,
COc1nc(N(C)C)nc(N(OC)S(=O)(=O)c2ccccc2Cl)n1,CID662185,,0.0,,,,,,,0.0,,0.0,,0.0,,,,
CC(C)Nc1nc(NC(C)C)nc(NS(=O)(=O)c2ccc(N)cc2)n1,CID1114588,,,,,,,,,,0.0,,,,,0.0,,
CON(c1nc(N(C)C)nc(N(C)C)n1)S(=O)(=O)c1ccccc1Cl,CID1888978,,,,,,,,,,0.0,,,,,,,
CCCn1c(CCC(=O)O)ccc1-c1cccs1,CID649173,,,,,0.0,0.0,0.0,,,,,,,0.0,,,0.0
CC(C)Cn1c(CCC(=O)O)ccc1-c1cccs1,CID894226,,0.0,,,0.0,,,,,,,0.0,,,,,0.0
O=C(O)CCc1ccc(-c2cccs2)n1CCC(=O)O,CID650763,,,,,,,,0.0,0.0,,,0.0,,0.0,,0.0,
CCCCn1c(CCC(=O)O)ccc1-c1cccs1,CID2056466,,,,,0.0,,,0.0,,,,0.0,0.0,,0.0,,
COCCn1c(CCC(=O)O)ccc1-c1cccs1,CID2301810,,,,,,,,,,,,,,0.0,,,
COCCCn1c(CCC(=O)O)ccc1-c1cccs1,CID2224382,,,,0.0,,,,,0.0,,,0.0,,,,,
Cc1ccc2c(c1)N(CC(=O)c1cccc(Cl)c1)C(=O)C(C)O2,CID649178,,0.0,,,,,,,,,,,,,,0.0,0.0
COc1ccc(C(=O)CN2C(=O)COc3ccccc32)cc1,CID1088408,,,,,,,,,,,,,,0.0,0.0,,
O=C(CN1C(=O)COc2ccccc21)c1ccc(Cl)cc1,CID649246,,,,,,0.0,0.0,,,0.0,,,,,,0.0,0.0
CC1Oc2ccccc2N(CC(=O)c2ccccc2)C1=O,CID652084,,0.0,,,,,,,0.0,,0.0,,0.0,,0.0,,
O=C(CN1C(=O)COc2ccccc21)c1cccc(Cl)c1,CID644649,,,0.0,0.0,,,,,,0.0,,,0.0,,,0.0,
CC1Oc2ccccc2N(CC(=O)c2cccc(Cl)c2)C1=O,CID653184,,0.0,0.0,,,,,,,,,,0.0,,,0.0,0.0
COCCCNC(=O)C12CCC(C)(C(=O)C1)C2(C)C,CID2950562,,,,,,,,,,0.0,,,,,,,0.0
COCCN(CCOC)C(=O)C12CCC(C)(C(=O)C1)C2(C)C,CID662876,,,,,,,,,,,,,,,,,0.0
CCCCNC(=O)C12CCC(C)(C(=O)C1Br)C2(C)C,CID3335155,,,,,,,,,,,,,,0.0,,,
CN(C)CC(C)(C)CNS(=O)(=O)CC12CCC(CC1=O)C2(C)C,CID4878202,,,,,,,,,,,,,,0.0,,,
CN(C)S(=O)(=O)CC12CCC(CC1=O)C2(C)C,CID2946887,,,0.0,,,,,,,,,,,0.0,,,
CCN(CCO)C(=O)C12CCC(C)(C(=O)C1)C2(C)C,CID2941016,,,,,,,,0.0,,0.0,,,,,,0.0,0.0
CCOc1ccccc1-c1nc(-c2ccc(NC(=O)Cc3ccccc3OC)cc2)no1,CID2202984,0.0,,,,,,,,,0.0,0.0,,,0.0,,,0.0
COc1ccc(CC(=O)Nc2ccc(-c3noc(-c4cccc(OC)c4)n3)cc2)cc1,CID3238986,0.0,0.0,0.0,,,0.0,,,,0.0,,0.0,,,,,0.0
COc1ccc(CC(=O)Nc2ccc(-c3noc(-c4ccccc4OC)n3)cc2)cc1,CID2201684,,,,,,0.0,,,,0.0,,,,,,,
COc1ccc(CC(=O)Nc2ccc(-c3noc(-c4cc(OC)c(OC)c(OC)c4)n3)cc2)cc1,CID3240741,,,0.0,,,,,,,,,,,,,,
CCOc1ccccc1-c1nc(-c2ccc(NC(=O)Cc3ccc(OC)cc3)cc2)no1,CID3236909,0.0,,0.0,,,0.0,0.0,0.0,,,,,,,,0.0,0.0
COc1cccc(-c2nc(-c3ccc(NC(=O)Cc4ccccc4OC)cc3)no2)c1,CID3236979,0.0,,0.0,,,,,0.0,,0.0,0.0,0.0,,,,,
COc1ccccc1NC(=O)C(=O)NCc1ccccc1,CID2249427,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C)cc2)cc1,CID2273773,,,,,,0.0,,,,,,,,,,,
Cc1cc(C)cc(NC(=O)C(=O)NCc2ccccc2)c1,CID2272379,,,,,,0.0,,,,,,,,,,,
COc1ccc(CNC(=O)C(=O)Nc2cc(C)cc(C)c2)cc1,CID2273342,,,,,,0.0,,,,,,,,,,,
Cc1ccccc1NC(=O)C(=O)NCc1ccccc1,CID2273765,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC(=O)C(=O)NCc2ccc(C)cc2)c(OC)c1,CID2271636,,,,,,0.0,,,,,,,,,,,
O=C(O)C1CC1c1ccc(Br)cc1,CID301541,0.0,,,,,,,,,,0.0,0.0,,,,,
CC(=O)NC1CC1c1ccccc1,CID657469,,,,0.0,,,0.0,,,,,,0.0,,,,
N#CC1(C#N)C(C(N)=O)C1c1ccc(Cl)cc1,CID2839182,,,,,,,,,,,,,,0.0,0.0,,
CCOC(=O)C1(C(=O)OCC)CC1c1ccccc1,CID258820,,,,,,,,,,,,,,,0.0,,
COC(=O)C1(C#N)C(c2ccccc2)C1(C(=O)OC)C(=O)OC,CID2925582,,,,,,,,,,,,,,,0.0,,
NNC(=O)C1CC1c1ccc(Cl)cc1,CID4283374,,,,,,,,,,,,,,0.0,,,
CCCCN(Cc1ccccc1)S(=O)(=O)c1ccc2[nH]c(=O)oc2c1,CID4553004,,,,,,0.0,,,,,,,,,,,
CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N(CCN(C)C)Cc3ccccc3)ccc21,CID3245955,,,,,0.0,,,,,,,,,,,,
CN(Cc1ccccc1)S(=O)(=O)c1ccc2[nH]c(=O)oc2c1,CID2133606,,,,,,,0.0,,,,,,,,,0.0,
Cn1c(=O)oc2cc(S(=O)(=O)NCc3ccccc3)ccc21,CID1093461,,,,,,0.0,,,,,0.0,,,,,,
CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)NC(C)c3ccccc3)ccc21,CID9551293,,,,,,,,,,,,0.0,,,,,
COc1ccccc1CNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C,CID1863015,,,0.0,,,,,,,,0.0,,,,,,
CCOc1ccc(/C=c2\sc3nc(-c4ccco4)nn3c2=O)cc1OCC,CID3237407,0.0,,0.0,,0.0,,,,,0.0,,,0.0,,,0.0,0.0
CCCOc1ccc(/C=c2\sc3nc(-c4ccco4)nn3c2=O)cc1OCC,CID3241100,0.0,,0.0,,0.0,,,0.0,,,0.0,0.0,,,0.0,,
COc1ccc(Br)cc1/C=c1\sc2nc(-c3ccco3)nn2c1=O,CID3236807,0.0,,,,,,0.0,,,,,,,,,0.0,0.0
CCOc1ccccc1/C=c1\sc2nc(-c3ccco3)nn2c1=O,CID3235941,0.0,0.0,,,0.0,,0.0,0.0,,,0.0,,0.0,,,0.0,0.0
COc1ccccc1/C=c1\sc2nc(-c3ccco3)nn2c1=O,CID3237150,0.0,,,0.0,0.0,,0.0,,,,0.0,,,,,0.0,
CC(=O)Oc1cccc(/C=c2\sc3nc(-c4ccco4)nn3c2=O)c1,CID3238026,0.0,0.0,0.0,0.0,,,,0.0,,,0.0,,,,,,0.0
CCCN(CCC)C(=O)CSc1nc2nnc(C)c-2c(N)n1-c1ccc(OC)cc1,CID3237402,,,0.0,,,,,,,,,,,,,,0.0
CCC(Sc1nc2nnc(C)c-2c(N)n1-c1cccc(Cl)c1)C(=O)NCCOC,CID3245367,,,,0.0,0.0,,,,,,,,0.0,,,,
CCCN(CCC)C(=O)CSc1nc2nnc(C)c-2c(N)n1-c1ccc(OCC)cc1,CID3244749,,,,,,,0.0,,,,,,,,,0.0,
CCOc1ccc(-n2c(SCC(=O)NC(C)CC)nc3nnc(C)c-3c2N)cc1,CID3236879,,,0.0,,0.0,0.0,,,,,,,0.0,,,,
CCC(C)NC(=O)CSc1nc2nnc(C)c-2c(N)n1-c1ccc(OC)cc1,CID3238642,,,,,,,,,,0.0,0.0,,,,,0.0,0.0
CCC(Sc1nc2nnc(C)c-2c(N)n1-c1cccc(Cl)c1C)C(=O)N(CC)CC,CID3241197,,0.0,,,0.0,,,,,,0.0,,,,,,
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCC(C(N)=O)CC3)cc2)cc1,CID989220,,,,,0.0,,,,0.0,,0.0,,0.0,,,0.0,
CN(c1ccc(C(=O)N2CCCCC2)cc1)S(=O)(=O)c1ccccc1,CID1106331,,,0.0,0.0,,,,0.0,,,,,0.0,,,,
CCOC(=O)C1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)CC1,CID3275569,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCCCC3)cc2)cc1,CID1041096,,,,,,,,,,,0.0,,,0.0,,,
COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCC(C(N)=O)CC3)cc2)cc1,CID2233683,,,,,0.0,,,,0.0,,0.0,,,0.0,,,
CCOC(=O)C1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3C)cc2)CC1,CID3873152,,,,,,,,,,,,,,0.0,,,
CCn1c(SCC(=O)Nc2sc(C)c(C)c2C#N)nnc1C(C)C,CID649137,0.0,0.0,0.0,0.0,0.0,,0.0,,,0.0,,,,,,,
CCCn1c(SCC(=O)Nc2sc(C)c(C)c2C#N)nnc1C(C)C,CID1457194,,,,,,0.0,,,,,,,,,,,
Cn1cnnc1SCC(=O)Nc1sccc1C#N,CID2514976,0.0,,,0.0,,,,,,0.0,,,,,,,
CCOC(=O)c1c(NC(=O)CSc2nncn2C)sc(C)c1C,CID1265472,,,,,,,,,0.0,0.0,,0.0,,0.0,,,
Cc1sc(NC(=O)CSc2nnc(C(C)C)n2C)c(C#N)c1C,CID855191,,,,,,,,,0.0,0.0,,,,0.0,,,
COCCn1c(SCC(=O)Nc2sc(C)c(C)c2C#N)nnc1C(C)C,CID650375,0.0,0.0,,0.0,0.0,,0.0,,0.0,,,,,,,0.0,0.0
CC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1ccco1,CID3156922,,,,,,,,,,,0.0,,,,,,
CC(NS(=O)(=O)c1ccccc1)C(=O)NCc1ccco1,CID2963960,,,,,,,,,0.0,,0.0,,,,,,
Cc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)NCc2ccco2)cc1,CID663471,,0.0,,,0.0,,,,,,,,,,,,
COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)NCc1ccco1,CID2236829,,,0.0,0.0,,,,0.0,,,,,,,,0.0,
Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)NCc2ccco2)c1C,CID984199,,,,,,,,,,,,,,,0.0,,
COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccco2)cc1,CID1084427,,,,,,0.0,,,,,,,,,,,
CCOC(=O)CN1CC23C=CC(O2)C(C(=O)Nc2ccc(C(C)=O)cc2)C3C1=O,CID5308851,,,,,,,0.0,,,,,,0.0,,,,0.0
CCOc1ccc(NC(=O)C2C3C=CC4(CN(C(C(=O)OC)C(C)C)C(=O)C24)O3)cc1,CID5307903,0.0,,,,,,,0.0,,,,,,,,0.0,
CCOC(=O)CN1CC23C=CC(O2)C(C(=O)Nc2ccc(F)c(C)c2)C3C1=O,CID3237261,,,,,,,,,,,,,,,,,0.0
CCOC(=O)CN1CC23C=CC(O2)C(C(=O)Nc2ccc(OCC)cc2)C3C1=O,CID5308172,,,,,,,,0.0,,,,,,,,0.0,
CCOC(=O)CN1CC23C=CC(O2)C(C(=O)Nc2ccc(F)cc2)C3C1=O,CID3243505,,,0.0,,,,,0.0,,,,,,,,,0.0
CCOC(=O)CN1CC23C=CC(O2)C(C(=O)Nc2cc(OC)ccc2OC)C3C1=O,CID5307882,,,,,,,,,,,,,,,,,0.0
COc1cccc(N2CCN(c3ncnc4c3cnn4-c3ccc(C)cc3C)CC2)c1,CID1881562,,0.0,,,,,,,,0.0,,,,,,,
COc1ccc(-n2ncc3c(N4CCN(c5cc(C)ccc5C)CC4)ncnc32)cc1,CID1984190,,0.0,,,,,,,,0.0,,,,,,,0.0
Cc1ccc(C)c(N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)c1,CID1979324,,,,,,0.0,,,,,,,,,0.0,,0.0
COc1ccc(N2CCN(c3ncnc4c3cnn4-c3ccc(C)cc3C)CC2)cc1,CID1315297,,,0.0,,,,0.0,,,0.0,,,,,,,
COc1ccc(-n2ncc3c(N4CCN(c5cccc(C)c5C)CC4)ncnc32)cc1,CID1976618,,,,,,,,,,0.0,,,,,,,
Cc1ccc(-n2ncc3c(N4CCN(c5ccccc5)CC4)ncnc32)c(C)c1,CID661231,,,,,,0.0,0.0,,,,,,,,0.0,,
Cc1nnc(-c2ccccc2)nc1N(C)C,CID6404618,,,,,,,,,,,,,,0.0,,,
CCCCC(=O)NN(C)c1nc(-c2ccccc2)nnc1C(F)(F)F,CID6413325,,,,,,,,,,,,,,0.0,,,
CN(NC(=O)C(C)(C)C)c1nc(-c2ccccc2)nnc1C(F)(F)F,CID6413324,,,,,,,,,,0.0,,,,,,,
CCN(CC)CCNc1nc(-c2ccccc2)nnc1C(F)(F)F,CID6413147,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1nnc(-c2ccccc2)nc1NC,CID6404626,,,,,,0.0,,,,,,,,,,,
CC(C)CC(=O)NN(C)c1nc(-c2ccccc2)nnc1C(F)(F)F,CID6413198,,,,,,,,,,0.0,,,,0.0,,,
Cc1ccccc1C1N(c2nccs2)C(=O)C2CCCN21,CID4393950,,,,,,,,,,,,,,0.0,,,
O=C1C2CCCN2C(c2ccc(F)cc2)N1c1nccs1,CID3242792,,,,,,0.0,0.0,,,,,,,,,,0.0
O=C1C2CCCN2C(c2ccc(Cl)cc2)N1c1nccs1,CID3242175,,0.0,,0.0,0.0,,,,,,0.0,0.0,,,,,
Cc1cccc(C2N(c3nccs3)C(=O)C3CCCN32)c1,CID3237346,,,,,,,0.0,,,,,,,,,,
Cc1ccc(C2N(c3nccs3)C(=O)C3CCCN32)cc1,CID3244326,,,,,,0.0,,,,,,,,,,0.0,
O=C1C2CCCN2C(c2ccccc2)N1c1nccs1,CID3243726,,,,,,,,,,,,,,,,0.0,
O=C(Nc1c(F)cc(F)cc1Br)c1cc(-c2ccco2)on1,CID3245278,0.0,,,,,,,,,,,,,,,,
O=C(Nc1ccc(F)cc1F)c1cc(-c2ccco2)on1,CID3238209,,,,,,,0.0,,,,,,,,,,
Cc1ccc(NC(=O)c2cc(-c3ccco3)on2)cc1,CID657174,0.0,,0.0,,,,,0.0,,,,,,,,,
COc1cc(NC(=O)c2cc(-c3ccco3)on2)c(OC)cc1Cl,CID3243301,,0.0,,,,,,,,0.0,,,,,,0.0,0.0
CCc1ccc(NC(=O)c2cc(-c3ccco3)on2)cc1,CID3243766,,0.0,,,,,,0.0,,,,,,,,,
Cc1ccc(NC(=O)c2cc(-c3ccco3)on2)cc1C,CID3244522,,,,,,,,,,,0.0,,,,,,
COc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)c1,CID1189337,,,,,,,,,0.0,,,,,,,,
COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1,CID1167074,,,,,,,,,0.0,,,0.0,,,,,
COc1cccc(OC)c1C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1,CID651608,,,,,,0.0,,,0.0,,,,0.0,,,0.0,0.0
COc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cc(OC)c1OC,CID2305695,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)c(OC)c1,CID1294290,,,,,,,,0.0,0.0,,,,,,,0.0,
COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)ncn1,CID1184841,,,,,,0.0,,,,,,,,,,,
COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)cc1OC,CID1295573,,,,,,,,,,0.0,,,,,0.0,,
COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)c2ccco2)CC1,CID1256647,,,0.0,,,,,,,,,,,,,,
COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)cc1,CID1072063,,,,,,0.0,,,,,,,,,,,
O=C(c1ccco1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1,CID1281355,,,,,0.0,,,0.0,,,,,,,,,
CC(C)Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)cc1,CID1314141,,,,,,,,,,0.0,,,0.0,0.0,,,0.0
O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,CID2902800,,,,,,,,,,,,0.0,,,,,
CCNC(=O)CC1S/C(=N\c2ccc(C)cc2)N(CC)C1=O,CID3136237,,,,,,,,,,,0.0,,,,,,
C=CCN1C(=O)C(CC(=O)NCC)S/C1=N\c1ccc(S(N)(=O)=O)cc1,CID646038,,0.0,,,,,,,,,,,,,,,
CCNC(=O)CC1S/C(=N\c2ccccc2C)N(C)C1=O,CID656011,,0.0,0.0,,0.0,,0.0,,,,,,,,,0.0,0.0
CCNC(=O)CC1S/C(=N\c2cccc(Cl)c2C)N(C)C1=O,CID647862,0.0,0.0,,,0.0,,0.0,,,,,,,,,,0.0
C=CCN1C(=O)CS/C1=N\c1cccc(O)c1,CID1314309,,,,,0.0,,,,,,,,,,,,
CCc1ccccc1/N=C1\SCC(=O)N1C,CID652271,,,,,0.0,,,0.0,,,,,,,0.0,,0.0
Cc1ccc2nc(-c3cccs3)oc(=O)c2c1,CID683130,,,,,,,,,,,,,,0.0,,,
O=c1oc(-c2cccs2)nc2ccccc12,CID670694,,,,,,,,,,,,,,0.0,,,
CC(=O)Oc1ccc2nc(-c3cccs3)oc(=O)c2c1,CID882659,,,,,,,,,0.0,0.0,,0.0,,0.0,0.0,,
O=c1oc(-c2cccs2)nc2ccc(Cl)cc12,CID574259,,,,,,,,,,,,,,0.0,,,
COc1cc2nc(-c3cccs3)oc(=O)c2cc1OC,CID405767,,,,,,,,,0.0,,,,,,,,
O=c1oc(-c2cccs2)nc2ccc(Br)cc12,CID695620,,,,,,,,,0.0,,0.0,,,0.0,,,
CNc1ccccc1-c1nc2ccccc2n(C)c1=O,CID658225,0.0,,,0.0,,,0.0,,,,0.0,,,,,,0.0
Cn1c(=O)c(-c2cc(Br)ccc2N)nc2ccccc21,CID911451,,,,,,,,,0.0,,0.0,0.0,,,0.0,,
Cn1c(=O)c(-c2ccccc2N)nc2ccccc21,CID739718,,0.0,0.0,0.0,,,,0.0,,0.0,,0.0,,,,0.0,
Cn1c(=O)c(-c2ccccc2)nc2ccccc21,CID848834,,,,,,,,,,,,,,0.0,0.0,,
CCOC(=O)Cn1c(=O)c(-c2ccccc2NC)nc2ccccc21,CID830136,,,,,,,,,0.0,,,0.0,,0.0,,,
CCOC(=O)Cn1c(=O)c(-c2ccccc2N)nc2ccccc21,CID832830,0.0,,,,0.0,,,,,,,,0.0,,,,0.0
COc1ccc(-c2nc(-c3ccccc3)c(-c3cc([N+](=O)[O-])ccc3C)[nH]2)cc1OC,CID1364854,,,,,,,,,,,,,,0.0,,,
COc1cc(-c2nc(-c3ccccc3)c(-c3cc([N+](=O)[O-])ccc3C)[nH]2)cc(OC)c1OC,CID1122716,,,,,,,,,,,,0.0,,,,,
COc1ccc(-c2nc(-c3ccccc3)c(-c3cc([N+](=O)[O-])ccc3C)[nH]2)c(OC)c1,CID2881539,,,,,,0.0,,,,,,,,,,,
COc1ccc(-c2nc(-c3ccccc3)c(-c3cc([N+](=O)[O-])ccc3C)[nH]2)cc1O,CID3754981,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-c2[nH]c(-c3ccc(C(=O)O)cc3)nc2-c2ccccc2)cc1,CID1101900,,,,,,,,,,,,,,0.0,,,
COc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc(OC)c1OC,CID1089848,,,,,,0.0,,,,,,,,,,,
CCC(NCCN1CCCCC1)=C1C(=O)N(C)C(=O)N(C)C1=O,CID5389101,,,,,,,,0.0,,,,,,,,,0.0
CC(NCCN1CCCCC1)=C1C(=O)NC(=O)NC1=O,CID5389647,,,,,,,,,,0.0,,,,,0.0,,
CCCCCCN1C(=O)NC(=O)/C(=C\NCCN2CCCCC2)C1=O,CID5389181,,,0.0,,,,,0.0,,,,,,,,0.0,0.0
CCCCN1C(=O)NC(=O)/C(=C\NCCN2CCCCC2)C1=O,CID5389182,,,,,,,,0.0,,0.0,,,,,,,
CCCCN1C(=O)NC(=O)/C(=C(/C)NCCN2CCCCC2)C1=O,CID5389545,,,0.0,,,,,0.0,,,,,,,,,
C=CCN1C(=O)NC(=O)/C(=C(/C)NCCN2CCCCC2)C1=O,CID6222392,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-n2cc(C(=O)c3cc(Cl)ccc3O)cc(C#N)c2=O)cc1,CID2368324,,,,,,,,,,,,,,0.0,,,
Cc1cccc(-n2cc(C(=O)c3cc(Cl)ccc3O)cc(C#N)c2=O)c1,CID2368049,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(-n2cc(C(=O)c3cc(Cl)ccc3O)cc(C#N)c2=O)cc1,CID2369157,,,,,,,,,,,,,,0.0,,,
N#Cc1cc(C(=O)c2ccccc2O)cn(-c2ccc(Cl)cc2)c1=O,CID2110386,,,,,,,,,,,,,,0.0,,,
N#Cc1cc(C(=O)c2cc(Cl)ccc2O)cn(-c2ccccc2)c1=O,CID2368723,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1-n1cc(C(=O)c2cc(Cl)ccc2O)cc(C#N)c1=O,CID2368948,,,,,,,,,,,,,,0.0,,,
COCCCNc1nc(-c2ccncc2)nc2ccccc12,CID661830,,1.0,,0.0,,,,,,,,0.0,,,0.0,,
CCOc1nc(-c2ccncc2)nc2ccccc12,CID659823,,,,,,,,,,,,,,,0.0,,
CCOC(=O)CNc1nc(-c2ccncc2)nc2ccccc12,CID661790,,,,0.0,,,,,,,0.0,,,,,,
C=CCOc1nc(-c2ccncc2)nc2ccccc12,CID661889,,,,,,0.0,0.0,,,,,,,0.0,0.0,,
COc1nc(-c2ccncc2)nc2ccccc12,CID710968,,,,,,,,,,,,,,,0.0,,
COC(=O)CNc1nc(-c2ccncc2)nc2ccccc12,CID661161,,,0.0,,,,,,,,,,,0.0,0.0,,
Cc1ccc(C(=O)O)cc1NC(=S)NC(=O)Cc1ccccc1,CID802189,,,,,,0.0,,,,,,,,,,,
CCC(=O)Nc1cccc(NC(=S)NC(=O)Cc2ccccc2)c1,CID884189,,,,,,,,,,,,,,0.0,,,
C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=S)NC(=O)Cc2ccc(OC)cc2)cc1,CID2965154,,,,,,0.0,,,,,,,,,,,
Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)Cc1ccccc1,CID2904096,,,,,,,,,0.0,,,,,0.0,,,
Cc1c(NC(=S)NC(=O)Cc2ccccc2)cccc1C(=O)O,CID803565,,,,,,,,,,,,0.0,,,,,
COc1ccc(CC(=O)NC(=S)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1,CID1015567,,,,,,0.0,,,,,,,,,,,
CCC(C)S(=O)(=O)c1snnc1C,CID3800286,,,,,,,,,,,,0.0,,,,,
CCCS(=O)(=O)c1snnc1C,CID1475922,,,,,,,,,,,,0.0,,,,,
Cc1nnsc1NC(=O)OCC(C)C,CID660483,,,,0.0,,,,,,0.0,,,0.0,,,0.0,
Cc1nnsc1SCC(=O)O,CID1473840,,,,,,0.0,,,,,,,,,,,
Cc1nnsc1NC(=O)OCC(C)(C)C,CID1479489,,,,,,,,,,,0.0,,,,,,
CCOC(=O)c1nnsc1NC(C)=O,CID746094,,,,,,,,,,0.0,0.0,,0.0,,,,
CCCCOc1ccc(-c2nc(=S)[nH][nH]2)cc1,CID2214914,,,,,,,,,,,0.0,,,,,,
S=c1nc(-c2ccccc2Br)[nH][nH]1,CID820004,,,,,,,,,0.0,,,,,0.0,,,
CCCOc1ccc(-c2nc(=S)[nH][nH]2)cc1,CID2215568,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(-c2nc(=S)[nH][nH]2)cc1,CID676755,,0.0,,0.0,,,,0.0,,,0.0,,,,,,
S=c1nc(-c2cccc(Br)c2)[nH][nH]1,CID676286,,,,,,,,,,,,,,,,0.0,
COc1ccc(-c2nc(=S)[nH][nH]2)cc1,CID689101,,0.0,,,,0.0,0.0,0.0,,,,,,,,,0.0
Cn1c(-c2ccc(Br)o2)nc2ccccc21,CID665033,,,,,,,,,0.0,,0.0,0.0,,,,0.0,0.0
Cc1ccc(-c2nc3ccccc3n2C)o1,CID806167,,,,,,,,,0.0,0.0,,,,,,,
CCn1c(-c2ccco2)nc2ccccc21,CID962232,,,0.0,,,,,,0.0,0.0,0.0,,,,,,
CC(=O)Nc1ccc2nc(-c3ccc(Br)o3)[nH]c2c1,CID886876,,,,,,,,,,,,,,0.0,,,
CC(=O)c1ccc(-c2nc3ccccc3n2C)o1,CID659045,,0.0,,,,,,,0.0,,,,0.0,,,0.0,
CC(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1,CID892850,,,,,,,,,,,,,,0.0,0.0,,
CN(C)C(=O)Cn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nc2ccccc21,CID1440852,,,,,,,,,,,0.0,,,,,,
CC(C)Cn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nc2ccccc21,CID4800302,,,,,,0.0,,,,,,0.0,,,,,
CCOc1ccc2nc(SCC(=O)Nc3cc4c(cc3C(C)=O)OCO4)[nH]c2c1,CID1045669,,,,,,,,,,,,,,,0.0,,
CC(=O)c1cc2c(cc1NC(=O)CSc1nc3ccc(C)cc3[nH]1)OCO2,CID1297603,,,,,,,,,,,,,,0.0,,,
CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nc2ccccc21,CID1142142,,,,,,,,,,0.0,,,,,,,
CC(=O)c1cc2c(cc1NC(=O)CSc1nc3ccccc3[nH]1)OCO2,CID1307276,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(N(CC(=O)NCC2CCCO2)S(=O)(=O)c2ccc(Cl)cc2)cc1,CID3136183,,,,,,,,,0.0,,0.0,0.0,,,0.0,,
COc1ccc(N(CC(=O)NCC2CCCO2)S(=O)(=O)c2ccc(C)cc2)cc1OC,CID2894279,,,,,,,,,,0.0,0.0,,,,,,
CCOc1ccc(N(CC(=O)NCC2CCCO2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1,CID2928616,,,0.0,,0.0,,0.0,0.0,,0.0,0.0,,0.0,,,0.0,
COc1ccc(S(=O)(=O)N(CC(=O)NCC2CCCO2)c2ccc(F)cc2)cc1OC,CID2948005,,,,,,0.0,,,,,,,,,,,
COc1ccc(S(=O)(=O)N(CC(=O)NCC2CCCO2)c2ccccc2)cc1OC,CID654500,,,,,0.0,,,,,0.0,,,0.0,,,0.0,
CCOc1ccc(N(CC(=O)NCC2CCCO2)S(=O)(=O)c2ccc(SC)cc2)cc1,CID3120109,,,,,,,,,,,0.0,,,,0.0,,
CCCOC1OC(=O)c2c1ccc(OC)c2OC,CID2849057,,,,,,,,,,,,,,0.0,,,
COc1ccc2c(c1)C(=O)OC2CC(=O)O,CID649281,,,,,,,,,,,,,0.0,,,,
CS(=O)(=O)Nc1ccc2c(c1)C(=O)OC2,CID738096,,,,,,,,,,,,0.0,0.0,,,,
COc1ccc2c(c1OC)C(=O)OC2CC(=O)O,CID2863889,,,,,,0.0,,,,,,,,,,,
COc1ccc2c(c1OC)C(=O)OC2,CID68437,,,,,,,,,,,,,,0.0,,,
CN(C)S(=O)(=O)c1ccc2c(c1)C(CC(=O)O)OC2=O,CID647035,,,,,0.0,,,0.0,0.0,,,,,,,,
Cn1c(=S)[nH]c2ccccc21,CID1522244,,,,,,,,,,,,0.0,,,,,
CCOc1ccc2c(c1)n(CO)c(=S)n2CO,CID1538720,,,,,0.0,,,,,,,,,,,,
COc1ccc2[nH]c(=S)[nH]c2c1,CID665603,,0.0,,,0.0,,,,,,,,,,,,
CCOc1c(C)cc2[nH]c(=S)[nH]c2c1C,CID877847,,,,,,0.0,,,,,,,,,,,
CCn1c(=S)[nH]c2ccccc21,CID755555,,,,,,,,,,0.0,,,,0.0,,,
CC(C)n1c(=S)[nH]c2ccccc21,CID720070,,,,,,,,,,,,,,0.0,,,
CNc1nc(-c2ccccc2)nc(-c2ccccc2)c1C#N,CID1480496,,,,,,,,,,,,0.0,,0.0,,,
N#Cc1c(N)nc(-c2ccccc2)nc1-c1ccccc1,CID2303947,,0.0,0.0,,,,,0.0,,,,,,,,,
CS(=O)(=O)c1cnc(-c2ccccc2)nc1-c1ccccc1Cl,CID1480399,,,,,,,,,,,,,,,0.0,,
CNc1nc(-c2ccccc2)nc(-c2ccc(OC)cc2)c1C#N,CID3613580,,,,,,,,,,,,,,,0.0,,
COc1ccc(-c2nc(-c3ccccc3)nc(Cl)c2C#N)cc1,CID1480507,,,,,,0.0,,,,,,,,0.0,,,
COc1ccc(-c2nc(-c3ccccc3)ncc2S(C)(=O)=O)cc1,CID1488336,,,,,,,,,,,,,,0.0,,,
Cc1ccc(Cn2c(SCCN3CCCCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1,CID649461,0.0,,,0.0,,,,0.0,,0.0,0.0,,,,,,
Cc1ccc(Cn2c(SCCN3CCCCC3)nc3c2c(=O)[nH]c(=O)n3C)cc1,CID980701,0.0,,,,,,0.0,,,,0.0,,0.0,,,0.0,
Cn1c(=O)c2c(nc(SCCN3CCCCC3)n2Cc2ccccc2)n(C)c1=O,CID662562,0.0,,,,,,,0.0,,,,,,,,,
Cn1c(=O)c2c(nc(SCCN3CCCCC3)n2Cc2ccc(Cl)cc2)n(C)c1=O,CID662200,0.0,,0.0,0.0,0.0,0.0,,,,,,0.0,,,,0.0,
Cc1cccc(Cn2c(SCCN3CCCCC3)nc3c2c(=O)[nH]c(=O)n3C)c1,CID986827,0.0,,,,,,,,,,,,,,,0.0,
Cn1c(=O)[nH]c(=O)c2c1nc(SCCN1CCCCC1)n2Cc1ccccc1,CID653730,,,0.0,,,,0.0,,,,0.0,,,,,0.0,
Cc1c(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)oc2ccccc12,CID1157494,,0.0,,,,,,,0.0,,0.0,0.0,0.0,,,,
Cc1c(NC(=O)c2cc3ccccc3o2)c(=O)n(-c2ccccc2)n1C,CID709529,,,,,,,,,0.0,0.0,,0.0,,,,,
Cc1cc2oc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c(C)c2cc1Cl,CID986578,,,,,,,,,,,,,,0.0,,,
Cc1ccc2c(C)c(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)oc2c1,CID986521,0.0,,,,0.0,0.0,,0.0,,0.0,,,,,0.0,,0.0
Cc1cc2oc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c(C)c2cc1C,CID1305755,0.0,,0.0,,0.0,,,,0.0,,0.0,0.0,,,,,
Cc1ccc2oc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c(C)c2c1,CID2198533,,,0.0,0.0,0.0,,,,0.0,0.0,0.0,0.0,0.0,,,,
CCSc1nnc2nc(C)cc(C)n12,CID716713,,,,,,,,,,,0.0,,,,,,
CCCCSc1nnc2nc(C)cc(C)n12,CID650122,,,,,,,,,,,,,,,0.0,,
CCOCCSc1nnc2nc(C)cc(C)n12,CID2224447,,,,0.0,,,,,,0.0,,,,,,,0.0
CCCSc1nnc2nc(C)cc(C)n12,CID2967964,,0.0,,,,,,,,,0.0,,,,,,
Cc1cc(C)n2c(SCC#N)nnc2n1,CID1588015,,0.0,,,,,,,,,,,,,,,
COc1ccc(OC)c(C2=NOC(C(=O)N3CCN(c4ccccc4)CC3)C2)c1,CID9551000,,,,,,0.0,,,,,,,,,,,
O=C(C1CC(c2ccc(F)cc2)=NO1)N1CCN(c2ccccc2)CC1,CID5309305,,,,,,0.0,,,,,,,,,0.0,,
COc1cccc(C2=NOC(C(=O)N3CCN(c4ccccc4)CC3)C2)c1OC,CID5307917,0.0,,,,,,,,,,,,0.0,,,,
COc1cc(C2=NOC(C(=O)N3CCN(c4ccc(F)cc4)CC3)C2)cc(OC)c1OC,CID3241227,,0.0,,0.0,,,,0.0,,,,,,,,,0.0
COc1ccc(C2=NOC(C(=O)N3CCN(c4ccccc4OC)CC3)C2)cc1,CID5308487,0.0,,,,,,,0.0,,,,,,,,,
CCc1ccc(C(C(=O)NCCOC)N(C(=O)Cn2nnc3ccccc32)c2cccnc2)cc1,CID3212129,,,,,,,,,,0.0,,0.0,,,,,
COCCNC(=O)C(c1ccc(Cl)cc1)N(C(=O)Cn1nnc2ccccc21)c1cccnc1,CID3212198,,,,,,,,,,,,,,,0.0,,
COCCNC(=O)C(c1cccc(OC)c1)N(C(=O)Cn1nnc2ccccc21)c1cccnc1,CID655872,,,,,,,,,,,,0.0,,,,,
COCCNC(=O)C(c1ccccc1)N(C(=O)Cn1nnc2ccccc21)c1cccnc1,CID650235,,0.0,,,,,,,,0.0,,0.0,,,,,
COCCNC(=O)C(c1ccccc1C)N(C(=O)Cn1nnc2ccccc21)c1cccnc1,CID3212062,,,,,,,,,,,,0.0,,,,,
O=C1CCCc2c1cc(C(=O)NC1CCSC1=O)c(=O)n2-c1ccccc1,CID3156632,,,,,,,,,,0.0,0.0,,,,,0.0,0.0
CC1(C)CC(=O)c2cc(C(=O)NC3CCSC3=O)c(=O)n(-c3ccccc3)c2C1,CID3240549,,0.0,,,,,0.0,,,,0.0,,,,,,
Cc1ccc(-n2c3c(cc(C(=O)NC4CCSC4=O)c2=O)C(=O)CC(C)(C)C3)cc1,CID2914074,,,,,0.0,,,,,0.0,,,0.0,,,0.0,0.0
COc1ccc(-n2c3c(cc(C(=O)NC4CCSC4=O)c2=O)C(=O)CC(C)(C)C3)cc1,CID2916167,,,0.0,,0.0,,,,,0.0,0.0,,,,,0.0,
Cc1ccc(-n2c3c(cc(C(=O)NC4CCSC4=O)c2=O)C(=O)CCC3)cc1,CID2932153,,,,,,,,,,,0.0,,,,,0.0,
O=C(O)CCCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1,CID661389,0.0,,,,,,0.0,0.0,0.0,0.0,,,0.0,,,,
COC(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1,CID789874,0.0,,,,0.0,,,0.0,0.0,,0.0,,0.0,,,,
CC(=O)C(C(C)=O)=C(N)N1CCN(C(c2ccccc2)c2ccccc2)CC1,CID597354,,0.0,0.0,0.0,,0.0,,,0.0,0.0,,0.0,,,,0.0,0.0
O=S(=O)(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(F)(F)F,CID2324329,,,,,0.0,,,,,,,,,,,,1.0
Clc1ccc(C(c2ccccc2)N2CCNCC2)cc1,CID9340,,,,,,,,,,0.0,,,,,,,
Cc1oc2nc(SCCCC(=O)NCCO)nc(N)c2c1C,CID1890403,,,,,,,,,,0.0,,,,,,0.0,
Cc1oc2nc(SCCCC(=O)NCCCO)nc(N)c2c1C,CID662174,,,,,,,,,,0.0,0.0,,0.0,,,,
CSc1nc(C)c2cc(C)oc2n1,CID645314,,,0.0,,,,,,,,0.0,,0.0,,,,0.0
Cc1oc2ncnc(N)c2c1C,CID290219,,,,,,,,0.0,,,,0.0,,,,,
Cc1oc2nc(SCC(=O)NCCCO)nc(N)c2c1C,CID1887739,,,,,,,,,,,,0.0,,,,,
Cc1ccc(Nc2nc(=O)[nH]nc2C)cc1,CID2791382,,,,,,,,,,,,0.0,,,,,
COc1cccc(Nc2nc(=O)[nH]nc2C)c1,CID2791387,,0.0,,,,,0.0,,0.0,,,0.0,,0.0,,,
COc1ccc(Nc2nc(=O)[nH]nc2C)cc1,CID2791388,,,,,,,,,0.0,,,0.0,,0.0,0.0,,
COc1ccccc1Nc1nc(=O)[nH]nc1C,CID2792512,,,,,,,,,,,,0.0,,,0.0,,
CCc1ccccc1Nc1nc(=O)[nH]nc1C,CID2792515,,0.0,,,,,0.0,0.0,,,,0.0,,,,0.0,
CCc1ccc(OCC(=O)NC(=S)Nc2ccc(F)cc2)c(Br)c1,CID1015268,,,,,,,,,,,,0.0,,0.0,,,
CCc1ccc(OCC(=O)NC(=S)Nc2ccc(C)cc2C)c(Br)c1,CID1015267,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccccc1NC(=S)NC(=O)COc1ccc(C)cc1,CID1344218,,,,,,,,,,,,0.0,,,,,
CCc1ccc(OCC(=O)NC(=S)Nc2cccc(CO)c2)c(Br)c1,CID1015259,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccccc1NC(=S)NC(=O)COc1ccccc1Cl,CID2174460,,,,,,,,,,,,,,,0.0,,
CC(=O)c1cc(C#N)c(N2CCN(C)CC2)nc1C,CID1471734,,,,,,,,,,,,,,0.0,,,
COC(=O)c1cc(C#N)c(N2CCN(C)CC2)nc1C,CID2769094,,,,,,,,,,,,,,,0.0,,
O=C(O)CCC(=O)N1CCN(c2ccccn2)CC1,CID735783,,,,,,,,,0.0,,,,,,,,
CCCS(=O)(=O)N1CCN(c2ccccn2)CC1,CID888610,,,,,,,,,,,0.0,,,,,,
COCc1cc(C)nc(N2CCNCC2)c1C#N,CID926201,,,,,,0.0,,,,,,0.0,,,0.0,,
Fc1ccccc1NC(=S)N1CCN(c2ccccn2)CC1,CID886476,,,,,,,,,,,,,,,0.0,,
COc1ccc(Cl)cc1NC(=S)N1CCN(c2ccccn2)CC1,CID2954681,,,,,,,,,,,,0.0,,,,,
COc1ccc(OC)c(NC(=S)N2CCN(c3ccccn3)CC2)c1,CID1213408,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC(=S)N2CCN(c3ccccn3)CC2)cc1,CID805508,,,,,,,,,,,,,,,0.0,,
Cc1ccc(NC(=S)N2CCN(c3ccccn3)CC2)c(C)c1,CID892063,,,,,,,,,,,,,,,0.0,,
Cc1ccc(-c2nc3ccccn3c2NC(=O)c2ccco2)cc1,CID843181,,,,,,,,,,,0.0,0.0,,,,,
O=C(Nc1c(-c2ccccc2)nc2ccccn12)c1ccco1,CID649112,0.0,0.0,,,,,0.0,,,,,0.0,,,,0.0,
Cc1ccc2nc(-c3ccccc3)c(NC(=O)c3ccco3)n2c1,CID886527,,,,,,,,,,,,0.0,,,0.0,,
O=C(Nc1c(-c2ccccc2)nc2ccc(Cl)cn12)c1ccco1,CID843178,,,,,,0.0,,,,,,,,,,,
Cc1ccn2c(NC(=O)c3ccco3)c(-c3ccccc3)nc2c1,CID843176,,,,,,0.0,,,,,,,,,0.0,,
O=C(/C=C/c1ccc2c(c1)OCO2)NCc1ccc(F)cc1,CID898201,,,,,,,,,,,,,,0.0,,,
COc1ccc(CNC(=O)/C=C/c2cc3c(cc2Br)OCO3)cc1,CID1481501,,,,,,,,,,,,0.0,,,,,
COc1ccccc1CNC(=O)/C=C/c1cc2c(cc1Br)OCO2,CID1485130,,,,,,,,,,,,0.0,,,,,
O=C(/C=C/c1cc2c(cc1Br)OCO2)NCc1ccc(F)cc1,CID1481493,,,,,,,,,,,,0.0,,,,,
O=C(/C=C/c1cc2c(cc1Br)OCO2)NCc1ccc(Cl)cc1,CID1485116,,,,,,,,,,,,,,,0.0,,
CN(CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1cccc2nsnc12,CID3239649,,,,,,,,,0.0,,,,,,,,0.0
Cc1ccc(CNC(=O)CNS(=O)(=O)c2cccc3nsnc23)cc1,CID3235740,0.0,,,0.0,0.0,,0.0,,0.0,,,,,,,0.0,
CN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1cccc2nsnc12,CID3236034,0.0,,,0.0,0.0,0.0,0.0,,,,,,,,,,
Cc1ccc(CNC(=O)CN(C)S(=O)(=O)c2cccc3nsnc23)cc1,CID3238972,0.0,,,0.0,0.0,,,,,0.0,0.0,,,,,,0.0
O=C(CNS(=O)(=O)c1cccc2nsnc12)NCc1ccc(Cl)cc1,CID3239853,,,,,,,,,0.0,0.0,,,,,0.0,,
O=C1/C(=C/c2cccnc2)Oc2cc(OS(=O)(=O)c3ccccc3)ccc21,CID1964982,,,,,,,,,0.0,0.0,,,,,,,
COc1ccc(S(=O)(=O)Oc2ccc3c(c2)O/C(=C\c2cccnc2)C3=O)cc1,CID1853627,,,,,,0.0,,,,0.0,0.0,,,,0.0,,
O=C1/C(=C/c2cccnc2)Oc2cc(OS(=O)(=O)c3ccc(Cl)cc3)ccc21,CID1961574,,,,,,,,,,0.0,,,,,0.0,,
O=C1/C(=C/c2cccnc2)Oc2cc(OS(=O)(=O)c3ccc(F)cc3)ccc21,CID1858219,,,,,,,,,,,0.0,0.0,,,,,
Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)O/C(=C\c2cccnc2)C3=O)cc1,CID1965009,,,,,,,,,0.0,,0.0,,,,,,
Cc1cc(OCC(=O)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)ccc1Cl,CID4454678,0.0,,,,0.0,0.0,,,,,,,,,,,
Cc1ccc(OCC(=O)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)cc1,CID4621093,0.0,,,0.0,0.0,,,0.0,,,,,,,,0.0,
Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)COc1ccc(Cl)cc1,CID4621090,0.0,0.0,,,0.0,,,,,,1.0,,,,,,
Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)COc1ccc(Br)cc1,CID4621091,0.0,,,,,,,,,,,,,,,0.0,
COc1ccc(OCC(=O)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)cc1,CID1091683,0.0,0.0,0.0,,,,0.0,0.0,,,,,,,,0.0,
COc1ccc(C2CC(c3ccc(Cl)cc3)N=C3N=C(NC(=O)c4ccco4)NN32)cc1,CID5389943,,,,,,,0.0,,,,,,,,,,
O=C(NC1=NC2=NC(c3ccc(Cl)cc3)CC(c3ccc(Cl)cc3)N2N1)c1ccco1,CID5389792,,,,,,,0.0,,,,,,,,,,
COc1ccc(C2CC(c3ccc(OC)cc3)N3NC(NC(=O)c4ccco4)=NC3=N2)cc1,CID5389973,,,,,,,,,,,,,0.0,,,0.0,
COc1ccc(C2CC(c3ccccc3)N=C3N=C(NC(=O)c4ccco4)NN32)cc1,CID5389825,,,0.0,,,,,,,,,,0.0,,,,
O=C(NC1=NC2=NC(c3ccc(Cl)cc3)CC(c3ccccc3)N2N1)c1ccco1,CID5389966,,,,,,,0.0,,,,0.0,,,,,,
CCc1c(O)nc(SCC(=O)Nc2ccc3c(c2)CCC3)[nH]c1=O,CID655292,,0.0,,0.0,0.0,0.0,0.0,,0.0,,,,,,,0.0,
CC(C)Cc1c(O)nc(SCC(=O)Nc2ccc3c(c2)CCC3)[nH]c1=O,CID1073941,,,,,,,,,,,0.0,,,0.0,,,
CCCCc1c(O)nc(SCC(=O)Nc2ccc3c(c2)CCC3)[nH]c1=O,CID649767,,,0.0,,0.0,0.0,0.0,0.0,,,0.0,,,,,0.0,
O=C(CSc1nc(O)cc(=O)[nH]1)Nc1ccc2c(c1)CCC2,CID3238474,,0.0,,,0.0,,,0.0,0.0,,,,,,,,
CC(C)c1c(O)nc(SCC(=O)Nc2ccc3c(c2)CCC3)[nH]c1=O,CID649671,,,,,0.0,,0.0,,,,,,,,,0.0,
Cc1csc(NC(=O)CSc2nc3ccccc3s2)n1,CID974241,,,,,,,,,0.0,,,,,,,,
Cc1cnc(NC(=O)CSc2nc3ccccc3s2)s1,CID894110,,,,,,,,,0.0,,,,,0.0,,,
CCC(Sc1nc2ccc(N)cc2s1)C(=O)Nc1nccs1,CID2951915,,,,,,,,,0.0,,,,,,,,
CCCC(=O)Nc1ccc2nc(SCC(=O)Nc3nccs3)sc2c1,CID2198459,,,,0.0,0.0,,,,0.0,,,,,,,,
O=C(CSc1nc2ccccc2s1)Nc1nccs1,CID677049,,,,,,,,,,,,,,,0.0,,
Cc1ccc(O)c(C(=O)c2cnc3c(c2)CN(C)C(=O)N3)c1,CID2077864,,,,,,,,,,,,0.0,,,,,
CCCCN1Cc2cc(C(=O)c3cc(F)ccc3O)cnc2NC1=O,CID2110952,,,0.0,0.0,,,,,,,,,0.0,,0.0,,
CCCCN1Cc2cc(C(=O)c3cc(OC)ccc3O)cnc2NC1=O,CID2110953,,,,,,,,,0.0,,,,,,,,
CN1Cc2cc(C(=O)c3ccccc3O)cnc2NC1=O,CID2077855,,,,,,0.0,,,,,,0.0,,,,,
Cc1ccc(O)c(C(=O)c2cnc3c(c2)CN(CCC(C)C)C(=O)N3)c1,CID2117624,,,,,,,,,0.0,,,,0.0,0.0,,0.0,
CCc1cc2cc(C)cc(C)c2nc1SCC(=O)N1CCCC1,CID857519,,,,,,,,,,,0.0,0.0,,0.0,,,
COc1ccc2cc(C#N)c(SCC(=O)N3CCCC3)nc2c1,CID646175,,,,,,,0.0,,,,,,0.0,,,,
Cc1cc2ccccc2nc1SCC(=O)N1CCCC1,CID653072,,0.0,,0.0,,,,,,,,0.0,,,,,0.0
CCOc1ccc2cc(C#N)c(SCC(=O)N3CCCC3)nc2c1,CID654473,,0.0,,,,,0.0,,,0.0,,0.0,,,,0.0,
Cc1cc(SCC(=O)N2CCCC2)nc2ccccc12,CID656091,,,0.0,,,,,,,,,0.0,0.0,,0.0,,
COc1ccc(-c2cc(C(F)(F)F)n3nc(N)nc3n2)cc1,CID974686,,,,,,,,,0.0,,,,,,,,
COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)O)nc3n2)cc1,CID667388,,,,,,,0.0,,0.0,,,,,,,,
FC(F)(F)c1cc(-c2ccccc2)nc2ncnn12,CID719986,,,,,,,,,0.0,,,,,,,,
CSc1nc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1,CID1255621,,0.0,,,0.0,,0.0,,,,,,,,,,
COc1cccc(-c2cc(C(F)(F)F)n3nc(N)nc3n2)c1,CID1248524,0.0,,,,0.0,,,,0.0,,,,,,,,0.0
CCCn1c(O)c(C(=O)Nc2ccc(C)cn2)c(=O)c2c1CCCC2,CID660537,0.0,0.0,0.0,,,,,,0.0,,,,,,,,
CCCn1c(O)c(C(=O)Nc2ncccc2O)c(=O)c2c1CCCC2,CID660968,0.0,,,0.0,,,,,,,,,0.0,,,,
CCCn1c(O)c(C(=O)Nc2ccccn2)c(=O)c2c1CCCC2,CID653725,0.0,,,,,,0.0,,0.0,,,,,,,,
CC(C)Cn1c(O)c(C(=O)Nc2ncccc2O)c(=O)c2c1CCCC2,CID648981,0.0,,,,,,,,,,,,0.0,,,,
CCCn1c(O)c(C(=O)Nc2ncccc2C)c(=O)c2c1CCCC2,CID660559,0.0,,0.0,,,0.0,,,0.0,,0.0,,0.0,,,,
CCC(C)N1C(=O)/C(=C/c2c(NCCCOC(C)C)nc3c(C)cccn3c2=O)SC1=S,CID6297320,,,,,,1.0,,,,,,,,,,,
CCCN1C(=O)/C(=C/c2c(NCCCOCC)nc3c(C)cccn3c2=O)SC1=S,CID1983406,,,,,,0.0,,,,,,,,,0.0,,
CCCN1C(=O)/C(=C/c2c(NCCCOC(C)C)nc3c(C)cccn3c2=O)SC1=S,CID1880983,,,,,,,,,,0.0,0.0,,,,,,
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CC(C)C)C3=O)c(NCCCOC(C)C)nc12,CID1885415,,,,,,0.0,,,,,,,,,,,
C=CCN1C(=O)/C(=C/c2c(NC)nc3ccccn3c2=O)SC1=S,CID1906425,,,,,,0.0,,,,,,,,,,,
COc1cccc(C2C(C#N)=C(N)Oc3cc(C)n(Cc4ccco4)c(=O)c32)c1,CID666422,0.0,,0.0,,,,,0.0,,,,,,,,,0.0
COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccco3)c(=O)c2C1c1cccc(Cl)c1,CID666491,,,,,,,,,,0.0,,,,,,0.0,0.0
Cc1cc2c(c(=O)n1Cc1ccco1)C(c1ccccc1)C(C#N)=C(N)O2,CID4401845,,,,,,,,,,,,,,,0.0,,
COc1ccc(C2C(C#N)=C(N)Oc3cc(C)n(Cc4ccco4)c(=O)c32)cc1,CID3754311,,,,,,,,,,0.0,0.0,,,,0.0,,
CCOc1ccc(C2C(C#N)=C(N)Oc3cc(C)n(Cc4ccco4)c(=O)c32)cc1OC,CID667246,0.0,,,,,,0.0,,,,,,,,,0.0,0.0
COc1cccc(OC)c1OCCOCCn1cnc2ccccc2c1=O,CID2216206,,,0.0,,,,0.0,,,,0.0,,,,,,
CC(C)(C)c1ccc(OCCOCCn2cnc3ccccc3c2=O)cc1,CID2216525,,,,,,,,,,,,,,0.0,,,
O=c1c2ccccc2ncn1CCOCCOc1ccc([N+](=O)[O-])cc1,CID2216364,,,,,,,,,,,,,,,0.0,,
Cc1ccc(OCCOCCn2cnc3ccccc3c2=O)cc1C,CID2216700,,,,,,,,,,,,,,0.0,,,
COc1ccccc1OCCOCCn1cnc2ccccc2c1=O,CID2216420,,,,,,,0.0,,,,,,0.0,0.0,,,
Cc1cc2c(n1-c1ccc(C(N)=O)cc1)CC(C)(C)CC2=O,CID849706,,,,,,,,,,,,0.0,,,,,
Cc1cc2c(n1-c1ccc(Br)cc1)CC(C)(C)CC2=O,CID969847,,,,,,,,,,,0.0,,,,0.0,,
Cc1ccc(-n2c(C)cc3c2CCCC3=O)cc1,CID2998089,,,,,,,,,0.0,0.0,,,,,,0.0,
Cc1cc2c(n1-c1ccc(Cl)cc1)CC(C)(C)CC2=O,CID977314,,,,,,,,,,,0.0,,,0.0,,,
Cc1ccc(-n2c(C)cc3c2CC(C)(C)CC3=O)cc1C,CID977573,,,,,,0.0,,,,,,,,0.0,,,
COC(=O)C1=C(C)NC(=O)NC1C1CC=CCC1,CID2917801,,,,0.0,,0.0,,0.0,,0.0,,,,,,,
CCOC(=O)C1=C(C)NC(=O)NC1C1CC=CCC1,CID2919334,,,0.0,0.0,,,,0.0,,,,,,,0.0,,0.0
COCCOC(=O)C1=C(C)NC(=O)NC1C1CC=CCC1,CID2918918,,,,0.0,,,,0.0,,,,,,,0.0,,
CC1=C(C(=O)OC(C)C)C(C2CC=CCC2)NC(=O)N1,CID2918790,,,,,,,,,,,,,,,,,0.0
C=CCOC(=O)C1=C(C)NC(=O)NC1C1CC=CCC1,CID2923668,0.0,,,,,0.0,,,,0.0,,,,,,,0.0
CCC(C)NC(=O)CSC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccccc3)C(=O)N12,CID3244031,,,0.0,,0.0,,,,,,,,,,0.0,,
CCOC(=O)CSC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccc(OC)cc3)C(=O)N12,CID3241634,,,,0.0,0.0,,,0.0,,,,,0.0,,,,
CCC(C)NC(=O)CSC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccc(F)cc3)C(=O)N12,CID3245101,0.0,,,0.0,,,,,,0.0,,,,,,0.0,
CCOC(=O)CSC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccccc3)C(=O)N12,CID3237798,,,,,0.0,,,,,,,,0.0,,,0.0,
COCCCNC(=O)CSC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccccc3)C(=O)N12,CID3235767,,,,0.0,0.0,,,,,,,,,,0.0,,
CCCn1c(SCC(=O)NCc2ccco2)nnc1C(C)C,CID646060,0.0,0.0,,0.0,,,0.0,0.0,,,,,,,,,
CCn1c(SCC(=O)NCc2ccco2)nnc1C(C)C,CID649204,,0.0,,0.0,,,0.0,,,0.0,0.0,0.0,0.0,,,0.0,
COCCCn1c(C)nnc1SCC(=O)NCc1ccco1,CID3168557,,,,,,,,,0.0,0.0,,,,0.0,,,
CC(C)c1nnc(SCC(=O)NCc2ccco2)n1C,CID646536,,0.0,,0.0,,,0.0,0.0,0.0,0.0,,,,,,0.0,0.0
COCCn1c(SCC(=O)NCc2ccco2)nnc1C(C)C,CID3212563,,,,,,,,,0.0,,0.0,0.0,,,,,
CC(=O)c1ccc(N2C(=O)NC3(CCCCC3)C2=O)cc1,CID661395,,,,,0.0,,0.0,,0.0,0.0,,,,,0.0,,0.0
Cc1ccc(N2C(=O)NC3(CCCCC3)C2=O)cc1,CID645633,0.0,,,,0.0,,0.0,,,0.0,,,0.0,0.0,,,
Cc1cccc(N2C(=O)NC3(CCCCC3)C2=O)c1,CID940140,,,,,,,,,,,0.0,,,,,,
O=C1NC2(CCCCC2)C(=O)N1c1ccccc1,CID935597,,,,,,,,,,,,0.0,,,,,
CSc1ccc(N2C(=O)NC3(CCCCC3)C2=O)cc1,CID655058,,,,0.0,0.0,0.0,0.0,,,,,0.0,0.0,0.0,,,
Cc1n[nH]c(SCC(=O)NC(C)c2ccccc2)nc1=O,CID3129216,,0.0,0.0,0.0,,,,0.0,0.0,0.0,,,,,,,
Cc1n[nH]c(SCC(=O)NCc2ccccc2)nc1=O,CID859734,,,,,,,,,0.0,,0.0,0.0,,,,,
Cc1n[nH]c(SCC(=O)N(C)Cc2ccccc2)nc1=O,CID2368506,,0.0,,0.0,,,,,,0.0,0.0,0.0,,,,,
Cc1n[nH]c(SCC(=O)N(Cc2ccccc2)C(C)(C)C)nc1=O,CID857213,,,,,,,,,,,,,,,0.0,,
Cc1n[nH]c(SCC(=O)NCc2ccc(Cl)cc2)nc1=O,CID1404393,0.0,0.0,,,,,0.0,,,,,,,,,,0.0
CCc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3cc(C)on3)C2=O)cc1,CID1371522,,,,,,,,,,,,,,,0.0,,
Cc1cc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)no1,CID1636484,,,,,,,,,,,,,,0.0,,,
Cc1cc(NC(=O)CCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)no1,CID1636485,,,,,,,,,,,,,,0.0,,,
Cc1cc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3F)SC2=S)no1,CID2293496,,,,,,,,,,,,,,0.0,,,
Cc1cc(NC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)no1,CID1594628,,,,,,0.0,,,,,,,,,,,
O=C(COc1ccc(Cl)cc1)NCCc1ccccn1,CID2572372,,,,,,,,,,,,,,0.0,,,
Cc1ccc(OCC(=O)N(C)CCc2ccccn2)cc1,CID663233,,,0.0,0.0,0.0,,0.0,0.0,,0.0,,,,,,0.0,
N#Cc1ccc(OCC(=O)NCCc2ccccn2)cc1,CID2525644,,,,,,,,,0.0,,,,,,,,
Cc1cccc(OCC(=O)N(C)CCc2ccccn2)c1,CID936563,,,,,,,,,,0.0,,,,0.0,,,
CCC(=O)c1ccc(OCC(=O)NCCc2ccccn2)cc1,CID2595155,,,,,,,,,,,,,,0.0,,,
Clc1ccc(Cn2cccc2C2=NCCO2)cc1,CID3237840,,,0.0,,,,,,,,,,,,,0.0,
CC1(C)COC(c2cccn2Cc2ccccc2Cl)=N1,CID9551169,,,,,,0.0,,,,,,,,,,,
CC1CN=C(c2cccn2Cc2ccc(F)cc2Cl)O1,CID3244434,,,,,,0.0,,,,,,,0.0,,,,0.0
CCSCC1COC(c2cccn2Cc2ccc(C)cc2)=N1,CID3236919,,,,,,0.0,,,,,,,,,,,
CC1COC(c2cccn2Cc2ccccc2Cl)=N1,CID3236444,0.0,,,,,,,,,,,,0.0,,,0.0,0.0
Cc1cc(C)cc(NC(=S)NC2CC3CCC(C2)N3Cc2ccco2)c1,CID3217849,,,,,,0.0,,,,,,,,,,,
Cc1ccc(NC(=S)NC2CC3CCC(C2)N3Cc2ccco2)cc1C,CID3217848,,,,,,0.0,,,,,,,,,0.0,,
Cc1ccccc1NC(=S)NC1CC2CCC(C1)N2Cc1ccco1,CID3217845,,,,,,0.0,,,,,,,,,,,
CCc1ccccc1NC(=S)NC1CC2CCC(C1)N2Cc1ccco1,CID3217838,,,,,,0.0,,,,,,,,,,,
Cc1cccc(NC(=S)NC2CC3CCC(C2)N3Cc2ccco2)c1,CID3217835,,,,,,0.0,,,,,,,,,,,
COc1ccc(CCNC(=O)CC2Oc3ccc(Cl)cc3NC2=O)cc1OC,CID5309427,,,,,,,,,,,,,,,,0.0,
COc1ccc(OC)c(CCNC(=O)CC2Oc3ccc(C)cc3NC2=O)c1,CID5309812,0.0,,,,,,,0.0,,,,,,,,,
O=C(CC1Oc2ccccc2NC1=O)NCCc1ccccc1,CID5308343,0.0,0.0,,,,,,0.0,,,,0.0,,,,,
COc1ccc(OC)c(CCNC(=O)CC2Oc3ccccc3NC2=O)c1,CID5309451,0.0,,,0.0,,,0.0,,,,,,,,,,
Cc1ccc(CCNC(=O)CC2Oc3ccc(C)cc3NC2=O)cc1,CID5309114,0.0,,,0.0,,,0.0,0.0,,,,,,,,,
Cc1ccc(S(=O)(=O)N2CCCC(C(=O)NCCC3=CCCCC3)C2)cc1,CID3150980,,,,,,,,,,,,0.0,,,,,
O=C(NCCC1=CCCCC1)C1CCCN(S(=O)(=O)c2ccccc2)C1,CID2972016,,,0.0,,,,,,,,0.0,,,,,,
O=C(NCCC1=CCCCC1)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1,CID2964566,,,,,,,,,,,,,0.0,,0.0,,0.0
COc1ccc(S(=O)(=O)N2CCCC(C(=O)NCCC3=CCCCC3)C2)cc1,CID2980804,,,,,0.0,,,0.0,,,,,0.0,,,0.0,
Cc1cc(C)c(S(=O)(=O)N2CCCC(C(=O)NCCC3=CCCCC3)C2)c(C)c1,CID3152151,,,,,,0.0,,,,,,,,,,,
CCOc1ccc2c(c1)C(C)=CC(C)(C)N2S(=O)(=O)c1ccc(C)cc1,CID1069778,,,,,,,,,,,,,,0.0,,,
CC1=CC(C)(C)N(S(=O)(=O)c2ccc(C)cc2)c2ccccc21,CID687218,,,,,,0.0,,,,,,,,,,,
COc1ccc2c(c1)C(C)=CC(C)(C)N2S(=O)(=O)c1ccc(C)cc1,CID988603,,,,,,,,,,,,,,0.0,,,
CC1=CC(C)(C)N(S(=O)(=O)c2ccc(C)cc2)c2cc(C)ccc21,CID687221,,,,,,,,,,0.0,,,,0.0,,,
CC1=CC(C)(C)N(S(=O)(=O)c2ccc(C)cc2)c2ccc(C)cc21,CID604128,,,,,,,,,,,,,,0.0,,,
CCC(C)C(=O)N1CCc2cc(-c3csc(N)n3)ccc21,CID651655,,,,0.0,,,,,,,,,,,,,
CCCC(=O)Nc1nc(-c2ccc3c(c2)CCN3S(C)(=O)=O)cs1,CID1458426,,,,,,0.0,,,0.0,0.0,0.0,,,0.0,,,
CC(C)C(=O)N1CCc2cc(-c3csc(N)n3)ccc21,CID649679,,0.0,,0.0,,,,,,,,,0.0,,0.0,,0.0
CCCC(=O)N1CCc2cc(-c3nc(N)sc3C)ccc21,CID655441,,,0.0,0.0,0.0,,0.0,0.0,,,,,,,,,
CCCC(=O)N1c2ccc(-c3csc(N)n3)cc2CC1C,CID646828,,,,,,,,0.0,,,,,,,0.0,0.0,0.0
Cc1cc(C)c(S(=O)(=O)Nc2cccc3nsnc23)c(C)c1,CID3244325,0.0,0.0,,,,,0.0,,0.0,,,,0.0,,,,
O=S(=O)(Nc1cccc2nsnc12)c1ccccc1,CID1090944,,,,,,,,,0.0,,0.0,,,0.0,,,
Cc1cc(S(=O)(=O)Nc2c(C)ccc3nsnc23)ccc1F,CID1251891,,,,,,,,,,,,,,,0.0,,
COc1ccc(S(=O)(=O)Nc2c(C)ccc3nsnc23)cc1OC,CID3244577,,,,,0.0,,,,,,,,,,,,
Cc1ccc(S(=O)(=O)Nc2c(C)ccc3nsnc23)cc1,CID759631,,,,,,,,,,0.0,0.0,,,,,,
CCCc1cc(=O)nc(SCC(=O)N(CC)Cc2ccccc2)[nH]1,CID2351267,,,,,0.0,,,,,,,0.0,,,,0.0,0.0
CCC(Sc1nc(=O)cc(N)[nH]1)C(=O)NC(C(=O)OC)c1ccccc1,CID2964283,,0.0,,,,,,0.0,,0.0,,,,,,,
CCCc1cc(=O)nc(SCC(=O)N(Cc2ccccc2)C(C)C)[nH]1,CID2418460,0.0,,,,0.0,,,0.0,,,0.0,,,,,0.0,
C=CCn1c(N)cc(=O)nc1SCC(=O)NC(C)c1ccccc1,CID2942184,,,,0.0,,,,0.0,,,,,,,,,
CCCc1cc(=O)nc(SCC(=O)N(C)Cc2ccccc2)[nH]1,CID2419285,0.0,0.0,,,0.0,,,,0.0,,0.0,,0.0,,,0.0,0.0
Cc1cc(C)n(-c2ccc(Cl)c(C(=O)O)n2)n1,CID1860644,,0.0,,,,,0.0,,,,,,,,,,
CCOC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1N,CID722162,,,,,,,,,0.0,,,,,,,,
CCOC(=O)c1cnn(-c2ccccn2)c1N,CID742041,,,,0.0,,,0.0,,0.0,,,0.0,,,,,
CCNC(=O)Nc1ccc(-n2nc(C)c(C(=O)OCC)c2C)nc1,CID1477623,,,,,,,,,,,,,,,0.0,,
CN(C)/C=N/c1c(C#N)cnn1-c1ccc(C(F)(F)F)cn1,CID2998111,0.0,,,,,,,,,,,,,,,,
Cc1cccc(CSC2=CS(=O)(=O)c3ccccc3N2)c1,CID1490964,,,,,,0.0,,,,,,,,,,,
O=S1(=O)C=C(SCc2cccc(Cl)c2)Nc2ccccc21,CID1490966,,,,,,0.0,,,,,,,,,0.0,,
COc1ccc(CSC2=CS(=O)(=O)c3ccccc3N2)cc1,CID1490963,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccc(CSC2=CS(=O)(=O)c3ccccc3N2)cc1,CID1490970,,,,,,,,,,,,,,0.0,0.0,,
O=S1(=O)C=C(SCc2ccccc2)Nc2ccccc21,CID1490936,,,,,,0.0,,,,,,0.0,,0.0,,,
Cc1c(C(=O)O)oc2ccc(S(=O)(=O)NCc3ccccc3)cc12,CID3237628,,,,0.0,,,,0.0,0.0,0.0,,0.0,,,,0.0,0.0
Cc1c(C(=O)O)oc2ccc(S(=O)(=O)NCc3ccc(F)cc3)cc12,CID3235597,,,,,,,,0.0,,,,0.0,,,,,
Cc1ccc(CNS(=O)(=O)c2ccc3oc(C(=O)O)c(C)c3c2)cc1,CID3239425,,,,,,,,,0.0,0.0,,0.0,0.0,,,0.0,
CCN(Cc1ccccc1)S(=O)(=O)c1ccc2oc(C(=O)O)c(C)c2c1,CID3243798,,,,,,,,,0.0,,0.0,,,,,0.0,
COc1ccc(CNS(=O)(=O)c2ccc3oc(C(=O)O)c(C)c3c2)cc1,CID3238724,,,,,0.0,,,,0.0,,,,,,,0.0,
Cn1c(=O)[nH]c(=O)c2c1nc(NCCCn1ccnc1)n2Cc1cccc(Br)c1,CID663582,0.0,,,,,,,,0.0,,,,,,,0.0,
Cn1c(=O)[nH]c(=O)c2c1nc(NCCCn1ccnc1)n2Cc1ccc(F)cc1,CID665810,,0.0,,0.0,,,,,,,,0.0,,,,,
CC(c1ccccc1)n1c(NCCCn2ccnc2)nc2c1c(=O)[nH]c(=O)n2C,CID645860,,,,0.0,,,,,,,0.0,,0.0,,,,
Cc1ccc(Cn2c(NCCCn3ccnc3)nc3c2c(=O)n(C)c(=O)n3C)cc1,CID651578,,,0.0,0.0,,,,,0.0,0.0,,,,,,,
Cn1c(=O)[nH]c(=O)c2c1nc(NCCCn1ccnc1)n2Cc1ccccc1,CID665636,,0.0,,,,,,,,0.0,,,,,0.0,,
O=C(CN(C(=O)CCC(=O)Nc1nccs1)c1cccc(F)c1)NCC1CCCO1,CID651869,0.0,,0.0,,,,,0.0,0.0,0.0,,,,,,0.0,
O=C(CN(C(=O)CCC(=O)Nc1nccs1)c1ccc(F)cc1)NCC1CCCO1,CID646216,0.0,,,,,,,0.0,,0.0,,,0.0,,,,0.0
O=C(CN(C(=O)CCC(=O)Nc1nccs1)c1ccccc1F)NCC1CCCO1,CID647813,0.0,,,,,,,0.0,,,,,,,,,
COc1ccc(N(CC(=O)NCC2CCCO2)C(=O)CCC(=O)Nc2nccs2)cc1,CID3205684,,,,,,,,,0.0,,0.0,,,,,,
COc1ccccc1N(CC(=O)NCC1CCCO1)C(=O)CCC(=O)Nc1nccs1,CID3205682,,,,,,,,,0.0,,,,,,,,
c1ccc2c3c([nH]c2c1)CNCC3,CID107838,,,,0.0,,,,,,,,,,,0.0,,
COC(=O)C1Cc2c([nH]c3ccccc23)C(C)N1,CID593930,,,0.0,0.0,,,,0.0,,0.0,,,,,,0.0,0.0
CC1c2[nH]c3ccccc3c2CCN1S(C)(=O)=O,CID2926665,0.0,,,0.0,0.0,,0.0,,,,,,,,,,
COC(=O)C1Cc2c([nH]c3ccccc23)CN1,CID177728,,0.0,,0.0,,,,0.0,,,,0.0,,,,,
COc1ccc2c3c([nH]c2c1)C(C)NCC3,CID159809,,,,,,,,0.0,,,,,,,,,
COc1ccc(-n2ccnc2SCC(=O)NCc2ccc3c(c2)OCO3)cc1,CID3236074,0.0,,0.0,,0.0,,,,,,0.0,,,,,,
O=C(CSc1nccn1-c1ccc(F)cc1)NCc1ccc2c(c1)OCO2,CID3236687,0.0,,,,0.0,,0.0,,,0.0,,,0.0,,0.0,0.0,0.0
CCOc1ccc(-n2ccnc2SCC(=O)NCc2ccc3c(c2)OCO3)cc1,CID3238181,0.0,,,,0.0,0.0,,0.0,,,,,0.0,,,,
O=C(CSc1nccn1-c1ccccc1)NCc1ccc2c(c1)OCO2,CID3244093,0.0,,,,0.0,0.0,0.0,0.0,,,,,,,0.0,,0.0
O=C(CSc1nccn1-c1ccc(Cl)cc1)NCc1ccc2c(c1)OCO2,CID4668094,0.0,0.0,,,0.0,,0.0,,,,,,,,,,
CCN(CC)C(=S)Sc1nc(Nc2cccc(C)c2)nc(Nc2cccc(C)c2)n1,CID1927393,,,,,,0.0,,,,,,,,,,,
Clc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1,CID16088,,,,,,,,,,,,,,,0.0,,
OCCNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1,CID2195709,,,0.0,,,,0.0,,,0.0,,,,,,0.0,
CC(C)(CO)Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1,CID1102651,,,,,,,,,,0.0,,,,,,,
COc1ccc(Nc2nc(Cl)nc(Nc3ccc(OC)cc3)n2)cc1,CID23191,,,,,,,,,,,,,,,0.0,,
CCc1ccc(NC2=NCC(=O)N2Cc2ccc3c(c2)OCO3)cc1,CID656015,0.0,0.0,,,,,0.0,,0.0,,0.0,,,,,,
CCc1ccccc1NC1=NCC(=O)N1Cc1ccc2c(c1)OCO2,CID645857,0.0,0.0,,0.0,,,,,0.0,,,0.0,0.0,,,,
Cc1ccc(NC2=NCC(=O)N2Cc2ccc3c(c2)OCO3)cc1,CID654826,0.0,0.0,0.0,,,,,,,,,,,,0.0,,
Cc1ccc(NC2=NCC(=O)N2Cc2ccc3c(c2)OCO3)c(C)c1,CID650194,0.0,,,,,,,,0.0,,0.0,,0.0,,,,0.0
O=C1CN=C(Nc2ccccc2Cl)N1Cc1ccc2c(c1)OCO2,CID1454489,,,,,,,,,,,,,,,0.0,,
Cn1c(CCN2CCCCC2)nc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21,CID667327,0.0,,,0.0,0.0,,,,,,,,0.0,,,,
CC1CCN(CCc2nc3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3n2C)CC1,CID666303,0.0,,0.0,,0.0,,,,,,,,,,,,
Cn1c(CCN2CCCCC2)nc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc21,CID666616,0.0,,,,0.0,,,0.0,,0.0,,,0.0,,,0.0,
Cn1c(CCN2CCCCC2)nc2cc(NS(=O)(=O)c3ccccc3)ccc21,CID666480,0.0,,,,,0.0,0.0,,,,,,,,,0.0,
CC1CCN(CCc2nc3cc(NS(=O)(=O)c4ccccc4)ccc3n2C)CC1,CID665978,0.0,,,0.0,,0.0,0.0,,,,0.0,,,,0.0,,
Cc1ccc(C(=O)NNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1,CID775942,,,,,,,,,0.0,,,,,0.0,0.0,,
Cc1cccc(C(=O)NNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1,CID762361,,,,,,,,,0.0,,,,,0.0,,,
Cc1cccc(C(=O)NNS(=O)(=O)c2ccccc2)c1O,CID809464,,,,,,,,,,,,,,,0.0,,
O=C(NNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1Cl,CID1129578,,,,,,,,,,,,,,,0.0,,
CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2ccc(C)cc2)cc1,CID4356144,,,,,,0.0,,,,,,,,,,,
COc1ccccc1NC(=O)N(Cc1ccco1)Cc1cc2cccc(C)c2[nH]c1=O,CID648191,0.0,,0.0,,,,,,,,,,,,,,0.0
COc1ccccc1NC(=O)N(Cc1ccco1)Cc1cc2cc(C)cc(C)c2[nH]c1=O,CID650392,0.0,0.0,0.0,,,0.0,,0.0,0.0,,,0.0,,,,,
COc1ccccc1NC(=O)N(Cc1ccco1)Cc1cc2ccc(C)c(C)c2[nH]c1=O,CID652316,0.0,,,,,,,,,,,0.0,,,,,0.0
Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccco3)C(=O)Nc3ccccc3)cc12,CID654643,0.0,,,,,0.0,,,,,,,,,,,0.0
COc1ccccc1NC(=O)N(Cc1ccco1)Cc1cc2c(C)ccc(C)c2[nH]c1=O,CID649181,0.0,,0.0,,,,,0.0,0.0,,,0.0,,,,,0.0
CCOC(=O)c1c(C)nn(S(=O)(=O)c2ccc(Cl)cc2)c1NCc1ccccc1,CID986229,,,,,,,,,0.0,,0.0,0.0,,,0.0,,
CCOC(=O)c1c(C)nn(S(=O)(=O)c2ccc(F)cc2)c1NCc1ccccc1,CID986235,,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1c(C)nn(S(=O)(=O)c2ccc(C)cc2)c1NCc1ccccc1,CID986233,,,,,,,,,,0.0,0.0,,,,,,
CCOC(=O)c1c(C)nn(S(=O)(=O)c2ccccc2)c1NCc1ccccc1,CID986232,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1c(C)nn(S(=O)(=O)c2ccc(Br)cc2)c1NCc1ccccc1,CID986231,,,,,,,,,0.0,,,,,,,,
CC(=O)c1c(C)[nH]c(C(=O)OCc2cccc(Cl)c2)c1C,CID2089451,,,,,,,,,,,,,,0.0,,,
COC(=O)CCc1c(C)[nH]c(C(=O)OCc2ccccc2)c1C,CID657433,,,,,,,0.0,,,,,,,,,,
COC(=O)c1c(C)[nH]c(C(=O)OCc2ccc(F)cc2)c1C,CID657789,,,,,,,,,,,,,,,,0.0,
CC(=O)c1c(C)[nH]c(C(=O)OCc2ccc(Br)cc2)c1C,CID2105184,,,,,,,,,,,,,,,0.0,,
CC(=O)c1c(C)[nH]c(C(=O)OCc2ccccc2)c1C,CID563780,,,,,,,,,,,,,,,0.0,,
CCC(=O)Nc1c2c(nc3c1CCC3)CCCC2,CID3238395,,,,,,,,,,0.0,,,,,,,
CCC(C)C(=O)Nc1c2c(nc3c1CCC3)CCCC2,CID659322,,,,0.0,,,0.0,0.0,,0.0,,,,,,,
CCCC(=O)Nc1c2c(nc3c1CCC3)CCCC2,CID3092842,,,,,,,,,,,,0.0,,,,,
CC(C)C(=O)Nc1c2c(nc3c1CCC3)CCCC2,CID659201,,,,,,,0.0,,,,,,,,,,
CC(C)(C)C(=O)Nc1c2c(nc3c1CCC3)CCCC2,CID657647,,,,,,,0.0,,,0.0,0.0,,,,,,
Cc1ccccc1Cn1ccc(-c2ccc(Cl)cc2)c(C#N)c1=O,CID1487463,,,,,,,,,,,,,,0.0,,,
Cc1cccc(Cn2ccc(-c3ccc(Cl)cc3)c(C#N)c2=O)c1,CID1487464,,,,,,,,,,,,,,0.0,,,
N#Cc1c(-c2ccccc2)ccn(Cc2ccccc2Cl)c1=O,CID1487450,,,,,,0.0,,,,,,,,,,,
N#Cc1c(-c2ccccc2)ccn(Cc2cccc(Cl)c2)c1=O,CID1487451,,,,,,0.0,,,,,,,,,,,
N#Cc1c(-c2ccccc2)ccn(Cc2ccc(Cl)cc2)c1=O,CID1487448,,,,,,,,,,,,,,0.0,,,
CCn1cc(/C=N/NC(=O)COc2cccc(C)c2C)c(C)n1,CID831773,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)cc(OCC(=O)N/N=C/c2cn(C)nc2C)c1,CID831876,,,,,,,,,,,,,,,0.0,,
CCn1ncc(/C=N/NC(=O)COc2ccccc2)c1C,CID1225491,,,,,,,,,,,,,,0.0,,,
CCn1ncc(/C=N/NC(=O)COc2cc(C)cc(C)c2)c1C,CID831895,,,,,,,,,,,,,,0.0,,,
Cc1nn(C)cc1/C=N/NC(=O)C(C)(C)Oc1ccc(Cl)cc1,CID843591,,,,,,,,,,,,,,,0.0,,
Cn1c(=N)c(S(=O)(=O)c2ccc(Cl)cc2)cc2c(=O)n3ccccc3nc21,CID664832,0.0,,0.0,0.0,0.0,,,,0.0,,,0.0,0.0,,,,0.0
CCn1c(=N)c(S(=O)(=O)c2ccc(F)cc2)cc2c(=O)n3ccccc3nc21,CID664737,,0.0,,,0.0,,,,,0.0,,,,,,,
Cc1ccc(S(=O)(=O)c2cc3c(=O)n4ccccc4nc3n(C)c2=N)cc1,CID661773,,0.0,,,,,,0.0,0.0,,0.0,,,,,,
Cn1c(=N)c(S(=O)(=O)c2ccc(F)cc2)cc2c(=O)n3ccccc3nc21,CID665725,,,0.0,,,,,0.0,,,,,,,,,
Cn1c(=N)c(S(=O)(=O)c2ccccc2)cc2c(=O)n3ccccc3nc21,CID661265,,,,0.0,,,,,0.0,,,,,,,0.0,
CC(=O)Oc1ccc2c(=O)c(N3C(=O)c4ccccc4C3=O)c(C)oc2c1C,CID2211859,,,,,,,,,,,,,,,0.0,,
COc1ccc2c(=O)c(N3C(=O)c4ccccc4C3=O)coc2c1,CID960575,,,,0.0,,,,0.0,,,,,0.0,0.0,0.0,,
CC(=O)Oc1ccc2c(=O)c(N3C(=O)c4ccccc4C3=O)c(C)oc2c1,CID987433,,,,,,,,,,,,,,,0.0,,
COc1ccc2c(=O)c(N3C(=O)c4ccccc4C3=O)c(C)oc2c1,CID800920,,,0.0,,,,,,,,,,0.0,,,,
Cc1oc2cc(O)ccc2c(=O)c1N1C(=O)c2ccccc2C1=O,CID5310761,,,,,,0.0,,,,,,,0.0,,,,
Cc1cccn2c(=O)c(/C=C(\C#N)S(=O)(=O)c3ccccc3)c(N3CCN(C)CC3)nc12,CID1834058,,,,,,,,,,,,,,,,0.0,
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(N3CCN(C)CC3)nc3c(C)cccn3c2=O)cc1,CID1835336,0.0,,0.0,,,,,,,,,,,,,0.0,
CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccccc2)CC1,CID5389312,,,,,,,,0.0,,,,,,,,,
CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)CC1,CID5389316,,,,,,,,0.0,,,,,,,,0.0,
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(N3CCN(C)CC3)nc3ccccn3c2=O)cc1,CID1835969,,,,,,,,,,,0.0,,,,,0.0,0.0
O=C(O)c1sccc1Oc1ccc(F)cc1[N+](=O)[O-],CID2774664,,,,,,,,,0.0,,,0.0,,,,,
O=C(O)c1sccc1Oc1ccccc1[N+](=O)[O-],CID2765193,,,,,,,,,0.0,,,0.0,,,,,
COC(=O)c1sccc1Oc1c(Cl)cccc1[N+](=O)[O-],CID2765311,,,,,,,,,,,,,,0.0,,,
COC(=O)c1sccc1Oc1ccc(F)cc1[N+](=O)[O-],CID2775392,,,,,,,,,0.0,,,,,,,,
CNC(=O)c1sccc1Oc1ccc(F)cc1[N+](=O)[O-],CID2767213,,,,,,,,,,,,,,0.0,,,
CCn1c(SCC(=O)Nc2nc(C)c(C)s2)nnc1-c1cccnc1,CID653401,,0.0,,,,,0.0,,,0.0,,0.0,,,0.0,,
CCCn1c(SCC(=O)Nc2nc(C)cs2)nnc1-c1cccnc1,CID650828,0.0,0.0,,,,,0.0,,,0.0,,,0.0,,,,
CCCCn1c(SCC(=O)Nc2nc(C)cs2)nnc1-c1cccnc1,CID648616,0.0,,,0.0,,,,,,,,,,,,0.0,0.0
CCCn1c(SCC(=O)Nc2nccs2)nnc1-c1cccnc1,CID650650,0.0,0.0,,0.0,,0.0,,,,0.0,,,0.0,,,0.0,
CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1-c1cccnc1,CID648381,,0.0,0.0,0.0,,,0.0,,,,,,,,,0.0,0.0
COc1ccc(CCNc2c(C)c(C)nc3ncnn23)cc1,CID650985,,0.0,,0.0,,,,,,,,,0.0,,,,
CCc1c(C)nc2ncnn2c1NCCc1ccccc1,CID1429562,,,,,,0.0,,,,0.0,,0.0,,,,,
CCc1c(C)nc2ncnn2c1NCCc1ccc(OC)c(OC)c1,CID654843,,0.0,0.0,0.0,,,0.0,,,,,0.0,,,,,
CCc1c(C)nc2ncnn2c1NCCc1ccc(OC)cc1,CID646118,,0.0,,,,0.0,,,,,0.0,0.0,,,,,
CCOc1ccc(CCNc2cc(C)nc3ncnn23)cc1OCC,CID5308243,,0.0,,,,,,,,,,,,,,,
COc1ccc(OCCCc2c(C)n[nH]c2C)cc1,CID2057913,,,,,,,,,,,,0.0,,,,,
Cc1n[nH]c(C)c1CCCOc1ccccc1,CID4671087,,,,,,,,,,,0.0,,,,,,
Cc1cccc(OCCCc2c(C)n[nH]c2C)c1,CID2232537,,,,,0.0,,,0.0,,0.0,,,0.0,,,0.0,
COc1ccccc1OCCCc1c(C)n[nH]c1C,CID2232554,,,,0.0,0.0,0.0,,0.0,,,,,,,,0.0,0.0
COc1cccc(OC)c1OCCCc1c(C)n[nH]c1C,CID3239733,,,,0.0,0.0,0.0,,0.0,,0.0,,0.0,,,,0.0,
CCc1cccc(CC)c1-n1c(-c2cccnc2)n[nH]c1=S,CID2346919,,,,,,,,,,,,,,0.0,,,
Cc1ccc(-n2c(-c3cccnc3)n[nH]c2=S)cc1,CID823315,,0.0,0.0,0.0,,,0.0,,,,,,,,,0.0,
COc1ccccc1-n1c(-c2cccnc2)n[nH]c1=S,CID660927,0.0,0.0,,0.0,,,,0.0,,0.0,0.0,,,,,0.0,
Cc1ccccc1-n1c(-c2cccnc2)n[nH]c1=S,CID758290,,,,,,,0.0,0.0,,0.0,,0.0,,,,0.0,
S=c1[nH]nc(-c2cccnc2)n1-c1ccccc1,CID736357,,,,,,,,,,0.0,,,,,,,
CC1=C(C(=O)OCC2CCCO2)C(c2ccccc2)NC(=O)N1,CID2855564,,,,,,,,0.0,,,,,,,,,0.0
COc1cc(C2NC(=O)NC(C)=C2C(=O)OCC2CCCO2)ccc1O,CID2855572,,,,,0.0,,0.0,,0.0,,,,0.0,,,,0.0
CC1=C(C(=O)OCC2CCCO2)C(c2ccc(O)cc2)NC(=O)N1,CID2854854,,,,,0.0,,,,,,,,,,,,
CC1=C(C(=O)OCC2CCCO2)C(c2ccccc2Cl)NC(=O)N1,CID2855725,,,,,,,,,,,0.0,0.0,,,0.0,,
CC1=C(C(=O)OCC2CCCO2)C(c2cccc(O)c2)NC(=O)N1,CID2854818,,0.0,,,0.0,,,,,,,,,,,,0.0
CCOC(=O)c1c(/N=C/C2C(=O)CC(C)(C)CC2=O)sc(C)c1C,CID749702,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1cc(CC)sc1/N=C/C1C(=O)CCCC1=O,CID749709,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1c(/N=C/C2C(=O)CCCC2=O)sc(C)c1C,CID749699,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1cc(CC)sc1/N=C/C1C(=O)CC(C)(C)CC1=O,CID749711,,,,,,,,,,,,,,0.0,0.0,,
CCOC(=O)c1c(CC(C)C)csc1/N=C/C1C(=O)CCCC1=O,CID749716,,,,,,,,,,,,,,0.0,,,
COC(=O)COc1ccc(S(=O)(=O)NC2CCCCCC2)cc1,CID893472,,,,,,,,,0.0,,,,,0.0,,0.0,
CSc1ccc(S(=O)(=O)NC2CCCCCC2)cc1,CID2228353,,,0.0,,0.0,,0.0,,,,,,0.0,0.0,0.0,,
CCOc1ccc(S(=O)(=O)NC2CCCCCC2)cc1,CID975925,,,,,,,,,,,,,,0.0,,,
CCOc1cc(S(=O)(=O)NC2CCCCCC2)ccc1F,CID850128,,,0.0,,,,,0.0,,,,,,,,,0.0
COc1ccc(F)cc1S(=O)(=O)NC1CCCCCC1,CID850035,,,,,,,0.0,0.0,,,,,,,,,0.0
Cc1ccc(OCC(=O)N2CCCc3ccccc32)cc1,CID668303,,,,,,,,,0.0,0.0,,,,0.0,,,
Cc1cccc(OCC(=O)N2CCCc3ccccc32)c1,CID668306,,,,,,,,,,,,,,0.0,,,
CC(Oc1ccccc1)C(=O)N1CCCc2ccccc21,CID2904377,,,,,,,0.0,0.0,0.0,0.0,0.0,,,,,,0.0
CCOc1ccccc1OCC(=O)N1CCCc2ccccc21,CID731799,,,,,,,0.0,0.0,,,,,,,,,
Cc1ccc(OC(C)C(=O)N2CCCc3ccccc32)cc1,CID2983515,,,,,,,,,,,0.0,,,,,,
Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1,CID2464360,,,,,,,,,,,,,,,0.0,,
COc1ccccc1NC(=O)CCS(=O)(=O)c1ccccc1,CID758937,,,,,,,,,,,,,,0.0,,,
COc1ccc(NC(=O)CCS(=O)(=O)c2ccc(OC)cc2)cc1,CID3245482,,,,,,,,0.0,,,,,,,,,
CC(=O)OC(C(=O)Nc1ccccc1)C(C)S(=O)(=O)c1ccccc1,CID663942,,,,,,,,,,,,,,,,0.0,
CC(O)(CS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(C(F)(F)F)cc1,CID4678506,,,,,,,,,,,,0.0,,,,,
COc1ccc2oc(-c3ccco3)cc(=O)c2c1,CID1695868,,,,,,,,,,,,,,0.0,,,
N#CCOc1ccc2oc(-c3ccco3)cc(=O)c2c1,CID1695874,,,,,,,,,,,,,,,0.0,,
CC(=O)Oc1c(-c2ccco2)oc2ccccc2c1=O,CID1689835,,,,,,,,,,,,,,,0.0,,
O=c1cc(-c2ccco2)oc2ccc(Cl)cc12,CID254792,0.0,,,,,,,,,0.0,,,,0.0,,,0.0
O=C(O)COc1c(-c2ccco2)oc2ccccc2c1=O,CID735111,,,,,,,,,,,,,,0.0,,,
CCOc1ccccc1CNC(=O)CCN1C(=O)COc2ccccc21,CID3239905,,,,,,,,,0.0,,,0.0,,,,0.0,0.0
COc1ccccc1CNC(=O)CCN1C(=O)COc2ccccc21,CID3242687,,,,,,0.0,,,,,0.0,,,,,0.0,
COc1ccc(Br)cc1CNC(=O)CCN1C(=O)COc2ccccc21,CID3240552,0.0,,,,,,,,0.0,,0.0,,,,,,
COc1ccccc1CNC(=O)CCN1C(=O)COc2ccc(C)cc21,CID3242396,,,,,,,,,,,,,0.0,,,0.0,0.0
COc1ccc(OC)c(CNC(=O)CCN2C(=O)COc3ccccc32)c1,CID3240905,,,0.0,,,,,0.0,,0.0,,,,,0.0,0.0,
COc1cc(OC)c(-c2nn3c(C4CCCCC4)nnc3s2)cc1OC,CID663341,0.0,0.0,,,0.0,,0.0,,,0.0,0.0,,,,,,0.0
c1ccc(-c2nn3c(C4CCCCC4)nnc3s2)cc1,CID662246,,,,,,,0.0,,,,,,,,,,
CN(C)c1ccc(-c2nn3c(C4CCCCC4)nnc3s2)cc1,CID663158,,,,,0.0,,0.0,,,,0.0,,,,,0.0,
COc1ccc(-c2nn3c(C4CCCCC4)nnc3s2)cc1OC,CID662408,0.0,,,,0.0,,0.0,,,0.0,0.0,,,0.0,,,
COc1cc(-c2nn3c(C4CCCCC4)nnc3s2)cc(OC)c1OC,CID664484,0.0,,,,,,0.0,,,,,,,,,,0.0
COc1ccc2cc(C(=O)NCc3ccco3)c(=O)oc2c1,CID1351403,,,,,0.0,,0.0,,,,,,,0.0,0.0,0.0,0.0
CCOC(=O)c1ccc(CNC(=O)c2cc3cccc(OC)c3oc2=O)o1,CID1242674,,,,,,,0.0,0.0,,,,,0.0,,,,
COc1ccc2oc(=O)c(C(=O)NCc3ccco3)cc2c1,CID891600,,,,,,,,,,,,,,0.0,,,
C=CCc1cccc2cc(C(=O)NCc3ccc(C(=O)OCC)o3)c(=O)oc12,CID1298503,,,,,,,,,,,,,,,0.0,,
COc1cccc2cc(C(=O)NCc3ccco3)c(=O)oc12,CID829661,,,,,,,,,,,,,,0.0,,,
CC(=O)N1CCN(c2ccc(NCc3ccc(C(C)C)cc3)cc2)CC1,CID653102,0.0,,0.0,,,0.0,,,,,,0.0,,,,,0.0
CC(=O)N1CCN(c2ccc(NCc3ccc(C)cc3)cc2)CC1,CID644590,,,,,,,,,,,,0.0,,,,,
CC(=O)N1CCN(c2ccc(NCc3ccccc3)cc2)CC1,CID649337,0.0,,0.0,,,0.0,,,,,,,,,,,
CC(=O)N1CCN(c2ccc(NCc3ccc(F)cc3)cc2)CC1,CID833997,,,0.0,0.0,,,,0.0,0.0,,,0.0,,,,0.0,
CCc1ccc(CNc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1,CID918440,0.0,,,,,,,,,,,,,,0.0,,0.0
COc1ccc(CCNC(=O)c2cc(-c3ccccc3OC)on2)cc1OC,CID3241334,,0.0,,,,,,0.0,0.0,0.0,,,,,,,
COc1ccc(-c2cc(C(=O)NCCc3ccccc3)no2)cc1OC,CID3241390,0.0,,,0.0,,,,,,,0.0,,0.0,,,,
COc1ccccc1-c1cc(C(=O)NCCc2ccccc2)no1,CID3494860,,,,,,,,,0.0,,,0.0,,,,,
COc1ccc(CCNC(=O)c2cc(-c3ccccc3)on2)cc1OC,CID1251518,,,0.0,,,,,,0.0,0.0,,,,,,,
COc1cccc(-c2cc(C(=O)NCCc3ccccc3)no2)c1,CID3243612,,0.0,,,,,0.0,0.0,0.0,,,,,,,,0.0
CCOc1ccc(C(=O)CSc2nnc(N)s2)cc1,CID2086063,0.0,,0.0,0.0,0.0,0.0,,,0.0,0.0,,,,,,,
Nc1nnc(SCC(=O)c2cccc([N+](=O)[O-])c2)s1,CID548288,,,,,,,,,,,,,,0.0,,,
Nc1nnc(SCC(=O)c2ccccc2)s1,CID673933,,0.0,,,0.0,,,,,,,,,,,0.0,
Cc1ccc(C)c(C(=O)CSc2nnc(C)s2)c1,CID1289618,,,,,,,,,,,,,,,0.0,,
CC(=O)Nc1nnc(SCC(=O)c2ccc(F)cc2)s1,CID975509,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(OCC)c(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)c1,CID652569,0.0,,,,,,,0.0,,,,,,,,,
COC(=O)c1ccccc1NC(=O)CN1CCN(C(=O)c2ccco2)CC1,CID647022,,0.0,,,,,,0.0,,,,,,,,,0.0
O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1,CID3244267,,,,,,,,,,,,,,,,,0.0
O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1cc(C(F)(F)F)ccc1Cl,CID3238952,,,,,,,,,,,,,,,,,0.0
COc1ccc(OC)c(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)c1,CID645393,,,,,,,,,,,,,0.0,,,,
Cc1ccc(C(=O)Nc2ccc3c(c2)ncn3C)cc1,CID879820,,,,0.0,,,0.0,,,,,,,,,0.0,0.0
COc1ccccc1C(=O)Nc1ccc2c(c1)nc(CCNC(C)=O)n2C,CID2972136,,,0.0,,,,,0.0,,,,,0.0,,,,
Cn1cnc2cc(NC(=O)c3ccc(Cl)cc3)ccc21,CID948801,0.0,0.0,0.0,,,,,,,0.0,,,0.0,,,,
CCC(=O)NCCc1nc2cc(NC(=O)c3ccccc3OC)ccc2n1C,CID4895369,,,,,,,,,,,,,,,0.0,,
CCC(=O)NCCc1nc2cc(NC(=O)c3ccc(OC)cc3)ccc2n1C,CID2972460,,,,,,,,,,,0.0,,,,,,
COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCCc2ccccc21,CID658948,,,0.0,,0.0,,,,,,,,0.0,,,,0.0
COC(=O)c1[nH]c2cccc(C)c2c1NC(=O)CN1CCCc2ccccc21,CID665181,,,0.0,,0.0,,,,,0.0,0.0,,,,,,0.0
COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CN1CCCc2ccccc21,CID1914575,,,,,,,,,0.0,,0.0,0.0,,,,,
COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CCCc2ccccc21,CID658682,,,,,0.0,0.0,,,,,,,,,,,0.0
COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)CN1CCCc2ccccc21,CID664154,,,,,0.0,,,,,,,0.0,,,,,0.0
Cc1ccc(C(=O)CSc2nnc3ccccn23)c(C)c1,CID2081257,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(C(=O)CSc2nnc3ccccn23)cc1,CID2084536,,,,,,,,,,,0.0,0.0,,0.0,0.0,,
COc1ccc(C(=O)CSc2nnc3ccccn23)cc1OC,CID2107101,,,,,,,,,,,,,,,0.0,,
O=C(CSc1nnc2ccccn12)c1ccccc1,CID977187,,0.0,,0.0,,,,,,0.0,0.0,0.0,0.0,,,,0.0
O=C(CSc1nnc2ccccn12)c1ccc(OC(F)F)cc1OC(F)F,CID2998469,0.0,,,,0.0,,,,,,,0.0,,,,,0.0
COc1ccc(-n2ncc3c(NCc4ccccn4)ncnc32)cc1,CID661366,,,0.0,,,,,0.0,,,,,,,,0.0,
c1ccc(-n2ncc3c(NCc4ccccn4)ncnc32)cc1,CID866511,,,,,,,,0.0,,,,,,,,,
Clc1ccc(-n2ncc3c(NCc4ccccn4)ncnc32)cc1,CID661011,0.0,,,0.0,,,,,,,,,,,,,
Cc1cccc(-n2ncc3c(NCc4ccccn4)ncnc32)c1,CID697693,,0.0,,,,,,0.0,,,,,,,,,
Cc1ccc(-n2ncc3c(NCc4ccccn4)ncnc32)c(C)c1,CID697699,,,,,,0.0,,0.0,,,,,,,,,
Cc1cc(NC(=O)CSc2nc3c(c(=O)n2-c2ccc(Br)cc2)SCC3)no1,CID3245873,,,,,,,0.0,,,,,,,,,0.0,
Cc1cc(NC(=O)CSc2nc3c(c(=O)n2-c2ccc(Cl)cc2)SCC3)no1,CID2155434,,,,,,,,,0.0,,,,,,,,
Cc1ccc(-n2c(SCC(=O)Nc3cc(C)on3)nc3c(c2=O)SC(C)C3)cc1,CID3499113,0.0,0.0,0.0,,0.0,,,,,,,,,,,,
COc1ccc(-n2c(SCC(=O)Nc3cc(C)on3)nc3c(c2=O)SCC3)cc1,CID2155307,,0.0,0.0,0.0,0.0,,,,0.0,,0.0,,0.0,0.0,,0.0,0.0
Cc1cc(NC(=O)CSc2nc3c(c(=O)n2-c2ccccc2)SC(C)C3)no1,CID4530637,0.0,0.0,,,0.0,,,,,,,,,,,,
COc1nc(-c2ccccc2)ccc1-c1noc(-c2cccnc2)n1,CID663734,,0.0,0.0,,,,,0.0,,,,,,,,,
CCOc1nc(-c2ccc(C)cc2)ccc1-c1noc(-c2cccnc2)n1,CID2207727,0.0,,,,,,0.0,,,,,0.0,,,,,
CCOc1nc(-c2ccccc2)ccc1-c1noc(-c2cccnc2)n1,CID653342,,0.0,,,,,,,,,,,,,,,
COc1nc(-c2ccc(C)cc2)ccc1-c1noc(-c2cccnc2)n1,CID654290,,,0.0,,,0.0,,,,,,,,,,,0.0
CCOc1nc(-c2ccc(OC)cc2)ccc1-c1noc(-c2cccnc2)n1,CID647571,,,,,,,0.0,,,,,0.0,,,,,
O=C(CNS(=O)(=O)c1ccc(Br)cc1)N1CCOCC1,CID1210778,,,,,,,,,0.0,,,,,0.0,,,
COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCOCC2)cc1Cl,CID1259942,,,,,,,,,,,,,0.0,,,,
Cc1ccc(S(=O)(=O)NCC(=O)N2CCOCC2)cc1,CID801290,,,,,,,,,,0.0,,,0.0,,,,0.0
CCN(CC(=O)N1CCOCC1)S(=O)(=O)c1ccc(C)cc1,CID934568,,,,0.0,,,,0.0,,,,,0.0,,,0.0,
Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCOCC2)cc1,CID892833,,,0.0,,,,,0.0,,,,,,,,0.0,
CCCc1cc(=O)oc2c(CN3CCCC3)c(O)c(Cl)cc12,CID5389511,,,,,,,,,0.0,,,,,,,,
CCc1cc(=O)oc2c(CN3CCCC3)c(O)c(Cl)cc12,CID5389639,,,,,,,0.0,,,,,,,,,,
CCCCc1cc(=O)oc2c(CN3CCCC3)c(O)c(Cl)cc12,CID5622697,,,0.0,0.0,,,,,0.0,,,,,,,,
CCCCc1cc(=O)oc2c(CN3CCCC3)c(O)ccc12,CID5389637,,,,,,,,,,,,,,,0.0,,
CCCc1cc(=O)oc2c(CN3CCCC3)c(O)ccc12,CID5389391,,,,,,,,0.0,,,0.0,,,,,,
CC1CCCCN1C(=O)Cn1c(=O)oc2ccccc21,CID2997887,,,0.0,,,,0.0,,,,0.0,,,,,,
CC1CCCN(C(=O)Cn2c(=O)oc3ccccc32)C1,CID2997603,,,,,,0.0,0.0,,,,,,,,,,
CCC1CCCCN1C(=O)Cn1c(=O)oc2ccccc21,CID2997644,,,,,,0.0,0.0,,,0.0,,,,,0.0,,
CC1CCN(C(=O)Cn2c(=O)oc3ccccc32)CC1,CID3242945,,,0.0,,,,,0.0,,,,,,,,0.0,
O=C(Cn1c(=O)oc2ccccc21)N1CCCCC1,CID648170,,,0.0,,,0.0,,,,,,,,,,0.0,
COC(=O)C1=C(NC(=O)c2cccc(C)c2)CCS1,CID3243395,,,,,0.0,,,,,,,,,,,,
COC(=O)C1=C(NC(=O)c2ccc(C)cc2)CCS1,CID3238734,,,,,,0.0,,,,,,0.0,,,,,
CCN(CC)S(=O)(=O)c1ccc(C(=O)NC2=C(C(=O)OC)SCC2)cc1,CID3240349,,,,,0.0,,,,,,,,0.0,,,,
COC(=O)C1=C(NC(=O)c2cccc(OC)c2)CCS1,CID3241864,,,,,0.0,,,,,,,,,,,,
COC(=O)C1=C(NC(=O)c2ccc(C)c(C)c2)CCS1,CID3242715,,,0.0,,0.0,0.0,,0.0,,,,,,,,,
O=C1C=CC=C/C1=C1\NNC2=C1C(c1ccccc1)N(Cc1ccco1)C2=O,CID5389980,,,0.0,,,,,,,,,,0.0,,,,
O=C1C=CC=C/C1=C1/NNC2=C1C(c1ccccc1F)N(Cc1ccco1)C2=O,CID5390037,,,0.0,,,,,,,,,,,,,,
O=C1C=CC=C/C1=C1\NNC2=C1C(c1ccc(F)cc1)N(Cc1ccco1)C2=O,CID5390063,,,,,,,,,,,,,0.0,,,,
O=C1C=CC=C/C1=C1\NNC2=C1C(c1cccc(Cl)c1)N(Cc1ccco1)C2=O,CID5390091,,,,,,,,,,,,,,,0.0,,
O=C1C=CC=C/C1=C1\NNC2=C1C(c1cccc(O)c1)N(Cc1ccco1)C2=O,CID9551641,,,,,,0.0,,,,,0.0,,,,,,
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)c3ccncc3)c2C)c1,CID873498,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccncc2)c1C,CID873517,,,,,,0.0,,,,,,0.0,,,,,
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccncc3)c2C)c(C)c1,CID873519,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccncc3)c2C)cc1,CID873518,,,,,,,,,,,,0.0,,0.0,,,
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2ccncc2)c1C,CID873446,,,,,,0.0,,,,,,0.0,,,,,
CC(C)C(C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccccc1)C1CCCC1,CID653272,,,,,0.0,,,0.0,,,,,0.0,,0.0,,
CCCC(C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccccc1)C1CCCC1,CID646918,,0.0,,,0.0,,,,,,,,,,0.0,,0.0
CCCC(C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)C1CCCC1,CID651088,,,,0.0,0.0,,,,0.0,,0.0,0.0,0.0,,,,
O=C(CN(C(=O)CNS(=O)(=O)c1ccccc1)C1CCCC1)NCc1ccco1,CID651153,,,0.0,,0.0,,,,0.0,,0.0,,,0.0,,,
CC(C)C(C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)C1CCCC1,CID646679,0.0,,0.0,,0.0,,,,0.0,,,0.0,,,,,
NC(=O)c1cc2ccc(=O)cc-2oc1Nc1ccccc1,CID397115,,,,,0.0,,0.0,,,,,,,,,,
COc1ccc(OC)c(Nc2oc3cc(=O)ccc-3cc2C(N)=O)c1,CID653433,0.0,,,,0.0,,0.0,,,,,0.0,,,,,
COc1ccccc1Nc1oc2cc(=O)ccc-2cc1C(N)=O,CID3237130,0.0,,,0.0,0.0,,0.0,0.0,,,,0.0,,,,0.0,
Cc1ccc(Nc2oc3cc(=O)ccc-3cc2C(N)=O)cc1,CID3235952,,,0.0,0.0,0.0,,0.0,,,,,0.0,,,,,
Cc1cccc(Nc2oc3cc(=O)ccc-3cc2C(N)=O)c1,CID3245749,0.0,,0.0,,0.0,,,,,,,,0.0,,,,
COc1ccc(/C=C(/C#N)S(=O)(=O)c2ccc(C)cc2)cc1,CID1576847,,,,,,0.0,,,0.0,0.0,,,,,,,
O=S(=O)(/C=C/c1ccccc1)c1ccccc1,CID736143,,,,,,,,,,,,,,0.0,,,
N#C/C(=C\c1ccc(O)c(O)c1)S(=O)(=O)c1ccccc1,CID978069,,,,,0.0,,0.0,,,,,,,,,,0.0
CCN(CC)C(=O)COc1ccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1OC,CID2207442,,,,,,,,,,,,,,,0.0,,
Cc1ccc(S(=O)(=O)/C=C/c2ccccc2)cc1,CID757561,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C(=O)C2OC(=O)C(C)(C)C(=O)C2(C)C)cc1,CID576889,,,,,,,,,0.0,,,,,0.0,,,
Cc1cc(C)c(C(=O)C2OC(=O)C(C)(C)C(=O)C2(C)C)c(C)c1,CID2914139,,,,,,,,,0.0,,,,,,,,
CC1(C)C(=O)OC(C(=O)c2ccc(Cl)cc2)C(C)(C)C1=O,CID587311,,,,,,,,,,,,,,0.0,,,
CC1(C)C(=O)OC(C(=O)c2ccccc2)C(C)(C)C1=O,CID2908635,,,,,,0.0,,,,,,,,,,,
CC1(C)C(=O)OC(C(=O)c2ccc(C(C)(C)C)cc2)C(C)(C)C1=O,CID2916049,,,,,,,,,,,0.0,,,,,,
Cc1ccc(Nc2nc(Oc3ccc(=O)[nH]n3)nc(N(C)C)n2)cc1,CID1259263,,0.0,,0.0,,,,,,,,,,,,,
CCN(CC)c1nc(Nc2ccccc2)nc(Oc2ccc(=O)n(C)n2)n1,CID653905,,0.0,,,0.0,,,,,0.0,0.0,,,,,,
CCN(CC)c1nc(Nc2ccccc2)nc(Oc2ccc(=O)[nH]n2)n1,CID1092651,0.0,0.0,,0.0,,,,,,0.0,0.0,,,,0.0,,
CN(C)c1nc(Nc2ccccc2)nc(Oc2ccc(=O)[nH]n2)n1,CID647066,,0.0,,,,,,,,,0.0,,,,,0.0,
Cc1cccc(Nc2nc(NC(C)C)nc(Oc3ccc(=O)n(C)n3)n2)c1,CID664922,,0.0,0.0,0.0,,,,,,0.0,,,,,,,
COC(=O)c1ccc(CSc2nc3n(-c4ccc(F)cc4)[nH]cc-3c(=O)n2)o1,CID2058657,,0.0,0.0,,0.0,,,0.0,,0.0,,,,,,,
COC(=O)c1ccc(CSc2nc3n(-c4ccc(Cl)cc4)[nH]cc-3c(=O)n2)o1,CID2153003,0.0,0.0,,0.0,,,0.0,,0.0,,,0.0,,,,,
COC(=O)c1ccc(CSc2nc3n(-c4ccccc4)[nH]cc-3c(=O)n2)o1,CID2152925,0.0,0.0,,0.0,,,,,0.0,,,,,,,,
COC(=O)c1ccc(CSc2nc3n(-c4ccc(C)cc4)[nH]cc-3c(=O)n2)o1,CID2153078,,,0.0,,0.0,,0.0,,,0.0,,,,,,0.0,0.0
COC(=O)c1ccc(CSc2nc3n(-c4ccc(C)c(C)c4)[nH]cc-3c(=O)n2)o1,CID2153215,,,,,0.0,,,0.0,,,,,,,0.0,0.0,0.0
O=C(CSc1ncccn1)NCc1ccc(F)cc1,CID2592803,,0.0,,,,,0.0,0.0,,,,,,,,0.0,
O=C(CSc1ncccn1)NCc1ccccc1Cl,CID2592865,0.0,,0.0,0.0,0.0,,,,,,,,,,0.0,0.0,
O=C(CSc1ncccn1)NCc1ccccc1,CID846649,,0.0,,0.0,,,0.0,,,0.0,0.0,,,,,,0.0
Cc1ccc(CNC(=O)CSc2ncccn2)cc1,CID975891,,0.0,0.0,,,,0.0,,,0.0,0.0,,0.0,,,0.0,0.0
CC(NC(=O)CSc1ncccn1)c1ccccc1,CID650907,,0.0,,0.0,,,,,,,,,,,,0.0,
Cn1c(CO)cnc1SCc1ccccc1,CID3802708,,,,,,,,,,,,0.0,,,,,
Cn1c(CO)cnc1SCc1ccc(Cl)cc1,CID1475505,,,,,,,,,,,,,,,0.0,,
COC(=O)c1ccc(CSc2nccn2C)cc1,CID728109,,,0.0,,,,0.0,,0.0,,,0.0,0.0,,,,0.0
Cn1ccnc1SCc1ccc([N+](=O)[O-])cc1,CID712605,,,,,,,,,,,,0.0,,,0.0,,
COC(=O)c1cnc(SCc2ccc(C)cc2)n1C,CID1476011,,,,,,,,,,,,,,0.0,,,
CCOC1=C/C(=C/NNC(=O)C(=O)NCCCOC(C)C)C=C(Br)C1=O,CID6506858,,,,,,,,,,,,,,,0.0,,
COC(=O)NN/C=C1/C=C(OC)C(=O)C([N+](=O)[O-])=C1,CID15945410,,,,,,,,,,,,,,,0.0,,
CC/C(NO)=C1\C=CC(=O)C(OC)=C1,CID5413567,,0.0,,0.0,,,,0.0,,,0.0,,,,,,
COC1=C/C(=C(\S)N(C)C)C=CC1=O,CID5422833,,,,,1.0,,,,,,0.0,,,,,,
CC(NO)=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1,CID5377206,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1N(C(=O)Cn1nnc2ccccc21)C(C(=O)NCc1ccco1)c1ccncc1,CID655574,,,,,,,,,,,0.0,,,,,,
Cc1ccc(C)c(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NCc2ccco2)c2ccncc2)c1,CID647558,,,,,,,,,,0.0,,,,,,,
Cc1cccc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NCc2ccco2)c2ccncc2)c1C,CID649415,,0.0,,,,,,,,0.0,,,,,,,
Cc1cccc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NCc2ccco2)c2ccncc2)c1,CID645895,,0.0,,,,,,,,0.0,0.0,0.0,,,,0.0,
Cc1cc(C)cc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NCc2ccco2)c2ccncc2)c1,CID652972,,,,,,,,,,,,0.0,,,,,
COc1cccc(-c2nc(=S)c3c(n2CCCO)CCCC3)c1,CID2218719,,0.0,0.0,,,,0.0,0.0,,,,,,,,,0.0
CC(C)Cn1c(-c2ccccc2)nc(=S)c2c1CCCC2,CID713117,,,,,,,,,,,,,,0.0,,,
OCCCn1c(-c2ccccc2)nc(=S)c2c1CCCC2,CID1556792,,,,,,0.0,,,,,,,,,,,
CN(C)CCCn1c(-c2ccccc2)nc(=S)c2c1CCCC2,CID938946,,,,,,,,,,,,0.0,,,,,
OCCOCCn1c(-c2ccccc2)nc(=S)c2c1CCCC2,CID1582526,,,,0.0,,,0.0,0.0,,,,,,,,,0.0
Cc1cccc(NC(=O)CSc2nnc(CSc3nc(C)cc(C)n3)n2Cc2ccco2)c1,CID652065,,,,0.0,,0.0,,,,,,,,,,0.0,0.0
Cc1cc(C)nc(SCc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2Cc2ccco2)n1,CID655941,,0.0,,,,,,,,,,,,,,0.0,
Cc1ccc(C)c(NC(=O)CSc2nnc(CSc3nc(C)cc(C)n3)n2Cc2ccco2)c1,CID644400,,,0.0,,,0.0,,,,,,,,,,,0.0
Cc1cc(C)nc(SCc2nnc(SCC(=O)Nc3ccccc3C)n2Cc2ccco2)n1,CID649611,,0.0,0.0,0.0,,,,,,,,0.0,,,,0.0,
Cc1ccc(NC(=O)CSc2nnc(CSc3nc(C)cc(C)n3)n2Cc2ccco2)c(C)c1,CID653618,,0.0,0.0,0.0,,,,,,,,0.0,,,,0.0,0.0
Cc1nnc(SC(C)C(=O)Nc2ncc(Cl)cc2Cl)n1Cc1ccccc1,CID4567147,,,,,,,,,,,0.0,,,,,,
Cc1c(Cl)cnc(NC(=O)CSc2nnc(C)n2Cc2ccccc2)c1Cl,CID2088302,,,,,,,,,0.0,,,,,,,,
Cc1nnc(SCC(=O)Nc2ccc(Cl)cn2)n1Cc1ccccc1,CID2126202,0.0,0.0,,0.0,0.0,,,,,,,,,,,,0.0
Cc1nnc(SC(C)C(=O)Nc2ccc(Cl)cn2)n1Cc1ccccc1,CID2999606,0.0,,,0.0,0.0,0.0,,,,,,,,,,,0.0
Cc1nnc(SCC(=O)Nc2ncc(Cl)cc2Cl)n1Cc1ccccc1,CID2080794,,,,,,,,,,,0.0,,,,,,
CC(C)n1c(SCC(=O)NCc2ccco2)nc2c1c(=O)n(C)c(=O)n2C,CID656060,,0.0,0.0,,,,,,0.0,,,,,,,,0.0
CCn1c(SCC(=O)NCc2ccco2)nc2c1c(=O)n(C)c(=O)n2C,CID655299,,,0.0,0.0,,0.0,,0.0,,,,,,0.0,,,0.0
CCCCn1c(SCC(=O)NCc2ccco2)nc2c1c(=O)n(C)c(=O)n2C,CID3178523,,,,,,,,,0.0,,,,,,,,
Cn1c(=O)c2c(nc(SCC(=O)NCc3ccco3)n2C)n(C)c1=O,CID650947,,,,0.0,,,,,,,,,0.0,,,,
CCCn1c(SCC(=O)NCc2ccco2)nc2c1c(=O)n(C)c(=O)n2C,CID647344,,0.0,0.0,,,,,,0.0,,,,,,,,
CN(CCc1ccccn1)Cc1ccc(Cl)cc1Cl,CID779825,0.0,,,,,,,,,,,,0.0,,,,
Cc1ccc(CN(C)CCc2ccccn2)cc1,CID768447,,,,,,,0.0,,,,0.0,0.0,,,,0.0,
CN(CCc1ccccn1)Cc1ccc(Cl)cc1,CID768261,0.0,0.0,,,,,0.0,,,,0.0,,0.0,,,0.0,0.0
CCc1ccc(CN(C)CCc2ccccn2)cc1,CID768195,,,,,,,,,,,,,,,,0.0,
Cc1cccc(CN(C)CCc2ccccn2)c1,CID768370,,,,,,0.0,,0.0,,0.0,,,0.0,,,0.0,0.0
CSc1nc2c(cc1C#N)CCCCC2,CID713664,,,,,,,,,,,,,,,0.0,,
CC(Sc1nc2c(cc1C#N)CCCCC2)C(=O)O,CID3399880,,,,,,,,,,,,,,,0.0,,
CCOC(=O)CC(=O)CSc1nc2c(cc1C#N)CCCCC2,CID658096,,,,,,,,0.0,,,,,,,,,
CC(C)OC(=O)CC(=O)CSc1nc2c(cc1C#N)CCCCC2,CID1951859,,,,,,,,,,0.0,,,,,,,
COC(=O)CC(=O)CSc1nc2c(cc1C#N)CCCCC2,CID973716,,,0.0,,,,,0.0,,,0.0,,,,,,
Cc1cccc(Cn2c(=O)c3c(nc4n3CCCN4Cc3ccccc3)n(C)c2=O)c1,CID665800,0.0,0.0,,,,,0.0,0.0,,,0.0,,,,,,
Cc1ccccc1Cn1c(=O)c2c(nc3n2CCCN3Cc2ccccc2)n(C)c1=O,CID665659,0.0,0.0,0.0,,,,,,,,0.0,,0.0,,,,
Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2c1nc1n2CCCN1Cc1ccccc1,CID665660,,,,,,,,,,,,,0.0,,,,
Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc1n2CCCN1Cc1ccccc1,CID665599,0.0,,0.0,,,,,0.0,,,,,,,,,
Cc1ccc(Cn2c(=O)c3c(nc4n3CCCN4Cc3ccccc3)n(C)c2=O)cc1,CID665667,0.0,,0.0,,,0.0,,0.0,,,,,,,0.0,,
CC(C)=C1C2C=CC1C1C(=O)N(c3ccc(C)c(C)c3)C(=O)C21,CID2892019,,,,,,0.0,,,,,,,,,,,
CC(=O)Oc1cccc(N2C(=O)C3C4C=CC(C4=C(C)C)C3C2=O)c1,CID2888171,,,,,,,,0.0,,,,,,,,,0.0
CCOc1ccc(C(C)=O)cc1N1C(=O)C2C3C=CC(C3=C(C)C)C2C1=O,CID3241127,,,,,,0.0,,,,,,,,,,,
CC(=O)c1cccc(N2C(=O)C3C4C=CC(C4=C(C)C)C3C2=O)c1,CID3271604,,,,,,0.0,,,,,,,,,,,
CCCOc1ccc(N2C(=O)C3C4C=CC(C4=C(C)C)C3C2=O)cc1,CID2891585,,,,,,0.0,,,,,,,,,,,
COc1ccc(N2C(N)=C(C#N)C(c3cccnc3)C3=C2CC(C)(C)CC3=O)cc1,CID3245864,0.0,,,0.0,,,,0.0,,,,,,,,,
CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(N)=C(C#N)C2c1cccnc1,CID3236334,,0.0,,,,,,0.0,0.0,,0.0,,,,,0.0,0.0
N#CC1=C(N)N(c2ccc(Br)cc2)C2=C(C(=O)CCC2)C1c1cccnc1,CID3239715,,,,,,,,,,,0.0,,,,,0.0,
Cc1ccc(N2C(N)=C(C#N)C(c3cccnc3)C3=C2CCCC3=O)cc1,CID3236409,,,,,,0.0,,,0.0,,0.0,0.0,0.0,,0.0,0.0,
Cc1ccc(N2C(N)=C(C#N)C(c3cccnc3)C3=C2CC(C)(C)CC3=O)cc1,CID2969258,,,,,,,,,0.0,,,,,,,0.0,
O=C(O)c1ccccc1C(=O)NNc1ccc(Cl)cc1,CID2769286,,,,,,0.0,,,,,,,,,,,
O=C(O)c1ccccc1C(=O)NNc1ccc(F)cc1,CID2769287,,,,,,,,,,,,,,,0.0,,
Cc1ccccc1C(=O)NNc1ccc([N+](=O)[O-])cc1,CID3112677,,,,,,,,,,,,0.0,,,,,
COc1ccc(C(=O)NNc2ccccc2)cc1,CID27022,,,,,,,,,,,,,,,0.0,,
O=C(NNc1ccc(O)cc1)c1ccc(Br)cc1,CID3583858,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccncc2)o1,CID660454,,,,,,,,,0.0,,,,,,,0.0,0.0
O=C(CSc1nnc(-c2ccncc2)o1)Nc1ccccc1Cl,CID851257,0.0,0.0,,1.0,0.0,,,,,,,0.0,0.0,,,,
N#Cc1ccccc1NC(=O)CSc1nnc(-c2ccncc2)o1,CID2235208,,,,,,,,,,,,,,,0.0,,
Cc1ccc(NC(=O)CSc2nnc(-c3ccncc3)o2)cc1,CID937401,,,,,,0.0,,,0.0,,0.0,0.0,,,,,
COc1ccccc1NC(=O)CSc1nnc(-c2ccncc2)o1,CID662138,,,,,0.0,,,0.0,0.0,,0.0,,,,,0.0,
CCOC(=O)c1ccc(CC2S/C(=C(\C#N)C(C)=O)NC2=O)cc1,CID661729,,,,0.0,,,,0.0,0.0,,,0.0,,,,0.0,
CC(=O)/C(C#N)=C1\NC(=O)C(Cc2ccc(C)c(C)c2)S1,CID9551741,,,,,,0.0,,,,,,0.0,,,,,
CC(=O)/C(C#N)=C1\NC(=O)C(Cc2ccccc2Cl)S1,CID661711,,0.0,,,0.0,,,,,,,,,0.0,,,0.0
CC(=O)/C(C#N)=C1\NC(=O)C(Cc2ccccc2)S1,CID661462,,,0.0,0.0,,,0.0,,,,,,,,,,
CCc1ccc(CC2S/C(=C(\C#N)C(C)=O)NC2=O)cc1,CID6292469,,,,,,,,,,0.0,,,,,,,
CCSC1=N/C(=C\c2ccc3c(c2)OCO3)C(=O)S1,CID2277833,,,,,,,,,,,,,0.0,,,,
CCCSC1=N/C(=C\c2ccc3c(c2)OCO3)C(=O)S1,CID2182824,,,,,,,,,,0.0,,,,,,,
CSC1=N/C(=C\c2ccc3c(c2)OCO3)C(=O)S1,CID2055748,,,,,,,,,,0.0,,,,,,,
C=CCSC1=N/C(=C\c2cc(OC)c3c(c2)OCO3)C(=O)S1,CID2297013,,,0.0,,,,0.0,,,,0.0,,,,,,
C=CCSC1=N/C(=C\c2ccc3c(c2)OCO3)C(=O)S1,CID2297232,,,,,0.0,,0.0,,,0.0,,0.0,0.0,,,,
COc1ccc(OCCn2c(C)c(/C=N/n3cnnc3)c3ccccc32)cc1,CID1335324,,,,,,0.0,,,,,,,,,,,
COc1cccc(OCCn2c(C)c(/C=N/n3cnnc3)c3ccccc32)c1,CID2895603,0.0,,,,,0.0,,0.0,,,,,,,,,
Cc1c(/C=N/n2cnnc2)c2ccccc2n1CCOc1ccccc1,CID881134,,0.0,0.0,0.0,,,0.0,,,,,,0.0,,0.0,,
Cc1ccc(OCCn2c(C)c(/C=N/n3cnnc3)c3ccccc32)cc1,CID1335580,,0.0,,,,0.0,,,,,,,,,,,
Cc1c(/C=N/n2cnnc2)c2ccccc2n1CCOc1ccc(Cl)cc1,CID1335317,,,0.0,,,,,,,,,0.0,,,,,
CCN(CC)CCn1c2ccccc2c2cnc(N)c(C#N)c21,CID946898,,,,,,0.0,,,,,0.0,,,,,,
CN(C)/C=N/c1ncc2c3ccccc3n(CCN(C)C)c2c1C#N,CID660202,,,,0.0,,,,,,,,,,,,,
CCN(CC)CCn1c2ccccc2c2cnc(/N=C/N(C)C)c(C#N)c21,CID660132,,0.0,,,,,,,,,,0.0,,,,,
CC(=O)N(C(C)=O)c1ncc2c([nH]c3ccccc32)c1C#N,CID797821,,,0.0,,,,,,,,,,,,,,
CN(C)/C=N/c1ncc2c([nH]c3ccccc32)c1C#N,CID541532,,0.0,,0.0,,,,,,,,0.0,,,,0.0,
Cn1c(=O)cc(OCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccccc21,CID3240891,,,,,0.0,,0.0,,,,,0.0,,,,,0.0
Cc1cccc(N2CCN(C(=O)COc3cc(=O)n(C)c4ccccc34)CC2C)c1,CID3243101,,,,,0.0,,0.0,,,,,,,,,,
CCn1c(=O)cc(OCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccccc21,CID3239129,,,,,0.0,,,,,,,,,,,,0.0
Cc1cccc(N2CCN(C(=O)COc3cc(=O)n(C)c4ccccc34)CC2)c1C,CID3242139,0.0,0.0,,,0.0,,,,0.0,,,,,,,,
Cc1ccc(C)c(N2CCN(C(=O)COc3cc(=O)n(C)c4ccccc34)CC2)c1,CID3244584,0.0,,0.0,,0.0,0.0,,,,,,,,,,,
CCCC(C(=O)O)N1C(=O)/C(=C2\C(=O)N(C)c3ccccc32)SC1=S,CID6175779,,,,,,0.0,,,,,,,,,,,
O=C(O)CCC(C(=O)O)N1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=S,CID5310848,,,,0.0,,,,,,,,,,,,,
CN1C(=O)/C(=C2\SC(=S)N(C(CCC(=O)O)C(=O)O)C2=O)c2ccccc21,CID2769925,,,,,0.0,,,,,,,,,,,,
O=C(O)CCN1C(=O)/C(=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)SC1=S,CID5348691,,,,,,0.0,,,,,,,,,,,
CCN1C(=O)/C(=C2\SC(=S)N(CCCOC)C2=O)c2ccccc21,CID1960010,,,,,0.0,0.0,0.0,,0.0,,0.0,,,,0.0,,
Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)c1,CID648040,,,0.0,,0.0,,,,,,0.0,,0.0,0.0,,,0.0
Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccco2)cc1,CID647836,0.0,0.0,0.0,,,,,0.0,0.0,0.0,,,0.0,0.0,0.0,,0.0
CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2ccco2)cc1,CID1244950,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)c(C)c1,CID2204051,0.0,,,,,,0.0,,0.0,,,,,,,,0.0
CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2ccco2)cc1,CID1015406,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(NC(=O)CNC(=O)c2cccs2)cc1,CID2237216,,,,,,,,,,,,,,,0.0,,
COc1ccc(NC(=O)CN(C)C(=O)c2ccc(C)s2)cc1,CID2477339,,,,,,0.0,,,,,,,,,,,
COc1ccc(OC)c(NC(=O)CNC(=O)c2cccs2)c1,CID934503,,,,,,0.0,,,,,,0.0,,,,,
COc1cccc(NC(=O)CNC(=O)c2cccs2)c1,CID1254315,,,,,0.0,,,0.0,,,,,,,,,
CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1ccc(C)s1,CID2450346,,,,,,,,,,,,0.0,,,,,
CCN(C(=O)COC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)C1CCS(=O)(=O)C1,CID2999580,,,,,,,,,,,,,,,,0.0,
Cc1cc(C(=O)OCC(=O)N(C)C2CCS(=O)(=O)C2)c(C)n1-c1ccccc1,CID2999461,,,,,,0.0,,0.0,0.0,,,,,,,0.0,
Cc1cc(C(=O)OCC(=O)NC2CCS(=O)(=O)C2)c(C)n1-c1ccccc1,CID2997768,,,,,,,,,,0.0,,,,,,0.0,
Cc1ccc(-n2c(C)cc(C(=O)OCC(=O)N(C)C3CCS(=O)(=O)C3)c2C)cc1,CID2999378,,,,,,,,,,,0.0,,,,,,
Cc1ccc(-n2c(C)cc(C(=O)OCC(=O)N(CC(C)C)C3CCS(=O)(=O)C3)c2C)cc1,CID2999238,,,,,0.0,0.0,,,,0.0,,,0.0,0.0,,,0.0
CN(C)c1ccc(Nc2nc(-c3cccnc3)cs2)cc1,CID704601,0.0,0.0,,0.0,,,,0.0,,,0.0,,0.0,,,,
Clc1ccc(Nc2nc(-c3cccnc3)cs2)cc1,CID704584,,,,,,,,,,,0.0,0.0,,,,,
Clc1cccc(Nc2nc(-c3cccnc3)cs2)c1,CID973067,,,,,,,,,,,,,,,0.0,,
Brc1ccc(Nc2nc(-c3cccnc3)cs2)cc1,CID746617,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(Nc2nc(-c3cccnc3)cs2)cc1,CID869831,,,,,,0.0,,,,,,,,,,,
Cc1cc(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)no1,CID2084598,,,,,,,,,,,0.0,,,,,,
CCC(Sc1nc2ccccc2[nH]1)C(=O)Nc1cc(C)on1,CID644472,,0.0,,,,,,,,,0.0,,,,,0.0,
Cc1ccc2nc(SCC(=O)Nc3cc(C)on3)[nH]c2c1,CID2522692,,0.0,,0.0,,,,,,0.0,,0.0,,,,0.0,
Cc1cc(NC(=O)CSc2nc3ccccc3[nH]2)no1,CID684683,,,,,,0.0,,,,0.0,,,0.0,,,,
COc1ccc2nc(SCC(=O)Nc3cc(C)on3)[nH]c2c1,CID1250462,,,,,,,,,0.0,,0.0,,,,0.0,,
COc1ccc(CCNC(=O)CSc2nnc(-c3ccccc3)o2)cc1OC,CID650860,0.0,0.0,0.0,,0.0,,0.0,,,,0.0,,,,,0.0,0.0
COc1ccc(CCNC(=O)CSc2nnc(-c3cccc(F)c3)o2)cc1OC,CID646632,0.0,,0.0,0.0,0.0,,0.0,,,0.0,,,0.0,,,,0.0
COc1ccc(CCNC(=O)CSc2nnc(-c3cccc(C)c3)o2)cc1OC,CID645157,0.0,,0.0,,0.0,,0.0,0.0,,,,,,,,0.0,0.0
COc1ccc(CCNC(=O)CSc2nnc(-c3ccc(F)cc3)o2)cc1OC,CID644746,0.0,,,,0.0,,0.0,0.0,,,,,0.0,,,,0.0
COc1ccc(-c2nnc(SCC(=O)NCCc3ccccc3)o2)cc1,CID1073178,,,,,,,,,,,0.0,,,0.0,,,
CCOc1ccccc1NC(=O)N1CCC(n2nnc3cc(C)ccc32)CC1,CID651324,0.0,,,,,,,0.0,,,,,,,0.0,,
Cc1ccc2c(c1)nnn2C1CCN(C(=O)Nc2ccccc2)CC1,CID1469705,,,,,,,,,,,,,,0.0,,,
COc1ccc(NC(=O)N2CCC(n3nnc4cc(C)ccc43)CC2)cc1,CID1469710,,,,,,,,,,,0.0,,,,,,
CCOc1ccc(NC(=O)N2CCC(n3nnc4cc(C)ccc43)CC2)cc1,CID1469711,,,,,,,,,,0.0,0.0,,,,0.0,,
CCOc1ccc(NC(=O)N2CCC(n3nnc4ccccc43)CC2)cc1,CID1469535,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1cnc2c(C#N)c(C)nn2c1-c1ccccc1,CID5309644,,,0.0,,,,,0.0,,,,,0.0,,,0.0,
Cc1cc(-c2ccccc2)n2ncc(C#N)c2n1,CID1079878,,0.0,,0.0,,0.0,0.0,0.0,,,,0.0,,,,,0.0
N#Cc1cnn2c(-c3ccccc3)ccnc12,CID1480415,,,,,,,,,,,,0.0,,,0.0,,
Cc1cc(-c2ccccc2)n2nc(C)c(C#N)c2n1,CID754754,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1cnc2cc(C)nn2c1-c1ccccc1,CID754757,,,,,,0.0,,,0.0,,,,,0.0,,,
COc1ccccc1CNC(=O)COC(=O)c1n[nH]c2ccccc12,CID2117922,,,,,,0.0,,,0.0,,,,,,,,
COc1ccc(CNC(=O)COC(=O)c2n[nH]c3ccccc23)cc1,CID2377942,0.0,0.0,0.0,0.0,,,0.0,,0.0,,,,0.0,,,,
CCN(Cc1ccccc1)C(=O)COC(=O)c1n[nH]c2ccccc12,CID2087512,,,,,,,,,,,0.0,0.0,,0.0,,,
O=C(COC(=O)c1n[nH]c2ccccc12)NCc1ccccc1,CID2346492,,,,,,,,,,,,0.0,,,,,
COc1ccc(CNC(=O)COC(=O)c2n[nH]c3ccccc23)cc1OC,CID2161552,0.0,0.0,,,,,,,,,,,,,,,
C=CCn1c(CCNC(=O)c2cccs2)nnc1SCC(=O)Nc1cccc(Cl)c1C,CID2212582,,,,,,0.0,,,,,,,,,,,
C=CCn1c(CCNC(=O)c2cccs2)nnc1SCC(=O)Nc1cccc(C(C)=O)c1,CID2977207,,0.0,,0.0,0.0,,0.0,,0.0,0.0,,0.0,,,,0.0,0.0
CCn1c(CCNC(=O)c2cccs2)nnc1SCC(=O)Nc1cccc(Cl)c1,CID986439,,,,,,,,,0.0,,,,,,,,
C=CCn1c(CCNC(=O)c2cccs2)nnc1SCC(=O)Nc1cccc(F)c1,CID2231671,,,,,,,,,0.0,0.0,,0.0,,,,,
CCn1c(CCNC(=O)c2cccs2)nnc1SCC(=O)Nc1ccc(Cl)cc1,CID986436,,,,,,,,,0.0,0.0,,,,,,,
O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)Nc1ccc2c(c1)OCCO2,CID3238980,,,,,,,,,0.0,,,,,,,,0.0
O=C(CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)Nc1ccc2c(c1)OCCO2,CID3242209,0.0,,,0.0,,,,,,,,,,,,,
O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1ccc2c(c1)OCCO2,CID3241071,0.0,,,,0.0,,,,0.0,,,0.0,,,,,
O=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1ccc2c(c1)OCCO2,CID3243225,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)Nc3ccc4c(c3)OCCO4)CC2)c1,CID2500305,,,,,,,,,,,,,,,0.0,,
CCc1ccc(N2CC(C(=O)Nc3nnc(CC)s3)CC2=O)cc1,CID4881943,,,,,,0.0,,,,,,,,,,,
Cc1ccc(N2CC(C(=O)Nc3nnc(C(C)C)s3)CC2=O)cc1,CID645693,,0.0,,,,,,,0.0,,0.0,,,,,0.0,
Cc1ccc(N2CC(C(=O)Nc3nnc(C)s3)CC2=O)cc1,CID2963160,,0.0,,,,,,,,,0.0,,,0.0,,,
CCc1nnc(NC(=O)C2CC(=O)N(c3ccc(C)cc3)C2)s1,CID650320,,0.0,,,,,,,,,0.0,,,,,,
COCCSc1nnc(NC(=O)C2CC(=O)N(c3ccc(C)cc3)C2)s1,CID2963191,,,,,,,,,,,,,,,0.0,,
CCNC(=O)C1CC(=O)N(Cc2ccc3c(c2)OCO3)/C(=N/c2ccc(OCC)cc2)S1,CID661737,,,,,0.0,,,0.0,,,0.0,,0.0,,,,
CNC(=O)C1CC(=O)N(Cc2ccc3c(c2)OCO3)/C(=N/c2ccc(F)cc2)S1,CID648556,,0.0,,,,,,,,,,,,,0.0,,0.0
CCNC(=O)C1CC(=O)N(Cc2ccc3c(c2)OCO3)/C(=N/c2ccc(F)cc2)S1,CID647932,0.0,,,,,,0.0,0.0,,,0.0,,,,,,
CNC(=O)C1CC(=O)N(Cc2ccc3c(c2)OCO3)/C(=N/c2ccc(OC)cc2)S1,CID655737,,,,,0.0,,,,,,0.0,,,,,,
NC(=O)C1CC(=O)N(Cc2ccc3c(c2)OCO3)/C(=N/c2ccccc2)S1,CID652368,,,,,0.0,,,,,,,,,,,,
CCc1cccc(CC)c1NC(=S)NCc1ccc2c(c1)OCO2,CID714538,,,,,,,,,,,,,,,0.0,,
Cc1c(Cl)cccc1NC(=S)NCc1ccc2c(c1)OCO2,CID800363,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC(=S)NCc2ccc3c(c2)OCO3)c(C)c1,CID800266,,,,,,,,,,,,0.0,,,,,
Cc1cc(C)cc(NC(=S)NCc2ccc3c(c2)OCO3)c1,CID799965,,,,,,,,,,,,0.0,,,,,
CCc1ccccc1NC(=S)NCc1ccc2c(c1)OCO2,CID843984,,,,,,,,,,,,,,,0.0,,
O=C(Nc1cccc(F)c1)N1CCN(C/C=C/c2ccccc2)CC1,CID757333,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccc(F)cc1)N1CCN(C/C=C/c2ccccc2)CC1,CID757329,,,0.0,,,,,,,,,,,,,,
O=C(Nc1ccc(F)cc1F)N1CCN(C/C=C/c2ccccc2)CC1,CID1293981,0.0,,,0.0,,,,,,,,0.0,,,,0.0,0.0
COC(=O)c1ccccc1NC(=O)N1CCN(C/C=C/c2ccccc2)CC1,CID2211013,0.0,0.0,0.0,,,,,0.0,0.0,0.0,,0.0,,,,,
O=C(Nc1cccc(Cl)c1)N1CCN(C/C=C/c2ccccc2)CC1,CID1069720,0.0,0.0,,,,,,,,,0.0,,,,,0.0,0.0
COc1ccc(N2CCCn3c2nc2c3c(=O)n(CCc3ccccc3)c(=O)n2C)cc1,CID664178,0.0,0.0,,,,,,,,,,,,,,,
Cn1c(=O)n(CCc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(F)cc1,CID666196,0.0,,,,,,0.0,,,,,,,,,,
CCOc1ccc(N2CCCn3c2nc2c3c(=O)n(CCc3ccccc3)c(=O)n2C)cc1,CID664734,,0.0,,,,,,,,,,,,,0.0,,
COc1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(CCc3ccccc3)c(=O)n2C)cc1,CID663525,0.0,,,0.0,,,,,,,,,0.0,,,,
Cn1c(=O)n(CCc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccccc1,CID664000,,,,,,,,,,,,,0.0,,,,
CCCc1nc(SCC(=O)Nc2cc(C)on2)c2c(=O)n(C)c(=O)n(C)c2n1,CID5310443,,,,0.0,,,,,,,,,0.0,,,,
Cc1cc(NC(=O)CSc2nc(C(C)C)nc3c2c(=O)n(C)c(=O)n3C)no1,CID5310263,,0.0,,,,,0.0,,,,0.0,,,,,,
Cc1cc(NC(=O)CSc2nc(CC(C)(C)C)nc3c2c(=O)n(C)c(=O)n3C)no1,CID9550845,,,,,,,,,,0.0,,,,,,,
Cc1nc(SCC(=O)Nc2cc(C)on2)c2c(=O)n(C)c(=O)n(C)c2n1,CID4127473,,0.0,,,,,,,,,,0.0,,,,,
CCc1nc(SCC(=O)Nc2cc(C)on2)c2c(=O)n(C)c(=O)n(C)c2n1,CID5310062,,0.0,0.0,,,,,,,,,,,,,,
Cc1ccc(SCC(=O)NCc2ccco2)cc1,CID815932,,0.0,,,0.0,,,,,0.0,,,0.0,,,,
Cc1ccc(C)c(SCC(=O)NCc2ccco2)c1,CID3901438,,,,,,0.0,,,,,,,,,,,
O=C(CSc1ccc(Cl)cc1)NCc1ccco1,CID2361013,,,,,,,,,,,,,,0.0,0.0,,
O=C(CSc1ccccc1C(=O)O)NCc1ccco1,CID2433797,,,,0.0,,,,0.0,,,,0.0,,0.0,,,
O=C(CSc1ccccc1)NCc1ccco1,CID800685,,,,,,,,,,0.0,,,,,,,
Cc1nn(CCO)c2c1C(=O)CCC2,CID660882,,,0.0,,,,,0.0,,,,,,,,,
CCCc1n[nH]c2c1C(=O)C(C(=O)OC)C(C)(C)C2,CID2834783,,,,0.0,,,,0.0,,,,,,,,0.0,
CCCc1n[nH]c2c1C(=O)CC(C)(C)C2,CID2276384,,,,,,0.0,,,,,,,,,0.0,,
CCc1n[nH]c2c1C(=O)CC(C)(C)C2,CID646576,,0.0,,,,,,0.0,,,,,,0.0,,0.0,0.0
CCCCc1n[nH]c2c1C(=O)CC(C)(C)C2,CID660850,,,0.0,,,0.0,,0.0,,,,,0.0,,,0.0,
COc1ccccc1NC(=O)CSc1nnc(Cn2nnc(-c3ccccc3)n2)n1-c1ccccc1,CID647667,0.0,,,,,,,,,,0.0,0.0,,,,,
Cc1cccc(C)c1NC(=O)CSc1nnc(Cn2nnc(-c3ccccc3)n2)n1-c1ccccc1,CID651397,,,,,,,,,,0.0,0.0,,,,,,
Cc1cccc(NC(=O)CSc2nnc(Cn3nnc(-c4ccccc4)n3)n2-c2ccccc2)c1,CID653074,,0.0,,,,,,,,,0.0,,,,,,
O=C(CSc1nnc(Cn2nnc(-c3ccccc3)n2)n1-c1ccccc1)Nc1ccccc1,CID652301,,,,,0.0,,,,,,,,,,,,
O=C(CSc1nnc(Cn2nnc(-c3ccccc3)n2)n1-c1ccccc1)Nc1ccc(F)cc1,CID1305832,0.0,,,,,,0.0,,,,0.0,,,,,,
Cn1c(CSc2nc3ccccc3n2C)nc2ccccc21,CID589534,,,,,,,,,,,,,,,0.0,,
Cn1c(SCc2nc3ccccc3n2CCO)nc2ccccc21,CID744264,0.0,0.0,0.0,,,0.0,0.0,,,,,,,,,,
OCCn1c(CSc2nc3ccccc3n2CCO)nc2ccccc21,CID1334813,,,,0.0,,,,,,,,,,,,,
Cn1c(CSc2nc3ccc(Br)cc3[nH]2)nc2ccccc21,CID589406,0.0,,,,,,,,0.0,,0.0,,,,,0.0,0.0
CCn1c(CSc2nc3ccccc3n2C)nc2ccccc21,CID719677,0.0,,,,,,,,,,0.0,,0.0,,,0.0,
Cc1ccc(S(=O)(=O)NC(C)(C)CSc2ccccn2)cc1,CID975808,,,,,,,,,,,,,,,0.0,,
O=S(=O)(NCCSc1ccccn1)c1ccc(Cl)cc1,CID2059860,,,,,,,,,,,,,,0.0,,,
CC(=O)Nc1ccc(S(=O)(=O)NCCSc2ccccn2)cc1,CID2267185,,,,0.0,0.0,,0.0,,0.0,0.0,,,0.0,0.0,,0.0,
CC(C)(CSc1ccccn1)NS(=O)(=O)c1ccccc1,CID2146790,,,,,,,,,,,,,,,0.0,,
CC(C)(CSc1ccccn1)NS(=O)(=O)c1ccc(Cl)cc1,CID1146903,,,,,,,,,,,,,,0.0,0.0,,
COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cccs1,CID1908187,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cccs1,CID1722651,,,,,,,,,,,,,,0.0,,,
COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1cccs1,CID1903510,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cccs1,CID2300497,,,,,,0.0,,,,,,,,0.0,,,
CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cccs1,CID1746874,,,,,,,,,,,,,,0.0,,,
CCOC(=O)N1CCN(c2nc(-c3cccc(OC)c3)cc(C(F)(F)F)n2)CC1,CID3238796,,,,,0.0,,,,,,,,,,,,
CN1CCN(c2nc(C#N)cc(-c3ccccc3)n2)CC1,CID929445,,,,,,,,,,,,0.0,,,0.0,,
COc1ccc(-c2cc(C#N)nc(N3CCNCC3)n2)cc1,CID943399,,,,,,,,,,,,,,,0.0,,
COc1ccc(-c2cc(C(F)(F)F)nc(N3CCN(C)CC3)n2)cc1,CID2985091,,,,,0.0,,,,,,,,,,,,
CN1CCN(c2nc(C(N)=O)cc(-c3ccccc3)n2)CC1,CID661592,,,,,,,0.0,0.0,,,,,,,,0.0,
CC1CN(C(=O)CN2C(=O)c3ccccc3C2=O)CC(C)O1,CID645984,,0.0,0.0,,,,,0.0,,0.0,,,,,,,
CC(C(=O)N1CCOCC1)N1C(=O)c2ccccc2C1=O,CID660392,,,,0.0,,,,,,,,,,,,,
CC(C)C(C(=O)N1CCOCC1)N1C(=O)c2ccccc2C1=O,CID2997609,,0.0,0.0,,,,,0.0,0.0,,,,0.0,,,,
CC1CN(C(=O)C(C)N2C(=O)c3ccccc3C2=O)CC(C)O1,CID2855188,,,,,,,0.0,0.0,,0.0,,,0.0,,,,0.0
O=C(CN1C(=O)c2ccccc2C1=O)N1CCOCC1,CID95006,,,0.0,0.0,,,,,,,,,,,,,
CN1C(=O)CC(C(=O)Nc2ccc(F)cc2)S/C1=N/c1ccc2c(c1)OCO2,CID2998276,0.0,,,,,,,0.0,,,,,,,,,0.0
CCOc1ccc(NC(=O)C2CC(=O)N(C)/C(=N\c3ccc4c(c3)OCO4)S2)cc1,CID652285,,,,,0.0,,,,,,0.0,,,,0.0,,
CCOc1ccc(NC(=O)C2CC(=O)N(CC)/C(=N\c3ccc4c(c3)OCO4)S2)cc1,CID652103,,,,0.0,0.0,,,,,,,,,,,,
CCN1C(=O)CC(C(=O)Nc2ccc(F)cc2)S/C1=N/c1ccc2c(c1)OCO2,CID2998018,0.0,,,,,,,,,0.0,,,,,,,0.0
COc1ccc(NC(=O)C2CC(=O)N(C)/C(=N\c3ccc4c(c3)OCO4)S2)cc1,CID644548,,,,,0.0,,,,,,,0.0,0.0,,,,
Cn1c(=O)[nH]c(=O)c2c1nc(CN1CCN(c3ccc(F)cc3)CC1)n2CCCc1ccccc1,CID3242543,,,,,,,,,,0.0,,,0.0,,,,0.0
COc1ccc(N2CCN(Cc3nc4c(c(=O)[nH]c(=O)n4C)n3CCCc3ccccc3)CC2)cc1,CID3239501,,0.0,,,,,,,,0.0,,,,,,,
Cn1c(=O)[nH]c(=O)c2c1nc(CN1CCN(c3cccc(Cl)c3)CC1)n2CCCc1ccccc1,CID5310123,,,0.0,,,,,,,,,,,,,,
Cn1c(=O)c2c(nc(CN3CCN(c4ccccc4)CC3)n2CCCc2ccccc2)n(C)c1=O,CID666550,0.0,,,,,,,,,0.0,,0.0,,,,,0.0
Cn1c(=O)[nH]c(=O)c2c1nc(CN1CCN(c3ccccc3F)CC1)n2CCCc1ccccc1,CID3243188,,,0.0,,,,,,,,,,,,,,0.0
O=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1ccco1,CID851527,0.0,0.0,,0.0,,,,,,,,,0.0,,,,0.0
Cc1ccc(-n2nc3ccc(NC(=O)c4ccco4)cc3n2)cc1,CID738661,,,,,,,,,,,,0.0,,,0.0,,
O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccco1,CID3126582,,,,,,,,,,,0.0,0.0,,,,,
Cc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccco4)cc3n2)cc1,CID661545,0.0,0.0,,,,,,,,,,,0.0,,,0.0,0.0
O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc(Br)o1,CID3236674,0.0,,,,,,0.0,,,,,,,,,0.0,0.0
Cc1cc(C)c2[nH]c(=O)c(C(c3nnnn3C3CCCC3)N3CCOCC3)cc2c1,CID651574,,,0.0,,,,,,,,,,0.0,,,,
Cc1cccc2cc(C(c3nnnn3C3CCCC3)N3CCOCC3)c(=O)[nH]c12,CID653718,,,0.0,0.0,,,,,,0.0,,,,,,,
Cc1cc(C)c2cc(C(c3nnnn3C3CCCC3)N3CCOCC3)c(=O)[nH]c2c1,CID649344,,0.0,,,,,0.0,,,0.0,,,,,,0.0,
Cc1ccc2cc(C(c3nnnn3C3CCCC3)N3CCOCC3)c(=O)[nH]c2c1C,CID653570,,,,,,,,,,,,,0.0,,,,
Cc1ccc(C)c2[nH]c(=O)c(C(c3nnnn3C3CCCC3)N3CCOCC3)cc12,CID646526,,,0.0,,,,,,,,,,,,,,
CCOC(=O)c1[nH]c(C)c(C(=O)N2CCN(c3ccccc3)CC2)c1C,CID3240286,0.0,0.0,0.0,,,,,,,,,,,,,,
CCOC(=O)c1[nH]c(C)c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1C,CID3239680,0.0,,0.0,0.0,,,,,,,,,0.0,,,,0.0
CCOC(=O)c1[nH]c(C)c(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1C,CID3241957,,,,0.0,,,,,,,,,,,,,
CCOC(=O)c1[nH]c(C)c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1C,CID4426611,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1c(C)c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c(C)n1C,CID3235949,0.0,,,,,0.0,,,,,,,0.0,,,,
COc1cc(C2=NC3=NC4=C(C(=O)CCC4)C(c4ccc(F)cc4)N3N2)cc(OC)c1OC,CID5771484,,,,,,,,,,,,0.0,,,,,
COc1ccc(C2C3=C(CCCC3=O)N=C3N=C(c4cc(OC)c(OC)c(OC)c4)NN32)cc1OC,CID5771373,,,,,,,,,,,,,,0.0,,,
COc1ccc(C2=NC3=NC4=C(C(=O)CCC4)C(c4ccccc4)N3N2)cc1OC,CID5771290,,,,0.0,,,0.0,0.0,,,,,,,,0.0,
COc1cccc(C2C3=C(CCCC3=O)N=C3N=C(c4cc(OC)c(OC)c(OC)c4)NN32)c1,CID5771500,,,0.0,,,,,,,,,,,,,0.0,
COc1cc(C2=NC3=NC4=C(C(=O)CCC4)C(c4cccc(OC)c4OC)N3N2)cc(OC)c1OC,CID5771350,,,,,,,,0.0,,,,,,,,,
CCc1cc2ccccc2nc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1,CID647971,,,0.0,,,0.0,,0.0,,,,,0.0,,,,
CCc1cc2ccc(C)cc2nc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1,CID649232,,,0.0,,0.0,,,,,,,,,,,0.0,0.0
CCc1cc2cc(C)ccc2nc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1,CID651605,,,,,0.0,,,0.0,,,,,,0.0,,,0.0
CCc1cc2cc(C)cc(C)c2nc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1,CID656141,,,0.0,,0.0,,,0.0,,,,,,,,,0.0
CCc1cc2cccc(C)c2nc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1,CID647243,,,,,0.0,,,,,,,,,,,,
CCOC(=O)CNC(=O)c1cc(-c2ccc3c(c2)OCCO3)oc1C,CID647979,,,0.0,,,,,0.0,,,,,,,,0.0,
COC(=O)CCC(NC(=O)c1cc(-c2ccc3c(c2)OCCO3)oc1C)C(=O)OC,CID652367,,,0.0,,,,,,,,,,,,,,
Cc1oc(-c2ccc3c(c2)OCCO3)cc1C(=O)NCC(=O)O,CID900800,,,,,,,,,,,,,,,0.0,,
Cc1oc(-c2ccc3c(c2)OCCO3)cc1C(=O)O,CID900795,,,,,,,0.0,0.0,,,,,,0.0,,,
Cc1oc(-c2ccc3c(c2)OCCO3)cc1C(=O)NC(CCC(=O)O)C(=O)O,CID648220,,,,,,,,,,,,,0.0,,,,
COc1cccc(C(=O)O/N=C2\CCS(=O)(=O)c3sccc32)c1,CID1480171,,,,,,,,,,,,,,0.0,0.0,,
O=C(O/N=C1\CCS(=O)(=O)c2sccc21)c1ccccc1,CID1480155,,,,,,,,,,,,,,1.0,,,
COc1ccc(C(=O)O/N=C2\CCS(=O)(=O)c3sccc32)cc1,CID1480172,,,,,,,,,,,,,,,0.0,,
O=C(O/N=C1\CCS(=O)(=O)c2sccc21)c1ccc(F)cc1,CID1480167,,,,,,,,,,,,,,0.0,,,
Cc1cccc(C(=O)O/N=C2\CCS(=O)(=O)c3sccc32)c1,CID1480156,,,,,,,,,,,,,,0.0,1.0,,
Cc1nc2sc3c(c2c2nnc(SCC(=O)NCc4ccco4)n12)CCCC3,CID644450,0.0,0.0,,0.0,0.0,,0.0,,,,,,,,,0.0,
O=C(CSc1nnc2c3c4c(sc3ncn12)CCCC4)NCc1ccco1,CID653834,0.0,0.0,0.0,0.0,0.0,,0.0,,0.0,,,,,,,0.0,0.0
CCSc1nc2sc3c(c2c2nnc(SCC(=O)NCc4ccco4)n12)CCCC3,CID660817,,,,,0.0,,0.0,,,,,0.0,,,,,
CC(C)Sc1nc2sc3c(c2c2nnc(SCC(=O)NCc4ccco4)n12)CCCC3,CID665737,,,,,,,0.0,,,,,0.0,,,,0.0,
CC1CCc2c(sc3ncn4c(SCC(=O)NCc5ccco5)nnc4c23)C1,CID651974,0.0,0.0,,,,,0.0,,0.0,0.0,,,0.0,,,0.0,0.0
NC(=O)Cn1cnc(-c2ccccc2)c1,CID645126,,,,,,0.0,,0.0,,,,,0.0,,,,
Nc1nc(-c2ccccc2)cn1N,CID765290,,,,,,,,,,,,0.0,,,,,
CCOC(=O)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)c1,CID892662,,,,,,,,,,,,,,0.0,,,
Nc1nc(-c2ccc(Cl)cc2Cl)cn1N,CID658456,,,,,,,0.0,,,,,0.0,,,,0.0,
CCOc1ccc(-c2cn(CCC#N)cn2)cc1,CID654871,,,,,,0.0,,0.0,,,,,,,,0.0,
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc2c(c1)OCO2,CID2334393,,,,,,,,,,0.0,0.0,0.0,,0.0,0.0,,
O=C(NCc1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)N2CCOCC2)c1,CID1299351,,,,,,,,,,,,,,0.0,,0.0,
Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCOCC1,CID1081048,,,0.0,,0.0,,,,,,,,,,0.0,0.0,0.0
CC1CN(S(=O)(=O)c2cccc(C(=O)NCc3ccc4c(c3)OCO4)c2)CC(C)O1,CID2999798,,,0.0,,0.0,,,,,0.0,0.0,,0.0,,,0.0,0.0
O=C(NCc1ccc2c(c1)OCO2)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1,CID2147838,,,,,,,,,0.0,,,0.0,,,,,
Cn1c(=O)c2c(nc(CN3CCN(c4ccccc4)CC3)n2CCc2ccccc2)n(C)c1=O,CID667154,0.0,,,0.0,,,,,,,,,,,,,0.0
Cn1c(=O)c2c(nc(CN3CCN(c4cccc(Cl)c4)CC3)n2CCc2ccccc2)n(C)c1=O,CID667336,,,,,,,,,,,0.0,,,,,,
Cn1c(=O)[nH]c(=O)c2c1nc(CN1CCN(c3ccccc3F)CC1)n2CCc1ccccc1,CID5310506,,,0.0,,,,,,,,,,,,,,
Cn1c(=O)[nH]c(=O)c2c1nc(CN1CCN(c3cccc(Cl)c3)CC1)n2CCc1ccccc1,CID3243067,,,,,,,,,,,,,,,0.0,,
Cc1ccc(Cl)cc1N1CCN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2CCc2ccccc2)CC1,CID3245092,0.0,,,,,,,,,,,,,,,,
COc1ccccc1NC(=O)N1CCCC1C(=O)NCc1ccc2c(c1)OCO2,CID3219705,,,,,,0.0,,,0.0,,,,,,,,
O=C(NCc1ccc2c(c1)OCO2)C1CCCN1C(=O)Nc1ccccc1,CID2974986,,0.0,0.0,0.0,,,,,0.0,,,0.0,0.0,,,,0.0
O=C(NCc1ccc2c(c1)OCO2)C1CCCN1C(=O)Nc1cccc(Cl)c1,CID649625,0.0,,,,,,,,,0.0,,,0.0,,,0.0,
O=C(NCc1ccc2c(c1)OCO2)C1CCCN1C(=O)Nc1ccc(F)cc1,CID648234,,,0.0,,,,,,,,,,,,,0.0,
O=C(NCc1ccc2c(c1)OCO2)C1CCCN1C(=O)Nc1cccc(F)c1,CID647565,,,0.0,,,,,,,,,,0.0,,,,
COc1ccc(N2C(=O)CSC23CCCCC3)cc1,CID753453,,,,,0.0,,0.0,,,0.0,,,,,,,
CCOc1ccc(N2C(=O)CSC23CCCCC3)cc1,CID646736,,,,,0.0,0.0,,,0.0,0.0,,,,,,,
COc1ccc(N2C(=O)CSC23CCC(C(C)(C)C)CC3)cc1,CID919617,,,,,,,,,,0.0,,,,,,,
CC1CCC2(CC1)SCC(=O)N2c1ccccc1,CID704432,,,,,,,,,,0.0,,0.0,,,,,
CC(C)(C)C1CCC2(CC1)SCC(=O)N2c1ccccc1,CID4143050,,,,,,0.0,,,,,0.0,0.0,,,,,
O=C/C(=N\Nc1ccccc1Cl)C(=O)c1ccccc1,CID1476725,,,,,,,,,,,,,,0.0,,,
N#C/C(=N\Nc1ccccc1Cl)C(=O)c1ccccc1,CID830562,,,,,,0.0,,,,,,,,,,,
CO/N=C/C(=N\Nc1ccc(C)cc1)C(=O)c1ccc(OC)cc1,CID6798908,,,,,,0.0,,,,,,,,,,,
CO/N=C/C(=N\Nc1ccc(OC)cc1)C(=O)c1ccc(OC)cc1,CID6827493,,,,,,0.0,,,,0.0,,,,,,,
Cc1ccc(N/N=C(\C=O)C(=O)c2ccc(Cl)cc2)cc1,CID1471444,,,,,,,,,,,,,,0.0,,,
COc1ccc(N/C(C)=C2\C(=O)COC2=O)cc1,CID788477,,,0.0,,,,,0.0,,,,,0.0,,,0.0,
C/C(Nc1ccccc1C)=C1\C(=O)OC(C)C1=O,CID5310924,,,0.0,0.0,,,0.0,0.0,,,,,0.0,,,,
COc1ccc(OC)c(N/C(C)=C2\C(=O)COC2=O)c1,CID5389031,,,,,,,0.0,,,,,,,,,,
CS/C(Nc1ccccc1)=C1/C(=O)COC1=O,CID1917290,,,0.0,,0.0,,0.0,0.0,,,,0.0,,,,,0.0
CCS/C(Nc1ccccc1)=C1/C(=O)COC1=O,CID1884227,,,,,0.0,,0.0,,,,,,,0.0,,,
Cc1ccc(N2C(=O)CSC23C(=O)Nc2ccccc23)cc1,CID647266,0.0,,,,0.0,,,0.0,,,,0.0,,,,,
Cc1ccc(N2C(=O)CSC23C(=O)Nc2ccccc23)cc1Cl,CID2878478,,,,,,0.0,,,,,,,,,,,
O=C1CSC2(C(=O)Nc3ccccc32)N1c1cccc(Cl)c1,CID2878309,,,,,,0.0,,,,,,,,,,,
COc1ccc(N2C(=O)CSC23C(=O)Nc2ccccc23)cc1OC,CID660375,,,,0.0,0.0,,,0.0,,,,,,,,,
CCOC(=O)c1ccc(N2C(=O)CSC23C(=O)Nc2ccccc23)cc1,CID2876784,,,,,,0.0,,,,,,,,,,,
CCCCn1c(=O)c(C(=O)c2ccccc2)nc2ccccc21,CID2009803,,,,,,0.0,,,0.0,,,,,0.0,,,
O=C(c1ccccc1)c1nc2ccccc2[nH]c1=O,CID663911,,,,,,0.0,0.0,,,,,,,0.0,,,
Cn1c(=O)c(C(=O)c2ccccc2)nc2ccccc21,CID665221,0.0,,,,,,,,0.0,,,,,,0.0,0.0,
CCCn1c(=O)c(C(=O)c2ccccc2)nc2ccccc21,CID2044862,,,,,,0.0,,,,,0.0,,,,,,
CCCCCn1c(=O)c(C(=O)c2ccccc2)nc2ccccc21,CID2016912,,,,,,0.0,,,,,,,,,,,
COc1ccc(C2C3=C(CC(C)(C)CC3=O)N=C3NNC(C)=C32)cc1,CID5742535,,0.0,,,,,,,0.0,,,,,,,,
CC1=C2C(=NC3=C(C(=O)CC(C)(C)C3)C2c2cccc(O)c2)NN1,CID5742481,,,,,,0.0,,,,,,,,,0.0,,
CC1=C2C(=NC3=C(C(=O)CC(C)(C)C3)C2c2ccccc2)NN1,CID5706819,,,,,,0.0,,,,,0.0,0.0,,,,,
CC1=C2C(=NC3=C(C(=O)CC(C)(C)C3)C2c2ccc(C)cc2)NN1,CID5742470,,,,,,0.0,,,,,,,,,,,
CC1=C2C(=NC3=C(C(=O)CC(C)(C)C3)C2c2ccc(F)cc2)NN1,CID5771498,0.0,,,,,,,0.0,,,,,,,,,
Cc1ccccc1N(C)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCC3CCCO3)c(=O)c2c1,CID3244021,,0.0,0.0,,0.0,,,0.0,,,,,,,,,0.0
CCOc1ccc(N(C)S(=O)(=O)c2ccc3[nH]cc(C(=O)NCC4CCCO4)c(=O)c3c2)cc1,CID3245770,,,,,0.0,,,0.0,,,,,,,,,
CCc1ccccc1NS(=O)(=O)c1ccc2[nH]cc(C(=O)NCC3CCCO3)c(=O)c2c1,CID3242580,,,,,0.0,,,,,,,,,,0.0,,0.0
CCc1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCC4CCCO4)c(=O)c3c2)cc1,CID3241208,,,,,0.0,,,0.0,0.0,,0.0,,0.0,,,,0.0
CCOc1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCC4CCCO4)c(=O)c3c2)cc1,CID3243407,,,,,0.0,,,,,,,,0.0,,,,0.0
Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)NCc2ccco2)CC1,CID3242637,0.0,0.0,,,,0.0,,,,,,,,,,,0.0
CCc1ccc(-c2nc(CN3CCC(C(=O)NCc4ccco4)CC3)c(C)o2)cc1,CID3243286,0.0,,,,,0.0,,,,,,,,,,,
Cc1oc(-c2ccccc2F)nc1CN1CCC(C(=O)NCc2ccco2)CC1,CID3242398,0.0,,,,,,,0.0,,0.0,,,,,,,
Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC(C(=O)NCc2ccco2)CC1,CID3236063,0.0,,0.0,,,,,,,,,,,,,0.0,0.0
Cc1ccccc1-c1nc(CN2CCC(C(=O)NCc3ccco3)CC2)c(C)o1,CID3237752,0.0,,,,,0.0,,,,,0.0,0.0,,,,,0.0
CCOc1ccccc1N1C(=O)CC(Sc2ncccc2C(=O)O)C1=O,CID2972938,,,,0.0,,,,,,,,,,,,0.0,
CCCCOc1ccccc1N1C(=O)CC(Sc2ncccc2C(=O)O)C1=O,CID2940408,,,,,,,,0.0,,,,,,,,0.0,
CCOc1ccc(N2C(=O)CC(Sc3nc(C)cc(C)c3C#N)C2=O)cc1,CID645889,,0.0,,,,0.0,,,,,,,,,,,0.0
O=C(O)c1cccnc1SC1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O,CID2873767,,,,,0.0,,,,,,,,,,,,0.0
COc1ccccc1N1C(=O)CC(Sc2ncccc2C(=O)O)C1=O,CID2947761,,,0.0,,,,,,,,,,0.0,,,0.0,
COc1cccc(NC(=S)NN2CCN(C)CC2)c1,CID886159,,,,,,,,,,,,,,0.0,,,
CC(C)c1ccc(NC(=S)NN2CCN(C)CC2)cc1,CID972831,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1NC(=S)NN1CCN(C)CC1,CID686649,,,,,,,,,,0.0,0.0,,,,,,
COc1ccc(NC(=S)NN2CCN(C)CC2)cc1OC,CID970475,,,,,,,,,,,,,,0.0,,,
Cc1cccc(NC(=S)NN2CCN(C)CC2)c1C,CID799719,,,,,,,,,,0.0,0.0,0.0,,,,,
COc1ccccc1N1CCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1,CID5310089,,,,0.0,,,,0.0,,,,,,,,,
Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)CC1,CID3241849,0.0,0.0,,0.0,0.0,,,,0.0,,,0.0,0.0,,,,
Cn1cc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(=O)n(C)c1=O,CID5310357,,,,,,,0.0,,0.0,,,,,,,,
Cn1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c(=O)n(C)c1=O,CID9551572,,,,,,,,,,0.0,,,,,,,
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1,CID3244279,,0.0,,,0.0,,,,,,,0.0,,,,,0.0
COc1ccc(C(=O)NCc2cn3cccc(C)c3n2)cc1OC,CID3547707,0.0,,,,,,,,,,,,,,,,
O=C(NCc1cn2ccccc2n1)c1ccccc1,CID589891,,,,0.0,,,,,,,,,,,,,
COc1ccc(C(=O)NCc2cn3ccccc3n2)cc1,CID3243181,,,,,,,0.0,,,,0.0,,,,,,
COc1cc(C(=O)NCc2cn3ccccc3n2)cc(OC)c1OC,CID3241191,0.0,,,0.0,,,,,,,,,,,,,
COc1cc(C(=O)NCc2cn3cccc(C)c3n2)cc(OC)c1OC,CID4442363,0.0,,0.0,,,,,,,,,,,,,0.0,0.0
O=C(Nc1cccc(O)c1)c1noc2c1CCCCC2,CID4053939,,,,,,,,,,0.0,0.0,,,,,,
Cc1ccc(NC(=O)c2noc3c2CCCCC3)cc1,CID3243693,0.0,,,,0.0,0.0,0.0,0.0,,,,,,,,,0.0
Cc1ccc(NC(=O)c2noc3c2CCCCC3)cc1C,CID3236688,0.0,,,0.0,0.0,,0.0,,,,,,,,,,0.0
CCc1ccc(NC(=O)c2noc3c2CCCCC3)cc1,CID3240580,0.0,,,,0.0,,,,,0.0,,,,,,0.0,
CC(=O)c1ccc(NC(=O)c2noc3c2CCCCC3)cc1,CID3244362,,,,,0.0,,,,,,,,,,,,0.0
Cc1cccc2cc3c(N)c(C(=O)N4CCOCC4)sc3nc12,CID648208,,0.0,,0.0,0.0,,,,0.0,0.0,,,,0.0,,0.0,
Cc1ccc2cc3c(N)c(C(=O)N4CCOCC4)sc3nc2c1,CID652702,,0.0,,,0.0,,,,0.0,,,,,0.0,,,
Cc1ccc2nc3sc(C(=O)N4CCOCC4)c(N)c3cc2c1,CID646043,,,,0.0,0.0,,,0.0,0.0,0.0,,,,,,,
Cc1ccc(C)c2nc3sc(C(=O)N4CCOCC4)c(N)c3cc12,CID865023,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)c2cc3c(N)c(C(=O)N4CCOCC4)sc3nc2c1,CID856690,,,,,,,,,,,,,,0.0,,,
Cc1ccc2[nH]c(=O)c(CN(Cc3cccs3)Cc3nnnn3CC3CCCO3)cc2c1,CID649550,0.0,,0.0,0.0,,,,,,,0.0,,0.0,,,0.0,0.0
Cc1cc2cc(CN(Cc3cccs3)Cc3nnnn3CC3CCCO3)c(=O)[nH]c2cc1C,CID644586,0.0,,,0.0,,,,,,,0.0,,,,,0.0,
Cc1cc(C)c2cc(CN(Cc3cccs3)Cc3nnnn3CC3CCCO3)c(=O)[nH]c2c1,CID647031,0.0,,,,,,0.0,,,,0.0,,,,,0.0,
Cc1ccc2cc(CN(Cc3cccs3)Cc3nnnn3CC3CCCO3)c(=O)[nH]c2c1,CID644918,0.0,,,,,,,,,,0.0,,,,,,0.0
Cc1ccc2cc(CN(Cc3cccs3)Cc3nnnn3CC3CCCO3)c(=O)[nH]c2c1C,CID654214,0.0,,0.0,,,,0.0,,,,0.0,,,,,0.0,
CCC1(NC(C)=O)CC2CC1CC2NC(C)=O,CID663462,,0.0,,,,,,0.0,,0.0,,0.0,,,,,
O=C(O)CCC(=O)OC1CC2CCC1C2,CID565087,,,,,,,,,,,0.0,,,,,,
COCCOCCOCCC(=O)NC1CC2CCC1(C)C2(C)C,CID379927,,,,,,,,0.0,,,,,,0.0,,,0.0
NC(=O)COC(=O)CC1CC2CCC1C2,CID4364191,,,,,,,,,,,,,,0.0,,,
CCOC(=O)CCC(=O)OCC(=O)NC(C)C1CC2CCC1C2,CID2999760,,,,0.0,,,,,,0.0,,,,,,,
Cc1nc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)sc1C,CID1300253,,,,,,,,,0.0,,,0.0,,0.0,,,
Cc1cnc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)s1,CID2093865,,,,,,,,,0.0,,,,,,,,0.0
CC(NS(=O)(=O)c1ccccc1)C(=O)Nc1nccs1,CID2998088,0.0,,0.0,,,,0.0,,,0.0,,0.0,,,,,
CN(CC(=O)Nc1nccs1)S(=O)(=O)c1ccc(F)cc1,CID2666565,,,,0.0,0.0,,0.0,,,,,,,0.0,,,
Cc1nc(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)sc1C,CID1253910,,,,,,,,,0.0,,0.0,,,,,,
CCSC1(SCC)N=C(N)C2(C#N)C(c3ccccc3)NC(C)=C(C)C12C#N,CID659865,,,,,,,,,,,,,,,,0.0,
CCSC1(SCC)N=C(N)C2(C#N)C(c3ccccc3)NC(C)=CC12C#N,CID2879589,,,,,,,,,,0.0,,,,,,,
CCCCSC1(SCCCC)N=C(N)C2(C#N)C(c3ccccc3)NC(C)=CC12C#N,CID3806266,,,,,,0.0,,,,,,,,,,,
CCCCSC1(SCCCC)N=C(N)C2(C#N)C(c3ccccc3)NC(C)=C(C)C12C#N,CID3316095,,,,,,0.0,,,,,,,,,,,
COC1(OC)N=C(N)C2(C#N)C(c3ccccc3)NC(C)=CC12C#N,CID3721360,,,,,,,,,,,0.0,,,,,,
Cc1ccc2nsnc2c1S(=O)(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)CC1CCCO1,CID645509,,,0.0,,0.0,,,,,,,,,,,,
Cc1ccc2cc(CN(CC3CCCO3)S(=O)(=O)c3c(C)ccc4nsnc34)c(=O)[nH]c2c1,CID652433,,,0.0,,0.0,,0.0,,,,0.0,,,,,0.0,0.0
Cc1ccc2[nH]c(=O)c(CN(CC3CCCO3)S(=O)(=O)c3cccc4nsnc34)cc2c1,CID649043,,,,,0.0,,,,,,,,0.0,,,0.0,0.0
Cc1ccc2cc(CN(CC3CCCO3)S(=O)(=O)c3cccc4nsnc34)c(=O)[nH]c2c1,CID652492,,,0.0,,0.0,0.0,,,,,0.0,,,,,0.0,
Cc1ccc2[nH]c(=O)c(CN(CC3CCCO3)S(=O)(=O)c3c(C)ccc4nsnc34)cc2c1,CID647338,,,,,0.0,,,,,,,,,,,,0.0
CCCn1c(SCC(=O)Nc2nnc(C(C)C)s2)nc2c1c(=O)n(C)c(=O)n2C,CID654808,0.0,0.0,,0.0,,,,,,,,,,,,0.0,0.0
CCCCn1c(SCC(=O)Nc2nnc(C(C)C)s2)nc2c1c(=O)n(C)c(=O)n2C,CID646658,,,,,,,,,,,0.0,,0.0,,,,
CCCCn1c(SCC(=O)Nc2nnc(CC)s2)nc2c1c(=O)n(C)c(=O)n2C,CID649032,,,,,,,,,,,,0.0,,,,0.0,0.0
CCCn1c(SCC(=O)Nc2nnc(CC)s2)nc2c1c(=O)n(C)c(=O)n2C,CID645865,,0.0,,,,,,,,,,,,,,0.0,
CCCCn1c(SCC(=O)Nc2nnc(C)s2)nc2c1c(=O)n(C)c(=O)n2C,CID653722,,,,,,,,,,,0.0,,,,,0.0,0.0
COC(=O)c1ccc(Oc2nc(C(N)=O)cc(-c3ccccc3)n2)cc1,CID947334,,,,,,,,,0.0,,,,,,,,
N#Cc1ccc(Oc2nc(C(N)=O)cc(-c3ccccc3)n2)cc1,CID943866,,,,,,,,,,,0.0,0.0,,,0.0,,
NC(=O)c1cc(-c2ccccc2)nc(Oc2ccccc2)n1,CID661634,,0.0,,,,,0.0,0.0,,,0.0,0.0,0.0,,,,
COc1ccc(Oc2nccc(-c3ccc(Cl)cc3)n2)cc1,CID1487611,,,,,,,,,,,,,,0.0,,,
N#Cc1cc(-c2ccccc2)nc(Oc2ccccc2)n1,CID935722,,,,,,,,,,,,,,,0.0,,
COC(=O)c1ccccc1NC(=O)c1noc2c1CCCC2,CID3243709,,,0.0,,,,,0.0,0.0,,,,,,,,0.0
COC(=O)c1ccccc1NC(=O)c1noc2c1CC(C(C)(C)C)CC2,CID3239953,,,,,0.0,,0.0,,0.0,,,0.0,,,,,
CC(C)(C)C1CCc2onc(C(=O)Nc3ccc(F)cc3F)c2C1,CID3244865,,,,0.0,,,,,,,,,,0.0,,,0.0
O=C(Nc1cc(Cl)ccc1Cl)c1noc2c1CCCC2,CID5307719,,,,0.0,,,,,,,,,,,,,
COc1cc(NC(=O)c2noc3c2CCCC3)c(OC)cc1Cl,CID3245608,0.0,,,,,,,,,,0.0,,,0.0,,0.0,0.0
N#Cc1ccc(OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1,CID2366925,,,,,,,,,,,,,,,0.0,,
Clc1ccccc1OCc1nnc(-c2ccccc2Br)o1,CID2091123,0.0,,,,,,,,,,,,,,,0.0,0.0
COc1cc(-c2nnc(COc3ccc(Cl)cc3C)o2)cc(OC)c1OC,CID1327919,,,,,,0.0,,,,,,,,,,,
CC(=O)Nc1ccccc1OCc1nnc(-c2ccc(Cl)cc2)o1,CID2595313,,,,,,,,,,,,,,0.0,,,
Clc1ccc(OCc2nnc(-c3ccccc3Br)o2)cc1,CID2161535,0.0,,,,,,0.0,,,,0.0,,,,,,
O=C(O)c1ccc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1,CID1473794,,,,,,,,,,,,,,,0.0,,
COc1ccc(-c2csc(-c3ccc(C(=O)O)cc3)n2)cc1,CID1483723,,,,,,,,,,,,,,0.0,,,
CC(C)C(=O)Nc1ccc(-c2csc(-c3ccccc3)n2)cc1,CID704426,,,,,,0.0,,,,,,0.0,,,,,
O=C(O)c1ccc(-c2nc(-c3ccccc3Cl)cs2)cc1,CID3806854,,,,,,,,,,,,,,,0.0,,
O=C(O)Cc1sc(-c2ccccc2)nc1-c1ccccc1,CID2763923,,,,,,0.0,,,,,,,,,,,
Cc1cccn2c(=O)c3cc(C#N)/c(=N\C(=O)c4ccc5c(c4)OCO5)n(CC(C)C)c3nc12,CID665853,0.0,0.0,,,,,,,,,,,,,,,
COCCCn1/c(=N/C(=O)c2ccc3c(c2)OCO3)c(C#N)cc2c(=O)n3cccc(C)c3nc21,CID665658,0.0,,,,,,,,,0.0,,,,,,,
CCCCn1/c(=N/C(=O)c2ccc3c(c2)OCO3)c(C#N)cc2c(=O)n3cccc(C)c3nc21,CID665448,0.0,,0.0,,,,,,,,,,,,,,
CCCn1/c(=N/C(=O)c2ccc3c(c2)OCO3)c(C#N)cc2c(=O)n3cccc(C)c3nc21,CID665666,0.0,,0.0,,,,,,,,,,,,,,
COCCn1/c(=N/C(=O)c2ccc3c(c2)OCO3)c(C#N)cc2c(=O)n3cccc(C)c3nc21,CID665669,0.0,,,,,,,,,,0.0,0.0,,,,0.0,
COC(=O)c1c(NC(=O)C2CC=CCC2C(=O)O)sc(C(N)=O)c1C,CID3237537,,0.0,,,,,0.0,,,,,0.0,,,,,
CCOC(=O)c1c(NC(=O)C2CC=CCC2C(=O)O)sc(C)c1CC,CID2932955,,,,,,,,,,,,,,,0.0,,
COC(=O)c1cc(C)sc1NC(=O)C1CC=CCC1C(=O)O,CID2931308,,,,,,,,,0.0,,0.0,,,,,,
COC(=O)c1c(NC(=O)C2CC=CCC2C(=O)O)sc(C)c1C,CID2933619,,,,,,,,,0.0,,,,,,,,
Cc1sc(NC(=O)C2CC=CCC2C(=O)O)c(C(=O)OC(C)C)c1C,CID2862774,,,,,,,,,0.0,,,,,,0.0,,
OCC#CCSc1nnc(-c2ccncc2)o1,CID661036,,0.0,,0.0,,,,,,0.0,,,,,,,
CCSc1nnc(-c2ccncc2)o1,CID930897,,,,,,,,,,0.0,,,,,0.0,,
COC(=O)C(C)Sc1nnc(-c2ccncc2)o1,CID571587,,,,,,,,,,,,,,,,0.0,
CCOC(=O)CSc1nnc(-c2ccncc2)o1,CID937078,,0.0,,0.0,,,,,,0.0,,,0.0,,,,
COC(=O)CSc1nnc(-c2ccncc2)o1,CID742135,,0.0,,,,,,0.0,,,,,,,,,
CCCC(C)C1(CC)C(=O)N=C(Nc2ccccc2OC)NC1=O,CID663283,0.0,,,,,,,,,,0.0,,,,,0.0,
CCCC(C)C1(CC)C(=O)N=C(Nc2ccc(F)cc2)NC1=O,CID657911,,,0.0,,,,,,,,,,,,,0.0,
CCC1(CC)C(=O)N=C(Nc2cccc(C(F)(F)F)c2)NC1=O,CID665309,0.0,,,0.0,,,,,0.0,,,,,,,,0.0
CCCC(C)C1(CC)C(=O)N=C(Nc2ccc(OC)cc2)NC1=O,CID2831779,,,,,,,,,,,,,,0.0,,,
CCCC(C)C1(CC)C(=O)N=C(Nc2ccccc2)NC1=O,CID3065199,,,,,,,,,,,0.0,,,,,,
CCCCCC(=O)Nc1ccc(Cc2ccncc2)cc1,CID3110124,,,,,,,,,,,,0.0,,,,,
CCCCS(=O)(=O)Nc1ccc(Cc2ccncc2)cc1,CID2227811,0.0,,,0.0,,,,0.0,,,,0.0,0.0,,,,0.0
CCCCNC(c1ccccc1)c1ccncc1,CID2834981,,,,,,,,,,,,0.0,,,0.0,,
CCS(=O)(=O)Nc1ccc(Cc2ccncc2)cc1,CID542857,,0.0,,0.0,,,,0.0,,0.0,,0.0,,,,,0.0
CC(=O)Nc1ccc(Cc2ccncc2)cc1,CID653424,,0.0,,0.0,,,,,,0.0,,0.0,,,,,
CCCn1c(SCC(=O)Nc2sc(C)c(C)c2C(=O)OCC)nc2c1c(=O)n(C)c(=O)n2C,CID652111,,0.0,,,0.0,0.0,,,,,0.0,,,,,,0.0
COC(=O)c1c(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C(C)C)sc(C)c1C,CID651576,,0.0,0.0,,0.0,,,,,,,,0.0,,,0.0,0.0
CCCn1c(SCC(=O)Nc2sc(C)c(C)c2C(=O)OC)nc2c1c(=O)n(C)c(=O)n2C,CID647419,,,,,0.0,,,,,,,,,,,0.0,0.0
CCOC(=O)c1c(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2CC)sc(C)c1C,CID650111,0.0,,,0.0,0.0,,,,,,0.0,,,,,0.0,0.0
CCOC(=O)c1c(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C(C)C)sc(C)c1C,CID650198,,0.0,,,0.0,,0.0,,,0.0,0.0,,,,,,
CCC(C)(C)NC(=O)C(c1ccco1)N(C(=O)c1csnn1)c1cccc(F)c1,CID652112,0.0,,,0.0,0.0,,,,,0.0,,,,,,,
Cc1ccc(C(C(=O)NC(C)(C)C)N(C(=O)c2csnn2)c2ccccc2F)o1,CID652857,0.0,0.0,0.0,0.0,0.0,,,0.0,,,,,,,,,
CCC(C)(C)NC(=O)C(c1ccc(C)o1)N(C(=O)c1csnn1)c1cccc(F)c1,CID3222011,,,,,,,,,,0.0,,,,0.0,,,
Cc1ccc(C(C(=O)NC(C)(C)C)N(C(=O)c2csnn2)c2cccc(F)c2)o1,CID652783,0.0,0.0,,,0.0,,,,,0.0,0.0,,,,,,
CC(C)(C)NC(=O)C(c1ccco1)N(C(=O)c1csnn1)c1ccccc1,CID645434,,0.0,0.0,,,,,,,,0.0,,,,,0.0,0.0
O=C(Cc1ccccc1)NCC1CCCO1,CID531986,,,,,,,,,0.0,,,,,,,,
O=C(Cc1ccc([N+](=O)[O-])cc1)NCC1CCCO1,CID2874977,,,,,,,,,,,,,,,0.0,,
COc1ccc(CC(=O)NCC2CCCO2)cc1OC,CID2866162,,,,,,0.0,,,,,,,,,,,
O=C(Cc1c(F)cccc1Cl)NCC1CCCO1,CID2963110,,0.0,0.0,,,,0.0,,,0.0,0.0,,,,,,0.0
COc1ccccc1CC(=O)NCC1CCCO1,CID2865692,,,0.0,0.0,,,0.0,,,0.0,,,,,,,
COC(=O)C1=C(Nc2cccc(C(F)(F)F)c2)SCC1=O,CID797098,,,,,0.0,,0.0,,,,,,,,,,
CCOC(=O)C1=C(Nc2ccccc2)SCC1=O,CID360693,,,,,0.0,0.0,,,,,0.0,,,,,,
CCOC(=O)C1=C(Nc2cccc(Cl)c2)SCC1=O,CID738765,,,0.0,0.0,,,,,,0.0,,,0.0,0.0,,,
COC(=O)C1=C(Nc2ccc(C)cc2)SCC1=O,CID841829,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C1=C(Nc2ccc(Cl)cc2)SCC1=O,CID828910,,,,0.0,,,,,0.0,0.0,,,,,,,0.0
Cc1ccccc1N(C)C(=O)c1coc(=O)c2ccccc12,CID4178579,,,,,,0.0,,,,,,,,,0.0,,
CN(C(=O)c1coc(=O)c2ccccc12)c1ccc(F)cc1,CID3245123,,,0.0,,,,,0.0,,,,,0.0,,0.0,,
CCN(C(=O)c1coc(=O)c2ccccc12)c1cc(OC)ccc1OC,CID3244617,,,,,,,,,,,,0.0,,,,,
COc1ccc(C)cc1N(C)C(=O)c1coc(=O)c2ccccc12,CID4178583,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C)c(N(C)C(=O)c2coc(=O)c3ccccc23)c1,CID4178581,,,,,,0.0,,,,,,,,,,,
COc1ccc(C2CC(c3ccco3)N3NC=NC3=N2)cc1,CID5308764,,,,,,,,0.0,,,,,,,,0.0,
NC1=NC2=NC(c3ccc(Cl)cc3)CC(c3ccco3)N2N1,CID5769182,,,,,,,0.0,,,,,,,,,,
NC1=NC2=NC(c3ccc(F)cc3)CC(c3ccco3)N2N1,CID5308029,,,,,,,0.0,,,,0.0,,,,,,
Clc1ccc(C2CC(c3ccco3)N3NC=NC3=N2)cc1Cl,CID5308981,,,,,,,0.0,,,,,,,,,0.0,
Fc1ccc(C2CC(c3ccco3)N3NC=NC3=N2)cc1,CID5308359,,,,,,,,,,,,,0.0,,,,
CC1=CC(C)(C)N2C(=O)C3(C(C#N)=C(N)Oc4cc(C)oc(=O)c43)c3cc(C)cc1c32,CID2956445,,,,,,,,,,,,0.0,,,,,
CCOC(=O)C1=C(N)Oc2cc(C)oc(=O)c2C12C(=O)N1c3c(cccc32)C(C)=CC1(C)C,CID2958099,,,,,,,0.0,0.0,,,,,,,,,0.0
COc1cc2c3c(c1)C1(C(=O)N3C(C)(C)C=C2C)C(C#N)=C(N)Oc2cc(C)oc(=O)c21,CID664667,,,,,,,,,,0.0,,,,,,,
CC1=CC(C)(C)N2C(=O)C3(C(C#N)=C(N)Oc4cc(C)oc(=O)c43)c3cccc1c32,CID2969307,0.0,,,,,,0.0,0.0,,,,,,,,,
CCOC(=O)C1=C(N)Oc2cc(C)oc(=O)c2C12C(=O)N1c3c(cc(OC)cc32)C(C)=CC1(C)C,CID2957274,0.0,,,,,,,,,,,,,,,,
COCCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)C1c1cccnc1,CID655935,,,,,0.0,,,,,,,,,,0.0,,
CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)C1c1cccnc1,CID616809,,,,,0.0,,0.0,,,,,,,,,,0.0
COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)C1c1cccnc1,CID647097,,0.0,,,0.0,0.0,,,,,,,,,,,0.0
COCCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)C1c1cccnc1,CID655012,,,,,0.0,,,,,,0.0,,,,,,
CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)C1c1cccnc1,CID648471,,,,,0.0,,,,0.0,,,,0.0,,0.0,,
CCC(C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccccc1)c1ccc(OC)cc1,CID3206872,,,,,,,,,,0.0,,,,,,,
CCOc1ccccc1N(C(=O)CNS(=O)(=O)c1ccccc1)C(CC)C(=O)NCc1ccco1,CID3206876,,,,,,,,,,0.0,,,,,,,
COc1ccccc1N(C(=O)CNS(=O)(=O)c1ccccc1)C(C(=O)NCc1ccco1)C(C)C,CID655807,,,,,0.0,,0.0,,,0.0,0.0,,,,,,0.0
CCC(C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccc(C)cc1)c1ccccc1OC,CID652230,,,0.0,,0.0,,0.0,0.0,,,,0.0,0.0,,,,0.0
CCCC(C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccccc1)c1ccccc1OC,CID652019,,,,,0.0,,,0.0,,0.0,,,0.0,,,,0.0
CC(C)CCNc1nc2c(cc1C#N)COC(C)(C)C2,CID658269,,,0.0,,,,,,,,,,,,,,
CC1(C)Cc2nc(NCCCO)c(C#N)cc2CO1,CID659804,,,,0.0,,,0.0,0.0,,,,,,,,,
CC1(C)Cc2nc(N)c(C(=O)NCCO)cc2CO1,CID657432,,0.0,,,,,,,,,,,,,,,
CC1(C)Cc2nc(Cl)c(C#N)cc2CO1,CID817267,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1cc2c(nc1N)CC(C)(CC)OC2,CID3754294,,,,,,,,,,,,,,,0.0,,
CCc1ccc(-n2c(O)cnc2Nc2nc(C)cc(C)n2)cc1,CID742647,0.0,0.0,0.0,,,,,0.0,,0.0,0.0,,0.0,,,,
Cc1cc(C)nc(Nc2ncc(O)n2-c2ccc(C)c(Cl)c2)n1,CID742643,,,0.0,,,,,,,,,,0.0,,,0.0,0.0
COc1ccc(-n2c(O)cnc2Nc2nc(C)cc(C)n2)cc1OC,CID695227,,,,,,,,,,,0.0,,,,,,
COc1ccc(OC)c(-n2c(O)cnc2Nc2nc(C)cc(C)n2)c1,CID742640,,0.0,0.0,,,,0.0,,,,0.0,,,,,0.0,
Cc1ccc(-n2c(O)cnc2Nc2nc(C)cc(C)n2)cc1,CID698373,0.0,0.0,,0.0,,,0.0,0.0,,,,,0.0,,,0.0,
O=C(NCc1ccc(F)cc1)c1cc(-c2cccs2)on1,CID3236697,,,,,,,0.0,,,,,,,,,,
O=C(NCc1ccc(Cl)cc1)c1cc(-c2cccs2)on1,CID3241596,0.0,0.0,,0.0,0.0,,,,,0.0,,,,,,,0.0
CC(NC(=O)c1cc(-c2cccs2)on1)c1ccccc1,CID3240914,0.0,0.0,,0.0,0.0,0.0,0.0,,0.0,,0.0,,,,,,
O=C(NCc1ccccc1)c1cc(-c2cccs2)on1,CID3244595,,0.0,,0.0,0.0,0.0,,0.0,,,,,,,,,
COc1ccc(CNC(=O)c2cc(-c3cccs3)on2)cc1,CID3243936,,,,0.0,0.0,0.0,,,,,,,,,,,0.0
O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)c1cccn2c(=O)c3ccccc3nc12,CID3239440,,,,,0.0,,,,,,,,,,,,
COc1ccc(N2CCN(CCNC(=O)c3cccn4c(=O)c5ccc(Cl)cc5nc34)CC2)cc1,CID3238666,,,,,0.0,,,,,,,,,,,,
O=C(NCCN1CCN(c2ccccc2)CC1)c1cccn2c(=O)c3ccccc3nc12,CID3238635,,,0.0,,,,0.0,,,,,,,,,,
O=C(NCCN1CCN(c2ccccc2)CC1)c1cccn2c(=O)c3cc(Cl)ccc3nc12,CID3243133,,,,,0.0,,0.0,,,,,,,,,,
O=C(NCCN1CCN(c2ccccc2F)CC1)c1cccn2c(=O)c3ccccc3nc12,CID3243584,,,,0.0,,,,,,,,,,,,,
Cc1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1S(=O)(=O)N1CCOCC1,CID2999342,,,0.0,,,,,,,,,,,,,0.0,
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O,CID2109026,,,,,,0.0,,,,,,,,,,,
Cc1c(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c(=O)n(-c2ccccc2)n1C,CID2329908,,0.0,,0.0,,0.0,,0.0,,,,,,,,0.0,
Cc1c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c(=O)n(-c2ccccc2)n1C,CID1022002,0.0,,0.0,,0.0,,,,0.0,,0.0,,,,,,
Cc1c(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c(=O)n(-c2ccccc2)n1C,CID2466230,,,,,,,,,,0.0,,,,,,,
CCOC(=O)C1=C(C)NC(=O)NC1/C=C/c1ccccc1,CID5285943,0.0,,,,,,,,,,,,0.0,,,,
CCOC(=O)C1=C(C)NC(=O)NC1/C(C)=C/c1ccccc1,CID5310853,,,,,,,,,,,,,0.0,,,,
C=CCOC(=O)C1=C(C)NC(=O)NC1/C=C/c1ccccc1,CID5310616,,,,,,,,0.0,,,,,,,,,
COC(=O)C1=C(C)NC(=O)NC1/C=C/c1ccccc1,CID5734620,,,,0.0,,,,,,,,,,,,,
CC1=C(C(=O)OC(C)C)C(/C=C/c2ccccc2)NC(=O)N1,CID5768017,,,,,,,,0.0,,,0.0,,,,,,
COc1cccc(S(=O)(=O)Nc2ccc3sc(C)nc3c2)c1,CID3241875,,,,,0.0,0.0,,,0.0,,,,,,,,
Cc1ccc(S(=O)(=O)N(C)c2ccc3sc(C)nc3c2)cc1,CID768655,,,,,,,,,,,,,,0.0,,,
Cc1nc2cc(NS(=O)(=O)c3c(C)c(C)cc(C)c3C)ccc2s1,CID984111,,,,,,,,,,0.0,0.0,,,,,,
Cc1ccc(C)c(S(=O)(=O)Nc2ccc3sc(C)nc3c2)c1,CID852255,,,,,,,,,0.0,0.0,,,,0.0,,,
Cc1ccc(C)c(S(=O)(=O)Nc2ccc3scnc3c2)c1,CID976409,,,,,0.0,,,,0.0,,,,,,0.0,,
CC(CC(=O)O)CC1=NS(=O)(=O)c2ccccc2N1,CID3237099,,,0.0,,,,,,,,,,0.0,,,,0.0
NC(=O)CCCC1=NS(=O)(=O)c2ccccc2N1,CID3239579,,0.0,,,,,,,,,,,,,,,
CCOC(=O)CC1=NS(=O)(=O)c2ccccc2N1,CID658835,,,,0.0,,,,,,,,,,,,,
CC1=NS(=O)(=O)c2cc(Cl)ccc2N1,CID3019,,,,0.0,,,,,,0.0,,,,,,,0.0
NS(=O)(=O)c1cc2c(cc1Cl)NC=NS2(=O)=O,CID2720,0.0,,,,,,,,,,,,,,,,
COc1cc(NC(=O)c2cccc(Cl)c2)c(OC)cc1NC(=O)CN1CCOCC1,CID650230,,,,,,,,,,,,,,,,0.0,
COc1cc(NC(=O)c2ccc(Cl)cc2)c(OC)cc1NC(=O)CN1CCOCC1,CID653109,,,0.0,,,,,,,,,,,,,0.0,
COc1cc(NC(=O)c2ccccc2Cl)c(OC)cc1NC(=O)CN1CCOCC1,CID649410,,,,,,,,,,,,,,,,0.0,
COc1cc(NC(=O)c2ccc(C)cc2)c(OC)cc1NC(=O)CN1CCOCC1,CID651079,0.0,,,,,,,,,,,,,,,,0.0
COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CN1CCOCC1,CID654839,0.0,,,,,,,,,,,,,,,,
O=C(CSc1nnc(-c2ccco2)o1)c1ccccc1,CID807933,0.0,,,,,,,,,,0.0,0.0,0.0,0.0,,,
O=C(CSc1nnc(-c2ccco2)o1)c1ccc(F)c(F)c1,CID3000059,,,,,0.0,,0.0,0.0,,,,,,,,,
COc1ccc(C(=O)CSc2nnc(-c3ccco3)o2)cc1,CID861903,,,,,,,,,,,,,,0.0,,,
O=C(CSc1nnc(-c2ccco2)o1)c1ccccc1Cl,CID1475096,,,,,,,,,,,,,,0.0,,,
COc1ccccc1C(=O)CSc1nnc(-c2ccco2)o1,CID2424786,,,,,,,,,,,,,,0.0,,,
Cc1ccc(CSc2nnc(-c3ccncc3)o2)c(C)c1,CID807932,,,,,,,,,,,,,,0.0,,,
c1ccc(CSc2nnc(-c3ccncc3)o2)cc1,CID805390,,0.0,,,0.0,,0.0,,,,,,0.0,,,,
Clc1ccc(CSc2nnc(-c3ccncc3)o2)cc1,CID662339,,1.0,,,0.0,,,,,,,,,,0.0,,0.0
Clc1ccccc1CSc1nnc(-c2ccncc2)o1,CID851256,,,,,,,,,,,0.0,,,,0.0,,
Clc1ccc(CSc2nnc(-c3ccncc3)o2)c(Cl)c1,CID662619,,0.0,0.0,,,,,,,,0.0,,,,,,0.0
Cc1cccc(C)c1NC(=O)CSc1nnc(C2CCCN2C(=O)OC(C)(C)C)o1,CID667184,,,0.0,,,,,,,,,,,,,0.0,0.0
Cc1ccc(NC(=O)CSc2nnc(C3CCCN3C(=O)OC(C)(C)C)o2)c(C)c1,CID665128,0.0,0.0,,,,,,0.0,,,,,0.0,,,0.0,0.0
Cc1cccc(NC(=O)CSc2nnc(C3CCCN3C(=O)OC(C)(C)C)o2)c1C,CID665571,0.0,,0.0,,,0.0,,0.0,,,,,,,,,0.0
CCc1ccccc1NC(=O)CSc1nnc(C2CCCN2C(=O)OC(C)(C)C)o1,CID665749,0.0,,0.0,,,,,,,,,,,,,,0.0
Cc1ccc(C)c(NC(=O)CSc2nnc(C3CCCN3C(=O)OC(C)(C)C)o2)c1,CID665782,0.0,,,,,0.0,0.0,,,,,,,,,0.0,0.0
Cc1cc(=O)n2c(-c3ccccc3C)n[nH]c2n1,CID650848,,0.0,,,,,,,,,,0.0,,0.0,,,
COCc1cc(=O)n2c(-c3ccccc3OC)n[nH]c2n1,CID652810,,0.0,,,,0.0,,,,,0.0,,,0.0,,,
CCc1c(C)nc2[nH]nc(-c3ccccc3C)n2c1=O,CID622720,,0.0,,0.0,,,,0.0,,,,0.0,0.0,0.0,,,
CCc1c(C)nc2[nH]nc(-c3ccccc3)n2c1=O,CID878973,,0.0,,0.0,,,,,,,,,0.0,0.0,0.0,,
COCc1cc(=O)n2c(-c3ccc(C)cc3)n[nH]c2n1,CID1227314,,0.0,,0.0,,,0.0,,,,,,,0.0,,,
COc1ccccc1N/C(=N\C(C)=O)Nc1nc(C)cc(C)n1,CID2280788,,0.0,0.0,0.0,,,,,,,,,,,0.0,0.0,
CCC(=O)/N=C(\Nc1cccc(OC)c1)Nc1nc(C)cc(C)n1,CID1932158,,,,,,,,,,,,,,,,0.0,
CC(=O)/N=C(/Nc1ccc(NC(C)=O)cc1)Nc1nc(C)cc(C)n1,CID658796,,0.0,,,,,0.0,,,0.0,,,,,0.0,,
COc1ccc(N/C(=N/C(=O)C(C)C)Nc2nc(C)cc(C)n2)cc1OC,CID660936,,,0.0,,,,,,,,,,,,,0.0,0.0
COc1ccc(N/C(=N/C(C)=O)Nc2nc(C)cc(C)n2)cc1OC,CID666120,,,,0.0,,,0.0,,,,,,,,,,
N=c1c(C(=O)NCc2ccco2)cc2c(=O)n3ccccc3nc2n1CCc1ccccc1,CID1284704,0.0,0.0,0.0,,,,0.0,,,,0.0,0.0,,,,,
COc1ccc(CCn2c(=N)c(C(=O)NCc3ccco3)cc3c(=O)n4ccccc4nc32)cc1,CID663340,0.0,,0.0,0.0,,0.0,,,,,,0.0,,,,,
Cc1cccn2c(=O)c3cc(C(=O)NCc4ccco4)c(=N)n(CCc4ccccc4)c3nc12,CID647145,0.0,,0.0,,,,,,,,,,0.0,,,,
COc1ccc(CCn2c(=N)c(C(=O)NCc3ccco3)cc3c(=O)n4cccc(C)c4nc32)cc1,CID664210,0.0,,,0.0,,,,,,,,0.0,,,,,
COc1ccc(CCn2c(=N)c(C(=O)NCc3ccco3)cc3c(=O)n4ccccc4nc32)cc1OC,CID662304,0.0,,,,,,,,,,,,,,,,
CCN(CC(=O)NCc1cccs1)S(=O)(=O)c1ccc(NC(C)=O)cc1,CID2557998,,,,,,,,,,,,,,0.0,,,
CC(C)(C)NC(=O)CN(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccccc1,CID3206812,,,,,,,,,,0.0,,,,,,,
CCN(CC(=O)NCc1cccs1)S(=O)(=O)c1ccc(C(C)C)cc1,CID2118296,,,,,,0.0,,,,,,,,,0.0,,
CCC(C)(C)NC(=O)CN(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccc(C)cc1,CID3206929,,,,,,,,,,,0.0,,,,,,
CCN(CC(=O)NCc1cccs1)S(=O)(=O)c1cccc(C(C)=O)c1,CID2557730,,,0.0,,0.0,,,,0.0,,0.0,,,,,,
COc1ccc(CCNC2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1OC,CID2866536,,,,,,,,,,,,,,,0.0,,
COc1ccc(CCNC2CC(=O)N(CCc3ccccc3)C2=O)cc1,CID2854580,,,,,,,,,0.0,0.0,,0.0,,,,,
COc1ccc(CCNC2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1,CID2866200,,,,,,,,,0.0,0.0,,0.0,,,0.0,,
NS(=O)(=O)c1ccc(CCNC2CC(=O)N(CCc3ccccc3)C2=O)cc1,CID2882239,,,,0.0,0.0,,,0.0,,,,,,,,,
COc1ccc(CCNC2CC(=O)N(CCc3ccccc3)C2=O)cc1OC,CID2854991,0.0,,0.0,,,0.0,,,0.0,,,,,,,,0.0
CC1=CC(=NOC(=O)c2cccc([N+](=O)[O-])c2)C=C(C)C1=O,CID885433,,,,,,,,,,,,,,,0.0,,
COc1cc(C(=O)ON=C2C(C)=CC(=O)C=C2C)cc(OC)c1OC,CID710888,,,,,,,,,,,,,,,0.0,,
CC1=CC(=O)C=C(C)C1=NOC(=O)c1cccc([N+](=O)[O-])c1,CID885308,,,,,,,,,,,,,,,0.0,,
COc1cc(C(=O)O/N=C2/C=CC(=O)C(C)=C2)cc(OC)c1OC,CID710787,,,,,,,,,,,,,,,1.0,,
COc1cc(C(=O)O/N=C2/C=CC(=O)C(C)=C2C)cc(OC)c1OC,CID747948,,,,,,,,,,,,,,,0.0,,
Cc1ccc2[nH]cc(C(=O)CN3CCN(C)CC3)c2c1,CID3646506,,,,,,0.0,,,,,,,,,,,
CCN1CCN(CC(=O)c2c(C)n(C)c3ccc(OC)cc23)CC1,CID917059,,,,,,0.0,,,,,,,,,0.0,,
CCOC(=O)N1CCN(CC(=O)c2c(C)[nH]c3ccccc23)CC1,CID939723,,0.0,,,,,,,,,,,,,,,
COc1ccc2c(C(=O)CN3CCN(CCO)CC3)c[nH]c2c1,CID663937,,0.0,,0.0,,,0.0,0.0,,,,,,,,,
CCOC(=O)N1CCN(C(C)C(=O)c2c[nH]c3ccccc23)CC1,CID665772,,,,,0.0,,,0.0,,,,,0.0,,0.0,,
Cc1ccc(-n2nnnc2SCn2nnc3ccccc3c2=O)c(C)c1,CID2429522,,,,,,,,,,,0.0,,,,0.0,,
COc1ccc(C)cc1-n1nnnc1SCn1nnc2ccccc2c1=O,CID2546259,,0.0,,,0.0,,,,,,0.0,,0.0,,,0.0,
Cc1cccc(-n2nnnc2SCn2nnc3ccccc3c2=O)c1,CID2084553,,,,,0.0,,0.0,,,,,,,,,,
O=c1c2ccccc2nnn1CSc1nnnn1-c1ccccc1,CID4061082,,,,,,,,,,0.0,,0.0,,,,,
Cc1ccc(-n2nnnc2SCn2nnc3ccccc3c2=O)cc1,CID8932998,,,,,,,,,,,0.0,,,,,,
CSc1ccc(C2N=c3ccccc3=C3C=C(C)NN32)cc1,CID5769581,,,,,,0.0,,,,,,,,,,,
CC1=CC2=c3ccccc3=NC(c3ccc(O)cc3)N2N1,CID5769577,,,,,,,,,,0.0,,,0.0,,,,
CC1=CC2=c3ccccc3=NC(c3ccccc3Cl)N2N1,CID5295094,0.0,,,,,,,,,,,,0.0,,,,
CC1=CC2=c3ccccc3=NC(c3ccc(N(C)C)cc3)N2N1,CID5295075,,,0.0,,,,,,,,,,,,,0.0,
CC1=CC2=c3ccccc3=NC(c3ccccc3)N2N1,CID5295151,,,,,,,,,,,,0.0,0.0,,,,
Cn1c(SCC(=O)NCc2ccco2)nnc1-c1ccccc1,CID844185,,,,,,,,,,,0.0,,,,,,
COc1ccc(-c2nnc(SCC(=O)NCc3ccco3)n2C)cc1,CID654335,0.0,0.0,0.0,0.0,0.0,,,0.0,0.0,,,0.0,,,,0.0,
CCC(=O)Nc1cccc(-c2nnc(SCC(=O)NCc3ccco3)n2C)c1,CID661469,,,,,0.0,,,,,,,,0.0,,,,
CC(=O)Nc1ccc(-c2nnc(SCC(=O)NCc3ccco3)n2C)cc1,CID980080,,,,,,,,,,,0.0,,,,,,
CCn1c(SCC(=O)NCc2ccco2)nnc1-c1ccc(N)cc1,CID661329,,,,0.0,0.0,,,0.0,,,,0.0,0.0,,,,
Cc1cccc(N(C(=O)CNC(=O)c2ccco2)C(C(=O)NC2CCCC2)c2cccnc2)c1,CID655816,,,,,,0.0,0.0,,,,0.0,0.0,,,,,
COc1ccc(C)cc1N(C(=O)CNC(=O)c1ccco1)C(C(=O)NC1CCCC1)c1cccnc1,CID653393,,,,,,0.0,,0.0,,,0.0,,0.0,,0.0,,
Cc1cc(C)cc(N(C(=O)CNC(=O)c2ccco2)C(C(=O)NC2CCCC2)c2cccnc2)c1,CID648617,0.0,,0.0,,,,0.0,,,,,,0.0,,,,0.0
Cc1ccc(N(C(=O)CNC(=O)c2ccco2)C(C(=O)NC2CCCC2)c2cccnc2)cc1C,CID644741,0.0,0.0,,,,0.0,,,,,0.0,,0.0,,,,
CCOc1ccccc1N(C(=O)CNC(=O)c1ccco1)C(C(=O)NC1CCCC1)c1cccnc1,CID648115,,0.0,,,,,,0.0,,,,0.0,0.0,,,,
CCC(CC)C(=O)Nc1c2c(nn1-c1ccc(OC)cc1)CS(=O)C2,CID2050900,,0.0,,,,0.0,,,,,,,0.0,,0.0,0.0,
CC(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)C2,CID756248,,,,,,,0.0,,,,,,0.0,,,,
CCC(=O)Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)C2,CID756256,,,,0.0,,,,0.0,,,,,,,,,
CCC(=O)Nc1c2c(nn1-c1ccc(OC)cc1)CS(=O)C2,CID756257,,0.0,0.0,0.0,,,,,,,,,,,,,
CCCC(=O)Nc1c2c(nn1-c1ccc(OC)cc1)CS(=O)C2,CID756279,,,,,,,,,,,,,,0.0,,,
O=C(NCc1ccccc1)C1COc2ccccc2O1,CID2788357,,,,,,,,,,0.0,0.0,,,,,,
COc1ccccc1CN(C)C(=O)C1COc2ccccc2O1,CID3000152,,,,,,,,,,0.0,0.0,,,,,0.0,
COc1ccc(CNC(=O)C2COc3ccccc3O2)cc1,CID2896655,,0.0,,,,,0.0,,,0.0,,,0.0,,,0.0,
COc1ccc(CNC(=O)C2COc3ccccc3O2)c(OC)c1,CID3237146,,,,,,,,0.0,,0.0,,,,,,0.0,
COc1ccccc1CNC(=O)C1COc2ccccc2O1,CID2897188,,,0.0,,,,0.0,,,,,,,,,0.0,0.0
Cc1ccc(C(=O)NCCCNc2ccc([N+](=O)[O-])cc2)cc1,CID577194,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(=O)NCCCNc2ccc([N+](=O)[O-])cc2Cl)cc1OC,CID2886469,,,,,,0.0,,,,,,,,,,,
O=C(NCCCNc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1F,CID2883734,,,,,,0.0,,,,,,,,,,,
O=C(NCCCNc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1F,CID3118893,,,,,,,,,,,,,,0.0,,,
O=C(NCCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl,CID2883570,,,,,,0.0,,,,,,,,,,,
Cc1ccc(OCC(=O)NC(=S)Nc2ccc(Br)c(C)n2)cc1,CID1017484,,,,,,,,,,,,0.0,,,,,
Cc1ccc(OCC(=O)NC(=S)Nc2cccc(C)n2)cc1,CID2276163,,,,,,,,,,,,,,0.0,,,
CCc1ccc(OCC(=O)NC(=S)Nc2ccc(Br)c(C)n2)cc1,CID1287250,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1OCC(=O)NC(=S)Nc1ccc(Br)c(C)n1,CID1256383,,,,,,,,,,,,,,,0.0,,
Cc1ccc(OCC(=O)NC(=S)Nc2ccc(Br)cn2)cc1C,CID1227129,,,,,,,,,,,,,,0.0,,,
CCc1cccc(C)c1N(C(=O)Cn1c(=O)[nH]c2ccccc21)C(C)COC,CID661353,,,,,0.0,,,,,,,,,,0.0,,0.0
Cc1ccccc1NC(=O)Cn1c(=O)n(C)c2ccccc21,CID664058,0.0,,,,0.0,0.0,0.0,0.0,0.0,,,,,,,0.0,
Cn1c(=O)n(CC(=O)Nc2ccccc2)c2ccccc21,CID663744,,0.0,,0.0,,,0.0,,0.0,,,0.0,,,,,
Cc1cccc(NC(=O)Cn2c(=O)n(C)c3ccccc32)c1,CID941856,0.0,0.0,,0.0,0.0,,,0.0,,0.0,,0.0,0.0,,,0.0,
Cn1c(=O)n(CC(=O)Nc2ccc(F)cc2)c2ccccc21,CID972015,,,0.0,0.0,,,,,,,,,,,,,
CC(=O)c1c(C)[nH]c(C(=O)NCCc2ccccc2)c1C,CID867003,0.0,0.0,,0.0,0.0,,,0.0,,,,0.0,,,,,
COc1ccc(CCNC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1,CID2550138,,,,,,,,,,,,0.0,,,,,
COc1ccc(CCNC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1OC,CID3240562,0.0,,0.0,0.0,,,,,,,,0.0,,,,,0.0
CC(=O)c1c(C)[nH]c(C(=O)NCCc2cccc(C)c2)c1C,CID3242414,0.0,,,,0.0,0.0,,,,,,0.0,,,,,
CCc1c(C(=O)NCCc2ccc(OC)c(OC)c2)[nH]c(C)c1C(C)=O,CID3237120,0.0,,,,,,0.0,,0.0,0.0,,,,,,,0.0
Cc1cccc(S(=O)(=O)C(C#N)c2nc3ccccc3nc2N2CC(C)OC(C)C2)c1,CID664065,,0.0,,,,,,,,,,,,,,0.0,0.0
Cc1cccc(S(=O)(=O)C(C#N)c2nc3ccccc3nc2N2CCOCC2)c1,CID663584,,,,,,0.0,,0.0,,,,,,,,0.0,0.0
Cc1ccc(S(=O)(=O)C(C#N)c2nc3ccccc3nc2N2CC(C)OC(C)C2)cc1C,CID666784,,,0.0,,,,,,,,,,,,,0.0,0.0
Cc1ccc(C)c(S(=O)(=O)C(C#N)c2nc3ccccc3nc2N2CC(C)OC(C)C2)c1,CID667268,,,,,,,0.0,0.0,,,,,,0.0,,,0.0
Cc1ccc(C)c(S(=O)(=O)C(C#N)c2nc3ccccc3nc2N2CCOCC2)c1,CID667045,,,,,,,,,,,,,,,,0.0,0.0
COc1cccc(C(=O)OCC(=O)NCCc2ccccc2)c1OC,CID2353543,,,,,,,,,,,,,,0.0,0.0,,
O=C(COC(=O)c1cccc(Br)c1)NCCc1ccc(F)cc1,CID2364878,,,,,,,,,,,,,,,0.0,,
O=C(COC(=O)c1ccc(Br)cc1)NCCc1ccccc1,CID2381819,,,,,,,,,,,,,,,0.0,,
O=C(COC(=O)c1ccccc1Br)NCCc1ccc(F)cc1,CID2121427,,,,,,,,,,,,,,,0.0,,
COc1cc(OC)c(C(=O)OCC(=O)NCCc2ccccc2)cc1OC,CID2365437,,,,,,,,,,,,,,,0.0,,
Cc1occc1-c1nnc(SCC(=O)c2ccc(Cl)cc2)n1C,CID648717,0.0,0.0,0.0,,0.0,,,,,,0.0,0.0,0.0,,0.0,,0.0
CCn1c(SCC(=O)c2ccccc2)nnc1-c1ccoc1C,CID652656,0.0,0.0,,,0.0,,,0.0,,,,,0.0,,,,0.0
CCn1c(SCC(=O)c2ccc(C)cc2)nnc1-c1ccoc1C,CID650983,0.0,0.0,,,0.0,,0.0,,,,,,0.0,,,0.0,
CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccoc1C,CID656336,0.0,,,0.0,0.0,,,,,0.0,0.0,0.0,,,,,0.0
CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1ccoc1C,CID645727,0.0,,,0.0,0.0,,,,,,,,,,,,0.0
COc1cccc(C(=O)Nc2cnn(C(C)C)c2)c1,CID1510441,,,,,,,,,,,,,,0.0,,,
CCn1nc(C)c(NC(=O)c2cc(Br)ccc2Cl)c1C,CID1245775,0.0,,,,,,,,,,,,,,,0.0,0.0
COc1cccc(C(=O)Nc2c(C)n[nH]c2C)c1,CID894645,,,,,,,,,0.0,,,0.0,,0.0,0.0,,
CCOC(=O)c1[nH]nc(N)c1NC(=O)c1ccc(Cl)cc1Cl,CID2332460,,,,,,,0.0,,,,,,,,,0.0,
Cc1nn(C)c(C)c1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1,CID894979,,0.0,,0.0,,,,,0.0,,0.0,0.0,,,,0.0,0.0
O=[N+]([O-])c1cccc(-c2noc(CCc3ccccc3)n2)c1,CID702953,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-c2noc(CCc3ccccc3)n2)cc1,CID874936,,,,,,0.0,,,,,,,,,,,
Cc1cccc(-c2noc(CCc3ccccc3)n2)c1,CID912674,0.0,,0.0,,,,,,,,,,,,,,0.0
Clc1ccc(-c2noc(CCc3ccccc3)n2)cc1,CID874863,,,,,,0.0,,,,,,,,,,,
Brc1ccc(-c2noc(CCc3ccccc3)n2)cc1,CID892613,,,,,,,,,0.0,,,0.0,,,,,
O=C(NCc1ccco1)c1cnn2c(C(F)(F)F)cc(-c3ccccc3)nc12,CID1083266,0.0,,,,0.0,,,,,,,,,,,,0.0
Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NCc4ccco4)c3n2)cc1,CID1259546,0.0,,,,,,,,,,,,,,,,
O=C(NCc1ccco1)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12,CID1259765,,,,,0.0,,,,,,0.0,0.0,,,,,
Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCc4ccco4)c3n2)cc1,CID1113907,,,,,,,,,,,,,,,,,0.0
COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCc4ccco4)c3n2)cc1,CID1111012,0.0,,,,0.0,,,,,,,,,,,,
COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccco2)c(OC)c1,CID1164705,0.0,,0.0,,,,,0.0,0.0,0.0,,,,,,,
Cc1ccccc1NC(=O)c1ccccc1NC(=O)c1ccco1,CID722970,,,,,,,,,,,,,0.0,,,,
CCOc1ccccc1NC(=O)c1cc(Cl)ccc1NC(=O)c1ccco1,CID1081839,0.0,,0.0,0.0,,,,0.0,,,,,,,,,
COc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccco2)c(OC)c1,CID645752,,,,,,,,,,,,0.0,,,,,
COc1ccccc1NC(=O)c1cc(Cl)ccc1NC(=O)c1ccco1,CID651075,,0.0,0.0,,,,,,,0.0,,,0.0,,,,
Cc1nc2ccccc2c(=O)n1NC(=O)COc1ccccc1,CID742920,,0.0,,0.0,0.0,,,0.0,0.0,,,,,0.0,0.0,,
Cc1ccc(C(C)C)c(OCC(=O)Nn2c(C)nc3ccccc3c2=O)c1,CID1329832,,,,,,,,,0.0,,,0.0,,,,,
Cc1ccc(OCC(=O)Nn2c(C)nc3ccccc3c2=O)c(C(C)C)c1,CID1415329,,,,,,,,,0.0,,0.0,0.0,,,,,
Cc1ccc(C)c(OCC(=O)Nn2c(C)nc3ccccc3c2=O)c1,CID2430673,,,,,,,,,0.0,,,0.0,,,,,
Cc1cccc(C)c1OCC(=O)Nn1c(C)nc2ccccc2c1=O,CID660182,,,,,0.0,,0.0,,0.0,,,0.0,0.0,0.0,,,
Cn1cccc1CNC(=O)Nc1ccc(Cl)c(Cl)c1,CID3242532,0.0,0.0,,,,,,,,,,,,,,,
Cn1cccc1CNC(=O)Nc1ccc(Cl)cc1,CID3241884,0.0,,,0.0,,,,,,,,,,,,0.0,0.0
Cn1cccc1CNC(=O)Nc1ccccc1,CID4564328,,,,,,,,,,,0.0,,,,0.0,,
COc1cccc(NC(=O)NCc2cccn2C)c1,CID3243788,,0.0,,,,,,,,,,,,,,,
COc1ccc(NC(=O)NCc2cccn2C)c(OC)c1,CID3245883,,0.0,0.0,0.0,,,,0.0,,0.0,,,,,,,
Clc1ccc(-c2nnn(Cc3nc4ccccc4s3)n2)cc1,CID860841,,0.0,,,0.0,0.0,,,,,0.0,,,,,,
CC(C)c1ccc(-c2nnn(Cc3nc4ccccc4s3)n2)cc1,CID647568,0.0,0.0,,,0.0,,,,,,,,,,,0.0,0.0
Fc1ccc(-c2nnn(Cc3nc4ccccc4s3)n2)cc1,CID647920,0.0,,0.0,,0.0,,,,,,,,,,,0.0,
Cc1ccc(-c2nnn(Cc3nc4ccccc4s3)n2)cc1,CID651908,0.0,0.0,,,0.0,,,,,,0.0,,,,,0.0,
CCc1ccc(-c2nnn(Cc3nc4ccccc4s3)n2)cc1,CID653060,0.0,0.0,,,0.0,,0.0,,,,,,,,,0.0,
Cc1cc(C(=O)Nc2c(C)nn(Cc3c(Cl)cccc3Cl)c2C)no1,CID3241041,0.0,,,,,,,,,,,,0.0,,,,
Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NC(=O)c1cc(C(C)C)on1,CID5308144,0.0,,0.0,,,,,,,,,,,,,,
Cc1cc(C(=O)Nc2cnn(Cc3ccc(Cl)cc3Cl)c2)no1,CID3238132,0.0,,,,,,,,,,,,0.0,,,,
Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)c1cc(CC(C)C)on1,CID5308125,1.0,,,,,,,,,,,,,,,,
Cc1cc(C(=O)Nc2c(C)nn(Cc3ccccc3Cl)c2C)no1,CID3241656,,,,,,0.0,,,,,,,0.0,,,0.0,
COc1ccc(-n2c(-c3ccco3)nc3ccccc3c2=O)cc1,CID743606,,,,,,,,,,,,,,0.0,,,
Cc1cccc(-n2c(-c3ccco3)nc3ccccc3c2=O)c1C,CID892826,,,,,,,,,,,,,,0.0,,,
O=c1c2ccccc2nc(-c2ccco2)n1-c1ccccc1,CID722895,,,,,,,,,0.0,,,,,,0.0,,
CCOC(=O)c1ccc(-n2c(-c3ccco3)nc3ccccc3c2=O)cc1,CID647073,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,,0.0,,,,,,,
Cc1ccccc1-n1c(-c2ccco2)nc2ccccc2c1=O,CID788626,,,,,,,,,0.0,,,0.0,,,0.0,,
CCOc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc(OCC)c1OCC,CID1187349,,0.0,,,0.0,,,0.0,0.0,,0.0,,0.0,,,,
CCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1OC,CID2112279,,,0.0,,0.0,,,0.0,0.0,0.0,0.0,,0.0,,0.0,,0.0
COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1,CID1093076,,,,,,,,0.0,0.0,,,,,,,0.0,0.0
COc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)c1,CID1010376,,,,,,,,,,,,,,0.0,,,
COc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc(OC)c1OC,CID645962,,0.0,,0.0,0.0,,,,0.0,,0.0,,0.0,,0.0,0.0,0.0
Cc1cc(C)n(-c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2)n1,CID645674,,0.0,,,,,,0.0,,,,,,,,,
Cc1ccc(Cn2c(-n3nc(C)cc3C)nc3c2c(=O)[nH]c(=O)n3C)cc1,CID657759,,0.0,,,,,0.0,,0.0,0.0,,,,,,,
Cc1cc(C)n(-c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cccc(Br)c2)n1,CID657735,0.0,,,,,,0.0,,0.0,,0.0,,,,,0.0,0.0
Cc1cc(C)n(-c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(F)cc2)n1,CID665441,,,,0.0,,,,,,,,,,,,,
Cc1cc(C)n(-c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(Br)c2)n1,CID657920,0.0,,,,,,0.0,,0.0,,,,,,,,0.0
CCc1nnc(NC(=O)C2CCN(c3nccc(C)n3)CC2)s1,CID645677,,0.0,0.0,0.0,0.0,,,,,,0.0,,0.0,,,0.0,0.0
Cc1ccnc(N2CCC(C(=O)Nc3nnc(C)s3)CC2)n1,CID649102,,0.0,,,0.0,,0.0,,,,0.0,,,,,,
Cc1cc(C)nc(N2CCC(C(=O)Nc3nnc(C)s3)CC2)n1,CID653906,,,0.0,,0.0,,,,,,0.0,,0.0,,0.0,,
CCc1nnc(NC(=O)C2CCN(c3nc(C)cc(C)n3)CC2)s1,CID649062,,,0.0,0.0,0.0,0.0,,,,,0.0,,0.0,,0.0,,
CC(C)(C)c1nnc(NC(=O)C2CCN(c3ncccn3)CC2)s1,CID647411,,0.0,,0.0,0.0,,,,,,0.0,,,,,,
CCn1c(SCC(=O)N2CCN(c3ccccc3F)CC2)nnc1-c1ccoc1C,CID653327,0.0,0.0,,,,,,,,,,,,,,,
Cc1occc1-c1nnc(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)n1C,CID647701,0.0,,,,,,,,,,,,,,,,
CCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1-c1ccoc1C,CID645166,0.0,0.0,0.0,,,0.0,,0.0,,,,,,,,0.0,
Cc1occc1-c1nnc(SCC(=O)N2CCN(c3ccccc3)CC2)n1C,CID647384,0.0,,,,,,,,,,0.0,,,,,0.0,
Cc1occc1-c1nnc(SCC(=O)N2CCN(c3ccccc3F)CC2)n1C,CID652132,0.0,,,,,,,,,,,,,,,,
Cc1cccc(N(CC(=O)NCc2ccc3c(c2)OCO3)C(=O)CCC(=O)Nc2ccccn2)c1C,CID653329,,,0.0,,,,0.0,,0.0,,,0.0,,,,,0.0
Cc1cc(C)cc(N(CC(=O)NCc2ccc3c(c2)OCO3)C(=O)CCC(=O)Nc2ccccn2)c1,CID655338,,,0.0,,,0.0,,0.0,0.0,0.0,0.0,0.0,,,,0.0,0.0
Cc1cccc(N(CC(=O)NCc2ccc3c(c2)OCO3)C(=O)CCC(=O)Nc2ccccn2)c1,CID645066,,,,,,,0.0,,0.0,,0.0,,,,,,0.0
Cc1ccc(C)c(N(CC(=O)NCc2ccc3c(c2)OCO3)C(=O)CCC(=O)Nc2ccccn2)c1,CID645637,,,0.0,,,,,,0.0,,0.0,0.0,0.0,,0.0,,0.0
Cc1ccccc1N(CC(=O)NCc1ccc2c(c1)OCO2)C(=O)CCC(=O)Nc1ccccn1,CID645479,,,,,,0.0,0.0,0.0,0.0,,,,,,,0.0,
Cc1cc(C)c(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)c(C)c1,CID1107621,,,,,,,,,,,0.0,,,,,0.0,0.0
COc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc(OC)c1OC,CID987772,,,,0.0,0.0,0.0,,,0.0,0.0,0.0,,0.0,,0.0,,0.0
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1,CID655804,,,,0.0,,,,,0.0,0.0,,,0.0,0.0,,,0.0
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1OC,CID648989,,,,,0.0,,,0.0,0.0,,0.0,,0.0,,,0.0,0.0
COc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)c1,CID978533,0.0,,,,,,0.0,,0.0,0.0,0.0,,0.0,,0.0,,
CC(C)(C)NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O,CID839422,0.0,,0.0,,0.0,,,,,,,,,,,,0.0
CCC(=O)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O,CID2227998,,,0.0,,0.0,,,,0.0,,,,0.0,,,,0.0
COC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O,CID772473,,,,,,,,0.0,0.0,,,,0.0,0.0,,,
CC(=O)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O,CID1262881,,,0.0,0.0,0.0,,,,0.0,0.0,,,0.0,0.0,0.0,,
CCOC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O,CID747076,,,,,,0.0,,,0.0,,,,,0.0,,0.0,
COC(=O)c1cn(NC(=O)c2cccc(N(C)C)c2)c(=O)c2ccccc12,CID3237522,,,,,0.0,,,,,,,,0.0,,,,
COC(=O)c1cn(NC(=O)c2cccc(OC)c2)c(=O)c2ccccc12,CID3424504,,,,,,,,,,,0.0,,,,,,
COC(=O)c1cn(NC(=O)c2cccc(F)c2)c(=O)c2ccccc12,CID3557588,,,,,,0.0,,,,,,,,,0.0,,
COC(=O)c1cn(NC(=O)c2cc(OC)c(OC)c(OC)c2)c(=O)c2ccccc12,CID5070243,,,,,,0.0,,,,,,,,,,,
COC(=O)c1cn(NC(=O)c2ccc(F)cc2)c(=O)c2ccccc12,CID4226781,,,,,,,,,,0.0,,,,,,,
CCOC(=O)C1CCN(c2cc(=O)n(-c3ccccc3Cl)c(=O)[nH]2)CC1,CID3245559,0.0,0.0,,,,,,,,,,,,,,0.0,
Cc1ccc(-n2c(=O)cc(N3CCC(C)CC3)[nH]c2=O)cc1,CID3240007,,,0.0,,,,,,,,,0.0,,,,0.0,
COC(=O)C1CCN(c2cc(=O)n(-c3ccc(OC)cc3)c(=O)[nH]2)CC1,CID5310573,,,,0.0,,,,0.0,,,0.0,,,,,,
COC(=O)C1CCN(c2cc(=O)n(-c3ccccc3Cl)c(=O)[nH]2)CC1,CID3237018,0.0,0.0,0.0,,,,,,,,,,,0.0,,0.0,0.0
Cc1ccc(-n2c(=O)cc(N3CC(C)CC(C)C3)[nH]c2=O)cc1,CID3236229,,,0.0,,0.0,,,0.0,,,,,,,,,
O=C(COC(=O)c1cnccn1)NCCc1ccccc1,CID2367993,,,,,,,,,0.0,,,,,,,,
COc1ccc(CCNC(=O)COC(=O)c2cnccn2)cc1,CID2367254,,,0.0,,,,0.0,,,,,,0.0,,,,
Cc1cnc(C(=O)OCC(=O)NCCc2ccccc2)cn1,CID2355564,,,,,,,,,,0.0,,,,,,,
COc1ccc(CCNC(=O)COC(=O)c2cnc(C)cn2)cc1OC,CID2356467,,0.0,0.0,,,,,,,,,,0.0,,,0.0,
COc1ccc(CCNC(=O)COC(=O)c2cnc(C)cn2)cc1,CID2336561,,,,,,,,,,,0.0,,,,,,
CCOC(=O)c1nnn(-c2nonc2OC)c1-c1ccccc1,CID589272,,,0.0,,,,,,,,,,,,,,
Nc1nonc1-n1nncc1-c1ccccc1,CID684970,,,0.0,,,,,,,,,,,,0.0,,
CCOC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1,CID684207,,,,1.0,,,0.0,,,0.0,,,,,,,
CCOC(=O)c1nnn(-c2nonc2N)c1-c1ccc(OC)cc1,CID713715,,0.0,,,,,0.0,,,,,,,,,,
CCOC(=O)c1nnn(-c2nonc2N)c1-c1ccc(OCC)cc1,CID1263575,,0.0,,,,,,,,,,0.0,,,,,
CCC(=O)Nc1ccc2nc(SCC(=O)N3CCOCC3)sc2c1,CID1027119,,,,,,,,,,,,,,,0.0,,
CC(=O)Nc1ccc2nc(SCC(=O)N3CCOCC3)sc2c1,CID1077044,,,,,,,,,,,,,,,0.0,,
CC1CN(C(=O)C(C)Sc2nc3ccccc3s2)CC(C)O1,CID2999229,,0.0,,,,0.0,,,,,,,0.0,,,,
O=C(CSc1nc2ccccc2s1)N1CCOCC1,CID660098,,,0.0,,,,0.0,,,0.0,0.0,0.0,,0.0,,,
CC(Sc1nc2ccccc2s1)C(=O)N1CCOCC1,CID2997973,,,0.0,,,,0.0,,,0.0,,,,,,0.0,
O=C(CSc1nc(=O)cc(NS(=O)(=O)c2ccccc2)[nH]1)Nc1ccc(F)cc1,CID653003,,0.0,,,0.0,0.0,0.0,,,,,,0.0,0.0,,0.0,
COc1ccc(NC(=O)CSc2nc(=O)cc(NS(=O)(=O)c3ccccc3)[nH]2)cc1,CID645001,,0.0,,,0.0,,,,0.0,,0.0,,,,,0.0,
Cc1ccc(NC(=O)CSc2nc(=O)cc(NS(=O)(=O)c3ccc(C)cc3)[nH]2)cc1,CID1733897,,,,,,,,,0.0,,0.0,,,,,,
COc1ccc(NC(=O)CSc2nc(=O)cc(NS(=O)(=O)c3ccc(C)cc3)[nH]2)cc1,CID3168071,,,,,,,,,0.0,,0.0,,,,,,
Cc1ccc(NC(=O)CSc2nc(=O)cc(NS(=O)(=O)c3ccccc3)[nH]2)cc1,CID3168073,,,,,,,,,0.0,,0.0,,,,,,
Cc1cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n2ncnc2n1,CID3237687,0.0,0.0,,,,,,,,,,,,,,,
Cc1ccc(N2CCN(c3cc(C)nc4nc(C)nn34)CC2)c(C)c1,CID5309160,,0.0,,0.0,,,,,,,,,,,,,
Cc1nc2ncnn2c(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1C,CID651196,0.0,,,,,,,,,,,,,,,,
COc1ccccc1N1CCN(c2cc(C)nc3nc(C)nn23)CC1,CID5307950,,,,,,,,0.0,,,,,,,,,
Cc1cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n2nc(C)nc2n1,CID3238322,0.0,,,,,,,,,,,,,,,,
O=C(Nc1ccccc1)c1cccnc1N1CCOCC1,CID714698,,0.0,,,,,,,,,,,,0.0,,,
O=C(Nc1ccc(C(F)(F)F)cc1)c1cccnc1N1CCOCC1,CID2964245,,,,,,,,,0.0,,,,,,,,
O=C(Nc1ccc(F)cc1)c1cccnc1N1CCOCC1,CID715275,,,,,,,0.0,0.0,,,,,,,,,0.0
COc1ccc(NC(=O)c2cccnc2N2CCOCC2)cc1,CID714032,,,,,,,,,,,,,,,0.0,,
O=C(Nc1cccc(F)c1)c1cccnc1N1CCOCC1,CID714475,,0.0,,0.0,,,,,,,,,,,,,
CCOC(=O)C1(CC)NC(c2ccco2)C2C(=O)N(C)C(=O)C21,CID3217346,,,,,,,,,,,0.0,,,,,,
CCOC(=O)C1(C)NC(c2ccco2)C2C(=O)N(CC)C(=O)C21,CID3217413,,,,,,,,,,,,,,,0.0,,
CCOC(=O)C1(CCSC)NC(c2ccco2)C2C(=O)N(C)C(=O)C21,CID656166,,,0.0,,,,,,,,,,,,,,
COC(=O)C1(CCSC)NC(c2ccco2)C2C(=O)N(C)C(=O)C21,CID646910,,,0.0,,,,,,,,,,,,,,
CCOC(=O)C1(CC)NC(c2ccco2)C2C(=O)N(CC)C(=O)C21,CID3217431,,,,,,,,,,,0.0,,,,,,
CCOC(=O)c1c2c3c(c(Cl)ccc3[nH]c1=O)C(=O)c1ccccc1-2,CID5774988,,,,,,,,,,,,,,0.0,,,
COCCCNc1c2c3c(cccc3[nH]c1=O)C(=O)c1ccccc1-2,CID1789058,,,,,,,,,0.0,,,,,,,,
CC(=O)Nc1c2c3c(cccc3n(C)c1=O)C(=O)c1ccccc1-2,CID686110,,,0.0,,,,,0.0,,,,,,,,,
Cn1c(=O)c(NCCO)c2c3c(cccc31)C(=O)c1ccccc1-2,CID650462,,,0.0,,,,0.0,,,,,,0.0,,,,
CCNc1c2c3c(cccc3n(C)c1=O)C(=O)c1ccccc1-2,CID712714,,,,,0.0,,,0.0,,,,,,,,,
O=C(c1c[nH]c(=O)n(-c2ccccc2)c1=O)N1CCc2ccccc21,CID3242025,,,,0.0,,,,0.0,,,0.0,0.0,0.0,,,,
Cc1ccc(-n2c(=O)[nH]cc(C(=O)N3CCc4ccccc43)c2=O)cc1C,CID3627251,,,,,,,,,,,0.0,0.0,,,,,
CCOc1ccc(-n2c(=O)[nH]cc(C(=O)N3CCc4ccccc43)c2=O)cc1,CID3237044,0.0,0.0,,,,0.0,,,0.0,,,,,,,,
Cc1ccc(-n2c(=O)[nH]cc(C(=O)N3CCc4ccccc43)c2=O)cc1,CID3242542,0.0,0.0,,,,,,0.0,0.0,,,,,,0.0,,
COc1ccc(-n2c(=O)[nH]cc(C(=O)N3CCc4ccccc43)c2=O)cc1,CID3239806,,,,,,,,,0.0,,,,,,,,
CC(=O)NCCN/C(C)=C1\Sc2ccccc2C1=O,CID5389924,,,,,,,,,,,,,,,,0.0,
CC(=O)NCCN/C=C1\Sc2ccccc2C1=O,CID5389442,,,,,,,,,,0.0,,,,,,,
CN(C)/C=C1/Sc2ccccc2C1=O,CID661921,,,,,0.0,,,,,,,,0.0,,,,
CCCN/C=C1\Sc2ccc(OCC)cc2C1=O,CID5310917,,,,,,0.0,,,,,,,,0.0,,,
CN/C=C1\Sc2ccccc2C1=O,CID5771464,,,0.0,,,,,,,,,,,,,,
O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(c2ccc(F)cc2)CC1,CID1080886,,,,,,0.0,,,,,,,,,,,0.0
O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(c2cccc(Cl)c2)CC1,CID1307256,0.0,,,0.0,0.0,,,,,,,0.0,,,,,0.0
O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(c2ccccc2)CC1,CID1158045,,0.0,,,,0.0,,,,,,,,,,,
COc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1,CID647493,,,,,,,,0.0,,,,,0.0,,,,0.0
O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(c2ccccc2F)CC1,CID1051382,,,,,,,,0.0,,0.0,,0.0,,,,,0.0
COc1cccc(C2C3=C(N=C4SCC(=O)N42)c2ccccc2CC3)c1OC,CID2930149,,,,,,,0.0,,,,,0.0,,,,,
COc1ccc(C2C3=C(N=C4SCC(=O)N42)c2ccccc2CC3)cc1,CID620536,,,0.0,,,0.0,,,,,,,,,,,
COc1ccc(C2C3=C(N=C4SCC(=O)N42)c2ccccc2CC3)cc1OC,CID661176,0.0,,,,,,,,0.0,,,0.0,0.0,,,,
COc1ccc(OC)c(C2C3=C(N=C4SCC(=O)N42)c2ccccc2CC3)c1,CID2926561,,,,,,,,0.0,,,,,,,,,
COc1ccccc1C1C2=C(N=C3SCC(=O)N31)c1ccccc1CC2,CID661335,,,0.0,,,0.0,,0.0,0.0,,,,,,,,
COc1cc(NC(=S)NCCCN2CCOCC2)cc(OC)c1,CID1867691,,,,,,,,,,,,,,,0.0,,
COC(=O)Cc1ccc(NC(=S)NCCCN2CCOCC2)cc1,CID2024626,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(NC(=S)NCCCN2CCOCC2)cc1,CID4194222,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1ccc(NC(=S)NCCCN2CCOCC2)cc1,CID2731182,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC(=S)NCCCN2CCOCC2)cc1,CID2257831,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(C(=O)Nc2cccc3nsnc23)cc1[N+](=O)[O-],CID711896,,,,,,,,,,,,,,,0.0,,
COc1ccc(Cl)cc1C(=O)Nc1cccc2nsnc12,CID2889981,,,,,,0.0,,,,,,,,,,,
O=C(Nc1cccc2nsnc12)c1ccc(F)cc1,CID661175,,0.0,0.0,,,,0.0,,,0.0,,,,,,0.0,
CC(C)(C)c1ccc(C(=O)Nc2cccc3nsnc23)cc1,CID2889402,,,,,,0.0,,,,,,,,,,,
Cc1ccc2nsnc2c1NC(=O)c1ccccc1[N+](=O)[O-],CID708666,,,,,,,,,,,,,,0.0,,,
CCC(=O)c1ccccc1OCCCn1cncn1,CID2199993,,,,,,,0.0,,,,,,0.0,0.0,,,
C/C=C/c1ccc(OCCCn2cncn2)c(OC)c1,CID2199763,,,,,,,,0.0,,,0.0,,,,,,
Cc1cc(Cl)c(OCCCn2cncn2)c(Br)c1,CID2199714,0.0,,,,,,,,,,,,,,,0.0,
CC(=O)Nc1ccc(OCC(O)Cn2nc(C)nc2C)cc1,CID2962066,,,,0.0,,,0.0,,,,,,,,,,
Clc1ccc(OCCCn2cncn2)cc1Cl,CID2948907,0.0,,,,,,,,,,,,,,,,
Cc1csc(N(C)C(=O)CSc2nnc(COc3ccccc3C)o2)n1,CID646856,,0.0,0.0,,0.0,0.0,0.0,,,0.0,0.0,0.0,,0.0,,,
Cc1cccc(OCc2nnc(SCC(=O)Nc3ncc(C)s3)o2)c1,CID1315581,,,,,,,,,,,,,,0.0,,,
O=C(CSc1nnc(COc2ccccc2)o1)Nc1nccs1,CID1285138,0.0,,0.0,,0.0,,,,,0.0,0.0,,,,0.0,,0.0
Cc1cnc(NC(=O)CSc2nnc(COc3c(C)cccc3C)o2)s1,CID1307924,0.0,0.0,,,0.0,,,,0.0,0.0,0.0,0.0,0.0,0.0,,0.0,0.0
Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2nccs2)o1,CID4264883,0.0,0.0,,,0.0,0.0,,,,,,,,,,0.0,
COc1ccc2nc(NC(=O)Cc3cccs3)sc2c1,CID2082407,,,,,,,,,,0.0,,,,0.0,,,
O=C(Cc1cccs1)Nc1nc2ccccc2s1,CID718180,,,,,0.0,,,,,0.0,,,0.0,0.0,,,
CCOc1ccc2nc(NC(=O)Cc3cccs3)sc2c1,CID837302,,,,,,,,,,,,,,0.0,,,
Cc1ccc2nc(NC(=O)Cc3cccs3)sc2c1,CID836334,,,,,,,,,,0.0,,,,0.0,,,
CC(C)(C)NS(=O)(=O)c1ccc2nc(NC(=O)Cc3cccs3)sc2c1,CID1630784,,,,,0.0,,,,0.0,,,,,,,,
CCc1sc(C(=O)Nc2ccsc2C(=O)OC)cc1Br,CID1246541,,,,,,,,,0.0,,,,,,,,
COC(=O)c1sccc1NC(=O)c1ccc(Cl)s1,CID1246626,,,,,,,,,0.0,,,,,0.0,,,
COC(=O)c1sccc1NC(=O)c1sccc1C,CID831961,,,,,,,,,,0.0,,,,0.0,,,
COC(=O)c1sccc1NC(=O)c1ccc(C)s1,CID1225673,,,,,,,,,,0.0,,,,,,,
COC(=O)c1sccc1NC(=O)c1ccc(Br)s1,CID1246013,,,,,,,,,0.0,,,,,,,,
Cc1cc(C(=O)Nc2sc(C)c(C)c2C#N)c(C)o1,CID1246540,0.0,0.0,0.0,,0.0,,0.0,,,0.0,,0.0,,,,,
CCOC(=O)c1c(NC(=O)c2ccoc2C)sc(C(=O)N(C)C)c1C,CID1001290,,,,,,,,,,,0.0,,,,,,
CCN(CC)C(=O)c1sc(NC(=O)c2ccoc2C)c(C(=O)OC)c1C,CID1010889,,,,,,,0.0,,,0.0,,,,,,0.0,
CCCc1cc(C(N)=O)c(NC(=O)c2ccoc2C)s1,CID1245035,,,,0.0,,,,,,,0.0,,0.0,,,,
CCOC(=O)c1c(NC(=O)c2ccoc2C)sc(C)c1C,CID737612,,,,,,,,,0.0,,,,,,,,
CCn1ncc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1C(N)=O,CID972043,,,,,,,,,0.0,,,,,,,,
CCn1cc(NC(=O)Nc2ccc(OC)c(OC)c2)c(C(N)=O)n1,CID2954124,,0.0,0.0,,,,0.0,,,,,,,,,,
CCOC(=O)c1ccc(NC(=O)Nc2c(C)nn(C)c2C)cc1,CID972049,,,,,,,,,,,0.0,,,,0.0,,
CC(=O)c1cccc(NC(=O)Nc2c(C)nn(C)c2C)c1,CID2206437,,,,0.0,,,0.0,,0.0,,,0.0,0.0,,,0.0,
CCn1cc(NC(=O)Nc2ccccc2C(=O)OC)c(C(N)=O)n1,CID971834,,0.0,,,,,,,,,,,,,,,
CC(C)c1nnc(NC(=O)CCN2C(=O)c3ccccc3C2=O)s1,CID698934,,0.0,,,,,,0.0,,,,,,0.0,,0.0,0.0
CC(C)Cc1nnc(NC(=O)CCN2C(=O)c3ccccc3C2=O)s1,CID1303003,,0.0,,,,,0.0,,,,,,0.0,,,0.0,0.0
CCCc1nnc(NC(=O)CCN2C(=O)c3ccccc3C2=O)s1,CID807012,,0.0,,0.0,,,,0.0,0.0,,0.0,,,,,0.0,0.0
CCc1nnc(NC(=O)CCN2C(=O)c3ccccc3C2=O)s1,CID655440,,0.0,,,,,0.0,,0.0,0.0,,0.0,,,,0.0,
CCC(CC)c1nnc(NC(=O)CCN2C(=O)c3ccccc3C2=O)s1,CID1579448,,,,,,,,,0.0,0.0,,,,,,,
CCCC(=O)Nc1nnc(-c2ccc(Cl)s2)o1,CID2104591,,0.0,0.0,,0.0,,,,,,,,0.0,,0.0,,
CNC(=O)CSc1nnc(-c2cccs2)o1,CID859898,,,,,,,,,,0.0,,0.0,,,0.0,,
CCNC(=O)CSc1nnc(-c2cccs2)o1,CID2592834,,,,,,,,,,,,,,0.0,0.0,,
CCSc1nnc(-c2cccs2)o1,CID646055,,0.0,,,,,,,,,,,,,,,
C=CCNC(=O)CSc1nnc(-c2cccs2)o1,CID2540332,,,,,,0.0,,,0.0,0.0,0.0,,,,0.0,,
CC(NC(=O)c1noc2c1CCCCC2)c1ccccc1,CID5307117,0.0,,0.0,0.0,,,,,0.0,,,,,,,0.0,
O=C(NCc1ccc(F)cc1)c1noc2c1CCCCC2,CID3240961,,,,0.0,,,,,,,,,,,,,
O=C(NCc1ccccc1)c1noc2c1CCCCC2,CID3242747,,,,,0.0,0.0,,0.0,,,,,,,,0.0,
COc1ccc(CNC(=O)c2noc3c2CCCCC3)cc1,CID3240008,,,,,0.0,,,,0.0,0.0,,,,,,,0.0
O=C(NCc1ccc(Cl)cc1)c1noc2c1CCCCC2,CID3243268,0.0,0.0,,,,,,,,,,,,,,,0.0
Cc1cc(C)cc(N(CC(=O)NCc2cccnc2)S(C)(=O)=O)c1,CID647377,,,,0.0,,,,,0.0,,,,,,,0.0,0.0
COc1cccc(N(CC(=O)NCc2cccnc2)S(C)(=O)=O)c1,CID815951,,,,,,,0.0,0.0,0.0,,,,0.0,,,,
Cc1ccc(N(CC(=O)NCc2cccnc2)S(C)(=O)=O)cc1C,CID817422,,0.0,,0.0,,,,0.0,0.0,0.0,,,,0.0,,0.0,0.0
COc1ccc(OC)c(N(CC(=O)NCc2cccnc2)S(C)(=O)=O)c1,CID1085940,,,,0.0,,,,0.0,0.0,,,,,,,0.0,0.0
COc1ccccc1N(CC(=O)NCc1cccnc1)S(C)(=O)=O,CID700346,,,,,,,,,,,,,,,,0.0,0.0
Cc1ccc(-c2cc(C(=O)NCCCN3CCOCC3)no2)cc1,CID2227937,0.0,0.0,,0.0,,,,,,,0.0,,0.0,,0.0,,
O=C(NCCCN1CCOCC1)c1cc(-c2ccc(Br)cc2)on1,CID3243837,0.0,,,,,,,,,,,,,,,0.0,0.0
O=C(NCCCN1CCOCC1)c1cc(-c2ccc(Cl)cc2)on1,CID3242520,0.0,0.0,0.0,,,,,,,,,0.0,,,,0.0,
O=C(NCCCN1CCOCC1)c1cc(-c2ccccc2)on1,CID2217157,,0.0,,,,,0.0,,,,,,,,0.0,,
O=C(NCCCN1CCOCC1)c1cc(-c2ccc(F)cc2)on1,CID3243233,,0.0,0.0,,,,,,,,,,,,,,
COc1cccc(-c2nn(C)c3sc(C(=O)NCc4ccco4)cc23)c1,CID3244133,0.0,0.0,,,0.0,,,0.0,,,,,,,,,0.0
Cc1ccc(CNC(=O)c2cc3c(-c4ccc(Cl)cc4)nn(C)c3s2)o1,CID5307826,,0.0,,,,,,,,,,,0.0,,,,
COc1cccc(-c2nn(C)c3sc(C(=O)NCc4ccc(C)o4)cc23)c1,CID3238005,0.0,0.0,,,0.0,,,0.0,,,,,,,,,0.0
COc1ccc(-c2nn(C)c3sc(C(=O)NCc4ccco4)cc23)cc1OC,CID3239255,0.0,,0.0,,0.0,,,,,,0.0,,,,,,
Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)NCc3ccco3)sc21,CID5308003,0.0,0.0,,,,0.0,,,,,,,,,,,
CC(=O)n1nc(-c2ccccc2)nc1NCc1ccc(F)cc1,CID970076,,0.0,,,,,0.0,0.0,,,,0.0,,,,,
COCC(=O)n1nc(-c2ccccc2)nc1NCc1ccccc1,CID978166,,,,,,,,,,,,,,0.0,0.0,,
CCC(=O)n1nc(-c2ccc(Cl)cc2)nc1NCc1ccccc1,CID4057982,,,,,,0.0,,,,,,,,,,,
COCC(=O)n1nc(-c2ccccc2)nc1NCc1ccc(F)cc1,CID2209252,,,,,,,,,,,,0.0,,,,,
CCC(=O)n1nc(-c2ccccc2)nc1NCc1ccccc1,CID970657,,,0.0,,,,0.0,0.0,,,0.0,,,,,,0.0
CCC(=O)N1CCc2cc(S(=O)(=O)NC(C(=O)NC(C)c3ccccc3)C(C)C)ccc21,CID3237162,,,,,,,0.0,0.0,0.0,,,,,,,,
CCC(=O)N1CCc2cc(S(=O)(=O)NC(C(=O)NCc3ccc(F)cc3)C(C)C)ccc21,CID3240616,,,,,,,,0.0,,0.0,,,,,,,
CCC(=O)N1CCc2cc(S(=O)(=O)NC(C(=O)NCc3ccccc3)C(C)C)ccc21,CID3241219,,,,,0.0,,,,,0.0,0.0,,0.0,,,,0.0
CC(=O)N1CCc2cc(S(=O)(=O)NC(C(=O)NCc3ccccc3)C(C)C)ccc21,CID3244173,,,,,0.0,,,,,,0.0,,,,,0.0,0.0
CCC(=O)N1CCc2cc(S(=O)(=O)NC(C(=O)NCc3ccc(C)cc3)C(C)C)ccc21,CID3236284,,,,,0.0,,,0.0,0.0,,,0.0,,,,,
COc1cc2[nH]c(=S)n(CCCN3CCOCC3)c(=O)c2cc1OC,CID1251686,,0.0,,0.0,,,,,0.0,,,,0.0,,,0.0,
COc1cc2c(=O)n(CCCN3CCOCC3)c(=S)[nH]c2c(OC)c1OC,CID2099542,,,,,,,,,0.0,,0.0,,,,0.0,,
CCOc1cc2[nH]c(=S)n(CCCN3CCOCC3)c(=O)c2cc1OCC,CID3235721,,,,,,,,0.0,0.0,,,,,,,0.0,
COC(=O)c1ccc2c(=O)n(CCCN3CCOCC3)c(=S)[nH]c2c1,CID1946956,,,,0.0,,,,0.0,0.0,,0.0,,,0.0,,0.0,
O=c1c2ccccc2[nH]c(=S)n1CCCN1CCOCC1,CID724507,,,,,,,,,,0.0,,,,,,,
COCCCn1c(=S)[nH]c2ncccc2c1=O,CID3238227,,0.0,,0.0,,,0.0,,,,,,,,,,
CCCCn1c(=S)[nH]c2ncccc2c1=O,CID3244951,,0.0,,,,,,,,,,,,,,,
CCCCCn1c(=S)[nH]c2ncccc2c1=O,CID3243369,,0.0,0.0,0.0,,,0.0,,,,,,,,,,0.0
CCOCCCn1c(=S)[nH]c2ncccc2c1=O,CID3241372,,,,0.0,,,,,,,,,,,,,
CC(C)CCn1c(=S)[nH]c2ncccc2c1=O,CID3240334,,,,0.0,,,,,,0.0,,,,,,,
O=C(Nc1nc(-c2ccccc2Cl)cs1)c1cccnc1,CID1246088,,,,,,,,,,0.0,0.0,,,,,,
O=C(Nc1nc(-c2ccccc2)cs1)c1cccnc1,CID203433,,,,,,,,,,,0.0,,,,,,
O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cccnc1,CID684716,,,,,,,,,,0.0,,0.0,,,0.0,,
CN(C(=O)c1cccnc1)c1nc(-c2ccccc2)cs1,CID645980,0.0,0.0,,,0.0,0.0,0.0,,,,,,0.0,0.0,,,
O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1cccnc1,CID1114484,,,,,,,,,,,,,,0.0,,,
COc1ccc(/C=N/n2c(N)c(S(=O)(=O)c3cccs3)c3nc4ccccc4nc32)cc1OC,CID1992382,,,,,,,,,,0.0,,,,,,,
COc1cccc(/C=N/n2c(N)c(S(=O)(=O)c3cccs3)c3nc4ccccc4nc32)c1,CID2025779,,,,,,,,,,,,0.0,,,,,
Nc1c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc2n1/N=C/c1cccc(O)c1,CID664002,,,,0.0,,0.0,,,0.0,,,,,,,0.0,
COc1cccc(/C=N/n2c(N)c(S(=O)(=O)c3cccs3)c3nc4ccccc4nc32)c1OC,CID1996350,,,,,,,,,,,,0.0,,,,,
COc1ccccc1/C=N/n1c(N)c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc21,CID2017241,,,,,,,,,,0.0,,0.0,,,,,
Cn1c(=O)[nH]c(=O)c2c1nc(NCCCO)n2CCOc1ccccc1,CID3154188,,,,,,,,,,,,,,0.0,,,
Cc1ccc(OCCn2c(Br)nc3c2c(=O)n(C)c(=O)n3C)cc1,CID991898,,,,,,,,,0.0,,0.0,,,,,,
CCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCOc1ccccc1,CID663866,,0.0,0.0,0.0,,0.0,,,,,,,,,,0.0,
CCN(CC)CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCOc1ccccc1,CID663052,,0.0,0.0,,,,,,,,,,,,,,
Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2CCOc1ccccc1,CID647450,0.0,,,,,,0.0,,0.0,,,,,0.0,,0.0,0.0
CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccccn2)cc1,CID2876218,,,,,,,,,,,,,,,0.0,,
Cc1cccc(C)c1NC(=O)C(=O)NCc1ccccn1,CID2174309,,,,,,,,,,,,0.0,,,,,
Cc1ccccc1NC(=O)C(=O)NCc1ccccn1,CID2272398,,,,,,,,,,,,,,0.0,0.0,,
O=C(NCc1ccccn1)C(=O)Nc1ccccc1,CID3136536,,,,,,,,,,,,,,0.0,,,
Cc1cccc(NC(=O)C(=O)NCc2ccccn2)c1,CID3156935,,,,,,0.0,,,,,,0.0,,,,,
Cc1cc(NC(=S)Nc2cccnc2)ccc1Br,CID719203,,,,,,,,,,,,,,0.0,,,
Fc1cc(Br)ccc1NC(=S)Nc1cccnc1,CID715553,,,,,,,,,,,,,,0.0,,,
CCN(C(=S)Nc1cccnc1)c1ccccc1,CID717846,,,,,,,,,,,,,,0.0,,,
CCC(C)c1ccccc1NC(=S)Nc1cccnc1,CID4224066,,,,,,,,,,,,0.0,,,,,
OCc1ccccc1NC(=S)Nc1cccnc1,CID718371,,,,,,,,,,0.0,,,,,,,
CN(C)S(=O)(=O)N1CCN(C(=O)c2cccs2)CC1,CID976572,,,,,,,,,,0.0,,,,,,,
CCS(=O)(=O)N1CCN(C(=O)c2cccs2)CC1,CID770531,,,,,,,0.0,,,0.0,,,,,,,
CCCS(=O)(=O)N1CCN(C(=O)c2cccs2)CC1,CID652970,,,,,,,0.0,,,0.0,,,,,,,
CCc1sc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc1Br,CID1247224,,,,,,,0.0,,0.0,,,,,,,,
CS(=O)(=O)N1CCN(C(=O)c2ccc(Br)s2)CC1,CID1245667,,,,,,,,,0.0,,,,,,,,
Cc1ccc(Cl)cc1N1CCN(C(=O)Cn2ccc3ccccc3c2=O)CC1,CID3235972,0.0,,,,,,,,,,,,0.0,0.0,,0.0,0.0
COc1cccc2c(=O)n(CC(=O)N3CCN(c4ccccc4)CC3)ccc12,CID2145345,0.0,0.0,,,,,,0.0,0.0,,0.0,,,,,,
Cc1cccc(N2CCN(C(=O)Cn3ccc4ccccc4c3=O)CC2)c1C,CID3237541,0.0,,,0.0,,,,,,,,,,,,0.0,
O=C(Cn1ccc2ccccc2c1=O)N1CCN(c2cccc(Cl)c2)CC1,CID3238228,0.0,,0.0,,,,,,,,0.0,,,,0.0,0.0,0.0
Cc1cc2ccccc2c(=O)n1CC(=O)N1CCN(c2cccc(Cl)c2)CC1,CID3239523,0.0,,0.0,,,,,,,,,0.0,,,,0.0,0.0
CCCN1C(=O)/C(=C/c2ccncc2)SC1=S,CID1929996,,,,,,,,,,,,,,,0.0,,
O=C(O)CCN1C(=O)/C(=C\c2ccncc2)SC1=S,CID1201148,,,,,,,,,,,,,,,0.0,,
CCCCC(CC)CN1C(=O)/C(=C/c2ccncc2)SC1=S,CID5732062,,,,,,0.0,,,,,,,,,,,
O=C(O)CCCCCN1C(=O)/C(=C\c2ccncc2)SC1=S,CID1560510,,,,,,,,,,,,,,,0.0,,
O=C(O)CCCCCN1C(=O)/C(=C/c2ccncc2)SC1=S,CID1560512,,,,,,,,,,,,,,0.0,,,
COC(=O)c1cc2ccsc2n1CC(=O)Nc1cc(C)cc(C)c1,CID3236451,0.0,,,,,,0.0,0.0,,,,,,,,,
COC(=O)c1cc2ccsc2n1CC(=O)N(C)c1ccccc1,CID3242170,0.0,,,0.0,,,0.0,,,,0.0,,,,,,0.0
COC(=O)c1cc2ccsc2n1CC(=O)Nc1ccc(N(C)C)cc1,CID3237921,0.0,,0.0,0.0,0.0,,0.0,0.0,,,,,,,,0.0,
CCC(C(=O)Nc1ccccc1OC)n1c(C(=O)OC)cc2ccsc21,CID3240686,0.0,,0.0,0.0,,,,,,,,,,,,,0.0
COC(=O)c1cc2ccsc2n1CC(=O)Nc1cc(Cl)ccc1OC,CID3243554,0.0,0.0,,,0.0,,,,,,,,,,,,
COC(=O)c1sc(NC(=O)c2ccoc2C)nc1C,CID897120,,,,0.0,,,,,,,,,,,,,
Cc1csc(NC(=O)c2ccoc2C)n1,CID898753,,,,,0.0,,,0.0,,,,,,,,,
Cc1occc1C(=O)Nc1nccs1,CID874518,,,,0.0,0.0,,,0.0,,,,,,,,0.0,
CCOC(=O)Cc1csc(NC(=O)c2ccoc2C)n1,CID1247675,,,0.0,,,,,,,,,,0.0,,,0.0,
Cc1csc(NC(=O)c2cc(C)oc2C)n1,CID2452527,,,,,,,,,0.0,0.0,,,,,0.0,,
COc1cccc(C2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)c1OC,CID666556,,,,,0.0,,0.0,0.0,,,,,,,,,
COc1ccc(C2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)c(OC)c1OC,CID666964,,,,,0.0,,,0.0,0.0,,,,,,,,
COc1cc(C2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)ccc1OC(C)C,CID666071,,,,,0.0,,,,0.0,,,,,,,,
CCOC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)C1c1c(F)cccc1Cl,CID651748,,,,,0.0,,,,,,,,,,,,
COc1cc(C2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)cc(OC)c1OC,CID645635,,,0.0,,0.0,,,,,,,,0.0,,,,
COc1ccc(C)cc1NC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1Cc1ccco1,CID666557,0.0,,0.0,0.0,0.0,,0.0,,,,,,0.0,,,,
COc1ccc(C)cc1NC(=O)CSc1nnc(COc2ccccc2)n1Cc1ccco1,CID666630,0.0,,,,,,,,,,0.0,,,,,0.0,
COc1ccc(NC(=O)CSc2nnc(COc3ccccc3)n2Cc2ccco2)cc1OC,CID666449,0.0,,,0.0,0.0,,,,,,,,,,,0.0,0.0
COc1ccccc1NC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1Cc1ccco1,CID666739,0.0,0.0,0.0,,0.0,,,,,,,0.0,0.0,,,,
COc1ccc(C)cc1NC(=O)CSc1nnc(COc2ccc(C)cc2)n1Cc1ccco1,CID665419,0.0,,,,,,,,,,,,,,,,0.0
O=C1NC(c2ccccc2)Nc2c1sc(=S)n2-c1ccccc1,CID2860217,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C2NC(=O)c3sc(=S)n(-c4ccccc4)c3N2)cc1,CID3121403,,,,,,,,,,,,,,,0.0,,
COc1cccc(C2NC(=O)c3sc(=S)n(-c4ccccc4)c3N2)c1,CID2861528,,,,,,,,,0.0,0.0,,,,0.0,,,
COc1ccc(OC)c(C2NC(=O)c3sc(=S)n(-c4ccccc4)c3N2)c1,CID659639,,,,,0.0,,,,,0.0,0.0,,,,,,
COc1ccc(C2NC(=O)c3sc(=S)n(-c4ccccc4)c3N2)cc1,CID2860661,,,,,,,,,0.0,0.0,,,,0.0,0.0,,
CCn1nc(NC(=O)c2ccncc2)c2cc3ccc(C)cc3nc21,CID663834,,0.0,0.0,,,,0.0,0.0,,,,,0.0,,,,
CCn1nc(NC(=O)c2ccncc2)c2cc3ccccc3nc21,CID663531,,0.0,,0.0,,,,,,,,,0.0,0.0,,,
CCn1nc(NC(=O)c2ccncc2)c2cc3cc(C)ccc3nc21,CID665280,,0.0,,0.0,,,0.0,0.0,,,,,,0.0,0.0,,
CCn1nc(NC(=O)c2ccncc2)c2cc3cccc(C)c3nc21,CID663993,,,0.0,0.0,,,0.0,0.0,,,,0.0,0.0,0.0,,,
CCCn1nc(NC(=O)c2ccncc2)c2cc3ccccc3nc21,CID665225,,0.0,0.0,0.0,,,,0.0,,,,0.0,0.0,0.0,,,
CCCn1c(SCC(=O)N2CCCc3ccccc32)nc2c1c(=O)n(C)c(=O)n2C,CID648699,,0.0,,,,,,0.0,,,,,,,,,
CC(C)n1c(SCC(=O)N2CCCc3ccccc32)nc2c1c(=O)n(C)c(=O)n2C,CID645643,,,0.0,,,,0.0,,,,,,,,,,
Cn1c(=O)c2c(nc(SCC(=O)N3CCCc4ccccc43)n2C)n(C)c1=O,CID654284,0.0,,0.0,,,,,0.0,,,,,,,,,0.0
CCCCn1c(SCC(=O)N2CCCc3ccccc32)nc2c1c(=O)n(C)c(=O)n2C,CID645899,,,,,,,,0.0,,0.0,0.0,0.0,,,,,
CCn1c(SCC(=O)N2CCCc3ccccc32)nc2c1c(=O)n(C)c(=O)n2C,CID644924,,0.0,,,,0.0,,0.0,,,0.0,,,,,,0.0
Cc1nnc(NC(=O)C2CCCN(c3ncccn3)C2)s1,CID653812,,,0.0,0.0,0.0,,,,,,,0.0,,,,,
Cc1cc(C)nc(N2CCCC(C(=O)Nc3nnc(C)s3)C2)n1,CID646796,,0.0,,0.0,0.0,,,,,,,0.0,,,,,
Cc1cc(C)nc(N2CCCC(C(=O)Nc3nnc(C(C)(C)C)s3)C2)n1,CID3224249,,,,,,,,,,,,,,,0.0,,
CCc1nnc(NC(=O)C2CCCN(c3nc(C)cc(C)n3)C2)s1,CID656187,,0.0,,,0.0,,,,,,0.0,,,0.0,0.0,,
Cc1ccnc(N2CCCC(C(=O)Nc3nnc(C)s3)C2)n1,CID651136,,,,0.0,0.0,,,,,,0.0,,,,,,
COc1ccccc1NC(=O)CCSc1nnc(-c2ccco2)o1,CID975318,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC(=O)CCSc2nnc(-c3ccco3)o2)cc1,CID646288,0.0,0.0,,0.0,0.0,,0.0,,,0.0,0.0,,0.0,0.0,,0.0,
O=C(CCSc1nnc(-c2ccco2)o1)Nc1ccccc1,CID649630,0.0,,,,0.0,,0.0,0.0,0.0,,,,,,,,
O=C(CCSc1nnc(-c2ccco2)o1)Nc1ccc(F)cc1,CID1503944,,,,,,,,,,,,,,0.0,,,
O=C(CCSc1nnc(-c2ccco2)o1)Nc1ccc(Cl)cc1,CID655667,0.0,,,0.0,0.0,,,,,0.0,0.0,,,,0.0,,0.0
Cc1cc(C(=O)CSc2nc3ccccc3n2C)c(C)n1C,CID4877756,,,,,,0.0,,,,,,,,,,,
C=CCn1c(C)cc(C(=O)CSc2nc3ccccc3[nH]2)c1C,CID2114718,,,,,,0.0,,,,,0.0,0.0,,,0.0,,
Cc1cc(C(=O)CSc2nc3ccccc3[nH]2)c(C)n1C,CID2079893,,0.0,,0.0,,,,,,,,0.0,,,,,
Cc1cc(C(=O)CSc2nc3ccc(Cl)cc3[nH]2)c(C)n1C,CID2078200,0.0,0.0,,0.0,0.0,,,,,0.0,,0.0,,,,,0.0
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nc2ccccc2n1CCC#N,CID5030363,,,,,,,,,,,,,,,0.0,,
COc1ccc2[nH]c(=O)c(CN(Cc3ccco3)Cc3nnnn3Cc3ccccc3)cc2c1,CID654767,0.0,,0.0,0.0,,,,,,0.0,,0.0,,,,,0.0
CCOc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(CC)c3nnnn3Cc3ccccc3)cc2c1,CID646133,,,,,,,,,,,,,0.0,,,,
CCC(c1nnnn1Cc1ccccc1)N(Cc1ccco1)Cc1cc2cc(OC)ccc2[nH]c1=O,CID652425,,,0.0,,,,,,,0.0,,0.0,,,,,
CCOc1ccc2[nH]c(=O)c(CN(Cc3ccco3)Cc3nnnn3Cc3ccccc3)cc2c1,CID652822,,,,,,,0.0,,,0.0,,,,,,,0.0
COc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(c3nnnn3Cc3ccccc3)C(C)C)cc2c1,CID3203085,,,,,,,,,,0.0,,,,0.0,,,
COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc2c(c1)OCO2,CID1095806,,,,,,,0.0,,,,,,,,,0.0,
COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)Nc2ccc3c(c2)OCO3)c1,CID1259914,,,,,,,,,,,,,,,,0.0,
O=C(CNS(=O)(=O)c1ccccc1)Nc1ccc2c(c1)OCO2,CID892211,,,,,,,,,,,,,,0.0,,,
COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc3c(c2)OCO3)cc1OC,CID1085418,,,,,,,,0.0,,,,,,,,0.0,
COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc3c(c2)OCO3)cc1,CID1082964,,,,,,,,,,,0.0,,,,,,
COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc2c(c1)OCCO2,CID1095807,,,,,,,,,,,,,,,,0.0,
COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)Nc2ccc3c(c2)OCCO3)c1,CID2219300,,,,,,,,,,,,,,0.0,,0.0,
CC(C)(C)NC(=O)CN(C(=O)CNS(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2,CID3206879,,,,,,,,,0.0,0.0,0.0,,,,0.0,,
CCC(C)(C)NC(=O)CN(C(=O)CNS(=O)(=O)c1ccc(C)cc1)c1ccc2c(c1)OCCO2,CID645581,,,,,0.0,,,,0.0,0.0,0.0,,0.0,,,,
COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc3c(c2)OCCO3)cc1OC,CID1085423,,,,,,,,0.0,,,,,,,,,
CCN(CC)CCNC(=O)Cn1nc(Cc2ccccc2)c2ccccc2c1=O,CID2288386,,,,,,,,0.0,0.0,0.0,,,,,,,0.0
CCOC(=O)Cn1nc(Cc2ccccc2)c2ccccc2c1=O,CID904181,,,,,,,,,0.0,,,,,0.0,0.0,,
O=C(O)Cn1nc(Cc2ccccc2)c2ccccc2c1=O,CID646907,,,0.0,,,,,0.0,,,,,0.0,0.0,0.0,,
COc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1OC,CID749966,,,,,0.0,0.0,,,,0.0,,,0.0,,,0.0,
O=c1[nH]nc(Cc2ccccc2)c2ccccc12,CID616651,,,,,,,,,,0.0,,,,,,,
Cc1[nH]n(CCC#N)c2nc(C(F)(F)F)nc(=O)c1-2,CID2384307,,,,,,,,,0.0,,,,,,,,
COC(=O)CSc1nc2[nH][nH]cc-2c(=O)n1,CID7151648,,,,,,,,,,,,,,0.0,,,
CC(C)Sc1nc2[nH][nH]cc-2c(=O)n1,CID7151477,,,,,,,,,,,,,,,0.0,,
CCSc1nc2[nH][nH]cc-2c(=O)n1,CID7151475,,,,,,,,,,,,,,,0.0,,
CC(C)NC(=O)CSc1nc2[nH][nH]cc-2c(=O)n1,CID7151671,,,,,,,,,,,,,,0.0,,,
COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1,CID2292580,,0.0,0.0,,,,0.0,0.0,0.0,,,,,,,0.0,
CCOc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1,CID649802,0.0,,,,,,,0.0,,,,,,,,,
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3)cc2)n1,CID1116398,,,,,,,,,0.0,,,,,,,,
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3)cc2)n1,CID1147584,,,,,,,,,,,,,,,0.0,,
CCOc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1,CID1192523,,0.0,0.0,,,,,,0.0,,,,,,,0.0,
Cc1ccc(OCC(=O)N/N=C/c2ccco2)cc1,CID774600,,,,,,,,,,0.0,,,,,,,
Cc1cc(C)c(OCC(=O)N/N=C/c2ccco2)c(C)c1,CID832440,,,,,,,,,,,0.0,,,,,,
Cc1ccccc1OCC(=O)N/N=C/c1ccco1,CID766458,,,,,,,,,,0.0,,,,,0.0,,
O=C(COc1ccccc1)N/N=C/c1ccc([N+](=O)[O-])o1,CID728137,,,,,,,,,,,,,,,0.0,,
O=C(COc1cccc([N+](=O)[O-])c1)N/N=C/c1ccco1,CID683726,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccc2c(c1)OCO2)c1nn(-c2ccccc2)c(=O)c2ccccc12,CID2582454,,0.0,0.0,,0.0,,,0.0,,0.0,0.0,0.0,,,,,
COc1cccc(-n2nc(C(=O)Nc3ccc4c(c3)OCO4)c3ccccc3c2=O)c1,CID3245640,,,,,0.0,,,0.0,,,,,0.0,,,,
COc1ccc(-n2nc(C(=O)Nc3ccc4c(c3)OCO4)c3ccccc3c2=O)c(OC)c1,CID3241513,,,,,,,,,0.0,,,,,,,,
COc1ccccc1-n1nc(C(=O)Nc2ccc3c(c2)OCO3)c2ccccc2c1=O,CID3238801,,,,,0.0,,,,0.0,0.0,,,0.0,,,,
COc1ccc(-n2nc(C(=O)Nc3ccc4c(c3)OCO4)c3ccccc3c2=O)cc1,CID3235942,,,0.0,,0.0,,0.0,,0.0,0.0,,,,,,,
CC(=O)Nc1ccc(NC(=O)c2c(C)nc3ccccn23)cc1,CID655168,,,,0.0,,0.0,0.0,,,,,0.0,0.0,,,0.0,
CCC(=O)Nc1ccc(NC(=O)c2c(C)nc3ccccn23)cc1,CID649714,,0.0,,0.0,,0.0,0.0,,,,,0.0,,,0.0,0.0,
COc1ccc(NC(=O)c2c(Cl)nc3ccccn23)cc1,CID2349370,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccc(F)cc1)c1c(Cl)nc2ccccn12,CID2348701,,,,,,,,,,,,,,,0.0,,
Cc1cccc(NC(=O)c2c(C)nc3ccccn23)c1,CID1172189,,,,,,,,,,,,0.0,,,0.0,,
O=C1CCCc2c1cc(C(=O)NCc1ccco1)c(=O)n2-c1ccccc1,CID650446,,,,0.0,,,,0.0,0.0,,,,,,,,
Cc1ccc(-n2c3c(cc(C(=O)NCc4ccco4)c2=O)C(=O)CC(C)(C)C3)cc1,CID1294303,,,0.0,,0.0,0.0,,,0.0,0.0,,,,,,,
CC1(C)CC(=O)c2cc(C(=O)NCc3ccco3)c(=O)n(-c3ccc(Cl)cc3)c2C1,CID1288225,,,,,,,,,,,,,,,,0.0,
CC1(C)CC(=O)c2cc(C(=O)NCc3ccco3)c(=O)n(-c3ccccc3)c2C1,CID1284508,0.0,0.0,,,,,,,0.0,,,,,,,,
O=C1CCCc2c1cc(C(=O)NCc1ccco1)c(=O)n2-c1ccc(Cl)cc1,CID651071,0.0,0.0,,,,,,,,,,,0.0,,0.0,0.0,
COc1cccc(NC(=O)CSc2nnc(Cc3cccs3)n2-c2ccc(C)cc2)c1,CID1835932,,,,,,,,,,0.0,,,,,,,
NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(Cc3cccs3)n2-c2ccccc2)cc1,CID2218975,,,,,0.0,,,,,0.0,,,,,,,
Cc1ccc(-n2c(Cc3cccs3)nnc2SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,CID666292,,,,,0.0,,,,,,,,,,,,
COc1ccc(NC(=O)CSc2nnc(Cc3cccs3)n2-c2ccc(C)cc2)cc1,CID1864301,,,,,,,,,,,0.0,,,0.0,,,
Cc1ccc(-n2c(Cc3cccs3)nnc2SCC(=O)Nc2ccc(F)c(F)c2)cc1,CID1859115,,,,,,,,,,,0.0,,,,,,
Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(C)n2)cc1,CID848420,,,0.0,0.0,,,,,,,,,,,,0.0,
Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccccc2)n1,CID2219867,,0.0,,0.0,,,0.0,0.0,0.0,0.0,,0.0,0.0,,,0.0,
Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)n1,CID1301009,,,0.0,,0.0,,,,,0.0,,,,,,,0.0
Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)n1,CID2233591,,,,,,,,,0.0,,,,,,,,
CN(CC(=O)Nc1ccccn1)S(=O)(=O)c1ccc(Cl)cc1,CID851376,,,,,,,,,,,,,,0.0,,,
O=C(CSc1nnnn1-c1ccccc1Cl)Nc1ccc2c(c1)OCCO2,CID1265630,0.0,,0.0,0.0,0.0,,,,0.0,0.0,0.0,,0.0,,,,0.0
COc1cccc(-n2nnnc2SCC(=O)Nc2ccc3c(c2)OCCO3)c1,CID1075028,,,,,,0.0,,,,,,,,,,,
COc1ccc(-n2nnnc2SCC(=O)Nc2ccc3c(c2)OCCO3)cc1OC,CID645218,,0.0,,,,,,,,,,,,,,0.0,
COc1ccc(-n2nnnc2SCC(=O)Nc2ccc3c(c2)OCCO3)c(OC)c1,CID647361,,,,,,,,,,,0.0,,,,,0.0,
COc1ccc(OC)c(-n2nnnc2SCC(=O)Nc2ccc3c(c2)OCCO3)c1,CID647087,,,0.0,,,,,,,,,,,,,0.0,0.0
Cc1cc(Cl)c(OCCCSc2nc(=O)cc(C)[nH]2)c(Br)c1,CID2216015,,,,,,,,,,,0.0,,,,0.0,,
COc1cccc(OC)c1OCCCSc1nc(=O)cc(C)[nH]1,CID2215855,,,0.0,0.0,0.0,,0.0,,,,0.0,,0.0,,,,
Cc1cc(=O)nc(SCCCOc2ccccc2Cl)[nH]1,CID2215859,,,,,,,,,,0.0,0.0,,,,,,
CCc1cc(OCCCSc2nc(=O)cc(C)[nH]2)ccc1Cl,CID2215894,,,,,,,,,,0.0,,,,0.0,,,
Cc1cc(=O)nc(SCCCOc2ccc(F)cc2)[nH]1,CID2216384,,,,,,,,,,,,0.0,,,,,
COc1ccc(-n2ncc3c(NCc4ccco4)ncnc32)cc1,CID661026,0.0,0.0,0.0,,,,,0.0,,,,,,,,,
Cc1ccc(-n2ncc3c(NCc4ccco4)ncnc32)c(C)c1,CID866422,0.0,0.0,,,,,,,,,,,,,,0.0,
c1ccc(-n2ncc3c(NCc4ccco4)ncnc32)cc1,CID220776,,0.0,,0.0,,,,,,,,0.0,,,,0.0,
Clc1ccc(-n2ncc3c(NCc4ccco4)ncnc32)cc1,CID219770,0.0,,,0.0,,,,,,,,,,,,,0.0
Cc1cccc(-n2ncc3c(NCc4ccco4)ncnc32)c1,CID661241,0.0,,0.0,,,,,,,,,,,,,,
CCOC(=O)COc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1,CID1314338,,,,0.0,,,,,,0.0,,,,,,0.0,
COc1ccc(OC)c(S(=O)(=O)NCCC2=CCCCC2)c1,CID768895,,,0.0,0.0,0.0,,,0.0,,,,,,,,,
COC(=O)COc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1Cl,CID2209095,,,,,,,,,,0.0,0.0,,,,,,
COC(=O)COc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1,CID2194333,,,,0.0,,,,0.0,0.0,,,,,,,0.0,
COC(=O)COc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1C,CID2211650,,,,,,,,0.0,,,,,,,0.0,0.0,
Cc1c(C(N)=O)c(N)c(C(=O)c2ccccc2)n1-c1ccccc1,CID754868,,,,,,,0.0,,0.0,,0.0,,,,,0.0,
Cc1c(C#N)c(/N=C/N(C)C)c(C(=O)c2ccccc2)n1-c1ccc(Br)cc1,CID2838686,,,,,,,,,0.0,,0.0,,,,,,
Cc1c(C#N)c(/N=C/N(C)C)c(C(=O)c2ccccc2)n1-c1ccccc1,CID2836474,,0.0,0.0,,,,,0.0,,,,0.0,,,,,0.0
Cc1c(C#N)c(/N=C/N(C)C)c(C(=O)c2ccc(Br)cc2)n1-c1ccccc1,CID2836475,,,,,,,,,0.0,,,,,,,,
CC(=O)N(C(C)=O)c1c(C#N)c(C)n(-c2ccccc2)c1C(=O)c1ccccc1,CID657783,0.0,,,0.0,0.0,,,0.0,,0.0,,,0.0,,,,
COc1cc(C(=O)NC2=CC(=O)/C(=C3/Nc4cc(C)ccc4O3)C=C2)cc(OC)c1OC,CID5771333,,,,,,,,,,,,,0.0,,,,
COc1cc(OC)cc(C(=O)NC2=CC(=O)/C(=C3/Nc4ccccc4O3)C=C2)c1,CID5771419,,,,,,0.0,,0.0,,,,,,0.0,,,
Cc1ccc2c(c1)N/C(=C1/C=CC(NC(=O)c3ccc(C(C)(C)C)cc3)=CC1=O)O2,CID5346508,,,,,,0.0,,,,,,,,,,,
O=C1C=C(NC(=O)c2ccc(Cl)cc2)C=C/C1=C1/Nc2ccccc2O1,CID5342481,,,,,,0.0,,,,,,,,,,,
COc1cccc(C(=O)NC2=CC(=O)/C(=C3/Nc4ccccc4O3)C=C2)c1,CID5817542,,,,,,,,0.0,,,,,,,,,
CCOC(=O)N1CCN(C2CC(=O)N(c3ccc(F)cc3)C2=O)CC1,CID2858122,,,,,,,,,,,,,,,,0.0,
Cc1ccc(N2C(=O)CC(N3CCN(C)CC3)C2=O)cc1,CID2890381,,,,,,,,,,,,0.0,,,,,
O=CN1CCN(C2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1,CID648829,,,,,,,,,0.0,,,,,,,,0.0
CCOC(=O)N1CCN(C2CC(=O)N(c3ccc(C)cc3)C2=O)CC1,CID2979873,,,,0.0,,,0.0,0.0,,,,,,,,0.0,
CCOC(=O)N1CCN(C2CC(=O)N(c3ccccc3)C2=O)CC1,CID3591781,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1sc(NC(=O)CSc2nc(C)cc(C)n2)c(C#N)c1C,CID2004038,,,,,,0.0,,,,0.0,0.0,,,,,,
CCOC(=O)c1sc(NC(=O)CSc2ncccn2)c(C#N)c1C,CID2044132,0.0,0.0,,,0.0,,0.0,,,0.0,,,0.0,,,0.0,
CCOC(=O)c1sc(NC(=O)CSc2nccc(C)n2)c(C#N)c1C,CID2198264,,,,,,,,,,0.0,0.0,,,,,,
CCOC(=O)c1cnc(SCC(=O)Nc2sc(C)c(C)c2C#N)nc1N,CID655387,,0.0,0.0,,,0.0,0.0,,0.0,0.0,,,,,,0.0,
CCOC(=O)c1sc(NC(=O)CSc2nc(C)cc(C(F)(F)F)n2)c(C#N)c1C,CID2224508,,,,,,,,,0.0,0.0,,,,,,,
O=C(Nc1nnc(SCc2ccccc2)s1)c1ccco1,CID2370927,,,,,,0.0,,,0.0,,0.0,,,,,,
Cc1cccc(CSc2nnc(NC(=O)c3ccco3)s2)c1,CID1242827,,,,,,0.0,,,0.0,,0.0,,,,0.0,,
O=C(Nc1nnc(SCc2ccccc2F)s1)c1ccco1,CID659562,0.0,0.0,0.0,,0.0,,0.0,,,0.0,0.0,,,,,,
O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1ccco1,CID2376685,0.0,,0.0,0.0,0.0,,0.0,,0.0,,,,0.0,0.0,0.0,0.0,
O=C(Nc1nnc(SCc2ccc(Cl)cc2)s1)c1ccco1,CID2090740,,,,0.0,,,,,0.0,,0.0,,,,,,
CCc1cccc2c(C=C(C#N)C#N)cn(CC(=O)N3CCCCC3)c12,CID1082582,,,,,,0.0,,,,,,0.0,,,,,
COC(=O)c1cn(CC(=O)N2C(C)CCCC2C)c2ccccc12,CID3155647,,,,,,,,,0.0,0.0,,,,,,,
CC1CCN(C(=O)Cn2cc(C#N)c3ccccc32)CC1,CID951762,,,,,,,,,,,,,,,0.0,,
COC(=O)c1cn(CC(=O)N2CCCCC2C)c2ccccc12,CID2949967,,,,,,,,,,0.0,,,,,,,
CCOC(=O)C1CCN(C(=O)Cn2cc(C#N)c3ccccc32)CC1,CID951980,,,,,0.0,,,,0.0,,,0.0,0.0,0.0,,,
CCC(C)NC(=O)c1c(N)n(/N=C/c2ccccn2)c2nc3ccccc3nc12,CID663098,,,,0.0,,,,,,,,,,,,,
CC(C)OCCCNC(=O)c1c(N)n(/N=C/c2ccccn2)c2nc3ccccc3nc12,CID662179,,,,,,,,,,0.0,,,,,,,
COCCCNC(=O)c1c(N)n(/N=C/c2ccccn2)c2nc3ccccc3nc12,CID662033,,,0.0,,,,,,,,,,,,,,
CC(C)CNC(=O)c1c(N)n(/N=C/c2ccccn2)c2nc3ccccc3nc12,CID661890,,,,,,,0.0,,,,,,,,,,
CCCCNC(=O)c1c(N)n(/N=C/c2ccccn2)c2nc3ccccc3nc12,CID661965,,,,,,,,,,,,0.0,0.0,,,,
COCc1cc(=O)nc(/N=C(\N)Nc2ccc(C)cc2)[nH]1,CID1834145,,0.0,,,,,,,,,,,,,,0.0,
CCCc1cc(=O)nc(/N=C(\N)Nc2ccccc2)[nH]1,CID1834182,,0.0,,,,,,0.0,,,,0.0,,,,0.0,
COC(=O)Cc1cc(=O)nc(/N=C(\N)Nc2ccc(C)cc2C)[nH]1,CID1833770,,,0.0,,,,,,,,,,,,,,
COC(=O)Cc1cc(=O)nc(/N=C(\N)Nc2ccccc2C)[nH]1,CID3154997,,,,,,,,,,0.0,,,,,,,
Cc1cccc(N/C(N)=N/c2nc(=O)cc(C(F)(F)F)[nH]2)c1C,CID9586302,,,,,,,,,,,,,,0.0,,,
CCCOc1cc(N(CC)CC)ccc1/C=C(/C#N)c1nc2ccc(C)cc2[nH]1,CID5722655,,,,,,0.0,,,,,,,,,,,
COc1cc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)c([N+](=O)[O-])cc1OC,CID5738872,,,,,,,,,,,,,,0.0,,,
O=[N+]([O-])c1ccc2nc(/C=C/c3ccc(Cl)cc3)[nH]c2c1,CID5767878,,,,,,0.0,,,,,,,,,,,
CCOc1cc(N(CC)CC)ccc1/C=C(/C#N)c1nc2ccccc2[nH]1,CID5763546,,,,,,0.0,,,,,,,,,,,
CCCn1c(/C=C/c2ccccc2)nc2ccccc21,CID5345855,,,,,,0.0,,,,,,,,,,,
O=Cc1cn(CC(=O)N2CCCc3ccccc32)c2ccccc12,CID712520,,,,,,,,,,,,,,0.0,,,
N#Cc1cn(CC(=O)N2CCCc3ccccc32)c2ccccc12,CID746007,,,,,,,,,,0.0,0.0,0.0,,,,,
N#Cc1ccc2ccn(CC(=O)N3CCCc4ccccc43)c2c1,CID974003,,0.0,,,,,0.0,0.0,,,,0.0,0.0,,,0.0,
Cc1c(C#N)c2ccccc2n1CC(=O)N1CCCc2ccccc21,CID668669,,,,,,,,,,,0.0,,,,,,
CC(C)C(=O)c1cn(CC(=O)N2CCCc3ccccc32)c2ccccc12,CID1260927,,,,,,,,,0.0,,,,,,0.0,,
O=[N+]([O-])c1ccc2nc(CN3CCCCC3)[nH]c2c1,CID1736100,,,,,,,,,,,,,,0.0,,,
Cn1c(CN2CCCCC2)nc2cc([N+](=O)[O-])ccc21,CID1263593,,,,,,,,,,,,,,0.0,0.0,,
CCOC(=O)C1CCN(Cc2nc3ccc(Cl)cc3n2CCO)CC1,CID2998766,0.0,0.0,,0.0,,,0.0,0.0,,,,,,,,,0.0
CCCC(=O)Nc1ccc2c(c1)nc(CN1CCCCC1)n2C,CID667275,,,,,,,0.0,,,0.0,,0.0,,,,,
c1ccc2[nH]c(CN3CCCCC3)nc2c1,CID834609,,,,,,,,,,0.0,0.0,0.0,,,,,
C=CCNCc1cccn1-c1sc2c(c1C#N)CCCC2,CID2840102,,,,,,,,,,,0.0,,,,,,
CC(C)(C)NCc1cccn1-c1sc2c(c1C#N)CCCC2,CID694649,0.0,,0.0,,,0.0,,,,,,,,,,,
N#Cc1c(-n2cccc2/C=N/O)sc2c1CCCC2,CID649070,,0.0,,0.0,,0.0,,0.0,,0.0,,,0.0,,0.0,0.0,
CCOC(=O)c1c(-n2c(C)cc(C=O)c2C)sc2c1CCCC2,CID2879073,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C)n1-c1sc2c(c1C#N)CCC(C)C2,CID3322577,,,,,,0.0,,,,,,0.0,,,,,
O=C1c2oc3ccccc3c(=O)c2C(c2cccc(Br)c2)N1Cc1ccco1,CID663702,0.0,,,,,,,,0.0,,0.0,0.0,,,0.0,,0.0
COc1cc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccco2)cc(OC)c1OC,CID663962,,,,,,,,,,0.0,,,0.0,,,0.0,
CCOc1cc(C2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2Cc2ccco2)ccc1O,CID667325,,,,,,,,,,,,,,,,0.0,0.0
Cc1cc2oc3c(c(=O)c2cc1C)C(c1cccc(Br)c1)N(Cc1ccco1)C3=O,CID664487,0.0,,,,,,0.0,,,,0.0,,,,,,
Cc1ccc2oc3c(c(=O)c2c1)C(c1cccc(Br)c1)N(Cc1ccco1)C3=O,CID663628,0.0,,,,,,0.0,,,,0.0,,,,,,0.0
Cc1nnc2c3cnn(-c4ccc(Cl)cc4)c3ncn12,CID663708,,,0.0,,,,0.0,,,,,,,,,,
Cc1ccc(-n2ncc3c2ncn2c(C)nnc32)cc1C,CID663917,,0.0,,0.0,,0.0,,0.0,0.0,,,,,,,0.0,
CCc1nnc2c3cnn(-c4ccccc4)c3ncn12,CID663772,,0.0,0.0,,,,0.0,,,,,0.0,,,,,
CCc1nnc2c3cnn(-c4ccc(C)c(C)c4)c3ncn12,CID664013,,0.0,,,,,,,,,,,0.0,,,,
c1ccc(-n2ncc3c2ncn2cnnc32)cc1,CID943085,0.0,0.0,0.0,,,,,,,,,0.0,,,,,
Cc1cccc(N2CC(C)Cn3c2nc2c3c(=O)n(CC(=O)OCc3ccccc3)c(=O)n2C)c1,CID664255,,,,,,,,,,,0.0,,0.0,,,,0.0
Cc1cc(C)cc(N2CCCn3c2nc2c3c(=O)n(CC(=O)OCc3ccccc3)c(=O)n2C)c1,CID663651,0.0,,,,,,,,,,,0.0,,,,,
Cc1ccc(N2CCCn3c2nc2c3c(=O)n(CC(=O)OCc3ccccc3)c(=O)n2C)cc1C,CID664641,0.0,,,,,,,,,,,,,,,,
Cc1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(CC(=O)OCc3ccccc3)c(=O)n2C)cc1C,CID663562,0.0,,,,,,,,,,0.0,,,,,,
Cc1cccc(N2CCCn3c2nc2c3c(=O)n(CC(=O)OCc3ccccc3)c(=O)n2C)c1,CID663794,0.0,,,0.0,,,,,,,,,,,,,
Cc1cc(C)nc(SCc2nnc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)o2)n1,CID647497,,,,,0.0,,,,,,,,,,,,
Cc1cc(C)nc(SCc2nnc(SCC(=O)Nc3c(C)cccc3C)o2)n1,CID3167545,,,,,,,,,0.0,,,0.0,,,,,
Cc1cccc(NC(=O)CSc2nnc(CSc3nc(C)cc(C)n3)o2)c1,CID650453,0.0,0.0,,,0.0,,0.0,,0.0,,,,,,,,
Cc1cc(C)nc(SCc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)o2)n1,CID651971,0.0,0.0,,,0.0,0.0,,,,,,0.0,,,,0.0,0.0
Cc1cc(C)nc(SCc2nnc(SCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)o2)n1,CID644500,,,,,0.0,,,,,,,,,,,,
CCCCNC(=O)CNC(=S)N(Cc1cc(OC)c(OC)c(OC)c1)C1CCCC1,CID12004999,,,,,,,,,,,,,,,0.0,,
COc1ccc(CNC2CCCC2)c(OC)c1OC,CID775284,,,,,,,,,,,0.0,,,,,,
COc1cc(CNC2CCC(C)C2)cc(OC)c1,CID2845400,,0.0,0.0,,,,,0.0,,,,,,,,,
COc1cccc(CNC2CCCC2)c1,CID775303,,0.0,,,,,,,,0.0,0.0,,,,,,
COc1cc(CNC2CCCC2)cc(OC)c1,CID775250,,,,0.0,,,0.0,,,0.0,0.0,0.0,0.0,,,,
COc1cccc(CN2CCN(CC(=O)Nc3ccccc3Cl)CC2)c1,CID3239517,0.0,,0.0,,,,,,,0.0,,,,,,0.0,0.0
COc1ccccc1NC(=O)CN1CCN(Cc2ccccc2)CC1,CID1243565,,,0.0,0.0,,,0.0,,,,,,,,,,
COC(=O)c1cccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)c1,CID2231830,0.0,,0.0,,,,0.0,,0.0,0.0,,0.0,0.0,0.0,,,
NS(=O)(=O)c1ccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1,CID2196398,,,,,0.0,,0.0,,,,,,,,,,
COC(=O)c1ccc(Cl)c(NC(=O)CN2CCN(Cc3ccccc3)CC2)c1,CID1259197,,,0.0,,,,0.0,,,,,,,,0.0,0.0,0.0
COc1ccc(N(CC(=O)N2CCc3ccccc32)S(=O)(=O)c2c(C)nn(C)c2C)cc1,CID6619540,,,,,,,,,,,,,,,0.0,,
COc1ccc(N(CC(=O)N2CCc3ccccc32)S(=O)(=O)c2c(C)n[nH]c2C)cc1,CID3239918,,,0.0,,0.0,,,,0.0,0.0,,,,,,0.0,0.0
Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)N1CCc2ccccc21)c1ccc(C(C)C)cc1,CID9551544,,,,,,0.0,,,,,0.0,,,0.0,,,
COc1ccc(N(CC(=O)N2c3ccccc3CC2C)S(=O)(=O)c2c(C)nn(C)c2C)cc1,CID5308311,,0.0,,,,0.0,,,,,,,,,,,
Cc1n[nH]c(C)c1S(=O)(=O)N(CC(=O)N1CCc2ccccc21)c1ccc(C(C)C)cc1,CID5307196,0.0,,,,,0.0,,0.0,,,,,,,,0.0,
O=C(CCc1nc(-c2ccccc2Cl)no1)NCc1ccco1,CID1251838,,,,,,,,,,,,,,0.0,,,
O=C(CCc1nc(-c2ccccc2F)no1)NCc1ccco1,CID866835,,,,,,,,0.0,,,,,,,,,
Cc1cccc(-c2noc(CCC(=O)NCc3ccco3)n2)c1,CID1842494,,,,,,,,,,,0.0,,,,0.0,,
Cc1ccc(-c2noc(CCC(=O)NCc3ccco3)n2)cc1,CID3159485,,,,,,,,,0.0,,0.0,0.0,,,,,
O=C(CCc1nc(-c2ccccc2)no1)NCc1ccco1,CID665591,0.0,0.0,,,,,,,0.0,,,0.0,0.0,,,,
O=c1c2ccccc2nc(-c2ccoc2)n1-c1ccccc1,CID1265861,,,,,,,,,0.0,,,,,,0.0,,
COc1ccccc1-n1c(-c2ccoc2)nc2ccccc2c1=O,CID1264081,,,0.0,,,0.0,0.0,0.0,,,,,,0.0,,,
O=c1c2ccccc2nc(-c2ccoc2)n1-c1ccccc1Cl,CID1263933,,,,,,,,,,,,,,0.0,0.0,,
COc1cccc(-n2c(-c3ccoc3)nc3ccccc3c2=O)c1,CID1263726,,,,,,,,,0.0,,0.0,,,,0.0,,
CCOc1ccc(-n2c(-c3ccoc3)nc3ccccc3c2=O)cc1,CID1265998,,,,,,,,,0.0,,,0.0,,0.0,0.0,,
CC(C)C1N=C2c3ccccc3N=C(SCc3cc(=O)n4ccccc4n3)N2C1=O,CID3243381,,0.0,,,,,,,,,0.0,,,,,0.0,
CC(C)C1N=C2c3ccccc3N=C(SCc3cc(=O)n4cc(Cl)ccc4n3)N2C1=O,CID3243827,0.0,0.0,,,0.0,,0.0,,,,,,,,0.0,,0.0
CC1N=C2c3ccccc3N=C(SCc3cc(=O)n4ccccc4n3)N2C1=O,CID3241999,,,,,,,,0.0,,0.0,,,,,,,
CC1N=C2c3ccccc3N=C(SCc3cc(=O)n4cc(Cl)ccc4n3)N2C1=O,CID3236922,0.0,,,0.0,0.0,,,,,,0.0,0.0,0.0,,,,0.0
CC(C)CC1N=C2c3ccccc3N=C(SCc3cc(=O)n4ccccc4n3)N2C1=O,CID3236527,0.0,,,,,,,0.0,,,,,,,,,
COCCCN1C(=O)C2=C(/C(=C3\C=CC=CC3=O)NN2)C1c1cccc(Cl)c1,CID5389996,,,0.0,0.0,,,,,,,,,0.0,,,,
CC(C)OCCCN1C(=O)C2=C(/C(=C3\C=CC=CC3=O)NN2)C1c1cccc(Cl)c1,CID5390023,,0.0,,,,,,,,,,,,,,,
COc1cc(C2C3=C(NN/C3=C3\C=C(C)C=C(C)C3=O)C(=O)N2CCCO)cc(OC)c1OC,CID5390029,,,,,,,,,,0.0,,,,,,,
COCCCN1C(=O)C2=C(/C(=C3\C=CC=CC3=O)NN2)C1c1ccc(Cl)cc1,CID5390052,,,0.0,,,,,,,,,,,,,,
COCCCN1C(=O)C2=C(/C(=C3\C=C(C)C=C(C)C3=O)NN2)C1c1ccc(O)c(OC)c1,CID5390042,,,,,,,,,,,,,0.0,,,,
CC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1,CID1263021,,,0.0,,0.0,,,,,,0.0,,0.0,,,,
COc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1,CID1548039,0.0,,0.0,0.0,0.0,,,,,0.0,,,,0.0,,,
Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1,CID2664760,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1,CID1548705,,,,,,0.0,,,,0.0,0.0,,,0.0,,,
O=C(Nc1ccccc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1,CID765575,0.0,,,,0.0,,0.0,,,,,,0.0,0.0,0.0,,
COc1ccccc1NC(=O)c1ccc(-c2nn(C)c(=O)c3ccccc23)cc1,CID1291216,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC(=O)c2ccc(-c3nn(C)c(=O)c4ccccc34)cc2)cc1,CID2203185,,,,,,0.0,,,0.0,,0.0,0.0,,,,,
CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(-c3nn(C)c(=O)c4ccccc34)cc2)cc1,CID2000148,,,,,,,,,,,,,,,0.0,,
CN(C(=O)c1ccc(-c2nn(C)c(=O)c3ccccc23)cc1)c1ccccc1,CID2035723,,,,,,,,,,,,0.0,,,,,
Cc1ccc(NC(=O)c2ccc(-c3nn(C)c(=O)c4ccccc34)cc2)c(C)c1,CID1292350,,,,,,0.0,,,,,0.0,,,,,,
Cc1ccc(-n2ncc3c(NCc4ccc5c(c4)OCO5)ncnc32)c(C)c1,CID661402,0.0,0.0,0.0,0.0,,,,,,,,,,,0.0,,0.0
COc1ccc(-n2ncc3c(NCc4ccc5c(c4)OCO5)ncnc32)cc1,CID661116,0.0,,0.0,,,,,,,,,,,,,,0.0
Cc1cccc(-n2ncc3c(NCc4ccc5c(c4)OCO5)ncnc32)c1,CID1304420,,,,,,,,,,,0.0,,,,,,0.0
c1ccc(-n2ncc3c(NCc4ccc5c(c4)OCO5)ncnc32)cc1,CID866519,0.0,0.0,0.0,,,,,0.0,,,0.0,,,,,,
Clc1ccc(-n2ncc3c(NCc4ccc5c(c4)OCO5)ncnc32)cc1,CID1186420,,,0.0,,,,,,,,0.0,,0.0,,,,
O=C1CC(SCc2nc3ccccc3[nH]2)C(=O)N1c1ccc(Cl)cc1,CID2951422,,,,,,0.0,,,0.0,,0.0,,,,,,
O=C1CC(SCc2nc3ccccc3[nH]2)C(=O)N1c1ccc(F)cc1,CID2950022,0.0,0.0,,,0.0,,0.0,0.0,,0.0,,,,,,,0.0
O=C1CC(SCc2nc3ccccc3[nH]2)C(=O)N1c1ccc(F)c(Cl)c1,CID2961800,,,,,,,,,,,0.0,0.0,,,,,
O=C1CC(SCc2nc3ccccc3[nH]2)C(=O)N1c1cccc(Cl)c1,CID2953031,,,,,,,,,,0.0,0.0,0.0,,,0.0,,
O=C1CC(SCc2nc3ccccc3[nH]2)C(=O)N1c1cccc(F)c1,CID2961805,0.0,0.0,,,0.0,,0.0,,,,,,,,,0.0,0.0
CN(C)c1ccc(/C(=N/O)c2ccccc2)cc1,CID239155,,,0.0,,,,0.0,,,,,,,,,,
CC(C)COc1ccc(/C(=N/O)c2ccccc2)cc1,CID704274,,,,,,,,,,,0.0,,,0.0,0.0,,
C=CCNCC(=O)NN=C(c1ccccc1)c1ccccc1,CID2765793,,,,,,,,,,,,0.0,,,,,
CC(O)COc1ccc(/C(=N/O)c2ccccc2)cc1,CID3242327,,,,,,0.0,,0.0,,,,,,,,,0.0
Nc1ccc(Cl)cc1/C(=N/O)c1ccccc1,CID86654,0.0,,,0.0,,,,,,,0.0,,,,,,0.0
COCc1cc(C)n(CC(=O)Nc2ccccc2OC)c(=O)c1C#N,CID647512,,,,,,,,0.0,,,,,,,,,
CCOc1ccccc1NC(=O)Cn1c(C)cc(COC)c(C#N)c1=O,CID645446,,,0.0,,,,0.0,,,,,,,,,0.0,
Cc1ccc(NC(=O)Cn2c(C)cc(C)c(C#N)c2=O)c(Cl)c1,CID3245264,,0.0,,,,,,,,,,,,,,0.0,
Cc1ccc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)cc1Cl,CID2097459,,,,,,,,,,,,,,0.0,,,
COCc1cc(C)n(CC(=O)Nc2ccccc2C(=O)OC)c(=O)c1C#N,CID655762,,,,,,,,0.0,,,,,0.0,,0.0,0.0,0.0
Nc1ccc2nc(-c3ccccn3)[nH]c2c1,CID542828,,,,,,,,,,,,0.0,,,,,
CC(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1,CID651000,,0.0,,,,,,,,,,0.0,0.0,,0.0,0.0,
CCOC(=O)Cn1c(-c2ccccn2)nc2ccccc21,CID869802,,0.0,,,,0.0,0.0,,0.0,,,,0.0,,0.0,,
CCN(CC)CCNC(=O)Cn1c(-c2ccccn2)nc2ccccc21,CID2959501,,0.0,,0.0,,,,,,,,,,,,,
c1ccc(-c2nc3ccccc3[nH]2)nc1,CID70821,,,,,,,,,,,,,,,0.0,,
Cc1cccc(C)c1N(CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1)S(C)(=O)=O,CID1007840,,,,,,,,,,,,,,,0.0,,
Cc1ccc(N(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)S(C)(=O)=O)cc1C,CID1007833,,,,,,0.0,,,,,,0.0,,,,,
Cc1ccc(N(C(C)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)S(C)(=O)=O)cc1,CID2978939,,,,,,,,,,,,0.0,,,,,
Cc1ccc(N(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)S(C)(=O)=O)c(C)c1,CID989332,,,,,,,,,,,,0.0,,,,,
Cc1ccc(C)c(N(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)S(C)(=O)=O)c1,CID1007795,,,,,,,,,,,,0.0,,,0.0,,
COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)/C=C/c1ccco1,CID2391853,,,,,,,,,,,,,,,0.0,,
CC(OC(=O)/C=C/c1ccco1)C(=O)Nc1cccc([N+](=O)[O-])c1,CID6008405,,,,,,,,,,,,,,0.0,,,
CC(=O)c1ccccc1NC(=O)COC(=O)/C=C/c1ccc(C)o1,CID2508870,,,,,,,,,,,,,,,0.0,,
O=C(COC(=O)/C=C/c1ccc(Br)o1)Nc1ccccc1F,CID2391369,,,,,,,,,,,,,,,0.0,,
COC(=O)c1ccccc1NC(=O)COC(=O)/C=C/c1ccco1,CID2365755,,,,,,,,,,,,,,,0.0,,
CCN1CCN(c2ncc(C(=O)Nc3cc(Cl)c(OC)cc3OC)c3ccccc23)CC1,CID3242961,0.0,0.0,,,,,,,,,,,,,,,
CCN1CCN(c2ncc(C(=O)Nc3ccccc3C(=O)OC)c3ccccc23)CC1,CID3239606,0.0,0.0,0.0,,,,,,,0.0,0.0,0.0,,,,0.0,
CCN1CCN(c2ncc(C(=O)Nc3c(F)cc(F)cc3Br)c3ccccc23)CC1,CID3242289,0.0,,,,,,,,0.0,,0.0,,,,,0.0,
CCN1CCN(c2ncc(C(=O)Nc3cc(Cl)ccc3OC)c3ccccc23)CC1,CID3236659,0.0,,,0.0,,,,,,0.0,0.0,,,,,,
CCN1CCN(c2ncc(C(=O)Nc3ccc(F)cc3F)c3ccccc23)CC1,CID3236041,0.0,,,,0.0,,0.0,,,,,,,,,,
COCCCNC(=O)C1CC(=O)N(C2CCCC2)C1,CID3238541,,,,,,0.0,,,,0.0,,,,,,,
COCCNC(=O)C1CC(=O)N(C2CCCC2)C1,CID3236873,,0.0,,,,,,,,0.0,,,,,,,
CCOCCCNC(=O)C1CC(=O)N(C2CCCC2)C1,CID3236833,,,,0.0,,,,0.0,,,,,,,,0.0,0.0
CC(C)CCNC(=O)C1CC(=O)N(C2CCCC2)C1,CID4531782,,,,,,,,,,,,,,,0.0,,
O=C(O)C1CCC(=O)N1C1CCCC1,CID3237791,,,,0.0,,,,,,,,,,,,,
Cc1cccc(-n2c(-c3csc(C)c3)n[nH]c2=S)c1,CID843633,,,,,,,,,,,,,,,0.0,,
CCc1cc(-c2n[nH]c(=S)n2-c2ccccc2C)cs1,CID843558,,,,,,0.0,,,,,,,,,,,
CCc1cc(-c2n[nH]c(=S)n2-c2cccc(C)c2)cs1,CID843656,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1-n1c(-c2csc(C)c2C)n[nH]c1=S,CID843914,,,,,,,,,,,,,,0.0,,,
Cc1cccc(-n2c(-c3csc(C(C)C)c3)n[nH]c2=S)c1,CID843897,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1cnn(-c2nc(SC)nc3sc4c(c23)CCCC4)c1N,CID1881968,,,,,,,,,0.0,0.0,,,,,,,
CCCSc1nc(-n2ncc(C#N)c2N)c2c3c(sc2n1)CCC(C)C3,CID2980731,,,,,,,,,,0.0,,,,,,,
Cc1cc(C)n(-c2nc(C)nc3sc4c(c23)CCC(C)C4)n1,CID2999576,0.0,,,,,,,,,,,,,,,0.0,
Cc1cc(C)n(-c2ncnc3sc4c(c23)CC(C)CC4)n1,CID2918677,,0.0,,,,,0.0,,,,0.0,,,,,,
Cc1cc(C)n(-c2ncnc3sc4c(c23)CCCC4)n1,CID700941,,0.0,,,,,0.0,,,0.0,0.0,,,,0.0,,
CC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)cc1,CID5307126,,,,,,,,0.0,,,,,,,,,
COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)cc1OC,CID5309806,,,0.0,0.0,,,0.0,0.0,,,,,,,,,
COc1ccc(C)cc1NC(=O)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1,CID5307753,,,,,,,,0.0,,,,,,,,,
Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)c1,CID5307150,,,,,,,,0.0,,,,,,,,,
COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)cc1,CID5308966,0.0,,0.0,0.0,,,,,,,,,,,,,
C=CCn1/c(=N/C(=O)c2ccccc2[N+](=O)[O-])sc2cc(S(C)(=O)=O)ccc21,CID4426551,,,,,,,,,,,,,,0.0,,,
COc1cc(OC)cc(C(=O)/N=c2\sc3ccccc3n2C)c1,CID2320992,,,,,,,,,,,,,,0.0,,,
COc1cccc(C(=O)/N=c2\sc3c(C)ccc(OC)c3n2C)c1,CID2150833,,,,,,,,,,,,,,0.0,,,
COc1ccc(C)c2s/c(=N\C(=O)c3ccc(C#N)cc3)n(C)c12,CID2150860,,,,,,,,0.0,,,,,0.0,,,0.0,0.0
COc1ccc(C(=O)/N=c2\sc3c(C)ccc(OC)c3n2C)cc1,CID2150837,,,,,,,,,,,,,,0.0,,,
Cn1c(=O)oc2cc(S(=O)(=O)NCCc3ccccc3)ccc21,CID1093460,,0.0,0.0,,,,,,,0.0,,,,,,0.0,
Cc1cccc(CCNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1,CID3242089,0.0,,0.0,0.0,,,,,,0.0,0.0,,0.0,,,,
CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)NCCc3ccc(C)cc3)ccc21,CID5308760,,,,,,,,,,,,,,0.0,,,
CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)NCCc3ccc(OCC)c(OCC)c3)ccc21,CID3239699,,,,,,,,0.0,,0.0,,,0.0,,,,
COc1ccc(CCNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1OC,CID1859520,,,,,,,,0.0,,,,,,,,,
O=C(CSc1nnnn1-c1ccccc1)N1CCc2ccccc2C1,CID1286493,0.0,,,,0.0,,0.0,,,,0.0,,,,,,
CC(=O)c1ccc(-n2nnnc2SCC(=O)N2CCc3ccccc3C2)cc1,CID646014,0.0,,,,0.0,,,0.0,,,0.0,,0.0,,,0.0,
Cc1ccc(-n2nnnc2SCC(=O)N2CCc3ccccc3C2)c(C)c1,CID2485684,0.0,0.0,,,0.0,,0.0,,,,0.0,,,,,,
O=C(CSc1nnnn1-c1ccc(Cl)cc1)N1CCc2ccccc2C1,CID2610393,,0.0,0.0,,0.0,,,,,,0.0,,,,,,
Cc1ccc(-n2nnnc2SCC(=O)N2CCc3ccccc3C2)cc1,CID1164138,0.0,,0.0,,0.0,,0.0,0.0,,,0.0,,,,,0.0,
CCOC(=O)c1c(NC(=O)CSc2nnnn2C)sc(CC)c1C,CID2630233,0.0,0.0,,0.0,0.0,,0.0,,0.0,,,,,,,0.0,0.0
CCOC(=O)c1c(NC(=O)CSc2nnnn2CC)sc(C)c1C,CID654756,0.0,0.0,,,0.0,0.0,0.0,,0.0,,,,0.0,,,,
COC(=O)c1c(NC(=O)CSc2nnnn2C)sc(C)c1C,CID2630180,0.0,0.0,,0.0,,,0.0,,,0.0,,,,,,0.0,
CCOC(=O)c1c(NC(=O)CSc2nnnn2C)sc(C)c1C,CID648007,0.0,0.0,,,0.0,0.0,0.0,,,,,,,,0.0,0.0,
CCn1nnnc1SCC(=O)Nc1sc(C)c(C)c1C#N,CID3212922,,,,,,,,,,0.0,,,,,,,
COc1ccccc1NC(=O)CSc1nnc(-c2ccccn2)n1Cc1ccco1,CID662658,,0.0,,,,,,,,,,,,,,,0.0
COc1cc(Cl)c(C)cc1NC(=O)CSc1nnc(-c2ccccn2)n1Cc1ccco1,CID662887,0.0,0.0,0.0,0.0,0.0,,0.0,,0.0,,0.0,0.0,,,,,
COc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1OC,CID1996809,,,,,,,,,,,0.0,,,,,,
CCOc1ccccc1NC(=O)CSc1nnc(-c2ccccn2)n1Cc1ccco1,CID662804,,,,,,0.0,,,,,0.0,0.0,,,,0.0,0.0
COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccccn2)n1Cc1ccco1,CID662488,,,0.0,,,,,,,,,,,,,,0.0
Cc1ccc(-n2c3c(cc(C(=O)O)c2=O)C(=O)CC(C)(C)C3)cc1,CID652806,,,,,,,,0.0,,,,,0.0,0.0,,,
CCOC(=O)c1cc2c(n(-c3ccc(C)cc3)c1=O)CCCC2=O,CID654868,,,,,,,0.0,,,,,,,,,0.0,
CCOC(=O)c1cc2c(n(-c3ccccc3)c1=O)CC(C)(C)CC2=O,CID2852445,,,,,,,0.0,,,,,,,,,0.0,
CCOC(=O)c1cc2c(n(-c3ccc(Cl)cc3)c1=O)CCCC2=O,CID5072317,,,,,,,,,,,,,,0.0,,,
CC1(C)CC(=O)c2cc(C(=O)O)c(=O)n(-c3ccccc3)c2C1,CID872009,,,,,,,,,,,,,,0.0,,,
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCNCC1)n2Cc1cccc2ccccc12,CID652803,,,0.0,,,,0.0,,,,0.0,,,,,0.0,
Cn1c(=O)c2c(nc(N3CCNCC3)n2Cc2cccc3ccccc23)n(C)c1=O,CID651097,,0.0,0.0,,,,,0.0,,0.0,,,,,,,0.0
CCN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc3ccccc23)CC1,CID1303031,,,,,,,,,,0.0,,,0.0,,,,
CN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cccc3ccccc23)CC1,CID654166,,0.0,,,,,,0.0,,,,,,,,,0.0
CN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc3ccccc23)CC1,CID663989,0.0,0.0,,,,,,,,0.0,0.0,,,,,,
CC(C)CCn1c(SCC(=O)c2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,CID651551,,0.0,,,,,,,0.0,,,,,,,,
CCCCCCn1c(SCC(=O)c2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,CID3120050,0.0,,,,,,,,,,,,,,,,
CCn1c(SCC(=O)c2cc(OC)ccc2OC)nc2c1c(=O)n(C)c(=O)n2C,CID650639,,,0.0,,,,,,,,,,0.0,,,,0.0
CCCCn1c(SCC(=O)c2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,CID646940,,0.0,,0.0,,,,,0.0,,,,,,,0.0,0.0
CCCn1c(SCC(=O)c2cc(OC)ccc2OC)nc2c1c(=O)n(C)c(=O)n2C,CID645550,,,,,,,,0.0,,,,0.0,0.0,,,,0.0
COCCCNC(=O)COC(=O)c1ccc(-c2nc3ccccc3s2)s1,CID2413900,,,,,,,,,,,,,,0.0,,,
Brc1ccc(-c2nc3ccccc3s2)s1,CID2384712,,,,,,,,,0.0,,,,,,,,
CNC(=O)COC(=O)c1ccc(-c2nc3ccccc3s2)s1,CID2436417,,,,,,,,,,,,,,0.0,,,
CCCNC(=O)c1ccc(-c2nc3ccccc3s2)s1,CID2452036,,,,,,0.0,,,,,,,,0.0,,,
CCNC(=O)COC(=O)c1ccc(-c2nc3ccccc3s2)s1,CID2435855,,,,,,,,,,,,,,0.0,,,
COC(=O)c1sc(S(=O)(=O)NCc2ccccc2)c(C(=O)OC)c1C,CID1186218,,,,,,,,,,0.0,,,,0.0,0.0,,
O=S(=O)(NCc1ccccc1Cl)c1cccs1,CID971284,,,,,,,,,,,,,,0.0,,,
CN(Cc1ccccc1)S(=O)(=O)c1cccs1,CID3157268,,,,,,,,,,0.0,,,,,0.0,,
COC(=O)c1c(S(=O)(=O)NCc2ccccc2)sc(C(=O)O)c1C,CID2412324,,,,,,,,,,,,,,0.0,,,
O=S(=O)(NCc1ccccc1)c1cccs1,CID765826,,,,,,0.0,,,,0.0,,,,,,,
Cc1ccc(S(=O)(=O)c2cc3c(=O)n4cc(C)ccc4nc3n(CC3CCCO3)c2=N)cc1,CID665361,,,,0.0,,0.0,,0.0,0.0,0.0,,,0.0,,,0.0,0.0
Cc1ccc(S(=O)(=O)c2cc3c(=O)n4ccccc4nc3n(CC3CCCO3)c2=N)cc1C,CID665503,,0.0,,,,,0.0,0.0,0.0,,,,0.0,,,,0.0
Cc1ccc(S(=O)(=O)c2cc3c(=O)n4cccc(C)c4nc3n(CC3CCCO3)c2=N)cc1,CID661708,,,,,,0.0,,,0.0,,,,,,,0.0,0.0
N=c1c(S(=O)(=O)c2ccccc2)cc2c(=O)n3ccccc3nc2n1CC1CCCO1,CID646405,,,0.0,,,,,0.0,0.0,0.0,,,,,,,0.0
Cc1ccc(S(=O)(=O)c2cc3c(=O)n4ccccc4nc3n(CC3CCCO3)c2=N)cc1,CID2937541,,,0.0,,,,,,0.0,,,,,,,,0.0
COc1ccc(-n2nnnc2SCC(=O)NCc2ccco2)cc1OC,CID645812,,,,,,,0.0,0.0,,,,,0.0,,,,
O=C(CSc1nnnn1-c1ccccc1)NCc1ccco1,CID673910,,,,,,,,,,,0.0,,,,0.0,,
COc1cccc(-n2nnnc2SCC(=O)NCc2ccco2)c1,CID656266,,,,,,,,0.0,,,,,0.0,,,0.0,
CCC(=O)Nc1cccc(-n2nnnc2SCC(=O)NCc2ccco2)c1,CID648605,,,,,0.0,,,,,,0.0,,,,,0.0,
CCOC(=O)c1ccc(CNC(=O)CSc2nnnn2-c2ccc(Cl)cc2)o1,CID1261884,0.0,0.0,0.0,0.0,0.0,,,,0.0,,,,0.0,,,,0.0
O=C1Nc2ccccc2/C1=C/C(=O)c1cccs1,CID948464,,,,,,,,,,0.0,,,,0.0,,,
Cc1cc(C)c2c(c1)/C(=C/C(=O)c1ccc(Br)s1)C(=O)N2,CID2199612,,,,,,,,,0.0,,,,,,,,
Cc1cccc2c1NC(=O)/C2=C\C(=O)c1cccs1,CID2199592,,,,,,,,,,0.0,,,,0.0,,,
CCc1ccc2c(c1)/C(=C/C(=O)c1cccs1)C(=O)N2,CID977927,,,,,,,,,0.0,,,,,,,,
CN1C(=O)/C(=C\C(=O)c2cccs2)c2ccccc21,CID2199895,,,,,,,,,,,,,,,0.0,,
Cc1oc(C(=O)O)cc1COc1ccccc1Cl,CID877499,,0.0,,0.0,,,,,,0.0,,,,0.0,,,
Cc1oc(C)c(C(=O)O)c1COc1ccc(C(=O)O)cc1,CID877319,,,0.0,,,,,0.0,,,,0.0,,0.0,0.0,,
COC(=O)c1cc(OC)c(OCc2cc(C(=O)OC)oc2C)c(OC)c1,CID1240161,,,,,,,,,,,0.0,,,,,,
COc1cc(C(=O)O)cc(OC)c1OCc1cc(C(=O)O)oc1C,CID877471,,,,,,0.0,,,,,,,,,,0.0,
Cc1ccc(OCc2ccoc2C(=O)O)cc1C,CID580604,,,,,,,,0.0,1.0,,0.0,,,0.0,,0.0,0.0
Cc1nc(NCCN2CCOCC2)c2nnn(Cc3c(F)cccc3Cl)c2n1,CID653659,,,0.0,,,,,,,0.0,,,,,,,
Clc1ccccc1Cn1nnc2c(NCCN3CCOCC3)ncnc21,CID653228,0.0,0.0,0.0,,,,,,,,,,0.0,,,,
c1ccc(Cn2nnc3c(NCCN4CCOCC4)ncnc32)cc1,CID645924,,0.0,,,,,,,,,0.0,,,,,,
Cc1nc(NCCN2CCOCC2)c2nnn(Cc3ccccc3Cl)c2n1,CID649085,0.0,,,0.0,,,0.0,,,,,,,,,,
CC(C)(C)c1nc(NCCN2CCOCC2)c2nnn(Cc3ccccc3Cl)c2n1,CID654918,,,0.0,,,,0.0,,,,,,,,,,
CSc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)CCC4,CID649310,0.0,,0.0,0.0,0.0,0.0,0.0,,,0.0,,,0.0,,,,
COc1ccccc1-n1c(=O)c2c3c(sc2n2c(SC)nnc12)CCC3,CID659283,0.0,0.0,,,0.0,,0.0,,,,,,,,,,
C=CCSc1nnc2n(-c3ccccc3OC)c(=O)c3c4c(sc3n12)CCC4,CID659420,0.0,,0.0,,0.0,,0.0,,,,,,,,,,
COc1ccccc1-n1c(=O)c2c3c(sc2n2c(SC(C)C)nnc12)CCC3,CID659091,0.0,,,,0.0,,0.0,,,,0.0,,,,,,
CCCSc1nnc2n(-c3ccccc3OC)c(=O)c3c4c(sc3n12)CCC4,CID659208,0.0,,,,0.0,,,,,,0.0,,,,,,
CCC(=O)Oc1c(S(=O)(=O)c2ccc(C)cc2)c(C)nn1C(C)(C)C,CID3239869,,,,,,,,,0.0,,,,0.0,,,,
Cc1ccc(S(=O)(=O)c2c(C)nn(C(C)(C)C)c2OC(=O)C(C)C)cc1,CID3660044,,,,,,,,,,,,,,,0.0,,
Cc1ccc(S(=O)(=O)c2c(C)nn(C(C)(C)C)c2OC(=O)C(C)(C)C)cc1,CID3240536,,,,,,,0.0,0.0,,,0.0,,,,,,
CC(=O)Oc1c(S(=O)(=O)c2ccc(C)cc2)c(C)nn1C(C)(C)C,CID3237499,,,,,,0.0,,,0.0,,,,0.0,,,0.0,
CC(=O)Oc1c(S(=O)(=O)c2ccccc2)c(C)nn1C(C)(C)C,CID977848,,,,,,,0.0,0.0,0.0,0.0,,0.0,0.0,0.0,,0.0,0.0
CCOC(=O)c1c(C#N)c(SCC(=O)Nc2ccc(OC)cc2)nc2c1CN(CC)CC2,CID1301937,,0.0,,,,,,,0.0,0.0,,,0.0,,,,
CN1CCc2nc(SCC(=O)Nc3ccc(Cl)cc3)c(C#N)cc2C1,CID660941,0.0,,0.0,,0.0,,,,,,0.0,0.0,,,,,0.0
COc1ccc(NC(=O)CSc2nc3c(cc2C#N)CN(C)CC3)cc1,CID645967,,0.0,0.0,0.0,,,,,,,0.0,,,,,,
CCN1CCc2nc(SCC(=O)Nc3ccc(OC)cc3)c(C#N)cc2C1,CID644695,,0.0,,0.0,,,,,,,0.0,,,,,,
CN1CCc2nc(SCC(=O)Nc3ccc(F)cc3)c(C#N)cc2C1,CID656288,0.0,,,,,,,0.0,,0.0,,,,,,0.0,
Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2NCc2ccco2)cc1C,CID664753,,,,,,,,0.0,,,0.0,,,,,0.0,0.0
O=S(=O)(Nc1nc2ccccc2nc1NCc1ccco1)c1ccc(Cl)cc1,CID663095,0.0,0.0,0.0,,0.0,,,,0.0,,0.0,0.0,,,,,0.0
O=S(=O)(Nc1nc2ccccc2nc1NCc1ccco1)c1ccccc1,CID662383,,0.0,,0.0,,,,,,,,,0.0,,,0.0,
Cc1cccc(S(=O)(=O)Nc2nc3ccccc3nc2NCc2ccco2)c1,CID663528,,0.0,,,,,,,,,,,0.0,,,0.0,0.0
Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2NCc2ccco2)cc1,CID1394573,,0.0,0.0,,,,0.0,,,,,,,,,0.0,0.0
Cc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2nnc(C)s2)cc1,CID3243260,,0.0,,,,,,,,,0.0,,0.0,,,,
Cc1nnc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2cccc(C)c2C)s1,CID5310300,,,,,,,,,,,0.0,,,,,,
CCSc1nnc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(C)cc2)s1,CID3245235,,,,0.0,0.0,,,,,,,,,,,,
Cc1nnc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccccc2)s1,CID5310487,,,0.0,,,,,,,,,,0.0,,,,
CCSc1nnc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)s1,CID3244487,,,,,0.0,,0.0,,,,,,,,,,
O=C(O)c1ccccc1NCc1ccncc1,CID3239010,,0.0,,,,0.0,,,,,,,,,,,
Cc1cc(F)ccc1NCc1ccncc1,CID792097,,,,0.0,,,,,,,,,0.0,,0.0,,
O=C(O)c1ccc(NCc2ccncc2)cc1,CID935163,,,,,,,,,,0.0,,,,,,,
O=C(O)c1cccc(NCc2ccncc2)c1,CID935190,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1ccc(NCc2ccncc2)cc1,CID409350,,,,,,,,,,0.0,,0.0,,,,,
CC(C)COc1ccc(CNC(=S)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1,CID1420263,,,,,,,,,,,0.0,,,,,,
CN(C)c1ccc(/C=N/NC(=S)NCc2ccccc2)cc1,CID775092,,,,,,0.0,,,,,,,,,,,
CCCOc1ccc(CNC(=S)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1,CID1822005,,,,,,,,,,,,,,,0.0,,
C/C(=N\NC(=S)NCc1ccccc1)c1ccccc1,CID1534748,,,,,,,,,,,,,,0.0,,,
C/C(=N\NC(=S)NCc1ccccc1)c1cccc(Br)c1,CID5097436,,,,,,,,,,,,,,,0.0,,
Cc1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)s1,CID2063633,,0.0,0.0,,0.0,,,,,,,,,0.0,0.0,,
O=C(CSc1nncs1)Nc1ccc2c(c1)OCCO2,CID2507641,,,,,,0.0,,,,,,,,,,,
Cc1nnc(SC(C)C(=O)Nc2ccc3c(c2)OCCO3)s1,CID2999001,0.0,,,0.0,0.0,,0.0,,0.0,0.0,0.0,,,,,,
CC(C)Nc1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)s1,CID2501478,,,,,,0.0,,,0.0,0.0,,,,,,,
Nc1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)s1,CID2059964,,,,,,,,,0.0,0.0,,,,,,,
CCOc1cccc(-c2nnc3sc(-c4cccs4)nn23)c1,CID662824,0.0,,0.0,0.0,0.0,0.0,,,,,,,,,0.0,,
COc1cccc(-c2nnc3sc(-c4cccs4)nn23)c1,CID662326,,,,0.0,0.0,,,,,,,,,0.0,0.0,,
COc1ccc(-c2nnc3sc(-c4cccs4)nn23)cc1OC,CID661678,0.0,,,0.0,0.0,0.0,,,,0.0,,0.0,,,,,0.0
COc1cc(-c2nnc3sc(-c4cccs4)nn23)cc(OC)c1OC,CID666377,0.0,0.0,0.0,0.0,0.0,,0.0,,,0.0,0.0,,0.0,0.0,,,
Clc1ccccc1-c1nnc2sc(-c3cccs3)nn12,CID2215524,,0.0,,,,,,,0.0,,,,,0.0,,,
O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)N2CCC1CC2,CID711560,,,,,,,,,,,,,,,0.0,,
O=C1/C(=C/c2ccccc2O)N2CCC1CC2,CID2265554,,,,,,0.0,,,,,,,,,,,
O=C1/C(=C/c2cc([N+](=O)[O-])ccc2Cl)N2CCC1CC2,CID1482144,,,,,,,,,,,,,,0.0,,,
O=C1/C(=C/c2cccc([N+](=O)[O-])c2)N2CCC1CC2,CID763526,,,,,,,,,,,,,,,0.0,,
COc1ccccc1/C=C1/C(=O)C2CCN1CC2,CID711535,,,,,,0.0,,,,,,,,,,,
Cc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCN4C(=O)CCC(=O)O)CC2C)c1,CID9551303,,,,,,0.0,,,,,,,,,,,
Cc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCN4C(=O)CCC(=O)O)CC2)c1C,CID3235751,,,,0.0,,,,,,,,,0.0,,,,0.0
O=C(O)CCC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)ccc21,CID5309616,,,,,,,0.0,,,,,,0.0,,,,0.0
Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccc4c(c3)CCN4C(=O)CCC(=O)O)CC2)c1,CID6622503,,,,,,0.0,,,,,,,,,,,
COC(=O)CCC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4ccccc4Cl)CC3)ccc21,CID3244245,0.0,,,,0.0,,,,,,,,,,,,
COc1ccc(-c2cc(-c3ccccc3)n3ncnc3n2)cc1,CID661730,,,,,,0.0,,,,,,0.0,,,,,0.0
CC(=O)Nc1nc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1,CID703040,,,,,,,,,,,,0.0,,,,,
c1ccc(-c2cc(-c3ccccc3)n3ncnc3n2)cc1,CID2834454,,,,,,,,,,,,,,,0.0,,
CCCC(=O)Nc1nc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1,CID1874058,,,,,,0.0,,,,,0.0,,,,,,
COc1ccc(-c2cc(-c3ccc(Br)cc3)nc3ncnn23)cc1OC,CID2197260,,,,,,,,,0.0,,0.0,,,,0.0,,
COc1ccc(C(=O)CSc2nnc(-c3cccnc3)n2Cc2ccco2)cc1,CID662283,0.0,0.0,0.0,,0.0,,,0.0,,,,,,,,0.0,0.0
O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)c1ccc(Cl)cc1,CID663010,0.0,,0.0,,0.0,,0.0,,,,,0.0,,,,,
O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)c1ccc(Br)cc1,CID2257756,0.0,,,,,,0.0,,,,0.0,,,0.0,,0.0,
O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)c1ccccc1,CID1242286,,,0.0,,0.0,,,,,,0.0,,,,,0.0,
O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)c1ccc(Cl)c(Cl)c1,CID662667,0.0,,,,0.0,,,,,,,,0.0,,,,
CSc1cccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1,CID3245054,,,,,0.0,,0.0,,,,,,,,,0.0,
COc1cc(NC(=O)C2CCCN2S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc(OC)c1,CID5308597,,,0.0,,,,,0.0,,,,,,,,,
Cc1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1Cl,CID3620068,0.0,,,,0.0,,,,,,,,,,,,
COc1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1Cl,CID5308942,0.0,,0.0,,,,,,,,,,,,,,
COc1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c(OC)c1,CID5309754,,,,,,,0.0,,0.0,,,,,,,,
CCOC(=O)C1CCN(C(=O)c2cc3cc4cc(OC)ccc4nc3o2)CC1,CID3244985,,,,,,,,0.0,,,,,0.0,,,,
Cc1ccc2cc3cc(C(=O)N4CCCCC4C)oc3nc2c1,CID3245843,0.0,,,,0.0,0.0,,,,,,,,,,,
COc1ccc2nc3oc(C(=O)N4CCCCC4)cc3cc2c1,CID3237525,0.0,,,,0.0,,,0.0,,,0.0,,0.0,,,,0.0
COc1ccc2nc3oc(C(=O)N4CCC(C(N)=O)CC4)cc3cc2c1,CID3244342,0.0,,,,,0.0,,,,,,,0.0,,,,0.0
Cc1ccc2cc3cc(C(=O)N4CC(C)CC(C)C4)oc3nc2c1,CID3235923,,,0.0,,,,,0.0,,0.0,0.0,,,,,,
O=C(Nc1ccccc1Oc1ccccc1)c1cccc([N+](=O)[O-])c1,CID804211,,,,,,,,,,,,0.0,,,,,
Cc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1[N+](=O)[O-],CID3405198,,,,,,0.0,,,,,,,,0.0,,,
O=C(O)c1ccc(C(=O)Nc2ccccc2Oc2ccccc2)c(C(=O)O)c1,CID4914938,,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccccc1Oc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl,CID1222721,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1[N+](=O)[O-],CID2209018,,,,,,,,,,,,,,0.0,,,
COc1cc2cc(C(c3nnnn3C(C)(C)C)N3CCc4ccccc43)c(=O)[nH]c2cc1OC,CID647043,0.0,,0.0,,,,,,,,,0.0,0.0,,,,
CCC(C)(C)n1nnnc1C(c1cc2cc(OC)c(OC)cc2[nH]c1=O)N1CCc2ccccc21,CID645500,,0.0,,,,,,,,0.0,,0.0,,,0.0,,
CCC(C)(C)n1nnnc1C(c1cc2cc(OC)ccc2[nH]c1=O)N1CCc2ccccc21,CID649332,,,,,,,,,,0.0,,0.0,,,,,
CCC(C)(C)n1nnnc1C(c1cc2ccc(OC)cc2[nH]c1=O)N1CCc2ccccc21,CID647208,0.0,,0.0,,,,,,,0.0,,0.0,,,,,
COCCn1nnnc1C(c1cc2cc(C)ccc2[nH]c1=O)N1CCc2ccccc21,CID3187041,,,,,,,,,,0.0,,,,,,,
CCc1ccc(N2CSC3=C(C#N)C(c4cccs4)CC(=O)N3C2)cc1,CID666848,0.0,,,,,,,,,,,,,,,0.0,
N#CC1=C2SCN(c3ccccc3)CN2C(=O)CC1c1cccs1,CID667120,0.0,,,,0.0,,,,,,0.0,,0.0,0.0,,,
COc1ccc(N2CSC3=C(C#N)C(c4cccs4)CC(=O)N3C2)cc1,CID667173,0.0,0.0,,,,0.0,0.0,,,,0.0,,,0.0,,0.0,
CCOC(=O)c1ccc(N2CSC3=C(C#N)C(c4cccs4)CC(=O)N3C2)cc1,CID5308357,,,,,,,0.0,,0.0,,,,0.0,,,,0.0
Cc1ccc(N2CSC3=C(C#N)C(c4cccs4)CC(=O)N3C2)cc1,CID3160859,,,,,,0.0,,,,,0.0,,,,,,
CC(/C=N/NC(=O)c1ccncc1)=C\c1ccccc1,CID2143229,,,,,,0.0,,,,,,,,,,,
CC(/C=C/c1cccc([N+](=O)[O-])c1)=N\NC(=O)c1ccncc1,CID830048,,,,,,,,,,,,,,0.0,,,
O=C(N/N=C/C=C\c1ccccc1[N+](=O)[O-])c1ccncc1,CID1864653,,,,,,,,,,,,,,0.0,,,
CC(/C=C/c1ccccc1)=N\NC(=O)c1ccncc1,CID870959,,,,,,,,,,,,0.0,,,,,
CC(/C=N/NC(=O)c1ccncc1)=C\c1ccc(C(C)C)cc1,CID775138,,,,,,,,,,,,0.0,,,,,
COc1cccc(-n2nnnc2SCC(=O)Nc2cccc(C)n2)c1,CID649682,,0.0,,,0.0,,,0.0,,,,,0.0,,,,0.0
COc1ccc(-n2nnnc2SCC(=O)Nc2cccc(C)n2)cc1OC,CID653701,,0.0,0.0,0.0,0.0,,,,,,,,,,,0.0,
CC(Sc1nnnn1-c1ccccc1)C(=O)Nc1ccc(Cl)cn1,CID2997906,,0.0,,,0.0,,,,,0.0,0.0,,,,,,0.0
O=C(CSc1nnnn1-c1ccccc1)Nc1ccc(Cl)cn1,CID974456,,0.0,,0.0,0.0,,,,,,0.0,,,,,,0.0
Cc1ccc(-n2nnnc2SC(C)C(=O)Nc2ccc(Cl)cn2)cc1,CID2998066,,0.0,,,0.0,,,,0.0,,,,,,,,
CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)C1c1cccs1,CID2858017,,,,,0.0,,0.0,,,,0.0,,,,,,
N#CC1=C(N)OC2=C(C(=O)CCC2)C1c1cccs1,CID2737878,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)C1c1ccc(C)s1,CID2858178,,,0.0,0.0,0.0,,,,,,,,0.0,,0.0,,
COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)C1c1cccs1,CID2889709,,,,,0.0,,0.0,0.0,,,,,,,,,
COC(=O)C1=C(N)OC2=C(C(=O)CCC2)C1c1cccs1,CID649942,,,,,0.0,,,,,,,,,,,,
Cc1cc2nc(-c3cccc(NC(=O)COc4ccccc4[N+](=O)[O-])c3)oc2cc1C,CID1363554,,,,,,0.0,,,,,,,,,,,
COc1ccccc1OCC(=O)Nc1cccc(-c2nc3ccccc3o2)c1,CID1296394,0.0,,,,,,,0.0,0.0,0.0,0.0,,,,,,0.0
CCc1ccc2oc(-c3cccc(NC(=O)COc4ccc(OC)cc4)c3)nc2c1,CID1362075,,,,,,0.0,,,,,,,,,,,
COc1ccc(OCC(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1,CID1349116,0.0,,0.0,,,,,,0.0,0.0,,0.0,0.0,,,,
Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)COc1ccccc1[N+](=O)[O-],CID1363485,,,,,,0.0,,,,,,,,,,,
COc1ncnc2c1oc1nc(C(C)C)c3c(c12)CC(C)(C)OC3,CID666266,,,,,,,,,,,,,0.0,0.0,,,
CCCc1nc2oc3c(OC)ncnc3c2c2c1COC(C)(C)C2,CID1956223,,,,,,,,,,,0.0,,,0.0,,,
CCOc1ncnc2c1oc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3,CID1845444,,,,,,0.0,,,,,,,,,,,
COc1ncnc2c1oc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3,CID2030331,,,,,,0.0,,,,,,,,,,,
CCCc1nc2oc3c(NCCOCCO)ncnc3c2c2c1COC(C)(C)C2,CID666643,,,0.0,,,,,,,,,,,,,,
COc1ccc(C2CCCN2C(=O)Nc2cccc(C(C)=O)c2)cc1OC,CID3238676,,,0.0,,0.0,,,,0.0,,,,,,,,
COc1ccc(C2CCCN2C(=O)Nc2ccccc2)cc1OC,CID4105415,,,,,,0.0,,,,,,,,,,,
COc1ccc(C2CCCN2C(=O)Nc2ccc(Cl)cc2)cc1OC,CID4105569,,,,,,0.0,,,,,,,,,,,
COc1ccc(C2CCCN2C(=O)Nc2ccc(F)cc2)cc1OC,CID4105570,,,,,,,,,,,0.0,,0.0,,,,
COc1ccc(C2CCCN2C(=O)Nc2ccc(C)c(C)c2)cc1OC,CID4105571,,,,,,0.0,,,,,,,,,,,
Cc1nnc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)s1,CID1292236,0.0,0.0,,,,,,,,0.0,,,,,,,
CCc1nnc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)s1,CID992061,0.0,0.0,,,0.0,,,,,0.0,,,,,,0.0,0.0
CCc1nnc(NC(=O)c2ccc(-c3ccccc3Cl)o2)s1,CID977381,,,,,,,,,,0.0,0.0,,,,0.0,,
CCc1nnc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)s1,CID879962,,,,,,,,,,0.0,,,,,,,
CCc1nnc(NC(=O)c2ccc(-c3ccccc3F)o2)s1,CID4376399,,,,,,,,,,,,,,0.0,,,
Cc1ccc[n+](-c2nc3ccccc3nc2C(=C=[N-])C#N)c1,CID2324077,,,,,,0.0,,,,,,,,,,,
Cc1cc(C)c[n+](-c2nc3ccccc3nc2C(=C=[N-])C#N)c1,CID2331540,,,,,,0.0,,,,,,0.0,,,,,
Cc1cc[n+](-c2nc3ccccc3nc2C(=C=[N-])C#N)cc1,CID2324075,,,,,,,,,0.0,,0.0,0.0,,,,,
N#CC(=C=[N-])c1nc2ccccc2nc1-[n+]1ccccc1,CID2309937,,,,,,,,,,,,0.0,,0.0,,,
CCc1cc[n+](-c2nc3ccccc3nc2C(=C=[N-])C#N)cc1,CID2312613,,,,,,,,,,,,0.0,,,,,
CCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1OC,CID663389,0.0,,,,,,,,,,,0.0,,,,,
C=CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1,CID659478,,0.0,,,,,,,0.0,,,,,,,,
CCC(C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1OC,CID664445,,,,,,0.0,,,,,,0.0,,,,,
COc1ccccc1Cn1c2nc3ccccc3nc2c2c(=O)n(CC(C)C)cnc21,CID661989,0.0,,,,,,,,,,,,,,,,
CCC(C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(OC)cc1,CID4533035,,,,,,,,,,,,,,0.0,,,
CC(C)CC(=O)NC1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccco1,CID663382,,,,,,,,,0.0,,,,,,,,0.0
CC(C)(C)C(=O)NC1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccco1,CID663150,0.0,,,,,,,,,,,,,,,,0.0
CC(=O)NC1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccco1,CID2966907,,,,,,,,,0.0,,,,,,,,
CCCCC(=O)NC1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccco1,CID3237851,0.0,,,,,,0.0,,,,,,,,,,
CCC(=O)NC1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccco1,CID663137,,,,,,,0.0,,0.0,,,,,,,,
CCOC(=O)Cn1c(-c2nonc2NC(=O)c2ccccc2F)nc2ccccc21,CID1043575,,,,,,,,,,,,,,,0.0,,
CCCCn1c(-c2nonc2NC(=O)c2ccccc2Cl)nc2ccccc21,CID3239208,0.0,,,0.0,,,0.0,,,,0.0,,,,,,
N#CCCn1c(-c2nonc2NC(=O)c2ccccc2Cl)nc2ccccc21,CID649534,0.0,0.0,0.0,,,,0.0,,,,,,,,,,
CCn1c(-c2nonc2NC(=O)c2ccccc2)nc2ccccc21,CID1265320,,,,,,0.0,,,,,,,,,,,
Cn1c(-c2nonc2NC(=O)c2ccc(C(C)(C)C)cc2)nc2ccccc21,CID654846,0.0,0.0,0.0,,,,,0.0,,,,,,,,,
COc1ccccc1N1CCN(C(=O)CCCC2=NS(=O)(=O)c3ccccc3N2)CC1,CID3332422,0.0,0.0,,,0.0,,,,,,,,,,,,
O=C(CCCC1=NS(=O)(=O)c2ccccc2N1)N1CCN(c2ccccc2)CC1,CID3242686,0.0,,,,0.0,,,,,,,,,,,,0.0
CC(C)(CC(=O)N1CCN(c2ccc(Cl)cc2)CC1)CC1=NS(=O)(=O)c2ccccc2N1,CID3242845,1.0,,,,0.0,0.0,,,,,,,,,,,
O=C(CCCC1=NS(=O)(=O)c2ccccc2N1)N1CCN(c2ccc(Cl)cc2)CC1,CID4337118,0.0,,0.0,,0.0,,0.0,,,,0.0,,,,,,
COc1ccc(N2CCN(C(=O)CCCC3=NS(=O)(=O)c4ccccc4N3)CC2)cc1,CID3241482,0.0,,0.0,,0.0,,0.0,0.0,,,0.0,,,,,,0.0
Cc1ccccc1Cn1c(=O)c2c(nc3n2CCN3Cc2ccco2)n(C)c1=O,CID3241915,0.0,,,,,,,,,,,,,,,,0.0
Cc1cccc(Cn2c(=O)c3c(nc4n3CCN4Cc3ccco3)n(C)c2=O)c1,CID3245905,,,,,,,,0.0,,,0.0,,,,,,
Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2c1nc1n2CCN1Cc1ccco1,CID3241171,0.0,,,,,0.0,,,,,,,,,,,
Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCN4Cc3ccco3)n(C)c2=O)c1,CID3245149,0.0,,0.0,0.0,,,,,,,,,,,,,
Cc1ccc(Cn2c(=O)c3c(nc4n3CCN4Cc3ccco3)n(C)c2=O)cc1,CID3242440,0.0,,,,,,0.0,0.0,,,,,,,,,
O=c1cc(-c2ccc(Cl)c(Cl)c2)[nH][nH]1,CID598633,,,,,,,,,,,,,,,,0.0,
COc1ccc(-c2cc(=O)[nH][nH]2)cc1,CID815408,,,,,,,,,,,,0.0,,,,,
O=c1cc(-c2ccc(Cl)cc2)[nH][nH]1,CID606590,0.0,,,0.0,,,0.0,,,0.0,,,,,,0.0,
Cc1ccc(-c2cc(=O)[nH][nH]2)c(C)c1,CID604735,,,,,,,,,,0.0,,,,,,,
CCOc1cccc(-c2cc(=O)[nH][nH]2)c1,CID1260077,,,0.0,0.0,,,0.0,,0.0,,,0.0,,,,,
Cn1c2ccccc2c2ncn(CCN3CCOCC3)c(=O)c21,CID666735,,0.0,,,,0.0,,0.0,0.0,,,0.0,0.0,,,,
O=c1c2[nH]c3ccc(F)cc3c2ncn1CCN1CCOCC1,CID659355,,0.0,,0.0,,0.0,,,,,,,,,,,
Cc1ccc2[nH]c3c(=O)n(CCN4CCOCC4)cnc3c2c1,CID3571586,,,,,,,,,,,0.0,,,,,,
O=c1c2[nH]c3ccccc3c2ncn1CCN1CCOCC1,CID658663,,,,0.0,,,0.0,,,,,,0.0,,0.0,,
Cn1c2ccc(F)cc2c2ncn(CCN3CCOCC3)c(=O)c21,CID666142,,,,,,,,0.0,,0.0,,,0.0,,,,
S=c1[nH]nc(COc2ccccc2)n1C1CCCCC1,CID879174,0.0,0.0,,0.0,0.0,,0.0,,,,,,,,,0.0,
S=c1[nH]nc(COc2ccc(Cl)cc2)n1C1CCCCC1,CID764372,,,,,,,,,,0.0,0.0,,,,,,
Cc1ccc(OCc2n[nH]c(=S)n2C2CCCCC2)cc1,CID769951,,,,,,,,,,,0.0,,,0.0,,,
Cc1cc(Cl)ccc1OCc1n[nH]c(=S)n1C1CCCCC1,CID2383099,,,,,,,,,,,0.0,0.0,,,0.0,,
Cc1cccc(OCc2n[nH]c(=S)n2C2CCCCC2)c1,CID668741,,,,,,,,,,,,,,0.0,,,
CC(C)n1c(N2CCN(C(=O)Nc3ccc(F)cc3F)CC2)nc2ccccc21,CID1462271,,,,,,,,,,0.0,,,,,,,
CCn1c(N2CCN(C(=O)Nc3ccc(F)cc3)CC2)nc2ccccc21,CID1462226,,,,,,,,,,,0.0,0.0,,,,,
Cn1c(N2CCN(C(=O)Nc3ccc(F)cc3)CC2)nc2ccccc21,CID1462171,,,,,,,,,,,,0.0,,,,,
Cn1c(N2CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)nc2ccccc21,CID651763,0.0,,,,0.0,,,,,,,,,0.0,,,
CC(C)n1c(N2CCN(C(=O)Nc3ccccc3)CC2)nc2ccccc21,CID1462267,,,,,,0.0,,,,,,,,,,,
O=c1cc(N2CCc3ccccc3C2)[nH]c(=O)n1-c1ccc(Cl)cc1,CID3240188,0.0,,,0.0,,,,,,,,,,,,0.0,
Cc1ccccc1-n1c(=O)cc(N2CCc3ccccc3C2)[nH]c1=O,CID3243102,,,,,0.0,,,,,,,,,,,,
Cc1ccc(-n2c(=O)cc(N3CCc4ccccc4C3)[nH]c2=O)cc1,CID3235629,,0.0,0.0,,0.0,,,,,0.0,0.0,,,,,,
O=c1cc(N2CCc3ccccc3C2)[nH]c(=O)n1-c1ccccc1Cl,CID6619858,,,,,,,,,,,0.0,,,,,,
O=c1cc(N2CCc3ccccc3C2)[nH]c(=O)n1-c1ccc(Br)cc1,CID3236216,,,,,,,0.0,,,,,,,,,0.0,0.0
Cc1ccc(OCC(=O)Sc2ccc(C)cc2)cc1,CID799745,,,,,,,,,,0.0,,,,0.0,,,
COc1ccc(OCC(=O)Sc2ccc(C)cc2)cc1,CID797378,,,,,,,,,,,,,,0.0,,,
Cc1ccc(SC(=O)COc2ccccc2C)cc1,CID800081,,,,,,,,,,0.0,,,,0.0,,,
Cc1ccc(SC(=O)COc2ccc(C)c(C)c2)cc1,CID888984,,,,,,0.0,,,,,,,,0.0,,,
COc1ccccc1OCC(=O)Sc1ccc(C)cc1,CID800400,,,,,,,0.0,,,0.0,,,0.0,0.0,,,
COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)c1,CID1093361,,,,,0.0,,,,,0.0,0.0,,,,,0.0,
COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)cc1C,CID1264393,,,,,,,,,,,0.0,0.0,,,,,
COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)cc1OC,CID2920903,,,,0.0,0.0,,,,,,0.0,,,,,0.0,
COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)cc1,CID1081773,,,0.0,,0.0,,,,,0.0,,,,,,,
COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)cc1Cl,CID1093376,,,,,,,,,,,,0.0,,,,,
CCNc1nc(NCC)nc(-n2nc(C)cc2C)n1,CID785953,,,,0.0,,,,,,,,,,,,,
Cc1cc(C)n(-c2nc(NC(C)C)nc(NC(C)C)n2)n1,CID655127,,0.0,,0.0,,,,,,,,,,,0.0,,
Cc1cc(C)n(-c2nc(N(C)C)nc(N(C)C)n2)n1,CID767998,,,,,,,,,,,,0.0,,,,,
CNc1nc(C)nc(-n2nc(C)cc2C)n1,CID877188,,0.0,,,,,,,,0.0,,0.0,,,,,
Cc1cc(C)n(-c2nc(C)nc(N)n2)n1,CID785951,,,0.0,,,,0.0,,,,,,,,,,
CCCCn1c2nc3ccccc3nc2c2c(=O)n(C(C)CC)cnc21,CID663637,,,,,,,,,,,,,0.0,,,,
CCCCn1c2nc3ccccc3nc2c2c(=O)n(CCC(C)C)cnc21,CID663965,,,,,,0.0,,,,0.0,,,,,,,
CCCCn1c2nc3ccccc3nc2c2c(=O)n(CCC)cnc21,CID664389,,,0.0,0.0,,,,,,,,,0.0,,0.0,,
CCCCn1c2nc3ccccc3nc2c2c(=O)n(CC(C)C)cnc21,CID661854,,,,0.0,,,,0.0,,0.0,,,,,,,
CCCCCn1c2nc3ccccc3nc2c2c(=O)n(CC(C)C)cnc21,CID661774,,,0.0,,,,,,,,,,,,,,
O=C(O)c1cccc(CN2C(=O)SC(Nc3ccccc3)C2=O)c1,CID660972,,0.0,0.0,0.0,,,0.0,0.0,0.0,,0.0,,0.0,,,,
Cc1ccc(N(CC(N)=O)C2SC(=O)N(Cc3ccccc3)C2=O)cc1,CID652001,,0.0,0.0,,,,,,,,0.0,,,,,,
Cc1ccc(NC2SC(=O)N(Cc3cccc(C(=O)O)c3)C2=O)cc1,CID660399,0.0,0.0,,,,,,,,,,,0.0,0.0,,0.0,
Cc1ccc(N(CC(N)=O)C2SC(=O)N(Cc3cccc(C(=O)O)c3)C2=O)cc1,CID3333952,,,,,,,,,,,,,,,0.0,,
NC(=O)CN(c1ccccc1)C1SC(=O)N(Cc2ccccc2)C1=O,CID653164,,,0.0,0.0,0.0,,,,,,0.0,,,,,,
COc1cccc(C(=O)Nc2ccc3c(c2)C(=O)N(CCC(=O)O)C3=O)c1,CID2233278,,,,,,,,,,,,,,,0.0,,
CN1C(=O)c2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2C1=O,CID2200704,,,,,,,,,0.0,,,,,,,,0.0
CC(C)CN1C(=O)c2ccc(NC(=O)c3ccccc3F)cc2C1=O,CID2232250,,,,,,,,,,,0.0,0.0,,,,,
COc1cc(C(=O)Nc2ccc3c(c2)C(=O)N(CCC(=O)O)C3=O)cc(OC)c1OC,CID2221587,,,0.0,,,,,0.0,,,,,,,0.0,,
CC(=O)Oc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(CCC(=O)O)C3=O)cc1,CID1318257,,,,,,,,,,,,,,,0.0,,
O=C(c1ccccc1-c1nc(-c2ccc(F)cc2)no1)N1CCCC1,CID665579,,,,,,,,,,,,,,,,,0.0
Cc1ccc(-c2noc(-c3ccccc3C(=O)N3CCCC3)n2)cc1,CID665852,0.0,0.0,0.0,0.0,,0.0,0.0,0.0,,0.0,,,,0.0,,,
O=C(c1ccccc1-c1nc(-c2ccc(Cl)cc2)no1)N1CCCC1,CID1250965,0.0,0.0,,,0.0,,,,,,,,0.0,0.0,,0.0,
Cc1ccccc1-c1noc(-c2ccccc2C(=O)N2CCCC2)n1,CID665512,0.0,0.0,,,,0.0,,0.0,,0.0,,,,0.0,,,
O=C(c1ccccc1-c1nc(-c2ccccc2)no1)N1CCCC1,CID665477,0.0,,0.0,0.0,,,,,,,,,,,,,
O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cc(-c2cccs2)on1,CID3238351,0.0,,,,0.0,,0.0,,,,,,,,,,
Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1cc(-c2cccs2)on1,CID3239898,0.0,,,,0.0,,,0.0,,,,,0.0,,,0.0,
Cc1ccccc1Cn1nc(C)c(NC(=O)c2cc(-c3cccs3)on2)c1C,CID3245494,0.0,,0.0,,0.0,0.0,,,,,,,,,,0.0,
O=C(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)c1cc(-c2cccs2)on1,CID3238148,0.0,,,0.0,0.0,,,,,,,0.0,,,,,
Cc1ccccc1Cn1cc(NC(=O)c2cc(-c3cccs3)on2)cn1,CID3239053,0.0,,0.0,,,0.0,,0.0,,,,,,,,0.0,0.0
O=C(NCc1cccs1)c1cc(-c2cccc(Cl)c2)on1,CID3238357,0.0,0.0,0.0,,0.0,0.0,,,,0.0,,,,,,,0.0
O=C(NCc1cccs1)c1cc(-c2ccccc2)on1,CID973872,0.0,0.0,0.0,0.0,0.0,,0.0,,,,0.0,,0.0,,,,
Cc1ccc(-c2cc(C(=O)NCc3cccs3)no2)cc1,CID1093788,0.0,,0.0,,0.0,,,0.0,,,0.0,,,,,,
COc1ccccc1-c1cc(C(=O)NCc2cccs2)no1,CID3243201,0.0,0.0,,0.0,0.0,,,0.0,0.0,,,,,,,,
COc1ccc(OC)c(-c2cc(C(=O)NCc3cccs3)no2)c1,CID3244435,0.0,0.0,0.0,,0.0,,,0.0,,,,,,,,,
Cc1cccc(NC(=O)CSc2nnc(NC(=O)CN3CCOCC3)s2)c1,CID1239155,,0.0,,,,0.0,,,0.0,,,0.0,,,,0.0,
CC(=O)c1ccc(NC(=O)CSc2nnc(NC(=O)CN3CCOCC3)s2)cc1,CID2875538,,,,,,,0.0,,0.0,,,,,0.0,,0.0,0.0
O=C(CSc1nnc(NC(=O)CN2CCOCC2)s1)Nc1ccccc1,CID1271291,,,,,,,,,0.0,,,,0.0,,,0.0,
Cc1ccc(NC(=O)CSc2nnc(NC(=O)CN3CCOCC3)s2)cc1,CID661269,,0.0,,,,,,,,,,0.0,,,,0.0,0.0
Cc1cccc(C)c1NC(=O)CSc1nnc(NC(=O)CN2CCOCC2)s1,CID1036241,,,,,,0.0,,,0.0,0.0,,0.0,,,,,
O=C(NCC1CCCO1)c1ccccc1-c1nc(-c2ccccc2)no1,CID665612,0.0,,,0.0,,0.0,,,0.0,,0.0,0.0,0.0,,,,
O=C(NCC1CCCO1)c1ccccc1-c1nc(-c2ccc(Cl)cc2)no1,CID2973134,0.0,,,,0.0,,,,,,,,,,,0.0,
O=C(NCC1CCCO1)c1ccccc1-c1nc(-c2ccc(F)cc2)no1,CID665439,,,0.0,0.0,,,,,,,,0.0,,,0.0,,
Cc1cccc(-c2noc(-c3ccccc3C(=O)NCC3CCCO3)n2)c1,CID665465,0.0,,,,,,0.0,,0.0,,0.0,0.0,0.0,,,,
Cc1ccc(-c2noc(-c3ccccc3C(=O)NCC3CCCO3)n2)cc1,CID665413,0.0,,,,,,0.0,,0.0,,,0.0,0.0,,,,
Cc1cccc(NC(=O)CCn2nc(C)cc2C)c1,CID3236386,,0.0,,0.0,,,,,,,,,0.0,,0.0,,
COc1ccc(NC(=O)CCn2nc(C)cc2C)cc1,CID3245018,,0.0,,,,,0.0,,,,,,,,,0.0,
Cc1ccc(NC(=O)CCn2nc(C)cc2C)c(C)c1,CID3244387,,,,,,,,,,,,,,,,0.0,0.0
Cc1ccc(C)c(NC(=O)CCn2nc(C)cc2C)c1,CID3240187,,,,,,,,,,,,,,,0.0,,0.0
Cc1ccc(NC(=O)CCn2nc(C)cc2C)cc1,CID9550893,,,,,,,,,,,,0.0,,,,,
CCn1cnc2cc(NS(=O)(=O)c3ccc(C)cc3)ccc21,CID777772,,,,,,,,,,,,0.0,,,0.0,,
CC(C)(C)n1cnc2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc21,CID660929,,,,,,,0.0,,0.0,,0.0,0.0,,,,,0.0
Cn1cnc2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc21,CID1306441,,,,,,,,,0.0,,0.0,,,,,0.0,
CC(C)(C)n1cnc2cc(NS(=O)(=O)c3ccccc3)ccc21,CID948774,,,,,,,0.0,,,,0.0,,,,0.0,,0.0
Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)ncn3C(C)(C)C)cc1,CID764449,,0.0,,,,,0.0,0.0,,,,,0.0,,,,0.0
O=c1nc(SCc2ccccc2)[nH]nc1-c1ccccc1,CID717999,,,,,,,,,,,,,,0.0,,,
Cc1ccc(CSc2nc(=O)c(-c3ccccc3N)n[nH]2)cc1,CID891377,,,,,,,,,,0.0,0.0,,,,,,
CC(=O)Nc1ccccc1-c1n[nH]c(SCc2ccccc2Cl)nc1=O,CID2199756,,,,,,,,,,,,0.0,,,,,
Nc1ccccc1-c1n[nH]c(SCc2ccccc2F)nc1=O,CID888315,0.0,0.0,,0.0,,,,,,0.0,,,,,,,
Nc1ccccc1-c1n[nH]c(SCc2ccccc2Cl)nc1=O,CID887474,,,,,,,,,,,0.0,,,,,,
Cc1ccc(NC(=O)CCNS(=O)(=O)c2cccc3nonc23)cc1,CID3244115,,,,,,,,,,,,,,,,0.0,
CC(C)c1ccc(NC(=O)CCNS(=O)(=O)c2cccc3nonc23)cc1,CID3236426,,,0.0,,,,,0.0,,,0.0,,,,,0.0,0.0
COC(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2cccc3nonc23)cc1,CID3236957,,,,,,,,,0.0,,,,0.0,,,,0.0
CC(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2cccc3nonc23)cc1,CID3239240,,,,,,,0.0,,0.0,,,,,,,,0.0
CCc1ccc(NC(=O)CCNS(=O)(=O)c2cccc3nonc23)cc1,CID3239795,,,,,,,,,,,,,,,,,0.0
CCN(CC(=O)NC(C)(C)C)C(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O,CID2551511,,,,,,,,,,,,,,,0.0,,
CCC(C)(C)NC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O,CID2443473,,,,,,,,,,,,,,,0.0,,
COC(=O)CNC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O,CID2336012,,,,,0.0,,,0.0,,,,,,,,,
CCNC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O,CID2573157,,,0.0,,,,,0.0,0.0,,,,,,,0.0,0.0
CC(C)NC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O,CID2335414,,,,,,,,,0.0,,,,,,,,
N#Cc1nc(-c2ccccc2Cl)oc1NCc1ccco1,CID892477,0.0,0.0,0.0,,,,0.0,,,0.0,,,0.0,0.0,,,0.0
N#Cc1nc(-c2ccccc2)oc1NCc1ccco1,CID701008,,,,,,,,,,,0.0,,,,0.0,,
Cc1ccc(-c2nc(C#N)c(NCc3ccco3)o2)cc1,CID655905,0.0,0.0,,,,,,0.0,,,,,,,0.0,,
N#Cc1nc(-c2ccc(Cl)cc2)oc1NCc1ccco1,CID741269,0.0,,0.0,0.0,,,0.0,,,,,,,,,0.0,
Cc1ccccc1-c1nc(C#N)c(NCc2ccco2)o1,CID892433,,,,,,,,,,,,,,,0.0,,
COc1cc2cc(CN(CCN3CCOCC3)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2cc1OC,CID3194875,,,,,,,,,,,,,,0.0,,,
Cc1ccc2[nH]c(=O)c(CN(CCN3CCOCC3)C(=O)Nc3ccccc3F)cc2c1,CID654401,,0.0,,,,,,,,,,,,,,,0.0
Cc1cccc2cc(CN(CCN3CCOCC3)C(=O)Nc3ccccc3F)c(=O)[nH]c12,CID648009,,,0.0,,,,,0.0,,,,,0.0,,,,
Cc1cc2cc(CN(CCN3CCOCC3)C(=O)Nc3ccccc3F)c(=O)[nH]c2cc1C,CID654681,,,0.0,,,,,0.0,,,,,,,,,0.0
Cc1ccc2[nH]c(=O)c(CN(CCN3CCOCC3)C(=O)Nc3ccc(F)cc3)cc2c1,CID648383,,,,,,,,0.0,,,,0.0,,,,,0.0
Cn1c(CSCc2ccc(F)cc2)nnc1SCC(=O)Nc1nccs1,CID2210231,,,,0.0,0.0,,,,0.0,,,0.0,,,,0.0,
Cn1c(CSCc2ccc(Cl)c(Cl)c2)nnc1SCC(=O)Nc1nccs1,CID1798597,,,,,0.0,,,,0.0,,,,,,,,
Cn1c(CSCc2ccccc2)nnc1SCC(=O)Nc1nccs1,CID1798618,,,,,,,,,0.0,,,0.0,,,,,
Cn1c(CSCc2ccc(Cl)cc2)nnc1SCC(=O)Nc1nccs1,CID1798612,,,,,,,,,,,,,,0.0,,,
Cn1c(CSCc2ccccc2Cl)nnc1SCC(=O)Nc1nccs1,CID2236822,,,,,0.0,,,,0.0,,,,,0.0,,0.0,
COc1ccc(C)cc1-n1c(-c2ccncc2)n[nH]c1=S,CID970083,0.0,0.0,0.0,0.0,0.0,,0.0,,,0.0,0.0,,,,,0.0,0.0
Cc1ccccc1-n1c(-c2ccncc2)n[nH]c1=S,CID969943,,,0.0,0.0,,,,,,,0.0,,,,,0.0,
CCc1ccccc1-n1c(-c2ccncc2)n[nH]c1=S,CID971979,0.0,,,0.0,,,0.0,,,,,,,,,0.0,
Cc1ccc(-n2c(-c3ccncc3)n[nH]c2=S)cc1C,CID951867,,,,,,,,,,,,,,0.0,,,
Cc1cccc(-n2c(-c3ccncc3)n[nH]c2=S)c1,CID838350,,,,,,,,,,0.0,,,,,,,
COc1cccc(N2CC(=O)C(c3nc(=O)c4ccccc4[nH]3)=C2N)c1,CID647423,,0.0,0.0,,,,,,,,,,,,,,
CCc1ccc(N2CC(=O)C(c3nc(=O)c4ccccc4[nH]3)=C2N)cc1,CID728146,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1ccc(N2CC(=O)C(c3nc(=O)c4ccccc4[nH]3)=C2N)cc1,CID660042,,,,,,,,0.0,,,,,,,,0.0,
Cc1cc(C)cc(N2CC(=O)C(c3nc(=O)c4ccccc4[nH]3)=C2N)c1,CID729242,,,,,,,,,,,,,,,0.0,,
COc1ccccc1N1CC(=O)C(c2nc(=O)c3ccccc3[nH]2)=C1N,CID649883,0.0,,,,,,0.0,0.0,,,0.0,,,,,,
COc1cc(CN2CC3CC(C2)c2cccc(=O)n2C3)cc(OC)c1OC,CID2857324,,0.0,,,,,,0.0,,0.0,,,,,,,
Cc1ccc(CN2CC3CC(C2)c2cccc(=O)n2C3)cc1,CID2857352,,,,,,,,,0.0,0.0,0.0,,,,,,
COc1ccc(CN2CC3CC(C2)c2cccc(=O)n2C3)cc1OC,CID2857416,,,0.0,,,,,,,0.0,,,,,,,0.0
O=c1cccc2n1CC1CC2CN(Cc2cccc(Cl)c2Cl)C1,CID2857421,,,,,,,,,,0.0,,,,,,,
O=c1cccc2n1CC1CC2CN(Cc2c(F)cccc2Cl)C1,CID2857310,0.0,,,0.0,,,0.0,,,,,,,,,,0.0
Cc1ccc(C(=O)COC(=O)c2cc(Cl)nc3ccccc23)cc1C,CID1217068,,,,,,0.0,,,,,,,,0.0,,,
Cc1ccc2nc(C)cc(C(=O)OCC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2c1,CID1336836,,,,,,,,,,,,0.0,,,,,
Cc1cc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)c2cccc(C)c2n1,CID1336864,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C)c(C(=O)COC(=O)c2cc(Cl)nc3ccccc23)c1,CID1980705,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C(=O)COC(=O)c2cc(Cl)nc3ccccc23)cc1,CID902601,,,,,,,,,,,,,,0.0,,,
CC(=O)NCC(=O)NC(C(=O)Nc1ccc2c(c1)OCCO2)c1ccc(C)cc1,CID3241528,0.0,,0.0,0.0,,,,0.0,,0.0,,,,,,,
O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)OCCO2,CID888322,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(C(=O)Nc2ccc3c(c2)OCCO3)N(C)C(=O)CNC(C)=O)cc1,CID3240151,,,0.0,,,,,,,,,,,,,,
COc1ccc(C(NC(=O)CNC(C)=O)C(=O)Nc2ccc3c(c2)OCCO3)cc1,CID3239640,,,,,,,,,0.0,,,,0.0,,,,
CC(=O)NCC(=O)NC(C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1,CID3243663,,,,,,,,,,,0.0,,,,0.0,,
CCCNS(=O)(=O)c1cccc(C(=O)NC2CCCc3ccccc32)c1,CID4883297,,,,,,,,,,,,,,0.0,,,
N#Cc1ccc(C(=O)NC2CCCc3ccccc32)cc1,CID3887752,,,,,,,,,,,,,,,0.0,,
CN(C)S(=O)(=O)c1cccc(C(=O)NC2CCCc3ccccc32)c1,CID5225717,,,,,,0.0,,,,,,,,,,,
CN(C)S(=O)(=O)c1ccc(C(=O)NC2CCCc3ccccc32)cc1,CID3319847,,,,,,,,,,,,,,,0.0,,
O=C(NC1CCCc2ccccc21)c1ccccc1Br,CID11958392,,,,,,,,,,,,,,0.0,,,
COc1ccc(OC)c(-c2nnc(SCC(=O)NC3CCCCC3)o2)c1,CID2155851,0.0,0.0,,,0.0,,,0.0,,,,,,,,0.0,0.0
O=C(CSc1nnc(-c2ccccc2)o1)NC1CCCCC1,CID697199,,0.0,,,0.0,,0.0,,,,,,,0.0,,0.0,
COc1ccccc1-c1nnc(SCC(=O)NC2CCCCC2)o1,CID2155708,0.0,,,,0.0,,0.0,0.0,,,,,0.0,0.0,,0.0,
Cc1ccccc1-c1nnc(SCC(=O)NC2CCCCC2)o1,CID648780,,0.0,0.0,,0.0,,0.0,,0.0,,0.0,,,,,0.0,
COc1ccc(-c2nnc(SCC(=O)NC3CCCCC3)o2)cc1OC,CID1164111,0.0,0.0,0.0,,0.0,,,0.0,,,0.0,,0.0,,,,0.0
CC(CC(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1,CID2948413,,,,,,,,,,,0.0,,,,,,
CC(C)CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc3c(c2)OCCO3)cc1,CID2200933,,,,,,0.0,,,,,,,,,,,
O=C(CCc1ccccc1)Nc1ccc2c(c1)OCCO2,CID873732,,,,,,0.0,,,,,0.0,,,,,,
O=C(CCc1ccccc1)Nc1cc2c(cc1Cl)OCCO2,CID852879,,,,,,,,,,,,,,0.0,,,
COc1ccc(CCC(=O)Nc2ccc3c(c2)OCCO3)cc1,CID874557,,,,,,,0.0,,,,0.0,0.0,,,,0.0,0.0
Cc1ccc(NC(=O)N(C2CCCCC2)C(C)c2cccnc2)cc1C,CID5169275,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(NC(=O)N(C2CCCCC2)C(C)c2cccnc2)cc1,CID5169272,,,,,,0.0,,,,,,,,,,,
CC(c1cccnc1)N(C(=O)Nc1ccccc1)C1CCCCC1,CID5083420,0.0,0.0,,,,0.0,,0.0,0.0,,,,,,,,
CCc1ccc(NC(=O)N(C2CCCCC2)C(C)c2cccnc2)cc1,CID5169271,,,,,,,,,,0.0,,,,,,,
COc1ccc(NC(=O)N(C2CCCCC2)C(C)c2cccnc2)c(OC)c1,CID3236133,0.0,,0.0,,0.0,,,0.0,,,,0.0,,,,,
CCOc1ccc(N2C(=O)c3cccnc3C2Nc2ccc(Cl)cc2)cc1,CID3236480,,,,,0.0,,0.0,,,,,,,,,0.0,0.0
CCOc1ccc(N2C(=O)c3cccnc3C2Nc2ccc(OC)cc2)cc1,CID3244217,0.0,,,,0.0,,,,,,,,0.0,,,,0.0
Cc1ccc(NC2c3ncccc3C(=O)N2c2ccccc2C)cc1C,CID3240143,0.0,0.0,0.0,,,0.0,,,,,,0.0,,0.0,,,0.0
CCOc1ccc(N2C(=O)c3cccnc3C2Nc2ccc(C)cc2)cc1,CID3244523,0.0,0.0,,0.0,0.0,,,,,,,,,,,,
CCOc1ccc(N2C(=O)c3cccnc3C2Nc2ccc(F)cc2)cc1,CID3238114,,,0.0,,,,,0.0,,,,,,,0.0,,
CCn1c(CNc2ccc(F)cc2)nnc1SCC(=O)OC1CCCCC1,CID651617,0.0,0.0,,,0.0,,,0.0,,0.0,0.0,,,,,,
CCn1c(CNc2ccccc2Cl)nnc1SCC(=O)OC1CCCCC1,CID652595,0.0,0.0,0.0,0.0,0.0,,,,,,,,,,,,
CCn1c(CNc2cccc(Cl)c2)nnc1SCC(=O)OC1CCCCC1,CID656069,0.0,,0.0,,0.0,,,,,,,0.0,,,,0.0,
Cn1c(CNc2cccc(Cl)c2)nnc1SCC(=O)OC1CCCCC1,CID652479,0.0,,,0.0,0.0,0.0,,,,,,0.0,0.0,0.0,0.0,,0.0
CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)OC1CCCCC1,CID1082178,,,,,,,,,,,,0.0,,,,,
COc1ccccc1N1CCN(C(=O)c2ccoc2C)CC1,CID660911,,,0.0,,,,0.0,,,,,,,,,,
Cc1occc1C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1,CID1246117,,,,,,,0.0,,,,,,,,,,
Cc1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c(C)o1,CID2608481,,0.0,0.0,0.0,,0.0,,,,,,,,,,0.0,0.0
CCOc1ccccc1N1CCN(C(=O)c2cc(C)oc2C)CC1,CID1245905,0.0,,0.0,,,,,,,0.0,,,,,,,
Cc1cc(C(=O)N2CCN(c3ccccc3)CC2)c(C)o1,CID2366104,,,,,,,,,,,,,,,0.0,,
Cc1ccc(OCC(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)c(C)c1,CID1026222,,,,,,,,,,,0.0,0.0,,0.0,,,
Cc1ccc(OCC(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1,CID1314628,0.0,,0.0,,,,,,,,,,,0.0,,,0.0
Cc1cccc(OCC(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)c1C,CID2193049,0.0,,0.0,,,,,0.0,,0.0,0.0,0.0,,,,0.0,
O=C(COc1ccccc1)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1,CID661003,0.0,,0.0,,,,,0.0,,,,,,,,,0.0
Cc1cccc(C)c1OCC(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1,CID661076,0.0,,0.0,,,0.0,,0.0,,,,,0.0,0.0,,,
O=[N+]([O-])c1cc(-c2cnc3ccccc3n2)ccc1Oc1ccc(F)cc1,CID1421238,,,,,,0.0,,,,,,,,,,,
N#Cc1ccc(Oc2ccc(-c3cnc4ccccc4n3)cc2)cc1C#N,CID676369,,,,,,,,,,,,,,,0.0,,
O=[N+]([O-])c1cc(-c2cnc3ccccc3n2)ccc1Oc1ccc(Br)cc1,CID1128709,,,,,,,,,,,,0.0,,0.0,,,
O=[N+]([O-])c1ccc(Oc2ccc(-c3cnc4ccccc4n3)cc2[N+](=O)[O-])cc1,CID1418622,,,,,,,,,,,,,,0.0,,,
N#Cc1cccc(Oc2ccc(-c3cnc4ccccc4n3)cc2)c1C#N,CID902588,,,,,,,,,,,,,,,0.0,,
CCCn1c(C(=O)c2ccccc2OC)nc2ccccc21,CID711826,,,,,,,,,,,,,,0.0,,,
Cn1c(C(=O)c2ccccc2[N+](=O)[O-])nc2ccccc21,CID712797,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)c2nc3ccccc3n2C(C)C)cc1,CID842418,,,,,,,,,,,,,,0.0,,,
Cn1c(C(=O)c2ccccc2)nc2ccccc21,CID677925,,,,,,0.0,,,,,,,,,,,
CCCn1c(C(=O)c2ccccc2)nc2ccccc21,CID1124050,,,,,,,,,,,,,,0.0,,,
COc1cc(C2NC(=O)NC(O)(C(F)(F)F)C2C(C)=O)cc(OC)c1OC,CID3240068,,,,,,,,,0.0,,,,,,,,0.0
CC(=O)C1C(c2ccc(F)c(F)c2)NC(=O)NC1(O)C(F)(F)F,CID3239347,,,,,,,,,0.0,,,,,,,,
CCOC(=O)C1C(c2ccccc2Cl)NC(=O)N(C)C1(O)C(F)(F)F,CID660006,,,,,,,,,,,,0.0,,,,,0.0
CC(=O)C1C(c2ccccc2OC(F)F)NC(=O)NC1(O)C(F)(F)F,CID3244072,,,,,,,,,,,,,,,,,0.0
CC(=O)C1C(c2ccc(Cl)cc2)NC(=O)NC1(O)C(F)(F)F,CID4109394,,,,,,,0.0,,,,,,,,,,
CN1CCN(C(=O)COc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)CC1,CID1092878,,,,,,,,,,0.0,0.0,,,,,,
Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)N1CCN(C)CC1,CID2227873,,,,,0.0,,0.0,,,,,,,,,,
CCN1CCN(C(=O)COc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)CC1,CID1092921,,,0.0,,0.0,,,0.0,,,,,,,,0.0,0.0
CN1CCN(C(=O)COc2ccc(S(=O)(=O)NCc3ccccc3)cc2Cl)CC1,CID1090662,,,,,,,,,,0.0,0.0,0.0,,,,,
CCOC(=O)N1CCN(C(=O)COc2ccc(S(=O)(=O)NCc3ccccc3)cc2)CC1,CID2949972,,,,,,0.0,,,,,,,,0.0,,,
COC(=O)c1oc2ccc(Br)cc2c1-n1cccc1,CID653443,0.0,,,,,,,,0.0,,,0.0,,,0.0,,0.0
O=C(O)c1oc2ccc(Br)cc2c1-n1cccc1,CID660489,0.0,,,,,,,,,,0.0,0.0,,,,,
O=C(O)c1oc2ccccc2c1-n1cccc1,CID614848,,,,0.0,,,,,,0.0,,,0.0,,,,
COC(=O)c1oc2ccccc2c1-n1cccc1,CID687116,,,,,,0.0,,,0.0,,0.0,,,,0.0,,
COC(=O)c1oc2ccc(Cl)cc2c1-n1cccc1,CID707278,,,,,,,,,,0.0,,,,,,,
COc1ccccc1OCc1ccc(C(=O)NCc2cccnc2)o1,CID717094,,,,,,,,,0.0,0.0,,,,0.0,0.0,,
CCOc1ccc(OCc2ccc(C(=O)NCc3cccnc3)o2)cc1,CID5210485,,,,,,0.0,,,,,,,,,,,
O=C(NCc1cccnc1)c1ccc(COc2ccccc2Br)o1,CID1269632,,,,,,,0.0,,0.0,,,0.0,,,0.0,0.0,0.0
CC(C)(C)c1ccc(OCc2ccc(C(=O)NCc3cccnc3)o2)cc1,CID1269682,,,,,,,,,,,,,,0.0,,,
CCCc1ccc(OCc2ccc(C(=O)NCc3cccnc3)o2)c(OC)c1,CID1091781,,,,,,,,,,,,,,0.0,,,
COc1ccc(CNC(=O)c2cnc3scc(C)n3c2=O)cc1,CID4148825,0.0,0.0,,,,,,0.0,,,,,,,,,
COc1ccccc1CNC(=O)c1cnc2sccn2c1=O,CID4114331,0.0,0.0,,,,,0.0,,,,,,0.0,,,,
O=C(NCc1ccc(F)cc1)c1cnc2sccn2c1=O,CID4181906,,,,0.0,,,,0.0,,,,,,,,,
Cc1csc2ncc(C(=O)NC(C)c3ccccc3)c(=O)n12,CID5204342,0.0,,,,,,,0.0,,,,,0.0,,,,
Cc1csc2ncc(C(=O)NCc3ccccc3Cl)c(=O)n12,CID4067113,0.0,0.0,,,0.0,,,,,,,,,,,,
CCOC(=O)C1=C(C)N=c2s/c(=C\c3sccc3C)c(=O)n2C1c1cc(OC)ccc1OC,CID5346023,,,,,,0.0,,,,,,,,,,,
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2C1c1ccc(F)cc1,CID5349458,,,,,,0.0,,,,,,,,,,,
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2C1c1cccc(OC)c1,CID5345631,,,,,,0.0,,,,,,,,,,,
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2C1c1ccc(OCC)cc1,CID5345582,,,,,,0.0,,,,,,,,,,,
COc1ccc(C2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cccs4)c(=O)n32)cc1,CID5348811,,,,,,0.0,,,,,,,,,,,
Cc1cc(C)cc(CSc2nc(=O)c(C)n[nH]2)c1,CID733747,,0.0,,0.0,,,0.0,,,0.0,,,0.0,,0.0,0.0,0.0
Cc1ccccc1CSc1nc(=O)c(C)n[nH]1,CID731919,,,,0.0,,,,,,0.0,,,0.0,,,0.0,0.0
Cc1n[nH]c(SCc2ccc(Cl)cc2Cl)nc1=O,CID716701,,,,0.0,,,,,,,,,,,,,0.0
Cc1ccc(C)c(CSc2nc(=O)c(C)n[nH]2)c1,CID7151223,,,,,,,,,,,,,,0.0,,,
Cc1cccc(CSc2nc(=O)cn[nH]2)c1,CID734737,,,,0.0,,,,,,0.0,0.0,,,,,,0.0
C/C(NCCCO)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O,CID5389649,,0.0,,,,,,,,,,,,,,0.0,
O=C1NC(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/NCCCO,CID5556646,,,,,,,,,,,,,,,0.0,,
CCN(CC)CCN/C=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O,CID5553229,,,,,,,,,,,,,,0.0,,,
CCN(CC)CCCN/C=C1\C(=O)NC(=O)N(Cc2ccc(F)cc2)C1=O,CID5389793,,,,,,0.0,,,,,,,0.0,,,,
O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C\NCCCO,CID5310868,,0.0,,0.0,,,0.0,,,,,,0.0,,,,
O=C(Nc1ccccc1F)c1cc(S(=O)(=O)N2CCCCC2)cs1,CID1310286,,,,,0.0,,0.0,,,,0.0,,0.0,0.0,,,
O=C(Nc1ccc(F)cc1)c1cc(S(=O)(=O)N2CCCCC2)cs1,CID1252955,,,0.0,,0.0,,0.0,,,,,,,0.0,,,
CC1CCN(S(=O)(=O)c2csc(C(=O)Nc3ccccc3)c2)CC1,CID1087723,,,,,,,,,0.0,0.0,,,,0.0,0.0,,
Cc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)cs1,CID1253185,,,,,,,,,0.0,,,,,0.0,,,
Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)cs2)cc1,CID1271305,,,,,,,,,0.0,,0.0,,,,0.0,,
O=C(Nc1ccccc1)NC1(C(=O)NCCCN2CCOCC2)CCCCC1,CID656311,0.0,,0.0,,,,,,,,,,,,,,0.0
Cc1cccc(C)c1NC(=O)NC1(C(=O)NCCCN2CCOCC2)CCCCC1,CID3230461,,,,,,,,,0.0,,,,,,,,
O=C(Nc1ccc(Cl)cc1)NC1(C(=O)NCCCN2CCOCC2)CCCCC1,CID646224,,,,,0.0,,,,,,,,,,,0.0,
O=C(Nc1ccccc1Cl)NC1(C(=O)NCCCN2CCOCC2)CCCCC1,CID652608,,,,,0.0,,,,,,,,,,,0.0,
Cc1ccccc1NC(=O)NC1(C(=O)NCCCN2CCOCC2)CCCCC1,CID3230447,,,,,,,,,0.0,,0.0,,,,,,
Cn1c(SCC(=O)Nc2cccc(O)c2)nnc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1,CID644674,,0.0,,0.0,,,,,,,,,,,,0.0,
Cc1ccc(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2C)cc1,CID654936,,0.0,,0.0,0.0,,,,,,,,,,,,0.0
Cn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1,CID653153,,,0.0,,0.0,,0.0,,,,,,,,,0.0,
CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1,CID655306,,,0.0,0.0,0.0,0.0,,,,,,0.0,,,,0.0,0.0
Cc1cccc(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2C)c1,CID649073,,0.0,,,0.0,0.0,,,,,,0.0,,0.0,,0.0,0.0
CC(Oc1ccc(Cl)cc1)c1ccn[nH]1,CID3454573,,,,,,,,,,,,,,0.0,,,
CC(Oc1ccc(Cl)cc1)c1ccnn1S(C)(=O)=O,CID2764693,,,,,,,,,,,,,,0.0,,,
CC(Oc1ccccc1)c1ccn[nH]1,CID4364910,,,,,,,,,,,,,,0.0,,,
CCNC(=O)n1nccc1C(C)Oc1ccccc1,CID2764678,,,,,,0.0,,,,,,,,,,,
CC(Oc1ccccc1)c1ccnn1S(C)(=O)=O,CID2764679,,,,,,,,,,,,0.0,,,,,
Cc1ccc2c(c1)NC(=O)C(CC(=O)NCc1ccc(F)cc1)O2,CID5308426,,,,,,,,0.0,,,,0.0,,0.0,,0.0,0.0
O=C(CC1Oc2ccccc2NC1=O)NCc1ccccc1,CID5308113,,,,0.0,,,,,,,,,,,,,
O=C(CC1Oc2ccccc2NC1=O)NCc1ccc(Cl)cc1,CID5309425,0.0,,0.0,0.0,,,0.0,,,,,,,,,,
CCN(Cc1ccccc1)C(=O)CC1Oc2ccccc2NC1=O,CID5308795,,,0.0,,,,,,,,0.0,,,,,,
Cc1ccc2c(c1)NC(=O)C(CC(=O)N(C)Cc1ccccc1)O2,CID5309188,,,,,,0.0,,,,,0.0,,,,,,
COc1ccc(OC)c(/C=N/NC(=O)CN2CCSCC2)c1,CID786140,,,,,,,,,,,,,,0.0,,,
O=C(CN1CCSCC1)N/N=C/c1ccc(F)c(F)c1,CID786007,,,,,,,,,,0.0,,0.0,,,,,
O=C(CN1CCSCC1)N/N=C/c1ccccc1F,CID791937,,,,,,,,,,,,,,,0.0,,
COc1ccc(/C=N/NC(=O)CN2CCSCC2)c(OC)c1,CID792173,,,,,,,,,,,,,,0.0,,,
O=C(CN1CCSCC1)N/N=C/c1ccc(F)cc1F,CID786215,,,,,,,,,,0.0,,,,,,,
COc1cccc(OCCCN2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)c1,CID2960001,,,,,,,,,,,0.0,,,,,,
COc1cc(C(C)=O)ccc1OCC(O)CN1CCN(S(=O)(=O)c2ccccc2)CC1,CID2946812,,,,,0.0,,,,,,0.0,,,,,,
CC(=O)Nc1ccc(OCC(O)CN2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)cc1,CID2981094,,,,,,,,,,,0.0,,,,,,
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(CCCOc3ccccc3Cl)CC2)cc1,CID2954170,,,,,,,,,0.0,,,,,,,,
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(CCCOc3cc(C)ccc3C)CC2)cc1,CID2959465,,,,0.0,0.0,,,,,,,,,,,,0.0
Cc1cccc(OCC(=O)O/N=C(\N)c2ccccn2)c1C,CID9549605,,,,,,0.0,,,,,,,,,,,
Cc1cccc(OCC(=O)O/N=C(\N)c2ccccn2)c1,CID3587928,,,,,,,,,,,0.0,,,,0.0,,
N/C(=N\OC(=O)COc1ccc(Br)cc1Cl)c1ccccn1,CID5351121,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)cc(OCC(=O)O/N=C(\N)c2ccccn2)c1,CID2259109,,,,,,,,,,0.0,,,,,,,
N/C(=N\OC(=O)COc1cc(Cl)c(Cl)cc1Cl)c1ccccn1,CID9587772,,,,,,,,,,,,,,0.0,,,
COc1cccc(C2/C(=C(/O)c3cnn(-c4ccccc4)c3C)C(=O)C(=O)N2CCN(C)C)c1,CID5389290,,,0.0,0.0,,,,,,,,,,,,,
COc1ccc(C2/C(=C(/O)c3cnn(-c4ccccc4)c3C)C(=O)C(=O)N2CCN(C)C)cc1OC,CID5389293,,,0.0,,,,0.0,,,,,,,,,,
COc1ccccc1C1/C(=C(/O)c2cnn(-c3ccccc3)c2C)C(=O)C(=O)N1CCN(C)C,CID5389314,,,,0.0,,,0.0,,,,,,,,,,
COc1ccc(OC)c(C2/C(=C(/O)c3cnn(-c4ccccc4)c3C)C(=O)C(=O)N2CCN(C)C)c1,CID5389296,,,0.0,,,,,,,,,,,,,,0.0
Cc1c(/C(O)=C2\C(=O)C(=O)N(CCCN(C)C)C2c2ccccc2)cnn1-c1ccccc1,CID5389294,,,0.0,,,,,,,,,,,0.0,,0.0,
CCOc1ccc(-c2nc(C#N)c(N3CCN(C)CC3)o2)cc1,CID892081,0.0,,,0.0,,,,,,,,,,,,,
CCCOc1ccc(-c2nc(C#N)c(N3CCN(C)CC3)o2)cc1,CID665011,0.0,,0.0,0.0,,0.0,,,,,0.0,,,,,,
CCN1CCN(c2oc(-c3ccc(OC)cc3)nc2C#N)CC1,CID891740,0.0,0.0,0.0,,,,0.0,0.0,,,,,,,,,
CCCOc1ccc(-c2nc(C#N)c(N3CCN(CC)CC3)o2)cc1,CID664629,0.0,0.0,,,,0.0,,,,0.0,0.0,,0.0,,,,
CCOc1ccc(-c2nc(C#N)c(N3CCN(CC)CC3)o2)cc1,CID661181,0.0,,,0.0,,,,0.0,,,,,,,,,
CC1CCN(c2ncnc3c2cnn3Cc2ccc(Cl)cc2)CC1,CID662023,0.0,,0.0,,,,,,,,,,,,,,
Clc1ccc(Cn2ncc3c(N4CCCCC4)ncnc32)cc1,CID830186,0.0,,0.0,,,,0.0,,,,,,,,,,0.0
CC1CC(C)CN(c2ncnc3c2cnn3Cc2ccc(Cl)cc2)C1,CID2944971,0.0,,,,,,0.0,,,,,,,0.0,,,
c1ccc(Cn2ncc3c(N4CCCCC4)ncnc32)cc1,CID801109,,,0.0,,,,,,,,,,,,,,
Clc1ccc(Cn2ncc3c(N4CCCCC4)ncnc32)c(Cl)c1,CID657895,0.0,,,,,,0.0,,,,,,,,,,
COc1ccc(-n2c3c(cc(C(=O)N4CCC(C)CC4)c2=O)C(=O)CC(C)(C)C3)cc1,CID3585388,0.0,,,,0.0,,,,,,0.0,,,,,,
CC1(C)CC(=O)c2cc(C(=O)N3CCCC(C)(C)C3)c(=O)n(-c3ccccc3)c2C1,CID659134,0.0,,0.0,,0.0,,,,0.0,,,,,,,,
COc1ccccc1-n1c2c(cc(C(=O)N3CCC(C)CC3)c1=O)C(=O)CC(C)(C)C2,CID4994082,0.0,,,,0.0,,,,,0.0,0.0,,,,,,
CC1(C)CC(=O)c2cc(C(=O)N3CCCCC3)c(=O)n(-c3ccc(Cl)cc3)c2C1,CID1288487,,,,,,,,,,,,,,,,0.0,
COc1ccc(-n2c3c(cc(C(=O)N4CCCCC4)c2=O)C(=O)CC(C)(C)C3)cc1,CID1307976,,,,,0.0,,0.0,0.0,,,,0.0,0.0,,,,
O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1cnc[nH]1,CID3245100,0.0,0.0,,,0.0,,,0.0,,,,,,,,,
CCOC(=O)c1ccc(NS(=O)(=O)c2cnc[nH]2)cc1,CID3237526,,0.0,,0.0,,,,,,0.0,,,0.0,,,0.0,
O=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1cnc[nH]1,CID3240350,0.0,0.0,,,0.0,,,,0.0,,,,,,,,
CCN(c1ccccc1)S(=O)(=O)c1cnc[nH]1,CID3237381,,0.0,,,,,,,,,,,,,,,0.0
CCOC(=O)c1cccc(NS(=O)(=O)c2cnc[nH]2)c1,CID3236652,,,,0.0,,,,,,,,,,,,0.0,0.0
CC(C)(CO)Nc1nc(N2CCCC2)nc(N2CCCC2)n1,CID769441,,,,,,,,,,,,,,,0.0,,
N#Cc1nc(N2CCCC2)nc(N2CCCC2)n1,CID714273,,0.0,,0.0,,,,,,,,,,,,,
CCCNc1nc(N2CCCC2)nc(N2CCCC2)n1,CID3158873,,,,,,,,,,,,,,,0.0,,
OCCNc1nc(N2CCCC2)nc(N2CCCC2)n1,CID2916857,,,,,,,,,,,,,,,0.0,,
C=CCOc1nc(N2CCCC2)nc(N2CCCC2)n1,CID3238055,,,0.0,,,,,,,,,,0.0,,,,
Fc1ccc(Oc2cnc3ccccc3n2)cc1,CID4363978,,,,,,,,,,,,,,,0.0,,
O=[N+]([O-])c1ccc(Oc2cnc3ccccc3n2)cc1,CID3714373,,,,,,,,,,,,,,,0.0,,
CC(=O)Nc1cccc(Oc2cnc3ccccc3n2)c1,CID1473208,,,,,,0.0,,,,,,,,0.0,,,
CC(=O)Nc1ccc(Oc2cnc3ccccc3n2)cc1,CID1473207,,,,,,,,,,,,,,,0.0,,
Clc1ccccc1Oc1cnc2ccccc2n1,CID4269635,,,,,,,,,,,,,,,0.0,,
CCc1nc(N2CCOCC2)c(C#N)c2c1COC(C)(C)C2,CID648571,,,,,,0.0,,,,,,,,0.0,,,
CC(C)c1nc(N2CCOCC2)c(C#N)c2c1COC(C)(C)C2,CID658231,,,0.0,,,,,,,,0.0,,,0.0,0.0,,
Cc1nc(N2CCOCC2)c(C#N)c2c1COC(C)(C)C2,CID657590,,,0.0,,,,,,,,,,,,,,
CC(C)Cc1nc(N2CCOCC2)c(C#N)c2c1COC(C)(C)C2,CID657441,,0.0,0.0,,,,,0.0,,0.0,0.0,,,,,,
CCCCc1nc(N2CCOCC2)c(C#N)c2c1COC(C)(C)C2,CID657785,,0.0,0.0,,,,0.0,,,,,0.0,,0.0,,,
Cc1ccc(N2CCn3c2nc2c3c(=O)n(CCc3ccccc3)c(=O)n2C)cc1,CID3238422,0.0,,0.0,0.0,,,,,,,,,0.0,,,,
Cn1c(=O)n(CCc2ccccc2)c(=O)c2c1nc1n2CCN1c1ccccc1,CID3243063,0.0,,,,,,,,,,,,0.0,,,,
COc1ccc(N2CCn3c2nc2c3c(=O)n(CCc3ccccc3)c(=O)n2C)c(OC)c1,CID666553,0.0,,,0.0,,,,,,,,0.0,,,,,
COc1ccc(N2CCn3c2nc2c3c(=O)n(CCc3ccccc3)c(=O)n2C)cc1,CID666610,0.0,,,,,,,0.0,,,,,,,,,
CCOc1ccc(N2CCn3c2nc2c3c(=O)n(CCc3ccccc3)c(=O)n2C)cc1,CID666469,0.0,,,,,,,,,0.0,,,0.0,,,,0.0
Cn1c(O)c(C(=O)Nc2ncccc2O)c(=O)c2ccccc21,CID654695,,,,,0.0,,,,,,,,0.0,,,,0.0
Cc1ccnc(NC(=O)c2c(O)n(C)c3ccccc3c2=O)c1,CID647281,0.0,0.0,,0.0,,,,,0.0,,,,0.0,,,,
Cc1ccc(NC(=O)c2c(O)n(C)c3ccccc3c2=O)nc1,CID649908,,0.0,0.0,,,,,,0.0,,,,,,,,
Cn1c(O)c(C(=O)Nc2ccccn2)c(=O)c2ccccc21,CID649896,,,,,,,,,0.0,,,0.0,0.0,,0.0,,
Cc1cccnc1NC(=O)c1c(O)n(C)c2ccccc2c1=O,CID748865,0.0,,,0.0,,,,,0.0,,,,,,,,
CC(=O)c1cccc(NC(=O)N2CCCc3ccccc32)c1,CID972087,,,,,0.0,,0.0,,,0.0,,0.0,0.0,0.0,,0.0,0.0
COc1ccc(NC(=O)N2CCCc3ccccc32)cc1,CID753388,,,,,0.0,,,0.0,,0.0,,,,,,0.0,
COc1ccccc1NC(=O)N1c2ccc(F)cc2CCC1C,CID2897839,,,,0.0,,,,,,,,,,,,,0.0
O=C(Nc1ccccc1)N1CCCc2ccccc21,CID619848,,,,,,,,,,,,0.0,,,,,
Cc1ccc2c(c1)N(C(=O)Nc1ccccc1)C(C)(C)CC2C,CID2879179,,,,,,0.0,,,,,,,,,,,
CCn1c(SCc2nc(-c3ccc(Cl)cc3)no2)nnc1-c1ccco1,CID3157246,,,,,,0.0,,,,,,,,,,,
Cn1c(SCc2nc(-c3ccc(Cl)cc3)no2)nnc1-c1ccco1,CID1007769,0.0,0.0,,0.0,0.0,0.0,,,,,,,,,,,
CCn1c(SCc2nc(-c3ccccc3)no2)nnc1-c1ccco1,CID1007774,,,,,,,,,,,0.0,,,,,,
Cn1c(SCc2nc(-c3ccc(Br)cc3)no2)nnc1-c1ccco1,CID1007770,,,,,,,,,0.0,,0.0,,,0.0,,,
Cn1c(SCc2nc(-c3ccccc3)no2)nnc1-c1ccco1,CID832347,,,,,,0.0,,,,,,,,,,,
Cc1cccc(NC(=O)Cn2cc(C(=O)c3ccco3)c3ccccc32)c1,CID3157242,,,,,,0.0,,,,0.0,0.0,0.0,,,,,
COc1ccc(NC(=O)Cn2cc(C(=O)c3ccco3)c3ccccc32)cc1,CID1091512,,,,,,0.0,,,0.0,,0.0,,,,,,
CCOc1ccc(NC(=O)Cn2cc(C(=O)c3ccco3)c3ccccc32)cc1,CID1260931,,,,,,,,,0.0,0.0,,0.0,,,0.0,,
COc1ccc(OC)c(NC(=O)Cn2cc(C(=O)c3ccco3)c3ccccc32)c1,CID1091520,0.0,,0.0,,,,,,0.0,0.0,,,,,,,
O=C(Cn1cc(C(=O)c2ccco2)c2ccccc21)Nc1ccccc1,CID955160,,,,,,,,,0.0,,,,,0.0,,,
CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1C,CID649221,0.0,0.0,,,0.0,,0.0,,0.0,0.0,,,,0.0,0.0,,0.0
CCSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1C,CID654172,0.0,0.0,,0.0,0.0,,,,0.0,0.0,0.0,,,0.0,0.0,0.0,
CCCCNC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1C,CID3226916,,,,,,,,,0.0,,,,,,,,
CC(C)CCNC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1C,CID3226918,,,,,,,,,0.0,,0.0,0.0,,,,,
COC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1C,CID1174135,,,,,,,,,,0.0,,,,,,,
O=C(Nc1cnc2ccccn2c1=O)c1ccc(F)cc1,CID763006,,,,0.0,,,,,,,,,,,,,0.0
Cc1ccc2ncc(NC(=O)c3ccc(F)cc3)c(=O)n2c1,CID802655,,,,,,0.0,,,,,,0.0,,,,,
O=C(Nc1cnc2ccccn2c1=O)c1ccc(Cl)cc1,CID2238613,,,,,,,,,,0.0,,,,0.0,0.0,,
COc1ccc(C(=O)Nc2cnc3ccccn3c2=O)cc1,CID2242340,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C(=O)Nc2cnc3ccccn3c2=O)cc1,CID2233906,,,,,,,,,0.0,,,,,,,,
O=C(N/N=C1\CCCc2ccccc21)c1cccc(Br)c1,CID678947,,,,,,,,,,,,,,,0.0,,
COc1cc2c(cc1C)/C(=N/NC(=O)c1cccc(F)c1)CCC2,CID759457,,,,,,0.0,,,,,,,,,,,
O=C(N/N=C1\CCCc2ccccc21)c1ccc([N+](=O)[O-])cc1Cl,CID1131983,,,,,,,,,,0.0,,,,,,,
O=C(N/N=C1\CCCc2ccccc21)c1ccccc1Cl,CID5216009,,,,,,,,,,,,,,,0.0,,
O=C(N/N=C1\CCCc2ccccc21)c1ccccc1[N+](=O)[O-],CID840550,,,,,,,,,,0.0,,,,,,,
Cc1ccc(-c2nc(N)n(C(=O)c3ccco3)n2)cc1,CID828552,,,,,,,,,,,,,,,0.0,,
COc1ccc(-c2nc(SC)n(C(=O)c3ccco3)n2)cc1,CID976556,,,,,0.0,,,,,,,,,0.0,,,
Nc1nc(-c2ccccc2)nn1C(=O)c1ccco1,CID828537,,,,,,,,,,,,,,,0.0,,
CSc1nc(-c2ccc(Cl)cc2)nn1C(=O)c1ccco1,CID828535,,,,,,,,,,,0.0,,,,,,
CSc1nc(-c2ccccc2)nn1C(=O)c1ccco1,CID828569,,,,,,,,,,,0.0,,,,0.0,,
CC1=C(C(=O)OC(C)C)C(C)C(C(=O)OC(C)C)=C(C)N1,CID830797,,,,,,0.0,,,,,,,0.0,,,0.0,
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)O,CID168683,,0.0,,,,,,0.0,,,,,,,,,
CCCC1C(C(=O)OCC)=C(C)NC(C)=C1C(=O)OCC,CID101991,,,,,,,,,,,,,0.0,,,0.0,
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1,CID70849,,,,,,,,0.0,,0.0,,,0.0,0.0,,0.0,
CSC1=C(C#N)C(CC(C)C)C(C(C)=O)=C(C)N1,CID657988,,,,,0.0,,,,,,,,0.0,,,,
O=C(CCC1N=C2c3ccccc3N=C(SCc3cccc(Cl)c3)N2C1=O)NCc1ccco1,CID3244688,0.0,,,,0.0,,,,,,,,0.0,,,0.0,
O=C(CCC1N=C2c3ccccc3N=C(SCc3ccc(F)cc3)N2C1=O)NCc1ccco1,CID3245810,0.0,0.0,,0.0,,,,,,,,,,,,,
Cc1ccc(CSC2=Nc3ccccc3C3=NC(CCC(=O)NCc4ccco4)C(=O)N23)cc1,CID3242713,0.0,,,,0.0,,,,,,,,0.0,,,0.0,
O=C(CCC1N=C2c3ccccc3N=C(SCc3ccc(Cl)cc3)N2C1=O)NCc1ccco1,CID3236401,0.0,,0.0,,0.0,,,,,,,0.0,0.0,,,,
O=C(CCC1N=C2c3ccccc3N=C(SCc3ccccc3Cl)N2C1=O)NCc1ccco1,CID3235847,0.0,,0.0,,0.0,,,,,,0.0,,0.0,,,,
CCOC(=O)Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O,CID2813774,0.0,0.0,,0.0,,,0.0,,,,,,,,,,
COC(=O)Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O,CID3243637,0.0,,,,,,0.0,,,,,,,,0.0,,
CCOC(=O)C(C)n1cnc2c(nnn2Cc2ccc(C)cc2)c1=O,CID3237209,,,,,,,0.0,,,,,,,,,,
COC(=O)C(C)n1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O,CID3241168,0.0,,,,,,,,,,,,,,,,
CCOC(=O)C(C)n1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O,CID3241944,0.0,0.0,,,,,,,,,,,0.0,,,,
COc1ccc(N2CCN(C(=O)CSc3ccc([N+](=O)[O-])cc3)CC2)cc1,CID2452057,,,,,,,,,,,,,,0.0,,,
COc1ccc(N2CCN(C(=O)CSc3ccccc3N)CC2)cc1,CID653110,,,,,0.0,,,,,,,,0.0,,,,0.0
O=C(CSc1ccccc1)N1CCN(c2ccccc2)CC1,CID817623,0.0,,,0.0,,,0.0,,,,,,,,,,
COc1ccc(N2CCN(C(=O)CSc3ccccc3)CC2)cc1,CID938245,0.0,,,,,,,,,,,,,,,,
O=C(CSc1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1,CID2920221,,,,,,0.0,,,,,,,,,,,
CCOC(=O)C1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1,CID5168569,,,,,,,,,,,,,,0.0,0.0,,
CCCNC(=O)C1CNc2ccccc2O1,CID31092,,,,,,,,,,,,0.0,,,,,
COCCNC(=O)CN1CCOc2ccccc21,CID5214843,,0.0,,,,0.0,,0.0,,,,,,,,0.0,
O=C(O)CCC(=O)N1CCOc2ccc(Cl)cc21,CID3244119,,,,,,,0.0,,,,,,,,,,0.0
NC(=O)C1CNc2ccccc2O1,CID26120,,,,,,,,,,,,0.0,,,,,
COc1ccc(-c2sc(NC(=O)c3ccc(C)cc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1,CID2279983,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)c(-c3ccccc3)s2)cc1,CID2275562,,,,,,,,,,,,0.0,,,,,
COc1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1[N+](=O)[O-],CID2256620,,,,,,0.0,,,,,,,,,,,
COc1ccc(-c2nc(NC(=O)c3ccccc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1,CID2257335,,,,,,,,,,,,,,,0.0,,
O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1ccccc1F,CID2256599,,,,,,0.0,,,,,,,,,,,
O=C1CC(c2ccco2)Cc2nc(Nc3ccc(F)cc3)ncc21,CID665489,,0.0,,0.0,,,0.0,,,,,0.0,,,,,
Cc1ccc(Nc2ncc3c(n2)CC(c2ccco2)CC3=O)c(C)c1,CID665672,0.0,0.0,,0.0,0.0,0.0,,,,,,,,,,,
Cc1cc(C)cc(Nc2ncc3c(n2)CC(c2ccco2)CC3=O)c1,CID665837,0.0,0.0,,,0.0,,,,,,0.0,,,,,,
CCc1ccc(Nc2ncc3c(n2)CC(c2ccco2)CC3=O)cc1,CID665816,0.0,0.0,0.0,,0.0,,,,0.0,,0.0,,,,,,0.0
Cc1cccc(Nc2ncc3c(n2)CC(c2ccco2)CC3=O)c1,CID665400,,,,,0.0,,,,,,,,0.0,,0.0,,
CCOC(=O)c1c(NC(=S)Nc2ccccc2)sc(C)c1C,CID809896,,,,,,,,,,0.0,,,,,,,
COC(=O)c1c(NC(=S)Nc2ccc(CC(=O)O)cc2)sc(C)c1C,CID2212011,,,,,,,,,,,,,,0.0,,,
COC(=O)c1c(NC(=S)Nc2ccccc2Cl)sc(C)c1C,CID2098766,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1cc(C)sc1NC(=S)Nc1ccccc1,CID804838,,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1c(NC(=S)Nc2ccc(Cl)cc2)sc(C)c1C,CID2375019,,,,,,,,,,,,,,0.0,,,
CCOc1ccc2[nH]c(=O)c(CN(Cc3nnnn3Cc3ccccc3)CC3CCCO3)cc2c1,CID649195,,,,,,,,,,0.0,,,,,,,0.0
COc1ccc2[nH]c(=O)c(CN(Cc3nnnn3Cc3ccccc3)CC3CCCO3)cc2c1,CID653237,,,,,,,,,,0.0,,,0.0,,,,
COc1ccc2[nH]c(=O)c(CN(Cc3nnnn3Cc3ccc(F)cc3)CC3CCCO3)cc2c1,CID647602,,,,,,,0.0,,,0.0,,0.0,,,,0.0,
CCC(c1nnnn1Cc1ccccc1)N(Cc1cc2cc(OC)ccc2[nH]c1=O)CC1CCCO1,CID650092,,,0.0,,,,,,,0.0,,,,,,,
COc1cc2cc(CN(Cc3nnnn3Cc3ccccc3)CC3CCCO3)c(=O)[nH]c2cc1OC,CID652602,,,0.0,,,,,,,0.0,,,0.0,0.0,,,0.0
COc1ccc(NC(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)cc1,CID5308271,0.0,,,,,,,,,,,,,,,0.0,
COc1cc(NC(=O)NCCN2CCN(c3ccc(Cl)cc3)CC2)ccc1C,CID1258258,,,,,,,,,,,,,,,0.0,0.0,0.0
COc1ccc(Cl)cc1N1CCN(CCNC(=O)Nc2ccccc2C)CC1,CID2224078,0.0,,0.0,,,,,,,,,,0.0,,,,0.0
COc1ccccc1N1CCN(CCNC(=O)Nc2cccc(C)c2C)CC1,CID1295362,,,0.0,,,,,,,,0.0,,0.0,,,0.0,0.0
COc1ccc(Cl)c(NC(=O)NCCN2CCN(c3ccccc3)CC2)c1,CID1257437,,,0.0,,,,,,,,,,,,,0.0,
COc1cccc(-c2nc(=S)c3c(o2)CCCC3)c1,CID974145,,,,,,,,,,,,,,0.0,0.0,,
S=c1nc(-c2ccccc2)oc2c1CCCC2,CID759315,,,,,,,,,,,,,,,0.0,,
S=c1nc(-c2ccc(Br)cc2)oc2c1CCCC2,CID698501,,,,,,,,,0.0,,,,,,,,
O=[N+]([O-])c1ccc(-c2nc(=S)c3c(o2)CCCC3)cc1,CID800023,,,,,,,,,,,,,,0.0,0.0,,
Cc1cccc(-c2nc(=S)c3c(o2)CCCC3)c1,CID2227749,,,,,,,,,,0.0,,,,,,,
COc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cccnc3)C2)c(OC)c1,CID5308855,,,,,,0.0,0.0,,,,,,,0.0,,0.0,
O=C(Nc1ccc(OC(F)(F)F)cc1)C1CCCN(S(=O)(=O)c2cccnc2)C1,CID3243255,0.0,,,,0.0,,,,,,,,,,,,0.0
CCOc1ccc(OCC)c(NC(=O)C2CCCN(S(=O)(=O)c3cccnc3)C2)c1,CID5307299,,,,,,0.0,,,,,,,,,,0.0,
COc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cccnc3)C2)cc1,CID3236448,,0.0,0.0,,,0.0,,,,,,,,,,,0.0
CCN(CC)c1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cccnc3)C2)c(C)c1,CID5309625,,,,,,,0.0,0.0,,0.0,,,,,,,
Cc1ccc2oc(C(=O)NCc3ccc4c(c3)OCO4)c(C)c2c1,CID975628,,,,,,,0.0,0.0,,,,,,,,0.0,
Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2ccc(Br)cc12,CID2496787,,,,,,,,,,,,0.0,,,,,
Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2ccccc12,CID797294,,,,,,,,0.0,,,0.0,,,,,,
Cc1cc2oc(C(=O)NCc3ccc4c(c3)OCO4)c(C)c2cc1C,CID975915,,,,,,,,,,,0.0,,,,,,
O=C(NCc1ccc2c(c1)OCO2)c1cc2ccccc2o1,CID673861,,,,,,,,,,,,,,,0.0,,
Cc1cccc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c1,CID924827,,,,,,,,,,,,,,0.0,,,
Cc1ccc(OCC(=O)Nc2sc3c(c2C#N)CCC3)cc1C,CID772496,,,,,,0.0,,,,,,0.0,,0.0,,,
Cc1ccc(OCC(=O)Nc2sc3c(c2C#N)CCC3)cc1,CID958574,,,,,,0.0,,,,,,0.0,,,,,
Cc1ccccc1OCC(=O)Nc1sc2c(c1C#N)CCC2,CID1720947,,,,,,,,,,,,0.0,,,,,
Cc1ccc(OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)c(C)c1,CID698918,,,,,,0.0,,,,,,,,,,,
COc1ccccc1CNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1c(C)n[nH]c1C,CID3238434,,0.0,,,0.0,0.0,,0.0,,,,,,,,,0.0
COc1ccc(N(CC(=O)NCc2ccccc2OC)S(=O)(=O)c2c(C)nn(C)c2C)cc1,CID5308276,,,,,,,,,,,,,,,,0.0,
COc1ccccc1CNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1c(C)nn(C)c1C,CID3241385,,,,,0.0,0.0,,,,,,,,,0.0,,
COc1ccc(N(CC(=O)NCc2ccccc2)S(=O)(=O)c2c(C)nn(C)c2C)cc1,CID9551359,,,,,,,,,,,,,,0.0,,,
COc1ccc(N(CC(=O)NCc2ccc(C)cc2)S(=O)(=O)c2c(C)nn(C)c2C)cc1,CID9551676,,,,,,,,,,,,,,0.0,,,
CCCS(=O)(=O)N1CCCC(C(=O)NC2CCCC(C)C2C)C1,CID3243601,,,0.0,,,,0.0,,,,,,0.0,,,,
CCCS(=O)(=O)N1CCCC(C(=O)NC2CCCCC2)C1,CID3236558,,,,,,,,,,0.0,0.0,,,,,,
CCS(=O)(=O)N1CCCC(C(=O)NC2CCC(C)CC2)C1,CID3238187,,,,0.0,,,,,,,,,0.0,,,,
CCS(=O)(=O)N1CCCC(C(=O)NC2CCCCC2C)C1,CID3238864,,0.0,,0.0,,,,,,,,,0.0,,,,
CCS(=O)(=O)N1CCCC(C(=O)NC2CCCCC2)C1,CID3237439,,,0.0,0.0,,,,,,,,0.0,0.0,,,,
Cc1ccc(S(=O)(=O)NCC(=O)NC2CCCC2)cc1,CID3242550,,,,,0.0,,,,0.0,,,,,,,0.0,
COc1ccc(S(=O)(=O)N(C)CC(=O)NC2CCCC2)cc1Cl,CID1253160,0.0,0.0,,,0.0,,,,,0.0,,,0.0,,,,0.0
Cc1ccc(S(=O)(=O)N(C)CC(=O)NC2CCCC2)cc1,CID770928,,,,,,,,,,,,,,,,,0.0
Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)NC2CCCC2)c(C)c1,CID894303,0.0,,0.0,,,,0.0,,,,,,,,,,
CCN(CC(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)cc1,CID974010,0.0,,,0.0,,,0.0,0.0,,,,,,,0.0,,0.0
CCOc1cc2[nH]c(=S)n(CCN3CCC(C)CC3)c(=O)c2cc1OCC,CID3491393,,,,,,,,,,0.0,,,,,,,
CCOc1cc2[nH]c(=S)n(CCN3CCCCC3C)c(=O)c2cc1OCC,CID4100913,,,,,,,,,,,0.0,,,,,,
CCC1CCCCN1CCn1c(=S)[nH]c2cc(OC)c(OC)cc2c1=O,CID3245654,,,,,,,,0.0,,,,,,0.0,,,
COc1cc2[nH]c(=S)n(CCN3CCCCC3C)c(=O)c2cc1OC,CID3238579,,,0.0,,,,,0.0,,0.0,0.0,,,,,,
CCOc1cc2[nH]c(=S)n(CCN3CCCCC3CC)c(=O)c2cc1OCC,CID5056559,,,,,,,,,,,0.0,,,,,,
CCOC(=O)Cn1c(=O)sc2ccccc21,CID768292,,,,,0.0,,0.0,,,,,,,,0.0,,
CCCCN(C)CCNC(=O)Cn1c(=O)sc2ccccc21,CID5307267,,,,,,,,0.0,,,,,,,,,
COC(=O)Cn1c(=O)sc2ccccc21,CID648596,,,,,0.0,,0.0,,,,,,0.0,,,,
O=C(O)CCn1c(=O)sc2ccccc21,CID651861,,,0.0,,,,,,0.0,,,,,,,,
CC(C)OC(=O)Cn1c(=O)sc2ccccc21,CID648103,,,,,0.0,,,,,,,,,,,,
Cc1ccccc1COc1ccc2oc(C)c(C(=O)O)c2c1,CID702034,,,,,,0.0,,,,,,,,,,,
Cc1oc2ccc(OCc3ccc(F)cc3)cc2c1C(=O)O,CID658979,,,,,,0.0,,0.0,,,0.0,,0.0,,,,
COCCOC(=O)c1c(C)oc2ccc(OCc3cccc(F)c3)cc12,CID1584696,,,,,,0.0,,,,,,,,,,,
Cc1ccc(COc2ccc3oc(C)c(C(=O)O)c3c2)cc1,CID853137,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1c(C)oc2ccc(OCc3cccc(F)c3)cc12,CID880042,,,,,,0.0,,,,,,,,,,,
O=C(O)Cn1c(SCCOc2ccccc2)nc2ccccc21,CID2772705,,,0.0,0.0,,,0.0,0.0,,,,0.0,,,,,0.0
COc1ccc(OCCSc2nc3ccccc3n2CC(=O)O)cc1,CID2772708,,,,,,,,0.0,0.0,,,,,0.0,0.0,,0.0
O=C(O)Cn1c(SCCOc2ccccc2F)nc2ccccc21,CID2772712,,,,,,,0.0,0.0,,,,,,,,,
OCCn1c(SCCOc2ccccc2)nc2ccccc21,CID2772508,,,,,,,,,,,,,,0.0,,,
OCCn1c(SCCOc2ccccc2F)nc2ccccc21,CID2772518,,,0.0,,,,,,,,,,,,,0.0,
Cc1cccc(-c2nc(C#N)c(N3CCCCCC3)o2)c1,CID892243,0.0,0.0,0.0,,,,0.0,0.0,,0.0,,,,0.0,,,
CCOc1ccc(-c2nc(C#N)c(N3CCCCCC3)o2)cc1,CID949795,0.0,0.0,,,,,,,0.0,0.0,0.0,0.0,,,,,
COc1ccc(-c2nc(C#N)c(N3CCCCCC3)o2)cc1OC,CID664138,0.0,0.0,0.0,,,,,,,,0.0,,0.0,,0.0,,
COc1ccc(-c2nc(C#N)c(N3CCCCCC3)o2)cc1,CID892112,0.0,0.0,0.0,0.0,,,0.0,0.0,,,0.0,,,,,,
COc1ccccc1-c1nc(C#N)c(N2CCCCCC2)o1,CID940904,,,,,,0.0,,,,,,,,,,,
COc1cccc(Cn2cccc(NC(=O)Nc3ccc(C#N)cc3)c2=O)c1,CID1450145,,,,,,,,,,,0.0,0.0,,,0.0,,
Cc1ccc(NC(=O)Nc2cccn(Cc3c(F)cccc3Cl)c2=O)cc1,CID1450129,,,,,,,,,,,,,,,0.0,,
COc1ccc(Cn2cccc(NC(=O)Nc3ccc(C#N)cc3)c2=O)cc1,CID653490,,,0.0,,,,0.0,,,,,0.0,0.0,,0.0,,0.0
COc1ccc(Cn2cccc(NC(=O)Nc3cccc(C#N)c3)c2=O)cc1,CID3231725,,,,,,0.0,,,,,,,,,,,
COc1cccc(NC(=O)Nc2cccn(Cc3ccccc3)c2=O)c1,CID1450040,,,,,,0.0,,,0.0,,,0.0,,,,,
O=c1nc(SCCOc2ccccc2F)[nH]c2ccccc12,CID2772598,,,,,,0.0,,,,,,,,,,,
COc1ccccc1OCCSc1nc(=O)c2ccccc2[nH]1,CID2254184,0.0,,0.0,0.0,,,,,,,0.0,0.0,,,,0.0,0.0
O=c1nc(SCCOc2ccccc2)[nH]c2ccccc12,CID1712624,0.0,0.0,,0.0,0.0,,0.0,,,,,0.0,0.0,0.0,,,0.0
COc1ccc(OCCSc2nc(=O)c3ccccc3[nH]2)cc1,CID1732467,,,0.0,0.0,0.0,,0.0,,,,,,,0.0,,,
CCOc1ccc(OCCSc2nc(=O)c3ccccc3[nH]2)cc1,CID2109654,,,,,,,,,,,,0.0,,0.0,,,
Cc1cccc(Nc2nc(N)nc(CN3CCN(C)CC3)n2)c1,CID667134,,,,0.0,,,,,,,,,,,,,
CCOC(=O)N1CCN(Cc2nc(N)nc(Nc3ccccc3C)n2)CC1,CID3159868,,,,,,,,,,0.0,,0.0,,,,,
Cc1ccc(Nc2nc(N)nc(CN3CCN(C)CC3)n2)cc1C,CID665941,,0.0,0.0,0.0,,,,,,,,,,,,0.0,
CCN1CCN(Cc2nc(N)nc(Nc3ccc(C)c(C)c3)n2)CC1,CID666822,,0.0,,,,,,,,,,,0.0,,,,
Cc1ccc(Nc2nc(N)nc(CN3CCN(C)CC3)n2)cc1,CID666466,,,,0.0,,,,,,,,,,,,0.0,
CCN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N(CC)Cc3ccccc3)cc2)CC1,CID653144,,,,,0.0,,,,,,,,0.0,,,0.0,
N#CCCN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCc3ccccc3)cc2)CC1,CID4117900,,,,,0.0,,0.0,,,0.0,,,0.0,,,,
CCN(Cc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(CCC#N)CC2)cc1,CID4122236,,,0.0,0.0,0.0,,0.0,,0.0,,,,,,,,
CN(Cc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(CCC#N)CC2)cc1,CID4118032,,,,0.0,0.0,,,,0.0,,,,,,,0.0,
CCN(Cc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1,CID655001,,,,,0.0,0.0,0.0,,,,,,0.0,,,0.0,
COC(=O)c1ccccc1NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1,CID1082247,,,,,,0.0,,,,,,,,,,,
Cc1cccc(C)c1NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1,CID999345,,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccccc1Cl)c1ccc(CN2CCc3ccccc3C2)cc1,CID2272592,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1ccccc1NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1,CID1208462,,,,,,0.0,,,,,,,,,,,
CC(C)c1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1,CID1361581,,,,,,0.0,,,,,,,,,,,
Cc1ccc(Sc2c([N+](=O)[O-])ncn2C)cc1,CID901275,,,,,,0.0,,,,,,,,,0.0,,
Cn1cnc([N+](=O)[O-])c1Sc1ccccc1,CID253364,,,,,,,,,,,,0.0,,,,,
CCCn1c(CC)nc([N+](=O)[O-])c1Sc1ccc(F)cc1,CID901273,,,,,,0.0,,,,,,,,,,,
Cc1cccc(Sc2c([N+](=O)[O-])ncn2C)c1,CID901282,,,,,,0.0,,,,,,,,,,,
CCCn1c(CC)nc([N+](=O)[O-])c1Sc1ccc(C)cc1,CID901982,,,,,,,,,,,,,,0.0,,,
Cc1cccc(C)c1OCc1n[nH]c(=S)n1-c1ccccc1,CID978233,,,,,,,,,,,,,,0.0,,,
COc1ccc(OCc2n[nH]c(=S)n2-c2ccc(C)cc2)cc1,CID865762,,,,,,,,,,,,,,0.0,,,
Cc1ccc(OCc2n[nH]c(=S)n2-c2ccc(C)cc2)cc1,CID769940,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1OCc1n[nH]c(=S)n1-c1ccccc1,CID726013,,,,,,,,,,,,,,0.0,,,
Cc1cccc(OCc2n[nH]c(=S)n2-c2ccccc2)c1,CID767150,,,,,,,,,,,,,,0.0,,,
O=C(Nc1cc(Cl)ccn1)C1CCN(S(=O)(=O)c2cccs2)CC1,CID1190394,,,,,,,,,0.0,,,,,0.0,0.0,,
O=C(Nc1ccccn1)C1CCN(S(=O)(=O)c2cccs2)CC1,CID1535318,0.0,,,0.0,0.0,0.0,0.0,,0.0,0.0,,,0.0,0.0,,,
Cc1ccnc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1,CID2315676,,0.0,,,0.0,,,,0.0,0.0,0.0,,0.0,0.0,,,
Cc1cccnc1NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1,CID2307845,,,,,,,,,,0.0,,,,0.0,,,
Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)n1,CID3238348,,,,,0.0,,,,0.0,0.0,,,,,,,
Cc1ccc2c(c1)C(O)(CC(=O)c1ccc3c(c1)OCO3)C(=O)N2,CID2950464,,,,,0.0,,,,,,,0.0,,,,0.0,
CN1C(=O)C(O)(CC(=O)c2ccc3c(c2)OCO3)c2ccccc21,CID2918172,,,,0.0,,,0.0,0.0,,,0.0,,0.0,,,0.0,0.0
O=C(CC1(O)C(=O)Nc2ccc(Br)cc21)c1ccc2c(c1)OCO2,CID304906,0.0,,,,,,,,,,0.0,,,,,,
Cc1ccc2c(c1C)NC(=O)C2(O)CC(=O)c1ccc2c(c1)OCO2,CID2960921,,,,,0.0,,0.0,,,,,,0.0,,,0.0,0.0
O=C(CC1(O)C(=O)Nc2ccccc21)c1ccc2c(c1)OCO2,CID2914937,,,,,0.0,,,0.0,,,0.0,,,,,,
O=C(O)CCn1c(=O)c2ccccc2c2ccccc2c1=O,CID659773,,,0.0,0.0,,,,,,,,,0.0,,,,
CCC(=O)OCCn1c(=O)c2ccccc2c2ccccc2c1=O,CID714766,,,,,,0.0,,,,,,,,,,,
COCCCn1c(=O)c2ccccc2c2ccccc2c1=O,CID3237002,,,,,,0.0,0.0,,,,,,,,,0.0,
CC(C)Cn1c(=O)c2ccccc2c2ccccc2c1=O,CID893726,,,,,,,,0.0,,,,,,,,,
CCCCn1c(=O)c2ccccc2c2ccccc2c1=O,CID2054003,,0.0,0.0,,,,,0.0,,,,,,,,0.0,
Cc1ccc(CNC(=O)CSc2nc(C)cs2)cc1,CID2532745,,,,,,,,,,,,,,0.0,,,
Cc1csc(SCC(=O)NCc2ccccc2)n1,CID2108496,,,,,,,,,,,,,,0.0,,,
Cc1csc(SCC(=O)NCc2ccccc2Cl)n1,CID2532896,,,,,,,,,,,,,,,0.0,,
Cc1csc(SCC(=O)NCc2cccc(Cl)c2)n1,CID2497131,,,,,,,,,,,,,,0.0,,,
COc1ccc(CNC(=O)CSc2nc(C)cs2)cc1,CID2533042,,,,,,,,,,,,,,,0.0,,
CC(C)N(C(=O)NC(=O)NCC1CCCO1)S(C)(=O)=O,CID2997693,,,,,,,,,,,,,0.0,,,,
CCC(C)C(NC(=O)NCC1CCCO1)C(=O)OC,CID663411,,,,,,,,,,0.0,,,,,,,0.0
O=C(O)CCC(=O)OCC1CCCO1,CID658628,,,0.0,,,,,0.0,,,0.0,,,,,,
CC(NC(=O)NCC1CCCO1)(C(F)(F)F)C(F)(F)F,CID2968259,,,,,,,,,0.0,,,,,,,,0.0
O=C(CCl)NCC1CCCO1,CID532064,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccc(NC(=O)CCN2CCN(Cc3ccccc3)CC2)cc1,CID564104,,,,,,,,,0.0,0.0,0.0,0.0,,,,,
COc1ccccc1NC(=O)CCN1CCN(Cc2ccccc2)CC1,CID1124438,,,,,,,,,,0.0,0.0,0.0,,,,,
COc1cc(NC(=O)CCN2CCN(Cc3ccccc3)CC2)cc(OC)c1,CID1149687,,,,,,,,,,,,0.0,,,,,
O=C(CCN1CCN(Cc2ccccc2)CC1)Nc1cccc(Cl)c1,CID655938,0.0,,0.0,,,,,,,,,,,,,,
Cc1ccccc1NC(=O)CCN1CCN(Cc2ccccc2)CC1,CID772613,,,,,,,,0.0,,,,,,,,,
COC(=O)c1ccc(NC2=N/C(=C3\C=CC=CC3=O)NC(C)=C2)cc1,CID5389168,,,,,,,,0.0,,,,,,,,,
CC1=CC(Nc2ccc(C)cc2)=N/C(=C2\C=CC=CC2=O)N1,CID6098091,,,,,,,,,,0.0,,,,,,,
CC1=CC(Nc2cccc(F)c2)=N/C(=C2/C=CC=CC2=O)N1,CID5389199,,,,0.0,,,,,,,0.0,,0.0,,,,
COC(=O)c1cccc(NC2=N/C(=C3\C=CC=CC3=O)NC(C)=C2)c1,CID5389155,,,,,,,0.0,0.0,,,,,,,,,
CC1=CC(Nc2ccccc2)=N/C(=C2/C=CC=CC2=O)N1,CID5413643,,,,,,,,,,,,,,,,0.0,
COc1ccc(NC(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)cc1,CID1438062,,,,,,,,,,0.0,0.0,,,,0.0,,
CCOc1ccccc1NC(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1,CID1438102,,,,,,,,,,,,0.0,,,,,
COc1ccccc1NC(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1,CID651961,,,,,,,,,,,,0.0,,,,,
CCOc1ccc(NC(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)cc1,CID1438067,,,,,,,,,,,,0.0,,,,,
O=C(c1ccc(F)cc1)C1CCN(C(=O)Nc2ccc(F)cc2)CC1,CID1438072,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)cc(OCC(=O)N(Cc2cccs2)C2CCS(=O)(=O)C2)c1,CID662528,,,0.0,,0.0,,0.0,,,0.0,,,,,,,
Cc1cccc(OCC(=O)N(Cc2cccs2)C2CCS(=O)(=O)C2)c1C,CID662331,,,,,0.0,,0.0,,,,,,,0.0,0.0,,
Cc1cccc(OCC(=O)N(Cc2cccs2)C2CCS(=O)(=O)C2)c1,CID662648,,,,,0.0,0.0,0.0,,0.0,,0.0,,,,,,
Cc1cccc(OC(C)C(=O)N(Cc2cccs2)C2CCS(=O)(=O)C2)c1C,CID662990,,,,,,,,,,,,,,,,0.0,
Cc1ccccc1OCC(=O)N(Cc1cccs1)C1CCS(=O)(=O)C1,CID662623,,,0.0,0.0,0.0,0.0,0.0,,0.0,0.0,,,,0.0,,,
CCC(C)NC(=O)C(NS(=O)(=O)c1cccc2nsnc12)c1ccccc1,CID3236630,0.0,,,,,0.0,0.0,,0.0,,,,,,,0.0,
Cc1ccc(CNS(=O)(=O)c2cccc3nsnc23)cc1,CID5002538,,,,,,,,,,,,,,,0.0,,
CCCCNC(=O)C(NS(=O)(=O)c1cccc2nsnc12)c1ccccc1,CID3241502,,,,,0.0,,,,,,,0.0,,,,0.0,
O=C(O)CC(NS(=O)(=O)c1cccc2nsnc12)c1ccc(F)cc1,CID3244101,,,0.0,,0.0,,,,,,0.0,0.0,,,,0.0,
CCCNC(=O)C(NS(=O)(=O)c1cccc2nsnc12)c1ccccc1,CID3239755,0.0,0.0,0.0,0.0,0.0,0.0,,,0.0,,,,,,,0.0,
CCC1(C)Cc2ccccc2-c2nc(NCCO)n(-c3ccccc3)c(=O)c21,CID662521,,,,,0.0,,,,,,,,,,,,0.0
CC1(C)Cc2ccccc2-c2nc(NCCO)n(-c3ccccc3)c(=O)c21,CID1893664,,,,0.0,,,,,,,,,,,,,
CCC1(C)Cc2ccccc2-c2nc(NCCO)n(-c3ccc(C)cc3)c(=O)c21,CID2946503,,,,,,,,,,,,0.0,,,,,
CC1(C)Cc2ccccc2-c2nc(NCCCO)n(-c3ccccc3)c(=O)c21,CID1917592,,0.0,0.0,,,0.0,,,,,,,,,,,0.0
CCC1(C)Cc2ccccc2-c2nc(NCCCO)n(-c3ccccc3)c(=O)c21,CID3526439,,,,,,,,,,,0.0,,,,,,
Cc1ccc2cccc(OC(=O)N(C)c3ccccc3)c2n1,CID709890,0.0,,,,0.0,,0.0,0.0,,,,,0.0,,,0.0,
CN(C(=O)Oc1ccc(Cl)c2cccnc12)c1ccccc1,CID709882,,,,,,,,,,,,,,0.0,,,
Cc1ccc(N(C)C(=O)Oc2cccc3ccc(C)nc23)cc1,CID4092397,,,,,,,,,0.0,,,,,,,,
Cc1ccc(N(C)C(=O)Oc2cccc3cccnc23)cc1,CID976432,0.0,,,,0.0,,0.0,0.0,0.0,,,,,0.0,,,
CN(C(=O)Oc1cccc2cccnc12)c1ccccc1,CID701779,,,,,0.0,0.0,,0.0,,,,,,0.0,,,
O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1ccccc1Cl,CID2622581,0.0,,,0.0,,,0.0,,,,,,,,0.0,0.0,
Cc1ccc(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c(Cl)c1,CID2578362,0.0,0.0,,,,,,,,,,,,,0.0,0.0,0.0
Cc1cc(C)c(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)c(C)c1,CID2622660,,0.0,,,0.0,,,,0.0,,,,0.0,,,,0.0
Cc1cc(C)c(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)c(Cl)c1,CID2622461,0.0,0.0,0.0,0.0,,0.0,0.0,,0.0,,0.0,,0.0,,,0.0,0.0
Cc1ccccc1NC(=O)CN1C(=O)NC2(CCCCC2)C1=O,CID2622585,,,,,,0.0,,,0.0,,,,,,,,
COc1ccc(C(=O)Nc2nc(=O)c3cc(OC)c(OC)cc3[nH]2)cc1,CID1242993,0.0,,,,,,,0.0,,,,,0.0,,,,
COc1cc2[nH]c(NC(=O)c3ccccc3)nc(=O)c2cc1OC,CID907288,,0.0,0.0,,,,0.0,,0.0,,,0.0,,,,,
COc1cc2[nH]c(NC(=O)c3ccc(Cl)cc3)nc(=O)c2cc1OC,CID1401401,0.0,,0.0,0.0,,,,0.0,,,,0.0,,,0.0,0.0,0.0
COc1ccc(C(=O)Nc2nc(=O)c3ccccc3[nH]2)cc1,CID935632,,,,,,,,,0.0,,,,,,,,
CCSc1ccccc1C(=O)Nc1nc(=O)c2ccccc2[nH]1,CID1977232,,,,,,,,,,,,,,0.0,0.0,,
CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1-c1ccco1,CID2954746,,0.0,,0.0,0.0,,0.0,,0.0,0.0,,0.0,,,,,
CCn1c(SCC(=O)Nc2nc(C)c(C)s2)nnc1-c1ccco1,CID649166,0.0,,0.0,,0.0,,,,0.0,,,,,,,,
Cc1csc(NC(=O)CSc2nnc(-c3ccco3)n2C)n1,CID654487,0.0,0.0,,0.0,0.0,0.0,,,,0.0,,,0.0,,,,0.0
Cn1c(SCC(=O)Nc2nccs2)nnc1-c1ccco1,CID860179,,,,,,,,,,0.0,,,,,,,
C=CCn1c(SCC(=O)Nc2nccs2)nnc1-c1ccco1,CID2212730,,,,,,0.0,,,0.0,0.0,0.0,,,0.0,,,
Cc1cnc(C(=O)Nc2nnc(C)s2)cn1,CID650511,,0.0,,0.0,,,0.0,,,0.0,,,,0.0,,,
CC(C)c1nnc(NC(=O)c2cnccn2)s1,CID655687,,,,,,,,,,,,,,0.0,,,
CCc1nnc(NC(=O)c2cnccn2)s1,CID786355,,0.0,,,,,,,,0.0,,,,,,,
Cc1cnc(C(=O)Nc2nnc(C(C)C)s2)cn1,CID649968,,0.0,,0.0,,,,,,,,,,,,0.0,
CCSc1nnc(NC(=O)c2cnccn2)s1,CID752976,0.0,,,0.0,,,,,,,,,,,,,
CC(C)N(Cc1cc2ccccc2[nH]c1=O)C(=O)C1CCCCC1,CID664599,0.0,,,,0.0,,,0.0,,0.0,,0.0,,,,,
CN(Cc1cc2ccccc2[nH]c1=O)C(=O)C1CCCCC1,CID664453,0.0,,,,0.0,0.0,,0.0,,0.0,0.0,,,0.0,,0.0,
CC(C)(C)N(Cc1cc2ccccc2[nH]c1=O)C(=O)C1CCCCC1,CID665405,,,,,0.0,,,,,,,,,,,,0.0
COc1ccc2[nH]c(=O)c(CN(C)C(=O)C3CCCCC3)cc2c1,CID664480,,,,,0.0,0.0,0.0,,0.0,,,,,,,,0.0
CCN(Cc1cc2ccccc2[nH]c1=O)C(=O)C1CCCCC1,CID663680,0.0,,,,0.0,,,,,,,0.0,0.0,,,,
Cc1cc(C)n(C(=O)COc2ccccc2C)n1,CID730205,,,,,,,,,,0.0,,,,,,,
Cc1ccc(OCC(=O)n2nc(C)cc2C)c(C)c1,CID1090340,,,,,,,,,0.0,,,,,,,,
Cc1ccc(OCC(=O)n2nc(C)cc2C)c(Br)c1,CID730003,0.0,,,,,,0.0,,0.0,,,0.0,,,,,
Cc1cc(C)n(C(=O)COc2c(C)cccc2C)n1,CID969139,0.0,,,,0.0,,,,0.0,0.0,,,,,,0.0,
Cc1cc(C)n(C(=O)COc2ccc([N+](=O)[O-])cc2)n1,CID675601,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccc(Cn2[nH]nc3c(=O)nc(C4CCN(S(=O)(=O)c5ccc(F)cc5)CC4)nc2-3)cc1,CID655851,,,,,,,,,,0.0,0.0,,,,,0.0,
Cc1ccc(C)c(S(=O)(=O)N2CCC(c3nc4n(Cc5ccc(F)cc5)[nH]nc-4c(=O)n3)CC2)c1,CID3244683,0.0,,,,,,,,,,,,,,,0.0,
Cc1ccc(Cn2[nH]nc3c(=O)nc(C4CCN(S(=O)(=O)c5ccc(C)cc5)CC4)nc2-3)cc1,CID648893,,,,,,,,0.0,,,0.0,,,,,0.0,0.0
Cc1ccc(Cn2[nH]nc3c(=O)nc(C4CCN(S(=O)(=O)c5cc(C)ccc5C)CC4)nc2-3)cc1,CID3244004,0.0,,,0.0,,,,,,,,,,,,0.0,0.0
Cc1ccc(Cn2[nH]nc3c(=O)nc(C4CCN(S(=O)(=O)c5ccccc5)CC4)nc2-3)cc1,CID646991,,0.0,,0.0,,,,,,,,,0.0,,0.0,0.0,0.0
CCCC(=O)Nc1ccc(NC(=O)c2ccccn2)cn1,CID645135,,0.0,,,,,,,,,,,0.0,0.0,,,
CC(C)C(=O)Nc1ccc(NC(=O)c2ccccn2)cn1,CID649501,,0.0,,,,0.0,0.0,,,,,,0.0,0.0,0.0,,
Cc1cc(NC(=O)C(C)C)ncc1NC(=O)c1ccccn1,CID1452875,,,,,,,,,,,,,,,0.0,,
CCC(=O)Nc1ccc(NC(=O)c2ccccn2)cn1,CID655604,,0.0,,0.0,,,0.0,0.0,,,,,,,0.0,,
CCCC(=O)Nc1cc(C)c(NC(=O)c2ccccn2)cn1,CID656032,,0.0,,,,,0.0,,,,,,0.0,,0.0,,
CC1(C)CC(=O)c2cnc(N)nc2C1,CID2772366,,,,,,0.0,,,,,0.0,0.0,,,,,
CC(C)CC(=O)Nc1ncnc2c1C(=O)CC(C)(C)C2,CID658911,,,0.0,,,,,0.0,,,,0.0,,,,,
CCCc1nc(N)nc2c1C(=O)CC(C)(C)C2,CID2834688,,0.0,,0.0,,,,,,,,,,,,,
CCc1nc(N)nc2c1C(=O)CC(C)(C)C2,CID2851058,,0.0,,,,,,0.0,,0.0,0.0,0.0,0.0,,,,
CCCCC(=O)Nc1ncc2c(n1)CC(C)(C)CC2=O,CID1594930,,0.0,,,,,,,,,,,,,,,0.0
COCC(=O)N(Cc1ccc(OC)cc1)Cc1nc(=O)c2ccccc2[nH]1,CID652908,,,,,,,,0.0,,,,,,,,,
COc1cc2[nH]c(CN(C)Cc3ccc(OC)c(OC)c3OC)nc(=O)c2cc1OC,CID2114264,,,,,,,,,,,,,,0.0,,,
COc1cc2[nH]c(CN(C)Cc3ccc(Cl)cc3)nc(=O)c2cc1OC,CID2689282,,,,,,,,,,,,,,0.0,,,
COc1ccc(CN(Cc2nc(=O)c3ccccc3[nH]2)C(=O)C(C)(C)C)cc1,CID651181,,0.0,0.0,,0.0,0.0,,,,,0.0,0.0,,,,,
CS(=O)(=O)N(Cc1ccc(F)cc1)Cc1nc(=O)c2ccccc2[nH]1,CID655002,,0.0,,0.0,,,,0.0,,,,,0.0,0.0,,0.0,0.0
CCNc1oc(-c2cccc3ccccc23)nc1C#N,CID974197,0.0,,0.0,0.0,,,0.0,0.0,,,,0.0,0.0,0.0,0.0,0.0,
C=CCNc1oc(-c2cccc3ccccc23)nc1C#N,CID663890,,,,,,,,,,,,0.0,,,,0.0,
CNc1oc(-c2cccc3ccccc23)nc1C#N,CID664510,,,0.0,,,,0.0,,,,,,,,,0.0,
CC(C)Nc1oc(-c2cccc3ccccc23)nc1C#N,CID663999,0.0,,,0.0,,0.0,,,,,,,,,,,
CCCNc1oc(-c2cccc3ccccc23)nc1C#N,CID663428,0.0,,,,,,,,,,,,,,,,0.0
Cc1nnc(SC(C)C(=O)N2CCc3ccccc32)s1,CID4878641,,,,,,,,,,,,,,0.0,,,
Cc1nnc(SCC(=O)N2c3ccccc3CC2C)s1,CID651057,0.0,,,0.0,0.0,,,,,,0.0,,,,0.0,,
Cc1nnc(SCC(=O)N2CCc3ccccc32)s1,CID892092,0.0,0.0,0.0,,,,0.0,,,0.0,0.0,,,,,,
CC(C)C(=O)Nc1nnc(SCC(=O)N2c3ccccc3CC2C)s1,CID3220444,,,,,,0.0,,,,,,,,,,,
CCC(=O)Nc1nnc(SCC(=O)N2c3ccccc3CC2C)s1,CID3220431,,,,,,,,,0.0,0.0,,,,,,,
COC(=O)c1sccc1NC(=O)c1ccc(OC)c(OC)c1,CID2933390,,,,,,,,,0.0,,,,,,,,
COC(=O)c1sccc1NC(=O)c1ccc(OC)cc1,CID844198,,,,,0.0,,,,0.0,,,,,,,0.0,
COC(=O)c1sccc1NC(=O)c1cccc(OC)c1,CID873872,,,,,,,,,,,,,,0.0,,,
COC(=O)c1sccc1NC(=O)c1ccc(OC)cc1OC,CID897602,,,,,,,,,,,,,,0.0,,,
COC(=O)c1sccc1NC(=O)c1ccccc1,CID738341,,,,,,,,,,,,,,0.0,,,
CCNC(=O)CC1C(=O)N(c2cccc(OC)c2)C(=O)N1CCOC,CID2981691,,,,,,,,0.0,,,,,0.0,,,,
CCNC(=O)CC1C(=O)N(c2ccc(F)cc2)C(=O)N1CCC(C)C,CID3243633,,,,,,,,,,,,0.0,,0.0,,,
O=C(O)CC1NC(=O)N(c2ccc(Cl)cc2)C1=O,CID655649,,,,,,,,,,,0.0,,0.0,,,0.0,
O=C(O)CC1NC(=O)N(c2ccccc2)C1=O,CID2913270,,0.0,,0.0,,,0.0,,,0.0,,,,,,,
CCNC(=O)CC1C(=O)N(c2ccccc2)C(=O)N1CCC(C)C,CID2983576,,0.0,0.0,,0.0,,0.0,,,,,0.0,,,,,0.0
COc1ccc(C(=O)CSc2nnc(C3CC3)n2N)cc1,CID2406914,,,,,,0.0,,,,,,,,,,,
Cn1c(SCC(=O)c2ccccc2F)nnc1C1CC1,CID653283,,,,,,,0.0,,0.0,,0.0,,0.0,,,0.0,
CCn1c(SCC(=O)c2cc(OC)ccc2OC)nnc1C1CC1,CID652462,0.0,,0.0,0.0,0.0,,0.0,0.0,,,,,0.0,,,,
CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1C1CC1,CID855132,,,,,,,,,,,,,,0.0,,,
Cn1c(SCC(=O)c2ccccc2)nnc1C1CC1,CID650279,,,0.0,0.0,0.0,,0.0,0.0,,,,,,,,0.0,0.0
CSc1nc(-c2ccc(Cl)cc2)nn1S(=O)(=O)c1ccccc1,CID1051125,,,,,,,,,0.0,0.0,0.0,,,0.0,,,
CSc1nc(-c2ccccc2)nn1S(=O)(=O)c1ccc(Cl)cc1,CID1051129,,,,,,,,,0.0,,,,,0.0,,,
COc1ccc(-c2nc(SC)n(S(=O)(=O)c3ccccc3)n2)cc1,CID2200936,0.0,,,0.0,0.0,0.0,0.0,,0.0,0.0,,,,,,,
CC(=O)Nc1ccc(S(=O)(=O)n2nc(-c3ccc(C)cc3)nc2N)cc1,CID647877,0.0,0.0,,,0.0,0.0,,,,,,,0.0,,,,
CSc1nc(-c2ccccc2)nn1S(=O)(=O)c1ccccc1,CID828572,,,,,,,,,,0.0,0.0,,,0.0,0.0,,
CC(=O)NS(=O)(=O)c1ccc(NC(=O)CCC2CCCC2)cc1,CID868237,,,,0.0,,,0.0,0.0,,,,,,,,,
N#Cc1cccc(NC(=O)CCC2CCCC2)c1,CID976308,0.0,,,,0.0,,,,,0.0,,,,,,,
COc1ccc(NC(=O)CCC2CCCC2)cc1OC,CID976262,,,,0.0,,,,0.0,,,0.0,,,,,,
COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCC1CCCC1,CID976162,,,,,,,,,,,,,0.0,,0.0,0.0,
CC(=O)c1cccc(NC(=O)CCC2CCCC2)c1,CID844337,,,,,,0.0,,,0.0,,0.0,,,,,,
C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2,CID665150,0.0,,,0.0,0.0,0.0,,,,,0.0,,,,,,
CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2,CID664915,0.0,,0.0,0.0,0.0,,,,0.0,,,0.0,,,,,0.0
CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2,CID652351,0.0,,,,0.0,,,,,,0.0,0.0,0.0,,,0.0,0.0
CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2,CID645084,0.0,,0.0,,0.0,0.0,,0.0,,,,,0.0,,,0.0,
CCn1c(COc2ccccc2C)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2,CID649093,0.0,,0.0,,0.0,,,,,,,,,,,0.0,0.0
COC(=O)c1[nH]c2cccc(C)c2c1NC(=O)CN1CCN(C(=O)c2ccco2)CC1,CID665154,,,0.0,,,,,0.0,,,,,,,,,0.0
COC(=O)c1c(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)c2c(C)cccc2n1C,CID665833,,0.0,,,,,,,,,,,,,,0.0,
COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CCN(C(=O)c2ccco2)CC1,CID664619,,,0.0,0.0,,,,0.0,,,,,,,,,
COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)CN1CCN(C(=O)c2ccco2)CC1,CID664042,,,0.0,,,,,,,,,,,,0.0,,0.0
COC(=O)c1c(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)c2cc(C)ccc2n1C,CID666346,,,0.0,,,,0.0,,,,,,,,,,
COc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2CC2CCCO2)c(OC)c1,CID652248,0.0,,0.0,,,,,0.0,,0.0,,,,,,0.0,
COc1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1CC1CCCO1,CID649169,0.0,,,,,,,,,,,,,,0.0,0.0,0.0
CCOc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2CC2CCCO2)cc1,CID653740,0.0,,0.0,,,,0.0,0.0,,0.0,,,,,,,0.0
O=C(CSc1nnc(-c2ccncc2)n1CC1CCCO1)Nc1cccc(O)c1,CID3168401,,,,,,,,,,,0.0,0.0,,,,,
COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccncc2)n1CC1CCCO1,CID653200,0.0,,0.0,0.0,0.0,0.0,,,0.0,,,,,,,,0.0
C/C(=N\Nc1cc(Cl)nc(C)n1)c1ccccc1,CID2842005,,,,,,0.0,,,,,,,,,,,
COc1cc(N/N=C/c2ccc(N(C)C)cc2)ncn1,CID2842091,,,,,,,,,,,,,,,0.0,,
C=CCc1c(C)nc(C)nc1N/N=C/c1ccc(F)cc1,CID3383995,,,,,,,,,,0.0,,,,,,,
COc1ccc(/C=N/Nc2cc(OC)ncn2)cc1,CID2842087,,,,,,,,,,,,,,0.0,,,
CCc1ccc(/C(C)=N/Nc2cc(Cl)nc(C)n2)cc1,CID2842015,,,,,,0.0,,,,,,,,,,,
CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)C1c1ccc(N(C)C)cc1,CID2898516,,0.0,0.0,,0.0,,,,,,,,,,,,0.0
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)C1c1ccccc1,CID2899848,,,,,0.0,,,,,0.0,0.0,,,0.0,,,
Cc1ccc(S(=O)(=O)N2CCN(S(C)(=O)=O)C2c2ccccc2)cc1,CID3680094,,,,0.0,0.0,0.0,,,,,,,,,,,
CCC(=O)Oc1ccc(C2N(C(=O)CC)CCN2S(=O)(=O)c2ccc(C)cc2)cc1OC,CID3242880,,,0.0,,0.0,0.0,0.0,0.0,,,,,0.0,,,0.0,
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)C1c1ccc(OC)cc1,CID2899919,,,,,0.0,,,,,0.0,,,,,,0.0,
CN1CCN(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1,CID840210,,,,,,,,,,,,,,,0.0,,
Cc1c(C(=O)NN2CCN(C)CC2)cccc1[N+](=O)[O-],CID867505,,,,,,0.0,,,,,,,,,,,
CN1CCN(NC(=O)c2cc(Br)ccc2Cl)CC1,CID2953718,,,,,,,,,,,,,,,0.0,,
CN1CCN(NC(=O)c2ccccc2F)CC1,CID1221192,,,,,,0.0,,,,,,0.0,,,,,
CN1CCN(NC(=O)c2cccc(F)c2)CC1,CID903470,,,,,,0.0,,,,,,,,,,,
Cc1ccccc1OCC(=O)Nc1ccccc1N1CCCCC1,CID2114488,0.0,,,,,0.0,,0.0,,,,0.0,0.0,,,0.0,0.0
Cc1cccc(OCC(=O)Nc2ccccc2N2CCCCC2)c1,CID889075,,,,0.0,,,,,,,,0.0,,,,,0.0
Cc1cc(C)cc(OCC(=O)Nc2ccccc2N2CCCCC2)c1,CID889907,,,,,,,,,,,,0.0,,,,,
Cc1ccccc1OCC(=O)Nc1ccccc1N1CCC(C)CC1,CID953646,,,,,,,,,,,,,,0.0,,,
O=C(COc1ccccc1)Nc1ccccc1N1CCCCC1,CID969068,0.0,,,,,,,,,,,,,,0.0,,
COCCn1nnnc1C(c1ccc(OC)c(OC)c1)N1CCN(c2nc3ccccc3s2)CC1,CID646125,,0.0,,,,,,,,,0.0,,0.0,,,,0.0
COc1ccc(C(c2nnnn2C(C)(C)C)N2CCN(c3nc4ccccc4s3)CC2)cc1,CID654457,0.0,0.0,,,0.0,,,,,,,,,,,,
COc1cc(C(c2nnnn2C(C)(C)C)N2CCN(c3nc4ccccc4s3)CC2)ccc1O,CID646829,0.0,,0.0,,,,,,,,,,,,,0.0,
CCC(C)(C)n1nnnc1C(c1ccc(O)c(OC)c1)N1CCN(c2nc3ccccc3s2)CC1,CID655486,0.0,,,,,,,,,,0.0,,0.0,,,0.0,
COc1ccc(C(c2nnnn2C(C)(C)C)N2CCN(c3nc4ccccc4s3)CC2)cc1OC,CID650775,0.0,,,,,,,,,,,,0.0,,,0.0,
CCOC(=O)c1c(=O)n(O)c2ccc(C)cc2[n+]1[O-],CID659934,,,,,,,,,,,,,,,,0.0,
COC(=O)c1c(=O)n(O)c2ccc(OC)cc2[n+]1[O-],CID659722,,,,,,,,0.0,,,,,,,,0.0,
CCOC(=O)COn1c(=O)c(C)[n+]([O-])c2ccccc21,CID710913,,,,,,,,,,0.0,,,,,,,
CCOC(=O)COn1c(=O)c[n+]([O-])c2ccccc21,CID876988,,,0.0,,,,0.0,,,,0.0,,,,,,
C=CCOn1c(=O)c(C)[n+]([O-])c2ccccc21,CID2199456,,,,,,0.0,,0.0,,,,,,,,0.0,
CCC(C)(C)NC(=O)C(c1cccn1C)N(C(=O)Cn1nnc2ccccc21)c1ccc(F)cc1,CID647258,,,0.0,,,,,,,,,0.0,,,0.0,,
CCC(C)(C)NC(=O)C(c1cccn1C)N(C(=O)Cn1nnc2ccccc21)c1ccc(OC)cc1OC,CID3198752,,,,,,,,,,0.0,,0.0,,,,,
CCC(C)(C)NC(=O)C(c1cccn1C)N(C(=O)Cn1nnc2ccccc21)c1ccc(OC)cc1,CID646046,0.0,,,,,,,,,0.0,,0.0,0.0,,,,0.0
CCOc1ccc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NC(C)(C)CC)c2cccn2C)cc1,CID3198745,,,,,,,,,,0.0,,,,,,,
CCC(C)(C)NC(=O)C(c1cccn1C)N(C(=O)Cn1nnc2ccccc21)c1ccccc1OC,CID646963,0.0,,,,,,,,,0.0,,,,,0.0,,0.0
CC1Cc2cc(C(=O)O)ccc2O1,CID647255,,,,0.0,,,,,,,,,,,,0.0,
CC(C)NC(=O)NC(=O)COc1cccc2c1OC(C)(C)C2,CID2998249,0.0,,,,,0.0,,,,,,0.0,,,,0.0,
COc1cc2c(cc1/C=C/C(=O)O)OC(C)C2,CID6235447,,,,,,,,,,,,,,,0.0,,
CC1(C)Cc2cccc(OCC(=O)O)c2O1,CID2999879,,,0.0,,,,,,,,,,0.0,0.0,,,
CC1(C)Cc2cccc(OCC(N)=O)c2O1,CID4565165,,,,,,,,,,,,,,,0.0,,
O=C(Nc1scc(-c2ccccc2)c1C(=O)O)c1ccco1,CID647256,0.0,,,,,,,,0.0,0.0,0.0,,,,,0.0,
COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1ccco1,CID843060,,,,,,,,,0.0,,,,,,,,
CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1ccco1,CID979432,,,,,,0.0,,,,,,,,,,,
O=C(Nc1scc(-c2ccc(F)cc2)c1C(=O)O)c1ccco1,CID2059539,,,,,,,,0.0,,,,,0.0,,,,
COC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccco1,CID703868,0.0,,,,0.0,,,,,,,,,0.0,,,
CCOC(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1,CID3244019,,,0.0,,0.0,,,,,0.0,,,,,,,
Cc1cc(C)cc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1,CID3237890,,,,0.0,0.0,,,,0.0,,0.0,,0.0,,,0.0,0.0
Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1,CID3245865,,,0.0,,,,,0.0,,,,,,,,0.0,
Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c(C)c1,CID3244678,,0.0,,0.0,0.0,,,,,,,0.0,,,,0.0,
Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1C,CID3240362,,,,0.0,0.0,,,,,,,,,,,0.0,
COc1cccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)c1,CID1905545,,,,,,0.0,,,,,,,,,,,
CCN(CC)c1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)cc1,CID1631886,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)cc1,CID2269550,,,,,,0.0,,,,,,,,,,,
Cc1cccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)c1C,CID1901686,,,,,,0.0,,,,,,,,,,,
O=C1/C(=C/c2ccc3c(c2)OCO3)SC(=S)N1c1ccc(F)cc1,CID2060022,,,,,,0.0,,,,,,,,,,,
COc1ccc(C)cc1-n1nnnc1SCC(=O)Nc1cc(C)on1,CID2608676,,0.0,,,0.0,,,,,,,,0.0,,,0.0,
CCOc1ccccc1-n1nnnc1SCC(=O)Nc1cc(C)on1,CID2613812,,0.0,,,0.0,,,0.0,,,0.0,,,,,0.0,
COc1ccccc1-n1nnnc1SCC(=O)Nc1cc(C)on1,CID1263733,,,,0.0,0.0,,,,,,,,,,0.0,,
COC(=O)c1cccc(-n2nnnc2SCC(=O)Nc2cc(C)on2)c1,CID647435,,0.0,,,0.0,,,,,,,,,,,0.0,
Cc1cc(NC(=O)CSc2nnnn2-c2ccccc2)no1,CID702084,,,,,,,,,,,,,,,0.0,,
CC(C)Oc1ccc(C(=O)NC2(C(F)(F)F)N=C3SCCN3C2=O)cc1,CID4033942,,,,,,,,,,,,0.0,,,,,
Cc1ccc(C(=O)NC2(C(F)(F)F)N=C3SCCN3C2=O)cc1,CID3757861,,,,,,,,,,,,,,0.0,,,
COc1cccc(C(=O)NC2(C(F)(F)F)N=C3SCCN3C2=O)c1,CID663737,0.0,0.0,,,0.0,,,0.0,0.0,0.0,,,,,,,0.0
COc1ccc(C(=O)NC2(C(F)(F)F)N=C3SCCN3C2=O)cc1,CID662808,0.0,0.0,,,0.0,,,,0.0,0.0,,,,,,,0.0
O=C(NC1(C(F)(F)F)N=C2SCCN2C1=O)c1ccccc1,CID2962300,,,,,,,,,,0.0,,,,,,,
CCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccccc2Br)cc1,CID1011742,,,,,,,,,,,,0.0,,,,,
O=C(NNC(=O)c1ccccc1O)c1ccc(Cl)cc1,CID2766759,,,,,,,,,,,,0.0,,,,,
Cc1cccc(C(=O)NNC(=O)c2ccc(Br)cc2)c1,CID824404,,,,,,,,,,,,,,,0.0,,
CC(C)(C)N(NC(=O)c1ccccc1)C(=O)c1ccccc1,CID86307,,,,,,0.0,,,,,,0.0,,,,,
COc1ccc(C(=O)NNC(=O)c2cccc(F)c2)cc1,CID789865,,,,,,,,,,,,,,,0.0,,
Cc1csc(NC(=O)C2CCCCC2C(=O)O)n1,CID2885889,,0.0,0.0,0.0,,,,,,,,,,,,,
CCOC(=O)c1csc(NC(=O)C2CCCCC2)n1,CID2326373,,,,0.0,,,,,,0.0,,0.0,,,,0.0,
Cc1nc(NC(=O)C2CCCCC2)sc1C,CID903390,,,,,,,,,,,,,,0.0,0.0,,
CCOC(=O)Cc1csc(NC(=O)C2CCCCC2C(=O)O)n1,CID3239655,,,,,,,,0.0,0.0,,,,,,,,
O=C(O)C1CCCCC1C(=O)Nc1nccs1,CID260992,,0.0,,0.0,,,,,,,,,,,,,
COCCOC(=O)C1=C(C)NC(SCC(=O)NC(C)(C)C)=C(C#N)C1c1ccco1,CID661453,,,,,0.0,,,0.0,0.0,,0.0,,,,,0.0,
CC1=C(C(N)=O)C(c2ccc(C)o2)C(C(N)=O)=C(C)N1,CID965836,,,,0.0,0.0,,,,,,,,0.0,,,0.0,
C=CCOC(=O)C1=C(C)NC(SCC(=O)N(CC)CC)=C(C#N)C1c1ccco1,CID661357,,,0.0,,0.0,,0.0,,,,,,,0.0,,,
CCN(CC)C(=O)CSC1=C(C#N)C(c2ccco2)C(C(=O)OCCOC)=C(C)N1,CID661344,,0.0,0.0,,0.0,,,,,,,,,,,0.0,0.0
CC1=C(C(N)=O)C(c2ccco2)C(C(N)=O)=C(C)N1,CID675065,,,,,0.0,,,0.0,,,,,0.0,,,,
Cc1cccc(CS(=O)(=O)Cc2ccc(C(=O)O)o2)c1,CID3241507,,,,,,,,0.0,,,,0.0,,,,,
COCCCNC(=O)c1ccc(CS(=O)(=O)Cc2cccc(C)c2)o1,CID3240384,,,,0.0,,,,,0.0,0.0,,,,,0.0,0.0,
CCOCCCNC(=O)c1ccc(CS(=O)(=O)Cc2ccccc2F)o1,CID5049847,,,,,,,,,,,,0.0,,,,,
CCOCCCNC(=O)c1ccc(CS(=O)(=O)Cc2cccc(C)c2)o1,CID3241769,,,0.0,0.0,,0.0,,,0.0,0.0,,,,,,0.0,
CCOCCCNC(=O)c1ccc(CS(=O)(=O)Cc2ccc(C)cc2)o1,CID3239109,,,,,,,0.0,0.0,,,,,,,,0.0,0.0
Nc1nn(S(=O)(=O)c2cccc3nsnc23)cc1-c1ccc(Br)cc1,CID1258047,,,,,,,0.0,,0.0,,0.0,,,,,,
Cc1ccc(-c2cn(S(=O)(=O)c3cccc4nsnc34)nc2N)cc1,CID1257172,,,,0.0,0.0,,,,0.0,,,,,,,0.0,0.0
CCOc1cc(-c2cn(S(=O)(=O)c3cccc4nsnc34)nc2N)cc(OCC)c1OCC,CID2238139,,,,,,,,,0.0,,0.0,0.0,,,,,
CCOc1ccc(-c2cn(S(=O)(=O)c3cccc4nsnc34)nc2N)cc1,CID1248587,,0.0,,0.0,0.0,,,,0.0,0.0,,0.0,,,,0.0,0.0
COc1cc(-c2cn(S(=O)(=O)c3cccc4nsnc34)nc2N)cc(OC)c1OC,CID2223423,,,,,,,,,0.0,,0.0,0.0,,,,,
COc1ccc(N2CCN(C(=O)CN3C(=O)c4ccccc4S3(=O)=O)CC2)cc1,CID1006756,,,0.0,,,,0.0,,,,,,,,,,0.0
O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCN(c2ccccc2F)CC1,CID644612,,,0.0,,,,,,,,,,,0.0,,,
O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCN(c2ccccc2)CC1,CID1309065,,,,,,,,,,,,,,,,0.0,
O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCN(c2cccc(Cl)c2)CC1,CID1303740,,0.0,0.0,,0.0,,,,,,,0.0,,,,,0.0
O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCN(c2ccc(F)cc2)CC1,CID653363,,,,0.0,,,,,,,,,,0.0,,,
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C(C)Oc3ccc(Cl)cc3)cc2)no1,CID5022034,,,,,,0.0,,,,,0.0,,,,,,
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2)no1,CID644805,0.0,,,,0.0,,,,0.0,0.0,,0.0,,,,,0.0
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3Cl)cc2)no1,CID1014099,,,0.0,,0.0,,,,0.0,,0.0,0.0,0.0,,,,0.0
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3C(C)C)cc2)no1,CID1015460,,,,,,,,,0.0,,0.0,,,,,,0.0
Cc1ccc(OC(C)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1,CID2979403,,,,,,,,,0.0,0.0,0.0,,,,,,
COc1ccc(CCNC(=O)C2CCN(Cc3nc(-c4ccc(Cl)cc4)oc3C)CC2)cc1OC,CID3243312,0.0,,,,,,,,,,,,,,,,
COc1ccc(CCNC(=O)C2CCN(Cc3nc(-c4cccc(Cl)c4)oc3C)CC2)cc1OC,CID3244095,0.0,,,,,,,,,,,,0.0,0.0,,,
CCc1ccc(-c2nc(CN3CCC(C(=O)NCCc4ccc(OC)c(OC)c4)CC3)c(C)o2)cc1,CID3241384,0.0,,,,,,,,,,,,,,,,0.0
COc1ccc(CCNC(=O)C2CCN(Cc3nc(-c4ccccc4C)oc3C)CC2)cc1OC,CID3243525,,0.0,,,,0.0,,0.0,,,,,,,,,
COc1ccc(CCNC(=O)C2CCN(Cc3nc(-c4ccccc4F)oc3C)CC2)cc1OC,CID3243021,0.0,,0.0,,,,,0.0,,,,,,,,,
COc1ccc2cc(CN(CC3CCCO3)C(=O)Nc3ccccc3OC)c(=O)[nH]c2c1,CID3194767,,,,,,,,,,,,,,,0.0,,
COc1ccc2[nH]c(=O)c(CN(CC3CCCO3)C(=O)Nc3ccccc3OC)cc2c1,CID652814,,,0.0,0.0,,,,,0.0,,,,,,,,0.0
COc1ccc(NC(=O)N(Cc2cc3cc(OC)ccc3[nH]c2=O)CC2CCCO2)cc1,CID649027,,,,0.0,,,,,0.0,,,0.0,0.0,,,,0.0
COc1ccccc1NC(=O)N(Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)CC1CCCO1,CID651956,,,0.0,,,,,,0.0,,0.0,0.0,0.0,,,,
COc1ccc2[nH]c(=O)c(CN(CC3CCCO3)C(=O)Nc3ccccc3)cc2c1,CID648233,0.0,,,,,0.0,,0.0,,,0.0,,,,,,0.0
Cc1ccc(-n2[nH]c(C)c3c(C)cc(=O)nc2-3)cc1,CID2224694,,,,,,,,,,,,,,,0.0,,
Cc1[nH]n(-c2ccccc2)c2nc(=O)c(C)c(C)c1-2,CID686363,,,,,,,,,,,,,,,,0.0,
CCc1c(C)c2c(C)[nH]n(-c3ccccc3)c-2nc1=O,CID875432,,,,,,,0.0,0.0,,,,,,,,,0.0
CCOC(=O)CCc1c(C)c2c(C)[nH]n(-c3ccccc3)c-2nc1=O,CID6324560,,,,,,,0.0,,,,,,,,,,
Cc1cc(=O)nc2n(-c3ccccc3)[nH]c(C)c1-2,CID2306612,,,,0.0,,,0.0,0.0,,0.0,0.0,,0.0,,,0.0,
COC(=O)CSc1nc(SCc2ccccc2Cl)nc2c1CCCC2,CID1484732,,,,,,,,,,,,,,0.0,,,
O=C(O)CSc1nc(SCc2ccccc2Cl)nc2c1CCCC2,CID4594148,,,,,,,,,,,,,,0.0,,,
Cc1ccc(CSc2nc3c(c(N(C)C)n2)CCCC3)cc1,CID3562030,,,,,,,,,,,,0.0,,,,,
CNc1nc(SCc2ccc(C)cc2)nc2c1CCCC2,CID1480180,,,,,,0.0,,,,,,0.0,,,,,
Cc1ccc(CSc2nc3c(c(SCC(=O)O)n2)CCCC3)cc1,CID1484658,,,,,,0.0,,,,,,,,0.0,0.0,,
Cc1ccc(N(C(=O)c2ccc3c(c2)OCO3)C2C=CS(=O)(=O)C2)cc1,CID3238510,,,,0.0,,,,0.0,,,,,0.0,,0.0,0.0,
O=C(c1ccc2c(c1)OCO2)N(c1ccccc1)C1C=CS(=O)(=O)C1,CID2983812,,,,,,,0.0,,0.0,,,,,,,0.0,
Cc1cc(C)cc(N(C(=O)c2ccc3c(c2)OCO3)C2C=CS(=O)(=O)C2)c1,CID3239473,,0.0,0.0,,,,0.0,0.0,,0.0,,,,,,,
O=C(c1ccc2c(c1)OCO2)N(c1ccc(Cl)cc1)C1C=CS(=O)(=O)C1,CID3241893,0.0,,0.0,0.0,,,,,,,,,0.0,,,,
O=C(c1ccc2c(c1)OCO2)N(c1ccc(F)cc1)C1C=CS(=O)(=O)C1,CID3243137,,,,0.0,,,,,,,,0.0,,,,,
Cc1nc(NC2=NCN(CCN3CCOCC3)CN2)nc2c(C)cccc12,CID654580,,,0.0,,,,,,0.0,,0.0,0.0,0.0,,,,
Cc1cc2nc(NC3=NCN(CCN4CCOCC4)CN3)nc(C)c2cc1C,CID664190,,0.0,0.0,,,,,,,,0.0,,,,,,
CCc1ccc2nc(NC3=NCN(CCN4CCOCC4)CN3)nc(C)c2c1,CID664257,,,,,,,,,,,0.0,,,,,,
Cc1cc(C)c2nc(NC3=NCN(CCN4CCOCC4)CN3)nc(C)c2c1,CID666484,,,0.0,0.0,,,,,,,0.0,,0.0,,,,
Cc1ccc2nc(NC3=NCN(CCN4CCOCC4)CN3)nc(C)c2c1,CID655606,,0.0,,0.0,,,,,,,,,,,,0.0,
CC(C)C(OC(=O)c1ccco1)C(=O)NC1CCCCC1,CID654589,,,,,,,0.0,,,,,,,,,0.0,
O=C(COC(=O)c1ccc(Br)o1)NC1CCCCC1,CID2360500,,,,,,,,,,,,,,0.0,,,
O=C(COC(=O)c1ccco1)NC1CCCCC1,CID654327,,,,,,,,,0.0,0.0,,,,0.0,,,
CC(C)CC(OC(=O)c1ccco1)C(=O)NC1CCCCC1,CID647849,,,,,,,,0.0,,,,,,0.0,,0.0,0.0
CC(OC(=O)c1ccco1)C(=O)NC1CCCCC1,CID650017,,,,,,,,,0.0,,,,0.0,,,0.0,0.0
O=C1CCCC2=C1C(c1ccccc1)C1=C(CCCC1=O)O2,CID340151,,,,0.0,,,0.0,0.0,0.0,0.0,0.0,,,,,0.0,0.0
CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(O)cc1O,CID991372,,,,,,0.0,,0.0,,,,,,,,,
CCc1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1,CID748688,,,,,,,,,,,,,,0.0,,,
O=C1CCCC2=C1C(c1ccccc1O)C1=C(CCCC1=O)O2,CID653090,,,,,,,0.0,,0.0,,,,0.0,,,0.0,
CN(C)c1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1,CID651146,,,,,,,0.0,,,,0.0,,,,,,
CCCCCCN1CC(=O)C(c2nc3ccccc3[nH]2)=C1N,CID2318465,,,,,,,,,,,,,,,,0.0,0.0
CCCCN1CC(=O)C(c2nc3ccccc3[nH]2)=C1N,CID666506,,,,,,,,,,,,,0.0,,,,
CC(C)N1CC(=O)C(c2nc3ccccc3[nH]2)=C1N,CID2310667,,0.0,0.0,,,,0.0,0.0,,0.0,0.0,,0.0,,,0.0,
CCC(C)N1CC(=O)C(c2nc3ccccc3[nH]2)=C1N,CID2998352,,,,,,,0.0,,,,0.0,,,,,,
CC(C)CCN1CC(=O)C(c2nc3ccccc3[nH]2)=C1N,CID1969161,,,,,,,,,,,0.0,,,,,,
COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)C2c2ccco2)c1C,CID5389698,,,,0.0,,,,,,,,,,,,,
COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)C2c2ccc(C)o2)c1C,CID5389816,,,,,,,,0.0,,,,,,,,,
CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2c(C)[nH]c(C(=O)OC)c2C)C1c1ccco1,CID5389668,,,,,,,0.0,,,,,,0.0,,,,
CCOC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)C2c2ccc(C)o2)c1C,CID5389752,,,,,,,,0.0,,,,,,,,,
CCOC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)C2c2ccco2)c1C,CID5389912,,,,0.0,,,,0.0,,,,,,,,,
Cc1ccc2c(c1)N(CC(=O)Nc1ccc3c(c1)OCCO3)C(=O)CO2,CID650930,,,0.0,,,,0.0,,,,,0.0,,,,0.0,
CC1Oc2ccccc2N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O,CID656315,,,,,,,0.0,0.0,,,,0.0,,,,,0.0
O=C(CN1C(=O)COc2ccccc21)Nc1ccc2c(c1)OCCO2,CID653566,,,,,,,0.0,0.0,,,,,0.0,,,0.0,
CCC1Oc2ccccc2N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O,CID652724,,,,,,,0.0,,,,,0.0,,,,0.0,
O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1ccc2c(c1)OCCO2,CID2971923,,0.0,,0.0,,,0.0,,,0.0,,,0.0,,,0.0,0.0
Fc1cccc2sc(N3CCOCC3)nc12,CID3242043,,,,,,,,,,,,,,0.0,,,0.0
Clc1cccc2sc(N3CCOCC3)nc12,CID3237878,,0.0,,0.0,,,,,,,,,,,,,0.0
c1ccc2sc(N3CCOCC3)nc2c1,CID77901,,,,,,,,,,,,0.0,,,,,
Fc1cc(F)c2nc(N3CCOCC3)sc2c1,CID3239426,,,,,0.0,,,,,,,,0.0,,,,0.0
Clc1ccc(Cl)c2sc(N3CCOCC3)nc12,CID3240841,,,,,,,,,,,,,,,,,0.0
Cc1cc2ccccc2c(=O)n1CC(=O)N(C)c1ccc(F)cc1,CID3236221,,,,0.0,,,,0.0,,,,,,,,,
COc1cccc2c(=O)n(CC(=O)Nc3ccccc3)ccc12,CID2145349,,,,,,,,,0.0,0.0,,0.0,,,,,
COc1cccc2c(=O)n(CC(=O)Nc3ccccc3F)ccc12,CID2145361,,,,,,,,,,,,0.0,,,,,
COc1cccc2c(=O)n(CC(=O)Nc3cccc(F)c3)ccc12,CID2145362,,,,,,,0.0,,,,,,,,,,
CCOC(=O)C(C)Oc1cccc2c(=O)n(CC(=O)Nc3ccc(OCC)cc3)ccc12,CID4158022,,,,,,,,,,,,0.0,,,,,
COc1ccccc1-c1noc(-c2ccco2)n1,CID1946188,,,,,,,,,,,,,0.0,,,,
COc1ccc(-c2noc(-c3ccc(Br)o3)n2)cc1OC,CID1297856,,,,,,,0.0,,0.0,,,,,,0.0,,0.0
Brc1ccc(-c2nc(-c3ccccc3)no2)o1,CID752705,0.0,,,,,,,,0.0,,,0.0,,,0.0,0.0,0.0
COc1ccc(-c2noc(-c3ccco3)n2)cc1OC,CID703724,,,,,,,,,,,,,,0.0,,,
COc1cc(-c2noc(-c3ccco3)n2)cc(OC)c1OC,CID666317,0.0,,,,,0.0,,,,,0.0,,0.0,,,,
Cc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCc2ccccc2)CC2CCCO2)cc1,CID645519,,,,,0.0,,,,0.0,0.0,,,0.0,,0.0,,
COc1ccc(CNC(=O)CN(CC2CCCO2)C(=O)CNS(=O)(=O)c2ccc(F)cc2)cc1,CID649746,,,,0.0,0.0,,,,,,,,,,0.0,,
COc1ccc(CNC(=O)CN(CC2CCCO2)C(=O)CNS(=O)(=O)c2ccc(C)cc2)cc1,CID651872,,,,,0.0,,,0.0,0.0,,,,,,,0.0,0.0
COc1ccc(CNC(=O)CN(CC2CCCO2)C(=O)CNS(=O)(=O)c2ccccc2)cc1,CID654623,,,0.0,,0.0,,,,0.0,,0.0,,,,,0.0,
O=C(CN(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccccc1)NCc1ccccc1,CID653793,,,,,0.0,,,,,,,,,,,,0.0
COc1ccc(CCN2C(=O)NC(=O)/C(=C\NCCCN(C)C)C2=O)cc1OC,CID5389569,,,,,,,,,,,,,0.0,,,,
CCN(CC)CCN/C=C1\C(=O)NC(=O)N(CCc2ccccc2)C1=O,CID5389323,,,0.0,,,0.0,,,,,,,,,,,
CN(C)CCCN/C=C1\C(=O)NC(=O)N(CCc2ccc(F)cc2)C1=O,CID5791869,,,,,,,,,,,0.0,,,,,,
CCN(CC)CCCN/C=C1\C(=O)NC(=O)N(CCc2ccc(F)cc2)C1=O,CID5389836,,,,,,,,0.0,,,,,0.0,,,,0.0
COc1ccc(CCN2C(=O)NC(=O)/C(=C\NCCCO)C2=O)cc1OC,CID5389632,,,,,,,,0.0,,,,,0.0,,,,
CCOc1ccc(NC(=O)Cn2nc(-c3ccccc3Cl)n(CC)c2=S)cc1,CID988923,,,,,,0.0,,,,,,,,,,,
CCn1c(-c2ccccc2Cl)nn(CC(=O)Nc2ccc(OC)cc2)c1=S,CID988922,,,,,,,,,,,,,,,0.0,,
COc1ccc(Cl)cc1NC(=O)Cn1nc(-c2ccc(C)cc2)n(C)c1=S,CID988925,,,,,,,,,,,,,,,0.0,,
CCn1c(-c2ccccc2Cl)nn(CC(=O)Nc2ccccc2C)c1=S,CID988917,,,,,,0.0,,,,,,,,,0.0,,
CCn1c(-c2ccccc2Cl)nn(CC(=O)Nc2ccccc2OC)c1=S,CID988924,,,,,,,,,,,,0.0,,,0.0,,
CC1=C(C)/C(=N/OS(=O)(=O)c2ccccc2)C=CC1=O,CID1587413,,,,,,,,,0.0,,,0.0,,0.0,0.0,,
CC1=C(C)/C(=N/OS(=O)(=O)c2ccc(C)cc2)C=CC1=O,CID1587414,,,,,,,,,,,,,,0.0,,,
CC1=CC(=O)C=C(C)C1=NOS(=O)(=O)c1ccccc1,CID2221133,,,,,,,,,0.0,0.0,,0.0,,0.0,,,
CC1=C/C(=N/OS(=O)(=O)c2ccccc2)C=CC1=O,CID2246289,,,,,,,,,0.0,,,0.0,,0.0,,,
CC1=C/C(=N\OS(=O)(=O)c2ccccc2)C(C)=CC1=O,CID2303313,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccc(OCc2nc(C#N)c(N3CCN(Cc4ccccc4)CC3)o2)cc1,CID661551,0.0,0.0,,,,,,0.0,,,0.0,,,,,0.0,0.0
N#Cc1nc(COc2ccc(Cl)cc2)oc1N1CCN(Cc2ccccc2)CC1,CID661392,0.0,0.0,,,,,,,,,,,,0.0,,,0.0
N#Cc1nc(COc2ccccc2)oc1N1CCN(Cc2ccccc2)CC1,CID661499,0.0,0.0,0.0,,,,,0.0,,,,0.0,0.0,,,,
N#Cc1nc(COc2ccc(F)cc2)oc1N1CCN(Cc2ccccc2)CC1,CID661298,0.0,,,,,,,,,,,0.0,,,0.0,,0.0
N#Cc1nc(COc2ccc(Br)cc2)oc1N1CCN(Cc2ccccc2)CC1,CID661311,0.0,,,,,,0.0,,,,,,,,,0.0,0.0
Cc1cccc2c1N(CCOc1ccccc1)C(=O)C2=O,CID2145491,,,,,,,,,,,,,,0.0,,,
Cc1ccc(OCCN2C(=O)C(=O)c3cc(C)ccc32)cc1,CID2145489,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccc(OCCN2C(=O)C(=O)c3cccc(C)c32)cc1,CID2145492,,,,,,,,,,,,,,,0.0,,
Cc1ccc2c(c1)C(=O)C(=O)N2CCOc1ccccc1,CID2130284,,,,,,,,,,,,,,0.0,0.0,,
Cc1cccc(OCCN2C(=O)C(=O)c3cc(C)ccc32)c1,CID2130285,,,,,,,,,,,,,,,0.0,,
COc1ccc(C2(C(N)=O)CCCCC2)cc1OC,CID873166,,,,0.0,,,,,,,0.0,,,,,,
Cc1cc(CN(C)C)c(O)c(C2(C)CCCCC2)c1,CID714483,,,,,,,,,,0.0,,,,,0.0,,
CCCC1CCC(c2ccc(/C(N)=N/O)cc2)CC1,CID5755204,,,,,,,,,,,,,,,0.0,,
O=C(O)CSCC(=O)Nc1ccc(C2CCCCC2)cc1,CID864329,,,,,,,,,0.0,,,,,,,,
O=C(CSCCO)Nc1ccc(C2CCCCC2)cc1,CID2187750,,,0.0,,0.0,,,,,,,,,,,,
Cc1nc(NCCO)c(C#N)c2c1COC(C)(C)C2,CID657529,,0.0,,0.0,,,,,,,,,,,,,
Cc1nc(NCCCO)c(C#N)c2c1COC(C)(C)C2,CID658916,,0.0,,0.0,,,,,,,0.0,,,0.0,,,
Cc1nc(NCCN)c(C#N)c2c1COC(C)(C)C2,CID657454,,,,0.0,,,,,,,,,,,,,
CCc1nc(NCC(C)C)c(C#N)c2c1COC(C)(C)C2,CID658533,,,,,,,,,,,,,,0.0,,,0.0
COC(=O)COc1nc(C)c2c(c1C#N)CC(C)(C)OC2,CID660801,,0.0,,,,,,,,,,,0.0,,,,
c1ccc(-c2nnc3sc(-c4ccncc4)nn23)cc1,CID973057,,0.0,,,0.0,,0.0,,,,,,,,,,
CC(C)(C)c1ccc(-c2nnc3sc(-c4ccncc4)nn23)cc1,CID972495,0.0,0.0,0.0,0.0,,,,,,,,,,,,,
Clc1ccccc1-c1nnc2sc(-c3ccncc3)nn12,CID848732,,,,,0.0,0.0,,,,,0.0,,0.0,,,,0.0
COc1cc(-c2nnc3sc(-c4ccncc4)nn23)cc(OC)c1OC,CID665983,0.0,,0.0,,0.0,,,,,,0.0,,,,,,
Cc1ccc(-c2nnc3sc(-c4ccncc4)nn23)cc1,CID1234098,,0.0,,,0.0,,0.0,,,,0.0,,,,,0.0,
C=CCn1c(COc2ccccc2)nnc1SCc1ccc(C#N)cc1,CID665394,0.0,,,,0.0,,0.0,,,,,,,,,0.0,
CCn1c(COc2ccccc2)nnc1SCc1ccc(C#N)cc1,CID665176,0.0,0.0,,,0.0,,0.0,0.0,,,0.0,,,0.0,,,
CCn1c(COc2ccc(C)cc2)nnc1SCc1ccc(C#N)cc1,CID2045841,,,,,,,,,0.0,,,0.0,,,,,
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc(C#N)cc1,CID666462,0.0,,,,0.0,0.0,,,,,0.0,,0.0,,,,
CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc(C#N)cc1,CID665098,0.0,0.0,,0.0,0.0,,,,,,,0.0,,,0.0,,
CC(=O)Nc1ccc(Nc2nc(C)nc3c2oc2ccccc23)cc1,CID644931,,,,0.0,,,,,,,,,,0.0,,,
Cc1ccc(Nc2ncnc3c2oc2ccccc23)cc1,CID1398093,,,,,,0.0,,,,,,,,,,,
COc1ccc(Nc2ncnc3c2oc2ccccc23)cc1,CID1399583,0.0,,,0.0,0.0,,,,,0.0,,0.0,0.0,0.0,,0.0,
CC(=O)c1ccc(Nc2ncnc3c2oc2ccccc23)cc1,CID664139,0.0,,0.0,,0.0,0.0,,,0.0,,,0.0,,,0.0,,
c1ccc(Nc2ncnc3c2oc2ccccc23)cc1,CID621402,,,,,,,,,,,,,,,,0.0,
Cc1nnc(SCC(=O)N(C)C2CCCCC2)s1,CID1152793,,,,,,,,,,,,,,0.0,0.0,,
CC1CCCCC1NC(=O)CSc1nnc(N)s1,CID2953194,,,0.0,,0.0,,,,,0.0,0.0,,,,,,
CC1CCCC(NC(=O)CSc2nnc(N)s2)C1C,CID2998890,,,,,,0.0,0.0,,,0.0,,0.0,,,,,
CC1CCCCC1NC(=O)CSc1nncs1,CID2999746,0.0,,0.0,0.0,0.0,,0.0,,,0.0,,,0.0,,,,
Nc1nnc(SCC(=O)NC2CCCCC2)s1,CID886847,,,,,,,,,,0.0,,,,,,,
CCc1nnc(NC(=O)CSc2nnc(-c3ccoc3C)n2-c2ccccc2)s1,CID652083,,0.0,,0.0,,0.0,,,,,,0.0,,,,0.0,
Cc1ccc(C)c(-n2c(SCC(=O)Nc3nnc(C)s3)nnc2-c2ccoc2C)c1,CID645457,,0.0,0.0,0.0,,,,,,,,0.0,,,,0.0,0.0
CCc1nnc(NC(=O)CSc2nnc(-c3ccoc3C)n2-c2cccc(C)c2)s1,CID650988,,,,,,0.0,,,,,,0.0,0.0,,,0.0,0.0
Cc1cccc(-n2c(SCC(=O)Nc3nnc(C)s3)nnc2-c2ccoc2C)c1,CID651819,,,,,,0.0,,,,,,,,,,0.0,0.0
CCc1nnc(NC(=O)CSc2nnc(-c3ccoc3C)n2-c2ccc(C)cc2)s1,CID645856,,,0.0,,,,,,,,,,0.0,,,0.0,0.0
CN(CC(=O)Nc1nc2ccccc2s1)S(=O)(=O)c1ccccc1,CID2219880,0.0,,0.0,0.0,0.0,,0.0,,0.0,0.0,0.0,,0.0,0.0,,0.0,
CN(CC(=O)Nc1nc2ccc(F)cc2s1)S(=O)(=O)c1ccc(Cl)cc1,CID2093093,,,,,,,,,0.0,,,,,,,,
CN(CC(=O)Nc1nc2ccccc2s1)S(=O)(=O)c1ccc(Br)cc1,CID2233708,,,,,,,,,0.0,,,,,,,,
Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2nc3ccccc3s2)cc1,CID1093251,0.0,0.0,0.0,0.0,0.0,,0.0,,,0.0,,,0.0,,,,0.0
CN(CC(=O)Nc1nc2ccccc2s1)S(=O)(=O)c1ccc(Cl)cc1,CID2399136,,,,,,,,,0.0,,,,,,,,
Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nnc(C(C)C)s1,CID1291335,,0.0,0.0,,0.0,,,,,,0.0,,0.0,,0.0,,1.0
Cc1nnc(NC(=O)c2c(-c3ccccc3Cl)noc2C)s1,CID690605,,,,,,,,,,,,,,,0.0,,
Cc1nnc(NC(=O)c2c(-c3ccccc3)noc2C)s1,CID700922,,,,,,,,,,,,,,,0.0,,
CCC(CC)c1nnc(NC(=O)c2c(-c3ccccc3)noc2C)s1,CID1086923,0.0,,,0.0,,0.0,0.0,,,,0.0,,0.0,,,0.0,0.0
CCSc1nnc(NC(=O)c2c(-c3ccccc3Cl)noc2C)s1,CID1221347,,,,,,,,,0.0,,,0.0,0.0,0.0,,,0.0
Cc1ccc2cc(C#N)c(SCC(=O)NCC3CCCO3)nc2c1C,CID653971,,0.0,0.0,,,0.0,0.0,,,0.0,,,,,,0.0,
Cc1cccc2cc(C#N)c(SCC(=O)NCC3CCCO3)nc12,CID3207680,,,,,,,,,0.0,,,,,,0.0,,
Cc1ccc2nc(SCC(=O)NCC3CCCO3)c(C#N)cc2c1,CID646655,,0.0,,,,0.0,,,0.0,,,,,,,0.0,
Cc1ccc2cc(C#N)c(SCC(=O)NCC3CCCO3)nc2c1,CID651309,,0.0,,,,,0.0,,,,,,,,,,
Cc1cc(C)c2cc(C#N)c(SCC(=O)NCC3CCCO3)nc2c1,CID648939,,,,,,,0.0,,0.0,,0.0,,,,,,
CCn1c(Cn2nnc(-c3ccccc3)n2)nnc1SCC(=O)Nc1ccccc1,CID652620,0.0,0.0,,,0.0,,,,,,,,0.0,,,,
CCn1c(Cn2nnc(-c3ccccc3)n2)nnc1SCC(=O)Nc1cccc(C(C)=O)c1,CID651886,,0.0,,,0.0,,,,,,0.0,,0.0,,0.0,0.0,
CCn1c(Cn2nnc(-c3ccccc3)n2)nnc1SCC(=O)Nc1cccc(C)c1C,CID649024,0.0,0.0,,,0.0,,,,,,0.0,,,,,,
CCn1c(Cn2nnc(-c3ccccc3)n2)nnc1SCC(=O)Nc1ccc(C(C)=O)cc1,CID653469,,,,,0.0,,,,,,,,,,,,
CCn1c(Cn2nnc(-c3ccccc3)n2)nnc1SCC(=O)Nc1ccc(N(C)C)cc1,CID646965,,,,,0.0,,,,,,0.0,,0.0,,,,
O=C(CN(C(=O)CNC(=O)c1ccco1)c1ccc(Cl)cc1)NC1CCCCC1,CID655536,0.0,,,,,,,,,,,,,,,0.0,0.0
O=C(CN(C(=O)CNC(=O)c1ccco1)c1ccc(Cl)c(Cl)c1)NC1CCCCC1,CID656329,0.0,,,,,,,,,,,,,,,,
COc1ccc(N(CC(=O)NC2CCCCC2)C(=O)CNC(=O)c2ccco2)cc1OC,CID3211878,,,,,,,,,0.0,0.0,,0.0,,,,,
CCOc1ccccc1N(CC(=O)NC1CCCCC1)C(=O)CNC(=O)c1ccco1,CID3211875,,,,,,,,,0.0,0.0,,0.0,,,,,
CCOc1ccc(N(CC(=O)NC2CCCCC2)C(=O)CNC(=O)c2ccco2)cc1,CID3211876,,,,,,,,,0.0,0.0,,,,,,,
CCOc1ccc(S(=O)(=O)N2CCCCC2)c2ccccc12,CID772123,,,,,,,,,0.0,,,,0.0,,,,0.0
COc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)c2ccccc12,CID849962,,,,0.0,0.0,,0.0,0.0,,,,,,,,0.0,
CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(OC)c3ccccc23)C1,CID2955240,,,,,,,,0.0,0.0,0.0,,,0.0,,,0.0,0.0
CCOc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)c2ccccc12,CID1261030,,,,,0.0,,0.0,,0.0,,,,,,,0.0,0.0
O=S(=O)(c1ccc(F)c2ccccc12)N1CCCCC1,CID558772,,,,0.0,,0.0,0.0,0.0,,,,,,,,,
CCOc1ccc(CC(=O)NNC(=S)Nc2ccccc2)cc1Br,CID1246027,,,,,,,,,,,,0.0,,0.0,,,
CCCOc1ccc(CC(=O)NNC(=S)Nc2ccccc2)cc1Br,CID3100223,,,,,,,,,0.0,,0.0,,,,,,
CCOc1ccc(CC(=O)NNC(=S)Nc2ccc(OC)c(OC)c2)cc1,CID2206292,,,,,,,,,,,,,,0.0,,,
COc1ccc(CC(=O)NNC(=S)Nc2ccc(Br)cc2)cc1,CID2210504,,,,,,,,,0.0,,0.0,,,,,,
COc1ccc(CC(=O)NNC(=S)Nc2ccccc2)cc1Br,CID1237214,,,,,,,,,,,,,,0.0,,,
CCN1CCN(Cc2ccc(NC(=O)Nc3ccccc3)cc2)CC1,CID5307426,,,,,,,0.0,,,,,,,,,,
CCN1CCN(Cc2ccc(NC(=O)Nc3ccccc3Cl)cc2)CC1,CID5307266,0.0,,0.0,,,,,,,,,,,,,,
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(OC)cc3)cc2)CC1,CID5307861,,,,,,,,0.0,,,0.0,,,,,0.0,
CCN1CCN(Cc2ccc(NC(=O)Nc3ccccc3OC)cc2)CC1,CID5307237,0.0,,,,,,,,,,,,,,,0.0,
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(SC)cc3)cc2)CC1,CID2968707,,,,,,,0.0,,,0.0,0.0,,,,,0.0,
COc1ccc(/C(N)=N/OC(=O)Cc2ccccc2OC)cc1,CID9587234,,,,,,0.0,,,,,,,,,,,
Cc1cccc(/C(N)=N/OC(=O)Cc2ccc(Cl)cc2)c1,CID5346386,,,,,,0.0,,,,,,,,,,,
CCC(C(=O)O/N=C(\N)c1ccc(C)cc1)c1ccccc1,CID5891272,,,,,,,,,,0.0,,,,,,,
N/C(=N\OC(=O)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1,CID2913052,,,,,,,,,,,,,,,0.0,,
COc1ccc(/C(N)=N/OC(=O)Cc2ccc(OC)c(OC)c2)cc1,CID5348564,,,,,,0.0,,,,,,,,,,,
CCc1[nH]nc2c1C(Cc1ccccc1)C(C#N)=C(N)O2,CID2961878,,,,,,,,,,,0.0,,,,,,
CC(C)c1[nH]nc2c1C(Cc1ccccc1)C(C#N)=C(N)O2,CID650081,,0.0,0.0,0.0,,,0.0,0.0,0.0,,0.0,,,,,0.0,
Cc1[nH]nc2c1C(Cc1ccccc1)C(C#N)=C(N)O2,CID2999389,,,,,,,,0.0,,,0.0,,,,,,
CC(C)(C)c1[nH]nc2c1C(Cc1ccccc1)C(C#N)=C(N)O2,CID660671,,0.0,,,,,,,0.0,,0.0,,,,,0.0,
CCCc1[nH]nc2c1C(Cc1ccccc1)C(C#N)=C(N)O2,CID644636,,,0.0,,,,,0.0,,,,,,,,0.0,
CCOC(=O)N1CCC(Nc2cccc(SC)c2)CC1,CID868360,0.0,,,,0.0,,0.0,,,,,,,,,,0.0
CN1CCC(Nc2cccc(F)c2)CC1,CID868430,,,,,,,,,,,,0.0,,,,,
CCOc1ccc(NC2CCN(C(C)=O)CC2)cc1,CID5308233,,,0.0,,,0.0,,,,,,,,,,0.0,
CC(=O)N1CCC(Nc2ccc(C)cc2)CC1,CID5307205,,,,,,,,,,,,,,,,0.0,
CCCCN1CCC(C#N)(Nc2ccccc2)CC1,CID653185,,,0.0,0.0,,,0.0,,,,,0.0,,,,0.0,
O=c1c2ccccc2nc(-c2ccco2)n1-c1ccc(Br)cn1,CID651941,0.0,,,,,,0.0,,0.0,,0.0,0.0,,,,0.0,
Cc1cccc(-n2c(-c3ccco3)nc3ccccc3c2=O)n1,CID827877,0.0,0.0,,,,,,,,,0.0,,,0.0,0.0,0.0,
Cc1ccnc(-n2c(-c3ccco3)nc3ccccc3c2=O)c1,CID645426,0.0,,0.0,,,,0.0,0.0,,,,,,,,,
O=c1c2ccccc2nc(-c2ccco2)n1-c1ccccn1,CID829486,0.0,,,0.0,,0.0,0.0,,,,,,0.0,,,,0.0
Cc1cccnc1-n1c(-c2ccco2)nc2ccccc2c1=O,CID829489,0.0,0.0,,,,,0.0,,,,0.0,,,,,,
COC(CNC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)OC,CID4344591,,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1,CID687304,,,,,,,,,,,,,,0.0,,,
C=CCNC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1,CID5261757,,,,,,0.0,,,,,,,,,,,
COc1ccccc1-c1nc2ccccc2nc1-c1ccccc1OC,CID774402,,,,,,,,,,,,,,,0.0,,
Cc1ccc(-c2nc3ccc(C(=O)O)cc3nc2-c2ccc(C)cc2)cc1,CID1381187,,,,,,,,,,,,0.0,,,,,
CCOC(=O)N1CCN(c2cc(=O)n(-c3ccc(OC)cc3)c(=O)[nH]2)CC1,CID3243733,,,,,,,0.0,,,0.0,,,,,,0.0,
CCOC(=O)N1CCN(c2cc(=O)n(-c3ccc(OCC)cc3)c(=O)[nH]2)CC1,CID3245526,,,,0.0,,,,,,,,,,,,,
CN1CCN(c2cc(=O)n(-c3ccc(Cl)cc3)c(=O)[nH]2)CC1,CID4622527,0.0,,,,,,,,,,,,,,,,
CCOC(=O)N1CCN(c2cc(=O)n(-c3ccccc3Cl)c(=O)[nH]2)CC1,CID5310566,,,,0.0,,,,,,,,,0.0,,,,
CCN1CCN(c2cc(=O)n(-c3cc(Cl)ccc3C)c(=O)[nH]2)CC1,CID3235600,,0.0,,,,0.0,,,,,,,,,,0.0,0.0
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(Cc2ccccc2)CC1,CID814715,,,,,,,,,,,,,,0.0,,,
O=C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCC(Cc2ccccc2)CC1,CID3105413,,,,,,,,,,,,,,0.0,,,
COc1cc(C(=O)N2CCC(Cc3ccccc3)CC2)c([N+](=O)[O-])cc1OC,CID1352538,,,,,,0.0,,,,,,,,,,,
Cc1cc(C(=O)N2CCC(Cc3ccccc3)CC2)ccc1[N+](=O)[O-],CID786990,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1[N+](=O)[O-],CID694571,,,,,,,,,,,,,,0.0,,,
O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)N1CCN(c2ccccc2)CC1,CID2129280,0.0,0.0,,,,,,,,,0.0,,,,,,0.0
Cc1ccc(-c2nnc(SCC(=O)N3CCN(c4ccccc4)CC3)o2)cc1,CID656344,0.0,,0.0,,0.0,,,,,,,,,,,,0.0
COc1ccc(-c2nnc(SCC(=O)N3CCN(c4ccccc4)CC3)o2)cc1OC,CID2155755,,,0.0,,0.0,,,,,0.0,,,,,,0.0,0.0
O=C(CSc1nnc(-c2ccccc2)o1)N1CCN(c2ccccc2)CC1,CID2155684,0.0,0.0,,,0.0,,0.0,,,,,,,,,0.0,
CCOc1ccc(-c2nnc(SCC(=O)N3CCN(c4ccccc4)CC3)o2)cc1,CID2155741,0.0,0.0,,,,,,,,,0.0,,,,,,0.0
CC1(C(=O)NC2CCCC2)CCC(=O)N1Cc1ccccc1,CID3241770,0.0,0.0,,,,,0.0,,,,,0.0,,,,,
CC1(C(=O)NC2CCCC2)CCC(=O)N1Cc1ccccc1Cl,CID4103165,,,,,,,,,,,,,,0.0,,,
COc1ccc(CN2C(=O)CCC2(C)C(=O)NC2CCCC2)c(OC)c1,CID4105697,0.0,,,,,,,,,,,,0.0,,,,
Cc1ccc(CN2C(=O)CCC2C(=O)NC2CCCC2)cc1,CID3244375,0.0,,0.0,0.0,,,,,,,0.0,,,,,,
CCc1ccc(CN2C(=O)CCC2(C)C(=O)NC2CCCC2)cc1,CID3238695,0.0,0.0,,0.0,,0.0,,,,,,0.0,,,,,0.0
c1ccc(Oc2ncnc3oc(-c4ccccc4)cc23)cc1,CID4639010,,,,,,0.0,,,,,,,,,,,
Cc1cccc(Oc2ncnc3oc(-c4ccccc4)cc23)c1C,CID3775786,,,,,,,,,,,,0.0,,0.0,,,
Clc1ccc(Oc2ncnc3oc(-c4ccccc4)cc23)cc1,CID3794166,,,,,,0.0,,,,,,,,,,,
Cc1ccccc1Oc1ncnc2oc(-c3ccccc3)cc12,CID3825639,,,,,,,,,,,,0.0,,,,,
Cc1cc(Cl)ccc1Oc1ncnc2oc(-c3ccccc3)cc12,CID3849813,,,,,,0.0,,,,,,,,,,,
Cc1ccc(S(=O)(=O)/N=C(/c2ccc(Cl)cc2)N2CCOCC2)cc1,CID1347723,,,,,,,,,,,,,,,0.0,,
O=S(=O)(/N=C(/c1ccc(Cl)cc1)N1CCOCC1)c1ccccc1,CID1125990,,,,,,,,,,,,,,,0.0,,
O=S(=O)(/N=C(/c1ccccc1Cl)N1CCOCC1)c1ccccc1,CID2147244,,,,,,,,,,,,,,,0.0,,
Cc1ccc(S(=O)(=O)/N=C(/c2ccccc2)N2CCOCC2)c(C)c1,CID1347716,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1S(=O)(=O)/N=C(/c1ccccc1)N1CCOCC1,CID2147213,,,,,,,,,,,,,,0.0,,,
S=C1NC(c2ccccc2)=NCN1c1ccccc1,CID2134320,,,,,,0.0,,,,,,,,,,,
COc1ccc(C2=NCN(c3ccc(C)cc3)C(=S)N2)cc1,CID2134226,,,,,,,,,,,0.0,,,,,,
Cc1ccc(N2CN=C(c3ccccc3)NC2=S)cc1,CID763786,,,,,,,,,,,0.0,,,,,,
S=C1NC(c2ccccc2)=NCN1c1ccc(Cl)cc1,CID803513,,,,,,,,,,,,,,0.0,,,
S=C1NC(c2ccccc2)=NCN1c1ccc(Br)cc1,CID759169,,,,,,,,,0.0,,0.0,,,,,,
CCCc1[nH][nH]c(=O)c1C(c1cccc(Cl)c1)C(C#N)C#N,CID653608,,,0.0,,,,,,,,,,,,0.0,,0.0
Cc1[nH][nH]c(=O)c1C(c1ccccc1[N+](=O)[O-])C(C#N)C#N,CID2839125,,,,,,,,,,,,,,,0.0,,
Cc1[nH]n(C(N)=S)c(=O)c1C(c1ccccc1)C(C#N)C#N,CID3117072,,,0.0,,,,,,,,,,,,,,
CCCc1[nH][nH]c(=O)c1C(c1ccccc1)C(C#N)C#N,CID649523,,0.0,,,,,,0.0,,,,,0.0,0.0,,0.0,
CCCc1[nH][nH]c(=O)c1C(c1ccc(Cl)cc1)C(C#N)C#N,CID3156486,,,,,,,,,,,0.0,,,,,,
O=C(NCc1ccccc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F,CID2107276,,,,,,,,,,,,,0.0,0.0,,,
O=C(NCc1ccccc1)c1cccc(S(=O)(=O)N2CCOCC2)c1,CID1099219,,,,,,,,,,,,,,,,0.0,
O=C(NCc1ccccc1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1,CID2711952,,,,,,,,,,,,0.0,0.0,,,,0.0
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc(F)cc1,CID2668608,,,,,,,,,,,,,0.0,0.0,,,
O=C(NCc1ccc(F)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F,CID2668611,,,,,0.0,,0.0,,,,,,,,,,0.0
CC(C)(C)N1C(=O)c2ccc(C(=O)Nc3nccs3)cc2C1=O,CID674366,,0.0,,0.0,,,0.0,,0.0,0.0,,,0.0,,,0.0,0.0
COCCN1C(=O)c2ccc(C(=O)Nc3nccs3)cc2C1=O,CID2229030,,,,,,,,,0.0,,,,,,,0.0,0.0
CC(C)CN1C(=O)c2ccc(C(=O)Nc3nccs3)cc2C1=O,CID700307,0.0,0.0,,,,,,,0.0,0.0,0.0,,,,0.0,0.0,
CCCN1C(=O)c2ccc(C(=O)Nc3nccs3)cc2C1=O,CID888554,,0.0,0.0,,,,0.0,0.0,0.0,0.0,0.0,0.0,,,,,0.0
CCN1C(=O)c2ccc(C(=O)Nc3nccs3)cc2C1=O,CID2200051,,,,0.0,,,,0.0,0.0,0.0,0.0,,,,,,
COc1ccc(-c2noc(C3CCCN(S(=O)(=O)c4cccc(Cl)c4C)C3)n2)cc1OC,CID652959,0.0,,,,0.0,,,,0.0,0.0,,0.0,,,,0.0,
COc1cc(-c2noc(C3CCCN(S(=O)(=O)c4cccc(Cl)c4)C3)n2)cc(OC)c1OC,CID648532,,,,,0.0,,,,0.0,,,,,,,,
COc1cccc(-c2noc(C3CCCN(S(=O)(=O)c4cccc(Cl)c4C)C3)n2)c1,CID650039,0.0,,,,0.0,,,,0.0,,,0.0,0.0,,,,0.0
COc1ccc(-c2noc(C3CCCN(S(=O)(=O)c4cccc(Cl)c4)C3)n2)cc1OC,CID647955,0.0,,,,0.0,,0.0,,0.0,,,0.0,,,,,
COc1ccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(C)c(Cl)c4)C3)n2)cc1OC,CID653175,0.0,,0.0,0.0,0.0,,,,0.0,0.0,0.0,0.0,,,,,
COc1cccc(N2CCN(CC(=O)Nc3ccc(-n4cnnn4)cc3)CC2)c1,CID1448653,,,,,,,,,,,,,,0.0,,,
O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1ccc(-n2cnnn2)cc1,CID648187,,0.0,,,,,,,,,,,,,,,
O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(-n2cnnn2)cc1,CID655936,,0.0,,,,,,,,,,,0.0,,0.0,,
Cc1cccc(N2CCN(CC(=O)Nc3ccc(-n4cnnn4)cc3)CC2)c1C,CID1439317,,,,,,,,,,,,0.0,,,,,
COc1ccc(N2CCN(CC(=O)Nc3ccc(-n4cnnn4)cc3)CC2)cc1,CID645888,0.0,0.0,0.0,0.0,,,0.0,,,,,,,,,,
CC(CNc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1Br,CID2855266,,,,,,,,,,,,0.0,,,,,
O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1F,CID2883628,,,,,,0.0,,,,,,,,,,,
CCN(CCNc1ccc(Cl)cc1[N+](=O)[O-])C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1OC,CID2847444,,,,,,,,,,,,,,0.0,,,
O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1Br,CID2883384,,,,,,,,,,,,0.0,,,,,
O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1,CID2855171,,,,,,0.0,,,,,,,,,0.0,,
Cc1cc(C)cc(N(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)S(C)(=O)=O)c1,CID2058441,,,0.0,0.0,0.0,,,0.0,,,,,,,,0.0,0.0
Cc1cccc(N(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)S(C)(=O)=O)c1,CID1337232,,0.0,,,,,,,,,,,0.0,,,0.0,0.0
Cc1cccc(N(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)S(C)(=O)=O)c1C,CID1003571,,,,,0.0,,,,,,,,,,0.0,0.0,
Cc1cc(C)cc(N(C(C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)S(C)(=O)=O)c1,CID2969079,,,,,0.0,,,0.0,,,,,,,,0.0,
Cc1ccc(N(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)S(C)(=O)=O)cc1C,CID1000646,,,,,,,,,,,,,,,0.0,,
COc1ccc(Cl)cc1CN1CCN(c2nc(C)cc(C)c2C#N)CC1,CID665454,0.0,0.0,,,,,0.0,,,,0.0,,,,,,
Cc1cccc(CN2CCN(c3ccccn3)CC2)c1,CID765549,0.0,,,,,,,,0.0,,0.0,,,,,0.0,
Cc1cc(C)c(C#N)c(N2CCN(Cc3ccccc3)CC2)n1,CID2972281,,,,,,,,,,,,0.0,,,,,
COCc1cc(C)nc(N2CCN(Cc3ccccc3)CC2)c1C#N,CID828954,,,,,,0.0,,,,,,0.0,,,,,
COc1ccc(CN2CCN(c3ccccn3)CC2)c(OC)c1,CID791288,0.0,0.0,,,,,,,,,,,,,0.0,,
c1ccc(-c2nnc(-c3ccncc3)o2)cc1,CID731741,,,,,,,,,,,,,,,0.0,,
CCCCOc1ccc(-c2nnc(-c3ccncc3)o2)cc1,CID652370,0.0,0.0,0.0,,,,0.0,0.0,0.0,,,,,,,,
CC(C)COc1ccc(-c2nnc(-c3ccncc3)o2)cc1,CID647974,0.0,0.0,0.0,,,0.0,,0.0,0.0,,,,,,0.0,,
CCCOc1ccc(-c2nnc(-c3ccncc3)o2)cc1,CID647581,0.0,,0.0,0.0,,0.0,0.0,,,,0.0,,0.0,0.0,0.0,,
CCOc1ccc(-c2nnc(-c3ccncc3)o2)cc1,CID647166,0.0,0.0,,,,0.0,0.0,,,,0.0,,,,,,
Cc1cc(C)c(S(=O)(=O)Nc2ccc(O)c(Sc3ncn[nH]3)c2)c(C)c1,CID7312243,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(S(=O)(=O)Nc2ccc(O)c(Sc3ncn[nH]3)c2)cc1,CID7312244,,,,,,,,,0.0,,,,,,,,
COc1ccc(S(=O)(=O)Nc2ccc(O)c(Sc3ncn[nH]3)c2)cc1,CID2207660,,,,,,,,,0.0,,,,,,,,
Cc1ccc(S(=O)(=O)Nc2ccc(O)c(Sc3ncn[nH]3)c2)cc1,CID1094878,,,,,,,,,,,,,,0.0,,,
COc1ccc(OC)c(S(=O)(=O)Nc2ccc(O)c(Sc3ncn[nH]3)c2)c1,CID1589729,,,0.0,,,,,,,,,,,0.0,,0.0,
COC(=O)C1(C)NC(c2ccco2)C2C(=O)N(c3ccc(C)cc3)C(=O)C21,CID645367,,0.0,,,,,,,,,,,,,,,
CCC1(C(=O)OC)NC(c2ccco2)C2C(=O)N(c3ccccc3)C(=O)C21,CID655786,,,,,,,,0.0,,,,,0.0,,,,0.0
CCCC1(C(=O)OC)NC(c2ccco2)C2C(=O)N(c3ccc(C)cc3)C(=O)C21,CID646729,,,,,,,0.0,0.0,,,,,,,0.0,,0.0
CCC1(C(=O)OC)NC(c2ccco2)C2C(=O)N(c3ccc(C)cc3)C(=O)C21,CID648188,,,,,,,,0.0,,,,,0.0,,0.0,,
CCOC(=O)C1(CC)NC(c2ccco2)C2C(=O)N(c3ccc(C)cc3)C(=O)C21,CID650263,,,,,,,,0.0,0.0,,0.0,,,,,,0.0
O=c1nc(C2CCCN(S(=O)(=O)c3ccccc3)C2)nc2n(Cc3ccc(F)cc3)[nH]nc1-2,CID645942,0.0,,,,,,,,,,,,,,,,
O=c1nc(C2CCCN(S(=O)(=O)c3ccccc3)C2)nc2n(Cc3ccccc3F)[nH]nc1-2,CID3235993,,,,,,,,,,0.0,0.0,,,,,,
Cc1ccc(Cn2[nH]nc3c(=O)nc(C4CCCN(S(=O)(=O)c5ccccc5)C4)nc2-3)cc1,CID3225666,,,,,,,,,,,0.0,,,,0.0,,
O=c1nc(C2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)nc2n(Cc3ccccc3)[nH]nc1-2,CID653610,0.0,,,0.0,,,,,,,0.0,,0.0,,,0.0,
O=c1nc(C2CCCN(S(=O)(=O)c3ccccc3)C2)nc2n(Cc3ccccc3)[nH]nc1-2,CID652359,0.0,0.0,,0.0,,,0.0,,,,0.0,,,,,,
Cc1cc2c(c(=O)n1CCN(C)C)C(c1ccncc1)C(C#N)=C(N)O2,CID661775,,0.0,,,,,0.0,,,,,,0.0,,,0.0,
COC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2C1c1ccncc1,CID662045,,,,,0.0,,,,0.0,,,,,,,,
CCn1c(C)cc2c(c1=O)C(c1ccncc1)C(C#N)=C(N)O2,CID667412,,,,,,,0.0,0.0,0.0,,,,,,,,
CCOC(=O)C1=C(N)Oc2cc(C)n(C)c(=O)c2C1c1ccncc1,CID666613,0.0,0.0,,0.0,,,,0.0,,,,,,,,,
CCOC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2C1c1ccncc1,CID667149,,,,,0.0,,,,,,,,0.0,,,0.0,
CC(C)C(=O)NC(c1ccco1)c1ccc2cccnc2c1O,CID2876959,,0.0,,0.0,,,,,0.0,,,0.0,,,,,
CCCC(=O)NC(c1ccco1)c1cc(Cl)c2cccnc2c1O,CID2930234,,0.0,,0.0,,,,,,0.0,,,,,,0.0,0.0
CCCC(=O)NC(c1ccco1)c1cc([N+](=O)[O-])c2cccnc2c1O,CID2921022,,,,,,,,,,,,,,,0.0,,
CC(=O)NC(c1ccco1)c1ccc2cccnc2c1O,CID2876915,,0.0,,,,,,,,,,0.0,,,,,
CCCCC(=O)NC(c1ccco1)c1cc(Cl)c2cccnc2c1O,CID3138753,,,,,,,,,,,,,,,0.0,,
CC1CC(C)CN(CCCNC(=O)COc2cc(=O)n(C)c3ccccc23)C1,CID3243055,,,,,0.0,,0.0,,,,,,,,,,
CCC1CCCCN1CCCNC(=O)COc1cc(=O)n(C)c2ccccc12,CID3238420,,,0.0,,0.0,,,,,,,0.0,,,,,0.0
CC1CCN(CCCNC(=O)COc2cc(=O)n(C)c3ccccc23)CC1,CID3237244,0.0,,,,,0.0,,0.0,,0.0,0.0,,0.0,,,,
CCn1c(=O)cc(OCC(=O)NCCCN2CC(C)CC(C)C2)c2ccccc21,CID3239072,,0.0,,,,,,,,0.0,,0.0,,0.0,,,
CCn1c(=O)cc(OCC(=O)NCCCN2CCC(C)CC2)c2ccccc21,CID3240625,0.0,,,,,0.0,,0.0,0.0,0.0,,0.0,0.0,,,0.0,0.0
COc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccco3)o2)c(OC)c1,CID3237475,,,,,0.0,,,,,0.0,,,,,,,0.0
CCOc1ccccc1NC(=O)CSc1nnc(CNC(=O)c2ccco2)o1,CID3243051,,0.0,,,0.0,,,,,,,,,,,,
COc1cccc(NC(=O)CSc2nnc(CNC(=O)c3ccco3)o2)c1,CID3237395,,0.0,,,,,,,,,,,,,,,
COc1ccccc1NC(=O)CSc1nnc(CNC(=O)c2ccco2)o1,CID3238326,,,,,,,,,,,,,,,,0.0,
COc1ccc(OC)c(NC(=O)CSc2nnc(CNC(=O)c3ccco3)o2)c1,CID3239607,,0.0,,,0.0,,,,,,0.0,,,,,,
CC(C)Oc1cccc(C(=O)NC(=S)Nc2cccnc2)c1,CID801741,,,,,,,,,,,,,,0.0,,,
CCCCOc1cccc(C(=O)NC(=S)Nc2cccnc2)c1,CID1716214,,,,,,,,,,,,,,0.0,,,
CCOc1cc(C(=O)NC(=S)Nc2cccnc2)cc(OCC)c1OCC,CID1018434,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)NC(=S)Nc2cccnc2)cc1OC,CID815885,,,,,,,,,,,,,,0.0,0.0,,
COc1cc(OC)cc(C(=O)NC(=S)Nc2cccnc2)c1,CID884957,,,,,,,,,,,,0.0,,0.0,,,
COc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1OC,CID1107850,,,,,,0.0,,,,,,,,,,,
COc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1,CID2460259,,,,,,,,,,,,,,,0.0,,
CC(=O)Nc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cc(C(C)(C)C)ccc3C)cc2)cc1,CID2557752,,,,,,,,,,,,,,,0.0,,
COc1ccc(OC)c(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c1,CID1280590,,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1,CID1362627,,,,,,0.0,,,,,,,,,,,
C=CCN(CC=C)C(=O)C(=O)c1ccn(-c2c(C)csc2C(=O)OC)c1,CID3477841,,,,,,,,,,,,,,,0.0,,
C=CCNC(=O)C(=O)c1cccn1-c1ccsc1C(=O)OC,CID2767928,,,,,,0.0,,,,0.0,0.0,,,,,,
CNC(=O)c1sccc1-n1cccc1,CID3694864,,,,,,,,,,,,0.0,,,,,
CCCNC(=O)C(=O)c1cccn1-c1ccsc1C(=O)OC,CID2767927,,,,,,0.0,,,,,0.0,,,,,,
C=CCNC(=O)c1cccn1-c1ccsc1C(=O)OC,CID3739207,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC(=O)CSc2nnc(-c3ccoc3C)n2CCc2ccccc2)cc1,CID647016,0.0,0.0,,0.0,0.0,,,,,,,,,,,0.0,0.0
Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccoc2C)n1CCc1ccccc1,CID655079,0.0,,,0.0,0.0,,,,0.0,,0.0,,0.0,,,,0.0
Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2)n1CCc1ccccc1,CID654281,0.0,,,,0.0,,,0.0,,,0.0,,,,,,
Cc1ccccc1NC(=O)CSc1nnc(-c2ccoc2C)n1CCc1ccccc1,CID648285,0.0,,0.0,0.0,0.0,0.0,0.0,,,,,,,,,,0.0
COc1ccccc1NC(=O)CSc1nnc(-c2ccoc2C)n1CCc1ccccc1,CID655644,0.0,,,,0.0,,,,,,,,,,,0.0,0.0
COc1ccc(OCCSc2nnnn2C2CCCCC2)cc1,CID647011,0.0,,,,0.0,,0.0,,,,,,0.0,,,,
COc1ccccc1OCCSc1nnnn1C1CCCCC1,CID2718238,,,,,,,,,,,,,,0.0,,,
c1ccc(OCCSc2nnnn2C2CCCCC2)cc1,CID653222,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,,,0.0,,0.0,,,,
CCOc1ccc(OCCSc2nnnn2C2CCCCC2)cc1,CID654494,0.0,,,,0.0,,,0.0,,,0.0,,0.0,0.0,0.0,,
Clc1ccc(OCCSc2nnnn2C2CCCCC2)cc1,CID1780041,,,,,,,,,,,0.0,0.0,,,,,
Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1ccc(C(=O)O)cc1)c1c(C)[nH]n(-c2ccccc2)c1=O,CID4390439,,,,,,,,,,,,,,,0.0,,
Cc1c(C(c2cccc([N+](=O)[O-])c2O)c2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)n(-c2ccccc2)n1C,CID2841673,,,,,,,,,,,,,,,0.0,,
Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1ccccc1C(=O)O)c1c(C)[nH]n(-c2ccccc2)c1=O,CID3656976,,,,,,,,,,,,,,,0.0,,
Cc1c(C(c2ccc([N+](=O)[O-])cc2)c2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)n(-c2ccccc2)n1C,CID2834119,,,,,,,,,,,,0.0,,,,,
Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1ccc(O)c([N+](=O)[O-])c1)c1c(C)[nH]n(-c2ccccc2)c1=O,CID2918507,,,,,,,,,,,,0.0,,,,,
CCOC(=O)Cc1c(C)c2c(C)[nH]nc2oc1=O,CID652451,,,,,,,,,,0.0,,,,,,,0.0
CCc1c(C)c2c(C)[nH]nc2oc1=O,CID600980,,,0.0,,,0.0,0.0,,,,,,,,,,
CCCc1c(C)c2c(C)[nH]nc2oc1=O,CID729789,,,,,,0.0,,,,,0.0,,,,,,
Cc1[nH]nc2oc(=O)c(CCO)c(C)c12,CID720699,,,,,,,,,,,,0.0,,,,,
Cc1c(C)c2c(C)[nH]nc2oc1=O,CID601074,,,,0.0,,0.0,,,,,,,,,,,
CCOC(=O)C1=C(N)n2c(s/c(=C\c3cccnc3)c2=O)=C(C(=O)OCC)C1c1cccnc1,CID652456,,,,,0.0,,,0.0,0.0,,0.0,,,,,,
CCOC(=O)C1=C(N)n2c(s/c(=C\c3cccnc3)c2=O)=C(C(=O)OC)C1c1cccnc1,CID660942,,,,,0.0,,,,,,,,,,,,
CCOC(=O)C1=C(N)n2c(s/c(=C\c3cccnc3)c2=O)=C(C#N)C1c1cccnc1,CID3241886,,0.0,,0.0,0.0,,,0.0,,0.0,,,0.0,,,,
CCOC(=O)C1=c2s/c(=C\c3cccnc3)c(=O)n2C(N)=C(C(=O)OC)C1c1cccnc1,CID3125779,,,,,,,,,0.0,,0.0,,,,,,
COC(=O)C1=C(N)n2c(s/c(=C\c3cccnc3)c2=O)=C(C(=O)OC)C1c1cccnc1,CID647064,,,0.0,,0.0,,,,0.0,,0.0,,0.0,,,,0.0
CC(=O)c1sc(Nc2nc3ccc(F)cc3s2)nc1C,CID3238625,0.0,,0.0,,0.0,,,,,,,,,,,,
CCOC(=O)c1csc(Nc2nc3ccc(F)cc3s2)n1,CID3236482,0.0,,0.0,,0.0,,,,,,,,0.0,,,,
COc1cccc2sc(Nc3nc(C)c(C(C)=O)s3)nc12,CID3239204,0.0,0.0,0.0,0.0,0.0,,,,0.0,,0.0,,,,,,
COc1ccc2nc(Nc3nc(C)c(C(C)=O)s3)sc2c1,CID3241407,0.0,,,,0.0,0.0,1.0,,0.0,0.0,0.0,,0.0,,0.0,,
CCOC(=O)c1sc(Nc2nc3c(OC)cccc3s2)nc1C,CID3238591,0.0,0.0,0.0,,0.0,,,,,,,,0.0,,,,
COc1ccc(CC(=O)N2CCOCC2)cc1,CID763436,,,,,,,,,,0.0,,,,,,,
Cc1ccc(CC(=O)N2CCOCC2)cc1,CID270308,,,,,,,,,0.0,,,,,,,,
Cc1ccc(CC(=O)N2CC(C)OC(C)C2)cc1,CID2938440,,,,,,0.0,,,,,,,,,,,
CC(C)Cc1ccc(C(C)C(=O)N2CCOCC2)cc1,CID2850328,,,,0.0,,,0.0,0.0,,,,,,,0.0,,
COc1ccc(CC(=O)N2CCOCC2)cc1OC,CID720388,,0.0,,,,,,,,0.0,,,,,,0.0,0.0
O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)Nc1cccc(Cl)c1,CID650428,0.0,0.0,,0.0,,0.0,0.0,,,,,,,,,0.0,0.0
COc1ccc(NC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cc1,CID1288686,,,,,,,,,0.0,,0.0,,,,,,
O=C(Nc1ccccc1)Nc1ccc(C(=O)N2CCOCC2)cc1,CID839616,,,,,,0.0,,,,,,0.0,,,,,
CC(=O)c1cccc(NC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)c1,CID1294784,,,,,,,0.0,0.0,,,,,,,,,
Cc1ccc(NC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cc1,CID680959,,,,,,,,,,,,0.0,,,0.0,,
COC(=O)C(Cc1ccccc1)NC(=O)N1CC(C)OC(C)C1,CID664686,,,,0.0,,,,,,,0.0,,0.0,,,,
O=C(O)C(Cc1ccccc1)NC(=O)N1CCOCC1,CID664657,,0.0,,,,0.0,,,,,,,,,,0.0,
O=C(NCCc1ccc(F)cc1)N1CCOCC1,CID831447,,,,0.0,,,0.0,,,,,,,0.0,,,
CC1CN(C(=O)NC(Cc2ccccc2)C(=O)O)CC(C)O1,CID664127,,,,0.0,,,0.0,0.0,,0.0,,,,,,,
COc1ccc(CCN(C)C(=O)N2CCOCC2)cc1OC,CID658810,,,,,,,,,,,,0.0,0.0,,,,
CCC(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1cccc(C)c1,CID664680,0.0,,,,,,,,,,0.0,,0.0,,,,
CC(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccccc1,CID664652,0.0,,,,0.0,,0.0,,,,,,0.0,0.0,,0.0,
CC(C)C(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccccc1,CID664261,0.0,,,,,,0.0,,,,,,0.0,,,0.0,0.0
CC(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1cccc(C)c1,CID664636,0.0,,,,1.0,0.0,,,,0.0,,0.0,,0.0,,,
CC(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccc(C)cc1,CID664948,0.0,0.0,,,0.0,,,,,0.0,,0.0,,,,0.0,0.0
Cc1ccc(-n2c(CCC(=O)O)ccc2-c2cccs2)cc1C,CID707498,,,,,,0.0,,,,,,,,0.0,,,
CCOC(=O)c1ccc(-n2c(CCC(=O)O)ccc2-c2cccs2)cc1,CID1261978,,,,,,,,,,,,,,0.0,,,
CC(=O)c1ccc(-n2c(CCC(=O)O)ccc2-c2cccs2)cc1,CID893928,,,,,,,,,0.0,0.0,,,,0.0,,,
CC(=O)c1cccc(-n2c(CCC(=O)O)ccc2-c2cccs2)c1,CID894054,,,0.0,,,,,0.0,0.0,0.0,,0.0,,0.0,,,
O=C(O)CCc1ccc(-c2cccs2)n1-c1ccc(C(=O)O)cc1,CID894375,,0.0,,,,,,0.0,0.0,0.0,,0.0,,0.0,0.0,,
CCOc1ccccc1NC(=O)C1CCCN(C(=O)Nc2ccccc2)C1,CID3222842,,,,,,,,,0.0,,0.0,0.0,,,,,
CCOc1ccc(NC(=O)C2CCCN(C(=O)Nc3ccccc3)C2)cc1,CID3222844,,,,,,,,,,,,0.0,,,,,
COc1cccc(NC(=O)N2CCCC(C(=O)Nc3ccccc3OC)C2)c1,CID645928,0.0,,0.0,,,,,0.0,,,,,,,,,0.0
COc1ccccc1NC(=O)N1CCCC(C(=O)Nc2cccc(C)c2C)C1,CID655920,0.0,0.0,0.0,,,,0.0,,,,,,,,,,0.0
Cc1cccc(NC(=O)C2CCCN(C(=O)Nc3ccccc3)C2)c1C,CID654890,0.0,,,,,,,0.0,,,0.0,0.0,0.0,,,,0.0
O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1ccc2c(c1)OCO2,CID3242617,0.0,0.0,0.0,0.0,0.0,,,,0.0,,,,,,,,0.0
O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1ccc2c(c1)OCO2,CID2121746,,,,,0.0,,,0.0,,0.0,0.0,,,,,,
O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)Nc1ccc2c(c1)OCO2,CID3245986,0.0,,,,,,,,,,,,,,,,
O=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1ccc2c(c1)OCO2,CID3241301,,,,,,,0.0,0.0,,,,,,,,,
CC(C)c1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc4c(c3)OCO4)CC2)cc1,CID3245116,,,0.0,0.0,0.0,,,,,,,,,,,,
CCOc1ccc(S(=O)(=O)NC(C)(C)C)cc1-c1nc(=O)c2c([nH]1)c(C(C)(C)C)nn2C,CID659121,,,,,,,,0.0,,,,,,,,,0.0
CCCc1nn(C)c2c(=O)nc(-c3ccccc3OCC)[nH]c12,CID899745,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(S(=O)(=O)N(C)CCO)cc1-c1nc(=O)c2c([nH]1)c(C(C)(C)C)nn2C,CID659136,,,,,,,,,0.0,,,,,,,,
CCOc1ccccc1-c1nc(=O)c2c([nH]1)c(C(C)(C)C)nn2C,CID751337,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(S(=O)(=O)N(C)C)cc1-c1nc(=O)c2c([nH]1)c(C(C)(C)C)nn2C,CID659094,0.0,,,,,,,,,,,,,,,,
NS(=O)(=O)c1ccc(NC(=O)COC(=O)COc2ccccc2)cc1,CID2429254,,,,,,,,,,,,,,,0.0,,
CC(C)c1ccccc1NC(=O)COC(=O)COc1ccccc1[N+](=O)[O-],CID2378844,,,,,,,,,,,,,,,0.0,,
COc1cccc(NC(=O)COC(=O)COc2ccccc2[N+](=O)[O-])c1,CID2641974,,,,,,,,,,,,,,,0.0,,
Cc1ccccc1OCC(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1,CID2549899,,,,,,,,,,,,,,0.0,,,
O=C(COC(=O)COc1ccccc1)Nc1ccccc1OC(F)F,CID2365200,,,,0.0,,,,,,,,,,,,,
CCc1ccc(OCc2cnc(Cl)s2)cc1,CID3477814,,,,,,,,,,,,,,0.0,,,
CC(=O)Nc1ccc(OCc2cnc(Cl)s2)cc1,CID1484583,,,,,,,,,,,,,,0.0,,,
O=[N+]([O-])c1ccc(OCc2cnc(Cl)s2)cc1,CID1484584,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccc(OCc2cnc(Cl)s2)c(C)c1,CID1474888,,,,,,,,,,,,,,0.0,,,
CC(C)(C)c1ccc(OCc2cnc(Cl)s2)cc1,CID1484591,,,,,,,,,,,,,,0.0,,,
CC(=O)c1ccc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1,CID869896,,,,,0.0,,0.0,,,,,,,,,,0.0
COc1ccnc(N2CCN(c3ccc(Cl)cc3)CC2)c1C#N,CID1484360,,,,,,0.0,,,,,,,,,,,
COCc1cc(C)nc(N2CCN(c3ccccc3)CC2)c1C#N,CID828953,,0.0,,,,,,0.0,,,,,,,,,
COc1ccccc1N1CCN(c2nc(N)c(C#N)c(CC#N)c2C#N)CC1,CID2999892,,0.0,0.0,,,,,,,,,0.0,,,,,
CCOc1ccccc1N1CCN(c2nc(N)c(C#N)c(CC#N)c2C#N)CC1,CID3000071,,0.0,,,,,,,,0.0,,,,,,,
COc1cccc(C2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCN2CCOCC2)c1OC,CID661086,,,,,0.0,,,0.0,,,0.0,,,,,,0.0
COc1ccc(OC)c(C2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCN2CCOCC2)c1,CID661145,,,,,0.0,,0.0,,,,0.0,,,,,,0.0
COc1cccc(C2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCN2CCOCC2)c1,CID661350,,,0.0,,0.0,,,0.0,,,0.0,,,,,,0.0
COc1ccc(C2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCN2CCOCC2)cc1,CID661230,,,0.0,,0.0,,,,,,,,,,,,
COc1ccccc1C1C(C(=O)c2sc(C)nc2C)=C(O)C(=O)N1CCN1CCOCC1,CID661183,,,,,0.0,,,,,,,,,,,,0.0
CCc1nc2oc3cc(OC)ccc3c(=O)c2c(=O)n1-c1ccccc1,CID667014,0.0,0.0,0.0,,,,,,0.0,,,,,,,,
CC(C)c1nc2oc3ccccc3c(=O)c2c(=O)n1-c1ccccc1,CID1862875,,,,,,0.0,,,0.0,,,,,,,,
Cc1ccc(-n2c(C)nc3oc4ccccc4c(=O)c3c2=O)cc1,CID666560,0.0,0.0,,0.0,,,,0.0,,,0.0,,0.0,0.0,,,
CCc1nc2oc3ccccc3c(=O)c2c(=O)n1-c1ccccc1,CID667057,0.0,,,,,,,,0.0,,,,0.0,,0.0,,
Cc1nc2oc3ccccc3c(=O)c2c(=O)n1-c1ccccc1,CID667311,,0.0,0.0,,,0.0,0.0,0.0,,,,,0.0,,0.0,,
COC(=O)c1cc2sccc2n1Cc1ccc(C)cc1,CID3245369,,,,,0.0,,,,,,0.0,,,,,,
Cc1ccc(Cn2c(C(=O)O)cc3sccc32)cc1,CID3466413,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1cc2sccc2n1Cc1ccccc1,CID649131,,,,,0.0,,0.0,,,0.0,,,,0.0,,,
COc1cc(Cn2c(C(=O)O)cc3sccc32)cc(OC)c1OC,CID653413,,,,,,,,,0.0,,,,,0.0,,,
CCOC(=O)c1cc2sccc2n1Cc1ccc(C#N)cc1,CID646989,0.0,,0.0,,,,0.0,,,0.0,,0.0,,0.0,,,
CC(C)OCCCn1c(-c2ccco2)nc2nc3ccccc3nc21,CID663645,,,,0.0,,,0.0,,,,,0.0,0.0,0.0,,,
COCCn1c(-c2ccco2)nc2nc3ccccc3nc21,CID664201,,0.0,0.0,,,,0.0,,,,,,,0.0,,,
CCCCOCCCn1c(-c2ccco2)nc2nc3ccccc3nc21,CID664254,,,0.0,0.0,,,,,,,,,0.0,0.0,,,
CCCCCn1c(-c2ccco2)nc2nc3ccccc3nc21,CID664996,,,0.0,0.0,,,0.0,,,,,0.0,,,,,
CCC(C)n1c(-c2ccco2)nc2nc3ccccc3nc21,CID3617832,,,,,,,,,,,,0.0,,,,,
Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1sc2c(c1C#N)CCC2,CID649757,0.0,0.0,,0.0,0.0,,,,,0.0,,0.0,0.0,,0.0,,0.0
COC(=O)c1c(NC(=O)c2c(-c3ccccc3Cl)noc2C)sc2c1CCC2,CID1001041,,,,,,,,,,,,,,0.0,1.0,,
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1sc2c(c1C(N)=O)CCC2,CID1245143,,,,,,,,,,,,0.0,,,,,
Cc1onc(-c2ccccc2)c1C(=O)Nc1sc2c(c1C(N)=O)CCC2,CID2121217,,,0.0,,0.0,,,,,,0.0,,0.0,0.0,,,
Cc1onc(-c2ccccc2)c1C(=O)Nc1sc2c(c1C#N)CCC2,CID1245760,0.0,0.0,,0.0,,,0.0,,,,0.0,,,0.0,,0.0,0.0
CCCOc1ccc(N2CC(C(=O)Nc3ccccn3)CC2=O)cc1,CID649752,,,,,0.0,,,,,,0.0,,0.0,,,0.0,
CCCOc1ccc(N2CC(C(=O)Nc3ncccc3C)CC2=O)cc1,CID652599,0.0,,0.0,,0.0,,,,0.0,,,,,,,,0.0
CCOc1ccc(N2CC(C(=O)Nc3ncccc3C)CC2=O)cc1,CID2925272,,,,,,0.0,,,,,,,0.0,,,,
Cc1ccc(N2CC(C(=O)Nc3ccccn3)CC2=O)cc1,CID2883423,,0.0,,0.0,,0.0,,,,,,0.0,,,,,
COc1ccc(N2CC(C(=O)Nc3ncccc3C)CC2=O)cc1,CID2947265,,,,,,,0.0,0.0,,,,,,,,,
Cc1ccc(N(CC(=O)N2CCOCC2)S(C)(=O)=O)cc1C,CID764241,,,,,,,,,,,0.0,,,,,,
COc1cccc(NC(C)C(=O)N2CC(C)OC(C)C2)c1,CID2999728,,,0.0,,,,,0.0,,0.0,,,,,,,0.0
COc1cc(NC(C)C(=O)N2CC(C)OC(C)C2)cc(OC)c1,CID4879525,,,,,,,,,,,,,,,0.0,,
CN(C)S(=O)(=O)N(CC(=O)N1CCOCC1)c1ccccc1,CID800437,,,0.0,0.0,,,,0.0,,,,,,,,,0.0
CC(=O)c1cccc(N(CC(=O)N2CCOCC2)S(C)(=O)=O)c1,CID1294205,,,,0.0,,,,,,,,,0.0,0.0,,,0.0
Cc1ccc2nc(SCC(=O)NCc3ccco3)c(C#N)cc2c1,CID654954,,0.0,,0.0,0.0,,0.0,,0.0,0.0,,0.0,0.0,,,0.0,
Cc1ccc2cc(C)c(SCC(=O)NCc3ccco3)nc2c1,CID864548,,,,,,,,,,,,,,0.0,,,
Cc1ccc2cc(C#N)c(SCC(=O)NCc3ccco3)nc2c1,CID651442,0.0,,0.0,0.0,0.0,0.0,0.0,,,0.0,,0.0,,,,,0.0
Cc1ccc2nc(SCC(=O)NCc3ccco3)c(C)cc2c1,CID864438,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)c2cc(C#N)c(SCC(=O)NCc3ccco3)nc2c1,CID653760,0.0,,,0.0,,,,,,,0.0,,0.0,,,,0.0
CNC(=O)CN1C(=O)CSc2nc(C)cc(C)c21,CID5308693,,0.0,,0.0,,,,,,,,,,,,0.0,
CC(C(=O)O)N1C(=O)CSc2ncccc21,CID3236378,0.0,,,0.0,,,,,,,,,,,,,
COCCNC(=O)CN1C(=O)CSc2ncccc21,CID5307559,,0.0,,,,,,,,,,,,,,,
COCCCNC(=O)CN1C(=O)CSc2ncccc21,CID5307337,,,,0.0,,,0.0,,,,,,0.0,,,,
CNC(=O)CN1C(=O)CSc2ncccc21,CID5308434,,,,0.0,,,0.0,,,,,0.0,,,,,
CCOc1ccc(N(CC(=O)N2CCc3ccccc32)S(=O)(=O)c2c(C)noc2C)cc1,CID5309344,,,,,,,,,,,,,,,,0.0,0.0
Cc1noc(C)c1S(=O)(=O)N(CC(=O)N1CCc2ccccc21)c1ccc(C(C)C)cc1,CID5308734,,,,0.0,,,,,,,0.0,,,,,,
Cc1cc(C)cc(N(CC(=O)N2CCc3ccccc32)S(=O)(=O)c2c(C)noc2C)c1,CID5307953,,,,,,,,0.0,,,,,0.0,,,,
COc1ccc(N(CC(=O)N2CCc3ccccc32)S(=O)(=O)c2c(C)noc2C)cc1,CID3235841,,0.0,0.0,,0.0,,,0.0,,,0.0,,,,,,0.0
COc1ccc(N(CC(=O)N2c3ccccc3CC2C)S(=O)(=O)c2c(C)noc2C)cc1,CID3245521,,0.0,,,0.0,,,,,,,,0.0,,,,0.0
CC/N=C1\SC(C(=O)Nc2cccc(C)c2)CC(=O)N1CC,CID3139558,,,,,,,,,,,0.0,,,,,,
CC/N=C1\SC(C(=O)Nc2cccc(C(=O)O)c2)CC(=O)N1CC,CID649595,,0.0,,0.0,,,0.0,,0.0,,,,,0.0,,,
CC/N=C1\SC(C(=O)Nc2ccccc2)CC(=O)N1CC,CID3139560,,,,,,,,,,,0.0,,,,,,
CC/N=C1\SC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC(=O)N1CC,CID661493,,,0.0,,,,,,,,,,,,,,
CC/N=C1\SC(C(=O)Nc2cccc(OCC)c2)CC(=O)N1CC,CID647079,,,,0.0,0.0,,0.0,,,,,,,0.0,,0.0,
CCc1ccc(NC(=O)c2noc3c2CCC3)cc1,CID5075959,,,,,,,,,,1.0,,,,,,,
COc1cc(NC(=O)c2noc3c2CCC3)c(OC)cc1Cl,CID3238190,0.0,,0.0,0.0,,,,,,,,,0.0,,,0.0,0.0
CSc1ccccc1NC(=O)c1noc2c1CCC2,CID3238925,,,0.0,0.0,0.0,,0.0,0.0,,,,,,,,,0.0
O=C(Nc1ccc(F)cc1F)c1noc2c1CCC2,CID3236796,,,,,,,,,,,,,,0.0,,,0.0
COC(=O)c1ccccc1NC(=O)c1noc2c1CCC2,CID3240336,,,0.0,,,,,0.0,,,,,,,,,
COc1ccccc1C(=O)N1CCCN(C(=O)c2ccccc2OC)CC1,CID1292142,0.0,,0.0,0.0,,,,0.0,0.0,0.0,,,0.0,,,,
Cc1cccc(C(=O)N2CCCN(C(=O)c3cccc(C)c3)CC2)c1,CID576845,,,,,,,,,0.0,,,,,,,,
Cc1ccccc1C(=O)N1CCCN(C(=O)c2ccccc2C)CC1,CID897854,0.0,,,,,,0.0,,0.0,,,,0.0,,,,
CCOc1ccc(C(=O)N2CCCN(C(=O)c3ccc(OCC)cc3)CC2)cc1,CID1219339,0.0,,,0.0,0.0,,,,,,,,,,,,
O=C(c1ccccc1[N+](=O)[O-])N1CCCN(C(=O)c2ccccc2[N+](=O)[O-])CC1,CID4100836,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)N2CCCC(C(=O)NCc3ccccn3)C2)cc1,CID2954796,,0.0,0.0,,,,,0.0,,,,,,,,,
O=C(NCc1ccccn1)C1CCCN(S(=O)(=O)c2ccccc2)C1,CID2976301,,,,,,,,,,,,,0.0,,,,
O=C(NCc1ccccn1)C1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1,CID2980230,,,,,,,,,0.0,,0.0,,,,,0.0,0.0
COc1ccc(S(=O)(=O)N2CCCC(C(=O)NCc3ccccn3)C2)cc1Cl,CID2976158,,0.0,,0.0,0.0,,,,0.0,,,0.0,,,,,0.0
COc1ccc(S(=O)(=O)N2CCCC(C(=O)NCc3ccccn3)C2)cc1,CID2983927,,,,,,,,,,,,,,,,0.0,
Cc1cc(C)c2c(c1)c(C)cc1nnc(SCC(=O)NCc3ccco3)n12,CID646230,0.0,0.0,,,,,0.0,0.0,,,0.0,,,,,0.0,0.0
Cc1cc2nnc(SCC(=O)NCc3ccco3)n2c2ccccc12,CID982947,0.0,0.0,,,,,,,,,,,,,,0.0,
Cc1ccc2cc(C)c3nnc(SCC(=O)NCc4ccco4)n3c2c1,CID646293,0.0,0.0,0.0,,,0.0,0.0,0.0,,,,,0.0,,,0.0,0.0
Cc1ccc2c(c1)cc(C)c1nnc(SCC(=O)NCc3ccco3)n12,CID647919,0.0,0.0,0.0,,,,0.0,0.0,0.0,,,,,,,0.0,0.0
Cc1cc2cc(C)c3nnc(SCC(=O)NCc4ccco4)n3c2cc1C,CID653278,0.0,,,,,,0.0,0.0,,,0.0,,,,,0.0,0.0
CCc1ccc2[nH]c(=O)c(C(c3nnnn3Cc3ccccc3)N3CCOCC3)cc2c1,CID646234,,0.0,0.0,,,,,,0.0,0.0,,,,,,,
COc1ccc(Cn2nnnc2C(c2cc3cc(C)cc(C)c3[nH]c2=O)N2CCOCC2)cc1,CID653705,,0.0,0.0,0.0,,,,,,0.0,,0.0,,,,,
COc1ccc(Cn2nnnc2C(c2cc3cc(C)ccc3[nH]c2=O)N2CCOCC2)cc1,CID649411,,,0.0,,,,,,,,,,,,,,
COc1ccc(Cn2nnnc2C(c2cc3cccc(C)c3[nH]c2=O)N2CCOCC2)cc1,CID649406,,,,,,,,,,0.0,,,0.0,0.0,,,
CCc1ccc2[nH]c(=O)c(C(c3nnnn3Cc3ccc(OC)cc3)N3CCOCC3)cc2c1,CID647792,,,0.0,,,,,,,,,0.0,0.0,,,,
O=c1[nH]c2cc3c(cc2cc1CN(CC1CCCO1)S(=O)(=O)c1ccccc1)OCCO3,CID646239,,,,,0.0,,,,,,0.0,,,,,0.0,
O=c1[nH]c2cc3c(cc2cc1CN(CC1CCCO1)S(=O)(=O)c1ccc(Cl)cc1)OCCO3,CID655855,0.0,,0.0,,,,,,,,0.0,0.0,,,,,
CC(=O)c1cccc(S(=O)(=O)N(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)CC2CCCO2)c1,CID651562,,,,,0.0,,,,,0.0,,0.0,,,,,
CC(=O)c1ccc(S(=O)(=O)N(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)CC2CCCO2)cc1,CID654483,,,,,0.0,,,,,0.0,0.0,,0.0,,0.0,0.0,0.0
Cc1ccc(S(=O)(=O)N(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)CC2CCCO2)cc1,CID646994,,,,,0.0,0.0,,,,0.0,0.0,,0.0,0.0,,,0.0
Cc1cccc(Nc2ncnc3c2cnn3C)c1,CID223732,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1ccc(Nc2ncnc3c2cnn3C)cc1,CID660250,,0.0,0.0,0.0,,0.0,0.0,0.0,,,,,0.0,0.0,,,
COc1cccc(Nc2ncnc3c2cnn3C)c1,CID644888,,0.0,0.0,0.0,,,,,,,,0.0,0.0,0.0,0.0,,
Cn1ncc2c(Nc3cccc(C(=O)O)c3)ncnc21,CID875579,,,,,,,,,,,,,,,0.0,,
Cn1ncc2c(Nc3ccccc3Br)ncnc21,CID660370,,,,,,,,,0.0,,,,,,0.0,,0.0
O=C(O)c1[nH]c2ccc(Cl)cc2c1CC(=O)N1CCN(c2ccccc2)CC1,CID3237624,0.0,0.0,0.0,,,,0.0,,,,,,0.0,,,,0.0
Cc1cccc(N2CCN(C(=O)Cc3c(C(=O)O)[nH]c4ccc(Cl)cc34)CC2)c1C,CID3237041,0.0,,,0.0,,,0.0,,,,,,0.0,,,0.0,0.0
Cc1ccc(Cl)cc1N1CCN(C(=O)Cc2cn(C)c3ccccc23)CC1,CID9550360,,,,,,0.0,,,,,,,,,,,
O=C(O)c1[nH]c2ccccc2c1CC(=O)N1CCN(c2ccccc2)CC1,CID16195518,,,,,,,,,,,,,,0.0,,,
Cn1cc(CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)c2ccccc21,CID3238568,,,0.0,,,,,,,,,,0.0,,,0.0,
CCc1c(C)c2c(C)nn(-c3ccccc3)c2oc1=O,CID700657,,,,,,,,,0.0,0.0,,,,,,,
Cc1cc(=O)oc2c1c(C)nn2-c1ccc(Cl)cc1,CID696875,,,,,,,,,,,,,,0.0,,,
Cc1cc(=O)oc2c1c(C)nn2-c1ccc(C(=O)OC(C)C)cc1,CID833762,0.0,,,,,,0.0,,,,0.0,,,,,,
CCOC(=O)Cc1c(C)c2c(C)nn(-c3ccccc3)c2oc1=O,CID674767,,,,,,,0.0,0.0,,,,,,0.0,0.0,,
Cc1cc(=O)oc2c1c(C)nn2-c1cccc(Cl)c1,CID354609,,,,,,,,,,,,,,0.0,,,
COc1ccc(-n2cc(-c3ccc(OC)c(OC)c3)[nH]c2=S)cc1,CID2135732,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccc(-n2cc(-c3ccc(OC)cc3)[nH]c2=S)cc1,CID829241,,,,,,,,,,,,,,0.0,,,
COc1ccc(-n2cc(-c3ccc(Br)cc3)[nH]c2=S)cc1,CID3492613,,,,,,,,,,,,,,,0.0,,
Cc1ccc(-n2cc(-c3ccc([N+](=O)[O-])cc3)[nH]c2=S)c(C)c1,CID2368426,,,,,,,,,,,,,,,0.0,,
CCc1ccc(-n2cc(-c3ccc([N+](=O)[O-])cc3)[nH]c2=S)cc1,CID719475,,,,,,,,,,,,,,0.0,,,
CC1=CC(C)(C)N(C(=O)CN2C(=O)c3ccccc3C2=O)c2ccccc21,CID1219451,,0.0,,,,,,0.0,0.0,,0.0,,0.0,,,,0.0
CC1=CC(C)(C)N(C(=O)C(C)N2C(=O)c3ccccc3C2=O)c2c(C)cc(C)cc21,CID2892927,,,,,,,,,0.0,,,,,,,,
COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)C(C)N1C(=O)c2ccccc2C1=O,CID3241691,,,,,0.0,,0.0,,0.0,,,,,,,,
CC1=CC(C)(C)N(C(=O)CN2C(=O)c3ccccc3C2=O)c2ccc(C)cc21,CID1118065,,,,,,,,,0.0,,,,,,,,
CC1=CC(C)(C)N(C(=O)C(C)N2C(=O)c3ccccc3C2=O)c2ccc(C)cc21,CID2865192,,,,,,,,,0.0,,,,,,,,
Cc1nnc(SCC(=O)N2CCN(c3ccccc3)CC2)n1-c1ccccc1,CID2504079,,,,,,0.0,,,,,,,,,,,
Cc1ccccc1-n1cnnc1SCC(=O)N1CCN(c2ccccc2)CC1,CID2475547,,,,,,,,,,,0.0,,,,,,
COc1ccc(-n2cnnc2SCC(=O)N2CCN(c3ccccc3)CC2)cc1,CID2548257,,,,,,,,,,,0.0,,,,,,
Nc1nnc(SCC(=O)N2CCN(c3cccc(Cl)c3)CC2)n1-c1ccccc1,CID980304,,,,,,,,,,,,0.0,,,,,
Nc1nnc(SCC(=O)N2CCN(c3ccccc3)CC2)n1-c1ccccc1,CID980303,,,0.0,,,,,0.0,,,0.0,,,,,0.0,
O=C(COC(=O)CNC(=O)c1ccco1)Nc1ccc(Cl)cn1,CID2546642,,,,,,,,,,0.0,,,,,,,
CSCCC(NC(=O)c1ccco1)C(=O)OCC(=O)Nc1ncc(Cl)c(C)c1Cl,CID4841521,,,,,,,,,,,,,,0.0,,,
Cc1c(Cl)cnc(NC(=O)COC(=O)C(NC(=O)c2ccco2)C(C)C)c1Cl,CID2997766,0.0,,,,,,,,,,,,0.0,,,,
Cc1nc(NC(=O)COC(=O)C(NC(=O)c2ccco2)C(C)C)c(Cl)cc1Cl,CID2998231,0.0,,,,,,,,,,,,,,,,
CC(OC(=O)C(NC(=O)c1ccco1)C(C)C)C(=O)Nc1ncc(Cl)cc1Cl,CID2998516,0.0,,,,,,,,,,,,0.0,,,,
CCN1CCN(c2ncnc3c2oc2nc(C(C)C)c4c(c23)CCC4)CC1,CID666251,,0.0,,0.0,,0.0,0.0,0.0,,,,,0.0,,,,
CCOC(=O)N1CCN(c2ncnc3c2oc2nc(C(C)C)c4c(c23)CCC4)CC1,CID666803,,,0.0,,,,,0.0,0.0,,,,,,0.0,,
CC(C)c1nc2oc3c(N4CCNCC4)ncnc3c2c2c1CCC2,CID666177,,0.0,,,,,0.0,0.0,,,0.0,,,,,,
CC(C)c1nc2oc3c(N4CCN(C)CC4)ncnc3c2c2c1CCC2,CID666110,,0.0,,,,,,,,,,,,,,,
CCOC(=O)N1CCN(c2ncnc3c2oc2nc(CC(C)C)c4c(c23)CCC4)CC1,CID666423,0.0,,,,,,,0.0,,,,,,,,,
Cc1cc(C)n(CC(O)COc2ccccc2)n1,CID3127806,,,,,,,,,,0.0,,,,,,,
COc1ccccc1OCC(O)Cn1nc(C)cc1C,CID3239689,,,,,,,,,,,0.0,,,,,,0.0
OC(COc1ccccc1)Cn1cc(Br)cn1,CID659769,,,,,,,0.0,,0.0,,,0.0,,,0.0,0.0,0.0
CC(=O)Nc1ccc(OCC(O)Cn2nc(C)c(Br)c2C)cc1,CID2962055,,,,,,,,,0.0,,0.0,0.0,,,,,
CC(=O)Nc1ccc(OCC(O)Cn2nc(C)c(C(C)=O)c2C)cc1,CID2962056,,,,,,,,0.0,,0.0,,,,0.0,,0.0,
COc1ccc2c(c1[N+](=O)[O-])CCC/C2=N/OC(=O)c1ccccc1SC,CID5347424,,,,,,0.0,,,,,,,,,,,
O=C(O/N=C1\CCCc2ccccc21)c1ccc(F)cc1,CID1489353,,,,,,,,,,,,,,,0.0,,
O=C(O/N=C1\CCCc2ccccc21)c1cccc(Cl)c1,CID1482817,,,,,,,,,,,,,,0.0,0.0,,
COc1cc2c(cc1C)/C(=N\OC(=O)c1cc(OC)c(OC)c(OC)c1)CCC2,CID5344774,,,,,,0.0,,,,,,,,,,,
COc1ccc2c(c1[N+](=O)[O-])CCC/C2=N\OC(=O)c1ccccc1SC,CID1366848,,,,,,,,,,0.0,,0.0,,,,,
CC(=O)Oc1ccc(N2C(=O)C3C4C=CC(O4)C3C2=O)cc1,CID2861679,,,,,,,0.0,,,0.0,,,,,,0.0,
CC(C)(C)C(=O)NCC12C=CC(O1)C1C(=O)N(c3ccccc3)C(=O)C12,CID2832292,,,,,,,,,,0.0,,,,,,,
CC(=O)Oc1ccc(N2C(=O)C3C(C2=O)C2(C)C=CC3(C)O2)cc1,CID2860584,,,,,,,0.0,,,0.0,,,,,,,
CC(C)COC(=O)NCC12C=CC(O1)C1C(=O)N(c3ccc(Cl)cc3)C(=O)C12,CID3235692,,0.0,,0.0,,,,,,,,,,,,,
CCOc1ccc(C(C)=O)cc1N1C(=O)C2C3C=CC(O3)C2C1=O,CID3245603,,,,,,,,0.0,,,,,,,0.0,,
Cc1ccc(-c2ccc(CCC(=O)O)n2Cc2ccco2)cc1,CID646783,,,,,,,0.0,,,,,,0.0,,,,
O=C(O)CCc1ccc(-c2ccccc2)n1Cc1ccco1,CID655989,,0.0,,,,,0.0,0.0,,,,,,0.0,0.0,,0.0
O=C(O)CCc1ccc(-c2ccc(F)cc2)n1Cc1ccco1,CID893621,,,,,,,,0.0,,,,,,,0.0,,
O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1Cc1ccco1,CID893940,,,,,,,,,,,,,,,,0.0,
O=C(O)CCc1ccc(-c2ccc(Br)cc2)n1Cc1ccco1,CID1314225,0.0,,,,,,0.0,,0.0,,,0.0,,,,,0.0
O=C(CSC1=NCCS1)Nc1ccccc1F,CID644787,,,,,,,0.0,,,,,,0.0,,,,
O=C(CSC1=NCCS1)Nc1cccc(F)c1,CID861423,,,,,,,,,,,,,,,0.0,,
COc1ccc(OC)c(NC(=O)CSC2=NCCS2)c1,CID857458,,,0.0,,0.0,,0.0,,,0.0,,,0.0,,,,
CN(C(=O)CSC1=NCCS1)c1ccccc1,CID2350907,,,,,,,,,,0.0,,,,,,,
CC(=O)Nc1ccc(NC(=O)CSC2=NCCS2)cc1,CID646147,,,,,0.0,,0.0,,0.0,0.0,0.0,,0.0,0.0,,,
CCS(=O)(=O)NCc1cn2ccsc2n1,CID3236842,,,,,,,,,,,,,0.0,,,,0.0
CCCS(=O)(=O)NCc1cn2c(C)csc2n1,CID5310488,,,,,,,,,,,,,,0.0,,,
Cc1csc2nc(CNS(=O)(=O)N(C)C)cn12,CID5310188,,,,,,,,,,,,,0.0,,,,
Cc1csc2nc(CNC(=O)CCC(=O)O)cn12,CID5310272,,,,0.0,,,,,,0.0,,,,,,,
CCOC(=O)c1c(C)nc2sccn12,CID671011,,,0.0,,,,0.0,,,0.0,,,0.0,,0.0,,
COc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)NC2CCCC2)cc1,CID4573848,,0.0,,,0.0,,0.0,,,,,,,,,0.0,
O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(Cl)cc1)NC1CCCC1,CID4113914,,,,0.0,0.0,,,,,,,,,,,0.0,
O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(F)cc1)NC1CCCC1,CID4384043,0.0,,,,,,,,,,0.0,,,,,0.0,
CCOc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)NC2CCCC2)cc1,CID4557441,,,,,0.0,,,,,,,,0.0,,,0.0,
COc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)NC2CCCC2)c1,CID4681948,,,,,0.0,,,,,,,,,,,0.0,
O=C(NCCO)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,CID3157644,,,,,,,,,,,,0.0,,,,,
c1coc(-c2nc3ccccc3nc2-c2ccco2)c1,CID236275,,,,,,0.0,,,,,,,0.0,,,,
CCCCNC(=O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,CID5076890,0.0,,,,,,,0.0,,,,,0.0,,,,
COc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,CID762708,,,,,,,,,,,,,,0.0,,,
O=C(O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,CID774142,,,,,,,,,,,,,,0.0,0.0,,
CC(=C/c1ccccc1)/C=N/n1cnnc1,CID760740,,,,,,0.0,,,,,,0.0,,,,,
BrC(=C\c1ccccc1)/C=N/n1cnnc1,CID727085,,,,,,,,,,,,,,,0.0,,
C(=C/c1ccccc1)\C=N\n1cnnc1,CID2139378,,,,0.0,,0.0,0.0,0.0,,,,0.0,,,,,
CC(/C=N/n1cnnc1)=C\c1ccccc1,CID1861186,,,,,,,,,,,,0.0,,,,,
Cc1nnc(C)n1/N=C/C=C/c1ccccc1,CID6398912,,,,,,,,0.0,,,,,,,,,
O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl)N1CCOCC1,CID1007908,0.0,,,,,,,,0.0,,,,0.0,,,0.0,0.0
CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)N2CCOCC2)cc1,CID1008028,,,,,,,,,,0.0,0.0,,,,,,
CC(NS(=O)(=O)c1ccc(OCC(=O)N2CCOCC2)c(Cl)c1)c1ccccc1,CID2967338,0.0,,0.0,0.0,,,,,,,,0.0,,,,,
CC(NS(=O)(=O)c1ccc(OCC(=O)N2CCOCC2)cc1)c1ccccc1,CID2947828,,,,,,,,,,,,0.0,,,,0.0,
O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)N1CCOCC1,CID1088524,,,,,,,,,0.0,,,,,0.0,,,
NC(=O)C1CCN(C(=O)c2ccc(CS(=O)(=O)c3c(Cl)cccc3Cl)o2)CC1,CID3458260,,,,,,,0.0,,,,,,,,,,
CCOC(=O)C1CCCN(C(=O)c2ccc(CS(=O)(=O)c3ccc(Br)cc3)o2)C1,CID5309394,,,,,,,0.0,,,,,,,,,,
Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N2CC(C)CC(C)C2)o1,CID5309657,,0.0,,,,,,,,,,,,,,,0.0
COc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCC(C(N)=O)CC3)o2)cc1,CID3593873,,,,,0.0,,,0.0,,,,,,,,,
CCOC(=O)C1CCCN(C(=O)c2ccc(CS(=O)(=O)c3ccc(C)cc3)o2)C1,CID5307414,,0.0,,,,,,0.0,,,,,,,,,
CCOc1c(OC(C)=O)ccc(/C=C/c2ccc3cccc(OC)c3n2)c1[N+](=O)[O-],CID5738922,,,,,,,,,,,,,,,0.0,,
O=C(O)C(=O)/C(=C\c1cccc(Cl)c1)c1ccc2ccccc2n1,CID6298588,,,,,,,,,,,,,,,0.0,,
CC(=O)Nc1ccccc1/C=C/c1ccc2c(C)cc(C)c(O)c2n1,CID5339437,,,,,,0.0,,,,,,,,0.0,,,
O=[N+]([O-])c1cccc2ccc(/C=C/c3ccc(F)cc3)nc12,CID6065862,,,,,,,,,,,,,,,0.0,,
COc1cc(/C=C/c2ccc3cccc(OC)c3n2)c(OC(C)=O)c([N+](=O)[O-])c1,CID5740287,,,,,,,,,,0.0,,,,,,,
CCNc1nc(NC(C)C)nc(SCCOc2ccc(C)cc2)n1,CID1819215,,,,,,,,,,0.0,,,,,,,
CCOc1nc(SCCOc2ccccc2)nc(N(C)C)n1,CID658246,,0.0,,,,,0.0,,0.0,,0.0,,0.0,,,0.0,
CCNc1nc(SCCOc2ccc(C)cc2)nc(N(C)C)n1,CID3237954,,,0.0,,,0.0,,,,,,,,,,0.0,
CCOc1nc(SCCOc2ccc(C)cc2)nc(N(C)C)n1,CID658380,0.0,0.0,0.0,,,,,,,,,,0.0,,0.0,,
CCNc1nc(SCCOc2ccccc2)nc(N(C)C)n1,CID2056713,,,,0.0,,,,,,,,,,,,0.0,
Cc1ccc(-c2noc(CSc3nnc(-c4cccs4)n3C)n2)cc1,CID1007753,,,,,,,,,,,,0.0,,,,,
CCn1c(SCc2nc(-c3ccc(OC)c(OC)c3)no2)nnc1-c1cccs1,CID2230304,,,,,,,,,,,,,,,,,0.0
Cn1c(SCc2nc(-c3ccccc3)no2)nnc1-c1cccs1,CID1007749,,,,,,,,,,,0.0,,,,,,
CCn1c(SCc2nc(-c3ccccc3)no2)nnc1-c1cccs1,CID2212619,,,,,,,,,,,0.0,,,,,,
Cn1c(SCc2nc(-c3ccc(Cl)cc3)no2)nnc1-c1cccs1,CID1007733,,,,,,,,,0.0,,,,,,,,
Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3c(C)cc(C)nn23)c1,CID3237780,,0.0,0.0,,,,,,,,,,,,,,
Cc1cc(C)c2c3c(c(-c4ccccc4)n2n1)c(=O)n(C)c(=O)n3C,CID806956,,,0.0,,,,,,,,,,0.0,,,,
Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3cccnn23)c1,CID651577,,,0.0,0.0,,,0.0,,,,,0.0,0.0,,,,
Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3c(C)cc(C)nn23)cc1,CID3238385,,0.0,,,,,,0.0,,,,,,,,,
Cc1ccnn2c(-c3ccccc3)c3c(=O)n(C)c(=O)n(C)c3c12,CID753711,,0.0,,,,,,,,,,0.0,,0.0,,,
Cn1c(SCCOc2ccc(Cl)cc2)nnc1-c1ccncc1,CID2119780,0.0,,,0.0,0.0,,,,,,,0.0,,,0.0,,
Cc1ccccc1OCCSc1nnc(-c2ccncc2)n1C,CID2415195,,,,,,,,,,,0.0,,,,,,
Cn1c(SCCOc2ccccc2Cl)nnc1-c1ccncc1,CID2105283,,0.0,,,0.0,,,,,,,,,,,,0.0
Cn1c(SCCOc2cccc(Cl)c2)nnc1-c1ccncc1,CID2114155,0.0,,,0.0,0.0,,,,,,0.0,,,,,,0.0
Cc1ccc(OCCSc2nnc(-c3ccncc3)n2C)cc1,CID2120139,0.0,0.0,0.0,,0.0,0.0,0.0,0.0,,,,,0.0,0.0,0.0,,
O=C(O)C1C2C=CC3(CN(Cc4cccs4)C(=O)C13)O2,CID5389664,,,,0.0,,,,,,,,0.0,,,,,
COC(=O)C1C2C=CC3(CN(Cc4cccs4)C(=O)C13)O2,CID5389736,,,,,,,,,0.0,,,0.0,,,,,
CC(C)COC(=O)C1C2C=CC3(CN(Cc4cccs4)C(=O)C13)O2,CID5389778,,,,,,,0.0,,,,,,,,,,
CC(C)OC(=O)C1C2C=CC3(CN(Cc4cccs4)C(=O)C13)O2,CID649660,,,0.0,,,,,,,,,,,,,,
CCOC(=O)C1C2C=CC3(CN(Cc4cccs4)C(=O)C13)O2,CID652207,,,,,,,,,0.0,,,0.0,,,,,
CCOc1ccc(N2C(=O)NC(=O)/C(=C/C=C/c3ccco3)C2=O)cc1,CID2274042,,,,,,0.0,,,,,,,,,,,
CC(C)c1ccc(N2C(=O)NC(=O)/C(=C/C=C/c3ccco3)C2=O)cc1,CID1922631,,,,,,,,,,,,,,0.0,,,
CC(C)c1ccc(N2C(=O)NC(=O)/C(=C\C=C\c3ccco3)C2=O)cc1,CID1922630,,,,,,,,,,,,,,0.0,,,
CCc1ccc(N2C(=O)NC(=O)/C(=C/C=C/c3ccco3)C2=O)cc1,CID1905416,,,,,,0.0,,,,,,,,,,,
Cc1ccc(N2C(=O)NC(=O)/C(=C\C=C\c3ccco3)C2=O)cc1C,CID2275810,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1cnn(-c2nc(CC)nc3sc4c(c23)CCC4)c1N,CID982887,,0.0,,0.0,,,,,,,0.0,,,,,0.0,
Cc1nc(-n2ncc(C#N)c2N)c2c3c(sc2n1)CCC3,CID703726,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1cnn(-c2nc(SC)nc3sc4c(c23)CCC4)c1N,CID1256937,,0.0,,0.0,,,0.0,,,,0.0,,,,,0.0,
CCOC(=O)c1cnn(-c2nc(C)nc3sc4c(c23)CCC4)c1N,CID853239,,0.0,0.0,,,,,0.0,,0.0,,,,,,,
CCOC(=O)c1cnn(-c2ncnc3sc4c(c23)CCC4)c1N,CID793594,,,,0.0,,,,,,0.0,,,0.0,,0.0,0.0,
O=C(C1=C(O)C(=O)N(c2ncccn2)C1c1cccc(Cl)c1)c1ccco1,CID660196,0.0,,,,,,,,,,,,0.0,,,0.0,
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)C2c2cccc(Cl)c2)o1,CID660060,0.0,,0.0,0.0,,,,,,,,,,,,,
O=C(C1=C(O)C(=O)N(c2ncccn2)C1c1ccc(Cl)cc1)c1ccco1,CID2917647,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)C2c2ccc(Cl)cc2)o1,CID660079,0.0,,0.0,,,,,,,,,,0.0,0.0,,,
O=C(C1=C(O)C(=O)N(c2ncccn2)C1c1ccc(Cl)c(Cl)c1)c1ccco1,CID2919497,0.0,,,,,,0.0,,,,,,,,,,
Cc1cccc(NC(=S)NC(=O)/C=C/c2ccco2)n1,CID884777,,,,,,,,,,,,0.0,,,,,
O=C(/C=C/c1ccco1)NC(=S)Nc1ccc(Cl)cn1,CID884612,,,,,,,,,,,0.0,,,,,,
Cc1cccnc1NC(=S)NC(=O)/C=C/c1ccco1,CID883988,,,,,,,,,,0.0,0.0,0.0,,,,,
Cc1ccnc(NC(=S)NC(=O)/C=C/c2ccco2)c1,CID884653,,,,,,,,,,,,,,,0.0,,
O=C(/C=C/c1ccco1)NC(=S)Nc1ccccn1,CID951354,,,,,,,,,,0.0,,,,,0.0,,
CCOC(=O)c1ccc(NC(=O)CCn2nnc3ccccc32)cc1,CID863081,,,,,,,,,,,,,,,0.0,,
Cc1ccc(NC(=O)CCn2nnc3ccccc32)c(C)c1,CID863074,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1cccc(NC(=O)CCn2nnc3ccccc32)c1,CID645409,,,0.0,,,,,0.0,,,,,0.0,0.0,0.0,,
CCOc1cc(NC(=O)CC(C)C)c(OCC)cc1NC(=O)CCn1nnc2ccccc21,CID3173033,,,,,,,,,,,,0.0,,,,,
Cc1cc(C)c(NC(=O)CCn2nnc3ccccc32)c(C)c1,CID857281,,,,,,,,,,,,,,0.0,0.0,,
CCOC(=O)N1CCN(C(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3C)c2)CC1,CID2975690,,,,,,,,0.0,,,0.0,,,,,,
CC(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3)c2)CC1,CID2382010,,,,,,,,,,,,,0.0,,,0.0,
CCOC(=O)N1CCN(C(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)CC1,CID2966874,,,,,,,,,,0.0,0.0,,0.0,,,,0.0
CCOC(=O)N1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)CC1,CID2980124,0.0,,,,0.0,,,,,0.0,,0.0,,,,,0.0
Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCN(C)CC3)ccc2C)cc1,CID2232044,0.0,,0.0,,0.0,,0.0,,,,,,,,0.0,,0.0
O=S(=O)(c1ccccc1)N1CCN=C1SCc1cccc(Cl)c1,CID2148823,,,,,,,,,,,,,,,0.0,,
Cc1ccc(CSC2=NCCN2S(=O)(=O)c2ccccc2)cc1,CID2148724,,,,,,,,,,,,,,0.0,,,
O=S(=O)(c1ccccc1)N1CCN=C1SCc1ccccc1,CID2148561,,,,,,,,,,,,,,,0.0,,
Cc1ccc(S(=O)(=O)N2CCN=C2SCc2ccccc2)cc1,CID2148562,,,,,,,,,,,,,,0.0,0.0,,
O=S(=O)(c1ccccc1)N1CCN=C1SCc1ccccc1Cl,CID2148700,,,,,,,,,,,,,,0.0,,,
COc1ccc(/C(N)=N/OC(=O)COc2ccccc2)cc1OC,CID5348116,,,,,,0.0,,,,,,,,,,,
Cc1cccc(OCC(=O)O/N=C(\N)c2ccc([N+](=O)[O-])cc2)c1,CID5348092,,,,,,0.0,,,,,,,,,,,
COc1ccc(/C(N)=N/OC(=O)COc2ccccc2)cc1,CID5346077,,,,,,0.0,,,,,,,,,,,
COc1cccc(OCC(=O)O/N=C(\N)c2ccc(OC)c(OC)c2)c1,CID9567389,,,,,,,,,,,,,,,0.0,,
N/C(=N\OC(=O)COc1ccccc1Cl)c1ccc(Cl)cc1,CID9567283,,,,,,,,,,,,0.0,,,,,
CCOc1ccc(-n2c(SCC(=O)NCc3ccco3)nc3c(c2=O)SCC3)cc1,CID2155331,,,,,0.0,,0.0,,,0.0,0.0,,0.0,,,,
O=C(CSc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2)NCc1ccco1,CID2052854,,,,,0.0,0.0,,,,,0.0,,,0.0,,,
O=C(CSc1nc2c(c(=O)n1-c1ccc(Br)cc1)SCC2)NCc1ccco1,CID2052891,,,,,,,,,0.0,,,,,,,0.0,
O=C(CSc1nc2c(c(=O)n1-c1ccc(Cl)cc1)SCC2)NCc1ccco1,CID2155431,,0.0,,,,,,,0.0,,,,,0.0,,,
CC1Cc2nc(SCC(=O)NCc3ccco3)n(-c3ccccc3)c(=O)c2S1,CID4530632,0.0,0.0,,0.0,0.0,,,,,,,,0.0,,,,
Cc1ccc2c(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)cc(=O)oc2c1C,CID2045080,0.0,,,,0.0,,0.0,,0.0,,,0.0,,,,,
Cc1cc(C)c2oc(=O)cc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)c2c1,CID665606,0.0,,0.0,,0.0,,0.0,,,,,0.0,,,,0.0,
Cc1cc2oc(=O)cc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)c2cc1C,CID665814,0.0,,0.0,,0.0,,,,0.0,0.0,,0.0,0.0,,,,0.0
Cc1cc(C)c2c(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)cc(=O)oc2c1C,CID665483,0.0,,0.0,,0.0,0.0,,,,0.0,0.0,0.0,,,,,
Cc1cc(C)c2c(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)cc(=O)oc2c1,CID665774,0.0,,,,0.0,0.0,0.0,,,,,0.0,0.0,,,,
CCCC[n+]1ccn(-c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)c1,CID1595670,,,,,,0.0,,,0.0,,,,,,,,
CC(C)CC[n+]1ccn(-c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)c1,CID1389939,,,,,,0.0,,,,,,,,,,,
CCCCC[n+]1ccn(-c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(C)cc2)c1,CID1609824,,,,,,,,,,,0.0,,,,,,
Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2-n2cc[n+](CCC(C)C)c2)cc1,CID1420272,,,,,,,,,,,0.0,,,,0.0,,
CCCC[n+]1ccn(-c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(C)cc2)c1,CID1589133,,,,,,,,,,,,,,0.0,,,
CCN(CC)C(=O)C1CCCN(C/C(C)=C/c2ccccc2)C1,CID5310615,,,,,,0.0,,,,,0.0,,,,,,
CCOC(=O)C1CCN(C/C=C/c2ccccc2OC)CC1,CID782871,,,0.0,,,,0.0,,,,0.0,,,,,0.0,0.0
CC1CCCCN1C/C=C/c1ccccc1[N+](=O)[O-],CID5339411,,,,,,0.0,,,,,,,,,,,
CCN(CC)C(=O)C1CCCN(C/C=C/c2ccccc2)C1,CID5310857,,,,0.0,,,,,,,,,,,,,
CC1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1,CID5721715,,,,,,0.0,,,,,,,,,,,
Cc1cc(C=O)c(C)n1-c1ccc(N2CCOCC2)cc1,CID819824,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C)n1-c1ccc(N2CCOCC2)c(Br)c1,CID886798,,,,,,,,,0.0,,,,,,,,
O=[N+]([O-])c1cc(-n2cccc2)ccc1N1CCOCC1,CID7150387,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C)n1-c1ccc(N2CCOCC2)cc1,CID1812537,0.0,,0.0,,,,,,,,,,,,,0.0,
CNC(=O)C(=O)c1cc(C)n(-c2ccc(N3CCOCC3)c(Cl)c2)c1C,CID2766068,,,,,,0.0,,,,,,,,,,,
CS(=O)(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)c1ccccc1,CID646083,,,0.0,0.0,,,,,,,0.0,,,,,0.0,
CS(=O)(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)c1ccc(Cl)cc1,CID649907,0.0,,0.0,0.0,0.0,,,,,,,,0.0,,,,0.0
CC(C(=O)NCc1ccc2c(c1)OCO2)N(c1ccccc1)S(C)(=O)=O,CID646001,,,,0.0,,,0.0,0.0,,,,,0.0,,,,
Cc1cc(Cl)ccc1N(CC(=O)NCc1ccc2c(c1)OCO2)S(C)(=O)=O,CID1091433,,,,,,,,,,,,,,,0.0,,
Cc1ccc(N(CC(=O)NCc2ccc3c(c2)OCO3)S(C)(=O)=O)cc1,CID644904,,,,0.0,,,,,,,,,,,,0.0,0.0
CC(C)(C)NC(=O)C(c1ccco1)N(Cc1ccc(F)cc1)C(=O)c1snc(C(N)=O)c1N,CID646665,,,,,0.0,,,,,0.0,0.0,,,,,0.0,
CC(C)CCNC(=O)C(c1ccco1)N(Cc1ccc(F)cc1)C(=O)c1snc(C(N)=O)c1N,CID652777,,,0.0,,0.0,,,,,,0.0,,,,,,
COc1ccc(CN(C(=O)c2snc(C(N)=O)c2N)C(C(=O)NC(C)(C)C)c2ccco2)cc1,CID655189,,,,,0.0,,,,,,0.0,,,,,,
CC(C)CCNC(=O)C(c1ccco1)N(Cc1ccccc1)C(=O)c1snc(C(N)=O)c1N,CID646600,,,0.0,,0.0,,,,,0.0,,,,,,0.0,
CCC(C)(C)NC(=O)C(c1ccc(F)cc1)N(Cc1ccco1)C(=O)c1snc(C(N)=O)c1N,CID653453,,,,,0.0,,,,,,,,,,,,
Cc1cccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N2CCOCC2)c1,CID1005871,0.0,,,,,0.0,,0.0,,,,,,,,0.0,
O=C(CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1)N1CCOCC1,CID1005643,0.0,0.0,0.0,,0.0,,0.0,,,,,0.0,,,0.0,,
O=C(CSc1nnc(Cc2ccccc2)n1-c1cccc(Cl)c1)N1CCOCC1,CID645334,0.0,0.0,0.0,0.0,0.0,,,,0.0,,,0.0,,,,,
O=C(CSc1nnc(Cc2ccccc2)n1-c1ccccc1)N1CCOCC1,CID656172,0.0,,,,,,,,,,,,,,,0.0,0.0
O=C(CSc1nnc(Cc2ccccc2)n1-c1ccc(F)cc1)N1CCOCC1,CID1319630,0.0,,,0.0,0.0,,,,,,,,,0.0,,,
CCOC(=O)c1ccc(N/C=C/C(=O)c2cccs2)cc1,CID872141,,,,,,0.0,,,,,,,,,,,
CNc1cc([N+](=O)[O-])ccc1N/C=C/C(=O)c1cccs1,CID5725076,,,,,,,,,,,0.0,,,,,,
O=C(/C=C/Nc1ccccc1C(=O)O)c1cccs1,CID2208936,,,,,,,,,,,,,,0.0,,,
COc1cc([N+](=O)[O-])ccc1N/C=C/C(=O)c1cccs1,CID5739690,,,,,,,,,,0.0,,,,,,,
O=C(/C=C/Nc1ccc(Br)cc1F)c1cccs1,CID2210642,,,,,,,,,,,,,,0.0,,,
C#CCN1C(=O)C(O)(CC(=O)c2ccc3c(c2)OCCO3)c2ccccc21,CID2939973,,,,,,,,,,,,,0.0,,,0.0,0.0
C=C(C)CN1C(=O)C(O)(CC(=O)c2ccc3c(c2)OCCO3)c2ccccc21,CID2977413,,,0.0,,,,,,,,,,,,,,
N#CCCCN1C(=O)C(O)(CC(=O)c2ccc3c(c2)OCCO3)c2ccccc21,CID2945676,,,0.0,,,,,,,0.0,,,,,,,
CCN1C(=O)C(O)(CC(=O)c2ccc3c(c2)OCCO3)c2ccccc21,CID3152132,,,0.0,0.0,,,0.0,,,,0.0,,,,,0.0,
CCCN1C(=O)C(O)(CC(=O)c2ccc3c(c2)OCCO3)c2ccccc21,CID2968465,,,,,,,,,,,,,,,,0.0,
CCn1nc(NC(=O)c2ccccn2)c2cc3cccc(C)c3nc21,CID665268,,0.0,0.0,,,0.0,,0.0,,,,,,0.0,,,
Cc1cccc2cc3c(NC(=O)c4ccccn4)nn(C)c3nc12,CID665242,,0.0,0.0,,,0.0,,,,,,0.0,,0.0,0.0,0.0,
Cc1ccc2nc3c(cc2c1)c(NC(=O)c1ccccn1)nn3CC(C)C,CID1400841,,,,,,,,,,,,0.0,,,,,
CCCn1nc(NC(=O)c2ccccn2)c2cc3cc(C)ccc3nc21,CID1397035,,,,,,,,,,,,0.0,,,,,
CCn1nc(NC(=O)c2ccccn2)c2cc3cc(C)ccc3nc21,CID665090,,0.0,,0.0,,,,0.0,,,0.0,,0.0,0.0,,,
COc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)C2CCCO2)cc1,CID665263,0.0,,0.0,,0.0,0.0,,,0.0,0.0,,,,,,,
CCOc1ccc(N(Cc2cc3cc(OC)ccc3[nH]c2=O)C(=O)C2CCCO2)cc1,CID665197,0.0,,0.0,,0.0,,,,0.0,0.0,,,0.0,,,,
COc1ccc2[nH]c(=O)c(CN(C(=O)C3CCCO3)c3ccc(C)cc3)cc2c1,CID664927,0.0,,0.0,,0.0,0.0,,,0.0,0.0,,,,,,,
COc1ccc2[nH]c(=O)c(CN(C(=O)C3CCCO3)c3cccc(C)c3)cc2c1,CID665125,0.0,,,,0.0,,,,0.0,,,,,,,,
COc1ccc(N(Cc2cc3cc(OC)ccc3[nH]c2=O)C(=O)C2CCCO2)cc1,CID665049,,,0.0,,0.0,,,0.0,0.0,0.0,,,0.0,0.0,,,
O=C(NCc1ccco1)c1ccc(CS(=O)(=O)Cc2ccc(F)cc2)o1,CID3242662,,,,,,,,,,,,,0.0,,,,0.0
Cc1ccc(CS(=O)(=O)Cc2ccc(C(=O)NCc3ccco3)o2)cc1,CID3243143,,,,,,0.0,,,,,,0.0,,,,,
O=C(NCc1ccco1)c1ccc(CS(=O)(=O)Cc2ccc(Cl)cc2)o1,CID3238880,0.0,,,,,,0.0,,,0.0,0.0,,,,,,
Cc1ccccc1CS(=O)(=O)Cc1ccc(C(=O)NCc2ccco2)o1,CID3242263,,,,0.0,,,,,,,,,,,,0.0,
Cc1cccc(CS(=O)(=O)Cc2ccc(C(=O)NCc3ccco3)o2)c1,CID3243900,,,,,,,,0.0,,,,,,,,0.0,
O=C(NCc1ccco1)C(c1cccnc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(F)cc1,CID652394,,,,,,,,,,0.0,,,,,,,
COc1ccc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NCc2ccco2)c2cccnc2)cc1,CID653446,,,,,,,,,,0.0,0.0,0.0,0.0,,,,
Cc1ccc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NCc2ccco2)c2cccnc2)cc1,CID647425,,,,,,,,,,,,0.0,0.0,,,,
COc1cccc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NCc2ccco2)c2cccnc2)c1,CID645568,,0.0,,,,,,,,,,,,,,,
O=C(NCc1ccco1)C(c1cccnc1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1,CID646448,,,,,,,,,,0.0,,0.0,,,,,0.0
CC(C)NS(=O)(=O)c1ccc(CCC(=O)NCc2ccco2)cc1,CID644652,,,,,0.0,,0.0,,0.0,,,,,,,0.0,
CC(C)CNS(=O)(=O)c1ccc(CCC(=O)NCc2ccco2)cc1,CID1210897,,,,0.0,0.0,,,,0.0,,,,,,,,
CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)NCc2ccco2)cc1,CID651636,,,,,0.0,,0.0,0.0,,,,,,,,,
CCCNS(=O)(=O)c1ccc(CCC(=O)NCc2ccco2)cc1,CID1796343,,,,,0.0,,,,0.0,,0.0,,,,,,
COc1ccc(CCC(=O)NCc2ccco2)cc1,CID897621,,,,,,,,,,0.0,,,0.0,,,0.0,0.0
C=CCc1ccc(OCCCCN2CCC(C)CC2)c(OC)c1,CID2888092,,,,,,0.0,,,,,,,,,,,
CC1CCN(CCCCOc2ccc([N+](=O)[O-])cc2)CC1,CID2270709,,,,,,,,,,,,0.0,,,0.0,,
COc1cccc(OCCCCN2CCCCC2)c1,CID2058926,,0.0,,,,,,,,,0.0,,,,,0.0,
CCOc1cccc(OCCCCN2CCCCC2)c1,CID2298166,,,,,,0.0,,,,,0.0,,,,,,
O=[N+]([O-])c1ccccc1OCCCCN1CCCCC1,CID2238088,,,,,,0.0,,,,,,,,,,,
O=C(CN1C(=O)NC(Cc2ccccc2)C1=O)Nc1ccccc1,CID2997550,,0.0,,,,,,,,,,0.0,0.0,,,,
Cc1cccc(NC(=O)CN2C(=O)NC(Cc3ccccc3)C2=O)c1,CID9552051,,,,,,,,,,,0.0,,,,,,
O=C(CN1C(=O)NC(Cc2ccccc2)C1=O)Nc1ccc(F)cc1,CID2998543,0.0,,0.0,,,,,0.0,,,,,,,,,0.0
N#Cc1ccc(NC(=O)CN2C(=O)NC(Cc3ccccc3)C2=O)cc1,CID2999125,,0.0,0.0,,,,0.0,0.0,,,,,,,,,
Cc1ccc(NC(=O)CN2C(=O)NC(Cc3ccccc3)C2=O)cc1,CID2999777,,,,,,,,,,,,,,,,,0.0
Cc1cc(NC(=O)CCC(=O)N(c2ccccc2)C(C(=O)NC2CCCC2)c2ccncc2)no1,CID655623,,,,,,,,,,0.0,0.0,0.0,,,,,
Cc1cccc(N(C(=O)CCC(=O)Nc2cc(C)on2)C(C(=O)NC2CCCC2)c2ccncc2)c1,CID646080,,,,,,,0.0,,,0.0,,,,,,,
Cc1cc(NC(=O)CCC(=O)N(c2ccc(F)cc2)C(C(=O)NC2CCCC2)c2ccncc2)no1,CID648902,,,,,,,,,,,,,0.0,,,,
Cc1cc(NC(=O)CCC(=O)N(c2cccc(F)c2)C(C(=O)NC2CCCC2)c2ccncc2)no1,CID654425,,,,,,,,,,,0.0,,,,,,
Cc1ccc(N(C(=O)CCC(=O)Nc2cc(C)on2)C(C(=O)NC2CCCC2)c2ccncc2)cc1,CID645638,,,,,,,,,,0.0,,,,,,,
Cc1ccc2cc(CN(CCCO)S(=O)(=O)c3cccc4nsnc34)c(=O)[nH]c2c1,CID3183841,,,,,,0.0,,,,,,,,,,,
Cc1ccc2[nH]c(=O)c(CN(CCCO)S(=O)(=O)c3c(C)ccc4nsnc34)cc2c1,CID651888,,,,,0.0,,,,,,0.0,,,0.0,,0.0,
Cc1cc2cc(CN(CCCO)S(=O)(=O)c3cccc4nsnc34)c(=O)[nH]c2cc1C,CID645026,,,,,0.0,0.0,,,,,0.0,,,,,0.0,
Cc1ccc2[nH]c(=O)c(CN(CCCO)S(=O)(=O)c3cccc4nsnc34)cc2c1,CID650927,,,,0.0,0.0,0.0,,,,,,,,,,,
Cc1ccc2cc(CN(CCCO)S(=O)(=O)c3cccc4nsnc34)c(=O)[nH]c2c1C,CID645485,,0.0,0.0,,0.0,,,,,,0.0,,,,,0.0,
Cc1ccc(N(CC(=O)NCCSCc2ccco2)S(C)(=O)=O)cc1,CID3153354,,,,,,0.0,,,,0.0,,,,,,,
Cc1ccc(C)c(N(CC(=O)NCCSCc2ccco2)S(C)(=O)=O)c1,CID645453,,,,,0.0,0.0,0.0,,,,0.0,,0.0,,,,0.0
Cc1ccccc1N(CC(=O)NCCSCc1ccco1)S(C)(=O)=O,CID2286723,,0.0,,,0.0,,,,,0.0,,,0.0,,,,
CS(=O)(=O)N(CC(=O)NCCSCc1ccco1)c1ccc(Cl)cc1,CID2287823,,,,,,,,,,,,,,0.0,,,
CCc1ccccc1N(CC(=O)NCCSCc1ccco1)S(C)(=O)=O,CID2288580,,,,,0.0,0.0,0.0,,,0.0,0.0,0.0,,,,,
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\N(C)C,CID2882008,,,,,,,,,,,,,,,0.0,,
CCOC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/NCC(=O)OC,CID5524318,,,,,,,,,,,,,,0.0,,,
COC(=O)CN/C=C1\C(=O)N(c2ccccc2)N=C1C,CID6346151,,,,,,,,,,,,,,0.0,,,
CC1=NN(c2ccccc2)C(=O)/C1=C/NO,CID5310925,,,,,,,,,,,,0.0,,,,,0.0
CCCCN(CCCC)C(=S)NN/C=C1\C(=O)N(c2ccccc2)N=C1C,CID11958865,,,,,,0.0,,,,,,,,,,,
Cc1ccc(/C=N/NC(=O)Cn2nc(C)c(Br)c2C)o1,CID942283,,,,,,,,,0.0,,,0.0,,,0.0,,
Cc1ccc(/C=N/NC(=O)Cn2nccc2C)o1,CID728537,,,,,,0.0,,,0.0,,,0.0,,,,,
Cc1ccnn1CC(=O)N/N=C/c1ccco1,CID936291,,,,,,,,,0.0,,,0.0,,0.0,0.0,,
Cc1cc(C)n(CC(=O)N/N=C/c2ccc(C)o2)n1,CID745908,,,,,,,,,,,,0.0,,,0.0,,
Cc1cc(C)n(CC(=O)N/N=C/c2ccco2)n1,CID745890,,,,,,,,,0.0,,,0.0,,0.0,0.0,,
O=C(O)c1ccccc1SCC(=O)N1CCCCC1,CID686900,,,,,,0.0,0.0,0.0,0.0,,,0.0,0.0,,,,
CCOC(=O)C1CCN(C(=O)CSc2ccc(Cl)cc2)CC1,CID769763,,,,,,,,,,0.0,0.0,,,,,,
CCOC(=O)C1CCN(C(=O)CSc2ccccc2)CC1,CID807612,,,,,,,,0.0,0.0,,,,0.0,,,,0.0
COC(=O)C1CCN(C(=O)CSc2ccccc2)CC1,CID2914521,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C1CCN(C(=O)C(C)Sc2ccc(Cl)cc2)CC1,CID3151135,,,,,,,,,0.0,,,,,0.0,,,
CC(=O)N(c1ccc(Cl)cc1)c1c[nH]c2ccccc12,CID808156,0.0,0.0,0.0,,,,0.0,,,,,,,,,,
CC(=O)n1cc(Nc2ccccc2C(=O)O)c2ccccc21,CID755475,,,0.0,,0.0,,,,0.0,,,,,,0.0,,
CC(=O)N(c1ccc(Cl)cc1)c1cn(C(C)=O)c2ccccc12,CID2289673,,,,,,,,,,,,,,0.0,,,
O=C(CCl)N(c1ccccc1)c1c[nH]c2ccccc12,CID818740,,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1ccccc1Nc1cn(C(C)=O)c2ccccc12,CID878641,,,,,,,,,0.0,,0.0,0.0,,,,,
Cc1ccccc1NC(=O)CC1S/C(=N\c2nccs2)N(C)C1=O,CID3127418,,,,,,0.0,,,0.0,0.0,0.0,,,,,,
Cc1ccc(NC(=O)CC2S/C(=N\c3nccs3)N(C)C2=O)c(C)c1,CID3127419,,,,,,0.0,,,,0.0,0.0,,,,,,
Cc1cccc(NC(=O)CC2S/C(=N\c3nccs3)N(C)C2=O)c1,CID3127417,,,,,,,,,0.0,0.0,,0.0,,,,,
CCc1ccccc1NC(=O)CC1S/C(=N\c2nccs2)N(CC)C1=O,CID648046,0.0,,0.0,0.0,0.0,0.0,,,0.0,0.0,,,,,0.0,,
COc1ccc(NC(=O)CC2S/C(=N\c3nccs3)N(C)C2=O)cc1,CID3136257,,,,,,,,,,,,,,0.0,,,
C=CCn1c(CNC(=O)c2cccs2)nnc1SCC(=O)Nc1ccc(C(=O)O)cc1,CID2212622,,,,,,,,,0.0,,,0.0,,,0.0,,
CCn1c(CNC(=O)c2cccs2)nnc1SCC(=O)Nc1cc(Cl)ccc1C,CID2214229,,,,,,0.0,,,,,0.0,,,,,,
C=CCn1c(SCC(=O)Nc2cccc(C(=O)OC)c2)nnc1C(C)NC(=O)c1cccs1,CID2959365,,,0.0,0.0,0.0,,,,0.0,0.0,,0.0,,,0.0,0.0,0.0
CCn1c(CNC(=O)c2cccs2)nnc1SCC(=O)Nc1ccc(Cl)cc1,CID986504,,,,,,,,,0.0,,,0.0,,0.0,,,
Cn1c(CNC(=O)c2cccs2)nnc1SCC(=O)Nc1ccc(Cl)cc1,CID986500,,,,,,,,,0.0,,0.0,,,,,,
Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1noc2c1CCCCC2,CID3243280,,,0.0,,,,,0.0,,0.0,,,,,,,0.0
Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)c1noc2c1CCCCC2,CID3241605,0.0,,,,,,0.0,,,,,,,,,,
Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)c1noc2c1CCCCC2,CID3239448,0.0,,,,,,,,,,,,,,,,
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)c1noc2c1CCCCC2,CID3240004,0.0,,,0.0,,,,,,,,,,0.0,,,0.0
Cc1ccc(Cn2nc(C)c(NC(=O)c3noc4c3CCCCC4)c2C)cc1,CID3240542,0.0,0.0,0.0,0.0,,,,,,,0.0,,,,,,
COc1ccc(CNC(=O)CCc2nc(-c3ccccc3F)no2)c(OC)c1,CID3236199,,,,,,,0.0,,,,,0.0,,,,,
COc1ccc(Br)cc1CNC(=O)CCc1nc(-c2ccc(C)cc2)no1,CID3245363,0.0,,,,,,,,,,,,,,,0.0,
Cc1cccc(-c2noc(CCC(=O)NCc3ccccc3)n2)c1,CID667320,0.0,0.0,,,,0.0,,,0.0,,,,,,,0.0,
CCN(Cc1ccccc1)C(=O)CCc1nc(-c2ccc(C)cc2)no1,CID3241309,0.0,0.0,0.0,0.0,,,,,0.0,,,0.0,0.0,,,0.0,
COc1ccc(Br)cc1CNC(=O)CCc1nc(-c2ccccc2F)no1,CID3243551,0.0,,,,,,,,0.0,,,,,0.0,,0.0,0.0
Cc1ccc(Nc2nnc(SCC(=O)NCc3ccco3)s2)cc1,CID2646358,0.0,,0.0,,0.0,,0.0,0.0,1.0,0.0,0.0,,,,,,
O=C(CSc1nnc(Nc2ccccc2)s1)NCc1ccco1,CID2107368,,0.0,,,0.0,,0.0,,0.0,0.0,,,0.0,0.0,,,
Cc1cccc(C)c1Nc1nnc(SCC(=O)NCc2ccco2)s1,CID2128733,0.0,0.0,,0.0,0.0,,0.0,0.0,,0.0,,,0.0,,0.0,,
O=C(CSc1nnc(Nc2ccccc2F)s1)NCc1ccco1,CID2350751,,,,,0.0,0.0,,,,,0.0,,,0.0,0.0,,0.0
Cc1ccccc1Nc1nnc(SCC(=O)NCc2ccco2)s1,CID2367979,0.0,0.0,,0.0,0.0,0.0,0.0,0.0,,1.0,,,,,,,
CC(C)Cc1nnc(NC(=O)CSc2nc(=O)cc(N)n2-c2ccccc2)s1,CID2947789,,0.0,,,,,,,,,,,,,,0.0,0.0
Cc1cccc(-n2c(N)cc(=O)nc2SCC(=O)Nc2nnc(C)s2)c1,CID2171844,,,,,,,,,,0.0,0.0,0.0,,,,,
CCCCc1nnc(NC(=O)CSc2nc(=O)cc(N)n2-c2cccc(C)c2)s1,CID2215567,,,,,,,,,,,,0.0,,,,,
CCCCc1nnc(NC(=O)CSc2nc(=O)cc(N)n2-c2ccccc2)s1,CID2958730,,0.0,,,,,,,0.0,0.0,,,0.0,,,0.0,
Cc1cccc(-n2c(N)cc(=O)nc2SCC(=O)Nc2nnc(CC(C)C)s2)c1,CID2198365,,,,,,0.0,,,0.0,,,0.0,,,,,
Cc1cc(C)n(CC2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)n1,CID661367,0.0,,,,,,,,,,,,,,,,
Cc1cc(C)n(CC2CC(=O)N(c3ccc(C)c(Cl)c3)C2=O)n1,CID661348,0.0,,0.0,0.0,,,0.0,,,,,,0.0,0.0,,,
Cc1ccc(N2C(=O)CC(Cn3nc(C)cc3C)C2=O)cc1,CID661347,,0.0,,,,,,0.0,,,0.0,,,,,,
Cc1cc(C)n(CC2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)n1,CID661488,0.0,,,,,,,,,,,,0.0,,,,
Cc1cc(C)n(CC2CC(=O)N(c3ccc(F)c(Cl)c3)C2=O)n1,CID661506,,,,0.0,,,,,,,,,,,,,
Cc1ccc(N(CC(=O)NCc2ccncc2)S(C)(=O)=O)cc1,CID789743,,,,,,0.0,,,0.0,0.0,,,,,,,
Cc1ccc(N(CC(=O)NCc2ccncc2)S(C)(=O)=O)cc1Cl,CID652499,0.0,0.0,,,0.0,,,,,0.0,,0.0,,,,,0.0
COc1ccc(OC)c(N(CC(=O)NCc2ccncc2)S(C)(=O)=O)c1,CID1143213,,,,,,,,,,,0.0,,,,,,
Cc1ccccc1N(CC(=O)NCc1ccncc1)S(C)(=O)=O,CID648317,,,,0.0,,,0.0,0.0,0.0,,0.0,,,,,0.0,0.0
CS(=O)(=O)N(CC(=O)NCc1ccncc1)c1cc(Cl)cc(Cl)c1,CID1148772,,,,,,,,,,,,,0.0,,,,
CC(C)c1ccc(N2C(=O)C3Cc4ccccc4CN3C2=O)cc1,CID666082,0.0,,0.0,,0.0,,,,,0.0,,,0.0,0.0,,,
Cc1ccccc1N1C(=O)C2Cc3ccccc3CN2C1=O,CID667195,0.0,,,,0.0,,,,,0.0,,,,0.0,,,
COc1ccc(N2C(=O)C3Cc4ccccc4CN3C2=O)cc1,CID660129,,0.0,,,,,,,,0.0,,,,,,,
O=C1C2Cc3ccccc3CN2C(=O)N1c1cccc(F)c1,CID666869,,,0.0,,,,,0.0,,,,,0.0,,,,
Cc1ccc(N2C(=O)C3Cc4ccccc4CN3C2=O)cc1,CID667003,0.0,0.0,,,0.0,,,,,0.0,,,0.0,0.0,,0.0,
O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1cccnc1,CID747657,,0.0,0.0,,,,,,,,,,0.0,,0.0,0.0,0.0
O=C(Nc1ccc(N2CCCCC2)cc1)c1cccnc1Cl,CID1480249,,,,,,,,,,,,0.0,,,0.0,,
O=C(Nc1ccc(N2CCCCC2)cc1)c1cncc(Br)c1,CID1184632,0.0,,,,,,0.0,,,,0.0,,,,0.0,0.0,0.0
CC1CCN(c2ccc(NC(=O)c3cccnc3)cc2)CC1,CID954496,,,,,,,,0.0,,,0.0,,,0.0,,0.0,
O=C(Nc1ccc(N2CCCCC2)cc1)c1cccnc1,CID650959,0.0,,,0.0,,,0.0,0.0,,,,,,,0.0,0.0,
C/C(=C\c1ccccc1)CN1CCN(c2ccccc2)CC1,CID2056866,,,,,,,,,,,,,0.0,,,,
COc1ccccc1N1CCN(C/C(C)=C/c2ccccc2)CC1,CID2244840,,,,,,,,0.0,,,,0.0,,,0.0,,0.0
COc1ccccc1/C=C/CN1CCN(c2ccccc2)CC1,CID783076,,,,,,,,,0.0,,,,,,,,
C/C(=C\c1ccccc1)CN1CCN(c2cccc(Cl)c2)CC1,CID2056919,,,,,,,,,0.0,,,,,,,,
CCOc1ccccc1N1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1,CID1376242,,,,,,,,,,,,0.0,,,,,
CC1CCN(c2cc(N3CCOCC3)c([N+](=O)[O-])cc2F)CC1,CID2913960,,,,,,,,,,,,,,,0.0,,
O=[N+]([O-])c1cc(F)c(N2CCOCC2)cc1N1CCCCC1,CID2872001,,,,,,0.0,,,,,,,,,,,
NC(=O)C1CCN(c2cc(N3CCOCC3)ccc2[N+](=O)[O-])CC1,CID2954849,,,,,,,,,,,,,,0.0,,,
O=[N+]([O-])c1cc(F)c(N2CCCCC2)cc1N1CCOCC1,CID2872322,,,,,,0.0,,,,,,,,,,,
CC1CCN(c2cc(N3CCOCC3)c(F)cc2[N+](=O)[O-])CC1,CID2914400,,,,,,0.0,,,,,,0.0,,,,,
COC(=O)c1ccc(CON2C(=O)c3ccccc3C2=O)cc1,CID2764237,,,,,,0.0,,,,,,0.0,,,0.0,,
O=C1c2ccccc2C(=O)N1OCc1c(F)cccc1Cl,CID1486589,,,,,,,,,,,,,,0.0,,,
O=C1c2ccccc2C(=O)N1OCc1ccc(Cl)cc1,CID1474087,,,,,,,,,,0.0,,,,0.0,,,
O=C1c2ccccc2C(=O)N1OCc1ccccc1,CID255292,,,,0.0,,,0.0,0.0,0.0,,,,0.0,0.0,0.0,,
O=C1c2ccccc2C(=O)N1OCc1cccc(Cl)c1,CID1477060,,,,,,,,,,0.0,,,,,,,
NNC(=O)c1sccc1OCc1ccc(Cl)cc1,CID2764231,,,,,,,,,,,,,,,0.0,,
COC(=O)c1sc(OC)cc1OCc1ccc(C)cc1,CID1482518,,,,,,,,,,0.0,,,,0.0,,,
Cc1ccc(COc2ccsc2C(=O)O)cc1,CID1482497,,,,,,,,,,,,,,0.0,,,
CNC(=S)NNC(=O)c1sccc1OCc1ccccc1,CID1482492,,,,,,0.0,,,,,,,,,,,
O=C(O)c1sccc1OCc1ccccc1,CID2766733,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(NC(=O)c2ccc3snnc3c2)cc1,CID1072943,,,,,,,,,,0.0,0.0,0.0,,,,,
Cc1ccccc1NC(=O)c1ccc2snnc2c1,CID2823532,,,,,,,,,,,,,,,0.0,,
COc1cccc(NC(=O)c2ccc3snnc3c2)c1,CID804801,,,,,,,,,,0.0,,,,,,,
COc1ccc(N(C)C(=O)c2ccc3snnc3c2)cc1,CID5307296,,,,,,,,0.0,0.0,,,,,,,0.0,
COc1ccc(NC(=O)c2ccc3snnc3c2)cc1,CID1072930,,,,,,,,,,0.0,,0.0,,,,,
CCn1cc(C(=O)Nc2ccccc2C(=O)OC)c(=O)c2ccc(C)nc21,CID3241150,,,,,,,,,0.0,,,,,,,,
CCCOC(=O)c1ccc(NC(=O)c2cn(CC)c3nc(C)ccc3c2=O)cc1,CID2114635,,,,,,,,,0.0,,,,,,,,
CCn1cc(C(=O)Nc2ccc(C)cc2C)c(=O)c2ccc(C)nc21,CID859279,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1ccccc1NC(=O)c1cn(CC)c2nc(C)ccc2c1=O,CID3244970,,,,,0.0,,,0.0,,,,,,,,,
CCn1cc(C(=O)Nc2cccc(C(=O)OC)c2)c(=O)c2ccc(C)nc21,CID651144,,,,0.0,,,,,,,,,,,,,
Cc1cc(C)c(NC(=O)/C(=C/c2ccco2)c2ccccc2)c(C)c1,CID2430757,,,,,,0.0,,,,,,,,,,,
CCc1ccccc1NC(=O)/C(=C/c1ccco1)c1ccccc1,CID881720,,,,,,0.0,,,,0.0,,0.0,,,,,
Cc1cccc(C)c1NC(=O)/C(=C/c1ccco1)c1ccccc1,CID881454,,,,,,,,,,,,0.0,,,,,
Cc1ccccc1NC(=O)/C(=C/c1ccco1)c1ccccc1,CID882543,,,,,,,,,,,0.0,,,,,,
Cc1ccc(NC(=O)/C(=C/c2ccco2)c2ccccc2)c(C)c1,CID882964,,,,,,0.0,,,,,,0.0,,,,,
COc1ccc(S(=O)(=O)/N=C2\C=CC(=O)C(C)=C2C)cc1,CID706389,,,,,,,,,,,,0.0,,0.0,,,
COc1ccc(S(=O)(=O)N=C2C=C(C)C(=O)C(C)=C2)cc1,CID706402,,,,,,0.0,,,,,,0.0,,,,,
CC1=C/C(=N\S(=O)(=O)c2ccccc2)C(C(C)C)=CC1=O,CID693418,,,,,,,,,,,,,,0.0,,,
CC(C)C1=CC(=NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C=C(C(C)C)C1=O,CID2909168,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)c(S(=O)(=O)/N=C2\C=CC(=O)C(Cl)=C2)c(C)c1,CID4130529,,,,,,,,,,1.0,,,,,0.0,,
COc1ccc(C2C(C(C)=O)=C(O)C(=O)N2c2nccs2)cc1OC,CID660560,,0.0,0.0,,,,,,,,,,0.0,,,,
COc1ccc(C2C(C(C)=O)=C(O)C(=O)N2c2nccs2)cc1,CID2890485,,,,,,,,,,,0.0,,,,,,
CC(=O)C1=C(O)C(=O)N(c2nccs2)C1c1ccccc1,CID2890212,,,,,,,,,,,0.0,,,,,,
CC(=O)C1=C(O)C(=O)N(c2nccs2)C1c1ccc(Br)cc1,CID2890566,,,,,,,,,0.0,,,,,0.0,,,
COc1ccc(C2C(C(C)=O)=C(O)C(=O)N2c2nccs2)c(OC)c1,CID2888991,,,,,,,,,,,,,,0.0,,,
CCCOc1ccc(N2C(=O)CC(N3CCN(C(=O)c4ccco4)CC3)C2=O)cc1,CID661619,0.0,,,0.0,,,,,,,,,,,,,
CCCCCCOc1ccc(N2C(=O)CC(N3CCN(C(=O)c4ccco4)CC3)C2=O)cc1,CID660177,,0.0,,,0.0,,,0.0,,,0.0,0.0,,,,,
CCOC(=O)c1ccc(N2C(=O)CC(N3CCN(C(=O)c4ccco4)CC3)C2=O)cc1,CID661755,,,,,,0.0,,,0.0,,,,0.0,,,,
COc1cccc(N2C(=O)CC(N3CCN(C(=O)c4ccco4)CC3)C2=O)c1,CID3339184,,,,,,,,,,,0.0,,,,,,
COC(=O)c1ccc(N2C(=O)CC(N3CCN(C(=O)c4ccco4)CC3)C2=O)cc1,CID660075,,,,,,,,0.0,,,,,0.0,,,,
COC(=O)c1ccc(CSc2nnc(Nc3ccc(C)cc3)s2)o1,CID2106180,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccc(CSc2nnc(Nc3ccc(OC)cc3)s2)o1,CID2617396,,,,,,,,,0.0,0.0,0.0,,,0.0,0.0,,
COC(=O)c1ccc(CSc2nnc(Nc3ccccc3OC)s2)o1,CID2611574,0.0,,0.0,,0.0,0.0,,,,,,,,0.0,,,
CCOc1ccccc1Nc1nnc(SCc2ccc(C(=O)OC)o2)s1,CID2088000,0.0,,0.0,,0.0,,,,0.0,0.0,0.0,,,,0.0,,
COC(=O)c1ccc(CSc2nnc(Nc3cccc(OC)c3)s2)o1,CID2559371,,,,,,0.0,,,0.0,0.0,0.0,0.0,,0.0,,,
O=C(NCc1cccnc1)C1c2ccccc2C(=O)N1Cc1ccccc1,CID6625200,,,,,,,,,,,0.0,,,,,,
Cc1ccc(CN2C(=O)c3ccccc3C2C(=O)NCc2cccnc2)cc1,CID9550187,,,,,,0.0,,,,,,,,,,,
COc1ccc(OC)c(CN2C(=O)c3ccccc3C2C(=O)NCc2cccnc2)c1,CID5308839,0.0,,,,,,,0.0,,,,,,,,,
CCOc1ccc(CN2C(=O)c3ccccc3C2C(=O)NCc2cccnc2)cc1,CID3240726,0.0,,,,0.0,,0.0,,0.0,,,0.0,,,,,
COc1ccc(CN2C(=O)c3ccccc3C2C(=O)NCc2cccnc2)c(OC)c1,CID3236139,0.0,,0.0,,0.0,0.0,,,0.0,0.0,,,,,,,
COC(=O)c1c(C)[nH]c(C)c1-c1ccc(C)cc1,CID691293,,,,,,,,,0.0,0.0,0.0,,,,,,
COC(=O)c1c(C)[nH]c(C)c1-c1ccccc1Cl,CID691831,,0.0,0.0,0.0,,,,,,,,,0.0,0.0,,0.0,0.0
CCOC(=O)c1c(C)[nH]c(C)c1-c1ccccc1OC,CID668608,,0.0,0.0,,,,0.0,0.0,,,0.0,,,,,,0.0
COC(=O)c1c(C)[nH]c(C)c1-c1ccccc1,CID684657,,,,0.0,,,,,0.0,,0.0,,0.0,,,0.0,
COc1ccc(-c2c(C(C)=O)c(C)n(C)c2C)cc1,CID1201626,,,,,,,,,,,,,,0.0,,,
NC(=O)c1ccsc1NC(=O)C1CC1,CID3321377,,,0.0,,0.0,,,,,,,,0.0,,,,
CCOC(=O)c1c(NC(=O)C2CC2)sc(C)c1CC,CID869011,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1sc(NC(=O)C2CC2)cc1C,CID5310206,,0.0,,,,,,,,,,,,,,,
CCOC(=O)c1cc(CC)sc1NC(=O)C1CC1,CID658822,,,,,0.0,,0.0,,,,,,,,,,
CCc1c(C)sc(NC(=O)C2CC2)c1C(=O)OC(C)C,CID844214,,,,,,,,,,,,,,0.0,,,
N#Cc1cn(CCCOc2ccccc2)c2ccccc12,CID1814064,,,,,,,,,,,,,,,0.0,,
COc1ccccc1OCCCn1cc(C#N)c2ccccc21,CID2197600,,,,,0.0,,,,,,,0.0,,,,,
CCOC(=O)N/N=C/c1cn(CCCOc2ccc(C)cc2)c2ccccc12,CID1918116,,,,,,,,,,,,,,,0.0,,
O=Cc1cn(CCCOc2ccccc2)c2ccccc12,CID2264373,,,,,,,,,,,,,,0.0,,,
COc1ccccc1OCCCn1c(C)c(C#N)c2ccccc21,CID651077,0.0,,,,,,,0.0,0.0,,,,,0.0,,,
CCOC(=O)c1sc(NC(=O)CSc2nnnn2-c2ccccc2)c(C(=O)OCC)c1C,CID2132989,,0.0,0.0,,0.0,,0.0,,,,0.0,,,,,0.0,0.0
COC(=O)c1ccsc1NC(=O)CSc1nnnn1-c1ccccc1SC,CID2215727,,,,,0.0,,0.0,,0.0,,,0.0,,,,,
CCOC(=O)c1sc(NC(=O)CSc2nnnn2-c2ccc(C)cc2)c(C(=O)OCC)c1C,CID2615672,,0.0,,,0.0,,0.0,,,,0.0,,,,,0.0,0.0
CCOC(=O)c1c(NC(=O)CSc2nnnn2-c2ccc(OC)cc2)sc(C)c1C,CID2238453,,,,,,,,,0.0,,0.0,0.0,,,,,
Cc1ccc(-n2nnnc2SCC(=O)Nc2sc(C)c(C)c2C#N)cc1C,CID3195169,,,,,,,,,,,,0.0,,,,,
COc1ccc(-c2nnc(-c3cccs3)o2)cc1OC,CID1219396,0.0,,,,,,0.0,0.0,,,,,,0.0,,,
CCOc1ccc(-c2nnc(-c3cccs3)o2)cc1,CID865996,,,,,,0.0,,,,,,0.0,,,,,
CN(C)c1ccc(-c2nnc(-c3cccs3)o2)cc1,CID865623,,,,,,,,,,,,,,0.0,,,
COc1cc(-c2nnc(-c3cccs3)o2)cc(OC)c1OC,CID652531,0.0,,,,,,,,,,,,0.0,0.0,,,
CCOc1ccc(-c2nnc(-c3cccs3)o2)cc1OCC,CID649326,,,0.0,0.0,,,0.0,0.0,,,,,,,,,
CSc1nnc2c(n1)OC(c1ccc(C(=O)O)cc1)N(C(C)=O)c1ccccc1-2,CID5307239,,0.0,0.0,,,,0.0,0.0,,,,,,,,,
CCSc1nnc2c(n1)OC(c1ccc(C(=O)O)cc1)N(C(C)=O)c1ccccc1-2,CID5307850,,,,,,,,,,,0.0,,,,,,
CCC(=O)N1c2ccccc2-c2nnc(SC)nc2OC1c1ccc(OC)c(OC)c1,CID5309192,,,,,,,,,,,,,0.0,,,,
COc1cc(OC)c(C2Oc3nc(SC)nnc3-c3ccccc3N2C(C)=O)cc1OC,CID5307939,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(C2Oc3nc(SC)nnc3-c3ccccc3N2C(C)=O)cc1OC,CID5308871,,,,,,,,0.0,,,,,,,,,0.0
Nc1cc(C(=O)OCC(=O)NCC2CCCO2)ccc1Cl,CID2999002,,0.0,,0.0,,,,,,0.0,,,0.0,,,0.0,
CN(C)c1ccc(C(=O)OCC(=O)NCC2CCCO2)cc1,CID3279717,,,,,,,,,,,,0.0,,,,,
CN(C)c1cccc(C(=O)OCC(=O)NCC2CCCO2)c1,CID2999801,,,,,,,,,,,,,0.0,,,,0.0
O=C(COC(=O)c1ccccc1)NCC1CCCO1,CID2998343,,,0.0,,,,,0.0,,,,,0.0,,,0.0,0.0
CCN(CC)c1ccc(C(=O)OCC(=O)NCC2CCCO2)cc1,CID5054449,,,,,,,,,,,,0.0,,,,,
Cc1ccc(OCC(=O)N2CCN(C(=O)Cc3ccccc3)CC2)cc1,CID1359190,0.0,,0.0,,,,0.0,,,,,,0.0,,,,
Cc1cccc(OCC(=O)N2CCN(C(=O)Cc3ccccc3)CC2)c1,CID1072099,0.0,,,,,,0.0,0.0,,,,,0.0,,0.0,,
O=C(COc1ccc(Cl)cc1)N1CCN(C(=O)Cc2ccccc2)CC1,CID1072066,,0.0,0.0,0.0,,,,,,,,,0.0,,,0.0,0.0
COc1ccc(OCC(=O)N2CCN(C(=O)Cc3ccccc3)CC2)cc1,CID1530469,,,,,,,,,,,,,0.0,0.0,,,
O=C(COc1ccccc1)N1CCN(C(=O)Cc2ccccc2)CC1,CID695003,,,0.0,,,0.0,,0.0,,,,0.0,0.0,,,,
Cc1nn(C)c(Oc2cccc(Cl)c2)c1C#N,CID3850056,,,,,,,,,,,,,,0.0,,,
Cc1nn(C)c(Oc2ccccc2)c1[N+](=O)[O-],CID1214828,,,,,,,,,,,,,,,0.0,,
Cc1nn(C)c(Oc2ccc(Cl)cc2)c1C(=O)O,CID2766855,,,,,,,,,,,,,,0.0,,,
Cc1nn(C)c(Oc2cccc(Cl)c2)c1C(=O)O,CID2768675,,,,,,,,,,,,,,0.0,,,
CC(=O)OCc1c(C(F)(F)F)nn(C)c1Oc1ccccc1,CID1478765,,,,,,,,,,,,0.0,,,,,
COc1ccc(N2CC(C(=O)Nc3ccc4c(c3)OCO4)CC2=O)cc1,CID651016,,,,0.0,,,,,0.0,,,,0.0,0.0,0.0,,
Cc1cccc(N2CC(C(=O)Nc3ccc4c(c3)OCO4)CC2=O)c1C,CID2932562,,,,,,,,,0.0,,,,,,,,0.0
CC(C)Oc1ccc(N2CC(C(=O)Nc3ccc4c(c3)OCO4)CC2=O)cc1,CID2943164,,,0.0,0.0,,,0.0,,0.0,0.0,,0.0,,,,,
Cc1ccc(N2CC(C(=O)Nc3ccc4c(c3)OCO4)CC2=O)cc1,CID2998334,,,,,,,,,0.0,,0.0,,,,,,
CCCOc1ccc(N2CC(C(=O)Nc3ccc4c(c3)OCO4)CC2=O)cc1,CID2933795,,,,0.0,,,,,0.0,0.0,0.0,,0.0,,,,
CCC1SC2=NC(C)=C(C(=O)OCCOC)C(/C=C/c3ccccc3OC)N2C1=O,CID6180946,,,,,,,,,,,0.0,,,,,,
COC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1/C=C/c1ccccc1,CID5936418,,,,,,0.0,,,,,,,,,,,
COC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1/C=C/c1ccccc1OC,CID5389430,,,0.0,,,0.0,,0.0,,,,,,,,,
CCOC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1/C=C/c1ccccc1OC,CID5389365,,,,0.0,,,0.0,0.0,,,,,,,,,
CCC1SC2=NC(C)=C(C(=O)OCC(C)C)C(/C=C/c3ccccc3OC)N2C1=O,CID5896840,,,,,,,,,,0.0,,,,,,,
COc1cc(-c2nc3oc4ccccc4c(=O)c3c(=O)n2Cc2ccco2)cc(OC)c1OC,CID666364,,,,,,0.0,,,0.0,,,,0.0,,,,
COc1ccc2c(=O)c3c(=O)n(Cc4ccco4)c(-c4ccc(C)cc4)nc3oc2c1,CID667165,,,,,0.0,,0.0,0.0,0.0,0.0,,0.0,0.0,0.0,,,
COc1ccc2c(=O)c3c(=O)n(Cc4ccco4)c(-c4cc(OC)c(OC)c(OC)c4)nc3oc2c1,CID667376,,,,,,,,0.0,0.0,,,,0.0,,,,
COc1ccc(-c2nc3oc4cc(OC)ccc4c(=O)c3c(=O)n2Cc2ccco2)cc1,CID667264,,0.0,0.0,,,,,,0.0,,,,,,0.0,0.0,
COc1ccc2c(=O)c3c(=O)n(Cc4ccco4)c(-c4ccccc4)nc3oc2c1,CID666855,0.0,,,,0.0,,0.0,,,,,,,0.0,,,
CC(=O)c1ccc(NC(=O)N2CCc3ccccc3C2)cc1,CID1485486,,,,,,,,,,,,,,0.0,,,
CC(=O)c1cccc(NC(=O)N2CCc3ccccc3C2)c1,CID971509,,,,,0.0,,0.0,,,0.0,,,0.0,,,0.0,0.0
Cc1ccc(NC(=O)N2CCc3ccccc3C2)cc1,CID1839030,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccccc1)N1CCc2ccccc2C1,CID808385,,,,,,,,,,0.0,,,,,,,
COc1ccc(NC(=O)N2Cc3ccccc3CC2C(=O)NC(C)(C)C)cc1,CID3747502,,,,,,,,,,,,,,,0.0,,
S=C(NCCSCc1ccc(Cl)cc1Cl)Nc1ccccc1,CID2287720,,,,,,,,,,,,,,0.0,,,
S=C(NCCSCc1ccc(Cl)cc1)Nc1ccccc1,CID2055404,,,,,,,,,,,,,,0.0,,,
CCCCCOc1ccc(CSCCNC(=S)Nc2ccccc2)cc1,CID5127947,,,,,,,,,,,,,,,0.0,,
S=C(NCCSCc1ccccc1Cl)Nc1ccccc1,CID2260787,,,,,,,,,,,,,,0.0,,,
Cc1cccc(CSCCNC(=S)Nc2ccccc2)c1,CID2289387,,,,,,,,,,,,,,,0.0,,
COc1ccc2[nH]c(C)c(CCN(Cc3cccs3)C(=S)Nc3cccc(F)c3)c2c1,CID2158155,,,,,,,,,,0.0,0.0,,,,,,
COc1ccccc1NC(=S)N(CCc1c(C)[nH]c2ccccc12)Cc1cccs1,CID2157788,,,,,,,,,,0.0,,,,,,,
COc1cccc(NC(=S)N(CCc2c(C)[nH]c3ccccc23)Cc2cccs2)c1,CID2157789,,,,,,,,,,,,,,0.0,,,
COc1ccc2[nH]c(C)c(CCN(Cc3cccs3)C(=S)Nc3ccccc3)c2c1,CID2158147,,,,,,,,,,0.0,,,,,,,
COc1ccc2[nH]c(C)c(CCN(Cc3cccs3)C(=S)Nc3ccccc3OC)c2c1,CID2158150,,,,,,,,,,0.0,0.0,,,,,,
CC(C)n1c(SCCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,CID3111693,0.0,,,,,,0.0,,,,,,0.0,,0.0,,0.0
C=CCn1c(SCCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,CID2989653,0.0,,,,,,0.0,,0.0,,0.0,,,0.0,,,
COCCn1c(SCCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,CID652751,,,,0.0,,0.0,0.0,,0.0,,0.0,,,,,0.0,
CCOCCn1c(SCCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,CID646336,,,,,,,0.0,0.0,0.0,,,,,,,0.0,
C/C=C/Cn1c(SCCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,CID5310346,,,0.0,,,,,,,,,,,,,,
O=C(NCc1ccc2c(c1)OCO2)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1,CID5308801,,,,,,,,,,,,,,,,0.0,
COc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)o1,CID5307755,,0.0,,0.0,,,,,,,,,,,,0.0,
CCc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)o1,CID5308924,,,,,,,,,,0.0,0.0,,,,,0.0,
Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCc3ccc4c(c3)OCO4)o2)cc1,CID3240649,,,,,,,,0.0,,0.0,,,,,,0.0,
O=C(NCc1ccc2c(c1)OCO2)c1ccc(CS(=O)(=O)c2cccc(C(F)(F)F)c2)o1,CID3237074,,,,,,,,0.0,,,,,,,,,0.0
Cc1ccc(-c2nnc(SCC(=O)N3CCCC3)o2)cc1C,CID866868,0.0,0.0,,,0.0,0.0,0.0,,,,,,,0.0,,,
Cc1ccc(-c2nnc(SCC(=O)N3CCCC3)o2)cc1,CID654962,0.0,0.0,,0.0,0.0,,0.0,,,,,,0.0,0.0,,,0.0
COc1cc(-c2nnc(SCC(=O)N3CCCC3)o2)cc(OC)c1OC,CID2155808,,,,,0.0,,,,,,,,,0.0,,0.0,
COc1cc(OC)cc(-c2nnc(SCC(=O)N3CCCC3)o2)c1,CID645416,0.0,0.0,,0.0,,,,,,,,,,0.0,,,0.0
COc1ccc(-c2nnc(SCC(=O)N3CCCC3)o2)cc1OC,CID645803,0.0,0.0,,,,,,,,,,,,,,,
Cc1ccc(N2CC(C(=O)NCc3ccc4c(c3)OCO4)CC2=O)cc1C,CID2933107,,,0.0,0.0,,,0.0,,,0.0,0.0,,0.0,,,,
O=C(NCc1ccc2c(c1)OCO2)C1CC(=O)N(c2ccc(Br)cc2)C1,CID2890119,,,,,,,,,,,,,,,0.0,,
O=C(NCc1ccc2c(c1)OCO2)C1CC(=O)N(c2ccc(F)cc2)C1,CID5014184,,,,,,,,,0.0,,,,,,,,
CCc1ccc(N2CC(C(=O)NCc3ccc4c(c3)OCO4)CC2=O)cc1,CID659079,0.0,,0.0,0.0,,,,,0.0,,,0.0,,,,,0.0
O=C(NCc1ccc2c(c1)OCO2)C1CC(=O)N(c2ccc(O)cc2)C1,CID2966410,,,,0.0,0.0,,,,0.0,,,,,,,,
COCc1nnc(SCC(=O)NC(C)c2ccccc2)n1-c1ccccc1,CID2961797,0.0,0.0,0.0,0.0,,,0.0,0.0,,,,,0.0,,,,0.0
Cc1nnc(SCC(=O)NCc2ccccc2)n1-c1ccccc1,CID803201,,,,,,,,,,,0.0,,,,,,
COc1ccccc1-n1c(C)nnc1SCC(=O)NCc1ccccc1,CID3170106,,,,,,,,,0.0,,,,,,,,
Cc1nnc(SCC(=O)N(Cc2ccccc2)C(C)C)n1-c1ccccc1,CID2528652,,,,,,,,,,,0.0,,,,,,
COCc1nnc(SCC(=O)NCc2ccccc2)n1-c1ccccc1,CID1313776,0.0,,0.0,,0.0,,0.0,0.0,,0.0,0.0,,,,,0.0,0.0
CC(NC(=O)Nc1nnc(C(F)(F)F)s1)N1C(=O)C2C3C=CC(C3)C2C1=O,CID3242501,0.0,,,,,,0.0,,,,,,,,,,
CCc1nnc(NC(=O)NCN2C(=O)C3C4C=CC(C4)C3C2=O)s1,CID3245243,,,,0.0,,,,,,,,,,,,,
O=C(NCN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1nncs1,CID3243786,,,,,,,0.0,,,,,,,,,,
Cc1nnc(NC(=O)NCN2C(=O)C3C4C=CC(C4)C3C2=O)s1,CID3245863,,,,,,,0.0,,,,,0.0,,,,,
Cc1nnc(NC(=O)NC(C)N2C(=O)C3C4C=CC(C4)C3C2=O)s1,CID3243134,,,,,,,,,,,,0.0,,,,,
OC(CN1CCN(c2ccccc2)CC1)c1c[nH]c2ccccc12,CID659239,,,,,,0.0,,,,,0.0,0.0,,,,,0.0
COc1ccc(N2CCN(CC(O)c3c[nH]c4ccc(OC)cc34)CC2C)cc1,CID659989,,,0.0,,,,0.0,,,,,,,,,,0.0
OC(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1c[nH]c2ccccc12,CID659418,,,,,,,,,,,,,,,,,0.0
Cc1[nH]c2ccccc2c1C(O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1,CID659336,0.0,,,,,,0.0,,,,,,,,,,
COc1ccc2[nH]cc(C(O)CN3CCN(c4ccccc4)CC3)c2c1,CID659415,,,,,,,,,0.0,,0.0,,,,,0.0,0.0
O=C(COc1ccc(F)c(Cl)c1)c1ccc[nH]1,CID2093241,,,0.0,,,,,,,,,,,,,,0.0
CC(=O)c1c(C)[nH]c(C(=O)COc2cc(C)ccc2C(C)C)c1C,CID2405889,,,,,,0.0,,,,,,,,,,,
CC(=O)c1c(C)[nH]c(C(=O)COc2cc(C)cc(C)c2)c1C,CID2077576,,,,,,0.0,,,,,0.0,,,,0.0,,
CC(=O)c1c(C)[nH]c(C(=O)COc2ccc(C#N)cc2)c1C,CID2122644,,,,,,,,,,0.0,0.0,,,,,,
COc1ccccc1OCC(=O)c1[nH]c(C)c(C(C)=O)c1C,CID2997842,,,,0.0,,,0.0,0.0,,,,,,,,0.0,0.0
COc1ccc(Cl)cc1NC(=O)C(=O)NCc1ccncc1,CID2217964,,,,,,,,,,,,,,,0.0,,
COc1ccccc1NC(=O)C(=O)NCc1ccncc1,CID2257253,,,,,,,,,,,,,,,0.0,,
CCOc1ccccc1NC(=O)C(=O)NCc1ccncc1,CID2273856,,,,,,0.0,,,,,,,,,,,
Cc1ccc(NC(=O)C(=O)NCc2ccncc2)cc1,CID3117747,,,,,,,,,,,,,,,0.0,,
COc1ccc(C)cc1NC(=O)C(=O)NCc1ccncc1,CID2218197,,,,,,0.0,,,,,,0.0,,,0.0,,
COc1ccc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)cc1,CID852890,,,,,,,,,,,,,,,0.0,,
CCc1ccc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)cc1,CID852874,,,,,,0.0,,,,,,,,,,,
O=C(Nc1cc2c(cc1Cl)OCCCO2)c1ccccc1,CID7315607,,,,,,,,,,,,0.0,,,,,
COc1cccc(C(=O)Nc2cc3c(cc2Br)OCCCO3)c1,CID986614,,,,,,,,,,,,,,,0.0,,
COc1cccc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)c1,CID852889,,,,,,,,,,,,,,0.0,,,
CC(C)C(=O)c1cc2c(cc1NC(=O)c1cccs1)OCCO2,CID1243118,,,,,,,,,,,,,,0.0,,,
CCCC(=O)c1cc2c(cc1NC(=O)c1cccs1)OCCO2,CID712967,,,,,,0.0,,,,,,,,0.0,,,
O=C(Nc1cc2c(cc1Br)OCCO2)c1cccs1,CID852871,,,,,,,,,,,,,,0.0,,,
CCC(O)c1cc2c(cc1NC(=O)c1cccs1)OCCO2,CID2969119,,,0.0,,0.0,,0.0,,,0.0,,,,,,,
CCC(=O)c1cc2c(cc1NC(=O)c1cccs1)OCCO2,CID1331552,,,,,0.0,0.0,0.0,0.0,,,,,,,,,0.0
COc1ccc(C(=O)Cn2c(N3CCOCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1,CID660298,,,,,,,,,,,,,0.0,,,,
CC(C(=O)c1ccccc1)n1c(N2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C,CID665601,,0.0,,0.0,,0.0,,0.0,,,,,,,,,
COc1cccc(C(=O)Cn2c(N3CCOCC3)nc3c2c(=O)n(C)c(=O)n3C)c1,CID659462,,,,,,,,,,,,,0.0,,,,
Cc1ccc(C(=O)Cn2c(N3CCOCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1,CID2998113,0.0,,0.0,,,,,0.0,,,,,,,,,
Cn1c(=O)c2c(nc(N3CCOCC3)n2CC(=O)c2ccccc2)n(C)c1=O,CID658575,,0.0,0.0,,,,,,,,,,,,,,0.0
Cc1ccccc1Cn1c(CN2CCN(C(=O)c3ccco3)CC2)nc2c1c(=O)n(C)c(=O)n2C,CID4890354,0.0,,,,,,,,,,,,,0.0,,,
Cn1c(=O)c2c(nc(CN3CCN(C(=O)c4ccco4)CC3)n2Cc2ccccc2)n(C)c1=O,CID666199,,,,,,,0.0,,,0.0,,,,0.0,,,
Cn1c(=O)c2c(nc(CN3CCN(C(=O)c4ccco4)CC3)n2Cc2cccc(Cl)c2)n(C)c1=O,CID666650,,,0.0,,,,,,,,,,,,,,
Cc1ccc(Cn2c(CN3CCN(C(=O)c4ccco4)CC3)nc3c2c(=O)n(C)c(=O)n3C)cc1,CID667411,0.0,,0.0,,,,,,,,0.0,,,,,,
Cn1c(=O)c2c(nc(CN3CCN(C(=O)c4ccco4)CC3)n2Cc2ccccc2F)n(C)c1=O,CID4897146,,,,,,,0.0,,,,,,,,,0.0,
CCC1S/C(=C(\C#N)C(N)=O)N(c2ccc(F)cc2)C1=O,CID665552,,,,,,,,,,,,,,,,,0.0
CCOC(=O)/C(C#N)=C1/SC(CC)C(=O)N1c1ccc(C)cc1,CID665433,,,,0.0,,,0.0,0.0,,,,0.0,0.0,,,,0.0
COc1ccc(N2C(=O)CS/C2=C\[N+](=O)[O-])cc1,CID5524005,,,,,,0.0,,,,,,,,,,,
CC1S/C(=C(\C#N)C(N)=O)N(c2ccc(F)cc2)C1=O,CID665865,,0.0,,,,,,0.0,,0.0,0.0,,,,,,
CCOC(=O)/C(C#N)=C1/SC(CCO)C(=O)N1c1ccccc1,CID661665,,,0.0,0.0,,,,,0.0,,,,,,,,
CC(C)(C)OC(=O)N1CCC(c2c(C(=O)O)cnn2-c2ccc(Cl)cc2)CC1,CID3238899,0.0,,,,,,,,,,,,,,,0.0,
CC(C)(C)OC(=O)N1CCC(c2c(C(=O)O)cnn2-c2ccccc2)CC1,CID3237867,,,,,,,0.0,,0.0,,,,0.0,,,,
CCOC(=O)c1cnn(-c2ccc(Cl)cc2)c1C1CCN(C(=O)OC(C)(C)C)CC1,CID9550383,,,,,,,,,,,0.0,,,,,,
CC(C)(C)OC(=O)N1CCC(c2c(C(=O)O)cnn2-c2ccccc2Cl)CC1,CID3239470,0.0,,0.0,,,0.0,,,,,,,,,,0.0,
Cc1ccc(-n2ncc(C(=O)O)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1,CID3245523,,,,,,0.0,,0.0,,,,,,,,,
CCC(C(=O)N1CCc2ccccc21)c1ccccc1,CID2890695,,,,,,0.0,,,,,,,,,,,
COc1ccccc1CC(=O)N1CCc2ccccc21,CID783654,,,,,,0.0,,,,,,,,,,,
COc1ccc(CC(=O)N2CCc3ccccc32)cc1,CID669075,,,,,,,,,0.0,0.0,0.0,,,,,,
O=C(Cc1ccccc1)N1CCc2ccccc21,CID740883,,,,,,,,,0.0,0.0,0.0,,,,0.0,,
COc1cc(CC(=O)N2CCc3ccccc32)cc(OC)c1OC,CID2125710,,,,,,,0.0,,,,0.0,,,,,0.0,0.0
COc1ccc(N(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1,CID3239722,,,,0.0,,,,,,,0.0,,,,,0.0,
COc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c(OC)c1,CID3243018,,,,,,,,,0.0,,,,,,,,
Cc1cccc(N(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1,CID3240485,0.0,0.0,0.0,0.0,,,,,,,,,,,,,
COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1,CID3240230,,,,,,,,,0.0,,,,,,,0.0,
COC(=O)c1cc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc(C(=O)OC)c1,CID3241035,,,,,0.0,,,0.0,,,,,,,,,
Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1C,CID1142790,,,,,0.0,,,,0.0,,0.0,,,,,,
CC(C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccccc1)S(C)(=O)=O,CID648056,,,,,0.0,,,,,,0.0,,,,,,
Cc1ccc(N(C(C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1C,CID2981897,,,,,0.0,,,,,,,,0.0,,,,
Cc1ccc(N(C(C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1,CID2968760,,,,,0.0,,,,,,0.0,,0.0,,,,
CC(C)c1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1,CID1137854,,,,,,,,,,,0.0,,,,,,
CC(C)OCCCNC(=O)CN1C(=O)CC(C)(C)S(=O)(=O)c2ccccc21,CID5308107,,,,0.0,,,,0.0,,,,,,,,,
CCOC(=O)CNC(=O)CN1C(=O)CCS(=O)(=O)c2ccccc21,CID3235956,,,,,,,,0.0,,,,,,,,,
COCCNC(=O)CN1C(=O)CC(C)(C)S(=O)(=O)c2ccccc21,CID5308982,,,,,,,,0.0,,,,,,,,,
CC1(C)CC(=O)N(CC(=O)O)c2ccccc2S1(=O)=O,CID5307718,,,0.0,,,,,0.0,,,,0.0,0.0,,,,
CC1CC(=O)Nc2ccccc2S1(=O)=O,CID3243614,,0.0,0.0,,,,,,,,,,0.0,,,,
Cc1ccc(C(=O)CSC2=C(C#N)C(c3ccco3)C3=C(CC(C)(C)CC3=O)N2)cc1,CID2951764,,,,,0.0,,,0.0,,0.0,,,0.0,,,,
N#CC1=C(SCC(=O)c2ccc(Cl)cc2)NC2=C(C(=O)CCC2)C1c1ccco1,CID661452,0.0,,0.0,,0.0,,0.0,,,0.0,,,,,,,
N#CC1=C(SCC(=O)c2ccccc2)NC2=C(C(=O)CCC2)C1c1ccco1,CID661645,0.0,,,,,,,,,0.0,,,,,,,
N#CC1=C(SCC(=O)c2ccc(Br)cc2)NC2=C(C(=O)CCC2)C1c1ccco1,CID661494,0.0,,,,,,0.0,,,,,,,,,,
Cc1ccc(C(=O)CSC2=C(C#N)C(c3ccco3)C3=C(CCCC3=O)N2)cc1,CID661658,0.0,,,,,,,,,0.0,,,,,,,
Cc1ccc(C)c(Cn2cnc3c(cnn3C(C)(C)C)c2=O)c1,CID3235584,,,0.0,,,,,,,,0.0,0.0,,,,,
Cc1ccccc1Cn1cnc2c(cnn2C(C)(C)C)c1=O,CID3240102,,,0.0,0.0,,0.0,,,,,,0.0,0.0,,,,
Cc1ccc(Cn2cnc3c(cnn3C(C)(C)C)c2=O)cc1,CID16193577,,,,,,,,,,,,,,,0.0,,
CC(C)(C)n1ncc2c(=O)n(Cc3ccc(Cl)cc3Cl)cnc21,CID3237754,0.0,,,,,,,,,,,,0.0,,,,
CC(C)(C)n1ncc2c(=O)n(Cc3c(F)cccc3Cl)cnc21,CID3236508,0.0,0.0,0.0,,,,0.0,,,,,,0.0,,,,
COc1cccc(C2C3=C(CCCC3=O)Nc3nc4ccccc4n32)c1OC,CID3235588,,,,,0.0,,,,,,,,,,,,
COc1ccc(C2C3=C(CCCC3=O)Nc3nc4ccccc4n32)cc1OC,CID2956090,,,,,0.0,,0.0,,,,0.0,0.0,,,,0.0,0.0
COc1ccc(OC)c(C2C3=C(CCCC3=O)Nc3nc4ccccc4n32)c1,CID3240589,0.0,0.0,0.0,,0.0,,,0.0,,,,,0.0,,,,0.0
COc1ccc(C2C3=C(CCCC3=O)Nc3nc4ccccc4n32)c(OC)c1OC,CID3239145,,,0.0,,0.0,,0.0,0.0,,,,,,,,,0.0
COc1cc(OC)c(C2C3=C(CCCC3=O)Nc3nc4ccccc4n32)cc1OC,CID3245477,,,0.0,0.0,0.0,,,,,,,,,,,,0.0
COc1ccc2c(c1)[nH]c1c(=O)n(Cc3ccccn3)cnc12,CID938408,,,,,,,,,0.0,,,,,0.0,0.0,,
O=c1c2[nH]c3ccc(Cl)cc3c2ncn1Cc1ccccn1,CID659073,0.0,0.0,,,,,,,,,,,,,0.0,0.0,
Cc1ccc2c(c1)[nH]c1c(=O)n(Cc3ccccn3)cnc12,CID665227,,0.0,,0.0,,,,0.0,,,,0.0,0.0,,0.0,,
Cc1ccc2[nH]c3c(=O)n(Cc4ccccn4)cnc3c2c1,CID917184,,,,,,,,,,,,,,,0.0,,
O=c1c2[nH]c3ccccc3c2ncn1Cc1ccccn1,CID658463,,0.0,0.0,,,,,0.0,,,,,,,,,
COc1ccccc1-n1c(SCC(=O)Nc2ccc3c(c2)OCO3)nc2c(c1=O)SCC2,CID2052841,,,,,0.0,,0.0,,,0.0,0.0,,0.0,,,,0.0
O=C(CSc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2)Nc1ccc2c(c1)OCO2,CID2052852,,0.0,,,,,0.0,,,0.0,,,,,,,
CC1Cc2nc(SCC(=O)Nc3ccc4c(c3)OCO4)n(-c3ccc(F)cc3)c(=O)c2S1,CID4559027,,,,,0.0,,,,,,,,,,,,
COc1ccc(-n2c(SCC(=O)Nc3ccc4c(c3)OCO4)nc3c(c2=O)SCC3)cc1,CID4277982,,,,,0.0,0.0,0.0,,,,,,0.0,,,,
CCOc1ccc(-n2c(SCC(=O)Nc3ccc4c(c3)OCO4)nc3c(c2=O)SCC3)cc1,CID2058790,,,0.0,,,,,,,,0.0,,0.0,,,,
Cc1onc(-c2ccccc2Cl)c1C(=O)N(Cc1ccccc1)C(C)C,CID1367771,,,,,,0.0,,,,,,,,,,,
COc1ccc(CNC(=O)c2c(-c3cc(Cl)c(OC)c(Cl)c3)noc2C)cc1,CID3540828,,,,,,0.0,,,,0.0,,,,,,,
Cc1onc(-c2ccccc2)c1C(=O)NC(CC(=O)O)c1ccc(OC(C)C)cc1,CID3245669,,,,,0.0,,,,,,,,,,,,
Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccc(S(N)(=O)=O)cc1,CID1239232,0.0,,,,0.0,,,,0.0,,,0.0,0.0,,,,0.0
Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccccc1,CID2055744,,,,,,,,,,,,,,0.0,,,
Cn1c(=O)cc(OCC(=O)Nc2ccccn2)c2ccccc21,CID3243068,,0.0,,0.0,0.0,,,0.0,0.0,,,,,,,,0.0
CCn1c(=O)cc(OCC(=O)Nc2cccc(C)n2)c2ccccc21,CID9550070,,,,,,,,,,,,,,,0.0,,
CCn1c(=O)cc(OCC(=O)Nc2cc(C)ccn2)c2ccccc21,CID3245208,,0.0,,,0.0,,,,,,,,,,,,
CCn1c(=O)cc(OCC(=O)Nc2ccc(Cl)cn2)c2ccccc21,CID3241645,0.0,0.0,,0.0,,,0.0,,,0.0,,,,,,0.0,0.0
CCn1c(=O)cc(OCC(=O)Nc2ccc(C)cn2)c2ccccc21,CID3245896,,,,0.0,0.0,,,,,,,,,,,,
CCOc1ccc(CCNC(=O)C2CCN(c3nn4c(=O)cc(C)nc4s3)CC2)cc1OCC,CID3236667,0.0,,,,,,,,,,,,,,,0.0,
Cc1cc(=O)n2nc(N3CCC(C(=O)NCCc4ccccc4)CC3)sc2n1,CID3239512,0.0,,0.0,,,,,0.0,,,0.0,,,,,,
CCOc1ccc(CCNC(=O)C2CCN(c3nn4c(=O)cc(C)nc4s3)CC2)cc1,CID3237286,0.0,,,,,,,,,,,,,,,0.0,0.0
COc1ccc(CCNC(=O)C2CCN(c3nn4c(=O)cc(C)nc4s3)CC2)cc1OC,CID3240941,,,,,,,,,,,0.0,,,,,0.0,
Cc1ccc(CCNC(=O)C2CCN(c3nn4c(=O)cc(C)nc4s3)CC2)cc1,CID3237234,0.0,,,,,,,,,,0.0,,,,,0.0,
COc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCc2cccnc2)o1,CID5307210,,,,,,,,,,,,,,,,0.0,
O=C(NCc1cccnc1)c1ccc(CS(=O)(=O)c2ccc(Cl)cc2)o1,CID3237404,0.0,,,,0.0,0.0,,,,,,,,,,,
COc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCc3cccnc3)o2)cc1,CID5308550,,,,,,,,0.0,,,,,,,,,
O=C(NCc1cccnc1)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1,CID5309673,0.0,,,,,,,,,,,,,,,,
Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCc2cccnc2)o1,CID3244296,,,,,,,,,,,,0.0,,,,,
Cc1cccc(Cc2c(C)nc3nc(SCC(=O)NCc4ccco4)nn3c2C)c1,CID3237538,,,0.0,,,,0.0,,,,0.0,,,,,0.0,
Cc1nc2nc(SCC(=O)NCc3ccco3)nn2c(C)c1Cc1ccccc1,CID3241666,,,0.0,,0.0,,,,,,0.0,,,,,0.0,
Cc1ccccc1Cc1c(C)nc2nc(SCC(=O)NCc3ccco3)nn2c1C,CID3238067,,,,,,0.0,,,,,,,0.0,,,,
Cc1ccc(Cc2c(C)nc3nc(SCC(=O)NCc4ccco4)nn3c2C)cc1,CID3239624,,0.0,0.0,,,,,,,,,,,,,0.0,0.0
Cc1nc2nc(SCC(=O)NCc3ccco3)nn2c(C)c1Cc1c(F)cccc1Cl,CID3236098,,0.0,,,0.0,,,,,,,,,,,,0.0
C=CCn1c(=O)[nH]c2cc(C(=O)N3CCN(c4cc(C)ccc4C)CC3)ccc2c1=O,CID3237534,,,,,,,,,,0.0,,,,,,,0.0
COCCn1c(=O)[nH]c2cc(C(=O)N3CCN(c4ccccc4OC)CC3)ccc2c1=O,CID3243217,,,0.0,,,0.0,,,0.0,,,,,,,,
C=CCn1c(=O)[nH]c2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc2c1=O,CID3242368,,,,,,,,,,,,,,,,0.0,0.0
CCn1c(=O)[nH]c2cc(C(=O)N3CCN(c4ccccc4)CC3)ccc2c1=O,CID1314731,0.0,0.0,,0.0,,,0.0,,,,,,,,,,
C=CCn1c(=O)[nH]c2cc(C(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)ccc2c1=O,CID3239352,,,,,,,,,,,,0.0,0.0,,,,
Cc1ccc(S(=O)(=O)c2nc(C)oc2N2CCOCC2)cc1,CID2829869,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)c2nc(C(C)(C)C)oc2N2CCOCC2)cc1,CID1082588,,,,,,,,,,,0.0,,0.0,,,0.0,
CCCCc1nc(S(=O)(=O)c2ccc(Cl)cc2)c(N2CCOCC2)o1,CID2186569,,,,,,,,,,0.0,,0.0,,,,,
CC(C)(C)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(N2CCOCC2)o1,CID1177360,,,,,,,,,,0.0,,0.0,,,,,
CC(C)Cc1nc(S(=O)(=O)c2ccc(Cl)cc2)c(N2CCOCC2)o1,CID654847,0.0,,0.0,0.0,0.0,,,,,0.0,,,,,,,0.0
Cc1cccc(Cn2c(=O)n(CCCC(=O)NCc3ccco3)c(=O)c3ccccc32)c1,CID3244492,0.0,,,,0.0,,0.0,0.0,,,,,0.0,,0.0,,
Cc1ccccc1Cn1c(=O)n(CCCC(=O)NCc2ccco2)c(=O)c2ccccc21,CID3237967,0.0,,0.0,,0.0,,,,0.0,,,,,,,,
Cc1ccc(C)c(Cn2c(=O)n(CCCC(=O)NCc3ccco3)c(=O)c3ccccc32)c1,CID3243824,0.0,,,,0.0,,,0.0,,,,,,,,,
Cc1cc(C)c(Cn2c(=O)n(CCCC(=O)NCc3ccco3)c(=O)c3ccccc32)c(C)c1,CID3239790,0.0,,0.0,,,,,0.0,0.0,,,0.0,,,,,0.0
O=C(CCCn1c(=O)c2ccccc2n(Cc2ccccc2)c1=O)NCc1ccco1,CID3237291,0.0,,0.0,,0.0,0.0,0.0,,0.0,0.0,,0.0,,,,,
O=C(N/N=C/c1ccccn1)c1ccccc1O,CID498250,,,,,,,,,,,,,,0.0,,,
COc1cc(C(=O)N/N=C/c2ccccn2)cc(OC)c1OC,CID773836,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1C(=O)N/N=C/c1ccccn1,CID902933,,,,,,,,,,,,,,,0.0,,
O=C(N/N=C/c1ccccn1)c1ccc(Br)cc1,CID775204,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)N/N=C/c2ccccn2)cc1OC,CID739614,,,,,,,,,,,,,,0.0,0.0,,
C=CCn1c(NC(=O)c2ccccc2Cl)c(C#N)c2nc3ccccc3nc21,CID658849,0.0,0.0,0.0,,,,0.0,,,,,,,,,,
CCCCn1c(NC(=O)c2ccccc2Cl)c(C#N)c2nc3ccccc3nc21,CID658797,0.0,,,,,,0.0,,,,,,,,,,
CCC(C)n1c(NC(=O)c2ccccc2)c(C#N)c2nc3ccccc3nc21,CID4101144,,,,,,0.0,,,,,,,,,,,
C=CCn1c(NC(=O)c2ccccc2)c(C#N)c2nc3ccccc3nc21,CID2309631,,0.0,0.0,0.0,,,,,,,0.0,,,,,,0.0
CCCCn1c(NC(=O)c2ccc(F)cc2)c(C#N)c2nc3ccccc3nc21,CID2323827,,0.0,0.0,,,,,,,,,,,,,,0.0
CCCC(=O)NC1=CC(=O)/C(=C2/Nc3cc(C)c(C)cc3O2)C=C1,CID5868164,,0.0,0.0,,,,0.0,0.0,,,,,,,,,
CCc1ccc2c(c1)N/C(=C1/C=C(N)C=CC1=O)O2,CID5408882,,,,0.0,,,,,,,,0.0,,,,,
CCc1ccc2c(c1)N/C(=C1/C=C(N)C=C(C)C1=O)O2,CID5425515,,0.0,0.0,,,,0.0,,,,,,,,,,
CC(C)c1ccc2c(c1)N/C(=C1/C=C(N)C=CC1=O)O2,CID5411262,,0.0,,,,,,,,,0.0,,0.0,,,,
CCCC(=O)NC1=C/C(=C2/Nc3cc(C)ccc3O2)C(=O)C=C1,CID5346279,,,,,,0.0,,,,,,,,,,,
COCCCNC(=O)c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1,CID5144290,,,,,,,,,,,,,0.0,,,,0.0
CCOc1cc2[nH]c(=O)n(Cc3ccc(C(=O)NCCOC)cc3)c(=O)c2cc1OCC,CID4108660,,,,,,,,0.0,,,,,,,,,
COc1cc2c(=O)n(Cc3ccccc3)c(=O)n(CC(=O)C(C)(C)C)c2cc1OC,CID3238179,,,,,,,,,,,,,0.0,,,,
CCOc1cc2[nH]c(=O)n(Cc3cccc(OC)c3)c(=O)c2cc1OCC,CID3236258,,0.0,,,,0.0,0.0,,0.0,,,,,,,,0.0
O=c1[nH]c2ccccc2c(=O)n1Cc1ccccc1,CID710807,,,,,,,,,,0.0,0.0,0.0,,,,,
Cc1cc(NC(=O)CSc2ccc3nnc(-c4ccccc4)n3n2)no1,CID3240823,0.0,0.0,0.0,0.0,0.0,,,,,,0.0,,,,,0.0,
Cc1cc(NC(=O)CSc2ccc3nnc(-c4ccc(Cl)cc4)n3n2)no1,CID3236478,0.0,,,,0.0,,,,0.0,,0.0,,0.0,,,,
Cc1cc(NC(=O)CSc2ccc3nnc(-c4cccc(F)c4)n3n2)no1,CID3245448,0.0,,,,0.0,,,,,,,0.0,0.0,,,,
Cc1cc(NC(=O)CSc2ccc3nnc(-c4ccc(F)cc4)n3n2)no1,CID3242682,0.0,0.0,,,0.0,,,,,,0.0,,0.0,,,,
Cc1ccc(-c2nnc3ccc(SCC(=O)Nc4cc(C)on4)nn23)cc1,CID3243330,0.0,0.0,0.0,,0.0,0.0,,,,,,,,,,0.0,
CC(C)Cn1c(Cc2ccccc2)n[nH]c1=S,CID951889,,,,,,,,,,,,,,,0.0,,
CCCCOc1ccc(Cc2n[nH]c(=S)n2N)cc1,CID5197642,,,,,,,,,,,,,,,0.0,,
Nn1c(Cc2ccc(Br)cc2)n[nH]c1=S,CID2478581,,,,,,,,,,,,,,0.0,,,
CCCCn1c(Cc2ccccc2)n[nH]c1=S,CID2208854,,0.0,,,,,,,,,0.0,,,,0.0,,
CCCn1c(Cc2ccccc2)n[nH]c1=S,CID951870,,,,,,,,,,,,,,,0.0,,
CC(=O)c1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1,CID756636,,,,,,0.0,,,0.0,,,,,,,,
O=C(Nc1ccc([N+](=O)[O-])cc1)C1(c2ccccc2)CCOCC1,CID2901255,,,,,,,,,,,,,,0.0,,,
COc1ccc([N+](=O)[O-])cc1NC(=O)C1(c2ccc(OC)c(OC)c2)CCOCC1,CID2197273,,,,,,,,,,,,,,,0.0,,
COc1ccc(C2(C(=O)Nc3ccc(C(=O)O)cc3)CCOCC2)cc1,CID1307706,,,,,,,,,,0.0,,,0.0,,,,
O=C(O)c1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1,CID899245,,,,,,,,0.0,,,0.0,,,,,,
O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)c1ccccc1F,CID1088830,0.0,,,,,,,0.0,,,,0.0,,,,,0.0
O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)c1ccc(F)cc1,CID650768,0.0,,,,,,,0.0,,,,,,,,,0.0
O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)c1cccc(F)c1,CID649966,,,0.0,,,,,,0.0,,,,,0.0,,,0.0
N#Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)c(F)c1,CID2981974,,,,,,,,,,0.0,,,,,,,
O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)c1ccccc1,CID1088823,,,,,,,,,,,,,,,0.0,,
CCOc1cccc(-c2nn3c(-c4ccccn4)nnc3s2)c1,CID663031,,0.0,,,0.0,,0.0,,,,,,,,,,
Clc1ccccc1-c1nn2c(-c3ccccn3)nnc2s1,CID663002,,,,0.0,0.0,0.0,,,,,,,,,,,0.0
COc1cccc(-c2nn3c(-c4ccccn4)nnc3s2)c1,CID662681,0.0,0.0,,,0.0,,0.0,,,,,,,,,,
COc1ccc(-c2nn3c(-c4ccccn4)nnc3s2)cc1OC,CID662931,0.0,,0.0,,0.0,,0.0,,,,,,,,,,0.0
COc1cc(-c2nn3c(-c4ccccn4)nnc3s2)cc(OC)c1OC,CID663187,0.0,,,,0.0,,0.0,0.0,,,0.0,,,0.0,,,
CCC(c1nnnn1Cc1ccco1)N(Cc1ccccc1OC)Cc1cc2cc(C)ccc2[nH]c1=O,CID654377,0.0,,,,,,,,,0.0,,0.0,0.0,,,,
COc1ccccc1CN(Cc1cc2c(C)ccc(C)c2[nH]c1=O)Cc1nnnn1Cc1ccco1,CID654956,,,,,,,,,,0.0,0.0,,,,,,
COc1ccccc1CN(Cc1cc2cc(C)ccc2[nH]c1=O)Cc1nnnn1Cc1ccco1,CID647823,,,,,,,,,,,,0.0,,,,,0.0
CCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)Cc3nnnn3Cc3ccco3)cc2c1,CID646225,,,0.0,,,,,,,,,0.0,,,,,
CCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3OC)Cc3nnnn3Cc3ccco3)cc2c1,CID651078,,,,,,,,,,0.0,,0.0,,,0.0,,
COc1ccccc1OCCSc1ncnc2nc[nH]c12,CID655881,,0.0,,,,,0.0,0.0,0.0,,0.0,,,,,0.0,0.0
Cc1cccc(OCCSc2ncnc3nc[nH]c23)c1,CID1732676,,,,,,,,,,0.0,,,,,,,
Cc1ccc(OCCSc2ncnc3nc[nH]c23)cc1,CID1721253,,,,,,,,,,0.0,,,,,,,
c1ccc(OCCSc2ncnc3nc[nH]c23)cc1,CID1615867,,1.0,0.0,0.0,,,,0.0,,,,0.0,,,,0.0,
COc1ccc(OCCSc2ncnc3nc[nH]c23)cc1,CID2253990,,,0.0,0.0,,,0.0,0.0,0.0,0.0,,,0.0,0.0,,,
CC1(C)Cc2c(sc3c2c(=N)n(Cc2ccco2)c(=O)n3CC(=O)Nc2ccccc2)CO1,CID665698,,,0.0,0.0,0.0,,,0.0,,,0.0,,0.0,,,,0.0
Cc1ccc(NC(=O)Cn2c(=O)n(Cc3ccco3)c(=N)c3c4c(sc32)COC(C)(C)C4)cc1,CID665322,,,0.0,,0.0,,,,,,,,,,,,
CC1(C)Cc2c(sc3c2c(=N)n(Cc2ccco2)c(=O)n3CC(=O)Nc2cccc(Cl)c2)CO1,CID665121,,,,,0.0,,,,0.0,,,,,,,,0.0
CC1(C)Cc2c(sc3c2c(=N)n(Cc2ccco2)c(=O)n3CC(=O)Nc2ccc(Cl)cc2)CO1,CID665325,0.0,0.0,0.0,0.0,0.0,,,,0.0,,0.0,,0.0,,,,0.0
Cc1cccc(NC(=O)Cn2c(=O)n(Cc3ccco3)c(=N)c3c4c(sc32)COC(C)(C)C4)c1,CID665615,,,0.0,,0.0,,,,,,,,,,,,
Cc1cccc(OCC(=O)N/N=C/c2ccccc2C(=O)O)c1,CID2402417,,,,,,,,,,,,,,,0.0,,
COc1ccc(/C=N/NC(=O)COc2ccccc2)c(C(=O)O)c1OC,CID1913021,,,,,,,,,,,,,,,0.0,,
COc1ccc(OCC(=O)N/N=C(\C)c2ccc(OC)cc2)cc1,CID3472610,,,,,,,,,,,,,,0.0,,,
COCc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1OC,CID1008973,,,,,,,,,,,,,,0.0,,,
CN(C)c1ccc(/C=N/NC(=O)COc2ccccc2)cc1,CID311711,,,,,,,,,,,,,,,0.0,,
C=CCn1c(SCc2ccccc2)nnc1-c1cccnc1,CID972729,,,,0.0,,,0.0,,,0.0,0.0,,,,,0.0,
C=CCn1c(SCc2ccc(OC)cc2)nnc1-c1cccnc1,CID662969,0.0,0.0,,,0.0,0.0,0.0,,,,0.0,,0.0,0.0,,0.0,
Cc1ccc(C)c(CSc2nnc(-c3cccnc3)n2N)c1,CID663043,,0.0,,,,,,0.0,,,,,0.0,,,,
CCn1c(SCc2cccc(F)c2)nnc1-c1cccnc1,CID933308,,,,,,,,,,,,,,,0.0,,
Cc1ccccc1CSc1nnc(-c2cccnc2)n1N,CID663009,,0.0,,0.0,,,,0.0,,,0.0,,0.0,,0.0,0.0,
CC(C)N1CC=C(c2c[nH]c3ccccc23)CC1,CID3239482,0.0,,,,,,,,,,,,,,,,
Cc1[nH]c2ccccc2c1C1=CCNCC1,CID3245407,0.0,,,,,,,,,,,,,,,,
C1=C(c2c[nH]c3ccccc23)CCNC1,CID2761023,,,,1.0,,,0.0,,,,,,,,,,
CCN1CC=C(c2c[nH]c3ccccc23)CC1,CID51703,0.0,,,0.0,,0.0,0.0,0.0,,,,0.0,,,,0.0,
CN1CC=C(c2c[nH]c3ccccc23)CC1,CID152215,0.0,,0.0,,,,0.0,,,0.0,,,,,,,
COc1ccc(-n2c(C)nc3cc(C(=O)NCc4ccco4)ccc32)cc1,CID3241262,0.0,0.0,,,,,,0.0,0.0,0.0,,0.0,,,,,
CCOc1ccccc1-n1cnc2cc(C(=O)NCc3ccco3)ccc21,CID3244934,0.0,0.0,,,,,,0.0,,,,,,,,,0.0
CCOc1ccc(-n2c(C)nc3cc(C(=O)NCc4ccco4)ccc32)cc1,CID3236955,0.0,,,0.0,0.0,0.0,,,0.0,,,,,,,,0.0
COc1ccccc1-n1cnc2cc(C(=O)NCc3ccco3)ccc21,CID3245536,0.0,0.0,,,,,,0.0,,,,,,,,0.0,0.0
COc1cc(-n2c(C)nc3cc(C(=O)NCc4ccco4)ccc32)cc(OC)c1OC,CID3235703,0.0,0.0,0.0,,0.0,0.0,,,0.0,,,0.0,,,,,
Cc1ccc(N2C(=O)C3ON(c4ccccc4)C(c4ccncc4)C3C2=O)c(C)c1,CID662659,,,,0.0,,,,,,,,,,,,,
Cc1ccc(N2C(=O)C3ON(c4ccccc4)C(c4ccncc4)C3C2=O)cc1,CID662813,,,,,,,,,0.0,,,,,,,,
O=C1C2ON(c3ccccc3)C(c3ccncc3)C2C(=O)N1c1ccc(Br)cc1,CID662734,,,,,,,,,0.0,,,,,,,,0.0
Cc1ccccc1N1C(=O)C2ON(c3ccccc3)C(c3ccncc3)C2C1=O,CID663026,,,,,,0.0,,,,,,,,,,,
O=C1C2ON(c3ccccc3)C(c3ccncc3)C2C(=O)N1c1ccccc1,CID662799,,,,,,0.0,,,,,,,,,,,
CCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc2c(c1)OCO2,CID659669,,,0.0,,,,,,,,,,,,,,
Cc1nc2c(c(=O)n1CCC(C)C)c1nc3ccccc3nc1n2Cc1ccc2c(c1)OCO2,CID664205,0.0,,,,,,,,,0.0,,,,,,,
CCC(C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc2c(c1)OCO2,CID664650,0.0,,0.0,,,,,,,,,0.0,0.0,,,,
CC(C)CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc2c(c1)OCO2,CID664080,0.0,,,0.0,,,,,,,,0.0,,,,,
CC(C)Cn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc2c(c1)OCO2,CID661980,,,0.0,,,,,0.0,,,,,,,,,
N#Cc1nc(COc2ccc(F)cc2)oc1NCCCn1ccnc1,CID651474,,0.0,0.0,,,,,,,,,,0.0,,,,
N#Cc1nc(COc2ccc(Br)cc2)oc1NCCCn1ccnc1,CID661363,0.0,,,,,,0.0,,0.0,,0.0,0.0,,,,0.0,0.0
N#Cc1nc(COc2ccccc2)oc1NCCCn1ccnc1,CID661521,0.0,,0.0,,,,0.0,,,,,,0.0,,,,
Cc1ccc(OCc2nc(C#N)c(NCCCn3ccnc3)o2)cc1,CID652150,,,0.0,,,,,0.0,,,,,,,,0.0,
N#Cc1nc(COc2ccccc2F)oc1NCCCn1ccnc1,CID661315,,0.0,,,,,,,,,,0.0,,,,,
O=C(Nc1ccccc1)c1ccc(S(=O)(=O)NCC2CCCO2)cc1,CID645786,,,,0.0,0.0,,,0.0,0.0,,0.0,,0.0,0.0,,,
O=C(Nc1ccc(F)cc1)c1ccc(S(=O)(=O)NCC2CCCO2)cc1,CID655091,,0.0,,,,,0.0,0.0,,0.0,,,,,,,
Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NCC3CCCO3)cc2)cc1,CID647839,,,0.0,0.0,0.0,,0.0,0.0,,,,,,,,,
O=C(Nc1ccccc1F)c1ccc(S(=O)(=O)NCC2CCCO2)cc1,CID650721,,,,,,0.0,,0.0,,0.0,,,,,,,0.0
O=C(Nc1cccc(F)c1)c1ccc(S(=O)(=O)NCC2CCCO2)cc1,CID647095,,,,,,,,0.0,,0.0,,,0.0,,,,0.0
Cc1ccc(-n2c(N)c(-c3nc4ccccc4n3C)sc2=S)cc1,CID1300622,,,0.0,0.0,1.0,,,,0.0,0.0,,,,,,,
COc1ccc(-n2c(N)c(-c3nc4ccccc4n3C)sc2=S)cc1,CID1285301,,,,,0.0,,,,,,,,,,,,
COc1cccc(-n2c(N)c(-c3nc4ccccc4[nH]3)sc2=S)c1,CID4451657,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(-n2c(N)c(-c3nc4ccccc4[nH]3)sc2=S)cc1,CID1306043,,,,,,,,,,0.0,,,,,,,
Cn1c(-c2sc(=S)n(-c3ccccc3)c2N)nc2ccccc21,CID1544371,,,,,,,,,0.0,0.0,,,,,,,
CCn1c(CC(=O)Nc2cccc(OC)c2)nnc1SCC(=O)N1CCN(c2ccccc2)CC1,CID2959255,0.0,,0.0,,,,,,,,,,,,0.0,0.0,
CCn1c(CC(=O)Nc2ccccc2F)nnc1SCC(=O)N1CCN(c2ccccc2)CC1,CID2976869,,,,,,,,,,,,,,,,0.0,
Cn1c(CC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1SCC(=O)N1CCN(c2ccccc2)CC1,CID2954960,,,,,,,,,,,0.0,,,,,,
CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1SCC(=O)N1CCN(c2ccccc2)CC1,CID2954466,0.0,,,,,,,,,,,,,,,,
Cc1ccccc1NC(=O)Cc1nnc(SCC(=O)N2CCN(c3ccccc3)CC2)n1C,CID2978211,,,,,,,0.0,,,,0.0,0.0,,,,0.0,0.0
CCOC(=O)c1ccccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C,CID1116265,,,,,,,,,,,,,0.0,,,,
Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(Cl)cc2Cl)n(C)c1=O,CID1116232,0.0,,,,,,,,,,,,,,,,
COc1ccccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C,CID775382,,0.0,,0.0,,,,,,,,,,,,,
COC(=O)c1ccccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C,CID659848,,0.0,,,,,,0.0,,,,,,,,,
CCOC(=O)c1cccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1,CID1147722,,,,,,,,,,0.0,,,,,,,
Cc1ccc(-n2c(C)c3c(C)nnc(C)c3c2C)cc1C,CID804001,,,,,,,,,0.0,,,,,,0.0,,
Cc1cc(C)cc(-n2c(C)c3c(C)nnc(C)c3c2C)c1,CID946260,,,,,,,,,,,,,,,0.0,,
Cc1ccc(-n2c(C)c3c(C)nnc(C)c3c2C)cc1,CID921199,,,,,,0.0,0.0,,,,,,,,,0.0,
Cc1nnc(C)c2c(C)n(-c3ccccc3N)c(C)c12,CID787583,,,,,,,,,,,,,,0.0,,,
Cc1nnc(C)c2c(C)n(-c3ccc(Br)cc3)c(C)c12,CID804479,0.0,,,,,,,,0.0,,,,,,,0.0,0.0
CCCCNc1c(C(=O)OCC)c(C)nc2c1cnn2CC,CID5522,,,,,,,,0.0,,,,,,,,,
CCOC(=O)c1cnc2c(cnn2C)c1Cl,CID3803060,,,,,,,,,,,,,,0.0,,,
CCOC(=O)CCc1c(C)nc2c(c(C)nn2C(C)(C)C)c1C,CID5308513,,,,0.0,,,,,,,,,0.0,,,,
CCOC(=O)NCCc1c(C)nc2c(c(C)nn2C(C)(C)C)c1C,CID3238688,,,,0.0,,0.0,,0.0,,,,,0.0,,,,
Cc1cc(C)c2c(NC(=O)CCl)nn(C)c2n1,CID1485477,,,,,,,,,,,,,,,0.0,,
COCCN1CC(=O)N(c2ccc(C)cc2C)C(c2ccc(N(C)C)cc2)C1=O,CID3213141,,,,,,,,,0.0,0.0,0.0,0.0,,,,,
Cc1ccccc1N1C(=O)CN(C(C)(C)C)C(=O)C1c1ccc(N(C)C)cc1,CID3213139,,,,,,0.0,,,,,,0.0,,,,,
COc1ccc(C2C(=O)N(C(C)(C)C)CC(=O)N2c2ccccc2C)cc1,CID649669,0.0,,,,0.0,,,0.0,0.0,,,,,0.0,,,
COCCN1CC(=O)N(c2cccc(C)c2C)C(c2ccc(Cl)cc2)C1=O,CID652796,,,0.0,0.0,,,0.0,,,,,,0.0,0.0,0.0,0.0,0.0
COCCN1CC(=O)N(c2cc(C)ccc2C)C(c2ccc(N(C)C)cc2)C1=O,CID3213142,,,,,,,,,,0.0,0.0,,,,,,
CCCC(C)n1[nH]c(=O)cc1N,CID661153,,,,0.0,,,,,,,,0.0,,,,,
CCc1c(C)[nH]n(CCC#N)c1=O,CID2268933,,,,0.0,,0.0,,,,,,,0.0,,,,
CCC(CC)n1[nH]c(=O)cc1N,CID661096,,,,0.0,,,,,,,,,,,,,
CCCCC(C)n1[nH]c(=O)cc1N,CID4558908,,,,,,,,,,,,0.0,,,,,
CCC(C)n1[nH]c(=O)cc1N,CID649343,,,,0.0,,,0.0,0.0,,,,0.0,,,0.0,,
COc1ccc(C2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCN(C)C)cc1OC,CID661159,,,0.0,,0.0,,,0.0,,,,,,,,,0.0
COc1cccc(C2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCN(C)C)c1OC,CID661119,,0.0,0.0,,0.0,0.0,,,,,,,,,,,0.0
COc1cc(C2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCN(C)C)cc(OC)c1OC,CID661210,,0.0,,,0.0,,,0.0,,0.0,0.0,,,,,,0.0
COc1ccc(C2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCN(C)C)cc1,CID661166,,,0.0,,0.0,,,,,,,,,,,,
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)C2c2ccccc2)s1,CID661240,,,0.0,,0.0,,,,,,,0.0,0.0,,,,
Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccco2)cc1C,CID655740,0.0,,,,,0.0,0.0,,,,,,0.0,,,,0.0
Cc1ccccc1NC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccco1,CID1284303,0.0,0.0,0.0,,,0.0,,0.0,,,0.0,0.0,,,,,0.0
CC(C)c1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccco2)cc1,CID1067709,0.0,,0.0,,,0.0,,0.0,,0.0,0.0,0.0,,,,,0.0
Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccco2)cc1,CID653788,0.0,,0.0,,,0.0,,,,,0.0,0.0,,,,,0.0
O=C(Nc1c(C(=O)Nc2ccccc2)cnn1-c1ccccc1)c1ccco1,CID1067713,0.0,,0.0,,,0.0,,,,,0.0,0.0,,,,,
Clc1cccc(-c2nn3c(-c4ccncc4)nnc3s2)c1,CID935979,,,,,0.0,0.0,,,,,0.0,,,,,,0.0
COc1cc(OC)c(-c2nn3c(-c4ccncc4)nnc3s2)cc1OC,CID662874,0.0,0.0,,,0.0,,,0.0,,,0.0,,,,,0.0,
CN(C)c1ccc(-c2nn3c(-c4ccncc4)nnc3s2)cc1,CID663316,,0.0,,,0.0,,,,,,0.0,,,,,,0.0
Clc1ccccc1-c1nn2c(-c3ccncc3)nnc2s1,CID937213,,0.0,0.0,,,,,,,,,,,,,,
COc1ccc(-c2nn3c(-c4ccncc4)nnc3s2)cc1OC,CID662905,0.0,0.0,,,0.0,,0.0,,,,,,0.0,,,0.0,
COc1ccc2c(c1)C(=O)N(c1ccccc1OC)C(=O)C2,CID833493,,,,0.0,,,0.0,,0.0,0.0,,,,0.0,,,
COc1ccc2c(c1)C(=O)N(c1ccc(C)cc1)C(=O)C2,CID736901,,,,,,,,,0.0,,0.0,,,,0.0,,
COc1ccc2c(c1)C(=O)N(c1ccccc1C)C(=O)C2(C)C,CID2303950,,,,,,,,,,,,,,0.0,,,
COc1ccc2c(c1)C(=O)N(c1ccccc1)C(=O)C2,CID736902,,,,,,0.0,,,,0.0,,,,0.0,,,
COc1ccc2c(c1)C(=O)N(c1ccccc1OC)C(=O)C2(C)C,CID830275,0.0,0.0,,,,0.0,,0.0,0.0,0.0,0.0,,,,,,
CCOC(=O)c1c(C)[nH]c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1C,CID2496672,,,,,,,,,,,,,,,0.0,,
CC(=O)c1c(C)[nH]c(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1C,CID2430108,,,,,,0.0,,,,,,0.0,,,,,
COc1cccc(N2CCN(C(=O)c3[nH]c(C)c(C(C)=O)c3C)CC2)c1,CID3241918,0.0,0.0,0.0,0.0,,,,,,,,,,,,,
CC(=O)c1c(C)[nH]c(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c1C,CID7415285,,,,,,0.0,,,,0.0,,,,,,,
Cn1cccc1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1,CID2532675,,,,,0.0,,,,,,,,,,,,
COc1ccccc1-c1cc(C(F)(F)F)nc(N2CCN(c3ccccc3)CC2)n1,CID2991881,,,,,0.0,,,,,,,,,,,,0.0
COc1ccccc1N1CCN(c2nc(-c3ccccc3)cc(C(F)(F)F)n2)CC1,CID3243240,,,,,0.0,,,,,,,,,,,,0.0
COc1ccc(-c2cc(C(F)(F)F)nc(N3CCN(c4ccccc4)CC3)n2)cc1OC,CID3237714,,,,,0.0,,,,,,,,,,,,0.0
COc1cccc(-c2cc(C(F)(F)F)nc(N3CCN(c4ccccc4)CC3)n2)c1,CID3244769,,,,,0.0,,,,,,,,,,,,0.0
COc1ccc(-c2cc(C#N)nc(N3CCN(c4ccccc4)CC3)n2)cc1,CID1390825,,,,,,0.0,,,,,,,,,0.0,,
Cc1ccc(Nc2cc(C)c3ccccc3n2)c(C)c1,CID750732,,,,,,0.0,,,,,,,,,,,
COc1ccc(Nc2nc3cc(C)ccc3cc2C#N)c(OC)c1,CID865686,,,,,,,,,,,,,,0.0,,,
COc1ccccc1Nc1nc2ccc(C)cc2cc1C#N,CID3167343,,,,,,0.0,,,,,,0.0,,,0.0,,
COc1ccccc1Nc1nc2c(C)cccc2cc1C#N,CID865262,,,,,,0.0,,,,,,0.0,,,,,
Cc1cc(Nc2ccccc2[N+](=O)[O-])nc2ccccc12,CID2892672,,,,,,,,,,,,,,,0.0,,
O=C(COc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1,CID1074716,,,,,,,,,,0.0,0.0,,,0.0,,,
O=C(COc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1,CID1074719,,,,,,,,,,0.0,,,,,,,
O=C(COc1ccccc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1,CID1074724,,,,,,,,,,0.0,,,,,0.0,,
COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)COc2ccccc2)CC1,CID3244335,0.0,,,0.0,0.0,,,,,,,,,,,,
COc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1,CID1072057,,,,,,,,,,0.0,,,,,,,
Cc1cccc(OCCn2c(NC(=O)c3ccco3)nc3ccccc32)c1,CID1292700,0.0,0.0,0.0,,,,,0.0,0.0,,,0.0,0.0,,,,0.0
O=C(Nc1nc2ccccc2n1CCOc1ccc(Cl)cc1)c1ccco1,CID1492379,0.0,,,0.0,,0.0,0.0,,,,,,0.0,,,0.0,0.0
O=C(Nc1nc2ccccc2n1CCOc1ccccc1)c1ccco1,CID646847,0.0,0.0,0.0,,,,,,0.0,,0.0,,,,,,0.0
Cc1ccc(OCCn2c(NC(=O)c3ccco3)nc3ccccc32)cc1,CID652971,0.0,0.0,0.0,,,,0.0,0.0,,0.0,0.0,0.0,,,,,
COc1ccc(OCCn2c(NC(=O)c3ccco3)nc3ccccc32)cc1,CID1169323,,,0.0,,0.0,0.0,0.0,,,0.0,,,,,,,0.0
Cc1ccc(-c2[nH]n3c(=O)c4c(nc3c2C)CCCC4)cc1,CID656272,0.0,,,,0.0,,,0.0,,,,0.0,,,,0.0,
O=c1c2c(nc3cc(-c4ccc(Br)cc4)[nH]n13)CCCC2,CID819052,,,,,,,,,,,,,,,0.0,,
O=c1c2c(nc3cc(-c4ccc(F)cc4)[nH]n13)CCCC2,CID649708,,,,,,0.0,,0.0,,,,0.0,,,,,
Cc1ccc(-c2cc3nc4c(c(=O)n3[nH]2)CCCC4)cc1,CID819041,,,,,0.0,,,,,,,,,,,0.0,
O=c1c2c(nc3cc(-c4cccc(F)c4)[nH]n13)CCCC2,CID845862,,,,,,0.0,,,,,,,,,,,
CC(NC(=O)C1CCCO1)c1ccccc1,CID2931490,,,,,,,,,,0.0,,,,,,,
Cc1ccc(C(C)NC(=O)C2CCCO2)cc1C,CID2970814,,,,,,,0.0,,,0.0,,,,,,,
COc1ccc(C(C)NC(=O)C2CCCO2)cc1OC,CID2971332,,,,,,,0.0,,,,,,,0.0,,,0.0
O=C(NCc1ccc(Cl)cc1)C1CCCO1,CID2932408,,,,,,,,,,,,,,0.0,,,
O=C(NCc1ccccc1Cl)C1CCCO1,CID2957283,,,,,,,,,,,,,,0.0,,,
COc1ccc2cc(S(=O)(=O)N3CCN(C)CC3)ccc2c1,CID775829,0.0,,,,0.0,,0.0,,,,,,,,,,0.0
CCOc1ccc2cc(S(=O)(=O)N3CCN(C)CC3)ccc2c1,CID870040,,,0.0,0.0,0.0,,0.0,0.0,,,,,,,,,0.0
CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1,CID1094974,,,,,,,,,,0.0,,,,,,,
CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1,CID872090,,,,0.0,0.0,,0.0,0.0,,,,,0.0,,,,0.0
CC(C)CC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1,CID1151515,,,,,,,,,,0.0,,,,0.0,,,
COc1cc(C(=O)OCC(=O)Nc2cc(C)on2)cc(OC)c1OC,CID2477280,,,,,,0.0,,,,,,0.0,,,,,
CCOc1cc(C(=O)OCC(=O)Nc2cc(C)on2)cc(OCC)c1OCC,CID2479537,,,,,,,,,,,,,,,0.0,,
CCCCOc1ccc(C(=O)OCC(=O)Nc2cc(C)on2)cc1,CID2479492,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(C(=O)OCC(=O)Nc2cc(C)on2)cc1OCC,CID2479525,,,,,,,,,,,,,,0.0,0.0,,
COc1cc(C(=O)OCC(=O)Nc2cc(C)on2)c([N+](=O)[O-])cc1OC,CID2488745,,,,,,,,,,,,,,,0.0,,
Cc1c(C(=O)O)sc2nc3n(c(=O)c12)CCCCC3,CID2393539,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1sc2nc3n(c(=O)c2c1C)CCC(C)CC3,CID3239190,,,,,,,0.0,,,,,,,0.0,,0.0,0.0
CCOC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3,CID785253,,,,0.0,,,0.0,,,,,0.0,,,,,0.0
Cc1c(C(=O)O)sc2nc3n(c(=O)c12)CCC(C)CC3,CID3239982,,,,,,,,,0.0,,0.0,0.0,,,,,
Cc1sc2nc3n(c(=O)c2c1C)CCCCC3,CID534287,,,,,,,,,,,,,,,0.0,,
COc1ccccc1NC(=O)C1=C(C)N=C2N=NNN2C1c1ccccc1OC,CID5711794,,,,,,,,,,,,,,0.0,,,
CCOc1ccccc1C1C(C(=O)Nc2ccccc2OC)=C(C)N=C2N=NNN21,CID5711795,,,,,,,,,0.0,,,,,,,,
COc1ccc(C2C(C(=O)Nc3ccccc3OC)=C(C)N=C3N=NNN32)c(OC)c1,CID5711796,,,,,,,0.0,,,,,,,,,,0.0
COc1ccccc1NC(=O)C1=C(C)N=C2N=NNN2C1c1cc(Br)ccc1OC,CID5771455,,,,,,,,,0.0,,,,,,,,
COc1ccccc1NC(=O)C1=C(C)N=C2N=NNN2C1c1cccc(C)c1,CID5308881,,,,,,,0.0,,,,,,,,,,
COc1ccc(C(C)=O)cc1COC(=O)c1cnc(C)cn1,CID2534667,,,,,,,,,,,,0.0,,,,,
O=C(OCc1c(Cl)cccc1Cl)c1cnccn1,CID976247,0.0,,,,,,,,,0.0,,,,,,,0.0
O=C(OCc1ccc(Cl)cc1)c1cnccn1,CID755832,,,,,,,,,,,,,,0.0,,,
CC(C)OC(=O)c1ccc(COC(=O)c2cnccn2)cc1,CID976277,,,,,,,,,,,,,,0.0,,,
O=C(OCc1c(F)cccc1Cl)c1cnccn1,CID977894,,,,0.0,,,0.0,,,,,,,,,0.0,0.0
Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Br)cc2)c1C#N,CID1069285,,,,,,,,,0.0,,,,,,,,
COc1ccc(NC(=O)CSc2[nH]c(=O)cc(C)c2C#N)cc1OC,CID1089931,,,,,0.0,,0.0,,0.0,,,,,,,0.0,
Cc1ccccc1NC(=O)CSc1[nH]c(=O)cc(C)c1C#N,CID572433,,0.0,,0.0,,,,0.0,,0.0,,,,0.0,,,0.0
Cc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2C#N)c1C#N,CID2393775,,,,,,,,,,,,0.0,,0.0,,,
COC(=O)c1ccccc1NC(=O)CSc1[nH]c(=O)cc(C)c1C#N,CID1005736,,,,,,,,,,,,,,0.0,,,
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc(C)nc4ccccc34)CC2)cc1,CID651482,,0.0,0.0,,0.0,,,,,,,,,,,,
O=S(=O)(c1ccccc1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1,CID1241326,,,,,,,,,,,,,,,0.0,,
Cc1cc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c2ccccc2n1,CID1164592,0.0,0.0,0.0,,0.0,0.0,,,,,0.0,,,,,0.0,
Cc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c2ccccc2n1,CID1240150,,,,,0.0,,,,0.0,,0.0,,,,0.0,,
Cc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)c2ccccc2n1,CID1003680,,,,,,,,,,,,,,,0.0,,
COc1ccccc1Oc1coc2cc(OC(=O)N3CCOCC3)ccc2c1=O,CID1302741,,,,,,,0.0,,,,,,,,0.0,,
CCOc1ccccc1Oc1c(C)oc2cc(OC(=O)N3CCOCC3)ccc2c1=O,CID1305064,,,,,,,0.0,,,,,,0.0,,0.0,,
COc1ccc(Oc2coc3cc(OC(=O)N4CCOCC4)ccc3c2=O)cc1,CID2939840,,,0.0,,,,,,,,,,,,,,
COc1cccc(Oc2coc3cc(OC(=O)N4CCOCC4)ccc3c2=O)c1,CID1034260,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(Oc2c(C)oc3cc(OC(=O)N4CCOCC4)ccc3c2=O)cc1,CID1034261,,,0.0,0.0,,,,,,,,,0.0,,,,
COc1ccc(Nc2ncccc2C(=O)Nc2ccccc2)cc1,CID713015,0.0,,,,,,,,,,0.0,0.0,,,,,0.0
COc1cccc(Nc2ncccc2C(=O)Nc2ccccc2)c1,CID714696,,,,,,0.0,,,,,0.0,0.0,,,,,
O=C(Nc1ccccc1)c1cccnc1Nc1ccccc1,CID2219319,,,,,,,0.0,,,0.0,,,,,0.0,,0.0
COc1ccc(NC(=O)c2cccnc2Nc2ccc(OC)cc2)cc1,CID1263285,,,,,,,,,0.0,,,0.0,,,,,
COc1ccc(NC(=O)c2cccnc2Nc2ccccc2)cc1,CID2219320,,,,,,,,,0.0,,0.0,,,,,,
Cc1ccc2c(c1)C1(C(=O)N2C)N2CC3(C)CN1CC(C)(C2)C3=O,CID752241,,,0.0,0.0,,,,0.0,,0.0,,,0.0,,,,
CC(C)C12CN3CC(C(C)C)(CN(C1)C31C(=O)Nc3ccccc31)C2=O,CID1367557,,,,0.0,,,0.0,,,,,,0.0,,,0.0,0.0
CCCC12CN3CC(C)(CN(C1)C31C(=O)Nc3ccc(C)cc31)C2=O,CID907670,,,,,,,,,,,,,,,,,0.0
CCCCC12CN3CC(C)(CN(C1)C31C(=O)N(C)c3ccc(C)cc31)C2=O,CID2215331,,,,,,,,,,,,0.0,,,,,
CCC12CN3CC(CC)(CN(C1)C31C(=O)N(C)c3ccc(C)cc31)C2=O,CID665872,0.0,,,,0.0,,,,,,,,0.0,,,,
COc1ccc(OC)c(N(CC(=O)Nc2cccnc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1,CID989262,,,,0.0,0.0,,,,,,,,0.0,,,,0.0
COc1ccc(OC)c(N(CC(=O)Nc2cccnc2)S(=O)(=O)c2ccc(C)cc2)c1,CID1143318,,,,,,,,,0.0,,,,,,,,
COc1ccc(OC)c(N(CC(=O)Nc2cccnc2)S(=O)(=O)c2ccccc2)c1,CID1148640,,,,,,,,,0.0,,0.0,0.0,,0.0,,,
COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccnc2)c2ccccc2OC)cc1,CID1076359,,,,,,,,,0.0,,,,,,0.0,,
COc1ccccc1N(CC(=O)Nc1cccnc1)S(=O)(=O)c1ccccc1,CID1139748,,,,,,0.0,,,,,,,,,,,
Cc1ccc(CCNC(=O)CN2C(=O)COc3ccccc32)cc1,CID3239238,,,,,0.0,,,0.0,,,,,,,,,
Cc1ccc2c(c1)N(C(C)C(=O)NCCc1ccccc1)C(=O)CO2,CID3239641,,,,,0.0,,,0.0,,,0.0,0.0,,,,,0.0
CCC1Oc2ccc(C)cc2N(CC(=O)NCCc2ccc(OC)c(OC)c2)C1=O,CID3551653,,,0.0,,,,,0.0,,,,,,,,,
CCC1Oc2ccccc2N(CC(=O)NCCc2ccc(OC)c(OC)c2)C1=O,CID3155021,,,,,,,,,,,,0.0,,,,,
CC1Oc2ccccc2N(CC(=O)NCCc2ccccc2)C1=O,CID650231,0.0,,,,0.0,,0.0,,,,,,0.0,,,,
COc1cccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)c1,CID646867,0.0,0.0,,,0.0,,,0.0,,,,,,,,,0.0
COc1cc(OC)cc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)c1,CID652952,0.0,,,,,0.0,,,,,,,0.0,,,0.0,
COc1ccc(C(C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(OC)c(OC)c2)cc1,CID3196927,,,,,,,,,,,,,,,0.0,,
COc1ccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)cc1OC,CID652535,0.0,,,,,,0.0,,,,0.0,,,,,,
COc1ccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)cc1,CID647415,0.0,,0.0,0.0,0.0,,,,,,,0.0,,,,,0.0
Cc1nc(S(=O)(=O)c2cccc(Cl)c2)nc2c1CCC2,CID1484761,,,,,,,,,,,,,,0.0,,,
Cc1nc(S(=O)(=O)c2ccc(Cl)cc2)nc2c1CCC2,CID1484760,,,,,,0.0,,,,,,,,0.0,,,
Cc1nc(S(=O)(=O)c2ccc(Cl)cc2Cl)nc2c1CCC2,CID1481079,,,,,,,,,,,,,,0.0,,,
Cc1nc(S(=O)(=O)c2ccc(Br)cc2)nc2c1CCC2,CID1481076,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)c2nc(C)c3c(n2)CCC3)cc1,CID1481078,,,,,,,,,,,,0.0,,,,,
O=C(NCC(=O)N(c1ccccc1F)C(C(=O)NCC1CCCO1)c1ccccc1)c1ccco1,CID646861,,,0.0,,,,,,,,0.0,,,,,0.0,
O=C(NCC(=O)N(c1ccccc1)C(C(=O)NCC1CCCO1)c1ccccc1)c1ccco1,CID645668,,0.0,0.0,,,,0.0,,,,,,,0.0,,,
O=C(NCC(=O)N(c1ccc(F)cc1)C(C(=O)NCC1CCCO1)c1ccccc1)c1ccco1,CID651567,,,,,,,,,,,0.0,,,0.0,,,
Cc1ccc(N(C(=O)CNC(=O)c2ccco2)C(C(=O)NCC2CCCO2)c2ccccc2)cc1,CID648688,,,,,,,,,,,,,,,,,0.0
CC(=O)Nc1ccc(N(C(=O)CNC(=O)c2ccco2)C(C(=O)NCC2CCCO2)c2ccccc2)cc1,CID3215485,,,,,,,,,,,,,,,0.0,,
COCc1cc(Sc2c(Cl)cccc2Cl)nc(-c2ccccc2)n1,CID1476689,,,,,,,,,,,,,,0.0,,,
COc1ccc(Sc2nc(-c3ccccc3)ncc2C(=O)O)cc1,CID1474612,,,,,,,,,,,,,,0.0,,,
O=C(O)c1cnc(-c2ccccc2)nc1Sc1ccccc1,CID1474598,,,,,,0.0,,,,,,,,,,,
COCc1cc(Sc2ccc(Cl)cc2)nc(-c2ccccc2)n1,CID1479483,,,,,,0.0,,,,,,,,,,,
O=C(O)c1cnc(-c2ccccc2)nc1Sc1ccccc1Cl,CID1474615,,,,,,,,,,,,,,,0.0,,
CC(C)CNC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)CC1,CID650157,0.0,,0.0,0.0,0.0,,,,,,,,,,,,0.0
COCCNC(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1,CID4639272,,,,,,,,,,,,,,,0.0,,
NC(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1,CID2112939,,,,,0.0,,,,,,,,,,,,
CCCNC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)CC1,CID3227693,,,,,,,,,0.0,,,0.0,,,,,
CC(C)CNC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1,CID648784,,,0.0,,,,,0.0,,,,,,,,,0.0
COc1cccc(C(=O)CSc2nnc(-c3ccco3)n2CC2CCCO2)c1,CID650156,,,0.0,,,,0.0,0.0,,,,,,0.0,0.0,0.0,0.0
O=C(CSc1nnc(-c2ccco2)n1CC1CCCO1)c1ccc(F)cc1,CID655928,0.0,,,,,,,0.0,,,,,,,,,
COc1ccc(C(=O)CSc2nnc(-c3ccco3)n2CC2CCCO2)cc1,CID655304,,,0.0,,,0.0,,,,,,,0.0,0.0,,0.0,0.0
O=C(CSc1nnc(-c2ccco2)n1CC1CCCO1)c1ccccc1,CID652866,,,,0.0,,,,,,0.0,0.0,,,,,,
Cc1ccc(C(=O)CSc2nnc(-c3ccco3)n2CC2CCCO2)cc1,CID647863,,,,,,,0.0,,,,,,0.0,,,,
Cc1ccc(-c2nc3ccccc3c(=O)n2-c2cc(C)ccn2)cc1,CID716780,,,,,,,,,,,,0.0,,,,,
O=c1c2ccccc2nc(-c2ccccc2)n1-c1ccccn1,CID828452,,,,,,,,,,,,,,,0.0,,
Cc1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(Br)cn2)cc1,CID1366713,,,,,,,,,,,,,,,0.0,,
Cc1cccnc1-n1c(-c2ccccc2)nc2ccccc2c1=O,CID730929,,,,,,0.0,,,,,,0.0,,,0.0,,
Cc1ccc(-c2nc3ccccc3c(=O)n2-c2ncccc2C)cc1,CID829437,,,,,,,,,,,,0.0,,,,,
CCCNC(=O)c1ccc(CNc2c(N3CCC(C(=O)OCC)CC3)c(=O)c2=O)cc1,CID3235674,,0.0,0.0,,,0.0,0.0,,,,,,,,,,
CCCCNC(=O)c1ccc(CNc2c(N3CCC(C(=O)OCC)CC3)c(=O)c2=O)cc1,CID9550498,,,,,,,,,,,,,,,0.0,,
CCOC(=O)C1CCN(c2c(NCc3ccc(C(=O)NC(C)CC)cc3)c(=O)c2=O)CC1,CID3236429,,,0.0,,,,,,0.0,,,,,,,,
CCOC(=O)C1CCN(c2c(NCc3ccc(C(=O)NCCC(C)C)cc3)c(=O)c2=O)CC1,CID3240817,,,,,,,,,0.0,,,,0.0,,,,
CCOC(=O)C1CCN(c2c(NCc3ccc(C(=O)NCCOC)cc3)c(=O)c2=O)CC1,CID3240057,,,,,,,,,,,,0.0,,,,,
COCCCn1c(SCC(=O)Nc2nnc(C)s2)nnc1-c1ccoc1C,CID653929,,0.0,,,,0.0,0.0,,,,,,,,,0.0,0.0
Cc1nnc(NC(=O)CSc2nnc(-c3ccoc3C)n2CC(C)C)s1,CID654036,,0.0,,0.0,,0.0,0.0,,0.0,,,,,,,0.0,
CCCn1c(SCC(=O)Nc2nnc(C)s2)nnc1-c1ccoc1C,CID651432,0.0,0.0,,0.0,,,0.0,,,,,0.0,,,,0.0,
CCc1nnc(NC(=O)CSc2nnc(-c3ccoc3C)n2CC(C)C)s1,CID655910,,,0.0,0.0,,,0.0,,0.0,,,,,,,0.0,0.0
CCCCn1c(SCC(=O)Nc2nnc(C)s2)nnc1-c1ccoc1C,CID652275,,0.0,0.0,,,,0.0,,0.0,,0.0,0.0,,,,,0.0
COc1ccc(NC(=O)CN(C)S(=O)(=O)c2cccc3cccnc23)cc1,CID5307127,,,,,,,,0.0,,,,,,,,,
Cc1ccccc1NC(=O)CN(C)S(=O)(=O)c1cccc2cccnc12,CID5309348,,,,,,,,0.0,,,,0.0,,,,,
Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2cccc3cccnc23)c1,CID5307807,,0.0,,,,,,,,,,,,,,0.0,0.0
CN(CC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1cccc2cccnc12,CID5307403,0.0,0.0,0.0,,,0.0,,,,,,,,,,,
Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2cccc3cccnc23)cc1,CID5309280,,,,,,,,0.0,,0.0,,,,,,0.0,
Cc1ccc(CCNC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)cc1,CID5307122,,,,,,,,,,,,,0.0,,,,
O=C(NCCc1ccccc1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1,CID5307129,,,0.0,,,,,0.0,,,,,,,,,
Cc1cccc(CCNC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)c1,CID5307476,,,0.0,,,,,0.0,,,,,0.0,,,,
O=C(NCCc1ccc(Cl)cc1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1,CID5309183,0.0,0.0,0.0,,,,,,,,,,,,,,
COc1ccc(CCNC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)cc1OC,CID5308169,,,,,,,,,,,0.0,0.0,,,,,
COc1cccc(Nc2nc(CC(C)=O)ns2)c1,CID4694173,,,,,,,,,,,0.0,,,,,,
CC(=O)Cc1nsc(Nc2ccc(Cl)cc2)n1,CID724683,,,,,,,,,,,,,,,0.0,,
COc1ccc(Nc2nc(CC(C)=O)ns2)cc1OC,CID647717,0.0,0.0,,0.0,,,0.0,,,0.0,0.0,0.0,0.0,,,,0.0
CC(=O)Cc1nsc(Nc2ccccc2)n1,CID2739696,,,,,,,,,,0.0,0.0,,,,,,
COc1ccc(Nc2nc(CC(C)=O)ns2)cc1,CID756524,,,,,,,,,,0.0,,,,,,,
COc1ccc(-c2ccc(-c3noc(-c4ccco4)n3)c(OC)n2)cc1,CID913777,0.0,0.0,,0.0,,,,0.0,,,,,,,,,
CCOc1nc(-c2ccccc2)ccc1-c1noc(-c2ccco2)n1,CID645766,0.0,,0.0,0.0,,,,,,0.0,0.0,,,0.0,,,
COc1nc(-c2ccccc2)ccc1-c1noc(-c2ccco2)n1,CID913800,0.0,,,,,,,0.0,,,,,,0.0,,,
COc1nc(-c2ccc(Cl)cc2)ccc1-c1noc(-c2ccco2)n1,CID649431,,,,,,,,,,,,,,0.0,,0.0,
COc1nc(-c2ccc(C)cc2)ccc1-c1noc(-c2ccco2)n1,CID646957,0.0,,0.0,0.0,,,0.0,0.0,0.0,,,,,0.0,,,
Cc1ccc(C)c(S(=O)(=O)c2c(N)n(/N=C/c3ccco3)c3nc4ccccc4nc23)c1,CID664104,0.0,,,,0.0,0.0,,0.0,,,,,,,,,
Nc1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n1/N=C/c1ccco1,CID662601,,,0.0,,0.0,0.0,,,,,,,,,,,
Cc1ccc(S(=O)(=O)c2c(N)n(/N=C/c3ccco3)c3nc4ccccc4nc23)cc1,CID663282,0.0,,,0.0,0.0,0.0,0.0,0.0,,,0.0,,,,,,
Cc1cccc(S(=O)(=O)c2c(N)n(/N=C/c3ccco3)c3nc4ccccc4nc23)c1,CID663953,0.0,,0.0,0.0,0.0,,0.0,,,,,,,,,,
Cc1ccc(S(=O)(=O)c2c(N)n(/N=C/c3ccco3)c3nc4ccccc4nc23)cc1C,CID664555,0.0,,0.0,,0.0,,,0.0,,,,,0.0,,,,0.0
CC(C)COC(=O)CCn1[nH]c(=O)c2ccccc2c1=O,CID647169,,,,,,,0.0,0.0,,,,,,0.0,,0.0,
Cn1[nH]c(=O)c2ccccc2c1=O,CID314939,,0.0,,,,,0.0,,,,,,,,,,
CCCCCCOC(=O)CCn1[nH]c(=O)c2ccccc2c1=O,CID660956,,0.0,,0.0,,0.0,,,,,0.0,,,,,,
CCCCOC(=O)CCn1[nH]c(=O)c2ccccc2c1=O,CID652550,,0.0,0.0,,,,,0.0,,0.0,0.0,,,,,0.0,
O=C(CCn1[nH]c(=O)c2ccccc2c1=O)NCCO,CID2295935,,,,,,,,0.0,,,,,,0.0,,,
Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1cc(-c2ccc3c(c2)OCO3)on1,CID3243917,0.0,,,,,,,0.0,,,,,0.0,,,,0.0
Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)c1cc(-c2ccc3c(c2)OCO3)on1,CID3245970,0.0,,,,,,,,,,,0.0,1.0,,,,
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)c1cc(-c2ccc3c(c2)OCO3)on1,CID3242908,0.0,,,,0.0,,,,,,,,,,,0.0,
Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1cc(-c2ccc3c(c2)OCO3)on1,CID3239067,0.0,,0.0,,,,,,,,,0.0,,,0.0,,
Cc1ccc(Cn2nc(C)c(NC(=O)c3cc(-c4ccc5c(c4)OCO5)on3)c2C)cc1,CID3245283,0.0,,,,,0.0,,0.0,,,,,,,,,
CCOC(=O)c1ccccc1NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3,CID5307902,,,0.0,,,,,,,,,,,,,,0.0
O=C(Nc1cccc(Cl)c1)c1ccc2c(=O)n3c(nc2c1)CCCCC3,CID3240692,0.0,0.0,0.0,0.0,,,,,,0.0,,,,,,0.0,0.0
CN(C(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)c1ccccc1,CID2353326,,,0.0,0.0,,,0.0,,,,,0.0,,,,,
O=C(Nc1ccc(F)cc1Cl)c1ccc2c(=O)n3c(nc2c1)CCCCC3,CID3237908,0.0,,0.0,0.0,,0.0,,,,,,0.0,,,,,0.0
O=C(Nc1ccc(F)c(Cl)c1)c1ccc2c(=O)n3c(nc2c1)CCCCC3,CID3240203,0.0,,,,,,,,,,,,0.0,,,,
CC1(c2ccc3noc(-c4cccc(F)c4)c3c2)OCCO1,CID4522027,,,,,,,,,,,,,,,0.0,,
CC1(c2ccc3noc(-c4ccc(Cl)cc4)c3c2)OCCO1,CID658323,,0.0,,,,0.0,,,,,,,0.0,,,0.0,0.0
Cc1ccc(-c2onc3ccc(C4OCCO4)cc23)cc1,CID1483781,,,,,,,,,,,,,,0.0,0.0,,
CC1(c2ccc3noc(-c4ccccc4)c3c2)OCCO1,CID649710,0.0,,,,,,,0.0,0.0,,,,,0.0,,,0.0
CC1(c2ccc3noc(-c4ccc(F)cc4)c3c2)OCCO1,CID2768911,,,,,,0.0,,,,,,,,,,,
Cc1nc2cc(C(=O)N3CCC4(CC3)OCCO4)ccc2n1-c1ccc(Br)cc1,CID3240710,0.0,,,,,,,,0.0,,0.0,,,,,0.0,
Cc1nc2cc(C(=O)N3CCC4(CC3)OCCO4)ccc2n1-c1cccc(F)c1,CID3241847,,,,0.0,,,,0.0,,,,,,,,,
Cc1cccc(-n2c(C)nc3cc(C(=O)N4CCC5(CC4)OCCO5)ccc32)c1,CID3241342,,,0.0,,0.0,0.0,,,,,,,,,,,
COc1ccc(-n2c(C)nc3cc(C(=O)N4CCC5(CC4)OCCO5)ccc32)cc1,CID3240056,,,,,0.0,,,,0.0,,0.0,,,,,,
O=C(c1ccc2c(c1)ncn2-c1ccc(F)cc1F)N1CCC2(CC1)OCCO2,CID3585765,,,,,,,,,,,,,,,0.0,,
Cc1ccc(O)c(NC(=O)c2ccc(-c3ccccc3)cc2)c1,CID1040046,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1ccc(Cl)c(NC(=O)c2ccc(-c3ccccc3)cc2)c1,CID7311935,,,,,,,,,,,,0.0,,,,,
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-c2ccccc2)cc1,CID721931,,,,,,,,,,,,0.0,,,,,
Cc1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1,CID1381562,,,,,,0.0,,,,,,,,,,,
Cc1ccccc1NC(=O)c1ccc(-c2ccccc2)cc1,CID1381561,,,,,,0.0,,,,,,,,,,,
CC1=CC(C)(C)N2C(=O)C3(C(C#N)=C(N)OC4=C3C(=O)CCC4)c3c(C)c(C)cc1c32,CID647139,,,0.0,,,0.0,,0.0,,,,,0.0,,,,
CC1=CC(C)(C)N2C(=O)C3(C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)c3cc(C)cc1c32,CID2968782,,,,,,0.0,,,0.0,,,,,,,,
CC1=CC(C)(C)N2C(=O)C3(C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)c3cccc1c32,CID665930,,,,,,0.0,,,,0.0,,,,,,,
CC1=CC(C)(C)N2C(=O)C3(C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)c3c(C)c(C)cc1c32,CID2981443,,,,,,,,,0.0,,,,,,,,
CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)C12C(=O)N1c3c(ccc(C)c32)C(C)=CC1(C)C,CID666524,,,,,,,,,,0.0,,,,,,,
Cc1ccc(-c2nc3nc4ccccc4nc3n2Cc2ccco2)cc1,CID662053,,0.0,,,,,0.0,0.0,,,,,,,,,
Clc1cccc(-c2nc3nc4ccccc4nc3n2Cc2ccco2)c1,CID661712,0.0,,0.0,,0.0,,,,,,,,,,,,
Clc1ccc(-c2nc3nc4ccccc4nc3n2Cc2ccco2)cc1,CID661870,,,0.0,,0.0,,,,,,,,,,,,0.0
c1ccc(-c2nc3nc4ccccc4nc3n2Cc2ccco2)cc1,CID661942,,0.0,,,,,,,,,,,,,,,
Fc1ccc(-c2nc3nc4ccccc4nc3n2Cc2ccco2)cc1,CID662008,,,,,,0.0,0.0,,,,,,0.0,,,,0.0
O=C(OCc1ccc(F)cc1Cl)c1ccccn1,CID2214206,,,0.0,,,,,,,0.0,,,,0.0,,0.0,0.0
O=C(OCc1c(Cl)cccc1Cl)c1ccccn1,CID943516,,0.0,0.0,,,,,,,,,,,,,,
O=C(OCc1ccc(Cl)c(Cl)c1)c1ccccn1,CID2214216,,,,,,,,,0.0,,,,,,,,
O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccccn1,CID501281,,,,,,,,,,,,,,,0.0,,
COC(=O)c1ccc(COC(=O)c2ccccn2)cc1,CID1088635,,,,,,,,,0.0,,,,,0.0,,,
COc1ccc(C)c(NC(=O)C2CC(=O)NC3=C2C(=O)CCC3)c1,CID2982754,,,,,,,,,,,,,,,0.0,,
COc1cc(NC(=O)C2CC(=O)NC3=C2C(=O)CC(C)(C)C3)c(OC)cc1Cl,CID666819,,,0.0,0.0,,,,,,0.0,,,0.0,,,,
COc1cc(NC(=O)C2CC(=O)NC3=C2C(=O)CCC3)c(OC)cc1Cl,CID2987970,,,,,,,,,,,,0.0,,,,,
COc1ccc(NC(=O)C2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1,CID3160574,,,,,,0.0,,,0.0,,,0.0,,,,,
COc1cc(NC(=O)C2CC(=O)NC3=C2C(=O)CCC3)cc(OC)c1,CID2991091,,,,,,,,,,,0.0,,,,,,
COc1ccc(S(=O)(=O)NC2=NC(=O)/C(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])S2)cc1,CID5765471,,,,,,,,,,0.0,0.0,,,0.0,,,
COc1cc(/C=C2\SC(NS(=O)(=O)c3ccccc3)=NC2=O)c([N+](=O)[O-])cc1OC,CID1912687,,,,,,,,,,,0.0,,,,,,
COc1cc(/C=C2/SC(NS(=O)(=O)c3ccccc3)=NC2=O)c([N+](=O)[O-])cc1OC,CID1912686,,,,,,,,,,0.0,0.0,,,,,,
Cc1ccc(S(=O)(=O)NC2=NC(=O)/C(=C/c3ccccc3)S2)cc1,CID1911572,,,,,,,,,,,,,,0.0,,,
COc1cc(/C=C2\SC(NS(=O)(=O)c3ccc(C)cc3)=NC2=O)c([N+](=O)[O-])cc1OC,CID2248191,,,,,,,,,,,0.0,,,,,,
O=C(COC(=O)/C=C/c1ccccc1Cl)NCc1ccco1,CID2426012,,,,,,,,,,,,,,0.0,,,
COc1cccc(/C=C/C(=O)OCC(=O)NCc2ccco2)c1OC,CID2364451,,,,,,,,,,,,,,,0.0,,
COc1ccc(/C=C/C(=O)OCC(=O)NCc2ccco2)cc1OC,CID2406810,,,,,,,,,,,,,,,0.0,,
COc1ccc(/C=C/C(=O)OCC(=O)NCc2ccco2)c(OC)c1,CID2364145,,,,,,,,,,,,,,,0.0,,
COc1cccc(/C=C/C(=O)OCC(=O)NCc2ccco2)c1,CID2346338,,,,,,,,,,,,,,,0.0,,
Clc1cccc(Nc2c3c(nc4ncnn24)CCC3)c1,CID644941,0.0,,0.0,0.0,,,0.0,,,,,,,,,,
Clc1ccccc1Nc1c2c(nc3ncnn13)CCC2,CID648898,0.0,,,,,,,,,,,0.0,,,,,
Brc1ccc(Nc2c3c(nc4ncnn24)CCC3)cc1,CID648670,,,,,,,,,,,,,,,0.0,,0.0
Cc1ccc(Nc2c3c(nc4ncnn24)CCC3)cc1,CID653280,,,,,,,,0.0,,,,,0.0,0.0,,,
c1ccc(Nc2c3c(nc4ncnn24)CCC3)cc1,CID645556,,,0.0,0.0,,,,0.0,,,,,,,,,
Cc1ccccc1NC(=S)N1CCCC1,CID797405,,,,,,,,,,,,,,,0.0,,
COC(=O)c1cc(OC)c(OC)cc1NC(=S)N1CCCC1,CID1946601,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1ccc(NC(=S)N2CCCC2)cc1,CID972120,,,,,,,,,,,,,,,0.0,,
S=C(Nc1ccc(Br)cc1)N1CCCC1,CID797576,,,,,,,,,,,,,,0.0,,,
S=C(Nc1ccc(Cl)cc1)N1CCCC1,CID886201,,,,,,,,,,,,,,0.0,,,
O=C1C(=C(O)c2ccccc2)C(=O)c2ccccc21,CID341820,,,,,,0.0,,,0.0,,,0.0,0.0,,,,
COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1O,CID2910846,,,,,,,,,,,,,,0.0,,,
O=C1C(=Cc2ccccc2)C(=O)c2ccccc21,CID237822,,,,,,0.0,,,,,,,,,,,
COc1ccc(C=C2C(=O)c3ccccc3C2=O)c(OC)c1,CID784810,,,,,,0.0,,,,,,,,,,,
COc1cc(C=C2C(=O)c3ccccc3C2=O)cc(OC)c1OC,CID827945,,,,,,,,,,,,,,,0.0,,
Cc1cc(-c2ccc(Cl)cc2)oc(=O)c1NC(=O)c1ccccc1,CID1484445,,,,,,0.0,,,,,,,,0.0,,,
CCOC(=O)c1cc(NC(=O)c2ccccc2)c(=O)oc1-c1ccccc1,CID2763609,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C(=O)Nc2c(C)cc(-c3ccc(Cl)cc3)oc2=O)cc1,CID1484457,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1cc(NC(=O)c2ccc(C)cc2)c(=O)oc1-c1ccccc1,CID1483054,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1cc(NC(=O)c2cccc(Cl)c2)c(=O)oc1-c1ccccc1,CID1483053,,,,,,0.0,,,,,,,,,,,
Cn1c(SCc2ccc(Br)cc2)nnc1-c1ccncc1,CID1296639,,,,,,,,,0.0,,0.0,,,,,0.0,0.0
COc1ccc(C(C)=O)cc1CSc1nnc(-c2ccncc2)n1C,CID2423682,,,,,,,,,,,,,,0.0,,,
CCn1c(SCc2ccc(OC)cc2)nnc1-c1ccncc1,CID936091,0.0,0.0,,,0.0,,,,,,0.0,,0.0,0.0,,0.0,
CCOC(=O)c1ccc(CSc2nnc(-c3ccncc3)n2N)cc1,CID1179061,,,0.0,0.0,,,,,,0.0,0.0,,0.0,,,,
Cn1c(SCc2ccccc2)nnc1-c1ccncc1,CID664949,0.0,,0.0,,,,,0.0,,,0.0,,,,,0.0,
CC1CCN(C(c2ccc(N(C)C)cc2)c2nnnn2C(C)(C)C)CC1,CID650290,,0.0,,0.0,,,,,0.0,,0.0,,,,,0.0,
COCCn1nnnc1C(c1ccc(OC)cc1)N1CCC(C)CC1,CID645560,,0.0,,,,,,,,,,,0.0,,,,
CC(C)CCn1nnnc1C(c1ccc(F)cc1)N1CCC(C(N)=O)CC1,CID646900,,0.0,,,,,,,,,,,,,0.0,,
CC(C)CCn1nnnc1C(c1ccccc1F)N1CCC(C(N)=O)CC1,CID655438,,0.0,0.0,,,,,,,,,,,,,,
CCC(C)(C)n1nnnc1C(c1ccccc1F)N1CCC(C(N)=O)CC1,CID646599,,,,0.0,,,,,,,,,0.0,,0.0,0.0,
O=C(Nc1ccccc1Cl)N1CCN(c2ncccn2)CC1,CID974365,0.0,0.0,0.0,,,,0.0,,,0.0,,,0.0,,0.0,,0.0
O=C(Nc1ccccc1)N1CCN(c2ncccn2)CC1,CID736391,,,,,,,,,,,,0.0,,,,,
COc1ccccc1NC(=O)N1CCN(c2ncccn2)CC1,CID736392,,0.0,,0.0,,,,,,,,,,,,,
O=C(Nc1cccc(Cl)c1)N1CCN(c2ncccn2)CC1,CID646916,0.0,,0.0,,,,0.0,,,,,,0.0,,0.0,,0.0
O=C(Nc1ccc(F)cc1F)N1CCN(c2ncccn2)CC1,CID1094863,0.0,0.0,,,,,,,,,,,,,,,
COc1ccccc1OC1=NS(=O)(=O)c2ccccc21,CID652675,,,,,,0.0,,,,,,,0.0,0.0,,,
O=S1(=O)N=C(Oc2ccccc2)c2ccccc21,CID686407,,0.0,,,,,0.0,,0.0,0.0,,,,,,,
CCN(CC)c1cccc(OC2=NS(=O)(=O)c3ccccc32)c1,CID829194,,,,,,,,,,0.0,,,0.0,,,,0.0
Cc1ccc(OC2=NS(=O)(=O)c3ccccc32)cc1,CID747902,,,,,,,,,,0.0,,,,0.0,,,
Cc1ccccc1OC1=NS(=O)(=O)c2ccccc21,CID790224,,,,,,,,,,,,,,0.0,,,
CCC1CCCCN1CCCNC(=O)CC1Oc2ccccc2NC1=O,CID5308976,,,0.0,,,0.0,,,0.0,,,,,0.0,,,
Cc1ccc2c(c1)NC(=O)C(CC(=O)NCCCN1CCCCC1)O2,CID5308912,0.0,0.0,,,,,,,,,,,,,,0.0,
CC1CC(C)CN(CCCNC(=O)CC2Oc3ccccc3NC2=O)C1,CID5309199,,,0.0,,,,,,,,,,,,,,
Cc1ccc2c(c1)NC(=O)C(CC(=O)NCCCN1CCCCC1C)O2,CID5307878,,,0.0,,,,,0.0,,,,,,,,,0.0
CCC1CCCCN1CCCNC(=O)CC1Oc2ccc(C)cc2NC1=O,CID5309122,,,,,,,0.0,,,,,,0.0,,,0.0,
CC(C)(C)c1ccc(Cn2[nH]nc3c(=O)nc(C4CCN(C(=O)Cc5cccs5)CC4)nc2-3)cc1,CID649282,0.0,,,,,,,,,0.0,0.0,,,,,0.0,
O=C(Cc1cccs1)N1CCC(c2nc3n(Cc4ccccc4Cl)[nH]nc-3c(=O)n2)CC1,CID650085,0.0,0.0,,0.0,0.0,,,,,,0.0,,,,,,0.0
Cc1ccc(Cn2[nH]nc3c(=O)nc(C4CCN(C(=O)Cc5cccs5)CC4)nc2-3)cc1,CID651217,0.0,0.0,0.0,0.0,0.0,,,,,0.0,,,,,,0.0,
O=C(Cc1cccs1)N1CCC(c2nc3n(Cc4ccccc4)[nH]nc-3c(=O)n2)CC1,CID652363,0.0,,,,0.0,0.0,,0.0,,,,,0.0,,,0.0,0.0
O=C(Cc1cccs1)N1CCC(c2nc3n(Cc4ccc(F)cc4)[nH]nc-3c(=O)n2)CC1,CID647986,0.0,0.0,0.0,,,,,,,,,,,,,0.0,
O=C(NCc1ccco1)C(c1ccc(F)cc1)N(CC1CCCO1)C(=O)Cn1nnc2ccccc21,CID649285,,,,,,,,,,0.0,,,,,,,
Cc1ccccc1C(C(=O)NCc1ccco1)N(CC1CCCO1)C(=O)Cn1nnc2ccccc21,CID644932,,,,,,0.0,,,,,,0.0,,,,,
O=C(NCc1ccco1)C(c1ccccc1)N(CC1CCCO1)C(=O)Cn1nnc2ccccc21,CID654646,,,,,,,0.0,,,0.0,0.0,0.0,,,,,
Cc1ccc(C(C(=O)NCc2ccco2)N(CC2CCCO2)C(=O)Cn2nnc3ccccc32)cc1,CID648318,,0.0,,,,,,,,,,,0.0,,,,
O=C(NCc1ccco1)C(c1ccccc1F)N(CC1CCCO1)C(=O)Cn1nnc2ccccc21,CID650582,,,,,,,0.0,,,,0.0,,,,,,
Cc1nn(-c2ccccc2)c2c1C1(C(=O)N(C)c3ccccc31)C(C#N)=C(N)O2,CID2953576,,0.0,0.0,,,,,,0.0,0.0,,,,,,0.0,
CC(=O)N1C(=O)C2(C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)c2ccccc21,CID2997871,0.0,,0.0,,,,,,0.0,,,,,,,0.0,
COC(=O)CN1C(=O)C2(C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)c2ccccc21,CID3245095,,,,,,,0.0,0.0,,,0.0,,0.0,,,,0.0
Cc1nn(-c2ccccc2)c2c1C1(C(=O)N(C(C)C)c3ccccc31)C(C#N)=C(N)O2,CID664586,,,0.0,,,,,,0.0,,,,,,,0.0,0.0
CCN1C(=O)C2(C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)c2ccccc21,CID663933,,,0.0,0.0,,0.0,,,0.0,,,,,,,0.0,
Cc1cc(N2C(=O)CC(Cc3ccc(Cl)cc3)C2=O)no1,CID2956270,,,,,,,,,,0.0,,,,,,,
Cc1cc(C)cc(CC2CC(=O)N(c3cc(C)on3)C2=O)c1,CID659866,0.0,,,,,,0.0,0.0,,0.0,,,,,0.0,,
Cc1cc(N2C(=O)CC(Cc3ccccc3)C2=O)no1,CID2924610,,,0.0,,,0.0,0.0,0.0,,0.0,0.0,,,,,0.0,
Cc1cc(N2C(=O)CC(C(C)c3ccccc3)C2=O)no1,CID3157159,,,,,,,,,,0.0,,,,,,,
Cc1ccc(CC2CC(=O)N(c3cc(C)on3)C2=O)cc1,CID2929957,,0.0,0.0,,,,0.0,,,0.0,,,,,0.0,,
CC(=O)N1N=C(c2ccc(C)cc2)OC1c1ccc(C)cc1,CID3107378,,,,,,0.0,,,0.0,,,,,,,,
CC(=O)N1N=C(c2cccc(Cl)c2)OC1c1ccc(C(C)C)cc1,CID3679844,,,,,,0.0,,,,,,,,,,,
CC(=O)N1N=C(c2ccc(Cl)cc2)OC1c1ccc(C(C)C)cc1,CID3146024,,,,,,0.0,,,,,,,,,,,
COc1ccccc1C1OC(c2cccc([N+](=O)[O-])c2)=NN1C(C)=O,CID3129461,,,,,,,,,,,,,,0.0,,,
CC(=O)N1N=C(c2ccc(C)cc2)OC1c1ccc(C(C)C)cc1,CID3897232,,,,,,,,,,,0.0,,,,,,
COC(=O)c1ccc(C2/C(=C(/O)c3ccc(OC)cc3)C(=O)C(=O)N2Cc2ccco2)cc1,CID5389274,,,,,,,,,,0.0,,,,,,,
COc1ccccc1C1/C(=C(/O)c2ccc(C)cc2)C(=O)C(=O)N1Cc1ccco1,CID5389267,,,,0.0,,,,,,,,,,,,,
COc1ccc(OC)c(C2/C(=C(/O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccco2)c1,CID5389246,,,0.0,,,,,,,,,,,,,,
COc1cccc(C2/C(=C(/O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccco2)c1,CID5389283,,,,,,,0.0,0.0,,0.0,,,,,,,
COc1ccc(OC)c(C2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2Cc2ccco2)c1,CID5389251,,,0.0,,,,,,,,,,,,,,
CCOC(=O)C(Cc1ccccc1)NC(=O)Cn1nnc(-c2ccccc2)n1,CID3243741,,0.0,0.0,0.0,,,,,,,,,,,,,
O=C(Cn1nnc(-c2ccccc2F)n1)NCCc1ccccc1,CID686474,,0.0,0.0,,,,,,,,,0.0,,,,,
COc1ccc(CCNC(=O)Cn2nnc(-c3ccc(N(C)C)cc3)n2)cc1OC,CID1373930,,,,,,,,,,,0.0,,,,,,
COc1ccc(CCNC(=O)Cn2nnc(-c3ccccc3F)n2)cc1OC,CID1073158,,,,,,,,,,,,,,,0.0,,
COc1ccc(CCNC(=O)Cn2nnc(-c3cccc(OC)c3OC)n2)cc1OC,CID655665,,,,,,,0.0,0.0,,,,,,,,,
Cc1c(C(=O)CN2CCSCC2)c2ccccc2n1C,CID915006,,,,,,,,,,,,0.0,,,,,
Cc1ccc2c(C(=O)CN3CCSCC3)c(C)[nH]c2c1,CID660199,,,,,0.0,,0.0,,,,,,,,0.0,,
Cc1[nH]c2ccccc2c1C(=O)CN1CCSCC1,CID659447,,,0.0,,0.0,,0.0,0.0,,,,,,,,,
O=C(CN1CCSCC1)c1c[nH]c2ccccc12,CID913332,,,,,,0.0,,,,0.0,,,,,,,
CC(C(=O)c1c[nH]c2ccccc12)N1CCSCC1,CID5149832,,,,,,,,,,,,0.0,,,0.0,,
COc1ccccc1NC(=O)C1(C)Cc2ccccc2C(=O)O1,CID3158993,,,,,,,,0.0,,,,,0.0,,0.0,0.0,0.0
Cc1ccccc1NC(=O)C1(C)Cc2ccccc2C(=O)O1,CID3158988,,,,,,,,,,,,,,,0.0,,
COc1ccc(NC(=O)C2Cc3ccccc3C(=O)O2)cc1,CID2945486,,,,,,,0.0,,,0.0,,,,,,0.0,0.0
CC1(C(=O)Nc2ccccc2C(=O)O)Cc2ccccc2C(=O)O1,CID2982520,,0.0,,0.0,,,0.0,,,,,,,,,,
Cc1ccccc1NC(=O)C1Cc2ccccc2C(=O)O1,CID2953184,,,,,,,,,,0.0,0.0,,0.0,,,0.0,
C=CCc1cc(C)cc(C)c1OCCn1cncn1,CID976045,,,,0.0,,,,,,,,,,,,0.0,
Clc1cccc(OCCn2cncn2)c1Cl,CID976043,,,,,,,0.0,,,,,,,,,,
COc1ccc(OCCn2cncn2)cc1,CID976063,,,,,,0.0,,,0.0,,0.0,,,,,,
C/C=C/c1ccc(OCCn2cncn2)c(OC)c1,CID976173,,,,0.0,,,0.0,,,,,,,,0.0,0.0,
CCC(=O)c1ccc(OCCn2cncn2)cc1,CID976083,,,,,,,0.0,0.0,0.0,,,,,,0.0,,
CCc1cccc(NC(=O)c2snc3c(=O)nc[nH]c23)c1,CID645262,,0.0,,0.0,,,0.0,,0.0,,,0.0,,,,0.0,
Cc1cccc(NC(=O)c2snc3c(=O)nc[nH]c23)c1,CID648002,,,,0.0,,,0.0,,,,,0.0,,,,0.0,
Cc1ccc(NC(=O)c2snc3c(=O)nc[nH]c23)cc1C,CID3231229,,,,,,,,,,,,0.0,,,0.0,,
Cc1ccccc1NC(=O)c1snc2c(=O)nc[nH]c12,CID3231226,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)cc(NC(=O)c2snc3c(=O)nc[nH]c23)c1,CID3231232,,,,,,,,,,,,0.0,,,,,
CCCCNC(=O)CC1N=C2c3ccccc3N=C(SCC(=O)Nc3ccccc3OC)N2C1=O,CID3236396,,,0.0,,0.0,,,,,,,,,,,0.0,
CCCCNC(=O)CC1N=C2c3ccccc3N=C(SCC(=O)Nc3cccc(C)c3)N2C1=O,CID3237213,,,,,0.0,,,,,,,,,,,0.0,
CCCCNC(=O)CC1N=C2c3ccccc3N=C(SCC(=O)Nc3ccc(OC)cc3)N2C1=O,CID3245168,,,0.0,,0.0,,,,,0.0,,,,,,0.0,
CCCCNC(=O)CC1N=C2c3ccccc3N=C(SCC(=O)Nc3cccc(OC)c3)N2C1=O,CID3238251,,,0.0,,0.0,,0.0,,,,,,,,,0.0,
CCCCNC(=O)CC1N=C2c3ccccc3N=C(SCC(=O)Nc3ccccc3C)N2C1=O,CID3237817,,,,,0.0,,,,,,,,0.0,0.0,,0.0,
Cc1ccc(CS(=O)(=O)Cc2ccc(C(=O)NCCCN3CCOCC3)o2)cc1,CID3241889,,,,,0.0,,,,,,0.0,,,,,,
Cc1cccc(CS(=O)(=O)Cc2ccc(C(=O)NCCCN3CCOCC3)o2)c1,CID3239784,,0.0,,0.0,0.0,,,,,,,,,,,,
O=C(NCCCN1CCOCC1)c1ccc(CS(=O)(=O)Cc2ccccc2Cl)o1,CID3242196,0.0,,,,,,0.0,,,,,,,,,,
O=C(NCCCN1CCOCC1)c1ccc(CS(=O)(=O)Cc2ccc(Cl)cc2)o1,CID3238210,0.0,,,,,,,,,,,0.0,,,0.0,,
Cc1ccccc1CS(=O)(=O)Cc1ccc(C(=O)NCCCN2CCOCC2)o1,CID3245028,,,,,0.0,,,,,,,,,,0.0,0.0,
CC1CCN(S(=O)(=O)c2cccc(-c3cn4cc(Cl)ccc4n3)c2)CC1,CID3909808,,,,,,,,,,0.0,,,,,,,
CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3cn4ccccc4n3)c2)CC1,CID664689,0.0,,0.0,,0.0,0.0,0.0,0.0,,,,,,,0.0,,
CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3cn4cc(Cl)ccc4n3)c2)CC1,CID4273034,,,,,,,,,,,0.0,,,,,,
CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3cn4cccc(C)c4n3)c2)CC1,CID665740,0.0,,0.0,,0.0,,,,,,,,0.0,,,,
CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3cn4cc(C)ccc4n3)c2)CC1,CID3753472,,,,,,0.0,,,,,,,,,,,
COc1ccc(N2CCN(C(CNC(=O)Oc3ccccc3)c3cccnc3)CC2)cc1,CID3237664,,,0.0,,,,,,,,,0.0,,,,,0.0
O=C(NCC(c1cccnc1)N1CCN(c2ccccc2)CC1)Oc1ccccc1,CID3243390,,,0.0,,,,0.0,,,,0.0,,,,,,0.0
COc1ccccc1N1CCN(C(CNC(=O)Oc2ccccc2)c2cccnc2)CC1,CID3236758,,,0.0,,,0.0,0.0,,,,0.0,,0.0,,,,0.0
O=C(NCC(c1cccnc1)N1CCN(c2ccccc2F)CC1)Oc1ccccc1,CID3240770,,,0.0,,,,,0.0,,,,,,,,,0.0
O=C(NCC(c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)Oc1ccccc1,CID3242548,,,,,,,,0.0,,,,,,,,,
CCOC(=O)c1ccc(N2C(=O)c3ccc(C(=O)Nc4ccccc4C(=O)O)cc3C2=O)cc1,CID1230924,,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccc(O)cc1)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O,CID5004936,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2cccc(C)c2)C3=O)cc1,CID1367757,,,,,,0.0,,,,,,,,,,,
Cc1ccc(N2C(=O)c3ccc(C(=O)Nc4ccc(O)cc4)cc3C2=O)cc1C,CID1041537,,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccccc1C(=O)O)c1ccc2c(c1)C(=O)N(c1ccc(O)cc1)C2=O,CID5339792,,,,,,0.0,,,,,,,,,,,
Cc1cc(F)ccc1NCc1cccnc1,CID743725,,,,,,0.0,,,,,,,,,,,
Fc1ccc(NCc2cccnc2)cc1,CID645683,,0.0,,,,,,0.0,,,,,,,,,
O=C(O)c1cccc(NCc2cccnc2)c1,CID935607,,,,,,0.0,,,,0.0,,,,,,,
NC(=O)c1cc([N+](=O)[O-])ccc1NCc1cccnc1,CID2906793,,,,,,,,,,,,,,,0.0,,
O=C(O)c1ccc(NCc2cccnc2)cc1,CID151393,,,0.0,,,,0.0,,,,,,0.0,,,,0.0
O=C(c1cccs1)N(Cc1ccco1)Cc1cc2ccccc2[nH]c1=O,CID666545,0.0,,0.0,,0.0,,,,,,,,,0.0,,,
Cc1cccc2cc(CN(Cc3ccco3)C(=O)c3cccs3)c(=O)[nH]c12,CID666219,0.0,,0.0,,0.0,,0.0,,,0.0,,,,,,,
Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)c3cccs3)cc2c1,CID667339,0.0,,0.0,,0.0,,0.0,,,,,,,,,,
Cc1ccc2cc(CN(Cc3ccco3)C(=O)c3cccs3)c(=O)[nH]c2c1,CID666723,0.0,,,,0.0,,0.0,,,0.0,,,0.0,,,,
Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccco3)C(=O)c3cccs3)cc2c1,CID1453790,,,,,,0.0,,,,,,,,,,,
COc1cc(OC)c(C(=O)Nc2ncn[nH]2)cc1OC,CID912398,,,,,,,,0.0,0.0,,0.0,,,,,,
CC(C)(C)c1ccc(C(=O)Nc2ncn[nH]2)cc1,CID595272,,,,,,,,,,,,,,,0.0,,
CCOc1cc(C(=O)Nc2ncn[nH]2)cc(OCC)c1OCC,CID888323,,,,,,,,,,,,,,,0.0,,
CCOC(=O)CSc1n[nH]c(NC(=O)c2cccc(C(F)(F)F)c2)n1,CID3679287,,,,,,,,,,,,0.0,,,,,
COc1cccc(OC)c1C(=O)Nc1ncn[nH]1,CID2858889,,,,,,0.0,,,,,,,,,,,
CCOC(=O)C1=C(c2ccccc2)NC(=S)NC1c1ccc(OC)cc1,CID2879750,,,,,,0.0,,,,,,,,,,,
CCOC(=O)C1=C(c2ccccc2)NC(=S)NC1c1ccc(OC(C)C)cc1,CID2885187,,,,,,0.0,,,,,,,,,,,
COc1ccc(C2=CC(c3ccc(OC)c(OC)c3)NC(=S)N2)cc1,CID3676411,,,,,,,,,,,,,,,0.0,,
COc1cc(C2NC(=S)NC(c3ccccc3)=C2C(C)=O)cc(Cl)c1OCC(=O)O,CID2962595,,,,,,,,,,,,0.0,,,,,
CCOC(=O)C1=C(c2ccccc2)NC(=S)NC1c1ccc(C)c([N+](=O)[O-])c1,CID2931120,,,,,,,,,,,,,,,0.0,,
Cc1ccc(CNC(=O)C2CC(c3cccc([N+](=O)[O-])c3)=NO2)o1,CID11958534,,,,,,0.0,,,,,,,,,,,
COc1ccc(C2=NOC(C(=O)NCc3ccco3)C2)cc1OC,CID3235582,0.0,0.0,,,,,,0.0,0.0,,,,,,,,
COc1cc(C2=NOC(C(=O)NCc3ccco3)C2)cc(OC)c1OC,CID3236524,,,,,,,,0.0,,,0.0,,0.0,,,,
COc1ccc(C2=NOC(C(=O)NCc3ccco3)C2)cc1,CID2978784,,,,,,,,,0.0,,,,,,,,
COc1cccc(C2=NOC(C(=O)NCc3ccco3)C2)c1,CID3243579,0.0,,,0.0,,,,,,,,,,,,,0.0
Cc1occc1-c1nnc(SCC(=O)N2CC(=O)Nc3ccccc32)n1CC(C)C,CID652909,0.0,0.0,,,,,,,,0.0,0.0,,,,,0.0,0.0
CCn1c(SCC(=O)N2CC(=O)Nc3ccccc32)nnc1-c1ccoc1C,CID654037,,0.0,,0.0,,,,0.0,,,0.0,,,,,,
COCCn1c(SCC(=O)N2CC(=O)Nc3ccccc32)nnc1-c1ccoc1C,CID3214032,,,,,,,,,,,,,,,0.0,,
COCCCn1c(SCC(=O)N2CC(=O)Nc3ccccc32)nnc1-c1ccoc1C,CID645123,,,0.0,,,,,,,0.0,,0.0,,,0.0,,0.0
CCCCn1c(SCC(=O)N2CC(=O)Nc3ccccc32)nnc1-c1ccoc1C,CID653093,0.0,,,,,,,0.0,,,,0.0,,,,,0.0
Cc1nc(N2CCN(c3ccccc3)CC2)nc2c1C(=O)CC(c1ccccc1)C2,CID667234,0.0,,0.0,,,0.0,,,,,0.0,,,,0.0,,
O=C1CC(c2ccc(F)cc2)Cc2nc(N3CCN(c4ccccc4)CC3)ncc21,CID665531,,0.0,,,,,,,,,,0.0,,,,0.0,
Cc1ccc(C2CC(=O)c3cnc(N4CCN(c5ccccc5)CC4)nc3C2)cc1,CID666340,0.0,0.0,,0.0,,,,,,,,,,,,,
COc1ccc(C2CC(=O)c3c(C)nc(N4CCN(c5ccccc5)CC4)nc3C2)cc1,CID665990,0.0,,0.0,,,,0.0,,,,,,,,,,
O=C1CC(c2cccc(Cl)c2)Cc2nc(N3CCN(c4ccccc4)CC3)ncc21,CID665827,0.0,,,0.0,,,,,,,,,0.0,,,,0.0
O=c1nc(SCc2ccccc2Cl)[nH]c2c1CCC2,CID729956,,0.0,0.0,,0.0,,,,,0.0,,,,0.0,,,0.0
Cc1ccccc1CSc1nc(=O)c2c([nH]1)CCC2,CID3245984,,,,0.0,0.0,,,,,,0.0,,,0.0,,,
Cc1ccc(CSc2nc(=O)c3c([nH]2)CCC3)cc1,CID2072958,,,,,0.0,,,0.0,,,,,0.0,,,,0.0
Cc1cccc(CSc2nc(=O)c3c([nH]2)CCC3)c1,CID2055149,,,,,,,,,,,,,,,0.0,,
O=c1nc(SCc2ccc(Cl)cc2)[nH]c2c1CCC2,CID2047223,,,,0.0,0.0,,0.0,,,0.0,,,,0.0,,,
Cc1ccccc1C(=O)OCc1nnc(-c2ccc(Cl)cc2)o1,CID2101471,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C(=O)OCc2nnc(-c3ccc(Br)cc3)o2)cc1,CID2389097,,,,,,,,,,,,,,,0.0,,
O=C(OCc1nnc(-c2ccccc2)o1)c1cc(Cl)ccc1[N+](=O)[O-],CID2436782,,,,,,,,,,,,,,,0.0,,
O=C(OCc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1,CID2377970,,,,,,,,,,,,,,0.0,,,
O=C(OCc1nnc(-c2ccccc2)o1)c1ccc(CO)cc1,CID2403875,,,,,,,,,,,,,,0.0,,,
COc1ccccc1C1C2CCCCC2(O)CCN1CC(=O)Nc1ccccc1,CID663829,,,,0.0,,,,,,,,,,0.0,,,
COc1cc(C2C3CCCCC3(O)CCN2CC(=O)Nc2ccc(C)cc2)ccc1O,CID667161,,,,,,,,0.0,,0.0,,,,,,,
COc1ccc(NC(=O)CN2CCC3(O)CCCCC3C2c2cc(OC)ccc2OC)cc1,CID664325,,,,,,,,,,0.0,,0.0,,,,,
COc1ccc(NC(=O)CN2CCC3(O)CCCCC3C2c2ccccc2OC)cc1,CID664294,,,,,,,,0.0,,,,,,,,,
COc1cc(C2C3CCCCC3(O)CCN2CC(=O)Nc2ccc(C)cc2C)ccc1O,CID666136,,,0.0,,,,,,,,,,,,,,
Cc1ccc(C2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCN(C)C)o1,CID663820,,,0.0,,0.0,,,0.0,,0.0,,,,0.0,,,
CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)C1c1ccco1,CID663699,,,,0.0,0.0,,,,,,,,,,,,0.0
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)C2c2ccco2)s1,CID664027,,,0.0,,0.0,,,,,,,,0.0,,,,
Cc1ccc(C2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCCN(C)C)o1,CID664768,,0.0,0.0,,0.0,,,,,,,,,,,,
CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)C1c1ccc(C)o1,CID664481,,,0.0,0.0,0.0,,,,,,0.0,,,,,,0.0
CC(C)NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc3c(c2)OCO3)c(Cl)c1,CID1265764,0.0,,,0.0,,,,,,,,0.0,,,,0.0,0.0
O=C(COc1ccccc1)NCc1ccc2c(c1)OCO2,CID652217,,,,0.0,,,0.0,0.0,0.0,,0.0,,,,,0.0,
CCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccc3c(c2)OCO3)cc1,CID647724,,,,,,,,,,,,,0.0,,,,
Cc1ccc(OCC(=O)NCc2ccc3c(c2)OCO3)cc1,CID845226,,,,,,0.0,,,,,,,,,,,
CCC(C)NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc3c(c2)OCO3)cc1,CID2955392,,,0.0,,,,,,,0.0,0.0,,,,,,
CCOc1ccc(N(CC(=O)NC2CCCC2)C(=O)CCCC(=O)Nc2ccccn2)cc1,CID3197403,,,,,,,,,,,,0.0,,,,,
CCOc1ccccc1N(CC(=O)NC1CCCC1)C(=O)CCCC(=O)Nc1ccccn1,CID648704,0.0,,,,,,0.0,,0.0,,0.0,,0.0,,,,0.0
Cc1ccc(N(CC(=O)NC2CCCC2)C(=O)CCCC(=O)Nc2ccccn2)cc1C,CID651519,,0.0,,,,,0.0,,,,,0.0,0.0,,,,0.0
Cc1cccc(N(CC(=O)NC2CCCC2)C(=O)CCCC(=O)Nc2ccccn2)c1,CID645689,,0.0,0.0,,,,,,,,,,,,,,0.0
Cc1ccc(C)c(N(CC(=O)NC2CCCC2)C(=O)CCCC(=O)Nc2ccccn2)c1,CID645297,,,0.0,,,,0.0,0.0,,,0.0,,,,,,0.0
CCOC(=O)C1CCN(S(=O)(=O)c2c(C)n(C)c(=O)n(C)c2=O)CC1,CID5310422,,,0.0,0.0,,,,0.0,,,,,,,,,
COC(=O)C1CCN(S(=O)(=O)c2c(C)n(C)c(=O)n(C)c2=O)CC1,CID5309985,,,0.0,,,,,0.0,,,,,,,,,
CCOC(=O)C1CCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1,CID5310515,,,,,,,,0.0,,,,,,,,,
CCOC(=O)C1CCN(S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)CC1,CID3245515,,,,0.0,,,,,,,0.0,,,,,,
CCOC(=O)C1CCCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1,CID5310060,,,,,,,0.0,,,,0.0,,,,,,
Cc1ccsc1C(=O)OCC(=O)NCc1ccc2c(c1)OCO2,CID2386764,,,,,,,,,,,,,,0.0,,,
O=C(COC(=O)c1cccs1)NCc1ccc2c(c1)OCO2,CID2432784,,,0.0,,0.0,0.0,,0.0,0.0,,,,,0.0,,0.0,
CCC(OC(=O)c1cccs1)C(=O)NCc1ccc2c(c1)OCO2,CID647910,,0.0,,0.0,,,,0.0,,,,,,,,,
CC(OC(=O)c1cccs1)C(=O)NCc1ccc2c(c1)OCO2,CID2999481,,,0.0,0.0,,,0.0,0.0,0.0,,,,,,,,
Cc1ccc(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)s1,CID2369268,,,0.0,,,,,,0.0,,,,,0.0,,,
CCCc1cc(C(=O)NCCc2ccccc2)no1,CID5307531,,,,0.0,,,,,,,0.0,,,,,0.0,
COc1ccc(CCNC(=O)c2cc(C(C)C)on2)cc1OC,CID5309191,,,,,,,,,,,,,,,,0.0,
Cc1cc(C(=O)NCCc2ccc(Cl)cc2)no1,CID1245472,,,,,,,,,,,,,,0.0,,,
CCCc1cc(C(=O)NCCc2ccc(OC)c(OC)c2)no1,CID5309116,,,,,,,,,,,,,0.0,,,0.0,
CC(C)Cc1cc(C(=O)NCCc2ccccc2)no1,CID5308322,0.0,,,,,,,0.0,,,,,0.0,,,0.0,
CCCn1c(O)c(C(=O)NCc2ccc(OC)c(OC)c2)c(=O)c2ccccc21,CID654774,0.0,,,0.0,,0.0,0.0,,0.0,,,0.0,,,,,
CCn1c(O)c(C(=O)NCc2ccc(OC)c(OC)c2)c(=O)c2ccccc21,CID652238,0.0,,,,,,0.0,,0.0,,0.0,0.0,,0.0,,,
CCn1c(O)c(C(=O)NCc2ccc(OC)cc2)c(=O)c2ccccc21,CID653781,0.0,,0.0,,,,0.0,0.0,,,,0.0,0.0,,,,
CCn1cc(C(=O)NCc2ccccc2OC)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21,CID5307161,,,,,,,,,,,,,,0.0,,,
COc1ccc(CNC(=O)c2c(O)n(C)c3ccccc3c2=O)cc1OC,CID655868,0.0,0.0,,,0.0,0.0,0.0,,0.0,,,0.0,,,,,
Cn1c(NCc2ccccc2)nc2c1c(=O)n(Cc1ccc(Br)cc1)c(=O)n2C,CID657806,0.0,,,,,,0.0,,0.0,,,,,,,,
COc1ccc(CNc2nc3c(c(=O)n(Cc4ccc(Cl)cc4)c(=O)n3C)n2C)cc1,CID662386,0.0,,0.0,,,0.0,0.0,,,,,,0.0,,,,
COc1ccc(CNc2nc3c(c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)n2C)cc1,CID663192,0.0,,0.0,,,,,,,,,,,,,,
Cn1c(NCc2ccccc2)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C,CID657605,0.0,0.0,0.0,0.0,,,,,,,0.0,0.0,,,,,0.0
COc1ccc(CNc2nc3c(c(=O)n(Cc4ccc(Br)cc4)c(=O)n3C)n2C)cc1,CID662832,0.0,,,,,,,,0.0,,,,,,,,0.0
Cc1ccc(OCC(=O)N(Cc2ccc(N(C)C)cc2)C2CCS(=O)(=O)C2)cc1,CID662327,,0.0,,,0.0,,,0.0,,,,,,,,0.0,0.0
CN(C)c1ccc(CN(C(=O)COc2ccc(F)cc2)C2CCS(=O)(=O)C2)cc1,CID663596,,,,,,0.0,,,,,0.0,,0.0,,,,0.0
CN(C)c1ccc(CN(C(=O)COc2ccccc2)C2CCS(=O)(=O)C2)cc1,CID663101,,,0.0,,0.0,,,0.0,,,,,0.0,,,0.0,0.0
CN(C)c1ccc(CN(C(=O)COc2ccc(Br)cc2)C2CCS(=O)(=O)C2)cc1,CID662738,0.0,,,,,,,,0.0,,,,,,,,
Cc1ccccc1OCC(=O)N(Cc1ccc(N(C)C)cc1)C1CCS(=O)(=O)C1,CID662889,,,,,0.0,,,,,,,,,,,0.0,
CCOC(=O)c1ccc(COC(=O)CNS(=O)(=O)c2ccccc2)cc1,CID1299274,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)NCC(=O)OCc2ccccc2Br)cc1,CID2233922,,,,,,,,,,,,,,,0.0,,
COC(=O)c1ccc(COC(=O)CNS(=O)(=O)c2ccccc2)cc1,CID1287122,,,,,,,,,,,,,,0.0,0.0,,
CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCc2ccccc2)cc1,CID2457894,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)NCC(=O)OCc2ccccc2)cc1,CID273360,,,,,,,,,,,,,,0.0,,,
COc1cc(-c2nnc3sc(C4CCCCC4)nn23)cc(OC)c1OC,CID662261,,,,,0.0,,,,,,,,,,,,0.0
COc1ccc(-c2nnc3sc(C4CCCCC4)nn23)cc1OC,CID663173,0.0,,,,0.0,,0.0,,,,0.0,,,0.0,,,
CCOc1cccc(-c2nnc3sc(C4CCCCC4)nn23)c1,CID662416,0.0,,,,,,,,,,,,,,,,0.0
COc1ccccc1-c1nnc2sc(C3CCCCC3)nn12,CID663299,,,,,0.0,,0.0,,,,0.0,,,0.0,,,
COc1cccc(-c2nnc3sc(C4CCCCC4)nn23)c1,CID662755,,0.0,,,0.0,,0.0,,,,,,,,,,
CCCNC(=O)c1c(N)n(CC2CCCO2)c2nc3ccccc3nc12,CID662264,,0.0,0.0,,,0.0,,0.0,,,,,0.0,,,,
CCC(C)NC(=O)c1c(N)n(CC2CCCO2)c2nc3ccccc3nc12,CID662288,,,,0.0,,,,0.0,,0.0,,,,0.0,,,
CC(C)CCNC(=O)c1c(N)n(CC2CCCO2)c2nc3ccccc3nc12,CID662361,,,0.0,,,0.0,,,,,,,0.0,,0.0,,
CC(C)CCOC(=O)c1c(N)n(CC2CCCO2)c2nc3ccccc3nc12,CID662022,,,,,,,,,,,,,0.0,0.0,,,
CC(C)OC(=O)c1c(N)n(CC2CCCO2)c2nc3ccccc3nc12,CID660785,,,,,,,,,,,0.0,,0.0,,,,
O=C(NCC(c1cccnc1)N1CCN(c2ccccc2F)CC1)C1CCCCC1,CID3241664,,,,,,,,,,,,,,,,,0.0
COc1ccccc1N1CCN(C(CNC(=O)C2CCCCC2)c2cccnc2)CC1,CID5310238,,,,,,,,,,0.0,,,0.0,,0.0,,
O=C(NCC(c1cccnc1)N1CCN(c2ccccc2)CC1)C1CCCCC1,CID3243914,0.0,,,,,,,,,,,,,,,,
O=C(NCC(c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)C1CCCCC1,CID3243704,,,,,,,,,,,,,,,,,0.0
COc1ccc(N2CCN(C(CNC(=O)C3CCCCC3)c3cccnc3)CC2)cc1,CID3240844,0.0,,0.0,,,0.0,,,,,,,,,,,
COCCN1C(=O)C(O)=C(C(=O)c2cccs2)C1c1ccccc1,CID3147557,,,,,,0.0,,,,,0.0,,,,,,
O=C1NC(c2ccccc2)C(C(=O)c2cccs2)=C1O,CID647511,,,,,0.0,,,0.0,,,,,,,,,
COc1cccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(C)C)c1OC,CID2917409,,,,,0.0,,,,,,0.0,,,,,,
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)C1c1cccc([N+](=O)[O-])c1,CID2908803,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(OC)c(C2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(C)C)c1,CID662146,,,,,0.0,,,0.0,,,,,,,,,0.0
COc1ccc(/C=C2\C(=O)ON=C2c2cccc([N+](=O)[O-])c2)cc1,CID882287,,,,,,,,,,,,,,0.0,,,
C=CCOc1ccccc1/C=C1/C(=O)ON=C1c1ccc(Cl)cc1,CID2263547,,,,,,0.0,,,,,,,,,,,
COc1cccc(/C=C2/C(=O)ON=C2c2ccccc2)c1OC,CID707321,,,,,,0.0,,,,,,,,,,,
COc1ccc(/C=C2/C(=O)ON=C2c2ccccc2)cc1OC,CID809302,,,,,,,,,,,,,,0.0,,,
COc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(OC)c1OC,CID880972,,,,,,,,,,,,,,0.0,,,
O=C(C1CCCO1)N1CCN(C(=S)Nc2ccc(Cl)cc2Cl)CC1,CID2909929,,,,,,,,,,,,,,,0.0,,
Cc1cccc(NC(=S)N2CCN(C(=O)C3CCCO3)CC2)c1,CID2910413,,,,,,,,,,,,,,,0.0,,
O=C(C1CCCO1)N1CCN(C(=S)Nc2ccccc2Cl)CC1,CID2910390,,,,,,,,,,,,,,,0.0,,
O=C(C1CCCO1)N1CCN(C(=S)Nc2cccc(Cl)c2)CC1,CID2909436,,,,,,,,,,,,,,,0.0,,
O=C(C1CCCO1)N1CCN(C(=S)Nc2ccc(Cl)cc2)CC1,CID2909519,,,,,,,,,,,,,,,0.0,,
Cc1ccc(CNc2ccc(N3CCOCC3)c(C(=O)O)c2)s1,CID665912,,,,0.0,0.0,,0.0,,,0.0,,,0.0,0.0,0.0,0.0,
Clc1cc(NCc2cccs2)ccc1N1CCOCC1,CID755952,,0.0,0.0,0.0,0.0,,0.0,,,0.0,,,0.0,,,,0.0
Cc1ccc(CNc2ccc(N3CCOCC3)cc2)s1,CID648863,0.0,0.0,,,0.0,,0.0,,0.0,,,,,,,,
O=C(O)c1cc(NCc2cccs2)ccc1N1CCOCC1,CID666124,0.0,,,0.0,0.0,,,0.0,,,,,,0.0,,,
COC(=O)c1cc(NCc2cccs2)ccc1N1CCOCC1,CID666194,0.0,,0.0,,0.0,,,,,,,0.0,0.0,,,,
c1ccc(-c2nc3ccccn3c2NCc2ccc3c(c2)OCO3)cc1,CID857997,,,,,,0.0,,,,0.0,,0.0,,,,,
Cc1ccc(-c2nc3ccccn3c2NCc2ccc3c(c2)OCO3)cc1,CID3205758,,,,,,0.0,,,,,,0.0,,,,,
COc1ccc(-c2nc3ccccn3c2NCc2ccc3c(c2)OCO3)cc1,CID3205757,,,,,,,,,0.0,,,0.0,,,,,
Oc1ccc(-c2nc3ccccn3c2NCc2ccc3c(c2)OCO3)cc1,CID650218,0.0,,,0.0,,,,0.0,,,0.0,0.0,,,,,
Cc1ccn2c(NCc3ccc4c(c3)OCO4)c(-c3ccc(O)cc3)nc2c1,CID3205780,,,,,,,,,,,,0.0,,,,,
COc1cc(C(=O)N2CCC(NC(=O)C(Cc3ccc(C)cc3)NC(C)=O)CC2)cc(OC)c1OC,CID648960,,,,,,,,,,,,0.0,0.0,0.0,,,
COc1cc(C(=O)N2CCC(NC(=O)C(Cc3ccc(C(C)C)cc3)NC(C)=O)CC2)cc(OC)c1OC,CID3227029,,,,,,,,,0.0,,,0.0,,,,,
COc1cc(C(=O)N2CCC(NC(=O)C(Cc3ccccc3)NC(C)=O)CC2)cc(OC)c1OC,CID652749,,,,,,0.0,,0.0,0.0,,,0.0,,,,,
CC(=O)NC(Cc1cccc(C)c1)C(=O)NC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1,CID3227019,,,,,,,,,,,,,,,0.0,,
COc1cc(C(=O)N2CCC(NC(=O)C(Cc3ccccc3C)NC(C)=O)CC2)cc(OC)c1OC,CID646596,,,0.0,,,,,0.0,0.0,,,0.0,,,,,
Cc1nc2sc(C(c3ccco3)N3CCN(c4ccccc4)CC3)c(O)n2n1,CID5062709,,,,0.0,,,,,,,,,,,,0.0,
Cc1nc2sc(C(c3ccco3)N3CCN(c4ccccc4F)CC3)c(O)n2n1,CID3244962,0.0,,,,,,,,,,,,0.0,,0.0,0.0,0.0
Cc1nc2sc(C(c3ccco3)N3CCN(c4ccc(F)cc4)CC3)c(O)n2n1,CID4230296,0.0,,,,,,,,,,,,0.0,,,0.0,
Cc1nc2sc(C(c3ccco3)N3CCN(c4cccc(Cl)c4)CC3)c(O)n2n1,CID3237648,0.0,,,0.0,0.0,,,,,,0.0,0.0,,,,,0.0
COc1ccc(N2CCN(C(c3ccco3)c3sc4nc(C)nn4c3O)CC2)cc1,CID3244241,,,0.0,,,,,0.0,,,,,,,,,
CCCCOc1ccc(S(=O)(=O)NC(=O)NCc2ccc(OCCC)cc2)cc1,CID3097718,,,,,,,,,,0.0,0.0,,,0.0,,,
O=C(NCc1ccccc1)NS(=O)(=O)c1ccccc1Cl,CID744686,0.0,,,0.0,,,,,,,,,,,,,
CCOc1ccc(CNC(=O)NS(=O)(=O)c2ccc(OC)cc2)cc1,CID663371,,,0.0,,,,0.0,0.0,,0.0,,,,0.0,,0.0,
CCCCOc1ccc(CNC(=O)NS(=O)(=O)c2ccc(OCC)cc2)cc1,CID3119506,,,,,,,,,,,0.0,,,,,,
Cc1ccc(S(=O)(=O)NC(=O)NCc2ccccc2)cc1,CID788085,,,,,,,,,0.0,,,0.0,,,,,
O=C(CSc1nnc(-c2ccccc2)o1)c1ccc2c(c1)OCCO2,CID650472,,,,,,0.0,,0.0,,,0.0,,,0.0,,,
CC(C)(C)c1ccc(-c2nnc(SCC(=O)c3ccc4c(c3)OCCO4)o2)cc1,CID3190586,,,,,,,,,,0.0,,0.0,,,,,
O=C(CSc1nnc(-c2ccc(F)cc2)o1)c1ccc2c(c1)OCCO2,CID646798,,,,,,,,0.0,,,,,,,,,
Cc1cc(C)cc(-c2nnc(SCC(=O)c3ccc4c(c3)OCCO4)o2)c1,CID3186847,,,,,,,,,,0.0,,,,,,,
COc1ccc(-c2nnc(SCC(=O)c3ccc4c(c3)OCCO4)o2)cc1,CID3186458,,,,,,,,,,0.0,,,,,,,
Cc1cc(-c2cccnc2)c(C#N)c(SCC#N)n1,CID1982375,,0.0,0.0,0.0,,,,,,0.0,,,0.0,,,,
CCCc1nc(N)c(C#N)c(-c2cccnc2)c1CC,CID933872,,,,0.0,,,,,,,,,0.0,,,0.0,
Cc1nc(N)c(C#N)c(-c2cccnc2)c1C,CID665901,,0.0,,,,,,0.0,,,,,0.0,,,,
CCc1nc(N)c(C#N)c(-c2cccnc2)c1C,CID662708,,0.0,,0.0,,,,,,0.0,,0.0,,,,,
CCOC(=O)CC(=O)CSc1nc(C)cc(-c2cccnc2)c1C#N,CID2216919,,,,0.0,,,,0.0,,,0.0,0.0,,,,,0.0
CN1C(=O)CC(Sc2ccccc2C(=O)O)C1=O,CID3150950,,,,,,,,,0.0,,,0.0,,,,,
CC(C)CN1C(=O)CC(Sc2ccccc2C(=O)O)C1=O,CID2973267,,,,,,,,,,0.0,,0.0,,,,,
CCCCN1C(=O)CC(Sc2ccccc2C(=O)O)C1=O,CID3149564,,,,,,0.0,,,,,,,,,,,
CCN1C(=O)CC(Sc2ccccc2C(=O)O)C1=O,CID2918943,,,,,,,,,0.0,,,,,,,,
CCN1C(=O)CC(Sc2ccccc2N)C1=O,CID2983197,,,,0.0,0.0,,,0.0,,,,,0.0,,,,
CCOc1ccccc1NC(=O)C1C2C=CC(O2)C1C(=O)O,CID655978,,,,0.0,,,,0.0,,,,,,,,,
COc1ccccc1NC(=O)C1C2C=CC(O2)C1C(=O)O,CID656278,,,,,,,,,,,,,,,,,0.0
CCCOC(=O)c1ccc(NC(=O)C2C3C=CC(O3)C2C(=O)O)cc1,CID3811533,,,0.0,,,,,,,,,,,,,,
COC(=O)c1ccc(NC(=O)C2C3C=CC(O3)C2C(=O)O)cc1,CID3237947,,,,,,,,,,,,,,,,,0.0
CCOC(=O)c1ccc(NC(=O)C2C3C=CC(O3)C2C(=O)O)cc1,CID2837866,,,,,,,0.0,,,,,,,,,,
CC(C)(C)OC(=O)N1CCCC1c1nnc(SCc2c(F)cccc2Cl)o1,CID665583,0.0,0.0,,,0.0,0.0,,,,,,,,,,,0.0
CC(C)(C)OC(=O)N1CCCC1c1nnc(SCc2ccccc2Cl)o1,CID665330,0.0,0.0,,,0.0,,0.0,,,,,,,,,,0.0
CC(C)(C)OC(=O)N1CCCC1c1nnc(SCc2ccccc2F)o1,CID664984,0.0,,,,0.0,,,0.0,,,,,0.0,,,,0.0
CC(C)(C)OC(=O)N1CCCC1c1nnc(SCc2c(Cl)cccc2Cl)o1,CID665686,0.0,0.0,,,0.0,,,,,0.0,,,,,,,
CC(C)(C)OC(=O)N1CCCC1c1nnc(SCc2ccc(Cl)cc2Cl)o1,CID665370,0.0,,,,0.0,,,,,,,,0.0,,,,
CCOC(=O)c1sc(NC(=O)c2ccco2)nc1-c1ccccc1,CID747391,0.0,0.0,,0.0,0.0,,0.0,0.0,,0.0,,,0.0,,,,0.0
CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(C)o3)n2)cc1,CID2441068,,,,,,,,,,0.0,0.0,,,,,,
COCCCN(C(=O)c1ccco1)c1nc(-c2cc(OC)ccc2OC)cs1,CID654679,,,0.0,,0.0,,,0.0,,0.0,0.0,,0.0,,,0.0,
CC(=O)c1sc(NC(=O)c2ccco2)nc1-c1ccccc1,CID3540515,0.0,,,,0.0,0.0,,,,,,,,,,,
O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(Br)o1,CID783442,0.0,,,,,,,,,,,,,0.0,,0.0,0.0
CC(Sc1nncs1)C(=O)NCc1ccc2c(c1)OCO2,CID2999404,0.0,0.0,,0.0,0.0,0.0,0.0,,,0.0,0.0,,0.0,,,,
O=C(CSc1nncs1)NCc1ccc2c(c1)OCO2,CID2525784,0.0,0.0,0.0,,0.0,,,,0.0,,,,,,,,
CCCC(=O)Nc1nnc(SCC(=O)NCc2ccc3c(c2)OCO3)s1,CID7191252,,,,,,,,,,,,,,0.0,0.0,,
Cc1nnc(SCC(=O)NCc2ccc3c(c2)OCO3)s1,CID2139613,0.0,,0.0,,0.0,,,,0.0,0.0,0.0,,0.0,0.0,,,
Nc1nnc(SCC(=O)NCc2ccc3c(c2)OCO3)s1,CID2222394,,,,0.0,,,,,,0.0,,,0.0,,,,
COc1ccccc1N1CCN(C(=O)c2sc3nc(-c4ccccc4)cn3c2C)CC1,CID3237973,0.0,,0.0,0.0,,,0.0,,,,,,,,,,
COc1ccc(-c2cn3c(C)c(C(=O)N4CCN(c5ccc(F)cc5)CC4)sc3n2)cc1,CID5310545,,0.0,0.0,,,,,,,,,,,,,,0.0
COc1ccc(-c2cn3c(C)c(C(=O)N4CCN(c5ccccc5)CC4)sc3n2)cc1,CID5310082,,,,,,,,0.0,,,,,0.0,,,,
Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)sc2nc(-c3ccccc3)cn12,CID3241564,0.0,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2cn3c(C)c(C(=O)N4CCN(c5ccccc5F)CC4)sc3n2)cc1,CID5310585,,,0.0,,,,,,,,,,,,,,
Cc1ccc(-c2cc(-c3ccc(C)o3)nc(N)c2C#N)cc1,CID661059,0.0,,,,,,0.0,0.0,,,,0.0,,,,,
Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(N)n2)o1,CID658940,0.0,,0.0,,,0.0,0.0,,,0.0,,,,,,0.0,0.0
Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(N)n2)o1,CID649080,0.0,,,,,,,,,,,0.0,,,,,
Cc1ccc(-c2cc(-c3ccccc3Cl)c(C#N)c(N)n2)o1,CID870501,0.0,,,0.0,,,,,,0.0,,,,,,0.0,0.0
CSc1nc(-c2ccco2)cc(-c2ccccc2)c1C#N,CID657930,0.0,0.0,,,,0.0,0.0,,,,0.0,,0.0,,,0.0,
Cc1n[nH]c(C)c1N1C(=O)c2cccc3cc(Br)cc(c23)C1=O,CID1221097,,,,,,,,,0.0,,,,,,,0.0,0.0
Cc1nn(C)c(C)c1N1C(=O)c2cccc3c(N)ccc(c23)C1=O,CID839988,,,,,,,,,,,,,,,0.0,,
CC(=O)c1ccc2c3c(cccc13)C(=O)N(c1c(C)nn(C)c1C)C2=O,CID649347,,,,,,,0.0,,,,0.0,,,0.0,,0.0,
Cc1n[nH]c(C)c1N1C(=O)c2cccc3c(Br)ccc(c23)C1=O,CID1108211,,,,,,,,,0.0,,0.0,,,,,,
Cc1nn(C)c(C)c1N1C(=O)c2cccc3c(Br)ccc(c23)C1=O,CID1108212,,,,,,,,,0.0,,,0.0,,,,,
COc1cccc(C(=O)c2cc3ccc(O)cc3oc2=O)c1,CID5771326,,,,0.0,,0.0,0.0,,,,,,,,,0.0,
COc1ccc2cc(C(=O)c3ccccc3)c(=O)oc2c1,CID342533,,,,,,0.0,,,0.0,,0.0,,,,,,
CCOc1ccc(C(=O)c2cc3ccc(O)cc3oc2=O)cc1,CID16194470,,,,,,,,,,,,,,,0.0,,
CCOc1ccc2cc(C(=O)c3ccccc3)c(=O)oc2c1,CID1583757,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(=O)c2cc3ccc(O)cc3oc2=O)cc1,CID9551622,,,,,,,,,,,0.0,,,,,,
COc1cccc(NC(=O)Nc2nnc(N3CCCCC3C)s2)c1,CID3457780,,,,,,,,,,,,,,,,0.0,
COC(=O)c1ccccc1NC(=O)Nc1nnc(N2CCCCC2C)s1,CID3457781,,0.0,,,,,,0.0,,,,,,,,,
COc1ccc(OC)c(NC(=O)Nc2nnc(N3CCC(C)CC3)s2)c1,CID4292590,,,,,,,0.0,,,,,,,0.0,,0.0,0.0
COc1ccc(NC(=O)Nc2nnc(N3CCCCC3C)s2)cc1OC,CID3457755,,,,,,,,,,,,,,,,0.0,
COc1ccc(NC(=O)Nc2nnc(N3CCC(C)CC3)s2)cc1OC,CID4292582,0.0,,,,,,0.0,,,,,,,,,,0.0
Clc1ccc(OCc2nn3c(-c4ccco4)nnc3s2)c(Cl)c1,CID662586,0.0,,,0.0,0.0,,,,,,,,,,,,
Cc1ccc(OCc2nn3c(-c4ccco4)nnc3s2)cc1,CID665743,0.0,0.0,,0.0,0.0,,0.0,,,,0.0,,,,,0.0,
COc1ccc(OCc2nn3c(-c4ccco4)nnc3s2)cc1,CID665474,0.0,0.0,,0.0,,,0.0,,,,,,0.0,0.0,,0.0,
c1ccc(OCc2nn3c(-c4ccco4)nnc3s2)cc1,CID662677,0.0,0.0,,0.0,,,,,,,,,,,,,
Clc1ccc(OCc2nn3c(-c4ccco4)nnc3s2)cc1,CID665682,0.0,0.0,0.0,,0.0,,,,,,0.0,,,,,0.0,0.0
COc1ccc2nc(NC(=O)c3ccoc3C)sc2c1,CID1245272,0.0,,0.0,0.0,0.0,,,,,,,0.0,0.0,,,,0.0
Cc1cc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c(C)o1,CID1247683,,,,,0.0,,,,0.0,0.0,0.0,,,,0.0,,
CCOc1ccc2nc(NC(=O)c3ccoc3C)sc2c1,CID887167,0.0,,,,0.0,,0.0,,,,,0.0,,,,,0.0
Cc1cc(C(=O)Nc2nc3c(C)cccc3s2)c(C)o1,CID2117332,,,,,,,,,,,,,,0.0,,,
COc1ccc2nc(NC(=O)c3cc(C)oc3C)sc2c1,CID831650,,,,,,,,,,,,0.0,,,0.0,,
CC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CCc1ccccc1,CID667066,0.0,0.0,0.0,,,,,0.0,,,,,,,,,0.0
Cn1c(=O)c2c(nc(CN3CCC(C(N)=O)CC3)n2CCc2ccccc2)n(C)c1=O,CID667258,,,,,,,,,,,0.0,,0.0,,,,
Cn1c(=O)c2c(nc(CN3CCCCC3)n2CCc2ccccc2)n(C)c1=O,CID662250,,0.0,,0.0,,0.0,,0.0,,,,,,,,,
CC1CCCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCc2ccccc2)C1,CID666871,0.0,0.0,,0.0,,,,,,,,,,,,,
CC1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCc2ccccc2)CC1,CID665979,0.0,,0.0,,,,,,,,,,,,,,
Cc1cccc(-n2nc3c(c2NC(=O)c2ccco2)CSC3)c1C,CID3245336,,0.0,,,0.0,,,0.0,,,,,0.0,,,,
Cc1cccc(-n2nc3c(c2NC(=O)c2ccc(Br)o2)CSC3)c1,CID3235687,,,,,,,0.0,,0.0,,,,,,,0.0,
Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(Br)o2)CSC3)c(C)c1,CID3241909,,,,,,,0.0,,0.0,,0.0,,,,,,0.0
Cc1ccccc1-n1nc2c(c1NC(=O)c1ccc(Br)o1)CSC2,CID3241356,,,,,,,,,0.0,,,,,,,0.0,0.0
Cc1cccc(-n2nc3c(c2NC(=O)c2ccc(Br)o2)CSC3)c1C,CID3243135,,,,,,,,,0.0,,,,,,,0.0,0.0
COc1cc(C2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OC(=O)N1CCOCC1,CID3244462,,,,,,,,,,,,,,,,,0.0
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C2c1ccc(OC(=O)N2CCOCC2)cc1,CID2907971,,,,,,,,0.0,,,,,,,,,
COc1cc(C2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OC(=O)N1CCOCC1,CID3239741,,,,,,,,0.0,,,,,,,,,
COc1cc(C2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(OC)c1OC(=O)N1CCOCC1,CID3244863,0.0,,,,,,,,,,,,0.0,,,,
N#CC1=C(N)OC2=C(C(=O)CCC2)C1c1ccc(OC(=O)N2CCOCC2)cc1,CID3239001,0.0,,,,,,,0.0,,,,,0.0,,,,
CC(C)Cc1cc(C(=O)Nc2cccnc2)no1,CID6621358,,,,,,,,,0.0,,,,,,,,
CCCc1cc(C(=O)Nc2cccnc2)no1,CID5307578,,0.0,,,,,,0.0,,,,,,,,,
CC(C)c1onc(C(=O)Nc2cccnc2Cl)c1[N+](=O)[O-],CID16188047,,,,,,,,,,,,,,,0.0,,
Cc1cc(C(=O)Nc2cccnc2)no1,CID866472,,0.0,,0.0,,,,0.0,0.0,,,,,,,,
CC(C)c1cc(C(=O)Nc2cccnc2)no1,CID3236077,,,0.0,0.0,,,,0.0,0.0,,,0.0,0.0,,,,0.0
Cc1ccc(C(=O)Nc2cc(C)c(OCC(=O)N3CCOCC3)c(C)c2)cc1,CID1313620,,,,,,,,,0.0,,,,,,,,
CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)cc1,CID2926629,,0.0,0.0,,0.0,0.0,,,,0.0,0.0,0.0,,,,0.0,0.0
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)cc1,CID2917766,,,,,,,,,,,0.0,,,,,,
COc1cc(C(=O)Nc2cc(C)c(OCC(=O)N3CCOCC3)c(C)c2)cc(OC)c1OC,CID2927222,,0.0,0.0,,,,,,0.0,,,,,,,,
CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)cc1,CID1277944,,,0.0,0.0,0.0,,,,,,0.0,,,,,0.0,0.0
COc1ccc(OC)c(NC2=c3ccccc3=NC2=O)c1,CID787753,,,,0.0,,,,,,0.0,,,0.0,,,,
N#Cc1ccccc1NC1=c2ccccc2=NC1=O,CID793157,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC2=c3cccc(C)c3=NC2=O)cc1,CID655849,,0.0,0.0,0.0,0.0,,,,,,,0.0,,,,,
CC(=O)c1cccc(NC2=c3ccccc3=NC2=O)c1,CID3236183,,,,0.0,0.0,,0.0,0.0,,,,0.0,,,,0.0,
COc1ccc(NC2=c3ccccc3=NC2=O)cc1,CID489554,,,,,,,,,,,,0.0,0.0,,,,
O=C(CSc1nccc(=O)[nH]1)c1ccccc1Br,CID2414928,,,,,,,,,,,,0.0,,,,,
COc1ccc(C(=O)CSc2nccc(=O)[nH]2)cc1,CID860103,,0.0,0.0,,,,0.0,,,0.0,,,,,,,
CCC(C)c1c(O)nc(SCC(=O)c2ccccc2)[nH]c1=O,CID2843982,,0.0,,0.0,0.0,0.0,0.0,,,,,,,,,0.0,
CCCCc1c(O)nc(SCC(=O)c2ccccc2)[nH]c1=O,CID659197,,,0.0,,0.0,,0.0,0.0,,0.0,,,,,,0.0,
Cc1ccc(C(=O)CSc2nc(O)cc(=O)[nH]2)c(C)c1,CID785001,,,,,,0.0,,,,,,,,,,,
CCCCCCCc1c(C)[nH]c(N2CCOCC2)nc1=O,CID2219912,,,,,,,,,0.0,,,,,,,,
CCc1c(C)[nH]c(N2CCOCC2)nc1=O,CID666814,,0.0,0.0,,,,,0.0,0.0,,,,0.0,,,,
Cc1cc(=O)nc(N2CCOCC2)[nH]1,CID97218,,,,,,,,,,,,,,,0.0,,
CCCCCc1c(C)[nH]c(N2CCOCC2)nc1=O,CID663540,,0.0,0.0,,,,,,0.0,,0.0,,,,,,
Cc1[nH]c(N2CCOCC2)nc(=O)c1CCC(C)C,CID705046,,0.0,,0.0,,,,0.0,0.0,,,,,,,,
Cn1c(=O)[nH]c(=O)c2c1nc1n2CCCN1CCc1ccccc1,CID665031,,,0.0,0.0,,,,,,,,,0.0,,,,
CC1CN(CCc2ccccc2)c2nc3c(c(=O)[nH]c(=O)n3C)n2C1,CID665576,,0.0,,,,0.0,,,,,,,,,,,
CCn1c(=O)c2c(nc3n2CCCN3CCc2ccccc2)n(C)c1=O,CID665414,,0.0,0.0,0.0,,,,0.0,,,,,,,,,
CCn1c(=O)c2c(nc3n2CC(C)CN3CCc2ccccc2)n(C)c1=O,CID665876,,,0.0,,,0.0,,,,,,,,,,,
CC(C)Cn1c(=O)c2c(nc3n2CCCN3CCc2ccccc2)n(C)c1=O,CID665461,0.0,,,,,,,,,,,,,,,,
CCn1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)c(C)n1,CID842311,,,,,,,,,,,,0.0,,0.0,,,
CCn1nc(C)c(/C=N/NC(=O)c2ccc3c(c2)OCO3)c1C,CID842200,,,,,,,,,,,,0.0,,,0.0,,
CCn1ncc(/C=N/NC(=O)c2ccc3c(c2)OCO3)c1C,CID842304,,,,,,0.0,,,,,,,,0.0,,,
Cc1c(/C=N/NC(=O)c2ccc3c(c2)OCO3)cnn1C,CID842298,,,,,,,,,,,,,,0.0,0.0,,
Cc1nn(C)cc1/C=N/NC(=O)c1ccc2c(c1)OCO2,CID842293,,,,,,,,,,,,,,0.0,0.0,,
CCOc1ccccc1NC1=NCC(=O)N1Cc1ccc(F)cc1,CID652503,,,,0.0,,,0.0,,,,,,,,,,
Cc1ccc(NC2=NCC(=O)N2Cc2ccccc2)c(C)c1,CID1454440,,,,,,,,,,,0.0,,,,,,
Cc1cc(C)cc(NC2=NCC(=O)N2Cc2ccccc2)c1,CID655768,,,,,,,,0.0,,,,,,,,,0.0
COc1ccccc1NC1=NCC(=O)N1Cc1ccccc1,CID648663,,,,,,,0.0,,,,,0.0,,,,,
CCc1ccccc1NC1=NCC(=O)N1Cc1ccccc1,CID655009,0.0,,,,,,,,,0.0,,,,,,,
COc1ccc(-n2nnc3c(=O)n(CC(=O)N4CCC(C)CC4)cnc32)cc1,CID5310295,,,,0.0,,,,,,,,,,,,,
Cc1ccc(-n2nnc3c(=O)n(CC(=O)N4CCC(C)CC4)cnc32)cc1,CID3240401,,0.0,,,,,0.0,,,,,,,,,,
COc1cccc(-n2nnc3c(=O)n(CC(=O)N4CCCCC4)cnc32)c1,CID3236710,,0.0,,0.0,,,,,,0.0,,,0.0,,,,
COc1cccc(-n2nnc3c(=O)n(CC(=O)N4CCC(C)CC4)cnc32)c1,CID3245281,,0.0,,,,,,,,,,,,,,,
COc1ccc(-n2nnc3c(=O)n(CC(=O)N4CCCCC4)cnc32)cc1,CID5310312,,,,,,,,,,,0.0,,,,,,
Cc1ccc2oc(Nc3nc(C)cc(C)n3)nc2c1,CID788269,,,,0.0,,,,0.0,,,,0.0,0.0,,,,
Cc1ccnc(Nc2nc3ccccc3o2)n1,CID945758,,0.0,0.0,,,,,0.0,0.0,,0.0,,0.0,,,,
CCCc1nc(Nc2nc3ccccc3o2)nc(C)c1C(=O)OCC,CID945443,,0.0,,0.0,,,,,,,,,0.0,,,,
Cc1nc(Nc2nc3ccccc3o2)nc(C)c1C,CID788273,,,,,,,,,,,,,,0.0,0.0,,
CCOC(=O)c1cnc(Nc2nc3ccccc3o2)nc1C,CID934269,,,,,,,,,0.0,,,,,0.0,,,
COc1ccccc1Nc1nc(N)nc(CN2CCCCCC2)n1,CID941892,,0.0,,,,,,,,0.0,,,0.0,,,0.0,
Nc1nc(CN2CCCCCC2)nc(Nc2ccccc2)n1,CID900594,,,,,,,,,,,,,,,0.0,,
Cc1ccc(Nc2nc(N)nc(CN3CCCCCC3)n2)cc1,CID900596,,,0.0,,,,,,,0.0,,,,,,,
Cc1ccc(Nc2nc(N)nc(CN3CCCCCC3)n2)c(C)c1,CID900591,,0.0,,0.0,,,,,,,,,,,,0.0,0.0
Nc1nc(CN2CCCCCC2)nc(Nc2ccc(F)cc2)n1,CID753517,,,,,,,,,,0.0,,0.0,,,0.0,,
Cc1ccc2cc(CN(C(=O)c3ccco3)c3ccccc3C)c(=O)[nH]c2c1,CID663087,0.0,,0.0,,,,,,0.0,0.0,0.0,,,0.0,,,0.0
Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccco2)c(C)c1,CID662829,0.0,0.0,,,,,,0.0,0.0,0.0,,0.0,,,,,
Cc1ccc2cc(CN(C(=O)c3ccco3)c3ccccc3)c(=O)[nH]c2c1,CID662245,,,0.0,,,,0.0,0.0,,0.0,,,,0.0,0.0,,0.0
COc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccco2)cc1,CID662188,,0.0,0.0,0.0,,,,0.0,0.0,0.0,0.0,,,,,,
Cc1cccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccco2)c1C,CID664706,,,,,,,0.0,0.0,0.0,0.0,,,,,,,0.0
Cc1ccc(-c2noc(-c3cccs3)n2)cc1,CID784811,,0.0,,,,0.0,0.0,,,,0.0,,,,0.0,0.0,
Cc1ccccc1-c1noc(-c2cccs2)n1,CID878991,,0.0,,,,,,,,,,,0.0,,0.0,0.0,
COc1cc(-c2noc(-c3cccs3)n2)cc(OC)c1OC,CID666832,,,,,,,0.0,,,,0.0,,,,,,
COc1cccc(-c2noc(-c3cccs3)n2)c1,CID665971,0.0,,,,,,,,,,,,0.0,,,0.0,
CCOc1ccc(Br)cc1-c1noc(-c2cccs2)n1,CID2982188,,,,,,,0.0,,0.0,,,,,,,,0.0
Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)CC1,CID3243479,0.0,,,,0.0,0.0,,,,,,,,,,,0.0
Cc1ccc(C)c(N2CCN(C(=O)c3ccc(NS(=O)(=O)c4c(C)noc4C)cc3)CC2)c1,CID3242862,,0.0,,,,0.0,,,,,,,,,,0.0,
Cc1noc(C)c1S(=O)(=O)Nc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1,CID9550273,,,,,,,,,,,,0.0,,,,,
Cc1cccc(N2CCN(C(=O)c3ccc(NS(=O)(=O)c4c(C)noc4C)cc3)CC2)c1C,CID3242247,,,,,,,,,,,0.0,,,,,,0.0
Cc1noc(C)c1S(=O)(=O)Nc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1,CID3237312,0.0,,0.0,0.0,0.0,0.0,,,,,,,,,,,
Cc1cccc(-n2c(=O)[nH]c3c(C(N)=O)nc(CC(C)C)nc32)c1,CID3243471,,,0.0,0.0,,0.0,,,,,,,,,,,
Cc1cccc(-n2c(=O)[nH]c3c(C(N)=O)nc(C(C)C)nc32)c1,CID3238018,,0.0,,0.0,,,,,,,,,,,,,
Cc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(CC(C)C)nc32)cc1,CID3242248,,,,0.0,,,,,,,,0.0,,,,,
COc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(CC(C)C)nc21,CID5310588,,,,,,0.0,,,,,,,0.0,,,,
CC(C)Cc1nc(C(N)=O)c2[nH]c(=O)n(-c3ccc(F)cc3)c2n1,CID5310314,,,,,,,,,,,0.0,,,,,,
COc1cc(CNc2ccc3[nH]c(=O)[nH]c3c2)ccc1OCC(=O)NC(C)(C)C,CID655834,0.0,,,,,,,,0.0,,0.0,,,,,0.0,0.0
COc1cc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc(Cl)c1OCC(=O)NC(C)(C)C,CID1017348,,,,,0.0,,0.0,,,,,,,,,0.0,
CCOc1cc(CNc2ccc3[nH]c(=O)[nH]c3c2)ccc1OCC(=O)NC(C)(C)C,CID1017333,,,,0.0,,,,,0.0,,0.0,,,,,,
C=CCOc1cccc(CNc2ccc3[nH]c(=O)[nH]c3c2)c1,CID2214033,,,,,,,,,,,,,,0.0,,,
CC(C)(C)NC(=O)COc1ccc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc1,CID1017369,,,,,,0.0,,,0.0,,,,,,,,
O=C(c1ccc(F)cc1)N1CCC(O)(c2cccnc2)CC1,CID648337,,,0.0,,,,,0.0,,,,,,,,,
O=C(c1ccccc1F)N1CCC(O)(c2cccnc2)CC1,CID645240,,0.0,,0.0,,,0.0,0.0,,,,,,,,,
O=C(c1ccccc1Cl)N1CCC(O)(c2cccnc2)CC1,CID1446483,,,,,,,,,,,,,,0.0,,,
O=C(c1c(F)cccc1F)N1CCC(O)(c2cccnc2)CC1,CID650334,,,,0.0,,,,,,,,,0.0,,,,0.0
O=C(c1ccccc1)N1CCC(O)(c2cccnc2)CC1,CID1446377,,,,,,,,,,,0.0,,,,,,
Cc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)OCCO4)c3ccccc3n2)cc1,CID1220296,,,,,,,,,,,,0.0,,0.0,,,
CCOc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)OCCO4)c3ccccc3n2)cc1,CID1219675,,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccc2c(c1)OCCO2)c1cc(-c2ccccc2)nc2ccccc12,CID1328988,,,,,,0.0,,,,,,0.0,,,,,
COc1cccc(-c2cc(C(=O)Nc3ccc4c(c3)OCCO4)c3ccccc3n2)c1,CID1221304,,,,,,,,,,,,0.0,,0.0,,,
Cc1cccc(-c2cc(C(=O)Nc3ccc4c(c3)OCCO4)c3ccccc3n2)c1,CID1013515,,,,,,0.0,,,,,,,,,,,
C/C(=C1/SC(N2CCOCC2)=NC1=O)c1ccc(Br)cc1,CID1368971,0.0,,,,,,,,0.0,,0.0,,,,,0.0,0.0
C/C(=C1\SC(N2CCOCC2)=NC1=O)c1ccc(C)cc1,CID660193,0.0,,,0.0,0.0,0.0,,,,,0.0,,,,,,
C/C(=C1\SC(N2CCOCC2)=NC1=O)c1ccccc1,CID885277,0.0,0.0,,0.0,0.0,,0.0,,,,0.0,,,,,,
C/C(=C1/SC(N2CC(C)OC(C)C2)=NC1=O)c1ccccc1,CID2936629,,,,,,0.0,0.0,0.0,,,,,,,,,
C/C(=C1/SC(N2CCOCC2)=NC1=O)c1ccc(Cl)cc1,CID659052,0.0,0.0,0.0,0.0,0.0,0.0,,,,0.0,,,,,0.0,,
COc1cccc(C2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccn4)c(=O)c32)c1OC,CID3236981,0.0,,,0.0,,,,0.0,0.0,,0.0,,,,,,0.0
COc1ccccc1C1C(C#N)=C(N)Oc2cc(C)n(Cc3ccccn3)c(=O)c21,CID661724,0.0,,0.0,,,,,0.0,,,0.0,,,,,0.0,0.0
CCOc1ccccc1C1C(C#N)=C(N)Oc2cc(C)n(Cc3ccccn3)c(=O)c21,CID661817,0.0,,0.0,,,,,,,,0.0,,,,,0.0,0.0
CCOc1cccc(C2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccn4)c(=O)c32)c1OCC,CID3237583,0.0,,,0.0,,0.0,,,,,,0.0,,,,,0.0
COc1ccc(OC)c(C2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccn4)c(=O)c32)c1,CID662004,0.0,,,,,,,0.0,0.0,,,,,,,0.0,0.0
CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1cccc(C)n1,CID645197,,,0.0,,0.0,,0.0,,,0.0,0.0,0.0,,,,,0.0
COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1cccc(C)n1,CID647657,,0.0,0.0,0.0,0.0,,,0.0,,,,,,,,,
COC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1cccc(C)n1,CID651489,,,,,,,,,,,,,0.0,,,,0.0
COC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1ccccn1,CID3105903,,0.0,,,,,,,,,,,,,,,0.0
COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1ccccn1,CID3103357,,,,,,,,,,0.0,,,,,,,
CC(C)(C)C(=O)Nc1ccccc1C(=O)OCC(=O)c1ccc2c(c1)OCCO2,CID2312864,,,,,,,,,,,,,,,0.0,,
CC(C)C(=O)Nc1ccccc1C(=O)OCC(=O)c1ccc2c(c1)OCCO2,CID2312860,,,,,,,,,,,,,,,0.0,,
CCCCC(=O)Nc1ccccc1C(=O)OCC(=O)c1ccc2c(c1)OCCO2,CID2313835,,,,,,,,,,,,,,0.0,0.0,,
NS(=O)(=O)c1cc(C(=O)OCC(=O)c2ccc3c(c2)OCCO3)ccc1Cl,CID3402344,,,,,,,,,,,,,,0.0,,,
CC(=O)Nc1ccccc1C(=O)OCC(=O)c1ccc2c(c1)OCCO2,CID2312799,,,,,,,,,,,,,,,0.0,,
COc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1OC,CID2417089,,,,,,,,,,,0.0,,,,,,
COc1ccccc1CNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1,CID2713328,0.0,0.0,0.0,0.0,0.0,,,0.0,,,0.0,,,0.0,,,
O=C(NCc1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cc1,CID1548296,,,,,,,,,,,,,,0.0,,,
COc1cccc(CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1,CID2570007,,,,,,,,,,,,,,0.0,,,
COc1cccc(CN(C)C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1OC,CID2481394,,,,0.0,0.0,,,,,0.0,,,,,,0.0,
O=C1NCC(COc2ccc(Cl)cc2)O1,CID328968,,,,,,,,,,,,,,0.0,,,
COc1ccc(OCC2CNC(=O)O2)cc1,CID650874,,0.0,,,,,,,,,,,0.0,,,,
CC(C)(C)N1CC(COc2ccccc2)OC1=O,CID550849,,,,,,,0.0,,0.0,,0.0,,,,0.0,,
CCCCN1CC(COc2ccccc2)OC1=O,CID536157,,,,,,0.0,,0.0,0.0,,,,,,,,
O=C1NCC(COc2ccc([N+](=O)[O-])cc2)O1,CID340061,,,,,,0.0,,,,,,,,,,,
CCc1nc2oc3cc(OC)ccc3c(=O)c2c(=O)n1Cc1ccccc1,CID1872714,,,,,,,,,0.0,,,,,,,,
CCc1nc2oc3ccccc3c(=O)c2c(=O)n1Cc1ccccc1,CID666407,0.0,,,,,,,,0.0,,,,0.0,0.0,,,0.0
COc1ccc(Cn2c(C)nc3oc4cc(OC)ccc4c(=O)c3c2=O)cc1,CID666452,,,,0.0,,,,0.0,,,,,,,0.0,,
Cc1nc2oc3ccccc3c(=O)c2c(=O)n1Cc1ccccc1,CID666795,,,0.0,,,,,0.0,,,0.0,,0.0,0.0,0.0,,
CCc1nc2oc3ccccc3c(=O)c2c(=O)n1Cc1ccc(OC)cc1,CID667297,,0.0,,0.0,,,,,0.0,0.0,,,,,,,
COc1ccccc1Oc1c(C)oc2c(CN3CCN(C)CC3)c(O)ccc2c1=O,CID5389800,,,,,,,,0.0,,,,,,,,,
COc1ccccc1Oc1c(C)oc2c(CN3CCN(CCO)CC3)c(O)ccc2c1=O,CID5389874,,,,0.0,,,,0.0,,,,,,,,,
CCOC(=O)c1ccc(Oc2c(C)oc3c(CN4CCN(C)CC4)c(O)ccc3c2=O)cc1,CID5389823,,,,0.0,,,,0.0,,,,,0.0,,,,
CCOc1ccccc1Oc1c(C)oc2c(CN3CCN(C)CC3)c(O)ccc2c1=O,CID5389748,,,,,,0.0,,,,,,0.0,,,,,
COC(=O)c1ccc(Oc2c(C)oc3c(CN4CCN(C)CC4)c(O)ccc3c2=O)cc1,CID5389744,,,,,,0.0,,,,0.0,,,0.0,,,,
O=C(Cc1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1,CID974132,,,,,,,,,,,,,,0.0,,,
O=C(Cc1c(F)cccc1Cl)N1CCN(C(=O)c2ccco2)CC1,CID1025636,,,,,,,0.0,,,,,,,,0.0,0.0,
CCC(C(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1,CID3158282,,,,,,0.0,,,,,,,,,,,
COc1ccc(CC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1,CID2218557,,,,,,,,,,,,,,0.0,0.0,,
O=C(Cc1ccccc1)N1CCN(C(=O)c2ccco2)CC1,CID776731,,,,,,,,,,,,0.0,,,0.0,,
N#Cc1nc(COc2ccc(Cl)cc2)oc1N1CCCCCC1,CID714054,,,0.0,,,,,,,,,,0.0,0.0,,0.0,0.0
N#Cc1nc(COc2ccccc2Cl)oc1N1CCCCCC1,CID714041,,0.0,,,,,,,,,,,0.0,0.0,,0.0,0.0
N#Cc1nc(COc2ccccc2F)oc1N1CCCCCC1,CID714044,,,,,,,,,,,,0.0,,,,,
N#Cc1nc(COc2ccc(Br)cc2)oc1N1CCCCCC1,CID1177318,0.0,,,,,,0.0,,,,0.0,,,,,,0.0
N#Cc1nc(COc2ccccc2)oc1N1CCCCCC1,CID714033,,,,,,0.0,,,,,0.0,,,,,,
Cc1ccc(Oc2cnn(-c3ccccc3)c(=O)c2Br)cc1,CID1477955,,,,,,,,,,,,,,,0.0,,
COC(=O)c1nn(-c2ccccc2)c(=O)cc1Oc1ccc(Cl)cc1,CID1478566,,,,,,0.0,,,,,,,,,,,
COC(=O)c1nn(-c2ccc(OC)cc2)c(=O)cc1Oc1cccc(Cl)c1,CID1473648,,,,,,0.0,,,,,,,,,,,
COC(=O)c1nn(-c2ccc(OC)cc2)c(=O)cc1Oc1ccccc1,CID3785886,,,,,,,,,,,,0.0,,,,,
COc1ccc(Oc2cnn(-c3ccccc3)c(=O)c2Br)cc1,CID1480667,,,,,,,,,,,,,,,0.0,,
CCC1CCc2c(sc3ncnc(N4CCOCC4)c23)C1,CID3000111,,0.0,,0.0,,,0.0,,,,,,,,,,0.0
CSc1nc(N2CCOCC2)c2c3c(sc2n1)CCCC3,CID2220408,0.0,,,0.0,0.0,,,,,,,,0.0,,,,
CC1CCc2sc3ncnc(N4CCOCC4)c3c2C1,CID661590,,0.0,,,,,,,,,,,0.0,,,,0.0
CC1CCc2c(sc3ncnc(N4CCOCC4)c23)C1,CID2790354,,,,,,,,,,,,,,,,,0.0
c1nc(N2CCOCC2)c2c3c(sc2n1)CCCC3,CID722483,,0.0,,0.0,,,0.0,,,0.0,,,,,,,0.0
CC(=O)CSc1nc(N)c(C#N)c(-c2cccs2)c1C#N,CID1773316,,,,,,,,,0.0,0.0,,,,,,,
CCCCSc1nc(N)c(C#N)c(-c2cccs2)c1C#N,CID660914,0.0,0.0,0.0,,0.0,,0.0,,0.0,0.0,,,,,,,
CCN(CC)C(=O)CSc1nc(C)cc(-c2cccs2)c1C#N,CID551775,,,,,0.0,,,,,,,,,0.0,,,
CCOC(=O)CSc1nc(N)c(C#N)c(-c2cccs2)c1C#N,CID2195706,,,,,0.0,,,,,,,,0.0,,,,
CC(C)OC(=O)CSc1nc(N)c(C#N)c(-c2cccs2)c1C#N,CID2197921,0.0,,0.0,0.0,0.0,0.0,0.0,,0.0,,,,,,,,
O=C(CCSc1nnc(-c2ccncc2)o1)Nc1cccc(Cl)c1,CID992130,,,,,,,,,,,,,,,0.0,,
O=C(CCSc1nnc(-c2ccncc2)o1)Nc1ccccc1,CID650858,0.0,0.0,,,0.0,,0.0,,0.0,,0.0,,,,,,0.0
O=C(CCSc1nnc(-c2ccncc2)o1)Nc1ccc(F)cc1,CID646421,,0.0,,0.0,0.0,,,,,0.0,,,0.0,,,0.0,
O=C(CCSc1nnc(-c2ccncc2)o1)Nc1ccc(Cl)cc1,CID650240,,,0.0,,0.0,,,,,,0.0,0.0,0.0,,,,
O=C(CCSc1nnc(-c2ccncc2)o1)Nc1ccccc1Cl,CID992129,,,,,,,,,,,0.0,,,,,,
CCOc1cc(-c2noc(-c3cccnc3)n2)ccc1OC,CID666674,0.0,,0.0,0.0,,,,0.0,,,,,,,0.0,,
CCOc1ccc(-c2noc(-c3cccnc3)n2)cc1OC,CID666153,,,0.0,,,,,,,,,,0.0,,,,
c1ccc(-c2noc(-c3cccnc3)n2)cc1,CID1122276,,,,,,,,,,,,,,,0.0,,
COc1cccc(-c2noc(-c3cccnc3)n2)c1,CID666412,0.0,0.0,0.0,0.0,,0.0,,,,,,,0.0,,0.0,,
COc1ccccc1-c1noc(-c2cccnc2)n1,CID666273,0.0,,,0.0,,,,0.0,,,,,,,,,0.0
O=C(CNS(=O)(=O)c1ccccc1)NCc1ccccn1,CID891903,,0.0,,,,,,0.0,0.0,,,,,,,0.0,
CCN(CC(=O)NCc1ccccn1)S(=O)(=O)c1ccc(Cl)cc1,CID2239622,,0.0,,0.0,0.0,,,,,,,0.0,,,,,0.0
CN(CC(=O)NCc1ccccn1)S(=O)(=O)c1ccccc1,CID890526,,,,,,,,,0.0,,,,,,,,
CN(CC(=O)NCc1ccccn1)S(=O)(=O)c1ccc(Cl)cc1,CID1073006,,0.0,0.0,,,,,,,,,,,,,,0.0
CN(CC(=O)NCc1ccccn1)S(=O)(=O)c1ccc(Br)cc1,CID1073019,,,,,,,,,,,,,,0.0,,,
Clc1ccc(Cl)c2sc(N3CCCC3)nc12,CID3238733,,,,,,,,,0.0,,,,,,,,
Clc1cccc2sc(N3CCCC3)nc12,CID3238736,,0.0,,,,,,,,,,,,,,,
COc1ccc(C)c2sc(N3CCCC3)nc12,CID3240926,,,,,0.0,,,,,,0.0,0.0,0.0,,,,0.0
Fc1cccc2sc(N3CCCC3)nc12,CID7110114,,,,,,,,,,,,,,0.0,,,
Clc1cc(Cl)c2nc(N3CCCC3)sc2c1,CID2739035,,0.0,,,,,,,,0.0,,,,,,,
Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccncc3)n2Cc2ccco2)c(C)c1,CID647732,0.0,,,,,,0.0,,,0.0,0.0,,,,,0.0,
O=C(CSc1nnc(-c2ccncc2)n1Cc1ccco1)Nc1ccccc1Cl,CID645011,0.0,0.0,0.0,,0.0,,,,,,0.0,0.0,,,,,0.0
Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccncc3)n2Cc2ccco2)c(Cl)c1,CID662702,,0.0,,,0.0,,,,,,,,,,,,0.0
Cc1cc(Cl)ccc1NC(=O)CSc1nnc(-c2ccncc2)n1Cc1ccco1,CID662687,,,0.0,,0.0,,,,,,0.0,0.0,,,,,
Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccncc2)n1Cc1ccco1,CID645900,0.0,,0.0,,,,0.0,,,,0.0,,0.0,,,0.0,
O=C(O)c1cccc(CSc2nnc(-c3ccco3)o2)c1,CID963517,,,,,,,,,0.0,,,0.0,,0.0,,,
O=[N+]([O-])c1ccc(CSc2nnc(-c3ccco3)o2)cc1,CID2869233,,,,,,0.0,,,,,,,,,,,
Brc1ccc(CSc2nnc(-c3ccco3)o2)cc1,CID692344,,,,,,,,,,,,,,0.0,,,
O=C(O)c1ccc(CSc2nnc(-c3ccco3)o2)cc1,CID726012,,,,,,,0.0,,0.0,,,,0.0,,,,
CC(=O)c1c(C)cc(C)c(CSc2nnc(-c3ccco3)o2)c1C,CID600149,,,0.0,,,,,0.0,,,0.0,,,0.0,,,0.0
CCC(=O)c1ccc(OC(=O)c2cccs2)cc1,CID811700,,,,,,,,,0.0,0.0,,,,,,,
COc1cc(/C=N/NC(=O)C(N)=O)ccc1OC(=O)c1cccs1,CID2369173,,,,,,,,,,,,,,0.0,,,
CC(=O)c1ccc(OC(=O)c2cccs2)cc1,CID766060,,0.0,,,,,,,,,,,,0.0,,,
CC(=O)Nc1ccc(OC(=O)c2cccs2)cc1,CID128894,,,0.0,0.0,0.0,,,,,,,,,,,,
CCCc1ccc(OC(=O)c2cccs2)cc1,CID734131,,,,,,,,,,0.0,,,,0.0,,,
CCCc1cc(C(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)no1,CID5309829,0.0,,,0.0,,,0.0,,,,,,0.0,,,,
CC(C)Cc1cc(C(=O)Nc2sc3c(c2C#N)CCCC3)no1,CID5308330,0.0,0.0,,,,,,,,0.0,,,,,,0.0,
Cc1cc(C(=O)Nc2sc3c(c2C#N)CCCC3)no1,CID3239681,0.0,0.0,0.0,0.0,,,,,,0.0,0.0,,,,,0.0,0.0
Cc1cc(C(=O)Nc2sc3c(c2C#N)CCC(C)C3)no1,CID2971259,0.0,0.0,,0.0,0.0,,,0.0,,,0.0,,,,,0.0,0.0
Cc1cc(C(=O)Nc2sc3c(c2C#N)CCC(C(C)(C)C)C3)no1,CID3243783,,,,,0.0,,,0.0,,,,,,,,,
COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3ccc(C(=O)O)cc3)oc12,CID4065193,,,,,,0.0,,,,,,0.0,,,,,
COc1ccc(/N=c2\oc3c(OC)cccc3cc2C(=O)NCc2ccco2)c(OC)c1,CID654937,,,0.0,,,0.0,,0.0,0.0,,,,,,,,
COc1ccc(/N=c2\oc3c(OC)cccc3cc2C(=O)NCc2ccco2)cc1OC,CID646458,,,,,,,,0.0,0.0,0.0,,,,,,,0.0
COc1ccccc1/N=c1\oc2c(OC)cccc2cc1C(=O)NCc1ccco1,CID650979,0.0,,,0.0,,0.0,,,0.0,0.0,,,0.0,,,,
COc1ccc(OC)c(/N=c2\oc3c(OC)cccc3cc2C(=O)NCc2ccco2)c1,CID652447,,,0.0,,,,,0.0,,,,,,,,,
CC1(C)Cc2c(sc3ncnc(N)c23)CO1,CID650805,,,,0.0,,,,,,,,,,,,,
CN(C)CCSc1nc(N)c2c3c(sc2n1)COC(C)(C)C3,CID663480,,,,,,,,,,0.0,,,,,,,
C=CCNC(=S)NNc1ncnc2sc3c(c12)CC(C)(C)OC3,CID1861403,,,,,,,,,,,,0.0,,,,,
CCCC1Cc2c(sc3nc(SC)nc(N)c23)CO1,CID661569,0.0,,,,,,,,,,0.0,,,,,,
CCCC1Cc2c(sc3ncnc(N)c23)CO1,CID661660,,,,,,,0.0,,,,,,0.0,,,,
Cc1ccc2c(c1)nnn2C1CCN(S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1,CID650808,,,0.0,0.0,0.0,,,,,,0.0,,0.0,,,0.0,0.0
COC(=O)c1cccc(S(=O)(=O)N2CCC(n3nnc4cc(F)ccc43)CC2)c1,CID653103,,,,,0.0,,,0.0,,,,,,,,,
CC(=O)c1cccc(S(=O)(=O)N2CCC(n3nnc4cc(F)ccc43)CC2)c1,CID653575,0.0,,,,0.0,,0.0,0.0,,,,,0.0,,,,
Cc1ccc2c(c1)nnn2C1CCN(S(=O)(=O)c2ccc(C(=O)N(C)C)cc2)CC1,CID656159,0.0,0.0,,,,,0.0,,,,,,,,,,
Cc1ccc(S(=O)(=O)N2CCC(n3nnc4cc(C)ccc43)CC2)cc1,CID1469687,,,,,,,,,,,0.0,,,,,,
COc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCC2CCCO2)c2ccccc2)cc1,CID649466,,,0.0,,0.0,,,,0.0,,,,,,,,
COc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCC2CCCO2)c2ccccc2C)cc1,CID648647,,,,,0.0,,0.0,,,,0.0,,,,,,0.0
COc1ccccc1N(CC(=O)NCC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(C)cc1,CID3206948,,,,,,,,,0.0,0.0,,,,,,,
COc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCC2CCCO2)c2c(C)cccc2C)cc1,CID653960,,,,,0.0,,0.0,0.0,0.0,,,,0.0,,,,0.0
COc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCC2CCCO2)c2cc(C)ccc2C)cc1,CID644685,,,0.0,,0.0,,,0.0,0.0,,,,,,0.0,,0.0
COc1ccc(CN2CCn3ncc(C(=O)Nc4cccc(C)c4)c3C2=O)cc1,CID1474585,,,,,,,,,,0.0,,0.0,,,,,
COc1ccc(CN2CCn3ncc(C(=O)Nc4ccccc4)c3C2=O)cc1,CID1474584,,,,,,,,,,,0.0,,,,0.0,,
COc1ccc(CN2CCn3ncc(C(=O)Nc4cc(C)cc(C)c4)c3C2=O)cc1,CID1474583,,,,,,,,,,,,,,,0.0,,
COc1ccc(CN2CCn3ncc(C(=O)Nc4ccc(Cl)cc4Cl)c3C2=O)cc1,CID1474582,,,,,,,,,,,,0.0,,,,,
Cc1c(C(=O)O)oc2c1C(=O)CC(C)(C)C2,CID2770986,,,,,,,,,,,,,,0.0,,,
COC(=O)c1oc2c(c1C)C(=O)CC(C)(C)C2,CID2770985,,,,,,,,,,,,,,0.0,,,
CCNC(=O)c1oc2c(c1C)C(=O)CC(C)(C)C2,CID972463,,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1oc2c(c1C)C(=O)CCC2,CID753911,,,,,,,,,,,,,,0.0,,,
CC(NCCC1=CCCCC1)=C1C(=O)NC(=O)NC1=O,CID5389547,,,,,,,,0.0,,,0.0,,,,,,
C=CCN1C(=O)NC(=O)/C(=C(/C)NCCC2=CCCCC2)C1=O,CID6860699,,,,,,,,,,0.0,,,,,,,
CCC(NCCC1=CCCCC1)=C1C(=O)NC(=O)NC1=O,CID5389577,,0.0,,,,,,,,,,,,,,,
CC(NCCC1=CCCCC1)=C1C(=O)N(C)C(=O)N(C)C1=O,CID5389576,,,,,,,0.0,0.0,,,,,,,,,
Cc1cccc(Cn2c(CN3CCN(Cc4ccccc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)c1,CID4905527,,0.0,,0.0,,,,,,,,,,,,,
Cn1c(=O)c2c(nc(CN3CCN(Cc4ccccc4)CC3)n2Cc2ccccc2)n(C)c1=O,CID2990241,,,,,,,,,,0.0,,,,,,0.0,
Cn1c(=O)c2c(nc(CN3CCN(Cc4ccccc4)CC3)n2Cc2cccc(Cl)c2)n(C)c1=O,CID4890211,,,,,,,,,,,,,,,,0.0,
Cn1c(=O)c2c(nc(CN3CCN(Cc4ccccc4)CC3)n2Cc2ccc(Cl)cc2)n(C)c1=O,CID3687766,,,,,,,,,,,,0.0,,,,,
COc1ccccc1N1CCN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1,CID3241425,,,,0.0,0.0,,0.0,,,,0.0,,,,,0.0,0.0
O=C1CCc2cc(S(=O)(=O)NCCC(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc2N1,CID3242640,0.0,,,,0.0,,,,0.0,,,,,,,,
COc1ccc(N2CCN(C(=O)CCNS(=O)(=O)c3ccc4c(c3)CCC(=O)N4)CC2)cc1,CID3240670,,,,,0.0,,,,,,0.0,,0.0,,,0.0,
Cc1cccc(N2CCN(C(=O)CCNS(=O)(=O)c3ccc4c(c3)CCC(=O)N4)CC2)c1C,CID3241550,,,,,0.0,,,,,,,,,,,,0.0
CCNc1nc(N)nc(Oc2ccc(OCc3ccccc3)nn2)n1,CID2968970,,,,,,,,,,,0.0,,,,,,
CC(C)Nc1nc(NC(C)C)nc(Oc2ccc(OCc3ccccc3)nn2)n1,CID2915483,,,,,,,,,0.0,,,,,,0.0,,
CCNc1nc(NC(C)C)nc(Oc2ccc(OCc3ccccc3)nn2)n1,CID3149151,,,,,,,,,,0.0,0.0,,,,,,
COc1nc(NCC(C)C)nc(Oc2ccc(OCc3ccccc3)nn2)n1,CID2950623,,0.0,,,,,,,,,,0.0,,,,,
O=S(=O)(NC1c2cccc3cccc(c23)C1N1CCNCC1)c1ccc(Cl)cc1,CID2898267,,,,,,,,,,,,,,,0.0,,
CC(=O)N1CCN(C2c3cccc4cccc(c34)C2NS(=O)(=O)c2ccccc2)CC1,CID660189,0.0,,0.0,0.0,,,0.0,0.0,,,,,,,,,
O=S(=O)(NC1c2cccc3cccc(c23)C1N1CCNCC1)c1ccccc1,CID2898054,,,,0.0,,,,0.0,,,,,,,,,
O=S(=O)(NC1c2cccc3cccc(c23)C1N1CCN(CCO)CC1)c1ccccc1,CID654682,,0.0,,,0.0,,,,,,,,,,,,
CCCn1nc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c2ccccc2c1=O,CID2161691,,,,,,,,,0.0,,,,,,,0.0,0.0
CC(C)n1nc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c2ccccc2c1=O,CID2107799,,,,,,,,,0.0,,0.0,,,,,,
CCn1nc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c2ccccc2c1=O,CID2161709,,0.0,,,,,,,0.0,,,,0.0,,,,
COc1ccc(CCNC(=O)c2n[nH]c(=O)c3ccccc23)cc1,CID2089484,,,,,,,,,0.0,,,,,,,,
COC(=O)c1cc(NC(=O)CSc2nnc(CN3CCOCC3)n2C)ccc1Cl,CID1088681,0.0,,,0.0,0.0,,,,0.0,,0.0,,0.0,,,,0.0
Cc1cc(C)cc(NC(=O)CSc2nnc(CN3CCOCC3)n2C)c1,CID4908818,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC(=O)CSc2nnc(CN3CCOCC3)n2C)cc1C,CID1211193,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1cc(NC(=O)CSc2nnc(CN3CCOCC3)n2C)ccc1Cl,CID1211194,,,,,,,,,0.0,,0.0,0.0,,,,,
COC(=O)c1nc(NC(=O)c2ccccc2Cl)n[nH]1,CID2314691,,,,,,,,,,,,,,,1.0,,
COC(=O)c1nc(NC(=O)c2ccc(Br)cc2)n[nH]1,CID2316100,,,,,,,,,0.0,,,0.0,,0.0,,,
COC(=O)c1nc(NC(=O)c2ccc(Cl)cc2)n[nH]1,CID2314714,,0.0,0.0,,,,0.0,,,,,,0.0,,,0.0,
COC(=O)c1nc(NC(=O)c2ccccc2)n[nH]1,CID2314281,,,,,,,,,0.0,,,,,0.0,,,
NC(=O)c1cc(-c2ccccc2)nc(N2CCCCCC2)n1,CID661111,0.0,0.0,,0.0,,,,,,,0.0,0.0,,,0.0,,
COc1ccc(-c2cc(C(F)(F)F)nc(N3CCCCCC3)n2)cc1,CID3240205,,,,,0.0,,,,,,,,,,,,
COc1ccc(-c2cc(C(N)=O)nc(N3CCCCCC3)n2)cc1,CID664371,0.0,0.0,0.0,,,,,,,,0.0,0.0,0.0,,0.0,,
FC(F)(F)c1cc(-c2ccccc2)nc(N2CCCCCC2)n1,CID756537,,,,,0.0,,,,,,,,,0.0,,,0.0
COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCCC3)CC2)cc1OC,CID650255,,,,,0.0,,,0.0,,0.0,0.0,,0.0,,,,
NC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1,CID1084370,,0.0,,,,,,,,,,,0.0,,,0.0,
COC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(C)CC3)CC2)cc1,CID3518695,,,,,,,,,,,,,,,0.0,,
COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCCC3)CC2)cc1Cl,CID1093372,,,,,,,,,,0.0,,,,0.0,,,
CCC(c1nnnn1Cc1ccco1)N(CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O,CID653784,,,,,,,,,,,0.0,,0.0,,,,
COc1ccc2cc(CN(CCc3ccccc3)Cc3nnnn3Cc3ccco3)c(=O)[nH]c2c1,CID645429,,,,,,,0.0,,,,,0.0,,,,,0.0
CCC(c1nnnn1Cc1ccco1)N(CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O,CID650011,,,,,,,,,,,,,0.0,,,,
CCC(c1nnnn1Cc1ccco1)N(CCc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O,CID654622,0.0,,,,,,,,,0.0,,,,,,,
CCOC(=O)CNC(=O)CN1C(=O)CCSc2ccccc21,CID3243660,,,,0.0,,,,,,,,,,,,,
CCOC(=O)CN1C(=O)CCSc2ccc(Cl)cc21,CID2767692,,,,,,,,,,,,,,0.0,,,
CC1(C)CC(=O)N(CC(=O)O)c2ccccc2S1,CID2728645,,,0.0,,,,0.0,0.0,0.0,,,,,,0.0,,
COC(=O)CN1C(=O)CC(C)(C)Sc2ccccc21,CID3665009,,,0.0,,,,,,0.0,,,,,,,,
O=S(=O)(NCc1cccnc1)c1cccs1,CID671065,,,0.0,,,,,,,,,,,,,,
Cc1ccc(S(=O)(=O)NCc2cccnc2)s1,CID2090986,,,,,,,,,,0.0,,,,,,,
O=S(=O)(NCc1cccnc1)c1ccc(Cl)s1,CID2104199,,,,,,,,,0.0,,,,,,0.0,,
O=S(=O)(NCc1cccnc1)c1ccc(Br)s1,CID662666,,,,,,,,,0.0,,,,,,,0.0,
O=C(CS(=O)(=O)c1ccccc1)Nc1nc(-c2ccc(F)cc2)cs1,CID5023518,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)CC(=O)Nc2nc(-c3ccccc3)cs2)cc1,CID3741724,,,,,,,,,,,,,,,0.0,,
O=C(CS(=O)(=O)c1ccccc1)Nc1nc(-c2ccccc2)cs1,CID2224305,,,,,0.0,,,,0.0,0.0,0.0,,,0.0,,,0.0
Cc1cccc(S(=O)(=O)CC(=O)Nc2nc(-c3ccccc3)cs2)c1,CID3743828,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(S(=O)(=O)NCC(=O)N(C)Cc2cccnc2)cc1,CID2461252,,,,,,,,,0.0,,,0.0,,,,,
COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2cccnc2)cc1C,CID2980950,,,0.0,0.0,,,0.0,0.0,0.0,,,,,,,,
COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2cccnc2)cc1,CID651842,,0.0,,,,,0.0,0.0,,,,,,,0.0,,0.0
COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2cccnc2)cc1OC,CID1085432,,,,,,,,,0.0,,,,,0.0,,,
CCOC(=O)CN(C(=O)CSc1nnc2c(n1)[nH]c1ccc(F)cc12)c1ccccc1,CID5770181,,,,,,,,,,,,,,0.0,0.0,,
CCOC(=O)CN(C(=O)CSc1nnc2c(n1)[nH]c1ccccc12)c1ccccc1,CID6398916,,,0.0,,,,,0.0,,,,,,,,,
CCOC(=O)CN(C(=O)CSc1nnc2c(n1)[nH]c1ccc(OC)cc12)c1ccc(F)cc1,CID5770453,,0.0,,,,,,,,,,,,,,,
CCOC(=O)CN(C(=O)CSc1nnc2c(n1)[nH]c1c(C)cc(C)cc12)c1ccccc1,CID6411045,,,,,,,,,,,,,,,0.0,,
COc1ccc2cc3cc(C(=O)N4CCN(c5ccccc5)CC4)oc3nc2c1,CID9550357,,,,,,,,,,0.0,,,,,,,
COc1ccc2nc3oc(C(=O)N4CCN(c5cccc(Cl)c5)CC4)cc3cc2c1,CID3243122,0.0,,,0.0,0.0,,,,,,,,,,,,0.0
COc1ccc2nc3oc(C(=O)N4CCN(c5ccccc5F)CC4)cc3cc2c1,CID3245575,,,,0.0,,,,0.0,,,,,,,,,
COc1ccc2nc3oc(C(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)cc3cc2c1,CID3238729,,,,,0.0,,,,,,,,,,,,0.0
Cc1ccc2[nH]c3c(NCCCN4CCCC4=O)ncnc3c2c1,CID664193,,0.0,0.0,0.0,,,,,,,,,,,,,
O=C1CCCN1CCCNc1ncnc2c1[nH]c1ccccc12,CID663928,,0.0,,0.0,,0.0,,,,,,0.0,0.0,,,,
O=C1CCCN1CCCNc1ncnc2c1[nH]c1ccc(Cl)cc12,CID664992,0.0,,0.0,,,,0.0,,,,,,,,,0.0,
COc1ccc2[nH]c3c(NCCCN4CCCC4=O)ncnc3c2c1,CID2022681,,,,,,0.0,,,,0.0,,,,,,,
Cc1cc2oc(C(=O)NCc3ccncc3)c(C)c2cc1C,CID975422,0.0,,,,0.0,,0.0,,,0.0,,,,0.0,,0.0,0.0
CCc1ccc2oc(C(=O)NCc3ccncc3)c(C)c2c1,CID852715,,,,,,,,,,0.0,,0.0,,0.0,,,
Cc1c(C(=O)NC(C)c2ccncc2)oc2ccccc12,CID2971285,,,,,0.0,,,,,0.0,0.0,,0.0,,,,
Cc1cc(C)c2c(C)c(C(=O)NCc3ccncc3)oc2c1,CID852704,,,,,,,,,,0.0,,,,0.0,,,
Cc1nc(N2CCN(c3ccccc3)CC2)nc2c1C(=O)CCC2,CID667284,,0.0,,,,,,,,,,,,,,,
CC1(C)CC(=O)c2cnc(N3CCN(c4ccccc4)CC3)nc2C1,CID665471,,0.0,,,,,,,,,0.0,,,,,,
O=C1CCCc2nc(N3CCN(c4ccccc4)CC3)ncc21,CID666389,,0.0,,0.0,,,,,,,,,,0.0,0.0,,
Cc1nc(N2CCN(c3ccccc3)CC2)nc2c1C(=O)CC(C)C2,CID667243,,,,0.0,,0.0,,0.0,,,,,,,,,
COc1cc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)ccc1O,CID662511,,,,,,,0.0,,,,,,,,,,
COc1ccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)cc1OC,CID661914,,,,,,,,0.0,0.0,,,,0.0,,,,
COc1cc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)cc(Br)c1O,CID665729,0.0,,,,,,,,,,,,,,,0.0,
COc1cc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)cc(Br)c1O,CID663056,0.0,,,,,,,,,,0.0,0.0,,,,,0.0
CCOc1ccc(-c2nc3n(c(=O)c2C#N)CCCS3)cc1,CID2237723,,0.0,,0.0,,,0.0,0.0,0.0,,0.0,0.0,0.0,,,,
N#Cc1c(-c2ccc(Br)cc2)nc2n(c1=O)CCCS2,CID2229205,,,,,,,,,0.0,,,,,0.0,,,
COc1ccc(-c2nc3n(c(=O)c2C#N)CCCS3)cc1,CID3236202,,0.0,,,,,0.0,,,0.0,0.0,0.0,,,,,0.0
N#Cc1c(-c2ccc(Cl)cc2)nc2n(c1=O)CCCS2,CID749988,,,,,,0.0,,,,0.0,,,,,0.0,,
Cc1ccc(OCc2nc(-c3ccccn3)n[nH]2)cc1,CID2501103,,,,,,,,,,0.0,,,,,0.0,,
Cc1cccc(OCc2nc(-c3ccccn3)n[nH]2)c1,CID2501099,,,,,,,,,,,0.0,,,,,,
Brc1ccc(OCc2nc(-c3ccccn3)n[nH]2)cc1,CID918318,,,,,,,,,0.0,,0.0,0.0,,,,,
Clc1ccc(OCc2nc(-c3ccccn3)n[nH]2)cc1,CID2108987,0.0,,,0.0,,,0.0,,,,,,0.0,,0.0,0.0,0.0
COc1ccccc1CN1C(=O)CCC1(C)C(=O)NC1CCCCCC1,CID3235928,,,,,0.0,,,0.0,0.0,0.0,,,,,,,0.0
COc1ccc(CN2C(=O)CCC2(C)C(=O)NC2CCCCCC2)cc1,CID3242227,,,,,0.0,,,,0.0,,,,,,,,0.0
COc1cccc(CN2C(=O)CCC2(C)C(=O)NC2CCCCCC2)c1,CID3240811,0.0,,0.0,,0.0,0.0,,,0.0,,,0.0,,,,,0.0
COc1ccc(OC)c(CN2C(=O)CCC2(C)C(=O)NC2CCCCCC2)c1,CID3240126,0.0,,0.0,,0.0,,,0.0,0.0,0.0,,,,,,,
CCOC(=O)C1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(N(C)C)cc1,CID2285512,,,,,,,,,,,,,,0.0,,,
COc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(OC)c1OC,CID5349418,,,,,,0.0,,,,,,,,,,,
COC(=O)COc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1,CID5348670,,,,,,0.0,,,,,,,,,,,
CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1N(C)C,CID5342973,,,,,,0.0,,,,,,,,,,,
Nc1cccc(-n2nncc2-c2ccccc2)c1,CID747476,,0.0,,,,,,,,,,0.0,0.0,,,,
Nc1ccc(-n2nncc2-c2ccccc2)cc1,CID781345,,,,,,,,,,,,0.0,,,,,
COc1ccc(-c2cnnn2-c2ccc(N)cc2)cc1OC,CID3241946,,,,0.0,,,,0.0,,,,0.0,,,,,
Nc1cccc(-n2nncc2-c2ccc(Cl)cc2)c1,CID2360931,,,0.0,,,,0.0,,,,,,0.0,,0.0,0.0,0.0
CCN1C(=O)C(O)(C2COC(C)(C)CC2=O)c2ccccc21,CID2880236,,,,,,,,,,,0.0,,,,,,
CN1C(=O)C(O)(C2COC(C)(C)CC2=O)c2cc(Br)ccc21,CID2967140,0.0,,,,,,0.0,,0.0,,,,,,,,0.0
CCN1C(=O)C(O)(C2COC(C)(C)CC2=O)c2cc(Br)ccc21,CID2973863,,,,,,,,,0.0,,,,,,,,0.0
CN1C(=O)C(O)(C2COC(C)(C)CC2=O)c2ccccc21,CID2871812,,,,,,,,0.0,,,,,,,,,
CCOc1ccc(N(CC(=O)NC2CCCCC2)S(=O)(=O)c2c(C)noc2C)cc1,CID5307550,,0.0,0.0,,,,,0.0,,,,,,,,0.0,
CCOc1ccc(N(CC(=O)NC2CCCC(C)C2C)S(=O)(=O)c2c(C)noc2C)cc1,CID5309294,,0.0,,,,,,,,,,,0.0,,,,0.0
Cc1cc(C)cc(N(CC(=O)NC2CCC(C)CC2)S(=O)(=O)c2c(C)noc2C)c1,CID5308354,,,0.0,,,,,,,,,,,,,,
CCc1ccc(N(CC(=O)NC2CCCCC2)S(=O)(=O)c2c(C)noc2C)cc1,CID4621413,,,,,0.0,0.0,,0.0,,0.0,,,,,,0.0,
Nc1nnc(CCS(=O)(=O)c2ccc(Cl)cc2)s1,CID749915,,,,,,,,,0.0,,,,,,,,
Cc1ccc(S(=O)(=O)CCc2nnc(N)s2)cc1C,CID742485,,,,,,,,,,0.0,,,,,,,
Cc1ccc(S(=O)(=O)CCc2nnc(NC(=O)CCl)s2)cc1C,CID3127833,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)CCc2nnc(N)s2)cc1,CID749781,,,,,,,,,0.0,0.0,0.0,,,,,,
Cc1ccccc1N/N=C/c1ccc(N2CCOCC2)cc1,CID626421,,,,,,0.0,,,,,,,,,0.0,,
Cc1ccc(N/N=C/c2ccc(N3CCOCC3)cc2)cc1C,CID3097979,,,,,,,,,,,,0.0,,,,,
Clc1cccc(N/N=C/c2ccc(N3CCOCC3)cc2)c1,CID2859393,,,,,,0.0,,,,,,,,,,,
C(=N/Nc1ccccc1)\c1ccc(N2CCOCC2)cc1,CID2851608,,,,,,,,,,,,0.0,,,,,
CCCc1nc2n[nH]c(N)c2c2c1CCCC2,CID658209,,,,0.0,,0.0,,,,0.0,,,,,,,
CCc1nc2n[nH]c(N)c2c2c1CCCC2,CID660145,,,,0.0,,,,,,,,,,,,,
CC(C)c1nc2n[nH]c(N)c2c2c1CCCC2,CID658108,,,,0.0,,,,0.0,,,,,,,0.0,,
CCCCc1nc2n[nH]c(N)c2c2c1CCCC2,CID658214,,,,0.0,,,0.0,,,,,0.0,,,0.0,,
COC(=O)c1c(C(=O)OC)c(-c2cccc(Cl)c2)n2c1CS(=O)C2,CID1472037,,,,,,,,,,,,,,0.0,,,
COC(=O)c1c(C(=O)OC)c(-c2ccc(C)cc2)n2c1CS(=O)C2,CID1472035,,,,,,0.0,,,0.0,,,,,,,,
COC(=O)c1c(C(=O)OC)c(-c2ccccc2)n2c1CS(=O)C2,CID1488425,,,,,,,,,0.0,,,,,,,,
COC(=O)c1c(C(=O)OC)c(-c2ccc(C(C)(C)C)cc2)n2c1CS(=O)C2,CID1472039,,,,,,,,,,,,,,,0.0,,
Cc1cccc(-n2c(CCN3C(=O)c4ccccc4C3=O)nc3ccccc3c2=O)n1,CID1365909,,0.0,,,,,0.0,,,0.0,,0.0,,,,,
Cc1cccnc1-n1c(CCN2C(=O)c3ccccc3C2=O)nc2ccccc2c1=O,CID1366681,0.0,,,,,,,,,,,0.0,,,,,
O=C1c2ccccc2C(=O)N1CCc1nc2ccccc2c(=O)n1-c1ccccn1,CID1366110,,,,,,,,0.0,,,0.0,,,,,,
Cc1ccnc(-n2c(CCN3C(=O)c4ccccc4C3=O)nc3ccccc3c2=O)c1,CID1069562,,,0.0,,,,,,,,0.0,0.0,0.0,,,,
CC1=C(C(=O)Nc2ccc(F)cc2)C(c2ccc(C)o2)C2=C(CC(C)(C)CC2=O)N1,CID2949258,,,,0.0,,,0.0,,,,,,,,,,0.0
CC1=C(C(=O)Nc2ccccc2C)C(c2ccc(C)o2)C2=C(CCCC2=O)N1,CID651809,0.0,0.0,,,,,0.0,,,,,,,,,,0.0
CC1=C(C(=O)Nc2ccc(C)cc2)C(c2ccc(C)o2)C2=C(CC(C)(C)CC2=O)N1,CID2949152,,,0.0,,,,,0.0,0.0,0.0,,,,,,,0.0
COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1ccc(C)o1,CID654640,,,,,,,,,0.0,,,,,,,,0.0
O=C(Cn1nnc(-c2ccccc2NC(=O)c2ccccc2)n1)Nc1ccc2c(c1)OCCO2,CID3192796,,,,,,,,,,,,0.0,,,,,
COc1ccc(C(=O)Nc2ccccc2-c2nnn(CC(=O)Nc3ccc4c(c3)OCCO4)n2)cc1,CID3192791,,,,,,,,,,,,0.0,,,,,
Cc1ccccc1C(=O)Nc1ccccc1-c1nnn(CC(=O)Nc2ccc3c(c2)OCCO3)n1,CID3192795,,,,,,,,,,,,0.0,,,,,
Cc1cccc(C(=O)Nc2ccccc2-c2nnn(CC(=O)Nc3ccc4c(c3)OCCO4)n2)c1,CID3192794,,,,,,,,,,,,0.0,,,0.0,,
CCn1c(SCC(=O)N2CCCCC2)nnc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1,CID650593,,,,,,,,,,0.0,,0.0,,,,0.0,0.0
CCn1c(SCC(=O)N2CCCC(C)C2)nnc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1,CID3172006,,,,,,,,,,,,0.0,,,,,
CCn1c(SCC(=O)N2CCCCC2C)nnc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1,CID3172005,,,,,,,,,,,,0.0,,,,,
CCn1c(SCC(=O)N2CCC(C)CC2)nnc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1,CID1137240,,,,,,,,,,,,0.0,,,,,
COc1nc(-c2ccc(Cl)cc2)ccc1-c1noc(-c2ccncc2)n1,CID1091870,0.0,,,,,,,,,,,,,,,,
CCOc1nc(-c2ccc(OC)cc2)ccc1-c1noc(-c2ccncc2)n1,CID663893,0.0,0.0,0.0,,,0.0,0.0,,,,,,0.0,,,,
CCOc1nc(-c2ccccc2)ccc1-c1noc(-c2ccncc2)n1,CID645805,,,,,,,,,,,0.0,,,,,,
COc1ccc(-c2ccc(-c3noc(-c4ccncc4)n3)c(OC)n2)cc1,CID664211,0.0,,,0.0,,,,,,,0.0,,,,,,
COc1ccc(N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)NCCc3ccc(Cl)cc3)c2)cc1,CID2435577,,,,,,,,,,,,,,0.0,,,
COc1ccc(CCNC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)c3ccccc3)c2)cc1,CID2530545,,,,,,,,,,,,,,,0.0,,
CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCCc2ccc(O)c(O)c2)c1,CID2358851,,,,,,,,,,,,,,,0.0,,
CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2ccc(OC)cc2)c1,CID2089490,,,,,,,,,,,,,,,0.0,,
CN1CCN(c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)CC1,CID647099,0.0,,,,,,,0.0,0.0,,0.0,0.0,,,,,0.0
CCN1CCN(c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)CC1,CID1090054,,0.0,,,,,,0.0,0.0,,,,,0.0,,,
CCC(=O)N1CCN(c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)CC1,CID652011,0.0,0.0,,,,,,,0.0,0.0,,,,,,,
CC(=O)N1CCN(c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)CC1,CID646586,0.0,,0.0,,,0.0,,,0.0,,,,0.0,,,,
Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N(C)Cc2ccccc2)CC1,CID3238256,,,,,,,,,,,,,0.0,0.0,,0.0,
COc1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1,CID3243069,,0.0,,,0.0,,,,,,,,,,,0.0,0.0
Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1,CID3241149,,0.0,0.0,,0.0,,,,,,,,,,,0.0,0.0
CCCCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1,CID9551048,,,,,,0.0,,,,,,,,,,,
Cc1ccccc1NC(=O)c1ccc(CSc2ncccn2)cc1,CID1252850,,,,,,0.0,,,,,,,,0.0,,,
COc1ccccc1NC(=O)c1ccc(CSc2ncccn2)cc1,CID1096064,,,,,,,,,,,,,,0.0,,,
O=C(Nc1ccccc1)c1ccc(CSc2ncccn2)cc1,CID851612,,,,,,0.0,,,,,,,,0.0,,,
Cc1ccc(NC(=O)c2ccc(CSc3nccc(C)n3)cc2)cc1,CID851616,,,,,,,,,,,,,,0.0,,,
COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCCCCN1C(=O)CCC1=O,CID2964888,,0.0,,0.0,,,,,,,,,,,,,
O=C(CCCCCN1C(=O)CCC1=O)Nc1ccc(Br)cc1F,CID2219854,0.0,,,,,,0.0,,0.0,,0.0,0.0,,,,0.0,0.0
COc1ccc(NC(=O)CCCCCN2C(=O)CCC2=O)cc1Cl,CID2219852,,,,,,0.0,,,,0.0,,,,,,,
Cc1c(Cl)cccc1NC(=O)CCCCCN1C(=O)CCC1=O,CID2219845,,0.0,,0.0,,,0.0,,,0.0,,,,,,0.0,0.0
CC1N(O)C(c2ccc(Cl)cc2Cl)N(O)C1(C)C,CID659762,,,,0.0,,,,,,,,,,,,,
CCC(=O)N1CCN(C(C)=O)C1c1ccccc1,CID649390,,,,,,,,0.0,,0.0,,,,,,0.0,
CCC(=O)N1CCN(C(=O)CC)C1c1ccccc1,CID655919,,,,0.0,,,0.0,,0.0,,,,0.0,0.0,,0.0,
CC(=O)N1CCN(C(C)=O)C1c1ccccc1,CID717125,,,0.0,,,,,,0.0,,,,,,,0.0,
CCOc1cccc(C(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)c1,CID1311459,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,,,0.0
CCOc1ccccc1C(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1,CID1293889,,,,,,0.0,,,,0.0,,0.0,,,,,
CCOc1cccc(C(=O)Nc2cccc(-c3nnc(-c4ccc(C)cc4)o3)c2)c1,CID1026625,,,,,,,,,,,0.0,,,,,,0.0
COc1cccc(C(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)c1,CID1230972,0.0,0.0,,,,,,0.0,,0.0,0.0,,,,,,
COc1cccc(-n2ccnc2SCC(=O)Nc2nccs2)c1,CID866705,0.0,,,,0.0,,0.0,,0.0,0.0,,,,,,,
Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2nccs2)c1,CID866702,0.0,0.0,,0.0,0.0,0.0,0.0,,0.0,0.0,,,,,0.0,,
Cc1cccc(-n2ccnc2SCC(=O)Nc2nccs2)c1,CID866695,0.0,0.0,,0.0,0.0,,,,0.0,0.0,,,,,,0.0,
Cc1cccc(-n2ccnc2SCC(=O)Nc2nccs2)c1C,CID866699,0.0,0.0,0.0,0.0,0.0,,,,,0.0,,,,0.0,0.0,,
COc1ccccc1C1C(C#N)=C(N)Oc2cc(C)n(CCCn3ccnc3)c(=O)c21,CID666311,,0.0,,0.0,,,,,,,,,,,,0.0,
COC(=O)C1=C(N)Oc2cc(C)n(CCCn3ccnc3)c(=O)c2C1c1ccc(Cl)cc1,CID667047,0.0,,,,0.0,,,,,,,,0.0,,,,0.0
COC(=O)C1=C(N)Oc2cc(C)n(CCCn3ccnc3)c(=O)c2C1c1cccc(Cl)c1,CID666237,0.0,,,,0.0,,,,,,,,0.0,,,,0.0
COC(=O)C1=C(N)Oc2cc(C)n(CCCn3ccnc3)c(=O)c2C1c1ccccc1Cl,CID665874,,,0.0,,0.0,,0.0,,,,,,0.0,,,,
CN(Cc1ccccc1)Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1,CID662551,0.0,0.0,0.0,,,,,,,,,,,,,,
CN(Cc1ccccc1)Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl,CID662943,0.0,,,,,0.0,,,,,,,0.0,,,,
Cc1ccc(C)c(Cn2c(CN(C)Cc3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)c1,CID5310412,,,,,,,,,,,,0.0,,,,,
Cc1ccc(Cn2c(CN(C)Cc3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)cc1,CID663059,0.0,,,,,,0.0,,,,,,0.0,,0.0,,
COc1cc(C(=O)N2CCCC(c3nc(-c4cccs4)no3)C2)cc(OC)c1OC,CID654179,,,0.0,,0.0,,,,,,,,,0.0,,,0.0
COc1ccc(C(=O)N2CCCC(c3nc(-c4cccs4)no3)C2)cc1,CID646215,,,,,,,,,,,,,,,,,0.0
COc1ccc(C(=O)N2CCCC(c3nc(-c4cccs4)no3)C2)cc1OC,CID644887,,,,,0.0,,,,,,,,0.0,,,,0.0
COc1cccc(C(=O)N2CCCC(c3nc(-c4cccs4)no3)C2)c1,CID651342,,,,,,,,,,,,,0.0,,,,
Cc1ccc(C=C2C(=O)c3ccccc3C2=O)o1,CID698583,,,,,,,,,,,,,,0.0,,,
O=C1C(=Cc2ccco2)C(=O)c2ccccc21,CID614207,,,,,,,,,,,,,,0.0,,,
O=C(O)c1ccc2c(c1)C(=O)/C(=C\c1ccco1)C2=O,CID741770,,,,,,,,,,,,,,0.0,,,
O=C1C(=Cc2ccc(Br)o2)C(=O)c2ccccc21,CID671424,,,,,,,,,,,,,,0.0,,,
Cc1coc2cc3oc(=O)c4c(c3cc12)CCC4,CID854732,,,,,,,,,0.0,,,,,,,0.0,
Cc1oc2c(C)c3oc(=O)c4c(c3cc2c1C)CCC4,CID707719,,,,,,,,,0.0,,0.0,,0.0,0.0,0.0,0.0,
Cc1coc2c(C)c3oc(=O)c4c(c3cc12)CCC4,CID707718,,,,,,,,,0.0,,,,,,,0.0,
Cc1oc2cc3oc(=O)c4c(c3cc2c1C)CCC4,CID707714,,,,,,,,0.0,0.0,,,,,,,0.0,0.0
O=C(NCc1cccnc1)c1cc2ccccc2oc1=O,CID691928,,,,,,,,,,0.0,,,,,0.0,,
COc1ccc2oc(=O)c(C(=O)NCc3cccnc3)cc2c1,CID712609,,,,,,,,,,,0.0,,,,,,
CCOc1cccc2cc(C(=O)NCc3cccnc3)c(=O)oc12,CID1245033,,,,,,,,,0.0,,,,,,,0.0,
C=CCc1cccc2cc(C(=O)NCc3cccnc3)c(=O)oc12,CID832184,,0.0,0.0,,0.0,,,0.0,,,,,0.0,0.0,,,
COc1ccc(C(=O)CN2C(=O)c3ccccc3C2=O)c(OC)c1C,CID971774,,,0.0,,,,0.0,,0.0,,,0.0,,,,,
Cc1c(O)ccc(C(=O)CN2C(=O)c3ccccc3C2=O)c1O,CID960579,,,,,0.0,,,,,,0.0,0.0,,,,,
CC(C(=O)c1ccccc1)N1C(=O)c2ccccc2C1=O,CID519663,,,,,,,,,,,,,,,0.0,,
O=C(CN1C(=O)c2ccccc2C1=O)c1ccccc1,CID243038,,,,,,,,,0.0,,,,,,,,
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccccn3)CC2)cc1,CID1075639,,,,,,,,,0.0,0.0,,,,,,,
COc1ccc(OC)c(S(=O)(=O)N2CCN(c3ccccn3)CC2)c1,CID1091562,,,,,,,,,0.0,,,,,,,,
COc1ccc(S(=O)(=O)N2CCN(c3ccccn3)CC2)cc1OC,CID1091567,,0.0,,,,,,,,,,,0.0,,,,
N#CCc1c(C#N)c(N)nc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c1C#N,CID2997720,,,0.0,,0.0,,,,,,,,,,,,
N#CCCSc1nc(N2CCOCC2)c2c(c1C#N)CCCC2,CID658830,,0.0,,0.0,,,,,,0.0,0.0,,,,,,
CSc1nc(N2CCOCC2)c2c(c1C#N)CCCC2,CID2865028,,,,,,,,,,0.0,0.0,0.0,,,,,
CCCSc1nc(N2CCOCC2)c2c(c1C#N)CCCC2,CID658137,,,0.0,,,,0.0,,,,0.0,0.0,,,,,0.0
CCSc1nc(N2CCOCC2)c2c(c1C#N)CCCC2,CID657960,,0.0,,,,,0.0,,,,0.0,0.0,0.0,,,0.0,
Cc1cccn2c(=O)c3cc(C(=O)NCc4ccco4)c(=N)n(CCOCCO)c3nc12,CID3245297,,,,,,,,,,,,,,,,,0.0
COCCn1c(=N)c(C(=O)NCc2ccco2)cc2c(=O)n3ccccc3nc21,CID661238,,0.0,,0.0,,,,,0.0,,,,,,,0.0,
COCCn1c(=N)c(C(=O)NCc2ccco2)cc2c(=O)n3cccc(C)c3nc21,CID2927610,,,,0.0,,,,0.0,,,,,,,,,
Cc1cccn2c(=O)c3cc(C(=O)NCc4ccco4)c(=N)n(C(C)C)c3nc12,CID1080188,,,0.0,,,,,,,,,,0.0,,,,
Nn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1ccccn1,CID1242241,,,0.0,,0.0,,,,,0.0,0.0,,,,,,
CCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1ccccn1,CID663336,,0.0,,,,,,,,,,,,,,0.0,
C=CCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1ccccn1,CID662853,0.0,,0.0,,,0.0,,,,0.0,,,,,,,
Cn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1ccccn1,CID662614,,0.0,,0.0,,,,,0.0,,,,0.0,,,,
COc1ccc2oc(=N)c(C(=O)Nc3ccccc3)cc2c1,CID389249,0.0,,,0.0,0.0,,0.0,0.0,0.0,,,,0.0,,0.0,,0.0
COc1ccc2o/c(=N\O)c(C(=O)Nc3ccccc3OC)cc2c1,CID807083,,,,,,,,,0.0,,0.0,0.0,,0.0,0.0,,
COc1ccc(NC(=O)c2cc3cc(OC)ccc3oc2=N)cc1,CID3245498,,,,,,,,0.0,,,,,,,,,
COc1ccccc1NC(=O)c1cc2ccccc2o/c1=N\O,CID653612,0.0,,,,,,0.0,0.0,0.0,,,,,,,,
Cn1c(=O)c2c(nc(CN3CCN(CCO)CC3)n2Cc2cccc3ccccc23)n(C)c1=O,CID663141,,0.0,0.0,,,,,,,0.0,,,,,,,0.0
CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc3ccccc23)CC1,CID666314,0.0,,,,,,0.0,,,,0.0,0.0,,0.0,,,
CCOC(=O)N1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc3ccccc23)CC1,CID666174,,,,,,,,,,0.0,,,,,,,
CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc3ccccc23)CC1,CID666917,0.0,0.0,,0.0,,,,,,0.0,,0.0,,0.0,,,0.0
CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccncc2)C1c1ccccc1,CID5389942,,0.0,,,,,,,,,,,,,,0.0,
COc1cccc(C2/C(=C(/O)c3ccncc3)C(=O)C(=O)N2CCCN(C)C)c1,CID5389766,,,,,,0.0,,,,,,,,,,,
CCCOc1cccc(C2/C(=C(/O)c3ccncc3)C(=O)C(=O)N2CCCN(C)C)c1,CID5389901,,,,,,,,,,,0.0,,,,,,
CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccncc2)C1c1cccc(Br)c1,CID5389866,,,,,,,,,,,,,,,,,0.0
CCOc1ccc(-n2c(SCC(=O)Nc3cc(C)on3)nc3c([nH]c4ccccc43)c2=O)cc1,CID2156187,0.0,,,,0.0,,,0.0,,,,,0.0,,,,0.0
COc1cccc(-n2c(SCC(=O)Nc3cc(C)on3)nc3c([nH]c4ccccc43)c2=O)c1,CID2156102,,,0.0,,0.0,,,0.0,,,0.0,,,,,,
Cc1ccc(-n2c(SCC(=O)Nc3cc(C)on3)nc3c([nH]c4ccccc43)c2=O)cc1,CID2156039,,,,,,,,,,,0.0,,,,,,
Cc1cc(NC(=O)CSc2nc3c([nH]c4ccccc43)c(=O)n2-c2cccc(C(F)(F)F)c2)no1,CID2156314,,,,,,,,,,0.0,,,,,,,0.0
CCOCCCn1c(=N)c(C(=O)NCc2ccc3c(c2)OCO3)cc2c(=O)n3ccccc3nc21,CID663486,,,,,,,,,,,,0.0,0.0,,,,
CCCn1c(=N)c(C(=O)NCc2ccc3c(c2)OCO3)cc2c(=O)n3cccc(C)c3nc21,CID663493,,,,0.0,,,,,,,,,,,,,
COCCCn1c(=N)c(C(=O)NCc2ccc3c(c2)OCO3)cc2c(=O)n3ccccc3nc21,CID662908,,,,0.0,,,0.0,,,,,0.0,0.0,,,,0.0
COCCCn1c(=N)c(C(=O)NCc2ccc3c(c2)OCO3)cc2c(=O)n3cccc(C)c3nc21,CID664913,,,,,,,,,,,,,0.0,,,,
O=C(COc1ccc(Br)cc1)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1,CID1300223,0.0,,,,,,0.0,,0.0,,,,,,,0.0,0.0
O=C(COc1ccccc1)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1,CID660304,0.0,0.0,0.0,0.0,,0.0,,0.0,0.0,,,0.0,,,,,
CCC(Oc1ccccc1)C(=O)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1,CID2953732,0.0,,,,0.0,,,,,0.0,,0.0,,,,,
Cc1ccc(OCC(=O)Nc2ccc(-c3nnc(-c4ccco4)o3)cc2)cc1,CID659595,0.0,0.0,,,,,,,,,0.0,,,0.0,,,
CCOc1ccccc1C1CC(=O)Nc2cc3c(cc21)OCO3,CID656346,,,,,,,0.0,,,,,,,,,0.0,
CCCOc1c(OC)cccc1C1CC(=O)Nc2cc3c(cc21)OCO3,CID2980963,,,,,,,,,,,,,,,,0.0,
CC(C)Oc1ccccc1C1CC(=O)Nc2cc3c(cc21)OCO3,CID645310,,,,,,,,,,,,,,,,0.0,0.0
CCCOc1ccccc1C1CC(=O)Nc2cc3c(cc21)OCO3,CID3245942,,,,,,,0.0,0.0,,,,,,,,,
COc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccc4c(c3)OCO4)CC2)cc1,CID3242987,0.0,,,0.0,,,,0.0,,,,,,,0.0,,
CCOc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccc4c(c3)OCO4)CC2)cc1,CID3242564,0.0,,,,,,,,,,,,,,,,0.0
COc1ccccc1NC(=O)CN1CCN(CC(=O)Nc2ccc3c(c2)OCO3)CC1,CID3243035,0.0,,,,,,,0.0,,0.0,0.0,,,,,,0.0
O=C(CN1CCN(CC(=O)Nc2ccc3c(c2)OCO3)CC1)Nc1ccc(F)cc1,CID3236610,,0.0,0.0,,,,,0.0,,,,,,,,,
CCOC(=O)c1ccc(N2CN=C3SCC(=O)N3C2)cc1,CID1922396,0.0,0.0,0.0,0.0,0.0,,,0.0,,,,,,,,,
CN(C)c1ccc(N2CN=C3SCC(=O)N3C2)cc1,CID2315873,,,,,,0.0,,,,,,,,,,,
Cc1ccc(N2CN=C3SCC(=O)N3C2)cc1C,CID1311301,,,,,,,,,,,,,,,0.0,,
CCC1SC2=NCN(c3ccccc3)CN2C1=O,CID3239981,,,,0.0,,0.0,,,,,,,0.0,,,,
Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCCC3)o2)cc1,CID5308923,,,,,,,,0.0,,,,,,,,0.0,
COc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCCC3)o2)cc1,CID5307714,,,0.0,,,,,0.0,,,,,,,0.0,0.0,
O=C(c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1)N1CCCC1,CID5307777,0.0,,,,,,,,,,,,,,,0.0,
COc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N2CCCC2)o1,CID5308009,,,,,,,,,,0.0,,,,,,0.0,
Cc1cccc(Oc2ncc(-c3ccc(Cl)cc3)cn2)c1C,CID1472451,,,,,,0.0,,,,,,0.0,,,,,
Cc1cccc(Oc2ncc(-c3ccc(Cl)cc3)cn2)c1,CID1472454,,,,,,,,,,,,,,0.0,,,
Clc1ccc(-c2cnc(Oc3ccccc3)nc2)cc1,CID1472449,,,,,,0.0,,,,,,,,0.0,,,
Cc1ccc(Oc2ncc(-c3ccc(Cl)cc3)cn2)cc1,CID2767910,,,,,,0.0,,,,,,,,,,,
O=C(Nc1nc2ccccc2s1)C1CC(=O)N(c2ccc(Br)cc2)C1,CID2947633,,,,,,,,,0.0,,,,,,,,
O=C(Nc1nc2ccccc2s1)C1CC(=O)N(c2ccc(F)cc2)C1,CID3155574,,,,,,,,,,0.0,,,,,,,
O=C(Nc1nc2ccccc2s1)C1CC(=O)N(c2ccccc2)C1,CID3155576,,,,,,,,,,,0.0,,,,,,
O=C(Nc1nc2ccccc2s1)C1CC(=O)N(c2ccc(Cl)cc2)C1,CID3155573,,,,,,,,,0.0,,0.0,0.0,,,,,
COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCCC3)cc2)cc1,CID1092928,,,,0.0,,,,,,,0.0,,0.0,,,0.0,
CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCCC3)cc2)cc1,CID2231483,,,,,,,,,,0.0,,,,,,0.0,0.0
Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)N2CCCC2)cc1,CID2224441,,,,,,,,0.0,,,0.0,,0.0,,,0.0,0.0
Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)N3CCCC3)cc2)c1,CID2964501,,,,,,,,,,0.0,0.0,,,,,,
CCC(Sc1nc2cc3c(cc2c(=O)n1Cc1ccco1)OCO3)C(=O)Nc1cccc(OC)c1,CID3243676,,,,,,,,0.0,,,0.0,,,,,,0.0
CCC(Sc1nc2cc3c(cc2c(=O)n1Cc1ccco1)OCO3)C(=O)Nc1ccccc1OC,CID3241721,,0.0,,,0.0,,0.0,,,0.0,,0.0,0.0,,,,0.0
CCc1ccccc1NC(=O)C(CC)Sc1nc2cc3c(cc2c(=O)n1Cc1ccco1)OCO3,CID3244906,,,,,,,0.0,,,,,,0.0,,,0.0,
CCc1ccc(NC(=O)C(CC)Sc2nc3cc4c(cc3c(=O)n2Cc2ccco2)OCO4)cc1,CID5054376,,,,,,,,,,0.0,,,,,,,
CCSC1=C(C#N)C2(CCCCC2)C(C#N)C(=O)N1,CID2833681,,0.0,,,,,,,,,,,,,,,0.0
C=CCSC1=C(C#N)C2(CCCCC2)C(C#N)C(=O)N1,CID2833680,,,0.0,0.0,,0.0,,,,,,,,,,,0.0
CCOC(=O)C1=C(C)NC(=O)C(C(N)=O)C12CCCCC2,CID649416,,,,,0.0,,,,,,,,,,,,
CCCSC1=C(C#N)C2(CCCCC2)C(C#N)C(=O)N1,CID534510,,,,0.0,,,,,,,,,,,,0.0,
COc1ccc(N2C(=O)CC(Sc3nc(C)c4c(n3)CCCC4)C2=O)cc1,CID665920,,0.0,,,,0.0,,,,,,,,,0.0,,0.0
Cc1nc(SC2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)nc2c1CCCC2,CID2948674,,,,,,0.0,,,,,,,,,,,
Cc1cccc(N2C(=O)CC(Sc3nc(C)c4c(n3)CCCC4)C2=O)c1,CID662993,0.0,0.0,,0.0,0.0,,,,,,,,,,,0.0,0.0
Cc1nc(SC2CC(=O)N(c3ccccc3)C2=O)nc2c1CCCC2,CID662424,,,,,0.0,,,,,,0.0,,,,,,
COc1cccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCC4CCCO4)c3n2)c1,CID666294,0.0,,,,0.0,,,,,,,,,,,,0.0
COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCC4CCCO4)c3n2)cc1,CID651268,0.0,,,,0.0,,,,,,,0.0,,,,,0.0
COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCC4CCCO4)c3n2)cc1OC,CID2872371,0.0,,,,0.0,,,,,,,,,,,,0.0
COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NCC4CCCO4)c3n2)cc1,CID2945025,0.0,,,,0.0,,,,,,,,,,,,
O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(c2ccccc2)CC1,CID1148713,,,0.0,,,0.0,,,,0.0,,,0.0,0.0,,,
Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1,CID648950,,,0.0,,0.0,,,,,0.0,0.0,,,0.0,,,
O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(c2cccc(Cl)c2)CC1,CID1292964,,,,,0.0,,0.0,,,0.0,,,,,0.0,,
Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1,CID647987,0.0,0.0,,0.0,0.0,0.0,,,,0.0,,,0.0,,0.0,,
CCOC(=O)C1=C(Cc2ccc(OC)cc2)C(=O)c2ccccc2C1=O,CID1068432,,,,,,,,,0.0,,,,,,,,
CCOC(=O)C1=C(Cc2ccc(F)cc2)C(=O)c2ccccc2C1=O,CID755636,,,,,,,,,,,0.0,,,,,,
CCOC(=O)C1=C(Cc2ccc(Cl)cc2)C(=O)c2ccccc2C1=O,CID2841621,,,,,,,,,,,,,,0.0,0.0,,
CCOC(=O)C1=C(Cc2ccc(C)cc2)C(=O)c2ccccc2C1=O,CID2841620,,,,,,,,,,,0.0,0.0,,,,,
COCCCN1C(=O)c2ccc(C(=O)NCc3ccco3)cc2C1=O,CID664218,,0.0,,,,0.0,0.0,0.0,,,,,0.0,,0.0,,
CC(C)(C)N1C(=O)c2ccc(C(=O)NCc3ccco3)cc2C1=O,CID976403,,0.0,,,,,0.0,,0.0,,,,,,,,
CCCN1C(=O)c2ccc(C(=O)NCc3ccco3)cc2C1=O,CID891301,,,0.0,,,,,0.0,0.0,,,,0.0,,,0.0,
CC(C)CCN1C(=O)c2ccc(C(=O)NCc3ccco3)cc2C1=O,CID839484,,,,,,,0.0,,0.0,,0.0,,0.0,,0.0,,0.0
COc1ccc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)cc1,CID655021,0.0,,,0.0,0.0,,,,0.0,,,,,,,,0.0
CC(NC(=O)Cn1nc(C(F)(F)F)c2c1CCC2)c1ccccc1,CID3136370,,,,,,,,,0.0,,,,,,,,
CN(Cc1ccccc1)C(=O)Cn1nc(C(F)(F)F)c2c1CCC2,CID1129740,,,,,,,,,0.0,,,,,,,,
O=C(Cn1nc(C(F)(F)F)c2c1CCC2)NCc1ccc(F)cc1,CID648382,,,,,,,,,,,,,,,,,0.0
CC(C)Cn1c(N)c(C(=O)CSc2nnnn2-c2ccc(Cl)cc2)c(=O)n(C)c1=O,CID2610204,,,,,0.0,,,,,,,,0.0,,,,
CCCn1c(N)c(C(=O)CSc2nnnn2-c2ccc(O)cc2)c(=O)n(C)c1=O,CID2507224,,,,,,,,,,,0.0,,,,0.0,,
Cc1ccc(C)c(-n2nnnc2SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1,CID2109682,,,,,,,,,,,,,,,0.0,,
Cc1ccc(-n2nnnc2SCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)cc1,CID2615767,,,,0.0,0.0,,,,,,,,,,,0.0,
Cc1cc(C)n2nc(C(=O)Nc3ccc4c(c3)OCO4)cc2n1,CID2982379,,,,,,,,,0.0,0.0,,,,,,,
CC(=O)c1cc2c(cc1NC(=O)c1cc3nc(C(C)C)cc(C(F)(F)F)n3n1)OCO2,CID648987,0.0,,,,0.0,,,,,,,,,,,,
O=C(Nc1ccc2c(c1)OCO2)c1cc2ncc(Br)cn2n1,CID1258402,,,,,,,0.0,,,,0.0,0.0,,,,0.0,0.0
CC(C)c1cc(C(F)(F)F)n2nc(C(=O)Nc3ccc4c(c3)OCO4)cc2n1,CID653043,,,,,0.0,,,,0.0,0.0,,,,,,,0.0
COc1cc(Cl)cc(C2NC(=O)NC(C)=C2C(=O)NCc2ccccc2)c1O,CID2943506,0.0,,,0.0,,,,,,0.0,,,,,,0.0,0.0
CC1=C(C(=O)NCc2ccccc2)C(c2ccccc2OCC(N)=O)NC(=O)N1,CID2962447,,,,,,,,,0.0,,,,,,,0.0,0.0
CCCOc1c(OC)cc(Cl)cc1C1NC(=O)NC(C)=C1C(=O)NCc1ccccc1,CID2962466,,,,,,,,,,,0.0,,,,,,
C=CCOc1ccccc1C1NC(=O)NC(C)=C1C(=O)NCc1ccccc1,CID2979937,,,,,,,,,0.0,,0.0,,,,,,
CC(C)C(OC(=O)c1ccco1)C(=O)NCc1cccs1,CID645461,,,0.0,,0.0,,,0.0,,,,,,0.0,,,
O=C(COC(=O)c1ccc(Br)o1)NCc1cccs1,CID2365478,,,,,,,,,,,,,,0.0,,,
CC(OC(=O)c1ccco1)C(=O)NCc1cccs1,CID651235,,,,,0.0,,,,0.0,,,,,0.0,,,
O=C(COC(=O)c1ccco1)NCc1cccs1,CID1084754,,,,0.0,0.0,,,,0.0,,0.0,,,0.0,,,
O=C(CN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1cccnc1,CID1371626,,,,,,,,,,,,,,0.0,,,
COc1cc(/C=C2\SC(=S)N(CC(=O)Nc3cccnc3)C2=O)cc(OC)c1OC,CID1371413,,,,,,,,,,,,,,0.0,,,
O=C(CN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1cccnc1,CID1202245,,,,,,,,,,,,,,0.0,,,
Cc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cccnc3)C2=O)cc1,CID1338143,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C(=O)COC(=O)c2cccs2)cc1,CID1218091,,,,,,,,,,0.0,,,,0.0,,,
CCN(CC)S(=O)(=O)c1csc(C(=O)OCC(=O)c2ccccc2)c1,CID1311854,,,,,,,,,0.0,,,,,,0.0,,
O=C(COC(=O)c1cccs1)c1ccccc1,CID570654,,,0.0,,,,,,0.0,0.0,,,,,,,
CCc1ccc(C(=O)COC(=O)c2cccs2)cc1,CID902762,,,,,,,,,0.0,,0.0,,,0.0,,,
O=C(Nc1ccc(F)cc1)c1cccnc1N1CCCCC1,CID2964237,,,,,,,,,,,,0.0,,,,,
O=C(Nc1ccc(Cl)cc1)c1cccnc1N1CCCCC1,CID2964238,,,,,,,,,,0.0,,,,,,,
O=C(Nc1ccc(Br)cc1)c1cccnc1N1CCCCC1,CID2964239,,,,,,,,,0.0,,0.0,0.0,,,,,
COc1ccc(NC(=O)c2cccnc2N2CCCCC2)cc1,CID714030,,,,,,,0.0,,,,,,,,,,
CCOC(=O)Cc1csc(NC(=O)c2cc3c(s2)CCCC3)n1,CID1244048,,,,,,,,,0.0,0.0,0.0,,,0.0,0.0,,
COC(=O)c1sc(NC(=O)c2cc3c(s2)CCCC3)nc1C,CID1246947,,,0.0,,0.0,,,,0.0,0.0,,,,0.0,,,
Cc1csc(NC(=O)c2cc3c(s2)CCCC3)n1,CID2679162,,,,,,0.0,,,,,,,,0.0,,,
Cc1cnc(NC(=O)c2cc3c(s2)CCCC3)s1,CID2450438,,,,,,,,,,,0.0,,,0.0,,,
COc1ccccc1C(=O)Nc1ccc2c(c1)nc(CN1CCN(C(C)=O)CC1)n2C,CID2970016,,,,,,,,,,0.0,,,,,,,0.0
CC(=O)N1CCN(Cc2nc3cc(NC(=O)c4ccccc4)ccc3n2C)CC1,CID2968676,,,,,,,,,,,,0.0,,,,,
CC(=O)N1CCN(Cc2nc3cc(NC(=O)c4ccccc4C)ccc3n2C)CC1,CID4887988,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(=O)Nc2ccc3c(c2)nc(CN2CCN(C(C)=O)CC2)n3C)cc1,CID4898713,,,,,,0.0,,,,,0.0,,,,,,
COC(=O)c1c(NC(=O)CSc2nnnn2-c2ccccc2)sc2c1CCC(C)C2,CID2998370,,0.0,,,0.0,,0.0,,0.0,,0.0,0.0,0.0,,,,0.0
CCOC(=O)c1c(NC(=O)CSc2nnnn2-c2ccccc2)sc2c1CCC(C)C2,CID2910478,,,,,,,,,,0.0,0.0,0.0,,,,,
COC(=O)c1c(NC(=O)CSc2nnnn2-c2ccccc2)sc2c1CCC(C(C)(C)C)C2,CID3281351,,,,,,,,,,,,0.0,,,,,
COC(=O)c1c(NC(=O)CSc2nnnn2-c2ccccc2)sc2c1CCCC2,CID2239590,0.0,,,,0.0,0.0,0.0,,0.0,,0.0,0.0,,,,,
COc1cccc(CNC(=O)Cn2cc3c(n2)CCCCC3)c1,CID5308317,0.0,,,,,,,,,,,,,,,,
CC(NC(=O)Cn1cc2c(n1)CCCCC2)c1ccccc1,CID5308827,0.0,0.0,0.0,0.0,,,,0.0,,,,,,,,0.0,
COc1ccc(CNC(=O)Cn2cc3c(n2)CCCCC3)cc1,CID5308627,0.0,,0.0,,,,0.0,,,0.0,,,,,,0.0,
O=C(Cn1cc2c(n1)CCCCC2)NCc1ccccc1,CID5309308,0.0,0.0,,,,0.0,,0.0,,,,,,,,,
Cc1ccc(-c2csc3nnc(SCC(=O)Nc4nsc(-c5ccccc5)n4)n23)cc1,CID2212701,,,,0.0,0.0,,,,,,,0.0,,,,,
Cc1ccc(-c2nc(NC(=O)CSc3nnc4scc(-c5ccccc5)n34)ns2)cc1,CID4256680,,,,,0.0,,,,,,,,,,,,
O=C(CSc1nnc2scc(-c3ccccc3)n12)Nc1nsc(-c2ccccc2)n1,CID1589738,,,,,0.0,,,,,,,,,,,,
O=C(CSc1nnc2scc(-c3ccccc3)n12)Nc1nsc(-c2ccc(Cl)cc2)n1,CID2200894,,,,,0.0,,0.0,,,,,0.0,,,,,
COc1ccc(Cn2nc(-c3ccccc3)c(N3CCCCC3)cc2=O)cc1,CID1472484,,,,,,,,,,,,,,0.0,,,
O=c1cc(N2CCCCC2)c(-c2ccccc2)nn1Cc1cccc(Cl)c1,CID1472482,,,,,,,,,,,,,,,0.0,,
O=c1cc(N2CCCCC2)c(-c2ccccc2)nn1Cc1ccccc1Cl,CID1472483,,,,,,0.0,,,,,,,,,,,
O=c1cc(N2CCCCC2)c(-c2ccccc2)nn1Cc1ccc(Cl)cc1,CID1472480,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C)c(-n2c(SCC(=O)N3CCCC3)nnc2-c2ccccn2)c1,CID654123,,,0.0,,0.0,,,,,,0.0,,0.0,,,,
Cc1cccc(-n2c(SCC(=O)N3CCCC3)nnc2-c2ccccn2)c1C,CID646496,0.0,0.0,,,0.0,,,,,,,,,,,0.0,
CCc1ccccc1-n1c(SCC(=O)N2CCCC2)nnc1-c1ccccn1,CID654960,0.0,,0.0,,0.0,,,,,,0.0,,,,,0.0,
Cc1ccccc1-n1c(SCC(=O)N2CCCC2)nnc1-c1ccccn1,CID652877,0.0,0.0,0.0,,0.0,0.0,,,,,0.0,,0.0,,,0.0,
Cc1nc2c3cnn(-c4ccc(C)c(C)c4)c3ncn2n1,CID664733,,0.0,,0.0,,,,0.0,,,,0.0,,,,,
CCCc1nc2c3cnn(-c4cccc(Cl)c4)c3ncn2n1,CID664143,0.0,0.0,,,,,0.0,,,,,,,,,,
CCc1nc2c3cnn(-c4cc(Cl)ccc4C)c3ncn2n1,CID664804,0.0,,,,,,0.0,,,,,,,,,,
Cc1nc2c3cnn(-c4ccccc4)c3ncn2n1,CID664538,,,0.0,0.0,,,0.0,,,,,0.0,,,,,
COc1ccccc1/C=N/NC(=O)c1ccc(=O)n(C)c1,CID748909,,,,,,,,,,,,,,,0.0,,
Cn1cc(C(=O)N/N=C/c2cccc(O)c2)ccc1=O,CID714336,,,,,,,,,,,,,,,0.0,,
COc1cccc(/C=N/NC(=O)c2ccc(=O)n(C)c2)c1OC,CID870543,,,,,,,,,,,,,,,0.0,,
COc1ccc(OC)c(/C=N/NC(=O)c2ccc(=O)n(C)c2)c1,CID784981,,,,,,,,,,,,,,,0.0,,
CCCCNC(=O)CSc1nc2ccc(N3CCOCC3)cc2c(=O)n1CCc1ccccc1,CID3242589,,0.0,,,,,0.0,,,,,,,,,,
N#CCSc1nc2ccc(N3CCOCC3)cc2c(=O)n1CCc1ccccc1,CID3292989,,,,,,,,,,0.0,,,,,,,
COCCCNC(=O)CSc1nc2ccc(N3CCOCC3)cc2c(=O)n1CCc1ccccc1,CID3245581,,,,,,,,0.0,,,,,,,,,
COCCNC(=O)CSc1nc2ccc(N3CCOCC3)cc2c(=O)n1CCc1ccccc1,CID3243124,,,0.0,,,,,0.0,,,,,0.0,,,,0.0
CCOC(=O)C1=C(N)n2c(s/c(=C\c3ccco3)c2=O)=C(C(=O)OC)C1c1ccco1,CID652155,,,,,0.0,,,,,,,,,,,,
CCOC(=O)C1=C(N)n2c(s/c(=C\c3ccco3)c2=O)=C(C(=O)OCC)C1c1ccco1,CID658036,,,,,0.0,,,,,,0.0,,,,,,
N#CC1=C(N)n2c(s/c(=C\c3ccco3)c2=O)=C(C#N)C1c1ccco1,CID645534,,,0.0,0.0,,,,,,,,,,,,,
CCOC(=O)C1=C(N)n2c(s/c(=C\c3ccco3)c2=O)=C(C(=O)OC(C)C)C1c1ccco1,CID660505,,,,,0.0,,,,,,,,,,0.0,,
CCOc1cc(C(c2c(C)[nH][nH]c2=O)c2c(C)[nH][nH]c2=O)ccc1OS(=O)(=O)c1ccccc1,CID2930458,,,,,,,,,,,0.0,,,,,,
COc1cc(C(c2c(C)[nH][nH]c2=O)c2c(C)[nH][nH]c2=O)ccc1OS(=O)(=O)c1ccccc1,CID2929691,,,,,,,,,,0.0,0.0,,,,0.0,,
CCOc1cc(C(c2c(C)[nH][nH]c2=O)c2c(C)[nH][nH]c2=O)ccc1OS(=O)(=O)c1ccc(C)cc1,CID2928113,,,,,,,,,,0.0,,,,,,,
Cc1ccc(S(=O)(=O)Oc2ccc(C(c3c(C)[nH][nH]c3=O)c3c(C)[nH][nH]c3=O)cc2)cc1,CID2929122,,,,,,,,,,,,0.0,,,,,
CN(CC(=O)NC1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1,CID803952,,,0.0,,0.0,,,,,0.0,,,0.0,,,,0.0
COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)NC1CCCCC1,CID2237015,,,,0.0,,,0.0,,0.0,0.0,0.0,,0.0,,,,
CCN(CC(=O)NC1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1,CID1263934,0.0,,,,0.0,,0.0,,,,,,,,0.0,0.0,
COc1ccc(S(=O)(=O)N(C)CC(=O)NC2CCCCC2)cc1OC,CID1316831,,,,,,,,,,,,,,,,0.0,0.0
CCCCn1nnc(NC(=O)c2ccco2)n1,CID2219054,,0.0,,0.0,,,0.0,,,,,0.0,0.0,,0.0,,
CCCn1nnc(NC(=O)c2ccc(Br)o2)n1,CID894408,,,,,,,,,0.0,,,0.0,,,,,
Cn1nnc(NC(=O)c2ccco2)n1,CID662868,,0.0,,,,,,,,,,,,,0.0,,
CCCn1nnc(NC(=O)c2ccco2)n1,CID894157,,,0.0,0.0,,,,0.0,0.0,,0.0,,0.0,,,,
O=c1c2[nH]c3ccc(F)cc3c2ncn1CCCN1CCOCC1,CID659177,,,,,,,,,,,0.0,0.0,,,0.0,,
Cn1c2ccccc2c2ncn(CCCN3CCOCC3)c(=O)c21,CID666243,,0.0,0.0,0.0,,,,,,,,,,,,,
Cc1ccc2[nH]c3c(=O)n(CCCN4CCOCC4)cnc3c2c1,CID658903,,0.0,,,,,0.0,,,,,0.0,,,,,0.0
Cc1ccc2c(c1)[nH]c1c(=O)n(CCCN3CCOCC3)cnc12,CID664999,,0.0,,0.0,,,0.0,,,,,0.0,0.0,,,,
C=CCn1c(Cc2cccs2)nnc1SCC(=O)c1ccc(F)cc1,CID666732,,0.0,,,0.0,0.0,,,,,0.0,,,0.0,,,
CCn1c(Cc2cccs2)nnc1SCC(=O)c1ccc(C)cc1,CID1941859,,,,,,,,,,0.0,0.0,,,0.0,,,
COc1ccc(OC)c(C(=O)CSc2nnc(Cc3cccs3)n2C)c1,CID1248885,0.0,,,,0.0,,,,0.0,0.0,0.0,,0.0,0.0,0.0,,
C=CCn1c(Cc2cccs2)nnc1SCC(=O)c1cccc(Br)c1,CID666132,,,,,,,,,0.0,,0.0,,,,,0.0,
CC1CN(C(c2ccco2)c2sc3ncnn3c2O)CC(C)O1,CID3361554,,,,,,,,0.0,,,,,,,,,
Oc1c(C(c2ccco2)N2CCOCC2)sc2ncnn12,CID4090143,,0.0,,,,,0.0,0.0,,,,,,,,,
Cc1nc2sc(C(c3ccco3)N3CCOCC3)c(O)n2n1,CID3236960,,0.0,,,,,,,,,,,,,0.0,,
Cc1nc2sc(C(c3ccco3)N3CC(C)OC(C)C3)c(O)n2n1,CID3236241,,,,0.0,,,,,,,,,,,,0.0,
COCCSc1nnc(NS(=O)(=O)Cc2ccccc2)s1,CID2218579,,,,,,,,,0.0,,,,,,,,
CC(C)(C)Cc1nnc(NS(=O)(=O)Cc2ccccc2)s1,CID769167,0.0,0.0,0.0,0.0,0.0,0.0,0.0,,0.0,0.0,,,,,,,
CCC(CC)c1nnc(NS(=O)(=O)Cc2ccccc2)s1,CID975740,0.0,0.0,,0.0,0.0,,,,0.0,0.0,0.0,,,,,,
CC(C)Cc1nnc(NS(=O)(=O)Cc2ccccc2)s1,CID795491,,,,,,,,,,,,,,0.0,,,
Cc1oc(-c2cccs2)nc1CS(=O)CC(=O)NCCCOC(C)C,CID3245424,,,,0.0,0.0,,,,,,,,,,,,
CNc1oc(-c2cccs2)nc1C#N,CID661065,,0.0,,,,0.0,,,,,0.0,,,,,,
CN(C)c1oc(-c2cccs2)nc1C#N,CID661233,,0.0,,0.0,,,,,,,0.0,,,,0.0,,0.0
C=CCNc1oc(-c2cccs2)nc1C#N,CID1986205,,,,,,,,,,0.0,0.0,0.0,,,,,
COc1ccc(C(=O)CSc2ccccc2C(=O)O)cc1,CID1539829,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccc(SCC(=O)c2cc(C)c(OC(=S)N(C)C)c(C)c2)cc1,CID1486491,,,,,,,,,,0.0,,,,,,,
COc1ccc(SCC(=O)c2cc(C)c(OC(=S)N(C)C)c(C)c2)cc1,CID3780192,,,,,,,,,,,0.0,,,,,,
Cc1cc(C(=O)CSc2ccc(F)cc2)cc(C)c1OC(=S)N(C)C,CID1486505,,,,,,0.0,,,,0.0,,,,,,,
CCOC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)NC(C)(c3ccc(C)cc3)C2=O)c1C,CID2998951,,,0.0,0.0,,0.0,0.0,,0.0,,,,,,0.0,,
CCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2ccc[nH]2)C1=O,CID2999478,,,,,,,,0.0,,,,,0.0,,,,
CCCC1(c2ccccc2)NC(=O)N(CC(=O)c2[nH]c(C)c(C(=O)OCC)c2C)C1=O,CID2999371,,,,0.0,,0.0,,,,,,0.0,,,,,
CCOC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)NC(CC)(c3ccccc3)C2=O)c1C,CID2998017,,,,,,,0.0,,0.0,,,,0.0,,,0.0,
CCOC(=O)c1c(NC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)sc(CC)c1C,CID2542908,,,,,,,,,0.0,,,0.0,,,,,
CCOC(=O)c1c(NC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)sc(C)c1C,CID2529184,,,,,,,,,0.0,,,0.0,,,,,
CCOC(=O)c1c(NC(=O)Cn2nnc(-c3ccccc3Cl)n2)sc(C)c1C,CID2375160,,,,,,,,,0.0,0.0,0.0,0.0,,,,,
CCOC(=O)c1c(NC(=O)Cn2nnc(-c3ccccc3)n2)sc(C(C)=O)c1C,CID651347,,,,0.0,,,,0.0,0.0,,0.0,,,,,0.0,0.0
O=C(COC(=O)c1cccs1)NC1CCCCC1,CID731957,,,0.0,,0.0,,0.0,,,,,,,0.0,,,
CC(C)C(OC(=O)c1cccs1)C(=O)NC1CCCCC1,CID3220263,,,,,,,,,,,0.0,,,,,,
CCC(OC(=O)c1cccs1)C(=O)NC1CCCCC1,CID645876,,,,,0.0,0.0,,,,,,,,,,,
Cc1ccc(C(=O)OCC(=O)NC2CCCCC2)s1,CID2355136,,,,,,,,,,,,,,0.0,,,
CCCCCn1nc(C)c(/C=N/NC(=O)c2cc(C)oc2C)c1C,CID3116406,,,,,,,,,,0.0,,0.0,,,,,
Cc1occc1C(=O)N/N=C/c1cnn(C)c1C,CID841566,,,,,,,,,0.0,,,,,0.0,0.0,,
CCn1nc(C)c(/C=N/NC(=O)c2ccoc2C)c1C,CID573174,,,,,,0.0,,,,,,0.0,,,0.0,,
CCCCCn1nc(C)c(/C=N/NC(=O)c2ccoc2C)c1C,CID573175,,,,,,,,,,,,0.0,,,0.0,,
COc1ccc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NCc2ccco2)c2ccc(C)o2)cc1,CID644611,0.0,,0.0,,,,,,,,,,0.0,,,,
COc1ccccc1N(C(=O)Cn1nnc2ccccc21)C(C(=O)NCc1ccco1)c1ccc(C)o1,CID648736,,,,,,,,,,,0.0,,0.0,,,,0.0
Cc1ccc(C(C(=O)NCc2ccco2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2)o1,CID648356,,,,0.0,,,,,,0.0,,0.0,,,,,0.0
Cc1ccc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NCc2ccco2)c2ccc(C)o2)cc1,CID655698,0.0,,,,,,0.0,,,0.0,,,0.0,,,,0.0
N#Cc1nc(-c2cccs2)oc1NCc1ccccc1,CID661217,0.0,,0.0,0.0,0.0,,0.0,0.0,,,,,0.0,,,,
N#Cc1nc(-c2cccs2)oc1NCc1ccc(Cl)cc1,CID661245,0.0,0.0,0.0,0.0,0.0,,,,,0.0,0.0,,,,,,
N#Cc1nc(-c2cccs2)oc1NCc1ccccc1Cl,CID660993,0.0,0.0,,,0.0,,0.0,,,0.0,,,,,,,0.0
Cc1ccc(CNc2oc(-c3cccs3)nc2C#N)cc1,CID891939,0.0,0.0,0.0,0.0,0.0,,0.0,,,,0.0,,,,,,
CCN1C(=O)/C(=C\c2cccs2)C(C(=O)OC)=C1C,CID1812437,,,,,,,,,0.0,,,,,,,,
COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1cccs1,CID2055379,,,,,,,,,0.0,,,0.0,,0.0,,,
COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cccs1,CID2203825,,,,,,0.0,,,,,0.0,,,,,,
C=CCN1C(=O)/C(=C\c2cccs2)C(C(=O)OC)=C1C,CID2184980,,,,,,,,,0.0,,,,,,,,
O=C1CCCC2=C1C(c1ccc(Br)cc1)c1c([nH]c(=S)[nH]c1=O)N2,CID3238807,0.0,,,,,,,,0.0,,,,,,,,0.0
Cc1ccc(C2C3=C(CCCC3=O)Nc3[nH]c(=S)[nH]c(=O)c32)cc1,CID3242074,,,,,,0.0,0.0,,,0.0,,,,,,,
CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=S)[nH]c(=O)c1C2c1ccccc1,CID2815112,,0.0,,0.0,,,0.0,0.0,,,,,,0.0,,,
Cc1ccc(C2C3=C(CC(C)(C)CC3=O)Nc3[nH]c(=S)[nH]c(=O)c32)cc1,CID3239535,,,,,,,,,,,,,0.0,0.0,,,0.0
Cn1cnnc1SCC(=O)N1c2ccccc2-c2c(ssc2=S)C1(C)C,CID649677,,,,,0.0,,,,,,,,,,,,
Cc1ccc2c(c1)N(C(=O)CSc1nncn1C)C(C)(C)c1ssc(=S)c1-2,CID652977,,,,,0.0,,,,,,,,,,,,
Cc1cc(C)c2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)CSc1nncn1C,CID1888201,,,,,0.0,,,,,,,,,,,,
Cc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)CSc1nncn1C,CID1599104,,,,,0.0,,,,,,,,,,,,
CC(C)(C)c1ccc(OCCN2CCCC2)cc1,CID867345,,,,,,,0.0,,,0.0,0.0,,,,,,
Cc1cc(OCCN2CCCC2)ccc1C(C)C,CID803451,,,0.0,,,,0.0,0.0,,0.0,0.0,,,,,,
Cc1ccc(C(C)(C)C)c(OCCN2CCCC2)c1,CID803100,,,,,,,,,,,,,,0.0,,,
CC(C)(C)c1ccccc1OCCN1CCCC1,CID867326,,,,,,,0.0,,,0.0,,,,,,,
Cc1ccnc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c1,CID655614,,0.0,,,0.0,,,,0.0,,0.0,0.0,0.0,,,,0.0
O=C(Nc1ccccn1)c1cccc(S(=O)(=O)N2CCCCC2)c1,CID747117,,,,,0.0,,,,,,,,,,,0.0,0.0
CC1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccccn3)c2)CC1,CID1326475,,,0.0,0.0,0.0,,,,,,0.0,,,,,,0.0
O=C(Nc1ccc(Cl)cn1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl,CID1355914,,,,,,,0.0,,,,,,0.0,,0.0,,
O=C(c1cc([N+](=O)[O-])ccc1Cl)N1c2ccccc2Sc2ccccc21,CID1421194,,,,,,,,,,,,,,0.0,0.0,,
CCOc1ccccc1C(=O)N1c2ccccc2Sc2ccccc21,CID753236,,,,,,0.0,,,,,,,,,,,
COc1cccc(C(=O)N2c3ccccc3Sc3ccccc32)c1,CID667801,,,,,,,,,,,,,,0.0,,,
COc1ccccc1C(=O)N1c2ccccc2Sc2ccccc21,CID695276,,,,,,,,,,,,,,0.0,,,
CC(C)n1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nc2c1c(=O)n(C)c(=O)n2C,CID653160,,,,0.0,,0.0,0.0,,,,0.0,,,,,,0.0
CCCn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nc2c1c(=O)n(C)c(=O)n2C,CID649218,,,0.0,,,,0.0,,,,,,,,,,0.0
CCCCn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nc2c1c(=O)n(C)c(=O)n2C,CID3178539,,,,,,,,,,,,,,,0.0,,
CCn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nc2c1c(=O)n(C)c(=O)n2C,CID646305,,0.0,,,,,,,,,0.0,,,,,0.0,0.0
CN(C)CCOC(=O)C(O)(c1ccccc1)C1CCCC1,CID2857710,,,,,,,,,,,0.0,,,,0.0,,
O=C(O)C(c1ccccc1)C1(O)CCCC1,CID91332,,0.0,,,,,,,0.0,,,,,,,,
O=C(O)C(O)(c1ccccc1)C1CCCC1,CID98283,,,,,,,,,0.0,,,,,,,,
NC(=O)C(c1ccccc1)C1CCCC1,CID660544,,,,0.0,,,,,,0.0,,0.0,,,,0.0,
O=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)N1CCN(c2ccccc2F)CC1,CID650213,,,,,,,0.0,,,,,,,,,0.0,
O=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)N1CCN(c2ccccc2)CC1,CID3244732,,,,,,,,,,,,,0.0,,,,
O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)N1CCN(c2ccc(F)cc2)CC1,CID650328,,,,0.0,,,,,,,,,0.0,,,,
Cc1ccc(-n2ncc3c(=O)n(CC(=O)N4CCN(c5ccccc5F)CC4)cnc32)cc1C,CID1433577,,,,,,,,,,0.0,,,,,0.0,,
CCNc1nc(SC(C)C(=O)Nc2ccccc2)nc(N2CCOCC2)n1,CID2949756,,0.0,,,0.0,,,,,,0.0,,0.0,,,,
CC(C)Nc1nc(SCC(=O)Nc2ccccc2)nc(N2CCOCC2)n1,CID1252702,,,,0.0,0.0,,,0.0,,0.0,0.0,,0.0,,,,
CC(Sc1nc(N(C)C)nc(N2CCOCC2)n1)C(=O)Nc1ccccc1,CID2981812,,,0.0,,0.0,,,0.0,,,0.0,,,,,,
CN(C)c1nc(SCC(=O)Nc2ccccc2)nc(N2CCOCC2)n1,CID1002154,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)cc1,CID2221314,,,,,,,,,0.0,,,,,,,,
Cc1cccc(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)c1,CID2224665,,,,,,,,,0.0,,,0.0,,0.0,,,
COc1cccc(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)c1,CID798382,,0.0,,,,,0.0,0.0,0.0,,,,,,,,0.0
O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1ccccc1,CID764686,,,,,,,,,,,0.0,,,,,,
COCCOC(=O)c1c(C)oc2ccc(OC(=O)c3cccs3)cc12,CID1893221,,,0.0,,,,,,0.0,,0.0,,,,,0.0,
COC(=O)c1c(C)oc2ccc(OC(=O)c3cccs3)cc12,CID803459,,,,,,,,0.0,0.0,,,,,0.0,,,
Cc1oc2ccc(OC(=O)c3cccs3)cc2c1C(=O)OC(C)C,CID708276,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1c(C)oc2ccc(OC(=O)c3cccs3)cc12,CID719960,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C)c2[nH]c(=O)c(CN(CC3CCCO3)C(=O)NC3CCCCC3)cc12,CID651996,,,0.0,0.0,,,0.0,,,,,,,,,,0.0
Cc1cc(C)c2cc(CN(CC3CCCO3)C(=O)NC3CCCCC3)c(=O)[nH]c2c1,CID656375,,,,,,,,0.0,,,,0.0,,,,0.0,
Cc1ccc2cc(CN(CC3CCCO3)C(=O)NC3CCCCC3)c(=O)[nH]c2c1C,CID647070,,,0.0,,,,0.0,,,,,,,,,,0.0
Cc1cccc2cc(CN(CC3CCCO3)C(=O)NC3CCCCC3)c(=O)[nH]c12,CID647383,,,0.0,0.0,,,,,,,,0.0,0.0,,,,
Cc1ccccc1NS(=O)(=O)c1ccc2[nH]cc(C(=O)N(C)Cc3ccco3)c(=O)c2c1,CID3239329,,,,0.0,0.0,,,,,,,,,,,,0.0
CCc1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)N(C)Cc4ccco4)c(=O)c3c2)cc1,CID11957269,,,,,,0.0,,,,,,,,,,,
Cc1cc(C)cc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCc4ccco4)c(=O)c3c2)c1,CID3244852,,,,,0.0,,,0.0,,,,,,,,,
CCc1ccccc1NS(=O)(=O)c1ccc2[nH]cc(C(=O)NCc3ccco3)c(=O)c2c1,CID3241902,,,,,0.0,,,,0.0,,,,,,,,
CCCOc1ccc(-c2nnn(CC(=O)c3ccc4c(c3)OCCO4)n2)cc1,CID646461,,,,,,0.0,0.0,0.0,0.0,,,0.0,,,,,
COc1ccc(-c2nnn(CC(=O)c3ccc4c(c3)OCCO4)n2)cc1OC,CID2550922,0.0,,,,,,,,,,,,,,,,
CCOc1ccc(-c2nnn(CC(=O)c3ccc4c(c3)OCCO4)n2)cc1,CID649736,0.0,,,0.0,,0.0,,,,,,0.0,,,,,
CCOc1ccc(-c2nnn(CC(=O)c3ccc4c(c3)OCCO4)n2)cc1OCC,CID650134,0.0,,,,0.0,0.0,,0.0,0.0,,,0.0,0.0,,,,
CC(=O)c1cccc(NC(=O)CSc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c1,CID1252665,,,,,,,,,,,,,,,0.0,,
COc1ccc(Cl)cc1NC(=O)CSc1nc(N2CCCCC2)nc(N2CCCCC2)n1,CID2224202,0.0,,0.0,,0.0,,0.0,,,,0.0,,,,,,
COc1ccc(NC(=O)CSc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1,CID1243260,,,,,,,,,,,0.0,,,,,,
Cc1ccccc1NC(=O)CSc1nc(N2CCCCC2)nc(N2CCCCC2)n1,CID1252650,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(/C=N/n2c(SC)nnc2-c2ccccc2)cc1OCC,CID1295218,,,,,,,,,,,,,,,0.0,,
COc1ccc(/C=N/n2c(SC)nnc2-c2ccccc2)cc1C,CID869574,0.0,,,,0.0,,0.0,,,,0.0,,,,,,
COc1cccc(/C=N/n2c(SC)nnc2-c2ccccc2)c1OC,CID1365266,0.0,,,0.0,0.0,0.0,,,,,0.0,,,,,,0.0
COc1ccc(/C=N/n2c(SC)nnc2-c2ccccc2)c(OC)c1OC,CID1365516,0.0,,,,0.0,,,,,,,,,,,,
CC(C)CCNC(=O)C(C)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)C1CCCC1,CID650552,,,,,,,0.0,,,,,,,,,,
CC(C)CCNC(=O)CN(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)C1CCCC1,CID654864,,0.0,,,,,0.0,,,0.0,,,0.0,,,,
COc1cccc(-c2nnn(CC(=O)NC3CCCC3)n2)c1OC,CID644642,,0.0,0.0,,,,,0.0,,,,,,,,,0.0
O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)NC1CCCC1,CID974444,,,,,0.0,,0.0,,,,,,,,,,
COC(=O)c1ccccc1NC(=O)Cn1nc(C(F)(F)F)c2c1CCC2,CID645386,,,,0.0,0.0,,0.0,,0.0,0.0,,,,,,,0.0
O=C(Cn1nc(C(F)(F)F)c2c1CCC2)Nc1ccccc1C(F)(F)F,CID1129742,,,,,,,,,0.0,,,,,,,,
CCc1ccccc1NC(=O)Cn1nc(C(F)(F)F)c2c1CCC2,CID798513,,,,,,,,,0.0,,,,,,,,
CCc1ccc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)cc1,CID798516,,,,,,,,,0.0,,,,,,,,
CCOC(=O)C(=O)/C=C1\NC=C(C(F)(F)F)C=C1Cl,CID6505666,,,,,,,,,,,,0.0,,,,,
COC(=O)C1=C/C(=C\N=O)NC=C1,CID5767250,,,,,,,,,,,,,,,,,0.0
CN(C)CCCNCCCNC(=O)/C(N=O)=C1/C=CC=CN1,CID6324589,,,,,,,,0.0,0.0,,,,,,,,
CCCCCC/C(N=O)=C1/C=CC=CN1,CID5389069,,,,,,,,,,,,,,0.0,,,
CCN1CCN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)CC1,CID978259,,,,0.0,,,,,,,,,,,,0.0,
CN1CCN(C(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)CC1,CID2966777,0.0,0.0,0.0,0.0,,,,,,,,,0.0,,,,
CCOC(=O)N1CCN(C(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)CC1,CID2968701,0.0,,,0.0,,,,,,,,,0.0,,,,0.0
CCOC(=O)N1CCN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)CC1,CID982246,,,,,,,0.0,,,,,,,,,,
COc1ccc(CCNC(=O)CSc2nc(O)c(CC(C)C)c(=O)[nH]2)cc1OC,CID650634,,,0.0,0.0,0.0,0.0,,,,,,,,0.0,0.0,,
COc1ccc(CCNC(=O)CSc2nc(O)c(C(C)C)c(=O)[nH]2)cc1OC,CID1073930,,,,,,,,,0.0,,,,,,,,
CCCc1c(O)nc(SCC(=O)NCCc2ccc(OC)c(OC)c2)[nH]c1=O,CID652922,0.0,,0.0,0.0,0.0,,,,,0.0,0.0,,0.0,,,0.0,
CCCCc1c(O)nc(SCC(=O)NCCc2ccc(OC)c(OC)c2)[nH]c1=O,CID654618,,,,,,,,,,,0.0,,0.0,,,,
CC(=O)c1ccc(NC(=O)CO/N=C(\C)c2cccs2)cc1,CID827696,,,,,,,,,,,,,,0.0,,,
C/C(=N\OCC(=O)Nc1ccc(C)cc1C)c1cccs1,CID827694,,,,,,,,,,,,0.0,,,,,
C/C(=N\OCC(=O)Nc1ccccc1)c1cccs1,CID827691,,,,,,,,,,,,,,,0.0,,
CCc1cccc(CC)c1NC(=O)CO/N=C(\C)c1cccs1,CID827833,,,,,,,,,,,,,,0.0,,,
COc1ccc(C2SCC(=O)Nc3c2c(=O)[nH]n3C2CCCCCC2)cc1,CID663005,0.0,,,0.0,0.0,0.0,,0.0,,,,,,,,,0.0
CCOc1ccc(C2SCC(=O)Nc3c2c(=O)[nH]n3C2CCCCCC2)cc1,CID662627,,,0.0,,,,0.0,0.0,,,,,0.0,,,,0.0
COc1cc(C2SCC(=O)Nc3c2c(=O)[nH]n3C2CCCCCC2)cc(OC)c1OC,CID663023,,,0.0,,0.0,,,,,,,0.0,0.0,,,,
COc1ccc(C2SCC(=O)Nc3c2c(=O)[nH]n3C2CCCCCC2)cc1OC,CID662668,,,,,0.0,0.0,,,,,0.0,,,,,0.0,0.0
CCCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nc2c1c(=O)n(C)c(=O)n2C,CID650534,,,,0.0,,,,,,,,,,,0.0,,0.0
CCCCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nc2c1c(=O)n(C)c(=O)n2C,CID652008,,,,,,,,0.0,,,0.0,,,0.0,,,
CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nc2c1c(=O)n(C)c(=O)n2C,CID647398,,,,0.0,,,,,,,,,,,,,
CC(C)n1c(SCC(=O)Nc2ccc3c(c2)OCO3)nc2c1c(=O)n(C)c(=O)n2C,CID653791,,,0.0,,,,,0.0,,,,,,0.0,,,0.0
CCOC(=O)N1CCN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(OC)cc3)cc2)CC1,CID3241212,,,,,0.0,0.0,,0.0,,,,,,,,,0.0
CCOC(=O)N1CCN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(C)cc3)cc2)CC1,CID3245969,,,,0.0,0.0,0.0,,,,,,,,,,,
CCN1CCN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(C)cc3)cc2)CC1,CID6619460,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C)c(S(=O)(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)c1,CID2214676,,,0.0,0.0,0.0,,,0.0,,,,,,,,,0.0
COC(=O)c1sccc1NC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12,CID1008732,,,,,,0.0,,,,,,,,,,,
COC(=O)c1sccc1NC(=O)c1cc(-c2cc(C)ccc2C)nc2ccccc12,CID1012487,,,,,,,,,,,,,,0.0,,,
COC(=O)c1sccc1NC(=O)c1c(C)c(-c2cccc(Cl)c2)nc2ccccc12,CID2168192,,,,,,,,,,,,,,,0.0,,
COC(=O)c1sccc1NC(=O)c1cc(-c2ccc(C)cc2C)nc2ccccc12,CID1009537,,,,,,0.0,,,,,,,,,,,
Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2ccc(S(=O)(=O)N3CCOCC3)cc12,CID3241087,,,,,0.0,,,,,,,,,,,,0.0
Cc1ccc(NC(=O)c2oc3ccc(S(=O)(=O)N4CCOCC4)cc3c2C)cc1C,CID3245066,,,,0.0,0.0,,,,,,,,,,,0.0,0.0
Cc1cccc(NC(=O)c2oc3ccc(S(=O)(=O)N4CCOCC4)cc3c2C)c1C,CID3244424,,,,,0.0,,,0.0,,,,,,,,0.0,
COc1cccc(NC(=O)c2oc3ccc(S(=O)(=O)N4CCOCC4)cc3c2C)c1,CID4064381,,,,,,,,,,,,,,0.0,,,
ClCCSc1nnc(-c2cccnc2)o1,CID3224074,,,,,,,,,,,,,,0.0,,,
C=CCSc1nnc(-c2cccnc2)o1,CID4920344,,0.0,,0.0,,,,,,,,,,0.0,,,
CCOC(=O)CSc1nnc(-c2cccnc2)o1,CID856150,,,,,,,,,,0.0,,0.0,,,,,
COC(=O)CSc1nnc(-c2cccnc2)o1,CID856149,,,,,,,,,,,0.0,,,,,,
Cc1ccc(OCCCC(=O)Nc2ccc3c(c2)OCO3)cc1,CID1564825,,0.0,0.0,,,,0.0,,,,,,,,,0.0,
Cc1cccc(OCCCC(=O)Nc2ccc3c(c2)OCO3)c1,CID1565214,,,,,,0.0,0.0,0.0,,0.0,0.0,0.0,,,0.0,0.0,
COc1ccc(OCCCC(=O)Nc2ccc3c(c2)OCO3)cc1,CID1568862,,,,,,0.0,,0.0,,,,,,,,0.0,
Cc1ccccc1OCCCC(=O)Nc1ccc2c(c1)OCO2,CID1564271,,,0.0,,,,,,,,0.0,,,,,0.0,
O=S(=O)(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1,CID1108168,,,,,0.0,0.0,,,,,,,,,,,
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1,CID1144952,,,,,0.0,,0.0,,,,,,,,,,
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C,CID989135,,,,,0.0,,,,,,0.0,,,,,,
CCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1,CID1085685,,,,,0.0,,,,,,0.0,,,,,0.0,
CC1=C(C(=O)OC(C)C)C(C)NC(=O)N1,CID647276,,,,0.0,,,,0.0,,0.0,,0.0,,,,,
CCCC1NC(=O)NC(C)=C1C(=O)OCC,CID2817729,,,,,,,,,,0.0,,,,,,,
CCOC(=O)C1=C(C)NC(=O)NC1C,CID603058,,,0.0,0.0,,,,,,0.0,,0.0,,,,,
CCOC(=O)C1=C(C)NC(=O)NC1,CID710693,,,,,,,,,,,,0.0,,,,,
c1ccc(-c2nc(C3CCCCC3)no2)cc1,CID876263,0.0,,0.0,0.0,,,0.0,,,,0.0,,,,,0.0,
COc1ccc(-c2nc(C3CCCCC3)no2)cc1OC,CID768423,0.0,,,,,0.0,,0.0,,,,,0.0,0.0,,,
CCCCOc1ccc(-c2nc(C3CCCCC3)no2)cc1,CID1727885,,,,,,0.0,,,,,,,,,,,
Clc1ccc(-c2nc(C3CCCCC3)no2)cc1,CID741929,,,,,,,,,,,,,,0.0,,,
COC(=O)c1c(N)sc2c1CC(C)(C)OC2,CID974814,,,,,,,,,,,,,,,0.0,,
CCCC1Cc2c(sc(N)c2C#N)CO1,CID2965305,,,,,,,,,,,,,,,0.0,,
CCC(=O)Nc1sc2c(c1C#N)CC(C)(CC)OC2,CID2965288,,,,,,0.0,,,,,,,,,,,
CCC1(C)Cc2c(sc(NC(=O)CCC(=O)O)c2C#N)CO1,CID662904,,0.0,,0.0,,,,,,,,,,,,,
COc1ccc(C2C(C(C)=O)=C(C)N=c3s/c(=C\c4ccco4)c(=O)n32)c(OC)c1,CID3665942,,,,,0.0,,0.0,,,,,,,0.0,,0.0,
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])o3)c(=O)n2C1c1ccc(OCC)cc1,CID5345711,,,,,,0.0,,,,,,,,,,,
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])o3)c(=O)n2C1c1ccc(C)cc1,CID5342106,,,,,,0.0,,,,,,,,,,,
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccco3)c(=O)n2C1c1cccc(OC)c1,CID2879747,0.0,,,,0.0,,,,,,0.0,,,,,0.0,
Cc1ccccc1Cn1cc(S(=O)(=O)CC(=O)N2CCCCC2)c2ccccc21,CID2157626,,,0.0,,,,,,,0.0,,,,,,,0.0
O=C(CS(=O)(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12)N1CCCCC1,CID2157645,,,,,,,,,,,,0.0,,,0.0,,
O=C(CS(=O)(=O)c1cn(Cc2cccc(F)c2)c2ccccc12)N1CCCCC1,CID2053110,,,,,,,0.0,,,,,,,,,,
O=C(CS(=O)(=O)c1cn(Cc2ccc(F)cc2)c2ccccc12)N1CCCCC1,CID2053119,,,0.0,,,,0.0,,,,,,0.0,,,,0.0
CCN(C(=O)CN1CCN(c2ccc(OC)cc2)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,CID2998682,,0.0,0.0,,,,,,,,,,,,,,
CCN(C(=O)CN1CCN(c2ccc(O)cc2)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,CID2124466,,,0.0,,,,,,,,,,,,,0.0,
CCN(C(=O)CN1CCN(c2ccccc2O)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,CID2570267,,,,,,,,,,,,,,0.0,,,
CCN(C(=O)CN1CCN(c2ccccc2)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,CID2089001,,,,,,,,,,,,0.0,0.0,,,,
CC(C)c1ccc(C(=O)CSc2n[nH]c(-c3ccncc3)n2)cc1,CID715448,,,,,,0.0,,,,,0.0,,,,,,
CCc1ccc(C(=O)CSc2n[nH]c(-c3ccncc3)n2)cc1,CID715374,,,,,,,,,,,0.0,,,0.0,,,
Cc1ccc(C)c(C(=O)CSc2n[nH]c(-c3ccncc3)n2)c1,CID735687,0.0,,,0.0,0.0,,0.0,,,,,,,,,0.0,
O=C(CSc1n[nH]c(-c2ccncc2)n1)c1ccccc1,CID648322,,1.0,,,,,0.0,,,,,0.0,0.0,,0.0,0.0,
Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1,CID1354623,,,,,,,,,0.0,,0.0,,,,,,
O=S(=O)(c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)C1,CID1354022,,,,,0.0,,,,,,,,,,,0.0,
Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)C2)cc1,CID4049845,,,,,,0.0,,,,,0.0,,,,,,
CC(C)C1N(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1,CID3243141,,,,,0.0,,,,0.0,,,,0.0,,,0.0,
COc1cc(C(=O)NCCc2cn3ccccc3n2)cc(OC)c1OC,CID5310059,,,0.0,,,,,,,,,,,,,,
COc1cc(C(=O)NCCc2cn3ccc(C)cc3n2)cc(OC)c1OC,CID5310088,,0.0,,,,,,0.0,,,,,,,,,
O=C(NCCc1cn2ccccc2n1)c1ccccc1F,CID3238719,,,0.0,0.0,,,,,,,,,,,,,
COc1ccc(C(=O)NCCc2cn3ccc(C)cc3n2)cc1,CID7150742,,,,,,,,,,,,,,,0.0,,
CC1CCN(S(=O)(=O)c2cc(Br)cc(C(=O)NC3=NCCS3)c2)CC1,CID2088507,,,,,,,,,0.0,,0.0,,,,,0.0,
O=C(NC1=NCCS1)c1cccc(S(=O)(=O)N2CCCCC2)c1,CID2998120,,0.0,,,0.0,0.0,,,0.0,,,,,,,,
COc1ccc(C(=O)NC2=NCCS2)cc1S(=O)(=O)N1CCCCC1C,CID5234541,,,,,,,,,,,,,,,0.0,,
O=C(NC1=NCCS1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1,CID2125281,,,,,,,,,,,,,,,0.0,,
COc1cc2c(cc1OC)CN(S(=O)(=O)c1cccs1)CC2,CID2040409,,,,,,,,,,,,,,0.0,0.0,,
O=S(=O)(c1cccs1)N1CCc2ccccc2C1,CID694184,,,0.0,0.0,,,0.0,,,,,,,,,,0.0
O=S(=O)(c1ccc(Br)s1)N1CCc2ccccc2C1,CID1282336,,,,,,,0.0,,,,,,,,,0.0,
O=S(=O)(c1ccc(Cl)s1)N1CCc2ccccc2C1,CID1228698,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C(=O)CSc2nnc(Cn3nnc4ccccc43)n2C)cc1,CID644912,,,0.0,,0.0,,,,,,,,0.0,,,,
CC(=O)Nc1ccc(C(=O)CSc2nnc(Cn3nnc4ccccc43)n2C)cc1,CID653908,0.0,0.0,0.0,,0.0,,,,,,,,0.0,,0.0,0.0,
Cn1c(Cn2nnc3ccccc32)nnc1SCC(=O)c1ccccc1F,CID1165982,,,,,,,,,0.0,,,,,,,,
Cn1c(Cn2nnc3ccccc32)nnc1SCC(=O)c1ccc(F)cc1,CID654598,0.0,,,,0.0,,,,,,0.0,,,,,,
O=C(NCc1ccccc1F)c1ccc2c(c1)OCO2,CID1246048,,,,,,0.0,,,,,,,,,,,
O=C(NCc1cccc(Cl)c1)c1ccc2c(c1)OCO2,CID1246473,0.0,,0.0,0.0,,,,,,0.0,,,0.0,0.0,,,
CCCOc1ccc(C(CC(=O)O)NC(=O)c2ccc3c(c2)OCO3)cc1,CID3241411,,,,,,,0.0,,,,,,0.0,,,,
CN(Cc1ccccc1)C(=O)c1ccc2c(c1)OCO2,CID654191,,,,,,,0.0,0.0,0.0,0.0,0.0,,,,,,
C=CCn1c(SCC(=O)O)nnc1-c1cccs1,CID699981,,,,,,,,,0.0,,,,,,,,
C=CCn1c(SCC(=O)C(C)(C)C)nnc1-c1cccs1,CID662570,0.0,,0.0,,0.0,,0.0,,,,,,0.0,0.0,0.0,,
CCn1c(SCC(=O)NC(C)C)nnc1-c1cccs1,CID2450517,,,,,,,,,0.0,0.0,,,,,,,
C=CCn1c(SCCC(=O)O)nnc1-c1cccs1,CID2147116,0.0,0.0,,,,,0.0,,0.0,0.0,,,0.0,0.0,,,
Cc1nc(NCC2CCCO2)c2nnn(Cc3ccccc3Cl)c2n1,CID651968,0.0,0.0,,0.0,,,0.0,,,,,,,,,,
c1ccc(Cn2nnc3c(NCC4CCCO4)ncnc32)cc1,CID647273,,0.0,,0.0,,,,,,,,,,,,,
Cc1nc(NCC2CCCO2)c2nnn(Cc3c(F)cccc3Cl)c2n1,CID3229420,,,,,,,,,,,,,,0.0,,,
Cc1nc(NCC2CCCO2)c2nnn(Cc3ccccc3)c2n1,CID652962,,0.0,,0.0,,0.0,,,,,,,,,,,
COC(=O)c1ccn(-c2nc(-c3ccco3)cc(C(F)(F)F)n2)n1,CID4074994,,,,,,,,,,,,,,0.0,,,
O=[N+]([O-])c1cnn(-c2nc(-c3ccco3)cc(C(F)(F)F)n2)c1,CID4074993,,,,,,,,,,,,,,0.0,,,
Cc1cc(C(F)(F)F)nn1-c1nc(-c2ccco2)cc(C(F)(F)F)n1,CID3242789,,,,,,,,,0.0,,,,,,,,
Cc1nn(-c2nc(-c3ccco3)cc(C(F)(F)F)n2)c(C)c1Cl,CID4113977,,,,,,,,,,,,0.0,,,,,
O=C(c1ccc(Cl)cc1[N+](=O)[O-])N(Cc1ccccc1)Cc1ccccc1,CID1370948,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1[N+](=O)[O-],CID1379142,,,,,,0.0,,,,,,,,,,,
O=C(O)c1ccccc1C(=O)N(Cc1ccccc1)Cc1ccccc1,CID272861,,,,,,,,,0.0,,0.0,,,,,,
Nc1ccccc1C(=O)N(Cc1ccccc1)Cc1ccccc1,CID899812,,,,,,,,,,,0.0,0.0,,,,,
COc1cc(-c2nn3c(COc4ccccc4)nnc3s2)cc(OC)c1OC,CID662989,0.0,,0.0,,,,,,,0.0,,,,,,,0.0
Clc1ccccc1-c1nn2c(COc3ccccc3)nnc2s1,CID938529,,,,0.0,0.0,,,,,,,,,,,,0.0
COc1ccc(-c2nn3c(COc4ccccc4)nnc3s2)cc1OC,CID663147,0.0,,0.0,,,,,0.0,,,0.0,,,0.0,,,
Clc1cccc(-c2nn3c(COc4ccccc4)nnc3s2)c1,CID662726,0.0,0.0,0.0,,0.0,0.0,0.0,,,,,,,,,,0.0
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)C2c2ccc(OC(C)C)cc2)o1,CID663879,0.0,,,,0.0,,0.0,0.0,0.0,0.0,,,,,,,
CCOc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCn2ccnc2)cc1,CID2918378,0.0,,,,,,0.0,0.0,0.0,,,,0.0,,,,0.0
CCCOc1ccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCCn2ccnc2)cc1,CID2950328,,,0.0,,0.0,,0.0,,0.0,,,,,,,,
CCCOc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCn2ccnc2)cc1,CID662131,,,,,,0.0,,,,,0.0,0.0,0.0,,,,
COc1ccc(OC)c(CNC(=O)CCNC(=O)Cn2ccc3ccccc3c2=O)c1,CID3241084,,,,,,0.0,0.0,,,,,,,0.0,,,
COc1ccc(Br)cc1CNC(=O)CCNC(=O)Cn1ccc2ccccc2c1=O,CID16193226,,,,,,,,,,,,,,,0.0,,
COc1cccc(CNC(=O)CCNC(=O)Cn2ccc3ccccc3c2=O)c1,CID11957273,,,,,,0.0,,,,,,,,,,,
COc1ccccc1CNC(=O)CCNC(=O)Cn1ccc2ccccc2c1=O,CID3238638,,,0.0,,,,0.0,,,,,,,,,,
Cc1nc([N+](=O)[O-])nn1C12CC3CC(CC(Br)(C3)C1)C2,CID2857154,,,,,,,,,,,,0.0,,,,,
O=C(O)C12CC3CC(C1)CC(n1cnc(Cl)n1)(C3)C2,CID601625,,,,0.0,,,,,,,,0.0,,,,,
Clc1ncn(C23CC4CC(CC(C4)C2)C3)n1,CID660037,,0.0,0.0,,,0.0,,,,0.0,,,,,,,0.0
Nc1ncn(C23CC4CC(CC(C4)C2)C3)n1,CID2841020,,,,,,,,,,,,0.0,,0.0,,,
COc1ccc2ccccc2c1CN1CCCC(CO)C1,CID3589929,,0.0,,,,,,,,,,,0.0,,,,
CC1CCN(Cc2c(O)ccc3ccccc23)CC1,CID755868,,,,,,0.0,,,,,,,,,,,
OC1CCCN(Cc2cccc3ccccc23)C1,CID2837989,,,,,,,,0.0,,,,,,,,,
CCOC(=O)C1CCN(Cc2c(O)ccc3ccccc23)CC1,CID695106,0.0,,,0.0,,,,,,,,0.0,,,,,0.0
COCCn1ccc(=O)c(Cc2ccccc2)c1O,CID3791815,,,,,,,,,,,,,,,0.0,,
CCCCn1ccc(=O)c(Cc2ccc(F)cc2)c1O,CID2765815,,,,,,,,,,,,0.0,,,,,
CCCn1ccc(=O)c(Cc2ccc(Cl)cc2)c1O,CID1479881,,,,,,,,,,,,,,0.0,,,
COCCn1ccc(=O)c(Cc2ccc(Cl)cc2)c1O,CID2765832,,,,,,,,,,,,,,0.0,,,
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)C2c2ccccc2)s1,CID661060,,,,,,,,0.0,,,,,0.0,,,,
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)C2c2ccc(Cl)cc2)s1,CID661255,0.0,,,0.0,0.0,,0.0,,0.0,,0.0,0.0,,,,,0.0
COc1ccc(C2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCCn2ccnc2)cc1,CID665656,,,0.0,0.0,,,,0.0,,0.0,,,,,,0.0,0.0
COc1ccc(C2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCCn2ccnc2)cc1OC,CID3764185,,,,,,0.0,,,,,0.0,,,,,,
Cc1oc(=O)c(NC(=O)c2cccc(Cl)c2)cc1C(=O)c1ccccc1,CID1483052,,,,,,0.0,,,,,,,,,,,
Cc1oc(=O)c(NC(=O)c2ccc(Cl)cc2)cc1C(=O)c1ccccc1,CID1473623,,,,,,,,,,,,0.0,,0.0,,,
COc1ccc(C(=O)Nc2cc(C(=O)c3ccccc3)c(C)oc2=O)cc1,CID1473622,,,,,,0.0,,,,,,,,,,,
Cc1oc(=O)c(NC(=O)c2ccccc2)cc1C(=O)c1ccccc1,CID2737848,,,,,,,,,,,,,,0.0,,,
O=C(Cc1ccccc1)OCn1nnc2ccccc2c1=O,CID3240226,,0.0,,,,,,0.0,0.0,,,,,,,,0.0
COc1ccc(CC(=O)OCn2nnc3ccccc3c2=O)cc1,CID2377604,,0.0,0.0,,,,,,,,,0.0,0.0,,0.0,,
COc1cc(CC(=O)OCn2nnc3ccccc3c2=O)cc(OC)c1OC,CID2371714,,,,,,,,,,,,,,,0.0,,
Cc1cccc(CC(=O)OCn2nnc3ccccc3c2=O)c1,CID4190546,,,,,,,,,,,,0.0,,,,,
Cc1ccc(OCCn2c(=O)sc3ccccc32)cc1,CID1093136,,,,,,,,,,0.0,,,,,0.0,,
Cc1cccc(OCCn2c(=O)sc3ccccc32)c1,CID1093135,,,,,,,,,,0.0,,,,,,,
O=c1sc2ccccc2n1CCOc1ccccc1,CID644526,,,,,0.0,0.0,,,,0.0,,,,,,,
COc1ccccc1OCCn1c(=O)sc2ccccc21,CID656169,,,,,,,0.0,,,0.0,,,0.0,0.0,,,
CCOC(=O)c1c(NC(=O)CSc2nnc(CNc3ccc(F)cc3)o2)sc(C)c1C,CID649770,,0.0,,,0.0,,,,,0.0,0.0,,,0.0,0.0,,
CCOC(=O)c1c(NC(=O)CSc2nnc(CNc3ccc(F)cc3)o2)sc(C(C)=O)c1C,CID648650,,,,0.0,0.0,,,,,,,,,,,0.0,
CCOC(=O)c1c(NC(=O)CSc2nnc(CNc3ccc(C)cc3C)o2)sc(C)c1C,CID3167588,,,,,,,,,0.0,0.0,,,,,,,
COC(=O)c1c(NC(=O)CSc2nnc(CNc3ccc(Cl)cc3)o2)sc(C)c1C,CID3177866,,,,,,,,,0.0,,0.0,,,,0.0,,
Cc1cc(N2CCOCC2)nc2ccc(NC(=O)CCC(=O)N3CCC(C)CC3)cc12,CID3239456,0.0,,,,,0.0,,,,,,0.0,,,,0.0,
Cc1cc(N2CCOCC2)nc2ccc(NC(=O)CCC(=O)N3CCCC(C)C3)cc12,CID3237399,0.0,,,,,,,0.0,,,,0.0,,,,,
CCOC(=O)C1CCCN(C(=O)CCC(=O)Nc2ccc3nc(N4CCOCC4)cc(C)c3c2)C1,CID3238008,0.0,,,,,,0.0,,0.0,,0.0,0.0,0.0,,,,
Cc1cc(N2CCOCC2)nc2ccc(NC(=O)CCC(=O)N3CCCCC3)cc12,CID3236035,0.0,,,,,,,,,,,0.0,0.0,,,,
O=S(=O)(c1ccc(Cl)cc1)N1CCC(n2cnc3cc(C(F)(F)F)ccc32)CC1,CID1469444,,,,,,,,,,,,0.0,,,,,
COc1ccc(S(=O)(=O)N2CCC(n3cnc4cc(C(F)(F)F)ccc43)CC2)cc1,CID647274,0.0,,,,0.0,,,,,,,,0.0,,,,0.0
Cc1nc2cc(F)ccc2n1C1CCN(S(=O)(=O)c2ccccc2)CC1,CID646820,0.0,,,,0.0,,0.0,0.0,,,0.0,,0.0,,,0.0,0.0
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(n3cnc4cc(F)ccc43)CC2)cc1,CID656283,0.0,,0.0,,0.0,,,0.0,,,,,,,,,
CC1CCN(CC(=O)Nc2sc3c(c2C#N)CCC3)CC1,CID730298,,0.0,,,0.0,,,0.0,,,0.0,,0.0,,,0.0,0.0
CC1CCCCN1CC(=O)Nc1sc2c(c1C#N)CCC2,CID2997581,,,,0.0,,,,,,,,,,,,,
N#Cc1c(NC(=O)CN2CCCCC2)sc2c1CCC2,CID705148,,0.0,,,0.0,,,,,,0.0,,,,,,0.0
COC(=O)C1CCN(CC(=O)Nc2sc3c(c2C#N)CCC3)CC1,CID2569947,,,,,,,,,0.0,,,0.0,,,,,
Cc1ccccc1OCc1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)n1C,CID649425,0.0,,,,0.0,0.0,0.0,,,,0.0,,,,,0.0,0.0
Cn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc2c(c1)OCO2,CID1160733,0.0,0.0,0.0,,0.0,0.0,,,,,0.0,,0.0,,,0.0,
Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)n2C)cc1,CID651696,0.0,,,,0.0,,,,,,0.0,,,,,0.0,0.0
CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc2c(c1)OCO2,CID665416,0.0,0.0,0.0,0.0,0.0,0.0,,,0.0,,0.0,0.0,0.0,,,,0.0
COc1ccc(Oc2c(C=O)c3ccccc3n2C)cc1,CID2763802,,,,,,,,,,,,,,0.0,,,
Cn1c(Oc2ccccc2)c(C=O)c2ccccc21,CID2763803,,,,,,,,,,,,,,0.0,,,
Cn1c(Oc2ccc(Cl)cc2)c(C=O)c2ccccc21,CID2763801,,,,,,0.0,,,,,,,,,,,
Cc1cccc(Oc2c(C=O)c3ccccc3n2C)c1,CID2763805,,,,,,0.0,,,,,,,,0.0,,,
Cc1ccccc1OCc1nc(-c2ccc(Br)o2)no1,CID718814,,,,,,,,,0.0,,0.0,0.0,,,0.0,,
Clc1ccccc1OCc1nc(-c2ccc(Br)o2)no1,CID1520366,,,,,,,,,,,0.0,,,,,,
Fc1ccc(OCc2nc(-c3ccc(Br)o3)no2)c(F)c1,CID1520648,0.0,,,,,,,,0.0,,,,,,,,
Cc1cccc(OCc2nc(-c3ccc(Br)o3)no2)c1,CID1502900,,,,,,,,,,,,,,,0.0,,
CSc1cc(-c2ccccc2)n(Cc2ccc(Cl)cc2)c(=O)c1C#N,CID1476671,,,,,,,,,,0.0,,,,,,,
CSc1cc(-c2ccccc2)n(Cc2ccccc2Cl)c(=O)c1C#N,CID1476702,,,,,,,,,,0.0,,,,,,,
CSc1cc(-c2ccccc2)n(Cc2ccc(Cl)cc2Cl)c(=O)c1C#N,CID4269829,,,,,,,,,,,,,,,0.0,,
CSc1cc(-c2ccc(Cl)cc2)n(Cc2ccccc2)c(=O)c1C#N,CID1476696,,,,,,0.0,,,,0.0,,,,,0.0,,
CCC(C)c1ccccc1NC(=O)COC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1,CID4365273,,,,,,,,,,,,,,,0.0,,
COC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1,CID2998668,,,,,,0.0,0.0,0.0,0.0,,,,,,,,0.0
Cc1ccc(C(=O)OCC(=O)Nc2ccc(N(C)C)cc2)cc1NC(=O)c1ccco1,CID2388115,,,,,,,,,,,,0.0,,,,,
Cc1ccc(C(=O)OCC(=O)Nc2ccccc2)cc1NC(=O)c1ccco1,CID2113938,0.0,,,,,0.0,,0.0,0.0,0.0,,,,,,,
Cc1ccc2c(c1)N=C(c1ccc(Cl)cc1)CO2,CID1489662,,,,,,,,,,0.0,,,,,,,
COc1ccc(C2=Nc3cc(C)ccc3OC2)cc1,CID1489664,,,,,,,,,,,0.0,,,,,,
O=[N+]([O-])c1ccc(C2=Nc3cc(Cl)ccc3OC2)cc1,CID1489679,,,,,,,,,,,,,,0.0,,,
COc1ccc(C2=Nc3ccccc3OC2)cc1,CID1481803,,,,,,,,,,,0.0,,,,,,
COc1ccc2[nH]c(=O)c(CN(Cc3ccc(C)cc3)Cc3nnnn3CC3CCCO3)cc2c1,CID656258,,,,,,,0.0,,,,,,,,,0.0,
COc1ccccc1CN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)Cc1nnnn1CC1CCCO1,CID655183,,,,,,,0.0,,,0.0,,0.0,,,,0.0,
COc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)Cc3nnnn3CC3CCCO3)cc2c1,CID648431,,,,,,,,,,0.0,,,,,,,
COc1ccc2[nH]c(=O)c(CN(Cc3ccccc3OC)Cc3nnnn3CC3CCCO3)cc2c1,CID652266,,,,,,,0.0,,,,,,,,0.0,,
[O-]/[N+](=C/c1ccc(F)cc1)c1ccccc1,CID1575611,0.0,,,0.0,,,,,,,,,0.0,,,,
[O-]/[N+](=C\c1ccc(OC(F)F)cc1)c1ccccc1,CID702440,,,,0.0,,,,,,,,0.0,,,,,
[O-]/[N+](=C\c1ccc(F)cc1)c1ccccc1,CID699581,,,,,,,,,0.0,,,,,,,,
[O-]/[N+](=C\c1cccc(Br)c1)c1ccccc1,CID699586,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C1=C(C)OC(N)=C(C(=O)OCC)C1c1ccncc1,CID2837570,,,,,,0.0,,0.0,,,,,,,,,
COC(=O)CC1=C(C(=O)OC)C(c2ccncc2)C(C#N)=C(N)O1,CID658352,,,0.0,,,,,0.0,,,,,,,,,
CC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccncc1,CID660976,,0.0,,,,,0.0,0.0,,,,,,,,0.0,
CCOC(=O)CC1=C(C(=O)OCC)C(c2ccncc2)C(C#N)=C(N)O1,CID2866167,,,0.0,,,,,,,,,,0.0,,,,0.0
CC1CN=C(N(C(=O)Nc2ccccc2)c2ccc(F)cc2)S1,CID2817471,,,,,,0.0,,,,,,,,,,,
Cc1ccc(NC(=O)N(C2=NCC(C)S2)c2ccccc2)cc1,CID657857,,,,,,,0.0,,,,0.0,,,,,0.0,
Cc1ccc(N(C(=O)Nc2ccccc2)C2=NCC(C)S2)cc1,CID657999,,,0.0,0.0,,,0.0,,,,0.0,,,,,0.0,
Cc1cccc(N(C(=O)Nc2ccccc2)C2=NCC(C)S2)c1,CID562427,,,0.0,,,,0.0,0.0,,,0.0,,0.0,,,,
Cc1cccn2c(=O)c3cc(C#N)c(=N)n(CC4CCCO4)c3nc12,CID2928733,,,,,,,,,,0.0,0.0,,,,,,
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC2CCCO2)/c1=N/C(C)=O,CID3238329,,,,,,,,0.0,,,,,0.0,,,,
Cc1ccc2nc3c(cc(C#N)c(=N)n3CC3CCCO3)c(=O)n2c1,CID655442,,,0.0,,,,,,,,,,,,,,
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CC2CCCO2)/c1=N/C(C)=O,CID664713,,,,,,,0.0,0.0,,,,,,,,,
COc1ccc(NC(=O)N2CCCC(c3nc(-c4ccc(C(C)C)cc4)no3)C2)cc1,CID645375,0.0,0.0,,,,0.0,,,,0.0,0.0,0.0,0.0,,0.0,,0.0
O=C(Nc1ccccc1)N1CCCC(c2nc(-c3ccc(F)cc3)no2)C1,CID3225915,,,,,,,,,,0.0,,0.0,,,,,
Cc1ccccc1NC(=O)N1CCCC(c2nc(-c3ccc(F)cc3)no2)C1,CID649114,0.0,,0.0,,,0.0,,,,,,0.0,,,,,
Cc1ccccc1NC(=O)N1CCCC(c2nc(-c3ccc(C(C)C)cc3)no2)C1,CID655381,0.0,,1.0,,,,,,,,,0.0,0.0,,,,0.0
O=C(Nc1ccccc1)Nc1nnc(-c2ccccc2)o1,CID2127532,,,,,,,,,,,,0.0,,,,,
O=C(Nc1cccc(Cl)c1)Nc1nnc(-c2ccccc2)o1,CID2127536,,,,,,,,,,0.0,,0.0,,,,,
Cc1ccc(NC(=O)Nc2nnc(-c3ccccc3)o2)cc1,CID2127580,,,,,,,,,,,,,,,0.0,,
O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)Nc1ccccc1Cl,CID2127565,,,,,,0.0,,,,,,0.0,,,,,
NC(=O)c1cc(-c2ccccc2)nc(N2CCOCC2)n1,CID661342,,0.0,0.0,,,,0.0,0.0,,,,0.0,,,0.0,,
COc1ccccc1-c1cc(C(F)(F)F)nc(N2CCOCC2)n1,CID2989573,,,,,0.0,,,,,,,,,,,,
COc1cccc(-c2cc(C(F)(F)F)nc(N3CCOCC3)n2)c1,CID2052768,,,,,0.0,,,,,,,,,,,0.0,0.0
COc1ccc(-c2cc(C(F)(F)F)nc(N3CCOCC3)n2)cc1OC,CID2992168,,,,,0.0,,,,,,,,,,,,0.0
Cc1cccn2c(=O)c(/C=N/O)c(N3CCCCC3)nc12,CID764569,,0.0,,0.0,,0.0,,,,,,,,0.0,,0.0,
CC1CCN(c2nc3ccccn3c(=O)c2C=O)CC1,CID794782,,,,,,,,,,,,,,,0.0,,
Cc1cccn2c(=O)c(C=O)c(N3CCCCC3)nc12,CID723067,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccc2nc(N3CCCCC3)c(C=O)c(=O)n2c1,CID909832,,,,,,,,,,,,,,0.0,0.0,,
CCCCOC(=O)C1C2C=CC3(CN(CCc4ccccc4)C(=O)C13)O2,CID5389779,,,0.0,,,,,0.0,,,,,,,,,
COC(=O)C1C2C=CC3(CN(CCc4ccccc4)C(=O)C13)O2,CID653686,,,,,,,,,,0.0,,,,,,,
CCOC(=O)C1C2C=CC3(CN(CCc4ccccc4)C(=O)C13)O2,CID653301,,,,,,,,,,,,0.0,,,,,0.0
CCCOC(=O)C1C2C=CC3(CN(CCc4ccccc4)C(=O)C13)O2,CID5389889,,,,,,,,,,,0.0,,,,,,
COc1cccc(NC(=O)CSc2nnc3cc(C)nc(N)n23)c1,CID1434102,,,,,,,,,,,,,,,0.0,,
CCc1c(C)nc(N)n2c(SCC(=O)Nc3ccccc3OC)nnc12,CID644698,,0.0,0.0,,,,,,,0.0,,,0.0,,,0.0,
CCc1c(C)nc(N)n2c(SCC(=O)Nc3ccccc3)nnc12,CID1434077,,,,,,,,,,0.0,,,,,0.0,,
CCOc1ccccc1NC(=O)CSc1nnc2c(CC)c(C)nc(N)n12,CID648934,,,,0.0,,,,0.0,,,,,,,0.0,0.0,
Cc1ccc(-c2csc(NC(=O)Cc3cccs3)n2)cc1C,CID2442472,,,,,,,,,,0.0,,,,0.0,,,
O=C(Cc1cccs1)Nc1nc(-c2ccccc2)cs1,CID651443,,,0.0,,0.0,,0.0,,,,,,0.0,,,,0.0
COc1ccc(OC)c(-c2csc(NC(=O)Cc3cccs3)n2)c1,CID2114184,,,,,,,,,,,,,,0.0,0.0,,
CCCc1ccc(-c2csc(NC(=O)Cc3cccs3)n2)cc1,CID2441134,,,,,,0.0,,,,0.0,0.0,0.0,,0.0,,,
CC1CC(C)CN(CC(C)(C)NS(=O)(=O)c2ccc(Cl)cc2)C1,CID5121980,,,,,,,,,,,,0.0,,,,,
CC(C)(CN1CCCCC1)NS(=O)(=O)c1ccc(Cl)cc1,CID786532,,0.0,0.0,0.0,0.0,,,,,0.0,,,,,,,0.0
CC1CC(C)CN(CC(C)(C)NS(=O)(=O)c2ccccc2)C1,CID2997897,,0.0,,,,0.0,,0.0,,,,0.0,,0.0,,,
CC(C)(CNS(=O)(=O)c1ccc(Cl)cc1)N1CCCCC1,CID2325556,0.0,,0.0,0.0,0.0,,,,,,0.0,,,,,,0.0
CCn1c(-c2ccoc2C)n[nH]c1=S,CID756798,,,,,,,,,,,,0.0,,,,,
C=CCn1c(-c2ccoc2)n[nH]c1=S,CID723710,,0.0,,0.0,,,,,,0.0,,,,,,,0.0
Cc1occc1-c1n[nH]c(=S)n1CC(C)C,CID843941,,,,,,,,,,0.0,0.0,,,,,,
CCCCn1c(-c2ccoc2C)n[nH]c1=S,CID1768039,,,,,,,,,,,,,,,0.0,,
CCCn1c(O)c(C(=O)Nc2nc(C)cs2)c(=O)c2c1CCCC2,CID660424,,0.0,,0.0,0.0,,,,0.0,,,,,0.0,,0.0,
CC(C)Cn1c(O)c(C(=O)Nc2nccs2)c(=O)c2c1CCCC2,CID650347,,0.0,,,0.0,,0.0,,,,,,,0.0,,0.0,
CCCn1c(O)c(C(=O)Nc2nccs2)c(=O)c2c1CCCC2,CID660822,,,,0.0,0.0,,,,0.0,,,,,,,,
Cc1csc(NC(=O)c2c(O)n(CC(C)C)c3c(c2=O)CCCC3)n1,CID654832,,,0.0,0.0,,,,,,,,,,0.0,,0.0,
COc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1,CID662865,,,,,,0.0,,,,,,,,,,,0.0
CC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccco2)cc1,CID1988485,,,,,,0.0,,,,,0.0,,,,,,
COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1,CID662806,,0.0,,,,,,,,,,,0.0,,,0.0,0.0
CCOc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1,CID663339,,,0.0,,0.0,0.0,0.0,,,,,,,,,0.0,0.0
Cc1cc(NCCN2CCOCC2)n2nc(C)c(-c3ccccc3)c2n1,CID665572,,0.0,0.0,,,,,,,,0.0,0.0,,,,,0.0
Cc1cc(NCCN2CCOCC2)n2ncc(-c3ccccc3)c2n1,CID665651,0.0,0.0,,0.0,,,,,,,0.0,,,,,,0.0
Cc1cc(NCCN2CCOCC2)n2ncc(-c3ccc(Cl)cc3)c2n1,CID667175,0.0,,0.0,,,,0.0,,,,,,,,,,0.0
Cc1cc(NCCN2CCOCC2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1,CID665379,0.0,0.0,,,,,,,,,0.0,,,,,0.0,0.0
COc1cccc(CNc2nn[nH]n2)c1OC,CID834328,,,0.0,0.0,,,,,0.0,,,0.0,,,,,
COc1ccc(CNc2nn[nH]n2)cc1OC,CID592205,,,,,,,,,0.0,,0.0,0.0,,,,,
C=CCOc1ccc(CNc2nn[nH]n2)cc1,CID655020,,0.0,,0.0,,0.0,,,,,,0.0,,,0.0,,
C=CCOc1ccc(CNc2nn[nH]n2)cc1OC,CID2219224,,,,,,,,,,,,,,,0.0,,
CC(=O)c1ccc(Cc2cnc(N)s2)cc1,CID2145539,,,0.0,,0.0,,,0.0,,,,0.0,,,,,0.0
N#CCC(=O)Nc1ncc(Cc2ccccc2Cl)s1,CID2068778,,,,,,,,,,,,,,,0.0,,
CC(=O)Nc1ncc(Cc2cccc(Cl)c2)s1,CID726201,,,,,,,,,,,,,,0.0,,,
CC(C)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1,CID1242878,,,,,,,,,,,,,,0.0,,,
COc1ccc(OC)c(NC(=O)C2CCC(CNc3c(N4CCC(C)CC4)c(=O)c3=O)CC2)c1,CID5309259,0.0,,,,,,,,,,,0.0,,,,,
COc1cc(NC(=O)C2CCC(CNc3c(N4CCC(C)CC4)c(=O)c3=O)CC2)cc(OC)c1,CID9550435,,,,,,0.0,,,,,,,,,,,
COc1cc(NC(=O)C2CCC(CNc3c(N4CCCCC4)c(=O)c3=O)CC2)cc(OC)c1,CID5309374,0.0,,0.0,0.0,,,,,,,,,,,,,
COc1ccc(NC(=O)C2CCC(CNc3c(N4CCC(C)CC4)c(=O)c3=O)CC2)cc1OC,CID9551273,,,,,,,,,,,,,,,0.0,,
O=C(NCCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1,CID653335,,,,0.0,0.0,,,,0.0,,0.0,,,,,,
COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(-n4cnnn4)cc3)CC2)cc1OC,CID3195562,,,,,,,,,,,0.0,,,,,,
Cc1ccccc1CCNC(=O)C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1,CID646629,0.0,0.0,,,,,,,,,,,,,,0.0,0.0
O=C(NCCc1ccccc1)C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1,CID654911,0.0,,,,0.0,,,,,,0.0,,,,,,0.0
O=C(Nc1ccc2c(c1)OCO2)C1CC(c2ccccc2Cl)=NO1,CID2975044,0.0,,,,,,,,,,0.0,,,,,,
O=C(Nc1ccc2c(c1)OCO2)C1CC(c2ccc(F)cc2)=NO1,CID9551502,,,,,,,,,,0.0,,,,,,,
COc1cc(OC)c(C2=NOC(C(=O)Nc3ccc4c(c3)OCO4)C2)cc1Cl,CID2974245,,,,,,,,,,,,,,0.0,,,
O=C(Nc1ccc2c(c1)OCO2)C1CC(c2c(F)cccc2Cl)=NO1,CID2962177,,,,,,0.0,,,,,,,0.0,,,0.0,0.0
COc1ccc(C2C3=C(CC(C)(C)CC3=O)Oc3ncn(CC(C)C)c(=N)c32)cc1,CID664974,,,0.0,,0.0,0.0,,0.0,,,,,,,,,
CC1(C)CC(=O)C2=C(C1)Oc1ncn(CCO)c(=N)c1C2c1ccccc1,CID664739,,,0.0,,0.0,,,,,,,,,,,,
CC1(C)CC(=O)C2=C(C1)Oc1ncn(CCCO)c(=N)c1C2c1ccccc1,CID664018,,,,,0.0,0.0,,0.0,,,,,,,,,
COc1ccc(C2C3=C(CC(C)(C)CC3=O)Oc3ncn(CCO)c(=N)c32)cc1OC,CID663490,,,0.0,0.0,,,0.0,,,,,,0.0,,,,
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCc1ccccn1,CID1240569,0.0,,,,,,,,,,,,,,,,
Cc1onc(-c2ccccc2)c1C(=O)NCc1ccccn1,CID700862,,0.0,,,,,,0.0,,,,0.0,,,0.0,,
Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccccn1,CID749183,,0.0,,0.0,,,0.0,,,,,,0.0,0.0,0.0,0.0,
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccccn1,CID702091,0.0,,,,,,,,,,,,0.0,,,,0.0
O=C(COc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1,CID1010634,0.0,0.0,,0.0,0.0,,,,,,,,,0.0,,,
CCc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c(Br)c1,CID1015113,,,,,,,,,0.0,,,,,,,,
Cc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1,CID1144627,0.0,,,0.0,0.0,,0.0,,,0.0,,,0.0,,,,
O=C(COc1cccc(C(F)(F)F)c1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1,CID1245459,0.0,,,,0.0,,,,,,,,,,,,0.0
COc1cc(OC)cc(C(=O)Nc2ncc3c(n2)CC(C)(C)CC3=O)c1,CID664509,,,,,,0.0,,,0.0,,,,0.0,,,0.0,
COc1cc(OC)cc(C(=O)Nc2ncc3c(n2)CC(C)CC3=O)c1,CID665730,,0.0,,,0.0,0.0,,,,,,,0.0,,,,
COc1cccc(C(=O)Nc2ncc3c(n2)CC(C)CC3=O)c1,CID665739,,0.0,,0.0,0.0,,,,0.0,,,,0.0,,,,
COc1cccc(C(=O)Nc2ncc3c(n2)CC(C)(C)CC3=O)c1,CID664772,,0.0,,,0.0,,,0.0,0.0,,,,,,,,0.0
COc1ccccc1CNC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1,CID2997764,,,,,0.0,,,,,0.0,,,0.0,,,,0.0
O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)NCc1ccc(Cl)cc1,CID2433615,,,,,,0.0,,,,,,0.0,,,0.0,,
O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)NCc1ccc(F)cc1,CID2106270,,,,,,,,,,,0.0,,,0.0,,,
O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)NCc1ccccc1,CID2346668,,,0.0,,,,,0.0,,0.0,,,0.0,,,0.0,
COc1ccc(-c2cc(C(=O)N3CCCc4ccccc43)no2)cc1OC,CID3238310,0.0,,,,,,,0.0,0.0,0.0,,,,,,,0.0
COc1ccc(-c2cc(C(=O)N3CCCc4ccccc43)no2)cc1,CID3242444,0.0,,,,,0.0,,0.0,,,,,,,0.0,,
COc1cccc(-c2cc(C(=O)N3CCCc4ccccc43)no2)c1,CID3239995,0.0,,0.0,,,,0.0,0.0,,,,0.0,,0.0,,,0.0
COc1ccc(OC)c(-c2cc(C(=O)N3CCCc4ccccc43)no2)c1,CID3242479,0.0,,,,,,,,0.0,,,,,,,,
CCOC(=O)c1nn(-c2ccccc2F)c(-c2ccccc2)c1C(=O)c1ccccc1,CID1234270,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1nn(-c2cccc(OC)c2)c(-c2ccccc2)c1C(=O)c1ccccc1,CID1234268,,,,,,0.0,,,,,,,,0.0,,,
CCOC(=O)c1nn(-c2ccccc2)c(-c2ccccc2)c1C(=O)c1ccccc1,CID1234269,,,,,,0.0,,,,,,,,,,,
COC(=O)c1nn(-c2ccccc2)c(-c2ccccc2)c1C(=O)c1ccccc1,CID1042628,,,,,,,,,,,,,,0.0,,,
Cc1ccc2[nH]c(O)c(Cc3ccccc3)c(=O)c2c1,CID977814,,,,,,,,,,,,,,0.0,,,
CCCn1c(O)c(Cc2ccccc2)c(=O)c2ccccc21,CID657711,,,0.0,,,,0.0,0.0,,0.0,0.0,,,,,0.0,
Cn1c(O)c(Cc2ccccc2)c(=O)c2ccccc21,CID2785034,,,,,,,,,0.0,0.0,0.0,,,,,,
CCCCn1c(O)c(Cc2ccccc2)c(=O)c2ccccc21,CID1712581,,,,,,,0.0,,,,0.0,,,,,,
CCC(CC)C1C(C#N)=C(N)Oc2n[nH]c(-c3ccccc3)c21,CID2881140,,,,,,,,,0.0,,,,,0.0,,,
CCC(C)C1C(C#N)=C(N)Oc2n[nH]c(-c3ccccc3)c21,CID2881806,,,,0.0,,,0.0,0.0,,,,,,,,0.0,
CC(C)CC1C(C#N)=C(N)Oc2n[nH]c(-c3ccccc3)c21,CID2881667,,,,,,,,,0.0,,,,,,,,
CC(C)C1C(C#N)=C(N)Oc2n[nH]c(-c3ccccc3)c21,CID2881578,,0.0,0.0,,,,,,,,0.0,,,,,1.0,
COc1ccc(N2C(=O)CC(N3CCN(C4CCc5ccccc5C4)CC3)C2=O)cc1,CID2927499,,,0.0,0.0,0.0,,0.0,0.0,0.0,0.0,,,0.0,,,,
Cc1ccc(N2C(=O)CC(N3CCN(C4CCc5ccccc5C4)CC3)C2=O)cc1,CID2927784,0.0,,0.0,0.0,0.0,,,0.0,,0.0,,,,,0.0,,
O=C1CC(N2CCN(C3CCc4ccccc4C3)CC2)C(=O)N1c1ccccc1,CID2928066,0.0,,0.0,,,,0.0,0.0,,,0.0,,,,,,
CCOc1ccc(N2C(=O)CC(N3CCN(C4CCc5ccccc5C4)CC3)C2=O)cc1,CID2929224,0.0,,0.0,,0.0,,,,,,,,,,0.0,,
CCCn1nc(-c2ccccc2)c2nc3ccccc3nc21,CID664831,,0.0,,,,,0.0,0.0,,,,0.0,,,,,
CCCCn1nc(-c2ccccc2)c2nc3ccccc3nc21,CID2036162,,,,,,1.0,,,,,,,,,,,
Cn1nc(-c2ccccc2)c2nc3ccccc3nc21,CID664134,,,,,,0.0,0.0,,,,,0.0,,,,,
CCn1nc(-c2ccccc2)c2nc3ccccc3nc21,CID665240,,,,,,,0.0,0.0,,,,,,,,,
CCOC(=O)c1sc2ncc(C(=O)c3ccccc3O)cc2c1C,CID2456142,,,,,,,,,,,,,,0.0,0.0,,
CCOC(=O)c1sc2ncc(C(=O)c3cc(Cl)cc(Cl)c3O)cc2c1C,CID2095794,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1sc2ncc(C(=O)c3cc(OC)ccc3O)cc2c1C,CID2421275,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1sc2ncc(C(=O)c3cc(C)ccc3O)cc2c1C,CID2098056,,,,,,,,,,,,,,0.0,,,
Cc1cc(OCC(=O)NC2CCN(C)CC2)ccc1[N+](=O)[O-],CID1247565,,,,,,,,,,,,,,,0.0,,
COc1ccc(OCC(=O)NC2CC(C)(C)NC(C)(C)C2)cc1,CID748750,0.0,,,0.0,,,,,,0.0,,,,,,,
CC(Oc1ccccc1)C(=O)NC1CC(C)(C)NC(C)(C)C1,CID2897921,0.0,0.0,0.0,,,,,,,0.0,,,,,,,
COc1ccc(OC(C)C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1,CID2952513,0.0,0.0,,0.0,,,,0.0,,,,,0.0,,,,
CC(=O)c1cc2c(cc1NC(=O)c1c(-c3ccccc3)noc1C)OCO2,CID2579841,,,,,,,,,,,,0.0,,0.0,,,
Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc2c(c1)OCO2,CID1119211,0.0,,,0.0,,0.0,,,,,,,0.0,,0.0,,0.0
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc2c(c1)OCO2,CID1022785,0.0,,,,,,0.0,,,,,,,,0.0,,
Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc2c(c1)OCO2,CID690908,0.0,,,,,,0.0,0.0,0.0,,,,,0.0,,,
Cc1ccc(Nc2nc(N)nc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)cc1,CID1258161,,,,,,,,,,,0.0,,0.0,,,,
Cc1ccc(Nc2nc(N)nc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)c(C)c1,CID666302,,,,,,,,,,,0.0,,,,,0.0,
Nc1nc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)nc(Nc2ccccc2)n1,CID667103,,0.0,0.0,,,,,,,,,,,,,0.0,0.0
Cc1cccc(Nc2nc(N)nc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)c1,CID666821,,,0.0,0.0,,,,,,,,0.0,,,,0.0,
COc1ccc(OC)c2c(C)cc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)nc12,CID1252133,,,,,,,,,,,0.0,,,,,,
COc1ccc(OC)c2c(C)cc(N3CCN(C(=O)c4ccc(F)cc4)CC3)nc12,CID1257387,,,,,,,,,,,,0.0,0.0,,,,
COc1ccccc1C(=O)N1CCN(c2nc3cc(C)c(C)cc3cc2C#N)CC1,CID649452,0.0,0.0,,0.0,,,,,,,,,0.0,,0.0,,
COc1ccc(C(=O)N2CCN(c3nc4cc(C)ccc4cc3C#N)CC2)c(OC)c1,CID647385,0.0,,,,0.0,,,0.0,,,,,0.0,,,,
COc1cccc(OC)c1C(=O)Nc1ccccc1C(=O)N1CCOCC1,CID2958806,,,,,,,,,0.0,0.0,0.0,,,,,,
CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)c1,CID3240611,,,0.0,,0.0,,0.0,,,0.0,,,,,,0.0,
CN(c1ccc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1)S(C)(=O)=O,CID1007938,,,,,,,,,0.0,,,,,,,,
Cc1c(C(=O)Nc2ccccc2C(=O)N2CCOCC2)cccc1[N+](=O)[O-],CID2207339,,,,,,,,,,,,,,,0.0,,
Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)N2CCN(c3ccccn3)CC2)CC1,CID5308542,0.0,,0.0,,,,,,,,,,,,,,
Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC(C(=O)N2CCN(c3ccccn3)CC2)CC1,CID5309347,0.0,,,,,,,,,0.0,,,,,,,
Cc1ccccc1-c1nc(CN2CCC(C(=O)N3CCN(c4ccccn4)CC3)CC2)c(C)o1,CID5309518,0.0,,,,,,,,0.0,,,,,,,,
CCc1ccc(-c2nc(CN3CCC(C(=O)N4CCN(c5ccccn5)CC4)CC3)c(C)o2)cc1,CID3239292,0.0,,,0.0,,,,,,,,,,,,,
Cc1ccc2nc(C)c(Cl)c(=O)n2c1,CID740856,,,,,,,,,,0.0,,,,0.0,,,
Cc1nc2ccc(Br)cn2c(=O)c1Cl,CID880093,,,,,,,,,,,,0.0,,,,,
C/N=C/c1c(NC)nc2c(C)cccn2c1=O,CID910639,,,,,,,,,,,0.0,0.0,,,,,
Cc1nc2ccccn2c(=O)c1[N+](=O)[O-],CID5345374,,,,,,0.0,,,,,,,,,,,
Cc1nc2nc(Cc3ccccc3)[nH]n2c(=O)c1Cl,CID934923,0.0,0.0,,,,,,,,,,,,,0.0,,0.0
CCCc1cc(=O)n2[nH]c(Cc3ccccc3)nc2n1,CID935434,,0.0,0.0,0.0,,,,0.0,,,,,,0.0,,,
COC(=O)Cc1c(C)nc2nc(Cc3ccccc3)[nH]n2c1=O,CID935141,,,,0.0,,,,0.0,,,,,0.0,,0.0,,
CCOC(=O)c1cnc2nc(Cc3ccccc3)[nH]n2c1=O,CID935388,,,,0.0,,,,,,,,,0.0,0.0,,,
CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)c1ccc2c(c1)OCO2,CID662344,,,,,,,,,,,0.0,,,0.0,,,
CCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1ccc2c(c1)OCO2,CID2157342,0.0,,,,,0.0,,,0.0,,0.0,0.0,,,,0.0,
COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)c1ccc2c(c1)OCO2,CID662670,,,,,0.0,,0.0,,,0.0,,0.0,,,,,
CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)c1ccc2c(c1)OCO2,CID663337,,,0.0,,,,,,,,,,,,,,
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc3c(c2)OCCO3)C1c1ccc(C(=O)OC)cc1,CID5389600,,,0.0,,,,0.0,0.0,,,,,,,,,
COc1ccc(OC)c(C2/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN(C)C)c1,CID5389363,,,0.0,,,,,0.0,,,,,,,,,
COc1cccc(C2/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN(C)C)c1OC,CID5389353,,,,0.0,,,,,,,,,,,,,
COc1cccc(C2/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)c1,CID5389397,,,,0.0,,,,,,,,,,,,,
CCOC(=O)CSCC(=O)Nc1c(C(=O)C2CC2)oc2ccccc12,CID1970891,,,,,,,,,0.0,0.0,,,,,,,
O=C(O)CCSCC(=O)Nc1c(C(=O)C2CC2)oc2ccccc12,CID661391,,,,0.0,,,,0.0,0.0,,,0.0,,0.0,0.0,,
COc1ccc2oc(C(=O)C3CC3)c(N)c2c1,CID661397,,0.0,,,0.0,,,,,0.0,,0.0,,,,0.0,
CC(=O)Nc1c(C(=O)C2CC2)oc2ccccc12,CID608382,,,,,,,,,0.0,0.0,0.0,,,,,,
CCOc1ccc(Oc2nc(NCC(C)C)nc(OC)n2)nn1,CID5309968,,,,,,,0.0,0.0,,,0.0,,0.0,,,,
CCNc1nc(NCC)nc(Oc2ccc(OCC)nn2)n1,CID2915266,,0.0,,,,,,,,,,,0.0,,,,
CCNc1nc(N)nc(Oc2ccc(OCC)nn2)n1,CID3246741,,0.0,,,,,,,,,,,0.0,,,,
CCOc1ccc(Oc2nc(NCC(C)C)nc(N(C)C)n2)nn1,CID2966848,,,,,,,,,,,,,0.0,,,,
CCOC(=O)N1CCN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2CCCc2ccccc2)CC1,CID3241345,,,,,,,,,,,,,0.0,,,,
CCOC(=O)N1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCCc2ccccc2)CC1,CID666730,,,,,,,,,,,0.0,0.0,0.0,,,,
CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCCc2ccccc2)CC1,CID646648,,0.0,,,,,,0.0,,,,,,,,,0.0
CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCCc2ccccc2)CC1,CID646273,,,,,,,,,,0.0,,,,,,,
Nc1ccccc1C(=O)OCC(=O)N1CCc2ccccc21,CID1089231,,,,,,,,,,,,0.0,,,,,
CC1Cc2ccccc2N1C(=O)COC(=O)c1ccc(S(=O)(=O)N(C)C)cc1,CID2998430,0.0,,,,,,,,0.0,0.0,,,,,0.0,,
O=C(OCC(=O)N1CCc2ccccc21)c1ccccc1,CID1088631,,0.0,,,,,0.0,0.0,0.0,0.0,,,,0.0,0.0,,
Cc1ccc(C(=O)OCC(=O)N2CCc3ccccc32)cc1,CID1088695,,,,,,0.0,,,,,,,,,0.0,,
Cc1cccn2c(=O)c3cc(C(=O)NCc4cccnc4)c(=N)n(C)c3nc12,CID662694,,,0.0,,,,,0.0,0.0,,,,,,,,
CCn1c(=N)c(C(=O)NCc2cccnc2)cc2c(=O)n3cccc(C)c3nc21,CID651452,,0.0,0.0,,,,,0.0,,,,,,,,,
Cc1ccc2nc3c(cc(C(=O)NCc4cccnc4)c(=N)n3C(C)C)c(=O)n2c1,CID652300,,,,0.0,,,,0.0,,,,,0.0,,,0.0,
Cc1cccn2c(=O)c3cc(C(=O)NCc4cccnc4)c(=N)n(C(C)C)c3nc12,CID1051383,,,0.0,,,,,0.0,,,,,,,,,
COc1ccc(S(=O)(=O)N2CCN(c3ccc4nnc(-c5ccccc5)n4n3)CC2)cc1,CID9551554,,,,,,0.0,,,,,,0.0,,,0.0,,
O=S(=O)(c1ccc(Br)cc1)N1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1,CID9551555,,,,,,,,,0.0,,,,,,,,
Cc1ccc(S(=O)(=O)N2CCN(c3ccc4nnc(-c5ccc(F)cc5)n4n3)CC2)cc1,CID9550524,,,,,,,,,,,0.0,,,,,,
COc1ccc(S(=O)(=O)N2CCN(c3ccc4nnc(-c5ccc(F)cc5)n4n3)CC2)cc1,CID5309784,0.0,,0.0,,,,,,,,0.0,,,,,,
COc1ccccc1Oc1ncnc2sccc12,CID2468821,,,,,,,,,,,,,,,0.0,,
COc1ccc(Oc2ncnc3sccc23)cc1,CID2457327,,,,,,,,,,,,,,,0.0,,
Cc1ccccc1Oc1ncnc2sccc12,CID710974,,,,,,0.0,,,,,,0.0,,,0.0,,
CC(=O)c1ccc(Oc2ncnc3sccc23)cc1,CID2478817,,,,,,,,,,,,,,,0.0,,
CC12CC(c3ccccc3O1)C(C(=O)NCc1ccccc1)C(=O)N2,CID651109,,,,,,,,0.0,,0.0,,,0.0,,,,
CC(NC(=O)C1C(=O)N(CCO)C2(C)CC1c1ccccc1O2)c1ccccc1,CID3240470,,,,,,,,,,,0.0,,,,,,
COc1ccc(C(C)NC(=O)C2C(=O)NC3(C)CC2c2ccccc2O3)cc1,CID3238523,,,0.0,,,,,0.0,,,0.0,,,,,,0.0
CCN1C(=O)C(C(=O)NC(C)c2ccccc2)C2CC1(C)Oc1ccccc12,CID654081,,,,,,,,0.0,,,,,0.0,,,,
COc1cccc(N2C(SC)=NN/C2=C2\C=Nc3ccccc32)c1,CID5310186,,,,,,,,,,,,,0.0,,,,0.0
COc1cccc(N2C(SCC(N)=O)=NN/C2=C2\C=Nc3ccccc32)c1,CID5310271,,,,,,,,0.0,,,,,,,,,
COc1ccc(OC)c(N2C(SC)=NN/C2=C2/C=Nc3ccccc32)c1,CID5310056,,,,,,0.0,,0.0,,,,,,,,,
COc1ccc(N2C(SC)=NN/C2=C2\C=Nc3ccccc32)cc1,CID5310224,,0.0,,,,0.0,,,,,,,0.0,,,,
CCCc1nc(SCC(=O)N2CCN(c3ccccc3)CC2)c2c(=O)n(C)c(=O)n(C)c2n1,CID5310182,,,,0.0,,,,0.0,,0.0,0.0,,,,,,
CC(C)c1nc(SCC(=O)N2CCN(c3ccccc3)CC2)c2c(=O)n(C)c(=O)n(C)c2n1,CID5310326,,0.0,,,,,,,,,0.0,,,,,,
CCc1nc(SCC(=O)N2CCN(c3ccccc3)CC2)c2c(=O)n(C)c(=O)n(C)c2n1,CID5310389,,,,,,,,0.0,,,,,,,,,
Cc1nc(SCC(=O)N2CCN(c3ccccc3)CC2)c2c(=O)n(C)c(=O)n(C)c2n1,CID4343416,0.0,,,,,,,,,,,,,,,0.0,
Cc1ccc(C(=O)O)cc1S(=O)(=O)N1CCSCC1,CID655789,,,,,0.0,,0.0,,,,,,,,,,
O=C(O)c1cccc(S(=O)(=O)N2CCSCC2)c1,CID653703,,,,,0.0,,,,,0.0,,,,0.0,,,
Cc1cc(Cl)c(S(=O)(=O)N2CCSCC2)cc1OCC(N)=O,CID2201055,,,0.0,,,,,,0.0,,,,0.0,0.0,,,
CC(=O)Nc1ccc(S(=O)(=O)N2CCSCC2)cc1,CID458785,,,,,,0.0,,,,,,,,,,,
CCC(c1nnnn1C(C)(C)C)N1CCN(c2cc(Cl)ccc2C)CC1,CID655300,0.0,,0.0,,,,0.0,,,,,,0.0,,,,
CC(C)C(c1nnnn1C(C)(C)C)N1CCN(c2cccc(Cl)c2)CC1,CID646653,0.0,0.0,0.0,,,,0.0,,,,,,,,,,
COCCn1nnnc1CN1CCN(c2cccc(C(F)(F)F)c2)CC1,CID646624,,,,,,,0.0,,,,,,,,,,
CC(C)CC(c1nnnn1C(C)C)N1CCN(c2cccc(Cl)c2)CC1,CID651221,0.0,0.0,0.0,,,,0.0,,,,0.0,,0.0,,,,
Cc1ccc(C2=CSC3=NS(=O)(=O)CCN23)cc1C,CID2319893,,,,,,0.0,,,,,,,,0.0,,,
Cc1ccc(C)c(C2=CSC3=NS(=O)(=O)CCN23)c1,CID2319851,,,,,,0.0,,,,0.0,,,,,0.0,,
CCOC(=O)C1=C(c2ccccc2)N2CCS(=O)(=O)N=C2S1,CID2998816,,,,,0.0,,,,0.0,,0.0,,0.0,,,,
Cc1cc(C)c(C2=CSC3=NS(=O)(=O)CCN23)c(C)c1,CID2384573,,,,,,,,,,,,,,0.0,0.0,,
CCOC(=O)c1ccc(N2C(=O)CC(C3CCCO3)C2=O)cc1,CID2929107,,,,,,,0.0,0.0,,,,,,,0.0,,
O=C1CC(C2CCCO2)C(=O)N1c1ccccc1,CID2875742,,,,,,,,,,0.0,,,,,0.0,,
O=C1CC(C2CCCO2)C(=O)N1c1cccc(Cl)c1,CID2878682,,0.0,,,,,,,,0.0,,0.0,0.0,,,0.0,0.0
Cc1ccc(N2C(=O)CC(C3CCCO3)C2=O)cc1,CID2875616,,,,,,,,,,0.0,,,,,0.0,,
CCCCOc1ccc(C2OC34CCCCC3C(C#N)(C#N)C2(C#N)C(=N)O4)cc1,CID3749102,,,,,,,,,0.0,,,,,,,,
CCOc1ccc(C2OC34CCCCC3C(C#N)(C#N)C2(C#N)C(=N)O4)cc1OC,CID4586692,,,,,,,,,,,0.0,,,,,,
CCCCCCCCOc1ccc(C2OC34CCCCC3C(C#N)(C#N)C2(C#N)C(=N)O4)cc1,CID3575903,,,,,,0.0,,,,,,,,,,,
COc1ccc(C2OC34CCCCC3C(C#N)(C#N)C2(C#N)C(=N)O4)cc1,CID3485622,,,,,,,,,,,0.0,,,,,,
Cc1ccc(Cl)cc1N1CCN(C(=O)CN2C(=O)c3cccc4cccc2c34)CC1,CID2198258,,,,,0.0,,0.0,,,,,,0.0,,,0.0,0.0
O=C(CN1C(=O)c2cccc3cccc1c23)N1CCN(c2ccccc2)CC1,CID647874,0.0,,0.0,,,,,0.0,,,,,,,,,
O=C(CN1C(=O)c2cccc3cccc1c23)N1CCN(c2ccc(F)cc2)CC1,CID654822,,,,,,0.0,0.0,,,,,,,,,,
O=C(CN1C(=O)c2cccc3cccc1c23)N1CCN(c2cccc(Cl)c2)CC1,CID989240,0.0,,,0.0,0.0,,,,,,0.0,,,,,0.0,
Cc1ccc(NC(=S)NNC(=O)CCn2cc(C)cn2)cc1,CID842997,,,,,,0.0,,,,,,,,,,,
Cc1cnn(CCC(=O)NNC(=S)Nc2ccccc2)c1,CID842990,,,,,,,,,,,,,,,0.0,,
Cc1nn(CCC(=O)NNC(=S)Nc2ccc(F)cc2)c(C)c1[N+](=O)[O-],CID998782,,,,,,,,,,,0.0,,,,,,
Cc1cccc(NC(=S)NNC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)c1,CID998930,,,,,,,,,,0.0,,,,,0.0,,
O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc(Cl)c([N+](=O)[O-])c1,CID1104087,,,,,,0.0,,,,,,,,,,,
CCOc1cccc(C(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)c1,CID2880682,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(C(=O)Nc2cc3nn(-c4ccc(C)cc4)nc3cc2C)cc1[N+](=O)[O-],CID1370576,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3n2)cc1,CID1102712,,,,,,0.0,,,,,,,,,,,
COc1ccccc1Nc1nc(-c2ccc([N+](=O)[O-])cc2)nc2ccccc12,CID1187242,,,,,,,,,,,,0.0,,,,,
COc1ccccc1Nc1nc(-c2cccc([N+](=O)[O-])c2)nc2ccccc12,CID1308086,,,,,,0.0,,,,,,0.0,,,,,
COc1ccc(OC)c(Nc2nc(-c3cccc([N+](=O)[O-])c3)nc3ccccc23)c1,CID1306963,,,,,,,,,,,,0.0,,,,,
COc1ccc(Nc2nc(-c3cccc([N+](=O)[O-])c3)nc3ccccc23)cc1,CID1420397,,,,,,,,,,,,,,,0.0,,
Cc1cc(Oc2ccc(C(C)(C)C)cc2)nc(N2CCOCC2)n1,CID697271,,,,,,0.0,,,0.0,,0.0,,,,0.0,,
CCCc1ccc(Oc2cc(C)nc(N3CCOCC3)n2)cc1,CID929670,,,,,,,,,,,0.0,,,,,,
CC(=O)c1ccc(Oc2cc(C)nc(N3CCOCC3)n2)cc1,CID697265,,,,,,,,,,,,,,,0.0,,
Cc1cc(Oc2ccc(C#N)cc2)nc(N2CCOCC2)n1,CID921904,,,,,,0.0,,,,,,,,,0.0,,
Cc1ccc(NC(=O)CSc2nnc(-c3cnccn3)n2Cc2ccco2)cc1C,CID662240,0.0,0.0,0.0,,0.0,,,0.0,,,,,0.0,,,0.0,0.0
Cc1ccc(NC(=O)CSc2nnc(-c3cnccn3)n2Cc2ccco2)cc1,CID663142,0.0,,,,0.0,,,,,,0.0,,,,,0.0,
O=C(CSc1nnc(-c2cnccn2)n1Cc1ccco1)Nc1ccc(Br)cc1,CID1248802,,,,,,,,,0.0,,,,,,,,0.0
CCc1ccc(NC(=O)CSc2nnc(-c3cnccn3)n2Cc2ccco2)cc1,CID662858,0.0,0.0,,,0.0,,,0.0,,0.0,,,0.0,,,0.0,0.0
COC(=O)c1ccc(NC2(C#N)C(=O)Nc3ccccc32)cc1,CID2926772,,0.0,0.0,0.0,0.0,,,,,0.0,,,,,,,
CC(C)c1ccc(NC2(C#N)C(=O)Nc3ccccc32)cc1,CID3153366,,,,,,0.0,,,,,0.0,,,,,,
Cc1ccc(NC2(C#N)C(=O)Nc3ccccc32)cc1,CID2875132,,,,,,,,,0.0,,,0.0,,,,,
Cc1ccccc1NC1(C#N)C(=O)Nc2ccccc21,CID4584503,,,,,,0.0,,,,,,,,,,,
CCOC(=O)N1CCN(C(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(F)cc2)CC1,CID1167476,,,,,,,,0.0,,,,,,,,,
CCOC(=O)N1CCN(C(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)CC1,CID2925960,,,,,0.0,,,,,,0.0,,0.0,,,,0.0
COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C)CC2)C2CCCCC2)cc1OC,CID645298,,,,,0.0,,,,,,,,0.0,,,0.0,0.0
CCOC(=O)N1CCN(C(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Cl)cc2)CC1,CID2925163,,,,,,,,,0.0,,,0.0,,,,,
NC(=O)C1(N2CCCCC2)CCN(c2nc(-c3ccc(Br)cc3)cs2)CC1,CID991000,,,,,,,,,,,0.0,,,,,,
COc1ccc(-c2csc(N3CCC(C(N)=O)(N4CCCCC4)CC3)n2)cc1,CID1251528,,,,0.0,,,,,,,,,0.0,,,0.0,
NC(=O)C1(N2CCCCC2)CCN(c2nc(-c3ccccc3)cs2)CC1,CID605028,,,,,,,,0.0,,,0.0,,,,0.0,0.0,
Cc1ccc(-c2csc(N3CCC(C(N)=O)(N4CCCCC4)CC3)n2)cc1,CID1267684,,,0.0,,,0.0,,,,,,,,,,0.0,
COc1ccc(C2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2Cc2cccnc2)cc1OC,CID665937,,,0.0,,0.0,,,0.0,,,,,,,,,
COc1cc(C2c3c(oc4ccccc4c3=O)C(=O)N2Cc2cccnc2)cc(OC)c1OC,CID665404,,,,,0.0,,,,0.0,,,,,,,,
COc1cc(C2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2Cc2cccnc2)ccc1O,CID666414,,,,,0.0,,0.0,,0.0,0.0,,,0.0,,,,
COc1cc(C2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2Cc2cccnc2)cc(OC)c1OC,CID666335,,0.0,0.0,,0.0,,,,0.0,,,0.0,,,,0.0,0.0
CC(C)C(C(=O)NCC1CCCO1)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccccc1,CID654223,,,0.0,,0.0,,,,,0.0,,0.0,0.0,,,,0.0
CCCC(C(=O)NCC1CCCO1)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(F)cc1,CID655171,,,,0.0,0.0,,0.0,,,,0.0,,0.0,,,,
CCCC(C(=O)NCC1CCCO1)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccccc1,CID652344,,,,,0.0,,,,0.0,,0.0,,0.0,,0.0,,
CC(C)C(C(=O)NCC1CCCO1)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(F)cc1,CID652549,,,,,0.0,,,0.0,,0.0,,,0.0,,,,
CCOC(=O)C(CC)Sc1nc(=O)c(NC(=O)c2ccc(OC)c(OC)c2)c(N)[nH]1,CID4998728,,,,,0.0,,,,,,0.0,,,,,,
CC(C)NC(=O)CSc1nc(=O)c(NC(=O)c2ccccc2F)c(N)[nH]1,CID7151155,,,,,,,,,,,,,,,0.0,,
CCOC(=O)C(C)Sc1nc(=O)c(NC(=O)c2ccc(OC)c(OC)c2)c(N)[nH]1,CID4596700,,,,,,,0.0,,,,,,,,,,
CCC(Sc1nc(=O)c(NC(=O)c2ccc(OC)c(OC)c2)c(N)[nH]1)C(=O)OC,CID5096273,,,0.0,0.0,,,,,,,,,,,,,
COc1ccc(N(CC(=O)NCCSc2ccccn2)S(C)(=O)=O)cc1Cl,CID2283032,,,,,,,,,0.0,,,,,,,,
CCOc1ccc(N(CC(=O)NCCSc2ccccn2)S(C)(=O)=O)cc1,CID2262203,,,0.0,,0.0,0.0,0.0,,,,,,,,,,
COc1ccc(N(CC(=O)NCCSc2ccccn2)S(C)(=O)=O)cc1,CID3143354,,,,,,,,,,0.0,,,,0.0,,,
COc1cccc(N(CC(=O)NCCSc2ccccn2)S(C)(=O)=O)c1,CID3144121,,,,,,,,,,0.0,0.0,,,,,,
COC(=O)c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(=O)c1ccccc1S2=O,CID5309472,,,0.0,,,,0.0,0.0,0.0,,,,,,,,0.0
CCOC(=O)c1ccc2c(c1)N(Cc1ccccc1C)C(=O)c1ccccc1S2=O,CID3241979,,,,0.0,,,,0.0,,0.0,,,,,,,
O=C(O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2=O,CID5307330,,,,,,,,0.0,,,,,,,,,0.0
O=C(O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2=O,CID5307699,,,,0.0,,,,,,,,,,,,,
CC(C)Oc1cccc(-c2cc(C(=O)N3CCN(c4ncccn4)CC3)c3ccccc3n2)c1,CID1261625,,,,,,,,,,,0.0,0.0,,,0.0,,
COc1cccc(-c2cc(C(=O)N3CCN(c4ncccn4)CC3)c3ccccc3n2)c1,CID1027508,,,0.0,,,,,,,0.0,0.0,,,,,,
Cc1ccc(-c2cc(C(=O)N3CCN(c4ncccn4)CC3)c3ccccc3n2)cc1,CID2093195,,,0.0,,,,,,0.0,,,0.0,,,,,
COc1ccc(OC)c(-c2cc(C(=O)N3CCN(c4ncccn4)CC3)c3ccccc3n2)c1,CID3237504,0.0,,,,,,,,,0.0,,0.0,,,,,
COc1ccc2cc(CN(CC3COCCO3)S(=O)(=O)c3ccc(Cl)cc3)c(=O)[nH]c2c1,CID655996,,,,,,,,,0.0,,,,,,,,
COc1ccc2cc(CN(CC3COCCO3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1,CID650399,,,,0.0,0.0,,,,,,0.0,,0.0,,0.0,0.0,0.0
COc1ccc(S(=O)(=O)N(Cc2cc3ccc(OC)cc3[nH]c2=O)CC2COCCO2)cc1,CID654407,,0.0,0.0,,0.0,,,0.0,,0.0,0.0,,,,,0.0,
COc1ccc2cc(CN(CC3COCCO3)S(=O)(=O)c3c(C)cc(C)cc3C)c(=O)[nH]c2c1,CID3203444,,,,,,0.0,,,,,,,,,,,
O=C(CC1N=C2c3ccccc3N=C(SCc3ccc(Cl)cc3)N2C1=O)NCc1ccco1,CID3238863,0.0,0.0,,0.0,0.0,,,,,,0.0,,,,,,
O=C(CC1N=C2c3ccccc3N=C(SCc3ccccc3Cl)N2C1=O)NCc1ccco1,CID3241367,0.0,,,0.0,0.0,,,,,,0.0,0.0,,0.0,,,
O=C(CC1N=C2c3ccccc3N=C(SCc3ccc(F)cc3)N2C1=O)NCc1ccco1,CID3243352,0.0,,0.0,,,,,,0.0,,,,0.0,,,,
Cc1ccc(CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4ccco4)C(=O)N23)cc1,CID3237176,,0.0,,,0.0,,,,,,0.0,,,,,,
CC(C)n1c(SCc2cc(=O)[nH]c3ccccc23)nc2c1c(=O)n(C)c(=O)n2C,CID648123,,,,,,,,,0.0,,,,,,,,
CCCn1c(SCc2cc(=O)[nH]c3ccccc23)nc2c1c(=O)n(C)c(=O)n2C,CID647207,,0.0,,0.0,,0.0,,,0.0,,,,,,,,
CCn1c(SCc2cc(=O)[nH]c3ccccc23)nc2c1c(=O)n(C)c(=O)n2C,CID656145,,0.0,,0.0,,,,,0.0,,,,,,,0.0,
CCCCn1c(SCc2cc(=O)[nH]c3ccccc23)nc2c1c(=O)n(C)c(=O)n2C,CID645793,,,0.0,,,,,,,,0.0,,,0.0,,,
CCOC(=O)C1CCCN(C(=O)CN2C(=O)C(CC)Oc3ccc(C)cc32)C1,CID3237915,,,0.0,,,,,0.0,,,,,,,,,
CCOC(=O)C1CCN(C(=O)CN2C(=O)C(CC)Oc3ccccc32)CC1,CID3238814,,,,,,,0.0,0.0,,,,,0.0,,0.0,,
CCOC(=O)C1CCCN(C(=O)CN2C(=O)COc3ccc(C(C)(C)C)cc32)C1,CID3238220,,,0.0,,,,,0.0,,,,,,,,,
CCOC(=O)c1ccc2c(c1)N(CC(=O)N1CCCCC1)C(=O)C(C)(C)O2,CID1445566,,,,,,,,,,,,,,,0.0,,
Cc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)s1,CID886529,,,,,,,,,,,,,,0.0,,,
Cc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)s1,CID1389577,,,,,,,,,,,,,,0.0,,,
O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1cccs1,CID1905297,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(N2C(=O)/C(=C\c3cccs3)C(=O)NC2=S)cc1,CID2226076,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(OCC)c(NC(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1,CID3237587,,,,,0.0,,,0.0,,0.0,0.0,,0.0,,,,
CCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1,CID3245908,,,0.0,,0.0,,0.0,,,,,,,,,0.0,
COc1ccc(OC)c(NC(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1,CID3243890,,,,,0.0,,,0.0,,,,,,,,0.0,
Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1,CID3238345,,,,,0.0,,,,,0.0,,,,,,,0.0
Cc1ccccc1NC(=O)CSc1nnc(-c2ccco2)c(-c2ccco2)n1,CID2941133,,,,,,,,,,,0.0,,,,,,
O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Nc1ccccc1,CID5293426,,,0.0,,,,,,,,,,,,,0.0,0.0
Cc1cccc(NC(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)c1C,CID6413218,,,,,,0.0,,,,,0.0,,,,,,
Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)cc1,CID6400935,,,,,,,,0.0,,,,,,,,,
COc1ccc(-n2c(C)cc(/C=C3/SC(=S)N(C)C3=O)c2C)cc1,CID1321364,,,,,,,,,,,,,,0.0,,,
C=CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)SC1=S,CID1363220,,,,,,0.0,,,,,,,,,,,
Cc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1,CID2263988,,,,,,0.0,,,,,,,,,,,
COc1ccc(-n2c(C)cc(/C=C3\SC(=S)NC3=O)c2C)cc1,CID1329072,,,,,,,,,,,,,,,0.0,,
Cc1cc(Cl)ccc1NC(=O)Nc1c(C)n(-c2ccccc2)c(=O)n1C,CID1256204,,,,,,,,,,,,,,,0.0,,
COc1ccc(Cl)c(NC(=O)Nc2c(C)n(-c3ccccc3)c(=O)n2C)c1,CID2236025,0.0,0.0,0.0,,,,,,,,,,,,,0.0,
CCOc1ccccc1NC(=O)Nc1c(C)n(-c2ccccc2)c(=O)n1C,CID2235606,,,,,,,,,,,0.0,0.0,,,,,
COc1ccc(NC(=O)Nc2c(C)n(-c3ccccc3)c(=O)n2C)cc1OC,CID1256251,,0.0,,,,,,0.0,,,0.0,0.0,0.0,,,,0.0
CC(C)(C)NC(=O)C(c1ccccc1)N(C(=O)c1csnn1)C1CC1,CID646992,0.0,0.0,0.0,,,,,,0.0,,0.0,,,,,0.0,
CN(C)c1ccc(C(C(=O)NC(C)(C)C)N(C(=O)c2csnn2)C2CC2)cc1,CID648193,0.0,,0.0,,,,,0.0,,,,,,,,0.0,
CCC(C)(C)NC(=O)C(c1ccccc1)N(C(=O)c1csnn1)C1CC1,CID3222332,,,,,,,,,,,0.0,,,,,,
Cc1ccc(C(C(=O)NC(C)(C)C)N(C(=O)c2csnn2)C2CC2)cc1,CID3219449,,,,,,,,,,,0.0,0.0,,,,,
O=C(O)C1=C(Br)C2=NC(c3ccccc3)CC(C(F)(F)F)N2N1,CID5310819,,,,,,,,,,,,0.0,,,,,
COc1cccc(C2CC(C(F)(F)F)N3NC=C(C(=O)O)C3=N2)c1,CID5740509,,,,,,,,,,,,,,,,,0.0
O=C(O)C1=CC2=NC(c3ccccc3)CC(C(F)(F)F)N2N1,CID5389144,,,,0.0,,,,,,,,,,,,,
COc1ccc(C2CC(C(F)(F)F)N3NC(C(=O)O)=CC3=N2)cc1OC,CID5347777,0.0,,,,,,,,,,,,,,,,
Cc1cccc2cc(CN(Cc3cccs3)Cc3nnnn3Cc3ccccc3)c(=O)[nH]c12,CID655818,0.0,,,,,,,,,,,,0.0,,,0.0,
COc1ccc2cc(CN(Cc3cccs3)Cc3nnnn3Cc3ccccc3)c(=O)[nH]c2c1,CID1171545,,,,,,,,,,0.0,0.0,,,,0.0,,
Cc1ccc2[nH]c(=O)c(CN(Cc3cccs3)Cc3nnnn3Cc3ccccc3)cc2c1,CID646682,,,,,,,,,,,,,,,,0.0,
COc1ccc2[nH]c(=O)c(CN(Cc3cccs3)Cc3nnnn3Cc3ccccc3)cc2c1,CID1171648,,,,,,,,,,,,0.0,,,0.0,,
COc1ccc(/C=C\c2onc(C)c2S(=O)(=O)N2CCC(C(=O)NCCC(C)C)CC2)cc1,CID9550446,,,,,,,,,,0.0,,,,,0.0,,
CCCCNC(=O)C1CCN(S(=O)(=O)c2c(C)noc2/C=C\c2ccc(OC)cc2)CC1,CID9551365,,,,,,0.0,,,,0.0,,,,,,,
COCCCNC(=O)C1CCN(S(=O)(=O)c2c(C)noc2/C=C\c2ccc(OC)cc2)CC1,CID5771352,,,,,,,,,,,,,0.0,,0.0,,
CCOCCCNC(=O)C1CCN(S(=O)(=O)c2c(C)noc2/C=C\c2ccc(OC)cc2)CC1,CID5771387,,,,0.0,,,,,,,,0.0,,,,0.0,
COc1ccc(NC(=O)C2CCCN2C(=O)NCc2ccccc2)c(OC)c1,CID645170,0.0,,0.0,,,,,,0.0,,,,,0.0,0.0,,
COc1ccc(NC(=O)C2CCCN2C(=O)NCc2ccccc2)cc1OC,CID3219742,,,,,,,,,0.0,,,0.0,,,,,
COc1cccc(OC)c1NC(=O)C1CCCN1C(=O)NCc1ccccc1,CID647861,0.0,,0.0,,,,,,0.0,,,,,,,,
COc1ccccc1NC(=O)C1CCCN1C(=O)NCc1ccccc1,CID653430,0.0,,,0.0,,,,,0.0,,,0.0,,,,,
Cc1nnc(N)nc1C,CID87163,,0.0,,0.0,,,0.0,,,,,,,,,,
CCCNC(=O)N(C)c1nncnc1C(=O)NC,CID597127,,0.0,0.0,0.0,,,,,,,,,,0.0,0.0,,
CCCCNC(=O)N(C)c1nncnc1C(=O)NC,CID6400927,,,,,,,,,,0.0,,,,,,,
Cc1nnc(SCC(=O)N(C(C)C)C(C)C)nc1C,CID649575,0.0,,,0.0,,,,,,,,,,,0.0,,
O=C1CC(c2ccccc2)CC(=O)C1=CNCCCO,CID1736179,,,0.0,,0.0,,,0.0,,,,,,,,,
COc1ccc(C2CC(=O)C(=CNCCO)C(=O)C2)cc1OC,CID1713824,,,,,0.0,,,,,,,,,,,,
O=C1CC(c2cccc(Cl)c2)CC(=O)C1=CNCCCO,CID3242066,,0.0,,,,,,,,,,,,,,,0.0
CCC(C)NC=C1C(=O)CC(c2ccccc2)CC1=O,CID2879185,,,,,,,,,,0.0,,,,,,,
COCCNC(=O)CN(C(=O)CCC(=O)Nc1cc(C)on1)c1cccc(C)c1C,CID648163,,,0.0,,,,,,,,0.0,,,,,,
COCCNC(=O)CN(C(=O)CCC(=O)Nc1cc(C)on1)c1ccccc1C,CID651112,,,,0.0,,,0.0,0.0,,,,,,,,,0.0
Cc1cc(C)cc(NC(=O)CCC(=O)Nc2cc(C)on2)c1,CID863132,,,,,,,,,,,,0.0,,,,,
COCCNC(=O)CN(C(=O)CCC(=O)Nc1cc(C)on1)c1ccc(C)cc1C,CID647551,,,0.0,,,,,,,,,,,,,,
CC(=O)N(C)C1(c2nnnn2CCOC(=O)Nc2ccc(Cl)cc2)CCCCC1,CID3240278,0.0,,,,,,0.0,,,,,,,,,,
CN(C)C1(c2nnnn2CCOC(=O)Nc2ccc(Cl)cc2)CCCCC1,CID1304886,,,,,,,0.0,,,,,,,,,,
CC(=O)NC1(c2nnnn2CCOC(=O)Nc2ccc(Cl)cc2)CCCCC1,CID2946292,0.0,,,,,,0.0,,,,,,,,,,
COCC(=O)N(C)C1(c2nnnn2CCOC(=O)Nc2ccc(Cl)cc2)CCCCC1,CID2944922,,,,,,,,,,,,,,,0.0,,
Cc1cccc(S(=O)(=O)c2c(N)n(Cc3ccco3)c3nc4ccccc4nc23)c1,CID666651,0.0,,,0.0,0.0,0.0,0.0,,,,0.0,,,,,,
COc1ccc(S(=O)(=O)c2c(N)n(Cc3ccco3)c3nc4ccccc4nc23)cc1,CID664839,,,,0.0,0.0,0.0,,0.0,,,,,,,,0.0,
Cc1ccc(S(=O)(=O)c2c(N)n(Cc3ccco3)c3nc4ccccc4nc23)cc1,CID662757,,,,,0.0,0.0,0.0,,,,0.0,,,,,,0.0
Nc1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n1Cc1ccco1,CID663121,,0.0,,,0.0,0.0,0.0,,,,0.0,,,,,,0.0
COc1ccc(OCCCCOc2ccccc2Cl)cc1,CID2251741,,,,,,,,,,,,,,0.0,,,
COc1cc(C=O)ccc1OCCCCOc1ccccc1[N+](=O)[O-],CID2283903,,,,,,,,,,,,,,,0.0,,
COc1cccc(OC)c1OCCCCOc1c(OC)cccc1OC,CID2262098,,,,,,0.0,,,,,,,,,,,
C/C=C/c1ccc(OCCCCOc2ccc(OC)cc2)c(OC)c1,CID5730485,,,,,,,,,,,,,,,0.0,,
COc1ccc(CCNC(=O)CSc2nc(C)nc3c2oc2ccccc23)cc1OC,CID665196,0.0,,,0.0,0.0,0.0,,,,,0.0,,,,0.0,,0.0
COc1ccc(CCNC(=O)CSc2ncnc3c2oc2ccccc23)cc1OC,CID665066,0.0,,0.0,,0.0,,,,,0.0,,0.0,0.0,,,,0.0
CCc1nc(SCC(=O)NCCc2ccccc2)c2oc3ccccc3c2n1,CID3628612,,,,,,0.0,,,0.0,,,,,,,,
Cc1nc(SCC(=O)NCCc2ccccc2)c2oc3ccccc3c2n1,CID2014844,,,,,,,,,,,,0.0,,,,,
Cc1ccc(-c2noc(CNc3ccccc3)n2)cc1,CID752359,,,,,,,,,,,0.0,,,,0.0,,
CCc1ccc(NCc2nc(-c3ccccc3)no2)cc1,CID752353,,,,,,,,,,,,,,0.0,,,
c1ccc(NCc2nc(-c3ccccc3)no2)cc1,CID752352,0.0,,,,,,,,,,,,,,0.0,0.0,
Cc1cccc(NCc2nc(-c3ccccc3)no2)c1,CID3384365,0.0,0.0,,,,,,,0.0,,,,,,,,
CCOC(=O)N1CCN(Cc2nc(-c3ccccc3)no2)CC1,CID752357,0.0,0.0,,,,,,,,,,,,,,,
CCOC(=O)N1CCN(Cc2nc(-c3cccc(C)c3)no2)CC1,CID2235829,,,,,,,,,,,0.0,,,,0.0,,
CCOC(=O)N1CCN(Cc2nc(-c3ccc(C)cc3)no2)CC1,CID752372,0.0,0.0,,,,,,,,,,,0.0,,,,
CCOC(=O)N1CCN(Cc2nc(-c3ccc(OC)cc3)no2)CC1,CID2213848,0.0,0.0,,,,,,,,,,0.0,,,,,
CCOC(=O)CSC1=C(C#N)C(C)C2=C(CCCC2=O)N1,CID646164,,0.0,,,,0.0,0.0,,,,,0.0,,,,,
CCC1C(C#N)=C(SC)NC2=C1C(=O)CC(C)(C)C2,CID2833754,,,,,0.0,,0.0,,,,,,,,,,
CSC1=C(C#N)C(CC(C)C)C2=C(CCCC2=O)N1,CID657921,,,,0.0,0.0,,0.0,,,,,,,,,,
CSC1=C(C#N)C(C)C2=C(CC(C)(C)CC2=O)N1,CID657994,,,,,0.0,,0.0,,,,,,,,,,
CCOC1=C/C(=C2\C(C)=C(CC)NC(N)=C2C#N)C=CC1=O,CID6098036,,,,0.0,,,,0.0,,,,,,,,,
CCOC1=C/C(=C2\C(C)=C(C)NC(N)=C2C#N)C=CC1=O,CID6097135,,0.0,,,,,0.0,,,,,,,,,,
CCC1=C(C)/C(=C2/C=CC(=O)C(OC)=C2)C(C#N)=C(N)N1,CID6097137,,,,0.0,,,,,,,,,,,,,
CCCC1=C/C(=C2\C=CC(=O)C(OCC)=C2)C(C#N)=C(N)N1,CID5770080,,,,0.0,,,,0.0,,,,,,,,,
COc1ccccc1OCCCn1c(=O)sc2ccccc21,CID645456,,,,,,,,,0.0,,,,,,,,
Cc1ccc(OCCCn2c(=O)sc3ccccc32)cc1,CID2142113,,,,,,,,,,0.0,,,,0.0,,,
O=c1sc2ccccc2n1CCCOc1ccccc1,CID3157896,,,,,,,,,,,,0.0,,,,,
Cc1cccc(OCCCn2c(=O)sc3ccccc32)c1,CID3157898,,,,,,,,,,0.0,,,,,,,
CCOC(=O)N1CCC(Nc2c(NCCCOC)c(=O)c2=O)CC1,CID3240602,,,,,,,0.0,0.0,,,,,,,,,
CCOC(=O)N1CCC(Nc2c(OCC)c(=O)c2=O)CC1,CID3620360,,,,0.0,,,,,,,,,0.0,,,,
CCOC(=O)N1CCC(Nc2c(NCCCN(CC)CC)c(=O)c2=O)CC1,CID9551499,,,,,,0.0,,,,,,,,,,,
CCCCN(CC)CCNc1c(NC2CCN(C(=O)OCC)CC2)c(=O)c1=O,CID5309739,,,,,,,,,,,,,0.0,,,,
COc1ccc(C2N=C(Nc3ccc(C)cc3)N=C3NC(C)=CC(=O)N32)cc1,CID5389989,,,,,,,,,,,,0.0,0.0,,,0.0,
CC1=CC(=O)N2C(=NC(Nc3ccc(C)cc3)=NC2c2ccccc2)N1,CID5390027,,,0.0,,,,,,,,,,,,,,
CC1=CC(=O)N2C(=NC(Nc3ccc(C)cc3)=NC2c2ccc(C)cc2)N1,CID5390093,,0.0,,,,,,,,,,,,,,,
CC1=CC(=O)N2C(=NC(Nc3ccc(C)cc3)=NC2c2ccc(O)cc2)N1,CID5390090,,,0.0,,,,,,,,,,,,,0.0,
CCCc1nc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c2c(C)c(C)sc2n1,CID1466624,,,,,,,,,,,,,,,0.0,,
Cc1ccc(S(=O)(=O)N2CCN(c3nc(C)nc4sc(C)c(C)c34)CC2)cc1,CID647994,0.0,,,,0.0,,,,,,0.0,,,,,,0.0
CCc1nc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c2c(C)c(C)sc2n1,CID1466618,,,,,,,,,0.0,,0.0,,,,,,
Cc1nc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c2c(C)c(C)sc2n1,CID656286,,0.0,0.0,,0.0,0.0,,,,0.0,0.0,,,,,,0.0
COc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2ccccn2)cc1,CID666192,0.0,,,,0.0,,,,,,0.0,,,,,0.0,
Cc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2ccccn2)cc1,CID666000,0.0,,,0.0,0.0,,,,,0.0,,,,,,,
N#Cc1ccc(CSc2nnc(-c3ccccn3)n2-c2ccc(Cl)cc2)cc1,CID666353,0.0,,0.0,,0.0,0.0,0.0,,,,0.0,,,,,,0.0
N#Cc1ccc(CSc2nnc(-c3ccccn3)n2-c2ccccc2)cc1,CID1830823,,,0.0,,0.0,,,,,,0.0,,,,,,0.0
Clc1ncnc2scc(-c3ccccc3)c12,CID708730,,,,,,,,,,,,0.0,,,,,
NC(=O)COc1ncnc2scc(-c3ccc(F)cc3)c12,CID2085254,,,,,,,,,,,,,,0.0,,,
CN(CCC#N)c1ncnc2scc(-c3ccccc3)c12,CID665623,,,0.0,,,,0.0,,,,,,,,0.0,0.0,0.0
COCCNC(=O)COc1ncnc2scc(-c3ccc(F)cc3)c12,CID2161555,,,,,,,,,,,,,,0.0,,,
CC(=O)N1CCC(N2CCN(c3ccccc3F)CC2)CC1,CID743199,,,,0.0,,,,,,,,,,,,,
CCCN1CCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1,CID1378417,,,,,,,,,,,,,,,,,0.0
CC(C)CC(=O)N1CCC(N2CCN(c3ccccc3)CC2)CC1,CID948802,,,,,,,,,,,,0.0,,,,,
CCOC(=O)N1CCC(N2CCN(c3cc(C)ccc3C)CC2)CC1,CID784345,,,,,,,,,,,,0.0,,,,,
CCCCCn1c(SCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,CID647508,0.0,,,,,,0.0,0.0,,0.0,0.0,,0.0,,,,0.0
CCCn1c(SCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,CID650170,0.0,0.0,,,,,,0.0,0.0,,,,,,,,0.0
CCOCCn1c(SCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,CID3152997,,,,0.0,,,,,0.0,,,,,,,0.0,0.0
CC(C)CCn1c(SCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,CID648386,0.0,,0.0,,,,0.0,,,,,,,,,0.0,0.0
CN1C(=O)c2ccccc2N(C)C1c1cccs1,CID647507,,,,,,,0.0,,,,,,0.0,,,,
O=C1NC(c2cccs2)Nc2ccccc21,CID658113,,,,0.0,0.0,,,0.0,,,,,,,,,
Cc1ccc(C2NC(=O)c3ccccc3N2)s1,CID300571,,,,,0.0,,,,,0.0,0.0,,,,,,
Cc1ccsc1C1NC(=O)c2ccccc2N1,CID2999384,,,0.0,,0.0,,0.0,,,,,,,,,,0.0
CC(C)NC(=O)c1cc(C(=O)c2cc(Cl)ccc2O)coc1=N,CID2998838,0.0,0.0,,0.0,,0.0,,,,0.0,,,,,,,0.0
CC(C)OC(=O)c1cc(C(=O)c2cc(F)ccc2O)coc1=N,CID4306923,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1cc(C(=O)c2cc(F)ccc2O)coc1=N,CID2369083,,,,,0.0,,,0.0,,,,,0.0,0.0,,,0.0
COCCOC(=O)c1cc(C(=O)c2cc(F)ccc2O)coc1=N,CID2368420,,,,,0.0,,,,,,0.0,,0.0,,,,
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(N)=O)n2CCc2ccccc2)c1,CID2998834,,0.0,,,0.0,,,,0.0,0.0,,0.0,,0.0,,0.0,0.0
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SC(C)C(N)=O)n2CCc2ccccc2)c1,CID4884842,,,,,,0.0,,,,,,,,,,,
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)NC)n2CCc2ccccc2)c1,CID2396192,,0.0,0.0,,0.0,0.0,0.0,,0.0,,,,,,,0.0,0.0
CCNC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1CCc1ccccc1,CID5037640,,,,,,0.0,,,,,,,,,,,
Cc1noc(C)c1C(=O)NCCc1ccccc1,CID3650912,,,,,,,,,,,0.0,,,,,,
COc1ccc(CCNC(=O)c2c(C)noc2C)cc1,CID2089472,,,,,,,,,,0.0,,0.0,,,,,
CCc1noc(C)c1C(=O)NCCc1ccc(OC)c(OC)c1,CID1245852,,,,0.0,,,,,,,0.0,,,,,0.0,0.0
Cc1noc(C)c1C(=O)NCCc1ccc(Cl)cc1,CID1246330,0.0,0.0,,0.0,,,0.0,0.0,,,,,,0.0,,0.0,0.0
CCc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)c1,CID1192504,,,,,,0.0,0.0,0.0,0.0,,0.0,,,,0.0,,
Cc1noc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3)cc2)c1C,CID659894,,,0.0,,,,0.0,,0.0,0.0,0.0,,,0.0,0.0,0.0,0.0
Cc1noc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)c1C,CID978969,0.0,,,,,,0.0,,0.0,,,,0.0,,,,
Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1,CID987756,,0.0,,,,,,,0.0,0.0,,,,,0.0,0.0,0.0
Cc1ccc(C)c(NC(=O)COC(=O)CCC(=O)c2cccs2)c1,CID2431169,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccc(NC(=O)COC(=O)CCC(=O)c2cccs2)c(C)c1,CID2430393,,,,,,,,,,,,,,0.0,,,
Cc1cccc(C)c1NC(=O)COC(=O)CCC(=O)c1cccs1,CID2366240,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccc(NC(=O)COC(=O)CCC(=O)c2cccs2)cc1C,CID3961030,,,,,,,,,,,,,,0.0,,,
O=C(CCc1nc(-c2ccccc2)no1)NC1CCCCC1,CID2006214,,,,,,,,,,,0.0,0.0,,,,,
O=C(CCc1nc(-c2ccccc2F)no1)NC1CCCCC1,CID1249148,,,0.0,,,,,0.0,,,,,,,,,
COc1ccc(-c2noc(CCC(=O)NC3CCCCC3)n2)cc1OC,CID665790,0.0,0.0,,,0.0,,,0.0,0.0,0.0,,,,,,,
COc1cccc(-c2noc(CCC(=O)NC3CCCCC3)n2)c1,CID2229558,0.0,0.0,0.0,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,,,,
O=C(COc1ccccc1)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1,CID1157606,0.0,,0.0,,,,0.0,,,,,,0.0,,0.0,0.0,0.0
Cc1cc(C)cc(OCC(=O)Nc2cccc(-c3nc4ncccc4o3)c2)c1,CID1492665,0.0,0.0,,,0.0,,0.0,0.0,,,,,,,,,
Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)COc1cc(C)c(Cl)c(C)c1,CID1364433,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)COc1ccccc1,CID9550495,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC(=O)c2c(C)cc(=O)oc2C)c(OC)c1,CID660643,,0.0,,,,,0.0,0.0,,0.0,,,0.0,,0.0,0.0,
COc1ccc(NC(=O)c2ccc(=O)oc2)cc1,CID946220,,,,0.0,,0.0,0.0,,,0.0,,,0.0,0.0,,,
O=C(Nc1ccccc1F)c1coc(=O)c(Br)c1,CID1831876,,,,,,,,,,,,,,,0.0,,
COc1ccccc1NC(=O)c1c(C)cc(=O)oc1C,CID659112,,,,,,,0.0,,,,,,,,,,0.0
CCSc1nc(=O)c2c([nH]1)NC(C)=C(C(=O)OC)C2c1ccncc1,CID3240138,,,0.0,0.0,,0.0,,,0.0,,,0.0,,,,,
CCSc1nc(=O)c2c([nH]1)NC(C)=C(C(=O)OC(C)C)C2c1ccncc1,CID3239672,,,0.0,,,,,,,,,,,,,,
CSc1nc(=O)c2c([nH]1)NC(C)=C(C(=O)OC(C)C)C2c1ccncc1,CID3236114,,0.0,,,,0.0,,,0.0,,0.0,,,,,,
CCOC(=O)C1=C(C)Nc2[nH]c(SCC)nc(=O)c2C1c1ccncc1,CID3240196,,0.0,0.0,,,,,,,,,,,,,,
C=CCOc1cccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nccs2)c1,CID654648,,,,,0.0,,,0.0,,,,,,,,,
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)C2c2ccc(F)cc2)nc1C,CID2918454,,,,,,,,0.0,,,,,,,,,0.0
CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccco3)C2c2ccccc2)nc1C,CID659570,,,,,0.0,,,,,,,,0.0,,,0.0,
CCOc1cccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nccs2)c1,CID649434,,,,,,,,,,,,,,,,0.0,
Cc1oc(C(C)(C)C)cc1C(=O)Nc1ccc2c(c1)OCCO2,CID649803,,,0.0,,,,,,,,0.0,,,,,,
Cc1occc1C(=O)Nc1ccc2c(c1)OCCO2,CID887918,,,,,,,0.0,0.0,,0.0,,,0.0,0.0,,0.0,
Cc1cc(C(=O)Nc2ccc3c(c2)OCCO3)co1,CID726075,,,,,,,,,,,,,,,,,0.0
Cc1cc(C(=O)Nc2ccc3c(c2)OCCO3)c(C)o1,CID701527,,,,0.0,,,0.0,,0.0,0.0,0.0,,0.0,,0.0,0.0,
CC(=O)Nc1nc(=O)c(Oc2ccccc2)c(C)[nH]1,CID648773,,0.0,,0.0,,,,,0.0,,,0.0,0.0,,,,
CC(=O)Nc1nc(=O)c(Oc2ccc(Cl)cc2Cl)c(C)[nH]1,CID721354,,,,,,,,,0.0,,,,,,,,
COC(=O)CSc1nc(=O)c(Oc2ccccc2)c(C)[nH]1,CID657952,,,,,,,0.0,,,,,,,,,0.0,
CCC(=O)Nc1nc(=O)c(Oc2ccccc2)c(C)[nH]1,CID657672,,0.0,,,,,,,,0.0,,,,,,,
O=c1oc(-c2ccccc2Cl)nc2ccsc12,CID1485389,,,,,,,,,,0.0,,,,1.0,,,
O=c1oc(-c2ccccc2)nc2ccsc12,CID1485381,,,,,,,,,,,,0.0,,0.0,0.0,,
O=c1oc(-c2ccc(F)cc2)nc2ccsc12,CID1485387,,,,,,,,,,,,,,,0.0,,
Cc1ccc(-c2nc3ccsc3c(=O)o2)cc1,CID1485388,,,,,,0.0,,,,,,,,0.0,0.0,,
COc1ccc(Cl)cc1NC(=O)C1CCCN(S(=O)(=O)c2cccc3nonc23)C1,CID3244382,,,,,0.0,,,,,,,,0.0,,,,
COc1ccc(C)cc1NC(=O)C1CCCN(S(=O)(=O)c2cccc3nonc23)C1,CID3237521,,,0.0,,,,,,,,,,0.0,,,0.0,0.0
COc1ccc(OC)c(NC(=O)C2CCCN(S(=O)(=O)c3cccc4nonc34)C2)c1,CID9550294,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cccc4nonc34)C2)cc1,CID9551067,,,,,,,,,,,0.0,,,,,,
Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)NCc3ccco3)c2=O)cc1,CID3235786,,0.0,,,0.0,,0.0,,,,,,,0.0,,,0.0
Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)NCc3ccco3)c2=O)cc1F,CID11957237,,,,,,,,,,,,0.0,,,,,
CCOc1ccc(-n2c(=O)c3sccc3n(CC(=O)NCc3ccco3)c2=O)cc1,CID3243200,,,,,0.0,0.0,,,,,,,,,0.0,,0.0
Cc1cc(C)cc(-n2c(=O)c3sccc3n(CC(=O)NCc3ccco3)c2=O)c1,CID3244090,0.0,0.0,,,0.0,0.0,,,,,,,,0.0,,,
CCOc1ccc(C2C(C(=O)NC)=C(C)Nc3nc4ccccc4n32)cc1OC,CID3457556,0.0,,,,,,,0.0,,,,,,,,,
COc1ccc(OC)c(C2C(C(=O)N(C)C)=C(C)Nc3nc4ccccc4n32)c1,CID3243938,0.0,0.0,,,0.0,,,0.0,,,,,,,,,
CNC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1cccc(OC)c1,CID4377259,,,,,,0.0,,,,,,,,,,,
CCN(CC)C(=O)C1=C(C)Nc2nc3ccccc3n2C1c1cccc(OC)c1,CID9551117,,,,,,,,,,,,,,,0.0,,
CCC(OC(=O)c1ccco1)C(=O)NCc1ccco1,CID656068,,,,0.0,,0.0,,0.0,,,,,0.0,0.0,,0.0,
CC(C)C(OC(=O)c1ccco1)C(=O)NCc1ccco1,CID651361,,,,,,,0.0,0.0,,0.0,,,,0.0,,,0.0
O=C(COC(=O)c1ccc(Br)o1)NCc1ccco1,CID2351271,,,,,,,,,0.0,,0.0,,,,,,0.0
O=C(COC(=O)c1ccco1)NCc1ccco1,CID645913,,0.0,,,0.0,,,,,,,,,,,,
CCOC(=O)CCn1c2nc(C)cc(C)c2c(=O)n1-c1ccccc1,CID3242203,,,,,0.0,,,,0.0,,,,,,,,
O=c1c2c(C(F)(F)F)cc(C(F)(F)F)nc2[nH]n1-c1ccccc1,CID712753,,,,,,,,,0.0,,,,,,,,
Cc1cc(C)c2c(=O)n(-c3ccccc3)[nH]c2n1,CID712750,,,,,,,0.0,0.0,,,,,,,,,
Cc1cc(C(C)(C)C)nc2[nH]n(-c3ccccc3)c(=O)c12,CID624592,,,,,,,,,,,,0.0,,,,,
COC(=O)Nc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3cccnc3)C2)cc1,CID2927417,,,,,,,,,0.0,,,,,,,,
O=C(Nc1cccnc1)C1CCCN(S(=O)(=O)c2ccccc2)C1,CID4086847,,,,,,,,,,,0.0,,,,,,
Cc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3cccnc3)C2)cc1,CID2929536,,,,,,0.0,,,,,0.0,,,,,,
COc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3cccnc3)C2)cc1Cl,CID646272,,,,,0.0,,,,,,,0.0,,,,,0.0
Cc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccccn3)no2)cc1,CID925205,,,,0.0,,,,0.0,,,,,,,,0.0,
CN(Cc1nc(-c2ccccn2)no1)S(=O)(=O)c1ccc(Br)cc1,CID1253850,,,,,,,,,0.0,,0.0,,,,,0.0,
CN(Cc1nc(-c2ccccn2)no1)S(=O)(=O)c1ccccc1,CID1861514,,0.0,,0.0,,,,,,,,0.0,,,,0.0,0.0
CN(Cc1nc(-c2ccccn2)no1)S(=O)(=O)c1ccc(Cl)cc1,CID1300325,,0.0,0.0,0.0,0.0,,,,0.0,,,,0.0,,,,0.0
Cn1c(=O)c2c(nc(CN3CCN(CCO)CC3)n2CCc2ccccc2)n(C)c1=O,CID4092884,,,,0.0,,,,,0.0,0.0,,,0.0,,0.0,,
CN1CCN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2CCc2ccccc2)CC1,CID4896074,,0.0,,0.0,,,,,,,,,,,,,
CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCc2ccccc2)CC1,CID1089327,,0.0,,,,,,,,0.0,,,0.0,,,,
CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCc2ccccc2)CC1,CID2991858,0.0,0.0,,,,,,0.0,,0.0,,,0.0,,,,
CSc1ccccc1NC(=O)Cn1c(-c2cscn2)nc2ccccc21,CID1520613,0.0,0.0,0.0,0.0,0.0,,0.0,,,0.0,0.0,,0.0,,,,
O=C(Cn1c(-c2cscn2)nc2ccccc21)Nc1cc(F)ccc1F,CID5189629,,,,,,,,,,,,,,,0.0,,
O=C(Cn1c(-c2cscn2)nc2ccccc21)Nc1ccccc1F,CID1266440,,,,,,,,,,0.0,0.0,,,,,,
O=C(Cn1c(-c2cscn2)nc2ccccc21)Nc1ccc(Cl)cc1,CID1139867,,,,,,,,,,,,0.0,,,0.0,,
COc1ccc(OCC(=O)Nc2nc3ccccc3[nH]2)cc1,CID2583862,,,,,,,,,0.0,,,0.0,,0.0,,,
O=C(COc1ccccc1)Nc1nc2ccccc2[nH]1,CID2583647,,0.0,,,,,,,,,,0.0,,,,,
Cc1cc(C)c(OCC(=O)Nc2nc3ccccc3[nH]2)c(C)c1,CID2583301,,,,,,,,,,,,,,0.0,,,
CCC(Oc1ccccc1)C(=O)Nc1nc2ccccc2[nH]1,CID2932700,,,,,,,0.0,,,,,,,,,0.0,
COc1cccc2c1nc(C)c1cc(C)oc12,CID929015,,,0.0,,,,,,0.0,,,,,,,,
CCCCN(CC)CCNC(=O)c1cc2c(C)nc3ccccc3c2o1,CID5307307,,0.0,,,,,,,,,,,,,,,
COc1ccc2nc(C)c3cc(C)oc3c2c1,CID760888,,,,,,,,,0.0,,,,0.0,,,0.0,
CCCN(CCC)CCNC(=O)c1cc2c(C)nc3ccccc3c2o1,CID3245118,,,0.0,,,0.0,,0.0,,,,,0.0,,,,
CC(Oc1ccc(Cl)cc1Cl)C(=O)N(Cc1ccco1)C1CCS(=O)(=O)C1,CID664726,,,,,,,,,,0.0,,,,,,,
O=C(COc1ccccc1Cl)N(Cc1ccco1)C1CCS(=O)(=O)C1,CID664035,,,,0.0,,,,,,0.0,,,,,,,
CC(Oc1ccccc1Cl)C(=O)N(Cc1ccco1)C1CCS(=O)(=O)C1,CID664047,,,0.0,0.0,,,0.0,,,,,,,,,0.0,
O=C(COc1ccccc1)N(Cc1ccco1)C1CCS(=O)(=O)C1,CID664006,,,,,,,,,0.0,0.0,,,0.0,,,0.0,
COc1ccc(-c2noc(CSc3nc4ccccc4c(=O)n3-c3ccc(C)cc3)n2)cc1,CID11957223,,,,,,0.0,,,,,,0.0,,,,,
COc1ccc(-c2noc(CSc3nc4ccccc4c(=O)n3-c3ccccc3)n2)cc1,CID2226145,,,0.0,0.0,0.0,,,0.0,,,0.0,,,,,0.0,
COc1ccc(-c2noc(CSc3nc4ccccc4c(=O)n3-c3ccccc3)n2)cc1OC,CID1255988,,,,0.0,,,0.0,0.0,,,0.0,,,,,,
O=c1c2ccccc2nc(SCc2nc(-c3ccccc3)no2)n1-c1ccc(F)cc1,CID1520392,0.0,,0.0,,0.0,,,,,,,,,,,,
Cc1ccc(Nc2cc(=O)n(C3CCCCC3)c(=O)[nH]2)cc1C,CID3237829,0.0,,,,,,,0.0,,,0.0,0.0,,,,,0.0
COc1ccc(Nc2cc(=O)n(C3CCCCC3)c(=O)[nH]2)c(OC)c1,CID3241461,0.0,0.0,,,,,,0.0,0.0,,,0.0,,,,,0.0
Cc1cc(C)cc(Nc2cc(=O)n(C3CCCCC3)c(=O)[nH]2)c1,CID3236251,0.0,,0.0,,,,,,,,0.0,0.0,,,,0.0,
CCc1ccc(Nc2cc(=O)n(C3CCCCC3)c(=O)[nH]2)cc1,CID3240683,0.0,0.0,0.0,,,,,,,,0.0,0.0,,0.0,,,0.0
Cc1csc(SCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)n1,CID2092522,,,,,,,,,0.0,0.0,0.0,,,,,,
Cc1csc(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)n1,CID2533050,,,,,,,,,,0.0,,0.0,,,,,
CCCn1c(N)c(C(=O)CSc2nc(C)cs2)c(=O)n(C)c1=O,CID2540551,,,,,,0.0,,,0.0,,,,,,,,
CCOC(=O)Cc1csc(SCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)n1,CID2571288,,,,,0.0,,,,,0.0,0.0,,,,,,
CC(C)CN(CC(C)C)c1nnc(NC(=O)Cn2c(=O)oc3ccccc32)s1,CID6620326,,,,,,0.0,,,,,0.0,,,,,,
CCc1nnc(NC(=O)Cn2c(=O)oc3ccccc32)s1,CID2542352,,,,,,,,,0.0,,0.0,,,,,,
CCCc1nnc(NC(=O)Cn2c(=O)oc3cc(Br)ccc32)s1,CID2220143,,,,,,,,,0.0,,0.0,,,,,,
CCCc1nnc(NC(=O)Cn2c(=O)oc3ccccc32)s1,CID2201162,,0.0,,,,,,,,,,0.0,,,,0.0,0.0
O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NCCc1ccccc1,CID1152569,0.0,0.0,,,0.0,,,0.0,,0.0,,,,,,,0.0
COc1ccc(CCNC(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1OC,CID651239,,,,,0.0,,,,,,,,,,,,0.0
COc1ccccc1CCNC(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1,CID1152712,0.0,,,,0.0,,,,,,,,,,,,0.0
COc1ccc(CCNC(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1,CID648324,0.0,,,,0.0,,,,,0.0,,,,,,,0.0
COCCn1nnnc1CN(Cc1ccco1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3,CID3213030,,,,,,,,,,0.0,,,,,,,
CCC(C)(C)n1nnnc1C(C(C)C)N(Cc1ccco1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3,CID3204316,,,,,,,,,,,,0.0,,,,,
CCC(C)(C)n1nnnc1CN(Cc1ccco1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3,CID645377,,,0.0,,,,,,,0.0,,0.0,0.0,,,,
CC(C)(C)n1nnnc1CN(Cc1ccco1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3,CID648222,,,,,,,0.0,,,0.0,,0.0,,,,,0.0
CC(C)Cc1nc(N2CCC(C(N)=O)CC2)c2nnn(Cc3ccccc3)c2n1,CID647830,,,,,,,,,,0.0,,,,,,,
CCOC(=O)C1CCN(c2ncnc3c2nnn3Cc2ccccc2Cl)CC1,CID3228207,,,,,,,,,,,,,,0.0,,,
Cc1nc(N2CCC(C(N)=O)CC2)c2nnn(Cc3ccccc3)c2n1,CID649418,,0.0,,,,,,,,,0.0,,,,,,
OC1CCN(c2ncnc3c2nnn3Cc2c(F)cccc2Cl)CC1,CID644683,0.0,0.0,0.0,,,,0.0,,,,0.0,,,,,,
O=C(Oc1ccc2c(c1)OCO2)c1ccc(F)cc1Cl,CID2669378,,,,,,,,,,,,0.0,,,,,0.0
COc1cc(OC)c(C(=O)Oc2ccc3c(c2)OCO3)cc1OC,CID2669375,,,,,,,,,,,0.0,,,,,,
CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2ccc3c(c2)OCO3)cc1,CID2669371,,,0.0,,,,,,0.0,0.0,,,,0.0,,0.0,
COc1ccc(C(=O)Oc2ccc3c(c2)OCO3)cc1OC,CID886372,,,,,,,,,0.0,,,,,,,,
Cc1cccc2nc(CSc3ccccc3N)cn12,CID3122810,,,,,,,,,,,,0.0,,,0.0,,
Cc1cccn2cc(CSc3ccccc3N)nc12,CID1263982,,,,,,0.0,,,,,,,,,,,
Nc1ccccc1SCc1cn2ccccc2n1,CID699701,,0.0,,0.0,,,,,,,,,,,,,
Cc1ccn2cc(CSc3ccccc3N)nc2c1,CID1509139,,,,,,,,,,,,0.0,,,0.0,,
O=C(CS(=O)(=O)c1cn(Cc2ccc(F)cc2)c2ccccc12)N1CCOCC1,CID2053121,,,,,,,,,,,,,,0.0,,,
O=C(CS(=O)(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12)N1CCOCC1,CID2157647,0.0,,,,0.0,,,,,0.0,,,,,,,
O=C(CS(=O)(=O)c1cn(Cc2ccccc2Cl)c2ccccc12)N1CCOCC1,CID2157658,,,,,,,,,,0.0,,0.0,,,,,
O=C(CS(=O)(=O)c1cn(Cc2cccc(F)c2)c2ccccc12)N1CCOCC1,CID2053114,,,,,,,,,,,,,0.0,,,,
Cc1ccc(C(=O)Oc2ccccc2N2C(=O)C3CCCCC3C2=O)cc1,CID2925767,,,,,,0.0,,,,,,,,,0.0,,
O=C(Oc1ccccc1N1C(=O)C2CCCCC2C1=O)c1ccccc1,CID4694793,,,,,,,,,,,,,,0.0,,,
O=C(Oc1ccccc1N1C(=O)C2CCCCC2C1=O)c1ccc(Cl)cc1,CID3578380,,,,,,,,,,,,0.0,,,,,
CC1CCC2C(=O)N(c3ccccc3OC(=O)c3ccccc3)C(=O)C2C1,CID4983290,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(-c2c(=O)n(OCc3ccccn3)c3ccccc3[n+]2[O-])cc1,CID1289105,,,,,,0.0,,,0.0,,,0.0,,,,,
O=c1c(-c2ccc(Cl)cc2)[n+]([O-])c2ccccc2n1OCc1ccccn1,CID1288557,,,,,,,,,,,,,,0.0,,,
Cc1ccc(-c2c(=O)n(OCc3ccccn3)c3ccccc3[n+]2[O-])cc1,CID1288675,,,,,,,,,,,,0.0,,0.0,,,
COc1ccc(-c2c(=O)n(OCc3ccccn3)c3ccccc3[n+]2[O-])cc1OC,CID1287840,0.0,,,,,,0.0,,0.0,0.0,,,0.0,,,,
COc1cccc(-c2nc(CS(=O)(=O)CC(=O)NCc3ccccc3OC)c(C)o2)c1,CID5307282,,,0.0,,,,,0.0,,,,,,,,0.0,
COc1cccc(-c2nc(CS(=O)(=O)CC(=O)NCc3ccccc3)c(C)o2)c1,CID5308848,,,0.0,,,,,,,,,,,,,,
Cc1ccccc1-c1nc(CS(=O)(=O)CC(=O)NCc2ccccc2)c(C)o1,CID5309205,,,,0.0,,,,0.0,,,0.0,,0.0,,,,
COc1cccc(-c2nc(CS(=O)(=O)CC(=O)NCc3ccc(Cl)cc3)c(C)o2)c1,CID5308507,0.0,,0.0,,,,,,,,,,,,,,
CC1CCCN(C(=O)CN2C(=O)c3ccccc3C2=O)C1,CID2891087,,,,,,,,,,,,,0.0,,,,
O=C(CN1C(=O)c2ccccc2C1=O)N1CCCCC1,CID722750,,,,,,,0.0,0.0,,,,,0.0,,0.0,,
CCOC(=O)C1CCCN(C(=O)CN2C(=O)c3ccccc3C2=O)C1,CID2905134,,,0.0,,,,,0.0,,,,,0.0,,0.0,0.0,
CC(C(=O)N1CCCCC1)N1C(=O)c2ccccc2C1=O,CID660902,,,0.0,0.0,,,,,,,,,,,0.0,,
CCCn1c(NCc2ccc3c(c2)OCO3)nc2ccccc21,CID749148,0.0,,,,,,,,,,,,0.0,,0.0,0.0,
CCCCn1c(NCc2ccc3c(c2)OCO3)nc2ccccc21,CID3116461,,,,,,,,,,,,0.0,,,,,
C=CCn1c(NCc2ccc3c(c2)OCO3)nc2ccccc21,CID653029,,,,,,0.0,,,,,,0.0,,,,0.0,
CCn1c(NCc2ccc3c(c2)OCO3)nc2ccccc21,CID791420,,,,,,,,,,,,,,,0.0,,
COc1ccc(Nc2oc(-c3ccc(Cl)cc3)nc2C#N)cc1,CID702131,,,,,,0.0,,,,,,,,,0.0,,
CCOc1ccc(Nc2oc(-c3ccc(Cl)cc3)nc2C#N)cc1,CID946241,,,,,,0.0,,,,,,,,,,,
COc1ccc(Nc2oc(-c3ccccc3Cl)nc2C#N)cc1,CID946201,,0.0,0.0,,,,,,,,,,,0.0,,,0.0
CCOc1ccc(Nc2oc(-c3cccc(Cl)c3)nc2C#N)cc1,CID1242473,,,,,,,,,,,,,,0.0,,,
c1ccc(NCc2nnc3n2CCCCC3)cc1,CID2310790,,0.0,,0.0,,,,,,,,0.0,,0.0,,0.0,
Cc1ccc(NCc2nnc3n2CCCCC3)cc1,CID2310793,,,,,,0.0,,,,,,0.0,,,,0.0,
Brc1ccc(NCc2nnc3n2CCCCC3)cc1,CID2331437,0.0,,,,,,,,0.0,,,0.0,,,,0.0,0.0
Clc1ccc(NCc2nnc3n2CCCCC3)cc1,CID659545,0.0,0.0,,,,,0.0,,,0.0,0.0,0.0,,,,0.0,0.0
CC(OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)c1ccccc1,CID3158538,,,,,,,,,,,,,,,0.0,,
Cc1ccc2[nH]c(=O)cc(C(=O)OCC(=O)c3ccccc3)c2c1,CID747118,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C(=O)COC(=O)c2cc(=O)[nH]c3ccccc23)cc1C,CID1918024,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C(=O)COC(=O)c2cc(=O)[nH]c3ccccc23)cc1,CID955509,,,,,,,,,,,,,,,0.0,,
Cc1cccc(NC(=O)c2cccs2)n1,CID573775,,0.0,,,0.0,,,,,,,,0.0,,0.0,,0.0
O=C(Nc1ccccn1)c1cccs1,CID759105,,,,,,,,,,,,,,,0.0,,
Cc1nc(NC(=O)c2cccs2)ccc1Br,CID834138,,,,,,,,,,,,,,0.0,,,
CCN(CC)S(=O)(=O)c1csc(C(=O)Nc2ccccn2)c1,CID648487,,,0.0,,0.0,,,,0.0,0.0,0.0,,0.0,0.0,,,
C=CCN1/C(=N/C(=O)CC)SC2CS(=O)(=O)CC21,CID3355650,,,,,,0.0,,,,,,,,,,,
C=CCN1/C(=N/C(=O)CCCC(=O)O)SC2CS(=O)(=O)CC21,CID665807,,,,,0.0,,0.0,,,,,0.0,,,,,
C=CCN1/C(=N/C(=O)CCC(=O)O)SC2CS(=O)(=O)CC21,CID3848800,,,,,,0.0,,,,,,,,,,,
C=CCN1/C(=N/C(=O)CCC)SC2CS(=O)(=O)CC21,CID4517116,,,,,,0.0,,,,,0.0,,,,,,
O=C(/C=C/c1ccccc1Cl)NCc1ccco1,CID692527,,,,,,0.0,,,,,,,,0.0,,,
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCc1ccco1,CID2164820,,,,,,,,,,,,,,,0.0,,
O=C(/C=C/c1ccccc1)NCc1ccco1,CID732131,,,,,,,,,,,,,,0.0,,,
N#C/C(=C/c1ccccc1[N+](=O)[O-])C(=O)NCc1ccco1,CID2347027,,,,,,,,,,,,,,,0.0,,
Cc1cccc(OCc2nnc(NC(=O)c3cccs3)s2)c1,CID921617,,,,,,0.0,,,,0.0,0.0,,,,0.0,,
CCc1ccc(OCc2nnc(NC(=O)c3cccs3)s2)cc1,CID878432,,,,,,,,,0.0,,0.0,,,0.0,0.0,,
O=C(Nc1nnc(COc2ccc(F)cc2)s1)c1cccs1,CID665376,0.0,0.0,,,0.0,,0.0,,,,,,0.0,,0.0,,
O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)c1cccs1,CID1086855,,,0.0,,,,,,0.0,,,,,0.0,,,
CC(C)(C)C(=O)C(Cc1ccccc1)n1cncn1,CID4293121,,,,,,,,,,0.0,,,,,,,
CC(C)(C)C(=O)C(Cc1ccccc1Cl)n1cncn1,CID3748282,,,,,,,,,,,,0.0,,,,,
OC(Cn1cncn1)c1ccc(Cl)cc1,CID558062,,,0.0,,,,,,,0.0,,,,,0.0,0.0,
OC(Cn1cncn1)c1ccc(Cl)cc1Cl,CID662857,0.0,,,,,,,,,,,,0.0,,,,
CCOc1cccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccncc2)c1,CID652592,,,,,,,0.0,,0.0,,,,,,,,
C=CCOc1cccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccncc2)c1,CID646495,,,0.0,,,,,,0.0,,,,,,,,
CCOc1cccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2ccncc2)c1,CID648068,,,0.0,,,0.0,,0.0,0.0,0.0,,,,,0.0,,
C=CCOc1cccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2ccncc2)c1,CID652682,0.0,,,,,,,0.0,0.0,0.0,,,,,,0.0,
CSc1nc2ccccc2n1CC(=O)N1CCCCC1,CID650757,,0.0,,0.0,,,0.0,0.0,,,0.0,0.0,,0.0,,,0.0
CCSc1nc2ccccc2n1CC(=O)N1CCCCC1,CID650759,,,,0.0,,0.0,0.0,,,,,,0.0,,0.0,0.0,0.0
NC(=O)CS(=O)(=O)c1nc2ccccc2n1CC(=O)N1CCCCC1,CID1251517,,,,,,,,0.0,,,,,,,,0.0,
CCS(=O)(=O)c1nc2ccccc2n1CC(=O)N1CCCCC1,CID934575,,,,,,,,0.0,0.0,,,,,,,,0.0
CCn1c(=O)c2c(nc(SCc3ccccn3)n2C)n(C)c1=O,CID650756,,,,0.0,,,,0.0,,,,,,,,,
CCCn1c(SCc2ccccn2)nc2c1c(=O)n(C)c(=O)n2C,CID651970,,0.0,,,,,,0.0,,,,,,,,,
Cn1c(=O)c2c(nc(SCc3ccccn3)n2C)n(C)c1=O,CID702291,,0.0,,,,,,,,0.0,,,,,,,
CCCCn1c(SCc2ccccn2)nc2c1c(=O)n(C)c(=O)n2C,CID3186660,,,,,,,,,,,0.0,,,,,,
Cc1ccc(N2CC(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)CC2=O)cc1,CID3105235,,,,,,,,,,,,0.0,,,,,
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)C1CC(=O)N(c2ccc(Cl)cc2)C1,CID3098857,,,,,,0.0,,,,,,,,,,,
CCc1ccc(N2CC(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)CC2=O)cc1,CID2883587,,,,,,0.0,,,,,,0.0,,,,,
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)C1CC(=O)N(c2ccc(F)cc2)C1,CID2883791,,,,,,,,,,,,,,0.0,,,
CCCN(CCC)CCCNC(=O)c1cn(CCOC)c(=O)c2c1c1ccccc1n2C,CID3236533,,,,0.0,,,0.0,,,,,,,,,,
COCCCNC(=O)c1cn(CC(C)C)c(=O)c2c1c1ccccc1n2C,CID5322831,,,,,,,,,0.0,,,,,,,,
CCN(CC)CCCNC(=O)c1cn(CCOC)c(=O)c2c1c1ccccc1n2C,CID3238525,,,,,,,,0.0,,,0.0,0.0,,,,,
CC(C)Cn1cc(C(=O)NCCCOC(C)C)c2c3ccccc3n(C)c2c1=O,CID5322849,,,,,,,,,,,0.0,,,,,,
Cc1ccc(-n2cc(C(C)(C)C)[nH]c2=S)cc1,CID3237665,,,,,0.0,,,,,,,,0.0,,,,
CC(C)(C)c1cn(-c2ccc(F)cc2)c(=S)[nH]1,CID3380836,,,,,,,,,,,,0.0,,,,,
CC(C)(C)c1cn(-c2ccccc2)c(=S)[nH]1,CID3244898,,,,,0.0,,0.0,,,,,,0.0,,,,
O=C(O)c1c[nH]c(=S)n1-c1ccc(F)cc1,CID2113993,,,,,,,,,,,,,,,0.0,,
N#C/C(=C/c1ccc(N2CCOCC2)o1)c1ccc(Br)cc1,CID2274766,,,,,,,,,,,,0.0,,,0.0,,
N#C/C(=C\c1ccc(N2CCOCC2)o1)c1ccccc1,CID802293,,,,,,,,,,,,,,0.0,,,
N#C/C(=C/c1ccc(N2CCOCC2)o1)c1ccc(Cl)cc1,CID1918048,,,,,,0.0,,,,,,,,,,,
Cc1ccc(/C(C#N)=C\c2ccc(N3CCOCC3)o2)cc1,CID2301821,,,,,,,,,,,,0.0,,0.0,,,
Cc1cccc(C)c1NC(=O)Cn1nc(-c2ccccc2)nc1-c1ccccc1,CID1147433,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C)c(NC(=O)Cn2nc(-c3ccccc3)nc2-c2ccccc2)c1,CID995141,,,,,,0.0,,,,,,0.0,,,,,
Cc1cc(C)c(NC(=O)Cn2nc(-c3ccccc3)nc2-c2ccccc2)c(C)c1,CID995138,,,,,,,,,,,,,,,0.0,,
Cc1ccccc1NC(=O)Cn1nc(-c2ccccc2)nc1-c1ccccc1,CID1207040,,,,,,,,,,,,,,,0.0,,
O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)c1ccc(F)cc1,CID1457216,0.0,,,,,0.0,,,,,,,,,,,0.0
Cc1ccc(C(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)cc1,CID652309,,,0.0,,0.0,,,,,,,,,,,,
O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)c1ccccc1,CID1081727,0.0,,0.0,,0.0,0.0,,,,,,,,,,0.0,
O=C(CSc1nnc(-c2ccc(Br)o2)n1Cc1ccccc1)c1ccccc1F,CID2517024,0.0,,,,,,,,0.0,,,,,,,,
O=C1CCCc2nc3nc4ccccc4n3cc21,CID666685,,,,0.0,,,0.0,0.0,,,,,0.0,,,,
Cc1c2c(nc3nc4ccccc4n13)CC(C)(C)CC2=O,CID666644,,0.0,,,,,,,,,,,0.0,,,,
Cc1c2c(nc3nc4ccccc4n13)CCCC2=O,CID666569,,,0.0,,,,,,,,,,,,0.0,,
CC1(C)CC(=O)c2cn3c(nc2C1)nc1ccccc13,CID666060,,,,,,,,0.0,,0.0,,0.0,0.0,,,,
Cc1ccc(CSCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,CID4229853,,,,,,,,,,,,,,0.0,,,
O=C(CSCc1cccc(F)c1)N1CCN(c2ccccc2)CC1,CID3235741,,,,,,,0.0,,,,,,,,,0.0,0.0
O=C(CSCc1ccc(F)cc1)N1CCN(c2ccccc2)CC1,CID4662682,,,,,,0.0,,,,,,,,,,,
O=C(CSCc1ccccc1)N1CCN(c2ccc(F)cc2)CC1,CID807803,,,,,,,,,,,,,0.0,,,,0.0
COc1cccc(C(=O)NC2=NCCS2)c1OC,CID1246268,,,0.0,,0.0,,0.0,0.0,,,,,,,,,
CC(C)Oc1cccc(C(=O)NC2=NCCS2)c1,CID955794,,,,,,,,,,,,,,0.0,,,
COc1cccc(C(=O)NC2=NCCS2)c1,CID669435,,,0.0,0.0,0.0,,,0.0,,,,,0.0,,,,
CCN(CC)S(=O)(=O)c1cc(C(=O)NC2=NCCS2)ccc1Cl,CID2376550,,,,,,,,,0.0,,,,,0.0,,,
CCC(CC)C1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21,CID3128148,,,,,,,,,,,0.0,,,,,,
CC(C)CC1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21,CID3120784,,,,0.0,,,0.0,,0.0,,,,,,,,
CCCC(C)C1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21,CID2881724,,,,0.0,,,,,,,0.0,,,,,,
CCCC1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21,CID3154914,,,,,,,,,,,0.0,,,0.0,,,
Cn1c(=O)c2cc(S(=O)(=O)NCCC(=O)Nc3ccc(F)cc3F)ccc2n(C)c1=O,CID16195419,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)cc1,CID3239372,,,,,0.0,,,,0.0,,,,,,,,
Cn1c(=O)c2cc(S(=O)(=O)NCCC(=O)Nc3ccc(Cl)cc3)ccc2n(C)c1=O,CID3238811,,,,,0.0,,,,,,,,,,,0.0,
COc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)cc1,CID3237938,,,,,0.0,,,,,,,,,,,0.0,0.0
COCCn1nnnc1CN(CCc1ccc(OC)c(OC)c1)Cc1cc2ccc(C)cc2[nH]c1=O,CID646745,,,0.0,,,,,,,,,0.0,,,,,
COCCn1nnnc1CN(CCc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O,CID650710,,0.0,0.0,,,,,,,,,,,,,,
CCOC(=O)Cn1nnnc1CN(CCc1ccccc1)Cc1cc2cc(CC)ccc2[nH]c1=O,CID1170767,,,,,,,,,0.0,0.0,,0.0,,,,,
COCCn1nnnc1CN(CCc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O,CID3199035,,,,,,,,,,,0.0,,,,,,
COc1cccc(N(CC(=O)N2CCc3ccccc3C2)S(C)(=O)=O)c1,CID1000628,,,,,,,,,0.0,,,,,,0.0,,
COc1ccc(N(CC(=O)N2CCc3ccccc3C2)S(C)(=O)=O)cc1,CID1135496,,,,,,,,,0.0,0.0,0.0,,,,,,
COc1ccc(N(CC(=O)N2CCc3ccccc3C2)S(C)(=O)=O)cc1OC,CID1001130,,,,,,,,,0.0,0.0,,,,,,,
COc1ccccc1N(CC(=O)N1CCc2ccccc2C1)S(C)(=O)=O,CID987986,,,,,,,,,,,,,,0.0,,,
O=C(Cc1cccs1)NCc1ccc(F)cc1,CID803077,,,0.0,,0.0,,0.0,,,,,,,,,,
Cc1ccc(CNC(=O)Cc2cccs2)cc1,CID670058,,,,,,,,,,0.0,,,,,,,
O=C(Cc1cccs1)NCc1ccccc1,CID1547938,,,,,0.0,,0.0,0.0,,0.0,,,0.0,,,,
O=C(Cc1cccs1)NCc1ccccc1F,CID1246492,,,,0.0,0.0,,0.0,,,,,,,,,,
CCOC(=O)C1CCCN(c2c(Nc3cccc(C)c3)c(=O)c2=O)C1,CID5307580,,,,,,0.0,,,,,,,,,,,
CCOC(=O)C1CCCN(c2c(Nc3cc(C)cc(C)c3)c(=O)c2=O)C1,CID9550431,,,,,,0.0,,,,,,,,,,,
CCOC(=O)C1CCCN(c2c(Nc3ccc(C)c(C)c3)c(=O)c2=O)C1,CID5307704,,,0.0,,,,,0.0,,,,,,,,0.0,
CCOC(=O)C1CCCN(c2c(Nc3ccc(OCC)cc3)c(=O)c2=O)C1,CID9550919,,,,,,0.0,,,,,,,,,0.0,,
CCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1ccco1,CID2963440,,,,0.0,0.0,,,,,,,,0.0,,0.0,,0.0
Cn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1ccco1,CID645691,0.0,0.0,,0.0,0.0,,,,,,,,0.0,,,,0.0
CCCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1ccco1,CID652236,0.0,,,,0.0,,0.0,0.0,,,,,0.0,,,0.0,
C=CCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1ccco1,CID662541,,0.0,,0.0,0.0,,,,,,0.0,,,,,,0.0
Cc1ccccc1OCC(O)Cn1nnc2ccccc21,CID3133140,,,,,,,,,0.0,,,,,,,,
CCC(=O)c1ccc(OCC(O)Cn2nnc3ccccc32)cc1,CID5295166,,,,,,,,,,,,,,,0.0,,
CC(=O)c1ccc(OCC(O)Cn2nnc3ccccc32)cc1,CID2917526,,0.0,,,0.0,0.0,,0.0,,,,0.0,,0.0,,,
COC(=O)c1ccc(OCC(O)Cn2nnc3ccccc32)cc1,CID659056,,,0.0,,0.0,,,0.0,0.0,,,,0.0,,,,
O=C(NCCSCc1ccccc1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1,CID1798712,,,,,,,,,0.0,,,,,,,,
Cc1ccccc1CSCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1,CID1798711,,,,,,,,,0.0,,,,,,,,
O=C(NCCSCc1ccccc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F,CID3239698,,,,,0.0,,0.0,,,,,,,,,,
Cc1ccc(CSCCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1,CID1798703,,,,,,,,,0.0,,0.0,,,,,,
CC(C)CCn1c(N2CCN(Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C,CID645999,,,0.0,,,,,,,0.0,,,0.0,,,,
CCCCCn1c(N2CCN(Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C,CID659429,,0.0,,0.0,,,,,,,,,,,,,0.0
CCCn1c(N2CCN(Cc3cccc(C)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C,CID2985789,,0.0,,,,,,,,,,0.0,,,,,
CCCCCCn1c(N2CCN(Cc3ccccc3Cl)CC2)nc2c1c(=O)[nH]c(=O)n2C,CID666833,0.0,,,,,,,,,,,,0.0,,,,
Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCOCC3)ccc2C)cc1,CID2228208,,0.0,,0.0,,,,0.0,,0.0,,,,,,,
Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCOCC3)c2)cc1,CID2354977,,,,0.0,,,,0.0,,,,,,,,,
Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCOCC3)ccc2C)cc1C,CID1264047,,,,,,,,,,,,,,,,0.0,
Cc1ccc(C(=O)N2CCOCC2)cc1S(=O)(=O)Nc1cccc(C)c1C,CID1260713,,,,,,,,0.0,,,,,0.0,0.0,,0.0,0.0
CCNc1nc(Oc2ccc(=O)n(C)n2)nc(N2CCOCC2)n1,CID1520087,0.0,0.0,,,,,,,0.0,,,,0.0,,,,
CNc1nc(Oc2ccc(=O)n(C)n2)nc(N2CCOCC2)n1,CID1520085,,,,,,,,,,,,,,0.0,,,
CN(C)c1nc(Oc2ccc(=O)n(C)n2)nc(N2CCOCC2)n1,CID663994,,,,,,,0.0,,,,,,0.0,,,,
COc1nc(Oc2ccc(=O)[nH]n2)nc(N2CCOCC2)n1,CID972407,,0.0,,,,,,,,,,,,,,,
COc1ccc(OC)c(N(CC(=O)Nc2cccnc2)S(C)(=O)=O)c1,CID1145331,,,,,,,,,0.0,,,,,0.0,,,
COc1ccccc1N(CC(=O)Nc1cccnc1)S(C)(=O)=O,CID700335,,0.0,,0.0,,,,,0.0,,0.0,,,,,,0.0
CC(=O)c1cccc(N(CC(=O)Nc2cccnc2)S(C)(=O)=O)c1,CID1249887,,,,,,,0.0,,0.0,,,0.0,,,,0.0,0.0
CCOc1ccccc1N(CC(=O)Nc1cccnc1)S(C)(=O)=O,CID816069,,,,,,,,,0.0,,,,,,,,
O=C(NCCCn1ccnc1)C(=O)NCc1ccccc1,CID3113581,,,,,,,,,0.0,,,0.0,,,,,
O=C(NCCCn1ccnc1)C(=O)NCc1ccc(Cl)cc1,CID580547,,,,,,,,,,,,,,,0.0,,
Cc1ccc(CNC(=O)C(=O)NCCCn2ccnc2)cc1,CID3118074,,,,,,,,,0.0,,,0.0,,,,,
CC(C)c1ccc(CNC(=O)C(=O)NCCCn2ccnc2)cc1,CID2925166,,,,,,,,,,,,,,0.0,,,
Cc1ccc2[nH]cc(CCNC(=O)Nc3ccccc3)c2c1,CID1974966,,,,,,,,,,,0.0,,,,,,
O=C(NCCc1c[nH]c2ccccc12)Nc1ccccc1,CID728709,,,,,,,,,,0.0,0.0,,,,,,
Cc1cccc(NC(=O)NCCc2c[nH]c3ccccc23)c1,CID930990,,,,,,0.0,,,,,0.0,0.0,,,,,
N#Cc1cccc(NC(=O)NCCc2c[nH]c3ccccc23)c1,CID5309678,,,,,,,0.0,,,,,,,,,,
Cc1cc(Cl)ccc1OCCCC(=O)N1CCOCC1,CID2165175,,0.0,0.0,,,,,,,,,,0.0,,,,
Cc1ccc(OCCCC(=O)N2CCOCC2)cc1,CID1565370,,,,,,0.0,,,0.0,0.0,,,,,0.0,,
O=C(CCCOc1ccc(Cl)cc1)N1CCOCC1,CID1565330,,0.0,,,,,,,,,,,,,,0.0,
Cc1ccc(OCCCC(=O)N2CCOCC2)c(C)c1,CID1644451,,,0.0,,,,0.0,,0.0,0.0,,,0.0,,0.0,,
CN(C)c1ccc(CNC(=O)CN(C)S(=O)(=O)c2cccc3cccnc23)cc1,CID5308410,,0.0,,,,,,,,,,,,,,,
CN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1cccc2cccnc12,CID9550236,,,,,,0.0,,,,,,,,,,,
Cc1ccc(CNC(=O)CN(C)S(=O)(=O)c2cccc3cccnc23)cc1,CID5307689,,,0.0,0.0,,0.0,,0.0,0.0,,,0.0,0.0,,,,
CN(CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1cccc2cccnc12,CID9551427,,,,,,0.0,,,,,,,,,,,
Cc1ccccc1C(=O)NC1CCS(=O)(=O)C1,CID2942276,,,,,,,,,0.0,,,0.0,,,,,
CCOc1ccc(C(=O)N(C)C2CCS(=O)(=O)C2)cc1,CID2948429,,,0.0,,,,,,,,,,,,,0.0,
CN(C(=O)c1ccccc1)C1(C)CCS(=O)(=O)C1,CID2963568,,,0.0,,,,,0.0,0.0,,,0.0,,,,,0.0
CC(C)Oc1ccc(C(=O)NC2CCS(=O)(=O)C2)cc1,CID654412,,,0.0,,,,,0.0,0.0,,,,,,,,
Cc1cc(=S)[nH]c2c(C)cccc12,CID2118128,,,,,,,,,,,,,,,0.0,,
CCn1c(=S)ccc2ccc(OC)cc21,CID3239559,,,,,0.0,,0.0,,,0.0,,,,,,,
Cc1cc(=S)[nH]c2ccccc12,CID722350,,,,0.0,0.0,,,,,,,,,,0.0,0.0,
Cc1ccc2[nH]c(=S)cc(C)c2c1,CID2772318,,,,,0.0,,,,,,,,,0.0,,,
Cc1cc(C)n2nc(SCc3cc(=O)oc4cc(C)c(C)cc34)nc2n1,CID2492203,,,,,,,,,,,0.0,,,,,,
COc1ccc2c(CSc3nc4nc(C)cc(C)n4n3)cc(=O)oc2c1,CID2094420,,0.0,0.0,,,,0.0,,0.0,,0.0,,,,,,0.0
Cc1ccc2c(CSc3nc4nc(C)cc(C)n4n3)cc(=O)oc2c1,CID2478771,,,,,,,,,0.0,,0.0,0.0,,,,,
Cc1cc(C)n2nc(SCc3cc(=O)oc4cc(O)ccc34)nc2n1,CID5694035,,,,,,,,,1.0,,,,,,,,
COc1ccc(C(=O)Nc2nc(N)n(-c3ccccc3)n2)cc1OC,CID662026,,,,0.0,,,,0.0,,,,,,,,,
COc1cc(C(=O)Nc2nc(N)n(-c3ccccc3)n2)cc(OC)c1OC,CID665789,,,,,,,0.0,,,,,,,,,,0.0
Nc1nc(NC(=O)c2ccc(Cl)cc2)nn1-c1ccccc1,CID703014,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)Nc2nc(N)n(-c3ccccc3)n2)cc1,CID930814,,,,,,,,,,,,,,,0.0,,
COC(=O)c1ccc(CNC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2C)o1,CID2216658,,,0.0,,0.0,,0.0,,,,,,0.0,,,,
C=CCn1c(SCC(=O)NCc2ccco2)nc2sc(C)c(C)c2c1=O,CID1157096,,,,,,,,,0.0,0.0,,,,0.0,,,
Cc1sc2nc(SCC(=O)NCc3ccco3)[nH]c(=O)c2c1C,CID829482,0.0,0.0,,0.0,0.0,,0.0,,0.0,,0.0,,,,,,0.0
Cc1sc2nc(SCC(=O)NCc3ccco3)n(C)c(=O)c2c1C,CID1328705,0.0,0.0,,0.0,0.0,0.0,,,0.0,0.0,,,,0.0,,,
Cc1ccccc1-c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(NCCN2CCOCC2)o1,CID1244629,,,,,,,,,0.0,,0.0,0.0,,,,,
O=S(=O)(c1ccccc1)c1nc(-c2ccccc2Cl)oc1NCCN1CCOCC1,CID1244724,,,,,,,,,0.0,,,0.0,,,,,
O=S(=O)(c1ccc(F)cc1)c1nc(-c2ccc(F)cc2)oc1NCCN1CCOCC1,CID1244628,0.0,,,,0.0,,,,,0.0,,,,0.0,,,
Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)oc2NCCN2CCOCC2)cc1,CID1244626,0.0,,0.0,,0.0,,,0.0,,,0.0,,,,,,
O=c1c2c3nc4ccccc4nc3n(Cc3ccccc3)c2ncn1Cc1ccco1,CID660058,0.0,,,,,,,0.0,,,,,,,0.0,,
COc1ccc(Cn2c3nc4ccccc4nc3c3c(=O)n(Cc4ccco4)cnc32)cc1,CID660106,0.0,,,,,,,,,,,,,,,,
Cc1nc2c(c(=O)n1Cc1ccco1)c1nc3ccccc3nc1n2Cc1ccccc1,CID660260,0.0,,0.0,0.0,,,,,,,,,0.0,,,,
COc1ccc(Cn2c3nc4ccccc4nc3c3c(=O)n(Cc4ccco4)c(C)nc32)cc1,CID660894,0.0,,0.0,,,,0.0,,,,0.0,,,,,,
COc1ccc(-c2c(C)n([O-])c(C)c(C)[n+]2=O)cc1OC,CID648543,,,,0.0,,,,,,,,0.0,,,,0.0,
Cc1c(C)[n+](=O)c(-c2ccc(F)cc2)c(C)n1[O-],CID4114340,,0.0,,,,,0.0,,,,,,0.0,,,,
Cc1cc(-c2c(C)n([O-])c(C)c(C)[n+]2=O)ccc1F,CID2292015,,,0.0,,,,,,,,0.0,,,,,,
COc1ccc(-c2c(C)n([O-])c(C)c(C)[n+]2=O)cc1,CID2283314,,,,,,,,,,,,0.0,,,,,
COc1ccc(CN2C(=O)C3ON=C(c4ccccc4Cl)C3C2=O)cc1,CID666044,,0.0,0.0,0.0,,0.0,,,,,0.0,,,,,,
COc1ccc(CN2C(=O)C3ON=C(c4ccc(F)cc4)C3C2=O)cc1,CID665329,,,0.0,,,,,,,0.0,,,,,,,
O=C1C2ON=C(c3ccccc3Cl)C2C(=O)N1Cc1ccccc1,CID665068,,0.0,0.0,,,,,,,,,,0.0,0.0,,0.0,0.0
COc1cccc(C2=NOC3C(=O)N(Cc4ccccc4)C(=O)C23)c1OC,CID665965,,,0.0,,0.0,,,,,,,,0.0,,,,
O=C(COc1ccccc1)Nc1nonc1NC(=O)COc1ccccc1,CID2140530,,,,,,,,,,,,0.0,,,,,
Cc1cccc(OCC(=O)Nc2nonc2NC(=O)COc2cccc(C)c2)c1,CID1015484,,,,,,,,,,,0.0,0.0,,,,,
Cc1ccc(C)c(OCC(=O)Nc2nonc2NC(=O)COc2cc(C)ccc2C)c1,CID1015492,,,,,,,0.0,,,,0.0,0.0,,,,0.0,0.0
Cc1cc(C)cc(OCC(=O)Nc2nonc2NC(=O)COc2cc(C)cc(C)c2)c1,CID2207604,,,,,,,,,,,,0.0,0.0,,,,
CCn1c(=O)c2c3c(sc2n2cnnc12)CCC3,CID913020,,,,,,,,,,0.0,,,,,0.0,,
C=C(C)CSc1nnc2n(C)c(=O)c3c4c(sc3n12)CCC4,CID658091,0.0,,,0.0,,,0.0,,,,,,,,,,
CCCSc1nnc2n(C)c(=O)c3c4c(sc3n12)CCC4,CID658097,0.0,,0.0,,,,,,,,,,,,,,
Cn1c(=O)c2c3c(sc2n2cnnc12)CCC3,CID912235,,,,,,,,,,0.0,,,,,,,
CCOc1ccc(-c2nnc3ccc(SCc4ccc(C(=O)OC)o4)nn23)cc1,CID3237807,,,0.0,,,,,0.0,,0.0,,,0.0,,,,
COC(=O)c1ccc(CSc2ccc3nnc(-c4ccc(OC)c(OC)c4)n3n2)o1,CID3245474,,,,,,,,,,0.0,,,,,,0.0,
COC(=O)c1ccc(CSc2ccc3nnc(-c4cccc(F)c4)n3n2)o1,CID5310362,,,0.0,,,,,0.0,,,,,,,,,
COC(=O)c1ccc(CSc2ccc3nnc(-c4ccccc4)n3n2)o1,CID6620126,,,,,,,,,,0.0,,0.0,,,0.0,,
C/C(=N\N1CCN(c2ccccn2)CC1)c1cccc([N+](=O)[O-])c1,CID895890,,,,,,,,,,,,,,,0.0,,
O=[N+]([O-])c1cccc(/C=N/N2CCN(c3ccccn3)CC2)c1,CID760577,,,,,,,,,,,,,,,0.0,,
Cc1ccc(/C=N/N2CCN(c3ccccn3)CC2)cc1,CID4408518,,,,,,,,,,,,,,0.0,,,
C/C(=N\N1CCN(c2ccccn2)CC1)c1ccc([N+](=O)[O-])cc1,CID892902,,,,,,0.0,,,,,,0.0,,,0.0,,
Cc1cccc(N2CCN(C(=O)c3ccc(N4CCCC4=O)cc3)CC2C)c1,CID3239331,0.0,,0.0,,0.0,0.0,,,,,,,,,,,
COc1ccccc1N1CCN(C(=O)c2ccc(N3CCCC3=O)cc2)CC1,CID3236858,,,0.0,,,,,0.0,0.0,0.0,,,,,,,
O=C(c1ccc(N2CCCC2=O)cc1)N1CCN(c2ccccc2)CC1,CID758205,0.0,,,0.0,,,0.0,,,0.0,,,,,,,
Cc1cccc(N2CCN(C(=O)c3ccc(N4CCCC4=O)cc3)CC2)c1C,CID2511397,0.0,,,0.0,,,0.0,,,,,,,,,,0.0
CC(=O)C1C2c3ccccc3OC1(C)N=c1s/c(=C\c3cnn(C)c3)c(=O)n12,CID3241111,,,,,,,,,,,,0.0,0.0,,,,
COC(=O)C1C2c3ccccc3OC1(C)N=c1s/c(=C\c3cnn(C)c3C)c(=O)n12,CID3241092,,,,,,,,,,0.0,,,,,,,
COC(=O)C1C2c3ccccc3OC1(C)N=c1s/c(=C\c3cnn(C)c3)c(=O)n12,CID3236761,0.0,,0.0,,,,,0.0,,0.0,,,,,,,
COC(=O)C1C2c3ccccc3OC1(C)N=c1s/c(=C\c3cn(C)nc3C)c(=O)n12,CID3241658,,,,,,,,,,,0.0,0.0,,,,,
COc1cccc(NC(=O)c2ccc(C(=O)c3ccccc3)o2)c1,CID684794,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccc(O)cc1)c1ccc(C(=O)c2ccccc2)o1,CID777098,,0.0,,0.0,0.0,,,,0.0,,,,,,0.0,,
COc1ccc(NC(=O)c2ccc(C(=O)c3ccccc3)o2)cc1,CID777105,,,,,,,0.0,,,,,,,,,,
COc1ccccc1NC(=O)c1ccc(C(=O)c2ccccc2)o1,CID877814,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)cc(NC(=S)N2CCC(c3nc4ccccc4s3)CC2)c1,CID1430479,,,,,,,,,,,,0.0,,,,,
Cc1ccc(NC(=S)N2CCC(c3nc4ccccc4s3)CC2)cc1C,CID1430471,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C)c(NC(=S)N2CCC(c3nc4ccccc4s3)CC2)c1,CID1430276,,,,,,0.0,,,,,,,,,,,
Cc1cccc(NC(=S)N2CCC(c3nc4ccccc4s3)CC2)c1,CID1430262,,,,,,0.0,,,,,,,,,,,
CC(C)c1[nH]nc2c1C(c1cccc(OC(=O)N3CCOCC3)c1)C(C#N)=C(N)O2,CID3244886,,0.0,,,,,,0.0,,,,,,,,0.0,
CC(C)(C)c1[nH]nc2c1C(c1cccc(OC(=O)N3CCOCC3)c1)C(C#N)=C(N)O2,CID3243446,,,,,,,,,,0.0,,,0.0,,,0.0,0.0
Cc1[nH]nc2c1C(c1cccc(OC(=O)N3CCOCC3)c1)C(C#N)=C(N)O2,CID3235881,,0.0,0.0,,,,0.0,0.0,,,,,0.0,,,0.0,
CCc1[nH]nc2c1C(c1cccc(OC(=O)N3CCOCC3)c1)C(C#N)=C(N)O2,CID3245117,,0.0,,,,,,0.0,,,,,0.0,,,0.0,
CCCCCCCC1CC(CSc2ncn[nH]2)OC1=O,CID3125317,,,,,,,,,,0.0,0.0,,,,,,
CCCCC1CC(CSc2ncn[nH]2)OC1=O,CID2900235,,,,,,,,,,0.0,,,,,,,
CCCCCCC1CC(CSc2ncn[nH]2)OC1=O,CID650395,,,,0.0,,0.0,,0.0,,,,,,,0.0,,
CCC1CC(CSc2ncn[nH]2)OC1=O,CID2902822,,,,,,,,,,0.0,,,,,,,
Cc1cc(OCCSc2nnc(-c3cccs3)n2C)ccc1Cl,CID2201485,,,,,,0.0,,,0.0,,,,0.0,0.0,0.0,,
Cc1ccc(OCCSc2nnc(-c3cccs3)n2C)cc1,CID1781525,,,,,,,,,,0.0,,,,,,,
CCn1c(SCCOc2ccc(Cl)cc2)nnc1-c1cccs1,CID2077586,,0.0,,,,0.0,,,0.0,,,,,0.0,,,
Cn1c(SCCOc2ccccc2Cl)nnc1-c1cccs1,CID1781514,,,,,,,,,0.0,,,,,0.0,,,
CCOC(=O)C1=CN(C)C=C(C(=O)OCC)C1c1ccsc1,CID646475,,,0.0,,,,0.0,,,,,,,,,,
COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccsc1,CID621599,,,,,,,,,0.0,,,,,0.0,,0.0,
COC(=O)C1=CN(C)C=C(C(=O)OC)C1c1ccsc1,CID758704,,,,,,,,0.0,0.0,,,,,0.0,,,0.0
CCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OCC)C1c1ccsc1,CID623928,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccc4c(c3)OCO4)Cc3nnnn3Cc3ccco3)cc12,CID646473,,,,,,,,,,0.0,0.0,,,,,,
Cc1cc(C)c2cc(CN(Cc3ccc4c(c3)OCO4)Cc3nnnn3Cc3ccco3)c(=O)[nH]c2c1,CID645247,,,,,,,,,,,,0.0,,,,,
Cc1ccc2cc(CN(Cc3ccc4c(c3)OCO4)Cc3nnnn3Cc3ccco3)c(=O)[nH]c2c1C,CID652538,,,,,,,,,,0.0,,,,,,,
Cc1ccc2cc(CN(Cc3ccc4c(c3)OCO4)Cc3nnnn3Cc3ccco3)c(=O)[nH]c2c1,CID652102,,,,,,,,,,0.0,,0.0,,,,,
O=C(NCc1ccccn1)c1cc2ccccc2oc1=O,CID644836,,0.0,,,,,,,,0.0,,,,,,,
COc1cccc2cc(C(=O)NCc3ccccn3)c(=O)oc12,CID753170,,,,,,,,,,,0.0,,,,,,
O=C(NCc1ccccn1)c1cc2cc(Br)ccc2oc1=O,CID1244356,0.0,,,,,,0.0,,0.0,,,,,,0.0,0.0,0.0
COc1ccc2oc(=O)c(C(=O)NCc3ccccn3)cc2c1,CID1085576,,,,,,,,,,0.0,0.0,,,,,,
N#CCSc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1CC1CCCO1,CID644832,,,,,,,,,0.0,,,0.0,,,,0.0,
CSc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1CC1CCCO1,CID652990,,,0.0,,0.0,,,,0.0,,,,0.0,,,,0.0
NC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1CC1CCCO1,CID644482,,0.0,0.0,,,,,,,,,,,,,,
CCSc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1CC1CCCO1,CID649327,,,0.0,,0.0,,,,,,,,,,,0.0,
Cc1ccc(OCCCC(=O)NC(C)c2ccccc2)cc1,CID2790630,,,,,,0.0,,,,,0.0,,,,0.0,,
CCN(Cc1ccccc1)C(=O)CCCOc1ccccc1,CID2163990,0.0,,,0.0,,0.0,0.0,,,,0.0,,,,,,
COc1ccc(OCCCC(=O)NC(C)c2ccccc2)cc1,CID2791745,,,,,,,,,,,0.0,,,,,,
CC(NC(=O)CCCOc1ccc(Cl)cc1)c1ccccc1,CID2790654,,,,,,,,,,,,,,0.0,,,
CN(C)c1ccnc2sc3c(=O)n(-c4ccccc4)cnc3c12,CID699222,,0.0,0.0,0.0,,,,,,,,,,,,0.0,
COc1ccc(-n2cnc3c(sc4nccc(N(C)C)c43)c2=O)cc1,CID1208332,,0.0,,,,,,0.0,,,0.0,,,,,0.0,0.0
Cc1ccc(-n2cnc3c(sc4nccc(N(C)C)c43)c2=O)cc1,CID744275,0.0,0.0,,,,0.0,,0.0,,,0.0,,,,,0.0,0.0
CN(C)c1ccnc2sc3c(=O)n(-c4ccc(Cl)cc4)cnc3c12,CID1069776,,,,,,,,,,,0.0,,,,,,
CCc1ccc(NC(=O)C/C(C)=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1,CID4545295,,,,,,,,,,,,,,,0.0,,
COC(C(=O)N/N=C(\C)CC(=O)Nc1ccc(N(C)C)cc1)c1ccccc1,CID3105729,,,,,,,,,,,,,,,0.0,,
C/C(CC(=O)Nc1cccc(Cl)c1)=N\NC(=O)Cc1ccc(Cl)cc1,CID3129923,,,,,,,,,,,,0.0,,,,,
COc1ccc(Cl)cc1NC(=O)C/C(C)=N/NC(=O)Cc1ccccc1,CID3112914,,,,,,,,,,,,,,0.0,,,
O=C(NC(c1ccccc1)c1ccccc1)c1ccc(Br)o1,CID1292315,,,,,,,,,0.0,,,0.0,,,,,
CCOc1ccc(C(NC(=O)c2ccco2)c2ccc(OC)c(OC)c2)cc1,CID2883561,,,,,,,,,,0.0,0.0,,,,,,
COc1ccc(C(NC(=O)c2ccco2)c2ccc(OC)c(OC)c2)cc1OC,CID659093,,,0.0,0.0,,,,,,,,,,,,,
COc1ccc(C(NC(=O)c2ccco2)c2ccc(OC)c(OC)c2)cc1,CID2883514,,,,,,,0.0,,,,,,0.0,,,,
COc1ccc(C2N=C(c3ccccc3)C(C)(C)N2O)cc1OC,CID2842349,0.0,,,,0.0,0.0,,0.0,0.0,0.0,,,,,0.0,,
COc1ccc(C2N=C(c3ccccc3)C(C)(C)N2O)cc1,CID2834165,,,,,,,,,,0.0,,,,,,,
CC1(C)C(c2ccccc2)=NC(c2ccc(F)cc2)N1O,CID3235663,,,,,,,0.0,0.0,,,,0.0,,,,,
CC1(C)C(c2ccccc2)=NC(c2ccccc2)N1O,CID2834164,,0.0,,,,,,,,,,,,,0.0,,
CCC1C2CN(C(C)=O)CC=C2C(C#N)=C(N)C1(C#N)C#N,CID651824,,0.0,0.0,0.0,,,,,,,,,,,,,
CC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(C)C2C1,CID645651,,0.0,,,,,,0.0,,,,,,,,,
CCCC1C2CN(C(C)=O)CC=C2C(C#N)=C(N)C1(C#N)C#N,CID651126,,0.0,,0.0,,,,,,,,,,,,,
CCCC1C2CN(C(C)C)CC=C2C(C#N)=C(N)C1(C#N)C#N,CID646114,,,,,,,,,,,,,0.0,,,,
CCCCNC(=O)N1CCOCCOCCN(C(=O)NCCCC)CCOCC1,CID657657,,,,0.0,,,,,,0.0,,,,,0.0,0.0,
CCOC(=O)CCC(=O)N1CCOCCOCCN(C(=O)CCC(=O)OCC)CCOCC1,CID3839388,,,,,,,,,0.0,,,,,,,,
C1COCCNCCOCCOCCN1,CID123435,,,,,,,,,,,,0.0,,,0.0,,
CC(C)(C)OC(=O)N1CCOCCOCCN(C(=O)OC(C)(C)C)CCOCC1,CID645158,,,,,,,,,,,,,0.0,,,,
Cc1cccc(-n2c(SCC(=O)O)nc3sc4c(c3c2=O)CCCC4)c1,CID1304014,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccc(-n2c(SCC(=O)O)nc3sc4c(c3c2=O)CCCC4)cc1,CID1897665,,,,,,,,,,,,,,0.0,,,
COc1ccc(-n2cnc3sc4c(c3c2=O)CCCC4)cc1,CID760043,,,,,,,,,,,,,,0.0,,,
COc1ccc(-n2c(C)nc3sc4c(c3c2=O)CCCC4)cc1,CID343567,,,,,,,,,,,,,,0.0,,,
Cc1nc2oc(C(=O)c3ccc(Br)cc3)c(N)c2c2c1COC(C)(C)C2,CID657892,0.0,,,,,,0.0,,0.0,,,0.0,,,,,0.0
CCc1nc2oc(C(=O)c3ccccc3)c(N)c2c2c1COC(C)(C)C2,CID1075883,0.0,0.0,,,,,0.0,,0.0,,0.0,0.0,,,,,
Cc1nc2oc(C(=O)c3ccccc3)c(N)c2c2c1COC(C)(C)C2,CID705157,0.0,,,0.0,,,,,,,,0.0,,,,,
CCCc1nc2oc(C(=O)c3ccccc3)c(N)c2c2c1COC(C)(C)C2,CID1894276,,,,,,,,,0.0,,0.0,0.0,,,,,
COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(C)cs2)cc1,CID2116584,,,,,,,,,,,,,,,0.0,,
CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nccs2)cc1,CID2082282,,,,,,,,,0.0,,0.0,,,0.0,,,
CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nccs2)cc1,CID1548752,0.0,,0.0,,0.0,0.0,0.0,,,0.0,0.0,,0.0,0.0,0.0,,
Cc1csc(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)n1,CID2679354,,,,,,,,,0.0,,0.0,,,,,,
CCOC(=O)CSc1nc(=O)n2cc(C)ccc2n1,CID2769005,,,,,,,,,,,,,,,0.0,,
O=c1nc(C(F)(F)F)nc2ccccn12,CID752604,,,,,,,0.0,,,,,,,,,,0.0
Cc1cccc2nc(C(F)(F)F)nc(=O)n12,CID888621,,,,,,,,,,,,,,,,,0.0
CCOC(=O)C(C)Sc1nc(=O)n2ccccc2n1,CID2768954,,,,,,,,,,,,,,,0.0,,
COc1cccc(N(C(=O)CNC(=O)c2ccco2)C(C(=O)NC2CCCC2)c2ccncc2)c1,CID645399,,,,,,,0.0,,,,,,,,,,
O=C(NCC(=O)N(c1ccccc1)C(C(=O)NC1CCCC1)c1ccncc1)c1ccco1,CID3211609,,,,,,,,,,,0.0,0.0,,,,,
Cc1cccc(N(C(=O)CNC(=O)c2ccco2)C(C(=O)NC2CCCC2)c2ccncc2)c1,CID3211611,,,,,,,,,,,0.0,,,,,,
COc1ccccc1N(C(=O)CNC(=O)c1ccco1)C(C(=O)NC1CCCC1)c1ccncc1,CID3211599,,,,,,,,,0.0,,0.0,,,,,,
Cc1c(NC(=O)CSc2nc3ccccc3n2C)c(=O)n(-c2ccccc2)n1C,CID1258994,0.0,,,,,,,,,,0.0,,,,,,
Cc1c(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)c(=O)n(-c2ccccc2)n1C,CID2087864,,,,,,,,,,,,0.0,,,,,
Cc1ccc2nc(SCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)[nH]c2c1,CID2393143,0.0,,,,0.0,,0.0,,,,0.0,,,,,,0.0
Cc1c(NC(=O)CSc2nc3ccccc3[nH]2)c(=O)n(-c2ccccc2)n1C,CID1050422,0.0,,0.0,,,0.0,0.0,,0.0,,,,,,,,
Cn1c(NCc2cccs2)nc2ccccc21,CID977447,,,,,,,,,,,,,0.0,,,,0.0
CCn1c(NCc2cccs2)nc2ccccc21,CID749150,,,,0.0,,,,,,,,,,,,,
CCCn1c(NCc2cccs2)nc2ccccc21,CID870407,,,,,,,,,,,0.0,,,,,0.0,0.0
CC(C)n1c(NCc2cccs2)nc2ccccc21,CID972634,,,,,,,,,,,,,,,,0.0,0.0
CCc1ccc(Nc2nnc(SCn3nnc4ccccc4c3=O)s2)cc1,CID2581925,,,,,,,,,,,,0.0,,,,,
COc1cccc(Nc2nnc(SCn3nnc4ccccc4c3=O)s2)c1,CID2559652,,0.0,0.0,0.0,,0.0,0.0,,0.0,,,0.0,,,,0.0,
Cc1ccc(Nc2nnc(SCn3nnc4ccccc4c3=O)s2)cc1,CID2523101,,,,,,0.0,,,,,,,,,,,
O=c1c2ccccc2nnn1CSc1nnc(Nc2ccccc2)s1,CID2089374,0.0,,,0.0,0.0,0.0,0.0,,,,,0.0,0.0,,,0.0,0.0
Cc1cccc(N2C(=O)CS/C2=N\NC(=O)c2ccc(Br)cc2)c1C,CID1206721,,,,,,,,,,,0.0,,,,0.0,,
Cc1ccc(C(=O)N/N=C2\SCC(=O)N2c2cc(C)ccc2C)cc1,CID3141153,,,,,,,,,,,0.0,,,,,,
Cc1ccc(C)c(N2C(=O)CS/C2=N\NC(=O)c2ccccc2Cl)c1,CID1206720,,,,,,,,,,,0.0,,,,,,
Cc1cccc(N2C(=O)CS/C2=N\NC(=O)c2ccc(Cl)cc2)c1C,CID3182010,,,,,,,,,,,0.0,,,,,,
CC(Sc1ccc(Cl)cc1)C(=O)NCc1cccnc1,CID2898962,,,,,,,,,,,,,,,0.0,,
Cc1ccc(SC(C)C(=O)NCc2cccnc2)cc1,CID2947603,,,,,,0.0,,,,0.0,0.0,0.0,,,,,
Cc1ccc(SCC(=O)NCc2cccnc2)cc1,CID816108,,,,,,,,,,,,0.0,,,0.0,,
O=C(CSc1ccccc1)NCc1cccnc1,CID800469,,0.0,,,0.0,0.0,0.0,,,,,,,,,,0.0
COc1cccc(CNn2cnnc2)c1OCc1ccccc1F,CID667349,,,,,,,,,,,,0.0,0.0,,,,
COc1cccc(CNn2cnnc2)c1OCc1ccc(F)cc1,CID652616,,0.0,,,,,,0.0,,,,,,,,,
CCOc1cccc(CNn2cnnc2)c1OCc1ccccc1Cl,CID1087687,,,,,,,,,,0.0,,,,,0.0,,
CCOc1cccc(CNn2cnnc2)c1OCc1ccccc1,CID892189,,,,,,0.0,,,,,0.0,0.0,,,,,
O=C1CCc2cc(S(=O)(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc2N1,CID3242224,0.0,,,,0.0,,,,,,,,0.0,,,,0.0
O=C1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc2N1,CID3245003,0.0,0.0,,,0.0,,0.0,,,,0.0,,,,,,
Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)CC2)c1,CID3241799,,,,,0.0,0.0,,0.0,,,,,,0.0,,,0.0
Cc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)CC2C)c1,CID3238212,,,,0.0,,,,,,,,,,,,0.0,
Cc1ccc(S(=O)(=O)NC(C)(C)CSc2nncn2C)cc1,CID2198168,,,,,,,,,0.0,,,,,,,,
Cn1cnnc1SCCNS(=O)(=O)c1ccccc1,CID555113,,,,,,,,,,0.0,,,,,,,
Cc1ccc(S(=O)(=O)NC(C)(C)CSc2nncn2N)cc1,CID975455,0.0,0.0,,,,,,,0.0,,,0.0,,,,0.0,
CC(C)(CSc1nncn1N)NS(=O)(=O)c1ccc(Cl)cc1,CID1086088,0.0,,,,,,,,,,,,0.0,,,,
C=CCn1c(=O)c2ccccc2n2c(SCC(=O)c3ccccc3)nnc12,CID2409608,0.0,,,,,0.0,,,,,0.0,,,,,,0.0
CCCn1c(=O)c2ccccc2n2c(SCC(=O)c3ccc(F)cc3)nnc12,CID2493372,,,,,0.0,,,,,,,,,,,,
CCCn1c(=O)c2ccccc2n2c(SCC(=O)c3ccccc3)nnc12,CID2493568,0.0,,,,,,,,,,0.0,,,,,0.0,
CCCn1c(=O)c2ccccc2n2c(SCC(=O)c3ccc(CC)cc3)nnc12,CID2493089,,,,,,0.0,,,,,,,,0.0,,,
C=CC/N=C1\SCC(=O)N1S(=O)(=O)c1ccccc1,CID653159,,,0.0,,0.0,,,,0.0,,0.0,,0.0,,,0.0,
C=CC/N=C1\SC(C)(C)C(=O)N1S(=O)(=O)c1ccc(C)cc1,CID1581676,,,,,,,,,,,,,,,0.0,,
C=CC/N=C1\SCC(=O)N1S(=O)(=O)c1ccc(C)cc1,CID655314,,0.0,,,0.0,,0.0,,0.0,0.0,,,,0.0,,0.0,
C=CC/N=C1\SC(C)C(=O)N1S(=O)(=O)c1ccccc1,CID2998776,,,,,0.0,,0.0,,0.0,,0.0,,0.0,,,,
CS(=O)(=O)Nc1ccc(C(=O)NC2CCCC2)cc1,CID967705,,0.0,0.0,0.0,0.0,,0.0,,,,,,,,,,0.0
CC(=O)Nc1ccc(C(=O)NC2CCCC2)cc1,CID869406,,,,,,,0.0,,,0.0,,0.0,,,,,
CSc1ccc(Cl)c(C(=O)NC2CCCC2)c1,CID2451052,,,,,,,,,,,,,,0.0,,,
CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC2CCCC2)c1,CID1332751,0.0,0.0,0.0,0.0,0.0,0.0,,,,,,,0.0,,,,0.0
N#Cc1ccc(-c2ccc(F)cc2)nc1SCC(=O)Nc1sc2c(c1C#N)CCC2,CID1005162,,,,,,0.0,,,,,,0.0,,,,,
N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCC(=O)Nc1sc2c(c1C#N)CCC2,CID1005161,,,,,,,,,,,,0.0,,,,,
COc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3sc4c(c3C#N)CCC4)n2)cc1OC,CID1773629,,,,,,,,,,,0.0,,,,,,
COc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3sc4c(c3C#N)CCC4)n2)cc1,CID1773611,,,,,,0.0,,,0.0,,0.0,,,,0.0,,
O=C(Nc1ccc(Br)cc1Cl)Nn1cnnc1,CID978221,,,,,,,,,0.0,,,,,,,,0.0
COc1ccc(Cl)cc1NC(=O)Nn1cnnc1,CID971074,,,,,,,,,,,,,,,0.0,,
COc1ccc(C)cc1NC(=O)Nn1cnnc1,CID971791,,,,,,,,,0.0,,,0.0,,,,,
COc1ccccc1NC(=O)Nn1cnnc1,CID2103176,,0.0,0.0,,,,0.0,,0.0,,,,0.0,0.0,,,
O=c1c2ccccc2ncn1Cc1ccco1,CID332456,,,,,,,0.0,0.0,,,,,,,,,
COCCNC(=O)CSc1nc2cc(OC)c(OC)cc2c(=O)n1Cc1ccco1,CID3243245,,,,,,,0.0,0.0,0.0,,,,,,,0.0,
NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1,CID864526,,,,,,,,,0.0,,,,,,,,
CCOC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1,CID1071955,,,,0.0,,,,,0.0,0.0,,,0.0,0.0,,,
Cc1ccc(/C=N/n2cnc3sc4c(c3c2=O)CCCC4)o1,CID719101,,,,,,,,0.0,,,,,0.0,0.0,0.0,0.0,0.0
Cc1nc2sc3c(c2c(=O)n1/N=C/c1ccco1)CCCC3,CID832427,,0.0,0.0,,,,0.0,,,,,0.0,,,0.0,0.0,0.0
O=c1c2c3c(sc2ncn1/N=C/c1ccco1)CCCC3,CID700946,,,0.0,,,,,0.0,,,,0.0,0.0,,,0.0,0.0
O=c1c2c3c(sc2ncn1/N=C/c1ccc(Br)o1)CCCC3,CID1356610,0.0,,,,,,,,,,0.0,,,,,,0.0
CCCNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2,CID5308145,,,,,,,,0.0,,,,,,,0.0,0.0,
CC(C)(C)NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2,CID3241044,,,0.0,,0.0,0.0,,,0.0,,0.0,,,,,,
CCOC(=O)CNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2,CID3241748,,,,,0.0,,,0.0,0.0,,,,,,,,
CCCCN(C)C(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2,CID5308488,,,,,,0.0,,,,,,,,,,,
Cc1ccc(NC(=O)c2noc3c2CCc2ccccc2-3)cc1,CID6619226,,,,,,,,,,,,0.0,,,,,
O=C(Nc1cccc(O)c1)c1noc2c1CCc1ccccc1-2,CID9550298,,,,,,,,,,,0.0,,,,,,
CCc1ccc(NC(=O)c2noc3c2CCc2ccccc2-3)cc1,CID9550419,,,,,,,,,,,0.0,,,,,,
COc1ccc2c(c1)CCc1c(C(=O)Nc3ccc(OC)c(OC)c3)noc1-2,CID3241613,,,,,,,,,0.0,0.0,0.0,,,,,0.0,
Clc1ccc(-c2csc3ncnc(NCCN4CCOCC4)c23)cc1,CID1078331,,,,,,0.0,,,,,,0.0,,,,,
Cc1ccc(-c2csc3ncnc(NCCN4CCOCC4)c23)cc1,CID1147018,,,,,,0.0,,,,,0.0,,,,,,
c1ccc(-c2csc3ncnc(NCCN4CCOCC4)c23)cc1,CID703074,0.0,,0.0,0.0,,,,0.0,,,,,,,,,
COc1ccc(-c2csc3ncnc(NCCN4CCOCC4)c23)cc1,CID1276750,0.0,,,,0.0,,,,,,0.0,,,,,,0.0
Cn1c(CNc2ccc(Cl)cc2)nnc1SCCN1CCCCC1,CID1156390,,,,,,,,,,,0.0,0.0,,,,,
CCn1c(CNc2ccc(F)cc2)nnc1SCCN1CCCCC1,CID645854,0.0,,,,,0.0,0.0,,,,,,,,,0.0,
CCn1c(CNc2ccccc2Cl)nnc1SCCN1CCCCC1,CID644892,,,,0.0,0.0,,,,,,0.0,0.0,,,,,
CCn1c(CNc2ccc(Cl)cc2)nnc1SCCN1CCCCC1,CID1082177,,,,,,,,,0.0,,,,,,,,
Cc1cccc(NC(=O)N(C)Cc2cccs2)c1,CID2476752,,,,,,,,,,,,,,,0.0,,
CC(=O)c1cccc(NC(=O)NCc2cccs2)c1,CID971274,,,,,0.0,,0.0,0.0,,,,,,,,,
O=C(NCc1cccs1)Nc1ccc(Cl)cc1,CID858202,,,,,,,,,,0.0,,,,,,,
CCOC(=O)CN(Cc1sccc1C)C(=O)Nc1cccc(OC)c1,CID4187953,,,,,,,,,,,,,,,0.0,,
CCCCn1nc(NC(=O)c2cccs2)c2cc3ccccc3nc21,CID662537,,0.0,0.0,,,,,,,,0.0,,,,,,
COc1ccc2nc3c(cc2c1)c(NC(=O)c1cccs1)nn3CC(C)C,CID665435,0.0,,0.0,,,,0.0,0.0,,,0.0,,,,,0.0,
CCCCn1nc(NC(=O)c2cccs2)c2cc3cc(OC)ccc3nc21,CID665522,0.0,,,,,,0.0,0.0,,,,,,,,0.0,0.0
CCCn1nc(NC(=O)c2cccs2)c2cc3cc(OC)ccc3nc21,CID665826,0.0,,0.0,,,,,,,,,,,,,0.0,
CCC1(CC)C(=O)N(C)C(=O)N=C1Nc1ccc(OC)cc1,CID831015,,,,,,,,,0.0,,,0.0,,,,,
CCCCC1(CC)C(=O)NC(=O)N=C1Nc1ccc(OC)cc1,CID3064844,0.0,,,,,,0.0,,0.0,,0.0,,0.0,,,0.0,
CCC1(CC)C(=O)NC(=O)N=C1Nc1cccc(OC)c1,CID657643,0.0,0.0,,0.0,,,,,,,,0.0,,,,0.0,
CCC1(CC)C(=O)N(C)C(=O)N=C1Nc1ccccc1,CID651135,,0.0,0.0,,,,,0.0,,,,,,0.0,,,
O=C(Cc1cccs1)Nc1nnc(Cc2ccccc2)s1,CID900582,,,,,,,,,,1.0,0.0,,,0.0,,,
O=C(Cc1cccs1)Nc1nnc(Cc2ccc(F)cc2)s1,CID2201365,,,,,,0.0,,,,0.0,0.0,0.0,,0.0,,,
COc1ccc(Cc2nnc(NC(=O)Cc3cccs3)s2)cc1OC,CID646403,0.0,,,0.0,,,,,,,,,,0.0,,,
COc1ccc(Cc2nnc(NC(=O)Cc3cccs3)s2)cc1,CID648470,0.0,,,0.0,,,,,,,0.0,,,,,,0.0
CCCS(=O)(=O)N1CCCC(C(=O)NCCCN(C)Cc2ccccc2)C1,CID3240860,,,,,,,,0.0,,0.0,,,0.0,,,,
CCCCN(CCCNC(=O)C1CCCN(S(=O)(=O)CC)C1)Cc1ccccc1,CID3244924,,,,,,0.0,,,,,,,0.0,,,,
CCS(=O)(=O)N1CCCC(C(=O)NCCCN(C)Cc2ccccc2)C1,CID3242325,,,0.0,,,,,0.0,,,,,,0.0,,,
CCCS(=O)(=O)N1CCCC(C(=O)NCCCN(Cc2ccccc2)C(C)C)C1,CID3236804,,0.0,,,,,,,,,,,0.0,,,0.0,
Cc1sc2ncnc(NCc3cccs3)c2c1C,CID2062923,,,,,,,,,,0.0,,,,,0.0,,
Cc1sc2ncnc(N(C)Cc3cccs3)c2c1C,CID2579357,,,,,,,,,,,0.0,,,,,,
CN(Cc1cccs1)c1ncnc2sccc12,CID2524807,0.0,0.0,0.0,,0.0,,,,,,,,,,,,
c1csc(CNc2ncnc3sccc23)c1,CID2525677,,,1.0,,0.0,,0.0,,,,0.0,,0.0,,,,
CCN(CC)CCCC(C)NC1=NCCCCC1,CID2999391,,,,,,0.0,,0.0,,,,0.0,,,,0.0,
CC(C)CCNC1=NCCCCC1,CID2104726,,,,,,0.0,,,,0.0,,,,,0.0,,
CCCCOCCCNC1=NCCCCC1,CID2104722,,,,0.0,,,0.0,0.0,,,,0.0,,,,,
O=C(O)CNC1=NCCCCC1,CID2998991,,,,,,,,0.0,,,,,,,,,
CC(C)(C)C(=O)c1cn(CC(=O)NCc2ccc3c(c2)OCO3)c2ccccc12,CID1095456,,,,,,,,,0.0,,0.0,,,,,,
CC(C)C(=O)c1cn(CC(=O)NCc2ccc3c(c2)OCO3)c2ccccc12,CID1091533,,,,,,,,,0.0,0.0,,0.0,,,,,
CC(=O)c1c(C)n(CC(=O)NCc2ccc3c(c2)OCO3)c2ccccc12,CID2231355,0.0,,,,,,,0.0,0.0,,0.0,,,,,,
CC(=O)c1cn(CC(=O)NCc2ccc3c(c2)OCO3)c2ccccc12,CID1088486,,0.0,,0.0,,,0.0,,0.0,,,,0.0,,0.0,0.0,0.0
COc1ccc(C(=O)c2nc3c(n2O)CCCCC3)cc1,CID755657,,,,,,,,,,,,0.0,,,,,
CCOc1ccc(C(=O)c2nc3c(n2O)CCCCC3)cc1,CID777950,,,,,,,,,,,,0.0,,0.0,,,
CCCOc1ccc(C(=O)c2nc3c(n2O)CCCCC3)cc1,CID2950434,,,,,,,,,0.0,0.0,0.0,0.0,,,,,
COc1ccc(OC)c(C(=O)c2nc3c(n2O)CCCCC3)c1,CID666948,,,0.0,0.0,,,,,,,,0.0,,,,0.0,
CC(C)c1cc(-c2n[nH]c(=S)n2Cc2ccccc2)cs1,CID843860,,,,,,0.0,,,,,,,,,,,
CCCc1cc(-c2n[nH]c(=S)n2Cc2ccccc2)cs1,CID843954,,,,,,,,,,,,,,0.0,,,
CCc1cc(-c2n[nH]c(=S)n2Cc2ccccc2)cs1,CID843931,,,,,,,,,,,,,,,0.0,,
Cc1scc(-c2n[nH]c(=S)n2Cc2ccccc2)c1C,CID843934,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C)c(NC(=S)NNC(=O)c2ccco2)c1,CID843862,,,,,,,,,,,,,,0.0,,,
Cc1cccc(NC(=S)NNC(=O)c2ccc(Br)o2)c1,CID1001235,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C)c(NC(=S)NNC(=O)c2ccc(Br)o2)c1,CID998878,,,,,,,,,,,,,,,0.0,,
O=C(NNC(=S)Nc1ccccc1)c1ccco1,CID736799,,,,,,0.0,,,,,,0.0,,,,,
O=C(NCc1ccccn1)C1CC(c2ccc(F)cc2)=NO1,CID9551155,,,,,,,,,0.0,,,,,,,,
O=C(NCc1ccccn1)C1CC(c2ccc(Cl)c(Cl)c2)=NO1,CID2962210,,,,,,,,,0.0,,,,,0.0,0.0,,
COc1cccc(C2=NOC(C(=O)NCc3ccccn3)C2)c1,CID3241025,0.0,,,,0.0,,,,,,,0.0,,,,,
COc1ccc(OC)c(C2=NOC(C(=O)NCc3ccccn3)C2)c1,CID3236235,,0.0,,,0.0,0.0,,0.0,0.0,0.0,,,,,,,
NS(=O)(=O)c1ccc(NC(=O)CCC2CCCCC2)cc1,CID868665,,,,,0.0,,,,,,,,,0.0,,,
Cc1ccc(O)c(NC(=O)CCC2CCCCC2)c1,CID888352,0.0,,,0.0,,,0.0,,,,,,0.0,,,0.0,0.0
COc1ccc(NC(=O)CCC2CCCCC2)cc1,CID745225,,,,,,0.0,,,,,,,,,,,
O=C(CCC1CCCCC1)Nc1ccccc1O,CID887542,,,0.0,0.0,,,0.0,,,,0.0,,,,,,
Cc1cccc(CCNC(=O)C2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)c1,CID9550287,,,,,,,,,,0.0,,,,,,,
Cc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)cc1,CID3236745,0.0,0.0,,0.0,0.0,,,,0.0,,0.0,,,,,0.0,0.0
COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)cc1OC,CID3242258,0.0,,,,0.0,,,0.0,,,,,,,0.0,0.0,0.0
O=C(NCCc1ccccc1)C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1,CID3237990,0.0,0.0,,,0.0,,,,0.0,,0.0,,,,,0.0,0.0
Cc1cc(=O)oc2cc(OCCSc3nnc(-c4ccccc4)o3)ccc12,CID1973636,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1-c1nnc(SCCOc2ccc3c(C)cc(=O)oc3c2)o1,CID1819935,,,,,,,,,,,,,,,0.0,,
Cc1cccc(-c2nnc(SCCOc3ccc4c(C)cc(=O)oc4c3)o2)c1,CID1819936,,,,,,,,,,,,,,0.0,,,
COc1cccc(-c2nnc(SCCOc3ccc4c(C)cc(=O)oc4c3)o2)c1,CID1819938,,,,,,,,,,,,,,0.0,,,
CC(=O)N1CCc2cc(S(=O)(=O)N3c4ccccc4CC3C)ccc21,CID9550289,,,,,,,,,,,,0.0,,,,,
COC(=O)CCC(=O)N1CCc2cc(S(=O)(=O)N3CCc4ccccc43)ccc21,CID3243580,,,0.0,,,,,,,,,,,,,,
CCC(=O)N1CCc2cc(S(=O)(=O)N3CCc4ccccc43)ccc21,CID3236892,,,,,,,,,0.0,,,,,,,,0.0
O=C(O)CCCC(=O)N1CCc2cc(S(=O)(=O)N3CCc4ccccc43)ccc21,CID5308586,,,0.0,,,,0.0,,,,,,,,,,
COc1ccc(-c2cn3c(C)c(C(=O)Nc4cc(NC(C)=O)ccc4OC)sc3n2)cc1,CID3244553,,,,0.0,0.0,,,0.0,,,,,0.0,,,,
COC(=O)c1ccc(NC(=O)c2sc3nc(-c4ccccc4)cn3c2C)cc1,CID3237369,,,0.0,,0.0,,,,,,,,,,,,0.0
Cc1c(C(=O)Nc2ccccc2)sc2nc(-c3ccccc3)cn12,CID3240540,0.0,,,,,,,0.0,,,0.0,,0.0,,,,0.0
COc1ccc(-c2cn3c(C)c(C(=O)Nc4cccc(NC(C)=O)c4)sc3n2)cc1,CID3244864,,,,,0.0,0.0,,0.0,,,,,,,,0.0,
Cc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCc2ccco2)Cc2cccs2)cc1,CID3206934,,,,,,0.0,,,,,0.0,,,,,,
O=C(CN(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccc(F)cc1)NCc1ccco1,CID653082,,,,,0.0,,,,,,,,,0.0,,,
O=C(CN(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccccc1)NCc1ccco1,CID651765,,,0.0,,0.0,,,,,0.0,0.0,,,,,0.0,
O=C(CN(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)NCc1ccco1,CID3207127,,,,,,,,,0.0,,,,,,,,
COc1cccc(NC(=O)N2CCN(C(=O)C(Cc3ccc(OC)c(OC)c3)NC(C)=O)CC2)c1,CID651492,,,,,,,,,,,,0.0,,,,,
COc1ccc(CC(NC(C)=O)C(=O)N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1OC,CID651997,,,,,,,0.0,,,,,,,,,,
CC(=O)NC(Cc1cc(C)ccc1C)C(=O)N1CCN(C(=O)Nc2ccc(C(C)=O)cc2)CC1,CID646422,,0.0,,,,,0.0,0.0,,,0.0,0.0,,,0.0,,0.0
COc1ccccc1CC(NC(C)=O)C(=O)N1CCN(C(=O)Nc2ccccc2Cl)CC1,CID646064,,,,,,,0.0,,,,,,0.0,,,,0.0
COc1ccc(CN(CCCN2CCOCC2)C(=O)Nc2cccc(Cl)c2)cc1OC,CID664234,0.0,,,,,,,,,,,,,,,,0.0
COc1ccc(CN(CCCN2CCOCC2)C(=O)Nc2ccccc2)cc1OC,CID663600,0.0,,0.0,0.0,,,0.0,0.0,,,,,,0.0,0.0,,0.0
COc1ccc(OC)c(CN(CCCN2CCOCC2)C(=O)Nc2ccccc2)c1,CID1002243,,,,,,,,,,,,0.0,,,,,
O=C(Nc1cccc(Cl)c1)N(CCCN1CCOCC1)Cc1ccccc1F,CID664634,0.0,,,,,,,,,,,,,,,,0.0
COc1ccc(S(=O)(=O)N/N=C/c2ccc(OC)c(COc3ccc(C)cc3[N+](=O)[O-])c2)cc1,CID1020960,,,,,,,,,0.0,0.0,,,,,,,
COc1ccc(/C=N/NS(=O)(=O)c2ccc(F)cc2)cc1COc1cc(F)ccc1[N+](=O)[O-],CID1004936,,,,,,,,,,,,,,,0.0,,
COc1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)cc1COc1ccccc1[N+](=O)[O-],CID1004928,,,,,,,,,0.0,,,,,,,,
COc1ccc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc1COc1ccccc1[N+](=O)[O-],CID1008848,,,,,,,,,0.0,0.0,0.0,,,,0.0,,
Cc1cccc2[nH]c3c(=O)n(CCN4CCNCC4)cnc3c12,CID665149,,0.0,,,,,,0.0,,,,,,,,,
Cc1ccc2c(c1)[nH]c1c(=O)n(CCN3CCNCC3)cnc12,CID664924,,0.0,,0.0,,,0.0,0.0,,0.0,,,,,0.0,0.0,
O=c1c2[nH]c3ccccc3c2ncn1CCN1CCNCC1,CID658721,,0.0,,0.0,,,0.0,,,0.0,0.0,,0.0,,,0.0,
Cc1ccc2[nH]c3c(=O)n(CCN4CCNCC4)cnc3c2c1,CID658564,,0.0,0.0,,,,0.0,0.0,,,,,0.0,,,0.0,
CN1C(=S)SC(C)(NO)C1(C)C,CID658660,,,,,,,0.0,,,,,,,,,,
CNC(=O)ON(C(=O)NC)C1N(C)C(=S)SC1(C)C,CID666870,,0.0,,,,,,,,,,,,,,,
CN1C(=S)SC(C)(C)C1NO,CID665177,,,0.0,,,,,,,,,,0.0,,,,
CN1C(=S)SC(C)(C)C1(C)NO,CID658753,,,,,,,,,,,0.0,,,,,,
CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1C(C)NC(=O)Cc1ccc(OC)cc1,CID2968723,,,,,,,,,,,0.0,,,,,,
COc1ccc(CC(=O)NC(C)c2nnc(SCC(=O)c3ccc(Br)cc3)n2C)cc1,CID2964993,,,,,,,,,0.0,,,,,,,,
CCn1c(CNC(=O)Cc2ccc(OC)cc2)nnc1SCC(=O)c1ccc(Br)cc1,CID2207000,,,,,,,,,0.0,,0.0,,,,,,
COc1ccc(CC(=O)NC(C)c2nnc(SCC(=O)c3ccc(OC)cc3)n2C)cc1,CID2977034,,,,,,,,,,,,,,,0.0,,
COC(=O)c1sccc1NC(=O)COc1ccccc1Cl,CID831664,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccc(OCC(=O)Nc2ccsc2C(=O)OC)cc1,CID972269,,,,,,,,,,,,,,0.0,,,
COC(=O)c1sccc1NC(=O)COc1ccc(Cl)cc1Cl,CID1211555,,,,,,,,,,,,,,,0.0,,
CCC(Oc1ccccc1)C(=O)Nc1ccsc1C(=O)OC,CID2931366,,,,,,,,,,,,,,0.0,,,
CCOc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCC3(CC2)OCCO3)ccc1F,CID3243328,,,,,,,,0.0,,,,,,,,,
Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCC4(CC3)OCCO4)ccc2F)cc1,CID3244017,,,0.0,,,,,0.0,,,,,,,,,
O=C(Nc1ccccc1C(F)(F)F)c1cc(S(=O)(=O)N2CCC3(CC2)OCCO3)ccc1F,CID3242635,,,,,0.0,,,,,,,,,,,,
CCOc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCC3(CC2)OCCO3)c1,CID3244456,,,,0.0,,,,,,,,,,,,,
Cc1ccc(C)c(N2CCN(C(=O)CN3C(=O)c4ccccc4C3=O)CC2)c1,CID3242090,0.0,,,,0.0,,,,0.0,0.0,,,,,,,
Cc1ccc(N2CCN(C(=O)CN3C(=O)c4ccccc4C3=O)CC2)cc1,CID1135149,,,,,,,,,,,0.0,,,,,,
O=C(CN1C(=O)c2ccccc2C1=O)N1CCN(c2ccccc2)CC1,CID794982,,,,,,,0.0,,0.0,,,,,,,,
Cc1ccccc1N1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)CC1,CID1124478,,,,,,,,,0.0,,0.0,,,,,,
O=C(O)CC(C(=O)O)n1nc(-c2ccccc2)cc1-c1ccccc1,CID2828709,,0.0,0.0,,,,,,,0.0,,,,,,,
O=[N+]([O-])c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1,CID1209058,,,,,,0.0,,,,,,,,,,,
COc1ccc(-c2cc(-c3ccc(OC)cc3)[nH]n2)cc1,CID658538,,,,,,,,0.0,0.0,,,,,,,,
Nc1c(-c2ccccc2)n[nH]c1-c1ccccc1,CID726119,,,,,,,0.0,0.0,,,,0.0,,,,,
Cc1cc2ccccc2c(=O)n1CC(=O)NCC(=O)N1CCN(c2cccc(Cl)c2)CC1,CID3237250,,,0.0,0.0,,,,,,,,,0.0,,,,0.0
COc1ccc(N2CCN(C(=O)CNC(=O)Cn3c(C)cc4ccccc4c3=O)CC2)cc1,CID3236169,,,,,,0.0,,,0.0,,,0.0,0.0,,,,
Cc1cc2ccccc2c(=O)n1CC(=O)NCC(=O)N1CCN(c2ccccc2F)CC1,CID3240347,,,,,,,,,,,0.0,,0.0,,,,
Cc1cc2ccccc2c(=O)n1CC(=O)NCC(=O)N1CCN(c2ccccc2)CC1,CID3244436,0.0,0.0,,0.0,,,,,,,,,,,,,
CCC1Oc2ccc(C)cc2N(CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1=O,CID4992828,,0.0,,,,,0.0,,,,,,,,,,
CC(C)(C)NC(=O)c1ccc2c(c1)N(CC(=O)N1CCN(c3ccc(F)cc3)CC1)C(=O)C(C)(C)O2,CID651527,0.0,,,,,,,,,,,,0.0,,0.0,,
CC(C)(C)NC(=O)c1ccc2c(c1)N(CC(=O)N1CCN(c3ccccc3F)CC1)C(=O)C(C)(C)O2,CID651203,0.0,,0.0,,,,,,,,,,0.0,,,,
O=C(CN1C(=O)COc2ccccc21)N1CCN(c2ccccc2F)CC1,CID3242383,,0.0,,,,,,0.0,,,,,,,,,
CCc1nnc(NC(=O)CN2C(=O)c3ccccc3C2=O)s1,CID659438,,0.0,,0.0,,0.0,,0.0,,0.0,,,0.0,,,0.0,0.0
CC(C)c1nnc(NC(=O)CN2C(=O)c3ccccc3C2=O)s1,CID715668,,0.0,,0.0,,,0.0,0.0,,,,,0.0,,,0.0,
CCCc1nnc(NC(=O)CN2C(=O)c3ccccc3C2=O)s1,CID807518,,,,,,,,,0.0,0.0,,,,,,,
CCOCCc1nnc(NC(=O)CN2C(=O)c3ccccc3C2=O)s1,CID2227973,,0.0,,,,,,,,,,,,,,0.0,
Brc1cccc(C2CC(c3ccccc3)N3NN=NC3=N2)c1,CID5771303,,,,,,,,,,,,,,,,,0.0
COc1ccc(C2CC(c3cccc(OC)c3OC)N3NN=NC3=N2)cc1,CID5740935,,,,,,,,,,,,,0.0,,,,
COc1ccc(C2CC(c3cc(OC)ccc3OC)N3NN=NC3=N2)cc1,CID5771502,,,,,,,0.0,,,,,,,,,,
COc1cccc(C2CC(c3ccccc3Cl)N3NN=NC3=N2)c1,CID5771286,,0.0,,,,,,,,,,,,,,,
CN(C)c1nc(N(C)C)nc(N2CCCCC2)n1,CID969866,,,,,,,,,,0.0,,0.0,,,,,
CNc1nc(OCC#N)nc(N2CCCCC2)n1,CID2217945,,,,,,,,,,,,,,,0.0,,
CCOc1nc(OCC)nc(N2CCC(C)CC2)n1,CID646455,,0.0,0.0,0.0,,,,0.0,,,,0.0,0.0,,,,
CCOc1nc(C#N)nc(N2CCCCC2)n1,CID729558,,0.0,,,,,,0.0,,,,,,,,,
Cn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1cccnc1,CID892525,,,,,,,,,,,,,,0.0,,,
COc1ccc(OC)c(C(=O)CSc2nnc(-c3cccnc3)n2C)c1,CID2218918,,,,,,,0.0,,,,,,0.0,0.0,,0.0,0.0
Cc1ccc(C(=O)CSc2nnc(-c3cccnc3)n2N)cc1,CID751895,,0.0,,0.0,0.0,,,,,0.0,0.0,,0.0,,,,
Cn1c(SCC(=O)c2ccccc2)nnc1-c1cccnc1,CID829781,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC(=O)Cn2c(C)cc(=O)c3cccc(OC)c32)cc1,CID662110,,,,0.0,,,,,0.0,,,,,,,,
COc1cccc2c(=O)cc(C)n(CC(=O)Nc3ccccc3C)c12,CID892663,,,,,,,,,0.0,,,0.0,,,,,
COc1ccccc1NC(=O)Cn1c(C)cc(=O)c2cc(Br)ccc21,CID660331,0.0,,,,,,0.0,,0.0,,,0.0,,,0.0,,0.0
COc1cccc2c(=O)cc(C)n(CC(=O)Nc3ccc(C)c(C)c3)c12,CID660293,,,0.0,,0.0,,,0.0,0.0,,0.0,,,,,,
COCCn1c(C)cc(C(=O)CSc2nc(=O)c3ccccc3[nH]2)c1C,CID2084419,,0.0,,,,,,,0.0,,,,,,,0.0,
C=CCn1c(C)cc(C(=O)CSc2nc(=O)c3ccccc3[nH]2)c1C,CID2086519,0.0,,,,0.0,,,0.0,,,0.0,0.0,0.0,,,0.0,
COCC(C)n1c(C)cc(C(=O)CSc2nc(=O)c3ccccc3[nH]2)c1C,CID2997565,,,,0.0,,,0.0,,0.0,,,,0.0,,,,0.0
Cc1cc(C(=O)CSc2nc(=O)c3ccccc3[nH]2)c(C)n1C,CID2081442,0.0,0.0,,0.0,0.0,,,0.0,0.0,0.0,,,0.0,,0.0,0.0,
O=C(CN1C(=O)CCC1=O)Nc1ccc(Br)cc1,CID2083990,0.0,,,,,,,,0.0,,,,,,,0.0,0.0
COC(=O)c1ccc(NC(=O)CN2C(=O)CCC2=O)cc1,CID2083989,,,,,,,,,,,0.0,,,,,,
CCOC(=O)c1ccc(NC(=O)CN2C(=O)CCC2=O)cc1,CID1345472,,,,,,,,,,,0.0,,,,0.0,,
Cc1cc(Br)ccc1NC(=O)CN1C(=O)CCC1=O,CID2523069,,,,,,,,,,,,,,,0.0,,
CCOC(=O)CSc1nc(-c2ccccc2)nc2c1oc1ccccc12,CID4103746,,,,,,0.0,,,,,,,,,,,
CC(Nc1nc(-c2ccccc2)nc2c1oc1ccccc12)C(=O)O,CID664031,,,0.0,,0.0,,,,0.0,,0.0,,0.0,,,,
CN(C)CCOc1nc(-c2ccccc2)nc2c1oc1ccccc12,CID661489,0.0,,0.0,,0.0,0.0,0.0,,,,0.0,0.0,,,,0.0,
O=C(O)CSc1nc(-c2ccccc2)nc2c1oc1ccccc12,CID646771,,,,,,,,0.0,,,,0.0,0.0,0.0,,,
CCCS(=O)(=O)N1CCCC(c2nc(-c3cccc(OC)c3)no2)C1,CID649557,,,,,,,,,,,,,0.0,,,,0.0
CC(C)c1ccc(-c2noc(C3CCCN(S(C)(=O)=O)C3)n2)cc1,CID3225960,,,,,,,,,,,0.0,,,,,,
CCCCCC(=O)N1CCCC(c2nc(-c3ccc(OC)cc3)no2)C1,CID3226033,,,,,,,,,0.0,,,,,,,,
CCS(=O)(=O)N1CCCC(c2nc(-c3cccc(OC)c3)no2)C1,CID653670,,,,0.0,,,,,,,,,,,,,
CN(Cc1nc2ccccc2n1C)S(=O)(=O)c1ccc(F)cc1,CID935019,,0.0,0.0,,,,0.0,,,,,,,,,0.0,
Cc1ccc(S(=O)(=O)NCc2nc3ccccc3[nH]2)cc1,CID709075,,,,0.0,0.0,,0.0,,,0.0,,0.0,,,,0.0,
CN(Cc1nc2ccccc2n1C)S(=O)(=O)c1ccc(Cl)cc1,CID934490,0.0,,,0.0,0.0,,,,,,,,0.0,,,,0.0
CCCn1c(CNS(=O)(=O)c2ccc(C)cc2)nc2ccccc21,CID714160,0.0,,0.0,,0.0,,,,,,,,,,,0.0,0.0
COc1ccc(C(=O)Nn2c(C3CCC3)nc3ccccc3c2=O)c(OC)c1,CID651248,0.0,,,,0.0,,,,0.0,0.0,,0.0,0.0,,,,
CCOc1ccccc1C(=O)Nn1c(C2CCC2)nc2ccccc2c1=O,CID650215,0.0,0.0,,,0.0,,,0.0,0.0,0.0,0.0,0.0,,,,,
COc1cccc(OC)c1C(=O)Nn1c(C2CCC2)nc2ccccc2c1=O,CID655280,0.0,0.0,0.0,0.0,0.0,0.0,,,0.0,0.0,,0.0,,,,,
COc1ccccc1C(=O)Nn1c(C2CCC2)nc2ccccc2c1=O,CID648030,0.0,,,,,,0.0,,,,,,,,,,
CC(C)c1ccccc1NC(=O)COC(=O)Cc1ccsc1,CID2336996,,,,,,,,,,,,,,,0.0,,
Cc1ccccc1NC(=O)COC(=O)Cc1ccsc1,CID2338215,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC(=O)COC(=O)Cc2ccsc2)c(C)c1,CID2129084,,,,,,,,,,,,,,0.0,,,
Cc1cccc(C)c1NC(=O)COC(=O)Cc1ccsc1,CID2091944,,,,,,,,,,,,,,0.0,,,
CCCC(c1nnnn1Cc1ccc(OC)cc1)N1CCN(c2ccccc2OC)CC1,CID646026,,,,,,,,,,0.0,,,,,0.0,,0.0
COc1ccc(Cn2nnnc2C(CC(C)C)N2CCN(c3ccccc3)CC2)cc1,CID654297,,,0.0,,,,,,,,,,0.0,,,,0.0
COc1ccc(Cn2nnnc2C(C(C)C)N2CCN(c3ccccc3OC)CC2)cc1,CID653912,,,0.0,,,,,,,0.0,0.0,,,,,,0.0
CCCC(c1nnnn1Cc1ccc(OC)cc1)N1CCN(c2ccccc2)CC1,CID651378,,,,,,,,,,0.0,,,,,0.0,,0.0
Cc1ccc(S(=O)(=O)N(CC(=O)NCCC2=CCCCC2)Cc2ccccc2)cc1,CID2300597,,,,,,0.0,,,,,,,,,,,
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCCC1=CCCCC1,CID2301453,,,,,,0.0,,,,,,,,,,,
Cc1ccc(S(=O)(=O)N(CC(=O)NCCC2=CCCCC2)Cc2ccccc2F)cc1,CID1815035,,,,,,0.0,,,,,,,,,,,
O=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)NCCC1=CCCCC1,CID2300422,,,,,,,,,,,,0.0,,,,,
O=C(CCC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)NC1CCCCC1,CID2300592,,,,,,,,,,,,,,,0.0,,
O=C(CCC(=O)OCC(=O)c1ccc(Br)cc1)NC1CCCCC1,CID2585261,,,,,,,,,,,,,,,0.0,,
O=C(CCC(=O)OCC(=O)c1ccccc1)NC1CCCCC1,CID2301265,,,0.0,,,,0.0,,0.0,,0.0,0.0,,,,0.0,0.0
Cc1ccc(C(=O)COC(=O)CCC(=O)NC2CCCCC2)cc1C,CID2300324,,,,,,,,,0.0,,,,,,,,
Cc1ccc(NC(=O)C2CCCN2C(=O)NC2CCCCC2)cc1,CID3221253,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1NC(=O)C1CCCN1C(=O)NC1CCCCC1,CID644411,0.0,,,,,,,,,,,0.0,,,,,0.0
Cc1cccc(NC(=O)C2CCCN2C(=O)NC2CCCCC2)c1,CID3221254,,,,,,,,,,,,,,0.0,,,
COc1ccc(NC(=O)C2CCCN2C(=O)NC2CCCCC2)cc1OC,CID655548,,0.0,,,,,0.0,0.0,0.0,,0.0,0.0,0.0,,,,0.0
CN1CCN(c2ncnc3c2[nH]c2ccc(F)cc23)CC1,CID659867,,0.0,,,,,,0.0,,,,,,,,,
CCN1CCN(c2ncnc3c2[nH]c2ccc(F)cc23)CC1,CID659470,,0.0,,,,,,0.0,,,,0.0,,,,,
CCOC(=O)N1CCN(c2ncnc3c2[nH]c2ccc(OC)cc23)CC1,CID658919,,,,0.0,,,,,,,,,0.0,,,,
CCOC(=O)N1CCN(c2ncnc3c2[nH]c2ccc(F)cc23)CC1,CID919665,,,,,,0.0,,,,,,0.0,,,,,
CCOC(=O)C(=Cc1ccc(-c2ccsc2C(=O)OC)o1)C(=O)OCC,CID2764741,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=S)NC(=O)N(C)C,CID1251205,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1c(-c2ccco2)csc1N,CID736628,,,0.0,0.0,,,0.0,0.0,,,,,,,,,
CCOC(=O)c1c(-c2ccc(C)o2)csc1N,CID706051,,,,,0.0,,,,0.0,,0.0,,0.0,,,,
COC(C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1,CID2896826,,,,,,,,,,0.0,0.0,,,,,,
O=C(Cc1ccc(F)cc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1,CID1086926,,,,,,,,,,,,,,,0.0,,
COc1cc(S(=O)(=O)N2CCCCC2)ccc1NC(=O)Cc1ccccc1,CID1311120,,,,,,,,,,,0.0,,,,,,
CC1CCN(S(=O)(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)CC1,CID1071416,,,,,,,,,,,0.0,,,,,,
CCS(=O)(=O)N1CCC(NC(=O)C2CCCCC2)CC1,CID645503,,,,,,0.0,0.0,0.0,,,0.0,,,,,,0.0
CC1(C)CC(NC(=O)C2CCCCC2C(=O)O)CC(C)(C)N1,CID649490,,,,0.0,,,,0.0,,,,,0.0,,,,
CCCNC(=S)N1CCC(NC(=O)C2CCCCC2)CC1,CID3218764,,,,,,,,,,,0.0,,,,,,
CCNC(=S)N1CCC(NC(=O)C2CCCCC2)CC1,CID3218522,,,,,,,,,,,0.0,,,,,,
CSc1nnc2c(n1)OC=Nc1ccccc1-2,CID3246756,,0.0,,,,,,,,0.0,0.0,,,0.0,,,
CCSc1nnc2c(n1)OC=Nc1ccc(Br)cc1-2,CID3244345,,,,,,,0.0,,,,,,,,,0.0,
CSc1nnc2c(n1)OC(C)=Nc1ccccc1-2,CID2960876,,,0.0,0.0,,,,,,0.0,,,,,,,
CCC1=Nc2ccccc2-c2nnc(SC)nc2O1,CID2966359,,,,0.0,,,,,,,0.0,,,,,,
O=C(Nc1cc2c(oc1=O)CCCC2=O)c1ccc(Cl)cc1,CID1473615,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)Nc2cc3c(oc2=O)CCCC3=O)cc1,CID1473625,,,,,,,,,,,,,,,0.0,,
O=C(Nc1cc2c(oc1=O)CCCC2=O)c1cccc(Cl)c1,CID1483049,,,,,,0.0,,,,,,,,0.0,,,
CC1(C)CC(=O)c2cc(NC(=O)c3ccccc3)c(=O)oc2C1,CID2242400,,,,,,,,,,,,,,0.0,0.0,,
COc1cc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCOCC3)o2)cc(OC)c1OC,CID1154509,,,,,,,0.0,,0.0,,,,,,,,
COc1cc(-c2nc(S(=O)(=O)c3ccc(C)cc3)c(N3CCOCC3)o2)cc(OC)c1OC,CID651601,,,,,,,,,,,0.0,,,,,,
COc1cccc(-c2nc(S(=O)(=O)c3ccccc3)c(N3CCOCC3)o2)c1,CID1315334,,,,,,,,,,0.0,,,0.0,,,0.0,
COc1cc(-c2nc(S(=O)(=O)c3ccccc3)c(N3CCOCC3)o2)cc(OC)c1OC,CID2187254,,,,,,,,,,0.0,0.0,,,,,,
CC(=C/c1ccco1)/C=N/N1CCN(c2ccccc2)CC1,CID668444,,,,,,0.0,,,,,,,,,0.0,,
CC(/C=N/N1CCN(c2ccccc2)CC1)=C\c1ccco1,CID1866093,,,,,,,,,,,,,,,0.0,,
C(=C/c1ccco1)\C=N\N1CCN(c2ccccc2)CC1,CID2143340,,,,,,,,,,,,,,,0.0,,
COc1ccccc1N1CCN(/N=C/C=C\c2ccco2)CC1,CID1584445,,,,,,,,,,,,0.0,,,,,
COc1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccco1,CID1752640,,,,,,,,,,,,,,0.0,,,
CCCc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccco2)cc1,CID1752641,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccco1,CID1788577,,,,,,,,,,,,,,0.0,,,
CC(Oc1ccc(Cl)cc1)C(=O)NNC(=S)NC(=O)c1ccco1,CID5021903,,,,,,,,,,,,,,0.0,,,
CC1CN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2CCCc2ccccc2)CC(C)O1,CID3241948,,,,0.0,,,,0.0,,,,,,,,,
Cn1c(=O)[nH]c(=O)c2c1nc(CN1CCOCC1)n2CCCc1ccccc1,CID4911362,,,,,,,,0.0,,,,,0.0,,,,
Cn1c(=O)c2c(nc(CN3CCOCC3)n2CCCc2ccccc2)n(C)c1=O,CID655909,,0.0,,,,,,,,,,0.0,,,,,
CC1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCCc2ccccc2)CC(C)O1,CID665889,0.0,,,,,,0.0,0.0,,,,0.0,,,,,
CCCCn1c(/N=C/c2ccc3c(c2)OCO3)nc2ccccc21,CID2249485,,,,,,0.0,,,,,,,,,0.0,,
CCCn1c(/N=C/c2ccc3c(c2)OCO3)nc2ccccc21,CID871355,,,,,,,,,,,,0.0,,,,,
Cn1c(/N=C/c2ccc3c(c2)OCO3)nc2ccccc21,CID737591,0.0,,,,,,,0.0,,,,,,,,0.0,
C=CCn1c(/N=C/c2ccc3c(c2)OCO3)nc2ccccc21,CID771743,,,,,,,,,,,,0.0,,,,,
CCCc1nc(SCC(=O)N2CCCc3ccccc32)c2c(=O)n(C)c(=O)n(C)c2n1,CID5310261,,0.0,,0.0,,,,,,,,,,,,,
Cn1c(=O)c2c(SCC(=O)N3CCCc4ccccc43)nc(CC(C)(C)C)nc2n(C)c1=O,CID5310050,,,,0.0,,,,0.0,0.0,,,,0.0,,,,
CC(C)c1nc(SCC(=O)N2CCCc3ccccc32)c2c(=O)n(C)c(=O)n(C)c2n1,CID9551602,,,,,,,,,,0.0,,,,,,,
CCc1nc(SCC(=O)N2CCCc3ccccc32)c2c(=O)n(C)c(=O)n(C)c2n1,CID5310153,0.0,,,,,,,0.0,,,,,,,,,
O=C(CN(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccccc1)NCc1ccccc1,CID646500,,,,,0.0,,0.0,0.0,0.0,,,,,0.0,,,
O=C(CN(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)NCc1ccc(F)cc1,CID648457,0.0,,0.0,0.0,0.0,,,,,,,0.0,,,,,
O=C(CN(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccccc1)NCc1ccc(F)cc1,CID650385,,,,,0.0,,,0.0,,0.0,,,,,,,
O=C(CN(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(F)cc1)NCc1ccc(F)cc1,CID649268,0.0,,,,0.0,,,,,0.0,,,,,,,0.0
Cc1ccc(C(=O)CSc2nnc(CNc3nc(-c4ccccc4)cs3)n2C)cc1,CID652091,,,0.0,,0.0,,,,,0.0,0.0,0.0,0.0,,,,
Cn1c(CNc2nc(-c3ccccc3)cs2)nnc1SCC(=O)c1ccccc1,CID647059,0.0,0.0,0.0,,0.0,,,,,,0.0,,,,0.0,,0.0
COc1ccc(C(=O)CSc2nnc(CNc3nc(-c4ccccc4)cs3)n2C)cc1,CID650211,,0.0,,0.0,,,,,,0.0,,0.0,,,,0.0,
COc1cccc(C(=O)CSc2nnc(CNc3nc(-c4ccccc4)cs3)n2C)c1,CID652968,,0.0,,,,,,,,0.0,0.0,,,,,,0.0
O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c(Cl)c1,CID2867473,,,,,,0.0,,,,,,,,,,,
COc1ccc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1,CID895241,,,,,,,,,,0.0,,,,0.0,,,
O=S(=O)(Cc1ccccc1)N1CCN(c2ccccc2)CC1,CID871639,,,,,,,,,,,0.0,0.0,,,,,
COc1ccccc1N1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1,CID1301689,,0.0,0.0,,0.0,,,,0.0,0.0,,,,,0.0,,0.0
Cc1c(C(=O)N2CCCC2)sc(NC(=O)c2ccccc2)c1C#N,CID829077,,,,,,,,,,,0.0,,,0.0,,,
Cc1c(C(=O)N2CCCC2)sc(NC(=O)c2cccc(Cl)c2)c1C#N,CID1131081,,,,,,,,,0.0,,,,,,,,
Cc1cccc(C(=O)Nc2sc(C(=O)N3CCCC3)c(C)c2C#N)c1,CID1130887,,,,,,,,,,,,,,0.0,,,
Cc1c(C(=O)N2CCCC2)sc(NC(=O)c2ccc(Cl)cc2)c1C#N,CID1130976,,,,,,,,,,,,0.0,,,,,
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)C2c2ccc(C(C)(C)C)cc2)s1,CID2910886,,,,,,,,,,,0.0,,,,,,
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)C2c2ccc(F)cc2)s1,CID2913184,,,,0.0,,,,,,,,0.0,,0.0,,,
Cc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nnc(C)s2)cc1,CID3146573,,,,,,,,,,,0.0,,,,,,
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)C2c2ccc(C(C)C)cc2)s1,CID2910730,,,,,,,,,,0.0,,,,,,,
O=C(Nc1cccnc1)c1cccnc1Cl,CID1223451,,,,,,,,,,0.0,,,,,,,
O=C(Nc1cccnc1)c1cccnc1,CID202725,,0.0,,0.0,,,,,,,,,,0.0,,,
CCCCC(=O)Nc1ccc(NC(=O)c2cccnc2)cn1,CID651707,,,,,,,0.0,,,,0.0,,0.0,,0.0,,
CC(C)C(=O)Nc1ccc(NC(=O)c2cccnc2)cn1,CID1452858,,,,,,0.0,,,,,,,,,0.0,,
O=C(O)c1ccccc1NCN1C(=O)C2CC=C(Cl)CC2C1=O,CID3238481,,,,,,,,,0.0,,,,,,,0.0,
Cc1ccc(NCN2C(=O)C3CC=C(Cl)CC3C2=O)cc1,CID2870941,,,,,,0.0,,,,0.0,0.0,,,,,,
Cc1ccc(NCN2C(=O)C3CC=CCC3C2=O)cc1,CID3765754,,,,,,,,,,,,0.0,,,,,
CC(=O)N(CN1C(=O)C2CC=CCC2C1=O)c1cccc(Cl)c1,CID650561,0.0,0.0,,,,,,,,0.0,,0.0,,,,0.0,
Cc1ccc(C)c(N2CCN(C(=O)CCNC(=O)Cn3ccc4ccccc4c3=O)CC2)c1,CID3238480,0.0,,,,,,,0.0,,,0.0,0.0,,,,,0.0
O=C(Cn1ccc2ccccc2c1=O)NCCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1,CID3235963,0.0,,,,0.0,,,,,,,,,,,,
COc1ccc(N2CCN(C(=O)CCNC(=O)Cn3ccc4ccccc4c3=O)CC2)cc1,CID16003411,,,,,,,,,,,,,,0.0,,,
Cc1cccc(N2CCN(C(=O)CCNC(=O)Cn3ccc4ccccc4c3=O)CC2)c1C,CID3236592,0.0,,,,,,0.0,,,,,0.0,,,,,
O=c1[nH]c(=O)n(CCOc2ccc(Cl)cc2)cc1Br,CID674163,0.0,,,,,,,,,,,,,,,,0.0
Cc1ccc(OCCn2cc(Br)c(=O)[nH]c2=O)cc1,CID674162,,,,,,,,,,,0.0,0.0,,,,,
O=c1ccn(CCOc2ccc(Cl)cc2)c(=O)[nH]1,CID718039,,0.0,,0.0,,,,,,0.0,,,0.0,,,0.0,
Cc1ccc(OCCn2ccc(=O)[nH]c2=O)cc1C,CID718033,,,,,,0.0,0.0,,,0.0,,,0.0,,,,
Cc1ccc(C)c(S(=O)(=O)N2CCN(c3ncccn3)CC2)c1,CID2531299,,,,,,,,,,,,,,,0.0,,
O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2ncccn2)CC1,CID703841,,,,,,,,,,,,,,,0.0,,
O=S(=O)(c1ccccc1)N1CCN(c2ncccn2)CC1,CID4669887,,,,,,,,,,,0.0,,,,,,
O=S(=O)(c1cc(F)cc(F)c1)N1CCN(c2ncccn2)CC1,CID2349149,,,,,0.0,,,,,0.0,,,,,0.0,,0.0
Cc1sc2ncnc(SCC(=O)c3cccs3)c2c1C,CID705290,,,,,0.0,,,,0.0,,,,,0.0,0.0,,
CCc1cc2c(SCC(=O)c3cccs3)ncnc2s1,CID763275,,,,,0.0,,,,0.0,,,,,,,,
CCc1cc2c(SCC(=O)c3ccc(Cl)s3)ncnc2s1,CID1312505,,,,,,,,,0.0,,,,,,,,
Cc1sc2ncnc(SCC(=O)c3ccc(Cl)s3)c2c1C,CID1330453,,,,,,,,,0.0,,,,,0.0,,,
Cc1ccc2oc(-c3cccc(NC(=O)c4ccc(Br)o4)c3C)nc2c1,CID1366060,,,,,,,,,0.0,,,,,,0.0,,
Cc1ccc2oc(-c3cccc(NC(=O)c4ccc(Br)o4)c3)nc2c1,CID1283635,,,,,,,,,0.0,,,0.0,,,0.0,,
Cc1cc2nc(-c3cccc(NC(=O)c4ccc(Br)o4)c3C)oc2cc1C,CID1334231,0.0,,,,,,0.0,,0.0,,0.0,,,,,,0.0
Cc1cc2nc(-c3cccc(NC(=O)c4ccc(Br)o4)c3)oc2cc1C,CID1365524,,,,,,,,,0.0,,0.0,0.0,,,,,
Cc1oc2ccc(O)c(CN3CCOCC3)c2c1C(=O)c1ccc(Cl)cc1,CID1208343,0.0,,0.0,,,,0.0,,,,,,,,,0.0,
COc1ccc(OC)c(C(=O)c2coc3ccc(O)c(CN4CCOCC4)c23)c1,CID645092,,,0.0,,0.0,,,,,,,,,,,,
COc1ccc(C(=O)c2c(C)oc3ccc(O)c(CN4CCOCC4)c23)cc1,CID1377475,,,,0.0,,,,,,,,,,,,,
COc1ccc(C(=O)c2coc3ccc(O)c(CN4CCOCC4)c23)cc1,CID1208312,,,,0.0,0.0,,,,,,,,,,,,
COc1cccc(-n2c(=O)[nH]cc(C(=O)Nc3ccc4c(c3)OCCO4)c2=O)c1,CID4113281,,,,0.0,,,,0.0,,,,,,,,,
COc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3ccc4c(c3)OCCO4)c2=O)cc1,CID3238370,,,,,,,,,,,0.0,,0.0,,,,
Cc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3ccc4c(c3)OCCO4)c2=O)cc1C,CID3242073,,,,0.0,,,,0.0,0.0,,,,,,,,
Cc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3ccc4c(c3)OCCO4)c2=O)cc1,CID3239294,,,,0.0,,0.0,,,,,,,,,,,
Cc1ccc(Nc2cc(-n3nc(C)cc3C)ncn2)cc1,CID791111,0.0,,0.0,,,,,0.0,,,,,,,,,
Cc1ccc(Nc2cc(-n3nc(C)cc3C)ncn2)c(C)c1,CID791112,0.0,0.0,0.0,0.0,,,,,,0.0,,,,,,,
Fc1cccc(Nc2cc(-n3cccn3)ncn2)c1,CID796100,,0.0,,,,,,,,0.0,0.0,0.0,,,,,
Cc1ccc(Nc2cc(-n3cccn3)ncn2)c(C)c1,CID796094,,,,,,0.0,,,,,,,,,,,
Cc1ccc(CSc2nc3sc(C)c(C)c3c(=O)n2Cc2ccco2)cc1,CID1996039,,,,,,0.0,,,,,,,,0.0,,,
COc1cccc(CSc2nc3sc(C)c(C)c3c(=O)n2Cc2ccco2)c1,CID663232,,,,,,,,,,0.0,,,0.0,0.0,,,0.0
Cc1cccc(CSc2nc3sc(C)c(C)c3c(=O)n2Cc2ccco2)c1,CID1993414,,,,,,,,,,,0.0,,,0.0,,,
Cc1sc2nc(SCc3ccccc3)n(Cc3ccco3)c(=O)c2c1C,CID3593687,,,,,,0.0,,,,,,,,,,,
COc1cc(C2NC(=O)NC(C)=C2C(=O)OC2CCCCC2)cc(Br)c1O,CID2855213,0.0,,,,,,,,0.0,,,,,,,,0.0
COc1ccccc1C1NC(=O)NC(C)=C1C(=O)OC1CCCCC1,CID2836900,0.0,,0.0,0.0,,,,0.0,0.0,,,,,,0.0,,0.0
CCOc1ccccc1C1NC(=O)NC(C)=C1C(=O)OC1CCCCC1,CID2855787,0.0,,,0.0,,,,,0.0,,,0.0,,,,,0.0
COc1cc(C2NC(=O)NC(C)=C2C(=O)OC2CCCC(C)C2)ccc1O,CID2848468,,,,,,,,0.0,,,,,,,,,0.0
O=C(CSc1nnc2scc(-c3ccccc3)n12)NCc1ccco1,CID1179266,,0.0,0.0,,0.0,,,,,,,,0.0,0.0,0.0,,
Cc1ccc(-c2csc3nnc(SCC(=O)NCc4ccco4)n23)cc1,CID1179302,0.0,,,0.0,0.0,,0.0,,0.0,,0.0,,0.0,,,,
O=C(CSc1nnc2scc(-c3ccc(Cl)cc3)n12)NCc1ccco1,CID1279853,,0.0,,,,,,,0.0,,0.0,,,,0.0,,0.0
O=C(CSc1nnc2scc(-c3ccc(F)cc3)n12)NCc1ccco1,CID649740,0.0,,,0.0,0.0,0.0,0.0,,,0.0,0.0,,,,,,
COc1ccc(/C=N/n2c(SC)nnc(C(C)(C)C)c2=O)c(OC)c1,CID1181897,,,,,,0.0,,,,,,,,,,,
COc1ccc(/C=N/n2c(SC)nnc(C(C)(C)C)c2=O)cc1OC,CID1351643,,,,,,0.0,,,,,0.0,,,,,,
CCOc1ccc(/C=N/n2c(SC)nnc(C(C)(C)C)c2=O)cc1,CID764056,,,,,,,,,,,,0.0,,,,,
COc1ccc(/C=N/n2c(SC)nnc(C(C)(C)C)c2=O)cc1,CID764052,,,,,,0.0,,,,,0.0,,,,,,
CCCc1[nH]nc2c1C(c1cccnc1)C(C#N)=C(N)O2,CID2865513,,,,,,,0.0,,,,0.0,,,,,,0.0
CC(C)c1[nH]nc2c1C(c1cccnc1)C(C#N)=C(N)O2,CID664299,,0.0,,,,,,,,,,,0.0,,,0.0,
CCc1[nH]nc2c1C(c1cccnc1)C(C#N)=C(N)O2,CID2952987,,0.0,,0.0,,,0.0,,,0.0,,0.0,,,,0.0,
CC(C)(C)c1[nH]nc2c1C(c1cccnc1)C(C#N)=C(N)O2,CID612356,,,,,,0.0,,,,,,,,,,0.0,
C=CCNC(=O)/C(=C\C=C\c1ccccc1)NC(=O)c1ccc(OCCCC)cc1,CID5731923,,,,,,0.0,,,,,,,,0.0,,,
CCCCOC(=O)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1,CID1722392,,,,,,,,,,,,,,,0.0,,
CCCCOc1ccc(C(=O)N/C(=C/C=C/c2ccccc2)C(=O)NC)cc1,CID2255059,,,,,,,,,,,,,,,0.0,,
CNC(=O)/C(=C\C=C\c1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1,CID5727092,,,,,,,,,,,,,,0.0,,,
CCc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=O)Nc3cccc(Cl)c3)cc2c1,CID649139,,,,,0.0,,,,,,,,0.0,,,,
CCc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=O)Nc3ccc(Cl)cc3)cc2c1,CID650952,,,0.0,,0.0,,,,,,,,,,,,0.0
CCc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=O)Nc3ccccc3)cc2c1,CID652099,0.0,,,,,,,,,,0.0,,,,,0.0,0.0
Cc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=O)Nc3cccc(Cl)c3)cc2c1,CID645871,0.0,,,,0.0,,,,,0.0,0.0,,,,,,
CCOC(=O)N1CCC(NC(=O)c2cc3c(-c4ccccc4F)nn(C)c3s2)CC1,CID5307579,0.0,,,,,0.0,,0.0,,,,,0.0,,,,
CCOC(=O)N1CCC(NC(=O)c2cc3c(-c4ccc(Cl)cc4)nn(C)c3s2)CC1,CID5307493,0.0,0.0,,,,,,,,,,,,,,,
CCOC(=O)N1CCC(NC(=O)c2cc3c(-c4cccc(OC)c4)nn(C)c3s2)CC1,CID3239813,0.0,,0.0,,0.0,,,,,,,,,,,0.0,0.0
CCOC(=O)N1CCC(NC(=O)c2cc3c(-c4ccc(OC)c(OC)c4)nn(C)c3s2)CC1,CID3240329,0.0,,0.0,0.0,0.0,,,,,,,,,,,,0.0
Cc1cccc(CCNC(=O)c2nnc(Cc3ccc(Cl)cc3)o2)c1,CID5307574,0.0,,,,,,0.0,,,,0.0,,0.0,,,0.0,
O=C(NCCc1ccc(Cl)cc1)c1nnc(Cc2ccc(Cl)cc2)o1,CID5307681,0.0,,0.0,0.0,,,,,,,,,0.0,,,,
CCOc1ccc(CCNC(=O)c2nnc(Cc3ccc(F)cc3)o2)cc1OCC,CID5308048,,,,,,,,0.0,,,,,,,,,
COc1ccc(CCNC(=O)c2nnc(Cc3c(F)cccc3Cl)o2)cc1OC,CID666278,0.0,,0.0,,,,,,,,,,,,0.0,0.0,
COc1cc(C2/C(=C(\O)c3ccc(F)cc3)C(=O)C(=O)N2c2nncs2)ccc1O,CID5349577,,,,,,0.0,,,,,,,,,,,
O=C1C(=O)N(c2nncs2)C(c2ccc(F)cc2)/C1=C(\O)c1ccccc1,CID5349551,,,,,,0.0,,,,,,,,,,,
COc1ccc(C2/C(=C(\O)c3ccc(F)cc3)C(=O)C(=O)N2c2nncs2)cc1,CID5349669,,,,,,0.0,,,,,,,,,,,
CC(C)(C)c1ccc(C2/C(=C(\O)c3ccc(F)cc3)C(=O)C(=O)N2c2nncs2)cc1,CID5349511,,,,,,0.0,,,,,,,,,,,
COC(=O)c1ccc(C(=O)/C(C#N)=C2/Nc3ccccc3S2)cc1,CID5771440,,,,,,0.0,1.0,0.0,,,,,,,,,
COc1ccc(C(=O)/C=C2\Sc3ccccc3N2C)cc1,CID2146420,,,,,,,,,,,,,,0.0,,,
COc1cccc(C(=O)/C=C2\Sc3ccccc3N2C)c1,CID2203346,,,,,,,,,,,,,,0.0,,,
COc1cc(OC)cc(C(=O)/C=C2\Sc3ccccc3N2C)c1,CID2201611,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C)c(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)NCC2CCCO2)c1,CID3242357,,,,0.0,,,,,,,0.0,,,,,,0.0
O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(Cl)cc1)NCC1CCCO1,CID3245720,,,,,0.0,,,,0.0,,,,,,,,
Cc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)NCC2CCCO2)c1,CID3367903,,0.0,,,,,,,,,,,,,,,
O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccccc1)NCC1CCCO1,CID3241078,,0.0,0.0,0.0,,,,,,,0.0,,,,,,
O=C(CSc1nc(O)c(Cc2ccccc2)c(=O)[nH]1)Nc1ccccc1,CID1379557,,,,,0.0,,,,,,,,,0.0,,,0.0
CC(Sc1nc(O)c(Cc2ccccc2)c(=O)[nH]1)C(=O)Nc1cccc(Cl)c1,CID2956841,,,,,,,,,,,,0.0,,,,,
CC(Sc1nc(O)c(Cc2ccccc2)c(=O)[nH]1)C(=O)Nc1ccc(Cl)cc1,CID2945339,,,,,,,,,,,0.0,0.0,,,,,
COc1ccc(NC(=O)CSc2nc(O)c(Cc3ccccc3)c(=O)[nH]2)cc1,CID1073972,,,,,0.0,,,,,,0.0,,,,,,
O=C(NCCc1ccccc1)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1,CID3240591,,,,,,,,,,,0.0,,,,,0.0,0.0
O=C(NCCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1,CID3236872,,,0.0,,0.0,,,,0.0,,0.0,,,,,,
COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3cccc4nonc34)CC2)cc1OC,CID3242339,,,,,0.0,,,,0.0,,,,,,,,
Cc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3cccc4nonc34)CC2)cc1,CID3239991,,,0.0,,,0.0,,,,,,,,,,0.0,0.0
CN(CC(=O)N1CCCC1)S(=O)(=O)c1ccc(Cl)cc1,CID804278,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccc(S(=O)(=O)NCC(=O)N2CCCC2)cc1,CID893415,,,,,,,,,,0.0,,,,,,,
CCN(CC(=O)N1CCCC1)S(=O)(=O)c1ccc(Cl)cc1,CID934904,,,,,,,,,,0.0,,,,,,,
Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)N2CCCC2)c1C,CID852267,,,0.0,,,,0.0,,,,0.0,,,,,0.0,0.0
Cc1nc2cc(-c3cccc(Cl)c3)nn2c(N2CCN(C(=O)c3ccco3)CC2)c1C,CID644556,0.0,,,,,,,,,,,,,,,,
Cc1cc(N2CCN(C(=O)c3ccco3)CC2)n2nc(-c3cccc(Cl)c3)cc2n1,CID652994,,,0.0,,,,0.0,,,,,,0.0,,,,0.0
Cc1cc(N2CCN(C(=O)c3ccco3)CC2)n2nc(-c3cccc(F)c3)cc2n1,CID648347,,0.0,,0.0,,,,,,,,,,,,,
COc1cc(OC)cc(-c2cc3nc(C)cc(N4CCN(C(=O)c5ccco5)CC4)n3n2)c1,CID1434708,,,,,,,,,,,,,,0.0,,,
O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1ccco1,CID763427,,,0.0,0.0,0.0,,0.0,0.0,,,0.0,,,,,,
Cc1ccc(NC(=O)c2cccs2)cc1NC(=O)c1ccco1,CID655284,0.0,,0.0,,0.0,,,0.0,,,0.0,,,,,,
COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cccs1,CID953064,,,,0.0,0.0,,,,,,,,,,,,
COc1ccc(NC(=O)c2cccs2)cc1NC(=O)c1ccco1,CID2185182,,,,,,0.0,,,,,0.0,,,,,,
CSCc1c(C(=O)Nc2ccc(N3CCOCC3)cc2)oc2ccccc12,CID2525863,,,,,,,,,,0.0,0.0,,,,,,
O=C(Nc1ccc(N2CCOCC2)cc1)c1cc2ccccc2o1,CID783430,0.0,0.0,0.0,,,,0.0,,0.0,,,,,,,,
Cc1c(C(=O)Nc2ccc(N3CCOCC3)cc2)oc2ccccc12,CID647689,0.0,,,,,,,,0.0,,,,,,,,
O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1cc2ccccc2o1,CID2276013,,,,,,,,,,0.0,,,,,,,
CC(C)CC(NC(=O)C1CCCCC1)C(=O)NCc1ccccn1,CID3243575,,,,,0.0,,0.0,,,,,,,,,,
CCC(C)C(NC(=O)C1CCC(C)CC1)C(=O)NCc1ccccn1,CID9550397,,,,,,0.0,,,,,,,,,,,
CC(C)CC(NC(=O)C1CCC(C)CC1)C(=O)NCc1ccccn1,CID9551524,,,,,,,,,0.0,,0.0,,,,,,
CC(C)C(NC(=O)C1CCCCC1)C(=O)NCc1ccccn1,CID3244177,,0.0,0.0,,0.0,0.0,,,,,,,,,,0.0,
N#CCSc1nc2c(sc(=S)n2Cc2ccco2)c(=O)n1-c1ccc(F)cc1,CID3243578,,,,,0.0,,,,0.0,,,,,,,,
CCC(C)NC(=O)CSc1nc2c(sc(=S)n2Cc2ccco2)c(=O)n1-c1ccccc1,CID5127615,,,,,,,,,,,,,,,0.0,,
CCOC(=O)CSc1nc2c(sc(=S)n2Cc2ccco2)c(=O)n1-c1ccccc1,CID3242719,,,,,0.0,,,,0.0,,,,,,,,
CCOC(=O)CSc1nc2c(sc(=S)n2Cc2ccco2)c(=O)n1-c1ccc(F)cc1,CID3245165,,,,,0.0,,,,,,,,,,,0.0,
Cc1ccc(SCc2cc(=O)n3[nH]cnc3n2)cc1,CID939179,,0.0,,,,,,,,,,0.0,,,,0.0,
Cc1ccc(SCc2cc(=O)n3[nH]c(C)nc3n2)cc1,CID1257476,,0.0,0.0,,,,0.0,,,0.0,0.0,,,,,0.0,0.0
O=c1cc(CSc2ccc(Cl)cc2)nc2nc[nH]n12,CID944135,0.0,,,0.0,0.0,,,,,,,,0.0,,,,0.0
Cc1nc2nc(CSc3ccc(Cl)cc3)cc(=O)n2[nH]1,CID1834019,,,,,,,,,,,0.0,,,,0.0,,
Cc1ccc2[nH]c(=O)c3cc(C(=O)N(CCCOC(C)C)Cc4ccco4)sc3c2c1,CID9551548,,,,,,,,,,0.0,,,,,,,
Cc1ccc2[nH]c(=O)c3cc(C(=O)N(C)Cc4ccco4)sc3c2c1,CID6324568,,0.0,,,,0.0,,,,0.0,,,,,,,
CCCCN(Cc1ccco1)C(=O)c1cc2c(=O)[nH]c3ccc(C)cc3c2s1,CID6620127,,,,,,0.0,,,,,,,,,,,
CCOCCCN(Cc1ccco1)C(=O)c1cc2c(=O)[nH]c3ccc(C)cc3c2s1,CID9550523,,,,,,,,,,,,,,,0.0,,
O=C(NC(=S)Nc1ccc(Oc2ccccc2)cc1)c1ccc(Cl)cc1,CID1014412,,,,,,,,,,,,,,,0.0,,
O=C(NC(=S)Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccccc1,CID1347073,,,,,,,,,,,,0.0,,,0.0,,
Cc1ccc(C(=O)NC(=S)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1,CID1209279,,,,,,,,,,,,,,,0.0,,
Cc1ccccc1C(=O)NC(=S)Nc1ccc(Oc2ccc(Cl)cc2)cc1,CID1048203,,,,,,,,,,,,0.0,,,0.0,,
CCC(C)NC(=O)C1CCCN(C(=O)NC2CCCCC2)C1,CID3222852,,,,,,,,,,0.0,,,,,,,
O=C(O)C1CCN(C(=O)NC2CCCCC2)CC1,CID857246,,,,,,0.0,,,,,,,,,,,
COC(=O)C1CCN(C(=O)NC2CCCCC2)CC1,CID894690,,,,,,,,,,,,,0.0,,,,
NC(=O)C1CCCN(C(=O)NC2CCCCC2)C1,CID2947158,,,0.0,,,,,,,,,0.0,,,,0.0,
Cc1nc2ccc(S(=O)(=O)NCC(=O)N3CCC(C)CC3)cc2s1,CID3239139,0.0,,0.0,,0.0,,,,0.0,,0.0,,0.0,,,,0.0
Cc1nc2ccc(S(=O)(=O)NCC(=O)N3CCCC(C)C3)cc2s1,CID3240523,0.0,0.0,0.0,0.0,0.0,0.0,,,0.0,0.0,,,,,,,
Cc1nc2ccc(S(=O)(=O)NC(C(=O)N3CCC(C)CC3)C(C)C)cc2s1,CID5309793,0.0,,,,,0.0,,,,,0.0,,,,,,
Cc1nc2ccc(S(=O)(=O)NCC(=O)N3CCCCC3)cc2s1,CID3244051,0.0,,,,0.0,,,,0.0,,,,,0.0,,,
O=C(CSc1ccc(-c2ccc(F)cc2)nn1)N1CCCCC1,CID645053,,0.0,0.0,,0.0,,0.0,,,,0.0,,,,,0.0,0.0
CC1CCCCN1C(=O)CSc1ccc(-c2ccc(F)cc2)nn1,CID645733,0.0,,0.0,,0.0,,,,,,,,,,,0.0,0.0
CC1CCN(C(=O)CSc2ccc(-c3ccc(F)cc3)nn2)CC1,CID654563,0.0,0.0,,,0.0,,0.0,,0.0,,0.0,,,,,0.0,0.0
O=C(CSc1ccc(-c2ccccc2)nn1)N1CCCCC1,CID7205712,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccc(C(=O)COC(=O)CNC(=O)c2cccs2)cc1,CID3158560,,,,,,,,,0.0,,,,,,,,
CCc1ccc(C(=O)COC(=O)CNC(=O)c2cccs2)cc1,CID3158563,,,,,,,,,0.0,0.0,,0.0,,,,,
O=C(CNC(=O)c1cccs1)OCC(=O)c1ccc(Br)cc1,CID2397735,,,,,,,,,,,,,,0.0,,,
O=C(CNC(=O)c1cccs1)OCC(=O)c1ccccc1,CID3116656,,,,,,,,,0.0,,,,,,,,
CCCN1CCN(CCCNC(=O)Cn2nc(-c3ccc(C)cc3)ccc2=O)CC1,CID3245998,,,,,,,,0.0,,,0.0,,0.0,,,,
CCCN1CCN(CCCNC(=O)Cn2nc(-c3ccccc3)ccc2=O)CC1,CID3237111,,,0.0,,,,,,,,,,0.0,,0.0,,0.0
CCCN1CCN(CCCNC(=O)Cn2nc(-c3ccc(Cl)cc3)ccc2=O)CC1,CID3245133,0.0,,,,,,,,,,,,,,,,
CN1CCN(CCCNC(=O)Cn2nc(-c3ccccc3)ccc2=O)CC1,CID3235823,,,0.0,0.0,,,0.0,0.0,,,,,,,,,
COc1cccc(-n2c(SCC(=O)Nc3nccs3)nnc2-c2ccoc2C)c1,CID3214003,,,,,,,,,0.0,0.0,,0.0,,,,,
COc1ccc(-n2c(SCC(=O)Nc3nccs3)nnc2-c2ccoc2C)cc1,CID3214004,,,,,,,,,,,,0.0,,,,,
COc1ccc(-n2c(SCC(=O)Nc3nc(C)cs3)nnc2-c2ccoc2C)cc1,CID3213865,,,,,,,,,0.0,0.0,,,,,,,
CCOc1ccccc1-n1c(SCC(=O)Nc2nccs2)nnc1-c1ccoc1C,CID655196,,0.0,0.0,,,,,,0.0,0.0,,0.0,,,,0.0,0.0
CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)CC1,CID1094287,0.0,0.0,0.0,,,,0.0,0.0,,,,,,,,,
Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1,CID1259736,0.0,,,,0.0,,,0.0,,0.0,,,,,,0.0,
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1,CID1226685,,,,,,,,,,,0.0,,,,,,
Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1,CID1226680,,,,,,,,,,,0.0,,,,,,
COc1ccc(CC(=O)Nc2cc(=O)n(C)c(=O)n2C)cc1,CID2148436,,0.0,,,,,,,0.0,,,,,,,,
CCOc1ccc(CC(=O)Nc2cc(=O)n(C)c(=O)n2C)cc1,CID2148510,,,,,,,,,,,,,,,0.0,,
COc1ccc(CC(=O)Nc2cc(=O)n(C)c(=O)n2C)cc1OC,CID2148490,,,,,,,,,,,,,,0.0,,,
Cc1cccc(CC(=O)Nc2cc(=O)n(C)c(=O)n2C)c1,CID2148507,,0.0,,,,,,,0.0,,,,0.0,,,,
O=C(CCCNS(=O)(=O)c1cccc2nsnc12)NCc1ccc(Cl)cc1,CID3240252,,,,0.0,,,,,0.0,,,,,,,,
O=C(CCCNS(=O)(=O)c1cccc2nsnc12)NCc1ccccc1,CID3245217,0.0,0.0,,,0.0,,,,,0.0,,,,,,0.0,
COc1ccccc1CNC(=O)CCCNS(=O)(=O)c1cccc2nsnc12,CID3236645,0.0,0.0,,,0.0,0.0,0.0,,0.0,,,,,,,0.0,
O=C(CCCNS(=O)(=O)c1cccc2nsnc12)NCc1ccc(F)cc1,CID3244794,,0.0,,0.0,0.0,,,,,,,,,,,0.0,
CCOC(=O)c1ccc(NC(=O)CSc2nnnn2C2CCCCC2)cc1,CID1440810,,,,,,,,,,,0.0,,,,,,
COC(=O)c1ccc(NC(=O)CSc2nnnn2C2CCCCC2)cc1,CID1440811,,,,,,,,,,,0.0,,,0.0,,,
CCOC(=O)c1ccccc1NC(=O)CSc1nnnn1C1CCCCC1,CID645930,0.0,,0.0,,0.0,,,0.0,,,0.0,0.0,,,,0.0,
COC(=O)c1ccccc1NC(=O)CSc1nnnn1C1CCCCC1,CID2018646,,,0.0,0.0,0.0,,0.0,,,,0.0,,,,,0.0,
Cc1ccc(Sc2ncnc3onc(C)c23)cc1,CID1477398,,,,,,,,,,0.0,,0.0,,,,,
Cc1ccccc1Sc1ncnc2onc(C)c12,CID4594204,,,,,,,,,,0.0,,,,,,,
Cc1noc2ncnc(Sc3ccc(Cl)cc3)c12,CID1477400,,,,,,,,,,0.0,,,,,,,
Cc1ccc(Sc2ncnc3onc(C)c23)c(C)c1,CID1477403,,,,,,,,,,,,,,0.0,0.0,,
CCCc1cc(=O)nc(SCC(=O)N2CCN(c3ccccc3)CC2)[nH]1,CID1240332,0.0,0.0,0.0,0.0,,,,0.0,,,0.0,,,,,,
C=CCn1c(N)cc(=O)nc1SCC(=O)N1CCN(c2ccc(F)cc2)CC1,CID2942001,0.0,,,,,,,0.0,,,0.0,,,,,,
COc1ccccc1N1CCN(C(=O)CSc2nc(=O)cc(N)[nH]2)CC1,CID1250439,,,,,,,,,,0.0,,,,,,,
CCCc1cc(=O)nc(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)[nH]1,CID1409776,0.0,,,0.0,0.0,,0.0,,,,,,,,,,
CN1CCN(C(CNS(=O)(=O)c2ccc(F)cc2)c2cccnc2)CC1,CID3238186,,,,,,,,,,0.0,,,0.0,,,,
CCN1CCN(C(CNS(=O)(=O)c2ccc(OC)cc2)c2cccnc2)CC1,CID5310338,,,,0.0,,,,0.0,,,,,,,,,
COc1ccc(S(=O)(=O)NCC(c2cccnc2)N2CCN(C)CC2)cc1C,CID5310282,,0.0,,,,,,,,,,,,,,,
CN1CCN(C(CNS(=O)(=O)c2ccc(Cl)cc2)c2cccnc2)CC1,CID3236783,,,0.0,,0.0,,,,,,0.0,,,,,,0.0
CCN(c1ccc(NC(=O)COC(=O)/C=C/c2cccs2)cc1)C(C)C,CID2413037,,,,,,,,,,,,,,0.0,,,
CC(OC(=O)/C=C/c1cccs1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,CID6217772,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)c(NC(=O)COC(=O)/C=C/c2cccs2)c(C)c1,CID2391381,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccc(NC(=O)COC(=O)/C=C/c2cccs2)c(C)c1,CID2371634,,,,,,,,,,,,,,0.0,,,
Cc1nc2sc(-c3ccccc3)cc2c(=O)n1-n1cccc1,CID1228645,,0.0,0.0,,0.0,0.0,,,,,,,,0.0,,0.0,
Cc1ccc(C)n1-n1c(C)nc2sc(-c3ccccc3)cc2c1=O,CID711116,0.0,,,,0.0,,0.0,,,,,,0.0,,0.0,0.0,
O=c1c2cc(-c3ccccc3)sc2ncn1-n1cccc1,CID706035,,,,,,,,,,0.0,,,,0.0,,,
Cc1ccc(C)n1-n1cnc2sc(-c3ccccc3)cc2c1=O,CID705278,0.0,0.0,,,0.0,,0.0,,,,,,,,,0.0,
CC(C)c1nc2sc3c(c2c(=O)o1)CCCC3,CID659076,,,,,0.0,,0.0,,,,,,,,,,
CCc1nc2sc3c(c2c(=O)o1)CCCC3,CID658738,,,0.0,,0.0,,,,,,,,,,,,
Cc1nc2sc3c(c2c(=O)o1)CCCC3,CID384428,,,,,0.0,,,,,,,,0.0,,,,
CC(C)(C)c1nc2sc3c(c2c(=O)o1)CCCC3,CID723172,,,,,,0.0,,,,,,,,,,,
COc1ccc(N2CCN(C(CNS(=O)(=O)c3cccs3)c3cccnc3)CC2)cc1,CID3244332,,,,,,,,,,,,,,,,,0.0
O=S(=O)(NCC(c1cccnc1)N1CCN(c2ccccc2)CC1)c1cccs1,CID3237610,,,,,0.0,0.0,,,,,0.0,,0.0,,,0.0,
COc1ccccc1N1CCN(C(CNS(=O)(=O)c2cccs2)c2cccnc2)CC1,CID4073130,,,,,,,,,,,,,,,,0.0,
O=S(=O)(NCC(c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)c1cccs1,CID4079114,,,0.0,,0.0,,,,,,,,,,,,
COc1cc(C(=O)Oc2c(CN3CCOCC3)cc(Cl)c3cccnc23)cc(OC)c1OC,CID1534926,,,,,,,,,,,,,,,,0.0,
COc1ccc(C(=O)Oc2c(CN3CCOCC3)cc(Cl)c3cccnc23)cc1OC,CID1534927,,,,,,,0.0,,0.0,,,,0.0,,,0.0,0.0
COc1ccc(C(=O)Oc2c(CN3CCOCC3)cc(Cl)c3cccnc23)cc1,CID1534922,0.0,,0.0,,,,,,,,,,,,0.0,0.0,0.0
O=C(Oc1c(CN2CCOCC2)cc(Cl)c2cccnc12)c1ccc(F)cc1,CID1242782,,,,,,,,,,,,,,,,0.0,0.0
CCN(CC)CC(=O)Nc1cc(C)c2c(=O)oc3ccccc3c2n1,CID5310102,0.0,0.0,,,,,,,,,0.0,,,,,,0.0
CCCC(=O)Nc1cc(C)c2c(=O)oc3ccccc3c2n1,CID4459714,,,,0.0,,,,0.0,,,,,0.0,,,,
Cc1cc(NC(=O)CC(C)(C)C)nc2c1c(=O)oc1ccccc12,CID3236750,,0.0,,,,,,,,,0.0,,,,,0.0,
CCCCC(=O)Nc1cc(C)c2c(=O)oc3ccccc3c2n1,CID3241673,,,,,,,,,,,,0.0,0.0,,,,
CC(NC(=O)CSc1nc2ccccc2c(=O)n1CCCO)c1ccccc1,CID3000158,,,,,,,,,0.0,,,,,,,0.0,
O=C(CSc1nc2ccccc2c(=O)n1CCCO)NCc1ccccc1,CID2575543,,,,0.0,,,0.0,,0.0,,0.0,,,,,,
CCn1c(SCC(=O)NCc2ccccc2)nc2ccccc2c1=O,CID647622,0.0,0.0,0.0,0.0,0.0,,,0.0,,,,0.0,,,0.0,,0.0
Cc1ccc(CNC(=O)CSc2nc3ccccc3c(=O)n2CCCO)cc1,CID2575386,,0.0,,,0.0,,0.0,0.0,0.0,,0.0,,,,,,
COc1cccc(NC(=O)N2CCCC2C(=O)Nc2ccc3c(c2)OCO3)c1,CID656117,,,0.0,,,,,,0.0,,,,,,,,0.0
O=C(Nc1ccc2c(c1)OCO2)C1CCCN1C(=O)Nc1cccc(F)c1,CID649692,,,0.0,,,0.0,,,0.0,,,,,,,,0.0
COc1ccccc1NC(=O)N1CCCC1C(=O)Nc1ccc2c(c1)OCO2,CID646276,,,0.0,,,,,,,,,,,,,,
O=C(Nc1ccc2c(c1)OCO2)C1CCCN1C(=O)Nc1ccccc1F,CID652263,,,0.0,,,,,0.0,,,,,,,,,
Clc1cccc(-c2nnc(SCc3nc4ccccc4[nH]3)n2Cc2ccco2)c1,CID667188,0.0,0.0,0.0,,0.0,0.0,,,,,,0.0,,,,,
Cc1ccc(-c2nnc(SCc3nc4ccccc4[nH]3)n2Cc2ccco2)cc1,CID2438953,,,,,,,,,,,0.0,,,0.0,,,
Cc1cccc(-c2nnc(SCc3nc4ccccc4[nH]3)n2Cc2ccco2)c1,CID664941,0.0,,0.0,,0.0,,0.0,,,,,0.0,0.0,,,,
c1ccc(-c2nnc(SCc3nc4ccccc4[nH]3)n2Cc2ccco2)cc1,CID2438920,,,,,,,,,,,0.0,,,,,,
O=C(O)c1cnc(N2CCOCC2)nc1,CID3160979,,,,,,,,,,,,,,0.0,,,
CNCCOc1nc(N2CCOCC2)nc(C)c1[N+](=O)[O-],CID3725334,,,,,,,,,,,,,,0.0,,,
CCCCNc1cc(C)nc(N2CCOCC2)n1,CID1880359,,,,,,0.0,,,,,,0.0,,0.0,,,
CCOc1nc(N2CCOCC2)nc(C)c1[N+](=O)[O-],CID3695027,,,,,,,,,,,,,,,0.0,,
Cc1ccc(OCCN2CCN(C(=O)CCC(=O)Nc3nnc(C)s3)CC2)cc1,CID663757,,,,0.0,,,,,,,,,0.0,,,,
Cc1ccc(OCCN2CCN(C(=O)CCC(=O)Nc3nnc(C(C)C)s3)CC2)cc1,CID664676,,,,0.0,0.0,,,,,,,,,,,,
CCc1nnc(NC(=O)CCC(=O)N2CCN(CCOc3ccc(C)cc3)CC2)s1,CID663447,,,0.0,,0.0,,,0.0,,,0.0,,,,,,0.0
CCCc1nnc(NC(=O)CCC(=O)N2CCN(CCOc3ccc(C)cc3)CC2)s1,CID664672,,,,0.0,0.0,,,,,0.0,,,,0.0,,,
CCCC(C(=O)NC1CCCCC1)N(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(F)cc1,CID649739,,,,,,,,,,,0.0,,,0.0,,,
CC(C)C(C(=O)NC1CCCCC1)N(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(F)cc1,CID651522,,,0.0,,0.0,,,,,,,,,,,,
Cc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NC2CCCCC2)CC2CCCO2)cc1,CID3206886,,,,,,,,,0.0,,0.0,0.0,,,,,
CCC(C(=O)NC1CCCCC1)N(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(OC)cc1,CID647210,,,0.0,,0.0,,,0.0,0.0,,0.0,,0.0,,,,
CC(C)CNC(=O)C1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1,CID648370,,,,0.0,,,,,,,,,,,0.0,0.0,
CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)c(C)c2)CC1,CID652374,,0.0,,,,,,,,,,,,,,,
CCC(C)NC(=O)C1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1,CID648118,,0.0,0.0,,,,0.0,,,,,,,0.0,,0.0,
CCCCNC(=O)C1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1,CID646412,,0.0,,,0.0,,,0.0,,,,,0.0,,,,
COc1cc(NC(=O)c2cccs2)c(OC)cc1NC(=O)c1ccco1,CID648371,,,,0.0,0.0,,,,,,,,,,,0.0,
COc1cc(NC(=O)c2cccs2)ccc1NC(=O)c1ccco1,CID738843,0.0,,,0.0,0.0,,0.0,,,,,,,,,,
O=C(Nc1ccc(NC(=O)c2cccs2)c(Cl)c1)c1ccco1,CID885660,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccc(NC(=O)c2cccs2)cc1)c1ccc(Br)o1,CID1349211,,,,,,,,,0.0,,,,,0.0,,,
c1ccc(-c2nnc(CSc3nc4ccccc4[nH]3)o2)cc1,CID2187677,,0.0,,0.0,0.0,,0.0,0.0,,,,,,,,0.0,0.0
Clc1ccc2nc(SCc3nnc(-c4ccccc4)o3)[nH]c2c1,CID653645,0.0,0.0,,,0.0,,0.0,,,,,,0.0,,0.0,,0.0
Cc1ccc2nc(SCc3nnc(-c4ccccc4)o3)[nH]c2c1,CID2084268,,,,,,0.0,,,,0.0,0.0,,,,,,
Cc1ccc2nc(SCc3nnc(-c4ccccc4Br)o3)[nH]c2c1,CID2493464,,,,,,,,,0.0,,,,,,,,
COCCNC(=O)C(c1ccc(C)o1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1,CID650844,,,,,,,0.0,,,,,,,,0.0,,
COCCNC(=O)C(c1ccc(C)o1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)cc(C)c1,CID650714,,,,0.0,,,,,,,0.0,,,,,,
CCOc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)C(C(=O)NCCC(C)C)c1ccco1,CID652855,,,,,0.0,,,,,,,,,0.0,0.0,,
COc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)C(C(=O)NCCC(C)C)c1ccco1,CID654898,,,,0.0,0.0,,0.0,,,,,,,,,,
CN(CCC(=O)Nc1ccc(Br)cc1)Cc1ccccc1,CID1341065,,,,,,,,,0.0,,0.0,,,,,,
COC(=O)c1ccccc1NC(=O)CC(NCc1ccccc1)C(=O)O,CID2957947,,,,,0.0,,,,,,,,,,,,
COc1ccccc1NC(=O)CC(NCc1ccccc1)C(=O)O,CID3239321,,,,,0.0,,,,,,,,,,,,0.0
CCN(CCC(=O)Nc1cc(OC)cc(OC)c1)Cc1ccccc1,CID1340180,0.0,0.0,,,,,0.0,,,,,,,,,,
Cc1ccc(OCc2nnc(NC(=O)c3ccccc3)s2)c(C)c1,CID5346718,,,,,,0.0,,,,,,,,,,,
Cc1cccc(C(=O)Nc2nnc(COc3ccccc3)s2)c1,CID810809,,,,,,,,,,,,,,0.0,,,
Cc1ccc(OCc2nnc(NC(=O)c3ccccc3)s2)cc1C,CID5346743,,,,,,0.0,,,,,,,,,,,
O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)c1ccc([N+](=O)[O-])cc1,CID1042615,,,,,,,,,,,,0.0,,,,,
COc1ccccc1CN(C)c1nnnn1-c1ccccc1,CID2440731,,,,,,,,,,,,,,,0.0,,
Clc1cccc(CNc2nnnn2-c2ccccc2)c1,CID2499898,,,,,,0.0,,,,,,,,,,,
c1ccc(CNc2nnnn2-c2ccccc2)cc1,CID1085717,,,,,,,,,,,,0.0,,,,,
CN(Cc1c(F)cccc1Cl)c1nnnn1-c1ccccc1,CID2998534,,0.0,0.0,,,,0.0,,,,,,,,,,
COc1cccc(/C(O)=C2\C(=O)C(=O)N(c3ccccn3)C2c2cccc(OC)c2OC)c1,CID5774890,,,,,,0.0,,,,,,,,,,,
COc1cccc(/C(O)=C2/C(=O)C(=O)N(c3ccccn3)C2c2ccc(OC)c(OC)c2)c1,CID9551631,,,,,,,,,,,0.0,,,,,,
COc1cccc(/C(O)=C2\C(=O)C(=O)N(c3ccccn3)C2c2ccccc2OC)c1,CID5389357,,,,,,,,0.0,,0.0,,,,,,0.0,
COc1ccc(C2/C(=C(\O)c3cccc(OC)c3)C(=O)C(=O)N2c2ccccn2)cc1,CID5900439,,,,,,0.0,,,,,,0.0,,,,,
C=CCn1nnc2sc3c(c2c1=O)CCC(C)C3,CID3239333,,,,,,,,,,,,,0.0,,,,
O=c1[nH]nnc2sc3c(c12)CCCC3,CID718273,,,,,,,,,,,,,,,,,0.0
Cn1nnc2sc3c(c2c1=O)CCCC3,CID937062,,,,,,,,,,,0.0,,,,,,
CCCn1nnc2sc3c(c2c1=O)CCC(C)C3,CID3241784,,,,,,,0.0,,,,,,0.0,,,,
COc1ccccc1CNC(=O)C1CCC(CNc2c(N3CCOCC3)c(=O)c2=O)CC1,CID5307099,,,,,,,,,,,,0.0,0.0,,,,
CCN(Cc1ccccc1)C(=O)C1CCC(CNc2c(N3CCOCC3)c(=O)c2=O)CC1,CID9550158,,,,,,0.0,,,,,,0.0,,,,,
COc1ccc(CNC(=O)C2CCC(CNc3c(N4CCOCC4)c(=O)c3=O)CC2)cc1,CID11957217,,,,,,0.0,,,,,,,,,,,
Cc1ccc(CNC(=O)C2CCC(CNc3c(N4CCOCC4)c(=O)c3=O)CC2)cc1,CID9551270,,,,,,0.0,,,,,,,,,,,
CCOC(=O)C1C(=O)NC2(C)CC1c1cc(OC)ccc1O2,CID2963437,,0.0,,,,0.0,0.0,0.0,,0.0,,,0.0,,,,
CCOC(=O)C1C(=O)N(C)C2(C)CC1c1ccccc1O2,CID3242117,,,,,,,,0.0,,0.0,,0.0,,,,,0.0
CC(C)OC(=O)C1C(=O)NC2(C)CC1c1ccccc1O2,CID647020,,,,,,,,0.0,,0.0,,,,,,,0.0
CCOC(=O)C1C(=O)N(C)C2(C)CC1c1cc(OC)ccc1O2,CID3240183,,,,0.0,,,,,,,,,,,,,0.0
Cc1csc(NC(=O)Cc2coc3cc(C)c(C(C)C)cc23)n1,CID2679200,,,,,,,,,,,,0.0,,,,,
Cc1ccc2c(CC(=O)Nc3nc(C)cs3)coc2c1,CID2679202,,0.0,,,0.0,,0.0,,,,,0.0,,,,,0.0
Cc1cc2occ(CC(=O)Nc3nccs3)c2cc1C(C)C,CID2399629,,,,,,,,,,,,0.0,,0.0,,,
Cc1cc(C)c2c(CC(=O)Nc3nccs3)coc2c1,CID2237717,0.0,,,,0.0,,0.0,,,,0.0,0.0,,,,0.0,0.0
CSc1nc2nc(-c3ccccc3)cc(=O)n2[nH]1,CID2033843,,,,,,,,,,,,0.0,,,,,
O=c1cc(-c2ccccc2)nc2nc[nH]n12,CID202792,,,,,,,,,,,,0.0,,0.0,,,
Nc1nc2nc(-c3ccccc3)cc(=O)n2[nH]1,CID681947,,,,,,,,,,,,,,0.0,,,
Cc1nc2nc(-c3ccccc3)cc(=O)n2[nH]1,CID666383,,,,0.0,,,,,,,,0.0,,,,,
CCc1ccc(O)c(N/C=C2\C=CC=CC2=O)c1,CID5339634,,,,,,,,0.0,,0.0,,,,,,,
COC(=O)C(O)(c1ccc(N/C=C2\C=CC=CC2=O)c(C)c1)C(F)(F)F,CID5909652,,,,,,,,,,,,,,0.0,,,
CCOC1=CC=C/C(=C\Nc2cc(C)cc(C)c2O)C1=O,CID5333000,,0.0,,,,,,,,,,,,,,,
Cc1ccc(N/C=C2\C=CC=C(O)C2=O)c(C)c1,CID5720124,,0.0,,,,,,,,,,,,,,0.0,0.0
CCS(=O)(=O)N1CCN(C(=O)CCC2CCCC2)CC1,CID719638,,,0.0,0.0,,,,,,,,,0.0,,,,
CS(=O)(=O)N1CCN(C(=O)CCC2CCCC2)CC1,CID806859,,,,,,0.0,,,,,,,,,0.0,,
CC(C)CC(=O)N1CCN(C(=O)CCC2CCCC2)CC1,CID776717,,,,0.0,,0.0,,0.0,,,,,0.0,0.0,,,
CCCS(=O)(=O)N1CCN(C(=O)CCC2CCCC2)CC1,CID719651,,,,0.0,,,,0.0,,,,0.0,,,,,0.0
COc1ccccc1N/C(C)=C1\C(=O)CSC1=O,CID5310668,,,,,,0.0,,0.0,,,,,,,,,
COc1ccc(N/C(C)=C2\C(=O)CSC2=O)cc1,CID788517,,,,,,0.0,,,,,,,,0.0,,,
C/C(Nc1ccccc1C)=C1/C(=O)CSC1=O,CID788512,,,,,,,,,,,,,,,0.0,,
C/C(Nc1ccc(C)c(C)c1)=C1/C(=O)CSC1=O,CID788538,,,,0.0,0.0,,,,,,,,,,,,
Cc1[nH]c(=O)[nH]c(=O)c1CSc1nnc(C(NC(=O)OC(C)(C)C)C(C)C)o1,CID662707,,,0.0,,0.0,,,0.0,,,0.0,,,,,,
CCC(C)C(NC(=O)OC(C)(C)C)c1nnc(SCc2c(C)[nH]c(=O)[nH]c2=O)o1,CID9551778,,,,,,,,,,,,,,,0.0,,
Cc1[nH]c(=O)[nH]c(=O)c1CSc1nnc(C(CC(C)C)NC(=O)OC(C)(C)C)o1,CID662861,,,,,0.0,,,,,,,,,,,,
Cc1[nH]c(=O)[nH]c(=O)c1CSc1nnc(CCCCCNC(=O)OC(C)(C)C)o1,CID662603,,,,,0.0,,,,,,,,,,,,
Cc1ccc(Cn2c(Sc3nccc(C)n3)nc3c2c(=O)[nH]c(=O)n3C)cc1,CID650555,,0.0,0.0,,0.0,,,,,,,,,,0.0,,
Cn1c(=O)c2c(nc(Sc3ncccn3)n2Cc2ccccc2Cl)n(C)c1=O,CID3160420,,,,,,,,,,,0.0,,,,,,
Cc1ccc(Cn2c(Sc3ncccn3)nc3c2c(=O)[nH]c(=O)n3C)cc1,CID651265,,0.0,,,0.0,,,,,,0.0,,,,0.0,0.0,
Cn1c(=O)c2c(nc(Sc3ncccn3)n2Cc2ccc(Cl)cc2)n(C)c1=O,CID1092002,,0.0,,0.0,0.0,,,,,,,0.0,,,,,0.0
O=C(CSc1nnc(CNc2ccccc2)o1)N1CCCc2ccccc21,CID650558,0.0,0.0,,,0.0,0.0,0.0,0.0,,,0.0,,,,,0.0,0.0
O=C(CSc1nnc(CNc2ccc(F)cc2)o1)N1CCCc2ccccc21,CID650694,0.0,0.0,0.0,,0.0,0.0,,,,0.0,,,0.0,,0.0,0.0,
Cc1ccc(NCc2nnc(SCC(=O)N3CCCc4ccccc43)o2)c(C)c1,CID648064,0.0,,0.0,0.0,,,0.0,0.0,,,,,,,,0.0,
COc1ccc(NCc2nnc(SCC(=O)N3CCCc4ccccc43)o2)cc1,CID648875,0.0,0.0,0.0,,0.0,0.0,0.0,0.0,,,,,,,,0.0,0.0
CCOc1ccc2c(c1)c1nnc(SCC(=O)N3CCCCC3C)nc1n2C,CID648093,,0.0,,0.0,0.0,0.0,,0.0,,,0.0,,,,,,
COc1ccc2c(c1)c1nnc(SCC(=O)N3C(C)CCCC3C)nc1n2C,CID651823,,,,0.0,,,,,,,,,,,,,
COc1ccc2c(c1)c1nnc(SCC(=O)N3CCCCC3C)nc1n2C,CID653644,,,0.0,,0.0,,,,,,,,0.0,,,,
CCOc1ccc2c(c1)c1nnc(SCC(=O)N3CCC(C)CC3)nc1n2C,CID646257,,,,,0.0,,,0.0,,,,,,,,,
Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)CC2)c1,CID3241269,,,0.0,,0.0,,0.0,0.0,,,,,0.0,0.0,,0.0,
Cc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)n(C)c(=O)c(=O)n4C)CC2C)c1,CID3244269,,,,,,0.0,,,,0.0,0.0,,,,,,
Cn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc21,CID3236898,0.0,,,,0.0,,,,,,,,,,,,
O=c1[nH]c2ccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)cc2[nH]c1=O,CID3566863,,,,,,0.0,,,,,,,,,,,
CCOc1ccc2nc(COC(=O)c3ccco3)c(C(C)=O)[n+]([O-])c2c1,CID665276,,,0.0,0.0,,,,0.0,,,,,,,,,
CCOC(=O)c1c(COC(=O)c2ccco2)nc2ccccc2[n+]1[O-],CID665189,,,0.0,,,,0.0,0.0,,,0.0,,,,0.0,,
CC(=O)c1c(COC(=O)c2ccco2)nc2ccccc2[n+]1[O-],CID665071,,,,,,,,0.0,,,,,0.0,,,,
COc1ccc2nc(COC(=O)c3ccco3)c(C(C)=O)[n+]([O-])c2c1,CID664947,,,0.0,,,,,,,,0.0,,0.0,,,,
CC1=CC2=c3ccccc3=NC(c3ccc4c(c3)OCO4)N2N1,CID5769584,,0.0,,,,,,,,,,,,,,,
CC1=CC2=c3cc(C)cc(C)c3=NC(c3ccc4c(c3)OCO4)N2N1,CID5769638,,,,0.0,,,,,,,0.0,,,,,,
CC1=CC2=c3cccc(C)c3=NC(c3ccc4c(c3)OCO4)N2N1,CID5769668,,,0.0,,,,0.0,,,,,,,,,,
CC1=CC2=c3cc(C)ccc3=NC(c3ccc4c(c3)OCO4)N2N1,CID5769617,,,,,,,,0.0,,,,,,,,,
CC(C)(C)c1ccc(OCCNC(=O)c2ncn[nH]2)cc1,CID586912,,,,,,,,,,,,0.0,,,,,
CCc1cc(C)cc(OCCNC(=O)c2ncn[nH]2)c1,CID2228802,,0.0,,0.0,,,0.0,,,,,0.0,0.0,,0.0,0.0,
O=C(NCCOc1ccccc1)c1ncn[nH]1,CID2229845,,0.0,0.0,0.0,,,0.0,,0.0,,,0.0,0.0,0.0,0.0,,
Cc1cccc(OCCNC(=O)c2ncn[nH]2)c1,CID586998,,,,,,,0.0,0.0,0.0,0.0,,0.0,0.0,,0.0,,
COc1ccccc1OCC(=O)Nc1ccccc1C(=O)NCc1ccco1,CID1084172,,,,,,,,,,,,,,0.0,,,
O=C(COc1ccc(Cl)cc1)Nc1ccccc1C(=O)NCc1ccco1,CID1317725,0.0,,,0.0,,,0.0,0.0,,,,0.0,0.0,,,0.0,
Cc1cc(C)cc(OCC(=O)Nc2ccccc2C(=O)NCc2ccco2)c1,CID1290953,0.0,,0.0,0.0,,,,0.0,0.0,0.0,,,,,,,0.0
O=C(COc1ccccc1)Nc1ccccc1C(=O)NCc1ccco1,CID1843541,0.0,,0.0,0.0,,,,0.0,0.0,,0.0,0.0,,,,,
COc1ccc(-n2c(SCc3nnc(-c4ccccc4)o3)nnc2-c2ccccc2)cc1,CID2997546,0.0,,,,,,0.0,,,,,,,,,,
COc1ccc(-c2nnc(SCc3nnc(-c4ccc(Cl)cc4)o3)n2-c2ccccc2)cc1,CID2127267,,,0.0,,0.0,,,,,,0.0,,,,,,
COc1ccc(-c2nnc(SCc3nnc(-c4ccccc4)o3)n2-c2ccccc2)cc1,CID1277248,0.0,,,,,,0.0,,,,,,,,,,
CCOc1ccc(-c2nnc(SCc3nnc(-c4ccccc4)o3)n2-c2ccccc2F)cc1,CID2114311,0.0,,,,,,,,,,,,,,,,
O=C(CCC1COc2ccccc2O1)Nc1ccc(Cl)cn1,CID2965115,0.0,0.0,0.0,,,,,,,0.0,,,0.0,,,0.0,
O=C(CCC1COc2ccccc2O1)Nc1ncccc1O,CID2965120,0.0,0.0,,,0.0,,,0.0,,,,0.0,,,,,0.0
Cc1ccnc(NC(=O)CCC2COc3ccccc3O2)c1,CID2965126,,,,,0.0,,,,,0.0,,,0.0,,,,0.0
O=C(CCC1COc2ccccc2O1)Nc1ccccn1,CID2967055,,,0.0,,0.0,,0.0,0.0,,0.0,,,,,,,0.0
N#Cc1nc(COc2cccc(Cl)c2)oc1NCc1ccco1,CID5308444,0.0,0.0,,,,,,,,,,,,,,0.0,
N#Cc1nc(COc2ccccc2Cl)oc1NCc1ccco1,CID750996,,,,,,,,,,0.0,,,,0.0,0.0,,
COc1ccccc1OCc1nc(C#N)c(NCc2ccco2)o1,CID661465,0.0,0.0,0.0,0.0,,,0.0,0.0,,,,,0.0,,,,0.0
Cc1ccc(OCc2nc(C#N)c(NCc3ccco3)o2)cc1,CID649571,,,,,,,,,,,0.0,,0.0,,,,
O=C(CN1C(=O)CCC1=O)Nc1nc2ccc(Br)cc2s1,CID3820491,0.0,,,,,,,,,,,,,,,0.0,
COC(=O)c1ccc2nc(NC(=O)CN3C(=O)CCC3=O)sc2c1,CID671655,,,,,,,,,0.0,,,,,0.0,,,0.0
O=C(CN1C(=O)CCC1=O)Nc1nc2c(F)cc(F)cc2s1,CID5310189,,,,,,,,,,,,,0.0,,,,
Cc1ccc2sc(NC(=O)CN3C(=O)CCC3=O)nc2c1C,CID4658771,,0.0,,,,,,,,,,,,,0.0,,
CCOc1ccc(Oc2cc(C)nc(SC)n2)nn1,CID2938202,,,,,,,,,,,0.0,,,,,,
COc1ccc(Oc2cc(C)nc(Cl)n2)nn1,CID6323808,,,,,,,,,,,,,,0.0,,,
C=CCOc1ccc(Oc2cc(C)nc(SC)n2)nn1,CID2939118,,,,,,,,,0.0,,,,,,,,
COC(=O)COc1ccc(Oc2cc(C)nc(SC)n2)nn1,CID2940115,,0.0,0.0,,,,,,,,,,0.0,,,0.0,
CC(=O)c1c(C(C)=O)c(C)n(-c2nc(-c3ccccc3)c(C)s2)c1C,CID1277147,,,,,,,,,,0.0,,,,,,,
CC(=O)c1c(C(C)=O)c(C)n(-c2nc(-c3ccc(Br)cc3)c(C)s2)c1C,CID1288753,,,,,,,,,0.0,,0.0,,,,,,
COc1ccc(-c2nc(-n3c(C)c(C(C)=O)c(C(C)=O)c3C)sc2C)cc1OC,CID1285735,,,,,,0.0,,,,,0.0,,,0.0,,,
COc1ccc(-c2nc(-n3c(C)c(C(C)=O)c(C(C)=O)c3C)sc2C)cc1,CID1285736,,,,,,0.0,,,,0.0,,,,0.0,,,
COc1ccc(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)cc1,CID1016562,,,,0.0,,,0.0,0.0,0.0,,0.0,,0.0,,,,
COc1ccc(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)c(OC)c1,CID1080275,,,,,,,,,,0.0,,,,,,,
COc1ccc(NC(=O)C(C)N2c3cccc4cccc(c34)S2(=O)=O)cc1OC,CID2973325,,,,,,,,,,0.0,,,,,,,
COc1cc(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)cc(OC)c1OC,CID1259807,,,,,0.0,,,,,,,,0.0,,,0.0,
CCOC(=O)N1CCN(C(=O)CSc2nc3n(-c4ccc(C)cc4)[nH]cc-3c(=O)n2)CC1,CID3596009,,0.0,,0.0,,,,,,,,,,,,,
CCOC(=O)N1CCN(C(=O)CSc2nc3n(-c4ccccc4)[nH]cc-3c(=O)n2)CC1,CID5221237,,0.0,,0.0,,,0.0,,,,,,,,,0.0,
CCOC(=O)N1CCN(C(=O)CSc2nc3n(-c4ccc(Cl)cc4)[nH]cc-3c(=O)n2)CC1,CID4075942,0.0,,,,0.0,,,,,,,,,,,,
CC(=O)N1CCN(C(=O)CSc2nc3n(-c4ccccc4)[nH]cc-3c(=O)n2)CC1,CID2478108,,,,,,,,,,,0.0,,,,,,
CCOc1ccc(C2=Nn3c(nnc3-c3ccco3)SC2)cc1,CID3629419,,,,,,,,,,,,0.0,,0.0,,,
COc1ccc(C2=Nn3c(nnc3-c3ccco3)SC2)cc1OC,CID937381,,,,,,0.0,,,,,,,,,,,
COc1ccc(OC)c(C2=Nn3c(nnc3-c3ccco3)SC2)c1,CID662809,0.0,,,,0.0,0.0,,0.0,,,,,,0.0,,,
COc1ccc(C2=Nn3c(nnc3-c3ccco3)SC2)cc1,CID938394,,,,,,,,,,0.0,,,,0.0,,,
CC(=O)Cc1nsc(NC(=O)c2ccccc2)n1,CID866934,,0.0,,,,,0.0,0.0,,,0.0,0.0,0.0,,,0.0,
CC(=O)Cc1nsc(NC(=O)c2ccc(Cl)cc2Cl)n1,CID2107779,,,,,,,,,,,,,,,0.0,,
CC(=O)Cc1nsc(NC(=O)c2ccccc2Cl)n1,CID2134766,,,,,,,,,,,,,,,0.0,,
CC(=O)Cc1nsc(NC(=O)c2ccccc2F)n1,CID2134769,,,,,,,,,,,,,,,0.0,,
COc1ccc(N(CC(O)CN2C(=O)NC(C)(C)C2=O)S(=O)(=O)c2ccc(C)cc2)cc1,CID3133091,,,,,,0.0,,,,,,,,,,,
COc1ccc(N(CC(O)CN2C(=O)NC(C)(C)C2=O)S(=O)(=O)c2ccccc2)cc1,CID2884143,,,,,,,,,0.0,,,,,,,,
Cc1ccc(S(=O)(=O)N(CC(O)CN2C(=O)NC(C)(C)C2=O)c2ccccc2)cc1,CID3133124,,,,,,0.0,,,0.0,,0.0,,,,,,
COc1ccccc1N(CC(O)CN1C(=O)NC(C)(C)C1=O)S(=O)(=O)c1ccc(C)cc1,CID2884589,,0.0,0.0,,0.0,0.0,,,,,,,0.0,,,,0.0
CC(C)CC(NC=C1C(=O)OC(C)(C)OC1=O)C(=O)O,CID3242729,,,,,0.0,,,0.0,,0.0,,,,,,,
CC1(C)OC(=O)C(=CNC(CCC(N)=O)C(=O)O)C(=O)O1,CID3241218,,,,,0.0,,,,,,,,,0.0,,,
CSCCC(NC=C1C(=O)OC(C)(C)OC1=O)C(=O)O,CID3239353,,,,,,,0.0,,,,,,,,,,
CC1(C)OC(=O)C(=CNCC(=O)NCC(=O)O)C(=O)O1,CID665781,,,,,0.0,,,,,,,,,,,,
Cn1nnnc1SCc1ccc(C(=O)Nc2ccc(Br)cc2)cc1,CID980277,,,,,,,,,,,,0.0,,0.0,,,
Cn1nnnc1SCc1ccc(C(=O)Nc2ccccc2F)cc1,CID977269,,,,,,0.0,,,,,,,,,,,
Cc1cc(C)cc(NC(=O)c2ccc(CSc3nnnn3C)cc2)c1,CID980280,,,,,,,,,,,,0.0,,,,,
Cc1ccc(NC(=O)c2ccc(CSc3nnnn3C)cc2)cc1,CID851613,,,,,,0.0,,,,,,0.0,,0.0,,,
Cc1nnc2n(Cc3ccccc3)c(=O)c3c4c(sc3n12)COC(C)(C)C4,CID653704,0.0,,,,,,,0.0,,,0.0,,,,,0.0,
CC1(C)Cc2c(sc3c2c(=O)n(Cc2ccccc2)c2nncn32)CO1,CID653938,0.0,0.0,0.0,,,,,,0.0,,,,0.0,,,,
CC(C)C1Cc2c(sc3c2c(=O)n(Cc2ccccc2)c2nncn32)CO1,CID660230,0.0,0.0,,,,,,0.0,,,0.0,,,,,,
Cc1nnc2n(Cc3ccccc3)c(=O)c3c4c(sc3n12)COC(C(C)C)C4,CID660062,0.0,,0.0,,,,,,,,,,,,0.0,,
O=C(CSc1nnc(-c2ccccc2)n1Cc1ccco1)Nc1ccc2c(c1)OCCO2,CID2039337,0.0,,0.0,,0.0,0.0,,0.0,,,0.0,,,,,0.0,0.0
O=C(CSc1nnc(-c2ccccc2Cl)n1Cc1ccco1)Nc1ccc2c(c1)OCCO2,CID665317,0.0,,,0.0,0.0,,,,,,0.0,0.0,0.0,,,,
COc1cccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2Cc2ccco2)c1,CID665409,0.0,0.0,0.0,,0.0,,,,,,,,,,,0.0,
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)Nc1ccc2c(c1)OCCO2,CID2161776,0.0,0.0,,0.0,0.0,0.0,,,,,0.0,,0.0,,,,0.0
O=C(Nc1ccccc1)c1cc(S(=O)(=O)N2CCOCC2)cs1,CID1087720,,,,,,,,,,0.0,0.0,,,0.0,,,
O=C(Nc1ccccc1Cl)c1cc(S(=O)(=O)N2CCOCC2)cs1,CID1312252,,,,,,,,,0.0,,,,,0.0,,,
O=C(Nc1ccc(Cl)cc1)c1cc(S(=O)(=O)N2CCOCC2)cs1,CID1117949,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cs1,CID646420,,,0.0,,0.0,,,,0.0,,,,,0.0,,,
Cc1ccc2nc3n(c(=O)c2c1)CCC3,CID730195,,,,,,,,0.0,,,,,,0.0,,0.0,
CCOC(=O)C1CCc2nc3ccccc3c(=O)n21,CID2868572,,,0.0,0.0,,,,0.0,,0.0,,,0.0,,,,0.0
Nc1ccc2nc3n(c(=O)c2c1)CCC3,CID5136400,,,,,,0.0,,0.0,,,,,,0.0,,,
O=c1c2ccccc2nc2n1CCC2,CID68261,,,,0.0,,,,,,,,,,,,,
COC(=O)C1=C(C)NC(=O)C1(Nc1ccc(Cl)cn1)C(F)(F)F,CID2962151,,,,,,,,,0.0,,,,,0.0,,,0.0
CC1=C(C#N)C(Nc2cc(C)ccn2)(C(F)(F)F)C(=O)N1,CID3418522,,,,,,,,,0.0,,,,,,,,
CC1=C(C#N)C(Nc2ccc(C)cn2)(C(F)(F)F)C(=O)N1,CID2962127,,,,,,,,,0.0,,,,,,,,
CC1=C(C#N)C(Nc2cccc(C)n2)(C(F)(F)F)C(=O)N1,CID3240931,0.0,,,,,,0.0,,0.0,,,,,,,,0.0
Cc1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4cccc5nsnc45)CC3)CC2C)cc1,CID3244625,,,,0.0,,,0.0,,,,0.0,,,,,,
Cc1ccc(C)c(N2CCN(C(=O)C3CCN(S(=O)(=O)c4cccc5nsnc45)CC3)CC2)c1,CID3243980,,,0.0,,,0.0,0.0,,,,,,,,,0.0,0.0
Cc1cccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4cccc5nsnc45)CC3)CC2C)c1,CID3244109,,,0.0,,,,,,,,,,0.0,,,,
O=C(C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1)N1CCN(c2ccccc2F)CC1,CID3241718,,0.0,,,0.0,0.0,,,,,,,0.0,,,,
COc1ccccc1C(=O)Oc1ccc(N2C(=O)CCC2=O)cc1,CID770963,,0.0,,,,,,0.0,,,,,,,,,
COc1cccc(C(=O)Oc2ccc(N3C(=O)CCC3=O)c(C)c2)c1,CID972962,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C(=O)Oc2ccc(N3C(=O)CCC3=O)c(C)c2)cc1,CID972479,,,,,,,,,,,,,,0.0,0.0,,
O=C(Oc1ccc(N2C(=O)CCC2=O)cc1)c1ccccc1,CID795272,,,,,,,,,,,,,,0.0,0.0,,
CCOc1ccc(CCNC(=O)C2CCCN(c3nn4c(=O)cc(C)nc4s3)C2)cc1,CID3235726,,,,0.0,,,,0.0,,,,,,,,0.0,
Cc1cc(=O)n2nc(N3CCCC(C(=O)NCCc4ccccc4)C3)sc2n1,CID3242121,,,,,,,,,,,0.0,,,,,0.0,
COc1ccc(CCNC(=O)C2CCCN(c3nn4c(=O)cc(C)nc4s3)C2)cc1OC,CID3243700,,,,,,,,,,,,,,,,0.0,
CCOc1ccc(CCNC(=O)C2CCCN(c3nn4c(=O)cc(C)nc4s3)C2)cc1OCC,CID3240814,,,,,,,0.0,0.0,,,,,,,,0.0,
CC1CCN(C(=O)C2CC(c3ccc(F)cc3)=NO2)CC1,CID3235728,,0.0,,0.0,,,,0.0,,,,,,,,,
CCC1CCCCN1C(=O)C1CC(c2cc(Cl)c(OC)cc2OC)=NO1,CID2975050,,,,,0.0,,,,,,,,,,,0.0,
CC1CCCC(C)N1C(=O)C1CC(c2ccc(F)cc2)=NO1,CID3236925,,,,,,0.0,,,,,,,,,,,
CC1CCCCN1C(=O)C1CC(c2ccc(F)cc2)=NO1,CID3238468,,,0.0,0.0,,,,0.0,,,,0.0,0.0,,,,
COc1ccc(N2CC(C)(C)C2=O)cc1,CID3747720,,,,,,,,,,,,,,,0.0,,
Cc1c(Cl)cccc1N1CC(C)(C)C1=O,CID1475561,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)cc(N2CC(C)(C)C2=O)c1,CID1475569,,,,,,,,,,,,,,,0.0,,
CC1(C)CN(c2cccc(C#N)c2)C1=O,CID1475549,,,,,,,,,,,,,,,0.0,,
Cn1c(=O)c2c(nc(NCc3ccco3)n2Cc2ccccc2Cl)n(C)c1=O,CID660575,0.0,,,,,,0.0,,,,,,0.0,,,,
Cn1c(=O)c2c(nc(NCc3ccco3)n2Cc2ccc(Cl)cc2Cl)n(C)c1=O,CID657771,0.0,,,,,,,,,,,,0.0,,,,
COc1cccc(Cn2c(NCc3ccco3)nc3c2c(=O)n(C)c(=O)n3C)c1,CID657698,0.0,,,,,,,0.0,,,,,,,,,
COc1ccc(Cl)c(Cn2c(NCc3ccco3)nc3c2c(=O)n(C)c(=O)n3C)c1,CID1256402,0.0,,,,,,0.0,,,,,,0.0,,,,
Cc1ccc(C(=O)COC(=O)c2c(C)cc(=O)oc2C)cc1[N+](=O)[O-],CID701989,,,,,,,,,,,,,,,0.0,,
Cc1cc(=O)oc(C)c1C(=O)OCC(=O)c1ccc(Cl)cc1,CID739576,,,,,,,,,0.0,,,,,,,,
Cc1cc(=O)oc(C)c1C(=O)OCC(=O)c1ccc(Br)cc1,CID1115484,,,,,,,,,,,,,,,0.0,,
Cc1cc(=O)oc(C)c1C(=O)OCC(=O)c1ccccc1,CID683783,,,0.0,,,,0.0,0.0,0.0,,,,,0.0,,,
CCCOc1ccc(C2C(=O)N(C3CCCCC3)CC(=O)N2CCC)cc1OC,CID3243171,,,,,0.0,0.0,,,,,,,0.0,,,,
CCOCCCN1C(=O)CN(C2CCCCC2)C(=O)C1c1ccc(OCC)c(OC)c1,CID3244669,,,,,0.0,,,,,,,,,,,,
CCCOc1ccc(C2C(=O)N(C3CCCCC3)CC(=O)N2CCCOCC)cc1OC,CID3243992,,,0.0,,0.0,,,,,,,0.0,,,,,
CCOCCCN1C(=O)CN(C2CCCCC2)C(=O)C1c1ccc(OC)c(OC)c1,CID3242456,,,,,0.0,,,0.0,0.0,0.0,,,,,,0.0,
CCCc1cc(=O)nc(SCC(=O)c2cc(C)n(CCC)c2C)[nH]1,CID2569114,,,,,,,,,,,0.0,0.0,,,,,
CCCc1cc(=O)nc(SCC(=O)c2cc(C)n(C)c2C)[nH]1,CID2079464,,,,,,0.0,,,0.0,0.0,0.0,,,,,,
CCCc1cc(=O)nc(SCC(=O)c2cc(C)n(C(C)COC)c2C)[nH]1,CID3000010,,,,,,,,0.0,0.0,,,,,,,0.0,
CCCc1cc(=O)nc(SCC(=O)c2cc(C)n(CCOC)c2C)[nH]1,CID2569075,,,,0.0,,,0.0,0.0,0.0,,0.0,,,,,,
Cc1cccc(C)c1NC(=S)NC(=O)CCc1ccccc1,CID1258491,,,,,,0.0,,,,,,0.0,,,,,
O=C(CCc1ccccc1)NC(=S)Nc1ccccc1Br,CID2210189,,,,,,,,,,,,,,0.0,,,
Cc1cccc(NC(=S)NC(=O)CCc2ccccc2)c1,CID833601,,,,,,,,,,,,0.0,,,0.0,,
O=C(CCc1ccccc1)NC(=S)Nc1cccc(Br)c1,CID2226419,,,,,,,,,,,,,,0.0,,,
O=C(OCCCNC1=NS(=O)(=O)c2ccccc21)c1ccc(F)cc1,CID2175232,,,,,,,,,,0.0,,,,,0.0,,
Cc1ccccc1C(=O)OCCCNC1=NS(=O)(=O)c2ccccc21,CID1811174,,,,,,,,,0.0,,0.0,,,,,,
CN(C)S(=O)(=O)c1ccc(C(=O)OCCCNC2=NS(=O)(=O)c3ccccc32)cc1,CID4091023,,,,,0.0,0.0,,,,,,,,,,,0.0
O=C(OCCCNC1=NS(=O)(=O)c2ccccc21)c1ccccc1F,CID2274950,,,,,,0.0,,,,,0.0,0.0,,,,,
Cn1c(N2CCCCC2)nc2c1c(=O)n(Cc1cccc(Br)c1)c(=O)n2C,CID651123,,,,,,,0.0,,0.0,,,,,,,0.0,
Cn1c(N2CCC(C(N)=O)CC2)nc2c1c(=O)n(Cc1cccc(Br)c1)c(=O)n2C,CID662346,,,,,,,,,0.0,,,,,,,,0.0
Cn1c(N2CCC(C(N)=O)CC2)nc2c1c(=O)n(Cc1ccc(Br)cc1)c(=O)n2C,CID662802,0.0,,,,,,,,0.0,,,,,,,0.0,0.0
Cn1c(N2CCC(C(N)=O)CC2)nc2c1c(=O)n(Cc1ccc(Cl)cc1)c(=O)n2C,CID663309,0.0,,0.0,,,,,,,,,,,,,,
OCCNc1nc(-c2cccnc2)nc2ccccc12,CID1563686,,0.0,,,,0.0,,,,,,0.0,,,0.0,,
C=CCOc1nc(-c2cccnc2)nc2ccccc12,CID5341113,,,,,,0.0,,,,,,,,,,,
OCCSc1nc(-c2cccnc2)nc2ccccc12,CID2549726,,,,,,,,,,0.0,0.0,,0.0,,,,0.0
COC(=O)CNc1nc(-c2cccnc2)nc2ccccc12,CID659619,,0.0,0.0,0.0,,,0.0,,,,,,,0.0,0.0,,
Cc1cccc(-n2c(N)cc(=O)nc2SC(C)C(=O)NC2CCCCC2)c1,CID651009,,,0.0,0.0,0.0,0.0,0.0,,,,0.0,,0.0,,,0.0,
Cc1cccc(-n2c(N)cc(=O)nc2SCC(=O)NC2CCCCC2)c1,CID2171845,,,,,0.0,,0.0,,,,0.0,,,,,0.0,
Nc1cc(=O)nc(SCC(=O)NC2CCCCC2)n1-c1ccccc1,CID650346,,,0.0,,0.0,,,,,0.0,,,,,,,
O=C(CSc1nc(=O)cc(O)n1-c1ccccc1)NC1CCCCC1,CID1340551,,,,,,,,,,,0.0,,,,,,
CC1CCC2(CC1)Nc1ccccc1C(=O)N2c1ccccc1,CID702290,,,,,,0.0,,,,,0.0,,,,,,
COc1ccc(N2C(=O)c3ccccc3NC23CCCCC3)cc1,CID1916592,,,,,,,,0.0,,,,0.0,,,,,
O=C1c2ccccc2NC2(CCCCC2)N1c1ccc(O)cc1,CID686788,0.0,,,0.0,,,,0.0,,0.0,,,,,,,
COc1ccc(N2C(=O)c3ccccc3NC23CCC(C)CC3)cc1,CID2470285,,,,,,,,,,,,0.0,,,,,
CN(Cc1ccc(OC(F)F)cc1)C(=O)c1ccc2nccnc2c1,CID2538694,,,,,,,,,,,,,,,,,0.0
O=C(NCc1ccccc1)c1ccc2nccnc2c1,CID838817,,,,,,0.0,,,,0.0,,,,,,,
COc1ccc(CNC(=O)c2ccc3nccnc3c2)cc1,CID654229,,0.0,,,0.0,,,0.0,0.0,,,,,0.0,,,
COc1cccc(CN(C)C(=O)c2ccc3nccnc3c2)c1,CID2539011,,,,,,,,,0.0,,,,,,0.0,,
COc1ccc(NC(=O)C2CC(=O)OC2c2ccccc2)cc1,CID2925020,,,,,,,,,,,,,,,0.0,,
O=C1CC(C(=O)Nc2ccccc2C(=O)O)C(c2ccccc2)O1,CID3237281,,,,,,,0.0,,,,,,,,,,0.0
O=C1CC(C(=O)Nc2ccc(O)c(C(=O)O)c2)C(c2ccccc2)O1,CID2963060,,,,,0.0,,,0.0,,,,,,,,,0.0
COc1ccccc1NC(=O)C1CC(=O)OC1c1ccccc1,CID665406,,,,,,,,0.0,,,,,,,,,0.0
CCn1ccc(C(=O)Oc2ccc(Cl)cc2)n1,CID892993,,,,,,,,,,0.0,,,,0.0,,,
COC(=O)c1ccc(OC(=O)c2nn(C)cc2Cl)c(OC)c1,CID2173091,,0.0,,,,,,,,0.0,0.0,,,,,,
CCn1ccc(C(=O)Oc2ccc(C(C)C)cc2)n1,CID842020,,,,,0.0,,,0.0,0.0,,,,,0.0,,0.0,
CCc1ccc(OC(=O)c2ccn(CC)n2)cc1,CID3236836,0.0,,,,,,,0.0,0.0,,,,,,,0.0,
CSc1ncccc1C(=O)Nc1nc2c(C)cccc2s1,CID2484385,,,,,,,,,,,,,,0.0,,,
CN(C)S(=O)(=O)c1ccc2nc(NC(=O)c3cccnc3)sc2c1,CID1384156,,,,0.0,0.0,,,,,0.0,0.0,,0.0,,,0.0,0.0
CCNS(=O)(=O)c1ccc2nc(NC(=O)c3cccnc3)sc2c1,CID1188159,,0.0,,0.0,0.0,,0.0,,0.0,0.0,0.0,,0.0,,,,
CSc1ncccc1C(=O)Nc1nc2ccc(F)cc2s1,CID2486876,,,,,,,,,,,,,,0.0,,,
CC1(C)Cc2c(C#N)c(NCCCO)nc(-c3ccccc3)c2CO1,CID1623755,,0.0,,,,0.0,,0.0,,,,,0.0,,,,
CCN(CC)CCNc1nc(-c2ccccc2)c2c(c1C#N)CC(C)(C)OC2,CID1900094,,,,,,,,,0.0,,,,,,,,
CN(C)CCNc1nc(-c2ccccc2)c2c(c1C#N)CC(C)(C)OC2,CID1901064,,,,,,,,,0.0,,0.0,0.0,,,,,
COc1nc(-c2ccccc2)c2c(c1C#N)CC(C)(C)OC2,CID910578,,,,,,,,,,,,,,0.0,,,
CCOC(=O)Cc1nnc(NC(=O)CSc2nnc3c4ccccc4n(C(C)C)c3n2)s1,CID3239049,,,,,,,,,,,,,,,,,0.0
CCc1nnc(NC(=O)CSc2nnc3c4ccccc4n(C)c3n2)s1,CID650356,,0.0,,,0.0,,0.0,,0.0,,,,,,,0.0,
CCOC(=O)Cc1nnc(NC(=O)CSc2nnc3c4ccccc4n(C)c3n2)s1,CID2918375,,,,,,,0.0,,,,,,,,,0.0,0.0
CCOC(=O)Cc1nnc(NC(=O)C(CC)Sc2nnc3c4ccccc4n(C)c3n2)s1,CID2963030,,0.0,,,,,0.0,,,,,,,,,0.0,
O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)NNC(=O)c1cccnc1,CID1576477,,,,,,,,,,,,,,0.0,,,
Cc1ccc(/C=C2\SC(=S)N(CCC(=O)NNC(=O)c3cccnc3)C2=O)cc1,CID1924066,,,,,,,,,,,,,,0.0,,,
O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)NNC(=O)c1cccnc1,CID1382378,,,,,,,,,,,,,,0.0,,,
O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)NNC(=O)c1cccnc1,CID1382379,,,,,,,,,,,,,,0.0,,,
COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccn3)CC2)cc1C,CID1008125,,,,,0.0,,0.0,0.0,,,,,,,,0.0,0.0
COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccn3)CC2)cc1Cl,CID1008080,0.0,,0.0,,0.0,,,,0.0,,,0.0,0.0,,,,0.0
COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccn3)CC2)cc1OC,CID1088311,,,,,,,,,0.0,,,,,0.0,,,
O=C(NCc1ccccn1)C1CCN(S(=O)(=O)c2ccccc2)CC1,CID1084365,,,0.0,,,,,,,,,,,,,,
O=C(O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12,CID673730,,,,0.0,,,0.0,,0.0,,,,0.0,0.0,,,
CCCN(CCC)C(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12,CID1290458,,,,,,0.0,,,0.0,,,,,,,,
O=C(O)c1cc(-c2ccc3c(c2)OCO3)nc2ccc(Br)cc12,CID1002526,,,,,,,,,,,,,,,0.0,,
COC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12,CID898935,,,,,,0.0,0.0,,0.0,,0.0,,0.0,0.0,,,
COC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1ccsc1,CID2873211,,,0.0,0.0,0.0,,0.0,,,,,,,,0.0,,
COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1ccsc1,CID2872998,,,,,,,,,,,,0.0,,,,,
CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1ccsc1,CID2845069,,,0.0,0.0,0.0,,,0.0,,,,,,,,,
CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1ccsc1,CID2830980,,,,,,,,,,,0.0,,,,,,
Cc1ccc(-c2c(C#N)c(N)n(-c3ccc(C)cc3)c(=O)c2C#N)cc1,CID824821,,,,,,,,,,,,0.0,,,,,
Cc1ccc(-n2c(N)c(C#N)c(-c3ccccc3)c(C#N)c2=O)cc1,CID824820,,,,,,,,,,,,0.0,,,0.0,,
Cc1ccc(-n2c(N)c(C#N)c(-c3ccc(Cl)cc3)c(C#N)c2=O)cc1,CID1034641,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-c2c(C#N)c(N)n(-c3ccccc3)c(=O)c2C#N)cc1,CID824819,,,,,,,,,,,,0.0,,,,,
CCSc1nnc(NC(=O)CSc2ncccn2)s1,CID2928978,,,,,0.0,,,,0.0,,,,,,,,
CCSc1nnc(NC(=O)CSc2nc(C)cc(C)n2)s1,CID2059454,,,,,,,,,0.0,,,,,,,,
CCOC(=O)c1cnc(SCC(=O)Nc2nnc(CC)s2)nc1N,CID648958,,,,0.0,,,,,0.0,,,,,0.0,,,
CCOC(=O)Cc1nnc(NC(=O)C(CC)Sc2nc(C)cc(C)n2)s1,CID5134529,,,,,,,,,,0.0,,,,,,,
Cc1ccc(SCC(=O)Nc2ncc(C)s2)cc1,CID2194055,,,,,,0.0,,,,0.0,,,,0.0,,,
Cc1nc(NC(=O)CSc2ccccc2N)sc1C,CID651106,,,,,0.0,,0.0,,,0.0,,,,,,,
Cc1cnc(NC(=O)CSc2ccc(Cl)cc2)s1,CID2193996,,,,,,,,,0.0,,,,,,0.0,,
Cc1ccc(SCC(=O)Nc2nccs2)cc1,CID888720,,,,,,,,,,,,,,0.0,,,
CC1(C)CC2CC(C)(CN2C(=O)CN2C(=O)c3ccccc3C2=O)C1,CID2928835,,,,,0.0,,,0.0,,0.0,,,,0.0,,,0.0
CSCCC(C(=O)N1CC2(C)CC1CC(C)(C)C2)N1C(=O)c2ccccc2C1=O,CID9551773,,,,,,0.0,,,,,,,,,,,
CC(C(=O)N1CC2(C)CC1CC(C)(C)C2)N1C(=O)c2ccccc2C1=O,CID2928223,,,0.0,,0.0,,,0.0,,,,,,,,,
CCC(C(=O)N1CC2(C)CC1CC(C)(C)C2)N1C(=O)c2ccccc2C1=O,CID2930030,,,,,0.0,,0.0,0.0,,0.0,,,,,,,
COCCCn1c2nc3ccccc3nc2c2c(=O)n(CC3CCCO3)cnc21,CID661783,,0.0,0.0,,,0.0,,,,,,,,,,,
Cc1nc2c(c(=O)n1CC1CCCO1)c1nc3ccccc3nc1n2CC(C)C,CID661856,,0.0,0.0,,,,,,,,,,,,,,
CCCCCn1c2nc3ccccc3nc2c2c(=O)n(CC3CCCO3)c(C)nc21,CID662010,,,0.0,,,0.0,0.0,,,,,,,,,,
Cc1nc2c(c(=O)n1CC1CCCO1)c1nc3ccccc3nc1n2CCC(C)C,CID661973,,0.0,0.0,,,,,,,,,,,,,,
Cc1ccccc1OCC(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1,CID1372072,,,,,,0.0,,,,,,,,,,,
COc1ccc(OCC(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1,CID3143193,,,,,,0.0,,,,,,,,,,,
O=C(COc1ccccc1)Nc1cccc(-c2nc3ccccc3[nH]2)c1,CID808753,,,,,,,,,,,,,,0.0,,,
CC(Oc1ccccc1)C(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1,CID2867289,,,,,,0.0,,,,,,,,,,,
CCCS(=O)(=O)C(=C(Nc1ccc(OC)cc1)Nc1ccc(OC)cc1)S(=O)(=O)CCC,CID2297690,,,,,,,,,,,0.0,,,,,,
CCCS(=O)(=O)C(=C(Nc1ccc(CC)cc1)Nc1ccc(CC)cc1)S(=O)(=O)CCC,CID2297691,,,,,,0.0,,,,,,,,,,,
CCS(=O)(=O)C(=C(Nc1ccc(OC)cc1)Nc1ccc(OC)cc1)S(=O)(=O)CC,CID1100900,,,,,0.0,0.0,,,,,,,,,,,
CCCS(=O)(=O)C(=C(Nc1ccccc1)Nc1ccccc1)S(=O)(=O)CCC,CID2831541,,,,,,,,,,0.0,0.0,,,,,,
CC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2C1c1ccc(N(C)C)cc1,CID3243154,,,,,0.0,,0.0,,,,,,,,,,
COc1ccc(C2C(C(C)=O)=C(C)N=c3s/c(=C\c4ccc5c(c4)OCO5)c(=O)n32)cc1,CID3237632,,,,,,,,,,,0.0,,0.0,,,,
COc1ccc(C2C(C(C)=O)=C(C)N=c3s/c(=C\c4ccc5c(c4)OCO5)c(=O)n32)c(OC)c1,CID2885126,,0.0,,0.0,,,,,,0.0,,,,,,,
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2C1c1ccc(F)cc1,CID5349410,,,,,,0.0,,,,,,,,,,,
CC(C)COCC1CC2(CC(C)(c3csc(N)n3)OC2=O)C(=O)O1,CID2868359,,,,,,,,,,,,0.0,,,,,
CC(C)CCOCC1CC2(CC(C)(c3csc(N)n3)OC2=O)C(=O)O1,CID2868053,,0.0,,,,,,0.0,,,,,,,,,
C=CCNc1nc(C2(C)CC3(CC(C)(C)OC3=O)C(=O)O2)cs1,CID659495,,,,0.0,,,,0.0,0.0,,0.0,0.0,,,,,
C=CCNc1nc(C2(C)CC3(CC(C)OC3=O)C(=O)O2)cs1,CID2902543,,,,,,,,,,,,,0.0,,,,
Cc1ccc(Cn2c(SCC(=O)Nc3cc(C)on3)nc3ccccc3c2=O)cc1,CID2081892,0.0,,,0.0,,,,,,,,,,,,0.0,0.0
Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2C(C)c2ccccc2)no1,CID3257219,,,,,,0.0,,,,,,,,,,,
Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccccc2)no1,CID2557016,0.0,0.0,0.0,,,,0.0,,,0.0,0.0,,,0.0,,0.0,
Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(F)cc2)no1,CID2102674,0.0,0.0,,,,,,,,,,,0.0,,,,
O=C(c1ccc2c(c1)OCCO2)C1CCN(S(=O)(=O)c2ccccc2F)CC1,CID646345,,0.0,,0.0,,,,0.0,,0.0,,,,,,,
COc1ccc(S(=O)(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1,CID650342,,,,0.0,,,,,,,,0.0,,,,,
O=C(c1ccc2c(c1)OCCO2)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,CID645636,,,,,,,,,,0.0,,,,,,,
O=C(c1ccc2c(c1)OCCO2)C1CCN(S(=O)(=O)c2cccc(F)c2)CC1,CID653080,,,,,,0.0,0.0,,,,,,,,,,
Cc1ccc2c(c1)c1ncnc(N3CCN(c4ccccc4)CC3)c1n2C,CID665540,,0.0,,0.0,,,,,,0.0,,,,0.0,,,
COc1cccc(N2CCN(c3ncnc4c3[nH]c3ccccc34)CC2C)c1,CID659735,,,,,,,0.0,,,,,,,,,,
COc1cc2[nH]c3c(N4CCN(c5ccc(Cl)cc5)CC4)ncnc3c2cc1OC,CID663955,0.0,,,,,0.0,0.0,,,,,,0.0,,0.0,,
COc1cccc(N2CCN(c3ncnc4c3[nH]c3ccc(F)cc34)CC2C)c1,CID659940,,,,,,,0.0,,,,,,,,,,
Cc1ccc(C(c2nnnn2Cc2cccs2)N2CCN(C(=O)c3ccco3)CC2)cc1,CID648185,,,,0.0,,,,,,,0.0,,,,,0.0,
O=C(c1ccco1)N1CCN(C(c2ccccc2Cl)c2nnnn2Cc2cccs2)CC1,CID650508,,,,,0.0,,,,,,,,,,,,
O=C(c1ccco1)N1CCN(C(c2ccccc2F)c2nnnn2Cc2cccs2)CC1,CID656214,0.0,,,,,,,,,,0.0,,,,0.0,0.0,
O=C(c1ccco1)N1CCN(C(c2ccccc2)c2nnnn2Cc2cccs2)CC1,CID646537,0.0,,,,,,,,,,0.0,,,,,,
CC(C)c1cc(C(=O)NCc2cccnc2)no1,CID3238887,,0.0,0.0,,,,,,0.0,,,,,,0.0,,
Cc1cc(C(=O)NCc2cccnc2)no1,CID866431,,,,0.0,,,,0.0,0.0,,,,,,0.0,,
CCCc1cc(C(=O)NCc2cccnc2)no1,CID9550633,,,,,,0.0,,,,,,,,,,,
CC(C)Cc1cc(C(=O)NCc2cccnc2)no1,CID9550630,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)cc(N2C(=O)CC(n3nc(C)cc3C)C2=O)c1,CID5104249,,,,,,,,,,,,0.0,,,,,
Cc1cc(C)n(C2CC(=O)N(c3ccccc3)C2=O)n1,CID2835927,,,,,,,,,,0.0,,,,,,,
Cc1ccc(N2C(=O)CC(n3nc(C)cc3C)C2=O)cc1,CID2964663,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(N2C(=O)CC(n3nc(C)cc3C)C2=O)cc1,CID2964664,,,,,,,,0.0,,,,,,,,,
CC(C)(C)c1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1,CID2914275,,,,,,0.0,,,0.0,,,0.0,,,,,
Cc1ccc(C)c(S(=O)(=O)N2CC(=O)Nc3ccccc32)c1,CID798681,,,,0.0,,,0.0,,0.0,,0.0,0.0,,,,,
Cc1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1C,CID808139,,0.0,0.0,,,0.0,0.0,,0.0,,,0.0,,,,,0.0
CCc1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1,CID851173,,,,,,,,,0.0,,,0.0,,,,,
COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)cc1,CID5308110,,,0.0,,,,,,,,0.0,,,,,,0.0
O=C(NCc1ccccc1)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1,CID5309863,,0.0,,,,,,,,,0.0,,0.0,,,,
COc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)c1,CID5308709,,,,,,,,0.0,,,,,,,,,
COc1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1,CID5308867,,,0.0,,,0.0,,,,,0.0,,,,,,
Cc1ccc(Oc2ccc(-c3nc(N)nc(N)n3)cc2)cc1,CID745572,,,,,,,0.0,,,,0.0,,,,,0.0,
Cc1ccc(Oc2ccc(-c3nc(N)nc(N)n3)cc2)cc1C,CID2047338,,,,,,,,,,0.0,0.0,,,,,,
Nc1nc(N)nc(-c2ccc(Oc3ccccc3)cc2)n1,CID745052,,,,,,,,,,,,0.0,,,,,
Cc1ccccc1Oc1ccc(-c2nc(N)nc(N)n2)cc1,CID790865,,,,,,,,,,,0.0,,,,,,
Cc1cccc(-c2cc3nc4c(c(N5CCOCC5)n3n2)CCCC4)c1,CID645670,,0.0,,0.0,,,,,,,0.0,,,,0.0,,
Fc1ccc(-c2cc3nc4c(c(N5CCOCC5)n3n2)CCCC4)cc1,CID648686,,0.0,,0.0,,,,,,,,0.0,,,,,
Clc1cccc(-c2cc3nc4c(c(N5CCOCC5)n3n2)CCCC4)c1,CID649143,,,,,,,,,,,,,,,,,0.0
Fc1cccc(-c2cc3nc4c(c(N5CCOCC5)n3n2)CCCC4)c1,CID651023,,,,,,,,,,,,,,,,,0.0
CCn1nnnc1SCC(=O)NCc1ccco1,CID650676,,0.0,,0.0,,,,,,,,,0.0,,,,
CC(C)n1nnnc1SCC(=O)NCc1ccco1,CID654333,,0.0,,,,,,,,0.0,,0.0,0.0,,,,
CCCCn1nnnc1SCC(=O)NCc1ccco1,CID3212952,,,,,,,,,,0.0,,0.0,,,,,
Cn1nnnc1SCC(=O)NCc1ccco1,CID655043,,,,,,,,,,0.0,,0.0,,,,,
c1nc(N2CCCCC2)c2[nH]cnc2n1,CID3129049,,,,,,,,,,,,,0.0,,,,
OC1CCN(c2ncnc3nc[nH]c23)CC1,CID756700,,1.0,,1.0,,,,,,0.0,,,,,,,
CC1CCN(c2ncnc3nc[nH]c23)CC1,CID756692,,,,,,,,,,,,1.0,,0.0,,,
CCOC(=O)C1CCN(c2ncnc3nc[nH]c23)CC1,CID2155061,,,0.0,,,,0.0,,,,,,0.0,,,,
CCOC(=O)C1CCN(C(=O)CCc2c(C)nc3cc(-c4ccc(OC)cc4OC)nn3c2C)CC1,CID16188035,,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2cc3nc(C)c(CCC(=O)N4CCCCC4)c(C)n3n2)c(OC)c1,CID3244609,,,,,0.0,,,0.0,,,,,0.0,,,,
CCOC(=O)C1CCN(C(=O)CCc2c(C)nc3cc(-c4ccccc4)nn3c2C)CC1,CID9550751,,,,,,,,,,,,,,,0.0,,
CCOC(=O)C1CCCCN1C(=O)CCc1c(C)nc2cc(-c3ccccc3)nn2c1C,CID5309110,0.0,,0.0,,,,,,,,,,,,,0.0,
COc1ccc(-n2ncc3c(NCc4cccs4)ncnc32)cc1,CID866553,0.0,,,0.0,0.0,,,0.0,,,0.0,,,,,,
Cc1cccc(-n2ncc3c(NCc4cccs4)ncnc32)c1,CID892027,0.0,0.0,0.0,0.0,0.0,,,,,,0.0,,0.0,,,,
c1ccc(-n2ncc3c(NCc4cccs4)ncnc32)cc1,CID661383,,0.0,,,0.0,,,,,,,,,,,,
Clc1ccc(-n2ncc3c(NCc4cccs4)ncnc32)cc1,CID661224,0.0,0.0,0.0,,0.0,,,,,,0.0,,,,,,0.0
CC(C)C(OC(=O)c1cc2sccc2n1C)C(=O)NCC1CCCO1,CID653323,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,,,,,,
CC(OC(=O)c1cc2sccc2n1C)C(=O)NCC1CCCO1,CID645402,,,0.0,0.0,,,,,,,,,,,,,
Cn1c(C(=O)OCC(=O)NCC2CCCO2)cc2sccc21,CID648102,,0.0,,,,,0.0,0.0,,,,,,,,0.0,
CCC(OC(=O)c1cc2sccc2n1C)C(=O)NCC1CCCO1,CID651900,,,,,,0.0,,,,0.0,,,,,,,
Cc1ccc(/N=C2\CCCN2Cc2ccccc2)c(C#N)c1,CID788655,,,,,,,,,,,,,,,0.0,,
N#Cc1ccccc1/N=C1\CCCN1Cc1ccccc1,CID758406,,,,,,0.0,,,,,,,,,,0.0,
Cc1cc(C)c(/N=C2\CCCN2Cc2ccccc2)c(C#N)c1,CID561465,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccc(C)c(/N=C2\CCCN2Cc2ccccc2)c1C#N,CID563855,,,,,,,,,,,,,,,0.0,,
O=C(CN1C(=O)CCS(=O)(=O)c2ccccc21)NCc1ccc(F)cc1,CID3237529,,,,,,,0.0,,,0.0,,0.0,,,,,0.0
CC1(C)CC(=O)N(CC(=O)NCc2ccccc2)c2ccccc2S1(=O)=O,CID5309871,,,,,,,,0.0,,,,,,,0.0,,
CC1(C)CC(=O)N(CC(=O)NCc2ccc(F)cc2)c2ccccc2S1(=O)=O,CID5307935,,,0.0,0.0,,0.0,,,,,,,,,,,
O=C(CN1C(=O)CCS(=O)(=O)c2ccccc21)NCc1ccccc1,CID3239475,,,,,,,,,0.0,,0.0,,,,,,
CN(Cc1ccccc1)C(=O)c1cc2ccccc2o1,CID725694,,,,,,0.0,,,,,0.0,,,0.0,,,
CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)NCc3ccc(F)cc3)c(C)c2c1,CID3240160,,,,,,,,,,,,,,,,,0.0
O=C(NCc1ccccc1)c1cc2ccccc2o1,CID725659,,,,,,,,,0.0,0.0,0.0,,,,,,
Cc1cc2oc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)c(C)c2cc1C,CID1034156,,,,,,,,,,,,,,0.0,,,
Cc1ccc(CN2C(=O)CCC2C(=O)NCCCN2CCC(C)CC2)cc1,CID3244205,0.0,0.0,,,,,,,,,0.0,,,,,,
CCC1CCCCN1CCCNC(=O)C1CCC(=O)N1Cc1ccc(C)cc1,CID3238121,,,0.0,,,0.0,,0.0,,0.0,,,,,,,0.0
Cc1ccc(CN2C(=O)CCC2C(=O)NCCCN2CCCC(C)C2)cc1,CID3238815,,,,,,,,,,,,,,,,,0.0
Cc1ccc(CN2C(=O)CCC2C(=O)NCCCN2CCCCC2C)cc1,CID3242825,,,0.0,0.0,,,,,,,,,,,,,
CCCc1cc(=O)oc2cc(C)cc(OCc3nn[nH]n3)c12,CID664968,,,,,,,,0.0,,,,,0.0,,,,
CCCCc1cc(=O)oc2cc(C)cc(OCc3nn[nH]n3)c12,CID665397,,0.0,,,,0.0,,,0.0,,,,,0.0,,,
CCc1cc(=O)oc2cc(C)cc(OCc3nn[nH]n3)c12,CID665085,,,,,,0.0,,0.0,,,0.0,,0.0,,,,
COC(=O)Cc1c(C)c2c(OCc3nn[nH]n3)cc(C)cc2oc1=O,CID666700,,,0.0,,,,,0.0,,,,,,,0.0,,
CCOc1ccc2c(c1)c(C(C)=O)c(C)n2Cc1ccco1,CID931244,,,,,,,,,,,,,,,0.0,,
COC(=O)c1c(C)n(Cc2ccco2)c2ccc(O)cc12,CID705741,,,,,,,,,,,0.0,0.0,,,0.0,,
CCOC(=O)c1c(C)n(Cc2ccco2)c2ccc(O)cc12,CID2883813,,,,,,,0.0,,,0.0,,,,,,0.0,0.0
CCOC(=O)c1c(C)n(Cc2ccco2)c2ccc(OC)cc12,CID804969,,0.0,,,,0.0,0.0,,0.0,,,,,,,,
C=CCNc1nnc(C)c2ccccc12,CID6400919,,,0.0,,,,,0.0,,,,,,,,,
COc1nnc(OC)c2ccccc12,CID605292,,0.0,0.0,,,,,0.0,,,,,,,,,
CCOC(=O)CSc1nncc2ccc(OC)c(OC)c12,CID6400962,,,,,,0.0,,,,,0.0,,0.0,,,,
COCC(C)NC(=O)COc1nncc2ccccc12,CID6416719,,,,,,,,,,,,,,0.0,,,
COC(=O)c1nnc(-c2ccccc2)c(-c2ccccc2)n1,CID6400918,,,,,,,,,,,,,,,,0.0,
Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1,CID78268,0.0,,,,,,,,,,,0.0,,,,,
NNc1nnc(-c2ccccc2)c(-c2ccccc2)n1,CID601464,,,,,,0.0,,,,,,,,,,,
N#CCSc1nnc(-c2ccccc2)c(-c2ccccc2)n1,CID2870544,,,,0.0,,,0.0,,,,,,,,,0.0,
COC(=O)c1ccc2c(=O)n(CC3CCCO3)c(=S)[nH]c2c1,CID2976315,,,0.0,0.0,,,,0.0,,,,,,,0.0,0.0,
O=c1c2ccccc2[nH]c(=S)n1CC1CCCO1,CID2911557,,,,,,,,,,,0.0,,,,,,
CCOc1cc2[nH]c(=S)n(CC3CCCO3)c(=O)c2cc1OCC,CID3237189,,,,,,,0.0,0.0,,,,,,,,0.0,
COc1cc2[nH]c(=S)n(CC3CCCO3)c(=O)c2cc1OC,CID2974453,,,0.0,,,,0.0,,,,,,0.0,,,,
C=CCn1c(O)c(CN2CCCCC2)c(C)c(C#N)c1=O,CID1504760,,,,,,,,,,,,,,0.0,0.0,,
CCCn1c(O)c(CN2CCCC(C)C2)c(C)c(C#N)c1=O,CID656096,,,,,0.0,,,0.0,,0.0,,,,,,,
CCCn1c(O)c(CN2CCCCC2)c(C)c(C#N)c1=O,CID644571,,,,0.0,0.0,,,,0.0,,,,0.0,,0.0,,
Cc1c(CN2CCCCC2)c(O)n(CCCO)c(=O)c1C#N,CID650942,,,,,,,,,,,,,0.0,,,,
CCCN(C(=O)c1ccco1)c1nnc(-c2ccccc2C)s1,CID1444742,,,,,,,,,,,,,,0.0,,,
CCCCN(C(=O)c1ccco1)c1nnc(-c2cc(OC)c(OC)c(OC)c2)s1,CID650889,,,,,0.0,,,0.0,,,,,,,,,0.0
CCCN(C(=O)c1ccco1)c1nnc(-c2cccc(C)c2)s1,CID1444809,,,,,,,,,,,,,,0.0,,,
COCCN(C(=O)c1ccco1)c1nnc(-c2ccc(OC)c(OC)c2)s1,CID3212736,,,,,,,,,,,0.0,,,,,,
COc1ccccc1CNC(=O)COC(=O)Cc1ccsc1,CID2338176,,,,,,,,,,,,,,0.0,,,
O=C(COC(=O)Cc1ccsc1)NCc1ccccc1,CID2337887,,,,,,,,,,,,,,0.0,,,
COc1ccc(CNC(=O)COC(=O)Cc2ccsc2)cc1,CID2487512,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccc(CNC(=O)COC(=O)Cc2ccsc2)cc1,CID2369195,,,,,,,,,,,,,,0.0,0.0,,
O=C(Nc1nc2ccccc2s1)C1CCCO1,CID2998698,,,,0.0,,,,,,0.0,,,,,,,0.0
O=C(Nc1nc2ccc(F)cc2s1)C1CCCO1,CID5214311,,,,,,0.0,,,,,,,,,,,
Cc1cccc2sc(NC(=O)C3CCCO3)nc12,CID2963304,,,0.0,0.0,,,0.0,,,,0.0,,0.0,,,,
Cc1cc(C)c2nc(NC(=O)C3CCCO3)sc2c1,CID4877185,,,,,,,,,,0.0,,,,,,,
Cc1cccc2cc(CN(CC3CCCO3)C(=O)c3ccco3)c(=O)[nH]c12,CID644487,,,0.0,,0.0,,0.0,,,,,,0.0,,,,
O=C(c1ccco1)N(Cc1cc2ccccc2[nH]c1=O)CC1CCCO1,CID2988149,,,,,,0.0,,,0.0,0.0,0.0,,,,,,
Cc1ccc2cc(CN(CC3CCCO3)C(=O)c3ccco3)c(=O)[nH]c2c1C,CID646474,,,,,0.0,,,,0.0,,,,,,,0.0,
Cc1ccc2[nH]c(=O)c(CN(CC3CCCO3)C(=O)c3ccco3)cc2c1,CID649535,,0.0,0.0,,0.0,,,,0.0,,0.0,,,,,,
O=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)OCc1ccc(Cl)cc1,CID2238562,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1ccc(COC(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1,CID2224563,,,,,,,,,,,0.0,,,,,,
COC(=O)c1ccc(COC(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1,CID2228228,,,,,,0.0,,,,,0.0,,,,,,
O=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)OCc1ccc(Br)cc1,CID2235311,,,,,,,,,,,,0.0,,,,,
COc1nc(NCC(C)C)nc(Oc2ccc(=O)n(-c3ccccc3)n2)n1,CID3403514,,0.0,,0.0,,0.0,0.0,,,,,0.0,,,,,
CCNc1nc(OC)nc(Oc2ccc(=O)n(-c3ccccc3)n2)n1,CID649157,,0.0,0.0,,,,,,,,,,0.0,,,,
COc1nc(NC(C)(C)C)nc(Oc2ccc(=O)n(-c3ccccc3)n2)n1,CID662801,,0.0,,0.0,,,,,,0.0,,,,,,,
CC(C)Nc1nc(NC(C)(C)C)nc(Oc2ccc(=O)n(-c3ccccc3)n2)n1,CID1092650,,,,,,,,,,0.0,0.0,,,,,,
Cc1ccc(C)c(OCc2nnc(NC(=O)c3ccco3)s2)c1,CID659613,0.0,0.0,0.0,0.0,0.0,,,,,,,,,0.0,,0.0,
Cc1ccc(OCc2nnc(NC(=O)c3ccco3)s2)cc1,CID743519,,,,,,,,,,,0.0,,,,,,
Cc1ccc(OCc2nnc(NC(=O)c3ccco3)s2)c(C)c1,CID659708,0.0,,0.0,,0.0,,0.0,,,,0.0,,,0.0,,,
O=C(Nc1nnc(COc2ccccc2)s1)c1ccco1,CID665822,0.0,0.0,,,0.0,0.0,0.0,0.0,,,0.0,,0.0,,,,
COc1ccc(Nc2nc(N)nc(CSc3nnc(N)s3)n2)cc1,CID1635730,,,,,,,,,,,0.0,,,,0.0,,
COc1ccc(Nc2nc(N)nc(CSc3nnc(C)s3)n2)cc1,CID1611347,,,,,,,,,,,0.0,0.0,,,,,
Cc1nnc(SCc2nc(N)nc(Nc3ccccc3)n2)s1,CID1625297,,,,,,,,,,0.0,,0.0,,,,,
COc1ccccc1Nc1nc(N)nc(CSc2nnc(C)s2)n1,CID1635705,,0.0,,0.0,,,,,,,,,0.0,,,0.0,0.0
COc1ccc(Nc2ncc3c(n2)CC(c2ccccc2)CC3=O)cc1,CID664248,0.0,0.0,,,0.0,,,0.0,,,0.0,,,,,,
COc1ccc(C2CC(=O)c3cnc(Nc4cc(C)cc(C)c4)nc3C2)cc1,CID3427774,,,,,,0.0,,,,,,,,,,,
COc1ccc(Nc2ncc3c(n2)CC(c2ccc(OC)cc2)CC3=O)cc1,CID665684,0.0,,0.0,,0.0,,,,0.0,,0.0,,,,,,
CCc1ccc(Nc2ncc3c(n2)CC(c2ccc(OC)cc2)CC3=O)cc1,CID3601490,,,,,,,,,,,,0.0,,,,,
COc1ccc(NC(=O)CCN2CCCCCC2)cc1,CID740110,,,,,,,,,,0.0,,0.0,,0.0,,,
O=C(CCN1CCCCCC1)Nc1ccc(F)c(F)c1,CID739944,,,,0.0,,,,,,,,,0.0,,,,0.0
Cc1ccccc1NC(=O)CCN1CCCCCC1,CID772573,,,,,,,,,,0.0,,0.0,,,,0.0,
Cc1c(Cl)cccc1NC(=O)CCN1CCCCCC1,CID739907,,0.0,0.0,0.0,,,,,,,,,,,,,0.0
O=C(O)CCC(=O)Nc1ccc(C(=O)OC2CCCCC2)cc1,CID693062,,,,,,,0.0,,,,,0.0,,,,,
CC(C)(C)C(=O)Nc1ccc(C(=O)OC2CCCCC2)cc1,CID732542,,,,,,,,,,0.0,,0.0,,,,,
CN(C)CC1CCCCC1OC(=O)c1ccc(Cl)cc1,CID4067863,,,,,,,,,,,,,,0.0,0.0,,
CCN(CC)S(=O)(=O)c1ccc(C(=O)OC2CCCCC2CN(C)C)cc1,CID2997781,,,,,,,,,,,,0.0,,,,,
COc1ccccc1N1CCN(C(=O)CSc2nc3ccccc3[nH]2)CC1,CID2228811,,,,,,,,,,,0.0,,,,,,
CC(C)N(C(=O)Cn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nc2ccccc21)C(C)C,CID653039,0.0,,,,,,,,0.0,,,,,,,,
O=C(CSc1nc2ccccc2[nH]1)N1CCN(c2ccccc2)CC1,CID1152991,0.0,0.0,,,0.0,0.0,0.0,,,,0.0,,,,,0.0,
O=C(CSc1nc2ccccc2[nH]1)N1CCN(c2ccc(F)cc2)CC1,CID1307368,0.0,0.0,,,0.0,,,0.0,,0.0,,,0.0,,,0.0,
CCCc1nc2ccccc2c(=O)n1NC=C1C=CC(=O)C=C1,CID5389221,,,,,,,,,,,,,0.0,0.0,,,0.0
CCCc1nc2ccccc2c(=O)n1N/C=C1/C=CC(=O)C(O)=C1,CID5389225,,,,,,,0.0,1.0,,,,,,,,,
CCCc1nc2ccccc2c(=O)n1N/C=C1\C=CC(=O)C=C1O,CID5389233,,,,,,,0.0,,,,,,0.0,,,,
Cc1nc2ccccc2c(=O)n1NC=C1C=CC(=O)C=C1,CID5403466,,,,,,,0.0,,,,0.0,,0.0,,,,
CC1=N/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(Cl)cc1Cl,CID9550257,,,,,,,,,,0.0,,,,,,,
CC1=N/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N1c1cc(Cl)ccc1C,CID9550811,,,,,,1.0,,,,,,,,,,,
COc1ccc(/C=C2\N=C(C)N(c3ccc(C(=O)O)cc3)C2=O)cc1OC,CID2028187,,,,,,,,,,,,,,0.0,,,
CCN(CC)C1=N/C(=C\c2ccc(OC)cc2)C(=O)N1c1ccccc1,CID8185635,,,,,,,,,,,,,,0.0,,,
CCCCNC(=O)c1c(N)n(/N=C/c2cccnc2)c2nc3ccccc3nc12,CID661930,,,0.0,,,,,,,,,,,,,,
CCC(C)NC(=O)c1c(N)n(/N=C/c2cccnc2)c2nc3ccccc3nc12,CID662844,,,,,,,0.0,,,,,,,0.0,,,
COCCCNC(=O)c1c(N)n(/N=C/c2cccnc2)c2nc3ccccc3nc12,CID661940,,,0.0,,,,,,,,,,,,,0.0,
CC(C)CNC(=O)c1c(N)n(/N=C/c2cccnc2)c2nc3ccccc3nc12,CID661815,,,,,,,0.0,,,,,,,,,,
Cc1c(C(=O)Nc2ccc(OCc3ccccc3)cc2)cccc1[N+](=O)[O-],CID1379319,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1[N+](=O)[O-],CID1219371,,,,,,0.0,,,,,,,,0.0,,,
O=C(Nc1ccc(OCc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1,CID680346,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1[N+](=O)[O-],CID1379339,,,,,,0.0,,,,,,,,0.0,,,
CCCN(CCC)CCNc1c(N2CCN(C(=O)OCC)CC2)c(=O)c1=O,CID3240358,,,,,,,,,,,,,,0.0,,,
CCOC(=O)N1CCN(c2c(NCCCN(CC)CC)c(=O)c2=O)CC1,CID9550701,,,,,,,,,,,0.0,,,,,,
CCOC(=O)N1CCN(c2c(NCCCOC(C)C)c(=O)c2=O)CC1,CID5309961,,,0.0,,,,,,,,,,,,,,
CCCCN(CC)CCNc1c(N2CCN(C(=O)OCC)CC2)c(=O)c1=O,CID3235628,,,,0.0,,,,0.0,,,,,,,,,
CCCC(=O)N1CCN(c2ccc(NC(=O)c3cc4ccccc4o3)cc2Cl)CC1,CID2944643,,,,,,,,,,,,,0.0,,,0.0,0.0
CCC(=O)N1CCN(c2ccc(NC(=O)c3cc4ccccc4o3)cc2)CC1,CID1017667,,,,,,,,,0.0,0.0,0.0,0.0,,,,,
CCCC(=O)N1CCN(c2ccc(NC(=O)c3cc4ccccc4o3)cc2)CC1,CID2968266,0.0,,0.0,0.0,0.0,,,0.0,0.0,0.0,0.0,0.0,0.0,,,,0.0
CCC(=O)N1CCN(c2ccc(NC(=O)c3cc4ccccc4o3)cc2Cl)CC1,CID2238454,,,0.0,,,,,,,,,,0.0,,,,
CCCCSc1nnc(C2CCCN2C(=O)OC(C)(C)C)o1,CID665138,,,,,,,,0.0,,,,,0.0,,,,0.0
CC(C)Sc1nnc(C2CCCN2C(=O)OC(C)(C)C)o1,CID665335,,,,,,,0.0,0.0,,,,0.0,0.0,,,,0.0
CCSc1nnc(C2CCCN2C(=O)OC(C)(C)C)o1,CID665293,,,,0.0,,,,0.0,,0.0,,,,,0.0,,0.0
C=C(C)CSc1nnc(C2CCCN2C(=O)OC(C)(C)C)o1,CID665784,,,,,,,,0.0,,,,,,,,,
COC(=O)c1cc(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc(C(=O)OC)c1,CID12005070,,,,,,,,,,,,,,,0.0,,
Cc1ccc(S(=O)(=O)C2(C(=O)Nc3ccc(F)cc3)CC2)cc1,CID3240528,,,0.0,,,,,,,,0.0,0.0,,,,,0.0
Cc1ccc(S(=O)(=O)C2(C(=O)Nc3cccc(F)c3)CC2)cc1,CID4305803,,0.0,,,,,,0.0,,0.0,,,,,,0.0,
Cc1ccc(S(=O)(=O)C2(C(=O)Nc3ccc(Br)cc3)CC2)cc1,CID16194204,,,,,,,,,,,,,,0.0,,,
CC(C)C(OC(=O)c1ccco1)C(=O)NCc1ccccc1,CID647241,,,,,,,0.0,,,,,0.0,,,0.0,0.0,0.0
CCC(OC(=O)c1ccco1)C(=O)NCc1ccc(C)cc1,CID654469,,,,,,0.0,0.0,,,,,,0.0,,,0.0,0.0
Cc1ccc(CNC(=O)C(C)OC(=O)c2ccco2)cc1,CID655122,,,,0.0,,0.0,0.0,0.0,0.0,,,,0.0,,,0.0,
O=C(COC(=O)c1ccco1)NCc1ccccc1Cl,CID2430380,,,,,,,,,,,,,,0.0,,,
CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)cc1,CID1000682,,,,,,,,,,,,,,,0.0,,
COc1ccc(-c2cc(C(=O)Nc3ccccc3OC)c3ccccc3n2)cc1,CID1117405,,,,,,0.0,,,,,,,,,,,
COc1ccc(-c2cc(C(=O)Nc3ccccc3Cl)c3ccccc3n2)cc1,CID1117403,,,,,,0.0,,,,,,,,,,,
CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc23)cc1,CID1009542,,,,,,,,,,,,0.0,,,,,
CCN(CC)C(=O)c1sc(NC(=O)Cc2ccc(OC)cc2)c(C#N)c1C,CID1131085,,,,,,,,,,0.0,0.0,,,,,,
CCN(CC)C(=O)c1sc(NC(=O)Cc2ccccc2)c(C#N)c1C,CID1130825,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1cc(CC)sc1NC(=O)Cc1ccccc1,CID734088,,,,,,,,,,,0.0,,,0.0,,,
COc1cc(CC(=O)Nc2sccc2C(N)=O)cc(OC)c1OC,CID2091134,,,,,0.0,,0.0,,,,,,,,0.0,,
C=C(C)c1cccc(C(C)(C)NC(=O)N2CCOCC2)c1,CID2788460,,0.0,,,0.0,,,0.0,,0.0,,,,,,,0.0
C=C(C)c1cccc(C(C)(C)NC(=O)N2CC(C)OC(C)C2)c1,CID2883152,,,,,0.0,,,,,0.0,,,,,,,
COc1ccc(CNC(=O)N2CCOCC2)cc1,CID669628,,,,,,0.0,,,,,,,,,,,
COc1ccccc1CNC(=O)N1CCOCC1,CID669629,,,,,,0.0,,,,,,,,,,,
CCNc1nc(NCC)nc(OCCOC(=O)Nc2ccccc2)n1,CID1893879,,,,,,,,,,,,,,,0.0,,
CCNc1nc(NC(C)C)nc(OCCOC(=O)Nc2ccccc2)n1,CID1893860,,,,,,,,,,,,0.0,,,,,
CC(C)Nc1nc(NC(C)C)nc(OCCOC(=O)Nc2ccccc2)n1,CID1893643,,,,,,,,,,0.0,,,,0.0,,,
CN(C)c1nc(OCCOC(=O)Nc2ccc(Cl)cc2Cl)nc(N(C)C)n1,CID658358,0.0,,,,,,0.0,,,,,,,,,,
CCN1CCN(CC(=O)Nc2ccc(C)cc2C)C(=O)C1=O,CID5310330,,,,,,,,0.0,,,,,,,,,0.0
CCN1CCN(CC(=O)Nc2ccccc2)C(=O)C1=O,CID5310333,,,,,,,,0.0,,,,,,,,,
CCN1CCN(CC(=O)Nc2ccc(Cl)c(Cl)c2)C(=O)C1=O,CID5310159,,,,,,,,,,,,,,,,0.0,
CCN1CCN(CC(=O)Nc2cccc(C)c2C)C(=O)C1=O,CID5310388,,,,,,,,,,,,,0.0,,,,
CC(C)(Oc1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ncc(Cl)cc1Cl,CID2384813,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)cc(OCC(=O)OCC(=O)Nc2ccc(Cl)cn2)c1,CID2084706,,,,,,,,,,0.0,,,,,,,
COc1ccccc1OCC(=O)OCC(=O)Nc1ncc(Cl)cc1Cl,CID2385463,0.0,,,,,,,,,,,,,,,,
CCOc1ccccc1OCC(=O)OCC(=O)Nc1ncc(Cl)cc1Cl,CID2112324,0.0,,,,,,,,,,,,0.0,,,,
Cc1c(C(=O)Nc2ccc(Cl)cn2)oc2ccccc12,CID738360,0.0,0.0,0.0,0.0,,,0.0,,,,,0.0,,,,0.0,0.0
O=C(Nc1ccc(Cl)cn1)c1cc2ccccc2o1,CID673886,,,,0.0,,0.0,,0.0,,0.0,,,0.0,,,0.0,
Cc1c(C(=O)Nc2ccccn2)oc2ccccc12,CID1245473,,,,,0.0,,,,0.0,0.0,,,,,,0.0,0.0
O=C(Nc1ccccn1)c1cc2ccccc2o1,CID748350,,,,,,,,,,0.0,,0.0,,,,,
Cc1ccc(S(=O)c2ccc(C)cc2)cc1,CID15680,,,,,0.0,,,,,0.0,,0.0,0.0,,,,
CNC(=O)c1ccccc1S(=O)c1ccccc1C#N,CID3726662,,,,,,0.0,,,,,,,,,,,
CN(C)/C=C/C(=O)c1ccc(S(=O)c2ccccc2)cc1,CID1487177,,,,,,,,,,,,,,0.0,,,
CC(C)NC(=O)c1ccccc1S(=O)c1ccccc1C#N,CID1471308,,,,,,,,,,,,0.0,,,,,
COC(=O)c1oc2ccc(Br)cc2c1NC(=O)CCCN1C(=O)c2ccccc2C1=O,CID1262004,0.0,,,,,,0.0,,,,0.0,,,,,,0.0
CC(=O)c1oc2ccccc2c1NC(=O)CCCN1C(=O)c2ccccc2C1=O,CID1262882,,,,,,,,,,0.0,0.0,,,,,,
COC(=O)CCC(=O)c1oc2ccccc2c1NC(=O)CCCN1C(=O)c2ccccc2C1=O,CID1517765,,,,,,,,0.0,0.0,,,0.0,,,,,
COC(=O)CCC(=O)c1oc2ccc(Cl)cc2c1NC(=O)CCCN1C(=O)c2ccccc2C1=O,CID1265842,,,,,,,0.0,,,,,,,,,0.0,
CC(Nc1cc(=O)n(C)c(=O)n1C)c1ccccc1,CID2865923,,,,0.0,,,,,,,,,,,0.0,,
CC(Nc1cc(=O)n(C)c(=O)[nH]1)c1ccccc1,CID496045,,0.0,0.0,0.0,,,0.0,,0.0,,,,,,,,
Cn1c(NCc2ccccc2)cc(=O)n(C)c1=O,CID319814,,,,,,,,,0.0,,,0.0,,,,,
Cn1c(=O)cc(NCc2ccccc2)[nH]c1=O,CID256117,,0.0,,0.0,,,,0.0,,,,,,0.0,0.0,,
CC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc2ccccc12,CID4154944,0.0,0.0,,,,,,,,,,,,,,,
CC1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc3ccccc23)CC1,CID5074331,,,0.0,,,,,0.0,,,,,,,,,
CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc2ccccc12,CID5079112,,,,0.0,,,,,,,,,,,,,0.0
CC1CCCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc3ccccc23)C1,CID5310073,,0.0,,,,,,,,,,,,,,,
CC1CCC(C(=O)NC(C(=O)N2CCN(c3ccccn3)CC2)C(C)C)CC1,CID3240091,0.0,0.0,0.0,,,,,,,,0.0,,,,,,0.0
CSCCC(NC(=O)C1CCC(C)CC1)C(=O)N1CCN(c2ccccn2)CC1,CID3238328,,,0.0,,,,,,,,,,,,,,
CC(C)CC(NC(=O)C1CCCCC1)C(=O)N1CCN(c2ccccn2)CC1,CID9550400,,,,,,0.0,,,,,,,,,,,
CC(C)CC(NC(=O)C1CCC(C)CC1)C(=O)N1CCN(c2ccccn2)CC1,CID5309530,0.0,,,,,0.0,,0.0,,,,,,,,,
O=S(=O)(/C=C/c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1,CID2138975,,,,,,,,,,0.0,,,,,0.0,,
COc1ccc(N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cc1,CID1192954,,0.0,0.0,,,,0.0,,,,0.0,,,0.0,,,
COc1ccccc1N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1,CID1417541,,,,,,,,,,,,,,0.0,,,
O=S(=O)(/C=C/c1ccccc1)N1CCN(c2ccccc2)CC1,CID877216,,,,,,0.0,0.0,0.0,,,,,,,,,0.0
COc1ccc(/C=C2/C(=O)N=C3SCCN32)cc1,CID851054,,,,,,,,,,,,0.0,,,,,
O=C1N=C2SCCN2/C1=C\c1ccccc1Cl,CID851056,,,,,,,,,,,,,,0.0,,,
O=C1N=C2SCCN2/C1=C\c1c(Cl)cccc1Cl,CID851058,,,,,,,,,,,,0.0,,,,,
O=C1N=C2SCCN2/C1=C\c1ccc(Cl)cc1,CID1235692,,,,,,,,,,,,,,0.0,,,
CCSC(C)CC1C/C(=N\O)c2c(CC)noc2C1,CID2860604,,,,,,,,,,,0.0,,0.0,,,,
CCSC(C)CC1C/C(=N\O)c2c(C)noc2C1,CID2859845,,,,0.0,,,,,,,,,,,,,
CCCc1noc2c1/C(=N/O)CCC2,CID792903,,,,,,0.0,,,,,,,,,,,
CCCc1noc2c1/C(=N/O)CC(CC(C)SCC)C2,CID2860195,,,,,,,,,,,,,,,,0.0,
Cc1cc(C)n2c(SCc3ccc(C#N)cc3)nnc2n1,CID709415,,,0.0,,0.0,,,,,,,,,,,,
Cc1ccc(CSc2nnc3nc(C)cc(C)n23)cc1,CID2528019,,,,,,,,,,0.0,,,,,0.0,,
Cc1cc(C)n2c(SCc3ccccc3Cl)nnc2n1,CID712811,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)n2c(SCc3ccc(Cl)cc3Cl)nnc2n1,CID716715,,,,,,,,,,,0.0,,,,,,
O=C(Nc1ccc2c(c1)OCCO2)c1ccc(Br)o1,CID660176,0.0,,,,,,,,,,0.0,0.0,,,,,
O=C(Nc1cc2c(cc1Br)OCCO2)c1ccco1,CID852870,,,,,,,,,,,0.0,0.0,,,,,
O=C(Nc1ccc2c(c1)OCCO2)c1ccco1,CID732534,,,,,,,0.0,,,,,,,0.0,,0.0,
O=C(Nc1cc2c(cc1Cl)OCCO2)c1ccco1,CID852881,,,,,,,,,,0.0,,,,,,,
CNC(=O)C1C2C=CC3(O2)C1C(=O)N(CCOC)C3C(=O)NCc1ccc(OC)cc1,CID650143,,,,,,,,,,,,,0.0,,,,
C=CCN1C(=O)C2C(C(=O)NC)C3(C)C=CC2(O3)C1C(=O)NCc1ccc(OC)cc1,CID647268,,,0.0,,,,0.0,,,,,,0.0,,,,
C=CCN1C(=O)C2C(C(=O)NC)C3C=CC2(O3)C1C(=O)NCc1ccc(OC)cc1,CID653332,,,,,,,,,,,,,0.0,,,,0.0
C#CCN1C(=O)C2C(C(=O)NC)C3C=CC2(O3)C1C(=O)NCc1ccc(OC)cc1,CID651750,,,,,,,,,0.0,,,,,,,,
Cn1c(O)c(C(=O)c2ccccc2)c(=O)n(C)c1=O,CID910752,,,,,,,,,,,,,,0.0,,,
Cn1c(O)c(C(=O)c2ccccc2Cl)c(=O)n(C)c1=O,CID657843,,0.0,,,,,0.0,,,0.0,,,,,,,0.0
Cn1c(N)c(C(=O)c2ccccc2)c(=O)n(C)c1=O,CID322349,,,,,,,,,,,,,,,0.0,,
Cn1c(N)c(C(=O)c2ccc(C#N)cc2)c(=O)n(C)c1=O,CID2374298,,,,,,,,,,,,,,,0.0,,
O=C(Nc1cccc(C(=O)O)c1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1cccc(Br)c1,CID1771979,,,,,,,,,,,,,,0.0,,,
O=C(Nc1cccc(C(=O)O)c1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccc(Br)cc1,CID5729077,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccc(C(=O)O)cc1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccc(Br)cc1,CID16189250,,,,,,,,,,,,,,0.0,,,
O=C(Nc1ccc(C(=O)O)cc1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1,CID1352196,,,,,,,,,,,,,,0.0,,,
CCCn1c(CNC(=O)Cc2ccccc2)nc2ccccc21,CID3235642,,,,,0.0,,,,,,,,,,,0.0,
CC(NC(=O)Cc1ccccc1)c1nc2ccccc2[nH]1,CID3617076,,0.0,,,,,,,,0.0,,,,,,0.0,
O=C(Cc1ccccc1)NCc1nc2ccccc2[nH]1,CID1508996,,0.0,,0.0,,,,0.0,,,,0.0,,,,0.0,0.0
CCn1c(C(C)NC(=O)Cc2ccccc2)nc2ccccc21,CID3235605,,0.0,,,,,0.0,,,,,0.0,,,,0.0,
CC(Sc1nncn1C)C(=O)Nc1nnc(-c2ccccc2)s1,CID4087960,,,,,,,,,,,,,,0.0,,,
COc1ccc(OC)c(-c2nnc(NC(=O)C(C)Sc3nncn3C)s2)c1,CID5310323,,,,,,,,,,,,0.0,0.0,0.0,,,
CCC(Sc1nncn1C)C(=O)Nc1nnc(-c2ccccc2Cl)s1,CID4137647,,,,,,,0.0,,,,,,,,,,
CCC(Sc1nncn1C)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1,CID5243160,0.0,,,,,,,,,,,0.0,,,,,
Cc1ccc(-n2nnnc2SCC(=O)c2cc(C)n(-c3cc(C)on3)c2C)cc1,CID2997982,0.0,,,,0.0,,,,,,,,,,,0.0,
Cc1cc(-n2c(C)cc(C(=O)CSc3nnnn3-c3ccc(Cl)cc3)c2C)no1,CID2610472,,,,0.0,0.0,,,,,,0.0,,,,,,
Cc1cc(-n2c(C)cc(C(=O)CSc3nnnn3-c3ccccc3)c2C)no1,CID2621339,0.0,0.0,,,0.0,,,,,,0.0,,,0.0,,0.0,
Cc1ccc(-n2nnnc2SCC(=O)c2cc(C)n(-c3cc(C)on3)c2C)c(C)c1,CID2485756,0.0,0.0,,,0.0,,,,,0.0,0.0,,,,,0.0,
CC1CCCCN1C(=O)NC(Cc1ccccc1)C(=O)O,CID663469,,,0.0,,0.0,0.0,,,,0.0,,,,,,,0.0
CC1CCN(C(=O)NC(Cc2ccccc2)C(=O)O)CC1,CID664884,,,0.0,,0.0,0.0,,0.0,0.0,0.0,0.0,,0.0,,,,0.0
CCC1CCCCN1C(=O)NC(Cc1ccccc1)C(=O)O,CID663489,,,,,0.0,,,,,,,,,,,,0.0
COC(=O)C(Cc1ccccc1)NC(=O)N1CCCCC1C,CID663510,,,,,0.0,,0.0,,,0.0,,,0.0,,,0.0,
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccccn1,CID99955,,,,0.0,,0.0,,,0.0,,0.0,,,,,,
COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccccn1,CID714587,,,,0.0,,,0.0,0.0,,,,,,,,,
CCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OCC)C1c1ccccn1,CID674186,,,,,,,,,,,,,0.0,,,0.0,
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccn1,CID614258,,,0.0,,,,,,,,0.0,,,,,,
O=C(O)c1[nH]c2ccccc2c1-c1ccccc1,CID2763657,,,,,,,,,0.0,0.0,,,,,,,
CC/C(C)=N/NC(=O)c1[nH]c2ccc(C)cc2c1-c1ccccc1,CID873499,,,,,,,,,,,,,,,0.0,,
Cn1c(CO)c(-c2ccccc2)c2cc([N+](=O)[O-])ccc21,CID752812,,,,,,,,,,,,,,0.0,,,
Cc1ccc2[nH]c(C(=O)O)c(-c3ccccc3)c2c1,CID647749,,,0.0,,,,0.0,,0.0,,,,,,,,
Cc1cc(C)cc(N(CC(=O)NCC2CCCO2)C(=O)CCC(=O)Nc2cc(C)on2)c1,CID650999,,0.0,,,,,,0.0,,,,,0.0,,,,
Cc1cc(NC(=O)CCC(=O)N(CC(=O)NCC2CCCO2)c2ccccc2C)no1,CID3210823,,,,,,,,,,,0.0,,,,,,
CC(=O)c1cccc(N(CC(=O)NCC2CCCO2)C(=O)CCC(=O)Nc2cc(C)on2)c1,CID648712,,,,,,,,,,,,,0.0,,,,
Cc1cccc(N(CC(=O)NCC2CCCO2)C(=O)CCC(=O)Nc2cc(C)on2)c1,CID655380,,,,0.0,,,,,,,,,,,,,
CC(=O)N(CCc1ccccc1C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3,CID650998,0.0,,,,,,,,0.0,,,,0.0,0.0,,,
CCC(=O)N(CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3,CID3194310,,,,,,,,,,0.0,,,,,,,
CCC(=O)N(CCc1ccccc1C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3,CID654838,0.0,,,,,,,,0.0,,,0.0,0.0,,,,0.0
COc1ccc(CCN(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C(C)=O)cc1OC,CID653063,,,0.0,,,,,0.0,,0.0,,,,,,,
CSc1nc(-c2ccco2)nn1S(=O)(=O)c1ccc(Cl)cc1,CID1290352,,,,,,,,,0.0,,,,,,,,
Nc1nc(-c2ccco2)nn1S(=O)(=O)c1ccccc1,CID828596,,,,,,,,,,,,,,,0.0,,
CSc1nc(-c2ccco2)nn1S(=O)(=O)c1ccccc1,CID976676,0.0,0.0,,,0.0,,,,0.0,0.0,0.0,,,0.0,0.0,,
CSc1nc(-c2ccco2)nn1S(=O)(=O)c1ccc(C)cc1,CID828752,0.0,0.0,,0.0,0.0,,0.0,,0.0,0.0,0.0,,,,,,
CCc1ccc(S(=O)(=O)Nc2c(C)nn(C)c2C)cc1,CID895190,,,,,,,,,,0.0,,,,,,,
CCn1nc(C)c(NS(=O)(=O)c2ccccc2)c1C,CID1090946,,,,,,,,,,0.0,,,,,,,
Cc1ccc(S(=O)(=O)Nc2c(C)nn(C)c2C)cc1,CID1078661,,,,,,,,,,0.0,,,,,,,
Cc1nn(C)c(C)c1NS(=O)(=O)c1ccccc1,CID804168,,,,,,,,0.0,,,,,,,,0.0,0.0
CC1(C)Cc2ccccc2C(NCCCC(=O)O)=N1,CID594577,,,,,,,0.0,0.0,,,,,,,,,
COc1cc2c(cc1OC)C(NCCC(=O)O)=NC(C)(C)C2,CID625993,,,,,0.0,,,,,,,,,,,0.0,
COc1cc2c(cc1OC)C(CC#N)=NC(C)(C)C2,CID3607298,,,,,,0.0,,,,,,,,,,,
COc1cc2c(cc1O)C(SC)=NC(C)(C)C2,CID3237138,,,,,0.0,,0.0,,,,,0.0,,,,,
COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)Oc1ccccc1,CID1932187,,,,,,,,,0.0,,,0.0,,,,,
COC(=O)c1[nH]c2ccccc2c1NC(=O)Oc1ccccc1,CID660179,0.0,,,,,,0.0,,0.0,,0.0,0.0,,,,,
COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)Oc1ccccc1,CID947816,,,,,,0.0,,,0.0,,0.0,0.0,,,,,
COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)Oc1ccccc1,CID1934041,,,,,,,,,0.0,,,0.0,,,,,
O=C(O)c1cc2c(s1)-c1ccccc1OC2,CID2113888,,,,,,,0.0,,,,,,,,,,
CN(C)CCNC(=O)c1cc2c(s1)-c1ccccc1OC2,CID9550098,,,,,,0.0,,,,,,,,0.0,,,
COC(=O)c1cc2c(s1)-c1ccccc1OC2,CID3588737,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1cc2c(s1)-c1c(C)cccc1OC2,CID4054771,,,,,,,,,,,,,,0.0,,,
CCn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2c3c(sc21)COC(C)(C)C3,CID1868279,,,,,,,,,,,,,,,0.0,,
Cn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2c3c(sc21)COC(C)(C)C3,CID3844882,,,,,,0.0,,,,,,,,,,,
Cn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2c3c(sc21)COC(C)(C)C3,CID1869361,,,,,,,,,,0.0,,,,,0.0,,
Cn1c(=O)n(-c2ccccc2)c(=O)c2c3c(sc21)COC(C)(C)C3,CID658009,,,,0.0,,,0.0,0.0,0.0,0.0,,,,0.0,,,
CCCc1[nH]nc2c1C(c1ccc(OC(=O)c3ccco3)cc1)C(C#N)=C(N)O2,CID2908286,0.0,,,0.0,,,0.0,,0.0,,0.0,,,,,0.0,
Cc1[nH]nc2c1C(c1ccc(OC(=O)c3ccco3)cc1)C(C#N)=C(N)O2,CID565752,0.0,,0.0,,,,,0.0,,,0.0,,,,,,
CC(C)(C)c1[nH]nc2c1C(c1ccc(OC(=O)c3ccco3)cc1)C(C#N)=C(N)O2,CID3240319,,,0.0,,,,,,0.0,,,,,,,,0.0
CC(C)c1[nH]nc2c1C(c1ccc(OC(=O)c3ccco3)cc1)C(C#N)=C(N)O2,CID3243771,0.0,,,,,,,0.0,,,,,0.0,,,,0.0
COc1cc(C(=O)Nc2cccc3ncccc23)cc(OC)c1OC,CID935115,,,,0.0,0.0,,,,,,0.0,,0.0,,,0.0,0.0
CCOc1ccc(C(=O)Nc2cccc3ncccc23)cc1Br,CID1018024,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C(=O)Nc2cccc3ncccc23)cc1[N+](=O)[O-],CID952430,,,,,,,,,,,,,,0.0,,,
CCOc1cc(C(=O)Nc2cccc3ncccc23)cc(OCC)c1OCC,CID1018002,,,,,,,,,,,0.0,0.0,,,,,
O=C(NCc1cccnc1)C1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1,CID2981213,,,,,,,0.0,,0.0,,0.0,,,,,0.0,0.0
Cc1ccc(S(=O)(=O)N2CCCC(C(=O)NCc3cccnc3)C2)cc1Cl,CID651826,0.0,,0.0,0.0,0.0,,,,0.0,,,0.0,,,,,
O=C(NCc1cccnc1)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1,CID649951,0.0,0.0,,0.0,0.0,,,,0.0,,0.0,,,,,,0.0
O=C(NCc1cccnc1)C1CCCN(S(=O)(=O)c2ccccc2)C1,CID2974262,,0.0,,,,,,,,,,,,,,,
Cn1c(CNC(=O)Nc2cccc(Cl)c2)nnc1SCc1ccccc1,CID644954,0.0,0.0,,0.0,0.0,,,,,,0.0,0.0,0.0,0.0,,,0.0
Cn1c(CNC(=O)Nc2ccccc2Cl)nnc1SCc1ccccc1,CID645127,0.0,0.0,,,0.0,,,,,,0.0,0.0,,,,,
Cc1cc(C)cc(NC(=O)NCc2nnc(SCc3ccccc3)n2C)c1,CID651182,,,0.0,,,,0.0,,,,0.0,,0.0,,,0.0,
Cn1c(CNC(=O)Nc2ccccc2)nnc1SCc1ccccc1,CID650486,0.0,0.0,,,,,,0.0,,,0.0,,0.0,,,0.0,
CCN(CC)CCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2c1=O,CID5307488,,,0.0,,,,,,,,0.0,,,,,,
COCCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2c1=O,CID5307702,,,0.0,0.0,,,,,,,,,,,,0.0,
CCn1cc(C(=O)NCCCOC)c(=O)c2cc(S(=O)(=O)N(C)C3CCCCC3)ccc21,CID5307227,,,,,,,,,,,,,0.0,,,,
CCOCCCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2c1=O,CID5307162,,,,,,,0.0,,,,,,,,,,
O=S(=O)(c1ccc(Cl)cc1)N1CCCCC1c1cccnc1,CID2894141,,,,,,,,,,,,,,0.0,,,
COc1cc(C)c(C)cc1S(=O)(=O)N1CCCCC1c1cccnc1,CID2950120,,0.0,0.0,,,,0.0,,,0.0,,,,,,0.0,
CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2c2cccnc2)cc1,CID659759,,0.0,,0.0,,0.0,,,,,,,0.0,,,,
Nc1ccc(S(=O)(=O)N2CCCCC2c2cccnc2)cc1,CID2770922,,0.0,,0.0,0.0,,,,,,0.0,,,,0.0,,
COc1ccc(CC(=O)NCc2ccco2)cc1OC,CID720370,,,,,,,,,,0.0,,,,,,,
O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccco1,CID755257,,,,,,,,,,,,,,,0.0,,
CCCOc1ccc(CC(=O)NCc2ccco2)cc1OC,CID2239943,,,,,,,,0.0,,,0.0,,,,,0.0,
CCCOc1cc(CC(=O)NCc2ccco2)ccc1OC,CID2202438,,,,,,,,0.0,,,0.0,,0.0,,,0.0,0.0
O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccccc1F,CID875310,,,,,,0.0,,,,,,,,,,,
Cc1cccc(C)c1NC(=O)/C=C/c1ccc2c(c1)OCO2,CID875632,,,,,,0.0,,,,,,,,,,,
N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)Nc1ccc(O)cc1,CID2263078,,,,,,,,,,,,,,,0.0,,
CCN(C(=O)/C=C/c1ccc2c(c1)OCO2)c1ccccc1,CID884886,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)NCCSc2nnnn2-c2ccccc2)cc1,CID1610590,,,,,,,,,0.0,0.0,,,,,0.0,,
Cc1ccc(S(=O)(=O)NCCSc2nnnn2-c2cc(C)ccc2C)cc1,CID1814758,0.0,0.0,,0.0,0.0,,0.0,,,0.0,,,,,,,0.0
Cc1ccc(S(=O)(=O)NCCSc2nnnn2-c2ccc(C(N)=O)cc2)cc1,CID1987212,,1.0,0.0,,,,,,0.0,,,,0.0,,,,
Cc1ccc(-n2nnnc2SCCNS(=O)(=O)c2ccccc2)cc1C,CID2292548,0.0,,0.0,0.0,0.0,,,,0.0,0.0,,,,,,0.0,0.0
O=S(=O)(Cc1ccccc1)Nc1ccc(Br)cn1,CID878873,,,,,,,,,,,,,,0.0,,,
Cc1ccnc(NS(=O)(=O)Cc2ccccc2)c1,CID743631,,,,,,,,,,,0.0,0.0,,,,,
Cc1cccc(NS(=O)(=O)Cc2ccccc2)n1,CID798778,,,,,,,,,,0.0,0.0,0.0,,,,,
O=S(=O)(Cc1ccccc1Cl)Nc1ccccn1,CID973520,,,,,,,,,,0.0,,0.0,,0.0,,,0.0
Cc1ccc(-n2nc(C(=O)N3CCN(C)CC3)c3c4ccccc4n(C)c3c2=O)cc1,CID3242408,0.0,,,,,,,,,,,,,,,,0.0
CCN1CCN(C(=O)c2nn(-c3ccc(C)cc3)c(=O)c3c2c2ccccc2n3C)CC1,CID3239275,0.0,,,,,,,,,,,,,,,,0.0
CCOC(=O)N1CCN(C(=O)c2nn(-c3ccc(C)cc3)c(=O)c3c2c2ccccc2n3C)CC1,CID3239990,0.0,,,,,,,,,,,,,,,,
CCN1CCN(C(=O)c2nn(-c3ccc(OC)cc3)c(=O)c3c2c2ccccc2n3C)CC1,CID3235918,0.0,0.0,,0.0,,,,,,,,,,,,,
Cc1cccc(C(=O)OCc2cnc(Cl)s2)c1,CID1479747,,,,,,,,,,,,,,0.0,,,
Cc1cccc(C(=O)OCc2cncs2)c1,CID1488964,,,,,,,,,,,,,,0.0,0.0,,
O=C(OCc1cncs1)c1ccccc1Cl,CID1488965,,,,,,,,,,,,,,0.0,,,
O=C(OCc1cncs1)c1ccccc1,CID1488956,,,,,,,,,,,,,,,0.0,,
Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCc3cccs3)o2)cc1,CID9550967,,,,,,,,,,,,,,,0.0,,
COc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCc3cccs3)o2)cc1,CID5309515,,,,0.0,,,,,,0.0,,,0.0,,,,0.0
O=C(NCc1cccs1)c1ccc(CS(=O)(=O)c2ccc(Cl)cc2)o1,CID3628559,,,,,,0.0,,,,,,,,,,,
COc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCc2cccs2)o1,CID3239414,,,,,0.0,0.0,,,,0.0,0.0,,,,,,
CCCC(=O)C1=C(N2CCCC2)CC(CC(C)SCC)CC1=O,CID2834799,,,,0.0,,,,,,,,0.0,,,,,
CCC(=O)C1=C(N2CCCC2)CC(C)(C)CC1=O,CID2467223,,,,,,,,,0.0,0.0,,0.0,,,,,
CC1(C)CC(=O)C=C(N2CCCC2)C1,CID137903,,,,,,,,,,,,0.0,,,,,
CCCCC(=O)C1=C(N2CCCC2)CC(C)(C)CC1=O,CID5192558,,,,,,,,,,,,,,,0.0,,
OC(COc1ccccc1Cl)CN1CCN(CC(O)COc2ccccc2Cl)CC1,CID2885681,0.0,,,,,,,,,,,,,,,,0.0
Cc1ccc(OCC(O)CN2CCN(CC(O)COc3ccc(C)cc3Cl)CC2)c(Cl)c1,CID2911999,0.0,,,,,,,,,,,,,,,,
CC(=O)c1ccc(OCC(O)CN2CCN(CC(O)COc3ccc(C(C)=O)cc3)CC2)cc1,CID3144422,,,,,,,,,,,,0.0,,,,,
Cc1ccc(OCC(O)CN2CCN(CC(O)COc3ccc(C)cc3)CC2)cc1,CID648031,,,,,,,,,,,,,,,,,0.0
NC(=O)C1CCN(CC(=O)NCc2ccccc2)CC1,CID800724,,,,,,,,,,,,0.0,,,,,
CC(NC(=O)CN1CCC(C(N)=O)CC1)c1ccccc1,CID2999807,,,,,,,,0.0,,,,,,,,0.0,
Cc1ccc(CNC(=O)CN2CCC(C(N)=O)CC2)cc1,CID2106397,,,,,,,,,,,,,0.0,0.0,,0.0,
CC1CCN(CC(=O)NCc2ccccc2)CC1,CID972703,,,,0.0,,,,,,,,,,,,0.0,0.0
O=C(CSc1nnc(-c2ccccc2Cl)o1)Oc1ccc(Br)cc1,CID3127703,,,,,,,,,0.0,,,,,,,,
COc1cccc(OC(=O)CSc2nnc(-c3ccccc3Br)o2)c1,CID648313,0.0,,,,,,,,0.0,,0.0,0.0,,,,,0.0
O=C(CSc1nnc(-c2ccccc2)o1)Oc1ccc(Br)cc1,CID1132616,,,,,,,,,0.0,,,,,,,,
COc1ccc(-c2nnc(SCC(=O)Oc3ccc(C)cc3)o2)cc1,CID1128407,,,,,,,,,,0.0,,,,0.0,,,
COc1cccc(/C=C2/SC(=O)N(C)C2=O)c1OCc1ccc(C(=O)O)cc1,CID2171457,,,,,,,,,,,,,,,0.0,,
COc1cccc(/C=C2\SC(=O)NC2=O)c1OCc1ccc(C(=O)O)cc1,CID1233406,,,,,,,,,,,,,,,0.0,,
O=C1NC(=O)/C(=C/c2ccccc2OCc2ccccc2)S1,CID1205868,,,,,,,,,,,,,,0.0,,,
CN1C(=O)S/C(=C\c2ccccc2OCc2ccc(C(=O)O)cc2)C1=O,CID2275578,,,,,,,,,,,,,,0.0,0.0,,
O=C(CN1CCCCCC1)Nc1ccc(Br)cc1,CID2215441,,,,,,,,,0.0,,0.0,0.0,,,,,
O=C(CN1CCCCCC1)Nc1ccc(Br)cc1Br,CID2548695,,,,,,,,,,,,0.0,,,,,
Cc1ccc(NC(=O)CN2CCCCCC2)c(Br)c1,CID1300052,,,,,,,,,0.0,,0.0,,,,,,0.0
O=C(CN1CCCCCC1)Nc1ccc(F)c(F)c1F,CID2101664,,,,0.0,,,,,0.0,,,,,,,,0.0
Cc1cccc(OCC(=O)Nc2cc(C)on2)c1,CID835960,,,,,,,,,,0.0,,,,,,,
Cc1cc(NC(=O)COc2cccc(C)c2C)no1,CID4229735,,,,,,,,0.0,,,,,,,,,
Cc1ccc(C)c(OCC(=O)Nc2cc(C)on2)c1,CID836449,,0.0,,,,,,,,,0.0,,0.0,,,,0.0
CCC(Oc1ccccc1)C(=O)Nc1cc(C)on1,CID2932710,,,,0.0,,,,,,,,,,,,,
Cc1cccc(-c2cc3nc(-c4ccccc4)cc(N4CCC5(CC4)OCCO5)n3n2)c1,CID1441513,,,,,,,,,,,0.0,,,,,,
COc1ccc(-c2cc3nc(-c4ccccc4)cc(N4CCC5(CC4)OCCO5)n3n2)cc1,CID650554,0.0,,,,,0.0,,,,,,0.0,,,0.0,,0.0
COc1cccc(-c2cc3nc(-c4ccccc4)cc(N4CCC5(CC4)OCCO5)n3n2)c1,CID654068,,,0.0,,,0.0,,,,,,,0.0,,,,
Fc1cccc(-c2cc3nc(-c4ccccc4)cc(N4CCC5(CC4)OCCO5)n3n2)c1,CID1441544,,,,,,,,,,,,0.0,,,,,
Cc1nc2nc(=O)c3c(n2[nH]1)NC1=C(C(=O)CC(C)(C)C1)C3c1ccccc1,CID667200,,0.0,,,,,,0.0,,,,,,,,,
CCc1ccc(C2C3=C(CC(C)(C)CC3=O)Nc3c2c(=O)nc2nc(C)[nH]n32)cc1,CID666800,,,,0.0,,,,0.0,,,,,,,,,
Cc1nc2nc(=O)c3c(n2[nH]1)NC1=C(C(=O)CC(C)(C)C1)C3c1ccc(F)cc1,CID667374,,,,,,0.0,,,,,,,0.0,,,,
COc1ccc(C2C3=C(CC(C)(C)CC3=O)Nc3c2c(=O)nc2nc(C)[nH]n32)cc1,CID667296,,,,,,0.0,,0.0,,,,,,,,,
COc1ccc(OCC(=O)Nc2ccc3c(c2)nc(CCN2CCOCC2)n3C)cc1,CID667204,0.0,0.0,0.0,,,,,0.0,,,,0.0,,,,,0.0
Cc1ccc(OCC(=O)Nc2ccc3c(c2)nc(CCN2CCOCC2)n3C)cc1,CID666936,0.0,,,,,0.0,0.0,,0.0,,,,,,,,0.0
Cn1c(CCN2CCOCC2)nc2cc(NC(=O)COc3ccccc3)ccc21,CID667142,0.0,,0.0,,,,0.0,0.0,,,,,0.0,0.0,,,
Cn1c(CCN2CCOCC2)nc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21,CID666438,0.0,,0.0,,,0.0,,,,,,,0.0,,,,0.0
Cc1cccc(N(C(=O)CCC(=O)Nc2cc(C)on2)C(C(=O)NC2CCCC2)c2ccc(C)o2)c1,CID3210684,,,,,,,,,,,,,,,0.0,,
CCc1ccc(N(C(=O)CCC(=O)Nc2cc(C)on2)C(C(=O)NC2CCCC2)c2ccco2)cc1,CID3210685,,,,,,,,,,,,0.0,,,,,
CCc1ccccc1N(C(=O)CCC(=O)Nc1cc(C)on1)C(C(=O)NC1CCCC1)c1ccco1,CID647936,,,,,,,0.0,,,,,,0.0,,,,
Cc1ccc(C)c(N(C(=O)CCC(=O)Nc2cc(C)on2)C(C(=O)NC2CCCC2)c2ccco2)c1,CID648446,,,,,,,,0.0,,,0.0,0.0,0.0,,,,0.0
COc1ccc(-c2cc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)no2)cc1,CID3244821,0.0,,,,,0.0,,,,,0.0,,,,,,0.0
O=C(c1cc(-c2cccc(O)c2)on1)N1CCN(C(c2ccccc2)c2ccccc2)CC1,CID5309420,0.0,,,,,,,,,,,,,,,,
COc1ccc(-c2cc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)no2)cc1OC,CID3237858,0.0,,,,,0.0,,0.0,,,,,,,,0.0,
COc1cccc(-c2cc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)no2)c1,CID3241945,0.0,0.0,,,,0.0,,,,,0.0,,,,,,
O=C(c1ccco1)N1CCN(c2cc(=O)n(-c3ccc(Cl)cc3)c(=O)[nH]2)CC1,CID7080723,,,,,,,,,,0.0,,,,,,,
Cc1ccccc1-n1c(=O)cc(N2CCN(C(=O)c3ccco3)CC2)[nH]c1=O,CID5310020,,,,,,,,0.0,,,,,0.0,,,,0.0
Cc1ccc(-n2c(=O)cc(N3CCN(C(=O)c4ccco4)CC3)[nH]c2=O)cc1,CID5310461,,,,,,,,0.0,,,,,,,,,0.0
Cc1ccc(Cl)cc1-n1c(=O)cc(N2CCN(C(=O)c3ccco3)CC2)[nH]c1=O,CID3245461,,,,,,,,,,,,,,,,,0.0
Cc1[nH]c2ccccc2c1C(=O)CN1CCN(C(=O)c2ccco2)CC1,CID2016055,,,,,,,,,0.0,,,0.0,,,,,
COc1ccc2[nH]cc(C(=O)CN3CCN(C(=O)c4ccco4)CC3)c2c1,CID659815,0.0,,,0.0,,,,0.0,0.0,,,,,,,,
COc1ccc2[nH]c(C)c(C(=O)CN3CCN(C(=O)c4ccco4)CC3)c2c1,CID661710,0.0,,0.0,0.0,,,,,,,,0.0,,,,,
COc1ccc2c(c1)c(C(=O)CN1CCN(C(=O)c3ccco3)CC1)c(C)n2C,CID663674,0.0,,,,,,,,0.0,,,,,,0.0,,
CCCSc1nc(NCc2ccco2)c2c3c(sc2n1)COC(C)(CC)C3,CID4564042,,,,,,,,,,,,0.0,,,,,
CCCCSc1nc(NCc2ccco2)c2c3c(sc2n1)COC(C)(C)C3,CID1987154,,,,,,0.0,,,,,0.0,,,,,,
CC(C)Sc1nc(NCc2ccco2)c2c3c(sc2n1)COC(C)(C)C3,CID664795,,,,,0.0,,,,,0.0,0.0,,0.0,,0.0,,
CCCSc1nc(NCc2ccco2)c2c3c(sc2n1)COC(C)(C)C3,CID1964425,,,,,,0.0,,,,,,,,,,,
CCCC(c1nnnn1CS(=O)(=O)c1ccc(C)cc1)N1CCN(c2ccccc2)CC1,CID648693,0.0,0.0,0.0,,,,,,,,0.0,,,,,,
CCCC(c1nnnn1CS(=O)(=O)c1ccc(C)cc1)N1CCN(c2ccc(F)cc2)CC1,CID653331,0.0,,0.0,,,,,,,,0.0,,,,,,
Cc1ccc(S(=O)(=O)Cn2nnnc2C(CC(C)C)N2CCN(c3ccc(F)cc3)CC2)cc1,CID655223,0.0,,,,,,,,,,0.0,,,,,,
Cc1ccc(S(=O)(=O)Cn2nnnc2C(CC(C)C)N2CCN(c3ccccc3)CC2)cc1,CID3210440,,,,,,,,,,,0.0,,,,,,
CC(=O)N1CCc2[nH]c3ccccc3c2C1,CID648697,,0.0,,,,0.0,,0.0,,,,,,,,,
CCOC(=O)c1ccc2[nH]c3c(c2c1)CN(C)CC3,CID215970,,,,,,,0.0,,,0.0,,,,,,,
CCCC(=O)N1CCc2[nH]c3ccccc3c2C1,CID666793,,,,,,,0.0,,,,,0.0,,,,,
CN1CCc2[nH]c3ccc(C(=O)NN)cc3c2C1,CID218286,,,,,,,,,,,,0.0,,,0.0,,
CCC(=O)/N=c1\n(C)c2ccccc2n1CCOc1ccccc1,CID737590,,,,,,,,,,,,,,0.0,0.0,,
CCn1c(=N)n(CCOc2ccc(OC)cc2)c2ccccc21,CID659798,0.0,,,,0.0,,,,,0.0,,0.0,0.0,,,0.0,
CCCn1c(=N)n(CCOc2ccc(OC)cc2)c2ccccc21,CID659520,0.0,,0.0,,,,,,,,,,0.0,0.0,,0.0,
CC(=O)/N=c1\n(C)c2ccccc2n1CCOc1ccccc1,CID827999,,,,,,,,,,,,,,,0.0,,
COC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1cccs1,CID2859408,,,,,0.0,,0.0,0.0,,,,,,,,,
CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1cccs1,CID2859008,,,,0.0,0.0,,0.0,,,,,,,,,,
CC1=C(C(=O)OC(C)C)C(c2cccs2)C2=C(CCCC2=O)N1,CID2869648,,,,0.0,0.0,,,0.0,,,,,,,,,
CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1cccs1,CID651766,,,,0.0,0.0,,0.0,,,,,,,,,,
Nc1nc(CN2CCN(c3ccc(F)cc3)CC2)nc(N2CCCc3ccccc32)n1,CID666929,,,,,,,,,,,,,,,,0.0,
Nc1nc(CN2CCN(c3ccccc3)CC2)nc(N2CCCc3ccccc32)n1,CID667032,,,,,,,,,,,0.0,,,0.0,,,
COc1ccc(N2CCN(Cc3nc(N)nc(N4CCCc5ccccc54)n3)CC2)cc1,CID666108,,,0.0,,,,,,,,0.0,,,,,,
COc1cccc(N2CCN(Cc3nc(N)nc(N4CCCc5ccccc54)n3)CC2)c1,CID1500638,,,,,,,,,,0.0,0.0,,,,,,
NC(=O)CN1CCOCCN(CC(N)=O)CCOCC1,CID1354245,,,,,,,0.0,,,,,,,,,,
CCOC(=O)CCC(=O)N1CCOCCN(C(=O)CCC(=O)OCC)CCOCC1,CID660883,,,,,,,,,,,,,0.0,,,,
OCCN1CCOCCN(CCO)CCOCC1,CID576367,,,,,0.0,,,,,,,,,,,,
COC(=O)CCCC(=O)N1CCOCCN(C(=O)CCCC(=O)OC)CCOCC1,CID660688,,,,,,,,,,,,,0.0,,,,
Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1,CID1040364,,,,,,0.0,,,,,,,,,,,
Cc1cc(C)c(NC(=O)C(C)Sc2nnc(-c3ccco3)n2-c2ccccc2)c(C)c1,CID2876948,,,,,,0.0,,,,,,,,,,,
COc1ccc(OC)c(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)c1,CID2227841,0.0,,,0.0,0.0,,,,,,,0.0,,,,,
COc1ccc(OC)c(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccc(C(=O)O)cc2)c1,CID661698,,,0.0,,,,,,0.0,,,,,,,0.0,0.0
CCc1ccc(N2CC(C(=O)NCc3ccc(C)cc3)CC2=O)cc1,CID2890042,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(N2CC(C(=O)NCc3cccc(C)c3)CC2=O)cc1,CID591517,0.0,,0.0,0.0,,,0.0,0.0,0.0,,,,0.0,,,,
COc1ccccc1CNC(=O)C1CC(=O)N(c2ccc(C)c(C)c2)C1,CID2943275,0.0,,,0.0,,,,,,,,,0.0,,,,0.0
COc1ccc(N2CC(C(=O)NCc3ccccc3)CC2=O)cc1,CID2964408,,,,0.0,,,,0.0,0.0,,,,0.0,,,,
Cc1ccc(C2(C)NC(=O)N(CC(=O)Nc3cc(C)on3)C2=O)cc1,CID4567042,,,,,,0.0,,,,,,,,,,,
Cc1cc(NC(=O)CN2C(=O)NC(C)(c3ccccc3)C2=O)no1,CID5222360,,,,,,,,,,,,,,,0.0,,
Cc1cc(NC(=O)CN2C(=O)NC(C)(c3ccc(OC(F)F)cc3)C2=O)no1,CID4005784,,,,,,,,,,,,0.0,,,,,
COc1ccc(C2(C)NC(=O)N(CC(=O)Nc3cc(C)on3)C2=O)cc1OC,CID2998076,,,,,,,,0.0,,,,,,,,,
O=C(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccco1,CID3242306,,0.0,0.0,,,0.0,,0.0,,,,0.0,,,,,
COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1ccc(Br)o1,CID3242921,,,,,,,,,,,,,,,,0.0,0.0
Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1ccc(Br)o1,CID3239252,,,,,,,,,0.0,,0.0,0.0,,,,0.0,0.0
O=C(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccc(Br)o1,CID3241738,,,,,,,,,,,,0.0,,,,0.0,0.0
Cc1csc(SC(C)C(=O)Nc2ccc(Cl)cn2)n1,CID9551914,,,,,,,,,,,,0.0,,,,,
CC(C)(C)c1csc(SCC(=O)Nc2ccc(Cl)cn2)n1,CID1235822,,,,,,,,,0.0,,,,,0.0,,,
Cc1csc(SCC(=O)Nc2ccc(Cl)cn2)n1,CID2125057,,,,0.0,,,,,0.0,,,,0.0,,,,
Cc1csc(SCC(=O)Nc2ccccn2)n1,CID2224656,0.0,0.0,,0.0,0.0,,,,0.0,0.0,,,,0.0,0.0,,
COc1ccc(C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1OC,CID1112348,0.0,,,,,,,,,,,,,,,,0.0
COc1cc(C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc(OC)c1OC,CID1242767,0.0,,,0.0,,0.0,0.0,,,,,,,0.0,,,
COc1ccc(-c2oc(NC(=O)c3ccc(C)cc3)c(C#N)c2-c2ccc(OC)cc2)cc1,CID2392599,,,,,,,,,,0.0,,,,0.0,,,
COc1ccc(C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1,CID1204057,,,,,,0.0,,,,,0.0,,,0.0,,,
COc1ccc(NC(=O)c2c(NC(=O)CNCc3ccco3)sc3c2CCC3)cc1,CID1328344,,,,,0.0,,,,,,0.0,,,,,,
CCOc1ccccc1NC(=O)c1c(NC(=O)CNCc2ccco2)sc2c1CCC2,CID1328706,,,,,,,,,,,0.0,,,,,,
COc1ccc(NC(=O)c2c(NC(=O)CNCc3ccco3)sc3c2CCC3)c(OC)c1,CID1050766,,,0.0,,0.0,,,,,,0.0,,0.0,,,0.0,
COc1ccc(OC)c(NC(=O)c2c(NC(=O)CNCc3ccco3)sc3c2CCC3)c1,CID1329004,,,,,0.0,0.0,,,,,0.0,0.0,,,,,
COc1cc(OC)cc(C(=O)NCCSCc2ccco2)c1,CID2198180,,,0.0,,0.0,,,,,,,,,,,,
COc1ccc(C(=O)NCCSCc2ccco2)cc1OC,CID2271648,,,0.0,,0.0,0.0,,0.0,,,,,,,,,
CN(c1ccc(C(=O)NCCSCc2ccco2)cc1)S(C)(=O)=O,CID1728994,,,0.0,,0.0,,,,,0.0,0.0,,,,,,0.0
CS(=O)(=O)Nc1ccc(C(=O)NCCSCc2ccco2)cc1,CID2224311,,0.0,0.0,,0.0,,,,,0.0,,,,,0.0,0.0,
O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)N1CCN(c2ccccc2)CC1,CID3238871,0.0,,,,,,,,,,,,,,,,
Cc1ccc(-c2ccc(=O)n(CC(=O)N3CCN(c4cc(Cl)ccc4C)CC3)n2)cc1,CID4582579,,,,,,0.0,,,,,,,,,,,
COc1ccc(-c2ccc(=O)n(CC(=O)N3CCN(c4ccccc4OC)CC3)n2)cc1,CID3315092,0.0,,,,,,,,,,0.0,,,,,,
Cc1ccc(-c2ccc(=O)n(CC(=O)N3CCN(c4cccc(C)c4)C(C)C3)n2)cc1,CID3245318,0.0,0.0,,,0.0,0.0,,,,,,,,,,,
Cc1ccc(Nc2nc(-c3cccs3)cs2)nc1,CID972421,,,,,,,,,,,,,,0.0,,,
c1ccc(Nc2nc(-c3cccs3)cs2)nc1,CID649291,0.0,0.0,,,0.0,,0.0,,,,,,0.0,,,,
Cc1cccc(Nc2nc(-c3cccs3)cs2)n1,CID973018,,,,,,,,,,0.0,,,,,0.0,,
Clc1ccc(Nc2nc(-c3cccs3)cs2)nc1,CID2214576,,,,,,,,,0.0,,,,,,0.0,,
COC(=O)c1ccccc1NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1,CID2205590,0.0,,,0.0,0.0,,,,,,,0.0,,,,,
Cc1ccc(N(C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1,CID4092398,0.0,0.0,,,,,,0.0,,,,,,,0.0,,
Cc1ccc(N(C)C(=O)N2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1,CID991663,,,,,,0.0,,,,,,,,,0.0,,
CC(C)c1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1,CID6467955,,,,,,,,,,,,,,,0.0,,
CC(CCc1ccccc1)NS(=O)(=O)c1ccccc1,CID2914449,,,,,,0.0,,,,,,0.0,,0.0,0.0,,
Cc1ccc(S(=O)(=O)NC(C)CCc2ccccc2)cc1,CID2916062,,,,,,,,,,,,0.0,,,,,
COc1ccc(S(=O)(=O)NC(C)CCc2ccccc2)cc1,CID2915782,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccc(S(=O)(=O)NC(CCc2ccccc2)CC(=O)C(C)(C)C)cc1,CID6636276,,,,,,,,,,,,,,0.0,,,
COc1ccc(C)cc1NC(=O)C(Sc1nncn1C)c1ccccc1,CID4878989,,,,,,,,,,,,,,,0.0,,
Cn1cnnc1SC(C(=O)Nc1ccc(F)cc1)c1ccccc1,CID5150680,,,,,,,,,,,0.0,,,,,,
Cn1cnnc1SC(C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1,CID3658453,,,,,,,,,,,,0.0,,,,,
Cc1ccc(C)c(NC(=O)C(Sc2nncn2C)c2ccccc2)c1,CID2999891,0.0,0.0,0.0,,0.0,,0.0,0.0,,0.0,,,,,,,0.0
COc1cccc(NC(=O)CC2SC(Nc3ccccc3)=NC2=O)c1,CID661411,,,0.0,,0.0,,,0.0,,,0.0,,0.0,,,0.0,
CN(C1=NC(=O)C(CC(=O)Nc2ccc(Br)cc2)S1)c1ccc(O)cc1,CID2941543,0.0,,,,,,,,0.0,,0.0,,,0.0,,,0.0
COc1ccc(NC(=O)CC2SC(Nc3ccccc3)=NC2=O)c(OC)c1,CID3995749,,,,,0.0,,,,,,,,,,,,
COc1ccc(NC(=O)CC2SC(Nc3ccccc3)=NC2=O)cc1,CID5143254,,,,,,,,,,,,0.0,,,,,
CC1(C)N=C(c2ccc(Cl)cc2Cl)C(=O)N1,CID3237963,0.0,,,0.0,,,,,,,,,0.0,,,,
CC1(C)N=C(c2ccc(Cl)cc2)C(=O)N1,CID3240911,0.0,,,0.0,,0.0,0.0,,,0.0,,,,0.0,,,0.0
CC1(C)N=C(c2ccccc2)C(=O)N1,CID6621552,,,,,,,,,,,0.0,,,,,,
CC1(C)N=C(c2cccc(F)c2)C(=O)N1,CID3240492,,,0.0,0.0,,,,,,,0.0,,,,,,
Cc1ccc(-n2ncc3c(=O)n(CC(=O)OCc4ccccc4)cnc32)cc1,CID651518,0.0,,0.0,,,,0.0,0.0,0.0,,,0.0,0.0,,,,
COc1ccc(-n2ncc3c(=O)n(CC(=O)OCc4ccccc4)cnc32)cc1,CID648375,,,,,,,,0.0,,,,0.0,0.0,,,,
O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)OCc1ccccc1,CID646000,0.0,,,0.0,,,,0.0,,,,,,,0.0,,
O=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)OCc1ccccc1,CID3237048,,,0.0,,,,0.0,,,0.0,0.0,,,,,,
O=C(NNC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1,CID3794983,,,,,,0.0,,,,,,,,,,,
O=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1ccco1,CID3127338,,,,,,,,,,,,,,,0.0,,
CCCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccco2)cc1,CID2235358,,,,,,,,,,,,0.0,,,,,
CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)c2ccco2)cc1,CID1264241,,,,,,0.0,,,,,,,,,,,
COc1ccc2c(c1OC)C(=O)OC2CC(=O)c1ccc(O)cc1,CID2863812,,,0.0,,0.0,,0.0,0.0,,,0.0,,,,,0.0,
COc1ccc(C(=O)CC2OC(=O)c3c2ccc(OC)c3OC)cc1,CID2864110,,,,,,,,,,0.0,,,,,,,
COc1ccc2c(c1OC)C(=O)OC2CC(=O)c1ccc(N(C)C)cc1,CID2864745,,,,,,,,,,,0.0,,,,,0.0,
COc1ccc(OC)c(C(=O)CC2OC(=O)c3ccccc32)c1,CID666704,,,0.0,,,,,0.0,0.0,,,,,0.0,,,0.0
CC(C)c1nc(=S)n(-c2ccccc2)[nH]1,CID672502,,0.0,,,,,,,,,,,0.0,,,,0.0
Cc1nc(=S)n(-c2ccccc2)[nH]1,CID700801,,0.0,,,,,,,,,,,,,,,0.0
CC(=O)Nc1nc(=S)n(-c2ccccc2)[nH]1,CID679158,,0.0,,,,,,0.0,,0.0,0.0,0.0,0.0,,,,
Nc1nc(=S)n(-c2ccccc2)[nH]1,CID679156,,,,,,,,,,,,,,0.0,,,
Cc1ccc(N2C(=O)NC(=O)/C(=C\NCCN3CCOCC3)C2=O)cc1,CID5389133,,,0.0,,,,,0.0,,,,,,,,,
CC/C(NCCN1CCOCC1)=C1/C(=O)NC(=O)N(c2ccccc2C)C1=O,CID5389479,,,0.0,,,,0.0,0.0,,,,,,,,,
Cc1ccccc1N1C(=O)NC(=O)/C(=C\NCCN2CCOCC2)C1=O,CID5389143,,,,,,,,0.0,,,,,0.0,,,,0.0
C/C(NCCN1CCOCC1)=C1/C(=O)NC(=O)N(c2ccccc2C)C1=O,CID5389521,,0.0,0.0,0.0,,,,0.0,,,,,,,,,
Cc1ccc(SCC(=O)N2CC(C)OC(C)C2)cc1,CID2952676,,0.0,,,,,,,,,0.0,,,,,,
O=C(CSc1ccc(Cl)cc1)N1CCOCC1,CID879920,,,,,,,,,,0.0,,,0.0,,,,0.0
Cc1ccc(SCC(=O)N2CCOCC2)cc1,CID875760,,,,0.0,,,0.0,,,,,,,,,,
O=C(O)c1ccccc1SCC(=O)N1CCOCC1,CID1249560,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)C(C#N)c2nc3ccccc3nc2N2CCCC2)cc1,CID661022,0.0,,,,,,,,,,,,,,,,0.0
Cc1ccc(C)c(S(=O)(=O)C(C#N)c2nc3ccccc3nc2N2CCCC2)c1,CID666683,0.0,,,0.0,,0.0,,,,,,,0.0,,,0.0,0.0
Cc1ccc(S(=O)(=O)C(C#N)c2nc3ccccc3nc2N2CCCC2)cc1C,CID663530,0.0,,0.0,,,0.0,,,,,,,,,,0.0,
Cc1cccc(S(=O)(=O)C(C#N)c2nc3ccccc3nc2N2CCCC2)c1,CID664808,0.0,0.0,,,,,,0.0,,,,,,,,0.0,
COc1ccc(C(=O)CN2C(=O)NC(C)(c3ccccc3)C2=O)cc1OC,CID3889864,,,,,,,,,,0.0,,,,,,,
COc1ccc(OC)c(C(=O)CN2C(=O)NC(C)(c3ccccc3)C2=O)c1,CID2997913,,,,,,,,0.0,0.0,,,,0.0,,,,
COc1ccc(C(=O)CN2C(=O)NC(C)(c3ccc(C)cc3)C2=O)cc1OC,CID3956240,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C(=O)C(C)N2C(=O)NC(C)(c3ccccc3)C2=O)cc1,CID4875421,,,,,,,,,,,,,,0.0,,,
COc1ccc(Cc2nnc(NC(=O)CSc3ccccc3)s2)cc1,CID1077868,,,,,,,,,,,,,,0.0,,,
COc1ccc(Cc2nnc(NC(=O)CSc3ccc(Cl)cc3)s2)cc1OC,CID1400629,,,,,,,,,,,,,,0.0,,,
COc1ccc(Cc2nnc(NC(=O)CSc3ccccc3)s2)cc1OC,CID1214326,,,,,,,,,,,,,,0.0,,,
COc1ccc(Cc2nnc(NC(=O)CSc3ccc(C)cc3)s2)cc1,CID1401114,,,,,,,,,,,,,,0.0,,,
COCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccncc2)c1=N,CID662598,,,0.0,,,,,,,,,,0.0,,,,
CCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccncc2)c1=N,CID663729,,0.0,0.0,,,,,,,,,,,,,0.0,
Cc1cccn2c(=O)c3cc(C#N)c(=N)n(Cc4ccncc4)c3nc12,CID661631,,0.0,,0.0,,,,0.0,,,,,,,,,
Cc1cccn2c(=O)c3cc(C(=O)NC(C)C)c(=N)n(Cc4ccncc4)c3nc12,CID664432,,0.0,,0.0,,,,,,,,,,,,,
CCOc1cc(CNc2ccc3c(c2)CCC3)ccc1O,CID784402,,,,,,,,,,,0.0,,,0.0,,,
COc1cccc(CNc2ccc3c(c2)CCC3)c1,CID784639,,,,,,,,,,,0.0,,,,,,
COc1ccc(CNc2ccc3c(c2)CCC3)cc1OC,CID784312,,,,,,,,,,0.0,,,,,,,
COc1cc(CNc2ccc3c(c2)CCC3)cc(OC)c1O,CID783893,,,,,,,,0.0,,,,,,,,,
CCOc1ccc(NC(=O)C2CCN(c3nnnn3-c3ccccc3)CC2)cc1,CID3222676,,,,,,,,,0.0,0.0,,,,,,,
COc1ccc(NC(=O)C2CCN(c3nnnn3-c3ccccc3)CC2)cc1,CID3222675,,,,,,,,,,0.0,,,,,,,
O=C(Nc1ccc(F)cc1)C1CCN(c2nnnn2-c2ccccc2)CC1,CID645270,,,,0.0,,,,,,,,,,,,,
O=C(Nc1cccc(F)c1)C1CCN(c2nnnn2-c2ccccc2)CC1,CID648479,,,,0.0,,,,,,,,,0.0,,,,
CCC(=O)Nc1ccc(Oc2ccc3c(c2)C(=O)NC3=O)cc1,CID893889,0.0,,0.0,,,,,0.0,,,,,,,,,
O=C(O)CCCN1C(=O)c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C1=O,CID1300229,,,,,,,,,,,,,,,0.0,,
CC(=O)NN1C(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C1=O,CID728374,,,,,,0.0,,,,,,,,,,,
CC(=O)Nc1cccc(Oc2ccc3c(c2)C(=O)N(CCC(=O)O)C3=O)c1,CID2233919,,,,,,,,,,,,,0.0,,,,
C=CCn1c(N)c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc21,CID665001,0.0,0.0,,0.0,0.0,,,,0.0,0.0,,,,,,,
CC(C)CCn1c(N)c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc21,CID663597,0.0,,,,0.0,,,,0.0,0.0,,,,,,,
COCCn1c(N)c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc21,CID663873,,,,0.0,0.0,,0.0,,,0.0,0.0,,,,,0.0,
CC(C)Cn1c(N)c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc21,CID664639,0.0,0.0,,,0.0,,,,0.0,,0.0,,0.0,,,,
CCOc1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2Cc2ccco2)cc1,CID665004,0.0,,0.0,0.0,0.0,0.0,,,,,0.0,,,0.0,,,0.0
COc1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2Cc2ccco2)c(OC)c1,CID665273,0.0,0.0,,0.0,0.0,,,,,,0.0,0.0,,,,,
CCOc1ccccc1NC(=O)CSc1nnc(-c2ccccc2Cl)n1Cc1ccco1,CID665277,0.0,,,,0.0,,,,,,,0.0,,,,,0.0
COc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2Cc2ccco2)c(OC)c1,CID665401,0.0,,0.0,,0.0,,,,,,,,0.0,,,,0.0
COC(=O)CSc1nc(Cc2ccccc2)nc2ccccc12,CID1442564,,,,,,,,,,,,,,,0.0,,
CC(C)OC(=O)CSc1nc(Cc2ccccc2)nc2ccccc12,CID1442567,,,,,,,,,,,,,,0.0,,,
COc1nc(Cc2ccc(Cl)cc2)nc2ccccc12,CID4528353,,,,,,,,,,,,,,0.0,,,
C=CCSc1nc(Cc2ccc(Cl)cc2)nc2ccccc12,CID2766822,,,,,,0.0,,,,,,0.0,,,,,
CC(C)N(C(=O)Cn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nc2ccccc21)C(C)C,CID1440862,,,,,,,,,,,,,,,0.0,,
CN(C)C(=O)Cn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nc2ccccc21,CID1440866,,,,,,,,,,,0.0,,,,0.0,,
COc1ccc2nc(SCC(=O)NCc3ccc4c(c3)OCO4)[nH]c2c1,CID2082298,,,,,,,,,,,,,,0.0,,,
O=C(CSc1nc2ccccc2[nH]1)NCc1ccc2c(c1)OCO2,CID1505274,,,,,,,,,,,,,,0.0,,,
COc1ccc(NC2CC(=O)N(C(C)C)C2=O)cc1,CID2976198,,,,,,,,0.0,,,,,,,,,
CCCCN1C(=O)CC(Nc2ccc(CC)cc2)C1=O,CID2974618,,,0.0,,0.0,,,0.0,,0.0,,,,,,0.0,0.0
COc1ccc(NC2CC(=O)N(C)C2=O)cc1,CID616408,,,,,,,,,,0.0,,,,,,,0.0
COc1ccc(NC2CC(=O)NC2=O)cc1,CID613210,,,,,,,,,,,0.0,,,,,,
O=C(Cc1cccs1)N1CCCC(c2nc3n(Cc4ccccc4Cl)[nH]nc-3c(=O)n2)C1,CID647911,0.0,,,,0.0,,,,,0.0,,,0.0,0.0,,,
CC(C)(C)c1ccc(Cn2[nH]nc3c(=O)nc(C4CCCN(C(=O)Cc5cccs5)C4)nc2-3)cc1,CID644569,0.0,,,,,,0.0,,,,,,,,,0.0,
O=C(Cc1cccs1)N1CCCC(c2nc3n(Cc4ccc(F)cc4)[nH]nc-3c(=O)n2)C1,CID656340,0.0,,,0.0,,,,,,,,,,,,0.0,
O=C(Cc1cccs1)N1CCCC(c2nc3n(Cc4cccc(Cl)c4)[nH]nc-3c(=O)n2)C1,CID654464,0.0,,,,0.0,,,,,,,,,,,,
O=[N+]([O-])c1ccccc1OCCOCCOc1cccc2cccnc12,CID2288863,,,,,,,,,,,,,,,0.0,,
Brc1ccc(OCCOCCOc2cccc3cccnc23)cc1,CID2899627,,,,,,,,,,,,0.0,,,,,
COC(=O)c1ccccc1OCCOCCOc1cccc2ccc(C)nc12,CID2184814,,,,,,,,,,,,,,,0.0,,
Brc1ccccc1OCCOCCOc1cccc2cccnc12,CID2289004,,,,,,,,,,,,0.0,,,,,
CCCC1CC(c2csc(N)n2)CCO1,CID581496,,,0.0,0.0,0.0,,,,,,,,,,,,
CC(C)C1CC(c2csc(N)n2)CCO1,CID649965,,,,0.0,0.0,,,,,,0.0,,,,,,
CCC1(C)CC(c2csc(N)n2)CCO1,CID2833394,,,,,0.0,,,,,,,,,,,,
CC1(C)CC(c2csc(N)n2)CCO1,CID648091,0.0,,,0.0,0.0,,,0.0,,,,,,,,0.0,
O=C(/C=C\Nc1cccc(F)c1)c1ccc2c(c1)OCO2,CID5310801,,,,,,0.0,,,,,,0.0,,,,,
CCOc1ccc(N/C=C\C(=O)c2ccc3c(c2)OCO3)c([N+](=O)[O-])c1,CID5345394,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(N/C=C\C(=O)c2ccc3c(c2)OCO3)cc1,CID5345513,,,,,,0.0,,,,,,0.0,,,,,
COC(=O)c1ccc(N/C=C\C(=O)c2ccc3c(c2)OCO3)cc1,CID5345854,,,,,,0.0,,,,,,,,,,,
COc1ccc(-c2[nH]c(-c3ccc(F)cc3)nc2SCC(=O)NCc2ccco2)cc1OC,CID5308677,0.0,,,,,,0.0,,,,,,0.0,,,,
COc1ccc(-c2[nH]c(-c3ccc(C)cc3)nc2SCC(=O)NCc2ccco2)cc1OC,CID9550878,,,,,,,,,0.0,,,,,,,,
COc1ccc(-c2nc(SCC(=O)NCc3ccco3)c(-c3ccccc3)[nH]2)cc1OC,CID3245171,,,,,,0.0,,,,,,,,,,,
COc1ccc(-c2[nH]c(-c3cccc(OC)c3)nc2SCC(=O)NCc2ccco2)cc1,CID5308483,0.0,0.0,,,,,,,,,,,0.0,,,,
CCOC(=O)c1ccc(NC(=O)CSC2=NC(=O)C(CC)C(=O)N2)cc1,CID3243465,,,,0.0,,,,,0.0,,0.0,,,,,0.0,
COc1ccccc1NC(=O)CSC1=NC(=O)C(NC(C)=O)C(=O)N1,CID648719,,,0.0,0.0,,,0.0,,,,0.0,,,,,,
CCC1C(=O)N=C(SCC(=O)Nc2ccc(C(=O)OC)cc2)NC1=O,CID3241582,,,,,,,,0.0,0.0,,0.0,,,,,0.0,
CCC1C(=O)N=C(SCC(=O)Nc2ccccc2)NC1=O,CID2875764,,,,,,,,,,,,0.0,,0.0,,,
Cc1c(C)c2cc(Cl)c(O)c(CN3CCCCC3)c2oc1=O,CID5389480,,,,,,0.0,,,,,,0.0,,0.0,,0.0,
Cc1c(C)c2cc(Cl)c(O)c(CN3CCCC(C)C3)c2oc1=O,CID5389607,,,,0.0,,,,,,,,,,,,,
CCc1c(C)c2cc(Cl)c(O)c(CN3CCCCC3)c2oc1=O,CID5389605,,,,0.0,,,,,,,0.0,,,,,,
Cc1cc(=O)oc2c(CN3CCCCC3)c(O)c(Cl)cc12,CID5389392,,,,,,,,,,,0.0,,,,,,
O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc(Br)cn1,CID3241827,0.0,,,,,,,,0.0,,0.0,,,,,0.0,
Cc1cccnc1NC(=O)CCCN1C(=O)c2ccccc2C1=O,CID649072,0.0,,,0.0,0.0,,,,0.0,,,0.0,0.0,,,,
Cc1cccc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)n1,CID772774,,,,,,0.0,,,0.0,,,,,,,,
O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccccn1,CID831076,,,0.0,,,,,0.0,0.0,,,,0.0,,,,
Cc1ccc(NC(=O)c2cccc(OCc3c(C)noc3C)c2)c(C)c1,CID2998641,0.0,,,0.0,,0.0,,0.0,0.0,,,0.0,0.0,,,,0.0
Cc1noc(C)c1COc1cccc(C(=O)Nc2ccc(C#N)cc2)c1,CID2094668,0.0,0.0,,0.0,,,,,0.0,0.0,0.0,,,,,,
Cc1ccccc1NC(=O)c1cccc(OCc2c(C)noc2C)c1,CID2598908,,,,,,0.0,,,,,0.0,0.0,,0.0,,,
Cc1ccc(NC(=O)c2cccc(OCc3c(C)noc3C)c2)cc1,CID2664711,,,,,,,,,0.0,,0.0,,,0.0,,,
O=C(OCC(=O)N1CCc2ccccc21)c1cccnc1,CID655828,,,,,,,,0.0,,,,,,,0.0,,
O=C(OCC(=O)N1CCc2ccccc21)c1cccnc1Cl,CID2429889,,,,,,,,,,0.0,,,,0.0,,,
O=C(OCC(=O)N1CCc2ccccc21)c1ccc(Cl)nc1,CID2428761,,,,,,,,,,0.0,,,,0.0,,,
CC1Cc2ccccc2N1C(=O)COC(=O)c1cccnc1Cl,CID4035890,,,,,,,,,,,0.0,0.0,,,,,
CCc1nc2ccccc2c(=O)n1NC(=O)c1c(O)n2c3c(cccc3c1=O)CCC2,CID647125,,,,,,,,0.0,,,,,,,,,
CCCCc1nc2ccccc2c(=O)n1NC(=O)c1c(O)n2c3c(cccc3c1=O)CCC2,CID654222,,,,,,0.0,,0.0,,0.0,0.0,,,,,,0.0
CCCc1nc2ccccc2c(=O)n1NC(=O)c1c(O)n2c3c(cccc3c1=O)CCC2,CID656093,,,,,,,,,,,,,0.0,,,,
CCCCCCc1nc2ccccc2c(=O)n1NC(=O)c1c(O)n2c3c(cccc3c1=O)CCC2,CID1597467,,,,,,0.0,,,,,,,,,,,
COc1cc(OC)cc(-c2cc3nc(C)c(CCC(=O)NCc4ccco4)c(C)n3n2)c1,CID9550470,,,,,,0.0,,,,0.0,,,,,,,
COc1ccccc1-c1cc2nc(C)c(CCC(=O)NCc3ccco3)c(C)n2n1,CID5307310,0.0,0.0,,,,,,,,0.0,,,,,,,
COc1ccc(-c2cc3nc(C)c(CCC(=O)NCc4ccco4)c(C)n3n2)c(OC)c1,CID3237239,0.0,,,0.0,0.0,,0.0,0.0,,,0.0,0.0,0.0,,,,0.0
Cc1nc2cc(-c3ccc(Cl)cc3)nn2c(C)c1CCC(=O)NCc1ccco1,CID9550743,,,,,,,,,,,,0.0,,,,,
O=C(Nc1ccccc1)N1CCn2c(nc3ccccc32)C1,CID3241288,,0.0,,0.0,,0.0,0.0,,,,,0.0,,,,0.0,
COc1ccccc1NC(=O)N1CCn2c(nc3ccccc32)C1,CID3241965,,0.0,0.0,,,,,,,,,,0.0,,,,
O=C(Nc1ccccc1Cl)N1CCn2c(nc3ccccc32)C1,CID9551248,,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccc(F)cc1)N1CCn2c(nc3ccccc32)C1,CID3238265,,0.0,0.0,,,,,,,,,0.0,0.0,,0.0,,
CN1CCc2c(sc3c2c(=O)n(-c2ccccc2)c2nnc(SCc4ccccc4)n32)C1,CID658950,,,,0.0,0.0,,,,,,,,0.0,,,,
CN1CCc2c(sc3c2c(=O)n(-c2ccccc2)c2nnc(SCc4ccc(F)cc4)n32)C1,CID663973,,,,,0.0,,,,,,0.0,,,,,,
CN1CCc2c(sc3c2c(=O)n(-c2ccccc2)c2nnc(SCc4ccc(Cl)cc4)n32)C1,CID664282,,,,,,,0.0,,,,,,,,,,
CN1CCc2c(sc3c2c(=O)n(-c2ccccc2)c2nnc(SCc4ccccc4F)n32)C1,CID663789,,,,,0.0,,,,,,0.0,,,,,,0.0
COc1ccc(CCNC(=O)c2cnn3cccnc23)cc1OC,CID2227105,,,0.0,,,,,,0.0,,,,,,0.0,,0.0
Cc1cc(C(F)F)n2ncc(C(=O)NCCc3ccccc3Cl)c2n1,CID2168967,,,,,,,,,,0.0,,,,,,,
COc1ccccc1CCNC(=O)c1cnn2c(C(F)F)cc(C)nc12,CID2168938,,0.0,,,0.0,,,,,,,,,,,,
Cc1cc(C)n2ncc(C(=O)NCCc3ccccc3)c2n1,CID1097838,,,,,,,,,,0.0,,0.0,,0.0,0.0,,
CCCn1c(O)c(C(=O)Nc2ccccc2)c(=O)c2c1CCCC2,CID645182,0.0,,,0.0,0.0,,,,0.0,,,0.0,,,,,0.0
CC(C)Cn1c(O)c(C(=O)Nc2ccc(F)cc2)c(=O)c2c1CCCC2,CID661077,,,,0.0,,,0.0,,,,,,,,,,
CCCn1c(O)c(C(=O)Nc2ccc(OCC)cc2)c(=O)c2c1CCCC2,CID653910,0.0,,,0.0,,0.0,0.0,0.0,0.0,,0.0,0.0,0.0,,,0.0,
CCCn1c(O)c(C(=O)Nc2ccc(OC)cc2)c(=O)c2c1CCCC2,CID654306,0.0,,,0.0,,,0.0,,0.0,,,0.0,0.0,,,0.0,0.0
CC(/C=N/NC(=O)c1cccnc1)=C\c1ccco1,CID1848746,,,,,,,,,0.0,,,,,,0.0,,
O=C(N/N=C/C=C\c1ccco1)c1cccnc1,CID1898567,,,,,,0.0,,,,,,,,,,,
O=C(N/N=C/C=C/c1ccco1)c1cccnc1,CID1898568,,,,,,,,,,,,,,0.0,,,
CC(/C=C/c1ccco1)=N\NC(=O)c1cccnc1,CID871389,,,,,,0.0,,,0.0,,,,,,0.0,,
O=C(COC(=O)CCc1c[nH]c(=O)[nH]1)Nc1cccc(Cl)c1,CID891137,,,,,,,0.0,,,,,,,,0.0,,
Cc1ccc(NC(=O)COC(=O)CCc2c[nH]c(=O)[nH]2)cc1,CID753474,0.0,0.0,,,0.0,,0.0,,,,,,,,,,
O=C(COC(=O)CCc1c[nH]c(=O)[nH]1)Nc1ccccc1Cl,CID889213,,,,,,,0.0,,,,,,,,,0.0,
O=C(COC(=O)CCc1c[nH]c(=O)[nH]1)Nc1ccccc1,CID655712,,0.0,0.0,,0.0,,,,,,0.0,,0.0,,,,
COc1ccccc1C1/C(=C(\O)c2c(C)nc3c(C)cccn23)C(=O)C(=O)N1CCCN(C)C,CID5389815,,,0.0,0.0,,,,,,,,,,,,0.0,
COc1cccc(C2/C(=C(\O)c3c(C)nc4c(C)cccn34)C(=O)C(=O)N2CCCN(C)C)c1,CID5389860,,,0.0,,,,,,,,,,,,,,
Cc1nc2ccccn2c1/C(O)=C1\C(=O)C(=O)N(CCCN(C)C)C1c1ccc(Cl)cc1,CID5307200,0.0,,,,,,,,,,,,,,,,
COc1cccc(C2/C(=C(\O)c3c(C)nc4c(C)cccn34)C(=O)C(=O)N2CCCN(C)C)c1OC,CID5389911,,,0.0,,,,0.0,,,0.0,,,,,,,
Cc1ccnc(NC(=O)c2cc3ccccc3oc2=O)c1,CID1523620,,,,,,,,,,,,,,0.0,,,
CCN(CC)c1ccc2cc(C(=O)Nc3ccccn3)c(=O)oc2c1,CID658314,,0.0,0.0,,0.0,,,,0.0,,,,,0.0,0.0,,
Cc1cccnc1NC(=O)c1cc2ccccc2oc1=O,CID691567,,,,,,,,,,,,,,,0.0,,
COc1cccc2cc(C(=O)Nc3cccc(C)n3)c(=O)oc12,CID651868,,,,,,,,,0.0,,,,,,,0.0,
Cc1cc(Oc2ccc(C#N)cc2)nc(NCc2ccccc2)n1,CID1927680,,,,,,0.0,,,,,,,,,,,
COC(=O)c1ccc(Oc2cc(C)nc(NCc3ccccc3)n2)cc1,CID659862,0.0,,0.0,,,0.0,0.0,,0.0,0.0,0.0,,0.0,,,,
CC(=O)c1ccc(Oc2cc(C)nc(NCc3ccccc3)n2)cc1,CID721063,,,,,,,,,0.0,0.0,,0.0,,,,,
Cc1cc(Oc2ccccc2)nc(NCc2ccccc2)n1,CID697240,,,,,,,,,0.0,,,0.0,,,0.0,,
Cc1csc(NC(=O)c2nc3nccc(C)n3n2)n1,CID2093872,,0.0,,0.0,0.0,,,,,,,,,,0.0,,
Cc1cc(C)n2nc(C(=O)Nc3nccs3)nc2n1,CID2468986,,,,,,,,,,,,,,,0.0,,
Cc1ccnc2nc(C(=O)Nc3nccs3)nn12,CID2531445,,,,,,,,,,,,0.0,,,,,
Cc1csc(NC(=O)c2nc3nc(C)cc(C)n3n2)n1,CID2107464,,0.0,,,0.0,,,,,0.0,,,,,,,
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1nc2nccc(C)n2n1,CID2093873,,,,,,,,,,0.0,,,0.0,,,,
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1nc2nc(C)cc(C)n2n1,CID2112001,0.0,,,0.0,,,,,,,,,,,,,
Cc1cc(C)n2nc(C(=O)Nc3ccc(N4CCOCC4)cc3)nc2n1,CID2117308,,,,,,,,,,,,,,0.0,,,
Cc1ccnc2nc(C(=O)Nc3ccc(N4CCOCC4)cc3)nn12,CID2531448,,,,,,,,,,0.0,,,,,,,
Cc1cc(C)cc(C(=O)/C=C2\NC(=O)CS2)c1,CID5742533,,,0.0,,,,,,,,,,0.0,,,,
O=C1CS/C(=C/C(=O)c2ccccc2)N1,CID870646,,,,,0.0,,0.0,,,,,,0.0,,,,
CC(C)(C)c1ccc(C(=O)/C=C2\NC(=O)CS2)cc1,CID5715382,,,0.0,,,,,,,,,,0.0,,,,
Cc1ccccc1C(=O)/C=C1\NC(=O)CS1,CID2120108,,,,,0.0,,,,,0.0,,,,,,,
Cc1nnc(NC(=O)C(C)Sc2nncn2C)s1,CID3540339,,,,,,,,,,0.0,,,0.0,0.0,,,
CCOC(=O)Cc1nnc(NC(=O)C(CC)Sc2nncn2C)s1,CID4681808,,,,0.0,,,,,,,,,,,,0.0,
CC(Sc1nncn1C)C(=O)Nc1nnc(C(C)C)s1,CID4106605,,0.0,,0.0,,,,,,,,,,,,,0.0
CCOC(=O)Cc1nnc(NC(=O)CSc2nncn2C)s1,CID2171439,,0.0,,,,,,,,,,,,,,0.0,
Fc1ccc(CSc2ncnc3c2oc2ccccc23)cc1,CID663707,,0.0,0.0,,,,,,,,,,,,,,
c1ccc(CSc2ncnc3c2oc2ccccc23)cc1,CID3131853,,,,,,,,,,0.0,,0.0,,,,,
Fc1cccc(CSc2ncnc3c2oc2ccccc23)c1,CID664489,,,,0.0,,,0.0,,,,,,,,,0.0,
Fc1ccccc1CSc1ncnc2c1oc1ccccc12,CID663391,,,,,,0.0,,,,,,,,,,,
O=C(c1cnn2c(C(F)(F)F)cc(-c3ccc(Br)cc3)nc12)N1CCOCC1,CID1111217,0.0,,,,,,,,,,,,,,,,
O=C(c1cnn2c(C(F)F)cc(-c3ccccc3)nc12)N1CCOCC1,CID652417,,,,,0.0,,,,,,,,0.0,,,,
O=C(c1cnn2c(C(F)(F)F)cc(-c3ccccc3)nc12)N1CCOCC1,CID1004815,0.0,,,,0.0,,,,,,,,,,,,
CC1CN(C(=O)c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)CC(C)O1,CID655890,,,,,,,,,,,,,0.0,,,,
CC(=O)c1c(CC(=O)O)[nH]n(-c2nc3ccccc3s2)c1=O,CID713337,,,,,,,,,0.0,,,,,,,,
CCOC(=O)Cc1cc(=O)n(-c2nc3ccccc3s2)[nH]1,CID663162,0.0,0.0,,,0.0,0.0,,,0.0,0.0,,,0.0,,,0.0,0.0
COC(=O)Cc1cc(=O)n(-c2nc3ccccc3s2)[nH]1,CID748054,0.0,0.0,,0.0,,,,,,0.0,,0.0,,,,0.0,0.0
COC(=O)Cc1[nH]n(-c2nc3ccccc3s2)c(=O)c1C(C)=O,CID707685,,,,,,,,,0.0,,,,,0.0,,,
Cc1nnc(N2C(=O)c3cccc4cccc(c34)C2=O)s1,CID921133,,,,,,0.0,,,,,,0.0,,,,,
O=C1c2cccc3cccc(c23)C(=O)N1c1nncs1,CID659500,,0.0,,0.0,,,0.0,0.0,,,,,0.0,,,0.0,
CCCc1nnc(N2C(=O)c3cccc4cccc(c34)C2=O)s1,CID806965,,,,,,,,,,,,,,0.0,0.0,,
CCc1nnc(N2C(=O)c3cccc4cccc(c34)C2=O)s1,CID807480,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)Nc2ncc3c(n2)CC(c2ccco2)CC3=O)cc1,CID664252,,,,,,0.0,,,0.0,,,,0.0,,,0.0,
Cc1ccc(C(=O)Nc2ncc3c(n2)CC(c2ccco2)CC3=O)cc1,CID663468,,0.0,,0.0,0.0,,,,0.0,,,,0.0,0.0,,,
COc1ccccc1C(=O)Nc1ncc2c(n1)CC(c1ccco1)CC2=O,CID664032,,,0.0,,,,,,,0.0,0.0,,,,,,
O=C(Nc1ncc2c(n1)CC(c1ccco1)CC2=O)c1ccc(Cl)cc1,CID664438,0.0,,,,,,,,,,,,0.0,,,0.0,0.0
CN1CCc2c(sc3c2c(=O)n(-c2cccc(Cl)c2)c2nncn32)C1,CID664251,0.0,0.0,,0.0,0.0,,,,,,,0.0,,,,,0.0
Cc1nnc2n(-c3ccc(Cl)cc3)c(=O)c3c4c(sc3n12)CN(C)CC4,CID662929,,,,,0.0,,,,,,,,,,,,0.0
CN1CCc2c(sc3c2c(=O)n(-c2ccccc2)c2nncn32)C1,CID664527,,0.0,0.0,0.0,,,,,,,,,,,,0.0,
CN1CCc2c(sc3c2c(=O)n(-c2ccc(Cl)cc2)c2nncn32)C1,CID662290,,0.0,,,0.0,,,,,,0.0,,,,,,0.0
CC(C)(C)OC(=O)N1CCCC1C(=O)NCCc1ccccc1,CID664250,,,,,0.0,0.0,,,0.0,,,,,0.0,,,
CC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(N)=O,CID3244503,,,,,,,,,,,,0.0,,,,,
CC(NC(=O)OC(C)(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(N)=O,CID3237360,,,,,,,,,,,,,0.0,,,,
CC(C)(C)OC(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)O,CID3245757,,,,,,,,,0.0,,,,0.0,,,,
COC(=O)c1ccc2c(=O)n(Cc3ccco3)c(SCC(=O)Nc3ccccc3Cl)nc2c1,CID3240383,0.0,,,,,0.0,,,0.0,,0.0,0.0,,,,,0.0
CCN(C(=O)CSc1nc2cc(C(=O)OC)ccc2c(=O)n1Cc1ccco1)c1cccc(C)c1,CID3238963,,,,,0.0,,,0.0,,,0.0,,,,,,0.0
COC(=O)c1ccc2c(=O)n(Cc3ccco3)c(SCC(=O)Nc3ccc(C)c(Cl)c3)nc2c1,CID3242177,0.0,,,,,,,,0.0,,0.0,,,,0.0,,
CCc1ccc(NC(=O)CSc2nc3cc(C(=O)OC)ccc3c(=O)n2Cc2ccco2)cc1,CID3238341,,,,,,0.0,,0.0,,0.0,0.0,,,,,,0.0
N#CCSc1nnc(-c2sc3ccccc3c2Cl)o1,CID2514699,,,,,,,,,,,,,,0.0,,,
COC(=O)CSc1nnc(-c2sc3ccccc3c2Cl)o1,CID707664,,,,,,,,,,,,,,0.0,0.0,,
C#CCSc1nnc(-c2sc3ccccc3c2Cl)o1,CID1588040,,,,,,,,,,,,,,,0.0,,
COc1ccc2c(Cl)c(-c3nnco3)sc2c1,CID2408768,,,,0.0,,,,,,,,,,,,,
COc1ccccc1Nc1oc2cc(=O)ccc-2cc1C(=O)NCC1CCCO1,CID652424,,,0.0,,,,0.0,,0.0,,,,0.0,,,,
CCOc1ccc(Nc2oc3cc(=O)ccc-3cc2C(=O)NCC2CCCO2)cc1,CID3171595,,,,,,,,,0.0,0.0,0.0,,,,,,
COc1ccc(Nc2oc3cc(=O)ccc-3cc2C(=O)NCC2CCCO2)cc1,CID645570,,,,,,0.0,0.0,,0.0,,,,,,,,
COc1ccc(Nc2oc3cc(=O)ccc-3cc2C(=O)NCC2CCCO2)c(OC)c1,CID656123,,,,,,,,0.0,0.0,0.0,,,,,,,
CCC(=O)N(CCC(c1ccco1)c1ccccc1OC)Cc1cccs1,CID2957599,,,,,,0.0,,,,,,,,,,,
CC(=O)N(CCC(c1ccccc1)c1ccco1)Cc1cccs1,CID3747284,,,,,,,,,,0.0,,,,,,,
CCC(=O)N(CCC(c1ccccc1)c1ccco1)Cc1cccs1,CID5025909,,,,,,0.0,,,,,,,,,,,
COc1ccccc1C(CCN(Cc1cccs1)C(C)=O)c1ccco1,CID662195,,,,0.0,,,,0.0,,,,,,,,,
COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccccc4OC)CC3)CC2)cc1,CID1075491,,,,,0.0,,,,,,,,,,,,0.0
COc1ccccc1N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1,CID1209202,0.0,,,,0.0,0.0,,,,,,,,,,,0.0
COc1ccccc1N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1,CID2295450,0.0,,0.0,0.0,0.0,0.0,0.0,,,,,,,,,,
COc1ccccc1N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1,CID1325980,,,,,,,,0.0,,,,,,,,,
CCCCOc1ccc(/C=c2\sc3ncnn3c2=O)cc1,CID659550,,,0.0,,,,0.0,,,,,0.0,0.0,0.0,0.0,,0.0
CCOc1ccccc1/C=c1\sc2ncnn2c1=O,CID3240874,,,,,,0.0,,,,0.0,,0.0,,,,,
CC(=O)Oc1ccc(/C=c2\sc3ncnn3c2=O)cc1,CID3238391,,,0.0,0.0,,,,0.0,,0.0,,,,,,0.0,
CCCCCOc1ccc(/C=c2\sc3ncnn3c2=O)cc1,CID659688,,,,0.0,,,,0.0,,0.0,,,,,,0.0,
Cc1ccoc1C(=O)Nc1cccc(Oc2ccccc2)c1,CID881972,,,,,,,,,,,,0.0,,,,,
CCOc1ccc(Oc2cc(NC(=O)c3ccco3)cc([N+](=O)[O-])c2)cc1,CID1355960,,,,,,0.0,,,,,,,,,0.0,,
O=C(Nc1cc(Oc2ccc(Cl)cc2)cc([N+](=O)[O-])c1)c1ccco1,CID1103084,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C(=O)Nc2cccc(Oc3ccccc3)c2)o1,CID681933,,,,,,,,,,,,0.0,,,,,
O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1nncs1,CID659557,,0.0,0.0,0.0,,0.0,,,,0.0,,,,,,0.0,0.0
Cc1nnc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)s1,CID920392,,0.0,,0.0,,,,,,0.0,,0.0,0.0,,,0.0,0.0
CCCc1nnc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)s1,CID1334639,,,,,,,,,0.0,,0.0,,,,0.0,,
CCC(CC)c1nnc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)s1,CID1579459,,,,,,,,,0.0,,0.0,,,,,,
COc1ccc(NC(=O)c2sccc2-n2cccc2)cc1,CID3753051,,,,,,,,,,,,,,0.0,,,
O=C(Nc1ccc(Br)cc1F)c1sccc1-n1cccc1,CID3240274,,,,,,,,,0.0,,,,,,,0.0,
Cc1cccc(NC(=O)c2sccc2-n2cccc2)c1C,CID1477681,,,,,,0.0,,,,,,,,,,,
Cc1c(Br)cccc1NC(=O)c1sccc1-n1cccc1,CID1477680,,,,,,,,,0.0,,0.0,,,0.0,,,
CS(=O)(=O)Nc1ccccc1C(=O)NC1CC2CCC1C2,CID2969439,,,0.0,0.0,,,,,,,,,,,,,
CSc1ccccc1C(=O)NC1CC2CCC1C2,CID2968596,,,,,0.0,,,,,0.0,,,,,,,
CS(=O)(=O)Nc1ccc(C(=O)NC2CC3CCC2C3)cc1,CID2972270,,,,,,,,,,,0.0,,,,,,
CN(c1ccc(C(=O)NC2CC3CCC2C3)cc1)S(C)(=O)=O,CID2948114,,,,,,,,,,0.0,,0.0,,,,,
O=c1c2c(-c3cccs3)csc2ncn1-n1cccc1,CID1279895,,,,,,0.0,,,,0.0,,,,0.0,0.0,,
Cc1nc2scc(-c3cccs3)c2c(=O)n1-n1cccc1,CID706118,0.0,,0.0,,0.0,,0.0,,,0.0,,,,,0.0,,
Cc1ccc(C)n1-n1c(C)nc2scc(-c3cccs3)c2c1=O,CID706115,,,,0.0,0.0,0.0,0.0,,,0.0,0.0,,,,0.0,,
Cc1ccc(C)n1-n1cnc2scc(-c3cccs3)c2c1=O,CID1536964,0.0,0.0,0.0,0.0,0.0,,,,,,0.0,,0.0,,,,
C=CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)C2c2ccccc2)cc1,CID5389380,,0.0,,,,,0.0,0.0,,,,,,,,,
COC(=O)c1ccc(C2/C(=C(\O)c3cccc(OC)c3)C(=O)C(=O)N2CCCN2CCOCC2)cc1,CID5389287,,,,,,,,0.0,,,,,,,,,
COc1ccc(C2/C(=C(/O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1,CID5389238,,,0.0,,,,,0.0,,,,,,0.0,,,
C=CCOc1cccc(C2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2CCCN2CCOCC2)c1,CID5389426,,,0.0,,,,0.0,,,,,,0.0,,,0.0,
O=C(CN(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccccc1)NC1CCCCC1,CID653528,,,,,0.0,,0.0,0.0,0.0,,,,,,0.0,,
O=C(CN(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)NC1CCCCC1,CID645502,0.0,,,,0.0,,,,0.0,,,0.0,0.0,,,,0.0
Cc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NC2CCCCC2)Cc2ccco2)cc1,CID646607,,,,,0.0,,,,0.0,,,,0.0,,,,0.0
CCCC(C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccccc1,CID646714,,,0.0,,0.0,,,0.0,,0.0,0.0,,0.0,,,,0.0
Cc1cc(=O)n2[nH]c(COc3ccccc3)nc2n1,CID1265865,,0.0,,,,,,,0.0,,,,,,,,0.0
Cc1nc2nc(COc3ccccc3)[nH]n2c(=O)c1C,CID665993,,,,,,,,,0.0,,,0.0,,0.0,0.0,,
Cc1nc2nc(COc3ccccc3)[nH]n2c(=O)c1Cl,CID665997,0.0,0.0,,,,,,,,,,,,,0.0,,
CCOC(=O)c1cnc2nc(COc3ccccc3)[nH]n2c1=O,CID1952823,,0.0,,,,,,,,,0.0,,0.0,,,,
Cc1ccccc1NC(=O)C1CCN(c2cnccn2)CC1,CID646156,,0.0,0.0,0.0,,,0.0,,,,,0.0,0.0,,0.0,,
Cc1ccc(F)cc1NC(=O)C1CCN(c2cnccn2)CC1,CID655822,,,,,,,0.0,,,,,,,,,,
Cc1cc(C)c(NC(=O)C2CCN(c3cnccn3)CC2)c(C)c1,CID3222621,,,,,,,,,,,,0.0,,,,,
Cc1ccc(NC(=O)C2CCN(c3cnccn3)CC2)cc1,CID3222605,,,,,,,,,,,,,,0.0,,,
O=Cc1cn(-c2ccccc2)nc1-c1cc2cc(O)ccc2oc1=O,CID2319222,,,,,,,,,,,,,,0.0,,,
O=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O,CID818150,,,,,,,,,0.0,,,,,0.0,,,
N#Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O,CID876573,0.0,0.0,,0.0,,,0.0,,,,,,,,0.0,0.0,
NC(=O)c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O,CID976991,,,,,,,,,,,,0.0,,,,,
CC(NC(=O)c1ccccc1NC(=O)c1ccco1)c1ccccc1,CID2882354,,,,,,,,,0.0,0.0,,,,,,,0.0
CN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)c1ccco1,CID2221407,0.0,,,0.0,,,0.0,,0.0,,,0.0,0.0,0.0,,,
O=C(Nc1ccccc1C(=O)NCc1ccccc1)c1ccco1,CID829467,,,0.0,0.0,,,,,0.0,,,,0.0,,,0.0,
O=C(Nc1ccccc1C(=O)NCc1ccc(Cl)cc1)c1ccco1,CID1314948,,0.0,,0.0,,,,0.0,,,,,,,,0.0,
Cc1sc(NC(=O)c2cccc([N+](=O)[O-])c2)c(C(N)=O)c1-c1ccc(C(C)(C)C)cc1,CID1225264,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)c1cccc([N+](=O)[O-])c1,CID1353112,,,,,,0.0,,,,,,,,,,,
O=C(Nc1scc(-c2ccccc2)c1C(=O)O)c1ccccc1F,CID829698,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(=O)Nc2sc(C)c(-c3ccccc3)c2C#N)cc1OC,CID1225462,,,,,,,,,,,,0.0,,,,,
Cc1nonc1C(=O)N/N=C/c1ccccc1,CID542839,,,,,,,,,,,,,,0.0,,,
Cc1nonc1C(=O)N/N=C/c1cccc(O)c1,CID739396,,,,,,,,,,,,,,0.0,,,
COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1nonc1N,CID3094585,,,,,,,,,,,,,,0.0,,,
COc1cc(/C=N/NC(=O)c2nonc2N)cc(OC)c1OC,CID629405,,,,,,,,,,,,,,,0.0,,
COc1ccc(OC)c(N2C(=O)NC(=O)/C(=C\NCc3ccc4c(c3)OCO4)C2=O)c1,CID5389673,,,0.0,,,,,0.0,,,,,,,,,
COc1ccccc1N1C(=O)NC(=O)/C(=C\NCc2ccc3c(c2)OCO3)C1=O,CID5389704,,,,,,,,,0.0,,,,0.0,,,,
CCOc1ccccc1N1C(=O)NC(=O)/C(=C\NCc2ccc3c(c2)OCO3)C1=O,CID5389496,,,0.0,,,0.0,0.0,,,,,,,,,0.0,
COc1cccc(N2C(=O)NC(=O)/C(=C\NCc3ccc4c(c3)OCO4)C2=O)c1,CID5557479,,,,,,,,,,,0.0,0.0,,,,,
CC(C)(C)N1C(=O)NC(=O)/C(=C/Nc2ccc3c(c2)CCC3)C1=O,CID5389679,,,,,,,,,,,,,0.0,,,,
CC(Nc1ccc2c(c1)CCC2)=C1C(=O)N(C)C(=O)N(C)C1=O,CID5389493,,,,,,0.0,0.0,,,,,,,,,,
CCC(Nc1ccc2c(c1)CCC2)=C1C(=O)N(C)C(=O)N(C)C1=O,CID5389641,,,,,,,0.0,,,,,,,,,,
CCCCN1C(=O)NC(=O)/C(=C(/CC)Nc2ccc3c(c2)CCC3)C1=O,CID5389541,,,,,,,,,,,0.0,,,,,,0.0
Cc1ccc(-n2c3c(cc(C(=O)Nc4cccc(C)n4)c2=O)C(=O)CCC3)cc1,CID645443,,,0.0,,0.0,,,0.0,0.0,,,,0.0,,,,
O=C1CCCc2c1cc(C(=O)Nc1ccc(Cl)cn1)c(=O)n2-c1ccccc1,CID647124,0.0,0.0,0.0,,,,,,,,,,,,,0.0,0.0
Cc1cccc(NC(=O)c2cc3c(n(-c4ccccc4)c2=O)CCCC3=O)n1,CID1307078,,,0.0,,,,0.0,,0.0,0.0,0.0,,0.0,,,,
O=C1CCCc2c1cc(C(=O)Nc1ccc(Br)cn1)c(=O)n2-c1ccccc1,CID1287591,,,,,,,0.0,,,,0.0,,,,0.0,0.0,0.0
Oc1c(C(c2cccs2)N2CCN(c3ccc(F)cc3)CC2)sc2ncnn12,CID4993173,,,,,0.0,0.0,,,,,,,0.0,,,,
Cc1nc2sc(C(c3cccs3)N3CCN(c4ccccc4)CC3)c(O)n2n1,CID5077327,,,,0.0,0.0,,,,,,,,,,,0.0,0.0
Oc1c(C(c2cccs2)N2CCN(c3ccccc3)CC2)sc2ncnn12,CID4569772,,,,,0.0,,,,,,,,,,,0.0,
Cc1nc2sc(C(c3cccs3)N3CCN(c4cccc(Cl)c4)CC3)c(O)n2n1,CID5081572,,,0.0,,,,,,,,0.0,,,,,,
O=C(Nc1ccc(F)cc1)Nc1ccccc1NS(=O)(=O)c1cccs1,CID2322189,,,,,,,,,,,,,,0.0,,,
O=C(Nc1cccc(Cl)c1)Nc1ccccc1NS(=O)(=O)c1cccs1,CID2322183,,,,,,,,,,,,,,0.0,,,
O=C(Nc1ccc(Cl)cc1)Nc1ccccc1NS(=O)(=O)c1cccs1,CID2322195,,,,,,,,,,,,,,0.0,,,
O=C(Nc1ccccc1)Nc1ccccc1NS(=O)(=O)c1cccs1,CID2322191,,,,,,,,,,,,,,0.0,,,
CC1CCc2nc(NC(=O)c3ccco3)sc2C1,CID2950423,,0.0,,0.0,0.0,,0.0,,,,,,,,,,
Cc1ccc(C(=O)Nc2nc3c(s2)CCCC3)o1,CID841544,,0.0,,0.0,0.0,,0.0,,,0.0,,,,,0.0,,0.0
CN(C(=O)c1ccco1)c1nc2c(s1)CCCC2,CID1485671,,,,,,,,,,,,0.0,,,,,
O=C(Nc1nc2c(s1)CCCC2)c1ccc(Br)o1,CID698455,0.0,,,,,,,,0.0,,,,,0.0,,0.0,0.0
O=C1/C(=C/c2cccnc2)SC(=S)N1c1ccccc1,CID1549846,,,,,,,,,,,,,,0.0,,,
Cc1ccc(N2C(=O)/C(=C/c3cccnc3)SC2=S)cc1,CID1610940,,,,,,,,,,,,,,0.0,,,
CCN(CC)c1ccc(N2C(=O)/C(=C\c3cccnc3)SC2=S)cc1,CID1553306,,,,,,0.0,,,,,,,,0.0,,,
CCN(CC)c1ccc(N2C(=O)/C(=C/c3cccnc3)SC2=S)cc1,CID1553304,,,,,,0.0,,,,,,,,0.0,0.0,,
COCCOC(=O)c1c(C)oc2ccc(OC(=O)c3c(OC)cccc3OC)cc12,CID666185,,,,,,,,0.0,,,,,,0.0,,,
COC(=O)c1c(C)oc2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc12,CID983571,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1c(C)oc2ccc(OC(=O)c3ccccc3OC)cc12,CID2891738,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1c(C)oc2ccc(OC(=O)c3ccc(C)cc3)cc12,CID854900,,,,,,0.0,,,,,,,,,,,
CC(C)(C)OC(=O)NCCc1nnc(SCC(=O)c2ccc(Cl)cc2)o1,CID666187,0.0,0.0,,0.0,0.0,,,,0.0,,0.0,,,,0.0,,
NCCCCCc1nnc(SCC(=O)c2ccc(Cl)cc2)o1,CID666173,0.0,,,,0.0,,,,,,,,,,,0.0,
CC(NC(=O)OC(C)(C)C)c1nnc(SCC(=O)c2ccc(Cl)cc2)o1,CID5390044,,,,,,0.0,,,,,,,0.0,,,,
CC(=O)Nc1ccc(C(=O)CSc2nnc(C)o2)cc1,CID2222374,0.0,0.0,,,,0.0,,0.0,0.0,0.0,,,,,,0.0,0.0
CCOC(=O)c1cnn(-c2ncnc3sc(C)c(C)c23)c1N,CID705884,,,,,,0.0,,,,0.0,,,0.0,,,0.0,
CCOC(=O)c1cnn(-c2ncnc3sc(CC)cc23)c1N,CID780661,,,0.0,,,,,,,,,,,,,,
CCc1cc2c(-n3nc(C)cc3C)ncnc2s1,CID750246,,,,,,,,,,0.0,0.0,0.0,,,,,
Cc1cc(C)n(-c2ncnc3sc(C)c(C)c23)n1,CID659414,,0.0,,,,,,,,,0.0,,,,,,
COc1ccc(NC(=O)C2CCCNC2)cc1OCC(C)C,CID2885830,,,,,,,,0.0,,,0.0,,,,,,0.0
COC(=O)c1ccccc1NC(=O)C1CCCN(S(C)(=O)=O)C1,CID2974644,,,,,,,,0.0,,,,,0.0,,,0.0,
CC(=O)c1cccc(NC(=O)C2CCCN(S(C)(=O)=O)C2)c1,CID2975826,,0.0,,,,,,,,,,,,,,,
Cc1cccc(C)c1NC(=O)C1CCCNC1,CID652497,0.0,,,,,,0.0,0.0,,,,,,,0.0,,
CSC1=N/C(=C\c2ccc(C)o2)C(=O)S1,CID750661,,,0.0,,,,,,,,,,0.0,,,0.0,
CSC1=N/C(=C\c2ccc(Br)o2)C(=O)S1,CID2234851,,,,,,,,,1.0,,,,,,,,
C=CCSC1=N/C(=C\c2ccc(C)o2)C(=O)S1,CID2297167,,,,,0.0,,,,,,,,0.0,,,,
CCCSC1=N/C(=C\c2ccc([N+](=O)[O-])o2)C(=O)S1,CID2183366,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc2occ(C(=O)c3cccs3)c2c1,CID620971,,,,,,,,,,0.0,,,,0.0,,,
CC(=O)Oc1ccc2occ(C(=O)c3cccs3)c2c1,CID674266,0.0,,,0.0,,,,0.0,0.0,,,,,0.0,,,
O=C(CCl)Oc1ccc2occ(C(=O)c3cccs3)c2c1,CID689970,,,,,,,,,,,,,,0.0,,,
O=C(c1cccs1)c1coc2ccc(O)cc12,CID674272,,,,,,0.0,,,,0.0,,,,,,,
O=C(O)c1cc2c(ccc3ccccc32)o1,CID751538,,,0.0,,,,,,,,,,0.0,,,,
O=C(O)Cc1coc2ccc3ccccc3c12,CID1315810,,,,,,,,,,,,,,0.0,,,
COCCCNC(=O)Cc1coc2ccc3ccccc3c12,CID1983387,,,,,,,,,,,,,,0.0,,,
C/C(N)=C(/C#N)C(=O)COC(=O)Cc1coc2ccc3ccccc3c12,CID6281308,,,,,,,,,,,,,,0.0,,,
COc1cc(C=O)ccc1OCCSc1ccc(C)cc1,CID2184087,,,,,,,,,,,,,,0.0,,,
CCOc1cc(C=O)ccc1OCCSc1ccc(C)cc1,CID2188092,,,,,,,,,,,,,,0.0,,,
NC(=S)N/N=C/c1ccccc1OCCSc1ccc(Cl)cc1,CID2274639,,,,,,,,,,,,,,0.0,0.0,,
COc1cc(C=O)ccc1OCCSc1ccc(Cl)cc1,CID2219714,,,,,,,,,,,,,,0.0,,,
CCCN1CCN(C(c2cc3cc(OC)ccc3[nH]c2=O)c2nnnn2C2CCCCC2)CC1,CID647510,,,,,,,,,,0.0,0.0,,,,,,
CCCN1CCN(C(c2cc3cc(OCC)ccc3[nH]c2=O)c2nnnn2C2CCCCC2)CC1,CID648087,,,0.0,,,,,,,,,,,,,,0.0
CCOc1ccc2[nH]c(=O)c(C(c3nnnn3C3CCCCC3)N3CCN(C)CC3)cc2c1,CID650600,,0.0,,,,,,,,,,,,,,,0.0
CCOc1ccc2[nH]c(=O)c(C(c3nnnn3C3CCCCC3)N3CCN(CC)CC3)cc2c1,CID647311,,,,,,,,,,0.0,,,,,0.0,,
Cc1ccc(NC(=O)C2C(=O)N(CCO)C3(C)CC2c2ccccc2O3)cc1,CID3242676,,,,0.0,,,,,,,0.0,,,,,,
COc1ccc(NC(=O)C2C(=O)NC3(C)CC2c2ccccc2O3)cc1,CID3239630,,,,,,,,,,0.0,,0.0,,,,,0.0
CCN1C(=O)C(C(=O)Nc2ccc(OC)cc2)C2CC1(C)Oc1ccccc12,CID3238217,,,,,0.0,,,,,,,,,,,,0.0
COc1ccc(NC(=O)C2C(=O)N(C)C3(C)CC2c2ccccc2O3)cc1,CID3238909,,,,,0.0,,,0.0,,0.0,0.0,0.0,,,,,0.0
COc1ccc(S(=O)(=O)N(CCCN2CCCC2=O)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1,CID655682,,,,,0.0,,,,,,,0.0,,,,,0.0
COc1ccc(S(=O)(=O)N(CCCN2CCCC2=O)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1,CID647375,,,,0.0,0.0,0.0,0.0,,,0.0,0.0,0.0,,,,,0.0
COc1ccc(S(=O)(=O)N(CCCN2CCCC2=O)Cc2cc3cc(C)c(C)cc3[nH]c2=O)cc1,CID656137,,,0.0,,0.0,0.0,,,,0.0,,,0.0,,,,0.0
Cc1ccc(S(=O)(=O)N(CCCN2CCCC2=O)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1,CID3203401,,,,,,0.0,,,,,,,,0.0,,,
CCn1cc(C(=O)N2CCOCC2)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21,CID5309747,,,,,,,,,,0.0,,,,,,,
CCN(CC)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)N1CCOCC1)cn2C,CID3236340,,,,0.0,,,,,,,,,,,,,
CCc1cccc2c(=O)c(C(=O)N3CCOCC3)c[nH]c12,CID645886,,,,,,,,,,,,,0.0,,,,
CN(C)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)N1CCOCC1)cn2C,CID5309858,,0.0,,,,,,0.0,,,,,,,,,
CCOC(=O)c1c(NC(=O)COC(=O)Cn2cnc3ccccc32)sc(C)c1C,CID2395685,,,,,,,,,,0.0,,,0.0,,,,0.0
COC(=O)c1c(NC(=O)COC(=O)Cn2cnc3ccccc32)sc(C)c1C,CID2395688,,0.0,0.0,0.0,,,0.0,0.0,0.0,0.0,,,,,,,0.0
CCOC(=O)c1c(NC(=O)COC(=O)Cn2c(C(F)(F)F)nc3ccccc32)sc(C)c1C,CID4264682,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1sc(NC(=O)COC(=O)Cn2cnc3ccccc32)c(C(=O)OCC)c1C,CID2998019,,0.0,,,,,0.0,0.0,,,,,,,,,
CCn1c(SCC(=O)Nc2nc3ccc(OC)cc3s2)nnc1-c1ccoc1C,CID654897,0.0,0.0,,,0.0,,0.0,,,0.0,0.0,,0.0,,,0.0,0.0
COCCn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1ccoc1C,CID3213876,,,,,,,,,0.0,,0.0,,,,,,
COCCCn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1ccoc1C,CID3213877,,,,,,,,,0.0,,0.0,,,,,,
COc1ccc2nc(NC(=O)CSc3nnc(-c4ccoc4C)n3C)sc2c1,CID646449,0.0,,,0.0,0.0,0.0,0.0,,0.0,0.0,0.0,,,,,,
COc1ccc(NC(=O)COC(=O)CCCc2c[nH]c3ccccc23)cc1,CID2355328,,,,,,,,,0.0,,0.0,0.0,,,,,
CCOc1ccc(NC(=O)COC(=O)CCCc2c[nH]c3ccccc23)cc1,CID2423156,,,,,,0.0,,,0.0,0.0,,0.0,,,,,
COc1cccc(NC(=O)COC(=O)CCCc2c[nH]c3ccccc23)c1,CID2434594,,,,,,,,,0.0,,,0.0,,,,,
NS(=O)(=O)c1cccc(NC(=O)COC(=O)CCCc2c[nH]c3ccccc23)c1,CID3263630,,,,,,,,,,,,,,0.0,,,
COc1cc(NC(=O)Cc2ccc(Cl)cc2)ccc1NC(=O)c1ccco1,CID1047583,0.0,0.0,,0.0,,0.0,,0.0,,0.0,,,,,,0.0,0.0
CCOc1cc(NC(=O)c2ccco2)c(OCC)cc1NC(=O)Cc1ccc(OC)c(OC)c1,CID653462,,,0.0,,,,,0.0,,0.0,,,,,,0.0,
CCOc1cc(NC(=O)c2ccco2)c(OCC)cc1NC(=O)Cc1cccc(OC)c1,CID645700,,,0.0,,,,,,,,,,,,,,
COc1cc(NC(=O)Cc2ccccc2)ccc1NC(=O)c1ccco1,CID1227033,0.0,,,,,,0.0,,0.0,,,,,,,,
COc1cc(/C=C2\SC(c3ccc(C)cc3)=NC2=O)ccc1O,CID2253319,,,,,,,,,,,,,,0.0,,,
COc1cc(/C=C2\SC(c3ccc(C)cc3)=NC2=O)cc(OC)c1OC,CID2253313,,,,,,,,,,,,,,0.0,,,
COc1cc(/C=C2\SC(c3ccc(C)cc3)=NC2=O)cc(OC)c1O,CID2253255,,,,,,,,,,,,,,0.0,,,
COc1ccc(/C=C2\SC(c3ccc(C)cc3)=NC2=O)cc1OC,CID1730304,,,,,,,,,,,,,,0.0,,,
COc1ccc(NC(=O)NCCCN2CCCC2=O)c(OC)c1,CID2211335,,,,,,,,,0.0,,,,,,,,
O=C(NCCCN1CCCC1=O)Nc1ccc(F)c(Cl)c1,CID2205202,,,,,,,,,,0.0,,,,,,,
O=C(NCCCN1CCCC1=O)Nc1ccc(Cl)cc1,CID2054166,0.0,0.0,,0.0,,,0.0,,,,,,,,,0.0,0.0
COc1ccc(NC(=O)NCCCN2CCCC2=O)cc1,CID2215682,,0.0,,,,,0.0,0.0,0.0,,,,,,,,
CCOc1ccc(-n2c(N)c(C(=O)NCc3cccnc3)sc2=S)cc1,CID1308427,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-n2c(N)c(C(=O)NCc3cccnc3)sc2=S)cc1,CID1300595,,,,,,0.0,,,0.0,0.0,,,,,,,
COc1ccc(-n2c(N)c(C(=O)NCc3cccnc3)sc2=S)cc1,CID1545968,,,,,,0.0,,,0.0,,,0.0,,,,,
Nc1c(C(=O)NCc2cccnc2)sc(=S)n1-c1ccccc1,CID698207,0.0,,0.0,0.0,,0.0,,,,0.0,,,0.0,,,,
COc1ccc(S(=O)(=O)n2nc(OC(=O)c3cccs3)cc2N)cc1,CID3240114,,,,0.0,0.0,,,,,,,,1.0,,,,
Cc1ccc(S(=O)(=O)n2nc(OC(=O)c3cccs3)cc2N)cc1,CID646525,,0.0,,0.0,0.0,0.0,0.0,,,,,,,1.0,,,
Nc1cc(OC(=O)c2cccs2)nn1S(=O)(=O)c1ccc(F)cc1,CID3241895,,,,,0.0,,0.0,,,,,,,1.0,,,
Nc1cc(OC(=O)c2cccs2)nn1S(=O)(=O)c1ccccc1,CID3243128,,0.0,,,0.0,,0.0,,,,,,,,0.0,,
C=C1c2cc(CC)ccc2NC(=O)N1c1ccc(C)cc1,CID894041,0.0,,,,0.0,0.0,,,,,,,0.0,,,,
C=C1c2ccc(C)cc2NC(=O)N1c1cccc(Cl)c1,CID919881,,,,,,0.0,,,,,,,,,,,
C=C1c2ccccc2NC(=O)N1c1ccc(C)cc1,CID744399,,,,,,,,,,0.0,,0.0,,,,,
C=C1c2ccc(C)cc2NC(=O)N1c1ccccc1,CID876691,,,,,,,0.0,,,0.0,0.0,0.0,0.0,,,0.0,
COc1ccc(N2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3CCCc3ccccc3)CC2)cc1,CID660657,0.0,,,,,,,,,,,,,,,,0.0
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(c3cccc(Cl)c3)CC1)n2CCCc1ccccc1,CID660758,0.0,,0.0,,,,,,,,,,0.0,,,,
COc1ccc(N2CCN(c3nc4c(c(=O)n(C)c(=O)n4C)n3CCCc3ccccc3)CC2)cc1,CID664288,,,,,,,,,,0.0,,,,,,0.0,
Cn1c(=O)c2c(nc(N3CCN(c4ccccc4)CC3)n2CCCc2ccccc2)n(C)c1=O,CID659411,0.0,,0.0,,,,,,,0.0,,,,,,,
O=C(CSCc1ccc(F)cc1)N1CCOCC1,CID5045199,,,,,,,,,,,,0.0,,,,,
O=C(CSCc1ccc(Br)cc1)N1CCOCC1,CID848426,,,,,,,,,0.0,,,,,,,0.0,
Cc1ccc(CSCC(=O)N2CCOCC2)cc1,CID775100,,,,,,0.0,,,,,,,,,,,
O=C(CSCc1cccc(Br)c1)N1CCOCC1,CID3731453,0.0,,,,,,,,,,,,,,,0.0,0.0
C/C(CCc1oc2ccccc2c1-c1ccc(C)o1)=N\O,CID652809,,0.0,,0.0,,,,,,0.0,0.0,,,,,,0.0
CC(=O)CCc1oc2ccc(NC(C)=O)cc2c1-c1ccc(C)o1,CID2751443,,,,0.0,,0.0,0.0,,,,,,0.0,,0.0,0.0,
C/C(CCc1oc2ccc(Cl)cc2c1-c1ccc(C)o1)=N\O,CID799493,,,,,,,,,,0.0,,,,0.0,,,
C/C(CCc1oc2c(Br)cc(Br)cc2c1-c1ccc(C)o1)=N\O,CID1118046,,,,,,,,,,,,0.0,,,,,
Nc1c(C(=O)NCC2CCCO2)c2nc3ccccc3nc2n1-c1ccccc1,CID2998398,,0.0,0.0,,,0.0,,,,,,,,,,0.0,
COc1ccccc1-n1c(N)c(C(=O)NCC2CCCO2)c2nc3ccccc3nc21,CID661629,,,0.0,0.0,,,0.0,0.0,,,,,,,,,0.0
COc1ccc(OC)c(-n2c(N)c(C(=O)NCC3CCCO3)c3nc4ccccc4nc32)c1,CID2999554,,,0.0,,,,,,,,,,,,,,0.0
COc1ccc(-n2c(N)c(C(=O)NCC3CCCO3)c3nc4ccccc4nc32)c(OC)c1,CID659067,,,,,,,,,0.0,,,,,,,,0.0
COc1ccc2[nH]c(=O)c(CN(C(=O)c3cccnc3)c3ccccc3OC)cc2c1,CID664096,0.0,0.0,0.0,,0.0,,0.0,,0.0,0.0,,0.0,,,,,0.0
COc1ccc2[nH]c(=O)c(CN(C(=O)c3cccnc3)c3ccc(C)cc3)cc2c1,CID1391706,,,,,,,,,0.0,0.0,,,,,,,
COc1ccc2[nH]c(=O)c(CN(C(=O)c3cccnc3)c3ccccc3)cc2c1,CID1397611,,,,,,,,,0.0,,0.0,0.0,,,,,
COc1ccc(N(Cc2cc3cc(OC)ccc3[nH]c2=O)C(=O)c2cccnc2)cc1,CID665215,0.0,0.0,0.0,,,,,0.0,0.0,,0.0,0.0,0.0,,,,
COc1ccc(OC)c(NC(=O)C2C3C=CC(C3)C2C(=O)NCc2ccccn2)c1,CID651515,,,,0.0,,,,,,,,,,,,,0.0
O=C(NCc1ccccn1)C1C2C=CC(C2)C1C(=O)Nc1ccc(F)cc1,CID3171613,,,,,,,,,,0.0,,,,,,,
Cc1cccc(C)c1NC(=O)C1C2C=CC(C2)C1C(=O)NCc1ccccn1,CID3171612,,,,,,,,,,,,,,,0.0,,
COc1ccc(NC(=O)C2C3C=CC(C3)C2C(=O)NCc2ccccn2)c(OC)c1,CID3171616,,,,,,,,,,,0.0,,,,,,
Cc1ccc(S(=O)(=O)NC2=NC(=O)/C(=C\c3ccco3)S2)cc1,CID1724180,,,,,,,,,,,,,,0.0,,,
COc1ccc(S(=O)(=O)NC2=NC(=O)/C(=C\c3ccco3)S2)cc1,CID1912790,,,,,,,,,,,,,,0.0,,,
COc1ccc(S(=O)(=O)NC2=NC(=O)/C(=C/c3ccco3)S2)cc1,CID1912789,,,,,,,,,,,,,,0.0,,,
CC(=O)Nc1ccc(S(=O)(=O)NC2=NC(=O)/C(=C\c3ccco3)S2)cc1,CID2267260,,,,,,,,,,,,,,0.0,,,
COc1cc(NC(=O)c2ccco2)c(OC)cc1NC(=O)CCC(=O)Nc1cccc(C)c1C,CID655603,0.0,,,,,0.0,,,,,,,,,,,
COc1cc(NC(=O)c2ccco2)c(OC)cc1NC(=O)CCC(=O)Nc1cc(C)ccc1C,CID655272,,,,,,,,0.0,,,,,,,,,
COc1cc(NC(=O)c2ccco2)c(OC)cc1NC(=O)CCC(=O)Nc1ccccc1C,CID644690,0.0,,0.0,,,,,0.0,,,,,,,,,
COc1cc(NC(=O)c2ccco2)c(OC)cc1NC(=O)CCC(=O)Nc1cc(C)cc(C)c1,CID651457,0.0,,,,,,,,,,,,0.0,0.0,,,
C=CCOC(=O)/C(=C/c1ccco1)NC(=O)/C=C/c1ccccc1,CID2296268,,,,,,0.0,,,,,0.0,,,,,,
O=C(/C=C/c1ccccc1)N/C(=C\c1ccco1)C(=O)NCCO,CID5735286,,,,,,,,,,,,,,,0.0,,
CCNC(=O)/C(=C/c1ccco1)NC(=O)/C=C/c1ccccc1,CID2296037,,,,,,0.0,,,,,,0.0,,,,,
CC(C)CCOC(=O)/C(=C/c1ccco1)NC(=O)/C=C/c1ccccc1,CID1882353,,,,,,,,,0.0,,,,,,,,
CC1CCN(S(=O)(=O)c2cccc(C(=O)NCc3cccs3)c2)CC1,CID653928,,,,,0.0,,,,0.0,0.0,0.0,,0.0,0.0,0.0,,
O=C(NCc1cccs1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl,CID1087751,,,,,,,,,0.0,,,,,0.0,,,
O=C(NCc1cccs1)c1cccc(S(=O)(=O)N2CCCCC2)c1,CID1107139,,0.0,,0.0,0.0,,,,0.0,,0.0,,,,0.0,,
Cc1ccc(C(=O)NCc2cccs2)cc1S(=O)(=O)N1CCCCC1,CID1217154,,,0.0,,0.0,,0.0,,0.0,0.0,,,0.0,,,,
CCOc1ccc(-c2cc(C(=O)N3CCN(C)CC3)c3ccccc3n2)cc1,CID1540951,0.0,,0.0,,,,,,,,,,0.0,,,,0.0
CC(C)Oc1cccc(-c2cc(C(=O)N3CCN(S(C)(=O)=O)CC3)c3ccccc3n2)c1,CID1261736,,,,,0.0,,0.0,,,,0.0,,,,,,
CS(=O)(=O)N1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1,CID1261952,,,,,,0.0,,,,,,,,,,,
CCOC(=O)N1CCN(C(=O)c2cc(-c3ccc(OCC)cc3)nc3ccccc23)CC1,CID3237815,0.0,,,,0.0,,,,0.0,,,0.0,,,,,
COc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)cc1,CID3235798,,,0.0,,,,,,,,,,,,,0.0,0.0
Cc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)cc1,CID3236394,,,,,,,0.0,,,,,,0.0,,,,0.0
COc1ccccc1CNC(=O)c1ccc(NS(=O)(=O)c2c(C)noc2C)cc1,CID3237355,,,,0.0,,0.0,,0.0,,,,,0.0,,,,
Cc1noc(C)c1S(=O)(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1,CID3245618,,,,,,,,0.0,,,,,0.0,,,0.0,
O=C(O)c1ccc(NCc2ccc3c(c2)OCO3)cc1,CID763016,,,,0.0,,,0.0,,0.0,0.0,,,,,0.0,0.0,0.0
Cc1cc(C)cc(NCc2cc3c(cc2[N+](=O)[O-])OCO3)c1,CID871264,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1ccc(NCc2ccc3c(c2)OCO3)cc1,CID3238214,,,0.0,,,0.0,0.0,,,,0.0,,,,0.0,,
COc1ccc(NCc2ccc3c(c2)OCO3)cc1Cl,CID755962,0.0,,,,,,,,,,,,,,,0.0,
CC(=O)c1cc(-c2nc3ccccc3n2C)n(C)c1,CID976892,,0.0,0.0,,,,,,,,,,,,0.0,0.0,
CCCC(=O)c1cc(-c2nc3ccccc3n2C)n(C)c1,CID976899,0.0,0.0,,0.0,,,0.0,,,,,0.0,,,,0.0,
Cn1cc([N+](=O)[O-])cc1-c1nc2ccccc2n1C,CID5343676,,,,,,0.0,,,,,,,,,,,
CCC(=O)c1cc(-c2nc3ccccc3n2C)n(C)c1,CID873995,0.0,0.0,,,,,,,,,,,0.0,,,,0.0
C=CCN1C(=O)/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)SC1=S,CID2261853,,,,,,0.0,,,,,,,,,,,
O=C(O)CN1C(=O)/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)SC1=S,CID5342351,,,,,,0.0,,,,,,,,,,,
O=C1NC(=S)S/C1=C\c1ccccc1OCc1ccc(Cl)cc1,CID1205904,,,,,,0.0,,,,,,,,,,,
C=CCN1C(=O)/C(=C/c2ccccc2OCc2ccccc2Cl)SC1=S,CID2262294,,,,,,0.0,,,,,,,,,,,
COc1ccc(CNC(=O)C2CC(C)=C(C)CC2C(=O)O)cc1,CID2931294,,,,,,,,,,0.0,,,,,,,
COc1ccc(CNC(=O)C2CC=CCC2C(=O)O)cc1OC,CID2965103,,,0.0,,,,,,,,,,,,,,
O=C(O)C1CC=CCC1C(=O)NCc1ccccc1,CID621132,,,0.0,0.0,,,,,,0.0,0.0,,,,,,0.0
O=C(O)C1CC=C(Cl)CC1C(=O)NCc1ccccc1,CID2937188,,0.0,,,,,,,,0.0,,,,,,0.0,0.0
CCC(C)(C(=O)NC1CCCC1)N(C(C)=O)c1ccc(C)cc1,CID3409215,,,,,,,,,,,0.0,,,,,,
CCC(C)(C(=O)NC1CCCC1)N(C(=O)CNC(C)=O)c1ccc(C)cc1,CID3240359,,,,,0.0,,,,,,,,,,,,
CCC(C)(C(=O)NC1CCCC1)N(C(=O)CNC(C)=O)c1ccccc1,CID3242259,,,,,0.0,,,,0.0,,,,,,,,
CS(=O)(=O)N(CC(=O)NC1CCCC1)c1cccc(F)c1,CID894153,,,,,,,,,,,0.0,0.0,,,,,0.0
COc1ccc(S(=O)(=O)N2Cc3ccccc3CC2C(=O)Nc2nccs2)cc1,CID3149456,,,,,,0.0,,,,,,,,,,,
O=C(Nc1nccs1)C1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1,CID2905832,,,,,,0.0,,,,,,0.0,,0.0,,,
COc1ccc(S(=O)(=O)N2Cc3ccccc3CC2C(=O)Nc2nccs2)cc1OC,CID2948316,,,,,0.0,,,,0.0,,0.0,,0.0,,,,
COc1ccc(OC)c(S(=O)(=O)N2Cc3ccccc3CC2C(=O)Nc2nccs2)c1,CID2968490,,,,,0.0,,0.0,,,,,,0.0,,,0.0,0.0
Cc1ccc(S(=O)(=O)/N=C(\CSC(N)=O)Nc2ccccc2)cc1,CID2872498,,,,,,,,,0.0,0.0,,,,,0.0,,
Cc1ccc(N/C(CSC(N)=O)=N/S(=O)(=O)c2ccccc2)cc1,CID1626929,,,,,,,,,,0.0,,,,,,,
Cc1ccc(N/C(CSC(N)=O)=N/S(=O)(=O)c2ccc(C)cc2)cc1,CID2142172,,,,,,,,,,0.0,,,,,,,
NC(=O)SC/C(=N\S(=O)(=O)c1ccccc1)Nc1ccccc1,CID1626931,,,,,0.0,,,,0.0,,,,0.0,,,,
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccsc3)C2=O)cc1C,CID2275796,,,,,,,,,,,,,,0.0,,,
O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccsc1,CID2276050,,,,,,,,,,,,,,0.0,0.0,,
O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccsc1,CID2276243,,,,,,,,,,,,,,0.0,,,
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccsc3)C2=O)cc1,CID2180881,,,,,,,,,,,,,,0.0,,,
Cc1cccc(-c2noc(C3CCCCC3)n2)c1,CID889651,,,0.0,,,,,,0.0,,,,,,,,
Cc1ccccc1-c1noc(C2CCCCC2)n1,CID3274111,,,,,,,,,,0.0,,,,,,,
Brc1ccc(-c2noc(C3CCCCC3)n2)cc1,CID867106,,,,,,,,,,,,,,,0.0,,
Cc1ccc(-c2noc(C3CCCCC3)n2)cc1,CID867104,,,,,,0.0,,,,,,,,,0.0,,
COc1ccc(CNC(=O)c2c(O)n3c4c(cccc4c2=O)CCC3)cc1OC,CID1153524,0.0,0.0,0.0,,,,0.0,,0.0,0.0,,,,,,,
O=C(NCc1ccccc1)c1c(O)n2c3c(cccc3c1=O)CCC2,CID652317,0.0,,0.0,,,,0.0,,,,,0.0,0.0,,,,0.0
COc1ccc(CNC(=O)c2c(O)n3c4c(cccc4c2=O)CCC3)cc1,CID655671,0.0,,,,,,0.0,,0.0,,,,,,,,
O=C(NCc1ccc(F)cc1)c1c(O)n2c3c(cccc3c1=O)CCC2,CID645524,,,,0.0,,,,0.0,,,,,,,,,
Cc1onc(-c2ccccc2)c1C(=O)NCCc1ccc(Cl)cc1,CID2078310,,,,,,,,,,,,,,0.0,,,
COc1ccc(CCNC(=O)c2c(-c3ccccc3)noc2C)cc1OC,CID1241138,0.0,,0.0,,,,,,0.0,0.0,,,,0.0,,,
Cc1onc(-c2ccccc2)c1C(=O)NCCc1ccc(S(N)(=O)=O)cc1,CID1164509,,,,,,,,,,,,,,0.0,0.0,,
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCc1ccc(S(N)(=O)=O)cc1,CID1245722,0.0,,,0.0,,,,,0.0,,0.0,0.0,,,,,
CCn1c(C(O)c2ccc3c(c2)OCO3)nc2ccccc21,CID626557,,,0.0,,0.0,,,,,0.0,0.0,,,,,0.0,0.0
Cn1c(C(O)c2ccc3c(c2)OCO3)nc2ccccc21,CID2859403,,,,,0.0,,,0.0,,,,,0.0,,,,0.0
CCCn1c(C(O)c2ccc3c(c2)OCO3)nc2ccccc21,CID628206,,0.0,,,0.0,0.0,,,,,0.0,,,,,,0.0
CC(C)n1c(C(O)c2ccc3c(c2)OCO3)nc2ccccc21,CID2858965,0.0,,,,0.0,0.0,,,,,0.0,,,,,,0.0
CCCn1c(SCC(=O)Nc2cc(C)on2)nc2c1c(=O)n(C)c(=O)n2C,CID650308,,,,,,,0.0,0.0,,,,,,,,,
Cc1cc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C(C)C)no1,CID644952,,,,,,,0.0,,,,,,0.0,,,,
CCCCn1c(SCC(=O)Nc2cc(C)on2)nc2c1c(=O)n(C)c(=O)n2C,CID655096,,0.0,,0.0,,,,,,0.0,,,0.0,,,,
CCn1c(SCC(=O)Nc2cc(C)on2)nc2c1c(=O)n(C)c(=O)n2C,CID654603,,0.0,,0.0,,,,,,,,,0.0,,,,
COc1cc(OC)cc(C(=O)OCC(=O)Nc2ccc(N3CCCCC3)cc2)c1,CID2106730,,,,,,,,,0.0,,,,,,,,
O=C(COC(=O)c1ccc(O)cc1)Nc1ccc(N2CCCCC2)cc1,CID3647398,,,,,,0.0,,,,,,,,,0.0,,
Cc1cccc(C(=O)OCC(=O)Nc2ccc(N3CCCCC3)cc2)c1O,CID2416361,,,,,,,,,,0.0,,0.0,,,,,0.0
CNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccc(N3CCCCC3)cc2)c1,CID2129018,,,,,,,,,,,,,,0.0,0.0,,
Cc1cccc2c1N(CCCOc1ccccc1)C(=O)C2=O,CID2141782,,,,,,0.0,,,0.0,,0.0,,,,0.0,,
Cc1ccccc1OCCCN1C(=O)C(=O)c2cccc(C)c21,CID2141781,,,,,,,,,0.0,0.0,0.0,,0.0,,0.0,,
Cc1ccc(OCCCN2C(=O)C(=O)c3cc(C)ccc32)cc1,CID2141772,,,,,,,,,,,,,,0.0,,,
Cc1cccc2c1N(CCCOc1ccc(C(C)(C)C)cc1)C(=O)C2=O,CID3372218,,,,,,0.0,,,,,,,,,,,
CCN(CC)C(=O)N1CCC(NC(=O)Cc2ccccc2)CC1,CID651885,,,,,,,,,0.0,,,0.0,0.0,,,,
CN1CCC(NC(=O)Cc2c(F)cccc2Cl)CC1,CID2712694,,,,0.0,,,0.0,,,,,,,,,0.0,0.0
COc1ccc(CC(=O)NC2CC(C)(C)NC(C)(C)C2)cc1,CID845215,,,,,,,,,,,0.0,,,,,,
CS(=O)(=O)N1CCC(NC(=O)Cc2ccccc2)CC1,CID654591,,0.0,0.0,,,,0.0,,,,,,,,,,
O=C(C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CCOCC1,CID1327341,,,,,,,0.0,,,,0.0,0.0,,,,,
COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCOCC3)CC2)cc1,CID1075569,,,,,,,,,,,,,,,,0.0,
COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCOCC3)CC2)cc1OC,CID1327421,,,,,,,,0.0,,,,,0.0,,,0.0,
O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCOCC1,CID802533,,,,,,,,,,0.0,,,,0.0,,,
Cc1ccc(C(=O)NCCn2cc(SCC(=O)Nc3nnc(C)s3)c3ccccc32)cc1,CID4437210,,,,,0.0,,,,,,,,,,,0.0,
COc1ccc(C(=O)NCCn2cc(SCC(=O)Nc3nnc(C)s3)c3ccccc32)cc1,CID3243243,,0.0,,,,,,,0.0,,,,,,0.0,,
Cc1nnc(NC(=O)CSc2cn(CCNC(=O)c3ccccc3)c3ccccc23)s1,CID4070655,,0.0,,,0.0,,,,,,,,,,,0.0,
COc1ccccc1C(=O)NCCn1cc(SCC(=O)Nc2nnc(C)s2)c2ccccc21,CID3244268,,0.0,0.0,,,0.0,,,,,,,0.0,,,0.0,0.0
Cc1ccc(-c2ccc(=O)n(CC(=O)NCCCN3CCCCC3)n2)cc1,CID3241030,,,,,,0.0,,0.0,,,,,,,,,
CCC1CCCCN1CCCNC(=O)Cn1nc(-c2ccccc2)ccc1=O,CID3237638,,,,,,,,0.0,,,,0.0,,,,,0.0
Cc1ccc(-c2ccc(=O)n(CC(=O)NCCCN3CCCCC3C)n2)cc1,CID3242590,,0.0,,,,,,,,,,,,,,,0.0
CCC1CCCCN1CCCNC(=O)Cn1nc(-c2ccc(C)cc2)ccc1=O,CID3243131,,,,,,0.0,,,,,0.0,,,,,0.0,
CCN1C(=O)/C(=C\c2ccco2)C(C(=O)OC)=C1C,CID2300736,,,,,,,,,,,,,,0.0,,,
C=CCN1C(=O)/C(=C\c2ccco2)C(C(=O)OC)=C1C,CID2270699,,,,,,,,,,,,,,,0.0,,
COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1ccco1,CID2274273,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccco1,CID1922801,,,,,,0.0,,,,,,,,,,,
CC1=NN(C(=O)c2ccc(Cl)cc2)C(O)(c2ccc(Cl)cc2)C1,CID2884878,,,,,,0.0,,,,,,,,,,,
COC(=O)C1=NN(C(=O)c2ccc(Cl)cc2)C(O)(c2ccccc2)C1,CID2858902,,,,,,,,,,,,0.0,,0.0,,,
COC(=O)C1=NN(C(=O)c2ccc(C)cc2)C(O)(c2ccc(Cl)cc2)C1,CID2884425,,,,,,0.0,,,,,,,,,,,
CC1=NN(C(=O)c2ccc(Br)cc2)C(O)(c2ccccc2)C1,CID2884136,,,,,,,,,,,,,,,0.0,,
CCCNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C,CID9551302,,,,,,0.0,,,,,,,,,,,
COCCCNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C,CID3244505,,,,,0.0,,,0.0,,,,,,,,0.0,
CCCCN(C)C(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C,CID9550513,,,,,,0.0,,,,,,0.0,,,,,
CCCCNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C,CID9550107,,,,,,,,,,0.0,,,,,,,
CCOC(=O)C1=C(N)c2ccccc2CC1C(C)C,CID657603,,,,,,,0.0,,,0.0,,,,,,,
O/N=C/C1=C(Cl)c2ccccc2CC1,CID2739680,,,,,,,,,,,,,,,0.0,,
CC1(C)Cc2ccccc2C(N)=C1C#N,CID2842471,,,,,,,,0.0,,,,0.0,,,,,
CCC1(CC)Cc2ccccc2C(N)=C1C#N,CID2964268,,,,0.0,,,,,,0.0,,,,,,,
COCCCn1c2nc3ccccc3nc2c2c(=O)n(Cc3ccc(Cl)cc3)cnc21,CID661731,,,,,,,0.0,,,,,,,,,,
CCO/C(C)=N/n1c2nc3ccccc3nc2c2c(=O)n(Cc3ccccc3Cl)c(C)nc21,CID662068,,,0.0,,,,0.0,,,,0.0,,,,,,
COCCCn1c2nc3ccccc3nc2c2c(=O)n(Cc3ccc(Cl)cc3)c(C)nc21,CID662006,,,,,,,,,,,,,0.0,,,,
COCCCn1c2nc3ccccc3nc2c2c(=O)n(Cc3ccccc3Cl)cnc21,CID661735,,,,,,,0.0,,,,,,0.0,,,,
Cc1ccc(CNC(=O)c2cc3c(=O)n4ccccc4nc3n(CC3CCCO3)c2=N)cc1,CID662285,,,0.0,0.0,,,,,,,0.0,,,,,,
Cc1ccc(CNC(=O)c2cc3c(=O)n4cccc(C)c4nc3n(CC3CCCO3)c2=N)cc1,CID662090,,,0.0,,,,,,,,0.0,,0.0,,,,
COc1ccc(CNC(=O)c2cc3c(=O)n4ccccc4nc3n(CC3CCCO3)c2=N)cc1,CID662425,,,0.0,,,,,,,0.0,,,,,,,
N=c1c(C(=O)NCc2ccc(F)cc2)cc2c(=O)n3ccccc3nc2n1CC1CCCO1,CID664390,,,,0.0,,,,,,,,,,,,,
CC(=O)Nc1ccc(N/C=C2\N=C(c3ccc(C)cc3)OC2=O)cc1,CID5771420,,,,,,,,0.0,,,,,,,,,
CSc1ccccc1N/C=C1\N=C(c2ccccc2)OC1=O,CID5310789,,,0.0,,,1.0,0.0,,,,,,,,,,
CN(C)c1ccc(N/C=C2\N=C(c3ccccc3)OC2=O)cc1,CID5378674,,,,0.0,,,,1.0,,,,,,,,,
O=C1OC(c2ccccc2)=N/C1=C\Nc1ccccc1,CID5369672,,,,,,0.0,,,,,0.0,,,,,,
O=C(CCN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1c(F)cc(F)cc1Br,CID3244980,0.0,,,,,,,,,,,,,,,,
O=C(CCN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1ccccc1F,CID3235979,,,,,,,,0.0,,,,,,,,,0.0
Cc1cc(NC(=O)CCN2C(=O)C3C4C=CC(C4)C3C2=O)ccc1Br,CID16193206,,,,,,,,,,,,,,0.0,,,
O=C(CCN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1ccc(F)cc1,CID3239586,,0.0,,,,,0.0,,,0.0,,,0.0,,,,
N/C(=N\c1nc2ccccc2o1)NC(=O)c1ccccc1,CID9550078,,,,,,0.0,,,,,0.0,,,,,,
COc1ccc(C(=O)N/C(N)=N/c2nc3ccccc3o2)cc1,CID9579593,,0.0,0.0,,,,,0.0,,,0.0,,,,,,
N/C(=N\c1nc2ccccc2o1)NC(=O)c1ccccc1F,CID9551757,,,,,,,,,0.0,,,,,,,,
CC(C)(C)c1ccc(C(=O)N/C(N)=N/c2nc3ccccc3o2)cc1,CID5729425,,,,,,,,,,,0.0,,,,,,
COc1ccc(NC(=O)COc2ccc(/C=N/n3c(C)nnc3C)cc2OC)cc1,CID2124020,,,,,,0.0,,,,,,0.0,,,,,
COc1ccccc1NC(=O)COc1ccc(/C=N/n2cnnc2)cc1OC,CID1323136,,,,,,,,0.0,,,,0.0,,0.0,,,
CCOc1cc(/C=N/n2cnnc2)ccc1OCC(=O)Nc1ccccc1OC,CID1329457,0.0,,,,,,,0.0,,,,0.0,,,,,
Cc1cccc(NC(=O)COc2ccc(/C=N/n3cnnc3)cc2)c1,CID800260,,,,,,,,,,,,,,,0.0,,
N#CCCN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CCCCC3)cc2)CC1,CID4117902,,0.0,,,0.0,,,,,,,,,,,,
CC1CCCCC1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(CCC#N)CC2)cc1,CID5307430,,0.0,,,,,,,,,,,,,,0.0,
CN(C1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(CCC#N)CC2)cc1,CID5308506,,0.0,,,,,0.0,,,,0.0,,,,,0.0,
CCN(C1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(CCC#N)CC2)cc1,CID5307625,,,,,,,,,,,0.0,,,,,,
CC(C)CNC(=O)c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1,CID842867,,,,,,,,,,0.0,,,,,,,
O=C(O)c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1,CID845435,,,,,,,,,,,,,,,,,0.0
CCOC(=O)c1cnn2c(C(F)F)cc(C3CC3)nc12,CID843507,,,,0.0,,,,,,,,,,,,,0.0
CC1(c2cc(C(F)(F)F)n3nc(C(=O)O)cc3n2)CC1,CID3145956,,,,,,,,,0.0,,,,,,,,
CS(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1)C1CCCCC1,CID989289,,,,,,,,,,,,,,,0.0,,
Cc1ccc(CNC(=O)CN(C2CCCCC2)S(C)(=O)=O)cc1,CID848396,,,,,,,,,0.0,,,0.0,,,,,
CN(Cc1ccccc1)C(=O)CN(C1CCCCC1)S(C)(=O)=O,CID954160,,0.0,,0.0,,,0.0,,0.0,,,0.0,,,,,0.0
CS(=O)(=O)N(CC(=O)NCc1ccccc1)C1CCCCC1,CID963779,,,,,,,,,0.0,,0.0,,,,,,
COc1ccc(S(=O)(=O)N2CCCN(CC(=O)Nc3ccc(OC)c(Cl)c3)CC2)cc1,CID3244475,0.0,,,,0.0,,,,,,0.0,,0.0,0.0,0.0,,
COc1ccc(S(=O)(=O)N2CCCN(CC(=O)Nc3cc(NC(C)=O)ccc3OC)CC2)cc1,CID3244957,,,,0.0,0.0,,,,,,,,,,,,
O=C(CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1ccccc1Br,CID3241474,0.0,,,,,,,,0.0,,,,,,,0.0,
COc1ccc(NC(=O)CN2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1,CID7283871,,,,,,,,,0.0,,,,,,,,
Cc1cc(OCc2nnc(SCC(=O)OC3CCCCC3)o2)ccc1Cl,CID649683,0.0,,0.0,0.0,0.0,0.0,,,,,,0.0,,,,,
Cc1cc(C)cc(OCc2nnc(SCC(=O)OC3CCCCC3)o2)c1,CID646743,0.0,,,0.0,,,,,,,0.0,,,0.0,,,0.0
Cc1cccc(OCc2nnc(SCC(=O)OC3CCCCC3)o2)c1,CID648403,0.0,,0.0,,,0.0,,0.0,,0.0,0.0,,0.0,,,,
O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)OC1CCCCC1,CID654617,0.0,0.0,,0.0,0.0,,,,,,,,0.0,,0.0,,0.0
CC(C)C(=O)Nc1nnc(CCN2CCCCC2)s1,CID1399018,,,,,,0.0,,,,0.0,0.0,,,,,,
CC(=O)Nc1nnc(CCN2CCCCC2)s1,CID2039148,,,,,,,,,0.0,0.0,0.0,0.0,,,,,
Nc1nnc(CCN2CCCCC2)s1,CID649952,,0.0,,,,,,,,,,,,,,,
CCCC(=O)Nc1nnc(CCN2CCCCC2)s1,CID1624767,,,,,,,,,,0.0,0.0,0.0,,,,,
COc1ccc(-c2nnc3ccc(SCC(=O)N4CCN(c5ccccc5)CC4)nn23)cc1OC,CID3239780,0.0,,0.0,,,,,,,,0.0,,0.0,,,0.0,
O=C(CSc1ccc2nnc(-c3ccccc3)n2n1)N1CCN(c2ccccc2)CC1,CID5310381,,,,,,,,,,,,,0.0,,,,
COc1ccc(-c2nnc3ccc(SCC(=O)N4CCN(c5ccccc5)CC4)nn23)cc1,CID3243934,,0.0,,,0.0,,,,,,,,,,,0.0,
CCOc1ccc(-c2nnc3ccc(SCC(=O)N4CCN(c5ccccc5)CC4)nn23)cc1,CID3241206,0.0,,,,,,,,,,0.0,,,,,,
CCN1C(=O)/C(=C2\C=Cc3ccccc3N2CC)OC1=S,CID3098234,0.0,,,0.0,,,,0.0,,,,0.0,,,,,
CCN1C(=O)/C(=C2\C=Cc3cc(C)ccc3N2CC)OC1=S,CID1721589,,,,,,,,,,,,0.0,,0.0,,,
CCN1C(=O)/C(=C2/C=Cc3ccccc3N2C)OC1=S,CID2179329,,,,,,,,,,,,0.0,,0.0,,,
CCN1/C(=C2\OC(=S)N(C)C2=O)C=Cc2ccccc21,CID2259972,,,,,,,,,,,,,,,0.0,,
Cc1ccc(NC(=O)C2CCN(C(=O)NC3CCCCC3)CC2)cc1,CID857398,,,,,,,,,,,0.0,0.0,,,0.0,,
Cc1ccc(NC(=O)C2CCN(C(=O)NC3CCCCC3)CC2)cc1Cl,CID647917,0.0,,,,,,0.0,,,,,,0.0,,,,0.0
Cc1ccc(NC(=O)C2CCN(C(=O)NC3CCCCC3)CC2)c(C)c1,CID3216082,,,,,,,,,,,,0.0,,,,,
COc1ccc(NC(=O)C2CCN(C(=O)NC3CCCCC3)CC2)c(OC)c1,CID647160,0.0,,0.0,,,,0.0,,,,,,,,,,0.0
CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)NCc1ccco1,CID1157609,,,,,,,,,,,,,,,0.0,,
COC(=O)c1ccc(CNC(=O)CSc2nnc(COc3ccccc3)n2C)o1,CID990902,,,0.0,,,,,0.0,,,0.0,,0.0,,,,0.0
COc1cccc(OCc2nnc(SCC(=O)NCc3ccco3)n2C)c1,CID1172545,,,,,,0.0,,,,,0.0,,,,,,
Cc1ccc(OCc2nnc(SCC(=O)NCc3ccco3)n2C)cc1,CID1176589,,,,,,,,,0.0,,0.0,,,,,,
CCCc1cc(N2CCCC(C(=O)Nc3ccc(OC)cc3OC)C2)n2ncnc2n1,CID651723,0.0,0.0,,,,,,,,0.0,,,,,,,
COc1ccc(Cl)cc1NC(=O)C1CCCN(c2cc(C)nc3ncnn23)C1,CID648764,0.0,,0.0,,,,0.0,,,,,,,,,,
CCCc1cc(N2CCCC(C(=O)Nc3c(OC)cccc3OC)C2)n2ncnc2n1,CID650441,,0.0,,,,,,,,0.0,,,0.0,,,,
CCCc1cc(N2CCCC(C(=O)Nc3cc(Cl)ccc3OC)C2)n2ncnc2n1,CID655505,,,,,,,0.0,,,0.0,,,,,,,
Cc1cc(N)n(-c2cc(C)c3ccccc3n2)n1,CID722331,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1cnn(-c2cc(C)c3ccccc3n2)c1N,CID732237,,0.0,,,,,0.0,,,0.0,,,0.0,0.0,,,
CCOC(=O)c1cnn(-c2cc(C)c3cc(C)cc(C)c3n2)c1N,CID2998306,,,0.0,,,,,,,,0.0,,,,,0.0,
Cc1cc(C)n(-c2ccc3cccc(NS(C)(=O)=O)c3n2)n1,CID885036,,0.0,,0.0,,0.0,,0.0,,0.0,,0.0,0.0,,,,
CC(C)N1C(=O)CCC1C(=O)NCCc1ccccc1,CID3241916,,,0.0,,0.0,0.0,,,,,0.0,,,,,,0.0
Cc1ccc(CCNC(=O)C2CCC(=O)N2C(C)C)cc1,CID3241628,,,0.0,,0.0,,,,,0.0,,,,,,,0.0
CC(C)N1C(=O)CCC1C(=O)NCCc1ccc(Cl)cc1,CID3429042,0.0,,0.0,0.0,,,,,,,,,,0.0,,0.0,
COc1ccc(CCNC(=O)C2(C)CCC(=O)N2CCC(C)C)cc1OC,CID5308050,,0.0,,,,,,,,,,,,,,,0.0
CCOC(=O)C1CCCN(C(=O)CSCc2ccccc2)C1,CID2940330,,,,,,,,,0.0,,,,,0.0,,,
O=C(CSCc1ccc(Cl)cc1)N1CCCCC1,CID875589,,,,,,,,,,0.0,,,,0.0,,,
NC(=O)C1CCN(C(=O)CSCc2ccccc2Cl)CC1,CID654242,0.0,,,0.0,,,,,,,,,,,0.0,,
CC1CCN(C(=O)CSCc2ccc(Cl)cc2)CC1,CID882512,,,,,,,,,,0.0,,,,0.0,,,
COc1ccc(-c2nnc(SCC(=O)NCc3cccs3)n2C(C)C)cc1,CID2599287,,,,,,,,,0.0,,0.0,,,0.0,0.0,,
COCCn1c(SCC(=O)NCc2cccs2)nnc1-c1ccc(OC)cc1,CID647446,0.0,0.0,,,0.0,0.0,,,0.0,0.0,,,0.0,,0.0,0.0,
COc1ccc(-c2nnc(SCC(=O)NCc3cccs3)n2CC(C)C)cc1,CID2611874,,,,,,,,,0.0,0.0,,0.0,,0.0,0.0,,
COc1ccc(-c2nnc(SCC(=O)NCc3cccs3)n2C)cc1,CID1166019,,,,,,,,,0.0,0.0,,,,,,,
COc1cc(C)ccc1OCCON1C(=O)CCC1=O,CID2221477,,,,,,,,,,,,,,,0.0,,
O=C1CCC(=O)N1OCCOc1ccccc1,CID2221383,,,,,,,,,,,,,,0.0,0.0,,
C=CCc1cc(OC)ccc1OCCON1C(=O)CCC1=O,CID2221377,,,,,,,0.0,0.0,,,,,,0.0,,,
C=CCc1cccc(Cl)c1OCCON1C(=O)CCC1=O,CID2221646,,,,,,,,,,,,,,0.0,,,
COC(=O)CSc1nnc(-c2cccc(NC(=O)c3ccc(C)cc3)c2)n1C,CID660385,0.0,,0.0,,,,0.0,,,,,,,,,0.0,0.0
Cn1c(SCC(=O)NC(C)(C)C)nnc1-c1cccc(NC(=O)c2ccccc2F)c1,CID2185008,,,,,,,,,,0.0,0.0,,,,,,
Cc1ccccc1C(=O)Nc1cccc(-c2nnc(SCC(=O)O)n2C)c1,CID660543,,,,,,,,0.0,,,,,,,,0.0,
COc1cc(C(=O)Nc2cccc(-c3nncn3C)c2)cc(OC)c1OC,CID606794,0.0,,,0.0,,,,0.0,0.0,,,,,,,,
O=C(CCN1C(=O)C2C3C=CC(C3)C2C1=O)N1CCN(c2ccccc2Cl)CC1,CID3244234,,,,,,,,,0.0,,,,,,,,
O=C(CCN1C(=O)C2C3C=CC(C3)C2C1=O)N1CCN(c2ccccc2F)CC1,CID3240868,,,,,,,,,,,,,,,,,0.0
O=C(CCN1C(=O)C2C3C=CC(C3)C2C1=O)N1CCN(c2ccc(F)cc2)CC1,CID3242204,,,,,,,,,,,,,0.0,,,,
O=C(CCN1C(=O)C2C3C=CC(C3)C2C1=O)N1CCN(c2cccc(Cl)c2)CC1,CID3239993,,0.0,,,,,0.0,,,,,0.0,0.0,,,,
O=c1cc(CN2CCN(CCO)CC2)c2cc3c(cc2o1)CCC3,CID666715,0.0,,0.0,,,,,0.0,,,,,0.0,,,,
CCOC(=O)N1CCN(Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1,CID664181,,,,,,,0.0,,0.0,,,0.0,,,,,0.0
CCN1CCN(Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1,CID666298,,,,,0.0,,,,,0.0,,0.0,0.0,,,,0.0
CN1CCN(Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1,CID666280,,,0.0,,0.0,,,,,0.0,,,,,,,0.0
O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N1CCN(c2ccccc2)CC1,CID2899799,,,,,,,,,,,0.0,0.0,,,,,
COc1ccc(N2CCN(C(=O)CN(c3ccccc3)S(=O)(=O)c3ccc(OC)cc3)CC2)cc1,CID2915349,,,,,,,,,,,0.0,,,,,,
COc1ccccc1N1CCN(C(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)CC1,CID1105044,,,0.0,,0.0,,,,,,,0.0,,,,,
COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccccc3OC)CC2)c2ccccc2)cc1,CID2896277,,,0.0,0.0,0.0,,,0.0,,,,,0.0,,,,
CCCN(CCC)C1=N/C(=C\c2ccco2)C(=O)N1c1ccccc1,CID1816002,,,,,,,,,,,,0.0,,,,,
COc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2SCC(=O)NC(C)(C)C)cc1Cl,CID2415026,,,,,,,,,,,,,,0.0,,,
COc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2SCC(=O)NC(C)C)cc1Cl,CID2607822,,,,,,,,,,,,,,,0.0,,
CC(C)N(C1=N/C(=C\c2ccco2)C(=O)N1c1ccccc1)C(C)C,CID1816006,,,,,,,,,,,,0.0,,,,,
CCC(c1nnnn1Cc1ccc2c(c1)OCO2)N1CCN(c2ccc(F)cc2)CC1,CID648059,,,0.0,,,,,,,,,,,,,,
CC(C)C(c1nnnn1Cc1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1,CID652000,,,,,,0.0,,,,,0.0,,,,0.0,,
CCC(c1nnnn1Cc1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1,CID654432,,0.0,0.0,,,,,,,0.0,0.0,,,,,,
CCC(c1nnnn1Cc1ccc2c(c1)OCO2)N1CCN(c2ccc(OC)cc2)CC1,CID649584,0.0,,,0.0,,,,,,,0.0,,,,,,
COc1cccc(-c2csc(N3CCN(C(=S)Nc4cccc(C)c4)CC3)n2)c1,CID1447686,,,,,,,,,,,,,,0.0,,,
COc1cccc(-c2csc(N3CCN(C(=S)Nc4ccccc4)CC3)n2)c1,CID1447683,,,,,,0.0,,,,,,,,0.0,,,
COc1ccccc1NC(=S)N1CCN(c2nc(-c3ccccc3)cs2)CC1,CID1447417,,,,,,,,,,,,,,0.0,,,
COc1cccc(-c2csc(N3CCN(C(=S)Nc4ccccc4OC)CC3)n2)c1,CID3223663,,,,,,0.0,,,,,,,,,0.0,,
COc1ccc(C)cc1NC(=O)CSc1nc(SC)ns1,CID1259153,,,,0.0,0.0,,,,0.0,,,,,0.0,,,
CSc1nsc(SCC(=O)Nc2cccc(C(C)=O)c2)n1,CID667304,,,,,0.0,,,,0.0,,,,,0.0,0.0,,
CSc1nsc(SCC(=O)Nc2ccc(C(C)=O)cc2)n1,CID2712498,,,,,,,,,0.0,,,,,0.0,,,
CCOC(=O)c1ccc(NC(=O)CSc2nc(SC)ns2)cc1,CID2222528,,,0.0,,0.0,,,,0.0,,,0.0,0.0,,,,
CCOCCCNc1ncc2c(n1)CC(c1ccc(C)cc1)CC2=O,CID667326,,0.0,,,0.0,0.0,,,,,,,0.0,,,,
Nc1ncc2c(n1)CC(c1ccccc1)CC2=O,CID2772388,,,,,,0.0,,,,,,,,,,,
COc1ccc(C2CC(=O)c3cnc(N)nc3C2)c(OC)c1,CID664965,,,,0.0,,,,0.0,,,,0.0,,,,,
CC(C)OCCCNc1ncc2c(n1)CC(c1ccc(N(C)C)cc1)CC2=O,CID666483,,,0.0,0.0,,0.0,,0.0,,,,,0.0,,,,
CC(=O)Oc1ccc(/C=c2/sc3nc(-c4ccc(C(C)(C)C)cc4)nn3c2=O)cc1,CID1908304,,,,,,0.0,,,,,,,,,,,
COc1ccccc1/C=c1\sc2nc(-c3ccccc3OC)nn2c1=O,CID3427605,,,,,,0.0,,,,,,,,0.0,,,
COc1ccc(/C=c2\sc3nc(-c4ccc(Cl)cc4Cl)nn3c2=O)cc1,CID1335038,,,,,,0.0,,,,,,,,,,,
CN(C)c1ccc(/C=c2\sc3nc(-c4ccccc4)nn3c2=O)cc1,CID3239003,0.0,0.0,,,0.0,,,,,0.0,0.0,,,,,0.0,
CSC1=C(C#N)C(c2ccccc2Cl)C2=C(N1)c1ccccc1C2=O,CID3487142,,,,,,0.0,,,,,,,,,,,
COc1ccc(C2C(C#N)=C(C)NC3=C2C(=O)c2ccccc23)cc1,CID660206,,,,,0.0,,,0.0,,0.0,,,,,,,0.0
COc1cc(C2C(C#N)=C(C)NC3=C2C(=O)c2ccccc23)cc(OC)c1OC,CID660965,,,,,0.0,,0.0,0.0,,,,0.0,,,,,0.0
CC1=C([N+](=O)[O-])C(c2ccccc2)C2=C(N1)c1ccccc1C2=O,CID3554733,,,,,,,,,,,,,,,0.0,,
Cc1ccc2c(c1)N(CC(=O)NCc1cccs1)C(=O)CO2,CID645769,,,0.0,,0.0,0.0,,0.0,,,,,,,,,
CCC1Oc2ccc(C)cc2N(CC(=O)NCc2cccs2)C1=O,CID3155042,,,,,,,,,,,,,,,0.0,,
Cc1ccc2c(c1)N(CC(=O)NCc1cccs1)C(=O)C(C)O2,CID3225034,,,,,,,,,,,,0.0,,,,,
CC1Oc2ccccc2N(CC(=O)NCc2cccs2)C1=O,CID655269,,0.0,,,0.0,,0.0,0.0,,0.0,,,,,,,
O=C(CCN1CCc2ccccc2C1)Nc1ccccc1F,CID740149,,0.0,,,,,,0.0,,,,,0.0,,,,
O=C(CCN1CCc2ccccc2C1)Nc1ccccc1,CID772512,,,,0.0,,,,,,,,0.0,,,,0.0,
O=C(CCN1CCc2ccccc2C1)Nc1ccc(F)cc1,CID771381,,,0.0,0.0,,,,,,,,,,,,,
O=C(CCN1CCc2ccccc2C1)Nc1cccc(F)c1,CID771469,,,,0.0,,,,0.0,,,,,,,,,
CCn1c(COc2ccccc2C)nnc1SCC(=O)CC(=O)Nc1ccccc1OC,CID650760,0.0,,0.0,,,,,0.0,,,0.0,,0.0,,,0.0,0.0
CCn1c(COc2ccccc2)nnc1SCC(=O)CC(=O)Nc1ccccc1OC,CID646832,0.0,,,,,0.0,,,,,,,0.0,,,,0.0
CCn1c(COc2cccc(C)c2)nnc1SCC(=O)CC(=O)Nc1ccccc1OC,CID655516,0.0,,,,,,,,,,0.0,,,,,0.0,0.0
CCn1c(COc2ccccc2C)nnc1SCC(=O)CC(=O)Nc1ccccc1,CID644718,0.0,,,,,0.0,,0.0,,,0.0,0.0,,,,0.0,
CCCCC(=O)Nc1ccc2oc(-c3ccncc3)nc2c1,CID1849635,,,0.0,,0.0,,,,0.0,0.0,0.0,,,,0.0,,
CCCCCC(=O)Nc1ccc2oc(-c3ccncc3)nc2c1,CID659819,0.0,0.0,0.0,,0.0,,0.0,0.0,0.0,,,0.0,0.0,,0.0,,
CCCC(=O)Nc1ccc2oc(-c3ccncc3)nc2c1,CID652465,0.0,,0.0,,,0.0,,,0.0,,,,,0.0,,,
CC(C)CC(=O)Nc1ccc2oc(-c3ccncc3)nc2c1,CID659689,,0.0,0.0,,0.0,,,,0.0,,0.0,0.0,,,,,0.0
Cc1cccc(-n2ncc3c(N4CCCC4)ncnc32)c1,CID876594,,0.0,,,,,,,,,,,,,,,
c1ccc(-n2ncc3c(N4CCCC4)ncnc32)cc1,CID661192,,0.0,,0.0,,,,,0.0,,,0.0,,,,,
Cc1ccc(-n2ncc3c(N4CCCC4)ncnc32)c(C)c1,CID661122,,,0.0,,,,,,,,,0.0,,,,,
Clc1ccc(-n2ncc3c(N4CCCC4)ncnc32)cc1,CID661189,,0.0,,,,,0.0,,,,,,,,,,
CCOC(=O)C1CCN(C(=O)Cn2cc(C(=O)c3ccco3)c3ccccc32)CC1,CID2228841,,,0.0,,0.0,,0.0,,0.0,0.0,,,,,0.0,,
CC1CCN(C(=O)Cn2cc(C(=O)c3ccco3)c3ccccc32)CC1,CID656007,0.0,,,,,,0.0,,,,,,0.0,0.0,,,
CC1CCCCN1C(=O)Cn1cc(C(=O)c2ccco2)c2ccccc21,CID2964527,0.0,,0.0,,0.0,,,,0.0,,,,0.0,,,,
O=C(c1ccco1)c1cn(CC(=O)N2CCCCC2)c2ccccc12,CID650745,0.0,,,,,,,,0.0,,,,0.0,0.0,0.0,,
COc1ccc(Nc2ccc(-c3ccccc3F)nn2)c(OC)c1,CID653238,,,0.0,,,,,0.0,,,,,,,,,
COc1cc(Nc2ccc(-c3ccccc3C)nn2)cc(OC)c1OC,CID654211,0.0,,0.0,0.0,,,,,,,,0.0,0.0,,,,0.0
COc1ccccc1-c1ccc(Nc2cccc(C(C)=O)c2)nn1,CID644406,,0.0,0.0,,,,0.0,,0.0,,0.0,,0.0,,,,
COc1ccccc1-c1ccc(Nc2cccc(C(F)(F)F)c2)nn1,CID6411208,,,,,,,,,,,,0.0,,,,,
CC(C)CCNC(=O)NC(=O)CN1C(=O)NC2(CCCCC2)C1=O,CID2998058,,,,,,,,0.0,,,,,,,,,
O=C(CCl)NN1C(=O)NC2(CCCCC2)C1=O,CID3796108,,,,,,,,,,,,,,,0.0,,
C=CCC1CCCCC12NC(=O)NC2=O,CID2830491,,,0.0,0.0,,,0.0,,,0.0,,,,,,,
C=CCN1C(=O)NC2(CCCCC2)C1=O,CID120432,,,,0.0,,,0.0,0.0,,,,,0.0,,,0.0,
Cc1ccccc1Cn1c2ccccc2c2cn[nH]c(=O)c21,CID3243495,0.0,,0.0,,0.0,,,0.0,,,,,,,,,
O=c1[nH]ncc2c3ccccc3n(Cc3ccccc3)c12,CID3243057,,,,,,,,0.0,,,,,,,,,0.0
O=c1[nH]ncc2c3ccccc3n(Cc3ccccc3F)c12,CID3240018,,,,0.0,,,,,,,,,,,,,0.0
O=c1[nH]ncc2c3ccccc3n(Cc3ccc(F)cc3)c12,CID3239226,,0.0,,,,,,0.0,,,,0.0,,,,,0.0
CCOC(=O)c1cnn(-c2nc3c(C)cccc3s2)c1C,CID1818824,,,,,,,,,,,,0.0,,,0.0,,
COC(=O)c1cnn(-c2nc3c(C)cccc3s2)c1C,CID850531,,,,,,,,,,,,0.0,,,,,
CN(C)/C=N/c1c(C#N)cnn1-c1nc2ccccc2s1,CID2998883,,,0.0,,0.0,0.0,,,,,,,,,,,
Cc1cc(C)n(-c2nc3ccccc3s2)n1,CID32030,,,,,,,,,,,,,,,0.0,,
O=C(Cn1cnc2c(nnn2Cc2ccccc2F)c1=O)NCC1CCCO1,CID3241894,,,,0.0,,,,,,,,,,,,,
O=C(Cn1cnc2c(nnn2Cc2ccccc2)c1=O)NCC1CCCO1,CID5310018,,,0.0,,,,,,,0.0,,,0.0,,,,
Cc1ccc(Cn2nnc3c(=O)n(CC(=O)NCC4CCCO4)cnc32)cc1,CID3244483,,0.0,,,,,,,,,,,,,,,
O=C(Cn1cnc2c(nnn2Cc2ccc(F)cc2)c1=O)NCC1CCCO1,CID3242518,,0.0,,0.0,,,,,,,,,,,,,
Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc3c(c2)OCO3)cc1,CID3237658,,,,,,0.0,,0.0,,0.0,,,,,,,
COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc3c(c2)OCO3)cc1,CID3242419,,,,,,,0.0,,,,,,,,,,
O=C(Nc1c(C(=O)Nc2cccc(F)c2)oc2ccccc12)c1ccc2c(c1)OCO2,CID3238933,,,,,,0.0,,,,,,,,,,,
COc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc3c(c2)OCO3)c1,CID3241755,,,,0.0,,,,,,0.0,,,0.0,,,,
Cc1ccc(C(=O)COc2nc(C)cc(C)c2C#N)cc1,CID951167,,,,,,0.0,,,0.0,0.0,,,,0.0,,,
COc1ccc(C(=O)COc2nc(C)cc(C)c2C#N)cc1,CID950785,,,,,,0.0,,,0.0,,,,,,0.0,,
Cc1cc(C)c(C#N)c(OCC(=O)c2ccc(Br)cc2)n1,CID1869593,,,,,,,,,0.0,,0.0,0.0,,,0.0,,
Cc1cc(C)c(C#N)c(OCC(=O)c2ccccc2)n1,CID661430,0.0,,0.0,,,0.0,,,0.0,,,,,,0.0,0.0,
Cc1ccc(C(=O)CC2(O)C(=O)N(C)c3ccccc32)o1,CID4528467,,,0.0,,,,,0.0,,,,,,,,,
CCOC(=O)CN1C(=O)C(O)(CC(=O)c2ccco2)c2ccccc21,CID2885014,,,,,,0.0,,0.0,,,,,,,0.0,,
CCCCN1C(=O)C(O)(CC(=O)c2ccco2)c2cc(Br)ccc21,CID2949878,0.0,,,,,,,,0.0,,,,,,0.0,,
COC(=O)CN1C(=O)C(O)(CC(=O)c2ccc(C)o2)c2ccccc21,CID2945501,,,,,,,0.0,0.0,,,,,,,,,
COc1cc(OC)c(OC)cc1CNCCc1ccc(OC)c(OC)c1,CID2168867,,,,,,,0.0,,,,0.0,,,,,,
COc1ccc(CCNCc2ccc(OC)c(OC)c2OC)cc1,CID2168876,,,,,,,,,,0.0,0.0,,,,,,
COc1ccc(CCN(C)Cc2c(F)cccc2F)cc1OC,CID782082,,,,,,,0.0,,,,,,,,,,0.0
COc1ccc(CCNCc2ccc(F)cc2)cc1OC,CID2063790,,,,,,,,,,,0.0,,,,0.0,,
Cc1cc2cc(CNS(=O)(=O)c3ccccc3)ccc2n1C,CID5084783,0.0,,,,0.0,,,0.0,,,,,,,,0.0,
COc1ccc(S(=O)(=O)NCc2ccc3c(c2)cc(C)n3C)cc1,CID4155588,0.0,,0.0,,,,,0.0,,,,0.0,0.0,,,,
CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc3[nH]c(C)cc3c2)cc1,CID3591680,,,,,,,,,,,0.0,,,,,,
CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc3c(c2)cc(C)n3C)cc1,CID4299391,,,,,0.0,0.0,,0.0,,,,,0.0,,,0.0,
Brc1cccc(Cn2c(-c3cncs3)nc3ccccc32)c1,CID1017006,,,,,,,,,0.0,,0.0,,,,,,
Brc1ccccc1Cn1c(-c2cncs2)nc2ccccc21,CID1044988,,,,,,,0.0,,0.0,,0.0,,,0.0,,,0.0
Brc1ccc(Cn2c(-c3cncs3)nc3ccccc32)cc1,CID1007660,,,,,,,,,0.0,,0.0,,,0.0,,,
Cc1ccccc1Cn1c(-c2cncs2)nc2ccccc21,CID656217,0.0,0.0,,,,0.0,,,,,,,,,,,0.0
O=C(Nc1nc2ccc(Cl)cc2s1)C1CCCN1C(=O)c1cccs1,CID2559767,,,,,,,,,,,,,,,0.0,,
CCN(C(=O)C1CCCN1C(=O)c1cccs1)c1nc2cc(Cl)ccc2s1,CID2461074,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc2nc(NC(=O)C3CCCN3C(=O)c3cccs3)sc2c1,CID2093203,,,,,,,,,,,,,,,0.0,,
Cc1cccc2sc(NC(=O)C3CCCN3C(=O)c3cccs3)nc12,CID2650204,,,,,,,,,,,,,,0.0,,,
CC(=O)c1cc2c(cc1NC(=O)CCc1ccccc1)OCO2,CID650223,,,,0.0,,,0.0,,0.0,0.0,0.0,,0.0,,,0.0,0.0
CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc3c(c2)OCO3)cc1,CID647864,,,,,0.0,,,0.0,,,,,0.0,,,,
CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc3c(c2)OCO3)cc1,CID1090604,,,,,,,,,,,,0.0,,,,,
CC(C)CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc3c(c2)OCO3)cc1,CID2200896,,,,,,,,,,,,,0.0,,,,
COCCn1c(C)nc2oc3ccc(Br)cc3c(=O)c2c1=O,CID666693,0.0,,,,,,,,0.0,,,0.0,,,,,
COCCCn1c(C(C)C)nc2oc3cc(OC)ccc3c(=O)c2c1=O,CID667085,,0.0,,,,,,,,,,,0.0,,,0.0,
COCCn1c(C(C)C)nc2oc3ccccc3c(=O)c2c1=O,CID666376,,,0.0,,,0.0,,0.0,,,,,,,,,
CCc1nc2oc3ccccc3c(=O)c2c(=O)n1CCOC,CID666226,,,,,,0.0,,,,,,,,0.0,,,
COc1ccc(N2CCN(CC(=O)Nc3nc4c(s3)CC(C)CC4)CC2)cc1,CID662449,0.0,,,0.0,,,,,,,,,,,0.0,0.0,0.0
CC1CCc2nc(NC(=O)CN3CCN(c4ccc(F)cc4)CC3)sc2C1,CID3332606,,,,,,,,,0.0,,0.0,,,,,,
CC1CCc2nc(NC(=O)CN3CCN(c4ccccc4)CC3)sc2C1,CID667090,,0.0,,,,,,0.0,,,0.0,,,,0.0,0.0,
COc1cccc(N2CCN(CC(=O)Nc3nc4c(s3)CC(C)CC4)CC2)c1,CID662484,,,,0.0,,,,,,,,,,,,0.0,
CCOc1ccc(C2=Nn3c(nnc3-c3cccnc3)SC2)cc1,CID662445,0.0,,0.0,,0.0,,,,,,,,,,,,
COc1ccc(C2=Nn3c(nnc3-c3cccnc3)SC2)cc1,CID662866,0.0,,,,0.0,,,,,,,,,,,,
COc1ccc(C2=Nn3c(nnc3-c3cccnc3)SC2)cc1OC,CID662480,,,,,0.0,0.0,,0.0,,0.0,0.0,,,,,,
c1ccc(C2=Nn3c(nnc3-c3cccnc3)SC2)cc1,CID662553,0.0,0.0,,,0.0,,0.0,,,,,,0.0,,0.0,,
Clc1ccccc1CSc1nnc(-c2cccnc2)n1Cc1ccco1,CID663119,,0.0,,,0.0,,,,,,,0.0,,,,,
Fc1ccc(CSc2nnc(-c3cccnc3)n2Cc2ccco2)cc1,CID662653,,,,,0.0,,,,,,,,,,,,
Clc1cccc(CSc2nnc(-c3cccnc3)n2Cc2ccco2)c1,CID662270,0.0,,0.0,0.0,0.0,,,,,,,0.0,,,,,0.0
Clc1ccc(CSc2nnc(-c3cccnc3)n2Cc2ccco2)c(Cl)c1,CID662199,,,,,0.0,0.0,,,,,0.0,,,,,,
O=C(CSc1nnc(-c2cnccn2)n1Cc1ccco1)c1ccc(Cl)c(Cl)c1,CID663118,0.0,,,0.0,,,0.0,,,,,,,,,,0.0
O=C(CSc1nnc(-c2cnccn2)n1Cc1ccco1)c1ccc(Cl)cc1,CID662713,0.0,,0.0,,0.0,,,,,,0.0,,,,,,
COc1ccc(C(=O)CSc2nnc(-c3cnccn3)n2Cc2ccco2)cc1,CID663000,0.0,,,,,0.0,,,,,,,,,,0.0,0.0
O=C(CSc1nnc(-c2cnccn2)n1Cc1ccco1)c1ccccc1,CID663127,0.0,,,,0.0,0.0,,,,,0.0,,,,,0.0,
Cc1ccc(-c2nc(NC(=O)CSc3nnc(C)s3)ns2)cc1,CID4054025,,,,0.0,0.0,,,,,,,,,,,,
Cc1nnc(SCC(=O)Nc2nsc(-c3ccccc3)n2)s1,CID2059696,,,,,0.0,,,,0.0,,,0.0,,,,,
COc1ccc(-c2nc(NC(=O)CSc3nnc(C)s3)ns2)cc1,CID2215370,,,0.0,,0.0,,,,0.0,,,0.0,,,,,
Cc1nnc(SCC(=O)Nc2nsc(-c3ccc(Cl)cc3)n2)s1,CID2200465,,,,,,,,,0.0,,,,,,0.0,,
Cc1cc(C)c2c(n1)nn1c(N3CCN(c4ccccc4C)CC3)cc(C)nc21,CID666069,,,,,,,0.0,,,,,,,,,,
Cc1cc(C)c2c(n1)nn1c(N3CCN(c4ccccc4)CC3)cc(C)nc21,CID666845,,0.0,0.0,,,,,,,,,,,,0.0,,
Cc1cc(C)c2c(n1)nn1c(N3CCN(c4cccc(Cl)c4)CC3)cc(C)nc21,CID666807,0.0,,0.0,,,,,,,,,,0.0,,,,
Cc1ccc(N2CCN(c3cc(C)nc4c5c(C)cc(C)nc5nn34)CC2)cc1,CID666099,,,0.0,0.0,,,,,,,,,,,,,
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)C23C(=O)N(C)c2ccccc23)o1,CID664460,,,,,,,,0.0,,,,,0.0,,,,
CCCN1C(=O)C2(C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCCN2CCOCC2)c2ccccc21,CID663621,,,,,,,,0.0,,,,,,,0.0,,
CCN1C(=O)C2(C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCCN2CCOCC2)c2ccccc21,CID663990,,,,,,,,,,,0.0,,,,,,
C=CCN1C(=O)C2(C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCCN2CCOCC2)c2ccccc21,CID664744,,,,,,,,0.0,0.0,,,,0.0,,0.0,,
COc1cccc(-c2nc(=S)c3c(n2Cc2ccco2)CCCC3)c1,CID1264593,,,0.0,,,,0.0,0.0,,,,,,,,,
S=c1nc(-c2ccccc2)n(Cc2ccco2)c2c1CCCC2,CID726541,0.0,,,,,,0.0,,,,,,,,,0.0,
Cc1ccc(-c2nc(=S)c3c(n2Cc2ccco2)CCCC3)cc1,CID726542,0.0,,,,,,,,,,0.0,,,,,0.0,
Cc1cccc(-c2nc(=S)c3c(n2Cc2ccco2)CCCC3)c1,CID1249348,,,,,,,,,,,,,,0.0,,,
C=CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1c(C)nn(-c2ccccc2)c1Cl,CID647283,0.0,,,,0.0,,,,,,,,0.0,,,,0.0
CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1c(C)nn(-c2ccc(C)cc2)c1Cl,CID645058,,,,,0.0,,,,,,,0.0,,,,0.0,0.0
COC(=O)C1=C(C)OC(N)=C(C#N)C1c1c(C)nn(-c2ccccc2)c1Cl,CID654642,,,,,0.0,,,,,,0.0,0.0,0.0,,,0.0,0.0
CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1c(C)nn(-c2ccccc2)c1Cl,CID646623,,,,,0.0,,0.0,,,,,,,,,0.0,0.0
COc1ccccc1CN(Cc1nc(=O)c2ccccc2[nH]1)C(=O)Nc1ccccc1,CID646779,0.0,0.0,0.0,,,,,,,,,0.0,,,,,0.0
COc1ccccc1CN(Cc1nc(=O)c2ccccc2[nH]1)C(=O)Nc1cccc(C)c1,CID1454147,,,,,,0.0,,,,,,0.0,,,,,
COc1ccccc1CN(Cc1nc(=O)c2ccccc2[nH]1)C(=O)Nc1ccccc1C,CID1454141,,,,,,,,,,,,0.0,,,,,
COc1ccccc1CN(Cc1nc(=O)c2ccccc2[nH]1)C(=O)Nc1ccc(C)cc1,CID1454129,,,,,,,,,,,,0.0,,,,,
CCCn1c(O)c(C(=O)Nc2nnc(C)s2)c(=O)c2ccccc21,CID644730,,,,0.0,,,0.0,0.0,,,,,0.0,,,0.0,
CCCCn1c(O)c(C(=O)Nc2nnc(C(C)C)s2)c(=O)c2ccccc21,CID1719039,,,,,,,,,,,,,,,0.0,,
C=CCn1c(O)c(C(=O)Nc2nnc(C)s2)c(=O)c2ccccc21,CID658673,,0.0,,0.0,,,,,0.0,0.0,0.0,,,,,0.0,
CCCn1c(O)c(C(=O)Nc2nnc(CC)s2)c(=O)c2ccccc21,CID650592,,,,0.0,,,0.0,,0.0,0.0,0.0,,,,,0.0,
N#Cc1c(SCc2ccc(Cl)cc2)sc(C(=O)c2ccccc2)c1N,CID1488089,,,,,,,,,0.0,,,,,0.0,0.0,,
N#Cc1c(SCc2cccc(Cl)c2)sc(C(=O)c2ccccc2)c1N,CID1488088,,,,,,,,,0.0,,,,,,0.0,,
N#Cc1c(SCc2ccccc2)sc(C(=O)c2ccccc2)c1N,CID1488072,,,,,,,,,,0.0,,,,0.0,,,
Cc1ccc(CSc2sc(C(=O)c3ccccc3)c(N)c2C#N)cc1,CID1488087,,,,,,,,,,0.0,,,,,,,
Cc1ccc(C(c2nnnn2CS(=O)(=O)c2ccc(C)cc2)N2CCC(C)CC2)cc1,CID3193556,,,,,,,,,,0.0,,,,,,,
Cc1ccc(C(c2nnnn2CS(=O)(=O)c2ccc(C)cc2)N2CCC(C(N)=O)CC2)cc1,CID649888,,,,,,,,,,,,,0.0,,,,
Cc1ccc(S(=O)(=O)Cn2nnnc2C(c2ccc(F)cc2)N2CCCCC2)cc1,CID650686,0.0,,0.0,,0.0,,,,,,,,,,,0.0,
Cc1ccc(S(=O)(=O)Cn2nnnc2C(c2ccc(F)cc2)N2CCC(C(N)=O)CC2)cc1,CID648980,,,,,,,,,,,0.0,0.0,,,0.0,0.0,0.0
CCOC(=O)c1c(N)sc(C(=O)Nc2ccc3c(c2)OCO3)c1C,CID846401,,,,,0.0,,,,0.0,,,,,,,,
O=C(Nc1ccc2c(c1)OCO2)c1ccc(Cl)s1,CID1245396,,,,,,,,,,0.0,,,,,,,
O=C(Nc1ccc2c(c1)OCO2)c1ccc(Br)s1,CID1225746,0.0,,,,,,,,0.0,,0.0,,,,,0.0,0.0
O=C(Nc1ccc2c(c1)OCO2)c1cccs1,CID692194,,,0.0,,0.0,,,0.0,,,,,,,,,
C=CCN(CC(=O)NCc1ccc(OC)cc1)C(=O)c1csnn1,CID651356,,,,,,,0.0,,0.0,,,0.0,,,0.0,,
C=CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1csnn1,CID3222509,,,,,,,,,,0.0,,,,,,,
CCC(C)N(CC(=O)NCc1ccc(OC)cc1)C(=O)c1csnn1,CID645162,0.0,0.0,,,,,0.0,0.0,0.0,,0.0,,,0.0,,,0.0
C=CCN(CC(=O)NCc1ccccc1)C(=O)c1csnn1,CID651314,,0.0,,0.0,,,,,0.0,0.0,,0.0,0.0,,,,
O=C1c2ccccc2N2C(=O)c3ccccc3C2N1c1ccccc1,CID919001,,,,,,0.0,,,,,,,,,,,
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(c3ccccc3F)C21,CID659230,,,0.0,,,,,,,,,,,,,,
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(c3ccc(F)cc3)C21,CID659352,,,0.0,,,,0.0,,,,,,,,,,
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(c3ccccc3)C21,CID659111,,,,,0.0,,,0.0,0.0,,0.0,0.0,0.0,,,,
Cc1ccccc1-c1nc(CN2CCC(C(=O)O)CC2)c(C)o1,CID5308587,,,,,,0.0,,,,,,,,,,,
CCc1ccc(-c2nc(CN3CCCC(C(=O)O)C3)c(C)o2)cc1,CID5308877,,,,,,,,0.0,,,0.0,,0.0,,,,
CCCN(CCC)CCNC(=O)C1CCN(Cc2nc(-c3ccc(Cl)cc3)oc2C)CC1,CID3240581,,,,,,,,,0.0,,,0.0,0.0,,,,
COc1ccc(-c2nc(CN3CCC(C(=O)NC(C)C)CC3)c(C)o2)cc1OC,CID3243310,0.0,,,,,,,0.0,,,,,,,,,0.0
Cc1nnc(NC(=O)c2ccc3c(c2)C(=O)N(CCC(C)C)C3=O)s1,CID1250927,,,,,,,,,0.0,,,,,,,,
CCc1nnc(NC(=O)c2ccc3c(c2)C(=O)N(CC)C3=O)s1,CID839425,,,,,,,,,0.0,,,0.0,,,,,
CCc1nnc(NC(=O)c2ccc3c(c2)C(=O)N(C(C)(C)C)C3=O)s1,CID1231040,,,,,,0.0,,,0.0,0.0,,,,,,,
CCc1nnc(NC(=O)c2ccc3c(c2)C(=O)N(CC(C)C)C3=O)s1,CID1231039,,,,,,,,,0.0,,,,,,,,
CC(C)CC(C(=O)C(C#N)=C1Nc2ccccc2N1)N1C(=O)c2ccccc2C1=O,CID5310809,,0.0,,,,,,0.0,,,,,0.0,,,,
CC(C(=O)/C(C#N)=C1\Nc2ccccc2N1C)N1C(=O)c2ccccc2C1=O,CID5742494,,,,,,,,,,0.0,,,,,,,
CSCCC(C(=O)C(C#N)=C1Nc2ccccc2N1)N1C(=O)c2ccccc2C1=O,CID5310710,,,,,,,,,,,,,,,,,0.0
N#CC(C(=O)CN1C(=O)c2ccccc2C1=O)=C1Nc2ccccc2N1,CID5310915,,0.0,,,,0.0,,,,,,,,,,,
Cc1cc(NC(=O)CSc2ccccc2)no1,CID700938,,0.0,,,0.0,,0.0,0.0,,,0.0,,0.0,,0.0,,0.0
Cc1cc(NC(=O)CSc2ccc(Cl)cc2)no1,CID676219,,,0.0,0.0,,,0.0,,,0.0,,,,,,,0.0
Cc1ccc(SCC(=O)Nc2cc(C)on2)cc1,CID567549,,,,,,0.0,,,,,,,,,,,
CC(=O)Nc1ccc(SCC(=O)Nc2cc(C)on2)cc1,CID2084474,,,,,,,,,,,,,,0.0,,,
COc1cccc(-c2cc(C(=O)Nc3cc(C)nn3-c3ccccc3)no2)c1,CID9551037,,,,,,,,,,,1.0,,,,,,
COc1ccc(-c2cc(C(=O)Nc3cc(C)nn3-c3ccccc3)no2)cc1,CID9551039,,,,,,0.0,,,,,,,,,,,
COc1ccccc1-c1cc(C(=O)Nc2cc(C)nn2-c2ccccc2)no1,CID3243394,0.0,,,,,,,,,,,,,,,,
Cc1cc(NC(=O)c2cc(-c3ccccc3)on2)n(-c2ccccc2)n1,CID973867,,0.0,,,,,0.0,,,0.0,,0.0,,,0.0,,0.0
COc1ccc(N2CCN(C(=O)C3CCCN(S(=O)(=O)c4cccc5cccnc45)C3)CC2)cc1,CID5309633,0.0,,,,,0.0,,,,,,,,,,,
Cc1cccc(N2CCN(C(=O)C3CCCN(S(=O)(=O)c4cccc5cccnc45)C3)CC2)c1C,CID5309164,,,,,,,,0.0,,,,,0.0,,,0.0,
O=C(C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1)N1CCN(c2ccccc2F)CC1,CID5308986,0.0,,0.0,,,,0.0,,,,,,,,,,
O=C(C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1)N1CCN(c2ccc(F)cc2)CC1,CID4518247,0.0,,,,,,,0.0,,,,,,,,,
COC(=O)c1ccc(NC(=O)CSC2=NC(=O)C(c3ccccc3)C(=O)N2)cc1,CID2893095,,,,,,,,,,,,,,0.0,,,
NS(=O)(=O)c1ccc(NC(=O)CSC2=NC(=O)C(c3ccccc3)C(=O)N2)cc1,CID2890941,,0.0,,,,,,,,,,,,,,,
O=C(CSC1=NC(=O)C(c2ccccc2)C(=O)N1)Nc1cccc(Cl)c1,CID2889913,,,,,,,,,,0.0,,0.0,,,,,
O=C(CSC1=NC(=O)C(c2ccccc2)C(=O)N1)Nc1ccccc1Cl,CID2894325,,,,,,,,,,,0.0,,,,,,
O=C1c2ccccc2C(=O)N1Cc1nc2ccccc2c(=O)n1-c1ccc(Br)cn1,CID2883205,0.0,,,,,,0.0,,0.0,,,,,,,,
Cc1cccnc1-n1c(CN2C(=O)c3ccccc3C2=O)nc2ccccc2c1=O,CID1366707,,,,,,0.0,,0.0,,,,,,,0.0,0.0,
Cc1cccc(-n2c(CN3C(=O)c4ccccc4C3=O)nc3ccccc3c2=O)n1,CID1366454,,0.0,,,,,,0.0,,,,0.0,0.0,,,,
O=C1c2ccccc2C(=O)N1Cc1nc2ccccc2c(=O)n1-c1ccccn1,CID1068849,,,,,,,,,,0.0,0.0,0.0,,,0.0,0.0,
Cc1ccc(Cn2nnc3c(=O)n(CC(=O)N4CCN(c5ccccc5)CC4)cnc32)cc1,CID3236484,,0.0,,,,,,,,,,,,,,,
O=C(Cn1cnc2c(nnn2Cc2ccccc2)c1=O)N1CCN(c2ccccc2)CC1,CID5310216,,,0.0,,,,,,,,0.0,,,,,,0.0
O=C(Cn1cnc2c(nnn2Cc2ccccc2F)c1=O)N1CCN(c2ccccc2)CC1,CID3239357,,,,,,,,,,0.0,,,,,,,
O=C(Cn1cnc2c(nnn2Cc2ccc(F)cc2)c1=O)N1CCN(c2ccccc2)CC1,CID3238959,,0.0,,,,,,,,0.0,,,,,,,
COC(=O)c1noc(-c2ccc(C)cc2)n1,CID1484191,,,,,,,,,,,,,,,0.0,,
COC(=O)c1noc(-c2ccc(OC)cc2)n1,CID935028,,,0.0,,,,,,,,,,,,0.0,,
CCCc1noc(-c2ccccc2Cl)n1,CID869984,,,,,,0.0,,,,,,,,,,,
CCCc1noc(-c2ccc(C(C)(C)C)cc2)n1,CID5147280,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccncc2)cc1,CID1287871,,,,,,,,,,,,0.0,,,,,
CC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccncc2)cc1,CID1287754,,,,,,,,,,,,0.0,,,,,
O=C(Nc1ccc(F)cc1)c1cn(-c2ccccc2)nc1-c1ccncc1,CID1287796,,,,,,,,,,,,0.0,,0.0,,,
COC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccncc2)cc1,CID2140163,,,,,,,,,,,,0.0,,,0.0,,
O=S(=O)(Nc1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1)c1ccc(Cl)cc1,CID665350,0.0,0.0,,0.0,0.0,0.0,,,,,,0.0,,,,,
Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)nc2n3CCN(Cc3ccccc3)C2)cc1,CID2211754,0.0,,,,,,,,,,,,,,,,0.0
O=S(=O)(Nc1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1)c1ccccc1,CID2039682,0.0,,,,,,,0.0,,,,,,,,,0.0
O=S(=O)(Nc1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1)c1ccc(F)cc1,CID665131,0.0,,,,0.0,,,,,0.0,,,,,,,0.0
Cc1cc2nc(-c3cccc(NC(=S)NC(=O)c4ccco4)c3)oc2cc1C,CID2269564,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=S)NC(=O)c1ccco1,CID1362607,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1ccco1,CID2887586,,,,,,0.0,,,,,,,,,,,
Cc1ccc2nc(-c3cccc(NC(=S)NC(=O)c4ccco4)c3)oc2c1,CID1352033,,,,,,0.0,,,,,,,,,,,
CCCCCn1c(O)c(C(=O)NCc2ccccn2)c(=O)c2ccccc21,CID1878948,,,,,0.0,,,,,,,,0.0,,,,
CC(C)Cn1c(O)c(C(=O)NCc2ccccn2)c(=O)c2ccccc21,CID657548,0.0,,0.0,,,,,,0.0,,,,0.0,,,,
CCn1c(O)c(C(=O)NCc2ccccn2)c(=O)c2ccccc21,CID758850,,0.0,,,,0.0,,,,0.0,,,0.0,,,,
CCCn1c(O)c(C(=O)NCc2ccccn2)c(=O)c2ccccc21,CID790153,0.0,,0.0,0.0,,,,0.0,0.0,,,,0.0,,,,
CCc1ccc(C(=O)NC2CCCCC2)s1,CID1245810,,0.0,,,0.0,,,,,,,,,,,,
CCN(C(=O)c1sc(N)c(C#N)c1C)C1CCCCC1,CID869161,,,,0.0,,,,,,,0.0,,0.0,,,0.0,
CCN(CC)S(=O)(=O)c1csc(C(=O)NC2CCCCC2)c1,CID655038,,,,,0.0,0.0,0.0,,,0.0,0.0,0.0,0.0,,0.0,,
O=C(NC1CCCCC1)c1cccs1,CID855035,,,,,,0.0,,,,,,,,,,,
O=C(OCC(=O)N1CCCCC1)c1cc2ccccc2cc1O,CID2388572,,,,,,0.0,,0.0,,0.0,,,,,,,0.0
CC1CCN(C(=O)COC(=O)c2cc3ccccc3cc2O)CC1,CID2095897,,0.0,,0.0,,,0.0,,,,0.0,,,,,,
CC1CC(C)CN(C(=O)COC(=O)c2cc3ccccc3cc2O)C1,CID2999033,,,,,,,0.0,,,,,,,,,,0.0
CCC1CCCCN1C(=O)COC(=O)c1cc2ccccc2cc1O,CID2998033,,,,,,0.0,,,,,,,0.0,,,0.0,0.0
CCCn1c(=O)c2ccccc2n2c(SCCOc3ccc(Cl)cc3)nnc12,CID2493018,0.0,0.0,0.0,,0.0,0.0,,,,,,,,,,,0.0
CCCn1c(=O)c2ccccc2n2c(SCCOc3ccc(C)cc3)nnc12,CID2493020,0.0,,,,,,,,,0.0,,,0.0,,,,
CCCn1c(=O)c2ccccc2n2c(SCCOc3ccc(OC)cc3)nnc12,CID2493028,0.0,,,,,,,0.0,,,,,,,,,
CCCn1c(=O)c2ccccc2n2c(SCCOc3ccccc3F)nnc12,CID2571693,,0.0,,,0.0,,,,,0.0,,0.0,,,,0.0,
CCCn1c(NCc2ccc(C)o2)nc2ccccc21,CID2997937,,,,0.0,,,0.0,,,,0.0,,,,,0.0,
CCCCCn1c(NCc2ccco2)nc2ccccc21,CID3319136,,,0.0,,,0.0,,,,,,,0.0,,,,
Cn1c(NCc2ccco2)nc2ccccc21,CID828729,,,,,,,,,,,,0.0,,,,0.0,
CCCn1c(NCc2ccco2)nc2ccccc21,CID924071,,,,0.0,,,0.0,0.0,,,,0.0,,,,0.0,
Cc1cc(NCCCN2CCOCC2)n2nc(C)c(-c3ccc(F)cc3)c2n1,CID647327,,0.0,,,,,,,,,,0.0,,0.0,,,
Cc1cc(NCCCN2CCOCC2)n2nc(C)c(-c3ccccc3)c2n1,CID665671,,0.0,0.0,,,,,,,,,0.0,,,,,0.0
Cc1cc(NCCCN2CCOCC2)n2ncc(-c3ccc(Cl)cc3)c2n1,CID667170,0.0,0.0,,,,,,,,,,,,,,0.0,0.0
Cc1cc(NCCCN2CCOCC2)n2ncc(-c3ccccc3)c2n1,CID665812,,0.0,,,,,,,,,,,,,,,0.0
Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccccn3)CC2)cc1,CID2953239,,,,,,,,0.0,,,0.0,,,,,,0.0
Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3ccccn3)CC2)cc1,CID2946772,,,,,,,,,,,0.0,,,,,,
CN(CC(=O)N1CCN(c2ccccn2)CC1)S(=O)(=O)c1ccc(Br)cc1,CID2977891,,,,,,,,,,,0.0,,,,,,0.0
CN(CC(=O)N1CCN(c2ccccn2)CC1)S(=O)(=O)c1ccccc1,CID2964893,,,,,,,,0.0,,,,,,,,,0.0
N=c1c(S(=O)(=O)c2ccccc2)cc2c(=O)n3ccccc3nc2n1Cc1ccco1,CID656318,,0.0,0.0,0.0,,,,,,,,,,,,0.0,0.0
Cc1ccc(S(=O)(=O)c2cc3c(=O)n4ccccc4nc3n(Cc3ccco3)c2=N)cc1C,CID665803,,,,,,0.0,,,,,,,0.0,,,,0.0
Cc1ccc(S(=O)(=O)c2cc3c(=O)n4cccc(C)c4nc3n(Cc3ccco3)c2=N)cc1C,CID665497,,,,,,,,,,,,,,,,0.0,
Cc1ccc(S(=O)(=O)c2cc3c(=O)n4ccccc4nc3n(Cc3ccco3)c2=N)cc1,CID1083226,,,0.0,,,,,,,,,,,,,,0.0
Cc1nnc(C)c2c(C)n(C(C)c3ccccc3)c(C)c12,CID644673,,,,,,0.0,0.0,,,,,,,,,,
Cc1nnc(C)c2c(C)n(Cc3ccccc3)c(C)c12,CID659734,,0.0,,,,,,,,,,,,,,0.0,
COc1ccc(C(C)n2c(C)c3c(C)nnc(C)c3c2C)cc1,CID2981727,,,,,,,,,,,,0.0,,,,,
Cc1nnc(C)c2c(C)n(Cc3ccc(Cl)cc3)c(C)c12,CID806574,,,,,,,,,,0.0,,,,,,,
CCN(CC)c1ccc(N2C(=O)/C(=C\c3cccs3)SC2=S)cc1,CID1590575,,,,,,,,,,,0.0,,,0.0,0.0,,
Cc1ccc(N2C(=O)/C(=C/c3cccs3)SC2=S)cc1C,CID1594466,,,,,,0.0,,,,,,,,,,,
O=C1/C(=C/c2cccs2)SC(=S)N1c1ccccc1,CID1567497,,,,,,0.0,,,,,,,,,,,
CCN(CC)c1ccc(N2C(=O)/C(=C/c3cccs3)SC2=S)cc1,CID1590574,,,,,,0.0,,,,,,,,,,,
CC1CCc2nn(CC(=O)NCc3ccc(F)cc3)cc2C1,CID5308429,,,,0.0,,,,0.0,,,,,,,,0.0,
COc1cccc(CNC(=O)Cn2cc3c(n2)CCCC3)c1,CID5309499,,,,,,,,,,,,,,,,0.0,
O=C(Cn1cc2c(n1)CCCC2)NCc1cccc(Cl)c1,CID5309059,0.0,,,0.0,,,,,,,,,,,,0.0,0.0
CCN(Cc1ccccc1)C(=O)Cn1cc2c(n1)CCCC2,CID5309270,,,,,,,0.0,0.0,,,,,0.0,,,,
COc1ccc(C2=NOC(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2)cc1OC,CID5308422,0.0,,,,,0.0,,,,,,,,,,,
COc1ccc(OC)c(C2=NOC(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2)c1,CID5308122,0.0,,,,,,,,,,,,,,,0.0,
Cc1c(NC(=O)C2CC(c3c(F)cccc3Cl)=NO2)c(=O)n(-c2ccccc2)n1C,CID2962179,,,,,,,,,,,,,,,,0.0,
COc1ccc(C2=NOC(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2)cc1,CID6619781,,,,,,0.0,,,,,,,,,,,
O=C(NCc1cccnc1)c1cc(-c2ccccc2)on1,CID973868,,0.0,,,,,,0.0,,,0.0,,,,,,
Cc1ccc(-c2cc(C(=O)NCc3cccnc3)no2)cc1,CID1093772,,0.0,,0.0,,,,0.0,,,,,,,0.0,,
COc1ccc(-c2cc(C(=O)NCc3cccnc3)no2)cc1OC,CID3239565,,0.0,0.0,,,,,,,,,,0.0,,,,
COc1ccc(-c2cc(C(=O)NCc3cccnc3)no2)cc1,CID3236273,0.0,0.0,,,,0.0,,,0.0,0.0,0.0,0.0,,,,0.0,
NC(=O)Cn1nnc(-c2ccc(CN3CCCCC3)cc2)n1,CID1462968,,,,,,,,,,,,,,,0.0,,
c1cc(-c2nn[nH]n2)ccc1CN1CCCCC1,CID3240353,,,0.0,0.0,,,,0.0,,,,,,,,,
CC1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1,CID3244608,0.0,0.0,,,,,,0.0,,,0.0,,0.0,,,,
CC1CCCCN1Cc1ccc(-c2nn[nH]n2)cc1,CID3242653,,,,0.0,,,,0.0,,,,,,,,,
CCc1nnc(NC(=O)c2nc3nccc(C)n3n2)s1,CID2397006,,0.0,,0.0,0.0,,,,,,,,,,0.0,,
CCC(CC)c1nnc(NC(=O)c2nc3nc(C)cc(C)n3n2)s1,CID2439271,,,,,,,,,,0.0,,,,,0.0,,
CCCCc1nnc(NC(=O)c2nc3nccc(C)n3n2)s1,CID2564268,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccnc2nc(C(=O)Nc3nnc(CC(C)C)s3)nn12,CID2505294,,,,,,,,,,,,,,,0.0,,
CN(Cc1nc(-c2ccncc2)no1)S(=O)(=O)c1ccc(Br)cc1,CID1254963,,,,,,,,,0.0,,,,,,,0.0,0.0
Cc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccncc3)no2)cc1,CID848419,,,,0.0,,,,,,,,,,,,0.0,0.0
CN(Cc1nc(-c2ccncc2)no1)S(=O)(=O)c1ccccc1,CID2219907,,0.0,,,,,,,,,,,,,,0.0,0.0
CN(Cc1nc(-c2ccncc2)no1)S(=O)(=O)c1ccc(Cl)cc1,CID1301101,0.0,0.0,,0.0,0.0,,0.0,,0.0,,,,0.0,,,,0.0
COc1cccc(C(=O)NCC2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)c1,CID651404,,,,,0.0,,,,,,0.0,,,,,,0.0
O=C(NCC1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1)c1ccc(Cl)cc1,CID3232214,,,,,,,,,0.0,0.0,,0.0,,,,,
COc1ccccc1C(=O)NCC1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1,CID3232222,,,,,,,,,,,0.0,,,,,,
O=C(NCC1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1)c1cccc(Cl)c1,CID3232221,,,,,,0.0,,,,,,0.0,,,,,
Cc1ccc(Cn2c(Sc3nnc(C)s3)nc3c2c(=O)[nH]c(=O)n3C)cc1,CID3882891,,,,,,0.0,,,,,,,,,,0.0,
Cc1nnc(Sc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2)s1,CID2988612,0.0,0.0,,,,,,,,,,,,,,,0.0
Cc1nnc(Sc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2Cl)s1,CID3912764,,,,,,,0.0,,,,,,,,,,
Cc1nnc(Sc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2)s1,CID646425,,0.0,,,,,,,,,,,,,,,
CCC(C)NC(=O)c1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc12,CID662039,,0.0,,,,,0.0,,,,,,,,,0.0,0.0
CCCNC(=O)c1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc12,CID662656,,,0.0,,,,,,,,,,,,,0.0,0.0
CC(C)CCNC(=O)c1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc12,CID1891819,,,,,,,,,0.0,,,,,,0.0,,
CCCCNC(=O)c1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc12,CID1912468,,,,,,0.0,,,0.0,,,,,,,,
C(=N/n1cnc2ccccc21)\c1cccnc1,CID937180,,,,,,,,,,,,,,0.0,0.0,,
Cc1cc2ncn(/N=C/c3cccnc3)c2cc1C,CID662705,,0.0,,,,,0.0,0.0,,,,0.0,,,,,
Cc1nc2ccccc2n1/N=C/c1cccnc1,CID749135,,,,,,,,,,,,0.0,,,,,
Nc1nc2ccccc2n1/N=C/c1cccnc1,CID776442,,,,,,,,,,,,0.0,,,,,
COc1cc(C(=O)Oc2ccc(C(=S)N3CCOCC3)cc2)cc(OC)c1OC,CID1100726,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(=O)Oc2ccc(C(=S)N3CCOCC3)cc2)cc1,CID1127189,,,,,,,,,,,,,,0.0,,,
O=C(Oc1ccc(C(=S)N2CCOCC2)cc1Br)c1ccccc1F,CID1021107,,,,,,,,,,,,,,0.0,,,
COc1cc(C(=S)N2CCOCC2)cc(OC)c1OC(=O)c1ccc(C)cc1,CID1127203,,,,,,0.0,,,,,,,,,,,
COc1ccccc1OC(=O)CN1C(=O)c2ccccc2C1=O,CID740916,,,,,,,,,0.0,,,,,0.0,,,
CCOc1ccc(OC(=O)C(CCS(C)(=O)=O)N2C(=O)c3ccccc3C2=O)cc1,CID3841326,,,,,,,,,,,0.0,,,,,,
CC(=O)Nc1ccc(OC(=O)C(CCS(C)(=O)=O)N2C(=O)c3ccccc3C2=O)cc1,CID2950382,,,,,0.0,,,,,,,,,,,,
COc1cc(C(C)=O)ccc1OC(=O)C(C)N1C(=O)c2ccccc2C1=O,CID2788101,,,,,,,,,,,,,0.0,,,,
COCCn1c(-c2ccccc2)nc(=S)c2c1CC(C)(C)OC2,CID2035523,,,,,,,0.0,,,0.0,,0.0,,,,,
CC1(C)Cc2c(c(=S)nc(-c3ccccc3)n2CCO)CO1,CID929916,,,,,,,0.0,,,,,,,,,,0.0
CCN(CC)CCn1c(-c2ccccc2)nc(=S)c2c1CC(C)(C)OC2,CID1883850,,,,,,,,,,,,0.0,,,,,
CC1(C)Cc2c(c(=S)nc(-c3ccccc3)n2CCOCCO)CO1,CID664925,,,,,,,0.0,,,0.0,,,,,,0.0,
Cc1ccc(CCNC(=O)C2CCCN(S(=O)(=O)c3c(C)noc3C)C2)cc1,CID3241286,,,,,,,,0.0,,,,,,,,,
Cc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)NCCc2ccccc2)C1,CID3245240,,,,,,,,,,,,,,0.0,,0.0,
Cc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)NCCc2ccc(Cl)cc2)C1,CID3235717,0.0,0.0,,,0.0,,,,0.0,,,0.0,,,,,0.0
Cc1ccc(CCNC(=O)C2CCCN(S(=O)(=O)c3c(C)noc3/C=C/N(C)C)C2)cc1,CID5309627,,,,,,0.0,,,,,,,,,,,
C=CCOc1ccccc1C1C2=C(CC(C)(C)CC2=O)Nc2c1c(=O)n(C)c(=O)n2C,CID666058,,0.0,0.0,,0.0,,,,,,,,,,,,
COc1ccc(OC)c(C2C3=C(CCCC3=O)Nc3c2c(=O)n(C)c(=O)n3C)c1,CID3243488,,,,,,,,0.0,,,0.0,,,,,,
Cn1c2c(c(=O)n(C)c1=O)C(c1ccccc1OC(F)F)C1=C(CCCC1=O)N2,CID3245386,,,0.0,,,,0.0,,,,,,,,,,
COc1ccc(C2C3=C(CC(C)(C)CC3=O)Nc3c2c(=O)n(C)c(=O)n3C)cc1OC,CID4888956,,,,,,,,,,,,,,,0.0,,
CCOc1nc(NCc2ccco2)nc(Nc2ccc(OC)cc2)n1,CID650272,,,0.0,,,,0.0,0.0,,0.0,,,,,0.0,,
CCOc1nc(NCc2ccco2)nc(Nc2ccccc2F)n1,CID3146878,,,,,,,,,,,,0.0,,,,,
COc1ccc(Nc2nc(Cl)nc(NCc3ccco3)n2)c(OC)c1,CID1095341,,,,,,,,,,,,,,,0.0,,
COc1ccc(Nc2nc(Cl)nc(NCc3ccco3)n2)cc1,CID694087,,,,,,,,,,,,,,,0.0,,
Nc1nc(Cl)cc(N2CCOCC2)n1,CID1484288,,,,,,,,,,,,0.0,,,,,
COc1cc(N2CCOCC2)ncn1,CID3242788,0.0,,,0.0,,,,,0.0,,,,,,,,
Nc1c(Cl)ncnc1N1CCOCC1,CID1081837,,,,,,,,,,,,,,,0.0,,
Cc1cc(N2CC(C)OC(C)C2)nc(C(C)C)n1,CID4317583,,,,,,,,,,,,,,0.0,,,
COc1ccc(CNC(=O)CN(C(=O)CCC(=O)Nc2ccccn2)c2ccccc2OC)cc1,CID648577,,,,,,,,,0.0,0.0,0.0,,,,,,0.0
COc1ccccc1N(CC(=O)NCc1ccccc1)C(=O)CCC(=O)Nc1ccccn1,CID3204807,,,,,,,,,0.0,0.0,0.0,0.0,,,,,
COc1ccccc1N(CC(=O)NCc1ccc(F)cc1)C(=O)CCC(=O)Nc1ccccn1,CID3204840,,,,,,,,,,,,,,0.0,,,
COc1ccccc1N(CC(=O)NCc1ccccc1)C(=O)CCC(=O)Nc1cc(C)ccn1,CID3208415,,,,,,,,,0.0,,,0.0,,,,,
COc1ccc(C(O)CNc2ccc(C)cc2)cc1,CID652696,,,0.0,0.0,,,0.0,,,,0.0,,0.0,,,,
O=[N+]([O-])c1ccc(Cl)cc1NCCc1ccccc1,CID2870821,,,,,,0.0,,,,,,,,,,,
CN(C)C(CNc1ccc([N+](=O)[O-])cc1C#N)c1ccccc1,CID4841558,,,,,,,,,,,,,,0.0,,,
COc1ccc(CCNc2ccc(C)cc2)cc1,CID686951,,,,,,,,,,0.0,,,,0.0,,,
O=C(OCc1ccccc1)c1ccc(Br)o1,CID2234075,0.0,,,,,,,,0.0,,,0.0,,,,,0.0
CCC(C)(C)NC(=O)C(OC(=O)c1ccco1)c1ccccc1OC,CID646613,,0.0,0.0,0.0,,,0.0,0.0,,,,,,,,0.0,
COCCNC(=O)C(OC(=O)c1ccco1)c1ccccc1OC,CID644560,,,,,,,0.0,,,,,,0.0,,,0.0,0.0
COc1ccccc1C(OC(=O)c1ccco1)C(=O)NC(C)(C)C,CID646815,,,,,,,0.0,0.0,,,,,,,,0.0,
CCSc1nnc(NC(=O)CSc2nc3c(c(=O)n2-c2ccccc2OC)SCC3)s1,CID3238428,,,,,0.0,,,,,,,0.0,,,,,
CCSc1nnc(NC(=O)CSc2nc3c(c(=O)n2-c2ccccc2)SCC3)s1,CID2155109,,,,,,,,,,,,0.0,,,,,
COc1ccccc1-n1c(SCC(=O)Nc2nnc(C)s2)nc2c(c1=O)SCC2,CID2155250,,,,,,,,,,,,0.0,,,,,
CCc1nnc(NC(=O)CSc2nc3c(c(=O)n2-c2ccccc2OC)SCC3)s1,CID2155251,,,,,0.0,,,,0.0,,,,,,,0.0,
COc1ccc(C2C(C(=O)N3CCC(C)CC3)c3ccccc3C(=O)N2C)cc1,CID3238426,,,,,0.0,,0.0,0.0,,,,,,,0.0,0.0,
COc1ccc(C2C(C(=O)N3CCCCC3)c3ccccc3C(=O)N2C)cc1,CID3236559,,,,,0.0,,,,,,0.0,,,,,,
COc1ccc(C2C(C(=O)N3CC(C)CC(C)C3)c3ccccc3C(=O)N2C)cc1,CID3240285,,,,,0.0,0.0,,,,,,,,,,,
COc1cc2c(cc1OC)C(C(=O)N1CCCCC1)C(c1ccccc1F)N(C)C2=O,CID3243963,,0.0,,,,,,,,,,,,,,,
O=C(Nc1ccc(F)c([N+](=O)[O-])c1)C1CC(=O)N(Cc2ccccc2)C1,CID4884316,,,,,,,,,,,,,,,0.0,,
Cc1ccc(CN2CC(C(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)CC2=O)cc1,CID3947416,,,,,,,,,,,,,,,0.0,,
O=C(O)c1cccc(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)c1,CID2964327,,,0.0,,,,0.0,,,,0.0,,,,,,
CS(=O)(=O)c1ccc(Cl)c(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)c1,CID2997690,0.0,,,0.0,,,,,,,,0.0,,,,,0.0
CN1CCN(C(=O)c2cc3c(n(-c4ccccc4)c2=O)CC(C)(C)CC3=O)CC1,CID654031,0.0,,,,,0.0,0.0,0.0,,,,0.0,,,,,
Cc1ccc(-n2c3c(cc(C(=O)N4CCN(C)CC4)c2=O)C(=O)CC(C)(C)C3)cc1,CID651179,,0.0,0.0,,0.0,,,,0.0,,,,,,,,
CC1(C)CC(=O)c2cc(C(=O)N3CCN(CCO)CC3)c(=O)n(-c3ccc(Cl)cc3)c2C1,CID1311520,,,,,,,,,,0.0,,,,,,,
COc1ccc(-n2c3c(cc(C(=O)N4CCN(CCO)CC4)c2=O)C(=O)CC(C)(C)C3)cc1,CID1318880,,,,,,,,,0.0,,,,,,,,0.0
COc1ccc(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1,CID1327235,,,,,,,,,0.0,0.0,0.0,,,,,,
O=C(Nc1ccc2c(c1)OCCO2)C1CCN(C(=O)c2ccccc2)CC1,CID5125843,,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccc2c(c1)OCCO2)C1CCN(C(=O)c2ccc(Br)cc2)CC1,CID1316338,0.0,,,,,,,,0.0,,0.0,,,,,0.0,0.0
O=C(Nc1ccc2c(c1)OCCO2)C1CCN(C(=O)c2ccc(F)cc2)CC1,CID1278510,,,0.0,,,,0.0,0.0,,,,,,,,,
COc1ccccc1N1CCN(C(=O)CSc2nnc3n2C(C)(C)Cc2ccccc2-3)CC1,CID645189,0.0,,,,,,,,,,,,,,,,
COc1ccc(N2CCN(C(=O)CSc3nnc4n3C(C)(C)Cc3ccccc3-4)CC2)cc1,CID648473,0.0,,0.0,0.0,,,,0.0,,,,,,,,,
Cc1ccc(Cl)cc1N1CCN(C(=O)CSc2nnc3n2C(C)(C)Cc2ccccc2-3)CC1,CID1460629,,,,,,,,,,,,0.0,,,,,
CC1(C)Cc2ccccc2-c2nnc(SCC(=O)N3CCN(c4ccccc4)CC3)n21,CID652660,0.0,,,,,,,,,,,0.0,,,,0.0,
CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1N1CCOCC1,CID2089876,0.0,,,,,,0.0,,0.0,,,,,,,0.0,0.0
CCCCNC(=O)c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccc(OC)cc2)c1,CID3237910,0.0,,0.0,0.0,0.0,0.0,,,0.0,,0.0,,0.0,,,,
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1,CID4258041,,,,,,,,,,,,,,,0.0,,
COc1ccc(S(=O)(=O)Nc2cc(C(=O)NCCC(C)C)ccc2N2CCOCC2)cc1,CID3239794,,,,,0.0,,,,,,,,,,0.0,,0.0
N#Cc1c(/N=C/c2cc(Br)cs2)sc2c1CCC2,CID830806,,,,,,,,,0.0,,,,,,,,
N#Cc1c(/N=C/c2cccs2)sc2c1CCC2,CID658868,,,0.0,,0.0,,,,,,,,0.0,,,,
N#Cc1c(/N=C/c2ccc(Br)s2)sc2c1CCC2,CID1237671,,,,,,,,,0.0,,,,,,,,
Cc1ccc(/C=N/c2sc3c(c2C#N)CCC3)s1,CID694854,,,,,0.0,,0.0,,,,,,0.0,,,,
COC(=O)Cn1c(CCS(=O)(=O)c2ccc(C)c(C)c2)nc2ccccc21,CID3244687,,0.0,,,,,,,,,,,,,,0.0,
O=S(=O)(CCc1nc2ccccc2[nH]1)c1ccc(Br)cc1,CID589049,,,,,,,,,,,,,,0.0,,,
COC(=O)Cn1c(CCS(=O)(=O)c2ccc(C)cc2)nc2ccccc21,CID645527,0.0,,,,,,0.0,,0.0,0.0,,0.0,0.0,,,0.0,
Cc1ccc(S(=O)(=O)CCc2nc3ccccc3n2CCC#N)cc1,CID2925354,,0.0,,,,,0.0,,,,,,,,,,0.0
CCOc1ccccc1CNC(=O)C1CCC(=O)N1C(C)C,CID3244684,,,0.0,,0.0,,,,,,,,0.0,,,0.0,
CCOCCCNC(=O)C(NC(=O)C1CCC(=O)N1)c1ccc(C)cc1,CID3245254,,,,,,,0.0,,,,,,,,,,
CC(C)N1C(=O)CCC1C(=O)NCc1ccccc1Cl,CID3336546,0.0,0.0,,0.0,,,,,,,,,,,,,
COc1ccc(Br)cc1CNC(=O)C1CCC(=O)N1C(C)C,CID4060872,0.0,,,,,,,,,,,,,,,0.0,
Cc1cc(N(CN2CCCC2=O)C(=O)c2ccccc2)no1,CID3244682,,,,0.0,,,,0.0,,,,,,,,,
Cc1cc(N(CN2CCCC2=O)C(=O)c2ccc(F)cc2)no1,CID3245681,,0.0,,,,,,0.0,,,,,,,,,
COc1cccc(C(=O)N(CN2CCCC2=O)c2cc(C)on2)c1,CID3241595,,,,,,,,0.0,,,,0.0,,,0.0,,
COc1ccc(C(=O)N(CN2CCCC2=O)c2cc(C)on2)cc1OC,CID3243320,,,0.0,,,,,,0.0,,,,,,,,
Cc1ccc2[nH]c(=O)c(-c3nc4ccccn4c3NCc3ccco3)cc2c1,CID1433164,,,,,,,,,,,0.0,0.0,,,,,
Cc1ccc2[nH]c(=O)c(-c3nc4cc(C)ccn4c3NCc3ccco3)cc2c1,CID649670,0.0,,0.0,,,,,,,,0.0,,,,,,
Cc1ccc2[nH]c(=O)c(-c3nc4c(C)cccn4c3NCc3ccco3)cc2c1,CID653176,0.0,,0.0,,,,0.0,,,,0.0,0.0,0.0,,,,0.0
Cc1cccc2cc(-c3nc4c(C)cccn4c3NCc3ccco3)c(=O)[nH]c12,CID1433079,,,,,,0.0,,,0.0,,,0.0,,,,,
Cc1cccc(-c2nnc(SCC(=O)Nc3nc4c(s3)CCCC4)n2C)c1,CID1150457,,,,,,,,,0.0,0.0,,,,,,,
Cn1c(SCC(=O)Nc2nc3c(s2)CCCC3)nnc1-c1ccccc1,CID647429,,0.0,0.0,,0.0,,0.0,,,0.0,,,,,,,0.0
CCn1c(SCC(=O)Nc2nc3c(s2)CCCC3)nnc1-c1ccccc1,CID653847,0.0,,0.0,,0.0,0.0,0.0,,0.0,,,,,,,0.0,0.0
Cc1ccc(-c2nnc(SCC(=O)Nc3nc4c(s3)CCCC4)n2C)cc1,CID649211,0.0,0.0,0.0,,0.0,,0.0,,0.0,0.0,,0.0,,,,,
CCc1nnc(NC(=O)C2c3ccccc3Oc3ccccc32)s1,CID1091323,,,,,,,,,,,0.0,0.0,,0.0,,,
Cc1nnc(NC(=O)C2c3ccccc3Oc3ccccc32)s1,CID717579,,,,,,,,,,,,,,0.0,0.0,,
CC(C)c1nnc(NC(=O)C2c3ccccc3Oc3ccccc32)s1,CID3151962,,,,,,,,,,,,0.0,,0.0,,,
O=C(Nc1nncs1)C1c2ccccc2Oc2ccccc21,CID646054,,,,,0.0,,0.0,0.0,,,,,,,,0.0,0.0
COc1cc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc(OC)c1OC,CID1048988,,,,,,,,,,,,0.0,,,,,
O=C(c1ccccc1[N+](=O)[O-])N1CCN(C/C=C/c2ccccc2)CC1,CID5338336,,,,,,0.0,,,,,,,,,,,
CCOc1cc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc(OCC)c1OCC,CID5336380,,,,,,0.0,,,,,,,,0.0,,,
COc1cc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc(OC)c1C,CID2098865,,,,,,,,,,,,0.0,,,,,
O=[N+]([O-])c1ccc(N2CCOCC2)cn1,CID2927973,,,,,,,,,,,,,,0.0,,,
CC(=O)O/N=C(\C)c1ncc(C(F)(F)F)cc1N1CCOCC1,CID1482003,,,,,,,,,0.0,,,,,,,,
C/C(=N\OC(=O)N(C)C)c1ncc(C(F)(F)F)cc1N1CCOCC1,CID1482002,,,,,,,,,0.0,,,,,,,,
CC1CN(c2ccc([N+](=O)[O-])nc2)CC(C)O1,CID4780303,,,,,,,,,,,,,,,0.0,,
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1,CID1090864,,,,,,,,,,,0.0,,,,,,
Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1,CID1010632,,,,,0.0,,,,0.0,,0.0,,,,0.0,,
CCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1,CID1090849,,,,,,,,,0.0,,,,,,,,
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1,CID1077792,,,,,,0.0,,,0.0,0.0,0.0,,,,,,
COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)C2c2cccnc2)cc1OC,CID5389433,,,,,,,,,0.0,,,,,,,,
Cc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)C2c2cccnc2)cc1,CID5292794,,,,0.0,,,,,,,,,,,,,
CCOc1cccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)C2c2cccnc2)c1,CID6398938,,,,,,,0.0,,,,,,,,,,
COc1cccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)C2c2cccnc2)c1,CID6398917,,,,,,,,,,,,,0.0,,,,
C=CCn1/c(=N/C(=O)C2CC2)sc2cc(NC(C)=O)ccc21,CID3545464,0.0,0.0,,,0.0,,,0.0,,,,,,,,0.0,
Cn1/c(=N/C(=O)C2CC2)sc2cc(F)cc(F)c21,CID2151109,,,,,,,,,,,,,,,,,0.0
Cn1/c(=N/C(=O)C2CC2)sc2cccc(F)c21,CID2151111,,,,,,,,,,0.0,,,,,,,
COC(=O)Cn1/c(=N/C(=O)C2CC2)sc2c(C)cc(C)cc21,CID5310237,,,,0.0,,,,,,0.0,,,,,,0.0,
CC(C)c1ccc(SCc2noc(C(=O)NCC3CCCO3)c2C(=O)O)cc1,CID11958599,,,,,,0.0,,,,,,,,,,,
Cc1cccc(SCc2noc(C(=O)NCC3CCCO3)c2C(=O)O)c1,CID11958596,,,,,,,,,,,,0.0,,,,,
O=C(NCC1CCCO1)c1onc(CSc2ccc(F)c(F)c2)c1C(=O)O,CID11958592,,,,,,,,,,,,0.0,,,,,
Cc1ccc(C)c(SCc2noc(C(=O)NCC3CCCO3)c2C(=O)O)c1,CID11958496,,,,,,0.0,,,,,,,,,,,
CCOc1ccccc1NC(=O)C(Sc1ccccc1)c1ccccc1,CID2905677,,,,,,,,,,,,,,0.0,,,
COc1ccc(NC(=O)C(Sc2ccccc2)c2ccccc2)c(OC)c1,CID2862536,,,,,,,,,,,,,,0.0,,,
COc1ccc(OC)c(NC(=O)C(Sc2ccccc2)c2ccccc2)c1,CID2905290,,,,,,0.0,,,,,,,,,,,
COc1ccc(C)cc1NC(=O)C(Sc1ccccc1)c1ccccc1,CID2933096,,,,,,,,,,,,,,0.0,0.0,,
COC(=O)Cn1cnc2cccc3cccc1c32,CID750288,,0.0,,,,,0.0,0.0,,,,,,,,,
CC(=O)c1ccc2cccc3[nH]c(C)nc1c23,CID5771339,,,,0.0,,,,,,,,,,,,,
CC(=O)c1ccc2cccc3c2c1ncn3C,CID4053114,,,,,,0.0,,,,,,,,,,,
Cc1nc2cccc3cccc([nH]1)c32,CID750290,,,,,,,,,,,,0.0,,,,,
COCCn1c(SCc2ccc(C(=O)OC)o2)nc2ccccc2c1=O,CID2610613,,0.0,,,,,,,,,,0.0,,0.0,,,
COCCn1c(SCc2ccc(C(=O)OC)o2)nc2cc(Cl)ccc2c1=O,CID2611145,0.0,,,0.0,,,0.0,0.0,,0.0,,0.0,,,,,
COC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2CC(C)C)o1,CID2610943,,,,,,0.0,,,0.0,0.0,,,,,0.0,,
COCC(C)n1c(SCc2ccc(C(=O)OC)o2)nc2ccccc2c1=O,CID2997844,,,,,,,,0.0,0.0,0.0,,,0.0,,,,
CCOc1cccc(OCCn2cnc3ccccc3c2=O)c1,CID803809,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccc(OCCn2cnc3ccccc3c2=O)cc1,CID973212,,,,,,0.0,,,,,0.0,,0.0,0.0,0.0,,
Cc1ccc(OCCn2cnc3cc([N+](=O)[O-])ccc3c2=O)cc1,CID2084687,,,,,,,,,,,,,,0.0,0.0,,
O=c1c2ccccc2ncn1CCOc1ccccc1[N+](=O)[O-],CID973524,,,,,,,,,,,,,,,0.0,,
CCOC(=O)C1=C(CN2CCc3ccccc32)NC(=O)NC1c1cccc([N+](=O)[O-])c1,CID2978593,,,,,,0.0,,,,,,,,,,,
COC(=O)C1=C(CN2CCc3ccccc32)NC(=O)NC1c1cc(C)ccc1C,CID2984343,,,,,,,0.0,0.0,,,,,0.0,,,,0.0
CCOC(=O)C1=C(CN2c3ccccc3CC2C)NC(=O)NC1c1ccccc1,CID3232557,,,,,,0.0,,,,,0.0,,,,,,
CCOC(=O)C1=C(CN2CCc3ccccc32)NC(=O)NC1c1cc(C)ccc1C,CID2974838,,,,,,,,,,,,0.0,,,,,
CCCN1CCC(=NNC(=O)c2ccc(Br)o2)CC1,CID2851629,,,,,,,,,,,,0.0,,,,,
CN1CCC(=NNC(=O)c2ccco2)CC1,CID868151,,,,,,,,,,,,,,0.0,,,
CC(C)N1CCC(=NNC(=O)c2ccc(Br)o2)CC1,CID840404,,,,,,,,,,,,,,,0.0,,
CCN1CCC(=NNC(=O)c2ccco2)CC1,CID840590,,,,,,,,,,,,0.0,,,,,
Cc1ccccc1CNCc1cccnc1,CID846157,,,,,,,,,,,0.0,0.0,,0.0,,,
CCOc1ccc(CNCc2cccnc2)cc1,CID834002,,,,,,,,,,,,0.0,,,,,
CCc1ccc(CNCc2cccnc2)cc1,CID795881,,,,0.0,,,,0.0,,0.0,,,,,,0.0,
O=C(O)CCC(=O)N(Cc1cccnc1)Cc1cccc(F)c1,CID651073,,,,,,,,0.0,,,,,,,,,0.0
COc1ccc(S(=O)(=O)N(CC(=O)N2CCOCC2)Cc2ccccc2)cc1C,CID1259901,,,,,,,,,,0.0,,,,,,,
COc1ccc(S(=O)(=O)N(CC(=O)N2CCOCC2)Cc2ccccc2)cc1,CID3152214,,,,,,,,,,,0.0,,,,,,
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N1CCOCC1,CID1340822,,,,,,,,,,0.0,,,,,,,
COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCOCC1)Cc1ccccc1,CID2217894,,,,,0.0,,,,,0.0,,,0.0,,,0.0,
N/C(=N\OC(=O)c1ccccc1Cl)c1ccccn1,CID5767547,,,,,,0.0,,,,,,,,,,,
N/C(=N\OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccn1,CID3130063,,,,,,,,,,,,,,0.0,,,
N/C(=N\OC(=O)c1ccccc1[N+](=O)[O-])c1ccccn1,CID3477686,,,,,,,,,,,,,,0.0,,,
C/C(=N\OC(=O)c1ccc(Br)cc1)c1ccccn1,CID770951,,,,,,,,,,,,,,,0.0,,
CCOc1cc2[nH]c(=O)n(CCC(=O)NCCc3ccccc3)c(=O)c2cc1OCC,CID3238788,,0.0,,,,,,0.0,,,,,,,,0.0,
CCOc1cc2[nH]c(=O)n(CCC(=O)NCCc3ccc(OC)c(OC)c3)c(=O)c2cc1OCC,CID3239510,,,0.0,,,,,0.0,0.0,,,,,0.0,,,0.0
COCCNC(=O)Cn1c(=O)n(CCC(=O)NCCc2ccccc2)c(=O)c2ccccc21,CID3241192,,,0.0,,,,,0.0,,,0.0,,,,,,
COc1ccc(CCNC(=O)CCn2c(=O)[nH]c3cc(OC)c(OC)cc3c2=O)cc1OC,CID3241616,,,,,,,0.0,,,0.0,,,,,,,
COc1ccc(CN(Cc2ccccn2)C(=O)CN2C(=O)C(C)Oc3ccccc32)cc1,CID654712,0.0,,,,0.0,,,,0.0,,,,,,,,
CC1Oc2ccccc2N(CC(=O)N(Cc2ccccc2)Cc2ccccn2)C1=O,CID652735,,,0.0,,0.0,,,,0.0,0.0,,,,,,,
COc1ccc(CN(Cc2ccccn2)C(=O)CN2C(=O)COc3ccccc32)cc1,CID653720,,,0.0,,0.0,,,,,,,,,,,,
O=C(CN1C(=O)COc2ccccc21)N(Cc1ccccc1)Cc1ccccn1,CID649186,0.0,,0.0,,,0.0,,0.0,0.0,0.0,,,,,,,
CCOC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3cnc[nH]3)CC2)c1,CID5309104,,,,0.0,,,0.0,,,,,,,,,,
O=C(Nc1cccc(C(F)(F)F)c1)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1,CID3238128,0.0,,,,0.0,,,,,0.0,,,,,,,
CCOc1ccc(OCC)c(NC(=O)C2CCN(S(=O)(=O)c3cnc[nH]3)CC2)c1,CID3238282,,,,,0.0,,,,,,0.0,,0.0,,,,0.0
Cc1cc(NC(=O)C2CCN(S(=O)(=O)c3cnc[nH]3)CC2)ccc1Br,CID3241798,0.0,,,,,,,,0.0,,0.0,,,,,0.0,0.0
COCCN(CC(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1,CID651834,,,,,0.0,,,,,,,,,,,,
COCCN(CC(=O)Nc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1,CID644798,,,0.0,,0.0,,0.0,,,,,,,,,,
COCCN(CC(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1,CID649537,,,,,0.0,0.0,,,,,0.0,,0.0,,,,
COCCN(CC(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1,CID654823,,,,,0.0,,0.0,,,,,,0.0,,,,
CCn1c(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)nc2ccccc2c1=O,CID2016610,,,,,0.0,,,0.0,,,,,,,,,
CCn1c(SCC(=O)N2CCN(c3cccc(Cl)c3)CC2)nc2ccccc2c1=O,CID980268,,,,,,,,,,,,0.0,,,,,
CCn1c(SCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)nc2ccccc2c1=O,CID980267,0.0,0.0,0.0,,0.0,,,,,,,0.0,0.0,,,,
CCCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nc2ccccc2c1=O,CID2481575,0.0,,,,,,,,,,,,,,,0.0,
COc1ccc(Nc2ncnc3c2cnn3Cc2ccccc2)cc1,CID656061,,0.0,,,,,0.0,,,,,,,,,,
COc1ccc(Nc2ncnc3c2cnn3Cc2ccccc2)cc1OC,CID660898,0.0,,0.0,,,,,,,,,,,,,,0.0
COc1ccc(Nc2ncnc3c2cnn3Cc2ccc(C)cc2)cc1,CID930421,,,,,,,,,,,,0.0,,,,,
CCOc1ccc(Nc2ncnc3c2cnn3Cc2ccccc2)cc1,CID711559,,,,,,,,,,,,0.0,,,,,
O=C1CN(S(=O)(=O)c2ccc(F)cc2)CC(=O)N1CCc1ccccc1,CID3242206,,,,,,,,0.0,,,,,,,,,
O=C1CN(S(=O)(=O)c2ccccc2)CC(=O)N1CCc1ccccc1,CID1098321,,,0.0,,,,,0.0,,,,,0.0,,,,
O=C1CN(S(=O)(=O)c2ccc(Cl)cc2)CC(=O)N1CCc1ccccc1,CID1069194,,,,,,0.0,,,,,,,,,0.0,,
Cc1cc(S(=O)(=O)N2CC(=O)N(CCc3ccccc3)C(=O)C2)ccc1F,CID3242891,,,,,,0.0,,,,,,,,,0.0,,
Cn1c(N2CCOCC2)nc2c1c(=O)n(Cc1ccc(Cl)c(Cl)c1)c(=O)n2C,CID657868,0.0,,0.0,,,,,,,,,,,,,,
CC1CN(c2nc3c(c(=O)n(Cc4ccc(Cl)cc4)c(=O)n3C)n2C)CC(C)O1,CID662487,0.0,,0.0,,,,,,,,,,0.0,,,,
CC1CN(c2nc3c(c(=O)n(Cc4ccc(Cl)c(Cl)c4)c(=O)n3C)n2C)CC(C)O1,CID662269,0.0,,,,,,,,,,,,0.0,,,,
Cn1c(N2CCOCC2)nc2c1c(=O)n(Cc1ccc(Cl)cc1)c(=O)n2C,CID657885,0.0,,,,,,0.0,,,,,,,,,,
CCC(C)C(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2,CID5169988,,,,,,,,0.0,,,,0.0,,,,,
CC1(C)CC(=O)c2sc(NS(C)(=O)=O)nc2C1,CID2939591,,,,,,,,,,0.0,0.0,,0.0,,,,
Nc1nc2c(s1)C(=O)CCC2,CID587850,,,,,0.0,,,,,,,,,,,,
CC1(C)CC(=O)c2sc(N)nc2C1,CID587874,,0.0,,0.0,0.0,,0.0,,,,,,,,,0.0,
O=C(Nc1ncc2c(n1)-c1ccccc1CC2)c1ccc(F)cc1,CID2769016,,,,,,0.0,,,,,,0.0,,,,,
COc1ccc(C(=O)Nc2ncc3c(n2)-c2ccccc2CC3)cc1,CID2769015,,,,,,,,,,,,,,0.0,0.0,,
O=C(Nc1ncc2c(n1)-c1ccccc1CC2)c1ccc(Cl)cc1,CID1483126,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ncc2c(n1)-c1ccccc1CC2)c1ccccc1,CID1483614,,,,,,,,,,,,0.0,,,,,
CCOc1cccc(C(=O)Nc2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cs2)c1,CID1303721,,,,,0.0,,,,,,0.0,,,,,,
COc1ccc(C(=O)Nc2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cs2)cc1,CID980159,,,,,,0.0,,,,0.0,,,,,,,
COc1cccc(C(=O)Nc2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cs2)c1,CID1290059,,0.0,,,0.0,,,,,,,0.0,0.0,,,,
COc1ccccc1C(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1,CID979629,,,,,,0.0,,,,,,,,,,,
Cc1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)cc1,CID818647,,,,,,0.0,,,,,,,,0.0,,,
O=C(O)c1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1,CID2095484,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)c(S(=O)(=O)Nc2ccccc2-c2ccccc2)c(C)c1,CID1068533,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)cc1C,CID2105853,,,,,,,,,,,,,,0.0,,,
CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc([N+](=O)[O-])c1O,CID2243980,,,,,,,,,,,,,,0.0,,,
COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1OC,CID1554651,,,,,,0.0,,,,,,,,,,,
O=C(CN1C(=O)S/C(=C/c2ccccc2F)C1=O)Nc1cccc(O)c1,CID1364330,,,,,,0.0,,,,,,,,,,,
COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc1OC,CID1357371,,,,,,0.0,,,,,,,,,,,
Fc1ccc(-c2nn3c(C4COc5ccccc5O4)nnc3s2)cc1,CID667351,0.0,0.0,0.0,,0.0,,,,,,,,,,,,
COc1ccccc1-c1nn2c(C3COc4ccccc4O3)nnc2s1,CID667323,0.0,,0.0,,,,,0.0,,,,,,0.0,,0.0,0.0
c1ccc(-c2nn3c(C4COc5ccccc5O4)nnc3s2)cc1,CID2972990,0.0,,,,,,,,,,0.0,,0.0,,,0.0,
Clc1ccc(-c2nn3c(C4COc5ccccc5O4)nnc3s2)cc1,CID666249,0.0,0.0,,,1.0,0.0,,,,,0.0,0.0,,,,,0.0
Cc1cc(NC(=O)CSc2nnc(-c3cccnc3)n2N)no1,CID2508890,,,,,,,,,,,0.0,,,,0.0,,
CCCCn1c(SCC(=O)Nc2cc(C)on2)nnc1-c1cccnc1,CID653597,0.0,0.0,,,0.0,,,0.0,,,,0.0,0.0,,0.0,0.0,0.0
CCn1c(SCC(=O)Nc2cc(C)on2)nnc1-c1cccnc1,CID649794,,0.0,,0.0,0.0,,,,,,0.0,,,,,,
Cc1cc(NC(=O)CSc2nnc(-c3cccnc3)n2C)no1,CID650567,,0.0,0.0,0.0,0.0,,,,,0.0,,,0.0,,,,
CCOC(=O)c1c(C)c(C(=O)NCc2ccccc2OC)c(C)n1C,CID3240909,,,,0.0,,,,,0.0,,,,0.0,0.0,,,
CCOC(=O)c1[nH]c(C)c(C(=O)NCc2ccc(Cl)cc2)c1C,CID3245104,,,,,,,,,,,,,,,,0.0,
CCOC(=O)c1[nH]c(C)c(C(=O)NCc2ccc(C)cc2)c1C,CID5308872,0.0,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1[nH]c(C)c(C(=O)N(C)Cc2ccccc2)c1C,CID3242651,,,,0.0,0.0,0.0,,,0.0,0.0,,,,,,,0.0
COc1ccc(C2=NOC(Cn3c(=O)cc(C)c4ccccc43)C2)cc1,CID667138,0.0,,0.0,,0.0,,0.0,0.0,,,,,,0.0,0.0,,
COc1ccc(C2=NOC(Cn3c(=O)cc(C)c4ccccc43)C2)c(OC)c1,CID667398,,,0.0,,0.0,,,,0.0,,,,,0.0,,,
Cc1cc(=O)n(CC2CC(c3ccc(Cl)cc3)=NO2)c2ccccc12,CID4971144,,,,,,,,,,,,,,,0.0,,
Cc1cc(=O)n(CC2CC(c3ccccc3Cl)=NO2)c2ccccc12,CID4886339,,,,,,,,,0.0,,,,,,,,
Cc1ccc(C)c(N2CCN(C(=O)C3CCN(S(=O)(=O)c4c(C)noc4C)CC3)CC2)c1,CID3239772,,,,,,,0.0,0.0,,,,,,,,0.0,0.0
Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCN(c3ccccc3Cl)CC2)CC1,CID3236160,,,,,0.0,,0.0,,,,,0.0,,,,,0.0
Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)CC1,CID3240304,,,,,0.0,,,,,,,0.0,,,,0.0,
Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1,CID3245224,,,,,,,0.0,0.0,,,,,0.0,,,,
CC(C)C(=O)Nc1ccc(NC(=O)c2ccco2)cn1,CID649659,,,,0.0,,0.0,,0.0,0.0,,0.0,,0.0,,0.0,,
O=C(Nc1cccnc1)c1ccco1,CID148023,,,,,,0.0,,,,,,0.0,,,,,
CCC(=O)Nc1cc(C)c(NC(=O)c2ccco2)cn1,CID655602,,,0.0,,,,,,0.0,,,0.0,,,,,
CCCC(=O)Nc1ccc(NC(=O)c2ccco2)cn1,CID652785,,0.0,,,,,,,0.0,,,0.0,0.0,,,,
O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccccc1F,CID659778,,,,,,,,,,,,0.0,,,,,
O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1c(F)c(F)c(F)c(F)c1F,CID2200224,,,,,,,,,0.0,,,,,,,,
COc1c(F)c(F)c(C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)c(F)c1F,CID2980791,,,,,0.0,,,,0.0,,,,,,,,0.0
O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccccc1,CID921484,,,,,,,,,,,,,,,0.0,,
O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)N1CCCc2ccccc21,CID651566,0.0,0.0,0.0,,,0.0,0.0,0.0,,,,,,,,,
O=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)N1CCCc2ccccc21,CID651525,,,0.0,,,,,0.0,,,,,0.0,,0.0,,
Cc1ccc(-n2ncc3c(=O)n(CC(=O)N4CCCc5ccccc54)cnc32)cc1C,CID3239404,,,0.0,0.0,,,,,,,,0.0,,,,,
COc1ccc(-n2ncc3c(=O)n(CC(=O)N4CCCc5ccccc54)cnc32)cc1,CID656026,0.0,,,,,,,0.0,,,,0.0,,,0.0,,
COc1cccc(Cn2cccc(NC(=O)NC3CCCCC3)c2=O)c1,CID651561,0.0,,,,,,,,,,,,,,,,0.0
O=C(Nc1cccn(Cc2ccccc2)c1=O)NC1CCCCC1,CID1450035,,,,,,,,,,,0.0,0.0,,,,,
Cc1ccc(Cn2cccc(NC(=O)NC3CCCCC3)c2=O)cc1,CID1450086,,,,,,0.0,,,,,,0.0,,,,,
O=C(Nc1cccn(Cc2ccc(F)cc2)c1=O)NC1CCCCC1,CID1450067,,,,,,,,,,,,0.0,,,,,
CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccsc1,CID658283,,,,0.0,0.0,0.0,0.0,,,,,,,,,,0.0
CCOC(=O)C1=C(N)OC(CCl)=C(C#N)C1c1ccsc1,CID3378801,,,,,,,,,,,,,,,0.0,,
COC(=O)C1=C(C)OC(N)=C(C#N)C1c1cc(C)sc1C,CID3157945,,,,,,0.0,,,,,,,,,,,
CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1cc(C)sc1C,CID2950768,,,,,,0.0,,,,,,,,,0.0,,
Cc1ccc2cc(C(c3nnnn3C(C)(C)C)N3CCCC3)c(=O)[nH]c2c1C,CID650610,,0.0,,,,0.0,,,,,,,0.0,,,,
CCC(C)(C)n1nnnc1C(c1cc2cc(C)cc(C)c2[nH]c1=O)N1CCCC1,CID651757,,0.0,0.0,,,,,,,,,,,,,,
CCC(C)(C)n1nnnc1C(c1cc2cc(C)ccc2[nH]c1=O)N1CCCC1,CID647666,,,,,,,,,,,,,0.0,,,,
CCC(C)(C)n1nnnc1C(c1cc2cccc(C)c2[nH]c1=O)N1CCCC1,CID650268,,,,,,,,,,,0.0,,0.0,,,,
CCOC(=O)c1nnn(-c2nonc2N)c1COc1ccc(F)cc1,CID977322,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1nnn(-c2nonc2N)c1COc1ccccc1,CID691702,,,0.0,,,,,,,,,0.0,0.0,0.0,,,
CCOC(=O)c1nnn(-c2nonc2N)c1COc1cc(C)c(Cl)c(C)c1,CID1518884,,,0.0,,,,,,,,,,0.0,,,,
CCOC(=O)c1nnn(-c2nonc2N)c1COc1c(C=O)cccc1OC,CID3492167,,,,,,,,,0.0,,,,,,,,
COc1cc2c(cc1NC(=O)c1cccc([N+](=O)[O-])c1)oc1ccccc12,CID2684591,,,,,,,,,,,,,,,0.0,,
COc1cc2c(cc1NC(=O)c1cccc([N+](=O)[O-])c1C)oc1ccccc12,CID2684640,,,,,,0.0,,,,,,,,,,,
CNC(=O)COc1ccccc1C(=O)Nc1ccc2c(c1)oc1ccccc12,CID2960943,,,,,,,,,0.0,,0.0,,,,,,
COc1cc2c(cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1)oc1ccccc12,CID2684576,,,,,,,,,,,,,,,0.0,,
CCCCS/C(N)=N/N/C=C1\C=C(C)C=CC1=O,CID9551844,,,,,,,,,,,0.0,,,,0.0,,
CC(C)(C)C1=CC=C/C(=C\NO)C1=O,CID5389084,,,,0.0,,,,0.0,,,,,,,,,
COC1=CC([N+](=O)[O-])=C/C(=C\NNC(=O)CC#N)C1=O,CID5884095,,,,,,,,,,,,,,0.0,,,
CCN(CC)C1=CC(=O)/C(=C/NNC(=O)OC)C=C1,CID5399870,,,,,,,,,,,,0.0,,,,,
CSc1ccccc1NC(=O)CCn1c(=O)sc2ccccc21,CID3236632,,0.0,0.0,,0.0,0.0,0.0,,,,,,,0.0,0.0,,
CC(=O)Nc1cccc(NC(=O)CCn2c(=O)sc3ccccc32)c1,CID3241581,,,0.0,,0.0,,,0.0,,,,,,,,,
COc1ccccc1NC(=O)CCn1c(=O)sc2ccccc21,CID767792,,,0.0,,0.0,,0.0,,,0.0,,,,0.0,0.0,,
COc1ccc(NC(C)=O)cc1NC(=O)CCn1c(=O)sc2ccccc21,CID3237743,,,,,0.0,,,,0.0,,,,,,,,
O=C1N(Cc2ccc(F)cc2Cl)c2ccccc2C12OCCCO2,CID4139750,,,,,,,,,,0.0,,0.0,,,,,
Cc1ccc(C)c(CN2C(=O)C3(OCCCO3)c3ccccc32)c1,CID3238323,,,,,,,,0.0,,,,,,,,,
Cc1ccccc1CN1C(=O)C2(OCCCO2)c2ccccc21,CID3238951,,0.0,0.0,,,0.0,,,,,,,0.0,,,,
O=C1N(Cc2ccccc2F)c2ccccc2C12OCCCO2,CID4609329,,,,,,0.0,,,,,,,,,,,
O=C(CC1SC2=NCCN2C1=O)Nc1ccc(Cl)cc1,CID2937826,,0.0,0.0,0.0,,,,,,,,,0.0,,,,0.0
Cc1ccc(NC(=O)CC2SC3=NCCN3C2=O)cc1,CID651069,,0.0,,,,,0.0,,,,,,,,,,
O=C(CC1SC2=NCCN2C1=O)Nc1ccc(Br)cc1,CID2939488,0.0,,,,,,,,0.0,,,,,0.0,,0.0,
O=C(CC1SC2=NCCN2C1=O)Nc1ccccc1,CID661432,,0.0,,,,,0.0,,,0.0,,,,,,,
CCOc1ccccc1-n1c(SCC(=O)Nc2ccc(CC)cc2)nc2nnc(C)c-2c1N,CID3245534,,,,,0.0,,,,,,,,,,,,
COc1cccc(NC(=O)CSc2nc3nnc(C)c-3c(N)n2-c2cccc(OC)c2)c1,CID3240708,,,,0.0,0.0,,,0.0,,,0.0,,,,,0.0,
CCc1ccccc1NC(=O)CSc1nc2nnc(C)c-2c(N)n1-c1cccc(OC)c1,CID3665194,,,,,,,,,,,,,,,0.0,,
CCc1ccccc1NC(=O)CSc1nc2nnc(C)c-2c(N)n1-c1ccc(OC)cc1,CID3238110,,,0.0,,0.0,,,,,0.0,,,,,,,
O=C(Nc1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID675027,,0.0,0.0,0.0,,,,0.0,0.0,,,0.0,,,,,0.0
Cc1cccc(NC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1C,CID6464947,,,,,,,,,,,,,,,0.0,,
O=C(Nc1cccc(Cl)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID1079402,,,,,,0.0,,,,,,,,,,,
Cc1ccc(NC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1,CID1241062,,,,,,,,,,0.0,0.0,0.0,,,,,
CCOC(=O)C(=O)NCc1ccc(/C=C2\C(=O)C(C(=O)OC)=C(C)N2c2ccc(F)cc2)o1,CID5291831,,,,,,,,,,,0.0,,,,,,
CCOC(=O)C(=O)NCc1ccc(/C=C2\C(=O)C(C(=O)OC)=C(C)N2c2cc(C)cc(C)c2)o1,CID1812543,,,,,,,,,0.0,0.0,,,,,,,
CCOC(=O)C(=O)NCc1ccc(/C=C2\C(=O)C(C(=O)OC)=C(C)N2c2ccc(C)c(C)c2)o1,CID1737055,,,,,,,,,0.0,,,0.0,,,,,
COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)/C(=C/c2ccco2)C1=O,CID1984741,,,,,,,,,,,,,,0.0,,,
O=C1C(=O)N(c2cccc(Cl)c2)C(c2ccc([N+](=O)[O-])cc2)/C1=C(\O)c1ccccc1,CID5291835,,,,,,0.0,,,,,,,,,,,
COc1ccc(C2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2c2cccc(OC)c2)cc1,CID5345259,,,,,,0.0,,,,,,,,,,,
Cc1cccc(N2C(=O)C(=O)/C(=C(\O)c3ccccc3)C2c2cccc([N+](=O)[O-])c2)c1,CID5345321,,,,,,0.0,,,,,,,,,,,
O=C1C(=O)N(c2cccc(Cl)c2)C(c2ccccc2[N+](=O)[O-])/C1=C(\O)c1ccccc1,CID5345420,,,,,,0.0,,,,,,,,,,,
CCOc1ccc2nc(NC(=O)c3cnc(C)cn3)sc2c1,CID2457974,,,,,,0.0,,,0.0,,0.0,0.0,,,,,
CCOc1ccc2nc(NC(=O)c3cnccn3)sc2c1,CID655450,,0.0,0.0,0.0,,,0.0,0.0,0.0,,0.0,0.0,0.0,,,,
O=C(Nc1nc2ccccc2s1)c1cnccn1,CID1752111,,,,,,,,,,,,,,0.0,,,
COc1ccc2nc(NC(=O)c3cnccn3)sc2c1,CID862121,,0.0,,,,,,,,,,,,,,,
Cc1ccccc1NC(=O)c1sc2nc3c(c(-c4ccco4)c2c1N)CCC3,CID1405158,,,,,,0.0,,,,,,,,,,,
Cc1cccc(NC(=O)c2sc3nc4c(c(-c5ccco5)c3c2N)CCC4)c1,CID1426881,,,,,,0.0,,,,,0.0,,,,,,
Cc1ccc(NC(=O)c2sc3nc4c(c(-c5ccco5)c3c2N)CCC4)cc1,CID1829266,,,,,,0.0,,,,0.0,,,,,,,
Nc1c(C(=O)Nc2ccccc2)sc2nc3c(c(-c4ccco4)c12)CCC3,CID1974623,,,,,,,,,,,0.0,,,,,,
COc1cccc(Cn2c(Oc3cccc(C)c3)nc3c2c(=O)n(C)c(=O)n3C)c1,CID665058,0.0,,0.0,0.0,0.0,,,0.0,0.0,,,0.0,0.0,,,,
COc1ccc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(OC)c2)cc1,CID657535,0.0,,,,0.0,,,,0.0,,,0.0,,,,,
COC(=O)c1cccc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(C)cc2)c1,CID1007663,0.0,0.0,,0.0,0.0,,0.0,,0.0,,0.0,,,,,0.0,0.0
COc1cccc(Cn2c(Oc3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)c1,CID658095,0.0,,0.0,,0.0,,,0.0,,,,,,,,,
Cc1ccc(C(=O)NC(=S)Nc2cccc3c(C)cc(C)nc23)cc1,CID805206,,,,,,,,,,,,,,0.0,,,
O=C(NC(=S)Nc1cccc2cccnc12)c1ccccc1,CID3567992,,,,,,0.0,,,,,,,,,,,
Cc1ccc2cccnc2c1NC(=S)NC(=O)c1ccccc1,CID3477730,,,,,,,,,,,,0.0,,,,,
Cc1ccc2cccc(NC(=S)NC(=O)c3ccccc3)c2n1,CID778908,,,,,,0.0,,,,,,,,,,,
COC(=O)C1(C)Nc2ccccc2C(=O)N1c1ccccc1C,CID3888785,,,,,0.0,,,0.0,,,,,,,,0.0,0.0
CCC1(CC)Nc2ccccc2C(=O)N1c1ccc(NC(C)=O)cc1,CID659180,,,0.0,,,,,,,,,0.0,,,,,
COc1ccccc1N1C(=O)c2ccccc2NC1C(OC)OC,CID4360343,,,,,,,,,,0.0,,,,0.0,,,
COC(=O)C1(C)Nc2ccccc2C(=O)N1c1ccccc1OC,CID3888788,,,,,0.0,,,0.0,,,,,,,,0.0,
CCc1nnc(NC(=O)C2CCCN2S(=O)(=O)c2ccccc2)s1,CID2976262,,,0.0,,0.0,,0.0,,,,,,,,,0.0,
CCc1nnc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(F)cc2)s1,CID645617,,,,,0.0,,,,,,,,0.0,,,,
CC(C)c1nnc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(Cl)cc2)s1,CID650103,,,,,,,0.0,,0.0,,0.0,,,,,,
CCc1nnc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(C)cc2)s1,CID2998221,0.0,0.0,,0.0,0.0,,0.0,,,,0.0,,,,,,0.0
O=c1c2cnn(-c3ccccc3)c2ncn1Cc1ccccc1,CID714182,,0.0,,,,,,,,,,0.0,,,,,
O=c1c2cnn(-c3ccc(F)cc3)c2ncn1Cc1ccccc1,CID1088447,,,,,,,,,,,,0.0,,,0.0,,
O=c1c2cnn(-c3ccccc3)c2ncn1Cc1ccccc1F,CID5310171,,,,,,,,,,,,0.0,,,,,
O=c1c2cnn(-c3ccccc3)c2ncn1Cc1cccc(Cl)c1,CID5310226,,,,,,,0.0,,,,,,,,,,
CCn1c(SCC(=O)Nc2ccccc2N2CCCCC2)nc2c1c(=O)n(C)c(=O)n2C,CID647945,0.0,0.0,0.0,,,,,0.0,,,0.0,,0.0,,,,0.0
CCCn1c(SCC(=O)Nc2ccccc2N2CCCCC2)nc2c1c(=O)n(C)c(=O)n2C,CID649970,0.0,,,,,,,,,,,,0.0,,,0.0,0.0
Cn1c(=O)c2c(nc(SCC(=O)Nc3ccccc3N3CCCCC3)n2C)n(C)c1=O,CID645897,0.0,0.0,,0.0,,,,0.0,,,0.0,,0.0,,,,
CC(C)n1c(SCC(=O)Nc2ccccc2N2CCCCC2)nc2c1c(=O)n(C)c(=O)n2C,CID655368,0.0,,,,,0.0,,,0.0,,0.0,,,,,0.0,
CCOc1ccc2[nH]c(=O)c(C(c3nnnn3Cc3ccco3)N3CCCC(C)C3)cc2c1,CID647948,,,0.0,,,,,,,,,,,,,,
CCc1ccc2[nH]c(=O)c(C(c3nnnn3Cc3ccco3)N3CCC(C)CC3)cc2c1,CID3195869,,,,,,,,,,,0.0,,,,,,
Cc1cc2cc(C(c3nnnn3Cc3ccco3)N3CCCCC3)c(=O)[nH]c2cc1C,CID3195741,,,,,,,,,,,0.0,,,,,,
CCOc1ccc2[nH]c(=O)c(C(c3nnnn3Cc3ccco3)N3CCC(C)CC3)cc2c1,CID655704,,,,,,,,,,0.0,,,,,,,
CCOC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)CC1,CID2950112,,,,,,,,,,,0.0,,,,,,
CCOC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1,CID2920207,,,,,,,,,,0.0,,,,,,,
CCOC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)CC1,CID2938391,0.0,,,,,,,,,,,,,,,,
CCOC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1,CID2920802,,,,,,,,,0.0,0.0,0.0,,,,,,
CC(C)(C)C(=O)CC1(O)C(=O)N(Cc2ccccc2)c2ccccc21,CID2955435,,,,,,0.0,,,,,,,,,,,
CC(C)(C)C(=O)CC1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21,CID2949587,,,,,,,,,,0.0,,,,,,,
C/C(CC1(O)C(=O)N(Cc2ccccc2)c2ccccc21)=N\O,CID657491,0.0,,,,0.0,,0.0,,0.0,,,,,,,,0.0
CC(=O)CC1(O)C(=O)N(Cc2ccccc2)c2ccccc21,CID2817391,,,,,,,,,,0.0,,,,,,,
CCc1ccccc1NC(=O)N1C2CCCC1CC(NC(C)=O)C2,CID650516,,,0.0,,0.0,,,,,,,,,,,,
Cc1cccc(C)c1NC(=O)N1C2CCCC1CC(NC(=O)C(C)(C)C)C2,CID646227,,,0.0,,,0.0,,,,,,,,,,,0.0
Cc1ccccc1NC(=O)N1C2CCCC1CC(NC(=O)C(C)(C)C)C2,CID655701,,,,,,0.0,,,,,,,0.0,,,0.0,0.0
CCc1ccccc1NC(=O)N1C2CCCC1CC(NC(=O)C(C)(C)C)C2,CID644577,,,,,,,,0.0,,,,,,,0.0,,
Cc1cc(C)n(-c2cc(C(C)(C)C)nc3c(-c4ccc(Cl)cc4)cnn23)n1,CID2037286,,,,,,,,,,,,,,,0.0,,
Cc1cc(-n2nc(C)cc2C)n2ncc(-c3ccccc3)c2n1,CID665932,,0.0,0.0,,,0.0,,,,,,,,,,,
CCOC(=O)c1cnn(-c2cc(C)nc3c(-c4ccccc4)c(C)nn23)c1N,CID665736,,0.0,0.0,0.0,,,,,,0.0,0.0,,,,,,
CCOC(=O)c1cnn(-c2cc(C)nc3c(-c4ccccc4)cnn23)c1N,CID665447,,0.0,,0.0,,,,,,,,,,,,,
O=C(O)Cn1cc(C(=O)C2CC2)c2ccccc21,CID972750,,,,0.0,,,0.0,,0.0,0.0,,,0.0,,0.0,,
COCCCNC(=O)Cn1cc(C(=O)C2CC2)c2ccccc21,CID648985,,0.0,0.0,,,,0.0,,0.0,,0.0,,,,,,0.0
COC(=O)Cn1cc(C(=O)C2CC2)c2ccccc21,CID963193,,,,,,,0.0,,0.0,,0.0,,,0.0,,0.0,
CCOC(=O)Cn1cc(C(=O)C2CC2)c2ccccc21,CID651139,,0.0,,,,,0.0,,0.0,0.0,,,,,,0.0,
COc1ccc(C2(O)CCN(Cc3nnnn3Cc3ccc(C)cc3)CC2)cc1,CID644424,,,0.0,,,,,,,,,,,,,,0.0
Cc1ccc(Cn2nnnc2CN2CCC(O)(c3ccc(F)cc3)CC2)cc1,CID654324,,0.0,0.0,0.0,,,,,,,,,0.0,0.0,,,
COc1ccc(C2(O)CCN(Cc3nnnn3Cc3ccc(F)cc3)CC2)cc1,CID650388,,,,,,,,,,,,0.0,,,,,
Cc1ccc(Cn2nnnc2CN2CCC(O)(c3ccccc3F)CC2)cc1,CID644691,,,0.0,,,,,,,,,,,,,,
O=C(Nc1ccccc1N1CCN(c2ccccc2)CC1)c1cccc(F)c1,CID645139,0.0,,,,,,,0.0,,,,0.0,,,,,
O=C(Nc1ccccc1N1CCN(c2ccc(F)cc2)CC1)c1ccccc1,CID647282,0.0,,,,,,,0.0,,,,,0.0,,,,
O=C(Nc1ccccc1N1CCN(c2ccccc2)CC1)c1ccccc1F,CID1456370,,,,,,,,,,,,,,,0.0,,
Cc1cccc(C(=O)Nc2ccccc2N2CCN(c3ccc(F)cc3)CC2)c1,CID1456376,,,,,,,,,,,0.0,0.0,,,,,
CCOc1ccc(NC(=O)N2CCN(c3nc4ccccc4s3)CC2)cc1,CID3237073,0.0,0.0,0.0,,0.0,0.0,0.0,,,,0.0,,,,,0.0,0.0
CSc1ccc(NC(=O)N2CCN(c3nc4ccccc4s3)CC2)cc1,CID9550815,,,,,,,,,,0.0,,,,,,,
O=C(Nc1ccccc1)N1CCN(c2nc3ccccc3s2)CC1,CID888783,0.0,0.0,,0.0,0.0,,,,,,0.0,,,,,0.0,0.0
O=C(Nc1ccc(F)cc1)N1CCN(c2nc3ccccc3s2)CC1,CID3240234,0.0,0.0,0.0,,0.0,,,,,,,,,,,0.0,
O=C(CSc1nnc(CN2CCCCCC2=O)n1-c1ccccn1)NCC(F)(F)F,CID2997717,,0.0,,,0.0,,0.0,,,,,,,,,,
CC(C)CNC(=O)CSc1nnc(CN2CCCCCC2=O)n1-c1ccccn1,CID2997894,0.0,,,0.0,0.0,,,,0.0,,,,0.0,,,,
CC(C)(C)NC(=O)CSc1nnc(CN2CCCCCC2=O)n1-c1ccccn1,CID3000062,,0.0,0.0,0.0,0.0,0.0,,,,,0.0,,0.0,,,0.0,
CC(C)N(C(=O)CSc1nnc(CN2CCCCCC2=O)n1-c1ccccn1)C(C)C,CID2999189,0.0,,,,0.0,,,0.0,,,,,,,,0.0,
CCOC(=O)c1c(C)nc2c(c1-c1ccccc1)C(=O)c1ccccc1-2,CID974193,,,,,,,,,,,,0.0,,,,,
Cc1nc2c(c(-c3ccccc3)c1C#N)C(=O)c1ccccc1-2,CID752980,,,,,,,,,,0.0,,,,,,,
COc1ccc(-c2c(C#N)c(C)nc3c2C(=O)c2ccccc2-3)cc1,CID947086,,,,,,,,,,,,0.0,,0.0,,,
CCOC(=O)c1c(C)nc2c(c1-c1cc(OC)c(OC)c(OC)c1)C(=O)c1ccccc1-2,CID1215122,,,,,,,,,,,,0.0,,,,,
CCCNC(=O)N1CCN(c2ncccn2)CC1,CID2056701,,0.0,0.0,,,,,0.0,,,,0.0,,,,,
CS(=O)(=O)N1CCN(c2ncccn2)CC1,CID841759,0.0,,0.0,,,,,,,,,0.0,0.0,,,,
CCOC(=O)N1CCN(c2nc(C)cc(C(F)(F)F)n2)CC1,CID2987674,,,,,0.0,,,,0.0,,,,,,,,
CCCCNC(=O)N1CCN(c2ncccn2)CC1,CID16189770,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)c2nc3c(n2O)CCCC3)cc1OC,CID755646,,,,,,0.0,,,,,,,,,,,
CCCOc1ccc(C(=O)c2nc3c(n2O)CCCC3)cc1,CID666787,,,,,0.0,,0.0,,,,,0.0,,,,,0.0
CCOc1ccc(C(=O)c2nc3c(n2O)CCCC3)cc1,CID777949,,0.0,0.0,0.0,0.0,0.0,0.0,,,0.0,,0.0,0.0,,,,
Cc1ccc(C(=O)c2nc3c(n2O)CCCC3)cc1,CID799625,,,,,,,,,,0.0,,0.0,,,0.0,,
CCc1nc2ccccc2c(=O)n1NC(=O)c1c(O)n(CC)c2ccccc2c1=O,CID983222,,,,,,,,,,,,,,0.0,,,
CCc1nc2ccccc2c(=O)n1NC(=O)c1c(O)[nH]c2ccccc2c1=O,CID657703,,0.0,0.0,0.0,,,,0.0,,,,,,,,,
CCn1c(O)c(C(=O)Nn2c(C)nc3ccccc3c2=O)c(=O)c2ccccc21,CID650984,,,,0.0,,,,,,,,,,,,,
Cc1nc2ccccc2c(=O)n1NC(=O)c1c(O)n(C)c2ccccc2c1=O,CID2870733,,,,,,,,,,,,,0.0,,,,
CCSc1nc2c(c(-c3ccc(C)o3)c1C#N)CCCC2,CID9549095,,,,,,,,,,,0.0,0.0,,,,,
CCOC(=O)CSc1nc2c(c(-c3ccc(C)o3)c1C#N)CCCC2,CID1378506,0.0,,0.0,,,,,0.0,,,,,,0.0,,,
COC(=O)CSc1nc2c(c(-c3ccco3)c1C#N)CCCC2,CID658171,,,,,,0.0,0.0,,0.0,,,0.0,0.0,0.0,,,0.0
COC(=O)CSc1nc2c(c(-c3ccc(C)o3)c1C#N)CCCC2,CID657871,0.0,,,,,,,,0.0,,0.0,,0.0,,,,0.0
COc1ccccc1C(=O)Nc1ccc2c(c1)nc1n2CCSC1,CID667164,0.0,0.0,,,0.0,0.0,0.0,,,,0.0,,0.0,,,0.0,0.0
COc1ccc(C(=O)Nc2ccc3c(c2)nc2n3CCSC2)cc1,CID666436,0.0,0.0,,,0.0,,,,,,0.0,0.0,,,,0.0,0.0
O=C(Nc1ccc2c(c1)nc1n2CCSC1)c1ccccc1,CID667217,,0.0,,0.0,,,0.0,,,,,0.0,,,,,
Cc1ccc(C(=O)Nc2ccc3c(c2)nc2n3CCSC2)cc1,CID667386,0.0,0.0,0.0,,0.0,,,,,,0.0,0.0,,,,,0.0
Cc1ccc(N(C(=O)C2CCCC2)C2C=CS(=O)(=O)C2)cc1C,CID3244561,,,,,,,,0.0,,,,,,,,,0.0
Cc1cc(C)cc(N(C(=O)C2CCCC2)C2C=CS(=O)(=O)C2)c1,CID3236776,,,,,,,,0.0,0.0,0.0,,,,,,,
Cc1ccc(N(C(=O)C2CCCC2)C2C=CS(=O)(=O)C2)cc1,CID2983557,,,,,,,0.0,,,,,,0.0,0.0,,,0.0
O=C(C1CCCC1)N(c1ccccc1)C1C=CS(=O)(=O)C1,CID3235592,,,,,,,,,0.0,,,,,,,,
Cc1cc(Nc2ccccc2)nn1C(=O)c1ccccc1,CID1218140,0.0,,,,,0.0,0.0,0.0,,,,0.0,0.0,,,0.0,
Cc1cc(Nc2ccccc2)nn1C(=O)c1ccc(Cl)cc1,CID867770,,,,,,,,,,,,,,,0.0,,
Cc1cc(Nc2ccccc2)nn1C(=O)c1ccc([N+](=O)[O-])cc1,CID811889,,,,,,,,,0.0,,,,,,0.0,,
Cc1cc(Nc2ccccc2)nn1C(=O)c1ccc(Br)cc1,CID2257388,,,,,,,,,,,0.0,0.0,,,,,
CCOc1ccc(C2C(C#N)=C(N)N3C(=C2C#N)Sc2ccccc23)cc1,CID627763,,,,,,,0.0,,,,0.0,,,,,,
CC(C)c1ccc(C2C(C#N)=C(N)N3C(=C2C#N)Sc2ccccc23)cc1,CID3766432,,,,,,,,,,,0.0,,,,,,
COc1ccc(C2C(C#N)=C(N)N3C(=C2C#N)Sc2ccccc23)cc1,CID2861155,,,,,,0.0,,,,,0.0,,,,,0.0,
N#CC1=C(N)N2C(=C(C#N)C1c1ccccc1)Sc1ccccc12,CID621538,,,,,,,,,,0.0,0.0,,,,0.0,0.0,
CCn1c(COc2ccccc2C)nnc1SCC(=O)NCc1ccccc1,CID647490,0.0,,0.0,,,0.0,,,,0.0,,,,,,0.0,0.0
Cc1ccccc1OCc1nnc(SCC(=O)NCc2ccccc2)n1C,CID651530,0.0,0.0,0.0,,0.0,,0.0,,,,0.0,,,,,0.0,0.0
Cc1ccc(OCc2nnc(SCC(=O)NCc3ccccc3)n2C)cc1,CID644998,0.0,0.0,,,0.0,,0.0,0.0,,,,,,,,,0.0
Cn1c(COc2ccccc2)nnc1SCC(=O)NCc1ccccc1,CID645439,0.0,0.0,,0.0,0.0,0.0,,,,,0.0,,,,0.0,,0.0
CS(=O)(=O)n1nc(-c2ccc(Cl)cc2)nc1SCc1ccccc1,CID1051128,,,,,,,,,0.0,,,,,0.0,,,
CCS(=O)(=O)n1nc(-c2ccccc2)nc1SCc1ccccc1,CID1288104,,,,,0.0,,0.0,,0.0,,0.0,,0.0,0.0,0.0,,
COc1ccc(-c2nc(SCc3ccccc3)n(S(C)(=O)=O)n2)cc1,CID1288384,,,,,,,,,0.0,,0.0,,,,0.0,,
CCS(=O)(=O)n1nc(-c2ccc(Cl)cc2)nc1SCc1ccccc1,CID1051135,,,,,,,,,0.0,,,,,0.0,,,
O=C(O)CSc1nnc(Cc2ccccc2)n1-c1ccccc1,CID764336,,,0.0,,0.0,,,0.0,,,,,0.0,,,0.0,0.0
CCOC(=O)CSc1nnc(Cc2ccccc2)n1-c1cccc(Cl)c1,CID1164115,,,,,,0.0,,,,,,0.0,,,,,
CCOC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(C)cc1,CID1144351,,,,,,,,,0.0,,,,,0.0,,,
COC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(C)cc1,CID1144352,,,,,,,,,,0.0,,,,,,,
COc1ccc(C(=O)COC(=O)CN2CC(=O)Oc3ccccc32)cc1Br,CID660251,0.0,,,,,,0.0,,,,0.0,,,,,,
O=C(CN1CC(=O)Oc2ccccc21)OCC(=O)c1ccc(Br)cc1,CID1585889,,,,,,,,,0.0,,,,,,,,
O=C(CN1CC(=O)Oc2ccccc21)OCC(=O)c1ccccc1,CID650249,,,0.0,,,,0.0,0.0,,,,,0.0,,0.0,,0.0
O=C(CN1CC(=O)Oc2ccccc21)OCC(=O)c1cccc(Br)c1,CID3236031,0.0,,,,,,0.0,,0.0,,0.0,0.0,,,,,
CCCn1c(SCC(=O)NCCc2ccc(OC)c(OC)c2)nc2c1c(=O)n(C)c(=O)n2C,CID646978,,,,,,,,0.0,,,,,,,,,
COc1ccc(CCNC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C(C)C)cc1OC,CID645459,,,,,,,0.0,0.0,,,,,,,,,
CCCCn1c(SCC(=O)NCCc2ccc(OC)c(OC)c2)nc2c1c(=O)n(C)c(=O)n2C,CID655312,,,,0.0,,,0.0,,,,,,,,,,0.0
CCn1c(SCC(=O)NCCc2ccc(OC)c(OC)c2)nc2c1c(=O)n(C)c(=O)n2C,CID650004,,,,,,,,0.0,,,0.0,,,,,,
CC(C)C(NS(=O)(=O)c1ccccc1)C(=O)OCC(=O)NC(=O)c1cccn1C,CID2491781,,,,,,,,,0.0,,,,,,,,
Cc1ccc(S(=O)(=O)NC(C(=O)OCC(=O)NC(=O)c2cccn2C)C(C)C)cc1,CID2998305,,,,,0.0,,,,0.0,,,,0.0,,,,
Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NC(=O)c2cccn2C)cc1,CID2438073,,,,,,,,,0.0,,,,,,,,
CN(CC(=O)OCC(=O)NC(=O)c1cccn1C)S(=O)(=O)c1ccc(Cl)cc1,CID2530755,,,,,,,,,0.0,,,,,,,,
O=C1CC(c2ccccc2)C(=O)N1c1cccc(O)c1,CID2946011,,0.0,,,,,,,,,,,,,,,
COc1ccc(N2C(=O)CC(c3ccc(OC(C)C)cc3)C2=O)cc1,CID2876329,0.0,,,0.0,,,,,,,,,,,,,
CC(C)Oc1ccc(C2CC(=O)N(c3ccc(N(C)C)cc3)C2=O)cc1,CID3131820,,,,,,,,,0.0,0.0,,,,,,,
CC(C)Oc1ccc(C2CC(=O)N(c3cccc(C(=O)O)c3)C2=O)cc1,CID3144204,,,0.0,,,,0.0,,,,,,0.0,,,,
COc1ccc(-n2c(=O)cc(N3CCN(Cc4ccccc4)CC3)[nH]c2=O)cc1,CID5310379,,,,,,,,0.0,,,,,,,,,0.0
Cc1ccccc1-n1c(=O)cc(N2CCN(Cc3ccccc3)CC2)[nH]c1=O,CID5310528,,,0.0,,,,,,,,,,0.0,,,,
Cc1ccc(-n2c(=O)cc(N3CCN(Cc4ccccc4)CC3)[nH]c2=O)cc1,CID7080748,,,,,,,,,,,,0.0,,,,,
O=c1cc(N2CCN(Cc3ccccc3)CC2)[nH]c(=O)n1-c1cccc(C(F)(F)F)c1,CID3242476,,,,,0.0,,,,,,,,,,,,
Fc1ccc(-c2n[nH]c(=S)n2CC2CCCO2)cc1,CID2945543,,,,,,,,,,0.0,,,,0.0,,,
S=c1[nH]nc(-c2ccccc2Cl)n1CC1CCCO1,CID2945000,,,,0.0,0.0,,,,,,,,,,,,0.0
S=c1[nH]nc(-c2ccc(Cl)cc2)n1CC1CCCO1,CID3717630,,,,,,,,,,,,,,,0.0,,
S=c1[nH]nc(-c2ccccc2)n1CC1CCCO1,CID2981009,,0.0,,0.0,0.0,,,,,,0.0,,,,,0.0,
O=C(CN1CCC(NC(=O)c2ccccc2)CC1)NCc1ccccc1F,CID650083,0.0,,0.0,,,,,0.0,,,,0.0,,,,,
COc1cccc(C(=O)NC2CCN(CC(=O)NCc3ccccc3OC)CC2)c1,CID646400,,,,,,,,0.0,0.0,,,,0.0,,,0.0,
O=C(CN1CCC(NC(=O)c2cccc(F)c2)CC1)NCc1ccccc1F,CID651951,,,0.0,,,,,,,0.0,,,,,,,0.0
O=C(CN1CCC(NC(=O)c2ccc(F)cc2)CC1)NCc1ccccc1F,CID651984,0.0,,,,,,,,,,,,,,,,
CCc1cc2c(=O)c(-c3nc4ccccc4n3C)coc2c(CN2CCN(C)CC2)c1O,CID1130523,,,0.0,,,,,0.0,,,,0.0,0.0,,,,0.0
CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C(C)C)oc2c(CN2CCN(C)CC2)c1O,CID1386806,,,,,,,,0.0,,,,,,,,,0.0
CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C)oc2c(CN2CCN(CCO)CC2)c1O,CID1278654,,,,,,0.0,0.0,0.0,,,,,,,,,
CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C)oc2c(CN2CCN(C)CC2)c1O,CID644994,0.0,0.0,0.0,,,0.0,,0.0,,,,,0.0,,,,0.0
CC1=CC(C)(C)N(C(=O)c2ccccc2)c2ccc(C)cc21,CID1239473,,,,,,0.0,,,,,,,,,,,
Cc1ccc2c(c1)C=CC(C)N2C(=O)c1ccccc1,CID3724077,,,,,,0.0,,,0.0,,,,,,,,
CC1=CC(C)(C)N(C(=O)c2ccccc2)c2ccccc21,CID698302,,,,,,,0.0,,,,0.0,,,,,,
CC1C=Cc2ccccc2N1C(=O)c1ccccc1,CID2998966,,,0.0,,,,0.0,0.0,0.0,,,,,,,,
CCSc1nc(=O)c(C2OC(=O)c3c2ccc(OC)c3OC)c(O)n1-c1ccccc1,CID658658,,,,,0.0,,,0.0,,,0.0,,,,,0.0,0.0
COc1ccc2c(c1OC)C(=O)OC2c1c(O)n(-c2ccccc2)c(SC)nc1=O,CID659487,,0.0,,,0.0,,,0.0,,,,,,,,,0.0
CCCSc1nc(=O)c(C2OC(=O)c3c2ccc(OC)c3OC)c(O)n1-c1ccccc1,CID4440184,,,,,,,,,,,,,,,0.0,,
CCCCCCSc1nc(=O)c(C2OC(=O)c3c2ccc(OC)c3OC)c(O)n1-c1ccccc1,CID3882410,,,,,,,,,,0.0,,,,,,,
COc1ccc(/N=C2/S/C(=C\c3cccs3)C(=O)N2CC(C)C)cc1,CID1813292,,,,,,,,,,,,,,,0.0,,
CN1C(=O)/C(=C/c2cccs2)S/C1=N/c1ccc(C(=O)O)cc1,CID1804392,,,,,,,,,,,,,,,0.0,,
CCCN1C(=O)/C(=C/c2ccc(C)s2)S/C1=N/c1ccc(OC)cc1,CID1813003,,,,,,,,,,,,,,,0.0,,
CCN1C(=O)/C(=C/c2cccs2)S/C1=N/c1ccc(OC)cc1,CID1813141,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C1=C(C)NC(=O)NC1c1cn(-c2ccccc2)nc1-c1cccs1,CID2911344,,,,,,,,0.0,,0.0,,,,,,,0.0
COCCOC(=O)C1=C(C)NC(=O)NC1c1cn(-c2ccccc2)nc1-c1cccs1,CID2997714,,,0.0,,,,,,,,,,,,,,
COC(=O)C1=C(C)NC(=O)NC1c1cn(-c2ccccc2)nc1-c1cccs1,CID2999225,,,,,,,0.0,,0.0,,0.0,,,,,,
C=CCOC(=O)C1=C(C)NC(=O)NC1c1cn(-c2ccccc2)nc1-c1cccs1,CID3243136,,0.0,,,,,,,,,,,,,,,
S=C(c1ccc(-c2cccc(Cl)c2)o1)N1CCOCC1,CID732502,0.0,,,,,,,,,,,,,0.0,,,0.0
S=C(c1ccc(-c2ccccc2Cl)o1)N1CCOCC1,CID732503,,0.0,,,,,,,,0.0,,,,0.0,,,
S=C(c1ccc(-c2ccc(Cl)c(Cl)c2)o1)N1CCOCC1,CID947873,,,,,,,0.0,,,,,,,,,,
O=[N+]([O-])c1cccc(-c2ccc(C(=S)N3CCOCC3)o2)c1,CID723068,,,,,,,,,,,,,,,0.0,,
Cn1c(N)c(C(=O)COC(=O)C2(c3cccc(F)c3)CCCC2)c(=O)n(C)c1=O,CID2407276,,,0.0,,,,,,,,,,,,,,
Cn1c(N)c(C(=O)COC(=O)C2(c3ccc(F)cc3)CCCC2)c(=O)n(C)c1=O,CID2361426,,,,,,,0.0,0.0,,,,,,,,,
Cn1c(N)c(C(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)c(=O)n(C)c1=O,CID2342536,,,,,,,,,,0.0,0.0,,,,,,
Cn1c(N)c(C(=O)COC(=O)C2(c3ccccc3F)CCCC2)c(=O)n(C)c1=O,CID2351104,,,,,,0.0,,,,,,,,,,,
Cc1cccc(C(=O)n2c(=S)nc3ccccn32)c1,CID622877,,,,,,0.0,,,,,0.0,,,,0.0,,
O=C(c1ccccc1)n1c(=S)nc2ccccn21,CID659508,,0.0,,0.0,,,0.0,,,0.0,0.0,,,,,,0.0
Cc1ccc(C(=O)n2c(=S)nc3ccccn32)cc1,CID577334,,,,,,,,,,0.0,0.0,0.0,,,,,
Cc1ccn2c(c1)nc(=S)n2C(=O)c1ccccc1,CID921913,,,,,,,,,,,,,,,0.0,,
Cc1ccccc1Cn1nc(C)c(NC(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)c1C,CID651382,0.0,,,,,,,,,,,,,,,,
Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1,CID646633,0.0,,,,,,,,,,,,,,,,
O=C(Nc1cnn(Cc2ccccc2)c1)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1,CID651710,0.0,,,,,,,,,,,,,,,,
O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1,CID654644,0.0,,,,,,,,,,,,,,,,
COc1ccc(OC)c(N2C(=O)NC(=O)C(CCc3ccncc3)(CCc3ccncc3)C2=O)c1,CID2917778,,,,,,,0.0,,0.0,,,0.0,0.0,,,,
CCOc1ccccc1N1C(=O)NC(=O)C(CCc2ccncc2)(CCc2ccncc2)C1=O,CID2918174,,,,,,,,,,,1.0,0.0,,,,,
COc1ccccc1N1C(=O)NC(=O)C(CCc2ccncc2)(CCc2ccncc2)C1=O,CID2917691,,,,,,,,,,,,,,0.0,,,
COc1ccc(N2C(=O)NC(=O)C(CCc3ccncc3)(CCc3ccncc3)C2=O)cc1,CID2918590,,,,,,,,,,,,0.0,,,,,
CCOC(=O)N1CCN(C(=O)CS(=O)(=O)c2cn(Cc3ccccc3Cl)c3ccccc23)CC1,CID5070787,,,,,,,,,,,0.0,,,,,,
CCOC(=O)N1CCN(C(=O)CS(=O)(=O)c2cn(Cc3ccccc3C)c3ccccc23)CC1,CID3244257,,,,,,,,,,,,,,,,,0.0
CCOC(=O)N1CCN(C(=O)CS(=O)(=O)c2cn(Cc3ccc(F)cc3)c3ccccc23)CC1,CID4086973,,,,,,,,0.0,,,,,,,,,
CCOC(=O)N1CCN(C(=O)CS(=O)(=O)c2cn(Cc3cccc(F)c3)c3ccccc23)CC1,CID3237145,,0.0,,,,,,,,,,,,,,0.0,0.0
N#CC1=C(N)NC(SCc2ccccc2)=C(C#N)C12CCCCC2,CID1380388,,,,,,,,0.0,,0.0,0.0,,,,,0.0,
N#CC1=C(N)NC(SCc2ccc(Cl)cc2)=C(C#N)C12CCCCC2,CID659295,,,,,0.0,,,,,,,,,,,0.0,
N#CC1=C(N)NC(SCc2ccc(F)cc2)=C(C#N)C12CCCCC2,CID658028,0.0,0.0,,,,,,,,0.0,,,,,,0.0,
N#CC1=C(N)NC(SCc2ccc(Br)cc2)=C(C#N)C12CCCCC2,CID1215650,,,,,,,,,0.0,,0.0,,,,,,
CCN(CC)C(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1,CID647252,0.0,,,,,,0.0,,,,0.0,,0.0,,,0.0,0.0
COC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1,CID651359,,0.0,0.0,,,0.0,,,,,0.0,,,,,,
CC(C)(C)NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1,CID655446,,0.0,,0.0,0.0,,0.0,0.0,0.0,,0.0,,,,,0.0,0.0
CCOC(=O)CNC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1,CID663448,,,0.0,,,0.0,,,,,,,,0.0,,,0.0
CN(C)c1ccc(NC(=O)c2cnsn2)cc1,CID900724,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(NC(=O)c2cnsn2)cc1,CID900722,0.0,,,0.0,,,0.0,,,,,,,,,,0.0
CC(=O)c1ccc(NC(=O)c2cnsn2)cc1,CID977067,,,,,,,,,,,,,,,0.0,,
COc1cccc(NC(=O)c2cnsn2)c1,CID973104,,,,,,,,,,0.0,,0.0,,,,,
CCOc1ncccc1C(=O)N1CCN(c2cc(Cl)ccc2C)CC1,CID2119758,,,,,,,,,,,,,,0.0,,,
O=C(c1cncc(Br)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1,CID2910819,,,,,,,,,,,,,,,0.0,,
COc1cccc(N2CCN(C(=O)c3cccnc3)CC2)c1,CID1245813,,0.0,,0.0,,,,,,,,,,,,,
COc1ccc(N2CCN(C(=O)c3cccnc3)CC2)c([N+](=O)[O-])c1,CID2968424,,,,,,,,,,,,,,,0.0,,
Cc1ccc(-n2c(=O)c(C#N)cc3c(=O)n4cccc(C)c4nc32)cc1,CID9550569,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-n2c(=O)c(C#N)cc3c(=O)n4ccccc4nc32)cc1,CID3238489,,0.0,,0.0,,,,,,0.0,0.0,,0.0,,,,
Cc1ccccc1-n1c(=O)c(C#N)cc2c(=O)n3ccccc3nc21,CID9550812,,,,,,,,,,0.0,,0.0,,,,,
Cc1cccc(-n2c(=O)c(C#N)cc3c(=O)n4ccccc4nc32)c1,CID9550767,,,,,,,,,,,,0.0,,,,,
Cc1ccc(CN(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)N(C)C)cc1,CID656227,,,,,,,,,,,,,,,,,0.0
Cc1cccc2cc(CN(Cc3ccccc3)C(=O)N(C)C)c(=O)[nH]c12,CID645816,0.0,,0.0,,0.0,,,0.0,,,,0.0,,,,,0.0
COc1ccc(CN(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)N(C)C)cc1,CID649522,0.0,0.0,0.0,,0.0,0.0,,,,,0.0,,,,,,0.0
COc1ccc(CN(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)N(C)C)cc1,CID654410,0.0,,0.0,0.0,0.0,,,0.0,,,,,,,,0.0,0.0
COc1ccc(OCCC(=O)NCc2ccccc2)cc1,CID974838,,0.0,,,,,0.0,0.0,,0.0,0.0,,,,,0.0,
O=C(CCOc1ccccc1)NCc1ccccc1,CID725617,,,,,,,,,0.0,0.0,0.0,,0.0,0.0,,0.0,0.0
COc1ccc(CNC(=O)CCOc2ccc(C(C)(C)C)cc2)cc1,CID2413133,,,,,,,,,,,0.0,,,,,,
CC(NC(=O)CCOc1ccccc1)c1ccccc1,CID2882973,,,,,,,,,,,0.0,,,,,,
COc1ccc(N(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C2C=CS(=O)(=O)C2)cc1,CID3244013,,,,,0.0,,,,0.0,,,,,,,,
O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccc(F)cc1)C1C=CS(=O)(=O)C1,CID3245250,,,,,0.0,,,,,,,,,,,,
O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccccc1)C1C=CS(=O)(=O)C1,CID3243965,,,,,0.0,,,,0.0,,,,0.0,,,,
Cc1ccc(N(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C2C=CS(=O)(=O)C2)cc1,CID3239122,,,,,0.0,,,,,,0.0,,0.0,,,,
Cc1c(C(=O)O)oc2c1ccc1ccccc12,CID2402161,,,,,,,,0.0,0.0,,0.0,,,,,0.0,
CCOC(=O)c1c(C)oc2c1cc(O)c1ccccc12,CID678599,,,,,,,0.0,0.0,,,0.0,,,,,0.0,
CC(=O)c1coc2c1cc(O)c1ccccc12,CID2054569,,,,,,0.0,,,,,,0.0,,,,,
CC(=O)Oc1cc2c(C(C)=O)coc2c2ccccc12,CID614604,,,0.0,,,,,,0.0,,,,,0.0,,,
CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1-c1ccco1,CID2194184,,,,,,,,,,,,0.0,,,0.0,,
CCn1c(SCC(=O)Nc2sc3c(c2C(N)=O)CCC(C)C3)nnc1-c1ccco1,CID4881225,,,,,,0.0,,,,,,,,,,,
NC(=O)c1c(NC(=O)CSc2nnc(-c3ccco3)n2N)sc2c1CCCC2,CID2576460,,,,,,,,,,,,0.0,,,,,
CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCC(C(C)(C)C)C3)nnc1-c1ccco1,CID2942444,,,,,,0.0,,,,,,0.0,,,,,
CN(C1=C(N2CCCCC2)C(=O)c2ccccc2C1=O)c1ccccc1,CID631429,,,,,,,,,0.0,,,0.0,,,,,
Cc1ccc(NC2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)cc1,CID2833933,,,,,,,,,,,,0.0,,,,,
COc1ccccc1NC1=C(N2CCCCC2)C(=O)c2ccccc2C1=O,CID1388836,,,,,,,,,,,,,,0.0,,,
O=C1C(Nc2cccc(O)c2)=C(N2CCCCC2)C(=O)c2ccccc21,CID2850825,,,,,,0.0,,,,,,,,,,,
CCOC(=O)N1CCC(NC(=O)CCC(=O)N2CC(C)Oc3ccc(Cl)cc32)CC1,CID3242868,,,,,,,,,,,,,0.0,,,0.0,0.0
CCOC(=O)N1CCC(NC(=O)CCC(=O)N2CC(C)Oc3ccc(C)cc32)CC1,CID3238414,,,0.0,,,0.0,,,,,,,,,,,
CCOC(=O)N1CCC(NC(=O)CCC(=O)N2CCOc3ccc(C)cc32)CC1,CID3239842,,,,,,0.0,,0.0,,,,,,,,,
CCOC(=O)N1CCC(NC(=O)CCC(=O)N2CC(C)Oc3ccccc32)CC1,CID3240445,,,,0.0,,0.0,,,,,,,,,,,
CCCN(CCC)C(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1,CID3242866,0.0,,,,,,0.0,,,,,,,,,,
COC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C1CCCC1,CID2102658,0.0,0.0,,0.0,0.0,,0.0,,,,,,0.0,0.0,,,0.0
CCCCNC(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1,CID3245927,,,,,0.0,,0.0,,,0.0,0.0,,,,,,
CCOC(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1,CID866373,,,,0.0,,,,0.0,0.0,,,0.0,0.0,0.0,,,0.0
Cc1ccccc1CS(=O)(=O)Cc1ccc(C(=O)NCC2CCCO2)o1,CID3242867,,,,,,,0.0,0.0,,,,,,,,0.0,
O=C(NCC1CCCO1)c1ccc(CS(=O)(=O)Cc2ccc(F)cc2)o1,CID3238660,,0.0,,,,,,,,,,0.0,,,,,
Cc1cccc(CS(=O)(=O)Cc2ccc(C(=O)NCC3CCCO3)o2)c1,CID3244479,,,0.0,,,,,,,,,,,,,0.0,
Cc1ccc(CS(=O)(=O)Cc2ccc(C(=O)NCC3CCCO3)o2)cc1,CID3239841,,,,,,,0.0,,,,,,0.0,,,0.0,
Cc1ccc(-n2c(SCC(N)=O)nnc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C)c1,CID1431538,,,,,,,,,0.0,,,0.0,,,,,
NC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)n1-c1ccccc1,CID1154699,,,,,,0.0,,,,,0.0,0.0,,,,,
COc1ccccc1-n1c(SCC(N)=O)nnc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1,CID647363,,,,,,0.0,,,0.0,0.0,,,0.0,,,,0.0
COc1ccccc1-n1c(SCC(=O)O)nnc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1,CID653041,0.0,,,,,,,,,,0.0,,0.0,,,,0.0
Cc1ccc(S(=O)(=O)N/C(=N/C(C)C(=O)O)c2ccccc2)cc1,CID2873199,,,,,,,0.0,0.0,,,,,,,,0.0,
Cc1ccc(S(=O)(=O)N/C(=N/CC(=O)O)c2ccc(F)cc2)cc1,CID2197533,,,,,,,,,,,,,,0.0,,,
O=C(O)C/N=C(/NS(=O)(=O)c1ccccc1)c1ccccc1,CID2176994,,,,0.0,,,0.0,,,,,,,,,0.0,
Cc1ccc(S(=O)(=O)N/C(=N/CC(=O)O)c2ccccc2)cc1,CID2177174,,,,0.0,,,,0.0,,,,,,,,,
CC1Oc2ccccc2OC1C(=O)Nc1ccccn1,CID3149209,,,,,,,,,,0.0,0.0,,,,0.0,,
Cc1ccc(NC(=O)C2COc3ccccc3O2)nc1,CID2910626,,,,,,,,,,0.0,0.0,,,,,,
O=C(Nc1ccccn1)C1COc2ccccc2O1,CID2850338,,,,,,,,,,0.0,,0.0,,,0.0,,
O=C(Nc1ccc(Cl)cn1)C1COc2ccccc2O1,CID3155499,,,,,,,,,,,,,,0.0,,,
COc1cccc(CNc2ccc(S(N)(=O)=O)cc2)c1OCc1ccccc1F,CID979804,,,,,,,,,,,,,,0.0,,,
Oc1ccc(NCc2ccccc2OCc2ccccc2F)cc1,CID833976,,,,,,,,,,,,,,0.0,,,
N#CC(Nc1ccccc1)c1ccccc1OCc1ccccc1,CID3414630,,,,,,,,,,,,0.0,,,,,
Cc1ccc(NC(C#N)c2ccccc2OCc2ccccc2)cc1,CID3502382,,,,,,0.0,,,,,,,,,,,
CCC1=NC(c2ccccc2OC)N(O)C1(C)C,CID2843908,,,,,,,,0.0,,0.0,,,,,,,
CCC1=NC(c2ccccc2Cl)N(O)C1(C)C,CID2843804,0.0,,,,,0.0,,,,0.0,,,,,,0.0,0.0
CCC1=NC(c2ccccc2)N(O)C1(C)C,CID2843860,,,,,,,,,,0.0,,,,,,,
CCC1=NC(c2ccc(OC)cc2)N(O)C1(C)C,CID2843670,,,,,,,,,,,0.0,,,,,,
CC(=O)OC1N=C(c2ccccc2)c2ccccc2NC1=O,CID661451,0.0,,,,0.0,0.0,,0.0,,,,,,,,,0.0
CC(=O)OC1N=C(c2ccccc2)c2cc(Br)ccc2NC1=O,CID627336,,,,,,,,,0.0,,0.0,,,,0.0,,
CN1C(=O)CN=C(c2ccc(Cl)cc2)c2cc(Cl)ccc21,CID1688,0.0,,,,,,,,,,,,,,,,
CC(=O)OC1N=C(c2ccccc2)c2cc(Br)ccc2N(C)C1=O,CID629081,,,,,,,,,,,,0.0,,,,,
COC(=O)c1c(C)oc2ccc(OC(=O)N3CCOCC3)cc12,CID662104,,,0.0,,,,,,,,,,0.0,,0.0,0.0,
CCOC(=O)c1c(C)oc2ccc(OC(=O)N3CCOCC3)cc12,CID650536,,,,,,,,,,,,,0.0,,,,
CCOC(=O)c1c(C)oc2cc(Br)c(OC(=O)N3CCOCC3)cc12,CID1080861,0.0,,,,,,,,,,0.0,0.0,,,,,0.0
Cc1oc2ccc(OC(=O)N3CCOCC3)cc2c1C(=O)OC(C)C,CID708278,,,,0.0,,,0.0,0.0,,,,,,0.0,0.0,,
COCCn1c(SCCCC(=O)c2ccc(Br)cc2)nnc1-c1ccncc1,CID2464572,,,,,,,,,0.0,,,,,,0.0,,
Cn1c(SCCCC(=O)c2ccc(Br)cc2)nnc1-c1ccncc1,CID2448221,,,,,,,,,0.0,,0.0,,,,,,
Cn1c(SCCCC(=O)c2ccc(F)cc2)nnc1-c1ccncc1,CID2161781,,,,,,0.0,,,0.0,,,,,,,,
Cn1c(SCCCC(=O)c2ccccc2)nnc1-c1ccncc1,CID2120163,0.0,0.0,,,,0.0,0.0,,,,,,,,,,
CC(=O)Nc1cccc(OC(=O)N2CCCCC2)c1,CID1258043,,,,,,,0.0,,,0.0,,,,,,,
CC(=O)Nc1ccc(OC(=O)N2CCCCC2)cc1,CID646724,,,0.0,,,,,,,0.0,,,,,,,
O=C(Oc1ccc(Cl)cc1)N1CCCCC1,CID726748,,0.0,0.0,,,,,,,,,,,,,0.0,
Cc1cc(OC(=O)N2CCCCC2)cc(C)c1Cl,CID977021,,,,0.0,,,0.0,,,,,,,0.0,,0.0,0.0
COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nccs2)c1,CID2201062,0.0,,,,0.0,,,0.0,,,0.0,,,,,0.0,0.0
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nccs2)cc1,CID1068314,,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nccs2)cc1OC,CID1068317,,,,,,,,,,0.0,,,,,,,
CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nccs2)cc1,CID1287415,,,,,,,,,,,0.0,,,,,,
O=C(Nc1ccccc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,CID6625442,,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccccc1C(F)(F)F)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,CID3241394,0.0,,0.0,,0.0,,,,,,,,,,,,0.0
CCOc1ccc(NC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1,CID5309355,0.0,,,,,,,0.0,,,,,,,0.0,,0.0
Cc1cccc(C)c1NC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,CID9551424,,,,,,,,,,,,0.0,,,,,
C=C(C)Cn1c(SCC(=O)NCc2ccco2)nc2sc3c(c2c1=O)CCC3,CID1291048,,,,,0.0,,0.0,,,0.0,0.0,,0.0,,0.0,,
COCCCn1c(SCC(=O)NCc2ccco2)nc2sc3c(c2c1=O)CCC3,CID655774,,,0.0,,0.0,,,,,,0.0,,,,,,
C=CCn1c(SCC(=O)NCc2ccco2)nc2sc3c(c2c1=O)CCC3,CID2886838,0.0,,,,0.0,,,,0.0,0.0,0.0,,,,0.0,,
C=CCn1c(SC(CCO)C(=O)NCc2ccco2)nc2sc3c(c2c1=O)CCC3,CID2927348,,,,,0.0,0.0,0.0,,,,,,,,,0.0,
CCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCSc2nc3ccccc3s2)CC1,CID1399779,,0.0,,0.0,,0.0,,,,0.0,0.0,0.0,,,,0.0,
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(CCO)CC1)n2CCSc1nc2ccccc2s1,CID5094907,,,,,,,0.0,,,,,,,,,0.0,
CN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCSc2nc3ccccc3s2)CC1,CID1387385,,0.0,,,,,,,0.0,,,0.0,,,,,0.0
CN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CCSc2nc3ccccc3s2)CC1,CID1391785,,,0.0,,,,,,,,,,,,,0.0,
FC(F)(F)c1cc(Oc2ccc(Cl)cc2)nc(-c2ccccn2)n1,CID1475725,,,,,,,,,,,,0.0,,,,,
FC(F)(F)c1cc(Oc2ccccc2Cl)nc(-c2ccccn2)n1,CID1478446,,,,,,,,,,,,,,0.0,,,
COc1cnc(-c2ccccn2)nc1Oc1ccc(Cl)cc1,CID3847340,,,,,,0.0,,,,,,,,,,,
COc1cnc(-c2ccccn2)nc1Oc1cccc(Cl)c1,CID3722206,,,,,,0.0,,,,,,,,,,,
CCOC(=O)CSc1cc(C(F)(F)F)nc(-c2ccccn2)n1,CID1475726,,,,,,,,,,,,0.0,,,,,
COc1cnc(-c2ccccn2)nc1NC(C)C,CID1470715,,,,,,,,,,,,,,0.0,,,
COC(=O)CSc1cc(C(F)(F)F)nc(-c2ccccn2)n1,CID1475715,,,,,,,,,,,,,,0.0,,,
CCN(CC)c1cc(C(F)(F)F)nc(-c2ccccn2)n1,CID1475718,,,,,,,,,,,,0.0,,,,,
CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)c2cccs2)cc1,CID1243228,,,,,,,,,,,,,,0.0,,,
CCCC(=O)Nc1ccc(C(=O)NNC(=O)c2cccs2)cc1,CID730639,,,,,,,,,,,,,,0.0,,,
O=C(NNC(=O)c1cccs1)c1ccccc1,CID790437,,,,,,,,,,,,,,,0.0,,
CC(=O)Nc1ccc(C(=O)NNC(=O)c2cccs2)cc1,CID809220,,,,,,,,,,,,,,0.0,,,
Cc1cccc2cc(=O)[nH]c(C)c12,CID3238513,,,,,,,,,,,,,,0.0,,0.0,
Cc1cc(C)c2c(C)[nH]c(=O)cc2c1,CID3237710,,,,,,0.0,,,,,,,,,,0.0,
Cc1ccc2c(C)[nH]c(=O)cc2c1,CID3240963,,,,,,0.0,,0.0,,,,,,,,,
Cc1[nH]c(=O)cc2ccccc12,CID3242031,,,,,,,,,,,0.0,,,,,0.0,
Cc1cc(S(=O)(=O)N(C)CCc2ccccc2)ccc1-n1cnnn1,CID654586,,,,,0.0,,,,,,0.0,,,,,0.0,
CCOc1cc(S(=O)(=O)NCCc2cccc(C)c2)c(OCC)cc1-n1cnnn1,CID653907,,,0.0,,,,,0.0,,,0.0,,,,,0.0,
CCOc1cc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)c(OCC)cc1-n1cnnn1,CID1428895,,,,,,,,,0.0,,0.0,,,,,,
CCOc1cc(S(=O)(=O)NCCc2ccccc2C)c(OCC)cc1-n1cnnn1,CID650336,,,,0.0,,,,0.0,,,0.0,,0.0,,,0.0,0.0
Cc1ccccc1C(=O)Oc1ccccc1C(=O)N1CCOCC1,CID794052,,,,,,,,,,,,,,0.0,0.0,,
O=C(Oc1ccccc1C(=O)N1CCOCC1)c1ccc(Br)cc1,CID1125854,,,,,,,,,0.0,,0.0,,,,0.0,,
O=C(Oc1ccccc1C(=O)N1CCOCC1)c1cccc(Br)c1,CID657858,0.0,,,,,,,,0.0,,,,,,,0.0,
O=C(Oc1ccccc1C(=O)N1CCOCC1)c1ccccc1,CID2193700,,,,,,,,,,,,,0.0,0.0,,,
O=C(c1ccc(COc2ccc(F)cc2)o1)n1cc(Br)cn1,CID1222676,,,,,,,,,0.0,,,,,,1.0,,
O=C(c1ccc(COc2ccc(F)cc2)o1)n1cccn1,CID3243758,,,,,,,0.0,0.0,,,,,,,,,
Cc1cc(OCc2ccc(C(=O)n3cccn3)o2)ccc1Cl,CID841187,,,,,,,,,,0.0,,,,0.0,,,
COc1ccccc1OCc1ccc(C(=O)n2nc(C)c(Cl)c2C)o1,CID1269665,,,0.0,,,,,,,,,,,,,0.0,
COc1ccc(-c2csc3ncn(-c4ccccc4)c(=O)c23)cc1OC,CID1082776,,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2csc3ncn(-c4cccc(C)c4)c(=O)c23)cc1OC,CID1082777,,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2csc3ncn(-c4ccc(C)cc4)c(=O)c23)cc1OC,CID1082750,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(-c2csc3ncn(-c4ccc(OC)cc4)c(=O)c23)cc1,CID1082736,,,,,,,,,,,,,,0.0,,,
COC(=O)c1cc2c(cn1)[nH]c1ccccc12,CID107704,,,,,,,,0.0,,,,,,,,,
CCOC(=O)c1cc2c(cn1)[nH]c1ccccc12,CID105078,,,,,,,,0.0,,,,,,,0.0,,
COC(=O)c1cc2c([nH]c3ccccc32)c(C)n1,CID5291723,,0.0,0.0,0.0,,,,,,,,,,,,0.0,
c1ccc2c(c1)[nH]c1cnccc12,CID64961,,,,,,,,0.0,,,,,,,,,
COC(=O)c1ccc(C(=O)Nc2ccc3nc(-c4cccnc4)[nH]c3c2)cc1,CID3153966,,,,,,,,,0.0,,,0.0,,,0.0,,
Nc1ccc(C(=O)Nc2ccc3nc(-c4cccnc4)[nH]c3c2)cc1,CID1084664,,,,,,,,,,0.0,0.0,,,,,,
O=C(Nc1ccc2nc(-c3cccnc3)[nH]c2c1)c1ccccc1F,CID1084667,,,,,,,,,,,0.0,0.0,,,,,
Nc1cccc(C(=O)Nc2ccc3nc(-c4cccnc4)[nH]c3c2)c1,CID649777,,,,,,,,,,,0.0,,,,,,
COc1ccccc1CC(=O)N1CCN(c2ccccn2)CC1,CID762691,,,,,,,,,,,0.0,,,,,,
COc1ccc(CC(=O)N2CCN(c3ccccn3)CC2)cc1,CID695685,0.0,,,,,,,,,,,,,,,,0.0
COc1ccc(CC(=O)N2CCN(c3ccccn3)CC2)cc1OC,CID846343,,,0.0,,,,,0.0,,,,,,,,,
Cc1ccc(CC(=O)N2CCN(c3ccccn3)CC2)cc1,CID894908,,,,,,0.0,,,,,,,,,0.0,,
O=C(/C=C\c1ccc(-c2ccccc2)o1)c1ccccc1,CID5708162,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1,CID5340266,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1,CID5340118,,,,,,0.0,,,,,,,,,,,
O=C(/C=C/c1ccc(-c2ccccc2)o1)c1ccc(F)cc1,CID5340563,,,,,,0.0,,,,,,,,,,,
CN1C(=O)CSc2ccc(NC(=O)Nc3ccccn3)cc21,CID3243427,,0.0,,,,,,,0.0,,,0.0,,,,0.0,
Cc1ccnc(NC(=O)Nc2ccc3c(c2)N(C)C(=O)CS3)c1,CID3244803,,0.0,0.0,,,,,,,,,,,,,,
Cc1cccc(NC(=O)Nc2ccc3c(c2)N(C)C(=O)CS3)n1,CID9551331,,,,,,,,,,0.0,,,,,,,
Cc1ccc(NC(=O)Nc2ccc3c(c2)N(C)C(=O)CS3)nc1,CID3245415,,0.0,,,,,,0.0,,,,,,,0.0,0.0,
COCCN(C(=O)c1cccc(OC)c1)c1nnc(-c2ccncc2)s1,CID650936,,,,,,,0.0,,0.0,,0.0,,,,,0.0,0.0
COc1cccc(C(=O)N(C)c2nnc(-c3ccncc3)s2)c1,CID1451751,,,,,,,,,,,0.0,0.0,,0.0,,,
CN(C(=O)c1cccc(C#N)c1)c1nnc(-c2ccncc2)s1,CID647154,,0.0,,,0.0,0.0,,0.0,,,0.0,,,,,,
Cc1cccc(C(=O)N(C)c2nnc(-c3ccncc3)s2)c1,CID654175,0.0,0.0,,0.0,,,0.0,,,,,,,,,,
COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC3=CCCCC3)CC2)cc1OC,CID1088328,,,,,0.0,,,,,0.0,0.0,,,,,,0.0
COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC3=CCCCC3)CC2)cc1C,CID1092886,,,,,,,,,,0.0,,,,,,,
COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)NCCC2=CCCCC2)CC1,CID1265021,,,,,,,,,,,0.0,,,,,,
COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NCCC3=CCCCC3)CC2)c1,CID1091446,,,0.0,,0.0,,,0.0,,0.0,0.0,,,,,0.0,
Cc1onc(-c2ccccc2)c1C(=O)NC(C)C1CCCO1,CID2970811,,,0.0,,,,,0.0,,0.0,,,,,,,0.0
Cc1onc(-c2ccccc2Cl)c1C(=O)NCC1CCCO1,CID2851814,,,0.0,0.0,,0.0,0.0,,0.0,0.0,,,,0.0,,,0.0
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCC1CCCO1,CID2851775,0.0,,,,,,,,,,,,,,,,
Cc1onc(-c2ccccc2)c1C(=O)NCC1CCCO1,CID2862845,,0.0,0.0,0.0,,,0.0,,,,,,,,,,
Cc1ccc(OCC(=O)Nn2cnnc2)c(Br)c1,CID814698,,,,,,,,,0.0,,,,,,0.0,,
O=C(COc1ccccc1Cl)Nn1cnnc1,CID772311,0.0,,,,,,0.0,,,0.0,,,,,0.0,0.0,
Cc1cc(OCC(=O)Nn2cnnc2)ccc1Br,CID660879,0.0,,,,,,,,0.0,,,,,,0.0,,0.0
Cc1cc(OCC(=O)Nn2cnnc2)c(C)cc1Br,CID1253774,0.0,,,,,,,,0.0,,,0.0,,,,0.0,
CCc1ccc(-n2c(SCc3c(C)noc3C)nnc2-c2ccncc2)cc1,CID2405577,,,,,,,,,,,0.0,,,,,,
Cc1noc(C)c1CSc1nnc(-c2ccncc2)n1-c1cccc(Cl)c1C,CID2083654,,0.0,0.0,,0.0,,,,,,0.0,,,,,,
Cc1noc(C)c1CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)c(Cl)c1,CID2377841,0.0,,,,0.0,,,,,,,0.0,,,,,
Cc1ccccc1-n1c(SCc2c(C)noc2C)nnc1-c1ccncc1,CID2999127,,0.0,,,0.0,,,,,,,,,,,,
Cc1ccnc2c(N3C(=O)C4C5C=CC(C5)C4C3=O)cccc12,CID2870951,,,,,,,,,,0.0,,,,,,,0.0
Cc1ccnc2c(N3C(=O)C4C5C=CC(C5)C4(C)C3=O)cccc12,CID5307431,,,,,,,,0.0,,,0.0,,,,0.0,,
CC12C(=O)N(c3cccc4cccnc34)C(=O)C1C1C=CC2C1,CID5307717,,,,,,,,,,,,,0.0,,,,
O=C1C2C3C=CC(C3)C2C(=O)N1c1cccc2cccnc12,CID2870966,,,,,,,,,,1.0,,0.0,,,,,0.0
CCOC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)CC)CC2)CC1,CID3244194,,,,0.0,,,,,,,,,,,,0.0,0.0
CCOC(=O)N1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1,CID893703,,,0.0,,,,,0.0,,0.0,,,,,,,
CCOC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)N(CC)CC)CC2)CC1,CID3239360,0.0,0.0,,,,,,0.0,,,,,,,,,
CCCS(=O)(=O)N1CCC(C(=O)N2CCN(C(=O)OCC)CC2)CC1,CID3235940,,,,,,,,0.0,0.0,,,,,,,,
O=C(c1cc2ccccc2o1)N1CCN(c2ccccc2Cl)CC1,CID2128054,,0.0,0.0,,,,0.0,,,,,,,0.0,0.0,0.0,
COc1ccccc1N1CCN(C(=O)c2oc3cc(C)cc(C)c3c2C)CC1,CID986571,,,,,,,,,0.0,,,,,0.0,,,
COc1ccccc1N1CCN(C(=O)c2oc3ccccc3c2C)CC1,CID2999788,0.0,,0.0,,,,0.0,,,,0.0,,0.0,,,,
COc1ccccc1N1CCN(C(=O)c2oc3cc(C)c(C)cc3c2C)CC1,CID1034153,0.0,,,,,,,,0.0,,,0.0,,,,,
Cc1cc(C)c(S(=O)(=O)n2ccc3ccccc32)c(C)c1,CID919981,,,,,,0.0,,,,,,,,0.0,,,
O=S(=O)(c1ccc(Br)cc1)n1ccc2ccccc21,CID2862716,,,,,,,,,0.0,,,,,0.0,,,
CC(=O)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12,CID848535,,,,,,,,,,,,,,0.0,0.0,,
O=S(=O)(c1ccccc1)n1ccc2ccccc21,CID315017,,,0.0,,0.0,,0.0,0.0,,0.0,,,,,0.0,,0.0
COc1ccc(OC)c(NC(=O)C2C3CCC(O3)C2C(=O)O)c1,CID2887381,,,,,,,,0.0,,,,,,,,,0.0
CC(=O)c1ccccc1NC(=O)C1C2CCC(O2)C1C(=O)O,CID2971015,,,,,,,0.0,0.0,,,,,,,,,0.0
CCc1cccc(C)c1NC(=O)C1C2CCC(O2)C1C(=O)O,CID2887247,,,,,,,,0.0,,0.0,,,,,,,0.0
O=C(O)C1C2CCC(O2)C1C(=O)Nc1cccc(F)c1,CID2887413,,,,,,,0.0,,,,,,,,,,
S=C(Nc1cccc(Br)c1)c1ccccc1,CID899791,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(C(=S)Nc2ccc(C)cc2)cc1,CID886291,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(=S)Nc2ccc(N(C)C)cc2)cc1,CID749908,,,,,,,,,,,,0.0,,,,,
COc1ccc(NC(=S)c2ccccc2)cc1,CID805406,,,,,,,,,,,,,,0.0,,,
COc1ccc(-n2ncc3c(NCCCn4ccnc4)ncnc32)cc1,CID661553,,0.0,,0.0,,,,,,,,,,,,,0.0
Cc1cccc(-n2ncc3c(NCCCn4ccnc4)ncnc32)c1,CID3843686,,0.0,,,0.0,,,,0.0,,,,,,,,
Cc1ccc(-n2ncc3c(NCCCn4ccnc4)ncnc32)c(C)c1,CID4568643,,0.0,,,0.0,,,,,,,,,,,,
Clc1ccc(-n2ncc3c(NCCCn4ccnc4)ncnc32)cc1,CID661196,,,,,,,0.0,,,,,,,,,0.0,
O=C(COc1ccccc1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1,CID662606,0.0,,,,,,,,,0.0,0.0,,,,0.0,,0.0
Cc1ccc(OCC(=O)N2CCN(c3nnc(-c4ccccc4)c4ccccc34)CC2)cc1,CID2951748,,,,,,,,,,,0.0,,,,,,
Cc1ccc(-c2nnc(N3CCN(C(=O)COc4ccccc4)CC3)c3ccccc23)cc1,CID6407344,,,,,,0.0,,,,,,,,,,,
COc1ccc(OCC(=O)N2CCN(c3nnc(-c4ccccc4)c4ccccc34)CC2)cc1,CID662795,0.0,0.0,0.0,,,0.0,0.0,,0.0,,,,,,,,
COC(=O)c1cc(NS(=O)(=O)c2coc(C(N)=O)c2)cc(C(=O)OC)c1,CID5308077,,,,,,,0.0,,,0.0,,,,,,,
COc1cc(OC)c(NS(=O)(=O)c2coc(C(N)=O)c2)cc1Cl,CID5307503,,,0.0,,,,0.0,,,,,,,,,,
COc1ccc(NS(=O)(=O)c2coc(C(N)=O)c2)cc1Cl,CID5309770,,,0.0,,,,0.0,,,,,,,,,,
NC(=O)c1cc(S(=O)(=O)Nc2cccc(F)c2)co1,CID5307672,,,,,,,0.0,,0.0,,,,,,,,
COC(=O)Cc1[nH]nc2c1C1(C(=O)N(Cc3ccccc3)c3ccccc31)C(C#N)=C(N)O2,CID654660,,,,,,,,,,,,,,,,0.0,
CCCc1[nH]nc2c1C1(C(=O)N(Cc3ccccc3)c3ccccc31)C(C(=O)OC)=C(N)O2,CID3981800,,,,,,,,,,0.0,,,,,,,
CCc1[nH]nc2c1C1(C(=O)N(Cc3ccccc3)c3ccccc31)C(C#N)=C(N)O2,CID2961924,,,,,,,,,0.0,,0.0,,,,,0.0,
Cc1[nH]nc2c1C1(C(=O)N(Cc3ccc(Cl)cc3)c3ccccc31)C(C#N)=C(N)O2,CID663934,0.0,,,,0.0,,,,,,,,,,,,
Cc1ccc(OCC(=O)N2CCN(C(=O)c3cccs3)CC2)cc1,CID750517,,,0.0,,,,,0.0,,0.0,0.0,,0.0,,,,
Cc1cccc(OCC(=O)N2CCN(C(=O)c3cccs3)CC2)c1,CID742500,0.0,,0.0,,,,,0.0,,0.0,,,,,,0.0,
O=C(COc1ccccc1)N1CCN(C(=O)c2cccs2)CC1,CID647147,0.0,,,0.0,,0.0,,0.0,,,,,,,,0.0,
COc1ccc(OCC(=O)N2CCN(C(=O)c3cccs3)CC2)cc1,CID1072091,,,,,,,,0.0,,0.0,,,0.0,,,,0.0
O=C(CSc1nc2ccsc2c(=O)n1Cc1ccc(C(=O)O)cc1)NCc1ccco1,CID4184339,,,,,,,,,,,,,,,0.0,,
Cc1ccc(Cn2c(SCC(=O)NCc3ccco3)nc3ccsc3c2=O)cc1,CID3238486,,,0.0,,0.0,,,,0.0,0.0,,,,0.0,,,
COc1ccc(Cn2c(SCC(=O)NCc3ccco3)nc3ccsc3c2=O)cc1,CID3239088,,0.0,0.0,,0.0,,,,,0.0,0.0,,,,,,
O=C(CSc1nc2ccsc2c(=O)n1Cc1ccccc1)NCc1ccco1,CID3245706,,0.0,,,0.0,,,,,,,,,,,,
COc1ccc(N2CCN(C(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)CC2)cc1,CID2969019,,,0.0,,,,,0.0,,0.0,,,,,,,
COc1ccc(N2CCN(C(=O)c3ccc(NS(=O)(=O)c4cccc(F)c4)cc3)CC2)cc1,CID2960340,,,,,,,,0.0,,,0.0,,,,,,
COc1ccc(N2CCN(C(=O)c3ccc(NS(=O)(=O)c4ccc(F)c(F)c4)cc3)CC2)cc1,CID3000004,,,,,0.0,,,,,,,,,,,,0.0
COc1ccc(N2CCN(C(=O)c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)CC2)cc1,CID2998546,,,,,,,,,,0.0,,,0.0,,,,
CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccccc2)cc1,CID649846,,,,,0.0,,,,,,0.0,,0.0,,,0.0,0.0
Cc1occc1-c1nnc(SCC(=O)Nc2ccc(F)cc2)n1Cc1ccccc1,CID649569,0.0,,0.0,,0.0,,0.0,,,,,,,,0.0,,
Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2)n1C(C)c1ccccc1,CID646170,0.0,,,,0.0,0.0,,,,,,,,,0.0,,
Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2)n1Cc1ccccc1,CID2530629,0.0,,,,0.0,0.0,0.0,,0.0,,0.0,,,,,,0.0
Cc1nc(Oc2ccc(Cl)cc2)c2oc3ccccc3c2n1,CID628213,,,,,,,,,,0.0,,,,0.0,,,
COc1ccc(Oc2nc(C)nc3c2oc2ccccc23)cc1,CID665994,0.0,,,,0.0,,0.0,0.0,,,,,,,,,
COc1ccc(Oc2ncnc3c2oc2ccc(Br)cc23)cc1,CID666536,0.0,,,,,,,,0.0,,,,,,,0.0,
Cc1nc(Oc2ccccc2)c2oc3ccccc3c2n1,CID403074,,,,,,0.0,,,0.0,,,,,,,,
CCC(C)NC(=O)c1nc2n(Cc3ccccc3Cl)[nH]nc-2c(=O)n1,CID3227704,,,,,,,,,,,,,,0.0,,,
O=c1nc(C(F)(F)F)nc2n(Cc3ccccc3F)[nH]nc1-2,CID646683,,,,,,,,,0.0,,,,,,,,0.0
CCCc1nc2n(Cc3ccccc3)[nH]nc-2c(=O)n1,CID3246786,,,,,,,,0.0,,,,,,,,,
CCCc1nc2n(Cc3ccccc3F)[nH]nc-2c(=O)n1,CID1448364,,,,,,,,,,,,0.0,,,,,
CC1CCN(C(=O)CSc2nc3ccccc3s2)CC1,CID973052,,,,,,,,,,0.0,,,,,,,
O=C(O)C1CCN(C(=O)CSc2nc3ccccc3s2)CC1,CID2091864,,,,,,,,,,,,,,0.0,,,
NC(=O)C1CCN(C(=O)CSc2nc3ccccc3s2)CC1,CID752303,,,,,,,,,0.0,0.0,0.0,,,,,,
O=C(CSc1nc2ccccc2s1)N1CCCCC1,CID767194,,,,,,,,,,,,,,,0.0,,
Cc1cc(C(=O)CSc2nnnn2-c2ccc(Cl)cc2)c(C)n1CC1CCCO1,CID2999096,0.0,0.0,,0.0,,,,,,,,,,,,,0.0
Cc1cc(C(=O)CSc2nnnn2-c2ccccc2)c(C)n1CC1CCCO1,CID2998640,,0.0,,,0.0,,,0.0,,,0.0,,,,,0.0,0.0
Cc1ccc(-n2nnnc2SCC(=O)c2cc(C)n(CC3CCCO3)c2C)cc1,CID2998337,0.0,,,,,0.0,,0.0,,,,,,,,0.0,0.0
Cc1cccc(-n2nnnc2SCC(=O)c2cc(C)n(CC3CCCO3)c2C)c1,CID2997674,0.0,,,,,,,,,,,,,,,,0.0
Cc1occc(=O)c1OCc1c(F)cccc1Cl,CID1490067,,,,,,,,,,,,,,0.0,,,
Cc1ccc(COc2coc(CO)cc2=O)cc1,CID1474692,,,,,,,,,,,,0.0,,0.0,,,
Cc1occc(=O)c1OCc1ccccc1,CID1490119,,,,,,,,,,,,,,0.0,,,
O=c1cc(CO)occ1OCc1cccc(F)c1,CID3840239,,,,,,0.0,,,,,,,,,,,
CCOc1ccccc1C1SCC(=O)Nc2c1c(=O)[nH]n2C(CC)CC,CID665396,,,,,,,0.0,,,,,,,,,,
CCCOc1ccccc1C1SCC(=O)Nc2c1c(=O)[nH]n2C(C)CCC,CID665331,,,0.0,,,,0.0,,,,,,,,,0.0,
COCc1cc(C2SCC(=O)Nc3c2c(=O)[nH]n3C(C)C)ccc1OC,CID2967810,,,,,0.0,,,,0.0,,0.0,,,,,0.0,
CCCC(C)n1[nH]c(=O)c2c1NC(=O)CSC2c1ccc(OC)c(OC)c1,CID2970203,,,0.0,0.0,,,,,,0.0,,,,,,,
COc1cccc(CC(NC(C)=O)C(=O)NC2CCN(c3nnnn3-c3ccccc3)CC2)c1,CID3232426,,,,,,,,,,0.0,,,,,0.0,,
CC(=O)NC(Cc1ccc(F)cc1)C(=O)NC1CCN(c2nnnn2-c2ccccc2)CC1,CID649890,,0.0,,0.0,,,,,,,0.0,,,,,,
COc1ccc(CC(NC(C)=O)C(=O)NC2CCN(c3nnnn3-c3ccccc3)CC2)cc1,CID652603,,0.0,,,,,,,,0.0,,,,,,,
COc1ccccc1CC(NC(C)=O)C(=O)NC1CCN(c2nnnn2-c2ccccc2)CC1,CID644650,,,,,,,,,,0.0,0.0,,,,,,
COc1ccc(-c2nnn(CC(=O)N(CC(=O)NCCC(C)C)Cc3cccs3)n2)cc1OC,CID653914,0.0,,,,,,,,,,,,,,,,
CCOc1ccc(-c2nnn(CC(=O)NCc3cccs3)n2)cc1,CID649183,,0.0,,,0.0,,,,,,0.0,,,,0.0,0.0,
COc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)C(C)C(=O)NCCC(C)C)n2)cc1OC,CID3179384,,,,,,,,,,0.0,,0.0,,,,,
O=C(Cn1nnc(-c2ccccc2)n1)NCc1cccs1,CID646677,,0.0,,0.0,0.0,0.0,,,,,,,,,,0.0,
CCCC(=O)Nc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cn1,CID652082,,,,,,,,0.0,,,,0.0,,,,,
CCC(=O)Nc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cn1,CID652555,,0.0,,,,,,0.0,,,,,0.0,,,,
CCCC(=O)Nc1cc(C)c(NC(=O)C23CC4CC(CC(C4)C2)C3)cn1,CID654891,,0.0,0.0,,,,,,,,,,,,,,0.0
CCC(=O)Nc1cc(C)c(NC(=O)C23CC4CC(CC(C4)C2)C3)cn1,CID649386,,,,,,,0.0,0.0,,,,,,,,,
CC(=O)N(/N=C1\Sc2ccccc2C1=O)c1ccccc1,CID759934,,,,,,0.0,,,,,,,,,,,
CC(=O)N(/N=C1\Sc2ccccc2C1=O)c1cccc(C)c1,CID759945,,,,,,0.0,,,,,,,,0.0,,,
COc1ccc(N(/N=C2\Sc3ccccc3C2=O)C(C)=O)cc1,CID2329474,,,,,,,,,,,,,,,0.0,,
CC(=O)N(/N=C1\Sc2ccccc2C1=O)c1ccccc1C,CID759936,,,,,,0.0,,,,,,,,0.0,,,
CC1CCN(S(=O)(=O)c2ccc(NC(=O)Cn3nnc(-c4ccccc4F)n3)cc2)CC1,CID653978,0.0,,0.0,,,,,,,,,,,,,0.0,
CC1CCCN(S(=O)(=O)c2ccc(NC(=O)Cn3nnc(-c4ccccc4F)n3)cc2)C1,CID649877,0.0,,0.0,,,,,,,,,,,,,0.0,0.0
CC1CCN(S(=O)(=O)c2ccc(NC(=O)Cn3nnc(-c4ccccc4)n3)cc2)CC1,CID652267,,0.0,0.0,,,,,,,,,,,,,,
Cc1ccc(-c2nnn(CC(=O)Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)n2)cc1,CID653178,0.0,0.0,,,0.0,,,,,0.0,,,,,,0.0,
CCN(CC)C(=O)C1CC(=O)OC1(C)C,CID652629,,,,,,,,,,0.0,,,0.0,,,0.0,
CCCCCC1CC(CC(=O)O)C(=O)O1,CID3242755,,,,,,,,0.0,,,,,,,,,
CC1(C)CC(CC(=O)O)C(=O)O1,CID3142067,,,,,,,,,,,0.0,0.0,,,,,
CC(C)(C)NC(=O)C1CC(=O)OC1(C)C,CID2959283,,,,,,,,,,,,,,,,0.0,
CCOC(=O)Nc1ccc2c(c1)Nc1ccccc1S2,CID652628,,,,0.0,0.0,0.0,,,,,,,,,,0.0,
CC(=O)c1ccc2c(c1)Nc1ccccc1S2,CID81131,,,0.0,,0.0,,0.0,,,,,,,,,,
CCOC(=O)CNC(=O)N1c2ccccc2Sc2ccccc21,CID2980862,,,,,,,,,,,,,,,0.0,,
c1ccc2c(c1)Nc1ccccc1S2,CID7108,,,,,,,,,,,,,,,0.0,,
CCCn1c(O)c(C(=O)Nc2ccncc2)c(=O)c2ccccc21,CID763045,,,,,,,,,,,,,0.0,,,0.0,
CCCCCCn1c(O)c(C(=O)Nc2ccncc2)c(=O)c2ccccc21,CID1908416,0.0,0.0,,,,,,,,,,,,,,,0.0
CC(C)Cn1c(O)c(C(=O)Nc2ccncc2)c(=O)c2ccccc21,CID650728,0.0,,,,,,,,,,,,0.0,,,0.0,
CCCCCn1c(O)c(C(=O)Nc2ccncc2)c(=O)c2ccccc21,CID1898855,0.0,,,0.0,,,,,0.0,,,,,,,0.0,0.0
COc1cccc(CNC(=O)CCS(=O)(=O)c2cccc3nonc23)c1,CID3238498,,,,,,,,,0.0,0.0,,,0.0,,,0.0,0.0
Cc1ccc(CNC(=O)CCS(=O)(=O)c2cccc3nonc23)cc1,CID3245965,,0.0,0.0,,,,,,,,,,,,,,0.0
COc1ccc(CNC(=O)CCS(=O)(=O)c2cccc3nonc23)cc1,CID3244058,,,0.0,,,,,,,,,,0.0,,,0.0,
COc1ccccc1CNC(=O)CCS(=O)(=O)c1cccc2nonc12,CID6621081,,,,,,0.0,,,,,,,,,,,
COc1ccc(CNC(=O)c2cc(-c3ccco3)on2)cc1,CID3238493,,,,,,,,0.0,0.0,,,0.0,0.0,,,,0.0
O=C(NCc1ccc(F)cc1)c1cc(-c2ccco2)on1,CID3244401,,,0.0,0.0,,,,0.0,,,,,,,,,
O=C(NCc1ccc(Cl)cc1)c1cc(-c2ccco2)on1,CID3243272,0.0,,0.0,0.0,,,,,,,,,0.0,,,,0.0
O=C(NCc1ccccc1)c1cc(-c2ccco2)on1,CID3241359,,,,,,,,0.0,,,,0.0,0.0,0.0,,,
COCC(=O)NC1CCN(C(=O)NCc2ccccc2)CC1,CID654664,,0.0,0.0,,,,,0.0,,,,,0.0,,,,
C=C(C)c1cccc(C(C)(C)NC(=O)N2CCCC(C(N)=O)C2)c1,CID2947741,0.0,,0.0,0.0,,,,,,,0.0,,,,,0.0,0.0
CCOC(=O)C(NC(=O)N1CCCCC1)(c1ccccc1)C(F)(F)F,CID3244284,,,,,,,,,,,,,,,,,0.0
O=C(O)C1CCCN(C(=O)NCc2ccccc2)C1,CID652544,,,,,,,,0.0,,,,,,,,,0.0
CC1(C)CC(=O)C(=CNc2ccccn2)C(=O)C1,CID783500,,,,,,0.0,,,,,,,,,0.0,,
Cc1ccc(NC=C2C(=O)CC(C)(C)CC2=O)nc1,CID759941,,,,,,,,,,0.0,,,,,,,
CC1(C)CC(=O)C(=CNc2ncccc2C(=O)O)C(=O)C1,CID755818,,,0.0,,,,,0.0,,,,,,,,,0.0
CC1(C)CC(=O)C(=CNc2ccc(Cl)cn2)C(=O)C1,CID662027,,0.0,,0.0,,,0.0,,,0.0,,,,0.0,,,
COc1ccc(C(=O)CSc2nnc(-c3ccco3)n2C)cc1,CID860174,0.0,,0.0,,0.0,,0.0,0.0,,,0.0,,,,,0.0,0.0
CCCn1c(SCC(=O)c2cc(OC)ccc2OC)nnc1-c1ccco1,CID645043,0.0,,0.0,,0.0,,,,,0.0,,,,,,,0.0
Cn1c(SCC(=O)c2ccccc2)nnc1-c1ccco1,CID857554,,,,,,,,,,,,,,,0.0,,
COCCn1c(SCC(=O)c2cccc(OC)c2)nnc1-c1ccco1,CID656268,0.0,0.0,,,,,0.0,0.0,,0.0,,,0.0,0.0,,,
CCn1c(SCC(=O)NC(C)(C)C)nnc1-c1ccoc1C,CID1455065,,,,,,,,,0.0,,0.0,,,,,,
Cc1occc1-c1nnc(SCC(=O)NC(=O)NC(C)C)n1N,CID2540991,,,0.0,0.0,,,,,,0.0,,,,,,0.0,
Cc1occc1-c1nnc(SCC(=O)N(C)CCC#N)n1N,CID2569006,,,,,,,,,,,,,,,0.0,,
CCCCn1c(SCC(=O)OCC)nnc1-c1ccoc1C,CID652188,,,,0.0,,,,,,,,0.0,0.0,,,,
CCc1cc2cc(C)ccc2nc1SCC(=O)Nc1cc(C)on1,CID3208003,,,,,,,,,,,,0.0,,,,,
COc1ccc2cc(C)c(SCC(=O)Nc3cc(C)on3)nc2c1,CID648080,,0.0,,0.0,0.0,,0.0,,0.0,,,,0.0,,,0.0,
CCc1cc2ccccc2nc1SCC(=O)Nc1cc(C)on1,CID648574,0.0,,,0.0,0.0,0.0,0.0,,,,,,,,,,0.0
CCc1cc2ccc(OC)cc2nc1SCC(=O)Nc1cc(C)on1,CID650104,0.0,,,0.0,0.0,0.0,0.0,0.0,,,,,0.0,,,,
Cc1nc2ccccc2c(=O)n1NC(=O)C1CCCCC1,CID742917,,,,,0.0,,,,0.0,,,,,0.0,0.0,,0.0
CCCC1CCC(C(=O)Nn2c(C)nc3ccccc3c2=O)CC1,CID3240707,,,0.0,,,,,,,,0.0,,0.0,,,,
CCCC1CCC(C(=O)Nn2cnc3ccccc3c2=O)CC1,CID3242021,0.0,,0.0,,0.0,,,,0.0,,,,,,,,
O=C(Nn1cnc2ccccc2c1=O)C1CCCCC1,CID3245516,,0.0,,0.0,,0.0,,,,,,,,,,,0.0
Cn1c(=O)c2c3c(sc2n2c(SCc4ccccc4)nnc12)CCCC3,CID658711,0.0,0.0,,,0.0,,0.0,,,,,,,0.0,,,
CCn1c(=O)c2c3c(sc2n2c(SCc4ccc(F)cc4)nnc12)CCCC3,CID662241,,,,,0.0,,0.0,,,,,,,,,,
CC(C)Oc1ccc(CSc2nnc3n(C)c(=O)c4c5c(sc4n23)CCCC5)cc1,CID2959809,,,,0.0,,,0.0,,,,,,,,,,
COc1ccc(CSc2nnc3n(C)c(=O)c4c5c(sc4n23)CCCC5)cc1,CID660615,0.0,,,,0.0,,0.0,,,0.0,0.0,,,,,,0.0
CS(=O)(=O)N(CC(=O)NCC1CCCO1)c1ccc(Cl)c(Cl)c1,CID3147403,,,,,,,,,,,,,0.0,,,,
CS(=O)(=O)N(CC(=O)NCC1CCCO1)c1ccc(F)c(Cl)c1,CID2978056,,,,0.0,,,,,,,,,0.0,,,,0.0
Cc1ccc(N(CC(=O)NCC2CCCO2)S(C)(=O)=O)cc1Cl,CID649423,0.0,,,,,,,,,,,,0.0,,,,0.0
CS(=O)(=O)N(CC(=O)NCC1CCCO1)c1cc(Cl)ccc1Cl,CID2928994,,,,,,,,,,,,,0.0,,,,
Cc1ccc(S(=O)(=O)NCC(=O)NC2CCCCCC2)cc1,CID894193,,,,0.0,0.0,,,,,,,,,,,0.0,
CN(CC(=O)NC1CCCCCC1)S(=O)(=O)c1ccccc1,CID892265,0.0,,,0.0,,,,,0.0,,0.0,0.0,,,,,0.0
CCN(CC(=O)NC1CCCCCC1)S(=O)(=O)c1ccccc1,CID2232318,0.0,,,0.0,,,,,,,0.0,,,,,,0.0
Cc1ccc(S(=O)(=O)NC(C)C(=O)NC2CCCCCC2)cc1,CID2948474,,,,,,,,0.0,,,,,,,,,
CS(=O)(=O)N(CC(=O)Nc1c(F)cccc1F)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1,CID2976519,,,,,,,,,,,,0.0,,,,,
CN(c1cccc(NC(=O)CN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)c1)S(C)(=O)=O,CID2974731,,,,,,,,,,,,0.0,,,,,
COc1ccccc1NC(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O,CID2966844,,,,,,,,,,,,,,0.0,,,
CS(=O)(=O)N(CC(=O)Nc1ccc(CC#N)cc1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1,CID2978079,,,,,,,,,,,,,,,0.0,,
COC(=O)c1ccccc1NC(=O)c1sc(=S)n(C)c1N,CID665848,,,,,,0.0,,,,,,,0.0,,,,
C=CCn1c(N)c(C(=O)Nc2ccccc2OC)sc1=S,CID3240288,,,,,0.0,0.0,,,0.0,0.0,,0.0,,,,,
C=CCn1c(N)c(C(=O)Nc2ccc(C)cc2)sc1=S,CID752653,,,,,,0.0,,,,0.0,,,,,,,
CCn1c(N)c(C(=O)Nc2ccccc2C(=O)OC)sc1=S,CID665633,,,,,,,,,,,,,0.0,0.0,,,
COc1ccc(-c2noc(-c3ccccc3C(=O)Nc3cccnc3)n2)cc1,CID665840,,,,0.0,,,0.0,,,0.0,0.0,,0.0,,0.0,,
COc1ccc(-c2noc(-c3ccccc3C(=O)Nc3cccnc3)n2)cc1OC,CID2227333,0.0,,,,,,0.0,,0.0,0.0,0.0,0.0,,,,,
COc1ccccc1-c1noc(-c2ccccc2C(=O)Nc2cccnc2)n1,CID3555856,,,,,,,,,,,0.0,,,,0.0,,
O=C(Nc1cccnc1)c1ccccc1-c1nc(-c2ccccc2F)no1,CID1950548,,,,,,,,,,,,0.0,,,,,
COc1cc(C(=O)NCc2ccc3[nH]c(C)cc3c2)cc(OC)c1OC,CID1535126,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)NCc2ccc3[nH]c(C)cc3c2)cc1OC,CID4549492,,,,,,,,,,,,,,0.0,,,
COc1cc(OC)cc(C(=O)NCc2ccc3c(c2)cc(C)n3C)c1,CID4061336,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)NCc2ccc3c(c2)cc(C)n3C)cc1OC,CID3267796,,,,,,,,,,,,,,,0.0,,
COc1ccc(CCNC(=O)C2CCCN2C(=O)Nc2cccc(C(C)=O)c2)cc1OC,CID653606,,,0.0,,,0.0,,,0.0,0.0,,0.0,,,,,0.0
O=C(NCCc1ccccc1)C1CCCN1C(=O)Nc1ccc(F)cc1,CID651727,,,0.0,0.0,,,,0.0,,,,,,,,,0.0
CC(=O)c1cccc(NC(=O)N2CCCC2C(=O)NCCc2ccccc2)c1,CID3230322,,,,,,,,,,0.0,,0.0,,,,,
Cc1ccc(NC(=O)N2CCCC2C(=O)NCCc2ccccc2)cc1,CID649790,0.0,,,0.0,,,,0.0,,,,0.0,,,,,0.0
Fc1ccc(N2CCN(c3ncnc4nc[nH]c34)CC2)cc1,CID756709,,,,,,,,,,,,,,0.0,,,
Clc1ccccc1N1CCN(c2ncnc3nc[nH]c23)CC1,CID756704,0.0,,0.0,,,,0.0,,,,,,,,,,
COc1ccc(N2CCN(c3ncnc4nc[nH]c34)CC2)cc1,CID756705,,,0.0,,,,,,,,,,,,,,
COc1ccccc1N1CCN(c2ncnc3nc[nH]c23)CC1,CID212794,,1.0,,,,,,,,,,,0.0,,,,
CCC(C)C(NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2cccc(C)c2)o1,CID665480,,,0.0,0.0,,,,0.0,,,,,,,,,
CC(C)C(NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2c(F)cccc2Cl)o1,CID663743,,,,,,,0.0,,0.0,,,,1.0,,,,
CCC(C)C(NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2cc(C)ccc2C)o1,CID664366,,,,,,,,,,,,0.0,1.0,,,,
Cc1ccccc1CS(=O)(=O)c1nnc(C(CC(C)C)NC(=O)OC(C)(C)C)o1,CID663900,,,,,,,,0.0,,0.0,,,,,,,
c1ccc(C2=Nn3c(nnc3-c3ccccn3)SC2)cc1,CID662267,0.0,,0.0,0.0,0.0,,0.0,,,,0.0,,,,,,0.0
CCOc1ccc(C2=Nn3c(nnc3-c3ccccn3)SC2)cc1,CID662251,0.0,,,,0.0,,,,,,0.0,,,,,,
COc1ccc(C2=Nn3c(nnc3-c3ccccn3)SC2)cc1,CID663229,0.0,,,0.0,0.0,,0.0,,,,0.0,,,,,,
COc1ccc(C2=Nn3c(nnc3-c3ccccn3)SC2)cc1OC,CID662679,0.0,,,,0.0,0.0,0.0,,,,,,,,,,
Cc1ccc(OCC(=O)c2c(O)oc3ccccc3c2=O)cc1C,CID733987,,,,,,,,,0.0,,,,,0.0,,,
CCc1ccc(OCC(=O)c2c(O)oc3ccccc3c2=O)cc1,CID733985,,,,,,,,,,,,,,0.0,,,
COc1ccc(OCC(=O)c2c(O)oc3ccccc3c2=O)cc1,CID733984,,,,,0.0,,,,,,0.0,,,0.0,,,
CCOc1ccc(OCC(=O)c2c(O)oc3ccccc3c2=O)cc1,CID733986,,,,,,,,0.0,0.0,,,,,,,0.0,
COc1cccc(C(=O)O/N=C(\N)c2ccncc2)c1,CID9595107,,,,,,0.0,,,,,,,,,,,
COc1cc(C(=O)O/N=C(\N)c2ccncc2)cc(OC)c1OC,CID6076234,,,,,,0.0,,,,,,,,,,,
Cc1cccc(C(=O)O/N=C(\N)c2ccncc2)c1,CID5344876,,,,,,0.0,,,,,,,,,,,
COc1cc(OC)cc(C(=O)O/N=C(\N)c2ccncc2)c1,CID5833600,,,,,,,,,,,,,,,0.0,,
CCOC(=O)C1CCN(c2ncnc3c2oc2ccc(Br)cc23)CC1,CID663853,0.0,,,,,,0.0,,0.0,,,0.0,,,0.0,,0.0
Cc1nc(N2CCC(C)CC2)c2oc3ccccc3c2n1,CID664856,,,,,,,0.0,,,,,0.0,0.0,,0.0,,
CCOC(=O)C1CCN(c2ncnc3c2oc2ccccc23)CC1,CID2312754,,,0.0,,0.0,0.0,,,0.0,,0.0,,,,,,
CCOC(=O)C1CCN(c2ncnc3c2oc2ccc(Cl)cc23)CC1,CID664148,0.0,,0.0,0.0,,0.0,0.0,,,,,,0.0,,,,0.0
CCCCN1CCc2c([nH]c3ccccc23)C1=O,CID2058449,,,,,,,,0.0,,,0.0,,,,,0.0,
CCCCN1CCc2c([nH]c3ccc(C)cc23)C1=O,CID2827442,,,,,,,,,,,,,0.0,,,0.0,0.0
O=C1NCCc2c1[nH]c1c(Cl)ccc(Cl)c21,CID665194,,,,,,,,,,,,,,0.0,,,
CCCCN1CCc2c([nH]c3c(C)cccc23)C1=O,CID1774065,,,0.0,,,0.0,0.0,,,,,,,,,0.0,
COC(=O)c1sc2ccccc2c1-n1cccc1C(=O)C(=O)Nc1ccc(Cl)cc1,CID3761719,,,,,,,,,,,,,,,0.0,,
COC(=O)c1sc2ccccc2c1-n1cccc1C(=O)C(=O)Nc1ccc(OC)cc1,CID4564318,,,,,,0.0,,,,,,,,,,,
COC(=O)c1sc2ccccc2c1-n1cccc1C(=O)C(=O)Nc1ccccc1,CID3776864,,,,,,0.0,,,,,,,,,,,
COC(=O)c1sc2ccccc2c1-n1cccc1C(=O)C(=O)Nc1ccc(C)cc1,CID4314835,,,,,,0.0,,,,,,,,,,,
COc1ccc(-c2csc3nc(C(C)C)oc(=O)c23)cc1OC,CID828450,,,,,,,,,,,,,,0.0,,,
CC(C)(C)c1nc2scc(-c3ccc(Cl)cc3)c2c(=O)o1,CID804909,,,,,,,,,,0.0,,,,0.0,,,
Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)o1,CID899008,,,,,,,,,,0.0,,,,,,,
Cc1nc2scc(-c3ccccc3)c2c(=O)o1,CID786671,,0.0,,,0.0,0.0,0.0,,,,,,0.0,0.0,,,
COc1ccc(S(=O)(=O)NC(C)(C)C)cc1-c1nnc2c3ccccc3c(C)nn12,CID1295462,,,,,,,,,,,0.0,,,,,,
Cc1nn2c(-c3ccccc3)nnc2c2ccccc12,CID936322,,0.0,,0.0,,,0.0,,,,,0.0,,,,,
COc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1,CID938212,,,,,,0.0,,,,,,0.0,,,,,
Cc1ccccc1-c1nnc2c3ccccc3c(C)nn12,CID938072,,,,,,,,,,,,0.0,,,,,
CCCn1c(N/C=C2\C=Nc3ccccc32)nc2ccccc21,CID6538193,,,,,,,,,,,,0.0,,,,,
CC(C)n1c(N/C=C2\C=Nc3ccccc32)nc2ccccc21,CID6538252,,,,,,,,,,,,0.0,,,0.0,,
CCCCn1c(N/C=C2\C=Nc3ccccc32)nc2ccccc21,CID6506745,,,,,,0.0,,,,,,,,,,,
CCn1c(N/C=C2\C=Nc3ccccc32)nc2ccccc21,CID5389068,,,,,,0.0,,,,,,,,,,,
CC1CC(=O)c2cnc(NCC3CCCO3)nc2C1,CID665450,,,0.0,,,,0.0,,,,,,,,,,
CC1(C)CC(=O)c2cnc(NCC3CCCO3)nc2C1,CID665051,0.0,0.0,0.0,,,,0.0,0.0,,,,,,,,,
Cc1nc(NCC2CCCO2)nc2c1C(=O)CC(C)(C)C2,CID667033,,,0.0,,0.0,,,0.0,,,,,,,,,
Cc1nc(NCC2CCCO2)nc2c1C(=O)CC(C)C2,CID2984104,,,0.0,,,,,0.0,,,,,,,,,0.0
O=C(CCc1nc(-c2ccccc2)no1)NCC1CCCO1,CID665456,,,,,,0.0,,0.0,,,,,,,,,
Cc1ccccc1-c1noc(CCC(=O)NCC2CCCO2)n1,CID3281014,,,,,,,,,,0.0,0.0,,,,0.0,,
CC(C)(C)c1ccc(-c2noc(CCC(=O)NCC3CCCO3)n2)cc1,CID3159504,,,,,,0.0,,,0.0,,0.0,,,,,,
Cc1cccc(-c2noc(CCC(=O)NCC3CCCO3)n2)c1,CID2972245,,,,,,,,,0.0,,,,,,0.0,,
CCOC(=O)C1CCCN(c2c(NCCCN(CC)c3cccc(C)c3)c(=O)c2=O)C1,CID3238915,,,,,0.0,0.0,,,,,,,0.0,,,,
CCOC(=O)C1CCCN(c2c(NCCCN(C)c3ccccc3)c(=O)c2=O)C1,CID5307819,,,,0.0,,,,,,,,,0.0,,,,
CCOC(=O)C1CCN(c2c(NCCCN(CC)c3ccccc3)c(=O)c2=O)CC1,CID3237895,,,0.0,,0.0,,,0.0,0.0,,,,,,,,
CCOC(=O)C1CCCN(c2c(NCCCN(CC)c3ccccc3)c(=O)c2=O)C1,CID3242410,,,,0.0,0.0,,,0.0,,,,0.0,0.0,,,,
Cc1cc(C)nc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1,CID840732,,,,,,,,,,,,,,0.0,,,
COc1ccc(CC(=O)Nc2cc(C)ccn2)cc1,CID795395,,0.0,,0.0,,,,,,,,,,,,0.0,
Cc1ccnc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1,CID795393,,,,,,,,,,,,,,0.0,,,
Cc1ccc(CC(=O)Nc2cccc(C)n2)cc1,CID890595,,,,,0.0,,0.0,,,,,,,,,,
Cn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1ccccc1,CID2197373,,,,,,0.0,,,0.0,,,,,,,,
CCn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1ccc(Br)cc1,CID1298840,,,,,,,,,0.0,,,,,,,,
CCn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1ccc(OC)cc1,CID2197444,,0.0,,,0.0,,0.0,,0.0,,,0.0,0.0,,,0.0,0.0
COc1ccc(-c2nnc(SCC(=O)Nc3nc4ccccc4s3)n2C)cc1,CID2196287,,,,,,,,,0.0,,0.0,0.0,,,,,
N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2C1c1cccnc1,CID652120,,,,,,,,,,,0.0,,,,,0.0,
Cc1ccc(-c2[nH]nc3c2C(c2cccnc2)C(C#N)=C(N)O3)cc1,CID3238879,,,0.0,,,,,,,,,,,,,,
CCOc1ccc(-c2[nH]nc3c2C(c2cccnc2)C(C#N)=C(N)O3)cc1,CID664707,,,,,,,0.0,,,,,,,,,0.0,
N#CC1=C(N)Oc2n[nH]c(-c3ccc(F)cc3)c2C1c1cccnc1,CID3239450,,,,,,,,,,,0.0,,,,,,
Cc1cc(NC(=O)CSc2nnc(COc3cccc(C)c3C)n2C)no1,CID652126,,0.0,0.0,,,,,,,,0.0,,,,,0.0,
Cc1ccc(OCc2nnc(SCC(=O)Nc3cc(C)on3)n2C)cc1,CID654193,,0.0,0.0,0.0,,,,,,,0.0,,,,,0.0,0.0
Cc1cccc(OCc2nnc(SCC(=O)Nc3cc(C)on3)n2C)c1,CID646642,,0.0,,,,,,,0.0,,0.0,,,,,0.0,
CCn1c(COc2ccccc2C)nnc1SCC(=O)Nc1cc(C)on1,CID651184,,,,,,,,0.0,,,0.0,,,,,,
CC(C)C(=O)Nc1ccnc(-c2cccnc2)n1,CID1488506,,,,,,,,,,,,0.0,,0.0,,,
CC(=O)Nc1ccnc(-c2cccnc2)n1,CID1488501,,,,,,0.0,,,,,,0.0,,,0.0,,
CC(C)(C)C(=O)Nc1ccnc(-c2cccnc2)n1,CID1488513,,,,,,0.0,,,,,,,,,0.0,,
CCC(=O)Nc1ccnc(-c2cccnc2)n1,CID1488512,,,,,,,,,,,,0.0,,,,,
CCOc1ccccc1NC(=O)N1CCCC1C(=O)Nc1ccc(-n2cnnn2)c(C)c1,CID645366,,0.0,0.0,,,,,,,0.0,,,,,,0.0,
Cc1ccc(NC(=O)N2CCCC2C(=O)Nc2ccc(-n3cnnn3)c(C)c2)cc1,CID3219768,,,,,,,,,,0.0,0.0,,,,,,
Cc1cc(C)cc(NC(=O)N2CCCC2C(=O)Nc2ccc(-n3cnnn3)c(C)c2)c1,CID3230213,,,,,,,,,,,0.0,,,,,,
Cc1cc(NC(=O)C2CCCN2C(=O)Nc2c(C)cccc2C)ccc1-n1cnnn1,CID3230348,,,,,,,,,,,0.0,,,,,,
OC1CCN(C(=S)NCCc2ccccc2)CC1,CID693853,,,,,,,,,,,0.0,,,,,,
CC1CCCCN1C(=S)NCCc1ccccc1,CID4652385,,,,,,,,,,,,,,,0.0,,
CC1CCCN(C(=S)NCCc2ccccc2)C1,CID2944811,,,,,,0.0,,,,,,0.0,,,,,
OCC1CCCN(C(=S)NCCc2ccccc2)C1,CID2946148,,,,,,,,,,0.0,,,,,,,
O=C(CCc1ccccc1)NCc1ccc2c(c1)OCO2,CID673798,,,,,,0.0,,,,,,,,,,,
CCCNS(=O)(=O)c1ccc(CCC(=O)NCc2ccc3c(c2)OCO3)cc1,CID649078,,,,,0.0,0.0,,0.0,,0.0,,,,,,,
CC(C)NS(=O)(=O)c1ccc(CCC(=O)NCc2ccc3c(c2)OCO3)cc1,CID1090452,,,,,,,,,,0.0,0.0,,,,,,
CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)NCc2ccc3c(c2)OCO3)cc1,CID1090606,,,,,,,,,,0.0,,,,,,,
COc1ccc(-n2nnc3c(=O)n(CC(=O)N4CCCC4)cnc32)cc1,CID3237861,,,,0.0,,,,,,,,0.0,,,,0.0,
Cc1ccc(-n2nnc3c(=O)n(CC(=O)N4CCCC4)cnc32)cc1,CID3240587,,0.0,,0.0,,,,,,,,,,,,0.0,
O=C(Cn1cnc2c(nnn2-c2ccc(F)cc2)c1=O)N1CCCC1,CID3242854,,0.0,,,,,,,,0.0,,,,,,,
O=C(Cn1cnc2c(nnn2-c2cccc(Cl)c2)c1=O)N1CCCC1,CID3242190,0.0,,,,,,,,,,,,,,,,
CCCCOc1ccc(C(=O)OC2CC(C)N(C)CC2C)cc1,CID658199,,,,0.0,,,0.0,,,,,,,,,,
Cc1c(Br)cc(C(=O)OC2CCN(C)CC2)c(C)c1C,CID892591,0.0,,,,,,,,,,0.0,0.0,,,,,0.0
CC1(C)CC(OC(=O)c2ccccc2)CC(C)(C)N1,CID579967,,,,,,0.0,,,,0.0,0.0,,,,,,
CC(=O)ON1C(C)(C)CC(OC(=O)c2ccccc2)CC1(C)C,CID587733,0.0,,0.0,0.0,,,0.0,,,,0.0,,0.0,,,,
CCOC(=O)/C(=N\Nc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1,CID1380009,,,,,,,,,,,,0.0,,,,,
CCOC(=O)/C(=N\Nc1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1,CID1046979,,,,,,,,,,0.0,,0.0,,,,,
CCOC(=O)/C(=N\Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1,CID3113033,,,,,,,,,,,,0.0,,,,,
CCOC(=O)/C(=N\Nc1ccccc1)S(=O)(=O)c1ccccc1,CID794239,,,,,,,,,0.0,,,,,,,,
CCCCN1C(=O)NC(=O)/C(=C(/C)NCCCn2ccnc2)C1=O,CID6223060,,,,,,,,,,,,0.0,,,,,
CCCCN1C(=O)NC(=O)/C(=C\NCCCn2ccnc2)C1=O,CID5389169,,,0.0,,,,,,,,,,,,,,
CCCCCCN1C(=O)NC(=O)/C(=C\NCCCn2ccnc2)C1=O,CID5389193,,,,,,,,,,0.0,,,,,,,
CC(NCCCn1ccnc1)=C1C(=O)N(C)C(=O)N(C)C1=O,CID5389687,,0.0,,,,,,0.0,,,,,0.0,,,,
CCn1cc(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cn1,CID897141,,,,,,,,,,,,,,0.0,0.0,,
CCn1cc(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(C)n1,CID844657,,,,,,,,,,,,,,,0.0,,
CCn1cc(CN(C)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(C)n1,CID897164,,,,,,,,,,,,,,,0.0,,
Cc1c(CN(C)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cnn1C,CID896034,,,,,,,,,,,,,,0.0,,,
Cn1c(=O)c2c(nc(NCCCN3CCOCC3)n2Cc2ccc(Cl)c(Cl)c2)n(C)c1=O,CID662237,0.0,,,,,,,,,,,,,,,,
Cn1c(=O)c2c(nc(NCCCN3CCOCC3)n2Cc2cccc(Cl)c2)n(C)c1=O,CID663234,0.0,,0.0,,,,,,,,,0.0,,,,,
Cn1c(=O)c2c(nc(NCCCN3CCOCC3)n2Cc2ccc(Cl)cc2Cl)n(C)c1=O,CID662482,0.0,,,,,,,,,,,,,,,,
Cn1c(=O)c2c(nc(NCCCN3CCOCC3)n2Cc2ccc(Cl)cc2)n(C)c1=O,CID662663,0.0,,0.0,,,,0.0,,,,,,,,,,
CCCCCC(=O)N1CCN(CCNC=C2C(=O)CC(c3ccco3)CC2=O)CC1,CID3242364,,,,,,0.0,,,,,,,0.0,,,,
CC(C)C(=O)N1CCN(CCNC=C2C(=O)CC(c3ccco3)CC2=O)CC1,CID662641,,,,,,,,0.0,,,,,,,,,
CC(=O)N1CCN(CCNC=C2C(=O)CC(c3ccco3)CC2=O)CC1,CID2902254,,,,,,,,0.0,,,,,,,,,
O=C1CC(c2ccco2)CC(=O)C1=CNCCN1CCNCC1,CID1901288,,0.0,,,,,,,,,,,,,,,
CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1cccs1,CID2214022,0.0,,,,0.0,,0.0,,,,,,,,0.0,,0.0
COc1ccc(-c2noc(CN(C(=O)c3cccs3)C(C)C)n2)cc1,CID1258041,,,,,,,,,,0.0,,,,,,,
Cc1ccc(-c2noc(CN(C(=O)c3cccs3)C(C)C)n2)cc1,CID2231249,0.0,,,,0.0,,,0.0,,,,,0.0,,,0.0,0.0
O=C(NCc1nc(-c2ccccc2)no1)c1cccs1,CID1250645,0.0,0.0,,0.0,0.0,,0.0,0.0,,0.0,0.0,,,,,0.0,
CCOC(=O)c1c(OCC)[nH]c2c1cc(O)c1ccccc12,CID784748,,,,,,,0.0,,,,0.0,,,,,0.0,
CCOC(=O)c1c(C)[nH]c2c1cc(O)c1ccccc12,CID1079369,,,,,,,,,,0.0,0.0,,,,,,
CCCC(=O)Oc1cc2c(C(=O)OCC)c(C)n(C)c2c2ccccc12,CID1414755,,,,,,0.0,,,,,,,,,,,
O=C(O)c1cc2ccc3ccccc3c2[nH]1,CID645288,,,,,,,,0.0,,,,,,,,,
COc1ccc(C2C3=C(NN/C3=C3\C=CC=CC3=O)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1,CID5389993,,,,,,,,0.0,,,,0.0,0.0,0.0,,,
COc1ccc(CCN2C(=O)C3=C(/C(=C4\C=CC=CC4=O)NN3)C2c2ccccc2)cc1OC,CID5389982,,,,,,0.0,,,,,,,,,,0.0,
COc1ccc(CCN2C(=O)C3=C(/C(=C4\C=CC=CC4=O)NN3)C2c2cccc(O)c2)cc1OC,CID5390028,,,,0.0,,,0.0,,,,,,,,,,
COc1ccc(CCN2C(=O)C3=C(/C(=C4\C=CC=CC4=O)NN3)C2c2ccc(C)cc2)cc1OC,CID5390062,,,0.0,,,,0.0,,,,,,,,,,
CCOC(=O)C1CCN(C(=O)CSc2cc(=O)n(CC)c3ccccc23)CC1,CID3240638,,,,,,,,,,0.0,,,,,,0.0,
CCn1c(=O)cc(SCC(=O)N2CCC(C)CC2)c2ccccc21,CID3236585,0.0,,,,,,,,,,,,,0.0,,,0.0
CCn1c(=O)cc(SCC(=O)N2CCCCC2)c2ccccc21,CID3240943,,,,,,,0.0,0.0,,,,0.0,,,,,0.0
CCOC(=O)C1CCN(C(=O)CSc2cc(=O)n(C)c3ccccc23)CC1,CID3240642,,,0.0,,,,,,,0.0,,,,,,0.0,
Cc1nc2nc3c(c(=O)n2[nH]1)CCCC3,CID1971017,,,,,,,,,,,,0.0,,,,,
O=C(O)Cc1nc2nc3c(c(=O)n2[nH]1)CCCC3,CID888536,,0.0,,,,,,0.0,,,,,,,,,
CSc1nc2nc3c(c(=O)n2[nH]1)CCCC3,CID1848596,,,,,,,,,,0.0,,,,,,,
CC1CCc2c(nc3nc[nH]n3c2=O)C1,CID3231154,,,,,,,,,,,,0.0,,,,,
COc1cc(OC)cc(-n2nnnc2SCC(=O)Nc2nc3c(s2)CCCC3)c1,CID3189450,,,,,,,,,,,,0.0,,,,,
COC(=O)c1cccc(-n2nnnc2SCC(=O)Nc2nc3c(s2)CCCC3)c1,CID644894,,0.0,,0.0,,,,,,,,0.0,,,,,
COc1ccc(-n2nnnc2SCC(=O)Nc2nc3c(s2)CCCC3)cc1,CID1152813,,,,,,,,,0.0,,0.0,,,,,,
COc1cccc(-n2nnnc2SCC(=O)Nc2nc3c(s2)CCCC3)c1,CID1175519,,,,,,,,,0.0,,,0.0,,,,,
O=C(NCc1cccnc1)C(=O)N/N=C/c1ccccc1[N+](=O)[O-],CID3102318,,,,,,,,,,,,,,,0.0,,
COc1ccccc1/C=N/NC(=O)C(=O)NCc1cccnc1,CID3102312,,,,,,,,,,,,,,,0.0,,
O=C(NCc1cccnc1)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1,CID3102320,,,,,,,,,,,,,,0.0,,,
COc1cccc(/C=N/NC(=O)C(=O)NCc2cccnc2)c1,CID2249520,,,,,,,,,,,,,,,0.0,,
O=c1c2ccccc2[nH]c(=S)n1C1CCCCC1,CID791458,,0.0,,,0.0,0.0,0.0,,,,0.0,,0.0,,0.0,,0.0
CC1CCCCC1n1c(=S)[nH]c2ccccc2c1=O,CID3236103,,,,,0.0,,,,,,,0.0,,,,0.0,
CC1CCC(n2c(=S)[nH]c3ccccc3c2=O)CC1,CID805122,,,,0.0,0.0,,0.0,,,,,0.0,,,,,0.0
CC1CCCC(n2c(=S)[nH]c3ccccc3c2=O)C1C,CID3571207,,,,,,,,,,,,,,0.0,,,
CC(=O)c1cccc(-n2nnnc2SCC(=O)Nc2cccc(NC(=O)c3ccco3)c2)c1,CID647010,,,,,,,,,,0.0,,,0.0,,,0.0,0.0
CC(=O)c1ccc(-n2nnnc2SCC(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1,CID3213522,,,,,,,,,,,0.0,0.0,,,,,
Cc1cc(C)cc(-n2nnnc2SCC(=O)Nc2cccc(NC(=O)c3ccco3)c2)c1,CID652737,0.0,0.0,0.0,0.0,,,0.0,0.0,,,,,,,,0.0,0.0
Cc1ccc(-n2nnnc2SCC(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1C,CID656253,0.0,,0.0,0.0,,,0.0,,,,0.0,,,,,0.0,
C=C(C)CSc1n[nH]c2nc(=O)cc(N)n12,CID712839,,,,0.0,,,,,,,,,0.0,,,,
CC(C)CSc1n[nH]c2nc(=O)cc(N)n12,CID712822,,,,0.0,,,,,,0.0,,,,,,,
CCCCSc1n[nH]c2nc(=O)cc(N)n12,CID1588033,,,,,,,,,,,,0.0,,,,,
CCCSc1n[nH]c2nc(=O)cc(N)n12,CID2197746,,,,,,,,,,,,,,0.0,,,
CC1CCN(CCCn2c(=S)[nH]c3ccccc3c2=O)CC1,CID804867,,0.0,,0.0,0.0,,,0.0,,,,,,,,0.0,0.0
CC1CC(C)CN(CCCn2c(=S)[nH]c3ccccc3c2=O)C1,CID3237824,,,,,,0.0,,,,,,0.0,,,,,0.0
CC1CCCCN1CCCn1c(=S)[nH]c2ccccc2c1=O,CID2967752,,,,0.0,,,,0.0,,,,,,,,,
CCC1CCCCN1CCCn1c(=S)[nH]c2ccccc2c1=O,CID3237134,,,,,,0.0,,,,,,0.0,,,,,
CCN1C(=O)C2(C(C#N)=C(N)Oc3cc(C)oc(=O)c32)c2ccccc21,CID3240000,,,,,,,,,,,,0.0,,,,,
COC(=O)CN1C(=O)C2(C(C#N)=C(N)Oc3cc(C)oc(=O)c32)c2ccccc21,CID3236699,,,0.0,0.0,,,,0.0,,,,,,,,,
Cc1cc2c(c(=O)o1)C1(C(=O)N(CC(=O)O)c3ccccc31)C(C#N)=C(N)O2,CID3241568,,,,,,,,0.0,,,,,,,,,
CC(=O)N1C(=O)C2(C(C#N)=C(N)Oc3cc(C)oc(=O)c32)c2ccccc21,CID666004,,,0.0,,,,,,,,,,,,,,
Cc1cccc2sc(NC(=O)CSc3nc4ccccc4o3)nc12,CID1289925,,,,,,,,,,,0.0,,,,,,
Cc1ccc2nc(NC(=O)CSc3nc4ccccc4o3)sc2c1,CID1036045,,,,,,0.0,,,0.0,0.0,0.0,0.0,,,0.0,,
COc1ccc2nc(NC(=O)CSc3nc4ccccc4o3)sc2c1,CID1035368,0.0,0.0,0.0,,0.0,0.0,,,0.0,0.0,0.0,,0.0,,0.0,,
O=C(CSc1nc2ccccc2o1)Nc1nc2ccccc2s1,CID654435,,,0.0,,0.0,0.0,,,,0.0,,,0.0,0.0,,,
O=C(O)c1ccc2oc(SCC(=O)N3CCCCC3)nc2c1,CID803187,,,,0.0,,,,,0.0,,,,0.0,0.0,,0.0,
CCS(=O)(=O)c1ccc2oc(SCC(=O)N3CCCCC3)nc2c1,CID2352953,,,,,,,,,,,,,,0.0,0.0,,
CC1CCCN(C(=O)CSc2nc3ccccc3o2)C1,CID3154235,,,,,,0.0,,,,,,0.0,,,,,
NC(=O)C1CCN(C(=O)CSc2nc3ccccc3o2)CC1,CID752302,,,,,,,,,0.0,0.0,,,,,,,
Cn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1ccco1,CID652454,0.0,0.0,,,0.0,,0.0,0.0,,,,,,,0.0,0.0,0.0
CCn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1ccco1,CID647651,,0.0,0.0,,0.0,,0.0,,,,,,,,,0.0,0.0
CCCn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1ccco1,CID651446,0.0,,0.0,,0.0,,0.0,0.0,,,0.0,,0.0,,,0.0,0.0
COCCn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1ccco1,CID649397,0.0,,,,,,0.0,,,,,,0.0,,,,
CCCc1c(O)nc(SC2CC(=O)N(c3cc(OC)ccc3OC)C2=O)[nH]c1=O,CID666211,,,,,0.0,,,0.0,0.0,,0.0,,,0.0,0.0,,
Cc1c(O)nc(SC2CC(=O)N(c3ccccc3)C2=O)[nH]c1=O,CID2953017,,,,,,,0.0,,0.0,0.0,,,,,,,
CCc1c(O)nc(SC2CC(=O)N(c3ccccc3)C2=O)[nH]c1=O,CID3529049,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1ccc(N2C(=O)CC(Sc3nc(O)c(CC)c(=O)[nH]3)C2=O)cc1,CID2979308,,,0.0,,0.0,,,,0.0,,0.0,,,,,0.0,
Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)NCc2cccnc2)CC1,CID3238626,0.0,0.0,,,,,,,,,,,,,,,0.0
Cc1ccccc1-c1nc(CN2CCC(C(=O)NCc3cccnc3)CC2)c(C)o1,CID3244199,0.0,,,,,,,,0.0,,,,,,,,0.0
Cc1oc(-c2ccccc2F)nc1CN1CCC(C(=O)NCc2cccnc2)CC1,CID3244047,0.0,,0.0,,,,,,,,,,,,,,0.0
Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC(C(=O)NCc2cccnc2)CC1,CID3237467,0.0,,0.0,,,,,,,,0.0,,0.0,,,,0.0
CCCn1c(-c2cccs2)nc2nc3ccccc3nc21,CID945704,,,,,,,,,,,0.0,,,,0.0,,
CC(C)Cn1c(-c2cccs2)nc2nc3ccccc3nc21,CID664350,,0.0,,0.0,,,0.0,,,,,,,,,,
C=CCn1c(-c2cccs2)nc2nc3ccccc3nc21,CID664146,,,,,,,0.0,,,,0.0,,0.0,,,0.0,
CCC(C)n1c(-c2cccs2)nc2nc3ccccc3nc21,CID664150,0.0,,0.0,0.0,,,,,,,,,0.0,,,,
COc1ccc(-c2nnc3ccc(SCC(=O)NCC4CCCO4)nn23)cc1,CID3239979,,0.0,,0.0,,,,,,,0.0,,,,,0.0,0.0
O=C(CSc1ccc2nnc(-c3ccccc3)n2n1)NCC1CCCO1,CID3238623,,0.0,0.0,0.0,0.0,,,0.0,,,0.0,,,,,0.0,
O=C(CSc1ccc2nnc(-c3ccc(F)cc3)n2n1)NCC1CCCO1,CID3245370,0.0,,,,0.0,,,,,,,,,,,,
O=C(CSc1ccc2nnc(-c3cccc(F)c3)n2n1)NCC1CCCO1,CID3238402,0.0,,0.0,,,,,0.0,,0.0,,,,,,,0.0
C#CCSc1nc(-c2cccs2)ccc1C#N,CID1823561,,,,0.0,0.0,,,,,,,,,,,,
C=COC(=O)CSc1nc(-c2cccs2)ccc1C#N,CID657949,,,,,0.0,,,,0.0,0.0,,,,0.0,0.0,,
CCOC(=O)C(C)Sc1nc(-c2cccs2)ccc1C#N,CID657985,,,0.0,,0.0,,0.0,,,0.0,0.0,0.0,,0.0,,,
COC(=O)CSc1nc(-c2cccs2)ccc1C#N,CID658101,,,,,,0.0,,,,,0.0,,,0.0,,,
CCOC(=O)C1CCCN(C(=O)c2cn(C)c3ccc(S(=O)(=O)N(C)C)cc3c2=O)C1,CID5308714,,,,,,,,0.0,,,,,,,,0.0,
CCn1cc(C(=O)N2CC(C)CC(C)C2)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21,CID5308719,,,,,,,0.0,,,,,,0.0,,,,
CCOC(=O)C1CCCN(C(=O)c2cn(CC)c3ccc(S(=O)(=O)N(C)C)cc3c2=O)C1,CID5309218,,,,,,,,,,,,,0.0,,,0.0,0.0
COc1ccc2[nH]cc(C(=O)N3CCCCC3)c(=O)c2c1,CID652090,,0.0,,,,,0.0,0.0,,0.0,,0.0,,,,,0.0
COc1ccc(S(=O)(=O)N2c3ccccc3OCC2C)cc1,CID4309361,,,,,,,,,,,,,,0.0,,,
CCS(=O)(=O)c1ccc2c(c1)N(S(=O)(=O)c1ccc(OC)cc1)CC(C(=O)O)O2,CID3730764,,,,,,,,,,,,0.0,,,,,
CCOC(=O)C1CN(S(=O)(=O)c2ccc(OC)cc2)c2cc(CC(=O)OC)ccc2O1,CID3527350,,,,,,,,,,,,,,,0.0,,
CCOC(=O)C1CN(S(=O)(=O)c2ccccc2)c2cc(S(=O)(=O)CC)ccc2O1,CID4263541,,,,,,,,,,,,,,0.0,,,
CSc1nnc(Cc2ccc3c(c2)OCO3)o1,CID651773,,,,,,0.0,0.0,,,,,,,,0.0,,0.0
N#CCCCSc1nnc(Cc2ccc3c(c2)OCO3)o1,CID3219519,,,,,,,,,,0.0,,0.0,,,0.0,,
N#CCSc1nnc(Cc2ccc3c(c2)OCO3)o1,CID650267,,0.0,,,,0.0,,0.0,,0.0,,,,,,,0.0
CC(=O)CSc1nnc(Cc2ccc3c(c2)OCO3)o1,CID1467856,,,,,,,,,0.0,,,0.0,,,,,
COc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CCN2CCOCC2)cc1OC,CID664682,,,0.0,,,,,0.0,0.0,0.0,,,,,,0.0,
COc1cccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCN2CCOCC2)c1OC,CID9551590,,,,,,,,,0.0,,,,,,,,
COc1cc(C2c3c(oc4ccccc4c3=O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC,CID664743,,,0.0,,,,,,0.0,,,,,,,0.0,
COc1ccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCN2CCOCC2)cc1OC,CID4709461,,,,0.0,,,,,,,,,,,,,
O=c1c2ccccc2nc(SCc2cn3ccsc3n2)n1-c1ccccc1F,CID2998707,,,,,0.0,,0.0,,,,,,0.0,,,,0.0
O=c1c2ccccc2nc(SCc2cn3ccsc3n2)n1-c1ccccc1,CID2999699,0.0,,0.0,0.0,0.0,,0.0,,0.0,0.0,,,,,0.0,,
Cc1ccc(-n2c(SCc3cn4ccsc4n3)nc3ccccc3c2=O)cc1,CID2999809,0.0,,,0.0,0.0,,0.0,,0.0,0.0,,,,,,,
O=c1c2ccccc2nc(SCc2cn3ccsc3n2)n1-c1ccc(F)cc1,CID2998084,,,,,0.0,,,,,,0.0,,0.0,,,,
COc1cccc(CC(C(=O)Nc2cc(C)ccc2C)c2nn[nH]n2)c1OC,CID655926,,0.0,,0.0,,,,,,,,0.0,,,,,
COc1ccccc1NC(=O)C(Cc1ccc(Cl)cc1)c1nn[nH]n1,CID653991,0.0,,0.0,0.0,,,0.0,,,,,0.0,0.0,,,,
CCc1ccccc1NC(=O)C(Cc1cccc(OC)c1OC)c1nn[nH]n1,CID649718,,0.0,,,,,,,,,,,,,,,
COc1ccc(CC(C(=O)Nc2cccc(F)c2)c2nn[nH]n2)c(OC)c1,CID646430,,0.0,,0.0,,,,0.0,,,,0.0,,,,,
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(F)cc3F)cc2)CC1,CID3239148,0.0,,,,0.0,,,,,0.0,,,,0.0,0.0,,0.0
COC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1,CID655078,,,,0.0,0.0,0.0,,0.0,0.0,,0.0,,0.0,,0.0,0.0,0.0
CN1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3)cc2)CC1,CID1262873,,,,,,0.0,,,,,0.0,,,,,,
COc1ccc(OC)c(NC(=O)c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1,CID644458,,,0.0,,0.0,0.0,,0.0,,,,,,,,,
COc1ccc(N2CCN(CC(=O)Nc3nnc(-c4ccccc4)s3)CC2)cc1,CID645044,,,,,,,,0.0,,,,,,,0.0,,
COc1cccc(N2CCN(CC(=O)Nc3nnc(-c4ccccc4)s3)CC2)c1,CID645405,,0.0,0.0,,,,,,,,0.0,,,,,,
O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1nnc(-c2ccccc2)s1,CID653858,0.0,0.0,,,,,,0.0,,,,,0.0,,,0.0,
O=C(CN1CCN(c2ccccc2)CC1)Nc1nnc(-c2ccccc2)s1,CID654874,0.0,,,,,,0.0,0.0,,,,,,,,0.0,
Cc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1S(=O)(=O)N1CCOCC1,CID1144145,,,,0.0,0.0,,,,0.0,,0.0,,,,,,0.0
O=C(Nc1ccccn1)c1cccc(S(=O)(=O)N2CCOCC2)c1,CID789347,,,,,,,,,,,,,,0.0,,0.0,0.0
O=C(Nc1ccc(Cl)cn1)c1cccc(S(=O)(=O)N2CCOCC2)c1,CID1105139,,,,,,,,,0.0,,,0.0,,,,,
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccccn1,CID654065,,,0.0,,,,,,,,,,0.0,,,0.0,0.0
O=C(CSc1n[nH]c(-c2ccccc2)n1)c1ccc(Cl)cc1,CID698275,,,,,,0.0,,,,,,,,,,,
O=C(CSc1n[nH]c(-c2ccccc2)n1)c1ccccc1,CID570287,0.0,,0.0,0.0,0.0,,,0.0,,,0.0,,0.0,0.0,,0.0,0.0
O=C(CSc1n[nH]c(-c2ccccc2)n1)c1ccc(O)c(O)c1,CID654283,,,,,0.0,,0.0,1.0,,,0.0,,,,,,
Cc1ccc(C)c(C(=O)CSc2n[nH]c(-c3ccccc3)n2)c1,CID2877515,,,,,,0.0,,,,,,,,,,,
O=C(COc1ccc(Cl)cc1)NCCCn1ccnc1,CID2872878,0.0,,0.0,,,0.0,0.0,,,,,,,,,,0.0
CC(Oc1ccc(Cl)cc1Cl)C(=O)NCCCn1ccnc1,CID644423,0.0,,,,,,,,,,,,,,,,
CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCCn1ccnc1,CID645577,0.0,,,,,0.0,,,,0.0,,,,,,,0.0
CC(Oc1ccc(Cl)cc1)C(=O)NCCCn1ccnc1,CID6618778,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C(=O)NCc2ccco2)cc1S(=O)(=O)Nc1cccc(Cl)c1,CID2396097,,,,,,,,,,,,0.0,,,,,
Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCc3ccco3)ccc2C)c1,CID1256050,,,,,,,,,,0.0,0.0,,,,,,
Cc1ccc(C(=O)NCc2ccco2)cc1S(=O)(=O)Nc1cccc(C)c1C,CID2236972,,,,,,,,,,0.0,,,,,,,
Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccco2)ccc1C,CID1251601,,,0.0,,0.0,,0.0,,,0.0,,,0.0,,,,0.0
O=C(Nc1nccs1)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1,CID3000044,,,,0.0,,,,,,,,,,,,,
COc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2nccs2)cc1,CID2947994,,,0.0,,0.0,,,,,0.0,0.0,0.0,0.0,,,,
Cc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2nccs2)cc1,CID3739028,,,,,0.0,,,,,,,,,,,,
O=C(Nc1nccs1)C1CCCN1S(=O)(=O)c1ccc(F)cc1,CID2947472,,,,,0.0,,,,,,,,,,,,
CCSc1cc(N2CCCC2)nc(-c2ccc(F)cc2)n1,CID852309,,,,,,0.0,,,,,,,,,,,
CCSc1cc(N2CCCC2)nc(-c2ccccc2Cl)n1,CID852305,,,,,,,,,,,,,,,0.0,,
CSc1nc(-c2ccccc2)nc(N2CCCC2)c1C(C)=O,CID766644,0.0,0.0,,,0.0,,0.0,0.0,,,0.0,,0.0,0.0,,0.0,
CC(C)Sc1cc(N2CCCC2)nc(-c2ccc(F)cc2)n1,CID852310,,,,,,0.0,,,,,,,,0.0,,,
Cc1ccc(C(=O)C(C)Oc2cccc(NC(=O)c3ccco3)c2)cc1,CID3158579,,,,,,,,,0.0,,,,,,,,
Cc1ccc(C(=O)COc2cccc(NC(=O)c3ccco3)c2)cc1,CID1218909,,,,0.0,,,0.0,,0.0,,,,0.0,,,0.0,
O=C(COc1cccc(NC(=O)c2ccco2)c1)c1ccc(F)cc1,CID1218911,,,,0.0,,,0.0,0.0,,,,,,,,,
O=C(COc1cccc(NC(=O)c2ccco2)c1)c1ccccc1,CID644814,0.0,,,,,,,0.0,,,0.0,0.0,,,0.0,,
COc1cc(Cc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)cc(OC)c1OC,CID2323684,,,,,,,,,,,,,,,0.0,,
COc1ccc(Cc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)cc1OC,CID2321526,,,,,,,,,0.0,,0.0,,,0.0,,,
COc1ccc(Cc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)cc1,CID2321528,,,,,,0.0,,,,,0.0,,,,,,
O=S(=O)(c1ccc2nc(Cc3cccc(C(F)(F)F)c3)[nH]c2c1)N1CCOCC1,CID2321536,,,,,0.0,,,,,0.0,,,,,,,0.0
CC(C)(C)n1ncc2c(=O)n(CC(=O)Nc3ccc(Cl)cc3)cnc21,CID3245361,0.0,0.0,,,,,0.0,,,,,,,,0.0,,
Cc1ccc(NC(=O)Cn2cnc3c(cnn3C(C)(C)C)c2=O)cc1,CID3235621,,0.0,0.0,,,0.0,0.0,,,,,,,,,,
CC(C)(C)n1ncc2c(=O)n(CC(=O)Nc3ccccc3)cnc21,CID3239465,0.0,0.0,,0.0,,,,,,,,0.0,,0.0,,,0.0
CC(=O)Nc1ccc(NC(=O)Cn2cnc3c(cnn3C(C)(C)C)c2=O)cc1,CID3242942,,0.0,,,,,,0.0,,0.0,,,,,,,
Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCCC(C(=O)NCc2ccccc2Cl)C1,CID5771399,,,,,,,0.0,,,,,,,,,,
Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCCC(C(=O)NCc2ccc(F)cc2)C1,CID5308788,0.0,,,,,,,0.0,,,,,,,,,
Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCCC(C(=O)NCc2ccc(Cl)cc2)C1,CID5771296,,,,0.0,,,,,,,,,,,,,
Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCCC(C(=O)NC(C)c2ccccc2)C1,CID5771388,,,,0.0,,,,,,,,,,,,,
Cc1ccc(CNC(=O)c2cc3c(=O)n4ccccc4nc3n(Cc3ccco3)c2=N)cc1,CID661867,0.0,,,,,,0.0,0.0,,,0.0,,,,,,0.0
N=c1c(C(=O)NCc2ccc(F)cc2)cc2c(=O)n3ccccc3nc2n1Cc1ccco1,CID664843,,0.0,,,,,,,,,,,,,,,
N=c1c(C(=O)NCc2ccccc2)cc2c(=O)n3ccccc3nc2n1Cc1ccco1,CID661575,0.0,0.0,0.0,,,,,0.0,,,0.0,0.0,,,,,0.0
COc1ccc(CNC(=O)c2cc3c(=O)n4ccccc4nc3n(Cc3ccco3)c2=N)cc1,CID662942,0.0,,0.0,,,,,0.0,,,,0.0,,,,,0.0
COc1ccc2c(c1)nc(SCC(=O)c1cccs1)n2C,CID2859236,,,,,,0.0,,,,,,,,,0.0,,
O=C(CSc1nc2ccccc2[nH]1)c1ccc(Cl)s1,CID2121754,,,,,,,,,0.0,,,,,0.0,,,
O=C(CSc1nc2ccccc2[nH]1)c1cccs1,CID574171,,0.0,0.0,,0.0,,,,,,,,0.0,0.0,,,
Cc1ccc2nc(SCC(=O)c3ccc(Cl)s3)[nH]c2c1,CID2341411,,,,,,,,,0.0,,0.0,,,0.0,,,
CC(=O)Nc1nc(CC(=O)c2ccccc2)cs1,CID3447813,,0.0,,0.0,,,0.0,,,0.0,,,,,,,
Cc1cc(O)cc(O)c1C(=O)Cc1cscn1,CID657998,,,,,0.0,0.0,,,,,,,,,,,0.0
Cc1nc(CC(=O)c2c(C)cc(O)cc2O)cs1,CID728370,,,0.0,,0.0,,0.0,0.0,0.0,,,,,,,,
O=C(Cc1cscn1)c1ccc(O)cc1O,CID658079,,,,,0.0,,0.0,,,,,,,,,,
O=c1nc(NCCO)[nH]c2c1C1(CCCCC1)Cc1ccccc1-2,CID1894137,,,,,,,,,,,,,,,,,0.0
CN(C)Cc1nc(=O)c2c([nH]1)-c1ccccc1CC21CCCCC1,CID655309,,,,,,,,,,0.0,,,,,,0.0,
CCN(CC)Cc1nc(=O)c2c([nH]1)-c1ccccc1CC21CCCCC1,CID645893,,,,,,,,0.0,,,,,,,,,
O=c1nc(CN(CCO)CCO)[nH]c2c1C1(CCCCC1)Cc1ccccc1-2,CID657653,,,,,,,,0.0,,,,,,,,,
COc1ccccc1Cn1[nH]nc2c(=O)nc(C3CCN(C(=O)c4ccccc4Cl)CC3)nc1-2,CID3240249,,,,,,,,,,,,,0.0,,,,
COc1ccccc1Cn1[nH]nc2c(=O)nc(C3CCN(C(=O)c4ccc(F)cc4)CC3)nc1-2,CID3245053,,,,0.0,,,,,,,,,0.0,,,0.0,
COc1ccc(Cn2[nH]nc3c(=O)nc(C4CCN(C(=O)c5ccccc5Cl)CC4)nc2-3)cc1,CID3236690,,,,,,,,,,,,,0.0,,,,
COc1ccccc1Cn1[nH]nc2c(=O)nc(C3CCN(C(=O)c4ccc(C)cc4)CC3)nc1-2,CID3237110,,,,,,,,,,0.0,0.0,0.0,,,,,
CN1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1,CID792603,,,,,,0.0,,,,,,,,0.0,,,
OCCN1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1,CID779240,,,,0.0,,0.0,0.0,,,,,,,,,0.0,
CCN1CCN(Cc2cccc(Oc3ccccc3)c2)CC1,CID791324,,,,,,,,,,,,,,,0.0,,
CN1CCN(Cc2cccc(Oc3ccccc3)c2)CC1,CID792665,,,,,,,,,,,0.0,0.0,,,,,
Cc1ccccc1S(=O)(=O)c1c(C)cc(C)n(C)c1=O,CID1483847,,,,,,,,,,,,,,0.0,,,
C=C(C)Cn1c(C)cc(C)c(S(=O)(=O)c2cccc(C)c2)c1=O,CID1483842,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1S(=O)(=O)c1c(C)cc(C)n(C(C)C)c1=O,CID1483857,,,,,,,,,,,,0.0,,0.0,,,
Cc1ccccc1S(=O)(=O)c1c(C)cc(C)n(CC(C)C)c1=O,CID1483856,,,,,,0.0,,,0.0,0.0,,,,0.0,,,
Cc1ccnc(SCCn2c(Br)nc3c2c(=O)[nH]c(=O)n3C)n1,CID662314,0.0,,,,,,0.0,,0.0,,,,,,,,0.0
Cc1ccnc(SCCn2c(Br)nc3c2c(=O)n(C)c(=O)n3C)n1,CID662986,,,,,,,,,0.0,,0.0,,,,,,0.0
Cn1c(=O)c2c(nc(Br)n2CCSc2ncccn2)n(C)c1=O,CID661328,,,,,,,,,0.0,,,,,,,,
Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2CCSc1ncccn1,CID661449,0.0,,,,,,,,0.0,,,,,,,,
COc1cccc(-n2nc(-c3ccnn3-c3ccc(F)cc3)c(=O)n(C)c2=O)c1,CID1471579,,,,,,0.0,,,,,,0.0,,0.0,0.0,,
COc1cccc(-n2nc(-c3ccnn3-c3ccccc3)c(=O)n(C)c2=O)c1,CID1471573,,,,,,,,,,,0.0,,,,0.0,,
COc1ccc(-n2nccc2-c2nn(-c3cccc(OC)c3)c(=O)n(C)c2=O)cc1,CID1471574,,,,,,,,,,,,0.0,,,0.0,,
COc1cccc(-n2nc(-c3ccnn3-c3ccc(C)cc3)c(=O)n(C)c2=O)c1,CID1471578,,,,,,0.0,,,,,0.0,,,,0.0,,
Cc1nc(NC2=NCN(Cc3cccnc3)CN2)nc2c(C)cccc12,CID665914,,,,0.0,,,,,,0.0,0.0,,,,,,
Cc1ccc2nc(NC3=NCN(Cc4cccnc4)CN3)nc(C)c2c1,CID666777,0.0,0.0,,0.0,,,,,,,0.0,,,,,,
Cc1nc(NC2=NCN(Cc3cccnc3)CN2)nc2ccccc12,CID667030,,,,,,,,,,,0.0,,,,,,
Cc1cc2nc(NC3=NCN(Cc4cccnc4)CN3)nc(C)c2cc1C,CID667110,,,0.0,,,,,,,,,,0.0,,,0.0,
CS(=O)(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N,CID654955,,,,,0.0,,,,0.0,,,,,0.0,,,
N#Cc1sc2nc(-c3cccs3)cc(-c3ccc(Cl)cc3)c2c1N,CID1005239,,,,,,,,,,,,,,0.0,0.0,,
N#Cc1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N,CID845544,,,,,,,,,,,,,,,0.0,,
CCN(CC)C(=O)c1sc2nc(-c3cccs3)cc(-c3ccc(Cl)cc3)c2c1N,CID1415522,,,,,,,,,0.0,,,,,0.0,,,
O=c1oc2ccc(Br)cc2cc1-c1nc2ccccc2o1,CID631101,0.0,,,,,,0.0,,0.0,,,,,,0.0,,0.0
COc1cccc2cc(-c3nc4ccccc4o3)c(=O)oc12,CID626179,,,,,,,,,,,,,,0.0,,,
O=c1oc2ccccc2cc1-c1nc2ccccc2o1,CID3237558,,,,,,0.0,,0.0,,,,,,,,,
COc1ccc2oc(=O)c(-c3nc4ccccc4o3)cc2c1,CID397078,,,,,,,,,0.0,,0.0,,,,,,
Cc1ccc(C)c2[nH]c(=O)c(CN(CC3CCCO3)S(=O)(=O)c3ccc4c(c3)OCCO4)cc12,CID653268,,,0.0,,0.0,,,0.0,,0.0,0.0,,0.0,,,0.0,
Cc1cc(C)c2cc(CN(CC3CCCO3)S(=O)(=O)c3ccc4c(c3)OCCO4)c(=O)[nH]c2c1,CID645847,,,,,0.0,0.0,,0.0,,,0.0,,,,,,0.0
Cc1ccc2cc(CN(CC3CCCO3)S(=O)(=O)c3ccc4c(c3)OCCO4)c(=O)[nH]c2c1C,CID649796,,,,,0.0,,0.0,0.0,,,0.0,,,,,,0.0
Cc1cc(C)c2[nH]c(=O)c(CN(CC3CCCO3)S(=O)(=O)c3ccc4c(c3)OCCO4)cc2c1,CID646111,,,0.0,,0.0,,0.0,0.0,,,0.0,,,,,0.0,
O=C(CSc1nnc(-c2ccc(Br)cc2)o1)N1CCN(C(=O)c2ccco2)CC1,CID653267,0.0,,,,,,0.0,,0.0,,0.0,,,,,,0.0
O=C(CSc1nnc(-c2ccccc2Br)o1)N1CCN(C(=O)c2ccco2)CC1,CID2531525,0.0,,,,,,0.0,,0.0,,0.0,,,,,0.0,0.0
Cc1cc(C)cc(-c2nnc(SCC(=O)N3CCN(C(=O)c4ccco4)CC3)o2)c1,CID652840,,,0.0,,,,,0.0,,,,0.0,,,,0.0,
O=C(CSc1nnc(-c2ccc(F)cc2)o1)N1CCN(C(=O)c2ccco2)CC1,CID653432,0.0,,,,,,,,,,,,,,,,0.0
COc1cc(C(=O)N2CCC(n3c(C)nc4cc(F)ccc43)CC2)cc(OC)c1OC,CID1469465,,,,,,,,,,,,0.0,,0.0,0.0,,
COc1cc(OC)cc(C(=O)N2CCC(n3c(C)nc4cc(F)ccc43)CC2)c1,CID645324,,,0.0,,,,,,,,,0.0,,,,,0.0
COc1ccc(C(=O)N2CCC(n3c(C)nc4cc(F)ccc43)CC2)cc1OC,CID644855,,,,,,,,,,,,0.0,,,,,
COc1cc(C(=O)N2CCC(n3cnc4cc(F)ccc43)CC2)cc(OC)c1OC,CID655659,,,0.0,,,,0.0,,,,,,0.0,,,,
CSc1ncccc1C(=O)OCC(=O)NC1CCS(=O)(=O)C1,CID2998003,,,,,0.0,,0.0,,,,,,,,,,
CSc1ncccc1C(=O)OCC(=O)N(CC(C)C)C1CCS(=O)(=O)C1,CID2999572,,,,,0.0,0.0,,,,,,,,,,,
CN(C(=O)COC(=O)c1cncc(Br)c1)C1CCS(=O)(=O)C1,CID4362320,,,,,,,,,,,,,,0.0,,,
CCN(C(=O)COC(=O)c1cccnc1SC)C1CCS(=O)(=O)C1,CID2999042,,,,0.0,0.0,,0.0,,,,,,,,,,
Cc1ccccc1OCCCCc1c(C)n[nH]c1C,CID2058969,,0.0,,,0.0,0.0,0.0,0.0,,,,0.0,,,,0.0,
Cc1cccc(C)c1OCCCCc1c(C)n[nH]c1C,CID2238014,0.0,,,,0.0,,0.0,0.0,,,,,,,,0.0,
Cc1cccc(OCCCCc2c(C)n[nH]c2C)c1C,CID2232803,,,,,0.0,,0.0,0.0,,,,,,,,0.0,
Cc1cccc(OCCCCc2c(C)n[nH]c2C)c1,CID2057670,,,,,0.0,,0.0,0.0,,0.0,,,,,,0.0,
CCOc1ccc(CCNC(=O)CN2CCN(Cc3ccccc3C)C2=O)cc1OCC,CID3241840,0.0,,,,0.0,,,,0.0,,,,,,,,0.0
CCOc1ccc(CCNC(=O)CN2CCN(Cc3ccc(F)cc3)C2=O)cc1OCC,CID3239203,,,0.0,,,,,0.0,,,,,,,,,
O=C(CN1CCN(Cc2ccccc2F)C1=O)NCCc1ccc(Cl)cc1,CID9550755,,,,,,0.0,,,0.0,,,,,,,,
COc1ccc(CCNC(=O)CN2CCN(Cc3ccc(F)cc3)C2=O)cc1OC,CID9550754,,,,,,0.0,,,,,,,,,,,
Cc1nnc(NC(=O)c2oc3cc(C)c(C)cc3c2C)s1,CID830436,,,,,0.0,,0.0,0.0,,0.0,,0.0,0.0,,,,0.0
Cc1ccc2c(C)c(C(=O)Nc3nnc(C)s3)oc2c1,CID2219584,0.0,,,0.0,0.0,,0.0,,,0.0,0.0,,,,,,
Cc1c(C(=O)Nc2nnc(C(F)(F)F)s2)oc2ccccc12,CID1245476,,,,,0.0,,,,,0.0,,,,,,,0.0
Cc1ccc2oc(C(=O)Nc3nnc(C)s3)c(C)c2c1,CID830424,,,,,,,,,,,0.0,,,,,,
Cc1ccc2[nH]cc(CCNC(=O)c3cccnc3)c2c1,CID2029826,,,,,,,,,,,,0.0,,,,,
O=C(NCCc1c[nH]c2ccccc12)c1cccnc1,CID65768,,0.0,,0.0,,,0.0,,,,,,0.0,,,0.0,
O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccnc1,CID1973967,,,,,,,,,,,,,,,0.0,,
O=C(NCCc1c[nH]c2ccccc12)c1cncc(Br)c1,CID2546309,,,,,,,,,,,,,,,0.0,,
COc1cccc(C2C/C(=C3/C(=O)N=c4ccc(Cl)cc4=C3c3ccccc3)NN2S(C)(=O)=O)c1OC,CID6098762,,,,,,,,,,,0.0,,,,,,
COc1ccccc1C1C/C(=C2/C(=O)N=c3ccc(Cl)cc3=C2c2ccccc2)NN1S(C)(=O)=O,CID6100020,,,,,,,,,,0.0,,,,,,,
COc1ccc(C2C/C(=C3/C(=O)N=c4ccc(Cl)cc4=C3c3ccccc3)NN2S(C)(=O)=O)cc1,CID5883329,,,,,,,,,,,0.0,,,,,,
COc1ccc(C2C/C(=C3/C(=O)N=c4ccc(Cl)cc4=C3c3ccccc3)NN2S(C)(=O)=O)cc1OC,CID5927003,,,,,,,,,,,0.0,,,,,,
Cc1cccc(C)c1-n1c(C)cc(/C=N/Nc2ccc([N+](=O)[O-])cn2)c1C,CID2880298,,,,,,,,,,,,0.0,,,0.0,,
Cc1ccc(-n2c(C)cc(/C=N/Nc3ccc([N+](=O)[O-])cn3)c2C)cc1,CID4516862,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-n2c(C)cc(/C=N/Nc3ccc([N+](=O)[O-])cn3)c2C)c(C)c1,CID3504340,,,,,,0.0,,,,,,,,,0.0,,
Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccccc1,CID3646721,,,,,,,,,,,,0.0,,,,,
O=c1c2c(nc3c(-c4ccccc4)c[nH]n13)CCCC2,CID804632,,,,,,,,,,,,,,,0.0,0.0,
O=c1c2c(nc3c(-c4ccc(Cl)cc4)c[nH]n13)CCCC2,CID650677,0.0,0.0,0.0,0.0,,,,,,0.0,,,,,,,
O=c1c2c(nc3c(-c4cccc(Br)c4)c[nH]n13)CCCC2,CID675326,0.0,,,,,,0.0,,0.0,,0.0,,,,,0.0,
Cc1[nH]n2c(=O)c3c(nc2c1-c1ccccc1)CCCC3,CID666416,0.0,,,,0.0,,0.0,,,,,0.0,,,,,
CSc1ccc(C2NC(=O)c3c(sc4c3CCN(C)C4)N2)cc1,CID3786084,,,,,0.0,,,,,,,,,,,,
CCOc1ccc(Br)cc1C1NC(=O)c2c(sc3c2CCN(C)C3)N1,CID3236560,0.0,,,,,,,,0.0,,,,,,,,0.0
CCOC(=O)N1CCc2c(sc3c2C(=O)NC(c2ccccc2)N3)C1,CID3236572,,,,0.0,0.0,,0.0,,0.0,,0.0,,,,,0.0,
COc1ccc(Br)cc1C1NC(=O)c2c(sc3c2CCN(C)C3)N1,CID661312,0.0,,,,,,,,,,0.0,,,,,0.0,0.0
O=C(NNc1ccccn1)c1ccccc1CC[N+](=O)[O-],CID1474111,,,,,,,,,,,,,,,0.0,,
O=C(NNc1cccc(Cl)n1)c1c(Cl)cccc1Cl,CID1482437,,,,,,,,,,,,,,0.0,,,
O=C(O)c1ccccc1C(=O)NNc1cccc(Cl)n1,CID2769284,,,,,,,,,,,,,,,0.0,,
Nc1ccccc1C(=O)NNc1ncc(C(F)(F)F)cc1Cl,CID3329098,,,,,,,,,,,,,,0.0,,,
CC1=C(C(=O)OC(C)(C)C)C(c2ccco2)C(C#N)=C(N)O1,CID2942045,,,,,0.0,,0.0,0.0,,,,,,,,,
CCOC(=O)CC1=C(C(=O)OCC)C(c2ccc(C)o2)C(C#N)=C(N)O1,CID3241774,0.0,,,,0.0,,,,,,,,,,,0.0,
CC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccco1,CID540386,,,,,0.0,,,0.0,,,,0.0,,,,,
COCCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccco1,CID661477,,,,0.0,0.0,,,0.0,,,,,,,,0.0,0.0
N#Cc1nc(COc2ccccc2)oc1N1CCCCC1,CID714021,0.0,0.0,,0.0,,0.0,,0.0,,,,,0.0,,0.0,,
Cc1cccc(OCc2nc(C#N)c(N3CC(C)CC(C)C3)o2)c1,CID3583494,0.0,,,0.0,0.0,0.0,,,,,,,,,,,
COc1ccccc1OCc1nc(C#N)c(N2CC(C)CC(C)C2)o1,CID4103309,0.0,,,,0.0,,,,,,,,,,,0.0,
COc1ccccc1OCc1nc(C#N)c(N2CCC(C(N)=O)CC2)o1,CID661496,,0.0,,,,,,,,,,,,,,,
O=C(Nc1nccs1)c1ccc(COc2ccc(Cl)cc2)o1,CID717217,0.0,,0.0,0.0,0.0,,,,,0.0,,0.0,,,,,0.0
Cc1ccc(OCc2ccc(C(=O)Nc3nccs3)o2)cc1,CID648119,0.0,,,,0.0,0.0,0.0,0.0,,,,,0.0,,,,
Cc1ccc(OCc2ccc(C(=O)Nc3nccs3)o2)cc1C,CID2192756,,,,,,,,,,,0.0,,,,,,
O=C(Nc1nccs1)c1ccc(COc2ccccc2Br)o1,CID1269615,0.0,,,,,,,,,,,,,0.0,,0.0,
COc1ccc(CCCc2nnc(SCC(=O)Nc3cc(C)ccc3C)o2)cc1,CID5216953,,,,,,0.0,,,,,,,,,,,
COc1ccc(CCCc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)o2)cc1,CID4303657,,,,,,0.0,,,,,,,,,,,
COc1ccc(CCCc2nnc(SCC(=O)Nc3cc(C)c(C)cc3Br)o2)cc1,CID664980,0.0,,,,,,0.0,,0.0,,,,,,,0.0,
COc1ccc(CCCc2nnc(SCC(=O)Nc3ccccc3F)o2)cc1,CID4066452,,,,,,,,,,,,,,0.0,,,
CC(=O)Nc1ccc(N2CCCCC2)c(C(=O)Nc2cccc(C)c2)c1,CID2213707,,,,,,,,,,,,0.0,,,,,
CCC(=O)Nc1ccc(N2CCCCC2)c(C(=O)Nc2ccccc2C)c1,CID1249831,,,,,,,,,,,,0.0,,,,,
Cc1ccccc1NC(=O)c1cc(N)ccc1N1CCCCC1,CID2227158,0.0,0.0,,,,,0.0,,,,,,,,,0.0,
Cc1ccc(NC(=O)c2cc(NC(=O)CCC(=O)O)ccc2N2CCCCC2)cc1,CID1080143,,,,,,0.0,,,0.0,,,0.0,,,,,
CCCn1nc(NC(=O)C2CCCO2)c2cc3cc(C)ccc3nc21,CID4921367,,,,,,,,,,,0.0,,,,,,
Cc1ccc2cc3c(NC(=O)C4CCCO4)nn(CC(C)C)c3nc2c1,CID4209814,,,,,,,,,,0.0,,,,,,,
COc1ccc2nc3c(cc2c1)c(NC(=O)C1CCCO1)nn3CC(C)C,CID665344,,,,,0.0,,,,,,,,,,,,
CC(C)Cn1nc(NC(=O)C2CCCO2)c2cc3ccccc3nc21,CID665069,,0.0,,0.0,0.0,,,0.0,,,,,,0.0,,,
O=c1cc(O)n(Cc2ccccc2)c2ccccc12,CID2785069,,,,,,,,,,,,,,0.0,,,
COc1ccc(Cn2cc(C(=O)O)c(=O)c3ccccc32)cc1,CID1476756,,,,,,,,,,,,,,,0.0,,
COc1ccc2c(c1)c(=O)c(Br)c(C)n2Cc1ccccc1,CID1306848,0.0,,,,,,,,,,0.0,,,,0.0,,0.0
O=c1cc(O)n(Cc2ccccc2Cl)c2ccccc12,CID1503573,,,,,,,,,,,,,,,0.0,,
Cc1cccc(-c2noc(CCCC(=O)Nc3cccnc3)n2)c1,CID667196,,0.0,0.0,,,0.0,,0.0,,,,,0.0,0.0,,,
O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)Nc1cccnc1,CID667359,,,,0.0,,,0.0,,,,,,,,0.0,0.0,
O=C(CCCc1nc(-c2ccccc2)no1)Nc1cccnc1,CID666208,,,0.0,,,,,0.0,,,,,,0.0,,,
Cc1ccc(-c2noc(CCCC(=O)Nc3cccnc3)n2)cc1,CID666501,,,,0.0,,,,0.0,,,,,,0.0,,,
N#Cc1cc(-c2ccccc2)cnc1Sc1ccc(Cl)cc1,CID3738180,,,,,,,,,,,,,,,0.0,,
N#Cc1cc(-c2ccc(Cl)cc2)cnc1Sc1ccc(F)cc1,CID1479159,,,,,,,,,,,,,,,0.0,,
Cc1nc(Sc2ccccc2)c(C#N)cc1-c1ccccc1,CID1476369,,,,,,0.0,,,,,,,,,,,
N#Cc1cc(-c2ccccc2)cnc1Sc1ccccc1,CID3746730,,,,,,0.0,,,,,,,,,,,
COc1ccc(-c2c(NC(=O)c3ccco3)n(C)c3ccccc3c2=O)cc1,CID2031397,,,,,,,,,0.0,,,,,0.0,,,
CCn1c(NC(=O)c2ccco2)c(-c2ccccc2Cl)c(=O)c2ccccc21,CID667152,0.0,,,,,,,,,,,,,,,,
Cn1c(NC(=O)c2ccco2)c(-c2ccccc2)c(=O)c2ccccc21,CID665946,0.0,,,0.0,,,0.0,0.0,0.0,,0.0,,,0.0,,,
Cn1c(NC(=O)c2ccco2)c(-c2ccccc2Cl)c(=O)c2ccccc21,CID667000,0.0,,0.0,0.0,,,,,,,,,0.0,0.0,,0.0,
COC(=O)CS(=O)(=O)c1nnc(C(Cc2ccccc2)NC(=O)OC(C)(C)C)o1,CID665535,,,,,,,,,0.0,,,,0.0,,,,
CCOC(=O)CSc1nnc(C(Cc2ccccc2)NC(=O)OC(C)(C)C)o1,CID667144,,0.0,,,,,0.0,,,0.0,,,0.0,,,,0.0
COC(=O)CSc1nnc(C(Cc2ccccc2)NC(=O)OC(C)(C)C)o1,CID665187,,,0.0,,,,0.0,0.0,0.0,,0.0,,0.0,,,,0.0
CC(C)(C)OC(=O)NC(Cc1ccccc1)c1nnc(SCC(=O)O)o1,CID666348,,,0.0,0.0,,,,,0.0,,,,0.0,,,,
COCCN(C(C)=O)c1nnc(-c2cnccn2)s1,CID648361,,,,,,,,,,,,,,,,,0.0
COCC(=O)N(C)c1nnc(-c2cnccn2)s1,CID651880,,0.0,,,,,,,,,,,,,0.0,,
COCC(=O)N(C)c1nnc(-c2cnc(C)cn2)s1,CID652100,,0.0,0.0,0.0,,,,,,,,,,,,,0.0
CC(=O)N(C)c1nnc(-c2cnccn2)s1,CID1447060,,,,,,,,,,0.0,0.0,,,,,,
CC(C)c1nc(SCC(=O)N2CCCC2)c2ccccc2n1,CID646786,,,,0.0,,,,0.0,,,0.0,,,,0.0,0.0,0.0
CCc1nc(SCC(=O)N2CCCC2)c2ccccc2n1,CID652846,,,,,,,0.0,0.0,,,,,,,,0.0,0.0
O=C(CSc1ncnc2ccccc12)N1CCCC1,CID4551247,,,,,,,,,,0.0,,0.0,0.0,,,,
CCCc1nc(SCC(=O)N2CCCC2)c2ccccc2n1,CID648420,0.0,,,,,,0.0,,,,,0.0,0.0,,0.0,,0.0
Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)CC1,CID2983872,0.0,0.0,,,0.0,0.0,,,,,,0.0,,,,,0.0
Cn1c(=O)oc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21,CID667129,0.0,,,,0.0,0.0,0.0,,,,,,,,0.0,,0.0
Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)CC2)c1,CID3236906,,,,,0.0,0.0,,0.0,,,,,,,0.0,,0.0
Cn1c(=O)oc2cc(S(=O)(=O)N3CCN(c4ccccc4)CC3)ccc21,CID666417,0.0,0.0,,,,,,,0.0,,0.0,,,,,,
O=C(Nc1nnc(Cc2ccccc2)s1)c1cccs1,CID644784,0.0,0.0,0.0,,0.0,0.0,,,0.0,,0.0,,,0.0,,,
COc1ccc(Cc2nnc(NC(=O)c3cccs3)s2)cc1,CID806181,0.0,,0.0,0.0,0.0,,0.0,,0.0,,,,,,0.0,,
COc1ccc(Cc2nnc(NC(=O)c3cccs3)s2)cc1OC,CID1399901,,,,,,,,,,,,,,0.0,,,
O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1cccs1,CID1400299,,,,,,,,,,,,,,0.0,0.0,,
Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C,CID5344,,0.0,,0.0,,,0.0,,0.0,,,,,,0.0,0.0,
CCOC(=O)C(NC(=O)CC)(Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1)C(F)(F)F,CID384763,0.0,,,,0.0,,0.0,,,0.0,,0.0,,,,,
CCOC(=O)C(NC(C)=O)(Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1)C(F)(F)F,CID657948,0.0,,,,0.0,,,,,,,,,,,,
CCOC(=O)c1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)no2)cc1,CID2121635,,,,0.0,0.0,,,0.0,0.0,0.0,0.0,0.0,0.0,,,0.0,
COc1ccc(C(=O)Nc2c(-c3ccccc3)nc3ccc(C)cn23)cc1,CID979381,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-c2nc3ccccn3c2NC(=O)c2ccccc2)cc1,CID880038,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-c2nc3c(C)cccn3c2NC(=O)c2ccccc2)cc1,CID675139,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-c2nc3ccc(C)cn3c2NC(=O)c2ccccc2)cc1,CID853375,,,,,,0.0,,,,,,,,,,,
S=c1[nH]nc(COc2ccc(Cl)cc2)o1,CID681971,,0.0,,,,,,,,0.0,,,0.0,,,0.0,0.0
COc1ccc(OCc2n[nH]c(=S)o2)cc1,CID2447511,,,,,,,,,,,,,,0.0,,,
Cc1cccc(OCc2n[nH]c(=S)o2)c1,CID2901686,,0.0,,0.0,0.0,,,,,,,,,,,,0.0
Cc1cccc(C)c1OCc1n[nH]c(=S)o1,CID972500,,,,,,,,,,0.0,,,,,,,
Cc1cc(Cl)ccc1OCC(=O)NCCc1nc2ccccc2[nH]1,CID2888111,,,,,,0.0,,,,,,,,,,,
O=C(COc1ccccc1)NCCc1nc2ccccc2[nH]1,CID721475,,,,,,,,,,0.0,,,,,0.0,0.0,
COc1ccccc1OCC(=O)NCCc1nc2ccccc2[nH]1,CID717658,,0.0,,0.0,,0.0,,,0.0,,,,0.0,,,,
CCOc1ccc(OCC(=O)NCCc2nc3ccccc3[nH]2)cc1,CID732623,,,,,,,,,,,0.0,,,,,,
CCC1CCCCN1C(=O)CSC1=NN/C(=C2/C=Nc3ccccc32)O1,CID5770828,,,,,,,,,,,,0.0,,,,,
CC1CCCC(C)N1C(=O)CSC1=NN/C(=C2/C=Nc3ccccc32)O1,CID5770818,,,,,,,0.0,,,,,0.0,0.0,,,,
CC1CCCN(C(=O)CSC2=NN/C(=C3/C=Nc4ccccc43)O2)C1,CID5770825,,,,0.0,,0.0,,,,,,,,,,,
CC1CCCCN1C(=O)CSC1=NN/C(=C2/C=Nc3ccccc32)O1,CID5770824,,,0.0,,,,,,,,,,,,,0.0,
CSC1=NCCN1C(=O)Cc1ccc(Cl)cc1,CID4415633,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(CC(=O)N2CCN=C2SC)cc1,CID5064375,,,,,0.0,0.0,,0.0,,,,0.0,,,,,
CSC1=NCCN1C(=O)Cc1ccc(F)cc1,CID4568719,,,0.0,,,0.0,,,,,,,,,,,
CCOc1ccc(CC(=O)N2CCN=C2SC)cc1,CID4390721,,,,,,,,,,,,,,,0.0,,
COc1cc(C2NC(=O)NC(O)(C(F)(F)F)C2C(=O)c2cccs2)ccc1O,CID2998905,0.0,,,,,,,,,0.0,,,,,,,0.0
O=C1NC(c2ccccc2)C(C(=O)c2cccs2)C(O)(C(F)(F)F)N1,CID646012,,,,,0.0,,,,,,,,,,,,
CN1C(=O)NC(c2cccc(O)c2)C(C(=O)c2cccs2)C1(O)C(F)(F)F,CID3244096,0.0,,,,,,,,,,,,,,,,0.0
CN1C(=O)NC(c2ccc(O)cc2)C(C(=O)c2cccs2)C1(O)C(F)(F)F,CID3240042,0.0,,,,,,,,,,,,,,,,
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCc1ccccc1,CID1106225,,,,,,,,,,,,,,,0.0,,
COc1ccc(N(CC(=O)NCc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1,CID1117125,,,,,,,,,,,,,,,0.0,,
Cc1ccc(CNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1,CID1016301,,,,,,0.0,,,,,,,,,,,
COc1ccc(N(CC(=O)NCc2ccccc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1,CID2863873,,,,,,0.0,,,,,,,,,,,
CCC1NC(=S)N(C2CCCCC2)C1=O,CID3144188,,,,,,0.0,,,,,,,,,,,
CCCCC1NC(=S)N(C2CCCCC2)C1=O,CID5160429,,,,,,,,,,,,,,,0.0,,
CC(C)CC1NC(=S)N(C2CCCCC2)C1=O,CID2900809,,,,,,0.0,,,,,,,,,,,
CCC(C)C1NC(=S)N(C2CCCCC2)C1=O,CID3144202,,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccccc1-c1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1,CID2547821,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1[N+](=O)[O-],CID779947,,,,,,0.0,,,,,,0.0,,0.0,,,
O=C(Nc1ccccc1-c1ccccc1)c1cccc([N+](=O)[O-])c1,CID818645,,,,,,,,,,,,0.0,,,,,
COc1ccc(Br)cc1C(=O)Nc1ccccc1-c1ccccc1,CID1300987,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C(=O)c2cncc(Br)c2)cc1,CID2055944,0.0,,,,,,,,0.0,,0.0,0.0,,,,0.0,0.0
O=C(c1ccccc1)c1cncc(Br)c1,CID796643,0.0,,,,,,,,0.0,,,0.0,,,,,0.0
Nc1ccnc(C(F)(F)F)c1C(=O)c1ccccc1,CID684466,,,,,,,,,0.0,,,,,,,,0.0
CCc1ccc(C(=O)c2cncc(Br)c2)cc1,CID3089187,,,,,,,,,0.0,,0.0,0.0,,,,,
Cc1ccccc1Cn1nc(C)c(NC(=O)c2noc3c2CCCC3)c1C,CID3237784,0.0,0.0,,,,,,0.0,,,0.0,,0.0,,,,0.0
Cc1ccccc1Cn1cc(NC(=O)c2noc3c2CC(C(C)(C)C)CC3)cn1,CID3243466,0.0,,0.0,,0.0,,,,,,,,,,,,0.0
Cc1ccccc1Cn1nc(C)c(NC(=O)c2noc3c2CC(C(C)(C)C)CC3)c1C,CID3244774,,0.0,,,,0.0,0.0,,,,,,,,,,
O=C(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)c1noc2c1CCCC2,CID5307340,0.0,,,,,,,,,,,,,,,,
Cc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)c3cccs3)n2)cc1,CID1463791,,,,,,,,,,0.0,,,,,,,
O=C(Cn1nnc(-c2ccccc2NC(=O)c2cccs2)n1)Nc1ccccc1,CID646707,0.0,0.0,0.0,,0.0,,,,,,,,,,0.0,0.0,
COc1ccccc1NC(=O)Cn1nnc(-c2ccccc2NC(=O)c2cccs2)n1,CID656151,0.0,0.0,,0.0,,,,,,,,,,,,0.0,
COc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)c3cccs3)n2)cc1,CID651595,0.0,0.0,0.0,0.0,,,,0.0,,,,,,,,,
CCOC(=O)Cc1[nH]nc2c1C(c1ccoc1)C(C#N)=C(N)O2,CID2962013,,,,,,,,0.0,,,,,,,,0.0,
Cc1[nH]nc2c1C(c1ccoc1)C(C#N)=C(N)O2,CID645331,,0.0,,,,,0.0,0.0,,,,,,,,0.0,
CCSc1cc(C2C(C#N)=C(N)Oc3n[nH]c(C)c32)c(C)o1,CID2950288,,,,,,,,0.0,,,,,0.0,,,0.0,
CC(C)(C)c1[nH]nc2c1C(c1ccoc1)C(C#N)=C(N)O2,CID2908920,,,,,,,,,,,0.0,,,,,,
O=C1/C(=C/Nn2cnnc2)c2ccccc2C(=O)N1c1ccccc1,CID5742558,,,,,,,,,,,,,,,0.0,,
COc1ccc(N2C(=O)/C(=C\Nn3cnnc3)c3ccccc3C2=O)cc1,CID5310817,,,0.0,,,0.0,0.0,,,,,,0.0,,,,
O=C1/C(=C\Nn2cnnc2)c2ccccc2C(=O)N1c1ccccc1F,CID5665479,,,,,,,,0.0,,,,,0.0,,,,
Cc1ccc(N2C(=O)/C(=C\Nn3cnnc3)c3ccccc3C2=O)cc1,CID5310634,,,0.0,,,,,,,,,,,,,,
Cc1cccc(C)c1NC(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1,CID1152648,,,,,,,,,,0.0,,,,,,,
Cc1ccc(NC(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1C,CID1152505,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccccc1NC(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1,CID648793,0.0,,,,0.0,,,0.0,,0.0,,,,,,,0.0
COC(=O)c1ccc(C(=O)OC)c(NC(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)c1,CID993250,,,,,0.0,,,,,,,,0.0,,,,
COc1cccc2sc(N(C)c3ccccc3)nc12,CID3240693,,,,,,0.0,,,,0.0,,,,,,,
c1ccc(Nc2nc3ccccc3s2)cc1,CID230981,,,,,,,,,,,,,,,0.0,,
COc1ccc2nc(Nc3ccccc3)sc2c1,CID6622235,,,,,,,,,,,,,,0.0,,,
COc1ccc(Nc2nc3ccccc3s2)cc1,CID220926,,,,,,,,,,,,,,,0.0,,
COc1ccc(CNC(=O)CSc2nnnn2-c2ccccc2)cc1,CID1102237,0.0,0.0,,,0.0,,,,,,,,,0.0,,0.0,
COC(=O)c1ccc(-n2nnnc2SCC(=O)NCc2cccc(C(=O)O)c2)cc1,CID664987,,,0.0,,,,,,0.0,,,,,,,0.0,0.0
COc1ccc(CNC(=O)CSc2nnnn2-c2ccc(O)cc2)cc1,CID2565734,,0.0,,,,,,,,,0.0,,0.0,,,,
CCC(Sc1nnnn1-c1ccccc1)C(=O)NC(C)c1ccccc1,CID2940112,0.0,,0.0,,0.0,,0.0,,0.0,0.0,0.0,,,,0.0,0.0,
O=C(Nc1ccccc1Cl)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)CS2=O,CID5065909,0.0,0.0,,,0.0,,,,,,,,,,,,
O=C(Nc1ccc(Br)cc1F)c1ccc2c(c1)N(Cc1ccccc1)C(=O)CS2=O,CID5307881,0.0,,,,,,,,,,,,,,,0.0,
CCOc1ccc(NC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)CS3=O)cc1,CID5308818,,,,0.0,,,,0.0,,,,0.0,,,,,
Cc1ccc(C)c(NC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)CS3=O)c1,CID5308240,,,0.0,,,,,,,,,,,,,,
COc1ccc(OC)c(N2C(=O)C(Cl)=C(N3CCOCC3)C2=O)c1,CID1379075,,,,,,,,,,,,,0.0,,,0.0,0.0
COC(=O)c1cccc(N2C(=O)C(Cl)=C(N3CCOCC3)C2=O)c1,CID650622,,,,0.0,,,,,,0.0,,,,,,,
O=C1C(Cl)=C(N2CCOCC2)C(=O)N1c1cccc(Cl)c1,CID779063,0.0,,,,,,,,,0.0,,,,,,,
O=C1C(Cl)=C(N2CCOCC2)C(=O)N1c1ccccc1Cl,CID796318,,,,,,,,,,,,,,,,0.0,
Cc1ccc(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)o1,CID646081,,,,,,,1.0,,,,,,,,,,
Cc1ccc(C(=O)Nc2ncc(Cc3ccccc3)s2)o1,CID652850,0.0,0.0,0.0,,0.0,0.0,,0.0,,,0.0,,,,,,
Cc1cccc(Cc2cnc(NC(=O)c3ccc(C)o3)s2)c1,CID2147600,,,,,,,,,,,0.0,,,,,,
Cc1ccc(Cc2cnc(NC(=O)c3ccco3)s2)cc1,CID724162,,,,,,,,,,0.0,0.0,,,,,,
Cc1ccc(OCc2nnc(SCC(=O)Nc3sc(C)c(C)c3C#N)n2C)cc1,CID646088,0.0,0.0,,,0.0,0.0,,,0.0,0.0,,,0.0,,,0.0,
Cc1sc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)n2C)c(C#N)c1C,CID651987,,,,,,,,,0.0,,,,,,,,
Cc1sc(NC(=O)CSc2nnc(COc3ccccc3)n2C)c(C#N)c1C,CID649323,0.0,,0.0,0.0,0.0,,0.0,,0.0,,,0.0,,,,,0.0
Cc1cccc(OCc2nnc(SCC(=O)Nc3sc(C)c(C)c3C#N)n2C)c1,CID654910,0.0,0.0,,0.0,0.0,,,,0.0,0.0,0.0,,,,,0.0,0.0
CC(=O)Oc1ccc2cc(-c3nc4ccccc4n3C)c(=O)oc2c1,CID708260,0.0,,0.0,0.0,,0.0,,,,,,,0.0,,0.0,,
CCN(CC)c1ccc2cc(-c3nc4ccccc4n3C)c(=O)oc2c1,CID100335,,,,,,,0.0,,,,0.0,0.0,0.0,,,,
Cn1c(-c2cc3ccc(OC(=O)C(C)(C)C)cc3oc2=O)nc2ccccc21,CID1522831,,,,,,,,,0.0,,0.0,,,,,,
CCN(CC)c1ccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc2c1,CID94381,0.0,0.0,,,0.0,,0.0,0.0,,0.0,0.0,1.0,,,,,
COc1ccccc1NCN1C(=O)CCC1=O,CID767119,,,,,,,,,0.0,0.0,,,0.0,,,,
CCCCCC(=O)N(CN1C(=O)CCC1=O)c1ccccc1,CID660913,,,,,,,,,,,0.0,,,,0.0,,
CCOC(=O)CCC(NC(=O)c1ccc(NCN2C(=O)CCC2=O)cc1)C(=O)OCC,CID2849131,,,,,,,,,0.0,,,0.0,,,,,
COc1ccc(NCN2C(=O)CCC2=O)cc1,CID748195,,,,,,,,,0.0,0.0,,,,,,,
CCCn1c(SCC(=O)Nc2cccc(C)n2)nnc1-c1ccco1,CID646667,0.0,0.0,,0.0,0.0,0.0,,,,,0.0,0.0,0.0,,,,
CCn1c(SCC(=O)Nc2cccc(C)n2)nnc1-c1ccco1,CID644778,,0.0,,0.0,0.0,,,0.0,,,0.0,,,,0.0,0.0,
CCCCn1c(SCC(=O)Nc2cccc(C)n2)nnc1-c1ccco1,CID646603,0.0,,0.0,,0.0,,0.0,,,,,,0.0,,,0.0,
COCCCn1c(SCC(=O)Nc2cccc(C)n2)nnc1-c1ccco1,CID653167,,,0.0,,,,,,,,0.0,,,,,0.0,
CN1CCN(C(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)CC1,CID1006782,,0.0,,,0.0,,,,,,,,,,,,
CCOC(=O)N1CCN(C(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)CC1,CID2897661,,,,,,,,,,,0.0,,,,,,
CN1CCN(C(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)CC1,CID651717,0.0,0.0,,0.0,0.0,,0.0,,,,,,0.0,,0.0,,0.0
CCOC(=O)N1CCN(C(=O)c2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)CC1,CID1076460,,,,,,,,,,,,,,,0.0,,
Cc1nc2nc(-c3ccco3)[nH]n2c(=O)c1C,CID2038794,,,,,,,,,0.0,,,,,,0.0,,
COC(=O)Cc1c(C)nc2nc(-c3ccco3)[nH]n2c1=O,CID934559,,0.0,0.0,,,,,,0.0,,,,,,,,
Cc1cc(=O)n2[nH]c(-c3ccco3)nc2n1,CID707969,,,,,,,,,0.0,,,0.0,,,,,
CCCc1cc(=O)n2[nH]c(-c3ccco3)nc2n1,CID1265958,,,,,,,,,0.0,,,0.0,,,,,
O=c1cc(N2CCN(c3ccccc3)CC2)[nH]c(=O)n1Cc1ccc(F)cc1,CID5310579,,0.0,,,,,,,,,,,,,0.0,,
O=c1cc(N2CCN(c3ccc(F)cc3)CC2)[nH]c(=O)n1Cc1ccc(F)cc1,CID7080712,,,,,,,,,,,,,,0.0,,,
COc1ccc(N2CCN(c3cc(=O)n(Cc4ccc(F)cc4)c(=O)[nH]3)CC2)cc1,CID5310535,,,,,,,,0.0,,,,,,,,,
COc1ccccc1N1CCN(c2cc(=O)n(Cc3ccc(F)cc3)c(=O)[nH]2)CC1,CID5310577,,,,,,,,,0.0,,,,0.0,,,,
CCOc1ccc(/C=N/NC(=S)Nc2c(C)cccc2C)cc1,CID2339666,,,,,,,,,0.0,,0.0,,,,,,
COc1cc(/C=N/NC(=S)Nc2cccc(C(=O)O)c2)cc(OC)c1OC,CID12004469,,,,,,,,,,,,,,,0.0,,
CCCCOc1ccc(/C=N/NC(=S)Nc2cc(C)ccc2C)cc1,CID2382757,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC(=S)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1,CID832835,,,,,,,,,,,,,,0.0,,,
Cc1ccc2nc3c(cc2c1)c(NC(=O)c1cccnc1)nn3C,CID665235,,0.0,0.0,,,,0.0,,,,,,0.0,0.0,0.0,,
Cc1ccc2cc3c(NC(=O)c4cccnc4)nn(C)c3nc2c1,CID665114,,0.0,,0.0,,0.0,0.0,0.0,,,,,,0.0,,,
CCn1nc(NC(=O)c2cccnc2)c2cc3cccc(C)c3nc21,CID664677,,0.0,,0.0,,,,0.0,,,,0.0,0.0,,0.0,,0.0
CCn1nc(NC(=O)c2cccnc2)c2cc3ccccc3nc21,CID662669,,,0.0,0.0,,0.0,,,0.0,,,0.0,,0.0,0.0,,
N#Cc1ccccc1Cn1cc(C(=O)c2ccco2)c2ccccc21,CID655624,0.0,,0.0,,,,,,0.0,,,,0.0,,,0.0,
O=C(c1ccco1)c1cn(Cc2ccccc2)c2ccccc12,CID4127214,,,,,,0.0,,,,,,,,,,,
N#Cc1ccc(Cn2cc(C(=O)c3ccco3)c3ccccc32)cc1,CID955152,,,,,,0.0,,,0.0,,,0.0,,0.0,0.0,,
O=C(c1ccco1)c1cn(Cc2ccc(Cl)cc2)c2ccccc12,CID955150,,,,,,,,,,0.0,,,,,,,
COCC(=O)Nc1nnc(SCC(=O)NCc2cccs2)s1,CID655628,,,,,0.0,,,,0.0,,,,,,,,
CC(C)(C)C(=O)Nc1nnc(SCC(=O)NCc2cccs2)s1,CID3220530,,,,,,,,,0.0,,,,,,,,
CCCC(=O)Nc1nnc(SCC(=O)NCc2cccs2)s1,CID3220527,,,,,,,,,0.0,,,,,,,,
CC(C)C(=O)Nc1nnc(SCC(=O)NCc2cccs2)s1,CID648566,,,,,0.0,,,,,,,,,,,,
COc1ccc(C(C)=O)cc1CN1C(=O)NC2(CCCCC2)C1=O,CID2622478,,,,,,,,,0.0,,,,,,,,
CCOc1ccc(C(C)=O)cc1CN1C(=O)NC2(CCCCC2C)C1=O,CID2998699,,,,0.0,0.0,,,,,,0.0,0.0,,,,,0.0
O=C1NC2(CCCCC2)C(=O)N1Cc1cccc(C(F)(F)F)c1,CID2622711,,,,,,,,,,,,,,0.0,,,
CSc1ccc(CN2C(=O)NC3(CCCCC3)C2=O)cc1,CID2622723,,,,,,,,,,,,,,0.0,,,
Fc1ccccc1OCCCCn1cncn1,CID2948887,,,,0.0,,,,,,0.0,,,,,,,
Cc1cc(Cl)cc(Br)c1OCCCCn1cncn1,CID2199973,,,,,,,,,,,,,,,,,0.0
CC(=O)CCc1ccc(OCCCCn2cncn2)cc1,CID2199248,,0.0,0.0,,,,,,0.0,,,,0.0,,,,
C/C=C/c1ccc(OCCCCn2cncn2)c(OC)c1,CID2199894,,0.0,,,,,,,,,,,0.0,,0.0,,
CCSc1nnc(NC(=O)c2csc3c2CCC(C)C3)s1,CID2960053,,,,,,,,,0.0,,0.0,,,,,,
CCSc1nnc(NC(=O)c2csc3c2CCCC3)s1,CID1247777,,,,,,,,,,,,,,,0.0,,
Cc1nnc(NC(=O)c2csc3c2CCC(C)C3)s1,CID3158985,,,,,,,,,,,,,,0.0,,,
Cc1nnc(NC(=O)c2csc3c2CCCC3)s1,CID978275,,,,,,,,,,,,,,0.0,,,
COc1ccccc1N1CCN(S(=O)(=O)c2cnc[nH]2)CC1,CID5309722,,,,0.0,,,,,,,,,,,,,
Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2cnc[nH]2)CC1,CID5307520,0.0,,0.0,,,0.0,,,,,,,,,,,
Cc1cccc(N2CCN(S(=O)(=O)c3cnc[nH]3)CC2)c1C,CID5307514,0.0,0.0,,,,,,0.0,,,,,0.0,,,,
O=S(=O)(c1cnc[nH]1)N1CCN(c2ccccc2)CC1,CID11957294,,,,,,0.0,,,,,,,,,,,
COc1ccc(C/C(N)=N/OC(=O)c2cccc([N+](=O)[O-])c2)cc1,CID5348213,,,,,,0.0,,,,,,,,,0.0,,
COc1ccc(C(=O)O/N=C(\N)Cc2ccc(Cl)cc2)cc1OC,CID2862159,,,,,,,,,,,,,,0.0,,,
N/C(Cc1ccc(Cl)cc1)=N\OC(=O)c1ccccc1,CID5893661,,,,,,,,,,0.0,,,,,,,
N/C(Cc1ccc([N+](=O)[O-])cc1)=N\OC(=O)c1ccc([N+](=O)[O-])cc1,CID2869213,,,,,,,,,0.0,,,,,,,,
CCOC(=O)Cc1[nH]nc2c1C(C1C=CCCC1)C(C#N)=C(N)O2,CID660847,,0.0,0.0,,,,,0.0,,,,0.0,,,0.0,0.0,
COC(=O)Cc1[nH]nc2c1C(C1C=CCCC1)C(C#N)=C(N)O2,CID3242657,,,,,,,,,,,,,,,,0.0,
CC(C)(C)c1[nH]nc2c1C(C1C=CCCC1)C(C#N)=C(N)O2,CID2961886,,,,,,,,,0.0,,,,,,,,
COCc1[nH]nc2c1C(C1C=CCCC1)C(C#N)=C(N)O2,CID2961887,,,0.0,,,,,,,,,,,0.0,,0.0,
Nc1c(C(=O)NCc2ccco2)c2nc3ccccc3nc2n1Cc1ccc(F)cc1,CID660845,,,0.0,,,,0.0,,,,,0.0,0.0,,,,
COc1ccc(Cn2c(N)c(C(=O)NCc3ccco3)c3nc4ccccc4nc32)cc1,CID2426783,,0.0,0.0,,,,,,,,0.0,,0.0,,,0.0,0.0
COc1cc(Cn2c(N)c(C(=O)NCc3ccco3)c3nc4ccccc4nc32)cc(OC)c1OC,CID2014045,,,,,,,,,,,0.0,,,,,,
COc1ccc(Cn2c(N)c(C(=O)NCc3ccco3)c3nc4ccccc4nc32)cc1OC,CID664512,,,0.0,,,,,,0.0,,,,0.0,,,0.0,0.0
CC(C)=C1SC(N2CCN(c3cccc(C)c3)CC2)=NC1=O,CID775545,,,,,,,,,,,0.0,,,,,,
CC(C)=C1SC(N2CCN(c3cccc(Cl)c3)CC2)=NC1=O,CID885087,,,,,,,,,,,,,,,0.0,,
CC(C)=C1SC(N2CCN(c3ccc(Cl)cc3)CC2)=NC1=O,CID884205,,,,,,,,,,,,,,,0.0,,
CC(C)=C1SC(N2CCN(c3ccc(C)cc3)CC2)=NC1=O,CID705767,,,,,,,,,,,0.0,,,,,,
O=C(CN1CCN(Cc2ccccc2F)C1=O)NCc1cccs1,CID3236197,,,,,,,0.0,0.0,,,,,,,,,
O=C(CN1CCN(Cc2ccc(F)cc2)C1=O)NCc1cccs1,CID4205526,,0.0,,,,,,,,,,,,,,,
O=C(CN1CCN(Cc2ccccc2)C1=O)NCc1cccs1,CID4522322,,,,,,0.0,,,,,,,,,,,
Cc1cccc(CN2CCN(CC(=O)NCc3cccs3)C2=O)c1,CID3575746,,,,,,,,,,,0.0,,,0.0,,,
CCC(Sc1nnnn1C)C(=O)Nc1nccs1,CID2953421,,0.0,,,,,,,,,,,0.0,,,,
CCOC(=O)c1csc(NC(=O)CSc2nnnn2CC)n1,CID648413,,,,,,,,,,,,,,,,0.0,
COCCCn1nnnc1SCC(=O)Nc1nc(C)c(C)s1,CID646065,,,,0.0,,,,,,,,,,,,,
Cc1nc(NC(=O)CSc2nnnn2C)sc1C,CID1452213,,,,,,,,,,,0.0,,,,,,
COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCCC4)cc3n2)cc1,CID1111004,,,,,0.0,,,,,,,,,,,,
O=C(c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1)N1CCCC1,CID1124527,,,,,0.0,,,,0.0,,,,,,,,
Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCCC4)cc3n2)cc1,CID1349870,,,,,0.0,,,,,,,,,,,,0.0
O=C(c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1)N1CCCC1,CID647582,,,,,0.0,,,,,,,,,,,,0.0
Cc1sc2ccccc2[n+]1CCC(C)S(=O)(=O)[O-],CID112609,,,,,,,,,,,,,,0.0,,,
Cc1ccc2sc(C)[n+](CCC(C)S(=O)(=O)[O-])c2c1,CID2841565,,,,,,,,,,,,,,,0.0,,
CCO/C(=C/c1sc2ccc(OC)cc2[n+]1CCCS(=O)(=O)[O-])CC,CID1626614,,,,,,,,,,0.0,,,,,,,
Cc1ccc2c(c1)sc(C)[n+]2CCCS(=O)(=O)[O-],CID2827568,,,,,,,,,,,,,,0.0,,,
CCOc1cccc(NC(=O)/C(C#N)=C\c2cccnc2)c1,CID2208666,,,,,,,,,,,,,,,0.0,,
N#C/C(=C\c1cccnc1)C(=O)Nc1ccccc1,CID775040,,,,,,,,,,,,,,0.0,,,
Cc1cccc(NC(=O)/C(C#N)=C\c2cccnc2)c1,CID2208169,,,,,,,,,,,,,,,0.0,,
Cc1ccccc1NC(=O)/C(C#N)=C\c1cccnc1,CID2213353,,,,,,,,,,,,,,,0.0,,
CN(C)C(=O)N1CCC(C(=O)NCC2CCCO2)CC1,CID3240179,,0.0,,0.0,,,,0.0,0.0,,,,0.0,,,,
CCCS(=O)(=O)N1CCC(C(=O)NCC2CCCO2)CC1,CID3240403,,,0.0,,,,,0.0,,,,,,,,0.0,0.0
CCS(=O)(=O)N1CCC(C(=O)NCC2CCCO2)CC1,CID3236502,,,0.0,,,,,0.0,,,,,,,,,0.0
CS(=O)(=O)N1CCC(C(=O)NCC2CCCO2)CC1,CID2942924,,0.0,0.0,,,,,,,,,,0.0,,,,
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCc1ccco1,CID660013,0.0,,,,,0.0,,,,,,,,,,0.0,
Cc1onc(-c2ccccc2)c1C(=O)NCc1ccco1,CID822408,0.0,,,,,0.0,,0.0,,,,0.0,,,0.0,,
Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccco1,CID732372,0.0,0.0,0.0,0.0,,,0.0,,,,,,,0.0,0.0,,0.0
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccco1,CID876327,,0.0,,0.0,,,,,,,,,,,,0.0,0.0
O=C(COc1ccccc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1,CID1010129,,,0.0,0.0,,,0.0,,,0.0,,,,,,0.0,
COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1,CID646975,,,,,,,,,,0.0,,,0.0,0.0,,0.0,
CCC(Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1,CID2948110,,,,,,,,,,0.0,,,,,,,
CC(Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1,CID2915307,,,,,,0.0,,,,0.0,0.0,,,,,,0.0
COc1cc(N/C=C2\C(=O)Nc3ccccc32)cc(OC)c1OC,CID5310791,,,,,,,,,,,,1.0,,,,,
COc1ccc(OC)c(N/C=C2\C(=O)Nc3ccccc32)c1,CID5771305,,,,,,,,0.0,,,,,,,,,
COc1ccc(N/C=C2\C(=O)Nc3ccccc32)cc1OC,CID5771508,0.0,,,,,,,,,,,,,,,,
COc1ccc(N/C=C2\C(=O)Nc3ccccc32)cc1,CID5657027,,,,,,0.0,,,,,,1.0,,,,,
Cc1cc(C)cc(NC(=O)c2ccc(CSc3nnc(C)s3)cc2)c1,CID980260,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC(=O)c2ccc(CSc3nnc(C)s3)cc2)cc1,CID980259,,,,,,,,,,,,,,0.0,,,
CC(=O)Nc1nnc(SCc2ccc(C(=O)Nc3ccccc3F)cc2)s1,CID1292135,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC(=O)c2ccc(CSc3nnc(C)s3)cc2)c(C)c1,CID4044167,,,,,,0.0,,,,,,,,,,,
CCCn1c(SCC(=O)c2ccc3c(c2)OCCO3)nnc1-c1ccco1,CID649270,0.0,0.0,,0.0,0.0,,0.0,,,,,,0.0,,,,0.0
CCCCn1c(SCC(=O)c2ccc3c(c2)OCCO3)nnc1-c1ccco1,CID646139,,,0.0,,0.0,,,,,,,,0.0,0.0,,,
CCn1c(SCC(=O)c2ccc3c(c2)OCCO3)nnc1-c1ccco1,CID654342,0.0,,,,,,,0.0,,,,,,0.0,,,0.0
COCCn1c(SCC(=O)c2ccc3c(c2)OCCO3)nnc1-c1ccco1,CID653201,,,0.0,,,,,0.0,,,,,0.0,,,0.0,0.0
O=C(COC(=O)c1ccco1)Nc1nc2ccccc2s1,CID649275,,,,,,,,,,,,,,0.0,,,0.0
Cc1ccc2nc(NC(=O)COC(=O)c3ccco3)sc2c1,CID652532,,0.0,,,,,0.0,,0.0,,,,,0.0,0.0,,
Cc1ccc2nc(NC(=O)COC(=O)c3ccc(Br)o3)sc2c1,CID1250236,,,,,,,,,0.0,,0.0,,,,,,
O=C(COC(=O)c1ccc(Br)o1)Nc1nc2ccccc2s1,CID1136482,0.0,,,,,,,,0.0,,,,,,,,
COc1ccc(CN(Cc2cc3ccc(C)cc3[nH]c2=O)Cc2nnnn2C2CCCC2)cc1,CID649279,,,0.0,,,,,,,0.0,0.0,,0.0,,,,0.0
Cc1ccc2cc(CN(Cc3ccccc3)Cc3nnnn3C3CCCC3)c(=O)[nH]c2c1,CID652476,,,,,,,,,,0.0,,,,,,,0.0
Cc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)Cc3nnnn3C3CCCC3)cc2c1,CID653073,,,,,,,0.0,,,0.0,,,,,,,0.0
Cc1ccc2cc(CN(Cc3ccc(F)cc3)Cc3nnnn3C3CCCC3)c(=O)[nH]c2c1,CID650129,,,,,,,,,,,,,,,0.0,,0.0
CCOC(=O)c1cc(C)[nH]c(=S)c1C#N,CID723622,,,,0.0,0.0,,,0.0,,,0.0,,0.0,,,,
COCc1cc(C)c(C#N)c(=S)[nH]1,CID684366,,,,0.0,,,,,,,,,0.0,,,,
C=CCc1c(C)[nH]c(=S)c(C#N)c1C,CID657927,,,,,,,,,,0.0,,,,,,,
CCc1c(C)[nH]c(=S)c(C#N)c1C,CID658169,,,0.0,0.0,,,0.0,,,,,,0.0,,,,
CCOC(=O)C1CCN(C(c2cc3ccc(C)c(C)c3[nH]c2=O)c2nnnn2C2CCCCC2)CC1,CID649898,,,0.0,,,,,,,0.0,,0.0,,0.0,,,
CCOC(=O)C1CCN(C(c2cc3ccc(C)cc3[nH]c2=O)c2nnnn2C2CCCCC2)CC1,CID644546,,,0.0,,,,,,,,,0.0,0.0,,,,
CCOC(=O)C1CCN(C(c2cc3c(C)ccc(C)c3[nH]c2=O)c2nnnn2C2CCCCC2)CC1,CID645493,,,0.0,,,,,,,,,,,,,,
CCOC(=O)C1CCN(C(c2cc3cc(C)cc(C)c3[nH]c2=O)c2nnnn2C2CCCCC2)CC1,CID644737,,,,,,,,,,,,0.0,0.0,,,0.0,
Cc1ccc(-c2nnn(CC(=O)N(c3cccc(F)c3)C(C(=O)NC3CCCC3)c3ccco3)n2)o1,CID649891,,,,,,,,,,0.0,,,,,,,
Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3F)C(C(=O)NC3CCCC3)c3ccco3)n2)o1,CID654931,,,,,,,,,,0.0,,,,,,,
Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3)C(C(=O)NC3CCCC3)c3ccco3)n2)o1,CID655204,,,0.0,,,,,,,0.0,,,,,0.0,,0.0
Cc1ccc(N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)C(C(=O)NC2CCCC2)c2ccco2)cc1,CID648061,,,,,,,,,,0.0,0.0,,,,,0.0,
Cc1sc(NC(=S)NC(=O)c2cccs2)nc1-c1ccc(C(C)C)cc1,CID999210,,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2csc(NC(=S)NC(=O)c3cccs3)n2)cc1OC,CID2365274,,,,,,,,,,,,,,0.0,0.0,,
O=C(NC(=S)Nc1nc(-c2ccccc2)cs1)c1cccs1,CID739039,,,,,,,,,,,,,,0.0,,,
O=C(NC(=S)Nc1nc(-c2ccc(Cl)cc2)cs1)c1cccs1,CID1342967,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(N2CC(C(=O)OCC(=O)c3cccc(OC)c3)CC2=O)cc1,CID654046,,,0.0,,,0.0,,0.0,,0.0,,,,,0.0,,
COc1cccc(N2CC(C(=O)OC(C)C(=O)c3ccccc3)CC2=O)c1,CID651278,,,,,,,0.0,,,,,,,,,,0.0
COc1ccc(N2CC(C(=O)OCC(=O)c3ccccc3)CC2=O)cc1,CID2918542,,,,,,,,,0.0,,,,,,,,
O=C(COC(=O)C1CC(=O)N(c2ccccc2)C1)c1ccccc1,CID2926611,,,0.0,,,,0.0,,,,,,0.0,,,,
CCOC(=O)CN1CC23C=CC(O2)C(C(=O)NCc2ccc(F)cc2)C3C1=O,CID5307639,,,,,,,,,,,,,0.0,,,,
C=CCN1C(=O)C2C(C(=O)NCc3ccccc3)C3(C)C=CC2(O3)C1C(=O)NC(C)(C)C,CID648478,,,,,,,,,,,,,0.0,,,0.0,
CC(C)N1C(=O)C2C(C(=O)NCc3ccccc3)C3C=CC2(O3)C1C(=O)NC(C)(C)C,CID646943,,,,,,,,,,,,,,,,,0.0
CCOC(=O)CN1CC23C=CC(O2)C(C(=O)NCc2ccc(C)cc2)C3C1=O,CID5309435,,,,,,,0.0,0.0,,,,,,,,,
O=C(CSc1ncc(-c2ccccc2)[nH]1)Nc1ccc(F)cc1,CID823643,,,,,,0.0,,,,,,,,,,,
O=C(CSc1ncc(-c2ccccc2)[nH]1)Nc1cccc(O)c1,CID1155342,,,,,,0.0,,,,,,,,,,,
O=C(CSc1ncc(-c2ccccc2)[nH]1)Nc1ccccc1,CID2222837,,,,,,,,,,0.0,,,,,,,
O=C(CSc1ncc(-c2ccc(F)cc2)[nH]1)Nc1cccc(O)c1,CID654115,,,,,,,0.0,,,0.0,,,,,,,
CC(=O)Nc1ccc(NC(=O)c2ccccc2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1,CID1310538,,,,,,,,,,,,,,,0.0,,
COc1ccccc1NC(=O)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-],CID1310001,,,,,,,,,,,,,,0.0,,,
O=C(Nc1ccccc1Cl)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-],CID1309962,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccc(F)cc1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-],CID1310552,,,,,,,,,,,,,,0.0,,,
COc1ccccc1-c1noc(-c2ccncc2)n1,CID1872802,0.0,,,0.0,,,,,,,,,,,0.0,0.0,
CCOc1cc(-c2noc(-c3ccncc3)n2)cc(Br)c1OC,CID667087,0.0,,,,,,,,0.0,,0.0,,,,0.0,0.0,0.0
COc1ccc(Br)cc1-c1noc(-c2ccncc2)n1,CID1945308,0.0,,,,,,,,0.0,,0.0,0.0,,,0.0,,0.0
CCOc1ccc(-c2noc(-c3ccncc3)n2)cc1OCC,CID666359,,0.0,0.0,,,,0.0,,,,0.0,,,0.0,,,
CCS(=O)(=O)N1CCC(C(=O)N2CCOCC2)CC1,CID3237970,,,,,,,,,,,,,,0.0,,,
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCOCC2)CC1,CID3238778,,,0.0,0.0,,,0.0,,,,,,,,,,
CS(=O)(=O)N1CCC(C(=O)N2CCOCC2)CC1,CID647201,,0.0,,,,,,,,,,,0.0,,,,
CCCS(=O)(=O)N1CCC(C(=O)N2CCOCC2)CC1,CID3236065,,,,,,,,0.0,,,,,,,,0.0,
O=C(Nc1ccc(Cl)cc1F)C1CCN(S(=O)(=O)c2cccnc2)CC1,CID3237979,,0.0,0.0,,0.0,,0.0,,,,,0.0,,,,,
COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)cc1Cl,CID5309136,0.0,,,,,,,,,,,,,,,,
CCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)cc1,CID9551061,,,,,,0.0,,,,0.0,,,,,,,
COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)cc(OC)c1OC,CID3244993,,,0.0,,0.0,,,,,,0.0,,,,,0.0,0.0
CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1,CID2953497,0.0,,,,,,,,,,,,,,,,
O=C(COc1ccc(Cl)cc1)Nc1ccc2oc(-c3ccncc3)nc2c1,CID645029,0.0,0.0,,,,,0.0,,,,,,,,,,
Cc1cc(OCC(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)ccc1Cl,CID662539,0.0,0.0,0.0,0.0,,,0.0,,,,,,0.0,0.0,,,0.0
CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1,CID1256741,0.0,,,,,,,,,,,,0.0,,,0.0,0.0
CCCc1cc(C(=O)NCc2ccco2)no1,CID5307986,,,,,,,,0.0,,,,,,,,,
CC(C)c1cc(C(=O)NCc2ccco2)no1,CID5309360,,0.0,,,,,,,,,,,0.0,,,,
CC(C)Cc1cc(C(=O)NCc2ccco2)no1,CID5308926,,,,0.0,,,,,,,,,,,,,
Cc1cc(C(=O)NCc2ccco2)no1,CID1246336,,,,,,,,,0.0,,,,,,,,
CCOC(=O)CC(=O)CSc1nc(=O)c2sc(=S)n(-c3ccccc3)c2[nH]1,CID3239370,,,,,0.0,,,,0.0,,,,,,,,
CCOC(=O)c1ccc(-n2c(=S)sc3c(=O)nc(C)[nH]c32)cc1,CID3245713,,0.0,,,,,,,,,,,0.0,,,,
O=c1nc[nH]c2c1sc(=S)n2-c1ccccc1,CID373687,0.0,0.0,0.0,,,,0.0,,0.0,0.0,,,0.0,0.0,,,
CCOc1ccc(-n2c(=S)sc3c(=O)nc(SCC(=O)NC(C)CC)[nH]c32)cc1,CID3491204,,,,,,,,,,,0.0,0.0,,,,,
CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2c1CCN(C)C2,CID3244654,,,,,0.0,0.0,,,,,,,,,,0.0,
CC1CN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CCN(C)C4)cc2)CC(C)O1,CID3649326,,,0.0,,,,,,,,,,0.0,,,,
CC(C)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2C#N)C1,CID3438869,,0.0,,,0.0,,,,,,,,,,0.0,,
CC(C)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2C(N)=O)C1,CID4165356,,0.0,,,,,,,,,,,0.0,,,,
CN(CC(=O)Nc1ccncc1)S(=O)(=O)c1ccccc1,CID2219871,,0.0,0.0,0.0,0.0,,,0.0,,0.0,,0.0,0.0,,,0.0,
CN(CC(=O)Nc1ccncc1)S(=O)(=O)c1ccc(Br)cc1,CID1256095,,,,,,,,,,,0.0,,,0.0,,,
Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccncc2)cc1,CID925202,,0.0,,,0.0,,0.0,0.0,0.0,0.0,,,0.0,0.0,,0.0,
CN(CC(=O)Nc1ccncc1)S(=O)(=O)c1ccc(Cl)cc1,CID973292,,0.0,0.0,0.0,,,,,,,,,0.0,,,,0.0
CCC/C(NCc1ccccc1)=C1/C(=O)CC(C)(C)C(C(=O)OC)C1=O,CID2834739,,,,,,,,,0.0,,,0.0,,,,,
COc1ccc(CNC=C2C(=O)CC(C)(C)CC2=O)cc1,CID774175,0.0,,,,0.0,,0.0,0.0,,0.0,,0.0,,,,,
CC/C(NCc1ccccc1)=C1/C(=O)CC(C)(C)C(C(=O)OC)C1=O,CID3116055,,0.0,0.0,0.0,,,0.0,,,,,0.0,0.0,,,,
COc1cccc(CNC=C2C(=O)CC(C)(C)CC2=O)c1OC,CID868604,0.0,,,,0.0,,,0.0,,,,,,,,0.0,0.0
COc1ccc(OCc2nnc(SC(C)C(=O)Nc3nccs3)n2-c2ccccc2)cc1,CID2961202,,0.0,,,,,0.0,,,0.0,0.0,0.0,,,,0.0,
Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2nccs2)n1-c1ccccc1,CID1296765,,,0.0,0.0,,,,,,,,,,,,0.0,
Cc1ccc(-n2c(COc3c(C)cccc3C)nnc2SCC(=O)Nc2nccs2)cc1,CID1250175,,,,,,0.0,,,,,,0.0,,,,,
Cc1ccc(OCc2nnc(SCC(=O)Nc3nccs3)n2-c2ccccc2)cc1C,CID1257553,,,,,,,,,,,,0.0,,,,,
Cc1ccc(O)c(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)c1,CID731393,,,,,,,,,,,,,,0.0,,,
O=C1C=C(Nc2ccccc2)C(=O)N1Cc1ccccc1,CID869742,,,,,,0.0,,,,,,,,,,,
Cc1ccc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)cc1C,CID720415,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)cc1,CID1033987,,,,,,,,,,,,,,0.0,,,
CCC(=O)N1CCN(c2nc3ccccc3s2)CC1,CID700405,,,,,,,,,,0.0,,,,,,,
O=C(O)CCC(=O)N1CCN(c2nc3ccccc3s2)CC1,CID1258223,,,,0.0,,,0.0,,,,,,0.0,,,,0.0
CC(C)CNC(=S)N1CCN(c2nc3ccccc3s2)CC1,CID859024,,,,,,,,,,,,,,,0.0,,
CS(=O)(=O)N1CCN(c2nc3ccccc3s2)CC1,CID654656,0.0,,,0.0,,,,,,0.0,,,0.0,,,,
Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nnc(-c2ccc(Cl)cc2Cl)s1,CID4068910,,,,,,,,,,,,0.0,,,,,
Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nnc(-c2ccc(Br)cc2)s1,CID9551598,,,,,,,,,,,0.0,,,,,,
Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1,CID4086499,,,,,,,,,,,,0.0,,,,,
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1nnc(-c2ccccc2)s1,CID994873,,,,,,,,,,,0.0,,,0.0,,,
C=CCn1c(CCNC(=O)c2cccs2)nnc1SCC(=O)c1ccc(Br)cc1,CID2212788,,,,,,,,,,,0.0,,,,,,
C=CCn1c(CCNC(=O)c2cccs2)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1,CID2231941,,,,,,,,,,,,0.0,,,,,
CCn1c(CCNC(=O)c2cccs2)nnc1SCC(=O)c1ccc(OC)cc1,CID1299132,,,0.0,0.0,,,0.0,,,,,,0.0,,,0.0,
C=CCn1c(CCNC(=O)c2cccs2)nnc1SCC(=O)c1ccc(Cl)cc1,CID2233849,,,,,,,,,0.0,,,,,,,,
CSc1nc(C)nc2c1c(=O)n(C)c(=O)n2C,CID4453920,,,,,,,0.0,,,,,,,,,,
Cn1c(=O)c2c(SCC(N)=O)nc(CC(C)(C)C)nc2n(C)c1=O,CID5310562,,,,,,,,,,,,,0.0,,,,0.0
CCC(C)Sc1nc(C)nc2c1c(=O)n(C)c(=O)n2C,CID4524313,,,0.0,,,,0.0,,,,,,,,,,
CCc1nc(SCC(N)=O)c2c(=O)n(C)c(=O)n(C)c2n1,CID5310228,,0.0,,,,,,,,0.0,,,,,,,
O=c1oc(-c2ccc(Br)o2)nc2ccccc12,CID1254875,,,,,,,,,,,,1.0,,,,,
Cc1ccc2nc(-c3ccc(Br)o3)oc(=O)c2c1,CID2231188,,,,,,,,,0.0,,0.0,,,,,,
O=c1oc(-c2ccco2)nc2ccccc12,CID296003,,,,,,0.0,,0.0,0.0,0.0,,,1.0,,,0.0,
COc1cc2nc(-c3ccc(Br)o3)oc(=O)c2cc1OC,CID1026525,,,,,,,,,,,,,,,0.0,,0.0
C/C(=N\Oc1nc(C)cc(C)n1)c1ccc(Cl)cc1Cl,CID3806009,,,,,,,,,,0.0,,,,,,,
C/C(=N\Oc1nc(C)cc(C)n1)c1ccc(F)cc1,CID1483065,,,,,,0.0,,,,,,0.0,,,,,
C/C(=N\Oc1nc(C)cc(C)n1)c1ccccc1,CID1409763,,,,,,,,,,,,,,,0.0,,
C/C(=N\Oc1nc(C)cc(C)n1)c1ccc(Br)cc1,CID915406,,,,,,,,,0.0,,0.0,0.0,,,,,
O=C(NC1CCCCC1)C(c1ccc(Cl)cc1)N1CCC2(CC1)OCCO2,CID4594941,,,,,,0.0,,,,0.0,,,,,,,
COc1ccc(C(C(=O)NC2CCCCC2)N2CCC3(CC2)OCCO3)cc1,CID3236145,,,,,,,,0.0,,,,0.0,,,,,0.0
O=C(NC1CCCCC1)C(c1ccccc1)N1CCC2(CC1)OCCO2,CID3245900,,,,,,,,,,,,,0.0,,,,
Cc1ccc(C(C(=O)NC2CCCCC2)N2CCC3(CC2)OCCO3)cc1,CID4594938,,,,,,,,,,,0.0,,,,,,
Cc1ccc(SC(C)c2nc(-c3ccccc3)no2)cc1,CID2977853,,,,0.0,,,,,,,,,,,,0.0,
Cc1ccc(SCc2nc(-c3ccccc3)no2)cc1,CID974709,,0.0,,,,,,,,,,,,0.0,,0.0,
COc1ccc(-c2noc(CSc3ccccc3)n2)cc1OC,CID654225,,,0.0,,,0.0,,,,,,,0.0,,,,
COc1ccc(-c2noc(CSc3ccc(C)cc3)n2)cc1,CID974710,,,,,,0.0,,,,,,,,0.0,,,
COc1ccc(C(=O)SC2=NCCS2)cc1,CID737532,,,,,,,,,,0.0,,0.0,,0.0,,,
COc1ccc(C(=O)SC2=NCCS2)cc1OC,CID737547,,,0.0,,,0.0,0.0,,,0.0,,,,0.0,0.0,,
Cc1ccc(C(=O)SC2=NCCS2)cc1,CID741823,,,,,,,,,,0.0,,,,,,,
COc1cccc(C(=O)SC2=NCCS2)c1,CID651206,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)o2)c1,CID647708,,,0.0,,0.0,,0.0,,,0.0,0.0,,0.0,,,,0.0
Cc1cccc(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)o2)c1,CID648364,,,0.0,,0.0,0.0,,,,0.0,0.0,0.0,,,,0.0,0.0
Cc1ccc(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)o2)cc1C,CID650562,,,,0.0,,,,,,0.0,,,,,,0.0,0.0
CC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)o2)c1,CID648484,,,0.0,0.0,0.0,,,,,,,,,,,0.0,0.0
COc1ccc(-c2c(C#N)c(N)nc3c2CCCC3)cc1OC,CID754209,,0.0,,,,,,,,,,0.0,,,,0.0,
N#Cc1c(N)nc2c(c1-c1ccccc1)CCCC2,CID754150,,,,0.0,,,0.0,0.0,,,,,,,,,
COc1cc(-c2c(C#N)c(N)nc3c2CCCC3)cc(OC)c1OC,CID662688,0.0,,0.0,,,,,,0.0,,,0.0,0.0,,,,
CSc1ccc(-c2c(C#N)c(N)nc3c2CCCC3)cc1,CID662999,,,,,,,,,,,,,,,,0.0,0.0
COc1cc(N2CCCC2)c(OC)cc1/C=C(/C#N)c1ccc(Br)cc1,CID2192212,,,,,,,,,0.0,,0.0,0.0,,,,,
COc1cc(N2CCCC2)c(OC)cc1/C=C(/C#N)c1cccc(F)c1,CID2226950,,,,,,,,,,,0.0,0.0,,,,,
COc1cc(N2CCCC2)c(OC)cc1/C=C(/C#N)c1cccc(Br)c1,CID2193419,,,,,,,,,0.0,,0.0,,,,,,
COc1cc(N2CCCC2)c(OC)cc1/C=C(/C#N)c1ccc(F)cc1,CID1090904,,,,,,,,,,,,0.0,,,,,
CCOc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n(C)c(=O)n4C)n3CC)sc2c1,CID651017,,,,,,,,,,,,,0.0,,,0.0,
CCOc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n(C)c(=O)n4C)n3C(C)C)sc2c1,CID647890,,0.0,,,,,,,0.0,,,,0.0,,,,
CCCn1c(SCC(=O)Nc2nc3ccccc3s2)nc2c1c(=O)n(C)c(=O)n2C,CID3188049,,,,,,,,,,,,0.0,,,,,
CCn1c(SCC(=O)Nc2nc3ccc(OC)cc3s2)nc2c1c(=O)n(C)c(=O)n2C,CID655194,,0.0,,0.0,,,0.0,,,,,,,,,0.0,0.0
Cc1cc(C(F)(F)F)nc(SCC(=O)Nc2cc(C)on2)n1,CID610015,,0.0,,,,,,,,,,,,,,,0.0
CCC(Sc1ncccn1)C(=O)Nc1cc(C)on1,CID2930135,,,,,,,,,0.0,0.0,0.0,,,,,,
Cc1cc(NC(=O)CSc2ncccn2)no1,CID580624,,,,,,,,,,0.0,,0.0,,,,,
Cc1cc(C)nc(SCC(=O)Nc2cc(C)on2)n1,CID677170,,0.0,0.0,,,,,,0.0,0.0,0.0,,0.0,,,0.0,
Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCOCC2)cc1,CID883452,,,,,,0.0,,,,,,,0.0,,,,
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCOCC2)cc1,CID2333583,0.0,,,0.0,,,,,0.0,0.0,0.0,,,,,,0.0
O=C(c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)N1CCOCC1,CID1340783,,,,0.0,,,,,,,,,,,,,
O=C(c1cn(-c2ccccc2)nc1-c1ccccc1)N1CCOCC1,CID744570,0.0,0.0,,,,0.0,,,,,0.0,,,,,,0.0
COc1cccc2cc(C(C)N(CCCN3CCOCC3)C(=O)Nc3ccc(Cl)cc3)oc12,CID3238754,0.0,0.0,,,,0.0,,,,,,,,,,,
COc1cccc2cc(C(C)N(CCCN3CCOCC3)C(=O)Nc3ccccc3)oc12,CID3245445,0.0,0.0,,,,,,,,,,0.0,,,,,
COc1cccc(NC(=O)N(CCCN2CCOCC2)C(C)c2cc3cccc(OC)c3o2)c1,CID3244731,,0.0,0.0,,,,,,,,,,,,,,
CCc1ccc(NC(=O)N(CCCN2CCOCC2)C(C)c2cc3cccc(OC)c3o2)cc1,CID3239477,,,,,,,,,,,0.0,0.0,0.0,,,,0.0
O=C(Nc1ccc(Cl)cc1)N(Cc1cccnc1)Cc1ccco1,CID3238750,0.0,,,0.0,,,,,,,,,0.0,,,0.0,0.0
Cc1ccc(NC(=O)N(Cc2cccnc2)Cc2ccco2)cc1C,CID3376944,,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccc(Cl)c(Cl)c1)N(Cc1cccnc1)Cc1ccco1,CID3236637,0.0,,,,,,,,,,,,,,,,
O=C(Nc1ccccc1)N(Cc1cccnc1)Cc1ccco1,CID3237341,0.0,0.0,,,,,,,,,,0.0,0.0,,,,
Cc1nnc(SCC(=O)N2CC(=O)Nc3ccccc32)n1-c1ccccc1,CID2109473,,,,,0.0,0.0,,0.0,,,0.0,,0.0,,,,
COc1ccccc1-n1cnnc1SCC(=O)N1CC(=O)Nc2ccccc21,CID2089223,,,,,,,,,,,0.0,,,,,,
O=C1CN(C(=O)CSc2nncn2-c2ccccc2)c2ccccc2N1,CID2998671,,,,,0.0,0.0,,,,,,,,,,0.0,
Cc1ccccc1-n1c(C)nnc1SCC(=O)N1CC(=O)Nc2ccccc21,CID2543646,0.0,,,,0.0,0.0,0.0,0.0,,,,,0.0,,,,
CCc1cc(=O)oc2cc(OCC(=O)N3CCc4ccccc43)ccc12,CID2695565,0.0,,,,,,,0.0,,,,,,,,0.0,
CCCc1cc(=O)oc2cc(OCC(=O)N3CCc4ccccc43)ccc12,CID1079186,,,,,,,,,,,,,,0.0,,,
O=C(COc1ccc2ccc(=O)oc2c1)N1CCc2ccccc21,CID2489585,,,,,,,,,,,,,,,0.0,,
Cc1cc(=O)oc2cc(OCC(=O)N3c4ccccc4CC3C)ccc12,CID2999819,,,,,,,,,,,,,0.0,,,,
c1ccc2c(N3CCCCC3)nc(-c3ccncc3)nc2c1,CID820815,,,,,,0.0,,,,,,,,,,,
CC1CCN(c2nc(-c3ccncc3)nc3ccccc23)CC1,CID710947,,,0.0,0.0,,0.0,,,,,,0.0,,,,,
CCC1CCCCN1c1nc(-c2ccncc2)nc2ccccc12,CID663315,,1.0,,0.0,,,0.0,,,0.0,,,,,,,
CC1CCCCN1c1nc(-c2ccncc2)nc2ccccc12,CID659902,,,0.0,0.0,,,,0.0,,,0.0,,,,,,
O=C(/C=C/NNC(=O)c1ccccc1)c1ccccc1,CID2244705,,,,,,,,,,0.0,,0.0,,,,,
O=C(/C=C/NNC(=O)c1ccccc1)c1ccc(Br)cc1,CID2244770,,,,,,,,,0.0,,0.0,0.0,,,0.0,,
O=C(/C=C/NNC(=O)c1cccc(Br)c1)c1ccccc1,CID2244702,,,,,,,,,0.0,,0.0,,,,,,
O=C(/C=C/NNC(=O)c1ccc(Br)cc1)c1ccccc1,CID2244708,,,,,,,,,0.0,,0.0,,,,0.0,,
Cc1cc(NC(=O)c2ccc(Br)c(S(=O)(=O)N3CCCC3)c2)no1,CID1294383,0.0,,,,,,,,0.0,,,,,0.0,,,0.0
Cc1ccc(C(=O)Nc2ccon2)cc1S(=O)(=O)N1CCCC1,CID974221,,,,,,,,,0.0,,0.0,,,0.0,,,
Cc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)no1,CID1087733,,,,,,,,0.0,,,0.0,,,,,0.0,0.0
O=C(Nc1ccon1)c1cccc(S(=O)(=O)N2CCCC2)c1,CID972842,0.0,0.0,,,,,0.0,0.0,,,,0.0,0.0,0.0,,,0.0
Cc1cc2nnc(SCC(=O)N3CCN(c4ccccc4)CC3)n2c(N)n1,CID1434183,,,,,,,,,,0.0,0.0,,,,0.0,,
CCc1c(C)nc(N)n2c(SCC(=O)N3CCN(c4ccccc4)CC3)nnc12,CID648735,,0.0,,,0.0,,,,,,,,,,,,
CCc1c(C)nc(N)n2c(SCC(=O)N3CCN(c4ccccc4F)CC3)nnc12,CID656105,,0.0,,0.0,0.0,,0.0,,,,,,0.0,,,,
CCc1c(C)nc(N)n2c(SCC(=O)N3CCN(c4ccccc4OC)CC3)nnc12,CID645630,,,,,0.0,,,,,,0.0,,0.0,,,,
O=C(O)CCCCCN1C(=O)CCC1=O,CID303580,,0.0,,,,,,,,,0.0,,,,,,
CCC1(C)CC(=O)NC1=O,CID3291,,,,,,,,0.0,,,,,,,,,
COC(=O)C(C(=O)OC)N1C(=O)CCC1=O,CID2210662,,,,,,,,0.0,,,,,,,,,
COCCNC(=O)CCCCCN1C(=O)CCC1=O,CID2219849,,,0.0,,,,,,,,,,0.0,,,,
Cc1ccc(C(=O)c2c(C)oc3c2C(=O)C(=O)c2ccccc2-3)cc1,CID3696529,,,,,,,,,,0.0,,,,,,,
O=C1C(=O)c2c(C(=O)c3ccccc3)coc2-c2ccccc21,CID1895639,,,,,,,,,0.0,,,,,0.0,,,
Cc1oc2c(c1C(=O)c1ccccc1)C(=O)C(=O)c1ccccc1-2,CID3816369,,,,,,,,,,,0.0,,,,,,
Cc1ccc(C(=O)c2coc3c2C(=O)C(=O)c2ccccc2-3)cc1,CID1736341,,,,,,0.0,,,0.0,,0.0,,,0.0,0.0,,
Cc1ccc(N2CC(C(=O)Nc3ccc(S(=O)(=O)Nc4nccc(C)n4)cc3)CC2=O)cc1,CID2963159,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C3CC(=O)N(c4ccccc4)C3)cc2)n1,CID2911992,,,,,,,,,,,0.0,,,,,,0.0
COc1ccc(N2CC(C(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)CC2=O)cc1,CID2912359,,,0.0,,,,,0.0,,,,,,,,0.0,
CCOc1ccc(N2CC(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)CC2=O)cc1,CID4835727,,,,,,,,,,,,0.0,,,,,
COC(=O)C(Cc1ccc(O)cc1)NC(=O)C(C)Oc1ccccc1,CID2961794,,,,,0.0,,0.0,,,,,,0.0,,0.0,,0.0
N#Cc1ccc(OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1,CID2420689,,,,,,,,0.0,0.0,0.0,,,0.0,,,,
COc1ccc(C(CNC(=O)COc2ccccc2OC)N(C)C)cc1OC,CID2998274,,,,,,,,,,,,0.0,0.0,,,,
COc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2Cl)cc1OC,CID2968274,,,,,,,,,,,,,,,0.0,,
COc1ccc(CC(=O)OCC(=O)Nc2ccc(Cl)cn2)cc1,CID2128296,,,,,,,,,,0.0,,,,,,,
COc1cc(CC(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc(OC)c1OC,CID2374508,0.0,,,,,,0.0,,,,,,0.0,,,,
O=C(COC(=O)Cc1ccccc1F)Nc1ccc(Cl)cn1,CID2487222,,,,,,,,,,,,,,0.0,,,
COc1ccc(CC(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc1,CID2375568,0.0,,,,,,,,,,,,,,,,
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc(C(=O)O)cc2)o1,CID5345736,,,,,,0.0,,,,,,,,,,,
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)o1,CID1947928,,,,,,0.0,,,,,,,,,,,
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc(-c2cccc(C(=O)O)c2)o1,CID5345845,,,,,,0.0,,,,,,,,,,,
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1,CID1422430,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C)c(N(CC(=O)NCCC2=CCCCC2)S(C)(=O)=O)c1,CID2177751,,,,,,0.0,,,,,,0.0,,,,,
CC(=O)c1cccc(N(CC(=O)NCCC2=CCCCC2)S(C)(=O)=O)c1,CID2229879,,,,0.0,,,,,0.0,,,,,,,,
Cc1cccc(N(CC(=O)NCCC2=CCCCC2)S(C)(=O)=O)c1C,CID2175357,,,,,,,,,0.0,,,,,,,,
CS(=O)(=O)N(CC(=O)NCCC1=CCCCC1)c1cccc([N+](=O)[O-])c1,CID2174814,,,,,,,,,,,,,,,0.0,,
O=c1c2c(-c3cccs3)csc2ncn1-c1ccccc1,CID916217,,,,,,,,,,,0.0,,,,0.0,,
Cc1ccc(-n2cnc3scc(-c4cccs4)c3c2=O)cc1,CID828242,,,,,,,,,,0.0,,,,0.0,0.0,,
O=c1c2c(-c3cccs3)csc2ncn1-c1ccc(Br)cc1,CID1909422,,,,,,,,,0.0,,0.0,,,,,,
COc1cccc(-n2cnc3scc(-c4cccs4)c3c2=O)c1,CID899002,,0.0,0.0,,0.0,,0.0,,,0.0,0.0,,,0.0,,,
CC1CCCCC1NC1=NCCS1,CID3792463,,,,,,,,,,,0.0,,,,,,
CC1CCCCC1NC1=NC(C)(C)CS1,CID3813288,,,,,,,,,,,,,,,0.0,,
CC1(C)CN=C(NC2CCCCC2)S1,CID768206,,,,,0.0,,,,,,,,,0.0,,,
CC1CN=C(NC2CCCCC2C)S1,CID2999911,,,,0.0,,,,,,,,,,,,,
COc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCN(c4ncccn4)CC3)o2)cc1,CID3593667,,,,,,,0.0,0.0,,,0.0,,,,,,
Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N2CCN(c3ncccn3)CC2)o1,CID3239302,,,,,,,,,,,0.0,,,,,,0.0
O=C(c1ccc(CS(=O)(=O)c2ccccc2)o1)N1CCN(c2ncccn2)CC1,CID4132357,,,,,,,,,,,,,,,,,0.0
O=C(c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1)N1CCN(c2ncccn2)CC1,CID3593662,,,,,,,0.0,,,,,,,,,,
NC1=N/C(=N\c2ccccc2)c2ccccc21,CID705539,,,,,,,,,,0.0,,0.0,,,,0.0,
Cc1ccc(/N=C2\N=C(N)c3ccccc32)cc1C,CID705620,,,,,,,,,,,,0.0,,,,,
Cc1cccc(/N=C2\N=C(N)c3ccccc32)c1,CID2307963,,,,,,,,,,,,0.0,,,,,
Cc1ccc(/N=C2\N=C(N)c3ccccc32)c(C)c1,CID705582,,,,,,,,,,,,0.0,,,,,
Cc1ccc(-n2nnnc2SCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)cc1,CID2615834,,0.0,,,,0.0,,0.0,,,0.0,,,,,0.0,
O=C(CSc1nnnn1-c1ccc(Cl)cc1)NC(=O)Nc1ccc2c(c1)OCCO2,CID2610246,,,,,0.0,,,,0.0,,0.0,,0.0,,,,0.0
CCOc1ccccc1-n1nnnc1SCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2,CID2613966,,,,,,,,,,,,,,,0.0,,
O=C(CSc1nnnn1-c1ccccc1)NC(=O)Nc1ccc2c(c1)OCCO2,CID2621219,,0.0,,,,,,,,,0.0,,0.0,,,,
N#Cc1nc(-c2ccccc2F)oc1NCc1cccc2c1OCO2,CID892291,,,,0.0,,,,,,,,0.0,,,,,
N#Cc1nc(-c2ccc(Cl)cc2)oc1NCc1cccc2c1OCO2,CID1314610,0.0,,,0.0,,,0.0,,,,,0.0,,,,0.0,
N#Cc1nc(-c2ccc(F)cc2)oc1NCc1cccc2c1OCO2,CID4197229,,,,,,,,,,,,,,,0.0,0.0,
Cc1ccc(-c2nc(C#N)c(NCc3cccc4c3OCO4)o2)cc1,CID892015,0.0,,0.0,,,,0.0,0.0,,,,,,,,,0.0
CCOC(=O)CSc1nc(C)cc(Oc2ccc(=O)n(C)n2)n1,CID936064,,0.0,,,,,0.0,,,,,,,,,0.0,0.0
CCSc1nc(C)cc(Oc2ccc(=O)n(C)n2)n1,CID662406,,0.0,,,,,,,,0.0,0.0,,,,,,
CSc1nc(C)cc(Oc2ccc(=O)n(C)n2)n1,CID709439,,,,,,,,,,,,,,,,0.0,
CSc1nc(C)cc(Oc2ccc(=O)[nH]n2)n1,CID709436,,,,,,,,,,,,,,,0.0,,
COc1ccc(NC(=O)N2CCC(c3ccccc3)C2)c(OC)c1,CID5155350,,,,,,,,,,,,,0.0,,,,
CC(=O)c1cccc(NC(=O)N2CCC(c3ccc(C)cc3)C2)c1,CID3412462,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC(=O)N2CCC(c3ccccc3)C2)cc1C,CID5065354,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C2CCN(C(=O)Nc3ccccc3)C2)cc1,CID3244727,0.0,0.0,,,,,,0.0,,,,,,,,0.0,0.0
COc1ccc(C(=O)CSc2nnc(COc3ccccc3)n2Cc2ccco2)cc1,CID667305,0.0,,,,0.0,0.0,,,,,0.0,,,,,,
O=C(CSc1nnc(COc2ccc(Cl)cc2)n1Cc1ccco1)c1ccccc1F,CID2547019,0.0,,,,0.0,0.0,0.0,,,,,,0.0,,,,
Cc1ccc(OCc2nnc(SCC(=O)c3ccccc3)n2Cc2ccco2)cc1,CID665241,0.0,,0.0,,0.0,,,,,,,,,,,,
O=C(CSc1nnc(COc2ccccc2)n1Cc1ccco1)c1ccc(F)cc1,CID667293,0.0,,,,,,,,,,,0.0,,,,,
COc1ccc(C)cc1NC(=O)CN1C(=O)c2cccc3cccc1c23,CID951518,,,,,,,,,0.0,,0.0,0.0,,,,,
O=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccccc1,CID951909,,,,,,,,,,,,,,,0.0,,
COc1ccc(NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1OC,CID1082877,,,,,,,,,0.0,,,,,,,,
COc1ccc(NC(=O)CN2C(=O)c3cccc4cccc2c34)c(OC)c1,CID1082873,,,,,,0.0,,,,,,0.0,,,,,
CCOC(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1,CID719933,,,0.0,0.0,,,,,,,,,,0.0,,,
CCOC(=O)N1CCN(C(=O)Cc2ccc(C)cc2)CC1,CID894934,,,0.0,,,,,0.0,,,,,0.0,,,,
CCC(C(=O)N1CCN(S(C)(=O)=O)CC1)c1ccccc1,CID2971061,,,,0.0,,,,,,,,,,,,,0.0
CS(=O)(=O)N1CCN(C(=O)Cc2ccccc2)CC1,CID717229,,,0.0,,,,,,,,,,0.0,,,,
Cc1cc2cc3c(cc2nc1SCC(=O)Nc1c(C)cccc1C)CCC3,CID1440349,,,,,,,,,,,,0.0,,,,,
Cc1cc2cc3c(cc2nc1SCC(=O)Nc1ccccc1)CCC3,CID1440341,,,,,,,,,,,,0.0,,,,,
CCC(=O)Nc1ccc(NC(=O)CSc2nc3cc4c(cc3cc2C)CCC4)cc1,CID1440378,,,,,,0.0,,,,,,,,,,,
Cc1ccccc1NC(=O)CSc1nc2cc3c(cc2cc1C)CCC3,CID1440357,,,,,,,,,,,,0.0,,,,,
CC(=O)Nc1ccc(S(=O)(=O)NCC2CCC(C(=O)NCCC(C)C)CC2)cc1,CID3236166,,,0.0,,0.0,,,0.0,0.0,,0.0,,,,0.0,0.0,
CCCCNC(=O)C1CCC(CNS(=O)(=O)c2ccc(C)cc2)CC1,CID5323344,,,,,,,,,,,,,,,0.0,,
Cc1ccc(S(=O)(=O)NCC2CCC(C(=O)O)CC2)cc1,CID1388301,,,,,,0.0,,,0.0,,,,,,,,
CCOCCCNC(=O)C1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1,CID3244646,,0.0,,,,,,,,,,,,,,,
Cc1cc(N2CCN(C(=O)c3ccco3)CC2)n2ncc(-c3ccccc3)c2n1,CID665558,0.0,0.0,,0.0,,,,,,,,,0.0,,,,0.0
Cc1nn2c(N3CCN(C(=O)c4ccco4)CC3)cc(C(C)(C)C)nc2c1-c1ccccc1,CID665767,0.0,0.0,0.0,,,,,,,,,,,,0.0,,
Cc1cc(N2CCN(C(=O)c3ccco3)CC2)n2nc(C)c(-c3ccccc3)c2n1,CID665958,0.0,,,,,,,,,,,,,,0.0,,0.0
Cc1cc(N2CCN(C(=O)c3ccco3)CC2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1,CID665792,0.0,,,,,0.0,,,,,,,0.0,,,0.0,
Fc1ccc(C2=Nn3c(nnc3-c3n[nH]c4c3CCC4)SC2)cc1,CID665554,0.0,0.0,,,0.0,,,,,,,,,,,,
c1ccc(C2=Nn3c(nnc3-c3n[nH]c4c3CCC4)SC2)cc1,CID665706,,0.0,,,0.0,0.0,,,,,,,,,,,
Clc1ccc(C2=Nn3c(nnc3-c3n[nH]c4c3CCC4)SC2)cc1,CID665421,,,0.0,0.0,0.0,,0.0,,,,,,,,,,
Brc1ccc(C2=Nn3c(nnc3-c3n[nH]c4c3CCC4)SC2)cc1,CID665525,0.0,,,,,,,,,,,,,,,0.0,0.0
COc1ccc(S(=O)(=O)N(Cc2ccc(OC)c(OC)c2)Cc2ccco2)cc1,CID665553,,,,,0.0,,,,,0.0,0.0,,0.0,0.0,,,
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccco2)cc1,CID718532,0.0,,0.0,,,,,,,0.0,,,0.0,0.0,,,
CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccco2)Cc2ccccc2Cl)cc1,CID648196,,,,,,,,,0.0,,,,,,,,
Cc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)Cc2ccco2)cc1,CID1306834,,,,,,,0.0,,,,,,,0.0,,0.0,0.0
COc1ccc(-c2noc(-c3ccccc3C(=O)NCc3ccco3)n2)cc1,CID665550,0.0,,,,,,,0.0,,0.0,,,,0.0,,,
COc1ccc(-c2noc(-c3ccccc3C(=O)NCc3ccco3)n2)cc1OC,CID2000593,,,0.0,,,,,,0.0,0.0,0.0,,,0.0,,,
O=C(NCc1ccco1)c1ccccc1-c1nc(-c2ccccc2)no1,CID3577142,,,,,,,,,,,0.0,,,,,,
COc1cc(-c2noc(-c3ccccc3C(=O)NCc3ccco3)n2)cc(OC)c1OC,CID665858,0.0,,0.0,,,,0.0,,0.0,,,0.0,,,,,
Cc1cc(C)c(OCCCCn2cnc3ccccc3c2=O)c(C)c1,CID2216661,,,,,,,,,,,,0.0,,,,,
Cc1cc(C)c(C)c(OCCCCn2cnc3ccccc3c2=O)c1,CID2216537,,,,,,0.0,,,,,,0.0,,,,,
Cc1ccc(C)c(OCCCCn2cnc3ccccc3c2=O)c1,CID2216372,,,,,,0.0,,,,,,,,0.0,,,
Cc1cccc(C)c1OCCCCn1cnc2ccccc2c1=O,CID2215934,,,,,,,,,,,,0.0,,,,,
Cc1ccc(-c2nnc(SCC(=O)N3CCCc4ccccc43)n2N)cc1,CID1412792,0.0,,,,,0.0,0.0,,,,,,,,,,
Nn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1ccccc1,CID1179059,0.0,,0.0,,,,0.0,,,,,,,,0.0,0.0,
Nn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1ccc(Cl)cc1,CID2409878,0.0,,,0.0,0.0,0.0,,,,,0.0,0.0,,,,,
Cn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1ccccc1,CID651431,0.0,,,,0.0,,,0.0,,,0.0,,,,,0.0,0.0
CCn1c(C)nc2cc(C(=O)NNS(=O)(=O)c3c(C)c(C)cc(C)c3C)ccc21,CID2490261,,,,,,,,,,,,0.0,,,,,
CCn1c(C)nc2cc(C(=O)NNS(=O)(=O)c3ccc(C)c(C)c3)ccc21,CID2696880,,,,,,,,,,,0.0,,,0.0,,,
CCn1c(C)nc2cc(C(=O)NNS(=O)(=O)c3ccc(C)cc3C)ccc21,CID2415278,,,,,,,,,0.0,,,,,,,,
CCn1c(C)nc2cc(C(=O)NNS(=O)(=O)c3ccccc3F)ccc21,CID2696879,,,,,,0.0,,,,,,,,,,,
CCCS(=O)(=O)N1CCC(C(=O)NC2CCCCC2C)CC1,CID3238894,,,0.0,0.0,,,,,,,,,,,,,
CCCS(=O)(=O)N1CCC(C(=O)NC2CCC(C)CC2)CC1,CID3242270,0.0,,,0.0,,,,,,,,,,,,,
CCCS(=O)(=O)N1CCC(C(=O)NC2CCCC(C)C2C)CC1,CID3238260,,,,0.0,,,,0.0,,,,,,,,,
CCS(=O)(=O)N1CCC(C(=O)NC2CCCCC2)CC1,CID3236575,,,,,,,,,,,,,,,,,0.0
Cc1cccc(NC(=O)CCn2ccnc2C)c1,CID3238891,,,,,,,,,,,,,,,,0.0,
Cc1cc(C)cc(NC(=O)CCn2ccnc2C)c1,CID3242026,,0.0,0.0,0.0,,,,,,,,,0.0,,,0.0,
N#Cc1cccc(NC(=O)CCn2ccnc2)c1,CID4876717,,,,,,,,,0.0,,0.0,,,,,,
Cc1nccn1CCC(=O)Nc1ccc(Cl)cc1,CID16193722,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(-c2cc(C(=O)N3CCN(c4ccccn4)CC3)c3ccccc3n2)cc1,CID3238892,0.0,,,,,,,,,0.0,0.0,,,,,0.0,0.0
COc1cc(-c2cc(C(=O)N3CCN(c4ccccn4)CC3)c3ccccc3n2)cc(OC)c1OC,CID2999017,0.0,,,,,,0.0,,,,0.0,0.0,0.0,,,,
COc1ccc(-c2cc(C(=O)N3CCN(c4ccccn4)CC3)c3ccccc3n2)cc1,CID3245904,,,,,,0.0,,,,,,,,,,,
O=C(c1cc(-c2ccccc2)nc2ccccc12)N1CCN(c2ccccn2)CC1,CID1329160,,0.0,,,,,,,,0.0,0.0,,,0.0,0.0,,
COCCCn1c(SCC(=O)Nc2ccc(NC(=O)c3ccco3)c(OC)c2)nc2ccccc2c1=O,CID3177989,,,,,,,,,0.0,,,0.0,,,,,
COc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2C)ccc1NC(=O)c1ccco1,CID652419,,,0.0,,0.0,,0.0,0.0,,,,,,,,,
CCn1c(SCC(=O)Nc2ccc(NC(=O)c3ccco3)c(OC)c2)nc2ccccc2c1=O,CID651650,,0.0,0.0,,0.0,0.0,0.0,,,0.0,,,,,,,0.0
COCCn1c(SCC(=O)Nc2ccc(NC(=O)c3ccco3)c(OC)c2)nc2ccccc2c1=O,CID3173074,,,,,,,,,,,0.0,,,,,,
Cc1ccc(NC(=O)CSc2nnc(Cn3cnc4ccccc43)o2)c(C)c1,CID1206525,,,,,,0.0,,,,,0.0,,,,,,
Cc1cccc(NC(=O)CSc2nnc(Cn3cnc4ccccc43)o2)c1,CID1132911,,,,,,,,,,,0.0,,,,,,
Cc1ccc(NC(=O)CSc2nnc(Cn3cnc4ccccc43)o2)cc1,CID655015,0.0,0.0,,0.0,0.0,,0.0,0.0,,,,,0.0,,,,
CCc1ccccc1NC(=O)CSc1nnc(Cn2cnc3ccccc32)o1,CID1132767,,,,,,,,,,,0.0,,,,,,
Cc1ccccc1SCC(=O)OCC(=O)Nc1ccc(N(C)C)cc1,CID2479351,,,,,,,,,,,,,,,0.0,,
COc1cc(NC(=O)COC(=O)CSc2ccccc2F)c(C)cc1[N+](=O)[O-],CID4519997,,,,,,,,,,,,,,,0.0,,
Cc1cc(Br)ccc1SCC(=O)OCC(=O)Nc1ccccc1C#N,CID2353470,,,,,,,,,,,,,,0.0,,,
CCOc1ccccc1NC(=O)COC(=O)CSc1ccc(Cl)cc1,CID2091212,,,,,,,,,,,,,,,0.0,,
COC(=O)c1ccc(NC(=O)CSc2nc(=O)c3ccccc3[nH]2)cc1,CID1857886,,,,,,,,,0.0,0.0,0.0,,,,,,
COC(=O)c1ccccc1NC(=O)CSc1nc(=O)c2ccccc2[nH]1,CID1285667,,,,,0.0,,,,0.0,,,,,,,0.0,
O=C(CSc1nc(=O)c2ccccc2[nH]1)Nc1ccc(C(=O)O)cc1,CID2462911,,,,,,,,,,,,,,0.0,,,
CCN(CC)c1ccc(NC(=O)CSc2nc(=O)c3ccccc3[nH]2)cc1,CID2062367,0.0,0.0,,,,,0.0,0.0,,,0.0,,,,,0.0,
CC(C(=O)N1c2ccc(F)cc2CCC1C)N1C(=O)c2ccccc2C1=O,CID645662,,,,,,,,,,,0.0,,,,,,
CC1CC(C)(C)N(C(=O)CN2C(=O)c3ccccc3C2=O)c2ccccc21,CID2880983,,,,,,,,,0.0,0.0,0.0,,,,,,
CC1CCc2cc(F)ccc2N1C(=O)CN1C(=O)c2ccccc2C1=O,CID2932548,,,,,,,0.0,,,0.0,,,,,,,
CC(C(=O)N1CCCc2ccccc21)N1C(=O)c2ccccc2C1=O,CID2927339,,,,,,,,,,,,,,0.0,,,
COC(=O)c1cccc(N2C(=O)c3cccnc3C2=O)c1,CID659788,0.0,,0.0,,,,,,,,0.0,,0.0,,0.0,,
CCOc1ccccc1N1C(=O)c2cccnc2C1=O,CID709881,,,,,,0.0,,0.0,,,0.0,,,,,,
CCOc1ccc(N2C(=O)c3cccnc3C2=O)cc1,CID3237849,,,0.0,,,,,,,,,,,,,,
Cc1cccc(N2C(=O)c3cccnc3C2=O)c1,CID706271,,,,,,,,,,0.0,,,,0.0,0.0,,
O=C(N/N=C/C=C/c1ccccc1)c1ccccc1Br,CID1928638,,,,,,,,,0.0,,0.0,,,,,,
CC(/C=N/NC(=O)c1ccc(Br)cc1)=C\c1ccccc1,CID2245517,,,,,,,,,0.0,,,,,,,,
O=C(N/N=C/C=C/c1ccccc1)c1ccc(Br)cc1,CID2246281,,,,,,,,,0.0,,,,,,,,
O=C(N/N=C/C=C/c1ccccc1)c1cccc(Br)c1,CID9550678,,,,,,,,,,,,0.0,,,,,
CCOc1ccc(-n2c(SCc3ccc(C(=O)OC)o3)nc3c(c2=O)SCC3)cc1,CID2052845,,,0.0,,0.0,,,,,,,,,,,,
COC(=O)c1ccc(CSc2nc3c(c(=O)n2-c2ccc(C)cc2)SCC3)o1,CID2052840,,,,,,,,,0.0,,,,,,,,
COC(=O)c1ccc(CSc2nc3c(c(=O)n2-c2ccccc2)SCC3)o1,CID2155154,,,0.0,,,,,,0.0,0.0,0.0,,0.0,,0.0,,
COC(=O)c1ccc(CSc2nc3c(c(=O)n2-c2ccc(Br)cc2)SCC3)o1,CID2052895,,,,,,,,,0.0,,0.0,,,,,,
COc1cc(C(=O)N2CCN=C2c2ccccc2)cc(OC)c1OC,CID777296,0.0,,,0.0,,,0.0,,0.0,,,,,,,,0.0
COc1ccccc1C(=O)N1CCN=C1c1ccccc1,CID802376,,,,,,,,0.0,,,,0.0,0.0,,0.0,,
O=C(c1ccc(F)cc1)N1CCN=C1c1ccccc1,CID777298,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)N2CCN=C2c2ccccc2)cc1OC,CID808814,0.0,,,0.0,,,,,,,,0.0,,,,,0.0
Nn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccccc1,CID1264941,,,,,,,,,,,,,,,0.0,,
C=CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccccc1OC,CID665367,0.0,,,0.0,0.0,0.0,,0.0,,,0.0,,,,,,0.0
C=CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccccc1,CID665192,,,0.0,,0.0,0.0,0.0,,,,0.0,,,,,0.0,
Nn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1cccc(Cl)c1,CID4679705,,,,,,,,,,,,0.0,,,,,
COc1cccc(NC(=O)CSc2nnc(Cn3nnc4ccccc43)n2C)c1,CID1165943,,,,,,,,,,,0.0,,,,,,
COc1ccc(NC(=O)CSc2nnc(Cn3nnc4ccccc43)n2C)cc1,CID1165919,,,,,,,,,,0.0,,,,,0.0,,
COc1cc(NC(=O)CSc2nnc(Cn3nnc4ccccc43)n2C)cc(OC)c1,CID1165978,,,,,,,,,,,0.0,,,,0.0,,
COc1ccc(OC)c(NC(=O)CSc2nnc(Cn3nnc4ccccc43)n2C)c1,CID1165925,,,,,,,,,,,0.0,,,,0.0,,
CCOC(=O)C1CCN(C(c2cccs2)c2sc3nc(C)nn3c2O)CC1,CID5073073,0.0,0.0,,,0.0,,,,,,,,,,,0.0,0.0
COC(=O)C1CCN(C(c2cccs2)c2sc3nc(C)nn3c2O)CC1,CID5073074,0.0,,,,0.0,,0.0,0.0,,,,,,,,0.0,
Cc1nc2sc(C(c3cccs3)N3CC(C)CC(C)C3)c(O)n2n1,CID5073230,,,,,0.0,,,,,,,,,,,,
Cc1nc2sc(C(c3cccs3)N3CCC(C(N)=O)CC3)c(O)n2n1,CID5073075,,0.0,,,,,,,,0.0,,,,,,0.0,
COC(=O)c1cc2occc2n1Cc1cccc(C)c1,CID16011036,,,,,,,,,,,,,,0.0,,,
COC(=O)c1cc2occc2n1Cc1ccc(Cl)cc1,CID4048817,,,,,,,,,,,,,,0.0,,,
COC(=O)c1cc2occc2n1Cc1c(F)cccc1Cl,CID3240727,,,,0.0,,,,,,,,,,,,,0.0
CCOC(=O)c1cc2occc2n1Cc1c(F)cccc1Cl,CID1438713,,,,,,,,,0.0,,,,,,,,
Cc1ccc(-n2nnnc2SCC(=O)N2CCN(C(=O)c3ccco3)CC2)c(C)c1,CID2382804,0.0,,,,0.0,,,0.0,,0.0,0.0,,,,,0.0,
O=C(CSc1nnnn1-c1ccccc1)N1CCN(C(=O)c2ccco2)CC1,CID2336321,,0.0,,,0.0,,,,,0.0,0.0,0.0,0.0,,,0.0,
CC(=O)c1ccc(-n2nnnc2SCC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1,CID649982,,,,,,,,0.0,,,,,,,,0.0,0.0
CC(=O)Nc1ccc(-n2nnnc2SCC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1,CID3195209,,,,,,,,,,,0.0,,,,,,
COc1ccc(CCNC(=O)CCN2C(=O)COc3ccc(C)cc32)cc1OC,CID3236663,,,0.0,,,,0.0,0.0,,,,,,,,,
COc1ccc(CCNC(=O)CCN2C(=O)COc3ccccc32)cc1OC,CID3239494,,,,,,,,0.0,,,,,,,,,
COc1ccc(CCNC(=O)CCN2C(=O)C(C)Oc3ccc(C)cc32)cc1OC,CID3235781,,,,0.0,,,,0.0,,,,,,,,,
CCOc1ccc(CCNC(=O)CCN2C(=O)COc3ccccc32)cc1OCC,CID3245019,,,,,,,,0.0,,,,,,,,,
CCC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(CC2CCCO2)C3=O)cc1,CID2966346,,,,,,,,0.0,0.0,,,,,,,,
Cc1cccc(C(=O)Nc2ccc3c(c2)C(=O)N(CC2CCCO2)C3=O)c1,CID2961187,,,,,,0.0,,,0.0,0.0,,,,,0.0,,
O=C(Nc1ccc2c(c1)C(=O)N(CC1CCCO1)C2=O)c1ccccc1Br,CID2954014,,,,,,,,,0.0,,,0.0,,,,,
O=C(Nc1ccc2c(c1)C(=O)N(CC1CCCO1)C2=O)c1cccc(Br)c1,CID2941507,,,,,,,,,,,,0.0,,,,,
COc1ccc(NC(=O)C(=O)NCc2ccco2)cc1OC,CID2255241,,,,,,0.0,,,,,,,,,,,
Cc1ccccc1NC(=O)C(=O)NCc1ccco1,CID2271586,,,,,,0.0,,,,,,,,,,,
CCc1ccccc1NC(=O)C(=O)NCc1ccco1,CID557198,,,,,,0.0,,,,,,,,,,,
Cc1cc(C)cc(NC(=O)C(=O)NCc2ccco2)c1,CID2273347,,,,,,0.0,,,,,,,,,,,
C=CCn1cc(-c2ccc(Cl)cc2)cc(C#N)c1=O,CID1476344,,,,,,,,,,0.0,,,,,,,
Cc1[nH]c(=O)c(C#N)cc1-c1ccccc1,CID20231,,,,,,,,,,,,0.0,,,,,
CC(C)n1cc(-c2ccc(Cl)cc2)cc(C#N)c1=O,CID1476350,,,,,,0.0,,,,,,0.0,,,,,
N#Cc1cc(-c2cccc(Cl)c2)c[nH]c1=O,CID1479121,,,,,,,,,,,,,,,0.0,,
COC(=O)c1cccc(S(=O)(=O)N(Cc2ccco2)Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)c1,CID1165360,,,,,,,,,,,0.0,,,,,,
COC(=O)c1ccccc1S(=O)(=O)N(Cc1ccco1)Cc1cc2cc(OC)ccc2[nH]c1=O,CID650437,,,,,0.0,,0.0,,,,0.0,,,,,0.0,0.0
COC(=O)c1cccc(S(=O)(=O)N(Cc2ccco2)Cc2cc3cc(OC)ccc3[nH]c2=O)c1,CID1164898,,,,,,0.0,,,,0.0,,,,,,,
COC(=O)c1cccc(S(=O)(=O)N(Cc2ccco2)Cc2cc3ccc(OC)cc3[nH]c2=O)c1,CID649640,,,,,0.0,,0.0,,,,0.0,,,,,,
COc1cc2c3c(c1)C1(C(=O)N3C(C)(C)C=C2C)C(C#N)=C(N)Oc2cc(O)ccc21,CID2952839,,,,,,,,0.0,0.0,0.0,,,0.0,,,,
CCOc1cc2c3c(c1)C1(C(=O)N3C(C)(C)C=C2C)C(C#N)=C(N)Oc2cc(O)ccc21,CID2956740,,,,,,,,,0.0,,,,,,,,
CC1=CC(C)(C)N2C(=O)C3(C(C#N)=C(N)Oc4cc(O)ccc43)c3cccc1c32,CID664556,,,0.0,,,,,,0.0,,,,0.0,,,0.0,
CC1=CC(C)(C)N2C(=O)C3(C(C#N)=C(N)Oc4cc(O)ccc43)c3c(C)c(C)cc1c32,CID2978717,,,,,,0.0,,,,,0.0,,,,,,
O=c1nc(CN2CCN(CCO)CC2)[nH]c2ccccc12,CID895408,,0.0,,,,,,,,,,0.0,,,,,
CCS(=O)(=O)N1CCN(Cc2nc(=O)c3ccccc3[nH]2)CC1,CID654221,,0.0,,,,0.0,,,,,,,,,,0.0,
CC(c1nc(=O)c2ccccc2[nH]1)N1CCN(C)CC1,CID5177715,,,,,,,,,,,,,,,0.0,,
O=c1nc(CN2CCNCC2)[nH]c2ccccc12,CID1952303,,,,,,,,,,,,,,,0.0,,
CCCc1cc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)no1,CID5307213,0.0,,,,,,,,,,,,,,,,
Cc1cc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)no1,CID3244419,,,0.0,,,,,0.0,,,,0.0,,,,0.0,
CC(C)Cc1cc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)no1,CID9550629,,,,,,,,,,,,0.0,,,,,
CC(C)c1cc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)no1,CID3242450,,0.0,0.0,,,,,,,,0.0,,,,,,
COc1ccccc1N1CCN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)CC1,CID982241,,,0.0,,0.0,,,,,,,,0.0,,,0.0,
COc1ccc(N2CCN(C(=O)CN(Cc3ccc(Cl)cc3)S(C)(=O)=O)CC2)cc1,CID2240890,,,,,,0.0,,,,,,0.0,,,,,
CS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)Cc1ccc(Cl)cc1,CID2968118,,,,,,,,,,,0.0,,,,,,
COc1ccccc1N1CCN(C(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)CC1,CID2229300,,0.0,,,0.0,,,,,,,0.0,0.0,,,,0.0
CCCc1nc2n[nH]c(N)c2c2c1CCC2,CID664932,,0.0,,,,0.0,,,,,,,,,,0.0,
CCCCc1nc2n[nH]c(N)c2c2c1CCC2,CID660386,,,,,,,,,,,,,0.0,,,,
CC(C)c1nc2n[nH]c(N)c2c2c1CCC2,CID661927,,,,0.0,,,,0.0,,0.0,,,,,,,
CC(C)Cc1nc2n[nH]c(N)c2c2c1CCC2,CID661709,,,,0.0,,,,,0.0,,,,,,0.0,,
CCOC(=O)c1cnc(SC)nc1Oc1cccc(NS(=O)(=O)c2ccccc2)c1,CID1481618,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1cnc(SC)nc1Oc1cccc(NS(=O)(=O)c2ccc(C)cc2)c1,CID1481613,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1cnc(SC)nc1Oc1cccc(NS(=O)(=O)c2ccc(F)cc2)c1,CID1481614,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1cnc(SC)nc1Oc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1,CID1481606,,,,,,,,,,,,,,,0.0,,
Cc1ccc(-c2noc(COc3ccc4c(c3)OCO4)n2)cc1,CID672375,,,,,,,,,0.0,,,,,0.0,,,
c1ccc(-c2noc(COc3ccc4c(c3)OCO4)n2)cc1,CID654925,0.0,,,,,,,,,,,,0.0,0.0,0.0,,
COc1ccc(-c2noc(COc3ccc4c(c3)OCO4)n2)cc1OC,CID2233286,,,,,,,0.0,,,,,,0.0,,,,
COc1ccc(-c2noc(COc3ccc4c(c3)OCO4)n2)cc1,CID2227641,0.0,,0.0,,,,,0.0,,,,0.0,0.0,0.0,,,
O=c1c2c(nc3cc(-c4ccccc4)[nH]n13)CCC2,CID804700,,,,,,0.0,,0.0,0.0,,,0.0,0.0,,0.0,0.0,
Cc1ccc(-c2[nH]n3c(=O)c4c(nc3c2C)CCC4)cc1,CID5346964,,,,,,0.0,,,,,,,,,,,
O=c1c2c(nc3cc(-c4cccc(Cl)c4)[nH]n13)CCC2,CID784616,,,,,,0.0,,,,0.0,,,,,,,
COc1ccc(-c2cc3nc4c(c(=O)n3[nH]2)CCC4)cc1,CID807711,,0.0,,,,,,0.0,,0.0,,0.0,,,,0.0,
Cc1s/c(=N\C(=O)c2ccco2)n(C)c1-c1ccc(F)cc1,CID838630,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-c2c(C)s/c(=N\C(=O)c3ccco3)n2C)cc1,CID838622,,,,,,0.0,,,,,,,,,,,
Cc1s/c(=N\C(=O)c2ccco2)n(C)c1-c1ccc(Cl)cc1,CID838623,,,,,,,,,,,,,,0.0,0.0,,
Cc1s/c(=N\C(=O)c2ccco2)n(C)c1-c1ccccc1,CID838627,,,,,,0.0,,,,,,,,,,,
COc1ccc(CNC(=O)NC2CCCCC2)cc1,CID854988,,,,0.0,,,,,,,,,,,,0.0,
Cc1ccc(CNC(=O)NC2CCCCC2)cc1,CID840481,,,,,,,,,,0.0,,,,,,,
CN(Cc1ccccc1)C(=O)NC1CCCCC1,CID306664,,,,,,,,,,0.0,,,,,,,
O=C(NCc1ccccc1)NC1CCCCC1,CID544877,0.0,,,0.0,,0.0,0.0,,,0.0,,0.0,,,,0.0,
CC(=O)c1ccccc1OC(=O)CCN1C(=O)c2ccccc2C1=O,CID892318,,,,,,,,,,,,,,,0.0,,
Cc1ccc(OC(=O)CCN2C(=O)c3ccccc3C2=O)cc1C,CID723828,,,,,,,,,,,,,,,0.0,,
O=C(CCN1C(=O)c2ccccc2C1=O)Oc1ccc(F)cc1,CID891016,,,,0.0,,,,0.0,,,0.0,,0.0,,,,
Cc1cc(C)cc(OC(=O)CCN2C(=O)c3ccccc3C2=O)c1,CID723971,,,,,,,,,,,0.0,,,,0.0,,
O=c1c2ccccc2n(Cc2ccc(Cl)cc2)c(=O)n1Cc1ccco1,CID3245953,,0.0,,,,,,,,,,,,,,,
Cc1ccccc1Cn1c(=O)n(Cc2ccco2)c(=O)c2ccccc21,CID3239726,0.0,,,0.0,,,,,0.0,,,,,,,,
Cc1cccc(Cn2c(=O)n(Cc3ccco3)c(=O)c3ccccc32)c1,CID3241996,0.0,,0.0,,,,,0.0,0.0,,,,,,0.0,,
Cc1ccc(Cn2c(=O)n(Cc3ccco3)c(=O)c3ccccc32)cc1,CID3241383,0.0,,,,,,,,0.0,,,,,,,,
CC(=O)Oc1oc(-c2ccccc2)nc1/C=N/c1ccccc1,CID915860,,,,,,0.0,,,0.0,,,0.0,,0.0,,,
CCOC(=O)c1ccc(/N=C/c2nc(-c3ccccc3)oc2OC(C)=O)cc1,CID658778,0.0,,,,,,,,0.0,0.0,,,1.0,,,,
CCC(=O)Oc1oc(-c2ccccc2)nc1/C=N/c1ccccc1OC,CID658964,0.0,,,,,,0.0,,0.0,,,,,0.0,,,
COc1ccccc1/N=C/c1nc(-c2ccccc2)oc1OC(C)=O,CID658724,0.0,,,,,,0.0,,0.0,,,,,,,,
COc1ccc(CNC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1,CID1331390,,,,,,,,,0.0,0.0,,0.0,,,,,
COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1)Cc1ccccc1,CID2982420,,,,,,,,,,,0.0,,,,,,
COc1ccc(CNC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1,CID1284026,,,,,,,,,,,,,,,0.0,,
COc1ccc(CNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1,CID1330022,,,,,,,,,,,,0.0,,,0.0,,
O=C(COc1ccccc1Cl)Nc1nc(-c2cccs2)cs1,CID2467064,,,,,,,,,0.0,,,0.0,,,,,
O=C(COc1ccc(Cl)cc1)Nc1nc(-c2cccs2)cs1,CID2359907,,,,,,,,,0.0,,,,,0.0,,,
Cc1cc(Cl)ccc1OCC(=O)Nc1nc(-c2cccs2)cs1,CID1291535,,,,,,,,,0.0,0.0,,,,0.0,,,
O=C(COc1ccccc1)Nc1nc(-c2cccs2)cs1,CID2997799,,,0.0,,0.0,,,,,0.0,,,,,,0.0,
Cn1c(=O)c2c(ncn2CC(=O)N2CCN(c3ccc(F)cc3)CC2)n(C)c1=O,CID1116249,,,,0.0,,,,,,,,,,,,,
Cn1c(=O)c2c(ncn2CC(=O)N2CCN(c3ccccc3)CC2)n(C)c1=O,CID1116250,,0.0,,,,,,,,,,,,,,0.0,
Cc1cccc(N2CCN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)c1C,CID1147746,,,,,,,,,,0.0,,,,0.0,,,
Cn1c(=O)c2c(ncn2CC(=O)N2CCN(c3ccccc3F)CC2)n(C)c1=O,CID1164376,,,0.0,,,,,,,,,,,,,,
O=C(NC(=S)NCc1ccccc1)c1ccccc1F,CID696581,,,,,,,,,,,,,,0.0,,,
COc1ccc(CN(CCC#N)C(=S)NC(=O)c2ccccc2)cc1,CID1886670,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(=O)NC(=S)NCc2ccccc2)cc1OC,CID976627,,,,,,,,,,,,,,,0.0,,
N#CCCN(Cc1ccccc1)C(=S)NC(=O)c1ccccc1,CID2224295,,,,,,,,,,,,0.0,,,0.0,,
COC(=O)c1ccc(NC(=O)CN2CCCC2)cc1,CID558416,,0.0,,0.0,,,,,,,,0.0,,,,,0.0
NS(=O)(=O)c1ccc(NC(=O)CN2CCCC2)cc1,CID176545,,,,,,,,,,,,,,,0.0,,
O=C(CN1CCCC1)Nc1cc(F)ccc1F,CID4883952,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccc(Cl)c(NC(=O)CN2CCCC2)c1,CID2233506,0.0,0.0,,,,,,,,0.0,,,0.0,,,0.0,0.0
CCOc1ccc(C(=S)N2CCCC2)cc1,CID2185505,,,,,,,,,,0.0,,,,,,,
CCOc1ccccc1C(=S)N1CCCC1,CID1242794,,,,,,,0.0,,,,,,0.0,,,,
COc1ccc(C(=S)N2CCCC2)cc1OC,CID800282,,,,,,,,,,0.0,,,,,,,
COc1ccc(C(=S)N2CCCC2)cc1C,CID800077,,,,,0.0,0.0,0.0,,,,,,,,,,
CCCc1cc(C(=O)Nc2sc3c(c2C#N)CCC3)no1,CID5309527,0.0,,,,,,,,,,0.0,0.0,,,,,
CC(C)c1cc(C(=O)Nc2sc3c(c2C#N)CCC3)no1,CID3245767,0.0,0.0,,0.0,0.0,0.0,,0.0,,,,,,,,0.0,
Cc1cc(C(=O)Nc2sc3c(c2C#N)CCC3)no1,CID866473,,,0.0,0.0,,,,0.0,,1.0,0.0,0.0,0.0,,,0.0,
CC(C)Cc1cc(C(=O)Nc2sc3c(c2C#N)CCC3)no1,CID9549987,,,,,,0.0,,,,0.0,,,,,,,
Cc1ccc(N2C(=O)CC(Sc3ncn[nH]3)C2=O)cc1,CID2878813,,,,,,,,,0.0,,,,,,,,
COc1ccc(N2C(=O)CC(Sc3ncn[nH]3)C2=O)c(OC)c1,CID2918437,,,,,,,,,,,,,,,,,0.0
CC(C)c1ccc(N2C(=O)CC(Sc3ncn[nH]3)C2=O)cc1,CID2927108,,,,,,,,,,,0.0,,,,,,
Cc1ccc(N2C(=O)CC(Sc3ncn[nH]3)C2=O)cc1C,CID2873851,,,,,,,,,,0.0,,,,,,,
CC1CC(C)CN(c2ncc3c(n2)CC(c2ccccc2)CC3=O)C1,CID664565,,,,,,0.0,,0.0,,0.0,,,,,,,
CC1CC(C)CN(c2ncc3c(n2)CC(c2ccc(Cl)cc2)CC3=O)C1,CID663701,,,0.0,,0.0,0.0,,,,,,,,,,,
CC1CC(C)CN(c2ncc3c(n2)CC(c2ccccc2Cl)CC3=O)C1,CID665012,,,0.0,,0.0,,,,,,,,,,,,0.0
Cc1ccc(C2CC(=O)c3cnc(N4CC(C)CC(C)C4)nc3C2)cc1,CID663372,,0.0,,,,,,,,,,,,,,,
Cc1cc(C)n(-c2nc(-c3cccc(Cl)c3)cs2)n1,CID829964,0.0,0.0,,,0.0,,0.0,,,,,,,,0.0,,0.0
Cc1cc(C)n(-c2nc(-c3ccc(Cl)cc3)cs2)n1,CID1498249,,,,,,,,,,,0.0,,,,,,
Cc1cc(C(F)(F)F)n(-c2nc(-c3ccccc3)c(CC(=O)O)s2)n1,CID1472821,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1cnn(-c2nc(-c3ccccc3)cs2)c1C(F)(F)F,CID1486735,,,,,,,,,,,,,,0.0,,,
COc1cccc(-c2nnc(SCC(=O)N3CCCc4ccccc43)o2)c1,CID2155716,,,0.0,,0.0,,,,,0.0,,,,0.0,,0.0,0.0
COc1ccc(OC)c(-c2nnc(SCC(=O)N3CCCc4ccccc43)o2)c1,CID2155852,,,0.0,,0.0,,,,,,,,,,,0.0,
COc1ccc(-c2nnc(SCC(=O)N3CCCc4ccccc43)o2)cc1OC,CID654677,0.0,,0.0,,0.0,,,0.0,,,,,,0.0,,,
COc1cc(OC)cc(-c2nnc(SCC(=O)N3CCCc4ccccc43)o2)c1,CID647686,,,,,0.0,,,,,,0.0,,0.0,,,,0.0
COc1cccc(-c2nnc(SCC(=O)Nc3cc(C)on3)o2)c1,CID2155717,,,,0.0,,,,0.0,,,,,,,,,
COc1ccccc1-c1nnc(SCC(=O)Nc2cc(C)on2)o1,CID1259960,,0.0,,,,,0.0,,,,0.0,,,0.0,,0.0,
COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3cc(C)on3)o2)c1,CID2155806,,,,,,,,,,,,,0.0,,,,0.0
COc1ccc(-c2nnc(SCC(=O)Nc3cc(C)on3)o2)cc1,CID2085595,,,,,,,,,,,,,,0.0,,,
COc1ccc(CC2S/C(=C(\C#N)C(=O)NCc3ccco3)N(c3ccc(C)cc3)C2=O)cc1,CID665699,0.0,,0.0,0.0,0.0,,,0.0,,,,,0.0,,,,
N#C/C(C(=O)NCc1ccco1)=C1/SC(Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1,CID660885,0.0,,0.0,,0.0,,,,,0.0,,0.0,0.0,0.0,,,0.0
N#C/C(C(=O)NCc1ccco1)=C1/SC(Cc2ccc(F)cc2)C(=O)N1c1ccccc1,CID660717,0.0,,,,,,,,,,,,0.0,,,0.0,0.0
Cc1ccc(CC2S/C(=C(/C#N)C(=O)NCc3ccco3)N(c3ccccc3)C2=O)cc1,CID2919046,,,0.0,,,0.0,,,,,,,,,0.0,,0.0
Cc1cc(C)cc(Nc2ncc3c(n2)CCCC3=O)c1,CID665694,,0.0,0.0,0.0,,,,0.0,,,,,0.0,,,,0.0
Cc1cccc(Nc2ncc3c(n2)CC(C)CC3=O)c1,CID665688,0.0,0.0,,,,,,0.0,,,,,,,,,
CC1CC(=O)c2cnc(Nc3cccc(C(F)(F)F)c3)nc2C1,CID665345,0.0,,,0.0,0.0,,,,0.0,,,0.0,,,,,0.0
Cc1nc(Nc2cccc(C(F)(F)F)c2)nc2c1C(=O)CC(C)C2,CID2981373,,,,,,,,,,,,,,,,,0.0
COc1cccc(NC(=O)Cc2nnc(SCC(=O)c3ccccc3)n2C)c1,CID1262685,0.0,,0.0,0.0,,,0.0,,,,,,0.0,,,,
Cc1ccccc1NC(=O)Cc1nnc(SCC(=O)c2ccc(Br)cc2)n1C,CID2968419,,,,,,,,,0.0,,,,,,,,
Cn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)c1ccccc1,CID1262282,0.0,0.0,,,,,,,,,,0.0,,,,0.0,0.0
Cc1ccc(NC(=O)Cc2nnc(SCC(=O)c3ccc(Br)cc3)n2C)cc1Cl,CID2220045,,,,,,,,,,,0.0,,,,,,
NC(=S)NNC1=c2ccccc2=NC1=O,CID5354107,,,,,,,,,,,,,,0.0,,,
O=C1N=c2ccc(Cl)cc2=C1NO,CID5409927,,,,,,,,,,,,,,,0.0,,
CCc1ccc2c(c1)=C(NOC)C(=O)N=2,CID7033199,,,,,,,,,,,,,,0.0,0.0,,
CC(C)CC(=O)NNC1=c2ccccc2=NC1=O,CID6110446,,,,,,,,,,,,,,,0.0,,
CCn1c(SCC(=O)Nc2ccc(N3CCOCC3)cc2)nnc1-c1ccc(OC)cc1,CID5037377,,,,,,,,,,,,0.0,,,,,
Cn1c(SCC(=O)Nc2ccc(N3CCOCC3)cc2)nnc1-c1ccccc1,CID2229088,0.0,,0.0,,,,,,,,0.0,,,,,0.0,
Cn1c(SCC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)nnc1-c1ccccc1,CID2191946,,,,,0.0,,,,,,,,,,,,
CCn1c(SCC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)nnc1-c1ccc(N)cc1,CID1840789,,,,,0.0,,0.0,,,,0.0,,,,,,
O=C1NC(=O)C2(Cc3ccccc3N3CCCC32)C(=O)N1c1ccc(Cl)cc1,CID666798,,0.0,,,,,0.0,,,,,,,,,0.0,
Cc1ccc(N2C(=O)NC(=O)C3(Cc4ccccc4N4CCCC43)C2=O)cc1,CID667155,,,,0.0,0.0,,0.0,,,0.0,,,,,,,
O=C1NC(=O)C2(Cc3ccccc3N3CCCC32)C(=O)N1c1cccc(Cl)c1,CID666818,,,,0.0,,0.0,,,,,,,0.0,,,0.0,
O=C1NC(=O)C2(Cc3ccccc3N3CCCC32)C(=O)N1c1ccccc1,CID666702,,,,,0.0,0.0,0.0,0.0,,0.0,,,,,,,
O=c1cc(CSc2nnc(Nc3ccccc3)s2)nc2sccn12,CID2449132,,,,,,,,,,,,0.0,,,,,
CCc1ccc(Nc2nnc(SCc3cc(=O)n4ccsc4n3)s2)cc1,CID2581531,,,,,,,,,0.0,,,0.0,,,,,
Cc1ccc(Nc2nnc(SCc3cc(=O)n4ccsc4n3)s2)c(C)c1,CID2083638,,,,,0.0,,,,0.0,,,0.0,,,,,
Cc1ccccc1Nc1nnc(SCc2cc(=O)n3ccsc3n2)s1,CID2419749,,,,,,,,,,,,0.0,,,,,
Cc1cc(O)c(C(C)C)cc1NC1=NC(=O)SC1,CID659080,,,,0.0,,0.0,,,,,,,,,,,
COC(=O)CC1SC(=O)N=C1Nc1ccc(O)cc1,CID3684786,,,,,,,,,,,0.0,,,,,,
COC(=O)CC1SC(=O)N=C1Nc1ccccc1,CID2892639,,,0.0,,0.0,,,0.0,,,,,,,0.0,,
COC(=O)CC1SC(=O)N=C1Nc1ccc(C)cc1,CID3244605,0.0,0.0,,,0.0,,,0.0,,0.0,,,,,,,
CCCCn1c(SCC(=O)N2CCCC2)nc2c1c(=O)n(C)c(=O)n2C,CID649786,,0.0,,,,,,,,,,,,,,,
CC(C)n1c(SCC(=O)N2CCCC2)nc2c1c(=O)n(C)c(=O)n2C,CID644903,,,,,,,,0.0,,,,,,,,,0.0
CCn1c(SCC(=O)N2CCCC2)nc2c1c(=O)n(C)c(=O)n2C,CID646299,,0.0,,,,,,0.0,,,0.0,0.0,,,,,
CCCn1c(SCC(=O)N2CCCC2)nc2c1c(=O)n(C)c(=O)n2C,CID654075,,,,,,,,,,,,,,,,,0.0
Cc1ccc(OCCNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1,CID1825246,,,,,,,,,,,,0.0,,0.0,,,
O=C1CCCN1c1ccc(S(=O)(=O)NCCOc2ccccc2)cc1,CID1811239,,,,,,,,,,0.0,,,,,,,
Cc1cc(N2CCCC2=O)cc(C)c1S(=O)(=O)NCCOc1ccccc1,CID1811245,,,,,0.0,,,0.0,,0.0,,,,,,,0.0
Cc1ccc(OCCNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1C,CID2174334,,,,,,,,,,0.0,0.0,,,0.0,,,
Cc1ccc(-c2nn(CC(=O)Nc3cccnc3)c(=O)c3ccccc23)cc1,CID1267790,,,,,,,,,,0.0,,0.0,,,0.0,,
O=C(Cn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O)Nc1cccnc1,CID1886877,,,,,,,,,,0.0,0.0,0.0,,,,,
O=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)Nc1cccnc1,CID1882952,,,,,,,,,,,0.0,0.0,,0.0,0.0,,
O=C(Cn1nc(-c2cccc([N+](=O)[O-])c2)c2ccccc2c1=O)Nc1cccnc1,CID1292808,,,,,,,,,,,0.0,,,,,,
O=C(c1ccncc1)c1ccc(Br)cc1,CID766506,,,,,,,0.0,,0.0,,0.0,0.0,,,,,
O=C(c1ccccc1)c1ccncc1,CID26731,,,,,,,,,0.0,,,,,,,0.0,
CCOc1ccc(C(=O)c2ccncc2)cc1,CID36316,,,,,,,,,0.0,0.0,,,,,,,
O=C(c1ccncc1)c1ccc([N+](=O)[O-])cc1,CID670484,,,,,,,,,,,,,,,0.0,,
N#Cc1c(-c2ccccc2Cl)cc(C2CC2)nc1N,CID622734,0.0,0.0,0.0,0.0,,,,,,,0.0,,,,,,0.0
COc1ccccc1-c1cc(C2CC2)nc(N)c1C#N,CID781659,,,,,,,0.0,0.0,,,,0.0,,,,,
N#Cc1c(-c2ccccc2)cc(C2CC2)nc1SCC(=O)O,CID765100,,,,,,,,,,,,,,0.0,,,
N#Cc1c(-c2ccccc2)cc(C2CC2)nc1N,CID668120,,,,0.0,,,0.0,,,,,,0.0,,,,
CC(C)(C)NC(=O)C(c1ccc(F)cc1)N(Cc1ccco1)C(=O)c1csnn1,CID648806,0.0,0.0,,,0.0,,,0.0,,,,,0.0,,,,
CC(C)(C)NC(=O)C(c1ccccc1F)N(Cc1ccco1)C(=O)c1csnn1,CID654800,0.0,0.0,,0.0,0.0,,,0.0,,0.0,,,,,0.0,,
CC(C)(C)NC(=O)C(c1ccccc1)N(Cc1ccco1)C(=O)c1csnn1,CID654559,,,0.0,0.0,,,,0.0,,,0.0,,0.0,,0.0,0.0,0.0
CCC(C)(C)NC(=O)C(c1ccccc1F)N(Cc1ccco1)C(=O)c1csnn1,CID652227,0.0,,,,0.0,,0.0,0.0,,0.0,,,0.0,,,,
O=C(Cn1cnc2c(nnn2-c2ccc(F)cc2)c1=O)N1CCCc2ccccc21,CID3236542,,0.0,,0.0,,,,,,,,,,,,,
COc1ccc(-n2nnc3c(=O)n(CC(=O)N4CCCc5ccccc54)cnc32)cc1,CID5310132,,,,0.0,,,,,,,,,,,,,
COc1cccc(-n2nnc3c(=O)n(CC(=O)N4CCCc5ccccc54)cnc32)c1,CID3239173,,0.0,,,,,,,,0.0,,,,,,,0.0
CCOc1ccc(-n2nnc3c(=O)n(CC(=O)N4CCCc5ccccc54)cnc32)cc1,CID5310583,,,0.0,,,,,,,,,,,,,,
COc1ccc(-c2noc(CCC(=O)Nc3cccnc3)n2)cc1OC,CID665602,,,,,,,,0.0,0.0,,,,,,,,
COc1cc(-c2noc(CCC(=O)Nc3cccnc3)n2)cc(OC)c1OC,CID665472,0.0,,0.0,,,,,,0.0,,,0.0,,,,,
CCOc1cc(-c2noc(CCC(=O)Nc3cccnc3)n2)ccc1OC,CID666812,0.0,0.0,,0.0,,,0.0,,0.0,,0.0,,0.0,,,,
COc1cccc(-c2noc(CCC(=O)Nc3cccnc3)n2)c1,CID665626,,0.0,0.0,,,,,0.0,,,,0.0,0.0,,0.0,,
COc1ccc(N(C(=O)c2ccco2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1,CID2963532,,,,,,,,,,0.0,0.0,,,,,,
COc1ccc(N(C(=O)c2ccco2)S(=O)(=O)c2ccccc2)cc1,CID993444,,,,,,0.0,,,0.0,0.0,0.0,,,0.0,,,
COc1ccc(N(C(=O)c2ccco2)S(=O)(=O)c2ccc(F)cc2)cc1,CID993463,,,,,,,,,,,,0.0,,,,,
COc1ccc(N(C(=O)c2ccco2)S(=O)(=O)c2cc(OC)ccc2OC)cc1,CID1242562,,,,,,,,0.0,,0.0,0.0,,,,,,
CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2ccco2)cc1,CID2116787,,,,,0.0,,0.0,0.0,,,0.0,,0.0,,0.0,0.0,
COc1ccccc1NS(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2ccco2)cc1,CID2352929,,,,,,,,0.0,,0.0,,,,,,0.0,
COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2ccco2)cc1,CID2435656,,,,,0.0,,,0.0,,,0.0,,,,0.0,,
O=C(COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)NCc1ccco1,CID2376386,,,,,,0.0,,,,,,,,,0.0,,
O=C(N/N=C/C(Br)=C/c1ccccc1)c1n[nH]c2c1CCC2,CID1097667,,,,,,,,,0.0,,0.0,0.0,,,,,
O=C(N/N=C/C(Br)=C\c1ccccc1)c1n[nH]c2c1CCC2,CID1097666,,,,,,,,,,,0.0,,,,,,
O=C(N/N=C/C=C/c1ccccc1)c1n[nH]c2c1CCC2,CID1718913,,,,,,,,,,,,0.0,,,,,
CC(/C=N/NC(=O)c1n[nH]c2c1CCC2)=C\c1ccccc1,CID1604499,,,,,,,,,,,0.0,,,,,,
COc1ccc(OC)c(NC(=O)c2cc(S(=O)(=O)NCc3ccco3)ccc2F)c1,CID3240321,,,,,,,0.0,0.0,,,,,0.0,,,,
Cc1cccc(NC(=O)c2cc(S(=O)(=O)NCc3ccco3)ccc2F)c1C,CID3243844,,,,,,,,,0.0,,,,,,,0.0,
Cc1cc(C)cc(NC(=O)c2cc(S(=O)(=O)NCc3ccco3)ccc2F)c1,CID3238497,,0.0,0.0,,,0.0,,,,,,,,,,0.0,
O=C(Nc1ccccc1)c1cccc(S(=O)(=O)NCc2ccco2)c1,CID1368140,,,,,,0.0,,,,,0.0,,,,,,
CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1NCc1ccco1,CID1167246,,,,0.0,,,,,,,,0.0,,,,0.0,
CCOC(=O)c1ccc2ncc(C(=O)OCC)c(NCc3ccco3)c2c1,CID645564,0.0,,,0.0,,,0.0,,0.0,,,,,,,,
CCOC(=O)c1cnc2c(C)cccc2c1NCc1ccco1,CID702630,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1cnc2c(C(=O)OC)cccc2c1NCc1ccco1,CID1078123,,,,,,,,,,,,0.0,0.0,,,0.0,
O=C(Cc1ccccc1)Nc1nc2ccccc2[nH]1,CID2583589,,,0.0,0.0,,,,,,,,0.0,0.0,,,,
O=C(Cc1ccc(Cl)cc1)Nc1nc2ccccc2[nH]1,CID2164295,,,,,,,,,,,,,,,0.0,,
COc1cccc(CC(=O)Nc2nc3ccccc3[nH]2)c1,CID2081692,,,,,,,,,,,,,,,0.0,,
Cc1ccc(CC(=O)Nc2nc3ccccc3[nH]2)cc1C,CID2088873,,,,,,0.0,,,,,,0.0,,0.0,,,
NC(=O)CSc1nnnn1-c1ccc2c(c1)OCCO2,CID859370,,,,,,,,,,0.0,,,,,,,
CNC(=O)CSc1nnnn1-c1ccc2c(c1)OCCO2,CID859372,,,,,,,,,,,,0.0,,,,,
O=C(O)CSc1nnnn1-c1ccc2c(c1)OCCO2,CID858303,,,,,,,,,,,,,,0.0,,,
CC(C)OC(=O)CSc1nnnn1-c1ccc2c(c1)OCCO2,CID645572,,0.0,,,,,,0.0,0.0,,0.0,,,,,0.0,0.0
N#Cc1cn(CC(=O)NCc2cccnc2)c2ccccc12,CID894234,,0.0,0.0,,,,,0.0,,,,0.0,0.0,,0.0,,
CC(=O)c1cn(CC(=O)NCc2cccnc2)c2ccccc12,CID1095442,,,0.0,,0.0,,,0.0,0.0,,,,,,,,
Cc1c(C#N)c2ccccc2n1CC(=O)NCc1cccnc1,CID648082,,0.0,0.0,0.0,,,,0.0,,,,0.0,,,,,
CCC(=O)c1cn(CC(=O)NCc2cccnc2)c2ccccc12,CID1251375,,,0.0,,0.0,,,,0.0,,,,,,,,
COc1ccc2c(c1)N(C)C(=O)CC(c1ccccc1)=N2,CID665106,0.0,,,,,,,,,,,,0.0,,,,
O=C1CC(c2ccccc2)=Nc2ccccc2N1,CID177746,,,,,,,,,,0.0,,,,,,,
Cc1ccc2c(c1)NC(=O)CC(c1ccccc1)=N2,CID353213,,,,,,,,,,0.0,,0.0,,,,,
COc1ccc2c(c1)NC(=O)CC(c1ccccc1)=N2,CID4280965,,,,,,,,,,,,,,,0.0,,
O=S(=O)(c1ccc(-c2cn3ccccc3n2)cc1)N1CCOCC1,CID696014,,,,,0.0,,,,,,0.0,,0.0,,,0.0,
Cc1cccn2cc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)nc12,CID1156032,0.0,0.0,,0.0,0.0,,,0.0,0.0,,,,,,,,
Cc1ccn2cc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)nc2c1,CID1156033,0.0,,0.0,,0.0,,0.0,,,,0.0,,0.0,,,,0.0
Cc1ccc2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cn2c1,CID1156035,0.0,0.0,0.0,,0.0,,,0.0,,,,,0.0,,,,0.0
Cc1cc2c(cc1C)C(=O)NC(C)(C)C2,CID818948,,,,0.0,,,,,,0.0,,,,,,,
COc1ccc(OC)c2c1CC(C)(C)NC2=O,CID4001839,,,,,,,,,,,,,0.0,,,0.0,
CC(C)c1ccc2c(c1)C(=O)NC(C)(C)C2,CID3424071,,,0.0,0.0,,,,,,,,,,,,0.0,
CC1(C)Cc2ccccc2C(=O)N1,CID658147,,,,,,,,0.0,,,,,0.0,,0.0,0.0,
CCOC(=O)c1cc(=O)cc(C(=O)OCC)o1,CID316274,,,,,,0.0,,,,,,,,,,,
COc1coc(C(O)CN)cc1=O,CID4328462,,,,,,,,,,,,,,,0.0,,
COC(=O)c1cc(=O)cc(C(=O)OC)o1,CID830685,,,,,,,,,,,,0.0,,,,,
COC(=O)c1c(C)oc(C)c(C(=O)OC)c1=O,CID957562,,,,,,,,,,0.0,,,0.0,,,,
C=C(C)c1cccc(C(C)(C)NC(=O)N2CCN(CC)CC2)c1,CID753415,,,,,,,0.0,,,,,,0.0,,,0.0,
C=C(C)c1cccc(C(C)(C)NC(=O)N2CCN(CC(N)=O)CC2)c1,CID753260,0.0,,,,,,,0.0,0.0,,0.0,,0.0,,,0.0,
C=C(C)c1ccc(C(C)(C)NC(=O)N2CCN(C)CC2)cc1,CID657479,,,,0.0,,,0.0,,,,,,,,,0.0,
C=C(C)c1cccc(C(C)(C)NC(=O)N2CCN(C)CC2)c1,CID2879910,,,,0.0,,,,,,,,,,,,0.0,
O=C(Nc1nc2ccccc2[nH]1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1,CID2084340,,,,,,,,,0.0,,0.0,,,,,,
COc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1S(=O)(=O)N1CCCC1,CID2583450,,,,,,,,,,,0.0,,,,0.0,,
CCCn1c(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)nc2ccccc21,CID3000022,,,0.0,,,0.0,0.0,,,,0.0,,0.0,,,,
CCCn1c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)nc2ccccc21,CID2998537,0.0,0.0,,0.0,0.0,,,,0.0,,0.0,,,,,,0.0
CCc1cn(C2CC(O)C(CO)O2)c(=O)[nH]c1=O,CID66377,,,,,,,,,,,,,,0.0,,,
O=c1[nH]c(=O)n(C2CCCO2)cc1Br,CID2982085,,,,,,,,,0.0,,,,,,,0.0,
O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1C(F)(F)F,CID6256,,,,,,,,,0.0,,,,,,,,
Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)[nH]c1=O,CID35370,,,,,,,0.0,,,,,,,,,,
COC(=O)/C(=C/c1ccco1)NC(=O)c1ccco1,CID2179135,,,,,,,,,,,,,,0.0,,,
C=CCNC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(Br)o1,CID2293226,,,,,,,,,,,,0.0,,,,,
NC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(Br)o1,CID1714070,,,,,,,,,,,,0.0,,,,,
CCOC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(Br)o1,CID2192029,,,,,,,,,,,,,,0.0,,,
COc1ccc(Cn2c(C)c(C)c(C#N)c2NC(=O)Nc2cccc(C)c2)cc1,CID1477455,,,,,,0.0,,,,,0.0,,,,,,
COc1ccc(Cn2c(C)c(C)c(C#N)c2NC(=O)Nc2cccc(Cl)c2)cc1,CID1477453,,,,,,,,,,0.0,0.0,,,,,,
COc1ccc(Cn2c(C)c(C)c(C#N)c2NC(=O)Nc2ccccc2)cc1,CID1477391,,,,,,,,,0.0,,0.0,,,,,,
COc1ccc(Cn2c(C)c(C)c(C#N)c2NC(=O)Nc2ccc(F)cc2)cc1,CID4254577,,,,,,,,,,,,0.0,,,,,
Cc1ccc2c(c1)N(CC(=O)N1CCCc3ccccc31)C(=O)CO2,CID653584,,,0.0,,,,0.0,,,0.0,,,,,,,
O=C(CN1C(=O)COc2ccccc21)N1CCCc2ccccc21,CID647789,,,,,,,0.0,,,,,,,0.0,,,
Cc1ccc2c(c1)N(CC(=O)N1CCCc3ccccc31)C(=O)C(C)O2,CID646486,,,,,,,,0.0,,,,,0.0,,,,0.0
CC1Oc2ccccc2N(CC(=O)N2CCCc3ccccc32)C1=O,CID656204,,0.0,,0.0,,,,,,0.0,,,0.0,,,,0.0
O=C(Nc1nccs1)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1,CID1107088,,,,,,,,,0.0,,,,,,,,
O=C(Nc1nccs1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1,CID2364058,,,,,,,,,0.0,,,0.0,,,,0.0,
CCOC(=O)c1sc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)nc1C,CID2361864,,,,,0.0,,,,,,,,0.0,,,,
O=C(Nc1nccs1)c1cccc(S(=O)(=O)N2CCOCC2)c1,CID1102157,,0.0,0.0,,0.0,,,,,0.0,,,,,,,
CCOC(=O)c1ccc(-n2c(N)c(C(=O)NCC3CCCO3)sc2=S)cc1,CID4283445,,,,,,0.0,,,,,,,,,,,
Nc1c(C(=O)NCC2CCCO2)sc(=S)n1-c1ccccc1,CID2927040,,,0.0,,,,0.0,,0.0,0.0,,,0.0,,,,
CCOc1ccc(-n2c(N)c(C(=O)NCC3CCCO3)sc2=S)cc1,CID2938449,,,,,,,,,0.0,0.0,0.0,,,,,,
COc1ccc(-n2c(N)c(C(=O)NCC3CCCO3)sc2=S)cc1,CID2940044,,,,0.0,0.0,,,0.0,0.0,0.0,,,0.0,,,,
CC(C)OC(=O)CSc1nnc(-c2cccnc2)n1N,CID663179,0.0,0.0,,0.0,,,,0.0,,0.0,,0.0,0.0,,,0.0,
Cn1c(SCC(=O)C(C)(C)C)nnc1-c1cccnc1,CID663184,,0.0,,,,0.0,0.0,,,,0.0,,,,,,
CCn1c(SCCC(=O)O)nnc1-c1cccnc1,CID648540,,0.0,0.0,,,0.0,,,,,,,,,,,
CCn1c(SCC(=O)C(C)(C)C)nnc1-c1cccnc1,CID936573,,0.0,,,,,,,,,,0.0,,,,0.0,
CCOC(=O)CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCN(C)C3,CID1130551,,,,,,,,,,,0.0,,,,,,
COC(=O)CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCN(C)C3,CID658098,0.0,,0.0,0.0,0.0,0.0,0.0,,,0.0,,,,,0.0,,
CCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCN(C)C3,CID658203,,,,,0.0,,,,,,,,,,,,
CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCN(C)C3,CID658136,,,0.0,,0.0,,0.0,,,0.0,,,,,,,
Clc1ccc2[nH]c3c(N4CCC5(CC4)OCCO5)ncnc3c2c1,CID3601679,,,,,,0.0,,,,,,,,,,,
Cc1ccc2c(c1)c1ncnc(N3CCC4(CC3)OCCO4)c1n2C,CID665517,,0.0,,,,0.0,,,,,,,,,,,
Cc1cccc2[nH]c3c(N4CCC5(CC4)OCCO5)ncnc3c12,CID941420,,,,,,0.0,,,,,,,,,,,
c1ccc2c(c1)[nH]c1c(N3CCC4(CC3)OCCO4)ncnc12,CID659887,,,0.0,0.0,,,,,,,,,,0.0,,,
CCOC(=O)Nc1ccc2nc3n(c(=O)c2c1)CCCCC3,CID4080399,,,,,,,,,,,,,,0.0,,,
O=c1c2ccccc2nc2n1CCCCC2,CID78144,,,,,,,,,,,,,,,,0.0,
CCN(CC)C(=S)Nc1ccc2nc3n(c(=O)c2c1)CCCCC3,CID4074540,,,,,,,,,,,,,,,0.0,,
O=c1c2cc(Br)ccc2nc2n1CCCCC2,CID722608,,,,,,,,,0.0,,0.0,0.0,,,,,
Cc1cc(=O)oc2cc(OCC(O)CN3CCN(c4ccc(F)cc4)CC3)ccc12,CID2997818,,,0.0,,,,,,,,,,,,,,
Cc1ccccc1N1CCN(CCCOc2ccc3c(C)cc(=O)oc3c2)CC1,CID1820316,,,,,,,,,0.0,,0.0,,,,,,
COc1ccccc1N1CCN(CC(O)COc2ccc3c(C)cc(=O)oc3c2)CC1,CID2998232,,,,,,,,,,,,0.0,,,,,0.0
CCOc1ccccc1N1CCN(CC(O)COc2ccc3c(C)cc(=O)oc3c2)CC1,CID2999233,,0.0,,,,,,,,0.0,,,,,,,
COc1cccc(-c2[nH]c(-c3ccccc3)nc(=O)c2C#N)c1,CID2767110,,,,,,0.0,,,,,,0.0,,,,,
COc1ccc(-c2[nH]c(-c3cccc(C)c3)nc(=O)c2C#N)cc1,CID1487106,,,,,,,,,,,,0.0,,,,,
Cc1c(-c2ccccc2)[nH]c(-c2ccccc2)nc1=O,CID824775,,,,,,,,,,,,,,,0.0,,
COc1ccc(-c2[nH]c(-c3ccccc3)nc(=O)c2C#N)cc1,CID1480506,,,,,,,,,,,,,,,0.0,,
Cc1ccc(Cc2nnc3n(-c4ccccc4)nc(C(=O)c4ccccc4)n3c2=O)cc1,CID979983,,,,,,,,,,,,0.0,,,0.0,,
O=C(c1ccccc1)c1nn(-c2ccccc2)c2nnc(Cc3ccccc3)c(=O)n12,CID979987,,,,,,,,,,,,0.0,,,,,
Cc1ccc(Cc2nnc3n(-c4cccc(C)c4)nc(C(=O)c4ccccc4)n3c2=O)cc1,CID979985,,,,,,,,,,,0.0,0.0,,,,,
Cc1ccc(-n2nc(C(=O)c3ccccc3)n3c(=O)c(Cc4ccccc4)nnc23)cc1,CID979990,,,,,,,,,,,,0.0,,,,,
COc1ccc(NC(=O)C23CC4CC(C2)CC(n2cnc(Br)n2)(C4)C3)c(OC)c1,CID4191060,,,,,,,,,,,,,,0.0,,,
CC(=O)c1cccc(NC(=O)C23CC4CC(C2)CC(n2cncn2)(C4)C3)c1,CID4575786,,,,,,,,,,,,,,,0.0,,
COc1ccc(NC(=O)C23CC4CC(C2)CC(n2cnc(Br)n2)(C4)C3)cc1Cl,CID4076054,,,,,,,,,,,,,,,0.0,,
O=C(O)c1cccc(NC(=O)C23CC4CC(C2)CC(n2cnc(Cl)n2)(C4)C3)c1,CID3244438,,,,,,0.0,,,,,0.0,,,,,,
O=C(c1cccc(S(=O)(=O)N2CCCCC2)c1)N1CCCCC1,CID683389,0.0,,,,,,,,,,0.0,,,,,,0.0
O=C(c1cc(S(=O)(=O)N2CCCCC2)ccc1F)N1CCCCC1,CID3242119,,,,,,,,,,,,,0.0,,,,0.0
CCOC(=O)C1CCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)C1,CID3492189,,,,,,,,,,,,,,0.0,,,
CC1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CC1,CID1087717,,,,,,,,0.0,,,,,0.0,0.0,,,0.0
COc1ccc(C2=NCC(=O)N(CC(=O)NCc3ccco3)c3sc4c(c32)CCCC4)cc1,CID656271,0.0,,,0.0,0.0,0.0,,,,,0.0,,,,,,0.0
Cc1cccc(C2=NCC(=O)N(CC(=O)NCc3ccco3)c3sc4c(c32)CCCC4)c1,CID655063,0.0,,,,0.0,,,0.0,0.0,,,,,,,,0.0
COc1ccc(C2=NCC(=O)N(CC(=O)NCc3ccco3)c3sc4c(c32)CCCC4)cc1OC,CID645102,,,,,0.0,,,,,,,,,,,,0.0
Cc1ccccc1C1=NCC(=O)N(CC(=O)NCc2ccco2)c2sc3c(c21)CCCC3,CID647658,0.0,,,,0.0,,,,,,,,0.0,,,,
CCN1C(=O)/C(=C/c2cn[nH]c2-c2ccc(C)cc2)SC1=S,CID1767675,,,,,,,,,,,,,,0.0,,,
CCCCN1C(=O)/C(=C/c2cn[nH]c2-c2ccccc2)SC1=S,CID1983674,,,,,,,,,,,,,,,0.0,,
CC(C)CN1C(=O)/C(=C/c2cn[nH]c2-c2ccccc2)SC1=S,CID1981622,,,,,,,,,,,,,,0.0,,,
CCCN1C(=O)/C(=C/c2cn[nH]c2-c2ccccc2)SC1=S,CID1604538,,,,,,,,,,,,,,0.0,,,
O=C(O/N=C1\CCSc2ccccc21)c1ccccc1,CID2890550,,,,,,0.0,,,,,,,,0.0,,,
O=C(O/N=C1\CCSc2ccccc21)c1ccc(F)cc1,CID746462,,,,,,0.0,,,,,,0.0,,,,,
Cc1cccc(C(=O)O/N=C2\CCSc3ccc(C)cc32)c1,CID2766063,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C(=O)O/N=C2\CCSc3ccc(C)cc32)cc1,CID1482823,,,,,,,,,,,,0.0,,0.0,,,
CCc1ccccc1OCC(=O)NC1CCCC1,CID724783,,,0.0,,,,,,0.0,0.0,0.0,,,,,,
Cc1ccc(OCC(=O)NC2CCCC2)c(C)c1,CID876444,,,,,,0.0,,,0.0,,,,,,,,
Cc1ccccc1OC(C)C(=O)NC1CCCC1,CID2978089,,0.0,,,,,,0.0,0.0,0.0,,,,0.0,,,
Cc1cc(Cl)ccc1OCC(=O)NC1CCCC1,CID871922,,,,,,,,,,0.0,,,,,,,
CC1(C)CC(=O)C=C(NNC(=O)c2ccccc2O)C1,CID749340,,,,,,,,,,,,0.0,,,,,
COc1cccc(C(=O)NNC2=CC(=O)CC(C)(C)C2)c1,CID781779,,,,,,,,,,,,0.0,,,0.0,,
COc1ccccc1C(=O)NNC1=CC(=O)CC(C)(C)C1,CID3951735,,,,,,0.0,,,,,,,,,,,
CC1(C)CC(=O)C=C(NNC(=O)c2ccc(N)cc2)C1,CID781782,,,,,,,,,,,,,,,0.0,,
Cc1cc(NC(=O)/C=C/c2ccccc2)no1,CID868964,,,,,,0.0,,,,0.0,,,,,,,
C/C(=C\C(=O)Nc1cc(C)on1)c1ccccc1,CID891479,,,,,0.0,,,0.0,0.0,0.0,,,,,,0.0,
C/C(=C\c1ccccc1)C(=O)Nc1cc(C)on1,CID890161,,,,,,,,,0.0,0.0,,,,,,,
Cc1ccc(/C=C/C(=O)Nc2cc(C)on2)cc1,CID898593,,,,,,,,,0.0,0.0,0.0,,,,,,
O=C(CSc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2)NCC1CCCO1,CID3244064,,,,,0.0,0.0,,,,,,,,,,,
Cc1ccc(-n2c(SCC(=O)NCC3CCCO3)nc3c(c2=O)SCC3)cc1,CID3241698,,,,,0.0,,,,,0.0,0.0,,,,,0.0,
O=C(CSc1nc2c(c(=O)n1-c1ccc(Br)cc1)SCC2)NCC1CCCO1,CID3245511,,,,,,,,,,,,,,,,0.0,
O=C(CSc1nc2c(c(=O)n1-c1ccc(Cl)cc1)SCC2)NCC1CCCO1,CID3236172,,,,,,,,,0.0,,,,,,,,
CC1CCCCN1CCNC(=O)Cn1nc(-c2ccccc2)ccc1=O,CID3244063,,,,,,,,0.0,,,,,,0.0,,,
CC1CCCC(C)N1CCNC(=O)Cn1nc(-c2ccccc2)ccc1=O,CID3244753,,0.0,,,,0.0,,0.0,,,,,,,,,0.0
Cc1ccc(-c2ccc(=O)n(CC(=O)NCCN3C(C)CCCC3C)n2)cc1,CID3237659,,0.0,0.0,,,0.0,,0.0,,,,,,,0.0,,0.0
Cc1ccc(-c2ccc(=O)n(CC(=O)NCCN3CCCCC3C)n2)cc1,CID3238346,,,,,,0.0,,,,,,,,,,,
COc1ccc2c(c1)C1(N=c3ccccc3=C3Nc4ccccc4N31)C(=O)N2,CID5389935,,,,,,,,0.0,,,,,0.0,,,,
CN1C(=O)C2(N=c3ccccc3=C3Nc4ccccc4N32)c2ccccc21,CID5389931,,,0.0,,,,,,,,,,,,,,
CCN1C(=O)C2(N=c3ccccc3=C3Nc4ccccc4N32)c2cc(OC)ccc21,CID5389922,,0.0,,,,0.0,,,,,,,,,,0.0,
O=C1Nc2ccccc2C12N=c1ccccc1=C1Nc3ccccc3N12,CID5740866,,,0.0,,,,,,,,,,,,,,
c1cncc(-c2noc(-c3ccco3)n2)c1,CID577823,,,0.0,,,,,0.0,,,,,,,,,0.0
CCOc1nc(C)ccc1-c1noc(-c2ccco2)n1,CID852899,,,,0.0,,,,0.0,,,,,0.0,,,,
COc1nc(C)ccc1-c1noc(-c2ccco2)n1,CID852903,,0.0,,,,,0.0,,,,,,0.0,,0.0,,
Brc1ccc(-c2nc(-c3cccnc3)no2)o1,CID666421,0.0,,,,,,,,0.0,,0.0,0.0,,,,0.0,0.0
Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCC4(CC3)OCCO4)o2)cc1,CID3242839,,0.0,,,0.0,,,0.0,,1.0,,,,,,,0.0
O=C(c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1)N1CCC2(CC1)OCCO2,CID3237898,,,,,,,,,0.0,,,,,0.0,,,
O=C(c1ccc(CS(=O)(=O)c2ccccc2)o1)N1CCC2(CC1)OCCO2,CID3242171,,,0.0,,0.0,,0.0,0.0,,,,,0.0,,,0.0,
COc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCC4(CC3)OCCO4)o2)cc1,CID3244299,,,,,0.0,,,0.0,,,,,,,,0.0,
CCc1ccc(NC(=O)NCCN2CCc3ccccc3C2)cc1,CID3242835,0.0,,,,,,,0.0,,,,,0.0,,,0.0,
COc1ccc(NC(=O)NCCN2CCc3ccccc3C2)cc1,CID1248570,0.0,,,,,,,,,,,,,,,0.0,
CSc1ccc(NC(=O)NCCN2CCc3ccccc3C2)cc1,CID1243938,,,,,,,,,,,0.0,,,,,,
O=C(NCCN1CCc2ccccc2C1)Nc1ccc(F)cc1,CID972711,,0.0,0.0,,,,,0.0,,,,,,,,0.0,
CCOC(=O)CSc1nc2ccccc2n2cnnc12,CID1250959,,0.0,0.0,,,,,,,0.0,,,,,,,
Cc1nnc2c(NC(C)C)nc3ccccc3n12,CID661534,,0.0,,0.0,,,0.0,,,,,0.0,,,,,0.0
CCCN(CCC)c1nc2ccccc2n2c(C)nnc12,CID802075,,,0.0,,,,,,,0.0,,,,,,,
CCN(CC)c1nc2ccccc2n2cnnc12,CID654516,,0.0,,,,,0.0,,,,,,,,,,
COc1ccccc1N1CCN(C(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2)CC1,CID2942699,,0.0,0.0,,0.0,,,0.0,,,,,,,,,
O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)N1CCN(c2ccc(F)cc2)CC1,CID2942855,0.0,0.0,,,,0.0,,,,,0.0,,0.0,,,,
O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)N1CCN(c2cccc(Cl)c2)CC1,CID1005987,,,,,,,,,,,,0.0,,,,,
O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl)N1CCN(c2ccccc2)CC1,CID2964002,,,,,,,,,,,,0.0,,,,,
COc1ccc(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1,CID654019,,,,,0.0,,0.0,,0.0,,,,0.0,,,,
CC1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCc3ccccc3)cc2)CC1,CID3184659,,,,,,,,,0.0,,0.0,,,,,,
O=S(=O)(NCc1ccccc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1,CID653040,,,,,0.0,,,,0.0,0.0,0.0,,0.0,,0.0,,
CC1CCCC(C)N1S(=O)(=O)c1ccc(S(=O)(=O)NCc2ccccc2)cc1,CID3226868,,,,,,,,,,,0.0,,,0.0,,,
Cc1ccc(N2C(=O)C3C(C2=O)C(C(=O)c2ccccc2)N2CCCC32)cc1,CID662156,,,,,,,,,,0.0,,,,,0.0,,
Cc1ccc(N2C(=O)C3C(C2=O)C(C(=O)c2ccc(Cl)cc2)N2CCCC32)cc1,CID665751,,,,,,,,,,,,,,,,0.0,
CC(=O)c1ccc(N2C(=O)C3C(C2=O)C(C(=O)c2ccc(Cl)cc2)N2CCCC32)cc1,CID665589,,,,,,,,,,,,,0.0,,,0.0,
O=C(c1ccc(Cl)cc1)C1C2C(=O)N(c3ccccc3)C(=O)C2C2CCCN21,CID665431,,,,,,,,,,,,,,,0.0,,
CN1CCN(S(=O)(=O)c2ccc(Br)s2)CC1,CID662157,,,,,,,,,0.0,,,,,,,,
CCN1CCN(S(=O)(=O)c2ccc(Br)s2)CC1,CID972089,,,,,,,,,0.0,,,,,,,0.0,
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1,CID1306572,,,,,,,,,0.0,,,,,,,,
CCOC(=O)N1CCN(S(=O)(=O)c2cccs2)CC1,CID718414,,0.0,,,0.0,,,,,,,,,,,,
COc1ccc(CCn2c(=N)c(C#N)cc3c(=O)n4ccccc4nc32)cc1,CID662152,,0.0,0.0,,,,0.0,,,,,,,,,,
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCc2ccc(OC)c(OC)c2)c1=N,CID666193,0.0,,,,,,,0.0,,,,,,,,,
CCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCc2ccccc2)c1=N,CID660368,,,,0.0,,,0.0,,,,,,,,,,
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCc2ccccc2)c1=N,CID660156,0.0,,,,,,,0.0,,,,,0.0,,,,
CCN(CC)C(=O)CSc1nnc(C(Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)o1,CID662153,,,,,,0.0,0.0,0.0,,,,,,,,,
CN(C)C(=O)CSc1nnc(C(Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)o1,CID663256,,,,,0.0,,,0.0,,,,,0.0,,,,
CCSc1nnc(C(Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)o1,CID1985257,,,,,,,,,,,,,,,0.0,,
CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)c1nnc(SCC(N)=O)o1,CID662616,,0.0,,0.0,0.0,,,,,,,,,,,0.0,
Cc1ccccc1OCCCCCn1ccnc1,CID3841658,0.0,,,0.0,,,,,,,,,,,,0.0,0.0
Cc1cccc(OCCCCCn2ccnc2)c1,CID3787293,0.0,,,,,0.0,,0.0,,,,,,,,0.0,0.0
Cc1cccc(OCCCCCn2ccnc2)c1C,CID2841299,0.0,,0.0,,,0.0,,,,,,,,,,0.0,
Cc1ccc(C)c(OCCCCCn2ccnc2)c1,CID4993461,0.0,,,,,,,0.0,,,,,,,,0.0,
O=C1CC(N2CCN(Cc3ccc4c(c3)OCO4)CC2)C(=O)N1c1ccccc1,CID2839673,0.0,,,,,,0.0,,0.0,0.0,0.0,0.0,,,,,
CC(=O)Nc1ccc(N2C(=O)CC(N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2=O)cc1,CID2926960,,,,,,,,,,,0.0,,,,,,
Cc1cccc(N2C(=O)CC(N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2=O)c1,CID2877135,0.0,,0.0,0.0,0.0,,0.0,0.0,0.0,0.0,,,,,,,
Cc1ccc(C)c(N2C(=O)CC(N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2=O)c1,CID2913839,0.0,,,,0.0,,0.0,,0.0,0.0,0.0,0.0,0.0,,,,
COc1cc(OC)cc(C(=O)NC(=S)NCCc2ccccc2)c1,CID1242397,,,,,,0.0,,,,,,,,,,,
O=C(NC(=S)NCCc1ccccc1)c1ccccc1,CID692092,,,,,,0.0,,,,,,0.0,,,,,
COc1ccc(CCNC(=S)NC(=O)c2ccc(Br)cc2)cc1OC,CID1102227,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1C(=O)NC(=S)NCCc1ccccc1,CID797571,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1c(C)nc2c(c(SC)nn2-c2ccccc2)c1N,CID852514,,,,,,0.0,,,,,,,,,,,
CCc1nc2c(c(SC)nn2-c2ccccc2)c(N)c1C(=O)OC,CID852515,,,,,,0.0,,,,,,,,,,,
Cc1cc(C)c2c(C)nn(-c3ccccc3)c2n1,CID754993,,,,,,0.0,,,,,,,,,0.0,,
Cc1nc2c(c(C)nn2-c2ccccc2)c(C)c1Cl,CID2972770,,0.0,,0.0,,,,,,,,,0.0,,,0.0,
O=C(NCc1ccccc1Cl)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1,CID3240083,0.0,,,,0.0,,,,0.0,0.0,,0.0,,,,0.0,0.0
CCc1ccc(CNC(=O)C2CCN(S(=O)(=O)N3CCC4(CC3)OCCO4)CC2)cc1,CID5068930,,,,,,,,,,,,,,,0.0,,
O=C(NCc1ccc(F)cc1Cl)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1,CID3238587,0.0,,0.0,,,,0.0,,0.0,,0.0,0.0,,,,,
O=C(NCc1ccc(F)cc1)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1,CID3243144,,,,,,0.0,,,,,,,,,,,
O=C(CSc1ncnc2sc3c(c12)CCCC3)c1ccccc1,CID717816,,,,,,,,,,0.0,,,,,,,
Cc1ccc(C(=O)CSc2ncnc3sc4c(c23)CCCC4)cc1,CID995281,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C(=O)CSc2ncnc3sc4c(c23)CCC(C)C4)cc1,CID2792060,,,,,,,,,,0.0,,,,,,,
CC1CCc2c(sc3ncnc(SCC(=O)c4ccccc4)c23)C1,CID2792203,,,,,,,,,,0.0,,,,,,,
O=C(Nc1ccccc1)N(C1=NCCC1)c1ccc(OC(F)F)cc1,CID659702,0.0,,,0.0,,,0.0,,,,,0.0,,,,,0.0
COc1ccc(N(C(=O)Nc2ccc(Cl)cc2)C2=NCCC2)cc1,CID929393,0.0,,0.0,,,,0.0,,,,,,,,,0.0,0.0
CCOc1ccc(N(C(=O)Nc2ccccc2)C2=NCCC2)cc1,CID921340,,,,,,,,,,,0.0,0.0,,,,,
O=C(Nc1ccc(Cl)cc1)N(C1=NCCC1)c1ccc(OC(F)F)cc1,CID1877174,,,,,,,,,0.0,,,,,,,,
Cc1cc(C)n(C(=O)C(C)N2C(=O)c3ccccc3C2=O)n1,CID2854980,,,,,,,,0.0,,0.0,,,,,,,
Cc1nn(C(=O)C(C)N2C(=O)c3ccccc3C2=O)c(C)c1Br,CID2865191,0.0,,,,,,,,0.0,,0.0,0.0,,,,,
Cc1nn(C(=O)CN2C(=O)c3ccccc3C2=O)c(C)c1Br,CID1124476,0.0,,,,,,0.0,,0.0,,,0.0,,,,,0.0
Cc1cc(C)n(C(=O)CN2C(=O)c3ccccc3C2=O)n1,CID749201,,,,,,,,0.0,,,,,0.0,,,,0.0
Cc1cc(NC(=O)CSc2nc(-c3ccccc3)cs2)no1,CID1235819,0.0,0.0,0.0,,0.0,,0.0,,,0.0,0.0,,0.0,0.0,,,
Cc1cc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)no1,CID1235821,,,,,,,,,,,,,,0.0,,,
Cc1ccc(-c2csc(SCC(=O)Nc3cc(C)on3)n2)cc1,CID1235820,,,,,,,,,0.0,0.0,,,,0.0,0.0,,
Cc1cc(NC(=O)CSc2nc(-c3ccc(F)cc3)cs2)no1,CID2591156,0.0,0.0,,0.0,0.0,,0.0,,,,0.0,,,,,,
CC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1ncn[nH]1,CID1119557,,,,,,,,,,,,,,,,0.0,0.0
CC(C)(C)c1ccccc1OCC(=O)Nc1ncn[nH]1,CID719144,,0.0,,0.0,,,,,,,,0.0,,,0.0,0.0,
Cc1cccc(C)c1OCC(=O)Nc1ncn[nH]1,CID650512,,,,,,,,0.0,0.0,,,0.0,0.0,,0.0,,
CCc1ccc(OCC(=O)Nc2ncn[nH]2)cc1,CID698942,,,,,,,,,,,,,,0.0,,,
Cc1c(C(=O)NCc2cccs2)oc2ccccc12,CID1247208,,,,,0.0,,0.0,0.0,,0.0,,,,,,,
CC(NC(=O)c1cc2ccccc2o1)c1cccs1,CID3244519,,,,,0.0,0.0,,,,,,,,,,,
Cc1c(C(=O)NCc2cccs2)oc2ccc(Br)cc12,CID2498342,,,,,,,,,,,,,,0.0,,,
O=C(NCc1cccs1)c1cc2ccccc2o1,CID2675152,,,,0.0,0.0,,0.0,0.0,,0.0,,0.0,0.0,,,,
Cc1nnc(SCc2cc(=O)nc(Nc3nc(C)c4ccccc4n3)[nH]2)s1,CID1825638,,0.0,,,0.0,,,,,0.0,,,,,,,
Cc1ccc2c(C)nc(Nc3nc(=O)cc(CSc4nnc(C)s4)[nH]3)nc2c1,CID2030314,,,,,,,,,,,,0.0,,,,,
COc1cccc2c(C)nc(Nc3nc(=O)cc(CSc4nnc(C)s4)[nH]3)nc12,CID1825648,,,0.0,0.0,,,,,,,0.0,0.0,0.0,,,0.0,0.0
COc1ccc2nc(Nc3nc(=O)cc(CSc4nnc(C)s4)[nH]3)nc(C)c2c1,CID1825649,,,,,,,,,,,,,,0.0,,,
COCCn1nnnc1C(c1cc2cc(C)cc(C)c2[nH]c1=O)N1CCN(c2ccccc2F)CC1,CID646864,,,0.0,,,,,,,,0.0,,,,,,
COCCn1nnnc1C(c1cc2cccc(C)c2[nH]c1=O)N1CCN(c2ccccc2F)CC1,CID647251,,,,,,,0.0,,,0.0,,,,,,,
CCc1ccc2[nH]c(=O)c(C(c3nnnn3CCOC)N3CCN(c4ccccc4)CC3)cc2c1,CID649350,0.0,,,,,,,,,0.0,0.0,,,,,,
CCc1ccc2[nH]c(=O)c(C(c3nnnn3CCOC)N3CCN(c4ccccc4F)CC3)cc2c1,CID655004,,,,,,,,,,,,,0.0,0.0,,,
COCC(=O)Nc1nnc(C2CCCCC2)s1,CID847066,,0.0,0.0,,,,0.0,0.0,,,,,0.0,,,0.0,0.0
C/C=C/C(=O)Nc1nnc(C2CCCCC2)s1,CID1080974,,,,,,,,,,,,,,,0.0,,
CCOCC(=O)Nc1nnc(C2CCCCC2)s1,CID2162930,,0.0,,,,,,,,0.0,0.0,,0.0,,,0.0,0.0
CCOC(=O)C(=O)Nc1nnc(C2CCCCC2)s1,CID2180928,,,,,,,,,0.0,0.0,,,,,,,
Cc1ccnc(-n2c(C)nc3ccccc3c2=O)c1,CID716782,,0.0,,,,,,0.0,,,,,0.0,,0.0,,
Cc1nc2ccccc2c(=O)n1-c1ccccn1,CID64049,,,,,,0.0,,0.0,,,,,0.0,,,,
Cc1cccc(-n2c(C)nc3ccccc3c2=O)n1,CID828460,,,,,,,,,,0.0,,,,,,,
Cc1cccnc1-n1c(C)nc2ccccc2c1=O,CID63120,,,,,,,,,,0.0,0.0,,,,,,
CCOC(=O)C1=C(C)OC(N)=C(C(=O)OCC)C1c1cccnc1,CID658707,0.0,,,0.0,0.0,,,,,,,,,,,,
CCOC(=O)CC1=C(C(=O)OCC)C(c2cccnc2)C(C#N)=C(N)O1,CID2865198,,,,,,,,,,,,,,,0.0,,
CCOC(=O)C1=C(C(C)=O)C(c2cccnc2)C(C#N)=C(N)O1,CID658355,,0.0,0.0,,,,,,,,0.0,,0.0,,,,
COC(=O)C1=C(C)OC(N)=C(C#N)C1c1cccnc1,CID3112866,,,,,,,,,,,,0.0,,,,,
O=C(Cc1c(O)[nH]c2ccccc2c1=O)NCc1cccc(F)c1,CID658704,0.0,,,0.0,,,,,,,,,0.0,,0.0,,
O=C(Cc1c(O)[nH]c2ccccc2c1=O)NCc1ccccc1,CID758821,,,,,,,,,0.0,,,0.0,,,,,
O=C(Cc1c(O)[nH]c2ccccc2c1=O)NCc1ccc(F)cc1,CID646838,0.0,,,,,,,,,,,,0.0,,,,
O=C(Cc1c(O)[nH]c2ccccc2c1=O)NCc1ccccc1F,CID654414,0.0,,,,,,,,,,,,,,,,
CCOCCCNC(=O)C1CCN(S(=O)(=O)N2CCCCC2)CC1,CID3235671,,0.0,,0.0,,0.0,,0.0,0.0,,,,,,,0.0,0.0
CCOCCCNC(=O)C1CCN(S(=O)(=O)N2CC(C)CC(C)C2)CC1,CID3244851,,,,,,0.0,,0.0,,,,,,,,,0.0
CC(C)OCCCNC(=O)C1CCN(S(=O)(=O)N2CCCCC2)CC1,CID3245385,,,,,,,0.0,,,,,,,,,,
CCN(CC)CCNC(=O)C1CCN(S(=O)(=O)N2CCCCC2)CC1,CID3245025,,,0.0,,,,,,,,,,,,,,
Cc1n[nH]c(=O)nc1NC(C)c1ccccc1,CID2791379,,,,,,0.0,,,,,,,,0.0,0.0,,
Cc1n[nH]c(=O)nc1NCc1ccccc1Cl,CID654042,0.0,,,,,,,,,,,,,,,,0.0
Cc1n[nH]c(=O)nc1NCc1ccccc1,CID2789522,,0.0,,0.0,,,0.0,0.0,,,,0.0,,,0.0,,
Cc1n[nH]c(=O)nc1NCc1ccc(Cl)cc1,CID660310,,0.0,,,,,0.0,,,,,,,,0.0,0.0,0.0
COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CCN1CCN(c2ccccc2OC)CC1,CID663451,0.0,,,0.0,,,,0.0,0.0,0.0,0.0,,0.0,,,,0.0
COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CCN1CCN(c2cccc(Cl)c2)CC1,CID664659,,,,,0.0,,,,,,,,0.0,,,,
COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CCN1CCN(c2ccccc2F)CC1,CID664861,0.0,,0.0,,,,0.0,0.0,,,,,,,,,0.0
COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CCN1CCN(c2cccc(C)c2C)CC1,CID665190,0.0,0.0,,,,,,,0.0,,0.0,,,,,0.0,0.0
CN(C)c1ccc(-c2nn3c(-c4cccnc4)nnc3s2)cc1,CID663456,,,0.0,,0.0,,,,,,0.0,,0.0,,,0.0,
COc1cc(OC)c(-c2nn3c(-c4cccnc4)nnc3s2)cc1OC,CID663350,0.0,0.0,,,0.0,0.0,,0.0,,,,,,,,0.0,0.0
CCN(CC)c1ccc(-c2nn3c(-c4cccnc4)nnc3s2)cc1,CID662880,0.0,0.0,,0.0,0.0,0.0,,,,,,,,,,0.0,
COc1cc(-c2nn3c(-c4cccnc4)nnc3s2)cc(OC)c1OC,CID663279,0.0,,,,0.0,,,0.0,,,0.0,,,,,0.0,
CCc1ccc(NC(=O)CS(=O)CC(=O)NCC2OCCc3ccccc32)cc1,CID646035,,,0.0,,,,0.0,0.0,,0.0,,,,,,,
Cc1cccc(C)c1NC(=O)CS(=O)CC(=O)NCC1OCCc2ccccc21,CID3220562,,,,,,,,,,,,,,,0.0,,
O=C(CS(=O)CC(=O)Nc1ccc(Cl)cc1)NCC1OCCc2ccccc21,CID648769,,,,0.0,,,,,,,0.0,,,,,,0.0
Cc1ccc(NC(=O)CS(=O)CC(=O)NCC2OCCc3ccccc32)c(C)c1,CID650595,,,,,,,,,0.0,,,,,,,,
Cc1cc(C)n(-c2nc3c(c(=O)[nH]c(=O)n3C)n2C)n1,CID657468,,0.0,,0.0,,,,,,,,,,,,,
Cc1cc(C)n(-c2nc3c(c(=O)[nH]c(=O)n3C)n2C(C)C)n1,CID647430,,,0.0,,,,,0.0,,,,,,,,,
Cc1cc(C)n(-c2nc3c(c(=O)[nH]c(=O)n3C)n2CC(C)C)n1,CID648642,,,,,,,,0.0,,,,,,,,,
Cc1cc(C)n(-c2nc3c(c(=O)n(C)c(=O)n3C)n2C)n1,CID625599,,0.0,,0.0,,,,0.0,,,,,,,,,
COc1cccc(NC(=O)Cc2c(O)[nH]c3ccccc3c2=O)c1,CID657467,0.0,0.0,,,,0.0,0.0,,,,,,,,,,
CCOc1ccc(NC(=O)Cc2c(O)[nH]c3ccccc3c2=O)cc1,CID758820,,,,,,0.0,,,,,,0.0,,,,,
Cc1ccccc1NC(=O)Cc1c(O)[nH]c2ccccc2c1=O,CID4441338,,,,,,,,,,,,,,0.0,,,
COc1ccc(NC(=O)Cc2c(O)[nH]c3ccccc3c2=O)cc1,CID854377,,,,,,,,,,,,0.0,,,,,
CCN(CC)C(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)CS2=O,CID5309943,,,,,,,,,,,0.0,,,,,,
CCCN(CCC)C(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)CS2=O,CID5309749,,,,,,,,0.0,,,,,,,,,
CC(C)CCNC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)CS2=O,CID5308108,,,,,,,0.0,,,,,,,,,,
CCOCCCNC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)CS2=O,CID5307254,,,,0.0,,,,0.0,,,,,,,,0.0,
O=C1C2C3CCCC3=C3CCCC3C2C(=O)N1c1ccc(F)cc1,CID650964,,,,,,,,,,0.0,,,,,,,
O=C1C2C3CCCC3=C3CCCC3C2C(=O)N1c1ccc(Cl)cc1,CID652391,,,0.0,,,,,,,,,,,,,,0.0
O=C1C2C3CCCC3=C3CCCC3C2C(=O)N1c1cccc(Cl)c1,CID2873248,,,,,,,,,,,,,,,,,0.0
O=C1C2C3CCCC3=C3CCCC3C2C(=O)N1c1ccccc1,CID583938,,,,,,,,,0.0,0.0,,,,,,,
O=C(Nc1ccccc1)N(CCN1CCOCC1)Cc1cccc(Cl)c1,CID664109,0.0,,,0.0,,0.0,,,,,,,0.0,,,0.0,0.0
O=C(Nc1cccc(Cl)c1)N(CCN1CCOCC1)Cc1cccc(Cl)c1,CID663875,0.0,,,,,,,,,,,,,,,,
O=C(Nc1ccccc1)N(CCN1CCOCC1)Cc1ccccc1F,CID664822,,,0.0,0.0,,,,,,,,0.0,,,,,
O=C(Nc1cccc(Cl)c1)N(CCN1CCOCC1)Cc1ccccc1F,CID1002229,,,,,,,,,,,,,,,0.0,,
COC1=C/C(=C2/C(C#N)=C(N)NC3=C2CCCC3)C=CC1=O,CID5413149,,,,,,0.0,0.0,0.0,,0.0,,,0.0,,,,
CCOC1=C/C(=C2/C(C#N)=C(N)NC3=C2CCCC3C)C=CC1=O,CID6398943,,,,,,,,0.0,,,,,,,,,
N#CC1=C(SCC(N)=O)NC2=C(CCCC2)C1=C1C=CC(=O)C=C1,CID5403777,,0.0,,,,,,0.0,,,,0.0,0.0,,,,
CCOC1=C/C(=C2/C(C#N)=C(N)NC3=C2CCCC3)C=CC1=O,CID5406303,,,0.0,,,,,,,,,,,,,,
CCOc1ccc2nc(NCCCNS(=O)(=O)c3ccccc3)c(C#N)cc2c1,CID652032,,,0.0,0.0,,,0.0,0.0,,,0.0,,0.0,,0.0,,
CCOc1ccc2nc(NCCCNS(=O)(=O)c3ccc(C)cc3)c(C#N)cc2c1,CID3221651,,,,,,,,,,,0.0,,,,,,
CCOc1ccc2nc(NCCCNS(=O)(=O)c3ccc(Cl)cc3)c(C#N)cc2c1,CID3221654,,,,,,,,,0.0,,0.0,0.0,,,,,
CCOc1ccc2nc(NCCCNS(=O)(=O)c3ccc(F)cc3)c(C#N)cc2c1,CID3221652,,,,,,,,,,0.0,0.0,,,,,,
Cc1nnc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2ccco2)s1,CID4220055,0.0,0.0,,,,,,,,,,,,,,,
Cc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(C(C)C)s2)o1,CID4228694,,,0.0,,0.0,,0.0,,,,,,,,,,
CC(C)c1nnc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2ccco2)s1,CID2947397,,,,,,,,,,,,,,0.0,,,0.0
Cc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(C)s2)o1,CID2948478,,,,,,,,0.0,,,,,,,,,
Cc1nc2c(C(=O)NCc3ccco3)cnn2c(C)c1Cc1ccc(F)cc1Cl,CID3245671,0.0,,,,,,,,,,,,,,,,
Cc1cc(C)c(Cc2c(C)nc3c(C(=O)NCc4ccco4)cnn3c2C)c(C)c1,CID5103720,,,,,,0.0,,,,,,,,,,,
Cc1ccccc1Cc1c(C)nc2c(C(=O)NCc3ccco3)cnn2c1C,CID3244271,0.0,,,0.0,,0.0,,,,,,,,,,,
Cc1cccc(Cc2c(C)nc3c(C(=O)NCc4ccco4)cnn3c2C)c1,CID3244990,0.0,0.0,,,,,,,,,,0.0,,0.0,,,
CC1CCN(C(=O)COc2cccc3c2CCN(Cc2ccccc2)C3=O)CC1,CID2151990,,,,,,,,,,,,,,0.0,,,
O=C(COc1cccc2c1CCN(Cc1ccccc1)C2=O)N1CCCCC1,CID2151994,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1CN1CCc2c(OCC(=O)N3CCCCC3)cccc2C1=O,CID2152235,,,,,,,,,,,,,,0.0,,,
O=C(COc1cccc2c1CCN(Cc1ccccc1F)C2=O)N1CCCCC1,CID2152151,,,,,,,,,,,,,,,0.0,,
COc1ccc(-c2noc(CCC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)cc1,CID3243472,,,,,0.0,,0.0,,,,,,,,,,
COc1ccc(-c2noc(CCC(=O)N3CCN(c4cc(C)ccc4C)CC3)n2)cc1,CID3241668,,,,,,,,,0.0,,,0.0,,,,,
COc1ccc(N2CCN(C(=O)CCc3nc(-c4ccc(C)cc4)no3)CC2)cc1,CID7372360,,,,,,,,,,,0.0,,,,,,
Cc1ccc(-c2noc(CCC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)cc1,CID3239449,,,,,0.0,,0.0,,,,,,,,,,
Cc1ccc(-n2c(N)c(C(=O)NCc3ccco3)sc2=S)cc1,CID889070,,,,,,,,,0.0,0.0,,,,,,,
COc1ccc(-n2c(N)c(C(=O)NCc3ccco3)sc2=S)cc1,CID1308938,,,,,,,,,0.0,0.0,,,,0.0,,,
CCOc1ccc(-n2c(N)c(C(=O)NCc3ccco3)sc2=S)cc1,CID1301315,,,,,,0.0,,,0.0,0.0,,,,,,,
CCOC(=O)c1ccc(-n2c(N)c(C(=O)NCc3ccco3)sc2=S)cc1,CID3238799,,,,,,,,,0.0,0.0,,,0.0,,,,
Cc1nonc1NC(=O)CSc1nnc(-c2ccoc2C)n1C,CID645540,,0.0,,0.0,0.0,,,,,,,,,,,,
CCn1c(SCC(=O)Nc2nonc2C)nnc1-c1ccoc1C,CID647699,,,,,0.0,,,,,,,,,,,,
Cc1nonc1NC(=O)CSc1nnc(-c2ccoc2C)n1CC(C)C,CID649096,,0.0,,,0.0,,,,,,0.0,,,,,,
CCCn1c(SCC(=O)Nc2nonc2C)nnc1-c1ccoc1C,CID656144,,0.0,,0.0,0.0,,,0.0,,,,0.0,,,,,
ON1C2CCCCC2N(O)C1c1c(F)c(F)c(F)c(F)c1F,CID534843,,,,,,,,,0.0,,,,,,,,0.0
ON1C2CCCCC2N(O)C1c1ccc(Cl)cc1Cl,CID659805,,0.0,,,,,0.0,,,,,,,,,,
ON1C2CCCCC2N(O)C1c1ccccc1,CID2842227,,,,,,,,,,0.0,,,,,,,
ON1C2CCCCC2N(O)C1c1ccccc1C(F)(F)F,CID3133607,,,,,,,,,0.0,,,,,,,,
Cc1cccc(C(=O)/N=c2\c(C#N)cc3c(=O)n4cccc(C)c4nc3n2Cc2ccco2)c1,CID4522020,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(=O)/N=c2\c(C#N)cc3c(=O)n4cccc(C)c4nc3n2Cc2ccco2)cc1,CID1892604,,,,,,,,,,,0.0,,,,,,
Cc1ccccc1C(=O)/N=c1\c(C#N)cc2c(=O)n3cccc(C)c3nc2n1Cc1ccco1,CID1991742,,,,,,,,,,,,0.0,,,0.0,,
Cc1cccn2c(=O)c3cc(C#N)/c(=N\C(=O)c4ccccc4)n(Cc4ccco4)c3nc12,CID663304,,,,,,,0.0,,,,0.0,,,,,,
N#C/C(=C\c1ccc(C#N)cc1)C(=O)N1CCCC1,CID2094391,,,,,,,,,,,,,,,0.0,,
COc1cc(/C=C/C(=O)N2CCCC2)cc(OC)c1OC,CID808227,,,,,,,,,,,,,,,0.0,,
Cc1ccc(/C=C(\C#N)C(=O)N2CCCC2)c(C)c1,CID2378189,,,,,,,,,,,,,,0.0,,,
COc1ccc(/C=C/C(=O)N2CCCC2)cc1OC,CID1537537,,,,,,,,,,,,,,,0.0,,
N#CC1=C(N)OC2=C(C(=O)CCC2)C1Cc1ccccc1,CID2849161,0.0,,0.0,0.0,,,,,,,0.0,0.0,,,,0.0,
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C2Cc1ccccc1,CID2848984,0.0,,,,,,,,,,,,,,,0.0,
CC(c1ccccc1)C1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2,CID2910434,,,0.0,0.0,,,,0.0,,,,,,,,,
CC(c1ccccc1)C1C(C#N)=C(N)OC2=C1C(=O)CCC2,CID2881246,0.0,,0.0,,,,,,,,,,,,,,0.0
CCCn1c(-c2ccc(OC)cc2)nc2c(=O)n(C)c(=O)[nH]c21,CID824004,,,,,,,,,0.0,,,,,0.0,,,
CCCn1c(-c2ccccc2)nc2c(=O)n(C)c(=O)[nH]c21,CID743004,,,0.0,0.0,,,,,0.0,,,,,,,,
CCCCn1c(-c2ccc(Cl)cc2)nc2c(=O)n(C)c(=O)[nH]c21,CID660806,0.0,,,0.0,,,,,,,,,,,0.0,,
CCCCn1c(-c2ccccc2)nc2c(=O)n(C)c(=O)[nH]c21,CID626848,,0.0,,,,0.0,0.0,,0.0,,,0.0,0.0,,,,
O=C(CSc1nc2ccccc2[nH]1)NC(=O)NCc1ccco1,CID2086379,,,0.0,0.0,,,,0.0,,0.0,,,,,,,
CCCCn1c(SCC(=O)NC(=O)NCc2ccco2)nc2cc(S(N)(=O)=O)ccc21,CID2998006,,,,,,,,,,,,,0.0,0.0,,0.0,
Cc1ccc2nc(SCC(=O)NC(=O)NCc3ccco3)[nH]c2c1,CID2087569,,,,,,,0.0,,,,,,,,,,
CCOc1ccc2nc(SCC(=O)NC(=O)NCc3ccco3)[nH]c2c1,CID2517341,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC(=O)C(=O)NCCc2ccccc2)cc1C,CID2247368,,,,,,0.0,,,,,,,,,,,
Cc1cccc(NC(=O)C(=O)NCCc2ccc(Cl)cc2)c1,CID2266131,,,,,,0.0,,,,,,,,,,,
COc1ccc(C)cc1NC(=O)C(=O)NCCc1ccc(OC)c(OC)c1,CID2213485,,,,,,0.0,,,,,,,,,,,
Cc1cc(C)cc(NC(=O)C(=O)NCCc2ccccc2)c1,CID2272107,,,,,,0.0,,,,,,,,,,,
COc1cccc(NC(=O)C2CC(=O)N=C(N)S2)c1,CID2886215,,0.0,,,,,,,,,0.0,,,,,,
CCOC(=O)c1ccc(NC(=O)C2CC(=O)N=C(N)S2)cc1,CID2888879,,,,,,,,,,,,,,,0.0,,
CC(C)c1ccc(NC(=O)C2CC(=O)N=C(N)S2)cc1,CID2950198,,,,,,,,0.0,,,,,,,,,
CCc1ccc(NC(=O)C2CC(=O)N=C(N)S2)cc1,CID2887095,,0.0,,,,,0.0,0.0,,,,,,,,,
CNC(=O)C1CC(=O)N(Cc2ccccc2)/C(=N/c2ccc(OC)cc2)S1,CID661505,0.0,0.0,0.0,,0.0,0.0,0.0,0.0,,,,0.0,,,,,0.0
CNC(=O)C1CC(=O)N(Cc2ccc(OC)c(OC)c2)/C(=N/c2ccc(OC)cc2)S1,CID2936808,,,,,,,,,,,0.0,,,,,,
CCNC(=O)C1CC(=O)N(Cc2ccc(F)cc2)/C(=N/c2ccc(OC)cc2)S1,CID649352,0.0,0.0,,,,,,0.0,,,,,,,,,
COc1ccc(/N=C2\SC(C(=O)O)CC(=O)N2Cc2ccc(OC)c(OC)c2)cc1,CID2936474,,,,,0.0,,,0.0,,,,,0.0,,,0.0,0.0
c1ccc(OCCCCN2CCOCC2)cc1,CID2057324,,,,,,,,,0.0,0.0,,,,,,,
Cc1cc(Cl)cc(C)c1OCCCCN1CCOCC1,CID2248084,0.0,,0.0,0.0,,,,,,0.0,,,0.0,,,0.0,0.0
CCOc1cccc(OCCCCN2CCOCC2)c1,CID2299882,,,,,,0.0,0.0,,,0.0,,,,,0.0,,0.0
CCC(C)c1ccc(OCCCCN2CCOCC2)cc1,CID2922891,,,,,,,,,,,0.0,,,,,,
O=C(CSc1nc(=O)cc(O)n1-c1ccccc1)N1CCCCC1,CID779548,0.0,0.0,0.0,,0.0,,0.0,,,,,,,,,0.0,
CCCCc1c(O)n(-c2ccccc2C)c(SCC(=O)N2CCCCC2)nc1=O,CID658954,0.0,,0.0,,0.0,,,,,,,,0.0,,,,0.0
CCc1c(O)n(-c2ccccc2C)c(SCC(=O)N2CCCCC2)nc1=O,CID1379554,0.0,,,,0.0,0.0,,,,,,,0.0,,,,0.0
COc1ccc(-n2c(O)cc(=O)nc2SCC(=O)N2CCCCC2)cc1,CID1379093,0.0,,0.0,0.0,0.0,,0.0,,,,,,0.0,0.0,,0.0,
CCCCNC(=S)N(C)N/C=C1\C(C)=Nc2ccccc21,CID5983337,,,,,,,,,,,,,,,0.0,,
CCCCC/C(NO)=C1\C=Nc2ccccc21,CID5862829,,,,,,0.0,,,,,,,,,,,
CC1=Nc2ccccc2/C1=C/NO,CID5389262,,,,,,,0.0,,,,0.0,,,,,,
CCC/C(NO)=C1\C=Nc2ccccc21,CID5310887,,,0.0,,,,,,,,,,,0.0,,,
Cc1ccc(C2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1,CID646541,0.0,,,0.0,,,0.0,0.0,,,,,,,0.0,,0.0
CSc1ccc(C2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1,CID2942938,,,,,0.0,,0.0,,,,0.0,,,,,,
N#CC1=C(N)Oc2cc3c(cc2C1c1ccc(Cl)cc1)OCO3,CID2943028,0.0,0.0,,0.0,,,,,,,,,,,,0.0,0.0
COc1ccc(C2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1,CID2941798,0.0,,0.0,,0.0,,,0.0,,,,,0.0,,,,
Cc1nc2ccc(NC(=O)c3ccco3)cc2s1,CID1085170,,,,,,,,,,,,,,,0.0,,
CC(=O)Nc1nc2ccc(NC(=O)c3ccco3)cc2s1,CID1084680,,,,,,,,,,,,0.0,,0.0,,,
CCCC(=O)Nc1nc2ccc(NC(=O)c3ccc(Br)o3)cc2s1,CID1257715,,,,,,,0.0,,,,,,,,,0.0,
Cc1nc2ccc(NC(=O)c3ccc(Br)o3)cc2s1,CID2101616,,,,,,,,,,,,,,0.0,,,
CS(=O)(=O)NNC(=O)c1cc2cc3ccccc3nc2s1,CID1485315,,,,,,,,,,,,,,,0.0,,
CCC(C)NC(=O)c1cc2cc3ccc(OC)cc3nc2s1,CID5046601,,,,,,,,,0.0,,,,,,,,
Cc1cccc2cc3c(N)c(C#N)sc3nc12,CID649697,,,,0.0,,,,,,,,,,,,,
Cc1ccc(C)c2nc3sc(C(=O)O)cc3cc12,CID865770,,,,,,,,,,,,,,,0.0,,
O=C(Cc1cccs1)N(c1ccc(Cl)cc1)C1C=CS(=O)(=O)C1,CID3241297,,,0.0,,,,,,0.0,,,,,,0.0,,
Cc1ccc(N(C(=O)Cc2cccs2)C2C=CS(=O)(=O)C2)cc1Cl,CID16193889,,,,,,,,,,,,,,0.0,,,
O=C(Cc1cccs1)N(c1ccc(Br)cc1)C1C=CS(=O)(=O)C1,CID16194942,,,,,,,,,,,,,,0.0,,,
O=C(Cc1cccs1)N(c1ccccc1)C1C=CS(=O)(=O)C1,CID3237601,0.0,,,,,,,,0.0,,,,,,,,
CCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1ccco1,CID653984,0.0,,0.0,0.0,,,,,0.0,,,0.0,0.0,,,,
O=C(NC(Cc1c[nH]c2ccccc12)C(=O)O)c1ccco1,CID2785192,,,,,,,,,0.0,,,,,,,,
COc1ccc2c(CCNC(=O)c3ccco3)c[nH]c2c1,CID699102,0.0,0.0,,,,,,0.0,,0.0,,0.0,,,,,0.0
Cc1ccc(C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)o1,CID3116865,,,0.0,0.0,,,,,,0.0,0.0,,,,,,0.0
COCCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cc(C)on1,CID653987,,0.0,0.0,,,,,,,,0.0,,0.0,,,,
CCCCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cc(C)on1,CID3181032,,,,,,,,,,,,0.0,,,,,
Cc1cc(NC(=O)CSc2nnc(Cc3ccccc3)n2C)no1,CID1154532,,,,,,,,,,,,,,,0.0,,
CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cc(C)on1,CID651343,0.0,0.0,0.0,,0.0,,,0.0,,,,,,,,0.0,0.0
CCn1c(CNc2ccc(C)cc2C)nnc1SCC(=O)N1CCCc2ccccc21,CID655587,0.0,0.0,0.0,0.0,,,,,,,,,,,,,
COc1ccc(NCc2nnc(SCC(=O)N3CCCc4ccccc43)n2C)cc1,CID653804,0.0,,0.0,,,,,0.0,,,0.0,,,,,,0.0
CCn1c(CNc2ccc(OC)cc2)nnc1SCC(=O)N1CCCc2ccccc21,CID647082,0.0,,0.0,,,,,,,,0.0,,0.0,,,,0.0
CCn1c(CNc2ccc(F)cc2)nnc1SCC(=O)N1CCCc2ccccc21,CID646104,0.0,0.0,,,0.0,,,,,,,,,,,0.0,
COc1ccc(/C=C/C(=O)c2c(C)nc3ccccn23)cc1,CID6050117,,,,,,0.0,,,,,,,,,,,
Cc1ccc(/C=C/C(=O)c2c(C)nc3ccccn23)cc1,CID5939037,,,,,,0.0,,,,,,,,,,,
Cc1nc2ccccn2c1C(=O)/C=C/c1cccc([N+](=O)[O-])c1,CID5904335,,,,,,,,,,,,,,,0.0,,
Cc1nc2ccccn2c1C(=O)/C=C/c1ccc(F)cc1,CID5915318,,,,,,,,,,,,0.0,,,,,
COCC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1nc(=O)c2ccccc2[nH]1,CID652672,,,0.0,,,0.0,,,0.0,,,,,,,,
CCCC(=O)N(CCc1ccc(OC)cc1)Cc1nc(=O)c2ccccc2[nH]1,CID1453965,,,,,,0.0,,,0.0,,0.0,0.0,,,,,
CCCC(=O)N(CCc1ccccc1)Cc1nc(=O)c2ccccc2[nH]1,CID656009,,,0.0,,,0.0,,,0.0,,0.0,0.0,0.0,,,,
COCC(=O)N(CCc1ccc(OC)cc1)Cc1nc(=O)c2ccccc2[nH]1,CID644446,,,0.0,,,,0.0,,0.0,,,,,,,,
Cc1ccc(C(=O)COC(=O)CNC(=O)c2ccco2)cc1,CID655320,,,0.0,,,0.0,,0.0,,,,,0.0,,,,
O=C(CNC(=O)c1ccco1)OCC(=O)c1ccccc1,CID2180478,,,0.0,,,0.0,,,,0.0,,,0.0,,,,
O=C(CNC(=O)c1ccco1)OCC(=O)c1ccccc1Cl,CID3158536,,,,,,,,,,,,,,,0.0,,
CCc1ccc(C(=O)COC(=O)CNC(=O)c2ccco2)cc1,CID1616788,,,0.0,,,0.0,0.0,0.0,,0.0,0.0,,,,,0.0,0.0
CCOC(=O)N1CCC(N2Cc3cccc(C(=O)Nc4cccc(F)c4)c3C2=O)CC1,CID16193491,,,,,,,,,,,,,,0.0,0.0,,
CCOC(=O)c1ccccc1NC(=O)c1cccc2c1C(=O)N(C1CCN(C(=O)OCC)CC1)C2,CID5309282,,,0.0,,,0.0,,,,,,,,,,,
CCOC(=O)N1CCC(N2Cc3cccc(C(=O)Nc4cc(F)ccc4F)c3C2=O)CC1,CID5309274,,,,,,,,,,0.0,,,,,,,
CCOC(=O)N1CCC(N2Cc3cccc(C(=O)Nc4ccc(OC)c(OC)c4)c3C2=O)CC1,CID5309402,0.0,,,,,,,,,,,,,,,,
Cc1cccc(C)c1NC1=NC(C)(C)N=C(N)N1,CID654631,,,,,,,,,,,,,,,,0.0,
Cc1ccccc1NC1=NC(C)(C)N=C(N)N1,CID651581,,,,,,,,,,,,0.0,,,,0.0,
CCOc1ccc(NC2=NC(C)(C)N=C(N)N2)cc1,CID805323,0.0,,,,,,,0.0,,,,,,,,0.0,
Cc1cccc(NC2=NC(C)(C)N=C(N)N2)c1C,CID649263,,,,,,,,0.0,,,,,0.0,,,0.0,
CN(C)C(=O)C1(c2ccccc2)CCN(S(=O)(=O)c2ccccc2)CC1,CID2221650,0.0,,,,,,,,,0.0,,,,0.0,,,
CCC(C)N(C)Cc1cccc(C2(O)CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1,CID3238062,,0.0,,0.0,,,,0.0,,,,,0.0,,,,
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(C)=O)(c3cccc(F)c3)CC2)cc1,CID646198,,,,,,,,,,,,,0.0,,0.0,,
COc1ccc(S(=O)(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)cc1,CID654602,0.0,,,,0.0,,,,,0.0,0.0,,,,,,
Cc1ccc(C(=O)N/N=C/c2nc3ccccc3n2C)cc1,CID867487,,,,,,,,,,,,0.0,,,,,
Cn1c(/C=N/NC(=O)c2ccccc2Br)nc2ccccc21,CID1349987,,,,,,,,,,,,,,,0.0,,
Cn1c(/C=N/NC(=O)c2ccccc2)nc2ccccc21,CID871871,,,,,,0.0,,,,,,0.0,,,0.0,,
CCn1c(/C=N/NC(=O)c2ccc(OC)cc2)nc2ccccc21,CID828195,,,,,,,,,,,,,,0.0,0.0,,
Cc1cc(NC(=O)c2ccccc2O)nc(C)n1,CID847922,,,,,,,,,,,,,,0.0,,,
COc1cc(NC(=O)c2c(F)cccc2F)nc(OC)n1,CID685677,,,0.0,0.0,,,,,,,,,,,,,
COc1ccc(C(=O)Nc2cc(OC)nc(OC)n2)cc1,CID730507,,,,,,,,,0.0,,,,,,,,
COc1cc(NC(=O)c2cccc(Br)c2)nc(OC)n1,CID698520,,,,,,,,,,,,,,,0.0,,
CCn1c(SCC(=O)c2ccc3c(c2)OCCO3)nnc1C(C)C,CID645195,,,,,,,0.0,0.0,,,,,0.0,0.0,,,
COCCn1c(SCC(=O)c2ccc3c(c2)OCCO3)nnc1C(C)C,CID645388,,,,0.0,,,,,,,0.0,,,,,,
CCCn1c(SCC(=O)c2ccc3c(c2)OCCO3)nnc1C(C)C,CID651372,,0.0,,,,,,,,,,,0.0,,,,0.0
Cn1cnnc1SCC(=O)c1ccc2c(c1)OCCO2,CID2962925,,,,,,,,,,0.0,,,,,,,
O=C(Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O)NCc1ccco1,CID3236984,0.0,0.0,0.0,,,,0.0,,,,,,,,,,
Cc1ccc(Cn2nnc3c(=O)n(CC(=O)NCc4ccco4)cnc32)cc1,CID3241389,,0.0,,0.0,,,,,,0.0,,,,,,,
O=C(Cn1cnc2c(nnn2Cc2ccc(F)cc2)c1=O)NCc1ccco1,CID3244909,,0.0,,,,,,,,,,,,,,,
O=C(Cn1cnc2c(nnn2Cc2ccccc2F)c1=O)NCc1ccco1,CID3244274,,0.0,,,,,,,,,,,,,,,
CN(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(Br)s1,CID3236986,,,,,,,,,0.0,,,,,,,0.0,
O=C(CNS(=O)(=O)c1cccs1)Nc1ccc2c(c1)OCCO2,CID3245300,,,,,0.0,,,,,,,,,,,,
CCN(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1cccs1,CID2440523,,,,,,,,,,,,,,,0.0,,
O=C(CNS(=O)(=O)c1ccc(Br)s1)Nc1ccc2c(c1)OCCO2,CID3236287,,,,,,,,,0.0,,,,,,,0.0,
Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CCCC2)ccc1C,CID2219469,,0.0,0.0,,,,,0.0,,,,,,,,,
Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCCC3)ccc2C)cc1C,CID2226212,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C(=O)N2CCCC2)cc1S(=O)(=O)Nc1ccccc1,CID1248551,,,,,,,,,,,0.0,,,,,,
Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CCCC3)ccc2Cl)c1,CID1265015,,,,,,,,,,,,,,,0.0,,
CC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)o1,CID1433181,,,,,,,,,0.0,,,,,,,,
COC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)o1,CID651063,,,,0.0,0.0,,,,0.0,0.0,0.0,,,,,,
CCOC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)o1,CID652119,,,,,0.0,0.0,,,,0.0,0.0,,0.0,,,,
COC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)o1,CID648859,,0.0,0.0,,0.0,,0.0,,0.0,,0.0,,0.0,,,,
CCOC(=O)c1sc2ncnc(NCc3ccco3)c2c1C,CID1668622,,,,,,0.0,,,0.0,,0.0,0.0,,,,,
Cc1sc2ncnc(N(C)Cc3ccco3)c2c1C,CID4882721,,,,,,,,,,0.0,0.0,,,,,,
CCOC(=O)c1sc2nc(CC(=O)OC)nc(NCc3ccco3)c2c1C,CID3239479,,,,,,,,,0.0,,,,,,,0.0,0.0
Cc1sc2ncnc(NCc3ccco3)c2c1C,CID2077531,,,,,,,,0.0,,,,,0.0,,,,
CCOC(=O)CNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCC(C)CC3)c2c1=O,CID3235903,,,,,,,0.0,,,,,,,,,0.0,
COC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCC(C)CC3)c2c1=O,CID3244949,,,,,0.0,,,,,,,,,,,,
COCCNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCC(C)CC3)c2c1=O,CID3239628,,,0.0,,0.0,,,,,,,,,,,0.0,0.0
COC(=O)CNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCC(C)CC3)c2c1=O,CID3239141,,,,,,,,,,,,,,,,0.0,
CCCCN(CCCNC(=O)C1CCN(S(=O)(=O)CC)CC1)c1ccccc1,CID3235905,,,0.0,,,,,,,,,,0.0,,,,
CCN(CCCNC(=O)C1CCN(S(=O)(=O)CC)CC1)c1cccc(C)c1,CID3245991,,,,,,0.0,,0.0,,,0.0,,,,,,
CCN(CCCNC(=O)C1CCN(S(=O)(=O)CC)CC1)c1ccccc1,CID3245302,,,,0.0,,,,,,,0.0,,,,,,
CCCS(=O)(=O)N1CCC(C(=O)NCCCN(CC)c2cccc(C)c2)CC1,CID3241674,,,,,,,,,,,,,,,,,0.0
Cc1cccc(N2CCN(C(c3cccs3)c3nnnn3C(C)(C)C)CC2)c1C,CID645264,,,,,0.0,,,,,,0.0,,,,,,
COCCn1nnnc1C(c1cccs1)N1CCN(c2ccccc2)CC1,CID646797,0.0,0.0,,,0.0,0.0,,,,,0.0,,,,,0.0,0.0
CC(C)(C)n1nnnc1C(c1cccs1)N1CCN(c2ccccc2)CC1,CID3193612,,,,,,,,,,,0.0,,,,,,
COCCn1nnnc1C(c1cccs1)N1CCN(c2cccc(C(F)(F)F)c2)CC1,CID3193436,,,,,,,,,,,0.0,,,,,,
COc1ccccc1NC(=O)CCC(=O)Nc1ccccc1OC,CID898115,0.0,,,,,,0.0,,,,,0.0,,,,,
CCN(C(=O)CCC(=O)N(CC)c1ccccc1)c1ccccc1,CID1790971,,,,,,,,,,,,,,0.0,,,
COc1ccccc1NC(=O)C(O)C(O)C(=O)Nc1ccccc1OC,CID3235744,,0.0,,,0.0,,,,,,,0.0,0.0,,,,
CCOc1ccccc1NC(=O)CCC(=O)Nc1ccccc1OCC,CID1294108,,,,,,,,,0.0,,0.0,0.0,,0.0,,,
CCOc1cc(C(=O)Nc2c3c(nn2C(C)(C)C)CS(=O)C3)cc(OCC)c1OCC,CID2057726,,,,,0.0,,0.0,,,,,,0.0,,,,0.0
CC(C)(C)n1nc2c(c1NC(=O)c1ccc(Br)cc1)CS(=O)C2,CID2160337,0.0,,,,,,,,0.0,,,,,0.0,,,
CC(C)(C)n1nc2c(c1NC(=O)c1ccccc1F)CS(=O)C2,CID756298,,0.0,0.0,,,,,0.0,,,,0.0,,,0.0,0.0,0.0
CC(C)(C)n1nc2c(c1NC(=O)c1cccc(C(F)(F)F)c1)CS(=O)C2,CID2160393,0.0,,,,0.0,,0.0,,,,,0.0,,,,,0.0
Cc1cc(C)nc(N2CCCC(C(=O)NCc3ccccc3)C2)n1,CID3224233,,,,,,,,,,0.0,,,,,,,
O=C(NCc1cccc(C(F)(F)F)c1)C1CCCN(c2ncccn2)C1,CID649301,,,,,0.0,,0.0,,,,,,,,,,0.0
CCOc1cc(C)nc(N2CCCC(C(=O)NCc3ccccc3F)C2)n1,CID650993,,,,,,,,,,,,0.0,,,,,
Cc1cc(C)nc(N2CCCC(C(=O)NCc3cccc(C(F)(F)F)c3)C2)n1,CID648377,0.0,,,,0.0,,,,,,,,,,,,
Cc1cc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c(C)o1,CID760434,,,,,,,,,,,,,,0.0,0.0,,
Cc1cc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c(C)o1,CID760432,,,,,,0.0,,,,,,,,0.0,,,
Cc1cc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])c(C)o1,CID760399,,,,,,,,,,,,,,0.0,,,
COc1ccc(/C=N/NC(=O)c2ccoc2C)cc1OC,CID760383,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)c2c(n1)nn1c(N3CCN(Cc4ccccc4)CC3)cc(C)nc21,CID665898,0.0,,,,,0.0,,,,,,,,,,,
CCOc1ccc(CN2CCN(c3cc(C)nc4c5c(C)cc(C)nc5nn34)CC2)cc1,CID666691,,,0.0,,,,,,,,,0.0,,,,,0.0
COc1ccc(F)cc1CN1CCN(c2cc(C)nc3c4c(C)cc(C)nc4nn23)CC1,CID666454,,0.0,0.0,,,,0.0,,,,,,,,,,
COc1ccc(CN2CCN(c3cc(C)nc4c5c(C)cc(C)nc5nn34)CC2)cc1F,CID667088,,,0.0,,,,0.0,,,,,,,,,,
Cc1ccnc(SCCn2c(N3CCN(C)CC3)nc3c2c(=O)[nH]c(=O)n3C)n1,CID666548,,,,,0.0,,,,,,,,0.0,,,,
CCN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CCSc2nccc(C)n2)CC1,CID666689,,0.0,,,0.0,,,,,,0.0,,,,0.0,,
CCN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CCSc2ncccn2)CC1,CID664817,,,,,0.0,,,,,,,,,,,,
CN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCSc2ncccn2)CC1,CID663902,,0.0,,,0.0,,,,,,,,0.0,,,,
CCC(=O)Nc1c(-c2cccs2)c(=O)c2ccccc2n1C,CID666544,,,,,0.0,,0.0,0.0,,,,0.0,0.0,,,,0.0
CC(C)C(=O)Nc1c(-c2cccs2)c(=O)c2ccccc2n1C,CID1858664,,,,,,,,,0.0,,0.0,0.0,,,,,
CCCCCC(=O)Nc1c(-c2cccs2)c(=O)c2ccccc2n1C,CID1871652,,,,,,0.0,,,,,,0.0,,,,,
CCCC(=O)Nc1c(-c2cccs2)c(=O)c2ccccc2n1C,CID1946247,,,,,,,,,,,0.0,0.0,,0.0,,,
CC(C)(C)c1ccc(COn2c(=O)c(-c3ccco3)[n+]([O-])c3ccccc32)cc1,CID1287693,,,,,,,,,,,,0.0,,0.0,0.0,,
O=c1c(-c2ccco2)[n+]([O-])c2ccccc2n1OCc1ccccc1,CID948704,,,,,,,,,0.0,,,,,,,,
O=c1c(-c2ccco2)[n+]([O-])c2ccccc2n1OCc1ccccc1F,CID1287917,,,,,,,,,,,,0.0,,,,,
COc1ccccc1COn1c(=O)c(-c2ccco2)[n+]([O-])c2ccccc21,CID1302951,,,,,,,,,,,,,,0.0,,,
CCCn1/c(=N/C(=O)c2ccco2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21,CID1251509,,,,,,,,,,,0.0,,,,,,0.0
CCCCCn1/c(=N/C(=O)c2ccco2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21,CID663658,0.0,,0.0,,,0.0,,,,,,0.0,,,,,
CCCCn1/c(=N/C(=O)c2ccco2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21,CID2152338,,,,,,,0.0,,,,,0.0,0.0,,,,
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N/C(=O)c1ccco1,CID3240302,,,,,,,0.0,0.0,,,,,,,,,0.0
CCCSc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)SC2,CID3800837,,,,,,,,,0.0,,,,,,,,
CC(C)Sc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)SC2,CID629376,0.0,0.0,0.0,0.0,0.0,0.0,0.0,,,0.0,,,,,,,
CC1(C)Cc2c(C#N)c(SCCC#N)nc(N3CCOCC3)c2CS1,CID658817,0.0,0.0,,,,,,,,,,,,,,,0.0
CC(C)CSc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)SC2,CID633186,0.0,,0.0,,0.0,,,,,0.0,,,,,,,0.0
COc1ccc(OC)c(C(=O)COC(=O)c2ccc(C)o2)c1,CID2106174,,,,,,,0.0,,0.0,,,,,0.0,,,
COc1ccc(C(=O)COC(=O)c2ccco2)cc1,CID2357867,,,,0.0,,,,,,,0.0,,,0.0,,,
Cc1ccc(C(=O)COC(=O)c2ccc(Br)o2)cc1C,CID882373,,,,,,,,,,,0.0,,,,,,0.0
Cc1ccc(C)c(C(=O)COC(=O)c2ccc(Br)o2)c1,CID882316,,,,,,,,,,,0.0,0.0,,,,,
CC1CCN(S(=O)(=O)c2ccc3c(c2)CCN3C(=O)CCC(=O)O)CC1,CID3244810,,,,,0.0,,,,,,,,0.0,,,0.0,
CS(=O)(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21,CID608636,,,,,,,,,,,,,,0.0,,,
O=C(O)CCC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21,CID3242711,,,,,0.0,,0.0,,,,,,,,,0.0,0.0
CC1CCCCN1S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)O,CID3237183,0.0,0.0,0.0,,,,,,,0.0,,,,,,0.0,
COc1ccccc1N(CC(=O)Nc1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1,CID1138020,,,,0.0,0.0,,,,,0.0,,,0.0,,,0.0,0.0
COc1ccc(N(CC(=O)Nc2ccc3c(c2)OCO3)S(=O)(=O)c2ccccc2)c(OC)c1,CID1137961,,,,,0.0,,,0.0,,0.0,,,,,,0.0,
COc1ccc(OC)c(N(CC(=O)Nc2ccc3c(c2)OCO3)S(=O)(=O)c2ccccc2)c1,CID1136958,,,,,0.0,,,,,0.0,0.0,,,,,0.0,0.0
COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)c2ccccc2OC)cc1,CID1076329,,,,,0.0,,,,,,,,,,,0.0,
CCC(C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2CCC1=CCCCC1,CID3660964,,,,,,0.0,,,,,,,,,,,
CCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2CCC1=CCCCC1,CID666213,,,0.0,0.0,,,,,,0.0,,,,,,,
CCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2CCC1=CCCCC1,CID663704,,0.0,,0.0,,0.0,,,,,,,0.0,,,,
CCOCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2CCC1=CCCCC1,CID664898,,,,,,,,,,0.0,,,,,,,
CCCN1C(=O)SC(CC(=O)Nc2ccc(C)cc2)C1=O,CID3155762,,,,,,,,,0.0,,,,,,,,
CCCN1C(=O)SC(CC(=O)Nc2ccccc2C)C1=O,CID3155763,,,,,,,,,0.0,,,0.0,,,0.0,,
CCCN1C(=O)SC(CC(=O)Nc2ccccc2)C1=O,CID650257,,0.0,0.0,,,0.0,,0.0,,,,,,,,,
CCCN1C(=O)SC(CC(=O)Nc2ccc(Br)cc2)C1=O,CID660504,0.0,,,,,,0.0,,0.0,,,,,,,0.0,0.0
COC(=O)c1c(N)sc(C(=O)N2CCOCC2)c1C,CID1255350,,,,0.0,,,0.0,0.0,,,,,,0.0,,,
CCOC(=O)c1c(N)sc(C(=O)N2CCOCC2)c1C,CID714553,,0.0,,,0.0,,0.0,,,,,,0.0,,,0.0,
O=C(c1ccc(Cl)s1)N1CCOCC1,CID2225446,,,,0.0,,,,,,0.0,,,,0.0,,,
O=C(c1cccs1)N1CCOCC1,CID531921,,,0.0,,,,,,,,,,0.0,,0.0,,
O=C(NCc1ccc2c(c1)OCO2)C1CC(c2ccc(Cl)c(Cl)c2)=NO1,CID2962211,,,,,,0.0,,,,,,,,,,,
COc1cc(OC)c(C2=NOC(C(=O)NCc3ccc4c(c3)OCO4)C2)cc1Cl,CID2973618,,,0.0,0.0,,,,,,,,,,,,,
O=C(NCc1ccc2c(c1)OCO2)C1CC(c2cccc(Br)c2)=NO1,CID2962243,,,,,,,,,0.0,,,0.0,,,,,
O=C(NCc1ccc2c(c1)OCO2)C1CC(c2ccc(Cl)cc2)=NO1,CID3158124,,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccc(O)cc1C(=O)O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O,CID1301379,,,,0.0,,,0.0,,,,,,0.0,,,,
CCc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1,CID5308395,,,,0.0,,,,0.0,,,,,0.0,,,,
COC(=O)c1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O,CID2233105,,,0.0,,,,,0.0,0.0,0.0,,,0.0,,,,
O=C(Nc1ccc(Cl)cc1C(=O)O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O,CID1301485,,,,,,,,,,,,,,,,0.0,
Cc1ccc2nc(Nc3ncc4c(n3)CCCC4=O)nc(C)c2c1,CID663826,,0.0,,,,,0.0,,,,,,,,,,
Cc1nc(Nc2ncc3c(n2)CC(C)(C)CC3=O)nc2ccccc12,CID661579,,0.0,,,,,0.0,,,,,,,,,,0.0
Cc1nc(Nc2ncc3c(n2)CCCC3=O)nc2ccccc12,CID662203,,0.0,0.0,,,,0.0,,,,,,,,,,
Cc1ccc2c(C)nc(Nc3ncc4c(n3)CCCC4=O)nc2c1,CID750927,,0.0,,,,,0.0,0.0,,,,,0.0,,,,
OCCN1CCN(c2ncnc3c2sc2nc(N4CCOCC4)c4c(c23)CCC4)CC1,CID663821,,,,,,,,,,,0.0,,,,0.0,,
CN1CCN(c2ncnc3c2sc2nc(N4CCOCC4)c4c(c23)CCC4)CC1,CID662600,,,,,,,,,,,0.0,,,,,,
c1nc(N2CCNCC2)c2sc3nc(N4CCOCC4)c4c(c3c2n1)CCC4,CID663601,,0.0,,,,0.0,,,,0.0,0.0,,,,,0.0,
CCN1CCN(c2ncnc3c2sc2nc(N4CCOCC4)c4c(c23)CCC4)CC1,CID664516,,,0.0,,0.0,,,,,,0.0,,0.0,,,,
COC(=O)c1ccc(C(=O)OC)c(NC(=O)Nc2ccc3c(c2)OCO3)c1,CID1295430,,,0.0,,0.0,,,,,,,,,,,0.0,
O=C(Nc1cccc(Cl)c1)Nc1ccc2c(c1)OCO2,CID897033,,,,,,,0.0,,,,,,,,,0.0,0.0
COc1ccc(C(C)(C)C)cc1NC(=O)Nc1ccc2c(c1)OCO2,CID2954106,0.0,,,0.0,,,,,,,,,,,,,
COC(=O)c1ccccc1NC(=O)Nc1ccc2c(c1)OCO2,CID951060,,,,,,0.0,,,0.0,,,,,,,,
COc1cc(NS(=O)(=O)c2ccc(F)c(C#N)c2)c2ncccc2c1,CID16072228,,,,,,,,0.0,,,,,,,,,
COc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ncccc2c1,CID16072226,,,,,,,,0.0,,,,,,,,,
COc1cc(NS(=O)(=O)c2ccc(C)cc2)c2ncccc2c1,CID130606,,,,,,,0.0,,,,0.0,,,,,0.0,
Cc1ccc(S(=O)(=O)Nc2cccc3cccnc23)cc1,CID82533,,,,,,,,,0.0,,,,,,,,
CCc1cc(C)cc(OCCNC(=O)c2cncc(Br)c2)c1,CID1810473,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C(C)C)c(OCCNC(=O)c2cncc(Br)c2)c1,CID1811214,,,,,,,,,,,,0.0,,,,,
O=C(NCCOc1ccccc1)c1cncc(Br)c1,CID1811053,,,,,,,,,,,,,,0.0,,,
CC(C)c1ccccc1OCCNC(=O)c1cncc(Br)c1,CID1811200,,,,,,,,,,,,,,0.0,,,
CN1CCC(n2nccc2N)CC1,CID1084924,,,,,,,,0.0,,,,0.0,,,,0.0,
Nc1ccnn1C1CCNCC1,CID649859,,,,,,,,,,,,0.0,0.0,,,0.0,
Cc1cnn(C2CCN(C)CC2)c1N,CID645994,,,,0.0,,,,,,,,0.0,0.0,,,0.0,
Cc1cc(N)n(C2CCN(C)CC2)n1,CID646883,,,,,,,0.0,0.0,,,,0.0,0.0,,0.0,0.0,
CC(C)C(NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)C(C)C,CID967057,,,,,,,,0.0,,,,,,,,,
CNC(=O)CN1C(=O)c2ccccc2S1(=O)=O,CID1505151,,,,,,,,,,,0.0,,,,,,
CCOC(=O)N1C(=O)c2cc(OC)ccc2S1(=O)=O,CID655221,,,,,,,,,0.0,,,,,,,0.0,
CC(C)(C)SCCNC(=O)CN1C(=O)c2ccccc2S1(=O)=O,CID1815779,,,0.0,,0.0,,,,,0.0,,,,,,,
CC(C)C(=O)Nc1ccc2c(c1)nc1n2CCSC1,CID666952,,,,,,,0.0,,,,,,0.0,,,,0.0
CCC(=O)Nc1ccc2c(c1)nc1n2CCSC1,CID667206,,,0.0,,,,,,,,,,,,,,
CCCC(=O)Nc1ccc2c(c1)nc1n2CCSC1,CID666517,,,,0.0,,,,,,,,,,,0.0,,0.0
CCCCC(=O)Nc1ccc2c(c1)nc1n2CCSC1,CID666231,,,,,,,0.0,,,,,,,,,,
Cc1c(/C=N/NC(=O)c2ccc(F)cc2)cnn1C,CID841436,,,,,,,,,,,,,,0.0,,,
CCn1cc(/C=N/NC(=O)c2ccccc2Cl)cn1,CID831705,,,,,,,,,,,,,,,0.0,,
CCn1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cn1,CID831813,,,,,,,,,,,,,,,0.0,,
Cc1c(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cnn1C,CID841186,,,,,,,,,,,,,,,0.0,,
O=C(CCCOc1ccccc1)NCC1CCCO1,CID2915609,,,0.0,0.0,,,,0.0,,,0.0,,0.0,,,0.0,
O=C(CCCOc1ccc(Cl)cc1Cl)NCC1CCCO1,CID2843381,,,,,,,,,,,,0.0,,,,,
Cc1cc(Cl)ccc1OCCCC(=O)NCC1CCCO1,CID2862808,,,,,,,,,,0.0,,,,,,,
O=C(CCCOc1ccc(Cl)cc1)NCC1CCCO1,CID2914846,,,,,,,,,,0.0,,,,,,,
CCC(=O)N1CCN(CCNC=C2C(=O)CC(c3cccs3)CC2=O)CC1,CID2162431,,,,,,,,,,,,0.0,,,0.0,,
O=C1CC(c2cccs2)CC(=O)C1=CNCCN1CCNCC1,CID1887941,,,0.0,,,,,0.0,0.0,,,,,,,,
CC(=O)N1CCN(CCNC=C2C(=O)CC(c3cccs3)CC2=O)CC1,CID2164679,,,,,,,0.0,,,,,,,,,,
C=CCNC(=S)N1CCN(CCNC=C2C(=O)CC(c3cccs3)CC2=O)CC1,CID4266511,,,,,,0.0,,,,,,,,,,,
Cc1ccc2nsnc2c1S(=O)(=O)N(Cc1ccco1)Cc1cc2cccc(C)c2[nH]c1=O,CID654771,,,0.0,,0.0,0.0,,,,0.0,0.0,,,,,0.0,0.0
Cc1cc2cc(CN(Cc3ccco3)S(=O)(=O)c3c(C)ccc4nsnc34)c(=O)[nH]c2cc1C,CID1162292,,,,,,0.0,,,,,,,,,,,
Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)S(=O)(=O)c3c(C)ccc4nsnc34)cc2c1,CID646987,,,,,0.0,,,,,0.0,,,,,,0.0,0.0
Cc1ccc2cc(CN(Cc3ccco3)S(=O)(=O)c3c(C)ccc4nsnc34)c(=O)[nH]c2c1,CID656094,,0.0,,,0.0,,,,,,0.0,,,,,,0.0
CN(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)c1,CID2535506,,,,,,,,,,,,,,,,0.0,0.0
CCN(CC)S(=O)(=O)c1cccc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)c1,CID2119081,,,0.0,,,,,,,,,,0.0,,,0.0,0.0
COC(=O)c1cc(C(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)cc([N+](=O)[O-])c1,CID2462480,,,,,,,,,,,,,,0.0,,,
COc1cc(OC)c(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc1OC,CID2464914,,,,,,,,,,,,,,,0.0,,
Cn1c(=O)c2c(nc(NCc3ccc4c(c3)OCO4)n2Cc2ccccc2F)n(C)c1=O,CID657807,0.0,,,,,0.0,,,,,,,,,,,
Cn1c(=O)c2c(nc(NCc3ccc4c(c3)OCO4)n2Cc2ccccc2Cl)n(C)c1=O,CID657745,0.0,,0.0,,,,0.0,,,,,,,,,,
Cn1c(=O)c2c(nc(NCc3ccc4c(c3)OCO4)n2Cc2ccccc2)n(C)c1=O,CID657477,0.0,,,,,,,0.0,,,0.0,0.0,,,,,0.0
Cn1c(=O)c2c(nc(NCc3ccc4c(c3)OCO4)n2Cc2ccc(F)cc2)n(C)c1=O,CID657894,0.0,0.0,0.0,,,,,,,,,,,0.0,,,0.0
Clc1cccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)c1,CID662263,,0.0,,,0.0,0.0,,,,,,0.0,,,,,
Brc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1,CID663290,,,,,,,,,0.0,,0.0,,,,,0.0,0.0
Clc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)c(Cl)c1,CID662944,,0.0,,,0.0,,,,,,,,0.0,0.0,,,
Clc1ccccc1CSc1nnc(-c2ccccn2)n1Cc1ccco1,CID662723,,,0.0,,0.0,0.0,,,,,0.0,0.0,,,0.0,,0.0
COc1ccc(C(CC(=O)O)NC(=O)c2cccs2)cc1,CID3242317,,,,,,,0.0,,0.0,,,,,,,0.0,
CCN(CC)S(=O)(=O)c1csc(C(=O)NCc2ccccc2)c1,CID647357,,,,,0.0,,0.0,,0.0,,0.0,,,,0.0,,
COc1ccc(CNC(=O)c2cccs2)cc1,CID668923,,0.0,,0.0,0.0,0.0,0.0,0.0,,,,0.0,,,,,
O=C(NCc1ccccc1F)c1cccs1,CID1244199,,,0.0,,0.0,,0.0,,,,,,,,,,
CCn1c(=O)cc(SCC(=O)NCCCN2CCN(c3ccccc3F)CC2)c2ccccc21,CID3242312,0.0,,,,,,,,,,,,,0.0,,,
Cn1c(=O)cc(SCC(=O)NCCCN2CCN(c3ccccc3F)CC2)c2ccccc21,CID3240604,0.0,,,,,0.0,,,,,,,,,,,
Cn1c(=O)cc(SCC(=O)NCCCN2CCN(c3ccc(F)cc3)CC2)c2ccccc21,CID3241817,0.0,,,,,0.0,,,,,,,,,,,
CCn1c(=O)cc(SCC(=O)NCCCN2CCN(c3ccc(F)cc3)CC2)c2ccccc21,CID3244365,,,,,,,,,,0.0,,,,,,,
Cc1ccc(/C=N/c2ccccc2C(N)=O)o1,CID577583,,,,,,,,,,,,,,0.0,,,
CCN(CC)c1ccc(/N=C/c2ccc([N+](=O)[O-])o2)cc1,CID832284,,,,,,,,,,,,,,,0.0,,
Cc1ccc(/C=N/c2ccc(N(C)C)cc2)o1,CID781700,,,,,,0.0,,,,,,,,,,0.0,
CN(C)c1ccc(/N=C/c2ccco2)cc1,CID781698,,,,,,0.0,,0.0,,,,,,,,0.0,
Cc1ccc(S(=O)(=O)NNC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1,CID1472593,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNS(=O)(=O)c3ccc(Cl)cc3)CC2)cc1,CID1472594,,,,,,0.0,,,,,,,,,,,
O=C(NNS(=O)(=O)c1ccccc1)C1CCN(S(=O)(=O)c2ccccc2)CC1,CID1472595,,,,,,0.0,,,,,,,,0.0,,,
O=C(NNS(=O)(=O)c1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1,CID1472596,,,,,,,,,,,,,,0.0,,,
CC1CCN(C(=S)c2ccc(-c3ccc(Cl)cc3Cl)o2)CC1,CID2018906,,,,,,,,,,,,,,,0.0,,
S=C(c1ccc(-c2ccc(Cl)cc2Cl)o1)N1CCCCC1,CID746381,,,,,,,,,,,,0.0,,,,,
S=C(c1ccc(-c2cccc(Cl)c2)o1)N1CCCCC1,CID741694,,,,,,,,,,,,,,0.0,,,
NC(=O)C1CCN(C(=S)c2ccc(-c3ccc(Br)cc3)o2)CC1,CID1287647,,,,,,,,,,,,,,0.0,,,
COc1cc(C(=O)Nc2cc(-c3ccccc3)[nH]n2)cc(OC)c1OC,CID1378646,0.0,,0.0,0.0,,,,,0.0,,,,,,0.0,,0.0
Cc1ccc(-c2cc(NC(=O)c3ccccc3[N+](=O)[O-])n[nH]2)cc1,CID3152897,,,,,,0.0,,,,,,,,,,,
Cc1cccc(-c2cc(NC(=O)c3ccccc3[N+](=O)[O-])n[nH]2)c1,CID3688764,,,,,,0.0,,,,,,,,,,,
Cc1cccc(C(=O)Nc2cc(-c3cccc(C)c3)[nH]n2)c1,CID3139654,,,,,,0.0,,,,,,,,,,,
Cc1ccc(S(=O)(=O)N(CC(=O)NCCSc2ccccn2)c2cc(C)cc(C)c2)cc1,CID1737291,,,,,,0.0,,,,,,,,,0.0,,
Cc1cc(C)cc(N(CC(=O)NCCSc2ccccn2)S(=O)(=O)c2ccccc2)c1,CID2282197,,,,,,0.0,,,,,,,,,,,
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NCCSc1ccccn1,CID2267147,,,,,,,,,,,,,,,0.0,,
Cc1ccccc1N(CC(=O)NCCSc1ccccn1)S(=O)(=O)c1ccccc1,CID2266421,,,,,,,,,,,,,,,0.0,,
N#C/C(=C\c1ccc(O)c(O)c1)C(=O)NCCCc1ccccc1,CID5328770,,,,,,,0.0,,,,,,0.0,,,,0.0
CC(CCc1ccccc1)NC(=O)/C=C/c1ccccc1,CID5730620,,,,,,0.0,,,,,,,,,,,
CC(CCc1ccccc1)NC(=O)/C=C/c1ccc(F)cc1,CID5737071,,,,,,,,,,,,,,0.0,,,
COc1ccc(/C=C/C(=O)NC(C)CCc2ccccc2)cc1,CID5736849,,,,,,,,,,,,,,,0.0,,
Cc1noc(C)c1C(=O)N1CCOCC1,CID2741522,,,,,,,,,0.0,,,,,,0.0,,
CCc1noc(C)c1C(=O)N1CCOCC1,CID1245299,,,0.0,,,,,0.0,,,,,,,,,
Cc1noc(C)c1C(=O)N1CC(C)OC(C)C1,CID3751691,,,,,,0.0,,,,,,,,,,,
CCc1noc(C)c1C(=O)N1CC(C)OC(C)C1,CID3245328,,,,0.0,,0.0,,,,,,,,,,,
Cc1[nH]c2ccccc2c1Cc1n[nH]c(=S)n1C,CID806411,,,,,,,,,,,0.0,,,,0.0,,
C=CCn1c(Cc2c[nH]c3ccccc23)n[nH]c1=S,CID660101,,0.0,,0.0,,,,0.0,,,,,0.0,,,0.0,
Cn1c(Cc2c[nH]c3ccccc23)n[nH]c1=S,CID2768890,,,,,,0.0,,,,,,,,,,,
CCn1c(Cc2c(C)[nH]c3ccccc23)n[nH]c1=S,CID758311,,,0.0,0.0,,,,,,,,,0.0,0.0,,0.0,
Cc1ccc2nc(Nc3nc(=O)c4ccccc4n3C)nc(C)c2c1,CID647882,,0.0,0.0,,,,,0.0,,,,,0.0,,,,
Cc1nc(Nc2nc(=O)c3ccccc3n2C)nc2c(C)cccc12,CID656277,,,,0.0,,,,,,,,0.0,0.0,,,,0.0
COc1nc(Nc2nc(=O)c3ccccc3[nH]2)nc2ccc(C)cc12,CID698409,,0.0,,0.0,,,,,,,,,,,,,
Cc1cc(C)c2nc(Nc3nc(=O)c4ccccc4[nH]3)nc(C)c2c1,CID788080,,,,,,0.0,,,,,,,,,,,
COCCCNc1nc(=S)[nH]c2cc(OC)c(OC)cc12,CID3239921,,,,0.0,,,,,,,,,,,,0.0,
COCCNc1nc(=S)[nH]c2cc(OC)c(OC)cc12,CID3239316,,,,0.0,,,,,,,,,,,,0.0,
O=C(O)CCCCCNc1nc(=S)[nH]c2ccccc12,CID3238088,,,,0.0,,,,,,,0.0,,,,,,
CCOCCCNc1nc(=S)[nH]c2cc(OC)c(OC)cc12,CID3237310,,0.0,,,,,0.0,,,,,,,,,,
Cn1nc(C(=O)NCc2ccc(F)cc2)c2ccccc2c1=O,CID2085605,,,,,,,0.0,,,,0.0,,,,,,
Cn1nc(C(=O)NCc2ccccc2)c2ccccc2c1=O,CID1503600,,,,0.0,,,,,0.0,,,,0.0,,0.0,,
CC(NC(=O)c1nn(C)c(=O)c2ccccc12)c1ccc(F)cc1,CID2999469,,,,0.0,,,,,,,,0.0,,,,,
CC(NC(=O)c1nn(C)c(=O)c2ccccc12)c1ccccc1,CID2955469,,,,0.0,0.0,,0.0,,0.0,0.0,,,0.0,,,,
Cc1ccc(-n2c(Cn3nc(C(F)F)cc3C(F)F)n[nH]c2=S)cc1,CID999054,,,,,,,,,,,,,,0.0,,,
Cc1nn(C(C)c2n[nH]c(=S)n2-c2ccc(F)cc2)c(C)c1[N+](=O)[O-],CID4748301,,,,,,,,,,,0.0,0.0,,,,,
Cc1cccc(-n2c(Cn3nc(C)c([N+](=O)[O-])c3C)n[nH]c2=S)c1,CID5013791,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-n2c(C(C)n3nc(C)c([N+](=O)[O-])c3C)n[nH]c2=S)cc1,CID4748623,,,,,,,,,,,,0.0,,,,,
Cn1c(SCc2ccccc2F)nnc1-c1cnccn1,CID663324,0.0,,,0.0,0.0,0.0,,,,,,,,,,0.0,
Cn1c(SCc2ccccc2Cl)nnc1-c1cnccn1,CID662374,,0.0,,,0.0,,,,,,,,,,,,0.0
Cn1c(SCc2c(F)cccc2Cl)nnc1-c1cnccn1,CID663099,,,0.0,,0.0,,,,,,0.0,,,,,,0.0
CCn1c(SCc2ccc(C)cc2)nnc1-c1cnccn1,CID663123,0.0,0.0,,0.0,0.0,,0.0,,,,0.0,,,0.0,,0.0,
Cc1cc(Cl)ccc1OCCCC(=O)Nc1cccnc1,CID654203,,0.0,,,,,0.0,0.0,,,,,,,,0.0,0.0
CCOc1ccccc1OCCCC(=O)Nc1ccc(OC)nc1,CID2999530,,,0.0,0.0,0.0,,0.0,0.0,0.0,,0.0,,0.0,,,,
O=C(CCCOc1ccccc1)Nc1cccnc1,CID3148066,,,,,,,,,,0.0,,0.0,,,,,
COc1ccc(OCCCC(=O)Nc2cccnc2)cc1,CID4879650,,,,,,,,,,,0.0,,,,,,
Cc1cc(NC(=O)CSc2nnc3c(C)cc4ccccc4n23)no1,CID654200,,0.0,0.0,0.0,0.0,,,0.0,0.0,,0.0,,0.0,,,0.0,
Cc1cc(NC(=O)CSc2nnc3c(C)cc4cc(C)c(C)cc4n23)no1,CID655339,,,0.0,0.0,0.0,,,,,0.0,,,,,,0.0,
Cc1cc(C)c2c(c1)cc(C)c1nnc(SCC(=O)Nc3cc(C)on3)n12,CID646498,,,,,0.0,0.0,,0.0,,,0.0,,,,,0.0,
Cc1cc(NC(=O)CSc2nnc3c(C)cc4c(C)ccc(C)c4n23)no1,CID654574,,,,0.0,0.0,,,,,,0.0,,,,,0.0,
Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3nnnn3C3CCCCC3)CC3CCCO3)cc12,CID654209,,,0.0,,,,,,,0.0,,,,,,,
Cc1cc2cc(CN(Cc3nnnn3C3CCCCC3)CC3CCCO3)c(=O)[nH]c2cc1C,CID655151,,,0.0,,,,,,,,,,,,,,0.0
Cc1cc(C)c2cc(CN(Cc3nnnn3C3CCCCC3)CC3CCCO3)c(=O)[nH]c2c1,CID645885,,,,,,,0.0,,,0.0,,,,,,,
Cc1ccc2cc(CN(Cc3nnnn3C3CCCCC3)CC3CCCO3)c(=O)[nH]c2c1,CID650094,,0.0,0.0,,,,0.0,,,0.0,,,0.0,,0.0,,
CC1CCN(c2nnc(N)s2)CC1,CID3245273,,,0.0,,,,,,,,,,0.0,,,,
Nc1nnc(N2CCCCC2)s1,CID1500010,,,,,,,,,,,,,0.0,,,,
CC1CCCCN1c1nnc(N)s1,CID3237818,,,,0.0,,,,,,,,,,,,,
CC1CCCC(C)N1c1nnc(N)s1,CID5307348,,0.0,,,,,,,,0.0,,,,,,,
Cc1ccc(N2CC(C(=O)NCc3cccs3)CC2=O)cc1,CID2998754,0.0,0.0,0.0,,0.0,,0.0,0.0,,,0.0,,,,,,
Cc1ccc(N2CC(C(=O)NCc3cccs3)CC2=O)cc1C,CID3156925,,,,,,,,,,,0.0,0.0,,,,,
O=C(NCc1cccs1)C1CC(=O)N(c2ccccc2)C1,CID654468,0.0,,,,0.0,,0.0,,,,,0.0,,,0.0,,
O=C(NCc1cccs1)C1CC(=O)N(c2ccc(F)cc2)C1,CID653269,,,,,,0.0,,,,,,,0.0,,,,0.0
CCOC(=O)c1cc2c(ccn2C)n1Cc1ccc(C#N)cc1,CID1449812,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1cc2c(ccn2C)n1Cc1ccccc1C,CID652578,0.0,0.0,,,0.0,,,,,,,,,,,0.0,
Cc1ccccc1Cn1c(C(=O)OC(C)C)cc2c1ccn2C,CID1450722,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1cc2c(ccn2C)n1Cc1ccccc1Cl,CID1438773,,,,,,,,,,,,,,0.0,,,
Cc1ccc2c(c1)c1ncnc(N3CCOCC3)c1n2C,CID665580,,0.0,0.0,,,,,,,,,0.0,0.0,,,,
c1ccc2c(c1)[nH]c1c(N3CCOCC3)ncnc12,CID620261,,0.0,0.0,0.0,,,,0.0,,,,0.0,0.0,,,,
Cc1ccc2[nH]c3c(N4CCOCC4)ncnc3c2c1,CID657443,,,0.0,,,,0.0,,,,,0.0,0.0,0.0,,,
COc1ccc2[nH]c3c(N4CC(C)OC(C)C4)ncnc3c2c1,CID3832575,,,,,,0.0,,,,,,0.0,,,,,
Cc1ccc2c(c1)N(C(=O)c1ccco1)C(C)(C)c1ssc(=S)c1-2,CID1377936,,,,,,,,,0.0,,,,,0.0,,,
Cc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)c1ccco1,CID1116028,,,,,,,,,,,,,,0.0,,,
CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)c1ccco1,CID565200,,,,,0.0,0.0,,,0.0,,,,0.0,0.0,,,
Cc1cccc2c1N(C(=O)c1ccco1)C(C)(C)c1ssc(=S)c1-2,CID1120435,,,,,,0.0,,,,,,,,,,,
COc1ccc(Cn2c(CCC(=O)Nc3ccc(CC#N)cc3)nc3cccnc32)cc1,CID3238844,0.0,0.0,0.0,,,,0.0,,,,0.0,,,,,,
COc1ccc(Cn2c(CCC(=O)Nc3ccccc3)nc3cccnc32)cc1,CID6619626,,,,,,,,,,,,0.0,,,,,
CCc1ccc(NC(=O)CCc2nc3cccnc3n2Cc2ccc(OC)cc2)cc1,CID9550265,,,,,,0.0,,,,,,,,,0.0,,
COc1ccc(Cn2c(CCC(=O)Nc3ccc(C)cc3)nc3cccnc32)cc1,CID9551242,,,,,,0.0,,,,,,,,,,,
COc1cccc(CNC(=O)C2CCN(S(=O)(=O)N3CCCC3)CC2)c1,CID3242669,0.0,,0.0,,0.0,,,,,,,,,,,,0.0
COc1ccc(OC)c(CNC(=O)C2CCN(S(=O)(=O)N3CCCC3)CC2)c1,CID3238549,,,,,0.0,0.0,,0.0,,0.0,,,,,,0.0,0.0
CCOc1ccc(CNC(=O)C2CCN(S(=O)(=O)N3CCCC3)CC2)cc1OC,CID3240853,0.0,,,,0.0,0.0,,,,,,,,,,,0.0
COc1ccc(Br)cc1CNC(=O)C1CCN(S(=O)(=O)N2CCCC2)CC1,CID3242019,0.0,,,,,,,,,,,,,,,,0.0
CC1(c2ccccc2)NC(=O)N(CC(=O)N2CCOCC2)C1=O,CID2999402,,,,,,,,,,0.0,,0.0,0.0,,,,
CCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCOCC2)C1=O,CID2998155,,0.0,0.0,,,,0.0,,,,,,,,,,
CC(C)(C)C1(c2ccccc2)NC(=O)N(CC(=O)N2CCOCC2)C1=O,CID2969547,,,,,,,,,,0.0,,,,,,,
CC1CN(C(=O)CN2C(=O)NC(C)(c3ccccc3)C2=O)CC(C)O1,CID2998588,,,0.0,0.0,,,,,,,,,,,0.0,,
O=S(=O)(c1ccc(OCC(O)CN2CCN(c3ccc(F)cc3)CC2)cc1)N1CCOCC1,CID2999407,,,,,,,0.0,0.0,,,0.0,,,,,,0.0
O=S(=O)(c1ccc(OCC(O)CN2CCN(c3ccccc3O)CC2)cc1)N1CCOCC1,CID2999575,,,0.0,,0.0,,,,,,,,,,,,0.0
O=S(=O)(c1ccc(OCC(O)CN2CCN(c3ccccc3Cl)CC2)cc1)N1CCOCC1,CID2998739,0.0,,,,0.0,,,,0.0,,,,,,,,
O=S(=O)(c1ccc(OCC(O)CN2CCN(c3ccccc3)CC2)cc1)N1CCOCC1,CID2998389,,,,,0.0,,,,,,0.0,,,,,,0.0
Cc1nnc(NC(=O)c2ccncc2)s1,CID739643,,,,,,,,,,0.0,,,,,,,
CCc1nnc(NC(=O)c2ccncc2)s1,CID659441,,0.0,,0.0,,,,,,,,,0.0,,,,
CC(C)Cc1nnc(NC(=O)c2ccncc2)s1,CID2086878,,0.0,,,,,,,,,,0.0,0.0,,,0.0,
CCCc1nnc(NC(=O)c2ccncc2)s1,CID920424,,0.0,0.0,0.0,,,,,,0.0,0.0,,,,,,
O=C(c1cc(-c2ccc(F)cc2)on1)N1CCCC1,CID3241314,,,0.0,0.0,,0.0,,0.0,,,,,0.0,,,,
Cc1ccc(-c2cc(C(=O)N3CCCC3)no2)cc1,CID1093790,0.0,,,,,,0.0,,,,,,0.0,,,,
O=C(c1cc(-c2ccccc2)on1)N1CCCC1,CID973874,,,,0.0,,,,,,,,,,,,0.0,
O=C(c1cc(-c2ccc(Cl)c(Cl)c2)on1)N1CCCC1,CID5309055,0.0,0.0,,,,,0.0,,,0.0,,,,,,0.0,
CCOC(=O)c1cccc(NC(=O)CCS(=O)(=O)c2cccc3nsnc23)c1,CID3241311,,,,,0.0,,,,,,,,,,,,
CCOc1ccc(NC(=O)CCS(=O)(=O)c2cccc3nsnc23)cc1,CID3239782,,,0.0,,0.0,,,,,0.0,,,0.0,,,,
Cc1cccc(NC(=O)CCS(=O)(=O)c2cccc3nsnc23)c1C,CID9550322,,,,,,,,,,,,0.0,,,,,
CC(=O)c1cccc(NC(=O)CCS(=O)(=O)c2cccc3nsnc23)c1,CID9550546,,,,,,,,,,,,,,0.0,,,
Cc1ccc2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)[nH]c2c1,CID2162573,,,,,,,,,,,,0.0,,0.0,,,
COc1ccc2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)[nH]c2c1,CID1304709,,,,,0.0,0.0,,,,,,,,0.0,,,
CCOc1ccc2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)[nH]c2c1,CID1293052,,,,,,,,,,,0.0,,,,,,
O=C(CSc1nc2ccccc2[nH]1)Nc1ccc2c(c1)OCCO2,CID2365088,,,,,0.0,,,,,,,,0.0,0.0,,,
O=C(c1cc2cc(Br)ccc2oc1=O)N1CCCC1,CID974497,,,,,,,,,,,,0.0,,,,,
O=C(c1cc2ccccc2oc1=O)N1CCCC1,CID28912,,,,0.0,,,,,0.0,0.0,0.0,,,,0.0,0.0,
COc1ccc2oc(=O)c(C(=O)N3CCCC3)cc2c1,CID1088810,,,,,,,,,,,,,,,0.0,,
O=C(c1cc2cc(Cl)ccc2oc1=O)N1CCCC1,CID1260107,,0.0,0.0,0.0,,,,,,0.0,,,,,,,0.0
Cc1csc(NC(=O)CSc2nnc(C)s2)n1,CID974496,,,,,0.0,,0.0,,0.0,,,,,,,,
Cc1nnc(SCC(=O)Nc2nccs2)s1,CID649689,,,,,0.0,,,,,,,,,,,,
CCC(Sc1nnc(C)s1)C(=O)Nc1nccs1,CID2952251,,,,,0.0,,,,0.0,,,,,,,,
Cc1cnc(NC(=O)CSc2nnc(C)s2)s1,CID971169,,,,,,,,,0.0,,,,,,,,
COc1ccc(CN(CC(=O)NCC2CCCO2)C(=O)CNS(=O)(=O)c2ccc(C)cc2)cc1,CID651500,,,,,0.0,,,,0.0,,,0.0,,,,,0.0
COc1ccccc1CN(CC(=O)NCC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(C)cc1,CID655743,,,,,0.0,,,,0.0,,0.0,,,,,,0.0
COc1cccc(CN(CC(=O)NCC2CCCO2)C(=O)CNS(=O)(=O)c2ccccc2)c1,CID3206783,,,,,,,,,0.0,,0.0,,,,,,
Cc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCC2CCCO2)Cc2ccccc2)cc1,CID648733,,,,,0.0,,,,,0.0,,,0.0,,,0.0,0.0
CC(=O)N(Cc1ccc2c(c1)OCO2)C1CC(=O)N(CCc2ccccc2)C1=O,CID2867055,,,,,0.0,0.0,,,0.0,,,,,,,,
O=C1CC(NCc2ccc3c(c2)OCO3)C(=O)N1CCc1ccccc1,CID2859698,0.0,0.0,0.0,0.0,,,0.0,,0.0,,,,,,,,
COc1ccc(CCN2C(=O)CC(NCc3ccc4c(c3)OCO4)C2=O)cc1OC,CID653851,,,,0.0,,,0.0,0.0,,,,,,,,,
O=C(O)/C=C/C(=O)N(Cc1ccc2c(c1)OCO2)C1CC(=O)N(CCc2ccccc2)C1=O,CID5760722,,,,,,,,,,,,,,0.0,,,
COC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCN(C)C3,CID658229,0.0,,,,0.0,,,,,,,,,,,,
COCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCN(C)C3,CID664592,,0.0,0.0,,,,0.0,,0.0,0.0,0.0,,0.0,,0.0,,
CN1CCc2c(sc3nc(SCC(N)=O)n(-c4ccccc4)c(=O)c23)C1,CID664249,,0.0,,,0.0,,,,0.0,,,,0.0,,,,
COc1ccc(-n2c(SCC(N)=O)nc3sc4c(c3c2=O)CCN(C)C4)cc1,CID659205,,,,,,,,,0.0,0.0,,,,,,0.0,
CCCc1nc(N2CCOCC2)c(C#N)c2c1CCCC2,CID658226,,0.0,,,,,,,,,,,,,,,0.0
CC(C)c1nc(N2CCOCC2)c(C#N)c2c1CCCC2,CID807848,,,,,,,,,,,,,0.0,,,,
CCc1nc(N2CCOCC2)c(C#N)c2c1CCCC2,CID658975,,0.0,,,,,,,,,0.0,,,,,,
CCCCc1nc(N2CCOCC2)c(C#N)c2c1CCCC2,CID658242,,0.0,0.0,,,,,,,,,,,,,,
COc1ccc(OCCN2C(=O)NC(C)(c3ccc(C)cc3)C2=O)cc1,CID3000096,0.0,,0.0,0.0,,,,,0.0,,,,,,,,0.0
Cc1cccc(C)c1OCCN1C(=O)NC(C)(c2ccccc2)C1=O,CID4878039,,,,,,,,,,,,,,,0.0,,
CC1(c2ccccc2)NC(=O)N(CCOc2ccccc2)C1=O,CID2998779,0.0,,,0.0,,0.0,,0.0,0.0,0.0,,,0.0,,,,0.0
Cc1ccc(C2(C)NC(=O)N(CCOc3ccccc3)C2=O)cc1,CID4877250,,,,,,,,,,,,,,0.0,,,
O=C(ON=C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(Cl)cc1,CID1479958,,,,,,,,,,,,0.0,,,0.0,,
O=C(ON=C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1,CID1489039,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C(=O)ON=C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1,CID1479960,,,,,,0.0,,,,,,,,,0.0,,
O=C(ON=C1CCN(S(=O)(=O)c2ccccc2)CC1)c1cccc(Cl)c1,CID1479961,,,,,,,,,,,,0.0,,,0.0,,
O=C(c1ccc2c(c1)OCO2)N1CCN(c2ccc(Cl)cc2)CC1,CID868758,,0.0,,0.0,,,,,,,,,0.0,,,0.0,0.0
O=C(c1ccc2c(c1)OCO2)N1CCN(c2ccc(F)cc2)CC1,CID647876,,,,,,,,,,0.0,,0.0,,,,,
COc1ccc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1,CID762514,0.0,0.0,,,,0.0,0.0,,,,,,,,,,
O=C(c1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1,CID660185,0.0,,,,,,,,,,,0.0,,,0.0,,
COc1ccc(CNC2=CC(=O)CC(C)(C)C2)cc1,CID774190,,,,,,,,0.0,,0.0,0.0,,,,,0.0,
O=C1C=C(NCc2ccccc2)CCC1,CID319575,,,,,,,,,,,,,,0.0,,,
O=C1C=C(NCc2ccc(Cl)cc2)CCC1,CID975254,,,,,,,,,,,,,,,0.0,,
CC1(C)CC(=O)C=C(NCc2ccccc2)C1,CID288323,,,,,,0.0,,,,,,,,,,,
C=CCN1CC(=O)C(c2ccccc2)=C1N,CID2315607,0.0,,,0.0,,,,,,0.0,,0.0,,,,,
CC(C)N1CC(=O)C(c2ccccc2)=C1N,CID2316232,,,,,,,,,,0.0,,,,,,,
CCCCCN1CC(=O)C(c2ccccc2)=C1N,CID2331909,,,,,,,,,,0.0,,0.0,,,,,
NC1=C(c2ccccc2)C(=O)CN1CCO,CID2322930,,,,,,,,,,,,,,0.0,,,
O=C1C2CC=CCC2C(=O)N1Cc1ccccc1,CID250491,,,,,,,,,,,0.0,,,,,,
CC1=CCC2C(=O)N(C(C)c3ccccc3)C(=O)C2C1,CID2971730,,,,,,,,,,0.0,,,,,,,
CC1=CCC2C(=O)N(Cc3ccccc3)C(=O)C2C1,CID2864997,,,,,,,,,,0.0,,0.0,,,,,
COc1ccccc1CN1C(=O)C2CC=CCC2C1=O,CID3242264,,,,,,,,0.0,,0.0,,,0.0,,,,0.0
CCNC(=O)CC1C(=O)N(c2ccccc2)C(=O)N1CCc1ccc(OC)c(OC)c1,CID2962759,,,,,,,,,0.0,0.0,,0.0,,,,,
CCNC(=O)CC1C(=O)N(c2ccccc2)C(=O)N1CCc1ccc(OC)cc1,CID3237379,,,,,0.0,,,0.0,0.0,0.0,,,,,,,
CCNC(=O)CC1C(=O)N(c2ccc(C)cc2)C(=O)N1CCc1ccc(OC)c(OC)c1,CID9551509,,,,,,0.0,,,,,,,,,,,
CCNC(=O)CC1C(=O)N(c2ccc(F)cc2)C(=O)N1CCc1ccc(OC)cc1,CID3236775,,,,,,0.0,,,,,,,,,,,
CCOC(=O)N1CCN(C(=O)c2cc3cc(Br)ccc3oc2=O)CC1,CID1045607,0.0,,,,,,,,0.0,,0.0,0.0,,,,0.0,
C=CCc1cccc2cc(C(=O)N3CCN(C(=O)OCC)CC3)c(=O)oc12,CID648963,,,0.0,,,,,0.0,,,,,0.0,,,,
CN1CCN(C(=O)c2cc3ccccc3oc2=O)CC1,CID673618,,,,,,,,,,0.0,,,,,,,
CS(=O)(=O)N1CCN(C(=O)c2cc3ccccc3oc2=O)CC1,CID1245773,,,,,,,,,,,,,,,,0.0,0.0
CCOC(=O)c1c(C)[nH]c(=S)c(C#N)c1-c1ccccc1,CID791500,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1c(C)[nH]c(=S)c(C#N)c1-c1ccc(Cl)cc1,CID737146,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1c(C)[nH]c(=S)c(C#N)c1-c1ccc(OC)cc1,CID3004982,,,,,,,,,,,,0.0,,,,,
N#Cc1c(N)[nH]c(=S)c(C#N)c1-c1ccccc1,CID780902,,0.0,,0.0,,,,,,0.0,,,0.0,,,,
CCc1ccc2oc(=O)cc(CN3CCOCC3)c2c1,CID664340,,0.0,,,,,,,,0.0,0.0,,0.0,,,,0.0
Cc1cc2oc(=O)cc(CN3CCOCC3)c2cc1C,CID945414,,,,,,,,,,0.0,,,,0.0,,,
Cc1ccc2oc(=O)cc(CN3CCOCC3)c2c1,CID599866,,,,,,,0.0,0.0,,0.0,,,,,,0.0,0.0
Cc1cc(C)c2oc(=O)cc(CN3CCOCC3)c2c1,CID664323,,,,,,,0.0,0.0,,0.0,0.0,,,,0.0,0.0,0.0
Cc1cc(C)nc(N2CCN(c3ncnc4c3oc3ccccc34)CC2)n1,CID664348,,,0.0,,,,,,,,,,,,,,
Cc1nc(N2CCN(c3ncccn3)CC2)c2oc3ccccc3c2n1,CID665314,,0.0,0.0,0.0,,,,,,,,,,,,,
c1cnc(N2CCN(c3ncnc4c3oc3ccccc34)CC2)nc1,CID660262,,0.0,0.0,0.0,,,,0.0,,,,,,,,,
Cc1cc(C)nc(N2CCN(c3nc(C)nc4c3oc3ccccc34)CC2)n1,CID663675,,0.0,0.0,,,,,,,,,,,,,,
CC1(C)Cc2c(sc3c2c(=N)n(Cc2ccco2)c(=O)n3Cc2ccc(Cl)cc2)CO1,CID665030,,0.0,,,0.0,0.0,,,,,,,0.0,,,,
CC1(C)Cc2c(sc3c2c(=N)n(Cc2ccco2)c(=O)n3Cc2ccccc2)CO1,CID665363,0.0,,0.0,0.0,0.0,,,,,,,,0.0,,,,0.0
CC1(C)Cc2c(sc3c2c(=N)n(Cc2ccco2)c(=O)n3Cc2ccc(F)cc2)CO1,CID665222,,,,,0.0,0.0,0.0,,,,,,,,,,0.0
COc1ccc(Cn2c(=O)n(Cc3ccco3)c(=N)c3c4c(sc32)COC(C)(C)C4)cc1,CID665319,,,,,0.0,,,,,,0.0,,,,,,0.0
COc1ccc(NC2=CC(c3ccc(OC)c(OC)c3)N(c3ccc(OC)cc3)C2=O)cc1,CID2865100,,,,,,,,,,,,,,0.0,,,
COc1ccc(C2C=C(Nc3ccccc3)C(=O)N2c2ccccc2)c(OC)c1,CID2878862,,,,,,0.0,,,,,,,,,,,
O=C(O)CC1=C(Nc2ccccc2)C(=O)N(c2ccccc2)C1c1ccc(Br)cc1,CID2868636,,,,,,,,,,,,,,,0.0,,
COc1cccc(C2C=C(Nc3ccccc3)C(=O)N2c2ccccc2)c1,CID2879518,,,,,,,,,,,,,,0.0,,,
Cc1ccc(N2C(=O)C(Cl)=C(N3CCN(C)CC3)C2=O)c(C)c1,CID710585,,,,,,,,,,0.0,,,,,,,
CN1CCN(C2=C(Cl)C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CC1,CID1180676,,,,,,,,,,,,,,0.0,,,
CN1CCN(C2=C(Cl)C(=O)N(c3ccc(Cl)cc3)C2=O)CC1,CID648594,0.0,,,,,,0.0,,,0.0,,,0.0,,,,
CN1CCN(C2=C(Cl)C(=O)N(c3cccc(Cl)c3)C2=O)CC1,CID720528,0.0,,,0.0,,,,,,0.0,,,,,,,
CN(C)c1ccc(/C=C(\Cl)c2nc3ccccc3s2)cc1,CID6181255,,,,,,,,,,,,,,,0.0,,
CCN(CC)c1ccc(/C=C/c2nc3ccccc3s2)cc1,CID5739533,,,,,,0.0,,,,,,,,,,,
COC(=O)c1ccc(/C=C(\C#N)c2nc3ccccc3s2)cc1,CID5734118,,,,,,0.0,,,,,,,,,,,
Cc1ccc(/C=C(\C#N)c2nc3ccccc3s2)cc1,CID5343911,,,,,,0.0,,,,,,,,,,,
COC(=O)C1C2C=CC3(CN(C4CCCC4)C(=O)C13)O2,CID654906,,,,,,0.0,,,,0.0,,,,,,,0.0
CCOC(=O)C1C2C=CC3(CN(C4CCCC4)C(=O)C13)O2,CID651859,,,0.0,,,,,,,,,,,,,,
CC(C)COC(=O)C1C2C=CC3(CN(C4CCCC4)C(=O)C13)O2,CID3699010,,,,,,,,,,,,,0.0,,,,
O=C(O)C1C2C=CC3(CN(C4CCCC4)C(=O)C13)O2,CID2772052,,,,,,,,,,0.0,,,0.0,,,,0.0
O=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)NCCc1ccccc1,CID5310299,,0.0,,,,,,,,,,,,,,,0.0
O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)NCCc1ccccc1,CID3241280,0.0,0.0,,0.0,,,,,,,0.0,,,,,,
O=C(Cn1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O)NCCc1ccccc1,CID3245432,0.0,,,,,,,,,,,,,,,,
COc1ccc(CCNC(=O)Cn2cnc3c(cnn3-c3ccccc3Cl)c2=O)cc1OC,CID644561,0.0,,,,,0.0,0.0,,,,,,0.0,,,0.0,
COc1cccc(NC(=O)CSc2nnc(COc3ccc4c(c3)CCCC4)o2)c1,CID1315980,0.0,0.0,0.0,,0.0,,,0.0,0.0,0.0,0.0,,,,,,0.0
CCc1ccc(NC(=O)CSc2nnc(COc3ccc4c(c3)CCCC4)o2)cc1,CID1333705,,,,,,0.0,,,,,,,,,,,
O=C(CSc1nnc(COc2ccc3c(c2)CCCC3)o1)Nc1ccc(F)cc1,CID1317137,0.0,0.0,,0.0,,,0.0,,,,,,,,,,0.0
COC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccc4c(c3)CCCC4)o2)cc1,CID1315748,,0.0,,,,,,,,,,,0.0,,,,
CCCCN/C(C)=C1/C(=O)Oc2ccccc2C1=O,CID5310879,,,,,,,,,,,0.0,,,,,,
CN/C(C)=C1/C(=O)Oc2ccccc2C1=O,CID6289256,,,,,,,,,0.0,,,,,,,,
O=C(O)CCCN/C=C1/C(=O)Oc2ccccc2C1=O,CID6166835,,,,,,,,,,,,,,0.0,,,
CCCCCN/C(C)=C1/C(=O)Oc2ccccc2C1=O,CID5310659,,0.0,,,,,,,,0.0,,,,,,,
O=C1C2C3C=CC(C3)C2C(=O)N1CNc1ccc(O)cc1,CID653295,,,,,,,,1.0,,,0.0,,,,,,0.0
Cc1ccccc1NCN1C(=O)C2C3C=CC(C3)C2C1=O,CID2876457,,,,,,,,0.0,,,0.0,,,,,,
O=C1C2C3C=CC(C3)C2C(=O)N1CNc1ccccc1,CID2876149,,,,,,,,,,0.0,,,0.0,,,,
Cc1ccc(NCN2C(=O)C3C4C=CC(C4)C3C2=O)cc1,CID2876195,,,,,,,,,,,,,,,,,0.0
Cn1c(=O)c2c(nc(N3CCCCC3)n2CCSc2nc3ccccc3s2)n(C)c1=O,CID663085,,0.0,,,,0.0,0.0,,,0.0,,,,,,0.0,0.0
CC1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CCSc2nc3ccccc3s2)CC1,CID664341,,0.0,,,,,0.0,,,,,,,,,,0.0
Cn1c(=O)c2c(nc(N3CCC(C(N)=O)CC3)n2CCSc2nc3ccccc3s2)n(C)c1=O,CID661491,,0.0,,0.0,,,,,,,0.0,,,,,,
CC1CCCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CCSc2nc3ccccc3s2)C1,CID667037,,0.0,,0.0,,0.0,,,,,,0.0,,,,,0.0
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1OC,CID663081,,,0.0,,0.0,,0.0,,,0.0,,,0.0,0.0,,,
CCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1,CID1289924,,,,,,,,,0.0,,,,,,,,
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C,CID1303250,,,,,,0.0,,,0.0,,0.0,,,,0.0,,
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1,CID652426,,,,,0.0,,0.0,,0.0,,,,,,,,
CSc1nc(N)nc(SCC(=O)c2ccccc2)c1C#N,CID683719,0.0,0.0,,0.0,0.0,0.0,,,0.0,0.0,0.0,,,,,,0.0
Cc1cc(SCC(=O)c2ccccc2)nc(C)n1,CID665089,,,,,,,0.0,0.0,,,,0.0,0.0,,0.0,0.0,0.0
COc1ccc(C(=O)CSc2nc(N)nc(SC)c2C#N)cc1,CID1889728,,,,,,,,,0.0,0.0,,,,,,,
CSc1nc(N)nc(SCC(=O)c2ccc(C)cc2)c1C#N,CID683718,0.0,,,0.0,0.0,,0.0,,0.0,,,,,,,,
Cc1cccc(CSc2ncnc3c2cnn3Cc2ccccc2)c1,CID2019908,,,,,,,,,,,0.0,,,,,,
N#Cc1ccc(CSc2ncnc3c2cnn3Cc2ccccc2)cc1,CID665854,0.0,0.0,,,0.0,0.0,0.0,,,,0.0,,0.0,,,0.0,0.0
Cc1ccc(CSc2ncnc3c2cnn3Cc2ccccc2)cc1C,CID1944037,,,,,,,,,0.0,0.0,,,,,,,
Cc1ccc(CSc2ncnc3c2cnn3Cc2ccccc2)cc1,CID2045154,,,,,,,,,,0.0,,,,,,,
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1C,CID1338981,,,,,,,,,,,,,,0.0,,,
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(C)c3C)C2=O)cc1,CID1879701,,,,,,0.0,,,,,,,,,,,
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(C)c2C)C1=O,CID1867778,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(C)c3C)C2=O)c1,CID1832425,,,,,,,,,,,,,,,0.0,,
Cc1cccnc1NC(=O)COc1ccc2oc3c(c2c1)CCCC3,CID655831,0.0,0.0,0.0,,0.0,,,,0.0,,,0.0,,,,,0.0
O=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1ccccn1,CID648450,,,,0.0,0.0,,,,0.0,,,,,,,,0.0
Cc1ccc(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)nc1,CID975117,0.0,,,0.0,0.0,,,,0.0,,,,,,,,
Cc1ccnc(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)c1,CID895419,,,,,0.0,,,0.0,,,,,,,,,
COCCn1c(SCc2nc(N)nc(Nc3ccccc3C)n2)nc2ccccc2c1=O,CID2108712,,,,,,,,,,0.0,0.0,,,,,,
Cc1ccccc1Nc1nc(N)nc(CSc2nc3ccccc3c(=O)n2CCCO)n1,CID2575423,,0.0,,,,,,,,,0.0,,0.0,,,,
CCCCn1c(SCc2nc(N)nc(Nc3ccccc3C)n2)nc2ccccc2c1=O,CID2604369,,,,,,,,,,,,,,,0.0,,
Cc1ccccc1Nc1nc(N)nc(CSc2nc3ccccc3c(=O)n2C)n1,CID2542419,,,,,,,,,,,,,,,0.0,,
O=C(NCc1cccnc1)c1ccc(CS(=O)(=O)Cc2ccc(Cl)cc2)o1,CID3236365,,,,,0.0,,,,,0.0,,0.0,,,,,0.0
Cc1ccccc1CS(=O)(=O)Cc1ccc(C(=O)NCc2cccnc2)o1,CID3236580,,,0.0,0.0,,,,0.0,,0.0,,,0.0,,,0.0,
Cc1cccc(CS(=O)(=O)Cc2ccc(C(=O)NCc3cccnc3)o2)c1,CID3238668,,,0.0,,,,,,,0.0,,,0.0,,,0.0,
Cc1ccc(CS(=O)(=O)Cc2ccc(C(=O)NCc3cccnc3)o2)cc1,CID3242582,,,0.0,,,,,,,,0.0,,,0.0,,0.0,
CC(C)Cn1c(N)c(C(=O)NCCN2CCOCC2)c2nc3ccccc3nc21,CID659035,,0.0,,,,,,,,,,,0.0,,,0.0,
CCCCCn1c(N)c(C(=O)NCCN2CCOCC2)c2nc3ccccc3nc21,CID1917188,,0.0,0.0,,,,,,,,,,,0.0,,,
CCCCn1c(N)c(C(=O)NCCN2CCOCC2)c2nc3ccccc3nc21,CID1912725,,0.0,,0.0,,,,,,,,,0.0,,,,0.0
CCCCCCn1c(N)c(C(=O)NCCN2CCOCC2)c2nc3ccccc3nc21,CID659309,,0.0,0.0,,,,,,,,,,,,,,
Cn1c(=O)c2c3c(sc2n2c(SCC(=O)c4ccc(Cl)cc4)nnc12)COC(C)(C)C3,CID658920,,,,,,,,,,,,,0.0,,,,
CCC1(C)Cc2c(sc3c2c(=O)n(C)c2nnc(SCC(=O)c4ccc(Cl)cc4)n32)CO1,CID659400,,,,,,,,,,0.0,,,,,,,
CCC1(C)Cc2c(sc3c2c(=O)n(C)c2nnc(SCC(=O)c4ccccc4)n32)CO1,CID2937065,,,,,,,,,,,0.0,,,,,0.0,0.0
Cn1c(=O)c2c3c(sc2n2c(SCC(=O)c4ccccc4)nnc12)COC(C)(C)C3,CID658145,0.0,0.0,0.0,,0.0,,,,,0.0,0.0,,,,,,
Cn1c(O)cc(=O)nc1SCC(=O)Nc1cccc2ccccc12,CID658924,0.0,0.0,,0.0,0.0,,,,,,,,,,,0.0,
C=CCn1c(N)cc(=O)nc1SCC(=O)Nc1cccc2ccccc12,CID1307031,,,,,,,,,,0.0,,,,0.0,,,
C=CCn1c(SCC(=O)Nc2cccc3ccccc23)nc(=O)c(CC)c1O,CID1379324,,,,,,,,,,,,,,0.0,,,
C=CCn1c(N)cc(=O)nc1SC(C)C(=O)Nc1cccc2ccccc12,CID3153400,,,,,,,,,,0.0,,,,,,,
COc1ccccc1CNC(=O)CCC(=O)Nc1nnc(C(C)C)s1,CID1400789,,,,,,,,,0.0,,,,,,,,
CCCc1nnc(NC(=O)CCC(=O)NCc2ccccc2OC)s1,CID1414750,,,,,,,,,0.0,0.0,,,,,,,
COc1ccccc1CNC(=O)CCC(=O)Nc1nnc(C)s1,CID663498,,0.0,,0.0,,,0.0,0.0,0.0,0.0,0.0,0.0,,,,0.0,
CCc1nnc(NC(=O)CCC(=O)NCc2ccccc2OC)s1,CID938952,,,,,,0.0,,,0.0,,,,,,,,
COc1ccc(N2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3Cc3ccccc3Cl)CC2)cc1,CID1419711,0.0,,0.0,,,,,,,,,,,,,,
Cc1cccc(Cn2c(N3CCN(c4ccccc4)CC3)nc3c2c(=O)n(C)c(=O)n3C)c1,CID651557,0.0,,0.0,,,,,,,0.0,,,,,,,0.0
COc1ccc(N2CCN(c3nc4c(c(=O)n(C)c(=O)n4C)n3Cc3ccccc3)CC2)cc1,CID665006,,0.0,0.0,,,,,,,,0.0,0.0,,,0.0,,
COc1ccc(N2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3Cc3cccc(C)c3)CC2)cc1,CID646003,0.0,,,0.0,,,,,,,,,,,0.0,,0.0
CC1CCCC(C)N1C(=O)CSc1nnc(CSc2ncccn2)n1C,CID645198,,,,,,0.0,0.0,,,,0.0,,,,,,0.0
CC1CCCCN1C(=O)CSc1nnc(CSc2ncccn2)n1C,CID3227084,,,,,,0.0,,,,,,,,,,,
Cn1c(CSc2ncccn2)nnc1SCC(=O)N1CCCCC1,CID649717,0.0,0.0,,,,,0.0,,,,,,,,0.0,,
CC1CCN(C(=O)CSc2nnc(CSc3ncccn3)n2C)CC1,CID649056,0.0,0.0,,0.0,,,,,,,,,,,,0.0,0.0
COc1ccccc1N1CCN(C(CNC(=O)c2ccc3c(c2)OCO3)c2cccnc2)CC1,CID3236983,0.0,,,,,0.0,0.0,,,,,,,,,,0.0
COc1ccc(N2CCN(C(CNC(=O)c3ccc4c(c3)OCO4)c3cccnc3)CC2)cc1,CID3239264,,0.0,0.0,,,,0.0,,,,,,,,,,0.0
O=C(NCC(c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)c1ccc2c(c1)OCO2,CID3243246,,,,,,0.0,0.0,,0.0,,,,,,,,0.0
O=C(NCC(c1cccnc1)N1CCN(c2ccccc2)CC1)c1ccc2c(c1)OCO2,CID3241850,,0.0,,,,,,,,,,,,,0.0,,0.0
Cc1sc(NC(=O)CSc2nnc(-c3ccccc3)o2)c(C#N)c1C,CID645191,,0.0,0.0,0.0,0.0,0.0,,,0.0,,0.0,,0.0,0.0,,,0.0
N#Cc1ccsc1NC(=O)CSc1nnc(-c2ccccc2)o1,CID2390774,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1c(NC(=O)CSc2nnc(-c3ccccc3)o2)sc(C(C)=O)c1C,CID2198332,,,,,,,,,,,1.0,,,,,,
Cc1sc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)c(C#N)c1C,CID656163,0.0,0.0,0.0,,0.0,0.0,,,,,0.0,,,0.0,,,
CCc1nc(SCC(=O)Nc2cc(C)on2)c2c(C)c(C)sc2n1,CID645193,0.0,0.0,0.0,,0.0,0.0,,,,0.0,,,0.0,,,0.0,
Cc1cc(NC(=O)CSc2nc(C(C)C)nc3sc(C)c(C)c23)no1,CID655538,0.0,0.0,,,0.0,,0.0,,0.0,,0.0,,,,,,
Cc1nc(SCC(=O)Nc2cc(C)on2)c2c(C)c(C)sc2n1,CID653561,0.0,0.0,,,0.0,,,,0.0,0.0,,,,,,,
Cc1cc(NC(=O)CSc2ncnc3sc(C)c(C)c23)no1,CID859554,,,,,,,,,,,,,,0.0,,,
Cc1ccc2c(C(=O)CN3CCC4(CC3)OCCO4)c(C)[nH]c2c1,CID946982,,,,,,,,,,,,0.0,,,,,
COc1ccc2c(c1)c(C(=O)CN1CCC3(CC1)OCCO3)c(C)n2C,CID664758,,,,0.0,,,0.0,,,,,,,,0.0,,
Cc1ccc2[nH]cc(C(=O)CN3CCC4(CC3)OCCO4)c2c1,CID665793,,,,0.0,,,,,,,,,,,,,
O=C(CN1CCC2(CC1)OCCO2)c1c[nH]c2ccccc12,CID664368,0.0,0.0,,,,,0.0,0.0,0.0,0.0,,,,,,,
O=c1/c(=C/c2ccc(-c3ccc(Cl)cc3)o2)sc2nc3ccccc3n12,CID1902136,,,,,,0.0,,,,,,,,,,,
COC(=O)c1ccccc1-c1ccc(/C=c2\sc3nc4ccccc4n3c2=O)o1,CID2140595,,,,,,0.0,,,,,,,,,,,
COC(=O)c1ccc(-c2ccc(/C=c3/sc4nc5ccccc5n4c3=O)o2)cc1,CID1372274,,,,,,0.0,,,,,,,,,,,
Cc1cc(C)c([N+](=O)[O-])cc1-c1ccc(/C=c2\sc3nc4ccccc4n3c2=O)o1,CID1379680,,,,,,0.0,,,,,,,,,,,
O=C(COC(=O)c1cccs1)NCC1CCCO1,CID3000115,,,,,,,,,0.0,,,,,,,,
Cc1ccsc1C(=O)OCC(=O)NCC1CCCO1,CID3000179,,,,0.0,,,,0.0,0.0,,,,,,,0.0,
CC(OC(=O)c1cccs1)C(=O)NCC1CCCO1,CID650527,,,,,,,,0.0,0.0,,0.0,,,,,,
CC(C)CC(OC(=O)c1cccs1)C(=O)NCC1CCCO1,CID648442,,,0.0,,,,,,0.0,,,,,,,,
COc1ccccc1CNC(=O)C1CCN(Cc2nc(-c3cccc(Cl)c3)oc2C)CC1,CID3245272,0.0,,0.0,,,0.0,,,,,,,0.0,,,,
CCc1ccc(-c2nc(CN3CCC(C(=O)NCc4ccc(F)cc4)CC3)c(C)o2)cc1,CID3235853,0.0,,,,,0.0,,,,,,,,,,,0.0
CCc1ccc(-c2nc(CN3CCC(C(=O)NCc4ccccc4OC)CC3)c(C)o2)cc1,CID3236520,0.0,0.0,,,,,,0.0,,,,,0.0,,,,
COc1ccccc1CNC(=O)C1CCN(Cc2nc(-c3ccc(Cl)cc3)oc2C)CC1,CID3237800,0.0,,0.0,,,,,,,,,,,,,,
CC(C)c1nc(SCC(=O)NCc2ccccc2)n[nH]1,CID2109903,,0.0,,,,,,0.0,,0.0,,,,,,0.0,
CC(C)Cc1nc(SCC(=O)NCc2ccccc2)n[nH]1,CID974983,,0.0,,0.0,,,0.0,,,,,,,,,,
Nc1nc(SCC(=O)NCc2ccccc2)n[nH]1,CID2343301,,,,,,,,,,0.0,,,,,,,
Cc1ccc(CNC(=O)CSc2n[nH]c(N)n2)cc1,CID2410712,,,,,,,,,0.0,0.0,,,,,,0.0,
O=C1CCCc2ccccc2N1Cc1cccc(Cl)c1,CID1474985,,,,,,0.0,,,,,,,,0.0,,,
COc1ccc(CN2C(=O)CCCc3ccccc32)cc1,CID1474984,,,,,,,,,,,,,,0.0,,,
O=C1CCCc2ccccc2N1Cc1ccccc1Cl,CID1474992,,,,,,0.0,,,,,,,,,,,
O=C1CCCc2ccccc2N1Cc1ccc(Cl)cc1,CID1474990,,,,,,0.0,,,,,,,,0.0,,,
Cc1ccc(C)c(SCC(=O)Nc2cccnc2Cl)c1,CID2616165,,,,,,,,,,,,,,0.0,,,
O=C(CSc1ccccc1)Nc1cccnc1,CID801624,,,,,0.0,,0.0,,,,,,,,,,
Cc1ccc(SC(C)C(=O)Nc2cccnc2)cc1,CID2948436,,,,,,,,,,,,0.0,,,,,
COc1ccc(NC(=O)CSc2ccccc2)cn1,CID2486887,,,,,,,,,,,,,,,0.0,,
O=C(CSc1nncn1-c1ccccc1)NCc1cccs1,CID2491904,,,,,,,,,,0.0,,,,,,,
COc1ccccc1-n1cnnc1SCC(=O)NCc1cccs1,CID2479862,,,,,,,,,,,0.0,,,,0.0,,
Cc1nnc(SCC(=O)NCc2cccs2)n1-c1ccccc1,CID832346,0.0,0.0,,0.0,0.0,,0.0,,,,0.0,,,0.0,,,
COc1ccc(-n2cnnc2SCC(=O)NCc2cccs2)cc1,CID2480363,,,,,,,,,0.0,0.0,0.0,,,0.0,,,
OCc1ccccc1OCCOc1ccc(Cl)c2cccnc12,CID2216431,,,,0.0,,,,,,,,,,0.0,,0.0,
Cc1cc(OCCOc2cccc3cccnc23)c(C)cc1Cl,CID2284632,,,,,,0.0,,,,,,,,,,,
CC(=O)c1ccc(OCCOc2ccc(Cl)c3cccnc23)cc1,CID2216207,,,,,,,,,,,,,,0.0,,,
Cc1cc(OCCOc2cccc3cccnc23)cc(C)c1Cl,CID2282895,,,,,,,,,,,,,,0.0,,,
Cc1cccc2cc(COC(=O)c3ccco3)c(=O)[nH]c12,CID663713,,,,,,,,,0.0,,,,,,0.0,0.0,0.0
O=C(OCc1cc2ccccc2[nH]c1=O)c1ccco1,CID663884,,,,,,,0.0,0.0,0.0,,,,0.0,0.0,0.0,0.0,
COc1ccc2[nH]c(=O)c(COC(=O)c3ccco3)cc2c1,CID944701,,,,,,,,,,,,,,0.0,,,
Cc1ccc2cc(COC(=O)c3ccco3)c(=O)[nH]c2c1,CID945887,,,,,,,,,0.0,0.0,,,,,0.0,,
COc1ccc(NC2=Nc3ccccc3CC2)cc1,CID780382,0.0,,,0.0,,,,,,0.0,0.0,,,,,,
c1ccc(NC2=Nc3ccccc3CC2)cc1,CID780385,,,,,,,,,,,,0.0,,,,,
Cc1ccc(NC2=Nc3ccccc3CC2)cc1,CID780384,,,,,,,,,,0.0,,0.0,,,,,
Brc1ccc(NC2=Nc3ccccc3CC2)cc1,CID2318144,,,,,,,,,,,,0.0,,,,,
CC1CC(=O)c2cnc(NCc3ccco3)nc2C1,CID665711,,,,,,,,,0.0,0.0,0.0,,0.0,,,,0.0
Cc1nc(NCc2ccco2)nc2c1C(=O)CC(C)C2,CID2979657,,0.0,,,,,,,0.0,0.0,,,0.0,,,,
CC1(C)CC(=O)c2cnc(NCc3ccco3)nc2C1,CID665075,,,0.0,0.0,,,,,0.0,,,,0.0,,,0.0,
O=C1CCCc2nc(NCc3ccco3)ncc21,CID664916,,,0.0,0.0,,,,0.0,0.0,,,0.0,0.0,,0.0,,
CCN(CC#CCC1(O)c2ccccc2-c2ccccc21)CCO,CID1909577,,,,,,0.0,,,,,,,,,,,
O=C(O)CCNS(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2,CID645086,,0.0,0.0,,,,,,,,,,,,,,0.0
CN(C)S(=O)(=O)Nc1ccc2c(c1)Cc1ccccc1-2,CID799292,,,0.0,,0.0,,,0.0,,,,,,,,,
CN(C)CCN(C)Cc1ccc2c(c1)Cc1ccccc1-2,CID782097,,,,,,0.0,,,,,,,0.0,,,,
Clc1ccc2oc(-c3ccccn3)nc2c1,CID650806,,,0.0,,,,,,,0.0,,,0.0,,,0.0,0.0
Cc1ccc2nc(-c3ccccn3)oc2c1,CID646454,,,,,,0.0,,,0.0,,,,,,,0.0,
Nc1ccc2oc(-c3ccccn3)nc2c1,CID611070,,,,,,,0.0,,,,0.0,0.0,0.0,,,,
c1ccc(-c2nc3ccccc3o2)nc1,CID135005,,,,,,0.0,,,0.0,,,,,,,0.0,
Cc1nc(NC(=O)/C=C/c2ccccc2)sc1C(=O)Nc1ccccc1Cl,CID1468210,,,,,,,,,,,,0.0,,,,,
Cc1nc(NC(=O)/C=C/c2ccccc2)sc1C(=O)Nc1cccc(Cl)c1,CID1468186,,,,,,,,,,,,,,,0.0,,
Cc1nc(NC(=O)/C=C/c2ccccc2)sc1C(=O)Nc1ccc(Cl)cc1,CID1468162,,,,,,,,,,,,0.0,,,0.0,,
Cc1nc(NC(=O)/C=C/c2ccccc2)sc1C(=O)Nc1ccccc1,CID1468095,,,,,,0.0,,,,,,,,,,,
O=C(CSc1cccc[n+]1[O-])Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-],CID5187798,,,,,,,,,,,,,,0.0,,,
CC(Sc1cccc[n+]1[O-])C(=O)Nc1cccc([N+](=O)[O-])c1,CID3951446,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccc(C(=O)OC)c(NC(=O)CSc2cccc[n+]2[O-])c1,CID2413727,,,,,,,,,,0.0,,,,,0.0,,
CCOC(=O)c1ccccc1NC(=O)CSc1cccc[n+]1[O-],CID2120902,,,,,,0.0,,,0.0,,0.0,,,,0.0,,
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O,CID649464,0.0,,,,,,,,,,,,,,,,
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O,CID1019608,0.0,,0.0,,,0.0,,,,,,,,,,0.0,0.0
Cc1onc(-c2ccccc2)c1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O,CID1010739,0.0,0.0,0.0,0.0,,,,,0.0,,,0.0,,,,,0.0
Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O,CID1075138,0.0,0.0,0.0,,0.0,0.0,,,,,,,0.0,,,,
Cc1nn(-c2ccccc2)c(Cl)c1C1C(C#N)=C(N)OC2=C1C(=O)CCC2,CID647480,,0.0,,,0.0,,0.0,,,,,,,,0.0,,0.0
Cc1ccc(-n2nc(C)c(C3C(C#N)=C(N)OC4=C3C(=O)CCC4)c2Cl)cc1,CID653982,0.0,,,,0.0,,0.0,,,,,,0.0,,,0.0,0.0
Cc1nn(-c2ccccc2)c(Cl)c1C1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2,CID648249,,,,,0.0,,,,,,,,,,,,
Cc1ccc(-n2nc(C)c(C3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)c2Cl)cc1,CID649836,0.0,,,,0.0,0.0,,,,,,,0.0,,,,0.0
Cc1cccc(NC(=O)N2CCC(c3nc4ccccc4o3)CC2)c1,CID647486,,,,,,,0.0,,,,,,0.0,,,,0.0
Cc1cc(C)cc(NC(=O)N2CCC(c3nc4ccccc4o3)CC2)c1,CID653225,0.0,0.0,,,,,0.0,,,,,0.0,,,,,
Cc1cccc(C)c1NC(=O)N1CCC(c2nc3ccccc3o2)CC1,CID644531,0.0,,0.0,,,,0.0,0.0,,,,,,,,,
CC(C)c1ccc(NC(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1,CID654308,0.0,,,,,,0.0,0.0,,,0.0,0.0,,,,,
Cc1cccc(N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)c1C,CID2999678,,,,,,,,0.0,,,,0.0,,,,,
O=C(N1CCN(c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2,CID656335,0.0,,,,,,,0.0,,,,0.0,,,,,
O=C(N1CCN(c2ccccc2F)CC1)C12CC3CC(CC(C3)C1)C2,CID2930996,,0.0,,,,,,0.0,,,,,,,,,
O=C(N1CCN(c2ccc(F)cc2)CC1)C12CC3CC(CC(C3)C1)C2,CID2896916,,,,,,,,0.0,,,,,,,,,
CCNc1nc(NC(C)C)nc(Oc2ccc(OCCOc3ccc(C)cc3)nn2)n1,CID2915896,,0.0,,,,,,,,,0.0,,,,,0.0,
CCNc1nc(NC(C)C)nc(Oc2ccc(OCCOc3ccccc3)nn2)n1,CID2913079,,,,0.0,,,,,,0.0,0.0,,,,,,
CCNc1nc(N)nc(Oc2ccc(OCCOc3ccccc3)nn2)n1,CID2970046,,0.0,,,,,,,,,,,0.0,,,,
N#CC(C(=O)Nc1ccc(Cl)c(Cl)c1)=C1Nc2ccccc2N1,CID5389343,0.0,,,,,,0.0,,,,,,,,,,
N#CC(C(=O)Nc1cccc(Cl)c1)=C1Nc2ccccc2N1,CID5294167,0.0,,,0.0,,,0.0,,,,,,,,,0.0,
N#CC(C(=O)Nc1ccc(Cl)cc1)=C1Nc2ccccc2N1,CID5294166,0.0,,,,,,,,,,,,,,,,
CCOc1ccc(OCc2ccc(C(=O)N3CCCC(C)C3)cc2)cc1,CID2942250,,,,,,,,,,,,,,0.0,,,
O=C(c1ccc(COc2ccccc2Br)cc1)N1CCCCC1,CID1222996,,,,,,,,,,,,0.0,,,0.0,,
O=C(c1ccc(COc2ccc(Cl)cc2)cc1)N1CCCCC1,CID895340,,,,,,,,,,,,,,0.0,,,
COC(=O)C1=C(CSc2nncn2C)NC(=O)NC1c1ccc(F)cc1,CID3950273,,,,,,0.0,,,,,,,,,,,
COC(=O)C1=C(CSc2nncn2C)NC(=O)NC1c1cc(C)ccc1C,CID2983278,,,,0.0,,,,,,,,,,,,,
CCOC(=O)C1=C(CSc2nncn2C)NC(=O)NC1c1cc(OCC)ccc1OCC,CID2981050,,,0.0,0.0,0.0,,,0.0,,,,,0.0,,0.0,,
CNc1nc(-c2ccccn2)nnc1-c1ccccc1,CID6404643,,,,,,,,,,,,,,0.0,,,
CN(C)c1nc(-c2ccccn2)nnc1-c1ccccc1,CID6404645,,,,,,,,,,,,0.0,,,,,
C=CCNc1nc(-c2ccccn2)nnc1-c1ccccc1,CID6413024,,,,,,,,,0.0,,,,,,,,
CN1CCN(c2cc(=O)n(C3CCCCC3)c(=O)[nH]2)CC1,CID4141057,,0.0,,,,,,0.0,,,,,,,,,
CCOC(=O)N1CCN(c2cc(=O)n(C3CCCCC3)c(=O)[nH]2)CC1,CID3245522,,,,,,,,,,,,0.0,,,,,
CCN1CCN(c2cc(=O)n(C3CCCCC3)c(=O)[nH]2)CC1,CID3571734,,,,,,,,0.0,,,,,0.0,,,,
CCc1c(C)sc2nc(SCC(=O)Nc3cc(C)on3)n(CCOC)c(=O)c12,CID2567228,,,,,,,,,,0.0,,,,,,,
C=CCn1c(SCC(=O)Nc2cc(C)on2)nc2sc(C)c(C)c2c1=O,CID2589442,,,,,,,,,0.0,0.0,,,,,,,
CCn1c(SCC(=O)Nc2cc(C)on2)nc2sc(C)c(C)c2c1=O,CID2491763,0.0,0.0,,0.0,0.0,,,,0.0,0.0,,,0.0,,,,
O=C(Nc1ccnc(-c2cccnc2)n1)c1ccc(Cl)cc1,CID1488497,,,,,,,,,,,,0.0,,,,,
Cc1cccc(C(=O)Nc2ccnc(-c3cccnc3)n2)c1,CID1477556,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccnc(-c2cccnc2)n1)c1ccccc1Cl,CID1477555,,,,,,0.0,,,,,,,,,0.0,,
CC1(C(=O)O)C2C=CC(C2)C1C(=O)NCc1ccccc1,CID2971886,,0.0,,,,,0.0,0.0,,,,,,,,0.0,0.0
Cc1ccc(CNC(=O)C2C3C=CC(C3)C2C(=O)O)cc1,CID2931677,,,,0.0,,,,,,,,,,,,,
CC(NC(=O)C1C2C=CC(C2)C1C(=O)O)c1ccccc1,CID2930680,,,0.0,,,,,,,0.0,,,,,,,
CC/N=C(/Nc1ccc2c(c1)OCO2)SC1CC(=O)N(c2ccccc2F)C1=O,CID2869016,0.0,,,,,,,0.0,,0.0,,,,,,,0.0
CCOc1ccc(N2C(=O)CC(S/C(=N\C)Nc3ccc4c(c3)OCO4)C2=O)cc1,CID2868985,,,,,,,,,,,,,,,0.0,,
C/N=C(/Nc1ccc2c(c1)OCO2)SC1CC(=O)N(c2ccccc2)C1=O,CID652180,,,,,0.0,,0.0,,,,,,,,,0.0,
COc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3cccc(OC)c3)c2=O)cc1,CID15991726,,,,,,,,,,,,,,0.0,,,
COc1cccc(NC(=O)Cn2c(=O)n(-c3cc(OC)c(OC)c(OC)c3)c(=O)c3ccccc32)c1,CID16195391,,,,,,,,,,,,,,0.0,,,
CCN(C(=O)Cn1c(=O)n(-c2cc(OC)c(OC)c(OC)c2)c(=O)c2ccccc21)c1cccc(C)c1,CID16193658,,,,,,,,,,,,,,0.0,,,
CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC,CID5355,,,,,,,,0.0,,,,,,,,,
CCC(=O)Nc1cc(C(=O)NCC2CCCN2CC)c(OC)cc1N(C)C,CID4476328,,,,,,,,0.0,,,,,,,,0.0,
CCN1CCCC1CNC(=O)c1cc(NC(C)=O)c(N(C)C)cc1OC,CID3124991,,,,,,,,,,,,,,,,0.0,
CCOc1ccc(N(CC(=O)NCC2CCCO2)C(=O)CCC(=O)Nc2ccccn2)cc1,CID3204888,,,,,,,,,,,0.0,,,,,,
Cc1ccc(N(CC(=O)NCC2CCCO2)C(=O)CCC(=O)Nc2ccccn2)cc1,CID3204885,,,,,,,,,,,,,,,0.0,,
CCOc1ccccc1N(CC(=O)NCC1CCCO1)C(=O)CCC(=O)Nc1ccccn1,CID655529,,,,,,,0.0,0.0,,,,,,,,,
CCOc1ccc2nc(SCC(=O)c3cccs3)sc2c1,CID721894,,,,,0.0,,,,0.0,,,,,,,,
CCOc1ccc2nc(SCC(=O)c3ccc(Cl)s3)sc2c1,CID2339814,,,,,,,,,0.0,,,,,0.0,,,
CCOc1ccc2nc(SCC(=O)c3ccc(C)s3)sc2c1,CID708193,,,,,,,,,0.0,,,,,,,,
COC(=O)C(/C=N/OCc1ccc([N+](=O)[O-])cc1)NC(=O)c1cccc(Cl)c1,CID3346356,,,,,,,,,,,,,,,0.0,,
COC(=O)C(/C=N/OCc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccc(Cl)cc1Cl,CID5240525,,,,,,,,,,,,0.0,,,,,
COC(=O)C(/C=N/OCc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1,CID3806642,,,,,,,,,,,,,,,0.0,,
O=C1CSC(c2ccccn2)N1c1cccc(Cl)c1,CID3239346,0.0,,,0.0,0.0,,,,,0.0,,,,,,,0.0
Cc1ccc(N2C(=O)CSC2c2ccccn2)cc1Cl,CID5068879,,,,,,0.0,,,,,,,,,,,
O=C1CSC(c2ccccn2)N1c1ccccc1,CID3237434,,0.0,,,,0.0,,,,,,,0.0,,,,
Cc1ccc(C(=O)OCC(=O)NCCC2=CCCCC2)cc1N,CID2388958,,,,,,,,,,,,,,,0.0,,
O=C(COC(=O)c1ccccc1Cl)NCCC1=CCCCC1,CID2381042,,,,,,,,,,,,,,0.0,,,
O=C(COC(=O)c1cccc(Br)c1)NCCC1=CCCCC1,CID2394083,,,,,,,,,,,,,,,0.0,,
Fc1ccc(CNc2ccc(CNc3ncn[nH]3)cc2)cc1,CID851518,,,,,,,,,,,,,,,,0.0,
c1ccc(CNc2ccc(CNc3ncn[nH]3)cc2)cc1,CID851515,,,,,,,,,,,,0.0,,,,,
Cc1ccc(CNc2ccc(CNc3ncn[nH]3)cc2)cc1,CID851516,,,,,,,,,,,0.0,0.0,,,,,
CCn1c(SC(C)C(=O)NC2CCCc3ccccc32)nnc1-c1cccs1,CID4880966,,,,,,0.0,,,,,,,,,,,
CCn1c(SCC(=O)NC2CCCc3ccccc32)nnc1-c1cccs1,CID5201533,,,,,,0.0,,,,,,,,,,,
Nn1c(SCC(=O)NC2CCCc3ccccc32)nnc1-c1cccs1,CID2999824,,0.0,,,0.0,0.0,,,0.0,0.0,,,,,,0.0,
CN(C)C(=O)CSc1nc(-c2ccccc2)nc2c1CCCC2,CID1083053,,,,,,,,,,,,,,0.0,0.0,,
Cc1cccc(-c2nc3c(c(SCC(N)=O)n2)CCCC3)c1,CID1083055,,,,,,,,,,,0.0,,,,,,
Cc1cccc(-c2nc3c(c(SCC(=O)N(C)C)n2)CCCC3)c1,CID1083056,,,,,,,,,,,,,,,0.0,,
Cc1nc(SCC(=O)N2CCN(c3ccccc3)CC2)c2oc3ccccc3c2n1,CID665687,0.0,,0.0,0.0,,,,0.0,,,,0.0,,,,0.0,0.0
O=C(CSc1ncnc2c1oc1ccccc12)N1CCN(c2ccccc2)CC1,CID663421,,,0.0,0.0,,,0.0,,,,,,,,,0.0,0.0
CCc1nc(SCC(=O)N2CCN(c3ccccc3)CC2)c2oc3ccccc3c2n1,CID3548543,,,,,,0.0,,,,,,,,,,,
CN1CCS/C1=C\C=C1/SC(=S)N(CC(=O)O)C1=O,CID1734123,,,,,,,,,,,,,,0.0,,,
CN1C(=O)/C(=C/C=C2\SCCN2C)SC1=S,CID1734120,,,,,,,,,,,,,,0.0,,,
CCN1C(=O)/C(=C/C=C2/SCCN2C)SC1=S,CID1734121,,,,,,,,,,,,,,0.0,0.0,,
Cc1cc(O)cc(O)c1C(=O)Cc1cnn(-c2ccccc2)c1,CID692802,,,,,,,,,0.0,,,0.0,,,,,
COc1ccc(C(=O)Cc2cnn(-c3ccccc3)c2)c(O)c1,CID692803,,,,,,,,,0.0,,0.0,0.0,,0.0,,,
CCc1cc(C(=O)Cc2cnn(-c3ccccc3)c2)c(O)cc1O,CID886358,0.0,,0.0,0.0,,0.0,0.0,,0.0,,,0.0,0.0,,,,
O=C(C1CCN(S(=O)(=O)c2cccnc2)CC1)N1CCN(c2ccccc2Cl)CC1,CID3242821,,0.0,,,0.0,,,,,,0.0,,0.0,,,,0.0
O=C(C1CCN(S(=O)(=O)c2cccnc2)CC1)N1CCN(c2ccc(Cl)cc2)CC1,CID3236518,,0.0,,,0.0,,,,,,,,0.0,,,,
Cc1ccc(Cl)cc1N1CCN(C(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)CC1,CID3245592,,,,,0.0,,,,,,,,,,,,
O=C(NNc1ccccc1[N+](=O)[O-])Nc1ccccc1,CID3370491,,,,,,,,,,,,,,,0.0,,
CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NNC(=O)Nc1ccccc1,CID3527591,,,,,,,,,,,,,,0.0,,,
O=C(NNc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)c(Cl)c1,CID4652722,,,,,,,,,,,,,,,0.0,,
CCOC(=O)C1C(C)=CC(=O)CC1c1ccco1,CID659443,,,,,,,0.0,,0.0,,,,,0.0,,,
CC(C)CNC1=CC(=O)CC(c2ccco2)C1,CID2901459,,,0.0,,,0.0,0.0,,,0.0,,0.0,,,,,
O=C1C=C(O)CC(c2ccco2)C1,CID658692,,,,,,,0.0,,,,,,,0.0,,,
COc1ccc(NC(=O)CSc2ncc(-c3ccc(F)cc3)n2Cc2ccco2)cc1,CID1169896,,,,,,,,,,,,0.0,,,,,
CCC(=O)Nc1cc(NC(=O)CSc2ncc(-c3ccc(F)cc3)n2Cc2ccco2)ccc1C,CID650373,0.0,,,,,,,,,0.0,,,,,,,
CC(=O)Nc1cccc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)n2Cc2ccco2)c1,CID653150,,,,,0.0,,,,,,,0.0,,,0.0,,
O=C(CSc1nccn1-c1ccc(F)cc1)NCc1ccc(F)cc1,CID4343840,,,,,,,,,,,,,,,0.0,,
COc1cccc(-n2ccnc2SCC(=O)NCc2ccccc2)c1,CID3241142,0.0,0.0,,,0.0,0.0,,,,,0.0,,0.0,,,0.0,
O=C(CSc1nccn1-c1ccccc1)NCc1ccc(F)cc1,CID866687,,,,,,,,,,,,,,0.0,,,
COc1ccc(N2CCN(C(=O)c3cn(C)c(=O)c4c3c3ccccc3n4C)CC2)cc1,CID3243804,0.0,,,,0.0,,,,,,,,,,,,
Cc1ccc(Cl)cc1N1CCN(C(=O)c2cn(C)c(=O)c3c2c2ccccc2n3C)CC1,CID3241760,0.0,,,,,,,,,,,,,,,,0.0
Cc1cccc(N2CCN(C(=O)c3cn(C)c(=O)c4c3c3ccccc3n4C)CC2)c1C,CID3245700,0.0,,0.0,,,,,,,,,,0.0,,,0.0,
O=C1CCN(C(=O)Nc2ccccc2)N1,CID1482220,,,,,,,,,,,,0.0,,,,,
Cc1ccc(NC(=O)N2CCC(=O)N2)cc1,CID1482223,,,,,,,,,,,,0.0,,,,,
O=C1CCN(C(=O)Nc2ccccc2Cl)N1,CID1482258,,,,,,,,,,,,,,,0.0,,
Cc1cccc2cc(C#N)c(SCC(=O)N3CCC(C)CC3)nc12,CID655143,0.0,,,,,,0.0,,,,,,0.0,,,0.0,0.0
Cc1cc(C)c2nc(SCC(=O)N3CCCCC3)c(C#N)cc2c1,CID653965,0.0,,,,,0.0,,,,,,,,,,0.0,0.0
CCOc1ccc2cc(C#N)c(SCC(=O)N3CCC(C)CC3)nc2c1,CID648869,0.0,,,,,,,0.0,,,,0.0,,,,,0.0
Cc1ccc(S(=O)(=O)n2ccc3cccnc32)cc1,CID1479966,,,,,,,,,,,,0.0,,,,,
O=S(=O)(c1ccc(Cl)cc1)n1ccc2cccnc21,CID2767864,,,,,,,,,,,,,,0.0,0.0,,
O=S(=O)(c1ccc(F)cc1)n1ccc2cccnc21,CID2767865,,,,,,,,,,,,0.0,,,,,
COc1ccccc1-c1nnc(SC2CCc3ccccc3NC2=O)s1,CID4335223,,,,,,,,,,,0.0,0.0,,,,,
O=C1Nc2ccccc2CCC1Sc1nnc(-c2ccc(Cl)cc2)s1,CID5160433,,,,,,,,,,,0.0,0.0,,,,,
CCOC(=O)CN1C(=O)C(Sc2nnc(-c3ccccc3OC)s2)CCc2ccccc21,CID3365003,,,,,,,,,,,,0.0,,,,,
O=C(O)c1cc(-c2ccc(Cl)s2)nc2ccccc12,CID625773,,,,,,,,,,,,,,0.0,,,
c1csc(-c2ccc3ccccc3n2)c1,CID251365,,0.0,,,0.0,0.0,,,,,,,0.0,,0.0,,
Clc1ccsc1-c1ccc2ccccc2n1,CID1487778,,,,,,,,,,0.0,,,,0.0,,,
CC/C(NCc1ccco1)=C1/C(=O)NC(=O)N(c2ccccc2)C1=O,CID5389546,,,0.0,,,0.0,,,,0.0,,0.0,,,,,
C/C(NCc1ccco1)=C1\C(=O)NC(=O)N(c2ccccc2)C1=O,CID5421497,,,,,,,,,,,0.0,,,,,,
CC/C(NCc1ccco1)=C1/C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O,CID5389684,,,0.0,,,,,0.0,,,,,0.0,,,,0.0
Cc1cc(Nc2ccccc2)n(-c2ccc(Br)cc2)n1,CID867844,,,,,,,,,0.0,,,,,,,,
Cc1cc(Nc2ccccc2)n(-c2ccccc2)n1,CID867748,,,,,,,,,,,,,,,,0.0,
Cc1cc(Nc2ccc(Cl)cc2)n(-c2ccccc2)n1,CID2400956,,,,,,,,,,,,,,,0.0,,
CCN(CC)c1ccc2cc(C(=O)Nc3cccnc3N3CCOCC3)c(=O)oc2c1,CID645423,,,,,,0.0,0.0,,0.0,,,,0.0,,,,
COc1cccc2cc(C(=O)Nc3cccnc3N3CCOCC3)c(=O)oc12,CID650281,,,,,,,,,0.0,,,,,,0.0,,0.0
O=C(Nc1cccnc1N1CCOCC1)c1cc2ccccc2oc1=O,CID647212,,,,,,,0.0,,0.0,,,,,,,,
S=C1NC2=C(C(c3ccc(Br)cc3)N1)N1CCC2CC1,CID3578009,,,,,,,,,,,,0.0,,,,,
Cc1ccc(C2NC(=S)NC3=C2N2CCC3CC2)cc1,CID3578007,,,,,,,,,,,0.0,,,,,,
Fc1ccc(C2NC(=S)NC3=C2N2CCC3CC2)cc1,CID2856766,,,,,,,,,0.0,,,,,,,,
O=C(COc1ccc(Cl)cc1Cl)NC1CCSC1=O,CID653735,,,,,,,,,0.0,,,,,,,,
CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1CCSC1=O,CID2939525,,0.0,,,,,,,,0.0,,,,0.0,,,0.0
O=C(COc1ccc(Cl)cc1)NC1CCSC1=O,CID654685,,,,,,,,,,0.0,,,,0.0,,,
CCCn1c(SCC(=O)c2ccc(CC)cc2)n[nH]c1=O,CID2086716,,,,,,0.0,,,,0.0,,,,,0.0,,
CCCn1c(SCC(=O)c2cc(C)c(C)cc2C)n[nH]c1=O,CID2083544,,,,,,,,,,,,,,,0.0,,
CCCn1c(SCC(=O)c2cc(C)ccc2C)n[nH]c1=O,CID2086702,,,,,,,,,,,0.0,0.0,,,0.0,,
Cc1cc(C)c(NC(=S)N2CCC(N(C)CC3CCCO3)CC2)c(C)c1,CID4112938,,,,,,,,,,,0.0,,,,,,
Cc1ccc(NC(=S)N2CCC(N(C)CC3CCCO3)CC2)c(C)c1,CID3395173,,,,,,0.0,,,,,,,,,,,
Cc1cccc(NC(=S)N2CCC(N(C)CC3CCCO3)CC2)c1C,CID4114038,,,,,,,,,,,0.0,,,,,,
Cc1cccc2cc(CN(Cc3ccco3)C(c3nnnn3CCc3ccccc3)C(C)C)c(=O)[nH]c12,CID649371,,,,,,,,,,,,,,,,,0.0
CCC(c1nnnn1CCc1ccccc1)N(Cc1ccco1)Cc1cc2cc(C)cc(C)c2[nH]c1=O,CID654309,,,,,,,,,0.0,,,0.0,,,,,
CCC(c1nnnn1CCc1ccccc1)N(Cc1ccco1)Cc1cc2c(C)ccc(C)c2[nH]c1=O,CID648560,,,,,,,,,,,,,,,,0.0,
CCNC(=O)CN1C(=O)NC2(CCCCCC2)C1=O,CID2394115,,,,,,,,,,,,0.0,,,,,
CC(C)N(C(=O)CN1C(=O)NC2(CCCCCC2)C1=O)C(C)C,CID2578454,,,,,,,,,,,0.0,,,,,,
CCOC(=O)CCCNC(=O)CN1C(=O)NC2(CCCCCC2)C1=O,CID2578452,,,,,,0.0,,,,0.0,,,,,,,
Cc1cc(C)nc(SCNC(=O)c2ccccc2)n1,CID741406,,0.0,,,,,0.0,,,,,,,,0.0,,0.0
Cc1cc(C)nc(SCNC(=O)c2ccc(Cl)cc2)n1,CID914061,,,,,,,,,,0.0,0.0,,,,,,
Cc1cc(C)nc(SCNC(=O)c2ccc(F)cc2)n1,CID664776,,,,,,,0.0,,,0.0,,,,,,0.0,
Cc1ccc(NC(=O)CCSc2nnc(C)s2)cc1,CID852230,,,,,,,,,0.0,0.0,,,,0.0,,,
CCOc1ccc(NC(=O)CCSc2nnc(C)s2)cc1,CID752193,,,,,,,,,0.0,0.0,,,,,0.0,,
COc1ccc(NC(=O)CCSc2nnc(C)s2)cc1,CID604494,,,,,0.0,,,,0.0,,0.0,,,0.0,0.0,,
Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccco3)cc2)cc1,CID2234284,,,,,,,,,,,,,0.0,,0.0,,
Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)NCc2ccco2)cc1,CID2968347,,,,,,,,,,0.0,,,,,,0.0,0.0
Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccco3)cc2)c1,CID1260914,,,,,0.0,,,0.0,,0.0,0.0,,,,,0.0,0.0
COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cccc(OC)c1O,CID2270341,,,,,,0.0,,,,,,,,,,,
COCCCN1C(=O)/C(=C\c2ccccc2O)C(C(=O)OC)=C1C,CID1923664,,,,,,0.0,,,,,,,,,,,
COCCN1C(=O)/C(=C\c2ccccc2[N+](=O)[O-])C(C(=O)OC)=C1C,CID2274228,,,,,,0.0,,,,,,,,,,,
CN(C)c1ccnc(-n2cccc2/C=N/OCc2cccc(F)c2)c1C#N,CID2767589,,,,,,0.0,,,,,,0.0,,,,,
CN(C)c1ccnc(-n2cccc2/C=N/OCc2ccc([N+](=O)[O-])cc2)c1C#N,CID2767588,,,,,,,,,,0.0,,,,,,,
CN(C)c1ccnc(-n2cccc2/C=N/OCc2ccc(F)cc2Cl)c1C#N,CID2767591,,,,,,,,,,,,,,,0.0,,
COC(=O)c1cccc(C(=O)Oc2cccc(Br)c2)n1,CID3241555,0.0,,,,,,0.0,,0.0,,0.0,0.0,,,,,
COC(=O)c1ccc(OC(=O)c2ccccn2)cc1,CID2677992,,,,0.0,,,0.0,,0.0,,,,,,,,
COC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccccn2)cc1,CID2312307,,,,,,,,,,,,,,0.0,,,
O=C(c1cnn(C(=O)COc2ccc(Cl)cc2)c1)c1ccccc1O,CID2116206,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccc(O)c(C(=O)c2cnn(C(=O)COc3ccc(Cl)cc3)c2)c1,CID2116204,,,,,,,,,,,,,,0.0,,,
Cc1cc(Cl)ccc1OCC(=O)n1cc(C(=O)c2cc(Cl)ccc2O)cn1,CID2439958,,,,,,,,,,,,,,,0.0,,
CC(C)c1nc(N2CCN(C(=O)c3ccccc3)CC2)c(C#N)c2c1COC(C)(C)C2,CID1002206,,0.0,,,,,,0.0,,,,0.0,,,,,
Cc1nc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(C#N)c2c1COC(C)(C)C2,CID657782,0.0,,0.0,,,,0.0,,,,,,,,0.0,,
CCc1nc(N2CCN(C(=O)c3ccccc3)CC2)c(C#N)c2c1COC(C)(C)C2,CID657610,0.0,,,,,,,,,0.0,,,,,,,
CCC(C)N1C(=O)NC(=O)C2(Cc3cc(C)ccc3N(C)C2)C1=O,CID666625,,,,,0.0,,,,,0.0,,,,,,,
Cc1ccc2c(c1)CC1(CN2C)C(=O)NC(=O)N(C(C)C)C1=O,CID665969,,,,,0.0,,,,,0.0,,,,,,,
CCCCN1C(=O)NC(=O)C2(Cc3cc(C)ccc3N(C)C2)C1=O,CID665119,,,,,0.0,,0.0,,,0.0,,,,,,,
O=C(NCc1ccco1)c1nn(-c2ccccc2)c(=O)c2ccccc12,CID2085773,0.0,0.0,,,,,,,0.0,0.0,0.0,,0.0,,,,
COc1ccccc1-n1nc(C(=O)NCc2ccco2)c2ccccc2c1=O,CID3238022,0.0,0.0,,,,,0.0,,0.0,0.0,,,0.0,,,,
COc1ccc(-n2nc(C(=O)NCc3ccco3)c3ccccc3c2=O)cc1,CID4053664,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(=O)N2CCSC2=S)cc1OC,CID648036,,,,,,,0.0,,,0.0,,,,,0.0,,
COc1cccc(C(=O)N2CCSC2=S)c1,CID751506,,,,,,,,,,0.0,,,,,,,
CCOc1ccc(C(=O)N2CCSC2=S)cc1,CID751507,,,,,,,,,,0.0,,,,0.0,,,
COc1ccc(-c2cc(C3CC3)nc(SCC(=O)c3cccs3)c2C#N)cc1,CID1548692,,,,,,,,,,,,,,0.0,0.0,,
N#Cc1c(-c2ccccc2F)cc(C2CC2)nc1SCC(=O)c1cccs1,CID2307119,,,,,,,,,,,,,,0.0,,,
N#Cc1c(-c2ccccc2)cc(C2CC2)nc1SCC(=O)c1cccs1,CID1347475,,,,,,0.0,,,,,,,,0.0,,,
Cc1cc(C)n(C(=O)c2ccc(Cn3nc(C)c(Br)c3C)o2)n1,CID1001022,,,,,,,,,0.0,,0.0,0.0,,,,,
O=C(c1ccc(Cn2cc(Br)cn2)o1)n1cccn1,CID892503,0.0,,,,,,,,0.0,,0.0,,,,0.0,,0.0
Cc1nn(Cc2ccc(C(=O)n3cccn3)o2)c(C)c1Br,CID903610,,,,,,,,,0.0,,,0.0,,,0.0,,
Cc1ccsc1C(=O)N1CC(=O)Nc2ccccc21,CID2100758,,,,,0.0,,0.0,,,0.0,,,0.0,,,,0.0
O=C1CN(C(=O)c2cc(Br)c(Br)s2)c2ccccc2N1,CID2100759,,,,,,,,,,,,0.0,,,,,
O=C1CN(C(=O)c2cccs2)c2ccccc2N1,CID2142327,,0.0,,0.0,0.0,0.0,,,,0.0,,,,,,,0.0
Cn1nnnc1SCc1nnc(-c2ccc(F)cc2)o1,CID2470928,,,,,,,,,,,0.0,,,,,,
Cn1nnnc1SCc1nnc(-c2ccccc2Br)o1,CID2630202,,,,,,,,,0.0,,,,,0.0,,,
Cn1nnnc1SCc1nnc(-c2ccc(Cl)cc2)o1,CID2126768,,,,0.0,0.0,,,,,,,,,,,,
CCc1nc2ccccc2c(C(=O)OCc2nnc(-c3ccccc3)o2)c1C,CID2416482,,,,,,,,,,,,0.0,,,,,
CCCc1nc2ccccc2c(C(=O)OCc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)c1CC,CID2576453,,,0.0,,,,,,,,,0.0,,,,,
COc1cc(-c2nnc(COC(=O)c3cc(C)nc4ccc(C)cc34)o2)cc(OC)c1OC,CID2527499,,,,,,,,,0.0,,,0.0,,,,,
CC(=O)Nc1cccc(-c2nnc(SCC(=O)n3c4c(c5ccccc53)CCCC4)n2C)c1,CID1299637,,,,,,,,,,0.0,,,,,,,
CC(=O)Nc1ccc(-c2nnc(SCC(=O)n3c4c(c5ccccc53)CCCC4)n2C)cc1,CID1310712,0.0,,,,,,,0.0,,0.0,,,,,,,
Cn1c(SCC(=O)n2c3c(c4ccccc42)CCCC3)nnc1-c1ccccc1,CID2192335,,,,,,,,,,,0.0,,,,,,
O=C(Nc1ccc2c(c1)OCCO2)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1,CID1107127,,,,,,,,,0.0,,,,,,,0.0,
O=C(Nc1ccc2c(c1)OCCO2)c1cccc(S(=O)(=O)N2CCOCC2)c1,CID1107128,,,,,,0.0,,,,0.0,0.0,,,,,,
O=C(Nc1ccc2c(c1)OCCO2)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1,CID1285460,0.0,,,,,,,,0.0,,,0.0,,0.0,,,
COC(=O)c1ccccc1NC(NC(=O)c1ccco1)C(=O)c1ccccc1,CID2853672,,,,,,,,,0.0,0.0,,,0.0,,,,
COc1ccccc1NC(NC(=O)c1ccco1)C(=O)c1ccccc1,CID2850389,0.0,,,,,,,0.0,0.0,,,,,,,,
COC(=O)c1ccccc1NC(NC(=O)c1ccco1)C(=O)c1ccc(C)cc1,CID2892585,,,0.0,,,,,,0.0,0.0,,0.0,,,,,
COCCNC(=O)C(OC(=O)c1cccs1)c1ccccc1,CID654711,,,,0.0,,,,0.0,0.0,,,0.0,,,,,
CC(C)(C)NC(=O)C(OC(=O)c1cccs1)c1ccc(C#N)cc1,CID3230521,,,,,,,,,,,,,,0.0,,,
CC(C)(C)NC(=O)C(OC(=O)c1cccs1)c1ccccc1,CID3220324,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)c2c(N)c(C(=O)Nc3ncc(C)s3)sc2n1,CID866034,,,,,,,,,0.0,0.0,,,,,,,
Cc1cc(C)c2c(N)c(C(=O)Nc3nccs3)sc2n1,CID788673,0.0,,0.0,,0.0,,,,,0.0,,,0.0,,,,
COCc1cc(C)nc2sc(C(=O)Nc3nccs3)c(N)c12,CID1497736,0.0,0.0,,,,,,,0.0,,,,,,,,
COC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1cccs1,CID662012,,,,,,0.0,,,,0.0,,,,,,,
CC1=C(C(=O)OC(C)C)C(c2cccs2)N2C(=O)C(C)SC2=N1,CID661824,,,,,,,0.0,,,,0.0,,0.0,,,,
CCC1SC2=NC(C)=C(C(=O)OC)C(c3cccs3)N2C1=O,CID661825,,,,,,,0.0,,,0.0,,,0.0,,,,
O=C(Nc1cc(-c2nc3ccccc3s2)ccc1Cl)c1ccc2c(c1)OCO2,CID1090028,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc2c(c1)OCO2,CID1090025,,,,,,0.0,,,,,,,,,,,
Cc1c(NC(=O)c2ccc3c(c2)OCO3)cccc1-c1nc2ccccc2s1,CID1090026,,,,,,0.0,,,,,,,,,,,
CC(C)n1c(SCC(=O)N2c3ccccc3CCc3ccccc32)nc2c1c(=O)n(C)c(=O)n2C,CID1175810,,,,,,,,,,,0.0,,,,,,
Cn1c(=O)c2c(nc(SCC(=O)N3c4ccccc4CCc4ccccc43)n2C)n(C)c1=O,CID647164,,,,0.0,,,,,,,,,,,,,
CCn1c(SCC(=O)N2c3ccccc3CCc3ccccc32)nc2c1c(=O)n(C)c(=O)n2C,CID649948,,,,0.0,,,,,,,,,0.0,,,,
CCC1CCCCN1C1Sc2ccc(C(=O)OC)cc2NC1=O,CID3241622,,0.0,,,,0.0,,,,,,,0.0,,0.0,0.0,
CCCCN(C)CCNC(=O)c1ccc2c(c1)NC(=O)C(N1CCCCC1)S2,CID3241724,,,0.0,,,,,,0.0,,,,,,,0.0,
COC(=O)c1ccc2c(c1)NC(=O)C(N1CCCCC1)S2,CID3240502,,0.0,,,0.0,,,0.0,,,,0.0,,,,,
Cc1ccc(-c2nnc3sc(C4COc5ccccc5O4)nn23)cc1,CID666467,0.0,,0.0,,0.0,,0.0,0.0,,,0.0,,,,,0.0,
Clc1ccccc1-c1nnc2sc(C3COc4ccccc4O3)nn12,CID2959010,,0.0,,,,,0.0,,,,,,,,,,0.0
Fc1ccc(-c2nnc3sc(C4COc5ccccc5O4)nn23)cc1,CID666944,0.0,,,,0.0,,,,0.0,,,,,,0.0,0.0,
COc1ccc(CC(NC(C)=O)C(=O)NC2CCN(c3c4c(nc5ncnn35)CCC4)CC2)cc1,CID648101,,,0.0,0.0,,,,,,,,,,,,,0.0
CC(=O)NC(Cc1ccccc1C)C(=O)NC1CCN(c2c3c(nc4ncnn24)CCC3)CC1,CID644812,,,,,,,,,0.0,0.0,,,,,,,
COc1cccc(CC(NC(C)=O)C(=O)NC2CCN(c3c4c(nc5ncnn35)CCC4)CC2)c1,CID646419,,,0.0,,,,,,,,,,,,,,
CCN(CC)CCCNC(=O)C1=CC(=C2C=CC(=O)C=C2)ON1,CID6324565,,0.0,,,,0.0,,,,,,,,,,,
COCC(C)NC(=O)C1=CC(=C2C=CC(=O)C=C2)ON1,CID6324550,,,,0.0,,0.0,,0.0,,,,,,,,,
O=C1C=CC(=C2C=C(C(=O)O)NO2)C=C1,CID5439507,,,,,,,,,,,,,,0.0,,,
COc1ccccc1-c1cc(C(=O)Nc2cccnc2)no1,CID3236616,0.0,,,,,,,0.0,,,,0.0,,,,,
O=C(Nc1cccnc1)c1cc(-c2ccc(Br)cc2)on1,CID5307167,0.0,,,,,,,,,,,,,0.0,,0.0,
O=C(Nc1cccnc1)c1cc(-c2ccccc2)on1,CID973865,,,,,,,,,,,,0.0,,,,,
COc1ccc(OC)c(-n2c(CN3CCC(C(N)=O)CC3)nc3ccccc3c2=O)c1,CID2213791,0.0,,,,,,,,0.0,,,,,,,0.0,
CCOC(=O)C1CCN(Cc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)CC1,CID2958292,,,,,,,,,,,0.0,0.0,,,,,
CCOC(=O)C1CCN(Cc2nc3ccccc3c(=O)n2-c2ccc(OCC)cc2)CC1,CID1299514,,,,,0.0,,,,0.0,,,0.0,,,,,
CCCc1cc(Nc2c(C)n(C)n(-c3ccccc3)c2=O)n2c(nc3ccccc32)c1C#N,CID660235,,,,,,,,,0.0,,,,,,,,
CCCCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1c(C)n(C)n(-c2ccccc2)c1=O,CID1553158,,,,,,,,,,,,0.0,,,,,
CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1c(C)n(C)n(-c2ccccc2)c1=O,CID658813,,,0.0,,,,,,,,,0.0,0.0,,,,0.0
CCCCN(C)C(=O)c1c[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O,CID6324580,,,,0.0,,,0.0,0.0,,,,,,0.0,,,
CCCCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O,CID3241019,,,,,,,,,0.0,,,,,,,0.0,0.0
CCCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O,CID4183491,,,,,,,,,,,,,,,0.0,,
CCOC(=O)C(C)Oc1cccc2c(=O)n(CC(=O)N3CCN(C(=O)OCC)CC3)ccc12,CID3324272,,,,,,,,,,,,,,0.0,,,
CCOC(=O)N1CCN(C(=O)Cn2c(C)cc3ccccc3c2=O)CC1,CID3243634,,,,,,,,,0.0,,,,,,,,
CCOC(=O)COc1cccc2c(=O)n(CC(=O)N3CCN(C(=O)OCC)CC3)ccc12,CID4296362,,,,,,,,,,,,0.0,,,,,
COc1ccc(OC)c(NC(=O)c2nnn(CCc3ccccc3)c2N)c1,CID2135896,,,,,,,0.0,,,,,,,0.0,,0.0,
COc1ccc(C)cc1NC(=O)c1nnn(CCc2ccccc2)c1N,CID2135897,,,,0.0,,,0.0,0.0,,,,,,,0.0,0.0,0.0
COc1cccc(NC(=O)c2nnn(CCc3ccccc3)c2N)c1,CID5309881,,,,0.0,,,,,,,,,0.0,,,,
CC(=O)N1CCC2(CC1)C(C#N)=C(N)Oc1c2sc2nc(C)cc(C)c12,CID654562,,,,,,,,,,0.0,,,0.0,,,,
CCN1CCC2(CC1)C(C#N)=C(N)Oc1c2sc2nc(C)cc(C)c12,CID660238,,,,,,,,,,0.0,,,,,,,
CCOC(=O)N1CCC2(CC1)C(C#N)=C(N)Oc1c2sc2nc(C)cc(C)c12,CID2961994,,,,,,,,0.0,,,,,,,,,
CCn1c(C(=O)N2CCCC(C(=O)NCCCc3ccccc3)C2)cc2sccc21,CID3235839,,0.0,0.0,0.0,0.0,,,0.0,,,,,,,,,
CC(CCc1ccccc1)NC(=O)C1CCCN(C(=O)c2cc3sccc3n2C)C1,CID3239343,0.0,,,,0.0,,0.0,,,,0.0,,,,,,0.0
Cn1c(C(=O)N2CCCC(C(=O)NCCCc3ccccc3)C2)cc2sccc21,CID3238555,0.0,,,,0.0,,,,,,,,,,,0.0,
CN(C)CCCn1c(NC(=O)C2CCCCC2)nc2ccccc21,CID660499,,,,,,,,,0.0,,,,0.0,,,0.0,
CCCCn1c(NC(=O)C2CCCCC2)nc2ccccc21,CID2908678,,,,,,,,,,,0.0,,,0.0,,,
CCn1c(NC(=O)C2CCCCC2)nc2ccccc21,CID797559,,,,,,,,,,0.0,,0.0,,,,,
CCOCCN1CCN(c2c(CC)c(C)nc3cc(-c4cc(OC)cc(OC)c4)nn23)CC1,CID3229980,,,,,,,,,,,,0.0,,,,,
COCCN1CCN(c2c(C)c(C)nc3cc(-c4cccc(OC)c4)nn23)CC1,CID652304,,,0.0,,,,,,,,,,0.0,,,,
CCOCCN1CCN(c2c(C)c(C)nc3cc(-c4cc(OC)cc(OC)c4)nn23)CC1,CID655268,,,,,,,,,,,,0.0,0.0,,,,
Cc1cc(NC(=O)CCC(=O)N(CC(=O)NC2CCCC2)Cc2ccccc2Cl)no1,CID652830,0.0,,,,0.0,,0.0,,,,,,0.0,,,,0.0
Cc1cc(NC(=O)CCC(=O)N(CC(=O)NC2CCCC2)Cc2ccc(F)cc2)no1,CID649526,,0.0,,,,,,,,,,,,,,,
COc1ccc(CN(CC(=O)NC2CCCC2)C(=O)CCC(=O)Nc2cc(C)on2)cc1,CID3210779,,,,,,,,,,,,0.0,,,,,
CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(CCc3ccccc3)C2C1,CID647683,,,0.0,,,,,,,,,,,,,,
CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(CCc3ccccc3)C2C1,CID646956,,,,0.0,,,,,,,,,0.0,,,,
CC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(CCc3ccccc3)C2C1,CID650957,,0.0,,0.0,,,,0.0,,,,,,,,,
COC(=O)c1cccc(N(C(=O)c2cnccn2)C(C(=O)NCc2ccccc2)c2ccco2)c1,CID655514,,,,,,,0.0,,,,,0.0,,,,,0.0
CC(=O)c1cccc(N(C(=O)c2cnccn2)C(C(=O)NCc2ccccc2)c2ccco2)c1,CID3188521,,,,,,,,,,,,0.0,,,,,
O=C(NCc1ccccc1)C(c1ccco1)N(C(=O)c1cnccn1)c1ccc(F)cc1,CID3188522,,,,,,,,,,0.0,0.0,,,,,,
Cc1ccc(CNC(=O)CCc2nc(=O)c3ccccc3[nH]2)cc1,CID2119303,,,,0.0,,0.0,,0.0,0.0,,,,0.0,,,,
O=C(CCc1nc(=O)c2ccccc2[nH]1)NCc1cccc(Cl)c1,CID2477129,,,,,,,,,,,,,,,0.0,,
COc1ccccc1CNC(=O)CCc1nc(=O)c2ccccc2[nH]1,CID2089523,,,,,,,,,,,,,,,0.0,,
CCc1c(C(C)O)oc2ccc3c(C)cc(=O)oc3c12,CID5147385,,,,,,,,,,,,,,,,0.0,
COc1cc2ccc(=O)oc2c2ccoc12,CID108104,,,,,,,,,,,,,,0.0,,,
Cc1cc(=O)oc2c1ccc1oc(C(C)O)c(C)c12,CID618368,,,,,,0.0,,0.0,0.0,,,,,,,0.0,
Cc1cccc(Oc2coc3cc(OC(=O)c4cccs4)ccc3c2=O)c1,CID1182987,,,,,,,,,,,,,,0.0,,,
COc1ccc(Oc2coc3cc(OC(=O)c4cccs4)ccc3c2=O)cc1,CID1181429,,,,,,,,,,,,0.0,,0.0,0.0,,
Cc1ccc(Oc2coc3cc(OC(=O)c4cccs4)ccc3c2=O)cc1,CID992371,,,,,,,,,,,,,,0.0,,,
CCC1CCC2(CC1)NC(=S)N(c1ccccc1)N2,CID749688,,,,,,,,,0.0,,0.0,,,,,,
CC(C)(C)C1CCC2(CC1)NC(=S)N(c1ccccc1)N2,CID795210,,,,,,0.0,,,0.0,,,,,,,,
CC1CC(C)(C)CC2(C1)NC(=S)N(c1ccccc1)N2,CID2884980,,,,,,,,,,,0.0,,,,,,
CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)NCc3ccc4c(c3)OCO4)cc2CC1C,CID3244735,,,,,0.0,,,,,,,,,,,0.0,0.0
CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)NCc3ccc4c(c3)OCO4)ccc21,CID3244721,,,,,,,,0.0,,,,,0.0,,,0.0,
CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)NCc3ccc4c(c3)OCO4)ccc21,CID3237428,,,,,,,0.0,,,,,,,,,0.0,
COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)N3CC(C)CC(C)C3)CC2)cc1OC,CID3240541,,0.0,,,0.0,,,0.0,,,0.0,,,,,,0.0
COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)N3CCCCC3)CC2)cc1OC,CID3236832,,,0.0,,0.0,0.0,,,,,0.0,,,,,,0.0
O=C(NCCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)N2CCCCC2)CC1,CID3242949,0.0,0.0,,,0.0,,,,,,0.0,,,0.0,,,
CCN1CCN(C(=O)c2cnn3c(C(F)F)cc(-c4ccc(C)cc4)nc23)CC1,CID644567,,0.0,,,0.0,,,,,,,,,,,,
Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)N4CCN(C)CC4)c3n2)cc1,CID1113906,,,0.0,,0.0,,0.0,,,,,,,,,,
COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCN(C)CC4)c3n2)cc1,CID1094033,,,,,,,,,,,,0.0,,,,,
Cc1ccc2nc(SCC(=O)c3ccc4c(c3)OCO4)[nH]c2c1,CID743593,,,,,,0.0,,,,,,0.0,,,,,
O=C(CSc1nc2ccc(Cl)cc2[nH]1)c1ccc2c(c1)OCO2,CID917409,,,,,,,,,,,,,,,0.0,,
O=C(CSc1nc2ccccc2[nH]1)c1ccc2c(c1)OCO2,CID659110,,,,0.0,0.0,,,0.0,,0.0,,,0.0,,,,0.0
O=C(CCNC(=O)c1ccco1)NCc1ccccc1,CID2598102,,,,,,,,,,,,0.0,,,,,
O=C(CCNC(=O)c1ccc(Br)o1)NCc1ccccc1Cl,CID3240789,0.0,,,,,,0.0,,,,0.0,,,,,0.0,0.0
O=C(CCNC(=O)c1ccc(Br)o1)NCc1ccc(Cl)cc1,CID3244975,,,,,,,,,,,,,,,,0.0,
Cc1cc(C)nc(Sc2nc(C)nc3c2oc2ccccc23)n1,CID665080,0.0,0.0,,,,,,,,,,,,,,0.0,
Cc1cc(C)nc(Sc2ncnc3c2oc2ccccc23)n1,CID2377721,,,,,,,,,,0.0,0.0,,,,0.0,,
CCc1nc(Sc2nc(C)cc(C)n2)c2oc3ccccc3c2n1,CID665251,,,0.0,0.0,,,,,,,,,,0.0,0.0,0.0,
O=C1CC(Nc2ccccc2)C(=O)N1CCc1ccccc1,CID3372936,,,,,,,,,,,0.0,,,,,,
COc1cccc(NC2CC(=O)N(CCc3ccccc3)C2=O)c1,CID2998851,,,0.0,0.0,,,,0.0,0.0,,,,0.0,,,,0.0
COc1ccc(NC2CC(=O)N(CCc3ccccc3)C2=O)cc1,CID2852769,,,,,,,,,0.0,0.0,,0.0,,,,,
Cc1ccc(C2N(c3ccc(Cl)c(Cl)c3)C(=O)C3CCCN32)o1,CID3238381,0.0,,,,,,,,,,,,0.0,,,,
Cc1ccc(C2N(c3cccc(Cl)c3)C(=O)C3CCCN32)o1,CID5307400,0.0,,,,,,,,,,,,,,,0.0,
COc1ccc(N2C(=O)C3CCCN3C2c2ccc(C)o2)cc1Cl,CID3240748,0.0,0.0,,,,,,,,,,0.0,,,,,0.0
O=C1CC(c2ccccc2)CC(=O)C1=CNCc1ccc(Cl)cc1,CID867720,,,,,,,,,,,,,,,0.0,,
O=C1CC(c2ccccc2)CC(=O)C1=CNCc1ccccc1,CID867715,,,,,,0.0,,,,,,,,,,,
O=C1CC(c2ccccc2)CC(=O)C1=CNCc1ccccc1Cl,CID867718,,,,,,0.0,,,,,,,,,,,
CC(=O)NC(=O)NC1CSCC1OC(C)=O,CID2832895,,,,,,,,,,,,0.0,,,0.0,,
CCCOC(=O)CCCCC1SCC(NC(=O)OC)C1NC(=O)OC,CID648351,,0.0,,,,,,,,,0.0,,,,,,
COC(=O)CCCCC1SCC(NC(=O)OC)C1NC(=O)OC,CID645873,,,0.0,0.0,,,,,,,0.0,,,,,,
CCC(=O)N1CCc2cc(OC)c(OC)cc2C1COc1ccc(C(=O)OC)cc1,CID3237604,,,,,,,,0.0,,,,,,,,,
CCc1ccc(OCC2c3cc(OC)c(OC)cc3CCN2C(=S)NC)cc1,CID3598272,,,,,,,,,,,,,,0.0,,,
CNC(=S)N1CCc2cc(OC)c(OC)cc2C1COc1ccc(OC)cc1,CID4459001,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(N2C(=O)CN=C2Nc2ccccc2F)cc1,CID1454561,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(N2C(=O)CN=C2Nc2ccccc2Cl)cc1,CID1454560,,,,,,0.0,,,,,,,,,,,
COc1ccc(N2C(=O)CN=C2Nc2cccc(C)c2C)cc1OC,CID645537,0.0,0.0,0.0,0.0,,,0.0,0.0,0.0,,,,,,,,0.0
Cc1ccc(-n2ncc3c(N4CCC5(CC4)OCCO5)ncnc32)c(C)c1,CID1078538,,,0.0,,,,,0.0,,,,,,,,,
Cc1cccc(-n2ncc3c(N4CCC5(CC4)OCCO5)ncnc32)c1,CID1078539,,0.0,,,,,,,,,,,,,,0.0,
c1ccc(-n2ncc3c(N4CCC5(CC4)OCCO5)ncnc32)cc1,CID866521,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccc(/C=C/c2nc3ccccc3o2)cc1)c1c(F)cccc1F,CID5928732,,,,,,,,,,,,0.0,,,,,
O=C(Nc1ccc(/C=C/c2nc3ccccc3o2)cc1)c1ccc(F)cc1,CID5936093,,,,,,0.0,,,,,,,,,0.0,,
O=C(Nc1ccc(/C=C/c2nc3ccccc3o2)cc1)c1cccc(C(F)(F)F)c1,CID5916737,,,,,,,,,,,,,,0.0,,,
Cc1cc(C(C)(C)C)oc1C(=O)N(CC(=O)NC1CCCC1)c1c(C)cccc1C,CID1454983,,,,,,,,,,,,0.0,,,,,
Cc1ccc(C)c(N(CC(=O)NC2CCCC2)C(=O)c2oc(C(C)(C)C)cc2C)c1,CID1454981,,,,,,,,,,,,0.0,,,,,
Cc1ccccc1N(CC(=O)NC1CCCC1)C(=O)c1oc(C(C)(C)C)cc1C,CID1454979,,,,,,,,,,,,0.0,,,,,
C/C(=N\NC(=O)Cc1ccccc1)c1cccs1,CID2857252,,,,,,0.0,,,,,,,,,,,
O=C(Cc1ccc(Cl)cc1)N/N=C/c1cccs1,CID801024,,,,,,,,,,,,,,0.0,,,
O=C(Cc1ccccc1)N/N=C/c1ccc([N+](=O)[O-])s1,CID768424,,,,,,,,,,,,0.0,,,,,
Cc1nn(C)c(C)c1CNC(=O)C1=CC2=NC(c3cccs3)CC(C(F)(F)F)N2N1,CID5767122,,,,,,,0.0,,,,,,,,,,
Cc1nn(C)c(C)c1CNC(=O)C1=C(Cl)C2=NC(c3cccs3)CC(C(F)(F)F)N2N1,CID5767123,,,,,,,,,,,,0.0,,,,,
Cc1nn(C)cc1CN(C)C(=O)C1=C(Cl)C2=NC(c3cccs3)CC(C(F)(F)F)N2N1,CID5767121,,,,,,,0.0,,,,,,,,,,
Cn1c(=O)c2c(ncn2CC(=O)Nc2nc(-c3ccccc3Cl)cs2)n(C)c1=O,CID2997571,,,,0.0,0.0,,,,,,0.0,,0.0,,,,0.0
Cc1ccc(-c2csc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)n2)cc1C,CID4573293,,,,,,,,,,,,0.0,,,,,
Cn1c(=O)c2c(ncn2CC(=O)Nc2nc(-c3ccccc3)cs2)n(C)c1=O,CID1164343,,,,,,0.0,,,,,,,,,,,
CCn1c(=O)cc(SCC(=O)N2CCC3(CC2)OCCO3)c2ccccc21,CID3242137,0.0,,0.0,0.0,,0.0,,,0.0,0.0,,,,,,,
Cn1c(=O)cc(SCC(=O)N2CCC3(CC2)OCCO3)c2ccccc21,CID3245524,,,0.0,,,0.0,,0.0,,0.0,,,,,,0.0,
Cn1c(=O)cc(SCC(=O)N2CCC3(CC2)OCCO3)c2ccc(Cl)cc21,CID3244867,0.0,0.0,,,0.0,,,0.0,,,,,,,,,0.0
CCNC(=O)c1ccccc1CCc1ccccc1,CID1255271,,,,,,,,,,,,,,,0.0,,
CCCC(O)(c1ccc(OC)cc1)C(CN(C)C)c1ccccc1,CID5189559,,,,,,,,,,,,0.0,,,,,
NC(=O)NC(Cc1ccccc1)c1ccccc1,CID2853470,0.0,,,,,,0.0,,,0.0,,,,,,,0.0
CCN1CCN(C(=O)CCN2C(=O)COc3ccc(C)cc32)CC1,CID3245109,,,,0.0,,,,,,,,,,,,,
CCOC(=O)N1CCN(C(=O)CCN2C(=O)COc3ccc(C)cc32)CC1,CID3238857,0.0,,,,,,,,,,,0.0,,0.0,,,
CCOC(=O)N1CCN(C(=O)CCN2C(=O)COc3ccccc32)CC1,CID3240504,,,,,,,,0.0,,,,,,,0.0,,
COc1ccc(-c2cc(C(=O)N3CC4(C)CC3CC(C)(C)C4)no2)cc1,CID3241173,,,,,0.0,0.0,,0.0,0.0,,,,,,,,
COc1ccc(-c2cc(C(=O)N3CC4(C)CC3CC(C)(C)C4)no2)cc1OC,CID3243807,,,,,0.0,,,0.0,,,0.0,,,,,0.0,
COc1cccc(-c2cc(C(=O)N3CC4(C)CC3CC(C)(C)C4)no2)c1,CID3244808,0.0,,,,0.0,,,,,,,,,0.0,,,0.0
Cc1ccc2c(c1)N(CCC(=O)N1CCC3(CC1)OCCO3)C(=O)CO2,CID3239493,,0.0,0.0,,,,,0.0,,,,,0.0,,,0.0,
O=C(CCN1C(=O)COc2ccccc21)N1CCC2(CC1)OCCO2,CID3235837,,,,0.0,,,,,,,,,,,,,0.0
Cc1ccc2c(c1)N(CCC(=O)N1CCC3(CC1)OCCO3)C(=O)C(C)O2,CID3238115,,0.0,,,,,,0.0,,,,,0.0,,,,
CCOC(=O)c1[nH]c(C)c(C(=O)NCc2cccnc2)c1C,CID5309157,,0.0,0.0,,,,,,,0.0,,,,,,,
CCOC(=O)c1c(C)c(C(=O)NCc2cccnc2)c(C)n1CC,CID3243999,,0.0,,,0.0,,,,,,,,,,,,
CCOC(=O)c1c(C)c(C(=O)NCc2cccnc2)c(C)n1C,CID3242268,,,,,0.0,,,0.0,0.0,,,,0.0,,,,
Cc1ccc(SCC(=O)NC(=O)NCc2ccco2)cc1C,CID2577155,,,,,,,,,,,,,,,0.0,,
O=C(CSc1cccc(C(F)(F)F)c1)NC(=O)NCc1ccco1,CID2591990,0.0,,,,0.0,,0.0,0.0,,0.0,,,,,,,0.0
Cc1ccc(SCC(=O)NC(=O)NCc2ccco2)c(C)c1,CID2616375,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(CCNC(=O)c2cc3sccc3n2C)cc1OCC,CID3241707,,,0.0,,,,,0.0,,,,,,,0.0,,
COc1ccc(CCNC(=O)c2cc3sccc3n2C)cc1OC,CID651081,0.0,,,,0.0,,,0.0,,,,,,0.0,,,
COc1ccc(CCNC(=O)c2cc3sc(Cl)cc3n2C)cc1OC,CID5307776,0.0,0.0,,,,,,,,,,,,,,,0.0
COc1cccc(CNc2cc(CSc3ccc(Cl)cc3)nc(C)n2)c1,CID1476660,,,,,,0.0,,,,,,0.0,,,,,
Cc1nc(CSc2ccc(Cl)cc2)cc(NCc2ccccc2)n1,CID1479455,,,,,,0.0,,,,,,,,,,,
COc1ccccc1CNc1cc(CSc2ccc(Cl)cc2)nc(C)n1,CID1476645,,,,,,,,,,,0.0,,,,0.0,,
Cc1ccc(-c2ccc(CCC(=O)O)n2CC2CCCO2)cc1,CID2977708,,,,,,,,,0.0,,,,,,,,
O=C(O)CCc1ccc(-c2ccccc2)n1CC1CCCO1,CID2968194,0.0,,0.0,,,,0.0,,,,,,,,,,
O=C(O)CCc1ccc(-c2ccc(F)cc2)n1CC1CCCO1,CID2982776,,,,,,0.0,,,,,0.0,,,,,,
Cc1cc(N2CCCC2)n2nc(C)c(-c3ccccc3)c2n1,CID665982,,0.0,,0.0,,,0.0,,,,,,,,,,
Cc1nn2c(N3CCCC3)cc(C(C)C)nc2c1-c1ccccc1,CID666600,,,0.0,0.0,,0.0,0.0,0.0,,,,,0.0,,,,
CCCc1cc(N2CCCC2)n2nc(C)c(-c3ccccc3)c2n1,CID666759,,0.0,0.0,,,,,0.0,,,,,0.0,,,,
CC(CCc1ccccc1)NC(=O)c1ccco1,CID2904488,,,,,,,,,0.0,0.0,0.0,,,,,,
CC(CCc1ccccc1)NC(=O)c1ccc(Br)o1,CID3246782,0.0,,,,,,,,,,,,,,,0.0,
O=C(NCCCc1ccccc1)c1ccc(Br)o1,CID1744616,0.0,,,,,,,,0.0,,0.0,0.0,,,,0.0,
CC12CC(NC(=O)N1c1cccc(C(=O)N3CCN(c4ccccc4)CC3)c1)c1ccccc1O2,CID3237842,,,0.0,,,,,,,,,,0.0,,,,0.0
COc1ccccc1N1CCN(C(=O)c2cccc(N3C(=O)NC4CC3(C)Oc3ccccc34)c2)CC1,CID3238647,,,,,,0.0,,,,,,,,,,,
CC12CC(NC(=O)N1c1cccc(C(=O)N3CCN(c4ccccc4F)CC3)c1)c1ccccc1O2,CID3239071,,,0.0,,,,,,,,,0.0,0.0,,,,
Cc1c(N2C(=O)/C(=C/c3ccccc3)SC2=S)c(=O)n(-c2ccccc2)n1C,CID1640573,,,,,,0.0,,,,,,,,0.0,,,
COc1cc(/C=C2/SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)ccc1O,CID1745927,,,,,,,,,,,,,,0.0,,,
Cc1ccc(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1,CID1230208,,,,,,0.0,,,,,,,,0.0,,,
O=C(CSc1ccc(-c2ccccc2)nn1)N1CCOCC1,CID650647,0.0,0.0,,0.0,,,,,,,0.0,,,,,,
COc1ccc(-c2ccc(SCC(=O)N3CCOCC3)nn2)cc1OC,CID654821,,,,,,0.0,,0.0,,,,,0.0,,,,
COc1ccc(-c2ccc(SCC(=O)N3CCOCC3)nn2)cc1,CID655544,0.0,0.0,,0.0,,0.0,,,,,,,0.0,,,,0.0
COc1ccc(OCCNc2cc(N3CCCCC3)ccc2[N+](=O)[O-])cc1,CID2855175,,,,,,0.0,,,,,,0.0,,,,,
Cc1ccccc1OCCNc1cc(N2CCCCC2)ccc1[N+](=O)[O-],CID2854999,,,,,,0.0,,,,,,0.0,,,,,
COc1cccc(OCCNc2cc(N3CCCCC3)ccc2[N+](=O)[O-])c1,CID2854974,,,,,,0.0,,,,,,0.0,,,,,
CC1(C)Cc2c(sc3[nH]c(=S)n(Cc4ccccc4)c(=O)c23)CO1,CID1046983,,,,,,,,,,0.0,0.0,,,0.0,,,
CC(C)C1Cc2c(sc3[nH]c(=S)n(Cc4ccccc4)c(=O)c23)CO1,CID2948745,,,,,,,,,,,,,,,0.0,,
CCC1(C)Cc2c(sc3[nH]c(=S)n(Cc4ccccc4)c(=O)c23)CO1,CID2870135,,,,,,,,,,0.0,,,,,,,
CCN(CC(=O)Nc1c(C(=O)OC)[nH]c2ccccc12)c1ccc2c(c1)OCO2,CID658864,,,,,,,,0.0,,,,,0.0,,,,
CCN(CC(=O)Nc1c(C(=O)OC)[nH]c2ccc(Cl)cc12)c1ccc2c(c1)OCO2,CID664705,,,,,,,,,,,,,,,,0.0,0.0
CCN(CC(=O)Nc1c(C(=O)OC)[nH]c2ccc(C)cc12)c1ccc2c(c1)OCO2,CID658814,,,0.0,,,,,,,,,0.0,,,,,0.0
N#CC1=C(N)Oc2n[nH]c(-c3ccc(F)cc3)c2C1c1ccncc1,CID3240800,,,,0.0,,,,,,0.0,0.0,,,,,0.0,
COc1ccc(-c2[nH]nc3c2C(c2ccncc2)C(C#N)=C(N)O3)cc1,CID645996,,,,0.0,,,0.0,,,,0.0,,0.0,,,0.0,
N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2C1c1ccncc1,CID644923,,0.0,,,,,0.0,,,,,,0.0,,,0.0,
O=C1Nc2ccccc2/C1=C1/SC(=S)N(CC2CCCO2)C1=O,CID5310885,,,,,,0.0,,,,,,,0.0,,,,
CN1C(=O)/C(=C2\SC(=S)N(CC3CCCO3)C2=O)c2ccccc21,CID2874885,,,0.0,,0.0,,0.0,,0.0,0.0,,,,,0.0,,
CCN1C(=O)/C(=C2\SC(=S)N(CC3CCCO3)C2=O)c2ccccc21,CID2872626,,,0.0,,0.0,0.0,,,0.0,0.0,0.0,,0.0,0.0,0.0,,
CCOc1ccc(N(CC(=O)N2CCN(c3ccccc3)CC2)S(=O)(=O)c2c(C)noc2C)cc1,CID5309503,,,,,,,,0.0,,,0.0,,,,0.0,,
Cc1cc(C)cc(N(CC(=O)N2CCN(c3ccccc3)CC2)S(=O)(=O)c2c(C)noc2C)c1,CID5307946,,,,,,,,0.0,,,,,,,,,
COc1ccc(N(CC(=O)N2CCN(c3ccccc3)CC2)S(=O)(=O)c2c(C)noc2C)cc1,CID5307355,,,0.0,,,,,,,,0.0,,,,,0.0,
O=C(CSc1ncn[nH]1)NCc1ccccc1,CID767927,,,,,,,,,,,0.0,,,,0.0,,
CC(C)Oc1ccc(C(CC(=O)O)NC(=O)CSc2ncn[nH]2)cc1,CID3244422,,,,,,0.0,,,,,,,,,0.0,0.0,
COc1ccc(CNC(=O)CSc2ncn[nH]2)cc1,CID2346981,,0.0,,0.0,,,,0.0,0.0,0.0,,,,,,0.0,
O=C(NCC1COc2ccccc2O1)c1ccccc1,CID2821755,,,,,,,,,,,,,0.0,,,0.0,0.0
CC(NC(=O)c1ccccc1Cl)C1COc2ccccc2O1,CID2900710,,,0.0,,,,,,,0.0,,,0.0,0.0,,0.0,
O=C(NCC1COc2ccccc2O1)c1ccc(Cl)cc1,CID645618,,,0.0,,,,,,0.0,0.0,,,,,,,
Cc1cccc(-n2c(N)c(C(=O)N3CCN(C)CC3)sc2=S)c1,CID3000187,,,0.0,,,,,,0.0,,,,,,,,
Cc1ccc(-n2c(N)c(C(=O)N3CCN(C)CC3)sc2=S)cc1,CID889983,,,,,,,,,0.0,0.0,,,,,,,
CN1CCN(C(=O)c2sc(=S)n(-c3ccccc3)c2N)CC1,CID889170,,,,,,,,,0.0,0.0,,,,,,,
c1ccc(-n2nnnc2Oc2cccc3cccnc23)cc1,CID1519798,,0.0,0.0,,,,,0.0,,,,,0.0,,,,0.0
O=C(O)c1ccc(-n2nnnc2Oc2cccc3cccnc23)cc1,CID1251530,,,,,,,,,0.0,,0.0,,,,0.0,,
Cc1ccc2cccc(Oc3nnnn3-c3ccccc3)c2n1,CID2999736,,0.0,0.0,,,,,0.0,,,,,0.0,,,,
CC1(C)CC(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)C(=O)C1,CID1335027,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)CC(C)(C)CC2=O)cc1,CID1345525,,,,,,0.0,,,,,,0.0,,0.0,,,
CC1(C)CC(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C(=O)C1,CID1345509,,,,,,0.0,,,,,,,,,,,
COc1ccc(CCNC(=O)NC2CCCCC2)cc1OC,CID786964,0.0,,,0.0,,,,0.0,,0.0,,,,0.0,,,0.0
O=C(NCCc1ccccc1)NC1CCCCC1,CID742677,,,,,,,0.0,,,0.0,,,,,,,
COc1ccc(CCNC(=O)NC2CCCCC2)cc1,CID840552,,,,,,,,,,0.0,0.0,0.0,,,,,
Cc1ccc(CC(=O)NC(C)CCc2ccccc2)cc1,CID2937998,,,,,,0.0,,,,0.0,0.0,,,,0.0,,
Cc1ccc(CC(=O)NCCCc2ccccc2)cc1,CID2195498,,,,,,0.0,,,,0.0,,,,,,,
O=C(Cc1ccccc1)NCCCc1ccccc1,CID2278032,,,,,,,,,,0.0,0.0,,,,,,
CC(C)NC(=S)N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID714646,,,,,,,,,,,,,,0.0,,,
CCC(CC)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID896230,,,,,,,,,,,,0.0,,,,,
CC(C)CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID670803,,,,,,,,,,,,0.0,,,,,
O=C(Nc1nnc(SCc2ccccc2)s1)c1cc2c(s1)CCCC2,CID2558414,,,,,,,,,0.0,0.0,,,,,,,
CC1CCc2sc(C(=O)Nc3nnc(SCc4ccc(F)cc4)s3)cc2C1,CID4832875,,,,,,,,,,,,0.0,,,,,
COC(=O)c1ccc(CSc2nnc(NC(=O)c3cc4c(s3)CCCC4)s2)cc1,CID2487185,,,,,,,,,0.0,,,,,,,,
COCc1[nH]nc2c1C(c1ccsc1)C(C#N)=C(N)O2,CID652233,,,,,,,,0.0,,,,,,,,,
CCc1[nH]nc2c1C(c1ccsc1)C(C#N)=C(N)O2,CID2962006,,,,,,,,,,0.0,0.0,,,,,,
Cc1cc(C2C(C#N)=C(N)Oc3n[nH]c(C)c32)c(C)s1,CID2950078,,,,,,,,,,0.0,0.0,,,,,,
C/C(=N\NC(=O)c1cc(C2CC2)nc2ccccc12)c1ccc(C)s1,CID842184,,,,,,0.0,,,,,,,,,,,
O=C(N/N=C/c1cccs1)c1cc(C2CC2)nc2ccccc12,CID842179,,,,,,,,,,,,,,0.0,,,
CCc1ccc(/C=N/NC(=O)c2cc(C3CC3)nc3ccc(Br)cc23)s1,CID1765066,,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2C2CCCCC2)cc1,CID1317004,0.0,0.0,,,0.0,,0.0,0.0,0.0,,,,,,,,
Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2C2CCCCC2)c1,CID2030529,,,,,,,,,0.0,,0.0,0.0,,,0.0,,
Cn1c(=O)c2c(-c3ccccc3)n(C3CCCCC3)cc2n(C)c1=O,CID802159,0.0,0.0,0.0,0.0,,,0.0,,0.0,,,0.0,0.0,,,,
CCOC(=O)/C(C#N)=C1/C=Cc2ccccc2N1CC,CID5310923,,,,,,0.0,,,,,,,,,,,
CCOC(=O)/C(C#N)=C/C=C1\C=Cc2ccccc2N1CC,CID2323759,,,,,,,,,,,,,,0.0,,,
COC(=O)/C(C#N)=C1/C=Cc2ccccc2N1,CID5678315,,,,,,,,,,,,,,,0.0,,
Cc1cc(=O)oc2cc(OC(C)C(=O)N3CCCc4ccccc43)ccc12,CID2969255,0.0,,,0.0,,,,,,,,,,,,,
CCc1cc(=O)oc2cc(OCC(=O)N3CCCc4ccccc43)ccc12,CID1079187,0.0,,,,,,0.0,,0.0,,,,,,,,
Cc1cc(=O)oc2cc(OCC(=O)N3CCCc4ccccc43)ccc12,CID863921,0.0,,,,,,0.0,,,,,,,,0.0,0.0,
Cc1nn(CC(O)COc2ccc3c(c2)CCC3)c(C)c1C,CID2981604,,,,,0.0,,,,,,,,,,,,0.0
CC(=O)c1c(C)nn(CC(O)COc2ccc3c(c2)CCC3)c1C,CID2962051,,,0.0,,0.0,,0.0,,,,,,,,,,0.0
Cc1nn(CC(O)COc2ccc3c(c2)CCC3)c(C)c1Br,CID2962052,,,,,,,,,0.0,,0.0,,,,,,
COc1cccc(-n2c(SCC(=O)N3CCOCC3)nc3c([nH]c4ccccc43)c2=O)c1,CID2156086,,,0.0,,,,,,,,,,,,,0.0,0.0
O=C(CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1cccc(Cl)c1)N1CCOCC1,CID2156259,0.0,,0.0,0.0,,,,,,,0.0,0.0,,,,,
O=C(CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccccc1)N1CCOCC1,CID3346917,0.0,,,,,,,0.0,,,0.0,,0.0,,,,
CCn1c(=O)cc(OCC(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)c2ccccc21,CID3244048,0.0,,,,,,,,,,,,,,,,
Cn1c(=O)cc(OCC(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)c2ccccc21,CID5308824,0.0,,,,,,,,,,,,,,,,
Cn1c(=O)cc(OCC(=O)NCCCN2CCN(c3ccccc3F)CC2)c2ccccc21,CID3243990,,,,,,,,,,0.0,,,,,,,
COc1cccc(-c2cc(C(F)(F)F)nc(-n3cccn3)n2)c1,CID4093842,,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2cc(C(F)F)nc(-n3nc(C)cc3C)n2)cc1,CID651086,,,,0.0,0.0,,,,,0.0,,,,,,,
COc1ccc(-c2cc(C(F)(F)F)nc(-n3cc(Cl)cn3)n2)cc1,CID4277284,,,,,,,,,,,,0.0,,,,,
Cc1cc(C(=O)CSc2nc(=O)cc(N)[nH]2)c(C)n1CCc1ccc(F)cc1,CID2121884,,,,,,,,,,0.0,0.0,,,,,,
COc1ccc(CCn2c(C)cc(C(=O)CSc3nc(=O)cc(N)[nH]3)c2C)cc1,CID2474861,,,,,,0.0,,,,0.0,,,,0.0,,,
Cc1cc(C(=O)CSc2nc(=O)cc(N)[nH]2)c(C)n1CCc1ccc(Cl)cc1,CID2104350,,,,,,,,,,,,0.0,,,0.0,,
CCc1ccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2ccco2)cc1,CID3196394,,,,,,,,,0.0,,,,,,,,
COC(=O)c1cccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2ccco2)c1,CID3196382,,,,,,,,,0.0,0.0,,,,,,,
COC(=O)c1ccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2ccco2)cc1,CID3196381,,,,,,,,,0.0,,,0.0,,,,,
COc1ccc(-c2csc3nc(-c4ccccc4)oc(=O)c23)cc1OC,CID1082741,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(-c2csc3nc(-c4ccccc4OC)oc(=O)c23)cc1,CID1206154,,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2csc3nc(-c4ccccc4F)oc(=O)c23)cc1OC,CID1082744,,,,,,,,,,,,,,0.0,,,
CC(C)(C)c1nc2scc(-c3cccs3)c2c(=O)o1,CID828211,,,,,0.0,,0.0,,,0.0,,,,,,,
CCc1nc2scc(-c3cccs3)c2c(=O)o1,CID744713,,,,,,,,,,,,0.0,,,,,
Cc1nc2scc(-c3cccs3)c2c(=O)o1,CID804822,,,,,,,0.0,,,0.0,,0.0,,0.0,,,
CCn1cc(S(=O)(=O)CC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc21,CID2157582,,,0.0,,,,0.0,,,,,,,,0.0,,
Cn1cc(S(=O)(=O)CC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc21,CID2053104,,,,,,,,,,,,,,,,0.0,
O=C(CS(=O)(=O)c1c[nH]c2ccccc12)Nc1ccc2c(c1)OCCO2,CID2053100,,,,,,,,,0.0,,,,,,0.0,0.0,
Cc1cccc(N2CCN(C(=O)c3ccccc3NC(=O)C3CC=CCC3C(=O)O)CC2)c1,CID5079713,,,,,,0.0,,,,,,,,,,,
Cc1ccccc1N1CCN(C(=O)c2ccccc2NC(=O)C2CC=CCC2C(=O)O)CC1,CID4426017,,,,,,0.0,,,,,,,,,,,
Cc1ccc(N2CCN(C(=O)c3ccccc3NC(=O)C3CC=CCC3C(=O)O)CC2)cc1,CID4228956,,,,,,0.0,,,,,,,,,,,
O=C(NCCCn1ccnc1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1,CID2999040,,,0.0,,,,,,,,,,,,,,0.0
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCCn2ccnc2)cc1,CID2998727,0.0,,,0.0,,,,,,,,,0.0,0.0,,,
O=C(NCCCn1ccnc1)c1cn(-c2ccccc2)nc1-c1ccccc1,CID2999655,0.0,,0.0,0.0,,,,,,0.0,,,,,,,0.0
CC/C(=C1/C(=O)CC(C)(C)C(C(=O)OC)C1=O)N1CCCC1,CID659398,,,0.0,0.0,,0.0,0.0,,,,0.0,,,,,0.0,
CCCC(=C1C(=O)CC(CC(C)SCC)CC1=O)N1CCCC1,CID626392,,,,,,,0.0,,,,,,,,,,
CCC/C(=C1/C(=O)CC(C)(C)C(C(=O)OC)C1=O)N1CCCC1,CID2834742,,,,0.0,,,,,,,,,,,,0.0,0.0
CCc1cccc(NC(=O)CSCc2cc(=O)[nH][nH]2)c1,CID2226993,,,,,,,,,,0.0,0.0,,,,,,
CCCCc1ccc(NC(=O)CSCc2cc(=O)[nH][nH]2)cc1,CID2229171,,,,,,,,,,,0.0,,,0.0,,,
Cc1c(Cl)cccc1NC(=O)CSCc1cc(=O)[nH][nH]1,CID2225766,,0.0,0.0,,,,,,,,,,,,,,0.0
COCCNC1=NN=C(c2ccc(NC(C)=O)cc2)CS1,CID3463143,,,,,,,,,,,,,,,0.0,,
COCC(C)NC1=NN=C(c2ccc(NC(C)=O)cc2)CS1,CID4882885,,,,,,,,,,,,,,,0.0,,
CCNC1=NN=C(c2ccc(C)cc2)CS1,CID4258569,,,,,,0.0,,,,,,,,,,,
O=C(NCCc1ccccc1)c1nc2ncccn2n1,CID821830,,,,,,,,,,,,0.0,,,,,
Cc1cc(C)n2nc(C(=O)NCCc3ccccc3)nc2n1,CID2451992,,,,,,,,,,,,0.0,,,,,
COc1ccc(CCNC(=O)c2nc3ncccn3n2)cc1OC,CID821834,,,,0.0,,,0.0,,,,,,,,,,
CCOC(=O)Cn1c(=O)c2c(nc3n2CCS3)n(C)c1=O,CID654180,,0.0,,,,,,,,,,,,,,,0.0
C/C(Cl)=C\Cn1c(=O)c2c(nc3n2CCS3)n(C)c1=O,CID5389039,0.0,0.0,,,,,0.0,,,,,,,,,,
Cn1c(=O)n(CC(=O)O)c(=O)c2c1nc1n2CCS1,CID651496,,0.0,,,,,,,,,,,,,,,0.0
C=CCc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc(OC)c1O,CID6302332,,,,,,,,,,,,,,0.0,,,
COC(=O)CN1C(=O)N/C(=C/c2cc(Cl)c(OC)c(OC)c2)C1=O,CID5878420,,,,,,,,,,,,,,,0.0,,
CN(C)c1ccc(/C=C2/NC(=O)NC2=O)cc1,CID745258,,,,,,,,,,,,,,0.0,0.0,,
O=S(=O)(NC1CCCCC1Sc1ncccn1)c1ccc(Cl)cc1,CID2913622,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)nc(SC2CCCCC2NS(=O)(=O)c2ccccc2)n1,CID2912155,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)nc(SC2CCCCC2NS(=O)(=O)c2ccc(Cl)cc2)n1,CID2913649,,,,,,,,,,,,,,0.0,,,
CCc1ccc(C(=O)COC(=O)C(CCSC)NC(=O)c2ccccc2)cc1,CID2913623,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)COC(=O)CNC(=O)c2ccc(OC)cc2)cc1,CID2357312,,,,,,,,,,,,,,0.0,,,
COc1cccc(C(=O)NCC(=O)OCC(=O)c2ccccc2)c1,CID2165686,,,,,,,,,,,,,,,0.0,,
Cc1ccc(CNS(=O)(=O)NCc2ccccc2)cc1,CID1488551,,,,,,0.0,,,,,,0.0,,,,,
COc1ccc(CNS(=O)(=O)NCc2ccccc2)cc1,CID1475423,,,,,,,,,,,,,,,0.0,,
COc1ccc(CNS(=O)(=O)NCc2ccc(C)cc2)cc1,CID1475428,,,,,,,,,,,,,,0.0,,,
O=C(NCC1CCCO1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1,CID2921033,,,,0.0,,,,,,,,,0.0,,,0.0,0.0
CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)NCC3CCCO3)CC2)cc1,CID2937371,,0.0,,,0.0,,,0.0,0.0,,,,,,,,
O=C(NCC1CCCO1)C1CCN(C(=O)c2ccc(Br)cc2)CC1,CID2942254,,,,,,,,,0.0,,,0.0,,,,,0.0
CC1CCCCC1NC(=O)C1CCN(S(=O)(=O)N2CCOCC2)CC1,CID3242330,,,0.0,,,,,0.0,,,0.0,,0.0,,0.0,,0.0
O=C(NC1CCCCC1)C1CCN(S(=O)(=O)N2CCOCC2)CC1,CID3241739,,,,0.0,,0.0,,,,,,,,,0.0,0.0,
CC1CCCC(NC(=O)C2CCN(S(=O)(=O)N3CCOCC3)CC2)C1C,CID3241130,,,,0.0,,0.0,,0.0,,,,,,,,,
c1ccc(-c2ccnc3nc(N4CCN(c5ccccc5)CC4)nn23)cc1,CID1473227,,,,,,,,,,,,,,,0.0,,
Fc1ccc(-c2ccnc3nc(N4CCN(c5ccccc5)CC4)nn23)cc1,CID1473229,,,,,,,,,,,,,,,0.0,,
COc1ccc(-c2ccnc3nc(N4CCN(c5ccccc5)CC4)nn23)cc1,CID1473228,,,,,,,,,,,,,,,0.0,,
CCn1c(C(=O)OC)cc2c1ccn2-c1ccc(F)cc1,CID655953,,,,,,,,0.0,,,,,,,,,
CCCn1c(C(=O)OC)cc2c1ccn2-c1ccc(F)cc1,CID3231582,,,,,,0.0,,,,,,0.0,,,,,
COC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1C(C)C,CID1383760,,,,,,0.0,,,,,,,,,,,
CN(CC(=O)NC1CCCCC1)S(=O)(=O)c1cccc2nsnc12,CID3239119,0.0,0.0,,0.0,0.0,,,,,0.0,,,,,,0.0,0.0
O=C(CNS(=O)(=O)c1cccc2nsnc12)NC1CCCCC1,CID3240464,,0.0,,,0.0,,,,0.0,0.0,0.0,,,,,,
CC1CCCCC1NC(=O)CN(C)S(=O)(=O)c1cccc2nsnc12,CID3238342,,,,,,,,,,0.0,,,,,,,
O=C(Oc1cccc2cccnc12)c1ccc(Br)o1,CID648162,0.0,,,,,,0.0,,0.0,,,,,,,,0.0
O=C(Oc1cccc2cccnc12)c1ccco1,CID739638,,,,,,,,,0.0,0.0,0.0,,,,,,
O=C(Oc1ccc(Cl)c2cccnc12)c1ccco1,CID699693,,,,,,,,,,0.0,,,,,,,
CN1CCN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)CC1,CID871509,0.0,0.0,,,0.0,,,0.0,,,,,0.0,,,,
Cc1ccc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1,CID889439,,0.0,0.0,,0.0,0.0,0.0,0.0,,,0.0,,,,,,
CN1CCN(S(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)CC1,CID983834,0.0,0.0,0.0,0.0,0.0,,,,,0.0,,,,,0.0,,
CC(C(=O)Nc1ccc(N2CCOCC2)cc1)N1C(=O)c2ccccc2C1=O,CID2788209,,,,,,,0.0,,0.0,,,,0.0,,,,
O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(N2CCOCC2)cc1,CID1181768,,,,,,,,,0.0,,,,0.0,,,,
CC(C)C(C(=O)Nc1ccc(N2CCOCC2)cc1)N1C(=O)c2ccccc2C1=O,CID2788210,,,0.0,,0.0,,0.0,,0.0,,0.0,,,,,,
Cc1ccc(OCCSc2cc(C)nc(N)n2)cc1,CID2178563,,0.0,,,,,,,,,0.0,,0.0,,,,0.0
Cc1cccc(OCCSc2cc(C)nc(N)n2)c1,CID2175572,,0.0,,0.0,,,0.0,0.0,,,0.0,,0.0,,,,0.0
Cc1cc(SCCOc2ccc(Br)cc2)nc(N)n1,CID2056711,,,,,,,,,0.0,,,,,0.0,,,
CCc1ccccc1NC(=S)N(CCN1CCOCC1)C1CCN(C(C)=O)CC1,CID16193362,,,,,,,,,,,,,,0.0,,,
CC(=O)N1CCC(N(CCN2CCOCC2)C(=S)Nc2ccc(C)cc2)CC1,CID4062176,,,,,,,,,,,,,,,0.0,,
CC(=O)N1CCC(N(CCN2CCOCC2)C(=S)Nc2ccc(C)cc2C)CC1,CID4062172,,,,,,,,,,,,,,,0.0,,
Nc1nnc(SCC(=O)N2CCN(Cc3ccccc3)CC2)s1,CID851626,,,,,,,,,,0.0,,,,,,,
Cc1nnc(SCC(=O)N2CCN(Cc3ccccc3)CC2)s1,CID851621,,0.0,,0.0,0.0,,,,0.0,,,,,0.0,,,
CC(=O)Nc1nnc(SCC(=O)N2CCN(Cc3ccccc3)CC2)s1,CID980314,,,,,,,,,0.0,0.0,,0.0,,,,,
CC(C)(C)c1ccc(C2(C)NC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1,CID4451747,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C2(C)NC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1,CID2997510,,,,,,,0.0,0.0,,,,,0.0,,,,
CCC1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O,CID2998260,,,,,,,,0.0,,,,,,,,,0.0
COC(=O)c1c(C(=O)OC)c(-c2ccc(C)cc2)n2c1CS(=O)(=O)C2,CID1472036,,,,,,,,,0.0,,,0.0,,,,,
COC(=O)c1c(C(=O)OC)c(-c2ccccc2)n2c1CS(=O)(=O)C2,CID1488426,,,,,,,,,,0.0,0.0,,,0.0,,,
COC(=O)c1c(C(=O)OC)c(-c2cccc(C)c2)n2c1CS(=O)(=O)C2,CID1488432,,,,,,,,,,,0.0,0.0,,,0.0,,
CCn1cc(C(=O)OCc2ccccc2)c(=O)c2ccc(C)nc21,CID1257338,,,,,,,0.0,,0.0,,,,,,0.0,,
CCn1cc(C(=O)OCc2cccc(Br)c2)c(=O)c2ccc(C)nc21,CID1314297,,,,,,,0.0,,0.0,,,0.0,,,,,0.0
CCn1cc(C(=O)OCc2ccc(F)cc2)c(=O)c2ccc(C)nc21,CID974021,,,,,,,,0.0,,,,,,,,,
O=C(NCc1ccco1)c1nc2n(Cc3cccc(Cl)c3)[nH]nc-2c(=O)n1,CID1432096,,,,,,,,,,,0.0,,,,,,
Cc1ccc(Cn2[nH]nc3c(=O)nc(C(=O)NCc4ccco4)nc2-3)cc1,CID652144,,,,0.0,,,,,,,,,,,,,
O=C(NCc1ccco1)c1nc2n(Cc3ccccc3Cl)[nH]nc-2c(=O)n1,CID1432125,,,,,,,,,,0.0,,,,,,,
CCCS(=O)(=O)N1CCCC(C(=O)NCCCN(CC)c2cccc(C)c2)C1,CID3239463,,,0.0,,,0.0,0.0,,,0.0,,,,,,,
CCN(CCCNC(=O)C1CCCN(S(=O)(=O)CC)C1)c1cccc(C)c1,CID3245067,,0.0,,,,,,,,,,,,,,,
CCCS(=O)(=O)N1CCCC(C(=O)NCCCN(C)c2ccccc2)C1,CID3242399,,,,0.0,,,0.0,0.0,,,,,,,,,0.0
CC(=O)N1N=C(c2ccco2)CC1c1ccc(Br)cc1,CID2729938,,,,,,,,,,,,,,,0.0,,
CC(=O)N1N=C(c2ccc(C)o2)CC1c1ccc(Br)cc1,CID2960486,,,,,,,,,,,,0.0,,,,,
COc1ccc(C2CC(c3ccc(C)o3)=NN2C(C)=O)cc1,CID2885313,,,,,,,,,,,,,,0.0,0.0,,
N#Cc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1,CID2394592,,,,,,,,,,,,,,,0.0,,
Cc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1,CID746091,,,,,,0.0,,,,,,,,,,,
Cc1ccccc1NC(=O)c1cc(=O)c2ccccc2o1,CID746092,,,,,,0.0,,,,,,,,,0.0,,
C=CCSc1nc(Oc2ccccc2)c2sccc2n1,CID3382829,,,,,,0.0,,,,,,,,,,,
COc1ccc(Oc2nc(SC)nc3ccsc23)cc1,CID1484666,,,,,,0.0,,,,,,,,0.0,0.0,,
CSc1nc(Oc2ccc(Cl)cc2)c2sccc2n1,CID1484661,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1NC(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1,CID2238361,,,,,,,,,,,,,,0.0,,,
CCOc1ccc2nc(NC(=O)Nc3ccccc3)sc2c1,CID888504,,,,,,,,,,,0.0,,,,0.0,,
CS(=O)(=O)c1ccc2nc(NC(=O)Nc3cccc(Cl)c3)sc2c1,CID1069494,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CN1CCC2(CC1)OCCO2,CID658909,,,,,,,,0.0,,,0.0,,0.0,,,,0.0
CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)C(C)N1CCC2(CC1)OCCO2,CID660074,,,,0.0,,,,,,,,,,,,,
CCOC(=O)c1[nH]c2ccc(OCC)cc2c1NC(=O)CN1CCC2(CC1)OCCO2,CID665255,,,,,,,,,0.0,,,,,,,,
CC1CCCCC1NC(=O)c1nn(C)c(=O)c2ccccc12,CID3000174,,,0.0,,0.0,,,0.0,,0.0,0.0,,,,,,
Cn1nc(C(=O)NC2CCCCC2)c2ccccc2c1=O,CID971055,,0.0,0.0,0.0,,0.0,,,0.0,,,,,,,,
CC1CCCC(NC(=O)c2n[nH]c(=O)c3ccccc23)C1C,CID3235593,,,,0.0,0.0,0.0,,0.0,,0.0,,0.0,,,,,0.0
CCCc1nc2oc3c(N4CCNCC4)ncnc3c2c2c1CCCC2,CID666618,,0.0,0.0,,,,,0.0,,,,,0.0,,,,
CC(C)Cc1nc2oc3c(N4CCN(CCO)CC4)ncnc3c2c2c1CCCC2,CID666032,,,0.0,,,,,,,,0.0,,,,,,
CC(C)Cc1nc2oc3c(N4CCN(C)CC4)ncnc3c2c2c1CCCC2,CID667253,,,0.0,,,,,,,,,,,,,,
COc1cc(C2CC(=O)c3cnc(N4CCN(Cc5ccccc5)CC4)nc3C2)cc(OC)c1OC,CID666615,0.0,,,,,,,,0.0,,,,,,,,0.0
COc1ccc(C2CC(=O)c3cnc(N4CCN(Cc5ccccc5)CC4)nc3C2)cc1,CID665593,0.0,0.0,0.0,0.0,,,0.0,,,,,0.0,0.0,,,,0.0
COc1ccc(C2CC(=O)c3c(C)nc(N4CCN(Cc5ccccc5)CC4)nc3C2)cc1OC,CID666227,0.0,,0.0,,,0.0,,,,,0.0,0.0,0.0,,,,0.0
O=C(CS(=O)(=O)c1c[nH]c2ccccc12)NC1CCCCC1,CID751481,,,,,,,,,0.0,,,,,,,,
Cn1cc(S(=O)(=O)CC(=O)NC2CCCCC2)c2ccccc21,CID751496,0.0,0.0,0.0,,,,0.0,0.0,,,0.0,,,,,,0.0
CCn1cc(S(=O)(=O)CC(=O)NC2CCCCC2)c2ccccc21,CID751500,,,,,,,0.0,,,,,0.0,,,,,
CCn1c(NCc2ccco2)nc2c1c(=O)n(C)c(=O)n2C,CID663774,,,0.0,0.0,,,,0.0,0.0,,,,,,,,
Cn1c(=O)c2c(nc(NCc3ccco3)n2C)n(C)c1=O,CID846282,,0.0,,0.0,,,,,,,,,,,,,
Cn1c(=O)c2c(nc(NCc3ccco3)n2CC(O)CO)n(C)c1=O,CID3144857,,,,,,,,,,,,,,0.0,,,
COc1ccccc1NC(=O)CSc1nc(C)c2c(c1C#N)CCCC2,CID1050215,,,,,,,,,,,0.0,0.0,,,,,
CCOc1cccc(NC(=O)CSc2nc(C)c3c(c2C#N)CCCC3)c1,CID1541054,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC(=O)CSc2nc(C)c3c(c2C#N)CCCC3)cc1,CID1541053,,,,,,,,,,,0.0,0.0,,,,,
Cc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCC3)cc1,CID1820000,,,,,,,,,,,,,,0.0,,,
Cc1cccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCC3)c1,CID1092078,,,,,,,,,,,,,,0.0,,,
N#Cc1c(NC(=O)COC(=O)c2ccc(F)cc2)sc2c1CCC2,CID734299,,,,,,,,,,,,0.0,,,,,
Cc1ccc(C(C)C)c(OCCNc2nc3c(c(=O)n(C)c(=O)n3C)n2C)c1,CID659523,0.0,,,0.0,,0.0,,,,,,,,,,,
Cc1cccc(OCCNc2nc3c(c(=O)n(C)c(=O)n3C)n2C)c1,CID3000087,,,0.0,,,,,,,,,,,,,,
Cn1c(=O)c2c(nc(NCCOc3ccc(F)cc3)n2C)n(C)c1=O,CID2888647,,,,,,,,,,,,,,0.0,,,
CCn1c(SCC(=O)Nc2nc3ccccc3s2)nc2c(c1=O)SC(C)C2,CID3238257,,,,,0.0,0.0,,,0.0,0.0,,,,,,,
Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3C)SC(C)C4)sc2c1,CID3244448,,,,,,,,,,,0.0,,,,,,
CCn1c(SCC(=O)Nc2nc3ccc(C)cc3s2)nc2c(c1=O)SC(C)C2,CID3241034,,,,,0.0,0.0,,,0.0,,,,,,,,
COC(=O)c1ccc(CSc2nc(C)nc3sc(C)c(C)c23)o1,CID2571463,,,0.0,,0.0,,0.0,,,0.0,,,,,,,0.0
Cc1sc2ncnc(SCc3ccco3)c2c1C,CID717861,,,,,0.0,,,,,0.0,,,0.0,0.0,,,
COC(=O)c1ccc(CSc2ncnc3sc(C)c(C)c23)o1,CID2612441,,,,,,,0.0,,0.0,0.0,,,,0.0,,0.0,
Cc1ccccc1NC(=O)C(C)O/N=C/c1cccc([N+](=O)[O-])c1,CID3545566,,,,,,0.0,,,,,,,,,,,
N#CCCN(C(=O)CO/N=C/c1cccc([N+](=O)[O-])c1)c1ccccc1,CID2416793,,,,,,,,,,,,,,,0.0,,
CN(C(=O)CO/N=C/c1ccc(Cl)cc1)c1ccccc1,CID2430212,,,,,,,,,,,,,,0.0,,,
CC1C(C(=O)N(C=O)c2ccccc2)C2C=CC1C21CC1,CID2884730,,,,,,0.0,,,,,,,,,,,
Cc1cccc(NC(=O)C2C(C(=O)O)C3C=CC2C32CC2)c1C,CID3105144,,,,,,0.0,,,,0.0,,,,,,,
Cc1ccc(NC(=O)C2C(C(=O)O)C3C=CC2C32CC2)cc1,CID3105143,,,,,,,,,,0.0,,0.0,,,,,
CCc1c(O)n(-c2ccccc2)c(SCC(=O)N2CCOCC2)nc1=O,CID1379047,,0.0,,,,,,0.0,,0.0,,,0.0,0.0,,0.0,0.0
CCCCc1c(O)n(-c2ccccc2C)c(SCC(=O)N2CCOCC2)nc1=O,CID658995,,,,,0.0,,,,,,0.0,,,,,,0.0
Cc1ccccc1-n1c(O)cc(=O)nc1SCC(=O)N1CCOCC1,CID1379029,,,,0.0,,,,,,,,,,0.0,,0.0,0.0
O=C(CCSc1ccc(Cl)cc1)Nc1cccnc1,CID883013,,,,,,,,,,,,,,0.0,,,
Cc1ccc(SCCC(=O)Nc2cccnc2)cc1,CID951563,,,,,,,,,,,,,,,0.0,,
O=C(CCSc1ccc(Br)cc1)Nc1cccnc1,CID2351321,,,,,,,,,,,,,,0.0,0.0,,
COC(=O)c1nn(-c2ccccc2)c(Sc2ccc(C)cc2)c1/C=N/O,CID3598541,,,,,,0.0,,,,,,,,,,,
COC(=O)c1nn(-c2ccccc2)c(Sc2ccc(Cl)cc2)c1/C=N/O,CID3330375,,,,,,,,,,,,,,0.0,,,
COC(=O)c1nn(-c2ccccc2)c(Sc2ccc(OC)cc2)c1/C=N/O,CID3446422,,,,,,0.0,,,,,,,,,,,
O=C(NCc1ccc2c(c1)OCO2)c1ccc(Cl)nc1,CID2483202,,,,,,,,,,,,,,0.0,,,
CC(NC(=O)c1cccnc1)c1ccc2c(c1)OCO2,CID2970366,,,0.0,,,,,0.0,,,,,0.0,,,,
O=C(NCc1ccc2c(c1)OCO2)c1cccnc1,CID655540,0.0,,,,,0.0,,,,,,0.0,0.0,,,0.0,
COc1cc(-c2nnc(SCC(=O)N3c4ccccc4Sc4ccccc43)o2)cc(OC)c1OC,CID1074050,,,,,,,,,,,0.0,,,,,,
COc1cc(OC)cc(-c2nnc(SCC(=O)N3c4ccccc4Sc4ccccc43)o2)c1,CID1074047,,,,,,,0.0,,,,0.0,,,,,,
COc1ccc(-c2nnc(SCC(=O)N3c4ccccc4Sc4ccccc43)o2)cc1,CID1073181,,,,,,,,,,,0.0,,,0.0,,,
Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCc3ccccn3)ccc2Cl)c1,CID2224614,,,,,,,,,,,,0.0,,,,,
Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccccn3)ccc2Cl)cc1C,CID2238869,,,,,,0.0,,,,,,0.0,,,,,
Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccccn3)ccc2Cl)cc1,CID2238533,,,,,,0.0,,,,,,0.0,,,,,
O=C(c1ccccc1Sc1ccc([N+](=O)[O-])cc1Cl)N1CCOCC1,CID1313981,,,,,,,,,,,,,,,0.0,,
N#Cc1ccccc1Sc1ccccc1C(=O)N1CCOCC1,CID760806,,,0.0,0.0,0.0,,0.0,,0.0,0.0,0.0,0.0,0.0,0.0,,,0.0
O=C(c1ccccc1Sc1c(Cl)cccc1[N+](=O)[O-])N1CCOCC1,CID1297406,,,,,,,,,,,,,,,0.0,,
O=C(NC1CCN(C(=O)N2c3ccccc3Sc3ccccc32)CC1)c1ccccc1Cl,CID3218495,,,,,,,,,,,,0.0,,,,,
O=C(NC1CCN(C(=O)N2c3ccccc3Sc3ccccc32)CC1)c1ccccc1F,CID3218494,,,,,,0.0,,,,,,,,,,,
COc1cc(OC)cc(C(=O)NC2CCN(C(=O)N3c4ccccc4Sc4ccccc43)CC2)c1,CID3218496,,,,,,0.0,,,,,,,,,,,
CCOc1c(Br)cc(CNc2ccc3c(c2)OCCO3)cc1OC,CID979677,,,,,,,,,,,,0.0,,,,,
CCOc1cc(CNc2ccc3c(c2)OCCO3)cc(Br)c1OCC,CID979678,,,,,,,,,,,,,,,0.0,,
CCOc1cc(CNc2ccc3c(c2)OCCO3)cc(Br)c1OC,CID979681,,,,,,,,,,,,0.0,,,,,
CCCCn1c(N)c(-c2nc3ccccc3s2)c2c([N+](=O)[O-])nn(CC)c(=O)c21,CID3570593,,,,,,,,,,,0.0,,,,,,
CCCCCn1c(N)c(-c2nc3ccccc3s2)c2c([N+](=O)[O-])nn(CC)c(=O)c21,CID3583854,,,,,,,,,,,,0.0,,,,,
CCCCCn1c(N)c(-c2nc3ccccc3s2)c2c([N+](=O)[O-])nn(C)c(=O)c21,CID3570314,,,,,,,,,,,0.0,,,,0.0,,
CCOc1ccccc1C(=O)N(Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3,CID1467344,,,,,,,,,0.0,,,,,,,,
COc1ccc(C(=O)N(Cc2ccccc2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1,CID1467343,,,,,,,,,0.0,,,,,,,,
COc1cccc(C(=O)N(Cc2ccccc2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)c1,CID1467342,,,,,,,,,0.0,,,,,,,,
CCOC(=O)N1CCN(C(=O)C2CCN(Cc3nc(-c4ccccc4C)oc3C)CC2)CC1,CID5307746,0.0,,,,,,,0.0,,,,,,,,,
CCN1CCN(C(=O)C2CCN(Cc3nc(-c4cccc(Cl)c4)oc3C)CC2)CC1,CID5309851,,,,,,0.0,,,,,0.0,,,,,,0.0
CCN1CCN(C(=O)C2CCN(Cc3nc(-c4ccc(Cl)cc4)oc3C)CC2)CC1,CID5308321,0.0,0.0,,,,,,,,,,,,,,,
COc1ccc(CNC(=O)COC(=O)c2ccc3c(c2)OCCO3)cc1,CID2998878,,,,0.0,,,,,,,,,0.0,,,0.0,
CC(C)N(Cc1ccccc1)C(=O)COC(=O)c1ccc2c(c1)OCCO2,CID2416901,,,0.0,,,,,0.0,,,,,,,0.0,,
O=C(COC(=O)c1ccc2c(c1)OCCO2)NCc1ccccc1,CID2998520,,,,,,,,0.0,,0.0,,,0.0,,,0.0,
CC(=O)CSc1nc2ccc(Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2s1,CID1615233,,0.0,,0.0,,,,,,,,,,,,,
CSc1nc2ccc(Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2s1,CID1018416,,0.0,,,,,0.0,,,,0.0,0.0,0.0,,,0.0,0.0
CCCCSc1nc2ccc(Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2s1,CID1838181,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1c(-c2ccsc2)csc1N,CID645868,,,,,,,0.0,,,0.0,0.0,0.0,0.0,,,,
Cc1scc(C(=O)O)c1-c1c(C(=O)O)csc1C,CID901546,,,,,,,,,,,,,,0.0,0.0,,
Cc1csc(C(=O)O)c1-c1c(C)csc1C(=O)O,CID901547,,,,,,,,,,,,,,,0.0,,
Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)NCc1ccccc1,CID5308342,0.0,0.0,,,,,,,,,,,,,,0.0,
Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)NCc1ccccc1Cl,CID5307259,,0.0,,,,,,,,,,,,,,,
Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)NCc1ccc(F)cc1,CID5308517,,0.0,,,,,,,,0.0,,,,,,,
O=S(=O)(c1ccc(Cl)s1)N1CCN(c2ncccn2)CC1,CID893258,,,,,,,0.0,,0.0,,,,,,,0.0,
O=S(=O)(c1ccc(Br)s1)N1CCN(c2ncccn2)CC1,CID1314152,,,,,,,,,0.0,,,,,,,,
O=S(=O)(c1cccs1)N1CCN(c2ncccn2)CC1,CID738338,0.0,,,,0.0,,0.0,,0.0,,,,,0.0,,,
COc1ccccc1NC(=O)CSc1nc2ccccc2cc1Cc1ccccc1,CID3206683,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC(=O)CSc2nc3ccccc3cc2Cc2ccccc2)cc1,CID3206680,,,,,,0.0,,,,,,,,,,,
COc1cc(NC(=O)CSc2nc3ccccc3cc2Cc2ccccc2)cc(OC)c1,CID1440330,,,,,,0.0,,,,,,,,,,,
N#CC(c1ccccc1)c1ccc(C(=O)c2ccc(F)cc2)cc1,CID2774429,,,,,,,,,,0.0,,,,0.0,,,
Cc1ccc(C(C#N)c2ccc(C(=O)c3ccc(F)cc3)cc2)cc1,CID2774427,,,,,,0.0,,,,,0.0,,,,,,
N#CC(c1ccc(F)cc1)c1ccc(C(=O)c2ccc(F)cc2)cc1,CID2774422,,,,,,,,,,,,0.0,,,,,
COCCn1c(SCC(=O)N2CCc3ccccc32)nc2c(c1=O)SC(C)C2,CID5020464,0.0,,0.0,,0.0,,,,,,,,,,,,
CCn1c(SCC(=O)N2CCc3ccccc32)nc2c(c1=O)SC(C)C2,CID4094092,0.0,,0.0,,,,,,,,,,,,,,
CC1Cc2nc(SCC(=O)N3CCc4ccccc43)n(C)c(=O)c2S1,CID3236153,0.0,,,,,,,,,,0.0,,,,,0.0,
CC(C)(C)NC(=O)Cn1nnc(-c2cccs2)n1,CID1266316,,0.0,,,,,,,,,0.0,,,0.0,,,0.0
O=C(O)CCn1nnc(-c2cccs2)n1,CID649878,0.0,,,,,,,,,,,,0.0,,,,
COC(=O)CCn1nnc(-c2cccs2)n1,CID650131,,,,0.0,,,,,,,,,,,,,
CCn1c(COc2cccc(C)c2)nnc1SCC(=O)N1CCCC1,CID649346,,0.0,,0.0,,0.0,,,,,,,,,,0.0,0.0
CCn1c(COc2ccc(Cl)c(C)c2)nnc1SCC(=O)N1CCCC1,CID647076,,,,0.0,0.0,0.0,,,,,,0.0,0.0,,,,0.0
Cc1cccc(OCc2nnc(SCC(=O)N3CCCC3)n2C)c1,CID654830,0.0,0.0,,0.0,0.0,,,,,,0.0,,0.0,,,0.0,
Cc1cc2oc(=O)cc(CN3CCN(C/C=C/c4ccccc4)CC3)c2cc1O,CID1944951,0.0,,0.0,0.0,,,,,,,,0.0,,,,,0.0
Cc1cc(C)c2c(CN3CCN(C/C=C/c4ccccc4)CC3)cc(=O)oc2c1,CID2033004,,,0.0,,,0.0,,,0.0,,,0.0,0.0,,,,
O=c1cc(CN2CCN(C/C=C/c3ccccc3)CC2)c2cc(O)ccc2o1,CID2036508,0.0,0.0,,0.0,,,,,0.0,,,0.0,,,,0.0,0.0
COc1ccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c(OC)c1,CID1068515,,,,,,,,,,0.0,,,,,,,0.0
CCOc1ccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1,CID1113670,,,,,,,,,,0.0,,,,,0.0,,
c1ccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1,CID744464,,,,,,0.0,,,,,,,,,,,
Cc1ccccc1Cc1c(C)nc2ncnn2c1C,CID3237260,,0.0,,,,0.0,,,,,,,0.0,,,,
Cc1nc2ncnn2c(C)c1Cc1ccc(Cl)cc1,CID5133136,,,,,,,,,,,0.0,,,,,,
Cc1nc2ncnn2c(C)c1Cc1ccc(Cl)cc1F,CID5220437,0.0,0.0,,,,,,,,,,,,,,,
CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(c2cc(C)ccn2)CC1,CID986236,,,,,,0.0,,,,,,,,,,,
Cc1cc(N2CCN(c3ccccn3)CC2)n2c(nc3ccccc32)c1C#N,CID646520,,,,,,0.0,,,,,,0.0,,,,,
Cc1ccnc(N2CCN(c3cc(C)c(C#N)c4nc5ccccc5n34)CC2)c1,CID660796,,,,,,,,,0.0,,,,,,,,
Cc1ccccc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1,CID614339,,,,,,,,,,,0.0,,,0.0,,,
N#CCc1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1,CID1251485,,0.0,,0.0,,,,0.0,,,,,,,,,0.0
COc1ccc(OC)c(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1,CID658276,,0.0,,,,,,0.0,,,,,,,,,
CN1OC(COC(=O)c2ccc(Cl)cc2)CC1c1ccccc1,CID3818325,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)OCC2CC(c3ccccc3)N(C)O2)cc1,CID4261341,,,,,,0.0,,,,,,,,,,,
CN1OC(COC(=O)c2ccccc2)CC1c1ccccc1,CID3660797,,,,,,,,,,,,0.0,,0.0,,,
CC(C)Cc1nnc(NC(=O)CSc2ncn[nH]2)s1,CID975703,,0.0,,,,,,,,0.0,,,,,,,
CCCc1nnc(NC(=O)CSc2ncn[nH]2)s1,CID2258276,,,,,,,0.0,,,0.0,,,,,,,
CC(C)c1nnc(NC(=O)CSc2ncn[nH]2)s1,CID767229,,0.0,,,,,0.0,,,,,,0.0,,,,
COc1cccc(OC)c1C1=NCC(=O)Nc2c1oc1ccc(Br)cc21,CID5309267,0.0,,,,,,,,,,,,,,,0.0,
O=C1CN=C(c2ccc(Br)cc2)c2oc3ccccc3c2N1,CID1503545,,,,,,,,,,,,0.0,,,,,
O=C1CN=C(c2ccccc2)c2oc3ccc(Br)cc3c2N1,CID649958,0.0,,,,,,0.0,,0.0,,,0.0,,,,,0.0
CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2c3ccccc3CC2C)c1C,CID2998126,,,0.0,,,,0.0,0.0,,,,,,,,0.0,
CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2CCc3ccccc32)c1C,CID2122744,,,,,,,,,0.0,,,,,,,,
CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2CCc3ccccc32)c1C,CID2089757,,,,0.0,,,0.0,,,,0.0,,,,,,
COc1ccc(CN2CCC(=O)NC2=O)cc1,CID148737,,,,,,,,,0.0,0.0,,,,,,,
CCOc1ccc(CN2CCC(=O)NC2=O)cc1,CID150653,,,0.0,0.0,,,,,,0.0,,,,,,0.0,
CC1C(Br)C(=O)NC(=O)N1Cc1ccccc1,CID243064,,,,,,,,,,,,,,,0.0,,
Cc1ccc(-c2nnc(SCC#CCOC(=O)c3ccco3)o2)cc1,CID2927566,,,,,,,,,,0.0,,,,,0.0,,
O=C(OCC#CCSc1nnc(-c2ccc(Br)cc2)o1)c1ccco1,CID3241175,,,,,,,0.0,,0.0,,0.0,,,,,,0.0
O=C(OCC#CCSc1nnc(-c2ccccc2)o1)c1ccco1,CID645902,0.0,,0.0,,,,,0.0,,0.0,,,0.0,0.0,,0.0,
COc1ccc(-c2cc(-c3cccs3)c(C#N)c(SCC(=O)NCc3ccccc3OC)n2)cc1,CID1004498,,,,,,0.0,,,,,,0.0,,,,,
COc1ccc(-c2cc(-c3cccs3)c(C#N)c(SCC(=O)NCc3ccccc3)n2)cc1,CID1004501,,,,,,,,,,0.0,0.0,,,,,,
COc1ccc(CNC(=O)CSc2nc(-c3ccccc3)cc(-c3cccs3)c2C#N)cc1,CID1773219,,,,,,0.0,,,,,,,,,,,
CC(C)OC(=O)CSc1nc(Cc2cccs2)nc2ccccc12,CID1442698,,,,,,,,,,,,,,0.0,0.0,,
CC(C)NC(=O)CSc1nc(Cc2cccs2)nc2ccccc12,CID1442690,,,,,,,,,,,,,,,0.0,,
CCOC(=O)CNC(=O)CSc1nc(Cc2cccs2)nc2ccccc12,CID3221484,,,,,,0.0,,,,,,,,,,,
Cc1ccccc1NC(=O)CC1SC(NC2CCCCC2)=NC1=O,CID3245903,,,0.0,,0.0,,,,,,,,,,,,
O=C(CC1SC(NC2CCCCC2)=NC1=O)Nc1ccccc1,CID656101,,,,,0.0,,,,,,,,,,,,
Cc1cccc(NC(=O)CC2SC(NC3CCCCC3)=NC2=O)c1,CID3243975,,,,,0.0,,0.0,,0.0,,,,,,,0.0,
COc1cccc(-n2cnc(=O)c3cccnc32)c1,CID901917,,,,,,,,,,,,,,0.0,,,
Cc1ccc(-n2cnc(=O)c3cccnc32)cc1,CID1214455,,,,,,0.0,,,,,,,,,0.0,,
O=c1ncn(-c2ccccc2F)c2ncccc12,CID901923,,,,,,,,,,,,,,,0.0,,
COc1cccc(C(=O)Oc2ccc3c(C)cc(=O)oc3c2C(C)=O)c1,CID1042853,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)Oc2ccc3c(C)cc(=O)oc3c2C(C)=O)cc1,CID1185329,,,,,,,,,,,,,,0.0,,,
Cc1cc(=O)oc2cc(OC(=O)c3ccccc3)ccc12,CID827944,,,,,,,,,,,,,,0.0,,,
CC1=C(C(=O)Nc2ccc(Cl)cc2)C(c2ccco2)NC(=O)N1,CID645758,0.0,,,,,,,,,,,,,,,0.0,0.0
CC1=C(C(=O)Nc2ccccc2)C(c2ccco2)NC(=O)N1,CID3101096,,,,,,,,,,,0.0,,,,,,
CC1=C(C(=O)Nc2ccc(Br)cc2)C(c2ccco2)NC(=O)N1,CID2847910,,,,,,,,,0.0,,,0.0,,,,,
CCCCc1nc(NCC2CCCO2)c(C#N)c2c1COC(C)(C)C2,CID658542,,,0.0,,0.0,,,,,,,,,,,,
CCc1nc(NCC2CCCO2)c(C#N)c2c1COC(C)(C)C2,CID658680,,,,,0.0,,,,,,,,,,,,
CC(C)c1nc(NCC2CCCO2)c(C#N)c2c1COC(C)(C)C2,CID658465,,,,,0.0,,,,,,,,0.0,,,,
O=C(CSc1ccccn1)Nc1nc2ccccc2s1,CID828855,,,,,,,,,,,,,,,0.0,,
O=C(CSc1ccccn1)Nc1nc2ccc(Br)cc2s1,CID1235801,,,,,,,,,,,,0.0,,,,,
Cc1ccc2sc(NC(=O)CSc3nc(C)cc(C)c3C#N)nc2c1,CID3140438,,,,,,0.0,,,,,,,,,,,
COCCN1C(=O)c2ccccc2C(C(=O)NCc2ccco2)C1c1c[nH]c2ccccc12,CID3236576,,,,,0.0,0.0,,0.0,,,,,,,,,
Cc1ccc(CNC(=O)C2c3ccccc3C(=O)N(C)C2c2c[nH]c3ccccc23)o1,CID3236965,,,0.0,,,,,,,,,0.0,,,,,0.0
CN1C(=O)c2ccccc2C(C(=O)NCc2ccco2)C1c1c[nH]c2ccccc12,CID3238344,,,,,,,0.0,0.0,,,,0.0,,,,,0.0
COc1ccc(OC)c(NC(=O)CCNS(=O)(=O)c2cccs2)c1,CID3239734,,,0.0,,0.0,,,,,,,,0.0,,,0.0,
CCOc1ccc(NC(=O)CCNS(=O)(=O)c2cccs2)cc1,CID9551484,,,,,,,,,,0.0,,,,0.0,,,
O=C(CCNS(=O)(=O)c1ccc(Br)s1)Nc1ccc(Cl)cc1,CID9550299,,,,,,,,,0.0,,,,,,,,
CC(=O)c1cccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2cccc3nonc23)c1,CID3240377,,,0.0,,,,,,0.0,,,,,,,,0.0
Cc1ccc(N(CC(=O)Nc2cc(C)cc(C)c2)S(=O)(=O)c2cccc3nonc23)cc1,CID9550545,,,,,,,,,,0.0,0.0,,,,,,
Cc1ccc(N(CC(=O)Nc2cccc(C)c2)S(=O)(=O)c2cccc3nonc23)cc1,CID3243187,,,0.0,,,,0.0,,0.0,,,,,,,0.0,0.0
CCOC(=O)CC1=Nc2ccccc2NC(=O)C1,CID664824,,,,,,,,0.0,,0.0,,,,,,0.0,
COC(=O)CC1=Nc2ccccc2NC(=O)C1,CID939250,,0.0,0.0,0.0,,,,0.0,,,,0.0,,,,,
Cc1cc2c(cc1C)NC(=O)CC(C(F)(F)C(F)(F)C(F)(F)F)=N2,CID4419925,,,,,,,,,0.0,,,,,,,,
Cn1c(C(=O)NCc2cccnc2)cc2sccc21,CID655738,,0.0,,,,,,,,,0.0,,0.0,,,,
Cn1c(C(=O)NCc2cccnc2)cc2sc(Cl)cc21,CID3245976,0.0,0.0,,,0.0,,,,,,,,,,,,
CCn1c(C(=O)NCc2cccnc2)cc2sc(Cl)cc21,CID3244102,0.0,0.0,0.0,,0.0,,,,,,,,,,,,0.0
CCN(CC)c1nc(Nc2ccccc2)nc(Oc2ccc(C(=O)OC)cc2)n1,CID2204815,,,,,,,,,,,0.0,0.0,,,,,
COC(=O)c1ccc(Oc2nc(Nc3ccccc3)nc(N(C)C)n2)cc1,CID2208905,,0.0,0.0,,,,,0.0,,,0.0,0.0,,,,,
COC(=O)c1ccc(Oc2nc(Nc3ccc(C)c(C)c3)nc(N(C)C)n2)cc1,CID2234525,,,,,,,,,,,0.0,,,,0.0,,
CS(=O)(=O)N(CCc1ccccc1)CC(=O)NCc1ccccc1Cl,CID2226185,,,,,,,,,,,,,,,0.0,,
CS(=O)(=O)N(CCc1ccccc1)CC(=O)NCc1ccccc1,CID963787,,,,,,,,,,,,,,0.0,,,
CS(=O)(=O)N(CCc1ccccc1)CC(=O)NCc1ccc(Cl)cc1,CID2236999,,,,,,,,,,,,,,0.0,,,
O=C(CCCOc1ccccc1)N1CCN(c2ccc(F)cc2)CC1,CID2286724,,,,,,,,,,0.0,,,,,,,
O=C(CCCOc1ccccc1)N1CCN(c2ccccc2)CC1,CID2290599,,,,,,,,,,0.0,,0.0,,,,,
Cc1cccc(N2CCN(C(=O)CCCOc3ccccc3)CC2)c1C,CID2164014,,,,,,,0.0,,,,,0.0,,,,,
CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1ccc(C)o1,CID651363,,,,,,,,,0.0,,,,,,,,
CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)C1c1ccc(C)o1,CID661564,,,,0.0,,,,,0.0,,,,,,,,
CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)C1c1ccco1,CID2926035,,0.0,,0.0,,,,,0.0,,,,,,,,
COc1ccccc1NC(=O)Nc1ccc2c(c1)OCCO2,CID897852,,,,,,,0.0,,,,,0.0,0.0,,,,
CCOC(=O)c1ccc(NC(=O)Nc2ccc3c(c2)OCCO3)cc1,CID970473,0.0,0.0,,0.0,,,,,0.0,,0.0,,,,,,
CC(=O)c1cc2c(cc1NC(=O)Nc1cccc(Cl)c1)OCCO2,CID1263850,0.0,0.0,,0.0,,,0.0,,,0.0,0.0,,0.0,,,,0.0
COC(=O)c1ccc2c(c1)N(Cc1nc(-c3cccc(C)c3)oc1C)C(=O)C1CCCN21,CID5309602,,,0.0,,1.0,0.0,,,,,0.0,,,,,,
COC(=O)c1ccc2c(c1)N(Cc1nc(-c3ccc(Cl)cc3)oc1C)C(=O)C1CCCN21,CID3242376,0.0,,,,,,,,,,,,,,,,
COC(=O)c1ccc2c(c1)N(Cc1nc(-c3cccc(Cl)c3)oc1C)C(=O)C1CCCN21,CID3241791,0.0,,,,0.0,,,,,,,,,,,,
CC(C)(C)NC(=O)NC(=O)CSc1nnc2ccccn12,CID2613262,,,,,,,,,0.0,0.0,,0.0,,,,,
CCSc1nnc2c(Cl)cc(Cl)cn12,CID1952067,,,,,,,,,,,,0.0,,,,,
CC(C)CCNC(=O)NC(=O)CSc1nnc2ccccn12,CID2622635,,0.0,,0.0,,,,,0.0,,,,0.0,,,,
CC(C)c1nc(SCc2ccccn2)c2c(=O)n(C)c(=O)n(C)c2n1,CID5310031,,0.0,,,,,,,,0.0,,,,,,,
CCCc1nc(SCc2ccccn2)c2c(=O)n(C)c(=O)n(C)c2n1,CID5310518,,,0.0,,,,,,,,,,0.0,,,,
CCc1nc(SCc2ccccn2)c2c(=O)n(C)c(=O)n(C)c2n1,CID5310317,,,,,,,,,,,,,,,,,0.0
O=C(NCc1cccnc1)c1cccc(S(=O)(=O)N2CCOCC2)c1,CID1107132,,,0.0,0.0,,,,0.0,,,,,0.0,0.0,,,
COc1ccc(C(=O)NCc2cccnc2)cc1S(=O)(=O)N1CCOCC1,CID1309905,,,,,,,,0.0,,,,,0.0,,,0.0,
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1cccnc1,CID2097535,,,,,,,,,,,,,,0.0,,,
O=S(=O)(NCC(c1ccccc1)N1CCNCC1)c1ccc(Cl)cc1,CID2831759,0.0,0.0,,0.0,0.0,,,,,,,0.0,,,,0.0,0.0
Cc1ccc(S(=O)(=O)NCC(c2ccccc2)N2CCN(CCC#N)CC2)cc1,CID2867697,,,0.0,,,,,,,,,,,,,,
N#CCCN1CCN(C(CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)CC1,CID2866329,0.0,,,0.0,0.0,0.0,,,0.0,,0.0,,,,,0.0,0.0
Cn1nc(C(=O)NCCN2CCOCC2)c2ccccc2c1=O,CID971523,,0.0,,0.0,,,,,,,,,,,,,
CCCn1nc(C(=O)NCC(C)(C)N2CCOCC2)c2ccccc2c1=O,CID2453312,,,,,,,,,,,,,,,0.0,,
CCCn1nc(C(=O)NCCN2CCOCC2)c2ccccc2c1=O,CID2098570,,0.0,,,,,0.0,0.0,,,,,0.0,,,,
O=C1CC(c2ccccc2)c2c(O)cc(O)cc2O1,CID3791197,,,,,,,,,,,0.0,,,,,,
O=C1CC(c2ccccc2)c2ccc(O)cc2O1,CID235110,,,,,,,,,0.0,,0.0,,,,0.0,,
Cc1ccc2c(c1)OC(=O)CC2c1ccccc1,CID2902827,,,,,,,,,0.0,,0.0,,,0.0,,,
OC(COc1ccc2ccccc2c1)Cn1cncn1,CID2962049,,,,,,,,,0.0,0.0,,,,,,,
Cc1nc(C)n(CC(O)COc2ccc3cc(Br)ccc3c2)n1,CID2957973,,,,,,,,,0.0,,0.0,0.0,,,,,0.0
Cc1nc(C)n(CC(O)COc2ccc3ccccc3c2)n1,CID2956716,,0.0,0.0,0.0,0.0,,,0.0,0.0,0.0,,,0.0,,,,
Cc1cc(C)nc(-n2nc(C)cc2Nc2ccccc2)n1,CID867936,0.0,,0.0,0.0,,,,,,,,0.0,,,,,
Cc1cc(C)nc(-n2nc(C)c(Br)c2Nc2ccc(Br)cc2)n1,CID2356943,,,,,,,,,,,,0.0,,,,,
Cc1ccc(Nc2cc(C)nn2-c2nc(C)cc(C)n2)cc1,CID2408834,,,,,,,,0.0,,,,0.0,,,,,
COc1cccc2cc(C(=O)n3ccc(C)n3)c(=O)oc12,CID974754,,,0.0,,,,0.0,,,,,,,,,,
Cc1ccn(C(=O)c2cc3ccccc3oc2=O)n1,CID1652556,,,,,,0.0,,,,,0.0,,,,0.0,,
COc1ccc2oc(=O)c(C(=O)n3ccc(C)n3)cc2c1,CID2146209,,,,,,,,,,,,,,,0.0,,
O=S(=O)(c1ccccc1)N1CCC(N2CCN(c3ccccc3)CC2)CC1,CID660684,0.0,,0.0,,,,,,,,,,,,,,0.0
COc1ccc(S(=O)(=O)N2CCC(N3CCN(c4ccccc4)CC3)CC2)cc1,CID1530410,,,,,,,,,,,0.0,,,,,,
O=S(=O)(c1ccc(F)cc1)N1CCC(N2CCN(c3ccccc3)CC2)CC1,CID1333953,,,,0.0,,,0.0,,,,0.0,,0.0,,,,0.0
CCNC(=O)CC1C(=O)N(c2ccccc2)C(=O)N1Cc1ccc(OC)cc1,CID2984768,,,0.0,,0.0,,,,0.0,,,,,,,,
CCNC(=O)CC1C(=O)N(c2ccc(F)cc2)C(=O)N1Cc1ccc(OC)cc1,CID3236143,,,0.0,,,,,0.0,,,,,,,,,
CCNC(=O)CC1C(=O)N(c2ccc(OC)cc2)C(=O)N1Cc1ccc(OC)cc1,CID3239228,,,,,0.0,,,0.0,0.0,0.0,,,,,,,
O=C(c1ccc2ccccc2c1)N1CCN(c2ccc(O)cc2)CC1,CID2120761,0.0,,,0.0,,0.0,,,,,,0.0,0.0,,,,0.0
O=C(c1ccc2ccccc2c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1,CID2890731,,,,,,0.0,,,,,,,,,,,
O=C(c1ccc2ccccc2c1)N1CCN(c2ccccc2)CC1,CID787692,0.0,,,,,,,0.0,,,,,0.0,,,0.0,
CCN1C(=O)C(Cc2nc3ccccc3c(=O)n2C)c2ccccc21,CID2880275,,,0.0,,0.0,0.0,,0.0,,,,,0.0,,,0.0,
CCCN1C(=O)C(Cc2nc3ccccc3c(=O)n2C)c2ccccc21,CID3132854,,,,,,0.0,,,,,,,,,,,
Cn1c(CC2C(=O)Nc3ccc(Br)cc32)nc2ccccc2c1=O,CID2941849,0.0,,,,,,0.0,,0.0,,0.0,0.0,,,,,0.0
CCCc1nnc(SCC(=O)N2CCCCC2)n1CC1CCCO1,CID3212502,,,,,,,,,,,0.0,,,,,,
CCCc1nnc(SCC(=O)N2C(C)CCCC2C)n1CC1CCCO1,CID3212513,,,,,,,,,,,,0.0,,0.0,,,
CCCc1nnc(SCC(=O)N2CCCCC2C)n1CC1CCCO1,CID3212504,,,,,,0.0,,,,,,0.0,,,,,
CCOC(=O)c1sc(NC(=O)CSc2nc(C)cc(C)c2C#N)c(C#N)c1C,CID1772736,,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1sc(NC(=O)CSc2ccccn2)c(C#N)c1C,CID1086351,,0.0,0.0,,0.0,,0.0,,0.0,0.0,,,,,,,
CCOC(=O)c1c(NC(=O)CSc2nc(C)cc(C)c2C#N)sc(C(C)=O)c1C,CID656126,,0.0,0.0,,0.0,,,,,0.0,,,,,,,
CCN(CC)CCNc1nc(-c2ccco2)c2c(c1C#N)CC(C)(C)OC2,CID663526,,,,0.0,,,,,0.0,,,,,,,,0.0
CN(C)CCNc1nc(-c2ccco2)c2c(c1C#N)CC(C)(C)OC2,CID659325,,0.0,,0.0,,,,,,,,,,,,,
CCCCN(C)c1nc(-c2ccco2)c2c(c1C#N)CC(C)(C)OC2,CID3383442,,,,,0.0,0.0,,,,,,,,,0.0,,
Cn1c(SCC(=O)N2CCCCC2)nc2cccnc21,CID645257,,0.0,,0.0,,,0.0,,0.0,,0.0,,,0.0,,,
COCCn1c(SCC(=O)N2CCCCC2)nc2cccnc21,CID647725,,0.0,,0.0,,,0.0,0.0,0.0,,,,,,,0.0,0.0
CC1CCN(C(=O)CSc2nc3cccnc3n2C)CC1,CID654244,,,,0.0,,,,,,0.0,0.0,,0.0,,,0.0,
Cc1cc(=O)cc(C)[nH]1,CID83609,,,,,,,,0.0,,,,,,,0.0,,
O=C(O)c1cc(=O)cc(C(=O)O)[nH]1,CID8743,,,,,,,0.0,,,,,0.0,,,,,
CCCCCCCn1ccc(=O)c(CC(=O)OC)c1O,CID3322432,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C(OC(=O)c2ccco2)C(=O)NC2CCCCC2)cc1,CID3220227,,,,,,,,,0.0,,,,,,,,
COc1ccc(C(OC(=O)c2ccco2)C(=O)NC2CCCCC2)cc1OC,CID650571,,,,,,0.0,,,,0.0,0.0,,,0.0,,,
COc1ccccc1C(OC(=O)c1ccco1)C(=O)NC1CCCCC1,CID3220223,,,,,,,,,,,,0.0,,,,,
COc1ccc(C2=N/C(=C/c3ccccc3OC)C(=O)N2c2ccccc2)cc1,CID5348704,,,,,,0.0,,,,,,,,,,,
COc1ccc(C2=N/C(=C/c3ccc(F)cc3)C(=O)N2c2ccc(O)cc2)cc1,CID2269060,,,,,,0.0,,,,,,,,,,,
COc1ccc(C2=N/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(F)cc2)cc1,CID2270577,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)COc2ccccc2C)c1C,CID2094663,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)COc2ccccc2C=O)c1C,CID2399688,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)COc2ccc(OC)cc2)c1C,CID2442685,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1[nH]c2cc3c(cc2c1NC(=O)CN1CCCCC1C)OCO3,CID661690,0.0,,,,,,,0.0,,,,,,,,,0.0
CCOC(=O)c1[nH]c2cc3c(cc2c1NC(=O)CN1CC(C)CC(C)C1)OCO3,CID661694,0.0,,0.0,0.0,,,,0.0,,,,,,,,,0.0
CCOC(=O)c1[nH]c2cc3c(cc2c1NC(=O)CN1CCC(C)CC1)OCO3,CID661655,0.0,,,,,0.0,0.0,,,,,,,,,,
COc1ccc(CC(=O)Nc2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1,CID1230951,0.0,,,0.0,,,,,,0.0,0.0,0.0,,,,,
COc1ccc(CC(=O)Nc2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1OC,CID1301263,0.0,0.0,,,,,,,,,0.0,0.0,,0.0,,,0.0
COc1ccc(CC(=O)Nc2ccc(-c3nnc(-c4ccc(C)cc4)o3)cc2)cc1,CID1294322,0.0,,0.0,,,,,,,0.0,,0.0,,0.0,,,
Cc1ccc(C2SCC(=O)Nc3c2c(=O)[nH]n3C2CCOC(C)(C)C2)cc1,CID2968488,,,,,0.0,,,0.0,,,0.0,,,,,,
CC1(C)CC(n2[nH]c(=O)c3c2NC(=O)CSC3c2ccc(F)cc2)CCO1,CID664993,,,,,,0.0,,,,0.0,,,,,,,0.0
CC1(C)CC(n2[nH]c(=O)c3c2NC(=O)CSC3c2ccccc2)CCO1,CID661120,,,0.0,,0.0,,,0.0,,,0.0,,,,,,
CCOC(=O)N1CCC(NC(=O)C2CCN(C(=O)N3CC(C)Oc4ccccc43)CC2)CC1,CID4228282,,,,,,0.0,,,,0.0,,,,,,,
CCOC(=O)N1CCC(NC(=O)C2CCN(C(=O)N3CCOc4ccccc43)CC2)CC1,CID3240363,,,,,,,,0.0,0.0,,0.0,0.0,,,,,
CCOC(=O)N1CCC(NC(=O)C2CCN(C(=O)N3CC(C)Oc4ccc(C)cc43)CC2)CC1,CID3242600,,0.0,,,,,,,0.0,0.0,,,,,,,0.0
CC(NC(=O)CSc1nnc(CC(=O)Nc2ccc(Cl)c(Cl)c2)n1C)c1ccccc1,CID2956915,,,,,,,,,,,0.0,,,,,,
CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1SCC(=O)NCc1ccccc1,CID2205446,,,0.0,,0.0,,,,,,0.0,,,,,0.0,
COc1cccc(NC(=O)Cc2nnc(SCC(=O)NC(C)c3ccccc3)n2C)c1,CID2958238,,,,,,,,,,,,0.0,,,,,
COc1ccccc1NC(=O)Cn1nnc(-c2ccccc2NC(=O)c2ccco2)n1,CID654743,,,,0.0,,,,,,,,,,,,,
COc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)c3ccco3)n2)cc1,CID653728,,0.0,,0.0,,,0.0,,,,,,,,,,
O=C(Cn1nnc(-c2ccccc2NC(=O)c2ccco2)n1)Nc1ccccc1,CID648033,,0.0,0.0,,,,,,,0.0,,,,,,,0.0
CCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)cc1,CID3235948,,0.0,,,,,,0.0,,,,,,,,0.0,
Cc1cc(C)cc(NC(=O)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)c1,CID3240778,,,,,0.0,0.0,,0.0,,,,,,,,,
CCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2c(C)nn(C)c2C)CC1,CID5309400,,0.0,,,,0.0,0.0,,,,,0.0,,,0.0,,
CC1CCCCN1CCNC(=O)CN1C(=O)COc2ccccc21,CID3243091,,,,,0.0,,,,,,,,,,,,
CCC1Oc2ccc(C)cc2N(CC(=O)NCCN2C(C)CCCC2C)C1=O,CID3245645,,,,,,,,0.0,,,0.0,,,,0.0,,
CCC1Oc2ccccc2N(CC(=O)NCCN2C(C)CCCC2C)C1=O,CID3242122,,,,,0.0,,,,,,,,0.0,,,0.0,
O=C(Nc1sc2c(c1C(=O)O)CCC2)c1ccccc1,CID722255,,,,,,,,,,,,0.0,,0.0,,,
Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)O)CCC2,CID738739,,,,,,,,,,,,,,0.0,,,
N#Cc1c(NC(=O)c2ccccc2)sc2c1CCC2,CID792994,,,,,,0.0,,,,,,0.0,,,,,
COCCn1c(Sc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,CID665926,,,,,,,,0.0,0.0,0.0,0.0,0.0,,,,0.0,0.0
C=CCn1c(Sc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,CID1092001,,,,,,,,,0.0,0.0,,0.0,,,,,
COCCn1c(Sc2ccc(C)cc2)nc2c1c(=O)[nH]c(=O)n2C,CID666285,,,,0.0,,,0.0,,0.0,0.0,,0.0,,,,0.0,0.0
Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)cc12,CID3449007,,,,,0.0,,0.0,0.0,,,,,,,,0.0,
COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)cc12,CID3240721,,,,,0.0,0.0,,,0.0,0.0,,,,,,,
CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCc2cc3c(OC)ccc(OC)c3[nH]c2=O)cc1,CID3237290,,,,0.0,0.0,,,,0.0,,,,0.0,,,,
O=C1OCCC1Sc1nnc(-c2ccccc2)o1,CID2998784,,,,,,0.0,,0.0,,,0.0,,0.0,,,,
O=C1OCCC1Sc1nnc(-c2ccc(Br)cc2)o1,CID2947204,,,,,,,,,,,,,,,,,0.0
O=C1OCCC1Sc1nnc(-c2cccc(Br)c2)o1,CID2962920,,,,,,,,,0.0,,,,,,,,
O=C(Cn1ncc2c3ccccc3n(Cc3ccc(F)cc3)c2c1=O)N1CCC2(CC1)OCCO2,CID3240954,,,,,,,,,,,0.0,0.0,,,0.0,,0.0
O=C(Cn1ncc2c3ccccc3n(Cc3ccccc3F)c2c1=O)N1CCC2(CC1)OCCO2,CID3241635,,,,,,,,,,,0.0,,,,,,
O=C(Cn1ncc2c3ccccc3n(Cc3ccccc3)c2c1=O)N1CCC2(CC1)OCCO2,CID3240757,0.0,,,0.0,,,,,,,,,0.0,,,,
CCOc1ccccc1N(C(=O)c1ccco1)C(C(=O)NC1CCCC1)c1cccnc1,CID651537,0.0,,0.0,,0.0,,,,0.0,0.0,,0.0,,,,,0.0
COc1cccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2cccnc2)c1,CID644897,0.0,,0.0,,0.0,,0.0,,0.0,0.0,0.0,,,,,0.0,0.0
COc1ccccc1N(C(=O)c1ccco1)C(C(=O)NC1CCCC1)c1cccnc1,CID647109,,,,,0.0,,,0.0,0.0,0.0,,,,,,,
CCOc1ccccc1N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1,CID1078371,0.0,0.0,0.0,,0.0,,0.0,,,,,,,,,0.0,0.0
COc1ccccc1N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1,CID2190857,0.0,,,0.0,0.0,,,,,0.0,0.0,,,,,,
COc1ccccc1N1CCN(S(=O)(=O)c2c(C)ccc3nsnc23)CC1,CID2190853,0.0,,0.0,,0.0,,0.0,,,0.0,,,0.0,,,0.0,0.0
CC1(C)Cc2c(sc(NC(=O)c3ccco3)c2C(=O)O)CO1,CID3143083,,,,,,,,,0.0,,,,,,,,
CC1(C)Cc2c(sc(NC(=O)c3ccc(Br)o3)c2C#N)CO1,CID658862,0.0,,,,,,,,0.0,,,,,0.0,,,
CC1(C)Cc2c(sc(NC(=O)c3ccco3)c2C#N)CO1,CID651143,,,,0.0,,,0.0,0.0,,,0.0,0.0,0.0,,,,
Cc1ccc(C)c(-n2nnnc2SCC(=O)c2ccc3c(c2)NC(=O)CO3)c1,CID2120931,,0.0,0.0,0.0,,,,0.0,,,,,,,,,
Cc1ccc(-n2nnnc2SCC(=O)c2ccc3c(c2)NC(=O)CO3)c(C)c1,CID2390644,,,,,,,,,,,,,,0.0,,,
O=C1COc2ccc(C(=O)CSc3nnnn3-c3ccccc3)cc2N1,CID2407781,,,,0.0,,0.0,,0.0,,,0.0,,0.0,,,,
O=C(Oc1cccc(N2C(=O)CCC2=O)c1)C1CC(=O)N(c2ccc(F)cc2)C1,CID2961697,,,,,,,,0.0,,,,,,,,,
Cc1ccc(N2CC(C(=O)Oc3cccc(N4C(=O)CCC4=O)c3)CC2=O)cc1,CID2960983,,,,,,,,0.0,,,,0.0,,,,,
O=C(Oc1cccc(N2C(=O)CCC2=O)c1)C1CC(=O)N(c2ccc(Br)cc2)C1,CID2961570,0.0,,,,,,0.0,,0.0,,0.0,,,,,,
Cc1ccsc1C1Nc2ccc3ncccc3c2C2=C1C(=O)CC(C)(C)C2,CID624107,,,,,,,,,,,,,,0.0,,,
O=C1CCCC2=C1C(c1cccs1)Nc1ccc3ncccc3c12,CID619417,,,,,,,,,,,,,,,0.0,,
Cc1ccsc1C1Nc2ccc3ncccc3c2C2=C1C(=O)CCC2,CID619419,,,,,,,,,,,,1.0,,,,,
CCCc1ccc(-c2cc(C(=O)NN3CCOCC3)c3ccccc3n2)cc1,CID1261365,,,,,,0.0,,,,,,0.0,,,,,
O=C(NN1CCOCC1)c1cc(-c2cccc(Cl)c2)nc2ccccc12,CID1261288,,,,,,0.0,,,,,,,,,,,
O=C(NN1CCOCC1)c1cc(-c2ccccc2)nc2ccccc12,CID871009,,,,,,,,,,,,,,,0.0,,
O=S(=O)(Nc1ccc2nc(-c3ccc(Br)o3)[nH]c2c1)c1ccccc1,CID665063,0.0,,,,,,,,,,0.0,0.0,,,,0.0,
O=S(=O)(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1ccccc1,CID651369,0.0,0.0,,0.0,0.0,0.0,,,,,,,,,,0.0,0.0
Cc1ccc(-c2nc3ccc(NS(=O)(=O)c4ccccc4)cc3[nH]2)o1,CID1088933,,,,,,,,,,,0.0,,,0.0,,,
C=CCn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nnc1C1CCCCC1,CID2125027,0.0,,,0.0,,,0.0,,,,0.0,,0.0,,,,
C=CCn1c(SC(C)C(=O)NCc2ccc3c(c2)OCO3)nnc1C1CCCCC1,CID3000163,0.0,,,0.0,,0.0,0.0,,,,0.0,,,,,,0.0
CC(Sc1nnc(C2CCCCC2)n1N)C(=O)NCc1ccc2c(c1)OCO2,CID2998973,,,,,0.0,,,,,0.0,,,,,,0.0,
Nn1c(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)nnc1-c1cccs1,CID2125024,,,,,,,,,,,,0.0,,,,,
Nn1c(SCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nnc1-c1cccs1,CID2473385,,,,,,,,,0.0,,,0.0,,,,,
CCn1c(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)nnc1-c1cccs1,CID2161195,,,0.0,,0.0,,,,,,,,,,,,
Cc1ccc(C(=O)N/C(=C\c2ccc(Cl)cc2)C(=O)NCC2CCCO2)cc1,CID12005125,,,,,,,,,,,,,,0.0,,,
CC(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCC2CCCO2)cc1,CID2891923,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(=O)N/C(=C\c2ccc(Cl)cc2)C(=O)NCC2CCCO2)cc1,CID2891546,,,,,,0.0,,,,,,,,,,,
COCCN(C(=O)Cn1nnc2ccccc21)C(C(=O)NC1CCCC1)c1ccc(OC)cc1OC,CID3198314,,,,,,,,,,,0.0,,,,,,
COCCN(C(=O)Cn1nnc2ccccc21)C(C(=O)NC1CCCC1)c1cc(OC)ccc1OC,CID650000,0.0,,,,,,0.0,,,,0.0,0.0,,,,0.0,
COCCN(C(=O)Cn1nnc2ccccc21)C(C(=O)NC1CCCC1)c1cccc(OC)c1OC,CID655767,0.0,,,,,0.0,,,,,0.0,,,,,,
O=C(c1cccn2c(=O)c3ccccc3nc12)N1CCC2(CC1)OCCO2,CID4137614,,,,,,,,,,,,0.0,,,,,
O=C(c1cccn2c(=O)c3ccc(Cl)cc3nc12)N1CCC2(CC1)OCCO2,CID4653008,,,,,,0.0,,,,,,,,,,,
O=C(c1cccn2c(=O)c3cc(Cl)ccc3nc12)N1CCC2(CC1)OCCO2,CID4070691,,,,,,0.0,,,,,,,,,,,
COC(=O)Cn1ncn2c(cc3oc(C)cc32)c1=O,CID3244380,,,,,,0.0,,,,,,,,,,,
CCc1n[nH]c(=O)c2cc3occc3n12,CID3242568,,,,0.0,,,,,,,,,,,,,
Cc1n[nH]c(=O)c2cc3occc3n12,CID3240760,,,,,,,,,,,,0.0,,,,,
O=c1c2ccccc2oc2nc(-c3ccco3)n(Cc3ccccc3)c(=O)c12,CID666649,0.0,,,0.0,0.0,,,0.0,0.0,,0.0,,,,,,
COc1ccc(Cn2c(-c3ccco3)nc3oc4ccccc4c(=O)c3c2=O)cc1,CID666523,0.0,,0.0,,0.0,,0.0,0.0,0.0,0.0,,,,,,,
COc1ccc(Cn2c(-c3ccco3)nc3oc4cc(OC)ccc4c(=O)c3c2=O)cc1,CID665980,,,,,,,0.0,0.0,,,,,,,0.0,,
COc1ccc2c(c1)C(=O)CC(c1ccccc1F)O2,CID2927290,,,,,,,,,,,0.0,,0.0,,,0.0,
COc1ccc(C2CC(=O)c3ccccc3O2)cc1,CID102928,,,,,,,,,,,,,,0.0,,,
COc1cc(OC)c2c(c1)OC(c1ccc(OC)c(OC)c1)C(O)C2=O,CID462695,,,0.0,,,,,,,0.0,,,,,,,
CCC(=O)NC(c1ccccc1OC)c1ccc2cccnc2c1O,CID2876575,,,,,,,,,,,,0.0,,,,,
CCCC(=O)NC(c1ccc(Cl)cc1)c1ccc2cccnc2c1O,CID2876611,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(NC(C)=O)c2ccc3cccnc3c2O)c(OC)c1,CID2872121,,,,,,,0.0,,0.0,,,,0.0,,,,
CC1CCCN(c2oc(-c3cccc4ccccc34)nc2C#N)C1,CID663721,,0.0,,0.0,,0.0,,0.0,,,,,,,,,
N#Cc1nc(-c2cccc3ccccc23)oc1N1CCCCC1,CID664328,0.0,0.0,0.0,,,0.0,,,,,,0.0,,,0.0,,
CC1CCN(c2oc(-c3cccc4ccccc34)nc2C#N)CC1,CID663986,0.0,,,,,,0.0,,,0.0,,,,,0.0,,
C=CCc1ccc(OCCOc2cccc(/C=N/n3cnnc3)c2)c(OC)c1,CID2277887,,,,,,,,,,,,0.0,,,,,
C(=N/n1cnnc1)\c1cccc(OCCOc2ccccc2)c1,CID2286001,,,,0.0,,,,0.0,,0.0,,,,,,,
COc1cccc(OCCOc2cccc(/C=N/n3cnnc3)c2)c1,CID2274702,,0.0,0.0,,,,,,,,,,,,,,
O=c1[nH]c2ccccc2n1CCCOc1ccccc1,CID649414,0.0,,,,0.0,0.0,0.0,,,0.0,,0.0,0.0,,,0.0,
Cn1c(=O)n(CCCOc2ccc(Cl)cc2)c2ccccc21,CID2237155,,,0.0,,,,0.0,,,0.0,,,0.0,,,,0.0
Cn1c(=O)n(CCCOc2ccc(Br)cc2)c2ccccc21,CID2219371,,,,,,,0.0,,0.0,,0.0,,,,0.0,0.0,0.0
Cn1c(CC(=O)Nc2ccccc2)nnc1SCCOc1ccccc1,CID2235786,0.0,,0.0,0.0,0.0,,,,0.0,,0.0,,,,,0.0,0.0
CCn1c(CC(=O)Nc2ccc(C)c(Cl)c2)nnc1SCCOc1ccc(OC)cc1,CID2304297,,,,,,,,,,,0.0,0.0,,,,,
COc1cccc(NC(=O)Cc2nnc(SCCOc3ccccc3)n2C)c1,CID2221887,0.0,0.0,,0.0,0.0,,0.0,,,,0.0,,0.0,,,,0.0
O=C(Nc1cccc(F)c1)N1CC=C(n2c(=O)[nH]c3ccccc32)CC1,CID3239571,,0.0,,,,,,,,0.0,,,,,,,0.0
Cc1cccc(C)c1NC(=O)N1CC=C(n2c(=O)[nH]c3ccccc32)CC1,CID3243838,0.0,0.0,,,,0.0,0.0,0.0,,,0.0,,,,,,0.0
CCOc1ccc(NC(=O)N2CC=C(n3c(=O)[nH]c4ccccc43)CC2)cc1,CID3236617,0.0,,0.0,,,,,,,,0.0,,0.0,,,,0.0
Cc1ccc(Cn2ccc(-c3cnc(-c4ccccc4)s3)n2)cc1,CID1476741,,,,,,,,,,0.0,,,,,,,
c1ccc(Cn2ccc(-c3cnc(-c4ccccc4)s3)n2)cc1,CID1476747,,,,,,0.0,,,,,,,,,,,
Fc1ccc(Cn2ccc(-c3cnc(-c4ccccc4)s3)n2)cc1,CID1476746,,,,,,,,,,0.0,,,,,,,
CCC(C)OC(=O)C1C(c2ccccc2)C(C(=O)O)C1c1ccccc1,CID3114052,,,,,,,,,,,0.0,0.0,,,,,
O=C(O)C1C(c2ccccc2)C(C(=O)OCCCO)C1c1ccccc1,CID648815,,,,,,,0.0,0.0,,,,,,,,,
COC(=O)C1C(c2ccccc2)C(C(=O)O)C1c1ccccc1,CID2892282,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1ccc(NC(=O)CC2Sc3ncnn3C2=O)cc1,CID2954695,,,,0.0,,,,0.0,0.0,,,,,,,0.0,
O=C(CC1Sc2ncnn2C1=O)Nc1ccc(Br)cc1,CID2941638,0.0,,,,,,,,0.0,,,,,,,0.0,0.0
COc1ccc(NC(=O)CC2Sc3ncnn3C2=O)cc1,CID3607474,,,,,,,,0.0,,,,0.0,,,,0.0,
C/C(NCc1cccnc1)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O,CID5389501,,,,,,,,0.0,,,,,0.0,,,,
O=C1NC(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/NCc1cccnc1,CID5389757,,,,0.0,,,,0.0,,,,,0.0,,0.0,,
CC/C(NCc1cccnc1)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O,CID5389599,,,,,,0.0,,,,,,,,,,,
COc1ccc(N2C(=O)NC(=O)/C(=C\NC3CC3)C2=O)cc1,CID5389506,,,,,,,,0.0,,,,,0.0,,,,
CC/C(NC1CC1)=C1/C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O,CID5389625,,0.0,,,,,0.0,0.0,,,,,,,,,
COc1ccc(N2C(=O)NC(=O)/C(=C(/C)NC3CC3)C2=O)cc1,CID5389579,,,,,,,0.0,,,0.0,0.0,,0.0,,,,
CCC(NC(=O)Cn1cnc2c(=O)n(C)c(=O)n(C)c21)c1ccccc1,CID2956696,,0.0,,0.0,,,0.0,0.0,,,,,,,,,
COc1ccc(CNC(=O)Cn2cnc3c(=O)n(C)c(=O)n(C)c32)cc1,CID1090694,,,,0.0,,,,,,,,,,,,,
CCc1ccc(C(C)NC(=O)Cn2cnc3c(=O)n(C)c(=O)n(C)c32)cc1,CID4128519,,,,,,,,,,0.0,,,,,,,
CC1CC(C)CN(CCCNC(=O)c2cn(C)c3ccc(S(=O)(=O)N4CCCC4)cc3c2=O)C1,CID3237700,,,,0.0,0.0,,,,,,0.0,,,,,,0.0
CCn1cc(C(=O)NCCCN2CCC(C)CC2)c(=O)c2cc(S(=O)(=O)N3CCCC3)ccc21,CID3236111,,0.0,,,0.0,,0.0,,,,0.0,,,,,,0.0
CC1CCN(CCCNC(=O)c2cn(C)c3ccc(S(=O)(=O)N4CCCC4)cc3c2=O)CC1,CID3243325,,,,,0.0,,,,,,,,0.0,,,,0.0
O=C(NNC(=O)c1ccc(SCC2CCCO2)c([N+](=O)[O-])c1)c1ccc(Cl)c([N+](=O)[O-])c1,CID9550557,,,,,,,,,1.0,,,,,,,,
Cc1ccc(C(=O)NNC(=O)c2ccc(SCC3CCCO3)c([N+](=O)[O-])c2)cc1,CID4308319,,,,,,0.0,,,0.0,,0.0,,,,,,
O=C(NNC(=O)c1ccccc1Br)c1ccc(SCC2CCCO2)c([N+](=O)[O-])c1,CID4459521,,,,,,,,,,,0.0,,,,,,
COc1ccc(/C=N/NC(=O)c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1,CID2218351,,,,,,,,,,,,0.0,,,0.0,,
COc1ccc(/C=N/NC(=O)c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1OC,CID1903213,,,,,,,,,,,,0.0,,,,,
COc1cccc(/C=N/NC(=O)c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1,CID2263466,,,,,,,,,,,,0.0,,,,,
O=C(CN(Cc1ccc(F)cc1)C(=O)c1ccco1)NCc1ccc(F)cc1,CID653827,,,,,,,0.0,,,,,,,,,,0.0
O=C(CN(Cc1ccccc1)C(=O)c1ccco1)NCc1ccc(F)cc1,CID654872,,,0.0,,,,0.0,0.0,,,,0.0,,,,,
O=C(CN(Cc1ccccc1F)C(=O)c1ccco1)NCc1ccc(F)cc1,CID647003,,,,,,,,,,,,,,,,0.0,0.0
NNC(=O)c1cc2c(s1)CCCCCC2,CID3852288,,,,,,,,,,,0.0,,,,,,
CNC(=O)c1cc2c(s1)CCCCCC2,CID2970581,,,0.0,,0.0,,0.0,,,,,,,,,,
N#Cc1c(N)sc2c1CCCCCC2,CID601417,,,,0.0,0.0,,,,,,,,,,,,
O=C(NCCC1=CCCCC1)c1coc(=O)c(Br)c1,CID930575,,,,,,,,,,,,,,,0.0,,
Cc1cc(=O)oc(C)c1C(=O)NCCC1=CCCCC1,CID660712,,,,,,,,,,,0.0,,,,,0.0,
O=C(NCCC1=CCCCC1)c1ccc(=O)oc1,CID662756,,0.0,,,,0.0,,,,,0.0,,,,,,
CCOC(=O)c1c(NC(=O)c2ccnn2C)sc(C)c1C,CID747857,,,,,,,,,0.0,0.0,,,,,,,
CCOC(=O)c1c(NC(=O)c2c(Br)cnn2CC)sc(C)c1C,CID995662,,,,,,,,,0.0,,,,,0.0,,,
COC(=O)c1c(NC(=O)c2ccnn2C)sc(C)c1C,CID573359,,,,,,,,,0.0,,,0.0,,,,,
COCCNC(=O)C(c1cccs1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1,CID654570,0.0,,,0.0,,,,,,0.0,0.0,,,,,0.0,0.0
COCCNC(=O)C(c1cccs1)N(C(=O)Cn1nnc2ccccc21)c1cccc(C)c1,CID649870,0.0,0.0,,0.0,,,,,,,,,,,,0.0,
COCCNC(=O)C(c1cccs1)N(C(=O)Cn1nnc2ccccc21)c1cccc(C(C)=O)c1,CID649396,,0.0,,0.0,,,0.0,,,,,0.0,,,,0.0,0.0
Cc1ccc(CCNC(=O)CCNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1,CID3241577,,0.0,,,0.0,,,0.0,,,0.0,,,,,,0.0
Cn1c(=O)oc2cc(S(=O)(=O)NCCC(=O)NCCc3ccc(Cl)cc3)ccc21,CID3244618,0.0,,,,0.0,,,,,,,,,,,,0.0
Cn1c(=O)oc2cc(S(=O)(=O)NCCC(=O)NCCc3ccccc3)ccc21,CID3239746,,,,0.0,0.0,,,,0.0,,0.0,,,,,,
COC(=O)C(NC(=O)c1ccccc1)=C1CCCCC1,CID739172,,,0.0,,,0.0,,0.0,0.0,0.0,0.0,,,0.0,0.0,0.0,
CCOC(=O)C(NC(=O)c1ccccc1)=C1CCCCC1,CID2191400,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,,,0.0,,,0.0,0.0,0.0,0.0
CC(C)OC(=O)C(NC(=O)c1ccccc1)=C1CCCCC1,CID2282473,,,0.0,,0.0,,,,,,0.0,,0.0,,,0.0,0.0
O=C1CC(N2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccccc1,CID2833553,0.0,,,0.0,,,,0.0,,0.0,,,,,,,
CCOC(=O)c1ccc(N2C(=O)CC(N3CCN(Cc4ccccc4)CC3)C2=O)cc1,CID2877634,0.0,,,,0.0,0.0,0.0,0.0,0.0,0.0,,,0.0,,,,0.0
Cc1cccc(N2C(=O)CC(N3CCN(Cc4ccc(Cl)cc4)CC3)C2=O)c1,CID659952,0.0,,,,,,,,,,,,0.0,,,0.0,0.0
Cc1ccc(SCc2nc3ccccc3n2CC(=O)Nc2ccc(Cl)cc2)cc1,CID1486494,,,,,,,,,,,,0.0,,,,,
Cc1ccc(SCc2nc3ccccc3n2CC(=O)Nc2c(C)cccc2C)cc1,CID1486495,,,,,,0.0,,,,,,,,,,,
O=C(Cn1c(CSc2ccccc2)nc2ccccc21)Nc1ccccc1,CID1486613,,,,,,0.0,,,,,,0.0,,,,,
O=C(NCc1ccco1)c1sc2cc(Cl)ccc2c1Cl,CID794790,,,,,,,,,,0.0,,,,,,,
O=C(NCc1ccco1)c1sc2cc(F)ccc2c1Cl,CID691337,,,,,,,,,,0.0,,,,0.0,,,
O=C(NCc1ccco1)c1sc2cccc(F)c2c1Cl,CID1247256,,,,,,,,,,0.0,,,,,,,
Cc1ccc(C)n1-n1cnc2sc3c(c2c1=O)CCCCC3,CID711152,,,,,,,,,,,,0.0,,,,,
Cc1ccc(C)n1-n1c(C)nc2sc3c(c2c1=O)CCCCC3,CID1537055,0.0,,,,,,0.0,,,,0.0,0.0,,,,,
O=c1c2c3c(sc2ncn1-n1cccc1)CCCCC3,CID829610,,,,,,,,,,,0.0,0.0,,,0.0,,
CCOC(=O)c1cc2ccc(OC(=O)c3ccco3)cc2oc1=O,CID733831,,,,,,,,,,,,,,,0.0,,
CC(=O)c1c(OC(=O)c2ccco2)ccc2c(C)cc(=O)oc12,CID720572,,,,,,0.0,,,,,,,,,,,
COC(=O)Cc1c(C)c2ccc(OC(=O)c3ccco3)cc2oc1=O,CID1242618,,,,,,,,,,,,,,,0.0,,
O=S(=O)(Nc1ccc(Oc2ncccn2)c(Cl)c1)c1ccc(Cl)cc1,CID3847343,,,,,,,,,,0.0,,,,,0.0,,
O=S(=O)(Nc1ccc(Oc2ncccn2)c(Cl)c1)c1ccc(F)cc1,CID3846671,,,,,,0.0,,,,,,,,,,,
COc1ccc(S(=O)(=O)Nc2ccc(Oc3ncccn3)c(Cl)c2)cc1,CID3740369,,,,,,,,,0.0,,,,,,,,
Cc1cccc(N2C(=O)CC(N3CCC(c4nc5ccccc5[nH]4)CC3)C2=O)c1,CID2953320,,,,,,0.0,,,,,,,,,,,
COc1ccc(N2C(=O)CC(N3CCC(c4nc5ccccc5[nH]4)CC3)C2=O)cc1,CID2950146,,,,,,,,,,0.0,0.0,0.0,,0.0,,,
COc1cccc(N2C(=O)CC(N3CCC(c4nc5ccccc5[nH]4)CC3)C2=O)c1,CID2952741,0.0,,0.0,,,,0.0,,,0.0,0.0,0.0,,,,,
Cc1cccn2c(=O)c3cc(C(=O)NCc4ccccc4)c(=N)n(CCCN4CCOCC4)c3nc12,CID3243937,,0.0,,,,,,,,,,,,,,,
N=c1c(C(=O)NCc2ccc(F)cc2)cc2c(=O)n3ccccc3nc2n1CCCN1CCOCC1,CID664382,,,0.0,0.0,,,,,,,,,,,,,
N=c1c(C(=O)NCc2ccccc2)cc2c(=O)n3ccccc3nc2n1CCCN1CCOCC1,CID652204,,,,,,,0.0,,,,,,,,,,
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C2CCc1ccccc1,CID649035,0.0,,,0.0,,,0.0,,,,,,,,,,
CC(CC1C(C#N)=C(N)OC2=C1C(=O)CCC2)c1ccccc1,CID2888319,,,,0.0,,,,0.0,,,,,,,,,
N#CC1=C(N)OC2=C(C(=O)CCC2)C1CCc1ccccc1,CID660022,0.0,,0.0,0.0,,,,,,0.0,,,,,,,0.0
COC(=O)CSc1nc2cc3c(cc2cc1C)OCCO3,CID655508,,,,0.0,,,,,,,,,0.0,,,,
Cc1cc2cc3c(cc2nc1SCC(=O)O)OCCO3,CID653487,,,,,,,0.0,0.0,0.0,,0.0,0.0,,,,,
CCOC(=O)CSc1nc2cc3c(cc2cc1CC)OCCO3,CID3208317,,,,,,,,,,,,0.0,,,,,
O=C(Nc1nccs1)c1cc2c(s1)CCCCC2,CID2572325,,,,,,,,,,,,,,0.0,,,
Cc1csc(NC(=O)c2cc3c(s2)CCCCC3)n1,CID2477027,,,,,,,,,,,,,,0.0,,,
Cc1nc(NC(=O)c2cc3c(s2)CCCCC3)sc1C(=O)N(C)C,CID1247080,0.0,,,0.0,0.0,,,,0.0,0.0,0.0,0.0,0.0,,0.0,,
Cc1cccc(NC(=O)c2ccc3ccccc3n2)c1C,CID2116521,,,,,,0.0,,,,0.0,,,,,,,
O=C(Nc1ccccc1C(=O)O)c1ccc2ccccc2n1,CID878043,,,0.0,0.0,,,,,,,,,,0.0,,,
Cc1ccc(C)c(NC(=O)c2ccc3ccccc3n2)c1,CID2547832,,,,,,0.0,,,,,,0.0,,,,,
Cc1noc(C)c1C(=O)NCc1ccccc1,CID2304308,,,,,,0.0,,,,0.0,,,,0.0,,,
Cc1ccc(C(C)NC(=O)c2c(C)noc2C)cc1C,CID2970413,,,,,0.0,,,0.0,,0.0,,,0.0,,,0.0,0.0
Cc1noc(C)c1C(=O)NC(C)c1ccc(Cl)cc1Cl,CID4878433,,,,,,,,,,,,,,,0.0,,
Cc1ccc(-n2nc(C(=O)NCc3ccco3)c3c4ccccc4n(C)c3c2=O)cc1,CID3241741,0.0,,,,0.0,,,,,,,,,,,,0.0
COc1ccc(-n2nc(C(=O)NCc3ccco3)c3c4ccccc4n(C)c3c2=O)cc1,CID3245156,0.0,0.0,,,0.0,,,,,,,,0.0,,,,
COc1ccc(-n2nc(C(=O)NCc3ccco3)c3c4ccccc4n(C)c3c2=O)cc1Cl,CID3238809,0.0,,0.0,,,,,,,0.0,,,,0.0,0.0,,
Cc1cccc(NC(=O)CSc2nc3[nH]ncc3c(=O)n2-c2ccccc2)c1,CID4536395,,,,,,,,,,,,,,,0.0,,
C=CCN(C(=O)CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1OC)c1ccccc1,CID3236404,0.0,0.0,0.0,,,,0.0,0.0,,,0.0,,0.0,,,0.0,
COc1ccccc1-n1c(SCC(=O)Nc2ccccc2F)nc2[nH]ncc2c1=O,CID3235885,0.0,,,,0.0,,,,0.0,0.0,,,,,,,
O=C1C(Cl)=C(N2CCN(c3ccccc3)CC2)C(=O)N1c1ccccc1,CID1184781,,,,,,0.0,,,,,,,,,,,
Cc1ccc(N2C(=O)C(Cl)=C(N3CCN(c4ccccc4)CC3)C2=O)c(C)c1,CID1184678,,,,,,0.0,,,,,,,,,,,
Cc1ccccc1N1C(=O)C(Cl)=C(N2CCN(c3ccccc3)CC2)C1=O,CID1184791,0.0,,0.0,0.0,,,,,,,,,0.0,,,0.0,0.0
NC(=O)Cn1c(S(=O)(=O)Cc2ccccc2)nc2ccccc21,CID713670,,0.0,,0.0,,,,,0.0,,,0.0,,,,0.0,
CCOC(=O)Cn1c(S(=O)(=O)Cc2ccccc2)nc2ccccc21,CID1086722,,0.0,,,,,0.0,0.0,0.0,0.0,,0.0,0.0,,,0.0,0.0
Cn1c(S(=O)(=O)Cc2ccc(Cl)cc2)nc2ccccc21,CID749163,,,,,,,,,,,,,,0.0,,,
CCn1c(SC)nnc1-c1sc2cc(Cl)ccc2c1Cl,CID713672,,,,,,,0.0,,,,,0.0,,,,,
COc1ccc2c(Cl)c(-c3nnc(SCC(N)=O)n3C)sc2c1,CID1177947,,,,,,,,,,,,,,0.0,,,
COC(=O)CSc1nnc(-c2sc3cc(OC)ccc3c2Cl)n1C,CID1303890,,0.0,,0.0,,,,,0.0,0.0,,,,0.0,,,
O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc(-c2ccc(Cl)cc2Cl)o1,CID2984263,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc(-c2ccc(Br)cc2)o1,CID1316619,0.0,,,,,,0.0,,0.0,,,,,,,0.0,
O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc(-c2cccc(Cl)c2)o1,CID2011756,,,,,,0.0,,,,,,,,,,,
COc1ccc(C2=CC(=O)N(Nc3ccccc3)C2=O)cc1,CID1484351,,,,,,,,,,,,,,,0.0,,
O=C1C=C(c2ccccc2)C(=O)N1Nc1ccccc1,CID1484338,,,,,,,,,,,0.0,,,,,,
O=C1C=C(c2ccc(Cl)cc2)C(=O)N1Nc1ccccc1,CID1484340,,,,,,,,,,,,,,0.0,,,
CCCCCSc1nnc2c(n1)OC(c1cccn1C)N(C(C)=O)c1ccccc1-2,CID3239804,0.0,,,,,0.0,,,,,,,,,,,
CSc1nnc2c(n1)OC(c1cccn1C)N(C(C)=O)c1ccccc1-2,CID3245869,,0.0,,,0.0,,,,,,,,,,,,
CCCSc1nnc2c(n1)OC(c1cccn1C)N(C(C)=O)c1ccccc1-2,CID5310657,,,,0.0,,0.0,,0.0,,,,,,,,,
CCN1C(=O)/C(=C\c2c[nH]c3ccccc23)S/C1=N\c1ccccc1,CID5455413,,,,,,0.0,,,,,,,,,,,
Cc1ccc(/N=C2/S/C(=C\c3cn(CC(=O)O)c4ccccc34)C(=O)N2C)cc1,CID1813404,,,,,,,,,,,,,,0.0,,,
CCN1C(=O)/C(=C\c2c[nH]c3ccccc23)S/C1=N\c1ccc(C)cc1,CID5455426,,,,,,0.0,,,,,,,,,,,
Cc1oc(C)c2c(=O)ccc3c(c12)OC(N)=C(C#N)C3c1ccccc1Cl,CID665460,0.0,,,,,,,,,,,,,,,,0.0
Cc1oc(C)c2c(=O)ccc3c(c12)OC(N)=C(C#N)C3c1ccccc1,CID665296,0.0,,,0.0,,,,,,,,0.0,,,,,
Cc1oc(C)c2c(=O)ccc3c(c12)OC(N)=C(C#N)C3c1ccc(F)cc1,CID665539,,,,,,,0.0,0.0,,,,,0.0,,,,
Cc1ccc2nc(SCC(=O)c3c[nH]c4ccccc34)[nH]c2c1,CID2522847,,,,,,,,,,,,,,0.0,0.0,,
N#CCCn1c(SCC(=O)c2c[nH]c3ccccc23)nc2ccccc21,CID2998483,,0.0,0.0,,,0.0,0.0,,,,,,,,,,
Cc1[nH]c2ccccc2c1C(=O)CSc1nc2ccccc2[nH]1,CID947342,,,,,,0.0,,,,,,,,,,,
O=C(c1nnc(-c2ccncc2)o1)c1ccccc1Cl,CID2333837,0.0,0.0,0.0,,,0.0,0.0,,,,,,0.0,0.0,,0.0,
O=C(c1ccc(Cl)cc1)c1nnc(-c2ccncc2)o1,CID2361010,,,,,,0.0,0.0,,,,,,,,,0.0,0.0
O=C(c1ccccc1)c1nnc(-c2ccncc2)o1,CID2338542,,,,,,,,,,,,,,,0.0,,
COc1ccc(-n2nnc3c(SCC(=O)N4CCN(c5ccccc5)CC4)ncnc32)cc1,CID3236753,0.0,0.0,,0.0,0.0,,,,,,0.0,,,,,,
Cc1ccc(-n2nnc3c(SCC(=O)N4CCN(c5ccccc5)CC4)ncnc32)cc1,CID3236974,,,0.0,,0.0,,0.0,,,,0.0,,0.0,,,,
O=C(CSc1ncnc2c1nnn2-c1ccc(F)cc1)N1CCN(c2ccccc2)CC1,CID3245141,,,,,0.0,,,,,,,,,,,,
CCOC(=O)c1[nH]c(C)c(C(=O)NCc2ccccn2)c1C,CID3236702,,,,,,,,,0.0,0.0,,,0.0,,,,
CCOC(=O)c1c(C)c(C(=O)NCc2ccccn2)c(C)n1CC,CID3243321,,,,0.0,0.0,,0.0,,0.0,,,,,,,,0.0
CCOC(=O)c1c(C)c(C(=O)NCc2ccccn2)c(C)n1C,CID3239796,,0.0,,0.0,0.0,,,,0.0,,,,0.0,,,,
O=C(NC(Cc1c[nH]c2ccccc12)c1nnc2n1CCCCC2)c1ccc(Cl)cc1,CID4249305,,,,,,,,,,,,,,0.0,,,
O=C(NC(Cc1c[nH]c2ccccc12)c1nnc2n1CCCCC2)c1ccccc1Cl,CID4300292,,,,,,0.0,,,,,,,,,,,
O=C(NC(Cc1c[nH]c2ccccc12)c1nnc2n1CCCCC2)c1ccccc1,CID4101282,,,,,,0.0,,,,,,,,,,,
N#Cc1ccc(-n2nccc2-c2cnc3n(c2=O)CCS3)cc1,CID1480652,,,,,,,,,,,0.0,,,,,,
O=c1c(-c2ccnn2-c2ccc(F)cc2)cnc2n1CCS2,CID1480653,,,,,,,,,,0.0,,,,,,,
O=c1c(-c2ccnn2-c2cccc(Cl)c2)cnc2n1CCS2,CID1480654,,,,,,,,,,,,,,,0.0,,
C/C(=C\c1ccccc1)C(=O)c1c(C)cc(C)[nH]c1=O,CID5339150,,,,,,,,,,,,,,0.0,,,
CCc1ccc(/C=C/C(=O)c2c(C)cc(C)[nH]c2=O)cc1,CID5726165,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)c(C(=O)/C=C/c2ccc(C(C)C)cc2)c(=O)[nH]1,CID5339342,,,,,,0.0,,,,,,,,,,,
CCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OCC)C1c1ccncc1,CID40672,,,,,,,0.0,0.0,,,,,0.0,,,,
CCOC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)C1c1ccncc1,CID658681,,,,0.0,,,,,,0.0,0.0,,,,,0.0,
COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccncc1,CID742390,,0.0,0.0,,,,0.0,,,,0.0,,,,,,
COc1ccc(C(C(=O)Nc2ccc(F)cc2)N(C(=O)Cn2nnc3ccccc32)C2CC2)cc1,CID3202421,,,,,,,,,,,,0.0,,,,,
CCOc1ccc(C(C(=O)Nc2ccc(F)cc2)N(C(=O)Cn2nnc3ccccc32)C2CC2)cc1,CID3202420,,,,,,0.0,,,,,,0.0,,,,,
COc1cccc(C(C(=O)Nc2ccc(F)cc2)N(C(=O)Cn2nnc3ccccc32)C2CC2)c1,CID3202425,,,,,,,,,,,,0.0,,,,,
COc1ccccc1-n1nnnc1S(=O)(=O)Cc1ccc(Cl)cc1,CID2302047,,,,,0.0,,0.0,,0.0,,,,,,,,0.0
COc1ccc(-n2nnnc2S(=O)(=O)Cc2ccc(C(=O)O)cc2)cc1,CID1266779,,,,,,,,0.0,,,,,,,,,0.0
Cc1cccc(C)c1-n1nnnc1S(=O)(=O)Cc1ccccc1Cl,CID2210679,,0.0,0.0,,0.0,,,,,,,,,,,,0.0
CCn1nc(C(=O)Nc2nc3ccc(C)cc3s2)c2ccccc2c1=O,CID2089681,,,,,,,,,0.0,,0.0,,,,,,
CC(C)CN(C(=O)c1nn(C)c(=O)c2ccccc12)c1nc2ccccc2s1,CID2413193,,,,,,,,,,,0.0,,,,,,
CC(C)n1nc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c2ccccc2c1=O,CID2666714,,0.0,0.0,,0.0,,0.0,,0.0,0.0,,,0.0,,,0.0,0.0
CCCCn1nnc(NC(=O)C(c2ccccc2)c2ccccc2)n1,CID2219050,,,,,,,,,,,,,,,0.0,,
CCCn1nnc(NC(=O)C(c2ccccc2)c2ccccc2)n1,CID893784,,,,,,0.0,,,,,,,,,,,
Cn1nnc(NC(=O)C(c2ccccc2)c2ccccc2)n1,CID662625,0.0,0.0,,0.0,,0.0,,,,,,0.0,,,,,
CCCCn1nnc(NC(=O)Cc2ccc(Cl)cc2)n1,CID2219051,0.0,,,,,,,,,,0.0,,0.0,,0.0,,
CCCn1nnc(NC(=O)Cc2ccc(Cl)cc2)n1,CID718901,0.0,,,,,,0.0,,,,,,,,,,
CCCn1nnc(NC(=O)Cc2ccccc2)n1,CID893243,,,,,,,,,,,,,,,0.0,,
CCCCn1nnc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)n1,CID2219052,0.0,,,0.0,,,,,,,,0.0,,,,,
CCCn1nnc(NC(=O)c2sc3ccccc3c2Cl)n1,CID894107,,,0.0,,0.0,,0.0,,,,,,,,,,0.0
CCn1nnc(NC(=O)c2sc3ccccc3c2Cl)n1,CID952755,,,,,,,,,,,0.0,,,0.0,,,
COCCn1c(=S)[nH]c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2c1=O,CID3241977,,,,,0.0,0.0,,,,,0.0,,,,,0.0,
COCCn1c(=S)[nH]c2cc(C(=O)N3CCN(c4ccccc4OC)CC3)ccc2c1=O,CID3240662,,,,,,0.0,,,,,,,,,0.0,0.0,0.0
CCCn1c(=S)[nH]c2cc(C(=O)N3CCN(c4ccccc4OC)CC3)ccc2c1=O,CID3238853,,0.0,,,,,,,,,0.0,,,,,,
COc1ccc(C(=O)Cn2c(Br)nc3c2c(=O)n(C)c(=O)n3C)cc1,CID2999222,,,,,,,0.0,,0.0,,,0.0,,,,,0.0
COc1cccc(C(=O)Cn2c(Br)nc3c2c(=O)n(C)c(=O)n3C)c1,CID659212,0.0,,,,,,0.0,,0.0,,,,,,,,0.0
COc1ccc(C(=O)Cn2c(Br)nc3c2c(=O)n(C)c(=O)n3C)cc1OC,CID662674,0.0,,,,,,0.0,,0.0,,,,,,,,
CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(SCc4ccco4)o3)C(=O)N=C2S1,CID16193598,,,,,,,,,,,,,,0.0,,,
CCCC1=NN2C(=N)/C(=C\c3ccc(SCc4ccco4)o3)C(=O)N=C2S1,CID9550113,,,,,,,,,,1.0,,,,,,,
N=C1/C(=C\c2ccc(SCc3ccco3)o2)C(=O)N=C2SC=NN12,CID11957177,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2-c1ccccc1,CID2998692,0.0,0.0,,0.0,0.0,0.0,,,0.0,,0.0,,0.0,,,,0.0
Cc1nn(-c2ccccc2)c2nc(-c3ccco3)cc(C(=O)O)c12,CID2998778,,,,,,0.0,0.0,,,,0.0,,0.0,,,,
CCOC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2-c1cccc(Cl)c1,CID3316323,,,,,,0.0,,,,,,,,,,,
CCCCSc1nnc2n(CCc3ccccc3)c(=O)c3c4c(sc3n12)COC(C)(C)C4,CID660365,,,0.0,,,,,,,,,,,,,,
C=CCSc1nnc2n(CCc3ccccc3)c(=O)c3c4c(sc3n12)COC(C)(C)C4,CID660767,,,,0.0,,,0.0,,,,,,0.0,,,,0.0
CC(C)Sc1nnc2n(CCc3ccccc3)c(=O)c3c4c(sc3n12)COC(C)(C)C4,CID660479,,,,,,,0.0,,,,,,,,,,
Cc1ccc(S(=O)(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1,CID1372146,,,,,,,,,,,,0.0,,,,,
O=C(COc1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1)Nc1ccccc1,CID1372196,,,,,,0.0,,,,,,,,,,,
O=C(COc1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1)Nc1cccc(Cl)c1,CID1361660,,,,,,,,,,,,,,,0.0,,
CC1=C(C)CC(C(=O)c2ccccc2)C(C(=O)O)C1,CID2826754,,,,,,,,0.0,,,,,,,,,
O=C(O)C1CC=CCC1C(=O)c1ccccc1,CID2756602,,,,,,,,,0.0,,,,,,,,
CC1=C(C)CC(C(=O)c2ccc(C)cc2)C(C(=O)O)C1,CID2833532,,,,,,,,,,0.0,,,,,,,
Cc1nc(NC2=NCN(Cc3ccco3)CN2)nc2ccccc12,CID663610,,0.0,0.0,0.0,,,,,,0.0,,,,,,0.0,
CCOc1ccc2nc(NC3=NCN(Cc4ccco4)CN3)nc(C)c2c1,CID664638,,0.0,0.0,,,,,,,,,,,,,,
Cc1ccc2nc(NC3=NCN(Cc4ccco4)CN3)nc(C)c2c1,CID944281,,0.0,,0.0,,,0.0,,,,,,,,,0.0,
C=CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1-c1cc2cccc(OC)c2o1,CID1262602,0.0,,0.0,,0.0,,,0.0,,,0.0,,,,,,0.0
CCn1c(SCC(=O)c2ccccc2)nnc1-c1cc2cc(Br)ccc2o1,CID2221871,0.0,,,,,,0.0,,0.0,,0.0,,,,,0.0,0.0
C=CCn1c(SCC(=O)c2ccccc2)nnc1-c1cc2ccccc2o1,CID1262149,0.0,,,,0.0,,,,,,,,,,,0.0,0.0
CCC1=NN=C2CC(C)(C)CC(NO)=C12,CID5310666,,,,,,0.0,,,,,,,0.0,,,,
CCC1=NN=C2CCCC(NO)=C12,CID5407254,,,0.0,,,,,,,,,,,,,,
CC1=NN=C2CC(C)(C)CC(NO)=C12,CID5310595,,,,,,,0.0,,,,,,,,,,0.0
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2F)cc1,CID2248521,,,,,,0.0,,,,,,,,,,,
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1,CID2267463,,,,,,0.0,,,,,,,,,,,
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccccc1,CID2208576,,,,,,0.0,,,,,,,,,,,
O=S(=O)(c1ccc(Cl)cc1)c1cnc(-c2cccnc2)nc1-c1ccccc1,CID1488343,,,,,,0.0,,,,,,0.0,,,,,
O=S(=O)(c1ccccc1)c1cnc(-c2cccnc2)nc1-c1ccc(Cl)cc1Cl,CID1488235,,,,,,0.0,,,,,,,,,,,
O=S(=O)(c1ccccc1)c1cnc(-c2cccnc2)nc1-c1ccc(Cl)c(Cl)c1,CID1488204,,,,,,0.0,,,,,,0.0,,,,,
C=CCNC(=O)CSc1nnc(-c2ccncc2)n1CCc1ccccc1,CID3168408,,,,,,,,,,,0.0,,,,,,
O=C(O)CSc1nnc(-c2ccncc2)n1CCc1ccccc1,CID652983,,,,,,,0.0,,,,,,,,,0.0,
NC(=O)CSc1nnc(-c2ccncc2)n1CCc1ccccc1,CID653672,,,0.0,0.0,,,0.0,,,0.0,0.0,,,,,0.0,
O=C(CN(Cc1ccccc1)C(=O)CCC(=O)Nc1ccccn1)NCc1ccco1,CID648888,,,,0.0,,,,,,,0.0,,,,,,0.0
COc1ccc(CN(CC(=O)NCc2ccco2)C(=O)CCC(=O)Nc2ccccn2)cc1,CID651261,,,,,,0.0,,,,,0.0,,,,,,
O=C(CN(Cc1ccc(F)cc1)C(=O)CCC(=O)Nc1ccccn1)NCc1ccco1,CID653732,,,,,,,,0.0,,,,,,,,,0.0
O=C(c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1)N1CCN(c2ccccc2)CC1,CID3238372,0.0,,,,,,,0.0,0.0,,0.0,0.0,0.0,,,,0.0
O=C(c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1)N1CCN(c2ccc(F)cc2)CC1,CID3240330,0.0,,0.0,,,,0.0,,,,0.0,,0.0,,,,
Cc1ccc(C)c(N2CCN(C(=O)c3ccc(Cn4c(=O)[nH]c5ccccc5c4=O)cc3)CC2)c1,CID3242373,0.0,,,,,0.0,,,,,0.0,,,,,,0.0
COc1cc(-c2csc(N3CCOCC3)n2)cc(OC)c1OC,CID2998038,0.0,,0.0,,,0.0,,,,0.0,,,,,,,
COc1ccc(-c2csc(N3CCOCC3)n2)cc1OC,CID653894,0.0,,0.0,,,,,0.0,,,,,0.0,,,,
Brc1ccc(-c2csc(N3CCOCC3)n2)cc1,CID720656,,,,,,,,,,,,,,0.0,0.0,,
CC(C)Cc1nc2n[nH]c(N)c2c2c1COC(C)(C)C2,CID910076,,,,,,,,,,,,0.0,,0.0,,,
Cc1nc2n[nH]c(N)c2c2c1COC(C)(C)C2,CID657681,,0.0,,0.0,,,,,0.0,,,,,,,,
CCCc1nc2n[nH]c(N)c2c2c1COC(C)(C)C2,CID658208,,,,,,,,,,,,0.0,,,,,
COc1ccc(C2=CC(=O)CC(c3ccc(OC)cc3)C2)cc1,CID2879253,,,,,,,,,,,,,,,0.0,,
CCOC(=O)C1C(=O)C=C(c2ccc(C)cc2)CC1c1ccccc1,CID2796406,,,,,,,,,,,,,,,0.0,,
COc1ccc(C2=CC(=O)CC(c3ccccc3)C2)cc1,CID2878770,,,,,,,,,,,,,,,0.0,,
Cc1cc(C(=O)CSc2n[nH]c(N)n2)c(C)n1-c1ccc(F)cc1,CID1236431,,,,,,,,,,0.0,0.0,,,,,,
Cc1cc(C(=O)CSc2n[nH]c(N)n2)c(C)n1-c1cc(F)ccc1F,CID1288791,,0.0,,,0.0,,,,,0.0,,,,,,0.0,
Cc1cc(C(=O)CSc2n[nH]c(N)n2)c(C)n1-c1cccc(F)c1,CID2998358,0.0,,,,,,0.0,0.0,,0.0,0.0,,,,,0.0,
COc1cc(CNn2cn[nH]c2=S)cc(Cl)c1OCc1ccccc1,CID1017024,,,,,,,,,,,,0.0,,,,,
COc1cc(CNn2c(C)n[nH]c2=S)cc(Br)c1OCc1ccc(F)cc1,CID1017084,,,,,,,,,,,,,,,0.0,,
COc1cc(CNn2c(C)n[nH]c2=S)cc(Cl)c1OCc1ccc(F)cc1,CID1017089,,,,,,,,,,,,0.0,,,,,
O=C1S/C(=C\c2ccc(N3CCOCC3)o2)C(=O)N1Cc1c(F)cccc1Cl,CID6511277,,,,,,0.0,,,,,,,,,,,
O=C1S/C(=C\c2ccc(N3CCOCC3)o2)C(=O)N1Cc1ccc(F)cc1,CID9551286,,,,,,0.0,,,,,,,,,,,
O=C1S/C(=C/c2ccc(N3CCOCC3)o2)C(=O)N1Cc1ccc(F)cc1,CID5791561,,,,,,,,,,,,0.0,,,,,
O=C(O)CCC(=O)NCC1OCCc2ccccc21,CID2942011,,,,,,,0.0,0.0,,,,,0.0,,,0.0,
O=C(O)CCC1(C(=O)O)OCCc2ccccc21,CID3236156,,,,,,,,0.0,,,,,,,,,
CSc1c(C#N)c(N)c(C#N)c2c1COC(C)(C)C2,CID2213917,,0.0,,0.0,,,0.0,0.0,,,,,0.0,,,,
CCC1Oc2ccccc2N(CC(=O)NCCC2=CCCCC2)C1=O,CID3240535,,,,,0.0,,,0.0,,,,0.0,,0.0,,,0.0
CCC1Oc2ccc(C)cc2N(CC(=O)NCCC2=CCCCC2)C1=O,CID3245175,,,,,0.0,,,0.0,,,,,,,,0.0,
O=C(CN1C(=O)COc2ccccc21)NCCC1=CCCCC1,CID3241017,,,,,,,,,,,0.0,,,,,,
Cc1cc(C)nc(N2CCC(C(=O)NCCc3ccccc3)CC2)n1,CID647083,0.0,,0.0,,,,,,,,,0.0,,,,,
Cc1cc(C)nc(N2CCC(C(=O)NCCc3ccccc3F)CC2)n1,CID650826,,0.0,,,,,,0.0,,,,0.0,,,,,
Cc1cc(C)nc(N2CCC(C(=O)NCCc3ccc(F)cc3)CC2)n1,CID646768,,,,,,,,,,,,0.0,,,,,0.0
O=C(NCc1ccco1)C1=CC2=NC(c3ccc(Br)cc3)CC(C(F)(F)F)N2N1,CID5347464,,,,,,,,,0.0,,,,,,,,
Cc1ccc(C2CC(C(F)(F)F)N3NC(C(=O)NCc4ccco4)=CC3=N2)cc1,CID5764624,,,0.0,,,,,,,,,,,,,,
O=C(NCc1ccco1)C1=CC2=NC(c3ccc(Cl)c(Cl)c3)CC(C(F)(F)F)N2N1,CID5764492,,,,,,,0.0,,,,,,,,,,
CSc1nc2c(c(OC(=O)c3ccc(Cl)cc3)n1)CCCC2,CID1474906,,,,,,,,,,,,0.0,,0.0,0.0,,
CSc1nc2c(c(OC(=O)c3cccc(Cl)c3)n1)CCCC2,CID1474909,,,,,,,,,,,,,,0.0,,,
CSc1nc2c(c(OC(=O)c3cccc(C)c3)n1)CCCC2,CID1474910,,,,,,,,,,,,0.0,,0.0,,,
CCOc1ccc(N2CC(O)Cn3c2nc2c3c(=O)n(CCCc3ccccc3)c(=O)n2C)cc1,CID664449,0.0,,,,,,,,,,,0.0,0.0,,,,
COc1ccc(N2CCCn3c2nc2c3c(=O)n(CCCc3ccccc3)c(=O)n2C)cc1,CID664198,,,,,,,,,,,0.0,0.0,,,0.0,,
COc1cccc(N2CC(O)Cn3c2nc2c3c(=O)n(CCCc3ccccc3)c(=O)n2C)c1,CID664842,0.0,,,,,,,,,,0.0,,,,,,
COc1ccc(-c2cc(C(=O)NCCN3CCOCC3)c3ccccc3n2)c(OC)c1,CID1220321,,,,,,,,,0.0,,,0.0,,,,,0.0
CC(C)Oc1ccc(-c2cc(C(=O)NCCN3CCOCC3)c3ccccc3n2)cc1,CID3442010,,,,,,0.0,,,,,,,,,,,
COc1ccc(-c2cc(C(=O)NCCN3CCOCC3)c3ccccc3n2)cc1,CID2302351,0.0,,0.0,,,0.0,,0.0,0.0,,,,,,,,0.0
N#Cc1ccsc1NC(=O)CSc1ncn[nH]1,CID972603,0.0,,,,,,,,,0.0,,,0.0,,,,
CCOC(=O)c1sc(NC(=O)CSc2ncn[nH]2)c(C#N)c1C,CID2193853,0.0,0.0,0.0,0.0,,,,,0.0,0.0,,0.0,,,0.0,0.0,
CCOC(=O)c1c(NC(=O)CSc2ncn[nH]2)sc(C)c1C,CID2204965,0.0,0.0,,,0.0,,0.0,,0.0,,,,,0.0,,0.0,
COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2cccnc2)cc1OC,CID1933321,,,,,,0.0,,,,,,,,,,,
O=C(/C=C/c1ccccc1)NC(=S)NNC(=O)c1cccnc1,CID5763830,,,,,,,,,,,,,,,0.0,,
COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2cccnc2)cc1,CID1933039,,,,,,,,,,,,,,0.0,,,
O=C(Nc1ccc(Cl)cc1)OCc1ccccn1,CID1211462,,,,,,,,,,0.0,,0.0,,,,,
O=C(Nc1ccccc1)OCc1ccccn1,CID658831,,,,,,,,,,,,0.0,,,,0.0,
O=C(Nc1cccc(Cl)c1)OCc1ccccn1,CID232341,0.0,0.0,,,,,0.0,,,0.0,,,0.0,0.0,,0.0,0.0
CC1CCCC(N2CCN(C(=O)c3ccc(F)cc3)CC2)C1,CID2881368,,,0.0,,,,,0.0,,,,0.0,,,,,
COc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)c(OC)c1,CID1247755,,,0.0,0.0,,,,,,,0.0,,0.0,,,,
O=C(c1cccc(C(F)(F)F)c1)N1CCN(C2CCCCC2)CC1,CID1246758,,,,0.0,,,,,,,,,,,,,0.0
CCc1cc(=O)oc2cc(C)c(CN3CCCC3)c(O)c12,CID5389615,,,,,,0.0,,0.0,,,,,,,,,
CCCc1cc(=O)oc2cc(C)c(CN3CCCC3)c(O)c12,CID5422140,,,,,,0.0,,,,,,,,,,,
CCCCc1cc(=O)oc2cc(C)c(CN3CCCC3)c(O)c12,CID5552742,,,,0.0,,,,0.0,,,0.0,,,,,,
O=C(Nc1ccccc1N1CCCC1)c1cccnc1Cl,CID950919,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccccc1N1CCCC1)c1cccnc1,CID756105,0.0,0.0,,,,,,0.0,,,,0.0,,,,,
O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1cccnc1,CID1088817,0.0,,,,0.0,,,,,,,,,,,,
Cc1nc2ccccn2c1C(=O)N/N=C/c1ccccc1[N+](=O)[O-],CID871248,,,,,,0.0,,,,,,,,,,,
COc1ccc(/C=N/NC(=O)c2c(C)nc3ccc(Br)cn23)cc1,CID998941,,,,,,,,,,,,,,,0.0,,
COc1cccc(/C=N/NC(=O)c2c(C)nc3ccc(Br)cn23)c1,CID1141912,,,,,,,,,,,,,,,0.0,,
COc1ccc(CCN2C(=O)C3CC(C)=C(C)CC3C2=O)cc1OC,CID2957230,,,,,,,,,,0.0,,,,,,,
O=C1C2CC=C(Cl)CC2C(=O)N1CCc1ccccc1,CID2957013,,0.0,0.0,0.0,,,,,,,,,,,,,0.0
COc1ccc(CCN2C(=O)C3CC=C(C)CC3C2=O)cc1OC,CID2941681,,,,,,,,,,0.0,,0.0,,,,,
Nc1c(C(=O)NCCc2ccccc2)nnn1Cc1ccc(Cl)cc1,CID1202271,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(Cn2nnc(C(=O)NCCc3ccccc3)c2N)cc1,CID5308792,,,,,,,,,,,,,,,,0.0,
Nc1c(C(=O)NCCc2ccccc2)nnn1Cc1ccccc1,CID723729,0.0,0.0,0.0,0.0,,,0.0,,,,,,,,,0.0,
COc1cc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)ccc1NC(=O)c1cccs1,CID3345059,,,,,,,,,,,,,,,0.0,,
COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(NC(=O)c2cccs2)cc1,CID2982122,,,,,,,,,,,,0.0,,,,,
COc1cc(NC(=O)c2cccs2)ccc1NC(=O)c1ccccc1Cl,CID1092658,,,,,,,,,,,,,,,0.0,,
O=C1C(=O)N(CCCn2ccnc2)C(c2cccnc2)/C1=C(/O)c1ccc(Br)cc1,CID5310621,,,,,,,,,,,,0.0,,,,,
O=C1C(=O)N(CCCn2ccnc2)C(c2cccnc2)/C1=C(/O)c1ccc(Cl)cc1,CID5310709,,,,,,,,,,,,,0.0,,,,
O=C1C(=O)N(CCCn2ccnc2)C(c2cccnc2)/C1=C(/O)c1ccccc1,CID5310755,,0.0,0.0,,,,,,,,,0.0,,,,,
COc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2Cc2ccco2)cc1OC,CID662747,,,,,,0.0,,,,,0.0,,,,,0.0,
Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2Cc2ccco2)cc1,CID3701194,,,,,,0.0,,,,,,,,,,,
CN(C)c1ccc(NC(=O)CSc2nnc(-c3cccs3)n2Cc2ccco2)cc1,CID1242287,,,,,,,,,,0.0,0.0,,,,,,
COC(=O)c1cccc(N2C(=O)c3ccccc3S2(=O)=O)c1,CID650680,,,,,0.0,,0.0,,0.0,0.0,,0.0,,,,,
CCOC(=O)c1cccc(N2C(=O)c3ccccc3S2(=O)=O)c1,CID971345,,,0.0,,0.0,,,,0.0,,,0.0,,0.0,0.0,0.0,
CCc1ccccc1N1C(=O)c2ccccc2S1(=O)=O,CID971406,,,,,,,,,,,,,,0.0,,,
CCCN1Cc2cccc(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)c2C1=O,CID5309255,0.0,,,,,,,,,,,,,,,,
CCCN1Cc2cccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2C1=O,CID6619484,,,,,,,,,,0.0,,,,,,,
COCCN1Cc2cccc(C(=O)N3CCN(c4cc(C)ccc4C)CC3)c2C1=O,CID5308198,0.0,,0.0,,,,,,,,,,0.0,,,,
Cc1cc(C)c2cc(CN(Cc3ccco3)C(=O)NCc3ccccc3)c(=O)[nH]c2c1,CID644658,0.0,,0.0,,,0.0,,,,,,,0.0,,,,0.0
Cc1cc2cc(CN(Cc3ccco3)C(=O)NCc3ccccc3)c(=O)[nH]c2cc1C,CID653795,0.0,,0.0,,,,,,,,,0.0,0.0,,,,0.0
Cc1ccc2cc(CN(Cc3ccco3)C(=O)NCc3ccccc3)c(=O)[nH]c2c1C,CID655000,0.0,,,,,,,0.0,,,0.0,0.0,,,,,0.0
CCOc1ccc(OCC)c(NC(=O)CSc2nnc(Cn3cnc4ccccc43)n2C)c1,CID652343,0.0,,,,,,,0.0,,,,,,,,0.0,
COc1ccccc1NC(=O)CSc1nnc(Cn2cnc3ccccc32)n1C,CID652348,0.0,,,,0.0,,,,,,,,,0.0,0.0,0.0,0.0
COc1ccc(NC(=O)CSc2nnc(Cn3cnc4ccccc43)n2C)cc1,CID1169101,,,,,,,,,,0.0,0.0,,,,0.0,,
Cc1ccc(C)c(N2CCN(C(=O)CSc3ccsc3[N+](=O)[O-])CC2)c1,CID15944813,,,,,,,,,,,,,,0.0,,,
O=C(CSc1ccsc1[N+](=O)[O-])N1CCN(c2ccc(Cl)cc2)CC1,CID15944879,,,,,,,,,,,,,,,0.0,,
Cc1cccc(N2CCN(C(=O)CSc3ccsc3[N+](=O)[O-])CC2C)c1,CID12004855,,,,,,,,,,,,,,,0.0,,
CNc1sc(C(=O)c2ccccc2F)c(N)c1-c1nc2ccccc2s1,CID3493567,,,,,,,,,,,0.0,,,,,,
CNc1sc(C(=O)c2ccc(F)cc2)c(N)c1-c1nc2ccccc2s1,CID3692696,,,,,,,,,,,0.0,,,,,,
C=CCNc1sc(C(=O)c2ccccc2)c(N)c1-c1nc2ccccc2s1,CID2354941,,,,,,0.0,,,,0.0,,,,,,,
CN1C(=O)C(=CNCCN2CCNCC2)C(=O)N(C)C1=O,CID5595842,,,,,,,,,,,,,,,0.0,,
CCC(=O)N1CCN(CCNC=C2C(=O)N(C)C(=O)N(C)C2=O)CC1,CID5763337,,,0.0,,,,,,,,,,,,,,
CC(C)C(=O)N1CCN(CCNC=C2C(=O)N(C)C(=O)N(C)C2=O)CC1,CID5389060,,,,,,,,,,,,,0.0,,,,
O=c1cccc2n1CC1CC2CN(S(=O)(=O)c2ccccc2)C1,CID3155737,,,,,,,,,,,0.0,,,,,,
CC(C)(C)c1ccc(S(=O)(=O)N2CC3CC(C2)c2cccc(=O)n2C3)cc1,CID3155735,,,,,,0.0,,,,,0.0,,,,,,
Nc1ccc(S(=O)(=O)N2CC3CC(C2)c2cccc(=O)n2C3)cc1,CID2770929,0.0,,,0.0,,,,,,,,,,,,,
COc1ccc(/C=N/NC(=O)c2ccn[nH]2)cc1COc1ccc(Cl)cc1Cl,CID1865965,,,,,,0.0,,,,,,,,,,,
COc1cccc(OCc2cc(/C=N/NC(=O)c3ccn[nH]3)ccc2OC)c1,CID1028199,,,,,,,,,,,,0.0,,,,,
COc1ccc(/C=N/NC(=O)c2ccn[nH]2)cc1COc1ccc(F)cc1,CID1028200,,,,,,,,,,,,0.0,,,,,
CC(C)c1ccc(S(=O)(=O)c2n[nH]n3c2nc(=O)c2ccccc23)cc1,CID3243271,,0.0,,,,,,,0.0,,,0.0,,,,,
Cc1ccc(S(=O)(=O)c2n[nH]n3c2nc(=O)c2ccccc23)cc1,CID3244855,,0.0,,,,,,,,,,,0.0,,,0.0,0.0
CCc1ccc(S(=O)(=O)c2n[nH]n3c2nc(=O)c2ccccc23)cc1,CID3236499,,,0.0,,,,0.0,0.0,0.0,,,,,,,,0.0
COc1ccccc1CCNC(=O)c1nc(-c2cccs2)no1,CID1506857,,,,,,,,,,,,,,0.0,,,
COc1ccc(CCNC(=O)c2nc(-c3cccs3)no2)cc1OC,CID1506870,,,,,,,,,,,,,,0.0,,,
O=C(NCCc1ccccc1)c1nc(-c2cccs2)no1,CID1506858,,,,,,,,,,,,,,0.0,,,
O=S1(=O)N=C(Nc2nncs2)c2ccccc21,CID851382,,,,,,,,,,,,,,,0.0,,
CCc1nnc(NC2=NS(=O)(=O)c3ccccc32)s1,CID626230,0.0,,0.0,0.0,0.0,0.0,,,0.0,0.0,,,0.0,,,,
CCCc1nnc(NC2=NS(=O)(=O)c3ccccc32)s1,CID893505,,,0.0,0.0,0.0,,0.0,,,,,,,,,,
COc1cccc2cc(C(=O)N3CCN(c4ccccn4)CC3)c(=O)oc12,CID4964119,,,,,,,,,,,,0.0,,,,,
O=C(c1cc2cc(Br)ccc2oc1=O)N1CCN(c2ccccn2)CC1,CID1244163,0.0,,,,,,0.0,,0.0,,0.0,,,,,,0.0
COc1cc(Br)cc2cc(C(=O)N3CCN(c4ccccn4)CC3)c(=O)oc12,CID2967551,,,,,,,,,,,0.0,0.0,,,,,
O=S(=O)(NCc1csc(-c2cccnc2)n1)c1cccs1,CID5310121,,,,,,,,,1.0,,,,,,,,
O=S(=O)(NCc1csc(-c2cccnc2)n1)c1ccc(Cl)s1,CID9551566,,,,,,,,,1.0,,,,,,,,
CCc1ccc(S(=O)(=O)NCc2csc(-c3cccnc3)n2)s1,CID5310463,,,,,,,0.0,,,,,,,,,,
CC1NC(=O)N(C)C2NC(=O)N(C)C(c3ccccc3)C12,CID650212,,,,,,,0.0,0.0,,,,,,,,,
CC1C2C(c3ccccc3)N(C)C(=O)N(C)C2N(C)C(=O)N1C,CID657500,,,,,,,,0.0,,,0.0,,,,,,0.0
COc1cc(C2C3C(C)N(C)C(=O)N(C)C3N(C)C(=O)N2C)ccc1O,CID652956,,,,,,,,,,,,,0.0,,,,
COc1ccc(CCNC(=O)c2c(O)n3c4c(cccc4c2=O)CC3)cc1,CID648559,,0.0,,0.0,,,0.0,,,,,0.0,,,,,
O=C(NCCc1ccccc1)c1c(O)n2c3c(cccc3c1=O)CC2,CID645100,0.0,0.0,,0.0,,,,,0.0,,0.0,0.0,,,,,0.0
COc1ccc(CCNC(=O)c2c(O)n3c4c(cccc4c2=O)CC3)cc1OC,CID654313,0.0,,,,,,0.0,,,,,,,,,,
S=C(Nc1ccccc1)N1N=CCC1c1ccccc1,CID4389040,,,,,,,,,,0.0,,,,,,,
S=C(Nc1ccc(Cl)cc1)N1N=CCC1c1ccccc1,CID2949669,,,,,,,,,,,0.0,,,0.0,,,
COc1ccc(NC(=S)N2N=CCC2c2ccccc2)cc1,CID2951269,,,,,,,,,,,0.0,,,,,,
CC1CCN(S(=O)(=O)c2cccc(C(=O)N(C)C3CCS(=O)(=O)C3)c2)CC1,CID2953396,,,,,0.0,,0.0,,,,,,,,,,
Cc1ccc(C(=O)NC2CCS(=O)(=O)C2)cc1S(=O)(=O)N1CCCCC1,CID2963668,,,,,0.0,,0.0,,,,,,,,,,
O=C(NC1CCS(=O)(=O)C1)c1cccc(S(=O)(=O)N2CCCCC2)c1,CID2952920,,,,,0.0,,0.0,,,,0.0,,0.0,,,,
COc1cccc(C2=NOC(C(=O)Nc3cccnc3)C2)c1,CID3245136,0.0,0.0,0.0,,0.0,0.0,,0.0,,,,,,0.0,,,
COc1ccc(OC)c(C2=NOC(C(=O)Nc3cccnc3)C2)c1,CID3243969,,,,,0.0,,,0.0,,,,,,,,,
O=C(Nc1cccnc1)C1CC(c2ccc(Cl)c(Cl)c2)=NO1,CID2962200,,0.0,,,,,,,,,,,,,,,
COc1ccc(-n2nnc3c(SCC(=O)NCc4ccco4)ncnc32)cc1,CID3245138,,0.0,,0.0,0.0,0.0,,,,,0.0,,,,,,
O=C(CSc1ncnc2c1nnn2-c1ccc(F)cc1)NCc1ccco1,CID3245835,,0.0,,,0.0,,,,,,,0.0,,,,,
Cc1ccc(-n2nnc3c(SCC(=O)NCc4ccco4)ncnc32)cc1,CID3238336,,0.0,,,0.0,,,0.0,,,,,,,,,
CC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)NCCc3ccccc3)ccc21,CID3239322,,,,,0.0,,,0.0,0.0,,,,,,,0.0,
COc1ccc(CCNC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1OC,CID3241094,,,,0.0,0.0,,,0.0,0.0,,,,,,,,
CC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)NCCc3ccc(C)cc3)ccc21,CID3238632,,,,,0.0,,,0.0,0.0,,,,,,,0.0,
COc1cccc(Cn2c(=S)[nH]c3ccc(N4CCOCC4)cc3c2=O)c1,CID3239326,,,,,0.0,,,0.0,,,,,,,,,0.0
O=c1c2cc(N3CCOCC3)ccc2[nH]c(=S)n1Cc1ccc(Cl)cc1,CID4094375,,,,,,,,,,,,0.0,,,,,
O=c1c2cc(N3CCOCC3)ccc2[nH]c(=S)n1Cc1cccc(Cl)c1,CID4094372,,,,,,0.0,,,,,,,,,,,
O=C(Cc1cccs1)N1CCN(c2cccc(Cl)c2)CC1,CID669834,,,,,,,,,,,,,,,0.0,,
O=C(Cc1cccs1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1,CID2904576,,,,,,,,,,,,,,0.0,,,
COc1ccccc1N1CCN(C(=O)Cc2cccs2)CC1,CID670139,0.0,,0.0,,,,0.0,,0.0,,,,,,,,
Cn1c(=O)cc(SCC(=O)N2CCCC2)c2cc(Cl)ccc21,CID3243987,0.0,0.0,,,0.0,,,,,,,,,,,,0.0
Cn1c(=O)cc(SCC(=O)N2CCCC2)c2ccccc21,CID3241307,,,,,,,,0.0,,,,,,,,,0.0
Cn1c(=O)cc(SCC(=O)N2CCCC2)c2ccc(Cl)cc21,CID3243344,0.0,0.0,,,0.0,0.0,,,,,,,0.0,,,,0.0
Cn1cc(S(=O)(=O)CC(=O)N2CCc3ccccc32)c2ccccc21,CID2157548,,,,0.0,,,0.0,0.0,,,0.0,0.0,,,,,
CCCn1cc(S(=O)(=O)CC(=O)N2CCc3ccccc32)c2ccccc21,CID3243140,,,,,,,,,,0.0,,,,0.0,,0.0,
CCn1cc(S(=O)(=O)CC(=O)N2CCc3ccccc32)c2ccccc21,CID2053105,,,0.0,0.0,,,,,,0.0,,,,,,,
O=C(Nc1nccs1)c1nc(-c2ccccc2)n(-c2ccccc2)n1,CID2124742,0.0,0.0,0.0,,0.0,,,0.0,,,,,,,,,
Cc1csc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)n1,CID2082426,0.0,0.0,0.0,,0.0,,,0.0,,,,,,,,0.0,
Cc1cnc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)s1,CID2091495,,,0.0,,0.0,,,,,,,,,,,0.0,
CCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1nonc1C,CID662974,,,,,,,,,0.0,,,,0.0,,0.0,,
CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)c1nonc1C,CID661246,,0.0,,0.0,,,,,,,,,0.0,,,,
CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)c1nonc1C,CID662515,,,,,,,,,,,,,,,,0.0,
OCCNCc1ccc(OC2CCCC2)cc1,CID2214584,,,,0.0,0.0,,0.0,,,0.0,0.0,,,,,,
COc1cc(C=O)c(Br)cc1OC1CCCC1,CID2168465,,,,,,,,,0.0,,0.0,,,,,,
COc1cc(C(=O)O)cc(Br)c1OC1CCCC1,CID834727,0.0,,,,,,,,,,,0.0,,,,,
COCc1nnc(NC(=O)CCSc2ccccc2)s1,CID1251582,,,,,,,,,0.0,,0.0,,,,,,
Cc1nnc(NC(=O)CCSc2ccccc2)s1,CID2227153,0.0,,,,0.0,,0.0,,0.0,,,,,,0.0,,
CCCCc1nnc(NC(=O)CCSc2ccccc2)s1,CID2227890,,,,,,,,,,,0.0,,,,0.0,,
CC1CCN(C(=S)NC(=O)c2ccccc2)CC1,CID805897,,,,,,,,,,,,0.0,,,0.0,,
COc1ccc(C(=O)NC(=S)N2CCCCC2)cc1,CID871145,,,,,,,,,,0.0,,0.0,,,,,
COc1ccc(C(=O)NC(=S)N2CCC(C)CC2)cc1,CID895837,,,,,,,,,,,0.0,0.0,,,,,
CCOC(=O)Cc1csc(NC(=O)c2csc3c2CCCC3)n1,CID1246519,,0.0,,,0.0,,0.0,,0.0,0.0,,,,0.0,0.0,0.0,
O=C(Nc1nccs1)c1csc2c1CCCC2,CID822515,,,,,,,,,,0.0,,0.0,,,,,
COC(=O)c1sc(NC(=O)c2csc3c2CCCC3)nc1C,CID1245230,,,,0.0,0.0,,,,0.0,,,,,,0.0,,
COc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)cc1,CID2904127,,,,,,,,,,,,,,,0.0,,
CN1CCN(c2ccc([N+](=O)[O-])cc2C(=O)c2ccc(Cl)cc2)CC1,CID2905323,,,,,,,,,,,,0.0,,0.0,,,
CCN1CCN(c2ccc([N+](=O)[O-])cc2C(=O)c2ccc(Cl)cc2)CC1,CID2890932,,,,,,0.0,,,,,,,,,0.0,,
COc1ccc(NC(=O)CCNC(=O)Cn2ccc3ccccc3c2=O)c(OC)c1,CID3240426,,,,,,,,0.0,,,,,,,,,0.0
CCN(CC)CCOC(=O)c1ccc(NC(=O)CCNC(=O)Cn2ccc3ccccc3c2=O)cc1,CID3237368,,0.0,0.0,,,,,0.0,,,,,,,,,
COc1ccccc1NC(=O)CCNC(=O)Cn1ccc2ccccc2c1=O,CID3243362,,,,,,0.0,,,,,,,,,,,
CC(=O)Nc1ccc(S(=O)(=O)NCCNC(=O)c2ccccc2F)cc1,CID2205482,,,,,,,0.0,,,,,0.0,,0.0,,,
Cc1ccc(C(=O)NCCNS(=O)(=O)c2ccccc2)cc1,CID2291994,,0.0,,,0.0,,,,0.0,,,,,,,0.0,
Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccccc2)cc1,CID3244854,,0.0,0.0,,0.0,,,,,,,,0.0,,,,
COCCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nc2c(c1=O)SC(C)C2,CID3604857,,,,,0.0,,0.0,,,,,,,,,,
CC1Cc2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)n(C)c(=O)c2S1,CID3240264,,,,0.0,0.0,,,,,,0.0,,,,,,
CCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nc2c(c1=O)SC(C)C2,CID3239791,,,0.0,0.0,0.0,,,,,0.0,0.0,,,,,,
CN(C)Cc1c(O)ccc2occ(C(O)c3ccccc3)c12,CID34623,,,,,0.0,,,,,0.0,,,0.0,,,,0.0
COc1ccc(OC)c(C(O)c2coc3ccc(O)c(CN(C)C)c23)c1,CID2834674,,,,,,,,,,,0.0,,,,,,
COc1ccc(C(O)c2coc3ccc(O)c(CN(C)C)c23)cc1,CID2872659,0.0,,0.0,,0.0,,0.0,,,,,,,,,,0.0
Cc1cccnc1NC(=O)c1c(O)n2c3c(cccc3c1=O)CCC2,CID650391,0.0,0.0,0.0,,,,0.0,,0.0,,,,,,,,0.0
O=C(Nc1ccccn1)c1c(O)n2c3c(cccc3c1=O)CCC2,CID651860,0.0,0.0,,,,,0.0,,0.0,0.0,,,0.0,,,,
Cc1cccc(NC(=O)c2c(O)n3c4c(cccc4c2=O)CCC3)n1,CID646583,0.0,0.0,,,,,,,0.0,,,,,,,0.0,
O=C1NC(c2ccc3c(c2)OCO3)Nc2ccccc21,CID650393,0.0,,0.0,,,,,0.0,0.0,0.0,,0.0,,,,,0.0
CN1C(=O)c2ccccc2N(C)C1c1ccc2c(c1)OCO2,CID648889,,,,,,,0.0,0.0,,0.0,,,,0.0,,,0.0
O=C1c2ccccc2NC(c2ccc3c(c2)OCO3)N1O,CID3240627,0.0,,,0.0,,,,0.0,,,,0.0,,,,,0.0
COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CCN1CCN(C2CCCCC2)CC1,CID658825,0.0,,0.0,,,,,0.0,0.0,,,,,,,0.0,1.0
COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CCN1CCN(C2CCCCC2)CC1,CID662124,0.0,,,,0.0,,0.0,,,,,,,,,,
COC(=O)c1[nH]c2ccccc2c1NC(=O)CCN1CCN(C2CCCCC2)CC1,CID658665,0.0,,0.0,,,,,,0.0,0.0,,,,,0.0,0.0,
COCCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)C12C(=O)Nc1ccccc12,CID658820,,,,,0.0,,,,,,,,,,,,
COC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)C12C(=O)N(C)c1ccccc12,CID1975622,,,,,0.0,,,,,,,,,,,,
C=CCN1C(=O)C2(C(C(=O)OCC)=C(N)Oc3c2c(=O)oc2ccccc32)c2ccccc21,CID3242820,,,0.0,,,,,0.0,,,,,,,,,
Cc1ccc2c(Cl)c(C(=O)Nc3cc(C)on3)sc2c1,CID887251,,,,,,,,,,0.0,,,,,,,
O=C(Nc1ccon1)c1sc2ccccc2c1Cl,CID1246314,0.0,0.0,,0.0,,,,,,0.0,,,,0.0,,,0.0
O=C(Nc1ccon1)c1sc2cc(F)ccc2c1Cl,CID2947486,,0.0,,,,,,,,0.0,,,,,,,0.0
Cc1ccccc1NC(=O)Nc1ccccc1C(=O)NCc1ccccc1,CID1340032,,,,,,,,,0.0,,,0.0,,,,,
Cc1ccc(NC(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1,CID1339919,,,,,,0.0,,,0.0,,,,,,,,
O=C(Nc1ccccc1)Nc1ccccc1C(=O)NCc1ccccc1,CID895604,,,,,,,,,0.0,,,0.0,,,,,
Cc1ccc(-n2nnnc2SCC(=O)N2c3ccccc3NC(=O)C2(C)C)cc1,CID2568959,0.0,0.0,,,0.0,,,0.0,,,,,0.0,,,,
O=C1CN(C(=O)CSc2nnnn2-c2ccc(Cl)cc2)c2ccccc2N1,CID2610084,,,,,0.0,,,,,,,,0.0,,,,
Cc1ccc(-n2nnnc2SCC(=O)N2CC(=O)Nc3ccccc32)cc1,CID2615621,,,,,,,,,,,,,,,0.0,,
CC(C)CN(CC(C)C)S(=O)(=O)N1CCC(C(=O)NCc2cccs2)CC1,CID3243628,,,0.0,,,,,,,,,,,,,,
CN(C)C(=O)N1CCC(C(=O)NCc2cccs2)CC1,CID3239396,,0.0,0.0,0.0,,,,,,,,,,,0.0,,0.0
CCS(=O)(=O)N1CCC(C(=O)NCc2cccs2)CC1,CID3241452,,,,,,,,,,,,,0.0,,,0.0,
Cc1ccc(N2CC(C(=O)OCc3ccc([N+](=O)[O-])cc3)CC2=O)cc1,CID2872535,,,,,,,,,,,,,,,0.0,,
Cc1ccc(N2CC(C(=O)OCc3ccccc3F)CC2=O)cc1,CID2983569,,,,,,,,0.0,,,,,,,,,
Cc1ccc(N2CC(C(=O)OCc3ccccc3)CC2=O)cc1,CID2872890,0.0,,,0.0,,0.0,0.0,0.0,,,,,,,,,
Cc1ccc(C(=O)OCC(=O)NC(=O)c2cccn2C)cc1,CID2386933,,,,,,0.0,,,,0.0,0.0,,,,,,
Cn1cccc1C(=O)NC(=O)COC(=O)c1ccccc1O,CID2099328,,,,,0.0,,,,,,,,,,,,
COc1ccc(Cl)cc1C(=O)OCC(=O)NC(=O)c1cccn1C,CID2120576,,,,,,0.0,,,,0.0,,,,,,,
CCC(C(=O)NC1CCCC1)N(Cc1ccco1)C(=O)Cn1nnc(-c2ccc(C)cc2)n1,CID645382,,,,,,,,,,,,,,,,0.0,
CCCCC(C(=O)NC1CCCC1)N(Cc1ccco1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1,CID3180044,,,,,,,,,,,,0.0,,,,,
O=C(CN(Cc1ccco1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1)NC1CCCC1,CID654117,,0.0,0.0,,,,,,,,0.0,,,,0.0,,
COc1ccc(C(=O)NCCc2nnc(SCC(=O)Nc3ccc(Br)cc3)n2C)cc1,CID2220078,,,,,,,,,0.0,,0.0,,,,,,
COc1ccc(C(=O)NCCc2nnc(SCC(=O)Nc3ccccc3)n2C)cc1,CID1266204,,,,0.0,0.0,,,,,,0.0,,,,,,
COc1ccc(C(=O)NCCc2nnc(SCC(=O)Nc3ccccc3C(C)C)n2C)cc1,CID2229066,,,,,,,,,,0.0,,,,,,,
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)c1ccc2c(c1)OCCO2,CID3280973,,,,,,,,,,,,,,,0.0,,
CN(C(=O)COC(=O)c1ccc2c(c1)OCCO2)c1ccccc1,CID2380390,,,,,,,,,,,,,,,0.0,,
N#Cc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)OCCO2,CID2366338,,,,0.0,,,,0.0,,0.0,0.0,,,,0.0,,
COc1ccc(-c2noc(CCC(=O)NCc3cccnc3)n2)cc1,CID667378,,0.0,,,,0.0,,,,,0.0,,0.0,,0.0,0.0,
COc1ccc(-c2noc(CCC(=O)NCc3cccnc3)n2)cc1OC,CID666343,0.0,,,,,,0.0,,0.0,,0.0,,0.0,,,,
O=C(CCc1nc(-c2ccccc2)no1)NCc1cccnc1,CID1859511,,,,,,,,,,,,,,0.0,,,
CCc1nccn1S(=O)(=O)c1ccc2ccccc2c1,CID794374,0.0,,,0.0,0.0,0.0,0.0,,,,,,,,0.0,,
CCOc1ccc2cc(S(=O)(=O)n3ccnc3C)ccc2c1,CID786095,,,,0.0,,,0.0,,0.0,,,0.0,,,,,0.0
CCc1nccn1S(=O)(=O)c1ccc2ccc(C)cc2c1,CID647161,0.0,0.0,,0.0,0.0,,,0.0,,,,0.0,0.0,,,,0.0
CCNC(=O)C1OC(n2cnc3c(N)ncnc32)C(O)C1O,CID2868392,,,,,,,0.0,,,,,,,,,,
Nc1nc(Cl)nc2c1ncn2C1CC(O)C(CO)O1,CID20279,,,,,,,0.0,,,,,,,,,,
C=CCNc1ncnc2c1ncn2C1OC(CO)C(O)C1O,CID264006,,,,,,,,,,,,,,,,0.0,
CC1CCN(c2ccc(C(=O)NCc3cccs3)cn2)CC1,CID646387,0.0,,,,0.0,0.0,,,,,,,,,,0.0,0.0
CC1CCCN(c2ccc(C(=O)NCc3cccs3)cn2)C1,CID646464,,0.0,,,,,,,0.0,,0.0,,,,,0.0,
O=C(NCc1cccs1)c1ccc(N2CCCCC2)nc1,CID653187,,0.0,,,0.0,,0.0,,,,,,,,,0.0,0.0
Cc1nc(SCC(=O)N2CCCc3ccccc32)c2oc3ccccc3c2n1,CID663905,0.0,,,,,0.0,,,,,,,0.0,,,,
O=C(CSc1ncnc2c1oc1ccccc12)N1CCCc2ccccc21,CID663956,,,0.0,,,,,0.0,,,,,,,,,0.0
CCc1nc(SCC(=O)N2CCCc3ccccc32)c2oc3ccccc3c2n1,CID3878372,,,,,,0.0,,,,,,,,,,,
O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1F,CID2906400,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(C(=O)NC(=S)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1,CID2899007,,,,,,,,,,,,,,0.0,,,
O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(F)cc1,CID2906396,,,,,,,,,,,,,,0.0,,,
Cc1c(NC(C)c2ccccc2O)c(=O)n(-c2ccccc2)n1C,CID2901784,,,,,,,,,,,0.0,,,,,,
C=CCc1cccc(CNc2c(C)n(C)n(-c3ccccc3)c2=O)c1O,CID753624,0.0,,,,,,,,,,,0.0,0.0,,,,0.0
Cc1c(NCc2cc(Cl)ccc2O)c(=O)n(-c2ccccc2)n1C,CID948314,,,,,,,,,,,,0.0,,,,,
CCN1CCCC1Cn1cnc2c([nH]c3cccc(Cl)c32)c1=O,CID665502,0.0,0.0,,,,,0.0,,,,,,,,,,
CCN1CCCC1Cn1cnc2c([nH]c3ccc(C)cc32)c1=O,CID662011,,,,,,,,,,,,,,,,,0.0
CCN1CCCC1Cn1cnc2c([nH]c3ccc(Cl)cc32)c1=O,CID660134,0.0,0.0,0.0,0.0,,,0.0,,,,,,,,,0.0,0.0
Cc1cc(C)cc(NC(=O)c2cccc(NC(=O)C3C4CC5OC(=O)C3C5C4)c2)c1,CID2984597,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccc(Br)cc1)c1cccc(NC(=O)C2C3CC4OC(=O)C2C4C3)c1,CID2966222,,,,,,,,,,,,,,0.0,,,
COc1ccc(NC(=O)c2cccc(NC(=O)C3C4CC5OC(=O)C3C5C4)c2)c(OC)c1,CID2966395,,,0.0,,,,,0.0,,,,,,,,,0.0
Cc1cccc(N(CC(=O)NC2CCCCC2)C(=O)CCCC(=O)Nc2ccccn2)c1,CID3197323,,,,,,,,,,0.0,0.0,0.0,,,,,
COc1ccc(N(CC(=O)NC2CCCCC2)C(=O)CCCC(=O)Nc2ccccn2)c(OC)c1,CID651262,,,0.0,,,,0.0,,0.0,,,,,,,,0.0
CCOc1ccccc1N(CC(=O)NC1CCCCC1)C(=O)CCCC(=O)Nc1ccccn1,CID647847,,,,,,,,0.0,,,0.0,,0.0,,,,0.0
CC(C)C(c1nnnn1Cc1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID649639,,,0.0,0.0,,,,,,,,0.0,,,0.0,,0.0
c1ccc(Cn2nnnc2CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1,CID649955,,0.0,,,,,,,,0.0,,,,,,,0.0
CC(C)C(c1nnnn1Cc1ccc(F)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID650318,,,,,,,,,,0.0,,,,,,,
CCN1CCN(CCNC(=O)c2cn(Cc3ccccc3F)nn2)CC1,CID649632,,0.0,,,,,,,,,,,,,,,
Cc1ccc(C(C)n2cc(C(=O)NCCN3CCN(C)CC3)nn2)cc1,CID648494,,0.0,0.0,,,,,0.0,,,,,,,,,
CCN1CCN(CCNC(=O)c2cn(C(C)c3ccccc3F)nn2)CC1,CID651445,,0.0,0.0,,,,,,,,,,,,,,
Cc1c(NC(=O)c2ccco2)cccc1-c1nc2cccnc2s1,CID5310508,,,,,,,,,,,,0.0,,,,,
Cc1ccc(-c2nc3cccnc3s2)cc1NC(=O)c1ccco1,CID3244844,0.0,0.0,,,0.0,,,,,0.0,,,,,,,0.0
O=C(Nc1cccc(-c2nc3cccnc3s2)c1)c1ccco1,CID3244574,0.0,,0.0,0.0,0.0,,,0.0,,,0.0,,,,,,
O=S(=O)(Nc1nc2ccccc2[nH]1)c1ccc(Cl)cc1,CID645632,0.0,,,,0.0,,,,,0.0,,,0.0,,,,1.0
Cc1ccc(S(=O)(=O)Nc2nc3cc(C)c(C)cc3[nH]2)cc1,CID848474,,,,,,,,,,,,,,,0.0,,
O=S(=O)(Nc1nc2ccccc2[nH]1)c1ccccc1,CID648990,,0.0,,0.0,,,,,,0.0,,,,,,0.0,
Cc1ccc(-c2nnn(Cc3nc(N)nc(N4CCOCC4)n3)n2)cc1,CID1202671,,,,,,,,,,,0.0,,,,,,
COc1ccc(-c2nnn(Cc3nc(N)nc(N4CCOCC4)n3)n2)cc1OC,CID1258102,,,,,,,,,,,0.0,,,,,,
Nc1nc(Cn2nnc(-c3ccccc3Cl)n2)nc(N2CCOCC2)n1,CID579842,,,,,,,,,,,0.0,,,,,,
O=C(c1cccnc1)N1CCc2ccccc2C1,CID668908,,,,,,,,0.0,,,,,,,0.0,0.0,
O=C(c1ccc(Cl)nc1)N1CCc2ccccc2C1,CID2474792,,,,,,0.0,,,,,,,,0.0,,,
O=C(c1cncc(Br)c1)N1CCc2ccccc2C1,CID2594965,,,,,,,,,0.0,,0.0,0.0,,,,,
c1ccc(-n2ncc3c(NCc4cccnc4)ncnc32)cc1,CID866512,,0.0,,0.0,,,,0.0,,,,,,,,,
Cc1ccc(-n2ncc3c(NCc4cccnc4)ncnc32)c(C)c1,CID661007,,0.0,,0.0,,,,0.0,,,,,,,,,
Cc1cccc(-n2ncc3c(NCc4cccnc4)ncnc32)c1,CID866523,,,,0.0,,,,,,,0.0,,,,,,
COc1ccccc1C(=O)Nc1cc2cc(Br)ccc2oc1=O,CID1043011,,,,,,,,,0.0,,,0.0,,,,,
COc1ccccc1C(=O)Nc1cc2ccccc2oc1=O,CID827904,,,,,,0.0,,,,0.0,0.0,,,,0.0,,
COc1ccccc1C(=O)Nc1cc2cc(Cl)ccc2oc1=O,CID827908,,,,,,,,,,0.0,,,,0.0,,,
CCOC(=O)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3ccc(OC)cc3)o2)CC1,CID5307383,,,,,,,,,,,,,,,,0.0,
CCOC(=O)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3ccccc3OC)o2)CC1,CID3241575,,,,,,,,,,0.0,,,0.0,,,,
CN1CCN(C(=O)c2ccc(CS(=O)(=O)c3c(Cl)cccc3Cl)o2)CC1,CID5309351,,,,,,,,,0.0,,,,,,,,
CCOc1cc(C)nc(Oc2ccc(=O)[nH]n2)n1,CID891080,,,0.0,,,,,0.0,0.0,,,,,,0.0,,
COc1cc(C)nc(Oc2ccc(=O)[nH]n2)n1,CID660550,,0.0,,0.0,,,,,0.0,,,,,,,,
COc1cc(C)nc(Oc2ccc(=O)n(C)n2)n1,CID659885,,,0.0,0.0,,,,,0.0,,,0.0,,,,,
CC1CCCN(C(=O)C23CCC(C)(C(=O)C2)C3(C)C)C1,CID2921570,,,,,,,,,,0.0,,,,,0.0,,
CC12CCC(C(=O)N3CCCCC3)(CC1=O)C2(C)C,CID2897994,,,,,,,,,,0.0,,,0.0,,,,
CC1CCCCN1C(=O)C12CCC(C)(C(=O)C1)C2(C)C,CID2921296,,,,,,,,,,,,,,,0.0,,
O=C(OCC(=O)N1CCCc2ccccc21)c1cccnc1Cl,CID2361413,,,,,,,,,,,,,,0.0,,,
O=C(OCC(=O)N1CCCc2ccccc21)c1ccc(Cl)nc1,CID2430446,,,,,,,,,,,,,,0.0,,,
O=C(OCC(=O)N1CCCc2ccccc21)c1cncc(Br)c1,CID2417536,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccccc1Cl)NC1(C(=O)N2CCCCC2)CCCCC1,CID1444563,,,,,,,,,,,,0.0,,,,,
COc1ccccc1NC(=O)NC1(C(=O)N2CCC(O)CC2)CCCCC1,CID652071,0.0,,,,,,,,,,,,,,,0.0,0.0
CCOC(=O)C1CCN(C(=O)C2(NC(=O)Nc3ccccc3Cl)CCCCC2)CC1,CID650262,0.0,,,,,,,,,,,,,,,0.0,0.0
COCC(C)n1c(C)cc(C(=O)CSc2ccc(NC(C)=O)cc2)c1C,CID4876177,,,,,,,,,0.0,,,,,,,,
C=CCn1c(C)cc(C(=O)CSc2ccc(NC(C)=O)cc2)c1C,CID2423353,,,,,,,,,,,,0.0,,0.0,,,
COCCn1c(C)cc(C(=O)CSc2ccc(NC(C)=O)cc2)c1C,CID2080432,0.0,,,0.0,,,0.0,,,,,,0.0,,,,0.0
CCCc1nc2ccccc2c(=O)n1-c1c(C)n(C)n(-c2ccccc2)c1=O,CID1256265,,0.0,,0.0,,,0.0,,,,0.0,0.0,0.0,,,,
C=C(C)CSc1nc2ccccc2c(=O)n1-c1c(C)n(C)n(-c2ccccc2)c1=O,CID2105359,,,,,,,,,,,,,,0.0,,,
Cc1c(-n2c(SCC(=O)NC(C)C(C)C)nc3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C,CID4832903,,,,,,,,,,,,,,,0.0,,
COc1ccc(-c2n[nH]c(=S)n2C2CCCCC2)cc1,CID696380,,,,,0.0,0.0,,0.0,,,,0.0,0.0,,,,0.0
Cc1ccccc1-c1n[nH]c(=S)n1C1CCCCC1,CID696384,,,,,,0.0,,,,,,,,,,,
COc1ccc(Cl)cc1-c1n[nH]c(=S)n1C1CCCCC1,CID920318,,,,,,,,,,0.0,,,,,,,
Cc1ccc(-c2nnc(CSc3nc(C(C)C)nc4sc(C)c(C)c34)o2)cc1,CID3192281,,,,,,,,,,,0.0,,,,,,
Cc1ccc(-c2nnc(CSc3nc(C)nc4sc(C)c(C)c34)o2)cc1,CID653425,0.0,0.0,,0.0,0.0,,0.0,,,,,,,,,,
Cc1sc2ncnc(SCc3nnc(-c4ccccc4)o3)c2c1C,CID2080330,0.0,,,0.0,0.0,,0.0,,,0.0,,,,,,0.0,
COCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cccs3)cc12,CID1820554,,,,,,,,,,,,,,0.0,,,
COC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cccs3)cc12,CID1079388,,,0.0,,0.0,,,,0.0,0.0,,,,,0.0,,
CCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cccs3)cc12,CID1079385,,,,,,0.0,,,0.0,,,,,0.0,,,
Cc1ccc(N2C(=O)CSC2c2cccs2)cc1,CID2999563,,,0.0,,,,0.0,,,0.0,,,,,,0.0,
Cc1cc(C)cc(N2C(=O)CSC2c2cccs2)c1,CID660804,,,0.0,,0.0,,0.0,,,0.0,,,0.0,,,,
O=C1CSC(c2cccs2)N1c1ccccc1,CID2998605,,,0.0,,,,0.0,,,0.0,,,,,,,
O=C(O)C1(c2cccc(Cl)c2)CCC1,CID644449,,0.0,,,,,,,,0.0,,,,0.0,,,0.0
O=C(O)C1(c2ccc(Cl)cc2)CCC1,CID602761,,,0.0,,,,,,,0.0,,,,0.0,,,0.0
CCOC1(OCC)C(c2ccc(Cl)cc2)C(C#N)(C#N)C1(OCC)OCC,CID4460283,,,,,,,,,,,,0.0,,,,,
CCn1cc(SCC(=O)NCc2ccc3c(c2)OCO3)c2ccccc21,CID5070966,0.0,,0.0,,,,,,,,,,,,,,
CCCn1cc(SCC(=O)NCc2ccc3c(c2)OCO3)c2ccccc21,CID4185633,,,,,,,,,,0.0,,,,0.0,,,
Cn1cc(SCC(=O)NCc2ccc3c(c2)OCO3)c2ccccc21,CID5054328,,,,,0.0,,,,,,,,,0.0,,,
CCOC(=O)c1c(C)c(C(=O)Nc2ccc3c(c2)OCCO3)c(C)n1C,CID3237054,,,,,,,0.0,,,,,,0.0,,,0.0,
CCOC(=O)c1c(C)c(C(=O)Nc2ccc3c(c2)OCCO3)c(C)n1CC,CID3239136,,,0.0,,,,,,0.0,,0.0,,,,,0.0,0.0
CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccc3c(c2)OCCO3)c1C,CID3240202,0.0,,,,0.0,,,0.0,0.0,,,,,,,,
O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccc(Br)o1,CID2215189,,,,,,,,,0.0,,0.0,,,,,,
O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccco1,CID711452,0.0,,,,0.0,0.0,,,,,0.0,,0.0,,,,
O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1ccco1,CID1086066,,,,,,,,,,0.0,,,,,,,
COc1ccc(Br)cc1CNn1cn[nH]c1=S,CID2235515,,,,,,,,,,,,,,0.0,,,
COc1ccc(Br)cc1CNn1c(C)n[nH]c1=S,CID2027065,,,,,,,,,,,,,,0.0,0.0,,
C=CCOc1ccc(CNn2cn[nH]c2=S)cc1OC,CID2215058,,,,,,,,,,,,0.0,,,,,
Cc1[nH]n2c(nc(=O)c3ccccc32)c1C=O,CID2318053,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1c[nH]n2c1nc(=O)c1ccccc12,CID658330,,,,,,,0.0,,0.0,,,,,,,,
Cc1cc2nc(=O)c3ccccc3n2[nH]1,CID1481832,,,,,,0.0,,,,,,,,,,,
COc1cccc(-c2ccc(=O)n(CC(=O)Nc3ccc(C(=O)N4CCCC4)cc3)n2)c1,CID3224479,,,,,,,,,0.0,0.0,0.0,,,,0.0,,
Cc1ccccc1-c1ccc(=O)n(CC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)n1,CID3224446,,,,,,0.0,,,0.0,0.0,,,,,,,
COc1ccccc1-c1ccc(=O)n(CC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)n1,CID655917,,,,,,0.0,0.0,0.0,0.0,0.0,,0.0,,,,,0.0
O=C(c1ccccc1Oc1ccccc1)N1CCN(c2ccc(F)cc2)CC1,CID1927630,,,,,,,,,,,,0.0,,,,,
O=C(c1ccccc1Oc1ccccc1)N1CCN(c2ccccc2)CC1,CID1352925,0.0,0.0,0.0,,,,,0.0,,,,,,,,,0.0
COc1ccccc1N1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1,CID660125,0.0,,,,,,,,,,,,,0.0,0.0,0.0,
CC(C)/N=C1\SCC(C)(/C=N/O)S1,CID667140,,,0.0,,,,0.0,,,,,,,,,,
CC(C)(C)/N=C1\SCC(C)(/C=N/O)S1,CID658590,,,,,0.0,,0.0,,,,,,0.0,,,,
CCC(C)/N=C1\SCC(C)(/C=N/O)S1,CID666342,,,,,,,0.0,,,,,,0.0,,,,0.0
O=S(=O)(c1ccccc1)n1ccc(-c2cnc(-c3ccccc3)s2)n1,CID1476736,,,,,,,,,,,,,,0.0,,,
COc1ccc(S(=O)(=O)n2ccc(-c3cnc(-c4ccccc4)s3)n2)cc1,CID1476733,,,,,,,,,,,,,,0.0,,,
O=S(=O)(c1ccc(F)cc1)n1ccc(-c2cnc(-c3ccccc3)s2)n1,CID1476742,,,,,,0.0,,,,,,,,,,,
COc1ccc2c(C)cc(SCc3c(C)noc3C)nc2c1,CID727693,,,,,,,,,,,,0.0,,0.0,,,
Cc1noc(C)c1CSc1ccc2ccccc2n1,CID755902,,,,,,,0.0,,,,,0.0,,,,,0.0
Cc1noc(C)c1CSc1cc(C)c2ccccc2n1,CID675343,,,,,,,,,,,,,0.0,0.0,,,
CCOC(=O)C1=CC2=NC(C)CC(C(F)(F)C(F)(F)F)N2N1,CID5741775,,,,,,,,,,,,0.0,,,,,
CC1CC(C(F)(F)C(F)(F)F)N2NC(C(=O)O)=CC2=N1,CID5740506,,,,,,,,,1.0,,,,,,,,
CCOC(=O)C1=CC2=NC(C)CC(C(F)(F)F)N2N1,CID5740505,,,,,,,,,,0.0,,,,,,,
Cc1csc2nc(CSc3nc4ccccc4o3)c(Br)n12,CID1548113,,,,,,,,,,,0.0,0.0,,,,0.0,
Clc1c(CSc2nc3ccccc3o2)nc2sccn12,CID2133717,,,,,,,,,0.0,,,,0.0,0.0,,,
Cc1csc2nc(CSc3nc4ccccc4o3)cn12,CID658403,,,,,0.0,,,,,0.0,,,,,,,
O=C1Nc2ccccc2Nc2ncccc21,CID453241,,,,,,0.0,,,,,,,,,,,
O=C1c2cccnc2Nc2ccccc2N1CCCF,CID2765809,,,,,,,,,,,,,,0.0,,,
Cc1ccc2c(c1)NC(=O)c1cccnc1N2,CID848507,,,,,,,,,,,,0.0,,,,,
CCN1C(=O)C(O)(CC(=O)c2ccc(-n3cccc3)cc2)c2ccccc21,CID2955594,,,0.0,,0.0,,,0.0,0.0,0.0,,,,,,,
O=C(CC1(O)C(=O)Nc2ccccc21)c1ccc(-n2cccc2)cc1,CID2950830,,,,0.0,,,,0.0,0.0,,,,,,,,
C=CCN1C(=O)C(O)(CC(=O)c2ccc(-n3cccc3)cc2)c2ccccc21,CID2969506,,,,,0.0,,,,0.0,,,0.0,,,,,
CN1CCN(C(=O)COc2ccc3ccccc3c2Br)CC1,CID1301012,,,,,,,,,0.0,,,,,,,0.0,0.0
O=CN1CCN(C(=O)COc2ccc3ccccc3c2)CC1,CID874965,,,,,,0.0,,,,,,,,,,,
CCOC(=O)N1CCN(C(=O)COc2ccc3ccccc3c2)CC1,CID846270,,,,,,0.0,,,,,,,,,,,
COc1ccccc1CNC(=O)C(NC(=O)C1CCCCC1)C(C)C,CID3236203,,,,,,,,,0.0,,,,,,,,0.0
COc1ccccc1CNC(=O)C(CCSC)NC(=O)C1CCC(C)CC1,CID9551491,,,,,,,,,,0.0,,,,0.0,,,
COc1ccccc1CNC(=O)C(CC(C)C)NC(=O)C1CCC(C)CC1,CID9551525,,,,,,,,,,,,0.0,,,,,
O=C(COc1ccc(Cl)cc1)NCc1nnc(SCC(=O)N2CCCCC2)o1,CID3242069,,0.0,,,0.0,,,,,,0.0,,,,,,
CC1CCN(C(=O)CSc2nnc(CNC(=O)COc3ccc(Cl)cc3)o2)CC1,CID3241465,,,,,0.0,,,,0.0,,,0.0,0.0,,,,0.0
CCC1CCCCN1C(=O)CSc1nnc(CNC(=O)COc2ccc(Cl)cc2)o1,CID3244733,,,,,0.0,0.0,,,,,,,,,,,0.0
Cc1ccc(CNC(=O)c2nc3nc(C)cc(C)n3n2)cc1,CID2121896,,,,,,,,,,,,0.0,,0.0,0.0,,
Cc1ccnc2nc(C(=O)NCc3ccccc3)nn12,CID2500883,,,,,,,,,,,,,,,0.0,,
Cc1cc(C(F)F)n2nc(C(=O)NCc3ccccc3F)nc2n1,CID975110,0.0,,,,0.0,,0.0,,0.0,,,,,,,0.0,
Cc1cccc(C(=O)N/N=C/c2ccc(OC3CSC3)cc2)c1,CID872684,,,,,,0.0,,,,,,,,,,,
O=C(N/N=C/c1ccc(OC2CSC2)cc1)c1ccccc1,CID552778,,,,,,0.0,,,,,,,,,,,
COc1cccc(C(=O)N/N=C/c2ccc(OC3CSC3)cc2)c1,CID848001,,,,,,,,,,,,,,0.0,,,
O=C(O)Cc1ccc(OCc2ccc(Cl)nc2)cc1,CID2768471,,,,,,,,,,,,,,0.0,,,
COc1cc(C=O)ccc1OCc1ccc(Cl)nc1,CID1487813,,,,,,,,,,,,,,0.0,,,
COc1cc(CO)cc(Br)c1OCc1cccnc1,CID666571,0.0,,,,,,,,,,0.0,,,,,,
CCc1nc(SCc2nc3ccccc3[nH]2)c2oc3ccccc3c2n1,CID3539762,,,,,,0.0,,,,,,,,,,,
Cc1nc(SCc2nc3ccccc3[nH]2)c2oc3ccccc3c2n1,CID664279,,,,0.0,,,,0.0,,,0.0,,0.0,,,0.0,
c1ccc2[nH]c(CSc3ncnc4c3oc3ccccc34)nc2c1,CID663661,0.0,0.0,,,,,,,,,,,0.0,0.0,,0.0,
Cn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)N3CCCCC3)ccc21,CID1506920,,,,,,,,0.0,,,,,,,,,0.0
O=c1[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc2[nH]c1=O,CID717864,,,,,,,,,0.0,,,0.0,,0.0,,,
CC1CCN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1,CID866305,,0.0,,,,,,0.0,0.0,,,,,0.0,,0.0,
CC(=O)c1cccc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NC2CCCCC2)c2cn(C)nc2C)c1,CID3185160,,,,,,,,,,0.0,,,,,,,
Cc1nn(C)cc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1nnc2ccccc21)c1ccc(Cl)cc1,CID3185163,,,,,,,,,0.0,,,,,,,,
Cc1ccc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NC2CCCCC2)c2cn(C)nc2C)cc1,CID644815,0.0,,,,,,,,,0.0,,,,,,,
O=C1C2C3C=CC(C3)C2C(=O)N1CCc1ccccc1,CID2857021,,,,,,,,,,0.0,,,,,0.0,,
COc1ccc(CCN2C(=O)C3C4C=CC(C4)C3C2=O)cc1OC,CID2765652,,,,,,,,,,0.0,,,,,,,0.0
CCOc1ccc(CCN2C(=O)C3C4C=CC(C4)C3C2=O)cc1OCC,CID4362792,,,0.0,0.0,,,,,,,,,,,,,
CN1C(=O)c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2C1=O,CID887467,,,,,,,,,,,,,,,0.0,,
CCN1C(=O)c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2C1=O,CID1026316,,,,,,,,,0.0,0.0,,,,,,,
CC(C)CN1C(=O)c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2C1=O,CID1298204,,,,,,,,,0.0,0.0,0.0,0.0,,,0.0,,
COCCn1c(SCC#N)nnc1-c1ccc2c(c1)OCO2,CID650367,,,,0.0,,0.0,,,0.0,0.0,0.0,,,,,,
Cn1c(SCC#N)nnc1-c1ccc2c(c1)OCO2,CID3228111,,,,,,,,,,0.0,0.0,,,,,,
COC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)n1C,CID866652,,,,,,,,,,0.0,,,,0.0,,,
COCC(=O)N(C)c1nnc(-c2ccccn2)s1,CID647177,,,,0.0,,,,,,,,,0.0,,0.0,0.0,
CC(=O)N(C)c1nnc(-c2ccccn2)s1,CID1446983,,,,,,,,,,0.0,,,,,,,
COCCN(C(C)=O)c1nnc(-c2ccccn2)s1,CID649578,,,,0.0,,,,,,0.0,,,0.0,,,0.0,0.0
O=c1cc(CSc2nnc(-c3cccnc3)n2-c2ccccc2F)nc2sccn12,CID2488770,,,,,,0.0,,,,,,,,,,,
CCc1cccc(CC)c1-n1c(SCc2cc(=O)n3ccsc3n2)nnc1-c1cccnc1,CID2108273,,,,,,0.0,,,,,,0.0,,,,,
Cc1ccc(-n2c(SCc3cc(=O)n4ccsc4n3)nnc2-c2cccnc2)c(C)c1,CID2549560,,,,,,,,,,,,0.0,,,,,0.0
O=[N+]([O-])c1ccc(Sc2cccc3cccnc23)cc1,CID785610,,,,,,,,,,,,0.0,,,,,
O=[N+]([O-])c1ccc(Cl)cc1Sc1cccc2cccnc12,CID673954,,,,,,,,,,0.0,,,,,,,
O=[N+]([O-])c1cc(Cl)ccc1Sc1cccc2cccnc12,CID721818,,,,,,,,,,0.0,,,,,0.0,,
COc1ccc(OC)c(C2=NOC(C(=O)NCCN3CCOCC3)C2)c1,CID3242707,,,0.0,,,,,,,,,,,,,,
COc1ccc(C2=NOC(C(=O)NCCN3CCOCC3)C2)cc1,CID3239645,,,,,,,,0.0,,,0.0,,,,,,
COc1cccc(C2=NOC(C(=O)NCCN3CCOCC3)C2)c1,CID3239086,,0.0,,,,,,,,,,,,,,,
COc1ccc(/C=N/c2c(-c3ccco3)nc3ccccn23)cc1OC,CID707197,,,,,,0.0,,,,,,,,,0.0,,
Clc1ccc(/C=N/c2c(-c3ccco3)nc3ccccn23)cc1,CID695829,,,,,,,,,,,0.0,,,,,,
Oc1cccc(/C=N/c2c(-c3ccco3)nc3ccccn23)c1,CID403057,0.0,0.0,,,,,,,,,,,0.0,,,0.0,
COc1ccccc1/C=c1\sc2nc(-c3cccs3)nn2c1=O,CID3246747,0.0,,,,0.0,,,,,,,,,,,,
COc1ccc(OC)c(/C=c2\sc3nc(-c4cccs4)nn3c2=O)c1,CID3245902,,0.0,,,0.0,,,,,,,,,,0.0,,
COc1cccc(/C=c2\sc3nc(-c4cccs4)nn3c2=O)c1OC,CID3236516,,0.0,0.0,,0.0,0.0,0.0,,0.0,0.0,0.0,,,,,,
Cc1ccc(/C=N/NC2=NC(=O)C(CC(=O)Nc3ccccc3)S2)o1,CID3716568,,,,,,,,,,,,,,,0.0,,
O=C(CC1SC(N/N=C/c2ccco2)=NC1=O)Nc1cccc(Cl)c1Cl,CID3838072,,,,,,,,,,,,,,,0.0,,
Cc1ccc(/C=N/NC2=NC(=O)C(CC(=O)Nc3ccc(Cl)cc3)S2)o1,CID3871413,,,,,,,,,,,,,,0.0,,,
O=C1C2C3C=CC(C3)C2C(=O)N1Cc1ccccc1,CID2836808,,,,,,,,0.0,,0.0,,,,,,,0.0
CC12C(=O)N(Cc3ccccc3)C(=O)C1C1C=CC2C1,CID2900942,,,,,,,,,,0.0,,,,,,,0.0
COc1ccc(CN2C(=O)C3C4C=CC(C4)C3C2=O)cc1,CID3238253,,,0.0,,,0.0,,,,0.0,,,,,,,
CCOC(=O)c1nnc2c(Br)c(-c3ccccc3)nn2c1C,CID1034613,,,,,,,,,0.0,,0.0,0.0,,,,,
CCOC(=O)c1nnc2cc(-c3ccccc3)nn2c1C,CID340715,,0.0,0.0,,,0.0,,,,,,0.0,,,,,
CCOC(=O)c1nnc2cc(-c3ccc(Br)cc3)nn2c1C,CID653172,0.0,,,,,,0.0,,0.0,,0.0,0.0,,,0.0,0.0,0.0
O=C1CC(N2CCN(c3ccc(C(=O)c4ccc(F)cc4)cc3)CC2)C(=O)N1,CID2982708,,,,,,,,0.0,,,,,,,,,0.0
CCN1C(=O)CC(N2CCN(c3ccc(C(=O)c4ccccc4)cc3)CC2)C1=O,CID2981270,,,0.0,,0.0,,0.0,,0.0,0.0,0.0,0.0,0.0,,,,
COc1ccc(C(=O)c2ccc(N3CCN(C4CC(=O)NC4=O)CC3)cc2)cc1F,CID2981774,,0.0,,,,,,,,,,,,,,,
O=C(c1ccco1)N1CCN(C(=O)C2CC(c3ccc(Cl)cc3)=NO2)CC1,CID3158125,,,,,,,,,,,,0.0,,,,,
COc1cccc(C2=NOC(C(=O)N3CCN(C(=O)c4ccco4)CC3)C2)c1,CID5307695,,,,,,,,0.0,,,,,,,,,0.0
O=C(c1ccco1)N1CCN(C(=O)C2CC(c3ccc(F)cc3)=NO2)CC1,CID5309098,,,,,,,0.0,,,,,,,,,,
COCCN(CCOC)C(=O)c1cc2sc3ccccc3c2s1,CID1950083,,,0.0,,,,0.0,,,,,,,0.0,0.0,,
COCCNC(=O)c1cc2sc3ccccc3c2s1,CID1634749,,,0.0,,,,,,,0.0,,,0.0,,,,
CCN(CC)C(=O)c1cc2sc3ccccc3c2s1,CID762506,,,,,0.0,0.0,0.0,,,0.0,,,,,,,
Cc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=O)NC3CCCCC3)cc2c1,CID649083,,,0.0,,,,,,0.0,,,,0.0,,,,0.0
Cc1ccc2cc(CN(CCCN3CCOCC3)C(=O)NC3CCCCC3)c(=O)[nH]c2c1C,CID645866,,,0.0,,,,,,,,,,,,,,
Cc1cc2cc(CN(CCCN3CCOCC3)C(=O)NC3CCCCC3)c(=O)[nH]c2cc1C,CID653893,,0.0,,,,,,0.0,0.0,,,,,,,,0.0
Clc1ccccc1-c1nn2c(Cn3cnc4ccccc43)nnc2s1,CID665870,,,0.0,,,,0.0,,,,,,,,,,
Clc1cccc(-c2nn3c(Cn4cnc5ccccc54)nnc3s2)c1,CID666100,,,0.0,0.0,,,,,,,0.0,,,,,,0.0
c1ccc(-c2nn3c(Cn4cnc5ccccc54)nnc3s2)cc1,CID848757,,0.0,,,,,,,,,0.0,,,,,,
COc1ccc(CCNC(C)CCc2ccc(OC)cc2)cc1,CID2846243,,,,,,0.0,,,,0.0,,,,,,,
CC(CCc1ccc(O)cc1)N(C)CCc1ccccc1,CID2846520,,,,,,,,,,,0.0,,,0.0,0.0,,
COc1ccc(CCC(C)NCCc2ccccc2)cc1,CID2846305,,,,,,0.0,,,,,0.0,,,,,,
Clc1ccc(-n2ncc3c(NCC4CCCO4)ncnc32)cc1,CID3717380,0.0,,0.0,,,,,,,,,,,,,,
Cc1ccc(-n2ncc3c(NCC4CCCO4)ncnc32)c(C)c1,CID2938991,,0.0,,0.0,,,,0.0,,,,,,,,,
c1ccc(-n2ncc3c(NCC4CCCO4)ncnc32)cc1,CID661073,,0.0,,0.0,,,,,,,,,,,,,
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)C1c1ccco1,CID2941157,0.0,,0.0,,,,,,,,,,,,,,
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2cccc(C)c2)=C(C#N)C1c1ccco1,CID3239566,,,0.0,,,,,,,,,,,,,,
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccccc2C)=C(C#N)C1c1ccco1,CID661439,0.0,,,0.0,,,,,,,,,,,,,
Cc1cc(C)cc(-n2c(C)cc(C(=O)CSc3nnnn3C)c2C)c1,CID2630313,,,,,,0.0,,,,,,,,,,,
Cc1cc(C(=O)CSc2nnnn2C)c(C)n1-c1cccc(F)c1,CID2630328,,,,,0.0,,,,,,,,,,,,
Cc1ccc(-n2c(C)cc(C(=O)CSc3nnnn3C)c2C)cc1,CID2998194,,0.0,,,0.0,,0.0,,,,,,,,,,
Cc1cccc(N2CCN(c3nnnn3-c3ccccc3)CC2C)c1,CID651964,,,,,,0.0,0.0,,,,,,,,,,
c1ccc(N2CCN(c3nnnn3-c3ccccc3)CC2)cc1,CID710950,,,0.0,0.0,,,,,,,0.0,,,,,,
Cc1ccc(C)c(N2CCN(c3nnnn3-c3ccccc3)CC2)c1,CID5152494,,,,,,,,,,,0.0,,,,,,
Cc1nn(CC(O)c2ccccc2)c(C)c1Br,CID2950529,,,,,,,,,0.0,,,,,,,,
OC(Cn1cccn1)c1ccccc1,CID3245641,,0.0,,,,,,,,,,,,,,,
CC(=O)OC(Cn1nc(C)cc1C)c1ccccc1,CID658211,0.0,0.0,,,,,,,0.0,0.0,,,0.0,,,0.0,
O=C(COC(=O)c1ccc2c(c1)OCO2)NCc1ccc(Cl)cc1,CID2433268,,0.0,,,,,,,,0.0,,,,0.0,,,0.0
CN(Cc1ccccc1)C(=O)COC(=O)c1ccc2c(c1)OCO2,CID2356141,,,,,,,0.0,,0.0,0.0,,,,0.0,0.0,0.0,
COc1ccc(CN(C)C(=O)COC(=O)c2ccc3c(c2)OCO3)cc1OC,CID2503986,,,,,,0.0,,,,,,,,,,,
COc1ccc(C2C(C(=O)N3CCOCC3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1,CID3243711,,,,,,,,,0.0,,,,,,,,
COc1ccc(N2C(=O)CCC(C(=O)N3CCOCC3)C2c2ccc(F)cc2)cc1,CID3243761,,,,,,,,,,,,,0.0,,,,
COc1ccc(C2C(C(=O)N3CCOCC3)CCC(=O)N2c2ccc(OC)cc2)cc1,CID3238340,,,,,,,,,0.0,,,,,,,,
O=C(Nc1nccs1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1,CID946446,,,,,,,,,,,,,,0.0,,,
O=C(Nc1nccs1)c1ccc(-c2ccccc2Cl)o1,CID1084407,,,,,,,,,,,,,,0.0,,,
O=C(Nc1nccs1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1,CID975008,,,,,,,,,,,,,,0.0,,,
O=C(C(Cc1ccccc1)n1cccc1)N1CCN(c2cccc(Cl)c2)CC1,CID9550920,,,,,,,,,,0.0,,,,,,,
O=C(C(Cc1ccccc1)n1cccc1)N1CCN(c2ccccc2)CC1,CID9550921,,,,,,0.0,,,,,,,,,,,
COc1ccc(N2CCN(C(=O)C(Cc3ccccc3)n3cccc3)CC2)cc1,CID5307622,0.0,,0.0,,,,,,,,,,0.0,,,,
Cc1c(C(=O)NCc2cccnc2)oc2ccc(S(=O)(=O)N3CCCCC3)cc12,CID3241712,,,,,0.0,,,,0.0,0.0,0.0,,,,,0.0,0.0
Cc1c(C(=O)NCc2cccnc2)oc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc12,CID5307875,,,,,,,,,,,,,0.0,0.0,,,
Cc1c(C(=O)NCc2cccnc2)oc2ccc(S(=O)(=O)N3CCCC(C)C3)cc12,CID3235710,,,,,0.0,,,,,,0.0,,0.0,,,,
CCOC(=O)c1[nH]c2ccccc2c1NC(=O)NC1CCCCC1,CID949152,,,,,,,,,0.0,,0.0,,,,,,
O=C(Nc1c(C(=O)O)[nH]c2ccccc12)NC1CCCCC1,CID661102,0.0,0.0,0.0,0.0,,,,0.0,,,,,0.0,,,0.0,
COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)NC1CCCCC1,CID947668,,,,,,,,,0.0,,0.0,,,,,,
c1ccc(SCc2nc(-c3ccncc3)no2)cc1,CID894766,,0.0,,,0.0,,0.0,,,,,,,0.0,,,
Cc1ccc(SC(C)c2nc(-c3ccncc3)no2)cc1,CID2978114,0.0,0.0,,0.0,0.0,,0.0,,,,,,0.0,,,,
Cc1ccc(SCc2nc(-c3ccncc3)no2)cc1,CID2219801,0.0,,,,0.0,,0.0,0.0,,,,,,0.0,,,
O=C(CC1SC(=O)N(c2ccccc2)C1=O)Nc1ccccc1,CID660584,0.0,0.0,,0.0,0.0,,,0.0,,0.0,,,,,,,
Cc1cccc(NC(=O)CC2SC(=O)N(c3ccccc3)C2=O)c1,CID3109981,,,,,,,,,,0.0,,,,,,,
Cc1ccc(NC(=O)CC2SC(=O)N(c3ccccc3)C2=O)cc1,CID3109982,,,,,,,,,,,0.0,,,,,,
COc1ccc(OCC(O)CN2C(=O)c3ccccc3S2(=O)=O)cc1,CID2884971,,,,,,,,,0.0,0.0,,,,,,0.0,
O=C1c2ccccc2S(=O)(=O)N1CC(O)COc1ccc(Cl)cc1,CID295450,,,,,,,,,,0.0,,,,,,,
O=C1c2ccccc2S(=O)(=O)N1CC(O)COc1ccc(Br)cc1,CID2910057,,,,,,,,,0.0,,,,,0.0,,0.0,
O=C(CCC(=O)OCC(=O)c1ccccc1)Nc1cccc(Cl)c1,CID1726610,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1NC(=O)CCC(=O)OCC(=O)c1cccc([N+](=O)[O-])c1,CID1730709,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C(=O)COC(=O)CCC(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-],CID2283939,,,,,,,,,,,,,,0.0,,,
C/C(=N\OC(=O)c1ccc(F)cc1)c1nccs1,CID3427192,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(=O)O/N=C(\C)c2nccs2)cc1,CID1481893,,,,,,,,,,,,,,0.0,,,
C/C(=N\OC(=O)c1ccc(Cl)cc1)c1nccs1,CID1481894,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(N/C(=N/Cc2ccc3c(c2)OCO3)SC2CC(=O)N(c3ccccc3)C2=O)cc1,CID4664179,,,,,,,,,,0.0,,,,,,,
CCOc1ccc(N/C(=N/Cc2ccc3c(c2)OCO3)SC2CC(=O)N(c3ccc(OCC)cc3)C2=O)cc1,CID3589989,,,,,,,,,,,0.0,,,,,,
O=C(O)c1ccc(N2C(=O)CC(S/C(=N\Cc3ccc4c(c3)OCO4)Nc3ccc(F)cc3)C2=O)cc1,CID3897375,,,,,,,,,,,,,,,0.0,,
COc1cccc2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c(=O)oc12,CID1248135,,,,0.0,,,,0.0,0.0,,,,0.0,,0.0,,
COc1cc(Br)cc2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c(=O)oc12,CID2146226,,,,,,,,,0.0,,0.0,,,,,,0.0
C=CCc1cccc2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c(=O)oc12,CID1249773,,,,,,,0.0,,0.0,0.0,,,0.0,,,,
CCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCC(=O)N2CCCC2)cc1,CID6624259,,,,,,0.0,,,,,,,,,,,
Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCC(=O)N2CCCC2)cc1,CID3243230,,0.0,,,,,,0.0,,0.0,,,,,,0.0,0.0
COc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCC(=O)N2CCCC2)c1,CID3241007,,,,,,,,,,,,,,,,0.0,0.0
O=C(CSc1ncccc1C(=O)O)NCc1ccc(F)cc1,CID2371853,,,,0.0,,,,,,0.0,,,,0.0,,,
Cc1ccc(CNC(=O)CSc2nc(C)cc(C)c2C#N)cc1,CID648554,,,0.0,,0.0,,0.0,,,,0.0,,0.0,,0.0,0.0,0.0
CCN(Cc1ccccc1)C(=O)CSc1nc(C)cc(C)c1C#N,CID5223232,0.0,,,,,,,,,,,,0.0,,,0.0,
CCNc1nc(NCC)nc(N(C)n2cnnc2)n1,CID652104,,,,0.0,,,,,,,,0.0,,,,,
CCNc1nc(NC(C)(C)C)nc(N(CC)n2cnnc2)n1,CID650820,,,,0.0,,,,,,,,,,,,,
CCNc1nc(NCC)nc(Nn2cnnc2)n1,CID843776,,,,0.0,,,0.0,,,,,,,,,,
O=C(c1ccco1)C1C2C(=O)N(c3ccc(Br)cc3)C(=O)C2C2c3ccccc3C=CN12,CID664624,,,,,,,,,,,0.0,,,,,,0.0
O=C(c1ccco1)C1C2C(=O)N(c3ccccc3)C(=O)C2C2c3ccccc3C=CN12,CID664021,,,,,,,,0.0,,,,,,,,0.0,0.0
Cc1ccc(N2C(=O)C3C(C2=O)C2c4ccccc4C=CN2C3C(=O)c2ccco2)cc1,CID664517,,,0.0,,,,,,,,,,,,,,0.0
Cc1ccc(C)c2c1cc(C)c1nnc(SCC(=O)NCc3ccc4c(c3)OCO4)n12,CID3186952,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)c2cc(C)c3nnc(SCC(=O)NCc4ccc5c(c4)OCO5)n3c2c1,CID1135678,,,,,,0.0,,,,,,,,,,,
Cc1cc2cc(C)c3nnc(SCC(=O)NCc4ccc5c(c4)OCO5)n3c2cc1C,CID1374114,,,,,,0.0,,,,,,,,,,,
CC(=O)Nc1ccc(NC(=O)COC(=O)Cc2cccs2)cc1,CID2379693,,,,,,0.0,,,0.0,,,,,,,,
COc1ccccc1NC(=O)COC(=O)Cc1cccs1,CID2358035,,,,,,,,,,,,,,0.0,,,
O=C(COC(=O)Cc1cccs1)Nc1ccccc1,CID2999159,,,,0.0,0.0,0.0,,,,,,,,,,,
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C2c1ccsc1,CID2837583,,0.0,,,0.0,,0.0,,,,,,,,,,0.0
N#CC1=C(N)OC2=C(C(=O)CCC2)C1c1ccsc1,CID2837582,,0.0,,0.0,0.0,,0.0,0.0,,,,,,,,,
Cc1cc(C2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c(C)s1,CID2949736,,,,,,,,,,,0.0,,,,,,
CCc1ccc2nc(-c3cccc(C)c3)nc(SCC(=O)NCC3CCCO3)c2c1,CID3184968,,,,,,0.0,,,,,,,,,,,
CCc1cccc2c(SCC(=O)NCC3CCCO3)nc(-c3ccc(F)cc3)nc12,CID3226697,,,,,,,,,,,,0.0,,,0.0,,
CCc1cccc2c(SC(C)C(=O)NCC3CCCO3)nc(-c3ccccc3)nc12,CID3227179,,,,,,,,,,,,0.0,,,,,
CC(C)NC(=O)C1CC1(C)C(NC(=O)OCc1ccccc1)c1ccccc1,CID5461352,,,,,,,,,,,,,,,0.0,,
CNC(=O)C(C)C1CC1(C)C(NC(=O)OCc1ccccc1)c1ccccc1,CID3247286,,,,,,,,,,,,,,,0.0,,
COC(=O)C1CC1C(NC(=O)OCc1ccccc1)c1ccccc1,CID3247382,,,,,,,,,,,,,,0.0,,,
O=C(O)CCc1ccc(-c2cccs2)n1NC(=O)c1ccccc1Br,CID1276278,0.0,,,,,,0.0,,0.0,,,0.0,,0.0,,,0.0
O=C(O)CCc1ccc(-c2cccs2)n1NC(=O)c1ccc(O)cc1,CID1084704,0.0,0.0,,,,,,,,,,,0.0,0.0,,0.0,
O=C(O)CCc1ccc(-c2cccs2)n1NC(=O)c1ccc(Cl)cc1,CID1318332,,,,,0.0,,,,,,,0.0,,,,,0.0
CCOC(=O)C1CCCN(C(=O)c2ccccc2Oc2ccccc2)C1,CID2905319,,0.0,,,,0.0,0.0,,0.0,,,,,,0.0,,0.0
COC(=O)C1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1,CID884056,0.0,,,,,0.0,0.0,,,0.0,,,0.0,0.0,0.0,,
CCOC(=O)C1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1,CID1116206,,,0.0,,,,,,0.0,,,,0.0,,,,
CC(C)C(=O)Nc1cc(=O)nc2nc[nH]n12,CID665943,,0.0,,0.0,,,,0.0,,,,,,,,,
CCC(=O)Nc1cc(=O)nc2nc[nH]n12,CID666512,,,0.0,,,,,,,,,,,,,,
CCCC(=O)Nc1cc(=O)nc2nc[nH]n12,CID667017,,0.0,,0.0,,,,0.0,,0.0,,,,,,,
COc1cc(NC(=O)Nc2ccccc2)c(OC)cc1NC(=O)CN1CCCCC1,CID652478,0.0,,0.0,,,,,0.0,0.0,,,,,,,0.0,0.0
COc1cc(NC(=O)Nc2cccc(Cl)c2)c(OC)cc1NC(=O)CN1CCCCC1,CID651339,,,,,0.0,,0.0,,,,,,,,,,0.0
COc1cc(NC(=O)Nc2ccccc2OC)c(OC)cc1NC(=O)CN1CCCCC1,CID647186,0.0,,,,,,0.0,,0.0,,,,,,,,
COc1cc2c(cc1NC(=O)c1cncc(Br)c1)oc1ccccc12,CID2634087,0.0,,,,,,0.0,,0.0,,,,,,0.0,0.0,0.0
COc1cc2c(cc1NC(=O)c1cccnc1)oc1ccccc12,CID4879767,,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccc2c(c1)oc1ccccc12)c1cccnc1,CID644729,0.0,,0.0,0.0,0.0,0.0,,,,0.0,,0.0,,,,0.0,
Cc1ccc(C)c(N2CCN(C(=O)c3ccc4nc(-c5ccco5)c(-c5ccco5)nc4c3)CC2)c1,CID3420546,,,,,,0.0,,,,,,,,,,,
O=C(c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)N1CCN(c2ccccc2)CC1,CID2214934,0.0,,,,,,,,,,0.0,,,,,,
COc1ccccc1N1CCN(C(=O)c2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)CC1,CID3240449,,,,,,,,,,,0.0,,,,,,
COC(=O)c1sc2nc3c(cc2c1N)COC(C)(C)C3,CID802441,,,,,0.0,,,,,,,,,,,,
CCOC(=O)c1sc2nc3c(cc2c1N)COC(C(C)C)C3,CID3833967,,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1sc2nc3c(cc2c1N)COC(C)(CC)C3,CID3421545,,,,,,0.0,,,,0.0,,,,,,,
CC(=O)c1cccc(NC2c3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)c1,CID5308775,,,,0.0,,,,0.0,,,,,,,,,
CCN(CC)S(=O)(=O)c1ccc(NC2c3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)cc1,CID5308996,0.0,,,0.0,,,,,,,,,,,,,0.0
COc1ccc(OC)c(NC2c3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)c1,CID5309353,0.0,,,,,,,0.0,,,,,,,,,
O=C(NC1=NCCS1)c1cccs1,CID651753,,0.0,0.0,,,,,,,,,,,,,,
O=C(NC1=NCCS1)c1ccc(Br)s1,CID2712566,,,,,,,,,0.0,,,,,,,,
O=C(NC1=NCCS1)c1ccc(Cl)s1,CID1245977,,,,,,,,,,,,,,0.0,0.0,,
O=c1c2ccccc2nc(SCc2nnc(-c3ccccc3)o2)n1-c1ccccc1,CID1327416,0.0,,,,0.0,,,,,,,,0.0,,,,
O=c1c2ccccc2nc(SCc2nnc(-c3ccccc3Br)o2)n1-c1ccccc1,CID2609902,,,,,,,0.0,,,,,,,,,,0.0
O=c1c2ccccc2nc(SCc2nnc(-c3ccccc3)o2)n1-c1ccc(F)cc1F,CID2997796,0.0,,,,0.0,,,,,,,,,,,,0.0
Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1cccs1,CID650408,0.0,0.0,,0.0,0.0,,0.0,0.0,,,0.0,,,,,0.0,0.0
O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1cccs1,CID648555,,0.0,0.0,,0.0,,,,,,0.0,,,,,,
Cc1ccc(-n2nc3ccc(NC(=O)c4cccs4)cc3n2)cc1Cl,CID1371679,,,,,,0.0,,,,,,,,,,,
CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(C)c2C)C1=O,CID2290376,,,,,,,,,,,,0.0,,,,,
COC(=O)CN1C(=O)S/C(=C/c2cc(C)n(C)c2C)C1=O,CID1306820,,,,,,0.0,,,,,,,,0.0,,,
C#CCN1C(=O)S/C(=C/c2cc(C)n(CC)c2C)C1=O,CID1292664,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1,CID2696974,,,,,0.0,,,,,,,,,,,,
COc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1,CID2696908,,,,,,,,,,0.0,,,,,,,
COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1,CID2696932,,,,,,,,,0.0,,,,0.0,,0.0,,
O=C(Nc1ccccc1F)N(CCCN1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3,CID655949,,,,,,,,0.0,,,,,,,,,
O=C(Nc1ccccc1)N(CCCN1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3,CID646643,,,,,,,,0.0,,,0.0,,0.0,,,,0.0
O=C(Nc1ccc(F)cc1)N(CCCN1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3,CID651689,,,0.0,,,,,,,,,,,,,,
CCOc1cc(N2CCOCC2)c(OCC)cc1NS(=O)(=O)c1ccc(Cl)s1,CID2123690,,,0.0,0.0,,,0.0,,,,,,,,,,
O=S(=O)(Nc1ccc(N2CCOCC2)cc1)c1ccc(Cl)s1,CID2161790,,,,,,,,,,,,,,,0.0,,
O=S(=O)(Nc1ccc(N2CCOCC2)cc1)c1cccs1,CID779290,,,0.0,,0.0,,0.0,,,,0.0,,,,0.0,,
Cc1cc(C)c2nc(C(F)(F)F)nc(N3CC(C)OC(C)C3)c2c1,CID2952129,,,,,0.0,,,,0.0,,,,,,,,0.0
CSc1nc(N2CCOCC2)c2ccccc2n1,CID658307,,,,,,,0.0,0.0,,0.0,0.0,,0.0,,0.0,,0.0
CCSc1nc(N2CCOCC2)c2ccccc2n1,CID658218,,0.0,,0.0,,,0.0,0.0,,0.0,,,,,0.0,,
Cc1csc2nc(=O)c(-c3ccccc3)nn12,CID976285,,,0.0,,,,,,,0.0,0.0,,0.0,,0.0,,0.0
Cc1csc2nc(=O)c(-c3ccccc3N)nn12,CID762675,,0.0,,,,,,,,0.0,,0.0,0.0,,,,
CC(=O)Nc1ccccc1-c1nn2c(C)csc2nc1=O,CID976200,,,,,,,,,0.0,0.0,0.0,,,,,,
Cc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCOCC3)C2C(C)C)cc1,CID645069,,,,,,,,0.0,,,,,,,,,
O=C(N1CCOCC1)N1CCN(S(=O)(=O)c2ccccc2)C1,CID656022,,,,,,,,,,,,,0.0,,,,0.0
Cc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCOCC3)C2C)cc1,CID3241896,,,,,,,0.0,0.0,,,,,,,,,0.0
O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)N1CCOCC1,CID973175,,,,,,,,,,,,,,0.0,,,
CC(C)CC(=O)Nc1ccccc1-c1nnn(CC(=O)N2CCOCC2)n1,CID650637,,,,,,,,,,,,0.0,0.0,,,,
COc1ccc(-c2nnn(CC(=O)N3CCOCC3)n2)cc1,CID970561,,,,,,,,,,,,0.0,,,,,
CCCCn1c(SCc2c(C)noc2C)nc2cc(S(N)(=O)=O)ccc21,CID2997601,0.0,0.0,,,0.0,0.0,,,0.0,0.0,,,0.0,,,,
Cc1noc(C)c1CSc1nc2ccccc2[nH]1,CID975504,,0.0,,0.0,,,0.0,0.0,,0.0,0.0,,,,,0.0,1.0
Cc1noc(C)c1CSc1nc2ccccc2n1C,CID2997529,0.0,0.0,,,,,0.0,,,0.0,,,0.0,,,0.0,0.0
NC(=O)CSc1nnnn1CC(CC(=O)O)c1ccccc1,CID2952637,,,,0.0,,,,,,,,,,,,,
O=C(O)CC(Cn1cnnn1)c1ccccc1,CID4442871,,0.0,0.0,,,0.0,,,,0.0,,,,,,,
O=C(O)C(Cc1ccccc1)n1cnnn1,CID658345,,0.0,,,,,,,,,,,,,,,
CCc1cccc2c(C(=O)Cn3nnc(-c4ccc(OC)c(OC)c4)n3)c[nH]c12,CID2550919,,,,,,,,,,,,0.0,,0.0,,,
COc1ccc(-c2nnn(CC(=O)c3c[nH]c4ccccc34)n2)cc1OC,CID652921,0.0,0.0,0.0,0.0,,,,0.0,,,0.0,0.0,0.0,,,,
CCCCOc1ccc(-c2nnn(CC(=O)c3c[nH]c4ccccc34)n2)cc1,CID3188647,,,,,,0.0,,,0.0,,,0.0,,,,,
OC12CCCCC1C(c1ccccc1)NCC2,CID2831033,,0.0,,,,,,,,,,,,,,,0.0
CCOC(=O)N1CCC2(O)CCCCC2C1c1ccc(F)cc1,CID665079,,,,,,,,,,,,,,,,0.0,
COc1ccc(C2NCCC3(O)CCCCC23)c(OC)c1OC,CID648819,,,,0.0,0.0,0.0,,,,,,,,,,,
O=[N+]([O-])c1cccc(C2=Nn3c(Cc4ccccc4)nnc3SC2)c1,CID2874473,,,,,,0.0,,,,,,,,,,,
Fc1ccc(C2=Nn3c(Cc4ccccc4F)nnc3SC2)cc1,CID3272407,,,,,,,,,,0.0,,,,,,,
Fc1ccc(C2=Nn3c(Cc4ccccc4)nnc3SC2)cc1,CID2999919,0.0,,,,,0.0,,,,,,,,,,0.0,
CC(C)NC(=O)c1ccc(OC2CSC2)cc1,CID1092666,,,,,,0.0,,,,0.0,,,,,,,
CNC(=O)c1ccc(OC2CSC2)cc1,CID1131197,,,,,,,,,,,,0.0,,,,,
O=C(O)c1ccc(OC2CSC2)cc1,CID753023,,,0.0,,,,,,0.0,,,,,0.0,,,
Cc1ccc(N2C(N)=C(C#N)C(c3ccsc3)C3=C2CC(C)(C)CC3=O)cc1,CID3926292,,,,,,0.0,,,,,,,,,,,
N#CC1=C(N)N(c2ccccc2)C2=C(C(=O)CCC2)C1c1ccsc1,CID3237676,,,,,0.0,,,0.0,,,0.0,,0.0,,,,
N#CC1=C(N)N(c2ccccc2C#N)C2=C(C(=O)CCC2)C1c1ccsc1,CID3241512,,0.0,,0.0,,,,0.0,,0.0,0.0,,,,,,
C=CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCn3ccnc3)C2c2cccs2)cc1,CID5310844,0.0,,,,,,,,,,,,,,,,
CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCn3ccnc3)C2c2cccs2)cc1,CID5389358,0.0,,,0.0,,,,0.0,,,,,,,,,
CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCn3ccnc3)C2c2cccs2)cc1Cl,CID5771734,,,0.0,,,0.0,,,,0.0,,,,,,,
Cc1ccc(CNC(=O)c2ccc(CN3CCOCC3)cc2)cc1,CID882525,,,,,,,,,0.0,,,,0.0,,,,0.0
COc1ccc(CNC(=O)c2ccc(CN3CCOCC3)cc2)cc1,CID881895,,,,0.0,,,,,,,,0.0,,,,,
O=C(NCc1ccccc1)c1ccc(CN2CCOCC2)cc1,CID786772,,0.0,,0.0,,,,,,,0.0,,,,,,
COc1ccc([N+](=O)[O-])cc1/C=N/Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1,CID5157651,,,,,,,,,,,,,,0.0,,,
O=[N+]([O-])c1ccc(/C=N/Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1,CID3092752,,,,,,,,,,,,,,0.0,,,
COc1c(/C=N/Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cccc1[N+](=O)[O-],CID3092764,,,,,,,,,,,,,,,0.0,,
O=C1C(=O)N(Cc2cccnc2)C(c2ccccn2)/C1=C(/O)c1ccccc1,CID5389446,,,,,,0.0,0.0,,,,,,,,,,
Cc1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)C2c2ccccn2)cc1,CID5771729,,,,,,,,,,,,,,,0.0,,
O=C1C(=O)N(Cc2cccnc2)C(c2ccccn2)/C1=C(/O)c1ccc(Br)cc1,CID5389402,,,,,,,,,,,,,,,,0.0,
CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc3c(c2)OCCO3)C1c1ccco1,CID5389447,,,,0.0,,,0.0,,,,,,,,,,
Cc1ccc(C2/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN(C)C)o1,CID5389412,,,,,,,,0.0,,,,,,,,,
CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc3c(c2)OCCO3)C1c1ccco1,CID5389571,,,,0.0,,0.0,0.0,,,,,,,,,0.0,
CCn1c(C(C#N)/C(=N/S(=O)(=O)c2cccs2)c2ccccc2)nc2ccccc21,CID2999337,,,,,,,,,,,0.0,,,,,,
N#CC(/C(=N/S(=O)(=O)c1cccs1)c1ccccc1)c1nc2ccccc2[nH]1,CID4300483,,,,,,0.0,,,,,,,,0.0,,,
Cn1c(C(C#N)/C(=N/S(=O)(=O)c2cccs2)c2ccccc2)nc2ccccc21,CID2999556,,,,,,0.0,,,,,0.0,,,,,,0.0
Cc1cc(C(=O)OCC(=O)NCc2ccccc2)c(C)o1,CID2645865,,,,,,,,,,,,,,0.0,,,
Cc1cc(C(=O)OCC(=O)NCc2ccccc2Cl)c(C)o1,CID2434453,,,,,,,,,,,,,,,0.0,,
Cc1cc(C(=O)OCC(=O)NCc2ccc(Cl)cc2)c(C)o1,CID2367525,,,,,,,,,,,,,,,0.0,,
Cc1cnc(NC(=O)CSc2nc(=O)c3ccccc3[nH]2)s1,CID900676,0.0,0.0,0.0,0.0,0.0,,0.0,,0.0,,0.0,,,,,,
CC(C)(C)c1csc(NC(=O)CSc2nc(=O)c3ccccc3[nH]2)n1,CID655739,0.0,0.0,,,0.0,,,,0.0,0.0,0.0,,,,,0.0,
Cc1csc(NC(=O)CSc2nc(=O)c3ccccc3[nH]2)n1,CID648548,0.0,0.0,,0.0,0.0,,0.0,,0.0,0.0,,,,,,,
O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc2c(c1)OCO2,CID721391,,,0.0,,,,0.0,,,,,,0.0,,,0.0,
CC(C)C(C(=O)Nc1ccc2c(c1)OCO2)N1C(=O)c2ccccc2C1=O,CID2787124,,,0.0,0.0,,,,,0.0,,,0.0,,,0.0,,
CSCCC(C(=O)Nc1ccc2c(c1)OCO2)N1C(=O)c2ccccc2C1=O,CID2998234,,,,,,,,,,0.0,,,,,,,
CCN1C(=O)C2(/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCOC)c2ccccc21,CID5389858,,,,,,,,,0.0,,,,,,,,
C=CCN1C(=O)C2(/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCOC)c2ccccc21,CID5389749,,,,,,,,0.0,,,,,,,,,
CCCN1C(=O)C2(/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCOC)c2ccccc21,CID5389740,,,,,,,,,,,,,,,0.0,,
COc1ccc(CCNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1,CID7196387,,,,,,,,,,,,0.0,,,,,
COc1ccccc1CCNS(=O)(=O)c1c(C)n(C)c(=O)n(C)c1=O,CID5310175,,,,,,,,,,,,0.0,,,,,0.0
COc1ccc(CCNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1OC,CID5310476,,,,,,,,,,,0.0,,,,,,
COc1cc(CC(NC(C)=O)C(=O)NC2CCN(C(=O)Nc3ccccc3Cl)CC2)cc(OC)c1,CID3227071,,,,,,,,,,,,,,,0.0,,
CCc1ccccc1NC(=O)N1CCC(NC(=O)C(Cc2ccc(OC)c(OC)c2)NC(C)=O)CC1,CID3227057,,,,,,,,,,,,0.0,,,,,
COc1ccc(CC(NC(C)=O)C(=O)NC2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1OC,CID3227059,,,,,,,,,0.0,,,,,,,,
O=C(c1cccs1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID670283,,,,0.0,0.0,0.0,0.0,0.0,,,,,,,,,
COc1ccsc1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID4552727,,,,,,,,,,0.0,,,,,,,
O=C(c1ccc(Br)s1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID1245914,0.0,,,,,,0.0,,0.0,,0.0,,,0.0,,0.0,0.0
COC(=O)c1c(NC(=O)/C=C/c2ccc3c(c2)OCO3)sc(C)c1C,CID1008773,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1c(NC(=O)/C=C/c2ccc3c(c2)OCO3)sc(C)c1CC,CID1022762,,,,,,,,,,,,,,0.0,,,
CCc1c(C)sc(NC(=O)/C=C/c2ccc3c(c2)OCO3)c1C(=O)OC,CID1000759,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(-c2nnc(SCC(=O)c3cc(C)n(Cc4cccs4)c3C)o2)cc1,CID3000148,,,,,,,,,,,1.0,,0.0,,,,
Cc1cc(C(=O)CSc2nnc(-c3ccc(OC(F)F)cc3)o2)c(C)n1Cc1cccs1,CID2566512,,,,,,,0.0,,,,,,,,,,
Cc1cc(C(=O)CSc2nnc(-c3ccccc3F)o2)c(C)n1Cc1cccs1,CID2527506,,,,,0.0,0.0,,,,0.0,1.0,,0.0,0.0,,,
COCCn1c(N)c(C(=O)NCc2cccs2)c2nc3ccccc3nc21,CID662400,,,0.0,,0.0,0.0,,0.0,,0.0,,,0.0,,,0.0,
CC(C)Cn1c(N)c(C(=O)NCc2cccs2)c2nc3ccccc3nc21,CID662466,,,0.0,,,,,,,,0.0,,,,0.0,,
CCCCn1c(N)c(C(=O)NCc2cccs2)c2nc3ccccc3nc21,CID1956827,,,,,,0.0,,,,,0.0,,,,0.0,,
COC1=C/C(=C(\S)N2CCCCC2)C=CC1=O,CID5336454,,,,,,0.0,,,,,,,,,,,
COC1=C/C(=C(\S)N2CCC(C(N)=O)CC2)C=CC1=O,CID5739078,,,0.0,,,,,0.0,,,,,,,,,
O=C1C=CC(=C(S)N2CCCCC2)C=C1,CID5376318,,,,,,0.0,,,,,,,,,,,
c1ccc(N2CCN(c3ncnc4c3oc3ccccc34)CC2)cc1,CID2877644,,,,0.0,,,0.0,0.0,,,,,,,0.0,,
Clc1ccc(N2CCN(c3ncnc4c3oc3ccccc34)CC2)cc1,CID663887,0.0,0.0,0.0,,,0.0,,,,,,,0.0,,,,
COc1ccccc1N1CCN(c2ncnc3c2oc2ccccc23)CC1,CID664216,,,0.0,,,,0.0,0.0,,,,,,,,,
CCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1,CID1084214,,,,,,,,,,0.0,0.0,,,,0.0,,
CSc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1,CID2208758,,,0.0,,0.0,,,,0.0,,0.0,,,,0.0,,
COC(=O)c1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1C,CID2228153,,,0.0,,0.0,,,,,0.0,0.0,,0.0,,,,0.0
O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)c1cccnc1,CID1297339,,,,,,,,,,0.0,,,,,,,
Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4cccnc4)cc3)CC2)cc1,CID650105,0.0,,0.0,0.0,,,0.0,,,0.0,,,0.0,,0.0,,0.0
O=C(Nc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1)c1cccnc1,CID1254451,0.0,,0.0,,,,0.0,,,,,,,,,,
COC(=O)C1=C(N)Oc2cc(C)n(CC3CCCO3)c(=O)c2C1c1ccccc1,CID666370,,,,,,,,,,,,,0.0,,,,0.0
COC(=O)C1=C(N)Oc2cc(C)n(CC3CCCO3)c(=O)c2C1c1ccccc1OC,CID666516,,,0.0,,,,,,,,,,,,,,
COC(=O)C1=C(N)Oc2cc(C)n(CC3CCCO3)c(=O)c2C1c1ccc(Cl)cc1,CID666614,,,,,,,,,,,,,,,,0.0,
C=CCN1CN(S(=O)(=O)c2cccs2)c2nc3ccccc3nc21,CID663741,0.0,0.0,,0.0,,,0.0,,,0.0,,,,,,,
CC(C)CN1CN(S(=O)(=O)c2cccs2)c2nc3ccccc3nc21,CID664880,0.0,,0.0,,,,0.0,,,0.0,,,,,,,
CCCCN1CN(S(=O)(=O)c2cccs2)c2nc3ccccc3nc21,CID664528,0.0,,,,,,0.0,,,,,,,,,,0.0
O=C1c2oc3ccccc3c(=O)c2C(c2cccnc2)N1Cc1ccco1,CID665746,,,0.0,,,,,0.0,,,,0.0,0.0,,,,0.0
O=C1c2oc3ccc(Br)cc3c(=O)c2C(c2cccnc2)N1Cc1ccco1,CID665563,0.0,,,,,,0.0,,0.0,,0.0,,,,,,0.0
O=C1c2oc3ccc(Cl)cc3c(=O)c2C(c2cccnc2)N1Cc1ccco1,CID665996,,0.0,0.0,0.0,,,0.0,,,,,,,,,0.0,0.0
CCc1ccc2[nH]c(=O)c(CN(Cc3ccco3)S(=O)(=O)c3ccc4c(c3)OCCO4)cc2c1,CID646789,,0.0,,0.0,0.0,0.0,,,,0.0,0.0,,,,0.0,,
Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccco3)S(=O)(=O)c3ccc4c(c3)OCCO4)cc12,CID646894,,,,,0.0,,,,,,,,,,,,
Cc1cccc2cc(CN(Cc3ccco3)S(=O)(=O)c3ccc4c(c3)OCCO4)c(=O)[nH]c12,CID649662,,,0.0,,0.0,0.0,,0.0,,,,,,,,0.0,0.0
Cc1ccc(Cn2[nH]nc3c(=O)nc(C4CCN(C(=O)c5cccs5)CC4)nc2-3)cc1,CID647396,0.0,0.0,,0.0,0.0,,,0.0,,,0.0,,,,,,
Cc1ccc(C)c(Cn2[nH]nc3c(=O)nc(C4CCN(C(=O)c5cccs5)CC4)nc2-3)c1,CID652262,,,0.0,,0.0,,,,0.0,0.0,0.0,,,,,,0.0
O=C(c1cccs1)N1CCC(c2nc3n(Cc4ccccc4)[nH]nc-3c(=O)n2)CC1,CID656365,0.0,,,0.0,0.0,,,,,,0.0,,0.0,,,0.0,0.0
C(=N/n1cnnc1)\c1ccc(OCc2ccccc2)cc1,CID760724,,0.0,0.0,0.0,,,0.0,,,,,,,,,,
Fc1ccc(COc2ccc(/C=N/n3cnnc3)cc2)cc1,CID880362,,,,,,,0.0,,,,,0.0,,,,0.0,
Fc1ccccc1COc1ccc(/C=N/n2cnnc2)cc1,CID886698,,,,,,0.0,,,,,,0.0,,,,,
CC(=O)NC(Cc1ccccc1F)C(=O)NC1CCN(C(=O)c2cnccn2)CC1,CID653563,,,,,,,0.0,,,0.0,,,0.0,,,,
CC(=O)NC(Cc1ccccc1)C(=O)NC1CCN(C(=O)c2cnccn2)CC1,CID654344,,0.0,,,,,,0.0,,,,,0.0,0.0,,,
CC(=O)NC(Cc1ccc(C)cc1)C(=O)NC1CCN(C(=O)c2cnccn2)CC1,CID648867,,,0.0,0.0,,,,,,0.0,,,0.0,,,,
COc1nnc(-c2ccc(N3CCCCC3)c(NC(C)=O)c2)c2ccccc12,CID3155247,,,,,,,,,,0.0,,,,,,,
CCCC(=O)Nc1cc(-c2nnc(OC)c3ccccc23)ccc1N1CCCCC1,CID2953328,,,,,,,,,,,,0.0,,,,,
COc1nnc(-c2ccc(N3CCCCC3)c(N)c2)c2ccccc12,CID2953423,,,,,,,,,,,,0.0,,,,,
CC(C)(C)c1ccc(COC(=O)Nc2ccc(F)cc2)cc1,CID823436,,,,,,,,,,,,,,,0.0,,
CS(=O)(=O)c1ccccc1COC(=O)Nc1ccc(Cl)cc1,CID4265899,,,,,,,,,,,,0.0,,,,,
NC(=O)COc1ccc(NC(=O)OCc2ccccc2)cc1,CID895286,,,,0.0,0.0,,,0.0,,,,0.0,,,,,
CCC(=O)Nc1ccc(C(=O)CSc2nc3ccccc3cc2CC)cc1,CID3207928,,,,,,,,,,,,0.0,,,,,
CCc1cc2cccc(C)c2nc1SCC(=O)c1ccc(NC(C)=O)cc1,CID3207980,,,,,,,,,,,,0.0,,,,,
CCc1cc2ccc(C)cc2nc1SCC(=O)c1ccc(NC(C)=O)cc1,CID1440469,,,,,,0.0,,,,,,0.0,,,,,
CCOC(=O)c1sc(NC(=O)CSc2nncs2)c(C(=O)OCC)c1C,CID2110226,,,,,0.0,,0.0,,0.0,,,,,,,,
CCOC(=O)c1sc(NC(=O)CSc2nnc(C)s2)c(C(=O)OCC)c1C,CID645385,,,0.0,,0.0,,,,0.0,,0.0,,,,,,
CCOC(=O)c1c(NC(=O)CSc2nncs2)sc(C)c1C,CID2531992,,,,,,,,,,,,,,,0.0,,
CN1C(=O)C(=Cc2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N(C)C1=O,CID1271880,,,,,,0.0,,,,,,,,,,,
CN1C(=O)C(=Cc2ccccc2OCc2ccc(C(=O)O)cc2)C(=O)N(C)C1=O,CID2276020,,,,,,,,,,,,,,,0.0,,
O=C1NC(=O)C(=Cc2ccccc2OCc2ccccc2F)C(=O)N1,CID2203881,,,,,,0.0,,,,,,,,,,,
O=C1Nc2ccccc2C(O)(C(=O)NCc2ccco2)N1c1ccccc1,CID3244087,,0.0,,,,,0.0,,,,,,,,0.0,0.0,0.0
O=C1Nc2ccccc2C(O)(C(=O)NCc2ccco2)N1c1ccc(Cl)cc1,CID3243486,,,,,,,,,,0.0,,,,,,0.0,0.0
CCOc1ccc(N2C(=O)Nc3ccccc3C2(O)C(=O)NCc2ccco2)cc1,CID4119511,,,,,,,,,,,,,,,0.0,,
COc1ccc(Cc2noc(COc3ccc(Cl)cc3)n2)cc1,CID699769,,,,,,,,,,,,,,0.0,,,
COc1ccccc1OCc1nc(Cc2ccc(Cl)cc2)no1,CID868109,,,0.0,,,,,,,,,,,0.0,,0.0,0.0
COc1ccccc1Cc1noc(COc2cccc(C)c2C)n1,CID888314,,,,,,,0.0,,0.0,,,0.0,0.0,0.0,,,
CC(=O)c1c(N2CCOCC2)nc(=S)n(-c2ccccc2)c1C,CID2833639,,,,,,,,,0.0,,,,,,,,
CC(=O)c1c(N2CCOCC2)nc(=S)n(-c2ccc([N+](=O)[O-])cc2)c1C,CID1357831,,,,,,,,,,,0.0,,,,,,
CC(=O)c1c(N2CCOCC2)nc(=S)n(-c2cc(C)ccc2C)c1C,CID1263320,0.0,,,,0.0,,,,,0.0,,,,,,0.0,0.0
O=c1cc(CSc2nnc(COc3ccccc3)o2)c2ccccc2[nH]1,CID645403,0.0,,,,0.0,,0.0,0.0,,,0.0,,,0.0,,,0.0
O=c1cc(CSc2nnc(COc3ccc(Cl)cc3)o2)c2ccccc2[nH]1,CID647966,0.0,0.0,,,0.0,,,,,0.0,0.0,0.0,0.0,,,,0.0
Cc1ccc(OCc2nnc(SCc3cc(=O)[nH]c4ccccc34)o2)cc1,CID650335,0.0,0.0,,0.0,0.0,,,,,,,,,,,0.0,0.0
COc1cc(NC(=O)COc2ccc(C)cc2)ccc1NC(=O)c1ccco1,CID1370595,,,,,,0.0,,,,,,,,,,,
COc1ccc(OCC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1,CID1363991,0.0,0.0,,0.0,,,,0.0,0.0,0.0,0.0,,0.0,,,,
O=C(COc1ccccc1)Nc1ccc(NC(=O)c2ccco2)cc1,CID744285,,,,,,,,,,,,,,,0.0,,
CCON/C(C)=C1/C(=O)C=C(c2ccccc2)N(c2ccccc2)C1=O,CID6047289,,,,,,,,,,,,,,,0.0,,
C=CCON/C(C)=C1/C(=O)C(CC)=C(c2ccccc2)N(c2ccccc2)C1=O,CID9549710,,,,,,,,,0.0,,,,,,0.0,,
C=CCON/C(C)=C1/C(=O)C(C)=C(c2ccccc2)N(c2ccccc2)C1=O,CID9549703,,,,,,,,,0.0,,0.0,,,,,,
CCOc1ccc2nc(SCC(=O)Nc3cccc(C)c3)sc2c1,CID1379053,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC(=O)CSc2nc3ccccc3s2)c(OC)c1,CID592866,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(NC(=O)CSc2nc3ccc(OCC)cc3s2)cc1,CID1222097,,,,,,0.0,,,,,,,,,,,
COc1ccc(-n2c(COc3ccc(Cl)cc3)nnc2SCc2ccc(C#N)cc2)cc1,CID4371275,,,,,,,,,,,0.0,,,,,,
COc1ccc(-n2c(COc3ccccc3)nnc2SCc2ccc(C#N)cc2)cc1,CID666804,0.0,,,,0.0,,,,,,,,,,0.0,,
N#Cc1ccc(CSc2nnc(COc3ccccc3)n2-c2ccccc2)cc1,CID1264499,,,,,,,,,,,0.0,,,,,,
CC1(C(=O)O)Cc2ccccc2C(=O)O1,CID2983547,,,,,,0.0,,,,,0.0,,,,,,
CCOC(=O)C1Cc2ccccc2C(=O)O1,CID590148,,,0.0,,,,0.0,0.0,,,,,0.0,0.0,,,
CCCCOC(=O)C1Cc2ccccc2C(=O)O1,CID2936788,,,,,,0.0,0.0,0.0,,,0.0,,,,,,
COc1ccc(-n2ncc(S(=O)(=O)c3ccccc3)c2-c2ccc(Cl)cc2)cc1,CID1483439,,,,,,,,,,,,,,,0.0,,
COc1ccc(-c2c(S(=O)(=O)c3ccccc3)cnn2-c2ccccc2)cc1,CID1483452,,,,,,,,,,,,0.0,,0.0,0.0,,
O=S(=O)(c1ccccc1)c1cnn(-c2ccccc2)c1-c1ccc(Cl)cc1,CID1483408,,,,,,0.0,,,,,,,,,,,
CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nc2ccccc2[nH]1,CID4335082,,,,,,0.0,,,,,,,,,,,
Cn1c(COc2ccccc2)nnc1SCc1nc2ccccc2[nH]1,CID1264486,0.0,,0.0,0.0,0.0,,0.0,,,0.0,0.0,,,,,0.0,
CCn1c(COc2ccc(C)cc2)nnc1SCc1nc2ccccc2[nH]1,CID2043148,,,,,,,,,,,0.0,,,,,,
CCC1(C)Cc2c(sc3c2c2ncnn2c2nnc(SCC(=O)NCc4ccco4)n32)CO1,CID665286,,0.0,,,,,,,,,,,,,,0.0,
CC1(C)Cc2c(sc3c2c2ncnn2c2nnc(SCC(=O)NCc4ccco4)n32)CO1,CID665622,,0.0,,0.0,,,,,,,,0.0,,,,,
Cc1nc2c3c4c(sc3n3c(SCC(=O)NCc5ccco5)nnc3n2n1)COC(C)(C)C4,CID665095,,0.0,,,,,,,,,,,,,,0.0,0.0
Nn1cnnc1SCC(=O)Nc1ccc2c(c1)OCCO2,CID644607,,0.0,,0.0,,,,0.0,,0.0,,0.0,0.0,,,,
Nn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1C(F)(F)F,CID659582,0.0,0.0,,,0.0,,,,,,,,,,,,
Cc1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1N,CID4479488,,,,,,,,,,,0.0,,,,,,
Nc1nc(=O)c2ncn(COC(CO)CO)c2[nH]1,CID3454,,,,,,,,,,,,,,0.0,,,
Nc1nc(=O)c2ncn(COCCO)c2[nH]1,CID2022,,,,0.0,,,,,,,,,,0.0,,,
CC(=O)Nc1nc(=O)c2ncn(COCCOC(C)=O)c2[nH]1,CID653052,,,,,,,,0.0,,,,0.0,,,,,
COc1ccc(S(=O)(=O)N2c3cc(Cl)ccc3Oc3nc4ccccc4nc32)cc1,CID1211576,,,,,,,,,,0.0,0.0,0.0,,,,,
O=S(=O)(c1ccc(Cl)cc1)N1c2ccccc2Oc2nc3ccccc3nc21,CID1211574,,,,,,,,,,,0.0,0.0,,,,,
O=S(=O)(c1ccccc1)N1c2cc(Cl)ccc2Oc2nc3ccccc3nc21,CID1040554,,,,,,,,,,,,0.0,,,,,
Cn1ncc([N+](=O)[O-])c1C(=O)N1CCOCC1,CID739551,,,,,,,,,,,,,,0.0,,,
Cc1nn(C)c(C(=O)N2CCOCC2)c1Cl,CID1236013,,,,,,,,,,,,,,,0.0,,
Cn1ncc(Cl)c1C(=O)N1CCOCC1,CID6470292,,,,,,,,,,,,,,,0.0,,
O=C(CN1CCN(C(=O)c2cccc(F)c2)CC1)Nc1ccccc1F,CID3243852,,0.0,,,,,,,,,,,,,,,0.0
O=C(CN1CCN(C(=O)c2c(F)cccc2F)CC1)Nc1ccccc1F,CID3238032,0.0,,,,0.0,,,,,,,,,,,0.0,0.0
O=C(CN1CCN(C(=O)c2ccccc2F)CC1)Nc1ccc(Br)cc1,CID3240338,0.0,,,,,,,,,,0.0,,,,,0.0,0.0
Cn1c(=O)c2c(nc(N3CCCCCC3)n2CC(=O)c2ccc(Br)cc2)n(C)c1=O,CID3237262,0.0,,,,,,0.0,,0.0,,,,,,,,
Cn1c(=O)c2c(nc(N3CCCCCC3)n2CC(=O)c2ccccc2)n(C)c1=O,CID645616,,,0.0,,,,,,,,,,,,,,
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCCC1)n2CC(=O)c1ccccc1,CID646684,0.0,,,0.0,,0.0,,0.0,,,,,,,,,
Oc1ccc(-c2nc3ncccn3c2Nc2ccc3c(c2)OCCO3)cc1,CID3241402,,0.0,,,,,,0.0,,,,,,,,,0.0
COc1ccc(-c2nc3ncccn3c2Nc2ccc3c(c2)OCCO3)cc1,CID3242634,,,,,,,0.0,,,,0.0,,0.0,,,,0.0
Cc1ccc(-c2nc3ncccn3c2Nc2ccc3c(c2)OCCO3)cc1,CID4137774,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC(=O)C(c2ccc(C)cc2)N(C)C(=O)c2cnccn2)cc1,CID3240157,,,,,,,,,0.0,,,,0.0,,,,0.0
COc1ccc(NC(=O)C(c2ccccc2)N(C)C(=O)c2cnccn2)cc1,CID3240701,,0.0,,,,,,,,,0.0,,,,,,
COc1ccc(NC(=O)C(c2ccc(OC)cc2)N(C)C(=O)c2cnccn2)cc1,CID3244455,,0.0,,,,,,,,,,,,,,,
Cc1cc(C(=O)OCC(=O)N2CCC(C)CC2)c(C)o1,CID2646373,,,0.0,,,,,0.0,0.0,0.0,0.0,,,,0.0,0.0,
Cc1cc(C(=O)OCC(=O)N2C(C)CCCC2C)c(C)o1,CID2999073,,,,,,,0.0,0.0,,,,0.0,,,,,
Cc1cc(C(=O)OCC(=O)N2CC(C)CC(C)C2)c(C)o1,CID2998979,,,,0.0,,0.0,,0.0,,0.0,,,,,,,0.0
CCOC(=O)c1c(NC(=O)c2ccc(Br)o2)sc2c1CCCC2,CID1100907,0.0,,,,,,,,,,0.0,,,,,,0.0
CCOC(=O)c1c(NC(=O)c2ccco2)sc2c1CCCC2,CID721497,,,,,0.0,,0.0,,,,,,,0.0,,,
CC(C)OC(=O)c1c(NC(=O)c2ccco2)sc2c1CCCC2,CID673536,,,,,,,,,,,,,,0.0,,,
Cc1noc(C)c1CSc1nc2ccccc2c(=O)n1-c1ccccc1,CID2373306,0.0,,,,0.0,0.0,0.0,,,,,,,,,,0.0
Cc1noc(C)c1CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1,CID2371694,,,,,,,,,,0.0,,0.0,,,,,
Cc1noc(C)c1CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F,CID2371696,0.0,,,,0.0,,,0.0,,,,,,,,,
CCC(c1nnnn1Cc1cccs1)N1CCN(c2nc3ccccc3s2)CC1,CID653717,,,,0.0,,,,,,,0.0,,,,,,0.0
CCCC(c1nnnn1Cc1cccs1)N1CCN(c2nc3ccccc3s2)CC1,CID647731,,,,0.0,,,0.0,,,,0.0,0.0,,,,,
c1csc(Cn2nnnc2CN2CCN(c3nc4ccccc4s3)CC2)c1,CID650572,,,,0.0,,0.0,,,,0.0,,0.0,,,,,
CCOC(=O)C1(Cc2ccccc2)NC(c2ccccc2F)C2C(=O)N(CC)C(=O)C21,CID649253,,,,,,,,,,,,,0.0,,,,
CCN1C(=O)C2C(c3ccccc3F)NC(Cc3ccc(O)cc3)(C(=O)OC)C2C1=O,CID652474,,,,,,,,,,,,,0.0,,,,0.0
CCOC(=O)C1(Cc2ccc(O)cc2)NC(c2ccccc2F)C2C(=O)N(C)C(=O)C21,CID656054,,,0.0,0.0,,,,,,,,,,,,0.0,
CCCCc1nc2sc3c(SCC(=O)NCc4ccco4)ncnc3c2c2c1CCC2,CID1943710,,,,,,,,,,0.0,,,,,,,
CCCc1nc2sc3c(SCC(=O)NCc4ccco4)ncnc3c2c2c1CCC2,CID663742,,,,,0.0,,0.0,,,,,,,,,,0.0
CC(C)c1nc2sc3c(SCC(=O)NCc4ccco4)ncnc3c2c2c1CCC2,CID664182,,,,,,0.0,0.0,,,0.0,,,,,,,
CC1=C(C(=O)Nc2ccccn2)C(c2ccc(F)cc2)N2NC=NC2=N1,CID5742488,,,0.0,,,,,,,,,,,,,,
CC1=C(C(=O)Nc2ccccn2)C(c2ccccc2)N2NC=NC2=N1,CID5771400,,,,,,,,,,,0.0,,0.0,,,,
COc1ccc(C2C(C(=O)Nc3ccccn3)=C(C)N=C3N=CNN32)c(OC)c1,CID5309936,,,,0.0,,,,,,,,,0.0,,,,
CNc1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1,CID2438769,,,,,,,,,,,,,,0.0,,,
Nc1ccc(-c2sc(N)nc2-c2ccccc2)cc1,CID622549,,,,,,0.0,,,,,,,,,,,
Nc1nc(-c2ccccc2)c(-c2ccccc2)s1,CID73222,,,,,,0.0,,,,,,,,,,,
Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)NCc1cccnc1,CID1082045,,,,,,,,,0.0,,,0.0,,,,,
Cc1c(Br)c([N+](=O)[O-])nn1C(C)C(=O)NCc1cccnc1,CID2982813,,,,,,,,,0.0,,,0.0,,,,,
Cc1c([N+](=O)[O-])c([N+](=O)[O-])nn1CC(=O)NCc1cccnc1,CID2857477,,,,,,,,,,,,,,0.0,,,
CC(=O)c1c(C)oc(C)c1CSCc1ccc(C(=O)O)o1,CID602926,,,0.0,0.0,,,,,0.0,,,0.0,,,,,
Cc1cc(C(=O)O)c(CSCc2cc(C(=O)O)oc2C)o1,CID677673,,,,,,,,,0.0,,,0.0,,0.0,,,
Cc1oc(C(=O)O)cc1CSCc1cc(C(=O)O)c(C)o1,CID877361,,,,,,,,,0.0,0.0,,0.0,0.0,0.0,,,
CCOc1ccc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1,CID652073,0.0,,,,,,,0.0,,0.0,,,,,,,
O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)c2ccc(F)cc2)CC1,CID652859,,,0.0,,,,,,,0.0,,,,,,,
O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)c2ccc(F)c(F)c2)CC1,CID654964,,,,,,,,0.0,,,,,,,,,0.0
O=C(O)CSc1nnc(CNc2ccc(Cl)cc2)n1Cc1ccccc1,CID652078,0.0,0.0,,0.0,0.0,,,,,,,0.0,,,,,0.0
CC(C)OC(=O)CSc1nnc(CNc2ccc(Cl)cc2)n1Cc1ccccc1,CID1151937,,,,,,,,,,,0.0,0.0,,,,,
COC(=O)CSc1nnc(CNc2ccc(Cl)cc2)n1Cc1ccccc1,CID645914,,0.0,,0.0,0.0,0.0,,,,,0.0,0.0,0.0,,,0.0,0.0
Cc1ccc(CNC(=O)CCCn2c(=O)[nH]c3ccccc3c2=O)cc1,CID3243955,0.0,0.0,,0.0,0.0,,,,,,,,,,0.0,,
CCOc1cc2[nH]c(=O)n(CCCC(=O)NCc3ccc(OC)cc3)c(=O)c2cc1OCC,CID3418920,,,,,,0.0,,,,,,,,,,,
CN(Cc1ccccc1)C(=O)CCCn1c(=O)[nH]c2cc(Cl)ccc2c1=O,CID3240301,0.0,,0.0,0.0,,0.0,0.0,,,0.0,,,,,,0.0,0.0
c1ccc(-c2nnc3sc(CN4CCC5(CC4)OCCO5)cn23)cc1,CID3243954,0.0,0.0,0.0,,0.0,,,,,,,,,,,,0.0
Brc1cccc(-c2nnc3sc(CN4CCC5(CC4)OCCO5)cn23)c1,CID3235896,0.0,,,,,,0.0,,,,,,,,,0.0,
Brc1ccc(-c2nnc3sc(CN4CCC5(CC4)OCCO5)cn23)cc1,CID3245940,0.0,,,,,,,,,,,,,,,,
Cn1c(=O)c2c(nc(Oc3ccc4c(c3)OCO4)n2Cc2ccc(Cl)cc2)n(C)c1=O,CID1307809,,,,0.0,,,,,,,,,0.0,,,,
Cn1c(=O)c2c(nc(Oc3ccc4c(c3)OCO4)n2Cc2ccc(F)cc2)n(C)c1=O,CID658931,,,0.0,,,,,,,,,,,,,,
Cn1c(=O)c2c(nc(Oc3ccc4c(c3)OCO4)n2Cc2ccc(Br)cc2)n(C)c1=O,CID659202,0.0,,,,,,0.0,,0.0,,0.0,,,,,,0.0
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)C2CCCCC2)cc1,CID1072966,,,,,,,,,,0.0,,,,,,,
O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)NCc1ccco1,CID1072972,,,,,,,,,,0.0,0.0,,,0.0,,,
COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)C2CCCCC2)cc1OC,CID649328,,,0.0,,0.0,,,,,0.0,0.0,,,,,0.0,0.0
Cc1cc(C)c2cc(CN(CCO)Cc3nnnn3Cc3ccc(F)cc3)c(=O)[nH]c2c1,CID645858,,,0.0,,,,,,,,,,,,,0.0,
Cc1cc(C)c2cc(CN(CCO)C(c3nnnn3Cc3ccc(F)cc3)C(C)C)c(=O)[nH]c2c1,CID648076,,,,,,,,,,0.0,,,0.0,,,,0.0
Cc1cc(C)c2cc(CN(CCO)Cc3nnnn3Cc3ccccc3)c(=O)[nH]c2c1,CID648352,,0.0,0.0,,,,,,,,0.0,,,,,,
CC(C)CC1C(C#N)=C(N)Oc2n[nH]c(-c3cccs3)c21,CID2961889,,,,,,,,,,0.0,,,,,,,
CSCCC1C(C#N)=C(N)Oc2n[nH]c(-c3cccs3)c21,CID3239805,,,,,0.0,,,,,0.0,,,0.0,,,,
CC(C)C1C(C#N)=C(N)Oc2n[nH]c(-c3cccs3)c21,CID652353,0.0,,,,,,,,,0.0,0.0,,,,,,0.0
CSC1=C(C#N)C2(CCCC2)C(C#N)=C(N)N1,CID657853,,,,,,,,,,,0.0,,,,,,
CCSC1=C(C#N)C2(CCCC2)C(C#N)=C(N)N1,CID644692,,0.0,,0.0,,,,,,0.0,,,0.0,,,,
N#CC1=C(N)NC(SCC(=O)O)=C(C#N)C12CCCC2,CID657962,,,,,,,,,,0.0,,,,,,,
O=c1oc(-c2cccc(Cl)c2)nc2c1cnn2-c1ccccc1,CID690934,,,,,,,,,,,0.0,,,,,,
O=c1oc(-c2ccccc2)nc2c1cnn2-c1ccccc1,CID692942,0.0,,,0.0,,,,,,,0.0,,,,0.0,,
Cc1ccc(-c2nc3c(cnn3-c3ccccc3)c(=O)o2)cc1,CID722801,,,,,,,,,0.0,,,,,,,,
CC(=O)c1ccc(OCCCC(=O)n2nnc3ccccc32)cc1,CID2087132,,,,,,,,0.0,0.0,,,,,0.0,0.0,,
O=C(CCCOc1ccc(Cl)cc1Cl)n1nnc2ccccc21,CID1731566,,,,,,,,,,,,,,0.0,,,
O=C(CCCOc1ccccc1)n1nnc2ccccc21,CID2288823,0.0,0.0,0.0,0.0,,0.0,,,0.0,,,0.0,0.0,,,,
CC(C)COc1ccc(/C=C2/Sc3ccccc3C2=O)cc1,CID805820,,,,,,0.0,,,,,,,,,,,
COc1ccc(/C=C2/Sc3ccccc3C2=O)cc1,CID722492,,,,,,0.0,,,,,,,,,,,
COc1ccc(OC)c(/C=C2/Sc3ccccc3C2=O)c1,CID673767,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(NC(=O)C2=C(C)C(=O)OC23CCC(C)CC3)cc1,CID9550778,,,,,,,,,,,0.0,,,,,,
COc1ccc(NC(=O)C2=C(C)C(=O)OC23CCC(C)CC3)c(OC)c1,CID5309320,,,,,,,,,,,,,,,,0.0,
COc1ccc(NC(=O)C2=C(C)C(=O)OC23CCC(C)CC3)cc1Cl,CID9551327,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1c(C)c(C(=O)N(C)C2CCCCC2)c(C)n1C,CID3240472,0.0,,,,0.0,,,0.0,,,,,0.0,,,,0.0
CCOC(=O)c1c(C)c(C(=O)NC2CCCCC2)c(C)n1CC,CID3245740,0.0,,,,0.0,,,,,,,,,,,,
CCN(CC)CCCNC(=O)c1[nH]c(C)c(C(=O)NC2CCCCC2)c1C,CID9550580,,,,,,,,,,,,0.0,,,,,
Cc1cccc(N2CCN(C(=O)C(NS(=O)(=O)c3cccs3)c3ccccc3)CC2)c1C,CID9551079,,,,,,,,,,0.0,0.0,,,,,,
O=C(C(NS(=O)(=O)c1cccs1)c1ccccc1)N1CCN(c2ccccc2)CC1,CID3239068,,,0.0,,,,,,,0.0,,0.0,,,,,
COc1ccccc1N1CCN(C(=O)C(NS(=O)(=O)c2cccs2)c2ccccc2)CC1,CID3242379,,0.0,,,,,,,,,0.0,,,,,,
CCOC(=O)c1cc2sccc2n1CC(=O)N1CCc2ccccc21,CID648405,,,,,,,0.0,,,,,0.0,,0.0,,,0.0
CCOC(=O)c1cc2sc(C)cc2n1CC(=O)N1CCc2ccccc21,CID651808,,,0.0,,,,,,,,0.0,,,0.0,,,0.0
CCOC(=O)c1cc2sccc2n1CC(=O)N1c2ccccc2CC1C,CID650283,,,,,,,0.0,,0.0,,,0.0,,0.0,,,0.0
Cn1c(SCC(=O)NCc2ccco2)nc2ccccc2c1=O,CID648409,,,,,,0.0,,,0.0,0.0,0.0,,,,,0.0,0.0
CC(=O)NCCn1c(SCC(=O)NCc2ccco2)nc2ccccc2c1=O,CID3242840,,,0.0,,,,0.0,,0.0,,,,,,,0.0,
CCCCn1c(SCC(=O)NCc2ccco2)nc2ccccc2c1=O,CID3181415,,,,,,0.0,,,,,,,,,,,
Cc1cc(C)c([N+](=O)[O-])cc1-c1ccc(/C=N/c2c(-c3ccco3)nc3ccccn23)o1,CID1040466,,,,,,,,,,,,0.0,,,,,
O=[N+]([O-])c1ccc(Cl)c(-c2ccc(/C=N/c3c(-c4ccco4)nc4ccccn34)o2)c1,CID1040419,,,,,,0.0,,,,,,,,,,,
O=[N+]([O-])c1ccc(-c2ccc(/C=N/c3c(-c4ccco4)nc4ccccn34)o2)cc1,CID1014639,,,,,,,,,,,,0.0,,,,,
Cc1cc(-c2nnc(SCC(=O)c3ccc(F)cc3)o2)no1,CID1830144,,,,,,,,,,,,,,0.0,0.0,,
Cc1cc(-c2nnc(SCC(=O)c3ccc(Cl)cc3)o2)no1,CID1941171,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)CSc2nnc(-c3cc(C)on3)o2)cc1,CID1945951,,,,,,,,,,,,,,0.0,,,
CCc1ccc(NCc2cc3c(C)[nH]n(-c4ccccc4)c-3nc2=O)cc1,CID1449973,,,,,,,,,,,,0.0,,,,,
CCOc1cccc(NCc2cc3c(C(C)(C)C)[nH]n(-c4ccccc4)c-3nc2=O)c1,CID2064403,,,,,,,,,,,0.0,0.0,,,,,
CCOc1ccc(NCc2cc3c(C(C)(C)C)[nH]n(-c4ccccc4)c-3nc2=O)cc1,CID2064400,,,,,,,,,,,,0.0,,,,,
N#Cc1c(N)c(C(=O)c2ccccc2)n2c1CCC2,CID741280,,0.0,,,,,0.0,,,,,0.0,,0.0,,,
N#Cc1c(N)c(C(=O)c2ccc(Cl)cc2)n2c1CCC2,CID657738,0.0,0.0,0.0,,,,,,,0.0,,0.0,,,0.0,0.0,0.0
N#Cc1c(N)c(C(=O)c2ccc(Br)cc2)n2c1CCC2,CID750242,0.0,,,,,,0.0,,0.0,,0.0,0.0,,,0.0,0.0,0.0
CCc1ccc(S(=O)(=O)NCc2cn3cccc(C)c3n2)s1,CID3239054,0.0,0.0,,,0.0,,,,,,,,,,,,
CCc1ccc(S(=O)(=O)NCc2cn3ccccc3n2)s1,CID3237141,0.0,0.0,0.0,,0.0,,0.0,,0.0,,0.0,0.0,,,,,
Cc1ccn2cc(CNS(=O)(=O)c3ccc(Cl)s3)nc2c1,CID5310570,,,0.0,,,,,,,,,,,,,0.0,
CCN(CC(O)Cn1c2ccccc2c2ccccc21)S(=O)(=O)c1ccc(F)cc1,CID2937173,,,,,,,,,,,,,,,0.0,,
O=S(=O)(c1ccc(F)cc1)N(CCO)CC(O)Cn1c2ccccc2c2ccccc21,CID2938841,,,,,,,0.0,,,,,,0.0,,,,0.0
Cc1ccc(S(=O)(=O)N(C)CC(O)Cn2c3ccccc3c3ccccc32)cc1,CID2870232,,,,,,,,,,,0.0,,,,,,
O=C(CCCC(=O)N(CC(=O)NC1CCCC1)Cc1ccccc1Cl)Nc1ccccn1,CID651036,0.0,,,,0.0,,0.0,,,,,,0.0,,,,
O=C(CCCC(=O)N(CC(=O)NC1CCCC1)Cc1ccccc1)Nc1ccccn1,CID653349,,,0.0,,,0.0,0.0,,,,0.0,0.0,0.0,,,,0.0
O=C(CCCC(=O)N(CC(=O)NC1CCCC1)Cc1ccc(F)cc1)Nc1ccccn1,CID646044,,,0.0,,,,,,,,,,,,,,0.0
O=C(NNS(=O)(=O)c1cc(Cl)cc(Cl)c1)c1sccc1-n1cccc1,CID4594452,,,,,,,,,,,,,,0.0,,,
O=C(NNS(=O)(=O)c1ccccc1F)c1sccc1-n1cccc1,CID3798902,,,,,,,,,,,,,,,0.0,,
O=C(NNS(=O)(=O)c1ccccc1)c1sccc1-n1cccc1,CID3780367,,,,,,0.0,,,,,,,,,,,
O=c1nc(CN2CCN(c3ccccc3)CC2)[nH]c2ccccc12,CID63399,,,,,,,,0.0,,,0.0,0.0,,,,,
COc1cccc(N2CCN(Cc3nc(=O)c4ccccc4[nH]3)CC2)c1,CID2053484,0.0,0.0,0.0,,,,,0.0,,,0.0,,0.0,,,,0.0
COc1ccc(N2CCN(Cc3nc(=O)c4ccccc4[nH]3)CC2)cc1,CID1315284,0.0,,0.0,,,,0.0,0.0,,0.0,,,,,,,0.0
CN1C(=O)C(O)(CC(=O)c2ccccn2)c2cc(Br)ccc21,CID2934407,0.0,,,,,,0.0,,0.0,,0.0,0.0,,,,,0.0
CCN1C(=O)C(O)(CC(=O)c2ccccn2)c2ccccc21,CID2951247,,,,,,,,,,0.0,,,,,,,
CCOC(=O)CN1C(=O)C(O)(CC(=O)c2ccccn2)c2ccccc21,CID2927588,,,,,,0.0,0.0,,,,,,0.0,,,,0.0
CCCOc1ccc(Cc2c(COCC)[nH]c(=S)[nH]c2=O)cc1,CID1959629,,,,,,,,,,,,,,0.0,,,
CC(=O)c1ccc(OC(C)C)c(Cc2c(O)[nH]c(=S)[nH]c2=O)c1,CID817048,,,,,,,,,,,,,,0.0,,,
Cc1[nH]c(=S)[nH]c(=O)c1Cc1ccccc1,CID697326,,0.0,,0.0,0.0,,,,,,,,,,,,0.0
CC1(C)SCC(C(=O)O)N1C=O,CID2786994,,,,,,,,,,,,0.0,,,,,
CCCCCCC1NC(C(=O)O)CS1,CID583513,,,,,,,,,,,,,,,0.0,,
CC(=O)N1CSCC1C(=O)O,CID98928,,,,,,,0.0,,,,,,,,,,
COc1ccc(C(c2nnnn2C(C)(C)C)N2CCN(C)CC2)cc1OC,CID656112,,0.0,0.0,,,0.0,,,,0.0,,,,,,,0.0
COc1cc(C(c2nnnn2C(C)(C)C)N2CCN(C)CC2)cc(OC)c1OC,CID651623,0.0,0.0,0.0,,,,,,,0.0,,0.0,,,,,
CC(C)CCn1nnnc1C(c1ccccc1)N1CCN(C)CC1,CID644399,,,,0.0,,,0.0,,,,,,,,,,
CCOc1ccc(OCC)c(NC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)c1,CID3242372,,0.0,,,0.0,0.0,,,,,0.0,,,,,,
Cc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)cc1,CID3240002,,,,,0.0,0.0,0.0,,,0.0,0.0,,,,,,
COc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)cc1OC,CID4094700,,,,,,0.0,,,,,,,,,,,
CCOc1cc(-c2nc3ccccn3c2NCC2CCCO2)ccc1O,CID646357,0.0,0.0,,0.0,,,,,0.0,,0.0,0.0,,,,,
COc1cc(-c2nc3ccccn3c2NCC2CCCO2)ccc1O,CID655902,0.0,0.0,,,,,,,0.0,,,0.0,,,,,
CCOc1cc(-c2nc3cc(C)ccn3c2NCC2CCCO2)ccc1O,CID649726,0.0,,,,,0.0,,,,,0.0,0.0,,,,,0.0
CCOC(=O)N1CCC(n2c(=S)[nH]c3cc(OC)c(OC)cc3c2=O)CC1,CID3240531,,,,,,,,0.0,0.0,,,,,,,0.0,0.0
CCOC(=O)N1CCC(n2c(=S)[nH]c3ccccc3c2=O)CC1,CID807158,,,,,,,,,0.0,,,,,,,,
CCOC(=O)N1CCC(n2c(=S)[nH]c3cc(OCC)c(OCC)cc3c2=O)CC1,CID3237801,,,,,0.0,,,,,,,,,,,,
Cc1ccccc1-c1ccc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)o1,CID1180684,0.0,,0.0,0.0,,0.0,0.0,0.0,,,,,,,,,
Cc1c(/N=C/c2ccc(-c3ccc(Cl)cc3)o2)c(=O)n(-c2ccccc2)n1C,CID649936,0.0,,,,,0.0,,,,,,,0.0,,,,0.0
Cc1cccc(-c2ccc(/C=N/c3c(C)n(C)n(-c4ccccc4)c3=O)o2)c1,CID650314,,,,,,,,,,,,0.0,,,,,0.0
O=C(COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)Nc1ccccc1OC(F)F,CID2402313,,,,,,,,,,,,,,,,,0.0
COc1cccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)c1,CID2116834,,,,,,,,,,,,0.0,,0.0,0.0,,
COc1ccccc1NC(=O)COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1,CID2115978,,,,,0.0,,,,,,0.0,0.0,0.0,,,,
CC1CCCN(C(=O)Nc2cccc(NC(=O)N3CCCC(C)C3C)c2)C1C,CID650683,,0.0,0.0,,,0.0,,,,,,,,,,,
CCC1CCCCN1C(=O)Nc1cccc(NC(=O)N2CCCCC2CC)c1,CID660678,,0.0,0.0,,,,,0.0,,0.0,,,,,,,0.0
CC1CCN(C(=O)Nc2cccc(NC(=O)N3CCC(C)CC3)c2)CC1,CID653787,,,0.0,0.0,,0.0,,,,,0.0,0.0,0.0,,,,0.0
COc1cc(OC)cc(-c2nnc(SCc3cccnc3)o2)c1,CID650688,0.0,,,,0.0,,0.0,,,,0.0,,,0.0,,0.0,0.0
COc1cccc(-c2nnc(SCc3cccnc3)o2)c1,CID647696,0.0,0.0,,0.0,0.0,,0.0,,,,,,,0.0,,0.0,0.0
COc1ccc(-c2nnc(SCc3cccnc3)o2)cc1,CID3186457,,,,,,,,,,,0.0,,,0.0,,,
C=CCn1c(Cc2c[nH]c3ccccc23)nnc1SCC(=O)NCc1ccccc1,CID1047097,,,,,,0.0,,,,,0.0,,,,,,
CCn1c(Cc2c(C)[nH]c3ccccc23)nnc1SCC(=O)NCc1ccccc1,CID1094857,,,,,,0.0,,,,0.0,,,,,,,
C=CCn1c(Cc2c(C)[nH]c3ccccc23)nnc1SCC(=O)NCc1ccc(F)cc1,CID1094856,,,,,,,,,,0.0,,,,,,,
O=C(Nc1ccc(Cl)cc1)c1ccc2nsnc2c1,CID773427,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccccc1)c1ccc2nsnc2c1,CID684852,,,,,,,,,,,,,,,0.0,,
Cc1cccc(NC(=O)c2ccc3nsnc3c2)c1C,CID675325,,,,,,,,,,,,,,,0.0,,
O=C(c1cccn2c(=O)c3ccc(Cl)cc3nc12)N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID3237559,,,,,,,,,,,,,0.0,,,,
O=C(c1cccn2c(=O)c3ccccc3nc12)N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID3245071,,0.0,0.0,,,0.0,,,,,,,,,,,
O=C(c1cccn2c(=O)c3cc(Cl)ccc3nc12)N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID3242513,,,,,,,,,,,,,0.0,,,,0.0
CN1CCN(Cc2c(C#N)c3ccccc3n2C)CC1,CID607443,,,,,,,,,,,,,0.0,,,,
CCOC(=O)c1c(CN2CCN(CCO)CC2)n(C)c2cc(Br)c(OC)cc12,CID663896,0.0,,,,,,0.0,,0.0,,,,,,,0.0,0.0
CCOC(=O)c1c(CN2CCN(C)CC2)n(C)c2cc(Br)c(OC)cc12,CID567572,0.0,,,,,,,,0.0,,,,,,0.0,,
COc1ccc(-c2nnc3sc(C(C)N4C(=O)c5ccccc5C4=O)nn23)cc1,CID4246341,0.0,,,,0.0,,0.0,,,,,,,,,,
O=C1c2ccccc2C(=O)N1Cc1nn2c(-c3ccc(Cl)cc3)nnc2s1,CID661657,0.0,0.0,0.0,,0.0,,,,,,,,,,,,
COc1ccc(-c2nnc3sc(CN4C(=O)c5ccccc5C4=O)nn23)cc1,CID661514,0.0,0.0,,,0.0,,,0.0,,,,,,,,0.0,
COc1ccc(OC)c(CCNC(=O)C2CCN(c3nnc(-n4cccc4)s3)CC2)c1,CID5307895,0.0,,,,,,,,,,,,,,,0.0,
CCOc1ccc(CCNC(=O)C2CCN(c3nnc(-n4cccc4)s3)CC2)cc1OCC,CID3243026,0.0,0.0,,0.0,,,,,,,,,,,,,0.0
CCOc1ccc(CCNC(=O)C2CCN(c3nnc(-n4cccc4)s3)CC2)cc1,CID9551383,,,,,,,,,,0.0,,,,,,,
COc1cc2c3nnc(-c4ccccc4)c-3cn(Cc3ccc(F)cc3)c2cc1OC,CID2136908,,,,,,,,,,,,,,,0.0,,
COc1cc2c3nnc(-c4ccc(F)cc4)c-3cn(Cc3cccc(C)c3)c2cc1OC,CID2136917,,,,,,,,,,0.0,,0.0,,,,,
COc1ccc(Cn2cc3c(-c4ccc(F)cc4)nnc-3c3cc(OC)c(OC)cc32)cc1,CID2136935,,,,,,,,,,0.0,,0.0,,,,,
COc1ccc(OC)c(N2C(=O)C(Cl)=C(N3CCCCC3)C2=O)c1,CID1379247,,,0.0,0.0,,,,,,,,,0.0,,,1.0,0.0
O=C1C(Cl)=C(N2CCCCC2)C(=O)N1c1ccccc1Cl,CID779311,0.0,,0.0,,,,,,,,,,,,,0.0,
O=C1C(Cl)=C(N2CCCCC2)C(=O)N1c1ccccc1,CID779239,0.0,,0.0,0.0,,0.0,,,,0.0,,,,0.0,,0.0,0.0
CC(C)C(OC(=O)c1cccs1)C(=O)NCc1cccs1,CID654357,,,,0.0,,0.0,0.0,,,0.0,,,0.0,0.0,0.0,,
CC(OC(=O)c1cccs1)C(=O)NCc1cccs1,CID648929,,,0.0,,,0.0,,,,0.0,,,,,,,
CC(C)CC(OC(=O)c1cccs1)C(=O)NCc1cccs1,CID646585,,,,0.0,,,0.0,,,,,,0.0,0.0,,,
O=C(CSc1nc2ccccc2o1)N1CCN(c2ccc(Cl)cc2)CC1,CID2203038,,0.0,0.0,0.0,0.0,,,,,,0.0,0.0,,,,,0.0
O=C(CSc1nc2ccccc2o1)N1CCN(c2ccccc2)CC1,CID1094264,,0.0,,,0.0,,,,,,,,0.0,,,0.0,
COc1ccccc1N1CCN(C(=O)CSc2nc3ccccc3o2)CC1,CID2975895,,,,,,,,,,,0.0,,,,,,
COc1ccc(CCN2CNc3c(c(=O)n(C)c(=O)n3C)C2)cc1,CID648010,,0.0,0.0,,,,,,0.0,,,,,,,,
Cn1c2c(c(=O)n(C)c1=O)CN(CCc1ccccc1)CN2,CID695630,,,,,,,,,,,,0.0,,,,,
COc1ccc(CCN2CNc3c(c(=O)n(C)c(=O)n3C)C2)cc1OC,CID651760,,,,,,,,0.0,,,0.0,,0.0,,,0.0,
Cc1ccc(NC2=NC(C(=O)Nc3ccc(C)c(C)c3)CC(=O)N2)cc1,CID2952911,0.0,,,,,,,,0.0,,,,,,,,0.0
Cc1ccc(NC(=O)C2CC(=O)NC(Nc3cccc(C)c3)=N2)cc1,CID2968952,,0.0,0.0,,,,,0.0,0.0,,,,0.0,,,0.0,
COc1ccc(NC(=O)C2CC(=O)NC(Nc3cccc(C)c3)=N2)cc1,CID2983073,0.0,,,,,,,0.0,0.0,0.0,0.0,,,,,,0.0
CCCn1cc(NC(=O)c2cc(-c3ccccc3)on2)cn1,CID2226429,,,,,,,,,,,,,,,0.0,,
Cc1ccc(-c2cc(C(=O)Nc3cnn(C(C)C)c3)no2)cc1,CID1093814,,,,,,,,,,,0.0,0.0,,,0.0,,
CC(C)n1cc(NC(=O)c2cc(-c3ccccc3)on2)cn1,CID1093761,,,,,,0.0,,,,,0.0,,,,0.0,,
CCOC(=O)c1ccc(Nc2cc(C)nc(N3CCOCC3)n2)cc1,CID659609,,,,0.0,,,0.0,0.0,,,,,,,,,
COc1ccc(Nc2cc(C)nc(N3CCOCC3)n2)cc1,CID659574,,0.0,0.0,,,0.0,,0.0,,,,,,0.0,0.0,,
CCOc1ccc(Nc2cc(C)nc(N3CCOCC3)n2)cc1,CID659632,,0.0,,,,,,,,,,,,,,,
CCOC(=O)N1CCN(C(=O)c2cc3c(ccc4ccccc43)oc2=O)CC1,CID659602,,0.0,,,,,,,,,,0.0,,,0.0,,
O=C(c1cc2c(ccc3ccccc32)oc1=O)N1CCN(CCO)CC1,CID1263064,0.0,,,,,,,,,,,,0.0,,,,
CN1CCN(C(=O)c2cc3c(ccc4ccccc43)oc2=O)CC1,CID659925,,,,,0.0,0.0,,0.0,,0.0,,,0.0,,,,0.0
CC(C)C1Cc2c(C#N)c(N)sc(=S)c2CO1,CID659605,,,,,,,0.0,,,0.0,,,,,,,
CCC1(C)Cc2c(C#N)c(N)sc(=S)c2CO1,CID662578,,,,,,,0.0,,,0.0,,,,,,,
CC1(C)Cc2c(C#N)c(N)sc(=S)c2CO1,CID750317,,,0.0,,,,0.0,,,,,,0.0,,,,
O=C(NCc1ccco1)c1ccccc1NS(=O)(=O)c1ccc(Br)s1,CID1006779,,,,,,,,,0.0,,0.0,,,,,,
O=C(NCc1ccco1)c1ccccc1NS(=O)(=O)c1ccc(Cl)s1,CID2099103,,,,,,,,,0.0,,,,,,0.0,,
O=C(NCc1ccco1)c1ccccc1NS(=O)(=O)c1cccs1,CID1022000,,,,0.0,0.0,,0.0,,,0.0,0.0,,0.0,,0.0,,
Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)NCc1cccs1)c1ccc(C(C)C)cc1,CID5307135,,,,0.0,,,,,,,,,,,,,
COc1ccc(N(CC(=O)NCc2cccs2)S(=O)(=O)c2c(C)nn(C)c2C)cc1,CID5308028,,0.0,,0.0,,,,,,,,,,,,0.0,
COc1ccc(N(CC(=O)NCc2cccs2)S(=O)(=O)c2c(C)n[nH]c2C)cc1,CID3242480,,0.0,,0.0,0.0,0.0,,,0.0,,0.0,,,0.0,,,0.0
COc1ccc(NC(=O)CC(Cc2ccccc2)C(=O)O)cc1,CID650723,,,,,,,0.0,,,,0.0,0.0,,,,0.0,
CN(C)c1ccc(NC(=O)CCCc2ccccc2)cc1,CID885979,,,,,0.0,,0.0,0.0,,0.0,,,,,,0.0,
COc1ccc(OC)c(NC(=O)CC(Cc2ccccc2OC)C(=O)O)c1,CID3240529,,,0.0,,,,,0.0,,,,,0.0,,0.0,,
CCOc1ccc2cc(C#N)c(SCC(=O)N3CCOCC3)nc2c1,CID648826,,,,0.0,,,0.0,,0.0,,0.0,,,,,,0.0
COc1ccc2c(C)cc(SCC(=O)N3CCOCC3)nc2c1,CID2087886,,,,0.0,,0.0,,,0.0,,,,,,,,0.0
COc1cc2cc(C)c(SCC(=O)N3CCOCC3)nc2cc1OC,CID653549,,,0.0,,,,,0.0,,,,,,,,,
COC(=O)c1ccc(S(=O)(=O)NNC(=O)COc2ccc(C)cc2)cc1,CID1149716,,,,,,,,,,,,,,0.0,,,
CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)COc2cccc(C)c2)cc1,CID1225174,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1ccc(S(=O)(=O)NNC(=O)COc2cccc(C)c2)cc1,CID1149724,,,,,,,,,,,,,,0.0,,,
CC(=O)c1cc(C(=O)c2ccccc2)sc1Nc1ccccc1,CID867792,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)c2cc(C(C)=O)c(Nc3ccccc3)s2)cc1,CID1102807,,,,,,,,,,,,,,0.0,,,
N#Cc1c(Nc2ccccc2)sc(C(=O)c2ccccc2)c1N,CID1479382,,,,,,,,,,,,,,,0.0,,
Cc1ccc(Cn2nc(C)c3cc(C(=O)OCC(N)=O)sc32)cc1,CID2503368,,,,,,,,,0.0,,,,,,,,
Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)OCC(N)=O)cc12,CID2122510,,,,,,,,,,,,0.0,,,,,
Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NC(C)(C)C)cc12,CID2081443,,,,,,,,,,0.0,,,,,,,
NC(=O)c1ccc(-c2ncc(-c3ccccc3)o2)cc1,CID747239,,,,,,,,,,,,0.0,,,,,
CC(=O)/C=C(\C)Nc1ccc(-c2cnc(-c3ccccc3)o2)cc1,CID5310855,,,,,,,,,,,0.0,,,,,,0.0
Clc1ccc(-c2ncc(-c3ccccc3)o2)cc1,CID259758,,,,,,0.0,,,,,,,,,,,
O=C(NC1CCCCC1)C(c1ccccc1)N1CCCC1,CID3237691,,,,,,,,,,0.0,,,,,,,
COC(=O)C1CCCN1C(C(=O)NC1CCCCC1)c1ccc(Cl)cc1,CID4406324,0.0,,,,,,0.0,,,,,,0.0,,,,
Cc1ccc(C(C(=O)NC2CCCCC2)N2CCCC2)cc1,CID3235603,,,,,,,,,,,,,,0.0,,,
O=C(CSc1nnnn1-c1ccc(F)cc1)NC1CCCCC1,CID859398,,,,,0.0,,,,,,0.0,,,,,0.0,0.0
CN(C(=O)CSc1nnnn1-c1ccccc1)C1CCCCC1,CID2999647,0.0,0.0,,,0.0,,0.0,0.0,,,0.0,,,,,,
CC1CCCCC1NC(=O)CSc1nnnn1-c1ccccc1,CID2950345,,0.0,,,0.0,,,0.0,,,,,,,,0.0,
CC(=O)Nc1cc(C(=O)N2CCC3(CC2)OCCO3)ccc1S(=O)(=O)c1ccc(C)cc1,CID3240964,,,0.0,,0.0,,,,,0.0,0.0,,,,,,
CC(=O)Nc1cc(C(=O)N2CCC3(CC2)OCCO3)ccc1S(=O)(=O)c1ccc(Cl)cc1,CID4549290,,,,,,,,,,,0.0,,,,,,
CCC(=O)Nc1cc(C(=O)N2CCC3(CC2)OCCO3)ccc1S(=O)(=O)c1ccc(C)cc1,CID3238222,,,,0.0,0.0,,,0.0,,,,0.0,,,,,
COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)CN(C)C1CCCCC1,CID665129,,,,,,0.0,,,,,,,0.0,,0.0,,
COC(=O)c1[nH]c2ccccc2c1NC(=O)CNC1CCCCC1,CID658526,,,,,,,,0.0,,,,,,,,0.0,
CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CN(C)C1CCCCC1,CID663676,,,0.0,,,,,,,,0.0,,0.0,,,,0.0
COC(=O)c1c(C(=O)OC)c(-c2ccc(C)cc2)n2c1CCC2,CID1473408,,,,,,0.0,,,,,,,,0.0,,,
COC(=O)c1c(C(=O)OC)c(-c2ccccc2)n2c1CCC2,CID1473406,,,,,,,,,,,,,,0.0,,,
COC(=O)c1c(C(=O)OC)c(-c2ccc(Cl)cc2)n2c1CCC2,CID337612,,,,,,0.0,,,,,,,,0.0,,,
COc1cc(OC)cc(C(=O)N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)c1,CID1072100,,,,,,,,,,,,,,0.0,,,
COc1cccc(C(=O)N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)c1OC,CID1148034,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1OC,CID596877,,,,,,,,,,,,,,0.0,,,
CCNc1nc(NC(C)C)nc(OCCNS(=O)(=O)c2cc(C)ccc2C)n1,CID654491,,0.0,,,,,,,,,0.0,,0.0,,,,
CCNc1nc(OCCNS(=O)(=O)c2cc(C)ccc2C)nc(N(C)C)n1,CID2178387,,0.0,,0.0,,,0.0,,,0.0,,,0.0,,0.0,,
CCNc1nc(NCC)nc(OCCNS(=O)(=O)c2cc(C)ccc2C)n1,CID1819219,,,,,,,0.0,,,0.0,,,0.0,,0.0,0.0,
O=C(CCNC(=O)c1ccccc1Cl)Nc1nc(-c2ccc(F)cc2)cs1,CID2493155,,,,,,,,,,,,,,0.0,,,
Cc1ccc(-c2csc(NC(=O)CCNC(=O)c3ccc(Cl)cc3)n2)cc1,CID2576285,,,,,,,,,,,,,,,0.0,,
Cc1ccc(-c2csc(NC(=O)CCNC(=O)c3ccccc3Cl)n2)cc1,CID2484808,,,,,,,,,,,,,,,0.0,,
Cc1ccccc1NC1=NC(=S)N(c2ccccc2)C12CCOC(C)(C)C2,CID3696632,,,,,,0.0,,,,,,,,,,,
Cc1ccc(N2C(=S)N=C(Nc3ccccc3C)C23CCOC(C)(C)C3)cc1,CID3577511,,,,,,0.0,,,,,0.0,,,,,,
Cc1cccc(C)c1NC1=NC(=S)N(c2ccccc2)C12CCOC(C)(C)C2,CID4005418,,,,,,0.0,,,,,0.0,,,,,,
COc1ccc(C2=CC(=O)OC3(CCCC3)O2)cc1,CID752487,,,,,,,,,0.0,,,,,,,,
O=C1C=C(c2ccccc2)OC2(CCCC2)O1,CID3238394,,,,,,,,0.0,0.0,,,,,,,0.0,
O=C1C=C(c2ccc(Cl)cc2)OC2(CCCC2)O1,CID752490,,,,,,,,,,,,,,0.0,,,
CCN(CCNC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccccc1,CID3238016,,,,,,,,0.0,,0.0,,,,,,0.0,
CCN(CCNC(=O)C1CCN(S(=O)(=O)CC)CC1)c1ccccc1,CID3242191,,0.0,0.0,,,,,,,,,,,,0.0,0.0,
CCCS(=O)(=O)N1CCC(C(=O)NCCN(CC)c2ccccc2)CC1,CID3238903,,,,,,,,,,,,,,,0.0,,
COc1ccc(OC)c2sc(N3CCN(c4ccccc4)CC3)nc12,CID3238013,0.0,0.0,0.0,,,,0.0,0.0,,,0.0,,0.0,,,0.0,
Clc1ccc2nc(N3CCN(c4ccccc4)CC3)sc2c1,CID3242197,0.0,0.0,,,0.0,,,,,,0.0,,,,,,
Clc1cccc2sc(N3CCN(c4ccccc4)CC3)nc12,CID3245029,0.0,0.0,,,0.0,,,,,,,,,,,0.0,
Cc1ccc(-n2nnc3c(SCC(=O)NCC4CCCO4)ncnc32)cc1,CID3238888,,0.0,,,0.0,,,,,,0.0,,,,,,
O=C(CSc1ncnc2c1nnn2-c1ccc(F)cc1)NCC1CCCO1,CID3243765,0.0,,,,0.0,,0.0,,,,,,,,0.0,,
COc1ccc(-n2nnc3c(SCC(=O)NCC4CCCO4)ncnc32)cc1,CID3245797,,,,,0.0,,,0.0,,,,,,,,0.0,
COCCCNC(=O)C1CCN(C(=O)c2cc3sccc3n2Cc2ccc(F)cc2)CC1,CID3242030,0.0,,,,0.0,0.0,,0.0,,,,,0.0,,,,0.0
CC(C)NC(=O)C1CCN(C(=O)c2cc3sccc3n2Cc2ccc(F)cc2)CC1,CID3241436,0.0,,,,0.0,0.0,0.0,,,,,,,,,,0.0
CCN(CC)CCCNC(=O)C1CCN(C(=O)c2cc3sccc3n2Cc2ccc(F)cc2)CC1,CID3240053,0.0,,0.0,,,,,,,,,,,,,,
COC(=O)c1cc2sccc2n1CC(=O)N1CCCc2ccccc21,CID3242038,0.0,,0.0,,,,,0.0,,,,,,,,,
CCOC(=O)c1cc2sccc2n1CC(=O)N1CCCc2ccccc21,CID645644,0.0,,,,,,0.0,0.0,,,,0.0,,0.0,,,0.0
COC(=O)c1cc2sc(Cl)cc2n1CC(=O)N1CCCc2ccccc21,CID3240047,0.0,0.0,,,0.0,0.0,,,,0.0,,,,,,,
CCn1ncc(Br)c1C(=O)NC(C)c1ccccc1,CID4442561,,,,,,,,,0.0,,,,,,0.0,,
COc1n[nH]c(C(=O)NCc2ccccc2)c1[N+](=O)[O-],CID841318,,,,,,,,,,,,,,,0.0,,
CCn1ncc(Cl)c1C(=O)NC(C)c1ccccc1,CID2941510,0.0,,0.0,0.0,,,0.0,,,0.0,,,,0.0,0.0,,0.0
CCn1nc(C)c(NC(=O)/C=C/c2ccc(OC)c(COc3ccc(Br)cc3)c2)c1C,CID1001121,,,,,,,,,0.0,,0.0,,,0.0,,,
COc1ccc(/C=C/C(=O)Nc2c(C)nn(C)c2C)cc1COc1ccc(Br)cc1,CID1001138,,,,,,,,,0.0,,,,,,,,
CCn1nc(C)c(NC(=O)/C=C/c2ccc(OC)c(COc3ccc(Cl)cc3Br)c2)c1C,CID6085636,,,,,,,,,,,,0.0,,,,,
CCN(CC)c1ccc(/C=c2\sc3nnc(-c4ccccc4C)n3c2=O)cc1,CID987954,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1-c1nnc2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n12,CID663291,0.0,,,,0.0,,,0.0,0.0,,,,,,,0.0,
CCN(CC)c1ccc(/C=c2\sc3nnc(-c4ccccc4Cl)n3c2=O)cc1,CID2936930,,,,,,,,,,,0.0,0.0,,,,,
CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCN(c4ccccn4)CC3)c21,CID3242818,,,,,,,,,,,,,,,,,0.0
CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)N2CCN(c3ccccn3)CC2)CC1C,CID3239416,,,,,,,,,,,,,,,,0.0,0.0
CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCN(c4ccccn4)CC3)c21,CID3242120,0.0,,,,,,,,0.0,,,,,,,,0.0
COc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N2CCN(c3ccccn3)CC2)o1,CID5308549,,,,,,,,0.0,,,,,,,,0.0,
O=C(c1ccc(CS(=O)(=O)c2cccc(C(F)(F)F)c2)o1)N1CCN(c2ccccn2)CC1,CID3236571,0.0,,,,0.0,,,0.0,,,,,,0.0,,,
COc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCN(c4ccccn4)CC3)o2)cc1,CID5308790,,,,,,,,0.0,,,,,,,,,
CC(C(=O)N1CCc2ccccc21)N1CCc2ccccc2C1,CID3000225,,,,,,,,,,,,0.0,,,,0.0,
COc1cc2c(cc1OC)CN(C(C)C(=O)N1CCc3ccccc31)CC2,CID4881229,,,,,,,,,,0.0,,,,,,,
CC1Cc2ccccc2N1C(=O)CN1CCc2ccccc2C1,CID2999263,,,,,,,,,,0.0,,,,,,0.0,
CCOc1ccc(CCNC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1OCC,CID2176129,,,,,,,,,,,,0.0,,,,,
COc1ccc(CCNC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1OC,CID1076057,,,,,,,,,,,,0.0,,,,,
COc1ccc(CCNC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1,CID1293729,,,,,,,,,,,,,,,0.0,,
Cc1[nH]c2ccccc2c1Cc1nnc(SCC(N)=O)o1,CID823260,,0.0,,,,,0.0,0.0,,0.0,0.0,,,,0.0,,
C=CCSc1nnc(Cc2c(C)[nH]c3ccccc23)o1,CID3436588,,0.0,,,,,,,,,,,0.0,,,0.0,
Cc1[nH]c2ccccc2c1Cc1nnc(SCCC#N)o1,CID9549086,,,,,,,,,,0.0,,,,,,,
COc1ccc(CCNC(=O)c2cccs2)cc1OC,CID2059988,,,,,,,,,,,,,,0.0,,,
CC(=O)NCCNC(=O)C(Cc1ccccc1)NC(=O)c1cccs1,CID2650157,,,,,,0.0,,,,,,,,0.0,,,
O=C(NCCc1ccccc1)c1cccs1,CID728650,,,,,,,,,,0.0,,,,,,,
CC1CCN(CC(=O)N2c3ccccc3CCc3ccccc32)CC1,CID738371,,,,,,,,0.0,,,,0.0,,,0.0,,
NC(=O)C1CCN(CC(=O)N2c3ccccc3CCc3ccccc32)CC1,CID666300,,,,,,,,0.0,0.0,,0.0,,,0.0,,0.0,0.0
O=C(CN1CCCCC1)N1c2ccccc2CCc2ccccc21,CID777341,,,,,,0.0,,,0.0,,,,,,,,
CCCOc1ccc(-c2nc(C#N)c(N3CCc4ccccc4C3)o2)cc1,CID2218798,,,,,,,,,0.0,,0.0,0.0,,,,,
COc1ccccc1-c1nc(C#N)c(N2CCc3ccccc3C2)o1,CID663473,0.0,,0.0,,,,0.0,,0.0,,0.0,,,,,,
COc1ccc(-c2nc(C#N)c(N3CCc4ccccc4C3)o2)cc1OC,CID2024413,,,,,,0.0,,,0.0,,,0.0,,,,,
CCOC(=O)C1CCN(Cc2cnc(Oc3ccc(N)cc3)s2)CC1,CID1482785,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C1CCN(Cc2cnc(Oc3ccc(Cl)cc3C)s2)CC1,CID1482782,,,,,,,,,,,,,,,0.0,,
CCOC(=O)C1CCN(Cc2cnc(Oc3ccc(OC)cc3)s2)CC1,CID1482756,,,,,,,,,,,,,,0.0,,,
O=C(Nc1ccc(O)cc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl,CID1316845,0.0,0.0,,1.0,,,,,,0.0,,0.0,,,,,0.0
O=C(Nc1cccc(O)c1)c1cccc(S(=O)(=O)N2CCCC2)c1,CID648227,0.0,,,0.0,0.0,,,0.0,,,0.0,,,,,0.0,
O=C(Nc1cccc(O)c1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl,CID647560,,0.0,,,,0.0,,,,0.0,,0.0,0.0,,,,0.0
COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2nc3nc(C)cc(C(F)F)n3n2)cc1,CID1259762,,,,,,,,,,,0.0,,,,,,
Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2nc3ncccn3n2)cc1,CID1169195,,,,,,,,,,,,,,,0.0,,
COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2nc3ncccn3n2)cc1,CID1169201,,,,0.0,,,,0.0,,,,,,,,0.0,
Cc1ccc(-c2nc3ccccc3c(=O)n2NC(=O)c2cccs2)cc1,CID1391381,,,,,,,,,,,,,,0.0,,,
Cc1cccc(-c2nc3ccccc3c(=O)n2NC(=O)c2cccs2)c1,CID1942686,,,,,,,,,,,,,,0.0,,,
O=C(Nn1c(-c2ccccc2)nc2ccccc2c1=O)c1cccs1,CID920316,,,,,,,,,,,,,,0.0,,,
COc1ccccc1Nc1nc(N)nc(CN2CCc3ccccc3C2)n1,CID1090235,,,0.0,,,,,,,,,,,,,0.0,
Nc1nc(CN2CCc3ccccc3C2)nc(Nc2ccccc2)n1,CID939226,,,,,,,,,,,,0.0,,,,,
COc1ccc(Nc2nc(N)nc(CN3CCc4ccccc4C3)n2)cc1,CID1090229,,,,0.0,,,,,,0.0,,0.0,,,,0.0,
CCOc1ccc(S(=O)(=O)NCCN2CCOCC2)c2ccccc12,CID1159998,,,,,0.0,0.0,,,,,,,,,,0.0,
CCCOc1ccc(S(=O)(=O)NCCN2CCOCC2)c2ccccc12,CID2239380,,,,,0.0,,0.0,,0.0,,,,,,,,
COc1ccc(S(=O)(=O)NCCN2CCOCC2)c2ccccc12,CID2295169,,,,,0.0,,0.0,0.0,0.0,,,,0.0,,,0.0,
O=C(Nc1ccc(Cl)cn1)c1cccnc1,CID765760,0.0,0.0,0.0,0.0,,,0.0,,,,,,,,0.0,0.0,
O=C(Nc1ccccn1)c1cccnc1,CID83187,,0.0,0.0,0.0,,,,,,,,0.0,,,,,
Cc1nc(NC(=O)c2cccnc2)ccc1Br,CID936022,0.0,,,,,,,,0.0,,,0.0,,,,0.0,0.0
Cc1ccc(C2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2CCN2CCOCC2)o1,CID5310683,,,,,,,0.0,,,0.0,0.0,,,,,,
Cc1ccc(C)c(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)C2c2ccco2)c1,CID6398903,,,,,,,,,,,,,0.0,,,,
Cc1ccc(C)c(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)C2c2ccc(C)o2)c1,CID6398913,,,,,,,,0.0,,,,,,,,,
CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nc(C)c(C)s3)C2c2ccco2)cc1,CID5389606,,,,0.0,,,,,,,,,,0.0,,,
COc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nc(C)c(C)s3)C2c2ccco2)cc1,CID5389604,,,,,,,0.0,,,,,,,,,,
Cc1nc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)C2c2ccco2)sc1C,CID5389453,,0.0,0.0,0.0,,0.0,,0.0,,,0.0,,,,,,
COCCNC(=O)CSc1nc2cc(OC)c(OC)cc2c(=O)n1CCC1=CCCCC1,CID3245656,,0.0,,,0.0,,,,,,,,,,,,
CCNC(=O)CSc1nc2cc(OC)c(OC)cc2c(=O)n1CCC1=CCCCC1,CID2575665,,,,,,,0.0,0.0,,,,,,,,,
COc1cc2nc(SCC(N)=O)n(CCC3=CCCCC3)c(=O)c2cc1OC,CID2575700,,,,,0.0,,0.0,,,,,,0.0,,,0.0,
CN(C)C(CNS(=O)(=O)c1ccc(Br)cc1)c1cccnc1,CID3244120,,,,,,,,,,,0.0,0.0,,,,,0.0
Cc1ccc(S(=O)(=O)NCC(c2cccnc2)N(C)C)cc1,CID3237497,,,,,0.0,,,,,,,,,,,,
COc1ccc(C(=O)O)cc1S(=O)(=O)N(C)CCc1cccnc1,CID2392315,,,,,0.0,,,,,0.0,,0.0,,,,0.0,0.0
O=C(c1n[nH]c(=O)c2ccccc12)N1CCN(c2ccc(F)cc2)CC1,CID2049979,,0.0,0.0,,,0.0,,,,0.0,,0.0,0.0,,,,
O=C(c1n[nH]c(=O)c2ccccc12)N1CCN(c2ccccc2Cl)CC1,CID2097136,0.0,0.0,0.0,0.0,,,0.0,,,,,,0.0,,0.0,0.0,0.0
O=C(c1n[nH]c(=O)c2ccccc12)N1CCN(c2ccccc2)CC1,CID3236275,0.0,0.0,,,,0.0,,0.0,,,,,,,,,
CCOC(=O)c1ccc(NC(=O)COc2ccc(-n3cnnn3)cc2)cc1,CID1259832,,0.0,0.0,,,,,0.0,,,,,,,,,
Cc1ccc(NC(=O)COc2ccc(-n3cnnn3)cc2)cc1C,CID886651,,,,,,,,,,,,,,,0.0,,
COc1cc(NC(=O)COc2ccc(-n3cnnn3)cc2)c(OC)cc1Cl,CID1139897,,,,,,,,,,,,,,,,0.0,0.0
Cc1ccc2nc3sc(C(=O)NCc4ccco4)c(N)c3cc2c1,CID865562,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc2cc3c(N)c(C(=O)NCc4ccco4)sc3nc2c1,CID648100,,0.0,,,0.0,,,,,,,,,,,0.0,
COc1cc2cc3c(N)c(C(=O)NCc4ccco4)sc3nc2cc1OC,CID648385,,,0.0,0.0,0.0,,0.0,0.0,0.0,,0.0,,,,,,
CCOc1ccc(CCNC(=O)COC(=O)c2cccnc2OCC)cc1OCC,CID3931024,,,,,,,,,,,,0.0,,,,,
CCOc1ncccc1C(=O)OCC(=O)NCCc1ccc(OC)cc1,CID2386874,,0.0,,,,,0.0,,0.0,,,,0.0,,,0.0,
CCOc1ncccc1C(=O)OCC(=O)NCCc1ccccc1,CID2575709,,,,,,,,,,,,0.0,,,,,
CC1(C)CC(=O)C(=CNC2CCCCC2)C(=O)C1,CID750320,,,0.0,,,,0.0,,,0.0,0.0,,,,,,
CC1CCCCC1NC=C1C(=O)CC(C)(C)CC1=O,CID2849267,,,,,,,0.0,,,0.0,,,,0.0,,0.0,0.0
COC(=O)C1C(=O)/C(=C/NC2CCCCC2)C(=O)CC1(C)C,CID3116045,0.0,,,,,,0.0,0.0,0.0,,,,,,,,0.0
O=C1c2cccnc2C(=O)N1Cc1ccccc1,CID289502,,,,,,,0.0,,,,0.0,,0.0,,,,
O=C1c2cccnc2C(=O)N1Cc1ccc(Cl)cc1,CID4229988,,,,,,,,,,,,,,,0.0,,
O=C1c2cccnc2C(=O)N1Cc1ccc(F)cc1,CID3236513,,,,0.0,,0.0,,,,,,,0.0,,,,
O=C(Cn1nnc(-c2ccccc2-n2cnnn2)n1)c1ccccc1,CID651103,,,,,0.0,,,,,0.0,0.0,,,,,,
COc1ccc(C(=O)Cn2nnc(-c3ccccc3-n3cnnn3)n2)cc1,CID645358,,,,0.0,0.0,,0.0,,,,0.0,,0.0,,,,
Cc1ccc(C(=O)Cn2nnc(-c3ccccc3-n3cnnn3)n2)cc1,CID653727,,,,,0.0,,0.0,,,,,,,,,,
Cn1ccc(-c2ccccc2)c(C#N)c1=O,CID1484469,,,,,,,,,,,,,,,0.0,,
COC(=O)Cn1ccc(-c2ccc(Cl)cc2)c(C#N)c1=O,CID1487467,,,,,,,,,,,,,,0.0,,,
CCOC(=O)Cn1ccc(-c2ccccc2)c(C#N)c1=O,CID1487454,,,,,,,,,,,,,,0.0,0.0,,
CCCCCSc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)OC2,CID658089,,,,0.0,,,0.0,0.0,,,,,,,,,
COC(=O)Sc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)OC2,CID658111,,,,0.0,,,0.0,,,,,0.0,,0.0,,,0.0
CC(C)CCSc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)OC2,CID1051635,,,,,,,0.0,,,,,,,,,,
COC(=O)c1ccc(-c2sc3nc(N4CCOCC4)c4c(c3c2N)CC(C)(C)OC4)o1,CID658086,,,,0.0,0.0,,,,,,,,,,0.0,,0.0
CNC(=O)c1ccc(-c2sc3nc(N4CCOCC4)c4c(c3c2N)CC(C)(C)OC4)o1,CID1096252,,,,,,,,,,0.0,,,,,,,
CC1(C)Cc2c(c(N3CCOCC3)nc3sc(-c4ccc(C(=O)O)o4)c(N)c23)CO1,CID2946698,,,,,0.0,,,,,,,,,,,0.0,0.0
CCOc1ccccc1NC(=O)N1CCC(c2nc3ccc(C)cc3[nH]2)CC1,CID648535,0.0,,0.0,,,,,0.0,0.0,,,,,,0.0,,0.0
CCOc1ccccc1NC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1,CID648346,0.0,,,,,,,0.0,0.0,,,0.0,0.0,,,,0.0
COc1ccccc1NC(=O)N1CCC(c2nc3cc(C)c(C)cc3[nH]2)CC1,CID1429831,,,,,,,,,0.0,,,0.0,,,,,
CCCn1c(O)c(C(=O)NCc2ccncc2)c(=O)c2ccccc21,CID648538,0.0,0.0,0.0,0.0,,0.0,,,0.0,,0.0,,0.0,,,,
CCCCn1c(O)c(C(=O)NCc2ccncc2)c(=O)c2ccccc21,CID647618,0.0,,,,0.0,,,0.0,,,,,0.0,,0.0,,
CCCCCn1c(O)c(C(=O)NCc2ccncc2)c(=O)c2ccccc21,CID649539,,,0.0,,,,,,0.0,,,,,,,,
CCOc1ccc(CN2C(=O)CCC2(C)C(=O)NCc2cccnc2)cc1,CID5307496,0.0,,,,,,,0.0,,,,,,,,,
COc1ccccc1CN1C(=O)CCC1(C)C(=O)NCc1cccnc1,CID3243598,,,0.0,,0.0,,0.0,,,,,,,,,,
COc1ccc(CN2C(=O)CCC2(C)C(=O)NCc2cccnc2)c(OC)c1,CID3236022,,,0.0,,0.0,,,,0.0,,,,,,,,
Cc1ccc(-c2nc(CSCC(=O)N3CCN(c4ccccn4)CC3)c(C)o2)cc1,CID5307495,0.0,,,,,,,,,,0.0,0.0,,0.0,,,
CCc1ccc(-c2nc(CSCC(=O)N3CCN(c4ccccn4)CC3)c(C)o2)cc1,CID3244779,0.0,,,0.0,,0.0,,,,,0.0,,,,,0.0,0.0
Cc1cccc(-c2nc(CSCC(=O)N3CCN(c4ccccn4)CC3)c(C)o2)c1,CID3237129,0.0,0.0,,,,,,0.0,,,,0.0,,,,,
COC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)C1=COCCO1,CID660159,,0.0,,0.0,0.0,,,,,,,,,,,,
CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)C1=COCCO1,CID661215,,,,,0.0,,,0.0,,,,,,,,,
COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)C1=COCCO1,CID660139,,,,0.0,0.0,,0.0,,,,,0.0,0.0,,,,
Cc1ccc(C2=NN(C(=S)Nc3ccccc3)C(c3ccco3)C2)cc1,CID2952207,,,,,,0.0,,,,,,,,,,,
COc1ccccc1C1=NN(C(=S)Nc2ccccc2)C(c2ccco2)C1,CID2952193,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C2CC(c3ccccc3)=NN2C(=S)Nc2ccccc2)o1,CID11841141,,,,,,,,,,,,0.0,,,,,
O=C(O)C1CCCCN1S(=O)(=O)c1ccc2ccccc2c1,CID2769968,,,,,,,,,,,,,,,0.0,,
CC1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1,CID767330,,,,,,,,,,,,,,0.0,,,
O=S(=O)(c1ccc2ccccc2c1)N1CCCCC1,CID764406,,,,,0.0,,,0.0,,0.0,,0.0,,0.0,,,
COc1cccc(-c2nnc(SCc3ccccn3)n2C)c1,CID1435225,,,,,,,,,,,,,,0.0,,,
COc1ccccc1-c1nnc(SCc2ccccn2)n1C,CID653839,0.0,0.0,,0.0,0.0,,,,,,,,0.0,,,0.0,
COc1ccc(-c2nnc(SCc3ccccn3)n2C)cc1,CID1166017,,,,,,,,,,,0.0,,,,,,
COc1ccccc1NC(=O)N1CCCC(c2nc3n(Cc4ccc(C)cc4)[nH]nc-3c(=O)n2)C1,CID651938,,,,,,,,,,0.0,,0.0,,,,,0.0
Cc1ccc(Cn2[nH]nc3c(=O)nc(C4CCCN(C(=O)Nc5ccc(F)cc5)C4)nc2-3)cc1,CID648684,,,,,,,,,0.0,0.0,0.0,,0.0,,0.0,,
CCOc1ccccc1NC(=O)N1CCCC(c2nc3n(Cc4ccc(C)cc4)[nH]nc-3c(=O)n2)C1,CID650888,,,,,,,0.0,,,,,,,,,,
Cc1nc(SCC(=O)Nc2ccc3c(c2)OCCO3)c2oc3ccccc3c2n1,CID663539,,,0.0,,,0.0,0.0,,,,,,0.0,,,,
CCc1nc(SCC(=O)Nc2ccc3c(c2)OCCO3)c2oc3ccccc3c2n1,CID665236,,,,,0.0,,0.0,,,,,,0.0,,,,0.0
O=C(CSc1ncnc2c1oc1ccccc12)Nc1ccc2c(c1)OCCO2,CID664213,,,,,0.0,,0.0,0.0,,,,,,0.0,,0.0,
CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2N2CCOCC2)cc1,CID5333986,,,,,,,,,,0.0,,,,,,,
CN(C)c1ccc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2N2CCOCC2)cc1,CID5719237,,,,,,,,,,,0.0,,,,,,
CCN(CC)c1ccc(/C=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2N2CCOCC2)cc1,CID5286660,,,,,,,,,,,,0.0,,,,,
CCn1cc(/C=N/NS(=O)(=O)c2ccc(OC)cc2)c(C)n1,CID1225578,,,,,,,,,,,,0.0,,,,,
Cc1ccc(S(=O)(=O)N/N=C/c2cnn(C)c2C)cc1,CID831810,,,,,,,,,,,,0.0,,,,,
Cc1ccc(S(=O)(=O)N/N=C/c2cn(C)nc2C)cc1,CID722463,,,,,,,,,,,,0.0,,,,,
O=C(CCNS(=O)(=O)c1ccc(Br)cc1)NCc1ccc2c(c1)OCO2,CID3245191,0.0,,,,,,,,,,0.0,,,,,0.0,
Cc1ccc(S(=O)(=O)NCCC(=O)NCc2ccc3c(c2)OCO3)cc1C,CID2107696,,,,,0.0,,,,,,,,,,,0.0,
O=C(CCNS(=O)(=O)c1ccccc1F)NCc1ccc2c(c1)OCO2,CID2436700,,,,,,,,,,0.0,0.0,,,,0.0,,
Cc1ccccc1-n1c(=O)cc(N2CCC3(CC2)OCCO3)[nH]c1=O,CID3242416,,0.0,,,,,,,0.0,,,,,,,,
O=c1cc(N2CCC3(CC2)OCCO3)[nH]c(=O)n1-c1ccc(Cl)cc1,CID3243777,0.0,0.0,,,,,,,,,,,,,,0.0,0.0
O=c1cc(N2CCC3(CC2)OCCO3)[nH]c(=O)n1-c1ccc(Br)cc1,CID3240687,0.0,,,,,,,,0.0,,,,,,,0.0,
Fc1ccc(NC2=NCCCCC2)cc1,CID2337750,,,,,,,,,,,,,,,0.0,,
Clc1ccc(NC2=NCCCCC2)cc1,CID659842,0.0,,,,,,0.0,,,,,,,,,,0.0
COc1cc(OC)c(NC2=NCCCCC2)cc1Cl,CID2123726,0.0,,0.0,,,0.0,0.0,,,0.0,,,,,,0.0,0.0
Cc1cc(C(=O)Nc2c(C)nn(Cc3ccc(F)cc3)c2C)on1,CID9550990,,,,,,,,,,,,,,0.0,,,
Cc1noc(C(=O)Nc2c(C)nn(Cc3ccccc3)c2C)c1Cl,CID5308012,0.0,0.0,0.0,0.0,,0.0,,,,,,,,,,0.0,
Cc1cc(C(=O)Nc2c(C)nn(Cc3ccccc3)c2C)on1,CID6619748,,,,,,0.0,,,,,,,,,,,
COC(=O)C1C(=O)c2c(n[nH]c2C)CC1(C)C,CID2834781,,,,,,,,0.0,,0.0,,0.0,0.0,,,,
Cc1[nH]nc2c1C(=O)CC(C)(C)C2,CID1878753,,,,,,,,0.0,,,,,,,,,
Cc1[nH]nc2c1C(=O)CCC2,CID657436,,,,,,,,0.0,,,,,,,,,
Cc1ccc(Cc2cnc(NC(=O)C3CCCO3)s2)cc1,CID2888347,,,,,,,,,,0.0,0.0,,,,,,
O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)C1CCCO1,CID3132751,,,,,,0.0,,,,0.0,,,,,,,
O=C(Nc1ncc(Cc2ccccc2)s1)C1CCCO1,CID3144220,0.0,,0.0,,0.0,,,,,,0.0,,,,,,
Cc1cc(C)c(C#N)c(N2CCCC2)n1,CID892982,,0.0,,0.0,,,0.0,0.0,,,,,,0.0,,,
O=C(O)C1CCCN1c1ncccc1[N+](=O)[O-],CID2766183,,,,,,,,,,,,,,,0.0,,
CC(=O)c1cc(C#N)c(N2CCCC2)nc1C,CID1471733,,,,,,,,,,,,,,,0.0,,
COc1cc(NC(=O)c2ccco2)c(OC)cc1NC(=O)Nc1ccc(Cl)cc1,CID645241,,,,,,0.0,,,,,,,0.0,,,0.0,
COc1cc(NC(=O)c2ccco2)c(OC)cc1NC(=O)Nc1ccccc1Cl,CID652851,,,,,,,,,,,,,,,,0.0,
COc1cc(NC(=O)c2ccco2)c(OC)cc1NC(=O)Nc1cccc(Cl)c1,CID648612,,,,0.0,,,,,,,,,0.0,,,0.0,0.0
O=C(Nc1ccccc1F)c1ccc2nc(N3C(=O)CCC3=O)sc2c1,CID1331519,,,,,,0.0,,,,,,,,0.0,,,
COc1ccccc1NC(=O)c1ccc2nc(N3C(=O)CCC3=O)sc2c1,CID1330119,,,,,,0.0,,,,,,,,,0.0,,
O=C(Nc1cccc(Br)c1)c1ccc2nc(N3C(=O)CCC3=O)sc2c1,CID1209542,,,,,,,,,,,,0.0,,,,,
CCOc1ccc(CNC(=O)C(CC)n2nc(C)n3c(cc4occc43)c2=O)cc1OC,CID3235960,,,0.0,,,,,,,,,,,,,,
CCC(C(=O)NCc1ccccc1OC)n1nc(C)n2c(cc3occc32)c1=O,CID9550665,,,,,,0.0,,,,,,,,,,,
Cc1nn(CC(=O)NCc2ccc(OC(C)C)cc2)c(=O)c2cc3occc3n12,CID6623340,,,,,,,,,,,0.0,,,,,,
Cc1ccc(CC(=O)Nc2nc3ccccc3s2)cc1,CID889037,,,,,,0.0,,,,,,,,,,,
O=C(Cc1ccccc1)Nc1nc2ccccc2s1,CID591403,,,,,,,,,0.0,,,0.0,,,0.0,,
CS(=O)(=O)c1ccc2nc(NC(=O)Cc3ccccc3)sc2c1,CID2381448,,,0.0,0.0,0.0,,,,0.0,,,,,0.0,,,
CS(=O)(=O)N1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)ccc21,CID1250293,,,0.0,,0.0,,0.0,,,,,,,,,0.0,0.0
O=C(O)CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)ccc21,CID5307544,,,0.0,,,,,0.0,,,,,,,,,
CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)ccc21,CID3240508,,,0.0,,,,,0.0,,,,,,,,0.0,
O=C(CN1C(=O)c2ccccc2C1=O)NCc1ccccn1,CID661685,,0.0,0.0,0.0,,,,,,,,,,,,,0.0
CC(C)CC(C(=O)NCc1ccccn1)N1C(=O)c2ccccc2C1=O,CID2999433,,0.0,0.0,0.0,0.0,,,,0.0,,,,,,,,
CC(C(=O)NCc1ccccn1)N1C(=O)c2ccccc2C1=O,CID2859706,,0.0,0.0,,0.0,,,0.0,,,,,,,,,0.0
Cc1cc(C)n(CC(=O)c2ccccc2)c(=O)c1C#N,CID661684,,,,0.0,,0.0,,0.0,,,,,,,0.0,0.0,
Cc1ccc(C(=O)Cn2c(C)cc(C)c(C#N)c2=O)cc1,CID661577,,,,,,0.0,,,0.0,,,,0.0,,0.0,,
CCN(CC)CCNC(=O)C(C(=O)c1ccccc1)n1ccccc1=O,CID648008,,,,0.0,0.0,,,,,,,,0.0,0.0,0.0,,
O=C(NC1CCCC1)c1ccc(COCC(F)(F)C(F)F)o1,CID891668,,,,,,,,,0.0,,,,,,,,
O=C(NC1CCCC1)c1ccc(Br)o1,CID841638,,,,,,,,,0.0,,,0.0,,,,,
O=C(NC1CCCC1)c1ccc(COCC(F)(F)F)o1,CID892285,,,,0.0,,,,,0.0,,,,,,,,
COc1ccc(-c2cc(=O)oc3cc(OCc4nn[nH]n4)ccc23)cc1,CID667211,,,,,,,,,,,,0.0,,,,0.0,
COc1ccc(-c2cc(=O)oc3c(C)c(OCc4nn[nH]n4)ccc23)cc1,CID667341,0.0,0.0,,,,,,,,,,0.0,,,,,
Cc1c(OCc2nn[nH]n2)ccc2c(-c3ccccc3)cc(=O)oc12,CID666479,,,,,,0.0,,,,,,,,,0.0,,
CN(C)c1oc(-c2ccco2)nc1C#N,CID664791,,,,,,0.0,,,0.0,,,,0.0,,0.0,,
CC(C)CNc1oc(-c2ccco2)nc1C#N,CID829942,,,,,,,,,0.0,,,,,,0.0,,
CNc1oc(-c2ccco2)nc1C#N,CID664840,,0.0,,,,,,,0.0,,0.0,,0.0,,0.0,,
CC(C)c1ccccc1-n1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1-c1cccnc1,CID4881526,,,,,,,,,,,,0.0,,,,,
COc1ccc(N2CCN(C(=O)CSc3nnc(-c4cccnc4)n3-c3ccccc3)CC2)cc1,CID2999569,0.0,,0.0,,,,,,0.0,,,,,,,0.0,
O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)N1CCN(c2ccc(F)cc2)CC1,CID2945688,,,,,,,,,,,0.0,,,,0.0,,
Cc1cccc(CC2SC(Nc3ccccn3)=NC2=O)c1,CID2859472,,,,,,,,,,0.0,0.0,,,,,,
CCOc1ccc(CC2SC(Nc3ccccn3)=NC2=O)cc1,CID654025,0.0,0.0,,,0.0,0.0,0.0,,,,1.0,,,,,,
O=C1N=C(Nc2ccccn2)SC1Cc1ccccc1,CID2818407,,0.0,,0.0,0.0,0.0,,0.0,,,0.0,,,,,,
CCOC(=O)c1ccc(/N=c2\sc(C(=O)OC)cc(=O)n2Cc2ccc3c(c2)OCO3)cc1,CID1518388,,,,,,,,,,0.0,0.0,,,,,,
COC(=O)c1cc(=O)n(Cc2ccc3c(c2)OCO3)/c(=N/c2ccccc2)s1,CID5309819,0.0,,,,,,,,,,,,,,,,
COC(=O)c1cc(=O)n(Cc2ccc3c(c2)OCO3)/c(=N/c2ccc(F)cc2)s1,CID9550981,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1c(C)[nH]c(C(=O)CSc2ccc(Cl)cc2)c1C,CID1182910,,,,,,,,,,0.0,,,,,,,
COC(=O)c1c(C)[nH]c(C(=O)CSc2ccc(Cl)cc2)c1C,CID705841,,,,,,,,,0.0,0.0,,,,,,,
CCOC(=O)c1c(C)[nH]c(C(=O)CSc2ccccc2)c1C,CID705154,0.0,,,,0.0,0.0,,,,,,,,,,,
CCCCNC(=O)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1,CID3238989,,0.0,0.0,0.0,,,,0.0,0.0,,,,,,,0.0,
CCOC(=O)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1,CID3245834,,,0.0,0.0,,,0.0,,,,,,0.0,,,,
CCCCC(CC)CNC(=O)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1,CID5307411,,,,,,,,,,,,,,,,,0.0
COc1ccc(CCNC(=O)CC2Nc3ccccc3NC2=O)cc1OC,CID3238981,0.0,0.0,,0.0,,,,,,0.0,,,0.0,,,0.0,
COc1ccc(CCNC(=O)CC2Nc3ccccc3NC2=O)cc1,CID2999766,0.0,0.0,,0.0,,,0.0,0.0,,,,,0.0,,,0.0,
COc1ccc(CCNC(=O)CC2Nc3cc(C)c(C)cc3NC2=O)cc1OC,CID2928798,0.0,,,,,,,,0.0,,,0.0,,,,0.0,0.0
COC(=O)c1ccc(COc2ccc3c4c(c(=O)oc3c2)CCC4)cc1,CID986535,,,,,,0.0,,,,,,,,,,,
C=Cc1ccc(COc2ccc3c4c(c(=O)oc3c2)CCC4)cc1,CID874994,,,,,,0.0,,,,,,,,,,,
O=C(O)C(Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1ccccc1,CID2894647,,,,,,,,,,0.0,,,,,0.0,,
Cn1c(O)c(C(=O)Nc2cccnc2)c(=O)c2ccccc21,CID649150,,,0.0,,,,,,,,,,,,,,
CCn1c(O)c(C(=O)Nc2cccnc2)c(=O)c2ccccc21,CID644431,,0.0,,0.0,,,,,,,,0.0,,,,,
C=CCn1c(O)c(C(=O)Nc2cccnc2)c(=O)c2ccccc21,CID758761,,,,,,,,,0.0,,,,,,,,
COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1OC,CID2434603,,,,,,,,,0.0,0.0,0.0,,,0.0,0.0,,
CCOc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1OCC,CID3238805,,,,0.0,0.0,,,,0.0,0.0,,0.0,0.0,,,,
COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1,CID1154224,,,,,,,,,,,0.0,,,,,,
COc1ccc(N2CC(C(=O)NCc3cccnc3)CC2=O)cc1,CID653803,,0.0,,,,,,0.0,,,,,,,,,
O=C(NCc1cccnc1)C1CC(=O)N(c2ccc(Cl)cc2)C1,CID2926678,,,,0.0,,,0.0,,,,,,0.0,,,,0.0
O=C(NCc1cccnc1)C1CC(=O)N(c2ccc(F)cc2)C1,CID2926615,,,,,,,,0.0,,,,0.0,,,,,
CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(C)o1,CID2817094,0.0,,0.0,,0.0,,,0.0,,,,,,0.0,,,0.0
CC1=C(C(=O)OC(C)C)C(c2ccc(C)o2)NC(=O)N1,CID2917545,,,,,,,,,,,0.0,,,,,,
CCOC(=O)C1=C(C)NC(=O)NC1c1ccco1,CID613506,,,0.0,,0.0,,,,,,,,,,0.0,,
Cn1c(=O)c2c(SCC(=O)NCc3ccco3)nc(CC(C)(C)C)nc2n(C)c1=O,CID5310441,,,,,,,,,,,0.0,,,,,,
CCc1nc(SCC(=O)NCc2ccco2)c2c(=O)n(C)c(=O)n(C)c2n1,CID5310028,,,,,,,,,,,0.0,,,,,,
CCCc1nc(SCC(=O)NCc2ccco2)c2c(=O)n(C)c(=O)n(C)c2n1,CID5310098,,,,0.0,,,,0.0,,,,,,,,,
CCCc1[nH]nc2c1C(c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2,CID654752,,,0.0,,,,,,,,,,,,,0.0,
CCCc1[nH]nc2c1C(c1ccc(OCCN3CCOCC3)c(OCC)c1)C(C#N)=C(N)O2,CID2961847,,0.0,0.0,,,,,,,,,,,,,,
CCOc1cc(C2C(C#N)=C(N)Oc3n[nH]c(C)c32)ccc1OCCN1CCOCC1,CID645303,,,,,,,,,,,,,,0.0,,0.0,0.0
Cc1cc2cc(C(c3nnnn3C3CCCC3)N(Cc3cccnc3)Cc3ccco3)c(=O)[nH]c2cc1C,CID3187658,,,,,,,,,,,0.0,,,,,,
Cc1ccc2[nH]c(=O)c(C(c3nnnn3C3CCCC3)N(Cc3cccnc3)Cc3ccco3)cc2c1,CID652016,,,,,,,,,,0.0,,,,,,,0.0
Cc1ccc2cc(C(c3nnnn3C3CCCC3)N(Cc3cccnc3)Cc3ccco3)c(=O)[nH]c2c1,CID651892,,,,,,,,,,0.0,,,,,,,
COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N1CCCCCC1,CID1095810,,,,,,,,0.0,0.0,,,0.0,,,,0.0,
CCN(CC(=O)N1CCCCCC1)S(=O)(=O)c1ccc(Cl)cc1,CID1252692,0.0,0.0,,0.0,0.0,,,,,0.0,,,,,,,0.0
COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCCCCC2)cc1OC,CID1085404,,0.0,,0.0,,,,,,,,,,0.0,,,
COc1ccc(S(=O)(=O)N2CCN(C)CC2)c2ccccc12,CID846975,0.0,,0.0,,0.0,,,0.0,,,,,,,,,
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(OCC)c3ccccc23)CC1,CID1260937,,,,,,,,0.0,,0.0,0.0,,,,0.0,0.0,
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c3ccccc23)CC1,CID1085507,,,,,,,,,,0.0,,,0.0,,,0.0,
CCc1c(C)nc2ncnn2c1N1CCC(C(=O)Nc2ccc(C)cc2)CC1,CID651875,,,,,,,,,,0.0,,,0.0,,,,
CCc1c(C)nc2ncnn2c1N1CCC(C(=O)Nc2ccccc2)CC1,CID650397,,0.0,,0.0,,,,,0.0,,,,,,,,
CCc1c(C)nc2ncnn2c1N1CCC(C(=O)Nc2cccc(C(C)=O)c2)CC1,CID648732,,,,0.0,,,,,,,,0.0,,,,,
O=S(=O)(c1ccc(Cl)cc1)N1CCSC1c1ccco1,CID2998207,,,,,,0.0,,,,,,,,,,,
Cc1ccc(S(=O)(=O)N2CCSC2c2ccco2)cc1,CID2999015,,,,,,0.0,0.0,,,,,,0.0,,,,
O=S(=O)(c1ccccc1)N1CCSC1c1ccco1,CID3242237,,,,0.0,,,0.0,,,0.0,,,0.0,,,,
Cc1ccc(OCCNC(=O)CCc2ccccc2)cc1C,CID2876922,,,,,,0.0,,,,,,,,,,,
O=C(CCc1ccccc1)NCCOc1ccccc1,CID3339930,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C(C)C)c(OCCNC(=O)CCc2ccccc2)c1,CID3808503,,,,,,0.0,,,,,,,,,,,
COC(=O)c1cn(-c2ccccc2)nc1-c1ccncc1,CID2766505,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1cn(-c2ccccc2)nc1-c1ccncc1,CID2121566,0.0,,0.0,0.0,,,,0.0,,,0.0,,,,0.0,,
O=C(O)c1cn(-c2ccccc2)nc1-c1ccncc1,CID976454,,,0.0,,,,,,,,,0.0,0.0,,,,
Cc1c(C(=O)NCc2ccc(F)cc2)c(-c2ccccc2)nn1-c1ccccc1,CID997166,,,,,,,,,,,,0.0,,,,,
COc1ccccc1CNC(=O)c1c(-c2ccccc2)nn(-c2ccccc2)c1C,CID997165,,,,,,,,,,,,0.0,,,,,
Cc1c(C(=O)NC(C)c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1,CID3568222,,,,,,0.0,,,,,,,,,,,
Cc1onc(-c2ccccc2Cl)c1C(=O)NCCCN1CCOCC1,CID2933192,0.0,0.0,,,,0.0,,,,,,,,,0.0,0.0,0.0
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCCCN1CCOCC1,CID2163945,0.0,0.0,,,,,,,,,,,0.0,,,,
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCCN1CCOCC1,CID2225536,0.0,,,,,,,,,,,0.0,,,,0.0,
COc1ccc(C(CC(=O)N2CCC3(CC2)OCCO3)NS(=O)(=O)c2ccc(C)cc2)cc1,CID3241643,,,,,0.0,,,,,,0.0,,,,,0.0,0.0
COc1ccc(C(CC(=O)N2CCC3(CC2)OCCO3)NS(=O)(=O)c2ccc(F)cc2)cc1,CID3238230,,,,,,,0.0,,,,,,,,,,
COc1ccc(C(CC(=O)N2CCC3(CC2)OCCO3)NS(=O)(=O)c2ccc(OC)cc2)cc1,CID3243336,,,0.0,,0.0,,,,,,,,,,,0.0,
CCN1C(=O)/C(=C2\SC(N3CCCCC3)=NC2=O)c2ccccc21,CID3241647,,0.0,,,0.0,0.0,,,,,,,,,,,
CCCN1C(=O)/C(=C2\SC(N3CCCCC3)=NC2=O)c2ccccc21,CID659003,0.0,,,,0.0,,,0.0,,,,,,,,0.0,0.0
CCCCN1C(=O)/C(=C2\SC(N3CCCCC3)=NC2=O)c2ccccc21,CID1905581,0.0,0.0,0.0,,,,0.0,,,0.0,,,,,,0.0,
CCc1ccc(CNC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)cc1,CID2291624,,,,,,,,,,,,0.0,,,,,
COc1ccc(CCNC(=O)C(=O)NCc2ccccc2)cc1OC,CID3102469,,,,,,0.0,,,,,,,,,,,
COc1ccc(CCNC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc1OC,CID2301546,,,,,,,,,,,,0.0,,,,,
O=C(c1cccc(Br)c1)N1CCN(C(=O)N2CCOCC2)CC1,CID1094965,,,,,,,,,0.0,,,,,,,,
Cc1ccc(C(=O)N2CCN(C(=O)N3CCOCC3)CC2)cc1,CID976967,,,,,,,,,,,0.0,,,,,,
O=C(c1ccccc1)N1CCN(C(=O)N2CCOCC2)CC1,CID2901963,,,,,,,,,,,0.0,,,,,,
Cc1ccn(C(CC(=O)c2ccc(Br)cc2)C(=O)O)n1,CID2990426,,,,,,,,,0.0,,0.0,0.0,,,0.0,,
Cc1ccc(C(=O)CC(C(=O)O)n2cccn2)cc1,CID2951417,,,,,,,,0.0,,,,,0.0,,,,
Cc1ccc(C(=O)CC(C(=O)O)n2ccc(C)n2)cc1,CID2950471,,,0.0,,,,,,,0.0,,,0.0,,,0.0,
CCOC(=O)c1sc2nc(C(C)C)c3c(c2c1N)CC(C)(C)OC3,CID921516,,,,,,0.0,,,,,,,,,,,
Cc1nc2sc(C(=O)O)c(N)c2c2c1COC(C)(C)C2,CID662180,,,,,,,0.0,,,,,0.0,,,,,
CCOC(=O)c1sc2nc(C)c3c(c2c1N)CC(C)(C)OC3,CID916996,,,,,,,,,,,,,,0.0,,,
Cc1nc2ccccc2nc1OCc1cccc([N+](=O)[O-])c1,CID952350,,,,,,,,,,,,,,,0.0,,
Cc1nc2ccccc2nc1OCc1ccc([N+](=O)[O-])cc1,CID937277,,,,,,,,,,,,,,0.0,,,
Cc1nc2ccccc2nc1OCc1ccccc1,CID910952,,,,,,,,,,,,,,0.0,,,
COc1ccc(C2SCC(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)cc1,CID2867514,,,0.0,,,,,0.0,,,,,0.0,,,,
CCOc1ccc(C2SCC(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)cc1,CID2874023,0.0,,,,0.0,0.0,,,,,,,,,,,
COc1ccc(C2SCC(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)c(OC)c1,CID3244170,,,,,0.0,,,,,,,,,,,,
O=C(Nc1nncs1)C1COc2ccccc2O1,CID2950293,,0.0,0.0,,,,,,,,,0.0,,,,,
Cc1nnc(NC(=O)C2COc3ccccc3O2)s1,CID2901203,,0.0,,0.0,,,,,,0.0,,,0.0,,,0.0,
CCC(CC)c1nnc(NC(=O)C2COc3ccccc3O2)s1,CID3282605,,,,,,,,,,,,,,,0.0,,
CSc1nnc2n(CCc3ccccc3)c(=O)c3c4c(sc3n12)CCCC4,CID1386549,0.0,,0.0,,0.0,,0.0,,,0.0,,,,,,,
Cc1nnc2n(CCc3ccccc3)c(=O)c3c4c(sc3n12)CCCC4,CID1299609,,0.0,,0.0,,,,,,,0.0,,0.0,,,0.0,
O=c1c2c3c(sc2n2cnnc2n1CCc1ccccc1)CCCC3,CID1418401,,,,,,,,,,,0.0,,0.0,,,0.0,
Cc1cccc(C)c1NC(=O)C(c1ccc(Cl)cc1Cl)N1CCCCC1,CID3108201,,,,,,,,,,,,0.0,,,,,
Cc1cccc(C)c1NC(=O)C(c1ccc([N+](=O)[O-])cc1)N1CCCCC1,CID612983,,,,,,0.0,,,,,,,,,,,
Cc1ccc(NC(=O)C(c2ccc(Cl)cc2)N2CCCCC2)cc1,CID3904428,,,,,,,,,,,,,,0.0,,,
Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)Nc1ccccn1)c1ccc(C(C)C)cc1,CID5309479,0.0,,,,,,,,,,0.0,,,,,,
Cc1ccc(N(CC(=O)Nc2ccc(C)cn2)S(=O)(=O)c2c(C)nn(C)c2C)cc1,CID3237607,0.0,,0.0,,,,,,,,0.0,,,,,,0.0
COc1ccc(N(CC(=O)Nc2ccc(C)cn2)S(=O)(=O)c2c(C)nn(C)c2C)cc1,CID5309558,,,,,,,,,,,,,,0.0,,,
c1ccc(-n2cnc3cc(NCc4ccco4)ccc32)cc1,CID828702,,,,,,,,,,,,,,,0.0,,
COc1ccc(-n2cnc3cc(NCc4ccco4)ccc32)cc1,CID828705,,,,,,,,,,,0.0,0.0,,,,,
COc1ccccc1-n1cnc2cc(NCc3ccco3)ccc21,CID666916,0.0,0.0,,,,,,0.0,,0.0,0.0,0.0,0.0,,,0.0,
Cc1ccc2nc(NC3=NCN(Cc4ccccc4)CN3)nc(C)c2c1,CID664964,,0.0,,,,,,,,,,,,,,,0.0
Cc1nc(NC2=NCN(Cc3ccccc3)CN2)nc2ccccc12,CID664046,,0.0,,,,,,,,0.0,,,,,,0.0,
Cc1ccc2c(C)nc(NC3=NCN(Cc4ccccc4)CN3)nc2c1,CID664197,,0.0,,0.0,,,,,,,,,,,,0.0,
CCCCSc1nnc(-c2ccc(C)cc2)c2ccccc12,CID6407380,,,,,,,,,,,,,,,0.0,,
CCSc1nnc(-c2ccc(Cl)cc2)c2ccccc12,CID2881132,,,,,,,,,,,,,,0.0,,,
COc1nnc(-c2ccc(C)c(S(=O)(=O)NCCO)c2)c2ccccc12,CID2927707,,,,0.0,,,,,,,0.0,,,,,0.0,
Cc1oc(-c2ccccc2)cc1C(=O)Nc1cccc(C(=O)O)c1,CID973122,0.0,,0.0,,,,0.0,0.0,,0.0,,0.0,0.0,0.0,,,
Cc1oc(-c2ccccc2)cc1C(=O)Nc1ccc(N(C)C)cc1,CID748403,,,,,,0.0,,,,,,0.0,,,,,
Cc1oc(-c2ccccc2)cc1C(=O)Nc1ccccc1,CID716593,,,,,,,,,,,,0.0,,,,,
CCN(CC)C(NC(=O)c1ccccc1)C(=O)c1ccccc1,CID645039,,,,,0.0,,,,,,0.0,,,,,,
O=C(CNC(=O)c1ccccc1C(=O)O)c1ccccc1,CID272806,,,0.0,,,0.0,,0.0,,,,,,,0.0,,
O=C(CNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1,CID732475,,,,,,0.0,,,,,,,,,0.0,,
CC(C)OC(=O)c1ccc(NC(=O)C2C3CC4OC(=O)C2C4C3)cc1,CID2965829,,,,,,,,,,,,,,,,,0.0
Cc1ccc(NC(=O)C2C3CC4OC(=O)C2C4C3)cc1Cl,CID2965813,,0.0,,,,,,,,,,0.0,,,,,0.0
COc1ccc(OC)c(NC(=O)C2C3CC4OC(=O)C2C4C3)c1,CID2966099,,,,,,,,0.0,,,0.0,,,,,,0.0
CCN1CCN(C(=O)COc2cc(=O)n(CC)c3ccccc23)CC1,CID3237911,,,0.0,0.0,,,,0.0,,,0.0,0.0,0.0,,,,
CCOC(=O)N1CCN(C(=O)COc2cc(=O)n(CC)c3ccccc23)CC1,CID3244607,,,,,,,,0.0,,,,,,,0.0,,
CCOC(=O)N1CCN(C(=O)COc2cc(=O)n(C)c3ccccc23)CC1,CID3238108,,,,,,,0.0,,,,,,,,,,
O=C1OC(c2ccccc2)=N/C1=C\N1CCCCC1,CID6153151,,,,,,,,,,0.0,,,,,,,
O=C1OC(c2ccc(Br)cc2)=N/C1=C\N1CCCCC1,CID3237894,0.0,,,,,,,,,,,,,,,0.0,0.0
Cc1ccc(C2=N/C(=C\N3CCCCC3)C(=O)O2)cc1,CID6047829,,,,,,0.0,,,,,,,,,,,
COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)C1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1,CID2889041,,,,,,0.0,,,,,,,,,,,
COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)C1c1ccc(-c2ccc(Cl)cc2)o1,CID3138651,,,,,,0.0,,,,,,,,,,,
COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)C1c1ccc(-c2ccc(C(=O)O)cc2)o1,CID2888976,,,,,,,,,,0.0,,,0.0,,,,
COc1ccc(CNC(=O)C2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)cc1,CID9551223,,,,,,,,,,,0.0,,,,,,
COc1ccc(CNC(=O)C2CCCN(S(=O)(=O)c3c(C)nn(C)c3C)C2)cc1,CID5309058,,,,,,,,0.0,,,,,,,,,
COc1cccc(CNC(=O)C2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)c1,CID3237645,,,,0.0,,,,,,,,,,,,,0.0
COc1ccccc1N1CCN(CCC(=O)Nc2ccc3c(c2)OCO3)CC1,CID1149625,,,,,,0.0,,,0.0,,,0.0,0.0,,,,
O=C(CCN1CCN(c2ccccc2)CC1)Nc1ccc2c(c1)OCO2,CID1149630,,,,0.0,,,0.0,,0.0,,,,,,,,
O=C(CCN1CCN(c2ccccc2F)CC1)Nc1ccc2c(c1)OCO2,CID656215,,,,,,,0.0,0.0,,0.0,,,0.0,,,,
O=C(Nc1ccc(F)c(F)c1)c1cnc(-c2ccccc2)nc1-c1ccccc1,CID1487233,,,,,,,,,,,,0.0,,,,,
O=C(Nc1ccc(F)cc1)c1cnc(-c2ccccc2)nc1-c1ccccc1,CID1487225,,,,,,0.0,,,,,,0.0,,,,,
O=C(Nc1ccccc1)c1cnc(-c2ccccc2)nc1-c1ccccc1,CID1487228,,,,,,,,,,,,0.0,,,,,
Cc1cc(C(F)(F)F)n2nc(-c3sccc3-n3cccc3)cc2n1,CID3259062,,,,,,,,,,,,,,0.0,,,
Cc1nc2cc(-c3sccc3-n3cccc3)nn2c(C)c1C,CID3782424,,,,,,0.0,,,,,,,,,,,
Cc1cc(C)n2nc(-c3sccc3-n3c(C)ccc3C)cc2n1,CID4419762,,,,,,0.0,,,,,,,,,,,
O=C(NCC1CCCO1)C1CCC(=O)N1Cc1ccc(F)cc1,CID5197630,,,,,,,,,,0.0,,,,,,,
O=C(NCC1CCCO1)C1CCC(=O)N1Cc1ccccc1Cl,CID3245714,,0.0,0.0,,,0.0,0.0,,,,,,,,,0.0,
Cc1ccc(CN2C(=O)CCC2C(=O)NCC2CCCO2)cc1,CID3241451,,,,,,,,,,,,,,,,,0.0
O=C(Nc1ccc2nsnc2c1)N1CCCCC1,CID804116,,,,,,,,,,,,0.0,,,,,
CC1CCN(C(=O)Nc2ccc3nsnc3c2)CC1,CID753193,,,,,,,,,,,0.0,,,,,,
CCN(CC)C(=O)C1CCCN(C(=O)Nc2ccc3nsnc3c2)C1,CID2925009,,0.0,,,,,,,,,,,0.0,,,0.0,
N#CC1=C(SCC(=O)Nc2ccccc2)NC(=O)CC1c1ccc(O)cc1,CID3120812,,0.0,,0.0,0.0,,,,,,0.0,,,,,,
COc1ccccc1C1CC(=O)NC(SCC(=O)Nc2ccccc2)=C1C#N,CID3142284,,0.0,,0.0,0.0,,,0.0,0.0,,,,,,,,0.0
COc1cc(C2CC(=O)NC(SCC(=O)Nc3ccccc3C)=C2C#N)ccc1O,CID3135447,,,0.0,0.0,0.0,,0.0,,,,,,,,,,
Clc1ccccc1SCc1nc2ccccc2[nH]1,CID1486624,,,,,,,,,,,,0.0,,,,,
c1ccc(SCc2nc3ccccc3[nH]2)cc1,CID1486498,,,,,,0.0,,,,,,,,,,,
Cc1ccc(SCc2nc3ccccc3[nH]2)cc1,CID1483865,,,,,,0.0,,,,,,,,,,,
COc1ccc(Nc2ncccc2C(=O)NCc2ccccc2)cc1,CID1440879,,,,,,,,,,,0.0,0.0,,,,,
COc1ccccc1Nc1ncccc1C(=O)NCc1ccccc1,CID2964236,,,,,,,,,,,0.0,0.0,,,,,
COc1cccc(Nc2ncccc2C(=O)NCc2ccccc2)c1,CID1440965,,0.0,0.0,,,,,,,,,,,,,,0.0
CCn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1ccccc1,CID652564,0.0,0.0,,,0.0,0.0,,,,0.0,0.0,,,,,0.0,
CCn1c(SCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)nnc1-c1ccccc1,CID2201624,,,,,,,,,,,0.0,0.0,,,,,
COc1ccccc1-c1nnc(SCC(=O)Nc2nc(-c3ccccc3)cs2)n1C,CID654599,,,0.0,,0.0,,,,0.0,0.0,0.0,0.0,0.0,,,,0.0
Cn1c(=O)c2c(nc(SCc3cccnc3)n2Cc2ccccc2)n(C)c1=O,CID652567,0.0,,0.0,0.0,0.0,,,0.0,,,,,0.0,,,0.0,
Cn1c(=O)c2c(nc(SCc3cccnc3)n2Cc2ccc(F)cc2)n(C)c1=O,CID656259,0.0,0.0,0.0,,0.0,0.0,,,,,,,,0.0,,,
Cc1ccc(Cn2c(SCc3cccnc3)nc3c2c(=O)n(C)c(=O)n3C)cc1,CID644657,0.0,,,,0.0,,,0.0,,,0.0,,0.0,,,0.0,
Cc1nc2cc(C(F)(F)F)ccc2n1C1CCN(CC(=O)NC(C)(C)C)CC1,CID654926,0.0,,,,0.0,,,,,,,,,,,,
CCN(CC)C(=O)CN1CCC(n2c(C)nc3cc(C(F)(F)F)ccc32)CC1,CID654058,,,,,0.0,,,,,,,,,,,,
COCCNC(=O)CN1CCC(n2c(C)nc3cc(C(F)(F)F)ccc32)CC1,CID649852,,,,,0.0,,0.0,,0.0,,,,,0.0,,,0.0
COc1ccc(CNC(=O)C2CCCN2S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1,CID654921,,,,,0.0,0.0,,,,,0.0,,,,,,
COc1ccc(CNC(=O)C2CCCN2S(=O)(=O)c2ccc(C)cc2)cc1,CID652545,,,0.0,,0.0,0.0,,,,,,,,,,,
COc1ccc(CNC(=O)C2CCCN2S(=O)(=O)c2ccccc2)cc1,CID3148858,,,0.0,,,,,0.0,,,0.0,0.0,,,,,
CCOC(=O)c1ccc(NC(=O)N2CCN(C3CCCCC3)CC2)cc1,CID1246768,,,,,,,,,0.0,,,0.0,,,,,
COc1ccc(Cl)cc1NC(=O)N1CCN(C2CCCCC2)CC1,CID1246633,0.0,,,,,,,,,,,,,,,,0.0
Cc1cccc(C)c1NC(=O)N1CCN(C2CCCCC2)CC1,CID3244587,,,,,,,,0.0,,,,,,,,,
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)n2nnc3ccccc32)cc1,CID1326637,,,,,,,,,,,0.0,,,,,,
O=C(c1cn(-c2ccccc2)nc1-c1ccccc1)n1nnc2ccccc21,CID1409855,,,,,,,,,,0.0,,,,,,,
COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)n2nnc3ccccc32)c1,CID2140154,,,,,,,,,,,0.0,0.0,,,1.0,,
CC(C)CCN(CCC(C)C)CC(=O)/C(C#N)=C1/NC(c2ccccc2)=CS1,CID5665630,,,,,,0.0,,,,,,,,,,,
CCCCN(C)CC(=O)/C(C#N)=C1/NC(c2ccccc2)=CS1,CID5665657,,,,,,0.0,,,,,,,,,,,
N#C/C(N=O)=C1/NC(c2ccccc2)=CS1,CID5389671,,,,,,0.0,,,0.0,,,,,,,,
Cc1oc(-c2ccccc2F)nc1CS(=O)CC(=O)NCc1cccs1,CID5308665,,,0.0,,,,,,,,,,,,,,
Cc1oc(-c2ccc(Cl)cc2)nc1CS(=O)CC(=O)NCc1cccs1,CID9550453,,,,,,,,,,0.0,,,,,,,
Cc1cccc(-c2nc(CS(=O)CC(=O)NCc3cccs3)c(C)o2)c1,CID6622165,,,,,,,,,,,,0.0,,,,,
COc1ccc2cc3cc(C(=O)NCc4ccco4)oc3nc2c1,CID4416490,,,,,,0.0,,,,,,,,,,,
O=C(NCc1ccco1)c1cc2cc3ccc(Cl)cc3nc2o1,CID3240543,0.0,0.0,,,,,,,,,,,,,,0.0,
Cc1ccc2cc3cc(C(=O)NCc4ccco4)oc3nc2c1,CID3245238,,,,,,0.0,0.0,0.0,,,,,,,,,
Clc1ccc2c(c1)c1ccccc1n2CN1CCOCC1,CID651606,,,,0.0,,,0.0,,,,,,0.0,,,,
Clc1ccc2c(c1)c1cc(Cl)ccc1n2CN1CCOCC1,CID757828,,,,,,,,,,,,0.0,,,,,
c1ccc2c(c1)c1ccccc1n2CN1CCOCC1,CID1713692,,,,,,,,,,0.0,,0.0,,,,,
CCn1c(=O)c(=O)n(CC)c2cc(S(=O)(=O)N3CCc4ccccc43)ccc21,CID5209835,,,,,,0.0,,,,,,,,,,,
Cn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)N3CCc4ccccc43)ccc21,CID1506925,,,,0.0,,,,0.0,,,,,,,,,0.0
CC1Cc2ccccc2N1S(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C,CID3237036,,,,,,,,0.0,,,,,,,,,0.0
CCOc1ccc(N2C(=O)CC(N3CCc4ccccc43)C2=O)cc1,CID2951286,,,,,,0.0,,,0.0,0.0,0.0,,,,,,
COc1ccccc1N1C(=O)CC(N2CCc3ccccc32)C1=O,CID2919102,,,,,,,,,,0.0,,,,,,,
COc1cccc(N2C(=O)CC(N3CCc4ccccc43)C2=O)c1,CID2931733,,,,,,,,,,,0.0,,,,,,
COc1ccc(S(=O)(=O)N(CC(=O)NC2CC2)c2ccc(C)cc2)cc1OC,CID1289072,,,,,0.0,,,0.0,,,,,0.0,,,,
COc1ccc(OC)c(N(CC(=O)NC2CC2)S(=O)(=O)c2ccc(C)cc2)c1,CID986744,,,,,0.0,0.0,,,,,,,,,,,0.0
COc1ccc(S(=O)(=O)N(CC(=O)NC2CC2)c2ccc(C)cc2)cc1,CID1333472,,,,,,,,,,,,,,0.0,,,
CCCCCCC(c1c(C)n(C)n(-c2ccccc2)c1=O)c1c(C)n(C)n(-c2ccccc2)c1=O,CID647152,,,,,,,,,,,,,,,0.0,,
CCCC(c1c(C)n(C)n(-c2ccccc2)c1=O)c1c(C)n(C)n(-c2ccccc2)c1=O,CID73829,,,,,,,,,,,,,,,,,0.0
CCC(c1c(C)n(C)n(-c2ccccc2)c1=O)c1c(C)n(C)n(-c2ccccc2)c1=O,CID658695,,,0.0,0.0,,0.0,,,,,,,,,,,0.0
COc1ccc(S(=O)(=O)N2CCN(C3CCN(Cc4ccccc4)CC3)CC2)cc1,CID1131725,,,0.0,,,,,,,,,,,,,0.0,
O=S(=O)(c1ccccc1)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1,CID1131737,,0.0,,,,0.0,,,,,,,,,,0.0,
O=S(=O)(c1ccc(Cl)cc1)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1,CID1122471,,,,,,,,,,0.0,,0.0,,,0.0,,
COc1cc(C2c3c(-c4ccccc4)n[nH]c3C(=O)N2c2ccc(C(=O)O)cc2)ccc1O,CID9550449,,,,,,0.0,,,,,0.0,,,,,,
COc1ccc(-c2n[nH]c3c2C(c2ccc(OC)c(OC)c2)N(c2ccccc2)C3=O)cc1,CID2890146,,,,,,,,,,0.0,0.0,0.0,,,,,
COc1cc(C2c3c(-c4ccccc4)n[nH]c3C(=O)N2c2ccccc2)ccc1O,CID650608,0.0,,0.0,,,,,,,0.0,,,0.0,,,,0.0
CC1CCCC(NC(=O)c2cn(C)c3ccc(S(=O)(=O)N4CCCC4)cc3c2=O)C1C,CID3237035,,,,,0.0,,,0.0,,,,,0.0,,,,
CC1CCCCC1NC(=O)c1cn(C)c2ccc(S(=O)(=O)N3CCCC3)cc2c1=O,CID3245294,,,,,0.0,,0.0,0.0,,,,,,,,,
Cn1cc(C(=O)NC2CCCCC2)c(=O)c2cc(S(=O)(=O)N3CCCC3)ccc21,CID3236236,,,,0.0,0.0,,,,,,,,,,,,
Clc1ccc2nc(CSc3nc4ccccc4o3)cn2c1,CID658360,0.0,,0.0,0.0,0.0,,,,,0.0,,,,,,,0.0
Clc1c(CSc2nc3ccccc3o2)nc2ccccn12,CID914513,0.0,,0.0,0.0,0.0,,0.0,,,,,,0.0,,0.0,,0.0
c1ccc2oc(SCc3cn4ccccc4n3)nc2c1,CID716574,,0.0,,,,,,,,,0.0,,0.0,,,,0.0
O=C1CC(=O)N(c2ccccc2)N1c1ccccc1,CID17561,,,,,,,,,,,,,,,0.0,,
CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O,CID4781,0.0,,,,,,,,,,,,,,,,
CCCCC1(CC(=O)OC)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O,CID2296395,,,,,,,,,,,,,,0.0,,,
Cc1cccc(C)c1OCC(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N,CID2307658,,,,,,,,,,,0.0,,,,,,
COc1ccccc1OCC(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N,CID1306035,0.0,,,,,,,0.0,,,,0.0,,,,,
Cc1ccc(OCC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1,CID1042823,,,,,,,,,,,0.0,0.0,,,,,
COc1cccc(C(=O)COc2ccc3ccc(=O)oc3c2)c1,CID1332152,,,,,,,,,,,,,,0.0,0.0,,
CC(Oc1ccc2ccc(=O)oc2c1)C(=O)c1ccccc1,CID2888427,,,,,,0.0,,,,,,,,,,,
Cc1cc(=O)oc2cc(OCC(=O)c3ccc(F)cc3)ccc12,CID788625,,,,,,0.0,,,,,,,,,,,
Cc1nnc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)n1-c1ccccc1,CID2567282,,,,,,,,,,,0.0,,,,,,
O=C(CSc1nncn1-c1ccccc1)Nc1ccc(N2CCOCC2)cc1,CID4800285,,,,,,,,,,,,0.0,,,,,
COc1ccc(-n2cnnc2SCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1,CID2078354,,,,,,0.0,,,,,,,,,,,
CCOCCCNC(=O)C(c1ccc(C)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)CNC(C)=O,CID3245878,,0.0,0.0,,,,0.0,,,0.0,,,,,,,
CCOCCCNC(=O)C(c1ccccc1)N(Cc1ccc2c(c1)OCO2)C(=O)CNC(C)=O,CID3242812,,,,,,,,,0.0,,,,,,,,
CC(=O)OCCN(Cc1ccccc1)Cc1ccc2c(c1)OCO2,CID663746,,,,,,,,,,,,,0.0,,,0.0,0.0
CCN1CCN(c2cc(C)c3cc(NC(=O)c4cccnc4Cl)ccc3n2)CC1,CID9551182,,,,,,0.0,,,,,,,,,,,
CCN1CCN(c2cc(C)c3cc(NC(=O)c4cncc(Br)c4)ccc3n2)CC1,CID3239170,,,,,,,,,0.0,,0.0,,,,,0.0,
Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)c3cccnc3Cl)cc12,CID9550657,,,,,,,,,,,,,,,0.0,,
NC(=O)C1CCN(CCC(=O)Nc2ccc3c(c2)CCC3)CC1,CID739952,,,,,,,,,,0.0,,,,0.0,,,
CC1CCN(CCC(=O)Nc2ccc3c(c2)CCC3)CC1,CID739950,,,,,,,,,,0.0,,0.0,,,,,
CCOC(=O)C1CCCN(CCC(=O)Nc2ccc3c(c2)CCC3)C1,CID644893,,,,,0.0,,,0.0,,,,,0.0,0.0,,0.0,
Cc1ccc2c(c1)NC(=O)C(CC(=O)NCCCN1CCN(c3cc(Cl)ccc3C)CC1)O2,CID5309808,,,,,,,,,0.0,,0.0,,,,,,
Cc1ccc2c(c1)NC(=O)C(CC(=O)NCCCN1CCN(c3cc(C)ccc3C)CC1)O2,CID5308568,,,,,,,,,,,,0.0,,,,0.0,
COc1ccc(N2CCN(CCCNC(=O)CC3Oc4ccc(C)cc4NC3=O)CC2)cc1,CID5307203,0.0,0.0,,,,,,0.0,0.0,,,,,,,,
COc1cc(C2C3=C(NN/C3=C3\C=C(Cl)C(C)=CC3=O)C(=O)N2Cc2cccnc2)ccc1O,CID5390024,,,,,,,,,,,,,0.0,,,,
COc1ccc(C2C3=C(NN/C3=C3\C=C(Cl)C(C)=CC3=O)C(=O)N2Cc2cccnc2)cc1OC,CID5390046,,0.0,,,,,,,,,,,,,,,
CC1=CC(=O)/C(=C2/NNC3=C2C(c2cccc(O)c2)N(Cc2cccnc2)C3=O)C=C1Cl,CID5390043,,,,,,,,,,,,,,0.0,,,
CC(=O)c1cccc(NC(=O)COc2nsnc2N2CCOCC2)c1,CID1520492,,,,0.0,,,,,,,,,,,,0.0,
Cc1ccccc1NC(=O)COc1nsnc1N1CCOCC1,CID718667,,,,,,,,,0.0,,,,,,,,
Cc1cccc(NC(=O)COc2nsnc2N2CCOCC2)c1,CID713340,0.0,0.0,,0.0,,,,,0.0,,0.0,,,,,,0.0
Cc1onc(-c2ccccc2Cl)c1C(=O)Oc1cc(N)n(S(=O)(=O)c2ccc(F)cc2)n1,CID3239508,0.0,,,,0.0,,,,0.0,,,,,,,0.0,
COc1ccc(S(=O)(=O)n2nc(OC(=O)c3c(-c4ccccc4Cl)noc3C)cc2N)cc1,CID3235713,0.0,,,,0.0,,,,0.0,,,0.0,,,,,
Cc1ccc(S(=O)(=O)n2nc(OC(=O)c3c(-c4ccccc4Cl)noc3C)cc2N)cc1,CID3241303,0.0,,,,0.0,,,,,,,,0.0,,,,
CNc1nnc(CSc2nc3ccccc3s2)s1,CID652283,,0.0,0.0,,0.0,,,,0.0,,,,,,,,
CCNc1nnc(CSc2nc3ccccc3s2)s1,CID685242,,,,,,,,,0.0,,,,,,0.0,,
CCN(C(C)=O)c1nnc(CSc2nc3ccccc3s2)s1,CID1220427,,,,0.0,0.0,,,,0.0,,,,,,,,
COc1cccc(NC(=O)CSc2ccc3nnc(-c4ccncc4)n3n2)c1,CID5310337,,,0.0,,,,,0.0,,0.0,,,,,,,
O=C(CSc1ccc2nnc(-c3ccncc3)n2n1)Nc1ccccc1F,CID5310574,,,0.0,,,,0.0,,,,,,,,,0.0,
COc1ccccc1NC(=O)CSc1ccc2nnc(-c3ccncc3)n2n1,CID5310533,,,0.0,,,,,,,,,,,,0.0,,
COc1ccc(C2C3=C(CC(C)(C)CC3=O)Nc3c2c(=O)[nH]c(=O)n3Cc2ccccc2)cc1OC,CID2940063,,,0.0,0.0,,,,,0.0,,,0.0,,,,,
COc1cc(C2C3=C(CC(C)(C)CC3=O)Nc3c2c(=O)[nH]c(=O)n3Cc2ccccc2)ccc1O,CID2938079,,,,,,,,,,,,,0.0,,,,0.0
COc1ccc(C2C3=C(CC(C)(C)CC3=O)Nc3c2c(=O)[nH]c(=O)n3Cc2ccccc2)cc1,CID2936186,,,0.0,,,,,,0.0,,,,,,,,0.0
COc1ccc(-n2c(-c3ccccc3)nnc2-c2ccc(Cl)cc2)cc1,CID1037079,,,,,,0.0,,,,,,,,,,,
N#Cc1cccc(-n2c(-c3ccccc3)nnc2-c2ccccc2)c1C#N,CID659944,,,,,,,,,,,,,,0.0,0.0,,
N#Cc1ccc(-n2c(-c3ccccc3)nnc2-c2ccccc2)cc1C#N,CID618453,,,,,,,,,,,,,,,0.0,,
CC12CN(S(=O)(=O)c3ccccc3)CC(C)(CN(S(=O)(=O)c3ccccc3)C1)C2,CID1292076,,,,,,,,,,,0.0,,,,,,
Cc1ccc(S(=O)(=O)N2CC3(C)CN(S(=O)(=O)c4ccc(C)cc4)CC(C)(C2)C3)cc1,CID4129353,,,,,,,,,,0.0,,,,0.0,,,
Cc1ccc(S(=O)(=O)N2CC3(C)CN(S(=O)(=O)c4ccc(C)cc4)CC(C)(C2)C3O)cc1,CID646140,,,0.0,,0.0,0.0,,,,,0.0,,,,,,
COc1cc(OC)cc(-n2nnnc2SCC(=O)NCc2ccc3c(c2)OCO3)c1,CID653538,,,0.0,,,,,0.0,,,0.0,,,,,0.0,
COc1ccc(OC)c(-n2nnnc2SCC(=O)NCc2ccc3c(c2)OCO3)c1,CID649383,,0.0,,,,,,,,,0.0,,0.0,,,,
COc1cccc(-n2nnnc2SCC(=O)NCc2ccc3c(c2)OCO3)c1,CID654256,,,,,,,,,,,0.0,,,,,,
Cc1[nH]ncc1/N=C/c1ccc([N+](=O)[O-])cc1,CID904093,,,,,,,,,,,,,,0.0,,,
Cn1ncc(/N=C/c2ccccc2)c1C(N)=O,CID657438,,0.0,,,,,,,,,0.0,0.0,,0.0,,,
CN(C)c1ccc(/C=N/c2cnn(C)c2C(N)=O)cc1,CID657799,,,0.0,0.0,,,0.0,,,,,0.0,,,,,
COc1ccccc1N(CCC#N)C(=O)CSc1ccc2c(c1)OCCO2,CID2997885,,,0.0,,,,,,,0.0,,,,,,0.0,
Cc1ccc(N(CCC#N)C(=O)CSc2ccc3c(c2)OCCO3)cc1,CID2086786,,,,,,,,,,0.0,,0.0,,0.0,,,
N#CCCN(C(=O)CSc1ccc2c(c1)OCCO2)c1ccccc1,CID2998787,,,0.0,,,,,,0.0,,,,0.0,,,,0.0
CCn1cc(/C=C/C(=O)c2ccc(O)cc2)c(C)n1,CID5736984,,,,,,,,,,,,,,,0.0,,
Cc1c(/C=C/C(=O)c2ccccc2)cnn1C,CID6015853,,,,,,0.0,,,,,,,,,,,
Cc1c(/C=C/C(=O)c2ccc(O)cc2)cnn1C,CID5736857,,,,,,,,,,,,,,,0.0,,
COc1ccc(C2=NOC(C(=O)N3CCOCC3)C2)cc1OC,CID3237717,,,,,,,0.0,,,,,,,,,,
COc1cccc(C2=NOC(C(=O)N3CCOCC3)C2)c1,CID3237549,0.0,,,,,,,,,,,,,,,,
COc1cc(C2=NOC(C(=O)N3CCOCC3)C2)cc(OC)c1OC,CID3242700,,,,0.0,,0.0,,,,,,,,,,,
CCCS(=O)(=O)N1CCCC(C(=O)NCCN(C)Cc2ccccc2)C1,CID3245725,,,,0.0,,,,,,,0.0,,,,,,
CCS(=O)(=O)N1CCCC(C(=O)NCCN(C)Cc2ccccc2)C1,CID3243104,,,,,,,,,,,,,0.0,,,,
CCCS(=O)(=O)N1CCCC(C(=O)NCCN(Cc2ccccc2)C(C)C)C1,CID3241559,,,,,,,,,,0.0,,,,,,,
CC(=O)N1CCC(=O)N(C(C)C)c2ccccc21,CID702389,,,,,,,,0.0,,,,,,,,,
CCC(=O)N1C(=O)CCN(C(C)=O)c2ccccc21,CID777852,,0.0,0.0,,,,,,,,,,,,,0.0,
CCC(=O)N1CC(C)C(=O)Nc2ccccc21,CID3244942,,,,,,,,0.0,,,,,,,,,
CN1CCN(c2ccc(N)c(N3CCN(C)CC3)c2)CC1,CID645450,,,,,,,,,,,,,0.0,,,,
CN1CCN(c2cc(N3CCNCC3)ccc2[N+](=O)[O-])CC1,CID2915590,,,,,,,,,,,,,,,0.0,,
CCOC(=O)N1CCN(c2cc(N3CCN(CC)CC3)c(F)cc2[N+](=O)[O-])CC1C,CID2962999,,,,,,,,,,,,,,,0.0,,
Cc1cccn2c(/C=N/OCc3ccc(F)cc3)c(-c3ccc(Cl)cc3)nc12,CID3805935,,,,,,,,,,,,0.0,,,,,
Cc1ccn2c(/C=N/OCc3ccc(F)cc3)c(-c3ccc(Cl)cc3)nc2c1,CID4271607,,,,,,0.0,,,,,,,,,,,
Fc1cccc(CO/N=C/c2c(-c3ccccc3)nc3ccc(Cl)cn23)c1,CID3722644,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2N)o1,CID713202,,,,,0.0,,0.0,,0.0,0.0,,,,0.0,,,
C=CCn1c(SCC(=O)c2ccc(CNC(C)=O)o2)nc2ccccc2c1=O,CID2572553,,,,,,,,,0.0,,0.0,,,,,,
COCCn1c(SCC(=O)c2ccc(CNC(C)=O)o2)nc2ccccc2c1=O,CID2567018,,0.0,,0.0,,,,,0.0,,0.0,,,,,0.0,0.0
N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)c2ccc[nH]2)c1,CID2547421,,,,,,,,,,,,,,0.0,,,
CC(=O)c1c(C)[nH]c(C(=O)COC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c1C,CID2472824,,,,,,,,,0.0,,,,,,,,
CC(=O)c1c(C)[nH]c(C(=O)COC(=O)CNS(=O)(=O)c2ccccc2)c1C,CID2997689,,,,,,,,,0.0,,,,,,,0.0,
COc1ccccc1NC(=O)Nc1ccc2c(c1)nnn2C,CID893629,,,,,,,,,,,,0.0,,,0.0,,
CCOc1ccc(NC(=O)Nc2ccc3c(c2)nnn3C)cc1,CID893343,,0.0,,,,,,,,,,,,,,,
COc1ccc(N(C)C(=O)Nc2ccc3c(c2)nnn3C)cc1,CID893687,,0.0,0.0,0.0,,,0.0,0.0,,,,0.0,,,0.0,,
CCCn1nnc(NC(=O)COc2ccc(C3CCCCC3)cc2)n1,CID893627,,,0.0,0.0,,,,0.0,,,,,,,0.0,,
Cn1nnc(NC(=O)COc2ccc(C3CCCCC3)cc2)n1,CID936003,,0.0,,,,,,,,0.0,,,,,,,
CCn1nnc(NC(=O)COc2ccc(C3CCCCC3)cc2)n1,CID953175,,0.0,0.0,0.0,,,,,,,0.0,,,,0.0,0.0,
N#CC1(C#N)C2=C(CCCC2)NC(c2ccccc2)C1(C#N)C#N,CID659682,,,,,,,,0.0,,,,,,,,,
COc1ccc(C2NC3=C(CCCC3)C(C#N)(C#N)C2(C#N)C#N)cc1,CID663791,,0.0,0.0,,,0.0,,0.0,,,,,,,,,
CC1CCC(C(C)C)C2=C1C(C#N)(C#N)C(C#N)(C#N)C(c1ccccc1)N2,CID3841540,,,,,,0.0,,,,,,,,,,,
Cc1nnc(SCc2ccccc2)n1CC1CCCO1,CID3168424,,,,,,,,,,,0.0,,,,,,
Cc1nnc(SCc2ccc(Cl)cc2)n1CC1CCCO1,CID647746,0.0,0.0,,0.0,0.0,0.0,,,,0.0,,,,,,,
Cc1nnc(SCc2ccccc2Cl)n1CC1CCCO1,CID655386,0.0,0.0,0.0,0.0,0.0,,,,,,0.0,,,,,,0.0
CCOC(=O)c1ccc2nc(C)c3c(c2c1)OC(C)C3,CID2877576,,,0.0,,,,,0.0,,,,,,,,,
COc1cccc2c3c(c(C)nc12)CC(C)O3,CID2877134,,0.0,0.0,,,,,0.0,,,,,,0.0,,,
COc1ccc2nc(C)c3c(c2c1)OC(C)C3,CID2877133,,,0.0,,,0.0,,0.0,,,,,,,,0.0,
CCCC1(C(=O)OCC)NC(c2ccc(O)cc2)C2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)C21,CID3217597,,,,,,,,,,0.0,,,,,,,
COC(=O)C1(C)NC(c2ccc(O)cc2)C2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)C21,CID651001,,,0.0,,,,0.0,,0.0,,,,,,,,
COC(=O)C1(CCSC)NC(c2ccc(O)cc2)C2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)C21,CID654017,,,0.0,,,,,,,,,,,,,0.0,
Cc1ccc(Cl)cc1N1CCN(Cc2nnnn2Cc2ccco2)CC1,CID655302,0.0,0.0,,,,,0.0,,,,,,,,,,
CC(C)CC(c1nnnn1Cc1ccco1)N1CCN(c2cccc(Cl)c2)CC1,CID647089,0.0,,0.0,,,,,,,,,,,,,,
CC(C)C(c1nnnn1Cc1ccco1)N1CCN(c2cccc(Cl)c2)CC1,CID654892,0.0,,,,,,,,,,,,0.0,,,0.0,
CC(C)C(=O)N1CCC(CNC=C2C(=O)CC(C)(C)CC2=O)CC1,CID768131,,,,,,,,,0.0,,,,,,,,
CC1(C)CC(=O)C(=CNCC2CCNCC2)C(=O)C1,CID777225,,0.0,,0.0,0.0,,,,,,,,,,,0.0,
CC(NCC1CCNCC1)=C1C(=O)CC(C)(C)CC1=O,CID768122,0.0,,,0.0,0.0,,,,,,,,0.0,,,,
O=C(CSc1nc2ccccc2c(=O)n1NC(=O)c1ccccc1)c1ccccc1,CID4444272,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(=O)Nn2c(SCC(=O)c3ccc(Cl)cc3)nc3ccccc3c2=O)cc1,CID3639488,,,,,,0.0,,,,,,,,,,,
O=C(CSc1nc2ccccc2c(=O)n1NC(=O)c1ccccc1)c1ccc(Cl)cc1,CID3703257,,,,,,,,,,0.0,,,,,,,
CCOC(=O)N1CCN(C(=O)C2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)CC1,CID2955887,,,,,,,,,0.0,,,0.0,,,,,
CCOC(=O)N1CCN(C(=O)C2CCCN(S(=O)(=O)c3cc(C)ccc3OC)C2)CC1,CID2974580,,,,,0.0,,,,,,,,,,,0.0,0.0
COc1ccc(S(=O)(=O)N2CCCC(C(=O)N3CCN(C)CC3)C2)cc1C,CID2967443,,,0.0,,,,,,,,,,,,,,
COCCn1c(SCC(=O)Nc2nc(C)c(Cl)cc2Cl)nc2ccccc21,CID2998442,0.0,,,,,,,,,,,,0.0,,,0.0,
COCCn1c(SCC(=O)Nc2ccc(Cl)cn2)nc2ccccc21,CID3985135,,,,,,0.0,,,,,,,,0.0,,,
COCCn1c(SCC(=O)Nc2ncc(Cl)c(C)c2Cl)nc2ccccc21,CID2999956,0.0,,,,,,,,,,,,,,,,
COC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2-c2ccc(OC)c(OC)c2)o1,CID2999717,,,,,0.0,,,0.0,,,,0.0,,,,0.0,
COC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2-c2ccccc2)o1,CID2609912,,,,,,,,,,,0.0,,,0.0,,,
COC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2-c2cccc(OC)c2)o1,CID2595628,,0.0,0.0,,0.0,,,,,0.0,,,,0.0,,0.0,
CCOc1ccc(-c2c(C)n([O-])c3c([n+]2=O)CCCC3)cc1,CID1984052,,,,,,,,,,,,0.0,,0.0,,,
COc1ccc(-c2c(C)n([O-])c3c([n+]2=O)CCCC3)c(OC)c1,CID1846162,,,,,,,,,,,,0.0,,,,,
Cc1c(-c2ccc(Br)cc2)[n+](=O)c2c(n1[O-])CCCC2,CID1606261,,,,,,,,,,,,,,,0.0,,
Cc1ccccc1-n1c(C)cc(/C=C2\NC(=O)NC2=O)c1C,CID1812261,,,,,,,,,,,,,,0.0,0.0,,
Cc1cccc(C)c1-n1c(C)cc(/C=C2\NC(=O)NC2=O)c1C,CID1812248,,,,,,,,,0.0,,0.0,0.0,,,,,
Cc1cccc(-n2c(C)cc(/C=C3/NC(=O)NC3=O)c2C)c1,CID714799,,,,,,0.0,,,,,,,,,,,
CSc1nc(N2CCCC2)c2c(c1C#N)CC(C)(C)OC2,CID658791,,,,,,,0.0,,,,0.0,0.0,,,,,
CCCSc1nc(N2CCCC2)c2c(c1C#N)CC(C)(C)OC2,CID658970,0.0,,,,,,,,,,,,,,0.0,,0.0
CC(C)Sc1nc(N2CCCC2)c2c(c1C#N)CC(C)(C)OC2,CID658997,0.0,,,,,,0.0,,,,,,0.0,0.0,,0.0,0.0
Cc1cc(C)n(-c2nnc(C)n2/N=C/c2ccccc2F)n1,CID658790,,0.0,,,,,,,,,,,,,,,
COc1ccccc1/C=N/n1c(C)nnc1-n1nc(C)cc1C,CID3250041,,,,,,,,,0.0,,,,,,,,
Cc1cc(C)n(-c2nncn2/N=C/c2ccccc2F)n1,CID3245137,,,,,,,,,,,0.0,,0.0,,,,
COc1ccc(N2CCN(C(CNC(=O)c3ccco3)c3cccnc3)CC2)cc1,CID3238557,0.0,,,0.0,,,,0.0,,,,,0.0,,,,
COc1ccccc1N1CCN(C(CNC(=O)c2ccco2)c2cccnc2)CC1,CID3576787,,,0.0,,,,,,,,,,,,,,
O=C(NCC(c1cccnc1)N1CCN(c2ccccc2)CC1)c1ccco1,CID3239948,0.0,,,,,,,,,,,,,,,,0.0
Cc1cccc(OCC(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c1C,CID1216073,,,,,,,,,,0.0,,,,,0.0,,
Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc2c(c1)OCO2,CID689589,,,,,,0.0,,,,,,,,,,,
O=C(COc1ccccc1)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2,CID759290,,,,,,,,,,0.0,,,,,,,
COc1cc(OC)c(-c2nc3cnccc3n2C)cc1OC,CID747037,,,,,,,,,,,,,0.0,,,,
CCN(CC)c1ccc(-c2nc3cnccc3n2C)cc1,CID660100,,,,0.0,,,,0.0,,,,,0.0,,,,
COc1cc(-c2nc3cnccc3n2C)cc(OC)c1OC,CID655187,,,,,,,,,0.0,,,0.0,0.0,,,,
Cc1cc(C)cc(OCc2nnc(SCC(=O)N3CCN(c4ccccc4)CC3)o2)c1,CID2301866,0.0,,0.0,,,,,,,,0.0,,,,,0.0,0.0
O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)N1CCN(c2ccccc2)CC1,CID2155838,0.0,0.0,0.0,0.0,0.0,,,,,,0.0,,,,,,0.0
O=C(CSc1nnc(COc2ccccc2)o1)N1CCN(c2ccccc2)CC1,CID2155845,0.0,,0.0,,,,,0.0,,,,,,,,0.0,0.0
CCCCC(=O)C1C(=O)NC(=O)NC1=O,CID598513,,,,,,,,0.0,,,0.0,,,,,,
COC(=O)CC1(CC(=O)OC)C(=O)NC(=O)NC1=O,CID2179707,,,,,,,,,,,,,,0.0,,,
CCCC(=O)C1C(=O)NC(=O)NC1=O,CID593113,,,,,,,,0.0,,,,,,,,,
CCn1c(SCC(=O)c2ccccc2)nc2c(c1=O)SC(C)C2,CID3245688,,,,,0.0,,,,,,,,,,,,0.0
COCCn1c(SCC(=O)c2ccccc2)nc2c(c1=O)SC(C)C2,CID3245340,,,,,0.0,0.0,,,,,,,,,,,
COCCn1c(SCC(=O)c2ccccc2)nc2c(c1=O)SCC2,CID7197635,,,,,,,,,,,,,,,0.0,,
CC(C)c1ccc(N2C(=O)NC(=O)/C(=C\c3cnc(-c4ccccc4)nc3)C2=O)cc1,CID1981781,,,,,,0.0,,,,,,0.0,,,,,
CC(C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cnc(-c4ccccc4)nc3)C2=O)cc1,CID1981782,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cnc(-c4ccccc4)nc3)C2=O)cc1,CID2202252,,,,,,,,,,,,,,,0.0,,
CS(=O)(=O)N(CC(=O)NCCSCc1cccc(Cl)c1)c1ccc2c(c1)OCO2,CID2223195,,,,,,,,,,,,,0.0,,,,
Cc1ccccc1CSCCNC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O,CID2228185,,,0.0,,0.0,,0.0,,,,,,0.0,,,,
CS(=O)(=O)N(CC(=O)NCCSCc1c(F)cccc1Cl)c1ccc2c(c1)OCO2,CID2231913,,,,,,,,,,,,,0.0,,,,
Cc1cccc(C)c1N1CCN(C(=O)N2CCCCC2)CC1,CID974947,,,,,,,,,,,,,,0.0,0.0,,
Cc1cccc(N2CCN(C(=O)N3CCCCC3)CC2)c1C,CID889032,,,,,,,,,,,,,,,0.0,,
O=C(N1CCCCC1)N1CCN(c2ccc(Cl)cc2)CC1,CID977233,,,,,,,0.0,,,,,,0.0,,,,
CCC(C)C1N=C(c2ccccc2)c2cc(Cl)ccc2N(CC(=O)NCc2ccco2)C1=O,CID9550458,,,,,,0.0,,,,,,,,,,,
O=C(CN1C(=O)CN=C(c2ccccc2)c2ccccc21)NCc1ccco1,CID3239992,0.0,,0.0,,,,,0.0,,0.0,0.0,0.0,,,,,
O=C(CN1C(=O)CN=C(c2ccccc2Cl)c2cc(Cl)ccc21)NCc1ccco1,CID3242322,0.0,,,,,,,,,,,,,,,,
COc1ccc(N2CCN(C(=O)C3CCC(Cn4c(=S)[nH]c5ccccc5c4=O)CC3)CC2)cc1,CID3240101,,,,,,,,0.0,,,,,,,,,0.0
O=C(C1CCC(Cn2c(=S)[nH]c3ccccc3c2=O)CC1)N1CCN(c2ccccc2)CC1,CID2952511,0.0,,0.0,,,,,,,,,,,,,,
COc1ccccc1N1CCN(C(=O)C2CCC(Cn3c(=S)[nH]c4ccccc4c3=O)CC2)CC1,CID3241069,0.0,,,,,0.0,,0.0,,,,,,,,,0.0
Cc1cc(C)c2c(=O)nc(SCC(=O)Nc3ccc(N(C)C)cc3)[nH]c2n1,CID5438900,,,,,,0.0,,,,,,,,,,,
COc1ccccc1NC(=O)CSc1nc(=O)c2c(C)cc(C)nc2[nH]1,CID5438899,,,,,,,,,,,0.0,,,,,,
Cc1cc(C)c2c(=O)nc(SCC(=O)Nc3ccccc3)[nH]c2n1,CID5395428,,,,,,,,,,,0.0,,,,,,
c1ccc(Cc2nc(-c3ccccn3)no2)cc1,CID807554,0.0,0.0,,0.0,,,,,,,,,,,,,0.0
COc1ccc(Cc2nc(-c3ccccn3)no2)cc1,CID1082793,,,,,,0.0,,,,,,0.0,,,0.0,,
CCC(c1ccccc1)c1nc(-c2ccccn2)no1,CID2924453,0.0,,,,,,0.0,,,,,,,,,,
Cc1ccc(/C=N/n2cnnc2)s1,CID668418,,,,,,,,,,,0.0,,,,,,
Cc1ccc(/C=N/n2c(C)nnc2C)s1,CID3132973,,,,,,,,,,,,,,,,0.0,
Cc1nnc(C)n1/N=C/c1cccs1,CID726904,,,,0.0,,,,,,,0.0,,,,,,
COc1cccc2c1CC/C(=C\c1ccccc1)C2=O,CID2272164,,,,,,0.0,,,,,,,,,,,
O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)CCc2ccccc21,CID1559440,,,,,,,,,,,,,,0.0,,,
COc1cccc2c1CC/C(=C\c1ccc(N(C)C)cc1)C2=O,CID706267,,,,,,0.0,,,,,,,,,,,
O=C(Nc1cccc(Br)c1)c1ccc(CSc2ccccc2)cc1,CID2271200,,,,,,,,,,,,0.0,,,,,
Cc1ccc(SCc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)cc1,CID1251350,,,,,,,,,,,,,,0.0,,,
Cc1ccc(SCc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1,CID1255671,,,,,,,,,,,,,,,0.0,,
CCOC(=O)CSc1nnc(SCCN2C(=O)c3ccccc3C2=O)s1,CID2767738,,,,,,,,,0.0,0.0,,,,,,,
Nc1nnc(SCCN2C(=O)c3ccccc3C2=O)s1,CID2488254,,,,,,,,,,,,,,0.0,,,
O=C1c2ccccc2C(=O)N1CCSc1nncs1,CID2532262,0.0,0.0,,0.0,,,,,0.0,0.0,,,0.0,0.0,,,
Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CN2CCCC(C)C2)n1,CID2999367,,0.0,,,,,,,,,,,,,,,
CCC1CCCCN1CC(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1,CID2997733,,0.0,,,,,,,,,,,,,,,
Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CN2CCC(C)CC2)n1,CID2334604,,,,,,,0.0,,,,,,,,,,
O=C(Nc1ccccc1Br)c1ccc(OC(=S)N2CCOCC2)cc1,CID1096980,,,,,,,,,,,,,,,0.0,,
O=C(Nc1cccc(Cl)c1)c1ccc(OC(=S)N2CCOCC2)cc1,CID1048723,,,,,,,,,,,,,,,0.0,,
Cc1ccc(NC(=O)c2ccc(OC(=S)N3CCOCC3)cc2)cc1,CID1040793,,,,,,0.0,,,,,,,,0.0,,,
Cc1cc(C(=O)CSc2nnc(Nc3ccccc3)s2)c(C)n1CC1CCCO1,CID2998364,0.0,,0.0,0.0,0.0,,,,,,,,,,,0.0,0.0
Cc1cc(C(=O)CSc2nnc(Nc3ccccc3F)s2)c(C)n1CC1CCCO1,CID2999986,,0.0,,,0.0,,,,,0.0,0.0,,,,,,
COc1ccccc1Nc1nnc(SCC(=O)c2cc(C)n(CC3CCCO3)c2C)s1,CID4880477,,,,,,0.0,,,,,,,,,,,
COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2Cc2ccccn2)cc1,CID664086,0.0,0.0,,0.0,,0.0,,,,,,,,,,,
Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2Cc2ccccn2)cc1,CID664496,0.0,0.0,,,,,,0.0,,,0.0,,,,,,
Cn1c(=O)c2c(-c3ccccc3)n(Cc3ccccn3)cc2n(C)c1=O,CID664477,0.0,,0.0,0.0,,,,,,,,,,,,,
COc1ccccc1/C=C/C(=O)NCC(=O)N/N=C/c1cc(Br)ccc1OC,CID1908666,,,,,,,,,0.0,,,,,,,,
COc1ccccc1/C=C/C(=O)NCC(=O)N/N=C(\CCC(=O)O)c1ccccc1,CID16195606,,,,,,,,,,,,,,,0.0,,
COc1ccc(/C=C/C(=O)NCC(=O)N/N=C/c2cc(Br)ccc2OC)cc1,CID9550201,,,,,,,,,,,,0.0,,,,,
CCC1=Nc2cc(C(=O)O)ccc2Sc2ccc(Cl)cc21,CID6624370,,,,,,,,,,,,,,,0.0,,
CCC1=Nc2cc(C(=O)NCCCOC(C)C)ccc2Sc2ccccc21,CID9551192,,,,,,,,,,,0.0,,,,,,
CCC1=Nc2cc(C(=O)NCCCOC)ccc2Sc2ccccc21,CID9551193,,,,,,,,,,,0.0,,,,,,
CC(=O)n1nc(-c2ccco2)nc1SCc1ccccc1,CID3586643,0.0,0.0,,0.0,0.0,,,0.0,,,,,,,,0.0,
CCCC(=O)n1nc(-c2ccco2)nc1SCc1ccccc1,CID3586644,0.0,0.0,0.0,,0.0,,0.0,,,,,,0.0,,,0.0,
CCC(=O)n1nc(-c2ccco2)nc1SCc1ccccc1,CID976504,,,,,0.0,,,,,,,,,,,0.0,0.0
Cc1ccc2[nH]c(=O)c(C(c3nnnn3C(C)(C)C)N(Cc3ccco3)CC3CCCO3)cc2c1,CID653939,,,,,,,,,,0.0,,,,,,,
COc1ccc2[nH]c(=O)c(C(c3nnnn3C(C)(C)C)N(Cc3ccco3)CC3CCCO3)cc2c1,CID645974,,,,,,,,,,0.0,,0.0,0.0,,,,
Cc1cccc2cc(C(c3nnnn3C(C)(C)C)N(Cc3ccco3)CC3CCCO3)c(=O)[nH]c12,CID3150187,,,,,,,,,,,,0.0,,,0.0,,
O=C1CC(N2CCN(c3nc4ccccc4s3)CC2)C(=O)N1c1ccc(F)cc1,CID2936391,0.0,,0.0,,0.0,,,0.0,,,,,,,,,
COc1ccc(N2C(=O)CC(N3CCN(c4nc5ccccc5s4)CC3)C2=O)cc1,CID2936883,,,,0.0,,,,0.0,,,,,0.0,,,0.0,0.0
CCCOc1ccc(N2C(=O)CC(N3CCN(c4nc5ccccc5s4)CC3)C2=O)cc1,CID2984612,0.0,,0.0,,,,,,,,,,,,,0.0,0.0
CCOC(=O)N1CCC(NS(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)CC1,CID3243921,,,,0.0,,,,,,,,,,,0.0,,
CCOC(=O)N1CCC(NS(=O)(=O)c2ccc3c(c2)OCC(=O)N3)CC1,CID3239619,,,,,,,,,0.0,,,,0.0,,,0.0,
CCOC(=O)N1CCC(NS(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1,CID3235625,,,,0.0,,,,,,,,,,,,,
COc1ccccc1Nc1n[nH]c(=S)s1,CID707046,,,,,,,,,,,,,,0.0,,,
Cc1cccc(Nc2n[nH]c(=S)s2)c1C,CID2374693,,,0.0,,,,0.0,,,,,,,,,,
S=c1[nH]nc(Nc2ccccc2Cl)s1,CID696247,,,,,,,,,,,,,,0.0,,,
Cc1cccc2cc(C(c3nnnn3Cc3ccc4c(c3)OCO4)N3CCC(C)CC3)c(=O)[nH]c12,CID649021,,,,,,,,,,,,0.0,,,,,0.0
Cc1cc(C)c2[nH]c(=O)c(C(c3nnnn3Cc3ccc4c(c3)OCO4)N3CCCCC3)cc2c1,CID649395,,,,,,,,,,0.0,,,0.0,,,,0.0
Cc1cc(C)c2[nH]c(=O)c(C(c3nnnn3Cc3ccc4c(c3)OCO4)N3CCC(C)CC3)cc2c1,CID650956,,,,,,,,,,,,0.0,,,,,
COc1ccc(NC(=O)CSc2c(C)n[nH]c2C)cc1,CID974625,,,,,,,,,,0.0,,,,,,,
Cc1n[nH]c(C)c1SCC(=O)Nc1ccc(F)cc1,CID974624,,0.0,,,,,,,,0.0,,,,,,,0.0
CCOc1ccccc1NC(=O)CSc1c(C)n[nH]c1C,CID1243801,,,,0.0,0.0,,0.0,,,,0.0,,,,,0.0,
COCc1cc(=O)n2[nH]c(SCc3ccccc3)nc2n1,CID1975172,,,,,,,,,0.0,0.0,,0.0,,,,,
CCCc1cc(=O)n2[nH]c(SCc3ccccc3)nc2n1,CID666788,0.0,,0.0,,,,0.0,,,0.0,,,0.0,,,,
Cc1cc(=O)n2[nH]c(SCc3ccccc3)nc2n1,CID1965647,,,,,,,,,,0.0,,0.0,,,,,
COC(=O)c1nnn(-c2nonc2N)c1-c1cccs1,CID3235783,,,,,,,,,,,,,,,,0.0,
Nc1nonc1-n1nnc(C(=O)O)c1-c1cccs1,CID2201573,,,,0.0,,,,,,,,,0.0,,,,
CCOC(=O)c1nnn(-c2nonc2N)c1-c1cccs1,CID3236615,,1.0,0.0,1.0,,,,0.0,,0.0,0.0,,,,,,
Cc1cc(C(=O)CSc2nnc(N)s2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O,CID2535416,,,,,,,,,0.0,0.0,,0.0,,,,,
Cc1cc(C(=O)CSc2nncs2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O,CID2532054,0.0,,,,,,,,,,0.0,,,,,0.0,
Cc1nnc(SCC(=O)c2cc(C)n(-c3c(C)n(C)n(-c4ccccc4)c3=O)c2C)s1,CID2507342,,,0.0,0.0,,0.0,,,,,,,,,,,0.0
COC(=O)CN1C(=O)Nc2ccc(Br)cc2C1c1ccccc1,CID2870418,,,,,,,,,0.0,,,,,,,,
CCOC(=O)CN1C(=O)Nc2ccc(Br)cc2C1c1ccccc1,CID2862026,,,,,,,,,0.0,,,,,,,,
O=C(O)CN1C(=O)Nc2ccc(Br)cc2C1c1ccccc1,CID2857625,,,,,,,0.0,,0.0,,,,,,0.0,0.0,0.0
CC(=O)Nc1ccc(S(=O)(=O)NC2=NCN(CCOC(=O)c3ccccc3)CN2)cc1,CID2929353,,0.0,,,0.0,,,,,,,,0.0,,,,
Cc1ccc(S(=O)(=O)NC2=NCN(CCOC(=O)c3ccccc3)CN2)cc1,CID1072563,,,,,,,,,,,0.0,,,,,,
Cc1ccc(S(=O)(=O)NC2=NCN(CCOC(=O)c3ccc([N+](=O)[O-])cc3)CN2)cc1,CID2174649,,,,,,,,,0.0,,,,,,,,
O=C(c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1Br)N1CCCc2ccccc21,CID1043227,0.0,,,,,,,,,,,,,,,,0.0
CC1CCc2cc(F)ccc2N1C(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1,CID655084,,,,,0.0,,0.0,,,,,,,,,,
O=C(c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1)N1CCCc2ccccc21,CID654073,0.0,,,,0.0,,,,,,,,,,,,0.0
COc1ccc(N2CCN(C(=O)c3cccc(N4C(=O)C5CC=CC(C)C5C4=O)c3)CC2)cc1,CID3242201,,,,,0.0,,,,0.0,,,,,,,,
O=C(c1cccc(N2C(=O)C3CC=CCC3C2=O)c1)N1CCN(c2ccccc2)CC1,CID3240146,0.0,,,,0.0,,,,0.0,,,,,,,,
CC1C=CCC2C(=O)N(c3cccc(C(=O)N4CCN(c5ccc(F)cc5)CC4)c3)C(=O)C12,CID3241627,,0.0,,,,,,,0.0,0.0,,,,,,0.0,
CCOc1cc(C(=S)N2CCOCC2)ccc1OS(=O)(=O)c1ccc(C)cc1,CID2267426,,,,,,0.0,,,,,,,,,,,
CCOc1cc(C(=S)N2CCOCC2)ccc1OS(=O)(=O)c1ccc(NC(C)=O)cc1,CID1796835,,,,,,0.0,,,,,,,,,,,
CCOc1cc(C(=S)N2CCOCC2)ccc1OS(=O)(=O)c1ccccc1,CID1796825,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC(=O)CS(=O)CC(=O)N(CC(=O)NC2CCCC2)c2cccc(C)c2C)cc1,CID655819,,,,,0.0,,,,,0.0,0.0,,0.0,,,,0.0
Cc1ccc(NC(=O)CS(=O)CC(=O)N(CC(=O)NC2CCCC2)c2cc(C)ccc2C)cc1,CID647362,,,,,0.0,,,,,,,,,,,,0.0
Cc1ccc(NC(=O)CS(=O)CC(=O)N(c2ccccc2)C(C)C(=O)NC2CCCC2)cc1,CID651582,,,,,0.0,,,0.0,0.0,0.0,0.0,,,,,,0.0
O=C(NC1=NCCS1)c1sc2cc(Cl)cc(Cl)c2c1Cl,CID2431436,,,,,,,,,,,,,,0.0,,,
O=C(NC1=NCCS1)c1sc2ccccc2c1Cl,CID760217,,,,,,,,,,,,,,0.0,0.0,,
O=C(NC1=NCCS1)c1sc2cc(F)ccc2c1Cl,CID2386708,,,,,,,,,,,,,,,0.0,,
CCCCN1C(=O)NC(=O)C2(Cc3c(nc4ccccn4c3=O)N3CCc4ccccc4C32)C1=O,CID667405,,,,,,,,,,,,,0.0,,,,
CN1C(=O)N(C)C(=O)C2(Cc3c(nc4ccccn4c3=O)N3CCc4ccccc4C32)C1=O,CID665864,,,,,,0.0,,,,,,,,,,,
CCCCN1C(=O)NC(=O)C2(Cc3c(nc4c(C)cccn4c3=O)N3CCc4ccccc4C32)C1=O,CID665875,,,,,,,0.0,,,,,,,,,,
Cc1ccc(-n2c(SCC(=O)N3CCOCC3)nnc2-c2ccncc2)cc1,CID1071783,,0.0,,,,,,0.0,,,0.0,,,,,0.0,
CC1CN(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)CC(C)O1,CID2999718,0.0,,0.0,0.0,,,,,,,0.0,,,,,0.0,0.0
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)N1CCOCC1,CID1081378,0.0,,0.0,,0.0,,,,,,0.0,,,,,,0.0
COCCNC(=O)C(OC(=O)C1=Cc2ccccc2OC1)C(C)C,CID3230513,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)CC(=O)O)c2c1C=CC(C)(C)O2,CID795044,,,,,,0.0,,,,,,,,,,,
CC(C)CC(NC(=O)OC(C)(C)C)C(=O)N/N=C/C1=Cc2ccccc2OC1C,CID9551696,,,,,,,,,,,0.0,,,,,,
Cc1ccnc(NC(=O)c2cc(-n3cnnc3)ccc2Cl)c1,CID834470,,,,,,,,,,0.0,,,,,0.0,,
O=C(Nc1ccccn1)c1cc(-n2cnnc2)ccc1Cl,CID1263310,0.0,,0.0,,,,0.0,,,,,,0.0,,,,
Cc1nc(NC(=O)c2cc(-n3cnnc3)ccc2Cl)ccc1Br,CID1017690,,,,,,,,,0.0,,,0.0,,,,,
Cc1cc(NC(=O)c2noc3c2CCCC3)nn1Cc1ccc(Cl)cc1,CID3239873,0.0,0.0,,,,0.0,0.0,,,,,,,,,,0.0
Cc1ccc(Cn2ccc(NC(=O)c3noc4c3CCCC4)n2)cc1,CID3240588,0.0,0.0,0.0,0.0,,,0.0,,,0.0,,,,,,0.0,0.0
Cc1ccc(Cn2ccc(NC(=O)c3noc4c3CC(C(C)(C)C)CC4)n2)cc1,CID3243291,0.0,,,0.0,,,,,,,,,,0.0,,,
Cc1cccc(/C=N/NC(=O)c2csnn2)c1,CID1491459,,,,,,0.0,,,,,,,,,,,
Cc1ccccc1/C=N/NC(=O)c1csnn1,CID1491456,,,,,,0.0,,,,,,,,,0.0,,
CN(C)c1ccc(/C=N/NC(=O)c2csnn2)cc1,CID1491454,,,,,,0.0,,,,,,,,,,,
c1ccc(-n2cnnc2SCc2nc3ccccc3s2)cc1,CID2572847,0.0,,,0.0,0.0,,,,,0.0,,,0.0,0.0,,,
Cc1nnc(SCc2nc3ccccc3s2)n1-c1ccccc1,CID2528563,0.0,,0.0,,0.0,,,,,0.0,0.0,,,,,,
Cc1ccccc1-n1c(C)nnc1SCc1nc2ccccc2s1,CID2543587,0.0,0.0,,0.0,0.0,0.0,,,,0.0,,,,0.0,,,
CC1Cc2ccccc2N1C(=O)CN1C(=O)COc2ccccc21,CID3224939,,,,,,,,,,,0.0,,,0.0,,,
CC1Oc2ccccc2N(CC(=O)N2CCc3ccccc32)C1=O,CID649094,,,0.0,0.0,,,,0.0,,,,,0.0,,,,
O=C(CN1C(=O)COc2ccc(Cl)cc21)N1CCc2ccccc21,CID956509,0.0,0.0,,,,,,,,0.0,,,0.0,,,0.0,0.0
O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccc(F)cc1F,CID4213222,,,,,,,,,,,,,,0.0,,,
N#Cc1ccccc1NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1,CID2353476,,,0.0,0.0,,,,,,,0.0,,0.0,0.0,,0.0,
N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1,CID2432862,,,,,,,,,,,,0.0,,,,,
Cc1cccc(NS(=O)(=O)c2cc(C(=O)OCC(=O)Nc3cc(C)on3)ccc2C)c1,CID2117728,,,,,,,,,,,,,,,,0.0,0.0
Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)OCC(=O)Nc3cc(C)on3)c2)c1,CID2117743,,,0.0,,,,,0.0,0.0,,,,,,,,0.0
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2cc(C)on2)c1,CID2116681,,,,,,,,,,,,0.0,,,,,
COCCCNC(=O)c1ccc(C2SCC(=O)N2Cc2ccco2)cc1,CID6488404,,,,,,,,,,,,,,0.0,,,
CC(C)CCNC(=O)c1ccc(C2SCC(=O)N2Cc2ccco2)cc1,CID5145940,,,,,,,,,,,,0.0,,,,,
CCNC(=O)c1ccc(C2SCC(=O)N2Cc2ccco2)cc1,CID3158855,,,,,,0.0,,,0.0,,,,,,,,
Cn1c(OCc2cccnc2)nc2c1c(=O)n(Cc1ccc(Br)cc1)c(=O)n2C,CID659286,0.0,,,,,,0.0,,0.0,,0.0,,,,,,
Cn1c(OCc2cccnc2)nc2c1c(=O)n(Cc1ccc(Cl)cc1)c(=O)n2C,CID657856,0.0,,0.0,,,,0.0,,,,,,,,,,0.0
Cn1c(OCc2cccnc2)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C,CID657613,0.0,0.0,,,,,,,,,,,,,,,
CCOC(=O)CSc1nnc2n(Cc3ccccc3)c(=O)c3c4c(sc3n12)CCC4,CID658153,0.0,,0.0,,,0.0,0.0,,,0.0,,,,,,,
CCCSc1nnc2n(Cc3ccccc3)c(=O)c3c4c(sc3n12)CCC4,CID658072,0.0,,,,0.0,,,,,0.0,,,,,,,
C=C(C)CSc1nnc2n(Cc3ccccc3)c(=O)c3c4c(sc3n12)CCC4,CID1371886,,,,,,0.0,,,,0.0,0.0,,,,,,
CCOC(=O)c1c(NC(=O)CSc2nnc(Cc3ccccc3)o2)sc(C)c1C,CID1162767,,,,,,,,,,,0.0,0.0,,,0.0,,
CCOC(=O)c1sc(NC(=O)CSc2nnc(Cc3ccccc3)o2)c(C(=O)OCC)c1C,CID2970180,,,,,,,,,,,0.0,,,,,,
CCOC(=O)c1sc(NC(=O)CSc2nnc(Cc3ccccc3)o2)c(C#N)c1C,CID2222655,,0.0,,0.0,,,,,,0.0,0.0,,0.0,,,0.0,0.0
COc1ccc(CCNC(=O)CSc2ccsc2[N+](=O)[O-])cc1OC,CID16193850,,,,,,,,,,,,,,,0.0,,
CCC(Cc1ccccc1)NC(=O)CSc1ccsc1[N+](=O)[O-],CID9551175,,,,,,,,,,,,,,,0.0,,
NS(=O)(=O)c1ccc(CCNC(=O)CSc2ccsc2[N+](=O)[O-])cc1,CID16195466,,,,,,,,,,,,,,0.0,,,
O=C(CCCN1C(=O)c2ccccc2C1=O)Oc1ccc(F)cc1,CID891184,,,,,,,,,,,,,,,,0.0,
COc1ccc(OC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1,CID891156,,,0.0,,,,,,,,,,0.0,,0.0,0.0,0.0
O=C(CCCN1C(=O)c2ccccc2C1=O)Oc1ccc(Cl)cc1,CID888844,,,,,,,,,,,,,,0.0,,,
N#Cc1c2n(c3c(=O)n(Cc4ccccc4)cnc13)CCCC2,CID755498,,,0.0,,,,,,,,,0.0,,0.0,,,
N#Cc1c2n(c3c(=O)n(Cc4ccc(Cl)cc4)cnc13)CCCC2,CID741272,,,,,,,,,,,,,,,,,0.0
N#Cc1c2n(c3c(=O)n(Cc4ccccc4Cl)cnc13)CCCC2,CID658216,0.0,0.0,0.0,,,0.0,,,,,,,,,,,
O=C(CN1C(=O)C2CC=C(Cl)CC2C1=O)Nc1ccc(C(=O)O)cc1,CID2938683,,,0.0,,,,,,,,,,,,,,
Cc1ccc(NC(=O)C(C)N2C(=O)C3CC=C(Cl)CC3C2=O)cc1,CID2946618,,0.0,,,,,0.0,,,0.0,,,,,,,0.0
CCOc1ccc(NC(=O)CN2C(=O)C3CC=CCC3C2=O)cc1,CID2969793,,,,,,,0.0,0.0,,0.0,,,,,,,0.0
Cc1nc2ncnn2c(C)c1CCC(=O)NCCc1ccccc1,CID9551316,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C(Cc1ccccc1)NC(=O)CCc1c(C)nc2ncnn2c1C,CID3235921,,0.0,0.0,0.0,,,,,,,,,,,,,
CCOC(=O)C(Cc1ccccc1)NC(=O)CCc1c(C)nc2nc(C)nn2c1C,CID9550069,,,,,,,,,,,0.0,,,0.0,,,
N#Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1,CID2082741,,,,,,,,,,,,,,,0.0,,
N#Cc1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c1,CID2161667,,,,0.0,,0.0,,,,,0.0,,0.0,,0.0,,
Cc1ccc(C)c(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c1,CID2451137,,,,,,,,,,,,0.0,,,0.0,,
O=S(=O)(NCc1ccc(Cl)cc1)c1cnc[nH]1,CID3245048,,0.0,0.0,0.0,,,,,,,,,0.0,,,,
O=S(=O)(NCc1ccccc1)c1cnc[nH]1,CID3242365,,0.0,,,,0.0,,0.0,,0.0,,,,,,,
O=S(=O)(NCc1ccccc1Cl)c1cnc[nH]1,CID3243085,,0.0,,,,,,,,,,,,,,,0.0
O=C(Nc1ccccc1)N1CCCN(Cc2ccccc2F)C1,CID3244711,,,,,,0.0,,0.0,,,,0.0,,,,,
Cc1ccc(NC(=O)N2CCCN(Cc3ccc(F)cc3)C2)cc1C,CID3242591,,,0.0,0.0,,,,0.0,,0.0,,,,,,,
O=C(Nc1ccc(Cl)cc1)N1CCCN(Cc2ccccc2F)C1,CID4095944,,,,,,,,,,,0.0,,,,,,
O=C1c2ccsc2SCCN1Cc1ccc(Cl)cc1,CID1487595,,,,,,0.0,,,,,,,,,,,
O=C1c2ccsc2SCCN1Cc1cccc(Cl)c1,CID1488897,,,,,,0.0,,,,0.0,,,,,0.0,,
O=C1c2ccsc2SCCN1Cc1ccccc1Cl,CID1488891,,,,,,,,,,0.0,,,,0.0,0.0,,
O=S(=O)(N/N=C1\CCCc2ccccc21)c1ccc(Br)cc1,CID1012343,,,,,,,,,0.0,,0.0,,,,,,
Cc1ccc(C)c(S(=O)(=O)N/N=C2\CCCc3ccccc32)c1,CID3957440,,,,,,0.0,,,,,,,,0.0,,,
Cc1cc(C)c2c(c1)/C(=N/NS(=O)(=O)c1ccccc1)CCC2,CID4965397,,,,,,,,,,,,0.0,,,,,
CCSc1nnc(-c2ccc(S(=O)(=O)NCc3cccs3)cc2)o1,CID654811,,,,,0.0,,,,0.0,,,,0.0,0.0,,,
CCOC(=O)CSc1nnc(-c2ccc(S(=O)(=O)NCc3cccs3)cc2)o1,CID3221353,,,,,,,,,0.0,,0.0,,,,,,
COC(=O)CSc1nnc(-c2ccc(S(=O)(=O)NCc3cccs3)cc2)o1,CID654710,,,,,0.0,,,,0.0,,,,,,,,
CC(C)CN1C(=O)NC(NC(=O)c2ccco2)(C(F)(F)F)C1=O,CID664405,,,,,,,,,0.0,,,,,,,,
CN1C(=O)NC(NC(=O)c2ccco2)(C(F)(F)F)C1=O,CID662397,,,,,,,,,0.0,,,,,,,,
CCCCN1C(=O)NC(NC(=O)c2ccco2)(C(F)(F)F)C1=O,CID2962308,,,,,,,,,,,,0.0,,,,,
O=C(CN1CCN(c2nc(-c3ccccc3)cs2)CC1)Nc1ccc2c(c1)OCO2,CID651738,0.0,,,0.0,,,,,,,0.0,,,,,,0.0
COc1cccc(-c2csc(N3CCN(CC(=O)Nc4ccc5c(c4)OCO5)CC3)n2)c1,CID647738,,,,,,,0.0,0.0,0.0,,,,0.0,,,,0.0
O=C(CN1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1)Nc1ccc2c(c1)OCO2,CID647105,0.0,,,,,,,0.0,,,,,,,,,
Cc1cc(OCc2nc(-c3cccs3)no2)cc(C)c1Cl,CID719007,,,,,,0.0,,,,0.0,,,,0.0,0.0,,
c1ccc(OCc2nc(-c3cccs3)no2)cc1,CID718731,,,,,,,,,,,0.0,,,,,,
CCOC(=O)c1ccc(OCc2nc(-c3cccs3)no2)cc1,CID2229716,0.0,,,,,,,,0.0,0.0,0.0,,,,,,
Cc1ccc(C)c(NC(=S)N(CCc2nc3cc(C)c(C)cc3[nH]2)Cc2cccnc2)c1,CID1454780,,,,,,,,,,,,0.0,,,,,
Cc1cc2nc(CCN(Cc3cccnc3)C(=S)Nc3ccc(F)cc3)[nH]c2cc1C,CID1454820,,,,,,,,,,,,0.0,,,,,
COc1ccccc1NC(=S)N(CCc1nc2cc(C)c(C)cc2[nH]1)Cc1cccnc1,CID1454804,,,,,,0.0,,,,,,0.0,,0.0,,,
CCOC(=O)c1nnn(-c2nonc2N)c1CN(CC)c1ccccc1,CID1267830,,,,,,,,,,,0.0,,,,,,
CCOC(=O)c1nnn(-c2nonc2N)c1CNc1ccc(C)c(Br)c1,CID1044872,0.0,,,,,,,,,,,,,,,0.0,0.0
CCOC(=O)c1nnn(-c2nonc2N)c1CNc1ccccc1,CID709018,,0.0,0.0,,,,,,,,,,,,,,
COc1ccccc1C1C(C(C)=O)=C(O)C(=O)N1CCc1ccccc1,CID2889665,,0.0,,,,,,,,,,,,,,,
COc1cc(C2C(C(C)=O)=C(O)C(=O)N2CCc2ccc(OC)c(OC)c2)ccc1O,CID648095,,,,,0.0,,,0.0,,0.0,,,,,,,
COc1ccc(C2C(C(C)=O)=C(O)C(=O)N2CCc2ccccc2)c(OC)c1,CID652862,,,,,,,0.0,,,,,,,,,,
CN(C)c1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)CC2)cc1,CID5307288,,,,,,,,0.0,,,0.0,,,,,,
O=C1CCc2cc(S(=O)(=O)N3CCC(C(=O)NCc4ccccc4Cl)CC3)ccc2N1,CID5307108,0.0,0.0,,,,,,,,,,,,,,,
COc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)CC2)c1,CID5308251,,0.0,,,,0.0,,,,0.0,,,,,,,
Cc1cc(Cl)cc(Cl)c1CNc1c([N+](=O)[O-])c(=O)oc2ccccc12,CID2916448,,,,,,,,,,,,,,0.0,,,
Nc1c(NCc2ccccc2)c2ccccc2oc1=O,CID42999,0.0,,,0.0,,,,0.0,,,,0.0,,,,,
O=c1cc(NCc2ccccc2)c2ccccc2o1,CID825502,,,,0.0,,,,,0.0,,,,,,,0.0,
COc1ccc(CC(=O)N2CCCc3ccccc32)cc1,CID669074,,,,,,0.0,,,,,,,,0.0,,,
COc1ccc(CC(=O)N2CCCc3ccccc32)cc1OC,CID720366,,,,,,,0.0,,,0.0,,,,,,,
COc1ccccc1CC(=O)N1CCCc2ccccc21,CID690546,,,,,,,,,0.0,0.0,0.0,0.0,,,,,
O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)c1ccccc1,CID557235,0.0,,,,,,,0.0,,,,,,0.0,,,
O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)c1ccc(F)cc1,CID1155485,,,,,,0.0,,,,,,,,,,0.0,0.0
CC(Sc1nc2ccccc2c(=O)n1Cc1ccco1)C(=O)c1ccccc1,CID2999945,0.0,,0.0,,0.0,0.0,,,,,,,,,,,
O=C1CC(N(O)c2ccccc2)C(=O)N1Cc1ccccc1,CID2837843,,0.0,,,,,,,,,,,,,,,
O=C1CC(Nc2ccccc2)C(=O)N1Cc1ccccc1,CID2866502,,,,,,,,,,,,,,,0.0,,
Cc1ccc(NC2CC(=O)N(Cc3ccccc3)C2=O)cc1,CID2975004,,,,,,,,,,,0.0,0.0,,,,,
O=c1sc(Nc2ccccc2)nc2ccccc12,CID741793,,,,,,,,,,,,,,,0.0,,
COc1ccc(Nc2nc3ccccc3c(=O)s2)c(OC)c1,CID661568,0.0,0.0,0.0,0.0,0.0,0.0,,0.0,,,0.0,0.0,,,,,0.0
CCc1ccc(Nc2nc3ccccc3c(=O)s2)cc1,CID2905565,,,,,,,,,,,,,,,0.0,,
Cc1cnc(NC(=O)CSc2nnc(Cc3ccccc3)o2)s1,CID891615,,,,,0.0,,0.0,,0.0,0.0,0.0,,0.0,,,,
COc1ccc(Cc2nnc(SCC(=O)Nc3nc(C)cs3)o2)cc1,CID1074986,0.0,0.0,,0.0,0.0,,,,0.0,0.0,,,,0.0,,0.0,
COc1ccc(Cc2nnc(SCC(=O)Nc3ncc(C)s3)o2)cc1,CID1281026,,0.0,,,0.0,,0.0,,0.0,0.0,,,0.0,0.0,,0.0,0.0
CCn1ccc(C(=O)Nc2ccc(Cl)cn2)n1,CID891614,0.0,,,,,,,,,,,,0.0,,,,
Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Br)cn2)n1,CID844632,,,,,,,,,,,,0.0,,,,,
CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Br)cn2)n1,CID844555,,,,,,,,,,,,0.0,,,,,
Cc1ccc(OCC(=O)Nc2ccc3c(c2)OCO3)c([N+](=O)[O-])n1,CID4556216,,,,,,,,,,,,,,0.0,,,
O=C(COc1cccnc1[N+](=O)[O-])Nc1ccc2c(c1)OC(F)(F)O2,CID3385464,,,,,,,,,,,,,,0.0,,,
Cc1ccc(OCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)c([N+](=O)[O-])n1,CID4016301,,,,,,,,,,,,,,0.0,,,
Fc1ccc(SCCc2ccncc2)cc1,CID761522,,,,,,,,,,,,,,0.0,,,
c1ccc(SCCc2ccncc2)cc1,CID88779,,,,,,0.0,,,,,0.0,,,,0.0,,
Fc1cc(F)c(F)c(SCCc2ccncc2)c1F,CID658876,,,,,,,,,,,,0.0,,,,,
CN(CC(=O)NCCc1ccc(Cl)cc1)S(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C,CID9551297,,,,,,,,,,0.0,,,,,,,
Cc1ccc(CCNC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)cc1,CID9551295,,,,,,0.0,,,,,,,,,,,
Cc1cccc(CCNC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)c1,CID5308131,,,0.0,,,,,,,,,,,,,0.0,
COc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)Nc2ccccc2)c1,CID3587833,,,0.0,,0.0,,,,,,,,,,,,
COc1ccccc1NC(=O)CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccccc1,CID3243815,,,,,0.0,,,,,,,,,,,,0.0
COc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)Nc2ccccc2)cc1,CID4096593,,,,,0.0,,,,,,,,,,,0.0,
CC1(C)CC(=O)C(=CNCCN2CCN(C(=S)Nc3ccccc3)CC2)C(=O)C1,CID3127109,,,,,,0.0,,,,,,,,,,,
CC1(C)CC(=O)C(=CNCCN2CCN(C(=S)Nc3cccc(Cl)c3)CC2)C(=O)C1,CID2866850,,,,,,,,,,,,0.0,,,,,
CC1(C)CC(=O)C(=CNCCN2CCN(C(=S)Nc3ccc(F)cc3)CC2)C(=O)C1,CID2866287,,,,,,,,,,,,0.0,,,,,
COC(=O)C1CCN(c2cc(Cl)nc(N)n2)CC1,CID1481815,,,,,,,,,,,,,,,0.0,,
Nc1nc(Cl)c(C=O)c(N2CCCCC2)n1,CID1475161,,,,,,,,,,,,,,0.0,,,
Cc1cc(N2CCCCC2)nc(N)n1,CID748221,,,,,,,,,,,,,,0.0,,,
COC(=O)C1=C(C)NC(=O)C1(NS(=O)(=O)c1ccc(NC(C)=O)cc1)C(F)(F)F,CID2965061,,,,,,,,,,0.0,,,,,,,
COC(=O)C1=C(C)NC(=O)C1(NS(=O)(=O)c1ccc(C)cc1)C(F)(F)F,CID2967215,,,,,,,,,,0.0,,,,,,,
CCCN1C(=O)C(NS(=O)(=O)c2ccc(N)cc2)(C(F)(F)F)C(C(=O)OC)=C1C,CID2981762,,,,,0.0,,,,,0.0,,,,,,,0.0
O=C(Nc1ccccc1)OCCNC(=O)c1cccc(Cl)c1,CID3365189,,,,,,,,,,0.0,,,,,,,
O=C(Nc1ccc(Cl)c(Cl)c1)OCCNC(=O)c1cccc(Cl)c1,CID3452248,,,,,,,,,,,,0.0,,,,,
O=C(Nc1ccccc1)OCCNC(=O)c1ccccc1,CID657451,0.0,,,,,,0.0,,,,,,,,,,0.0
Cc1ccc(N2CN=c3s/c(=C\c4ccccn4)c(=O)n3C2)cc1,CID720055,0.0,0.0,,,,,,0.0,,,,,0.0,,,0.0,
O=c1/c(=C/c2ccccn2)sc2n1CN(c1ccccc1)CN=2,CID659573,0.0,0.0,,,,,,0.0,,,,,,,,,
COc1cc(N2CN=c3s/c(=C\c4ccccn4)c(=O)n3C2)cc(OC)c1OC,CID660780,,,,0.0,0.0,,,0.0,,0.0,,,,,,0.0,0.0
CCn1cc(C2=NC(C)(C)CO2)c2ccccc21,CID3424690,,,,,,0.0,,,,,,,,,,,
CCn1cc(C2=NC(C(C)C)CO2)c2ccccc21,CID3545526,0.0,,,,,,,,,,,,,,,0.0,
CCn1cc(C2=NCCO2)c2ccccc21,CID3427821,,,,,,0.0,,,,0.0,,,,0.0,,,
COc1ccccc1C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1,CID1151570,,,,,,,,,,0.0,0.0,,,,,0.0,
COc1cccc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1OC,CID660683,,,,,0.0,,,,,0.0,0.0,,,,,,
COc1cccc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1,CID648311,,,0.0,,,,,,,0.0,,,0.0,,,0.0,
C(=N/n1cnnc1)\c1ccc2c(c1)OCO2,CID249988,,,0.0,0.0,,0.0,,0.0,,,,,,,0.0,,
CCCc1nnc(SCC(=O)O)n1/N=C/c1ccc2c(c1)OCO2,CID916311,,0.0,,,,,,,,,,,,,0.0,,
CSc1nncn1/N=C/c1ccc2c(c1)OCO2,CID2314311,,,,,,,,,,,0.0,,,,,,
Cn1c(=O)c2c(nc(CN3CCN(c4ccccc4F)CC3)n2CCN2CCOCC2)n(C)c1=O,CID667396,,,,,,,,,,,,,,,,0.0,
Cn1c(=O)c2c(nc(CN3CCN(c4ccc(F)cc4)CC3)n2CCN2CCOCC2)n(C)c1=O,CID667172,,,,,,,,,,,0.0,,,,,,
Cn1c(=O)c2c(nc(CN3CCN(c4ccccc4)CC3)n2CCN2CCOCC2)n(C)c1=O,CID667269,,,,,,,0.0,,,0.0,,,,,,,
O=C(CSc1nnc(COc2ccccc2)o1)NCCc1ccccc1,CID663604,0.0,,,,0.0,,0.0,0.0,,,,,,,,0.0,0.0
Cc1cccc(OCc2nnc(SCC(=O)NCCc3ccccc3)o2)c1,CID1324479,0.0,,,,0.0,0.0,0.0,,,0.0,0.0,,,,,0.0,
Cc1cccc(C)c1OCc1nnc(SCC(=O)NCCc2ccccc2)o1,CID1306535,,,0.0,,0.0,,,0.0,,,,,,,,0.0,0.0
O=C(Nc1ccc(F)cc1)N(CCCN1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3,CID648044,,0.0,,,,,,,,,,,,,,,
Cc1ccc(NC(=O)N(CCCN2CCOCC2)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1,CID648406,0.0,,,0.0,,,,,,,,,,,,0.0,
COc1ccccc1NC(=O)N(CCCN1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3,CID650197,,,,,,,,,,0.0,,,,,,,
CCN(CC)C(=O)CSc1nc2cccnc2n1-c1ccccc1OC,CID648048,0.0,,,,,0.0,0.0,0.0,,,0.0,,,,,,
CCOC(=O)CSc1nc2cccnc2n1-c1ccc(F)cc1,CID652449,,0.0,0.0,0.0,,,,,,,,0.0,0.0,,,,0.0
CC(C)OC(=O)CSc1nc2cccnc2n1-c1ccc(F)cc1,CID3214227,,,,,,,,,0.0,0.0,0.0,,,,,,
COc1ccc(N(C(=O)COc2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1,CID1341717,,,,,,,,,,,,,,0.0,,,
COc1ccc(N(C(=O)COc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1,CID12005487,,,,,,,,,,,,,,0.0,,,
COc1ccc(N(C(=O)COc2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1,CID1544413,,,,,,,,,,,,,,0.0,,,
Cc1cccc(C)c1-n1c(SCC(=O)NCc2ccco2)nc2ccccc2c1=O,CID2085531,,,,,,0.0,,,,,,,,,,,
Cc1cccc(-n2c(SCC(=O)NCc3ccco3)nc3ccccc3c2=O)c1,CID2085816,0.0,0.0,,,0.0,,,0.0,,,,,0.0,,,0.0,
O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)NCc1ccco1,CID644437,0.0,,0.0,0.0,0.0,,,,,,0.0,0.0,,,,0.0,
COc1ccc(CNC(=O)C(C)N(Cc2ccco2)C(=O)c2snc(C(N)=O)c2N)cc1,CID651480,,,,0.0,,,,,,0.0,,,,0.0,,,
CCC(C(=O)NCc1ccc(F)cc1)N(Cc1ccco1)C(=O)c1snc(C(N)=O)c1N,CID656120,,,,,,,,,,0.0,,,,,,,
CCCC(C(=O)NCc1ccc(OC)cc1)N(Cc1ccco1)C(=O)c1snc(C(N)=O)c1N,CID650493,,,,,0.0,,,,,,,,,,,,
O=C(Nc1ccc(Cl)cc1)OCc1cncs1,CID1488979,,,,,,,,,,0.0,0.0,,,0.0,,,
O=C(Nc1cccc(Cl)c1)OCc1cncs1,CID1488978,,,,,,,,,,0.0,,,,0.0,,,
O=C(Nc1ccccc1Cl)OCc1cncs1,CID1488980,,,,,,,,,,,,,,0.0,,,
CC(C(=O)N1CCN(C=O)CC1)N1C(=O)c2ccccc2C1=O,CID654991,,,,,,,,0.0,,,,,,,,,
O=CN1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)CC1,CID661585,,,0.0,,,,,,,,,,,,0.0,,
CC(C(=O)N1CCN(C)CC1)N1C(=O)c2ccccc2C1=O,CID2843865,,0.0,,0.0,,,,,0.0,,,,0.0,,,,
COc1ccc(CCN(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)N2CCCC2)cc1OC,CID650755,0.0,,,,0.0,,0.0,,0.0,0.0,,,,,,,
CCOc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)C(=O)N3CCCC3)cc2c1,CID3216649,,,,,,0.0,,,,,,0.0,,,,,
COc1ccc(CCN(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)N2CCCC2)cc1OC,CID646367,0.0,,,,0.0,,,,,,,,0.0,,,,
Cc1ccccc1NC(=S)NNC(=O)c1ccoc1C,CID843896,,,,,,,,,,,,,,0.0,,,
Cc1occc1C(=O)NNC(=S)Nc1ccccc1C(F)(F)F,CID970996,,,,,,,,,,,,,,0.0,,,
COc1ccc(NC(=S)NNC(=O)c2ccoc2C)cc1OC,CID970383,,,,,,,,,,,,,,0.0,,,
Cc1nc(N2CCN(C(=O)c3ccco3)CC2)c2c3c(sc2n1)CCCC3,CID1434953,,,,,,,,,,0.0,,,,,,,
CC(C)c1nc(N2CCN(C(=O)c3ccco3)CC2)c2c3c(sc2n1)CCCC3,CID648060,0.0,,,,,,,,,,,,,,,0.0,0.0
CCc1nc(N2CCN(C(=O)c3ccco3)CC2)c2c3c(sc2n1)CCCC3,CID3192981,,,,,,0.0,,,,,,,,,,,
COc1ccc2oc(=O)c(C(=O)NCC3CCCO3)cc2c1,CID2999936,,,,,,,0.0,0.0,,,,,,,,,0.0
COc1cccc2cc(C(=O)NCC3CCCO3)c(=O)oc12,CID2948619,,,,,,,,,,0.0,,,,,,0.0,0.0
COc1cccc2cc(C(=O)NC(C)C3CCCO3)c(=O)oc12,CID2970251,,,0.0,,,,0.0,,,0.0,,,0.0,,,0.0,
Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc2nsnc12,CID974361,0.0,,,,0.0,,0.0,,,0.0,,,,,,0.0,
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cccc2nsnc12,CID654198,0.0,0.0,0.0,0.0,0.0,,,,,0.0,,,,,,,
Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc2nsnc12,CID648873,,,,,0.0,,,,,,,,0.0,,0.0,,
Cc1ccc(-c2noc(CN(C(=O)C34CC5CC(CC(C5)C3)C4)C(C)C)n2)cc1,CID3159109,,,0.0,,,0.0,,,,,,,,,,,
CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)C12CC3CC(CC(C3)C1)C2,CID2966489,,,,,0.0,,,,,,,,0.0,,,,
Cc1cccc(-c2noc(CN(C(=O)C34CC5CC(CC(C5)C3)C4)C(C)C)n2)c1,CID2967903,,0.0,0.0,0.0,,,0.0,,,,,0.0,,,,,
CC(C)OC(=O)c1nnn(-c2nonc2N)c1CSc1ccccn1,CID3236392,,0.0,,,0.0,,,,,,,0.0,0.0,,,,
CCOC(=O)c1nnn(-c2nonc2N)c1CSc1ccccn1,CID3132789,,0.0,,0.0,0.0,,,,,,0.0,,,,,,
COC(=O)c1nnn(-c2nonc2N)c1CSc1ccccn1,CID2060987,,0.0,,0.0,0.0,,,,,,,,0.0,,,,
CSc1nc(C)cc(SC(C(C)=O)C(=O)Nc2ccccc2)n1,CID2937901,,,,,,,,,0.0,0.0,,,,,0.0,,
Cc1cc(SCC(=O)Nc2ccccc2)nc(C)n1,CID665238,,0.0,,0.0,,,,,,0.0,0.0,,,0.0,0.0,0.0,0.0
CSc1nc(C)cc(SCC(=O)Nc2ccccc2)n1,CID2217946,,,,,,,,,0.0,,0.0,0.0,,,,,
O=C(Cn1c(=O)[nH]c2ccsc2c1=O)N1CCN(c2ccc(F)cc2)CC1,CID3237000,,0.0,,,0.0,,,0.0,,,,,,,,,
Cc1cccc(N2CCN(C(=O)Cn3c(=O)[nH]c4ccsc4c3=O)CC2C)c1,CID9551435,,,,,,,,,,,,0.0,,,,,
COc1ccc(N2CCN(C(=O)Cn3c(=O)[nH]c4ccsc4c3=O)CC2)cc1,CID3238727,,,,,,,,,,,,,,,,,0.0
CN(C)C(=O)C1OC(C)(C)OC1C(=O)N(C)C,CID575124,,,,,,,,,,0.0,,,,,,,
CC1(C)OC(C(N)=O)C(C(N)=O)O1,CID559616,,,,,0.0,,,,0.0,,,,,,0.0,,
CC(C)(C)C1(C)OC(C(N)=O)C(C(N)=O)O1,CID599277,,,,0.0,0.0,,,,,0.0,,,,,,,
COc1ccc(-c2cc(=O)n3[nH]c(-c4cccc(C)c4)cc3n2)cc1,CID784374,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-c2[nH]n3c(=O)cc(-c4ccc([N+](=O)[O-])cc4)nc3c2C)cc1,CID5347033,,,,,,0.0,,,,,,,,,,,
Cc1ccccc1-c1cc2nc(-c3ccc([N+](=O)[O-])cc3)cc(=O)n2[nH]1,CID780981,,,,,,,,,,,,,,,0.0,,
CCc1noc2c1/C(=N/O)CC(c1ccccc1)C2,CID2834801,,,,,0.0,,0.0,,,0.0,,0.0,,,,,
CCCc1noc2c1/C(=N/O)CC(c1ccccc1)C2,CID3116071,,,,,,,,,,0.0,,,,,,,
CCCCc1noc2c1/C(=N/O)CC(c1ccccc1)C2,CID647998,0.0,,,,0.0,,,,,,,0.0,0.0,0.0,,,0.0
O=C(Nc1nccs1)c1cnccn1,CID470918,,,,0.0,,,0.0,,,,,,,,,,
Cc1cnc(C(=O)Nc2nccs2)cn1,CID2379361,,,,,,,,,,0.0,,,,,,,
Cc1csc(NC(=O)c2cnccn2)n1,CID1547964,,0.0,,,,,,,,,,,0.0,,,0.0,
CCCC1C2C(=O)N(c3ccccc3OC)C(=O)C2ON1c1ccccc1,CID661717,,,0.0,,0.0,,,,,0.0,0.0,,,,,,
CCCC1C2C(=O)N(c3ccccc3)C(=O)C2ON1c1ccccc1,CID267147,,,,,,,,,,0.0,,0.0,,,,,
CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)C(CCC)C3C2=O)cc1,CID3823933,,,,,,0.0,,,,0.0,,,,,,,
Cc1ccc(C(=O)NC2CCN(C(=O)N3CCOCC3)CC2)cc1,CID655286,,,,,,0.0,,0.0,,0.0,,,,,,,
Cc1cccc(C(=O)NC2CCN(C(=O)N3CCOCC3)CC2)c1,CID3218481,,,,,,0.0,,,,,0.0,,,,,,
O=C(NC1CCN(C(=O)N2CCOCC2)CC1)c1ccccc1,CID645007,,,,,,,,0.0,,,,,,,,,
COc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(CC3CCCO3)c2)c1,CID5240918,,,,,,0.0,,,,0.0,,,,,,,
N#Cc1cc(C(=O)c2cc(Cl)ccc2O)cn(CC2CCCO2)c1=O,CID2999241,0.0,,0.0,,,,,,,,,,0.0,,0.0,,0.0
Cc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(CC3CCCO3)c2)c1,CID2998591,,,0.0,,,,0.0,,,,,,0.0,,,,0.0
Cc1cc(=O)oc2cc(OCC3CC(c4ccc(N(C)C)cc4)=NO3)ccc12,CID666684,0.0,,,,0.0,,,0.0,,,,0.0,,,,,
Cc1cc(=O)oc2cc(OCC3CC(c4ccccc4)=NO3)ccc12,CID2815899,,,,,,,,,0.0,,,,,0.0,0.0,,
Cc1cc(=O)oc2cc(OCC3CC(c4ccccc4Cl)=NO3)ccc12,CID4889628,,,,,,,,,,,,0.0,,,,,
CCCn1nnnc1NCc1ccc(N2CCCC2)cc1,CID834708,,,,,,,,,,,,0.0,,,,,
CCCCn1nnnc1NCc1ccc(N2CCCC2)cc1,CID1817985,,,,,,,0.0,,,0.0,,0.0,,,,,
CCn1nnnc1NCc1ccc(N2CCCC2)cc1,CID834537,,,,,,,,0.0,,,,,,,,,
COc1nnc(-c2ccc(N3CCOCC3)c(NC(C)=O)c2)c2ccccc12,CID662471,0.0,0.0,,0.0,,,,0.0,0.0,,,0.0,,,,,
CCCC(=O)Nc1cc(-c2nnc(OC)c3ccccc23)ccc1N1CCOCC1,CID2946611,,,0.0,,,,0.0,,0.0,,0.0,,,,,,
CCC(=O)Nc1cc(-c2nnc(OC)c3ccccc23)ccc1N1CCOCC1,CID662299,0.0,0.0,,0.0,,0.0,0.0,,0.0,,,0.0,0.0,,,,
CCOc1ccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCN2CCOCC2)cc1OC,CID662472,,,,,,,,0.0,,,,,,,,,
CCCOc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCN2CCOCC2)cc1OC,CID662162,,,0.0,,,,,,,,,,0.0,,,,
CCCOc1ccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCN2CCOCC2)cc1OC,CID662182,,,,,,,,0.0,,,,,,,,,
OC1CCCN(c2c3c(nc4cc(-c5cccc(Cl)c5)nn24)CCC3)C1,CID653598,,,,,,,0.0,,,,,,,,,,
OC1CCN(c2c3c(nc4cc(-c5ccc(F)cc5)nn24)CCC3)CC1,CID1441167,,,,,,,,,,,,0.0,,,,,
OC1CCN(c2c3c(nc4cc(-c5ccc(Cl)cc5)nn24)CCC3)CC1,CID1441189,,,,,,,,,,,,,,0.0,,,
COc1cccc(-c2ccc(=O)n(CC(=O)Nc3cc4c(cc3NC(C)=O)OCCO4)n2)c1,CID654429,,,,0.0,,,,,0.0,,,,,,0.0,,
COc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc4c(c3)OCCO4)n2)cc1,CID3224482,,,,,,,,,,,,,,,0.0,,
CC(=O)Nc1cc2c(cc1NC(=O)Cn1nc(-c3ccccc3F)ccc1=O)OCCO2,CID647649,,,,,,,,,,,,0.0,,,,,
CC(=O)Nc1ccc(N2C(C(C)=O)=NN(c3ccc(Cl)cc3)C2c2sccc2C)cc1,CID4248869,,,,,,,,,,,,,,,0.0,,
CC(=O)Nc1ccc(N2C(C(C)=O)=NN(c3ccccc3)C2c2cccs2)cc1,CID3654190,,,,,,0.0,,,,,,,,,,,
CC(=O)C1=NN(c2ccccc2)C(c2cccs2)N1c1ccccc1,CID2898097,,,,,,0.0,,,,,,,,,,,
COc1ccc(-n2nnnc2SCC(=O)c2ccc3c(c2)OCCO3)cc1,CID1073207,,,,,,,,,0.0,,,,,,,,
COc1ccc(-n2nnnc2SCC(=O)c2ccc3c(c2)OCCO3)c(OC)c1,CID654798,,,,,,,,0.0,,,,,0.0,,,,
COc1ccc(C)cc1-n1nnnc1SCC(=O)c1ccc2c(c1)OCCO2,CID2548881,,,,,,,,,,,,0.0,,,,,0.0
COc1ccc(CN(CC(=O)NCC2CCCO2)C(=O)CCC(=O)Nc2cc(C)on2)cc1,CID647791,,,,,,,,,0.0,,,,,,,,
Cc1cc(NC(=O)CCC(=O)N(CC(=O)NCC2CCCO2)Cc2ccc(F)cc2)no1,CID3210817,,,,,,,,,,0.0,,,,,,,
COc1cccc(CN(CC(=O)NCC2CCCO2)C(=O)CCC(=O)Nc2cc(C)on2)c1,CID656341,0.0,,,,,,,,,,,,,,,,
O=C(CSc1nc2ccccc2s1)NC(=O)NCc1ccco1,CID2084689,0.0,0.0,0.0,,0.0,,,,0.0,0.0,,,,,,,
CCOc1ccc2nc(SCC(=O)NC(=O)NCc3ccco3)sc2c1,CID2453397,,,,,,0.0,,,,,0.0,,,,,,
O=C(CSc1nc2cc(Cl)ccc2s1)NC(=O)NCc1ccco1,CID2542664,,,,,,,,,,,,,,0.0,,,
COC(=O)Nc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1,CID4030,,,,,,,0.0,,0.0,0.0,,,0.0,,,0.0,
Cc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1,CID2269665,0.0,0.0,,,0.0,,,,,,,,,,,0.0,
O=C(c1ccccc1)c1ccc2nc[nH]c2c1,CID648179,,,,,,,,0.0,,,,0.0,,0.0,0.0,0.0,
C/C(=N\NC(=O)c1cccc(C)c1)c1ccc(N2CCOCC2)cc1,CID842434,,,,,,,,,,,,0.0,,,,,
CCN(CC)c1ccc(C(=O)N/N=C/c2ccc(N3CCOCC3)cc2)cc1,CID2330048,,,,,,,,,,,,,,0.0,,,
C/C(=N\NC(=O)c1ccccc1C)c1ccc(N2CCOCC2)cc1,CID1229719,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1c(NC(=O)Cc2cccs2)sc(C)c1C,CID870893,,,,0.0,,,0.0,,,0.0,,,,0.0,,,
COC(=O)c1c(NC(=O)Cc2cccs2)sc(C)c1C,CID1245885,,,,,,,,,,0.0,,,0.0,0.0,,,
CCN(CC)C(=O)c1sc(NC(=O)Cc2cccs2)c(C#N)c1C,CID655690,0.0,,,0.0,0.0,,0.0,,0.0,0.0,0.0,,0.0,,0.0,,
CCC(c1nnnn1Cc1ccco1)N(Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCCC1,CID646746,,,0.0,,,,,,,0.0,,0.0,,,,,
COc1cc2cc(CN(Cc3nnnn3Cc3ccco3)C3CCCCC3)c(=O)[nH]c2cc1OC,CID652790,,,,,,,,,,0.0,,0.0,,,,,
COc1ccc2[nH]c(=O)c(CN(C3CCCCC3)C(c3nnnn3Cc3ccco3)C(C)C)cc2c1,CID650199,,,,,,,,,,,,0.0,,,,,
O=C(c1cc(-c2ccccc2)nc2ccccc12)N1CCOCC1,CID718047,,,,,,,,,,0.0,,,0.0,0.0,,,
Cc1ccc(-c2cc(C(=O)N3CCOCC3)c3ccccc3n2)cc1,CID847425,,,,0.0,,,0.0,0.0,0.0,0.0,,,,,,,
COc1ccc(-c2cc(C(=O)N3CCOCC3)c3cc(C)ccc3n2)cc1,CID1331320,,,,,0.0,,0.0,,,,,,0.0,,,,
Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccc4nonc34)CC2)nc1,CID3236809,,0.0,,0.0,,,,0.0,,,0.0,0.0,,,,0.0,
O=C(Nc1ccccn1)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1,CID3241494,,0.0,,,,,0.0,,,,,,,,,0.0,0.0
Cc1ccnc(NC(=O)C2CCN(S(=O)(=O)c3cccc4nonc34)CC2)c1,CID3238036,,,,0.0,,0.0,,,,,,,,,,,0.0
COc1ccc(CN2CCCCC2c2cccnc2)cc1C,CID2857335,,,0.0,,,,,0.0,,,,0.0,0.0,,,,
Clc1cccc(CN2CCCCC2c2cccnc2)c1,CID2857375,,0.0,0.0,0.0,,,,,,,,,,,,,0.0
COc1ccc(CN2CCCCC2c2cccnc2)c(OC)c1C,CID2854407,,,,,,,0.0,0.0,,,,0.0,,,,,
O=C(CSc1ncccn1)NCCc1ccccc1,CID846435,,,0.0,0.0,,,,0.0,,,0.0,,0.0,,,0.0,
Cc1nc(SCC(=O)NCCc2ccc(Cl)cc2)nc(C)c1C,CID4360584,,,,,,0.0,,,,,,,,,,,
Cc1nc(SCC(=O)NCCc2ccccc2)nc(C)c1C,CID2562985,,,,,,,,,,,0.0,0.0,,,0.0,,
CCOc1ccc(N2CC(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2=O)cc1,CID2998569,,,,0.0,0.0,,,,,,,,,,,,0.0
COc1ccc(N2CC(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2=O)cc1,CID2982580,,,,,,,,,,,,,,,0.0,,
Cc1ccc(N2CC(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2=O)cc1,CID2963173,,,,,,,,0.0,,,,,,,,,
Cc1ccc(-n2c(CNc3ccc(F)cc3)nnc2SCC(=O)NCc2ccco2)cc1,CID650362,0.0,,,,,,,,,,,,,,,,
COc1ccc(NCc2nnc(SCC(=O)NCc3ccco3)n2-c2ccccc2OC)cc1,CID1156605,,,,,,,,,,,0.0,,,,,,
CCOc1ccccc1-n1c(CNc2ccc(F)cc2)nnc1SCC(=O)NCc1ccco1,CID1154975,,,,,,,,,,,,,,,0.0,,
Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCc3ccccc32)cc1,CID2347404,,,,0.0,,0.0,0.0,0.0,0.0,,0.0,,,,,0.0,
CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCc3ccccc32)cc1,CID2434425,,,,,,,,,,,,0.0,,,,,
CC(NS(=O)(=O)c1ccccc1F)C(=O)OCC(=O)N1CCc2ccccc21,CID2562653,,,,,,,,,,0.0,,0.0,,0.0,,,
CCn1nnnc1SCC(=O)Nc1ccc2c(c1)OCO2,CID855248,,,,,,,,,0.0,0.0,0.0,0.0,,,,,
CC(C)n1nnnc1SCC(=O)Nc1ccc2c(c1)OCO2,CID1452350,,,,,,,,,0.0,,,0.0,,,,,
CCCCn1nnnc1SCC(=O)Nc1ccc2c(c1)OCO2,CID655678,,0.0,,,,,,,,,,,,,,0.0,
C=CCNC(=O)c1snnc1-c1ccccc1,CID2765918,,,,,,,,,,0.0,,,,,,,
CCOC(=O)CSc1snnc1-c1ccccc1,CID1473962,,,,,,,,,,0.0,0.0,,,,,,
Brc1ccccc1-c1csnn1,CID849379,,,,,,,,,,,,,,0.0,,,
CC1CCN(C(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)CC1,CID2949625,,,,,,,,,,0.0,,,,,,,
CS(=O)(=O)N(CC(=O)N1CCC(C(N)=O)CC1)c1ccc(Oc2ccccc2)cc1,CID2928967,,,0.0,0.0,0.0,0.0,,0.0,,,,,0.0,0.0,0.0,0.0,
CC(C(=O)N1CCC(C(N)=O)CC1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O,CID2928598,,,,,,,,,0.0,,0.0,,,,,,
CCC(=O)Nc1nc(CC(=O)Nc2ccccc2OC)cs1,CID864703,,,,,,,,,,0.0,,0.0,,,,,
CCC(=O)Nc1nc(CC(=O)Nc2ccccc2)cs1,CID656113,,,,,0.0,,0.0,,,0.0,,,0.0,,,0.0,
COc1ccccc1NC(=O)Cc1csc(N)n1,CID646325,,,,,0.0,,0.0,,,,,0.0,0.0,,,,
O=C(O)c1ccc(COc2ccc3c4c(c(=O)oc3c2)CCC4)o1,CID1765449,,,,0.0,,,,,,,,,0.0,,,,
COC(=O)c1ccc(COc2ccc3c4c(c(=O)oc3c2)CCC4)o1,CID2055778,,,,0.0,,,,0.0,,,,,,0.0,,,
Cc1c(OCc2ccc(C(=O)O)o2)ccc2c3c(c(=O)oc12)CCC3,CID808243,,,,0.0,,,,0.0,,,,,,,0.0,,
COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccco2)c(OC)c1,CID3236853,,,0.0,0.0,,,,,0.0,0.0,,,0.0,,,,
COc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)c1ccco1,CID3237551,,,0.0,,,,,,,,,,,,,,
COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccco2)cc1,CID3239653,0.0,0.0,,0.0,,,0.0,,0.0,0.0,,0.0,,,,,
O=C(CCCCn1c(=O)c2ccccc2n(Cc2ccc(Cl)cc2)c1=O)NCc1ccco1,CID3236472,0.0,,,,,,,,,,,,,,,0.0,0.0
O=C(CCCCn1c(=O)c2ccccc2n(Cc2ccc(F)cc2)c1=O)NCc1ccco1,CID3237718,,,,0.0,,,,,,,,,,,,,
O=C(CCCCn1c(=O)c2ccccc2n(Cc2ccc(F)cc2Cl)c1=O)NCc1ccco1,CID3239608,,,,,,0.0,,,,,0.0,,,,,,
O=C(c1ccc(F)cc1)N1CCC(N2CCCCCC2)CC1,CID660928,,,,0.0,,,,,,,,,,,0.0,,
O=C(c1ccccc1F)N1CCC(N2CCCCCC2)CC1,CID661031,,,0.0,0.0,,,,0.0,,,,,,,,,
COc1cc(OC)cc(C(=O)N2CCC(N3CCCCCC3)CC2)c1,CID660664,,,0.0,,,,,0.0,0.0,,,,,,,,0.0
CCN(CC)CCN1C(=O)C2C3c4ccccc4C(c4ccccc43)C2C1=O,CID2876004,,,,,,,,0.0,,,,,,,,,
O=C1NC(=O)C2C3c4ccccc4C(c4ccccc43)C12,CID601392,,,,,,,0.0,0.0,,0.0,,,,,,,
CC(=O)NCCN1C(=O)C2C3c4ccccc4C(c4ccccc43)C2C1=O,CID2960427,,,,,,0.0,,,,0.0,,,,,,,
CC(C)(C)n1nnnc1C(c1ccc(Cl)cc1)N1CCSCC1,CID3193513,,,,,,,,,,,0.0,0.0,,,,,
CCC(C)(C)n1nnnc1C(c1ccccc1OC)N1CCSCC1,CID656075,0.0,,0.0,0.0,0.0,,0.0,0.0,,,0.0,,0.0,,,0.0,0.0
CCC(C)(C)n1nnnc1C(c1ccc(C)cc1)N1CCSCC1,CID3193509,,,,,,,,,,,0.0,,,,,,
COc1ccccc1CNc1nc2nc3c(c(=O)n2[nH]1)CCC3,CID666933,,0.0,0.0,,,,0.0,0.0,,,,0.0,,,,,
COc1cccc(CNc2nc3nc4c(c(=O)n3[nH]2)CCC4)c1,CID2027658,,,,,,,,,,,,,,,0.0,,
CCOc1ccccc1CNc1nc2nc3c(c(=O)n2[nH]1)CCC3,CID2224143,,0.0,,,,,0.0,,,0.0,,,0.0,,,0.0,
N#CCC(=O)N1CCCCCC1,CID534348,,,,,,,0.0,,,,0.0,,,,,,
O=C(/C=N/O)CCCCCN1CCCCCC1,CID6400903,,,,,,,,0.0,,,,,,,,,
O=C(/C=N/O)CCCCCCN1CCCCCC1,CID6817366,,,,,,,,,,0.0,,,,,,,
Cc1ccccc1N1CCN(C(=O)C2CCCCC2)CC1,CID2243436,0.0,,,,,,,0.0,,,0.0,0.0,0.0,,,,
Cc1cccc(N2CCN(C(=O)C3CCCCC3)CC2)c1C,CID1358513,,,,,,,,0.0,,,,0.0,,,,,0.0
O=C(C1CCCCC1)N1CCN(c2ccccc2F)CC1,CID808002,,,,0.0,,,,0.0,0.0,,,,,0.0,,,
O=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,CID2059107,,,,,,,,0.0,,,,0.0,0.0,,,,0.0
O=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2ccccc2)CC1,CID1327626,0.0,,0.0,,0.0,,0.0,,,0.0,0.0,,,,,,
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCCCCC3)CC2)cc1,CID1326327,0.0,,,,,0.0,,,,0.0,,,0.0,,0.0,,0.0
Cc1ccccc1N1C(=O)CC(Sc2nnc(-c3ccccc3)o2)C1=O,CID661736,,,,,,0.0,,0.0,,,,,,,,,
COc1ccc(N2C(=O)CC(Sc3nnc(-c4ccccc4)o3)C2=O)cc1,CID2905372,,,,,,,,0.0,,,,,,,,,0.0
O=C1CC(Sc2nnc(-c3ccccc3)o2)C(=O)N1c1ccccc1,CID2903904,,,0.0,,,,0.0,,,,0.0,,,,,,
COc1ccc2c(c1OC)C(=O)OC2C1c2c(cc3c(c2OC)OCO3)CCN1C,CID4544,,,0.0,,,,,,,,,,,,,,
COc1ccc2c(c1OC)C(=O)OC2C1c2cc3c(cc2CCN1C)OCO3,CID656743,,,,,,,,0.0,,,,,,,,,
COc1ccc2c(c1OC)C(C1c3c(cc4c(c3OC)OCO4)CCN1C)OC2=O,CID4199311,,,,,,,,,,,0.0,,,,,,
Cc1ccc(-c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])c(=O)c3ccccc23)cc1C,CID1101915,,,,,,0.0,,,,,,,,,,,
CCc1ccc(-c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])c(=O)c3ccccc23)cc1,CID1415737,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])c(=O)c3ccccc23)cc1,CID2185710,,,,,,,,,,,,,,0.0,,,
COc1ccc(CC(=O)NCc2nnc(SCCOc3ccccc3)n2C)cc1,CID2240918,,0.0,,,0.0,,,,,0.0,,,0.0,,,,0.0
C=CCn1c(SCCOc2ccc(OC)cc2)nnc1C(C)NC(=O)Cc1ccc(OC)cc1,CID2964982,,,,,,0.0,,,,,,,,,,,
CCn1c(CNC(=O)Cc2ccc(OC)cc2)nnc1SCCOc1ccccc1,CID2221700,,,,,,0.0,,,,,,,,,,,
Cc1cccc(Nc2nnc(C)c(=O)n2N)c1,CID753529,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1Nc1nnc(C)c(=O)n1N,CID2198241,,,,,,,,,,,,,,,0.0,,
Cc1nnc(Nc2ccccc2)n(N)c1=O,CID737018,,,,,,,,,,,,,,,0.0,,
COC(=O)c1cc(Br)c(=O)n(CCc2ccccc2)c1,CID661209,0.0,,,,,,,,,,0.0,0.0,,,,,0.0
Cc1cc(=O)n(CCc2ccccc2)c(O)c1C#N,CID111488,,,,,,,,0.0,,,,,,0.0,,,
COC(=O)c1cc(Br)c(=O)n(CCc2ccc(F)cc2)c1,CID660131,0.0,,,,,,,,0.0,,,0.0,,,,,
Cc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)s1,CID1263104,,,,,0.0,,0.0,,,,0.0,,0.0,,,,
Cc1cc(S(=O)(=O)N2CCN(c3ccccc3O)CC2)c(C)s1,CID1520542,,,,,,0.0,,,,0.0,,,,0.0,,,
COc1ccccc1N1CCN(S(=O)(=O)c2cc(C)sc2C)CC1,CID1520541,,,,,,,,,0.0,0.0,0.0,,,0.0,,,
O=c1c2ccccc2c(-c2ccc(Br)cc2)nn1Cc1ccccc1,CID1022213,,,,,,,,,,,,,,,0.0,,
O=c1c2ccccc2c(-c2ccccc2)nn1Cc1ccc(Cl)cc1,CID1229632,,,,,,,,,,,,,,0.0,,,
O=c1c2ccccc2c(-c2ccccc2)nn1Cc1ccccc1,CID290619,,,,,,,,,,,,,,,0.0,,
CC(C)OC(=O)CSc1nnc(CNc2nc(-c3ccccc3)cs2)n1C,CID653477,0.0,,,0.0,0.0,,0.0,,,0.0,,0.0,0.0,,,0.0,0.0
CCOC(=O)CSc1nnc(CNc2nc(-c3ccccc3)cs2)n1C,CID646841,0.0,0.0,,0.0,0.0,0.0,,,,0.0,,,,,,0.0,
COC(=O)CSc1nnc(CNc2nc(-c3ccccc3)cs2)n1C,CID1440492,,,,,,,,,0.0,0.0,0.0,,,,,,
CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc5c(c4)OCCO5)cc3n2)cc1,CID1115184,,,,,,,,,0.0,,0.0,0.0,,,,,
O=C(Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1)c1ccc2c(c1)OCCO2,CID1244928,,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc2c(c1)OCCO2,CID1364199,0.0,,0.0,,,,,,0.0,0.0,0.0,0.0,,,,,0.0
CC(C)CNc1nc(Oc2ccc(=O)n(-c3ccccc3)n2)nc(N2CCOCC2)n1,CID1520089,,,,,,,0.0,,,0.0,0.0,,,,,,
CN(C)c1nc(Oc2ccc(=O)n(-c3ccccc3)n2)nc(N2CCOCC2)n1,CID663613,,0.0,,,,,,,,,,,,,,,
CCNc1nc(Oc2ccc(=O)n(-c3ccccc3)n2)nc(N2CCOCC2)n1,CID1502353,,0.0,0.0,,,,,,,,,,,,,,
Cn1c(=O)n(CCOc2ccc([N+](=O)[O-])cc2)c2ccccc21,CID764469,,,,,,0.0,,,,,,,,,,,
Cc1cccc(OCCn2c(=O)n(C)c3ccccc32)c1,CID761918,0.0,,,0.0,0.0,0.0,,0.0,,0.0,,,0.0,,,,
Cn1c(=O)n(CCOc2ccccc2Cl)c2ccccc21,CID655131,0.0,0.0,,0.0,,,,,,,,,,,,0.0,
O=C(OCn1nnc2ccccc2c1=O)c1cccnc1,CID694194,,,0.0,,,0.0,0.0,,,,,,,,,,
O=C(OCn1nnc2ccccc2c1=O)c1cccnc1Cl,CID2371679,,,,,,,,,,,,,,,0.0,,
CSc1ncccc1C(=O)OCn1nnc2ccccc2c1=O,CID2124522,,0.0,0.0,0.0,,,,0.0,,,,,,,,,
CCOC(=O)c1nnn(-c2nonc2-n2cccc2)c1CN1CCCCC1,CID1521357,,0.0,,,,,,,,0.0,,,,0.0,,,
CCOC(=O)c1nnn(-c2nonc2-n2cccc2)c1CN1CCC(C)CC1,CID1521358,,,,0.0,,,,,,,,,,,,,
CCOC(=O)c1nnn(-c2nonc2-n2cccc2)c1CN1CCC(C(=O)OCC)CC1,CID1257859,,,,,,,,,,0.0,0.0,0.0,,,,,
O=C(Nc1ccc(Cl)cc1)N(CCCN1CCOCC1)Cc1cccs1,CID4257356,,,,,,,,,,,,,,0.0,,,
CCc1ccc(NC(=O)N(CCCN2CCOCC2)Cc2cccs2)cc1,CID4247296,,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccccc1)N(CCCN1CCOCC1)Cc1cccs1,CID4247300,,,,,0.0,,0.0,0.0,,0.0,,0.0,,,,,
Cc1ccc(-c2noc(CN(C(=O)Cc3ccccc3)C(C)C)n2)cc1,CID1252124,,,,,,,,,0.0,,0.0,,,,,,
O=C(Cc1ccc(Cl)cc1)NCc1nc(-c2ccccc2)no1,CID1250511,,,,,,,,,,,,,,0.0,,,
CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)Cc1ccccc1,CID2990518,0.0,,,0.0,,,0.0,,0.0,,,,,,,,
c1ccc2sc(Sc3ncnc4sccc34)nc2c1,CID2486717,,,,,,,,,,,,,,0.0,,,
Cc1sc2ncnc(Sc3nc4ccccc4s3)c2c1C,CID848636,,,,,,,,,,,,,,,0.0,,
CCc1cc2c(Sc3nc4ccccc4s3)ncnc2s1,CID848635,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccncc2)C2CCCCC2)cc1,CID656247,,,,,0.0,,,,,,,,,,,0.0,0.0
O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)NCc1ccncc1,CID1330319,,,,,,,0.0,,,,,0.0,,0.0,,,0.0
O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccncc1,CID986815,0.0,0.0,0.0,,0.0,,,,0.0,,,,0.0,,,0.0,0.0
Brc1ccc(CNCc2cccs2)cc1,CID834255,,,,,,,,,,,,,,0.0,,,
Brc1cccc(CNCc2cccs2)c1,CID834209,,,,,,,,,,,,,,0.0,,,
COC(CNC(=O)CNC(=S)N(Cc1ccccc1)Cc1cccs1)OC,CID16195579,,,,,,,,,,,,,,0.0,,,
COc1ccc(CCCc2nnc(SCC(=O)Nc3nc(C)cs3)n2C)cc1C,CID647319,0.0,0.0,0.0,,0.0,,,,,,,0.0,,,,0.0,0.0
COc1ccc(CCCc2nnc(SCC(=O)Nc3nc(C)cs3)n2C)cc1,CID2212896,,0.0,0.0,0.0,0.0,,,,0.0,0.0,,0.0,,,,,0.0
COc1ccc(CCCc2nnc(SCC(=O)Nc3nccs3)n2C)cc1C,CID1092731,0.0,0.0,0.0,0.0,0.0,,0.0,,0.0,0.0,,,,,,0.0,0.0
O=C(NCCc1ccc(Cl)cc1)C1CCN(C(=O)c2sccc2-n2cccc2)CC1,CID3242022,0.0,,,,0.0,,,,,,,,,,,,0.0
O=C(NCCc1ccccc1)C1CCN(C(=O)c2sccc2-n2cccc2)CC1,CID5309960,,,,0.0,,,,,,,,,0.0,,,,
Cc1ccc(CCNC(=O)C2CCN(C(=O)c3sccc3-n3cccc3)CC2)cc1,CID3241427,0.0,,0.0,,,,0.0,,,,,,,,,,0.0
COc1cc(C2C3C(=O)N(Cc4ccccc4)C(=O)C3ON2c2ccccc2)cc(OC)c1OC,CID665228,,,,,,,,0.0,,,,,,,,,
COc1cc(C2C3C(=O)N(Cc4ccccc4)C(=O)C3ON2c2ccccc2)cc(OC)c1O,CID665574,,,0.0,,,,,,,,0.0,,,,,,
COc1ccc(C2C3C(=O)N(Cc4ccccc4)C(=O)C3ON2c2ccccc2)c(OC)c1OC,CID665320,,,0.0,,,,,,,,,,,,,,
CC(=O)c1sc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)nc1C,CID2331433,,,,,,,,,,0.0,0.0,0.0,,,,,
CCOC(=O)c1sc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)nc1C,CID2348667,,0.0,0.0,,0.0,,,,0.0,,,,0.0,,,0.0,0.0
Cc1cnc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)s1,CID2102506,,,,,,,,,0.0,0.0,0.0,,,,0.0,,
Clc1ccc(-c2csc(-c3ccncc3)n2)cc1,CID2806768,,,,,,,,,,,,,,,0.0,,
Brc1ccc(-c2csc(-c3ccncc3)n2)cc1,CID738484,,,,,,,,,,,,,,0.0,,,
c1ccc(-c2csc(-c3ccncc3)n2)cc1,CID738483,,,,,,,,,,,,,,,0.0,,
CCCc1cc(=O)oc2c(C)c(O)c(CN3CCCCC3)cc12,CID5389560,0.0,,,,,,,,,0.0,,,,,,,
CCc1cc(=O)oc2c(C)c(O)c(CN3CCCCC3)cc12,CID5390082,,,,,,0.0,,0.0,,,,,,,,0.0,
CCc1cc(=O)oc2cc(C)c(CN3CCCC(C)C3)c(O)c12,CID5389678,,,,,,,0.0,0.0,0.0,,,,,,,,
O=C(CCc1ccccc1)NCc1ccccc1,CID730453,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1CNC(=O)CCc1ccccc1,CID975482,,,,,,,,,,,,,,0.0,,,
CC(C)c1ccc(CNC(=O)CCc2ccccc2)cc1,CID563207,,,,,,,,,,,,,,,0.0,,
COc1cccc(C(=O)N2CCn3c2nc2ccccc23)c1,CID775919,,,,,,,,,,,,,,,0.0,,
O=C(c1cccc(Cl)c1)N1CCn2c1nc1ccccc12,CID1086696,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(C(=O)N2CCn3c2nc2ccccc23)cc1,CID1086697,,,,,,,,,,,,,,,0.0,,
CC(c1ccco1)N(C(=O)COc1ccccc1[N+](=O)[O-])c1ccccn1,CID5202460,,,,,,,,,,,0.0,0.0,,,,,
CC(c1ccco1)N(C(=O)COc1ccc(Cl)cc1Cl)c1ccccn1,CID2997578,,,,,,,,,,0.0,,,,,,,
CC(c1ccco1)N(C(=O)COc1ccc(Cl)cc1)c1ccccn1,CID2998519,,0.0,0.0,0.0,0.0,,,,,,,,0.0,,,0.0,0.0
Cc1ccc(SCc2nc(-c3cccnc3)no2)cc1,CID974713,,0.0,,0.0,0.0,,0.0,,,,,,0.0,0.0,,,
Cc1ccc(SC(C)c2nc(-c3cccnc3)no2)cc1,CID2977455,0.0,0.0,,,0.0,,0.0,0.0,,,,,,,,0.0,
c1ccc(SCc2nc(-c3cccnc3)no2)cc1,CID895337,,,,0.0,0.0,,0.0,0.0,,0.0,,,0.0,0.0,,0.0,
Nc1nc(-c2nc3ccccc3[nH]2)cs1,CID776692,,,,0.0,,,,0.0,,0.0,,,0.0,,,,
c1ccc2[nH]c(-c3cscn3)nc2c1,CID5430,,0.0,0.0,0.0,,,,,,0.0,,,,,,,0.0
O=C(O)Cn1c(-c2cscn2)nc2ccccc21,CID3000086,,,,,,,,,,0.0,,,,,,,
Cn1cnnc1SCCC(=O)Nc1ccccc1,CID738845,,0.0,,0.0,,,,0.0,,0.0,,,0.0,,,0.0,
Cn1cnnc1SCCC(=O)Nc1ccc(Cl)cc1,CID851334,,,,,,,,,,,0.0,,,,0.0,,
Cc1cccc(NC(=O)CCSc2nncn2C)c1,CID851338,,,,,,,,,,0.0,,0.0,,,,,
COc1ccc(C(=O)COC(=O)CN2C(=O)C3C4C=CC(C4)C3C2=O)cc1,CID660888,,,,,,,0.0,0.0,,,,,,,,,0.0
COc1cccc(C(=O)COC(=O)C(C)N2C(=O)C3C4C=CC(C4)C3C2=O)c1,CID2913999,,,,,,,,,,,,0.0,,,,,
COc1ccc(C(=O)COC(=O)C(C(C)C)N2C(=O)C3C4C=CC(C4)C3C2=O)cc1,CID2925961,,,,,,,,,,,,,,0.0,,,
COC(=O)CSc1nc(N2CCCCC2)c2c(c1C#N)CCCC2,CID2894546,,0.0,0.0,,,,0.0,,,,,,,,0.0,0.0,
CC(Sc1nc(N2CCCCC2)c2c(c1C#N)CCCC2)C(=O)O,CID659655,,,0.0,,,,0.0,,,,,,,,,,
N#Cc1c(SCC(=O)O)nc(N2CCCCC2)c2c1CCCC2,CID659594,,0.0,,,,,,0.0,,,,,,,,,0.0
Cc1ccc(-c2noc(CCCN3C(=O)c4ccccc4C3=O)n2)cc1,CID926643,,,,,,,,,,,0.0,,,,,,
O=C1c2ccccc2C(=O)N1CCCc1nc(-c2ccc(Cl)cc2)no1,CID4994083,0.0,0.0,0.0,,,,,,,,,,,0.0,,0.0,
O=C1c2ccccc2C(=O)N1CCCc1nc(-c2ccccc2)no1,CID1975033,,,,,,,,,0.0,,0.0,,,0.0,,,
CCOc1ccc(NC(=O)CSC2=C(C#N)C(c3ccc4c(c3)OCO4)CC(=O)N2)cc1,CID660056,,,0.0,,0.0,,,0.0,,,,,,,0.0,,
CCc1ccc(NC(=O)CSC2=C(C#N)C(c3ccc4c(c3)OCO4)CC(=O)N2)cc1,CID659888,,,,0.0,0.0,,0.0,,,,,,,,,,0.0
Cc1ccc(NC(=O)CSC2=C(C#N)C(c3ccc4c(c3)OCO4)CC(=O)N2)cc1C,CID660069,,,,0.0,0.0,,,,,,,,0.0,,,,0.0
CC1SC(N/N=C/c2ccco2)=NC1=O,CID3344616,,,,,,0.0,,,,,,,,,,,
CCCC1SC(N/N=C/c2ccco2)=NC1=O,CID5098595,,,,,,,,,,,,,,0.0,,,
CC(C)C1SC(N/N=C/c2ccco2)=NC1=O,CID2883420,,,,,,0.0,,,,,,0.0,,,,,
CCc1ccc2[nH]c(=O)c(C3C(C#N)=C(N)Oc4c3ccc3cccnc43)cc2c1,CID3168141,,,,,,,,,,,0.0,,,,,,
Cc1ccc2cc(C3C(C#N)=C(N)Oc4c3ccc3cccnc43)c(=O)[nH]c2c1,CID3168139,,,,,,0.0,,,0.0,,,,,,0.0,,
Cc1ccc2[nH]c(=O)c(C3C(C#N)=C(N)Oc4c3ccc3cccnc43)cc2c1,CID3168140,,,,,,,,,,,,,,,0.0,,
COc1ccc(OC)c2sc(NC(=O)C3COc4ccccc4O3)nc12,CID5310130,,,,,,,,0.0,,,,,,,,,
CS(=O)(=O)c1ccc2nc(NC(=O)C3COc4ccccc4O3)sc2c1,CID2997640,,,0.0,,0.0,0.0,1.0,,0.0,0.0,,,,,0.0,,
COc1ccc2nc(NC(=O)C3COc4ccccc4O3)sc2c1,CID4383648,0.0,,,,,,,,,,,,,,,,
CN1C(=O)c2cccc3c(S(=O)(=O)NCc4ccco4)ccc1c23,CID2234049,,,0.0,0.0,,,,,,,0.0,,,,0.0,0.0,
O=C1Nc2ccc(S(=O)(=O)NCc3ccco3)c3cccc1c23,CID652554,,0.0,,,0.0,,0.0,0.0,,,,,0.0,,,0.0,
CCN1C(=O)c2cccc3c(S(=O)(=O)NCc4ccco4)ccc1c23,CID1192842,,,,,,,0.0,,,,,,,,,,
O=C(CN1C(=O)COc2ccccc21)N(Cc1ccc2c(c1)OCO2)CC1CCCO1,CID649230,,,,,,,,,0.0,0.0,,,0.0,,0.0,,
CCC1Oc2ccc(C)cc2N(CC(=O)N(Cc2ccc3c(c2)OCO3)CC2CCCO2)C1=O,CID654996,,,,,0.0,,,,,,,,,,,,
Cc1ccc2c(c1)N(CC(=O)N(Cc1ccc3c(c1)OCO3)CC1CCCO1)C(=O)C(C)O2,CID651626,,,,0.0,0.0,,0.0,0.0,,,,,0.0,0.0,,,
CCCN1CCN(C(c2cc3cc4c(cc3[nH]c2=O)OCO4)c2nnnn2C(C)(C)C)CC1,CID649233,,,,,,,0.0,,,0.0,0.0,,0.0,,,,
CCC(C)(C)n1nnnc1C(c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(C)CC1,CID649040,,,,,,,,,0.0,,0.0,,,,,,
CCN1CCN(C(c2cc3cc4c(cc3[nH]c2=O)OCO4)c2nnnn2C(C)(C)CC)CC1,CID650605,,,0.0,,,,,,,,,,,,,,
Cc1cccc2nc(CNc3ccc(F)cc3)cn12,CID1263260,,,0.0,,,,0.0,,,,,,0.0,,,,
Fc1cccc(NCc2cn3ccccc3n2)c1,CID653069,,,,0.0,,,,,,,,0.0,0.0,,,,
Cc1cccn2cc(CNc3ccccc3)nc12,CID2969440,,0.0,0.0,0.0,,,0.0,0.0,,,,0.0,,,,,
O=C(NCC1CCCO1)C(C(=O)c1ccccc1)n1cc(Cl)ccc1=O,CID651988,,,,0.0,,,,,,,,,,,,0.0,0.0
O=C(NCC1CCCO1)C(C(=O)c1ccc(F)cc1)n1ccccc1=O,CID650258,,,,,,,,,0.0,0.0,,,,,,,
O=C(NCC1CCCO1)C(C(=O)c1ccccc1)n1ccccc1=O,CID651329,,,,,,,0.0,,,,,,,,,,0.0
O=C(Nc1ncc2c(n1)CC(c1ccccc1)CC2=O)c1ccco1,CID663565,,,0.0,0.0,,,0.0,,,,,,,,,,
Cc1ccc(C2CC(=O)c3cnc(NC(=O)c4ccco4)nc3C2)cc1,CID664245,,,,,0.0,,,,0.0,,,,,,0.0,,
O=C(Nc1ncc2c(n1)CC(c1ccc(F)cc1)CC2=O)c1ccco1,CID664377,,,0.0,,,0.0,,,,,,,0.0,,,,
COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NCC3CCCO3)CC2)c1,CID2963986,,,,,,,,,,0.0,,,0.0,,,,
COc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3CCCO3)CC2)cc1OC,CID2920892,,,,,,,,,,,,,,,0.0,,
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3CCCO3)CC2)cc1,CID2921149,,,,,,,,,,0.0,,,,,,,
Cc1cccc(NC(=S)NN2CCOCC2)c1C,CID2917531,,,,,,,,,,,0.0,,,,,,
Cc1ccc(NC(=S)NN2CCOCC2)c(C)c1,CID1516178,,,,,,0.0,,,,,,,,0.0,,,
COC(=O)Cc1ccc(NC(=S)NN2CCOCC2)cc1,CID942706,,,,,,,,,,,,,,0.0,,,
CCC(=O)OCCNc1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+](=O)[O-],CID9550553,,,,,,,,,,,0.0,,,0.0,,,
CN(CCO)c1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+](=O)[O-],CID9550611,,,,,,,,,,,0.0,,,,,,
O=[N+]([O-])c1c(NCCCO)cc(Sc2nc3ccccc3s2)c2nonc12,CID11957180,,,,,,,,,,,,,,,0.0,,
O=C(CSc1ncnc2c1oc1ccccc12)NCC1CCCO1,CID664039,,0.0,,0.0,,,0.0,,0.0,,,,,,,0.0,
CCc1nc(SCC(=O)NCC2CCCO2)c2oc3ccccc3c2n1,CID665610,,,,,,0.0,,,0.0,,0.0,,,,,0.0,
Cc1nc(SCC(=O)NCC2CCCO2)c2oc3ccccc3c2n1,CID664152,,,,0.0,,,0.0,0.0,0.0,,0.0,,0.0,0.0,,0.0,
COc1ccc(CCNC(=O)c2nonc2N)cc1,CID822752,,,,,,,,,0.0,,,,,,,,
COc1ccc(CCNC(=O)c2nonc2N)cc1OC,CID686269,,,,,,,0.0,,0.0,,,,0.0,,0.0,,
Nc1nonc1C(=O)NCCc1ccccc1,CID1263391,,0.0,,0.0,,,0.0,0.0,,,,0.0,,0.0,0.0,,
O=C(Nc1ccc(NC(=S)NC(=O)c2ccccc2F)cc1)c1cccs1,CID1877144,,,,,,,,,,,,,,0.0,,,
COc1ccccc1C(=O)NC(=S)Nc1ccc(NC(=O)c2cccs2)cc1,CID1338834,,,,,,,,,,,,,,0.0,,,
COc1cc(NC(=S)NC(=O)c2cc(C)cc(C)c2)ccc1NC(=O)c1cccs1,CID2204949,,,,,,,,,,,,0.0,,,,,
CCc1c(O)n2c(cc1=O)C(C)(C)c1ccccc1-2,CID825212,,,,,,,,,,0.0,,,,,,,
Cc1c(O)n2c(cc1=O)C(C)(C)c1ccccc1-2,CID825197,,,,,,,,,,0.0,,,,,,,
Cc1c(O)n2c(cc1=O)C(C)(C)c1cc(Cl)ccc1-2,CID825210,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)c2ccc(N(C)C)cc2)c2ccccc12,CID815403,,,,,,,,,,,,0.0,,,,,
CN(C)c1ccc(C(=O)c2ccc(N(C)C)c3ccccc23)cc1,CID815398,,,,,,,,,,0.0,,,,,,,
COc1ccc(C(=O)c2ccc(Cl)cc2)c2ccccc12,CID604058,,,,,,,,,,,,,,0.0,,,
Cc1cccc(-c2nc(NCCCN3CCOCC3)c3ccccc3n2)c1,CID1566769,,,,,,,,,,,,0.0,,,,,
Fc1ccccc1-c1nc(NCCCN2CCOCC2)c2ccccc2n1,CID661646,,,0.0,0.0,,,,0.0,,,,,,,,,
c1ccc(-c2nc(NCCCN3CCOCC3)c3ccccc3n2)cc1,CID1564644,,,,,,,,0.0,,,,,,,,,0.0
Cc1ccc(/C=N/NC(=O)c2ccccn2)o1,CID683772,,,,,,,,,,,,,,,0.0,,
O=C(N/N=C/c1ccco1)c1ccccn1,CID768427,,,,,,0.0,,,,,,0.0,,,0.0,,
C/C(=N\NC(=O)c1ccccn1)c1ccco1,CID760277,,,,,,0.0,,,,,,0.0,,,0.0,,
Cc1cccc(Nc2nc(N)nc(CSc3nccn3C)n2)c1,CID895487,,,,,,,,,,0.0,,,,,0.0,,
Cc1ccc(Nc2nc(N)nc(CSc3nccn3C)n2)cc1,CID900603,,,,0.0,0.0,,,,,0.0,0.0,,,,,,
Cc1ccc(Nc2nc(N)nc(CSc3nccn3C)n2)c(C)c1,CID899532,,0.0,,,0.0,,,,,,,,,,,0.0,
CCn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)N1CCN(c2ccccc2)CC1,CID1008033,,,,,,,,,,,0.0,,,,,,
Cc1cccc(C(=O)NCc2nnc(SCC(=O)N3CCN(c4ccccc4)CC3)n2C)c1,CID2943409,0.0,0.0,,,,,,,0.0,0.0,0.0,,,,,0.0,
Cc1ccccc1C(=O)NCc1nnc(SCC(=O)N2CCN(c3ccccc3)CC2)n1C,CID2943009,,,,,,,,,,,0.0,,,,,,
CCC(Sc1nc2ccccc2s1)C(=O)Nc1cc(C)on1,CID3147269,,,,,,,,,,,0.0,,,,,,
Cc1cc(NC(=O)CSc2nc3ccccc3s2)no1,CID684682,,,,,,,,,,,,,,0.0,,,
CCOc1ccc2nc(SC(CC)C(=O)Nc3cc(C)on3)sc2c1,CID2928059,0.0,,,,0.0,,,,,0.0,,,,,,0.0,
CC1=C(C(=O)OCc2ccc3c(c2)OCO3)C(c2ccc(F)cc2)NC(=O)N1,CID645210,,,0.0,,,0.0,,,,,,,,,,,
CC1=C(C(=O)OCc2ccc3c(c2)OCO3)C(c2ccccc2)NC(=O)N1,CID2855400,,,,0.0,,0.0,,,0.0,,,0.0,0.0,,,,
CC1=C(C(=O)OCc2ccc3c(c2)OCO3)C(c2ccc(Cl)cc2)NC(=O)N1,CID2854508,,,,0.0,,0.0,0.0,,,,,,0.0,,,0.0,0.0
COc1nc(-c2ccccc2)ccc1-c1noc(-c2cccs2)n1,CID913801,0.0,,,,0.0,,0.0,0.0,,,,,,,,0.0,
COc1nc(-c2ccc(Cl)cc2)ccc1-c1noc(-c2cccs2)n1,CID2000920,,,,,,,,,,,,,,,0.0,,
COc1ccc(-c2ccc(-c3noc(-c4cccs4)n3)c(OC)n2)cc1,CID664482,0.0,,0.0,,0.0,,,0.0,,,,,,,,,
Cc1ccc(SC(C)C(=O)N2CCCC2)cc1,CID2942332,,,,,0.0,,,,,,,0.0,0.0,,,,
Cc1ccc(SCC(=O)N2CCCC2)cc1,CID875861,,,,,0.0,,0.0,,,0.0,,,,,,0.0,
O=C(CSc1ccc(Cl)cc1)N1CCCC1,CID875508,,,,,,,,,,,,,,0.0,,,
CC(C)CN1C(=O)/C(=C/c2ccco2)SC1=S,CID2145795,,,,,,0.0,,,,,,,,,,,
CC(=O)NN1C(=O)/C(=C/c2ccc(Br)o2)SC1=S,CID1581118,,,,,,,,,0.0,,,,,,,,
O=C(O)CCCN1C(=O)/C(=C\c2ccco2)SC1=S,CID1201156,,,,,,,,,,,,,,0.0,0.0,,
Cc1cc(NC(=O)c2cc(C)on2)no1,CID853491,,0.0,,,,,,,0.0,,,,,,0.0,,
Cc1cc(NC(=O)c2cc(CC(C)C)on2)no1,CID5308729,,,0.0,,,,,,,,,,,,,,
Cc1cc(NC(=O)c2cc(C(C)C)on2)no1,CID3238111,,,0.0,0.0,,,,0.0,,,,,0.0,,,,
Cn1c(Cc2ccccc2)nnc1SCC(=O)NC1CCCCC1,CID803815,0.0,,,,0.0,,0.0,,,,0.0,,,,,0.0,
CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)NC1CCCCC1,CID651653,0.0,,,,,0.0,,,,0.0,0.0,,0.0,,,0.0,0.0
COc1ccc(Cc2nnc(SCC(=O)NC3CCCCC3)n2C)cc1,CID1021267,0.0,0.0,0.0,0.0,0.0,,0.0,,,,,,0.0,,,0.0,0.0
CCn1nnnc1SCC(=O)Nc1nnc(C(C)C)s1,CID651054,,0.0,,,0.0,,,,,,,,,,,,
CCc1nnc(NC(=O)CSc2nnnn2C)s1,CID3152696,,,,,,,,,,0.0,,,,,0.0,,
CCCn1nnnc1SCC(=O)Nc1nnc(CC)s1,CID652927,,0.0,,,0.0,,,,,,,,,,,,
O=C(NCCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1,CID3237795,0.0,,,,0.0,,,,,,,0.0,0.0,,,,
Cc1ccc(CCNC(=O)C2CCN(S(=O)(=O)N3CCC4(CC3)OCCO4)CC2)cc1,CID3243641,,,0.0,,0.0,,,0.0,0.0,,,,,,,,0.0
O=C(NCCc1ccccc1)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1,CID3241077,,,0.0,,0.0,,0.0,0.0,0.0,,0.0,,,,,0.0,0.0
CCCn1c(Cc2ccccc2)nnc1SCC(=O)N1CCOCC1,CID1315922,,,,,,0.0,,,,,0.0,,,,,,
Cn1c(Cc2ccccc2)nnc1SCC(=O)N1CCOCC1,CID650578,,,,0.0,,,0.0,0.0,,,,,0.0,,,,
CCCCn1c(Cc2ccccc2)nnc1SCC(=O)N1CCOCC1,CID3181027,,,,,,,,,,,0.0,,,,,,
CC(CC(=O)N1CCc2ccccc21)c1ccccc1,CID2914368,,,,,,,,,0.0,0.0,0.0,,,,,,
COc1ccc(CCC(=O)N2c3ccccc3CC2C)cc1,CID2971574,,,,,,,,,,0.0,0.0,,,,,,
COc1ccc(CCC(=O)N2CCc3ccccc32)cc1,CID898384,,,0.0,,,,0.0,,,,0.0,,,,,0.0,
CCc1ncc(C(O)c2cccc3ccccc23)n1C,CID622353,0.0,0.0,,,,0.0,0.0,,,0.0,,,,,,,
CC(C)c1ncc(C(O)c2cccc3ccccc23)n1C,CID2881890,,,,0.0,,,,,,0.0,,,,,,0.0,
CCCc1ncc(C(O)c2cccc3ccccc23)n1C,CID619964,0.0,,,0.0,,,,,,0.0,,,,,0.0,,
O=C(COC(=O)c1ccccc1)Nc1ccccc1N1CCOCC1,CID847696,,,,,,,,,0.0,,0.0,,,0.0,,,
COc1cccc(C(=O)OCC(=O)Nc2ccccc2N2CCOCC2)c1,CID648944,0.0,0.0,,,,0.0,0.0,,0.0,,,,,,,,
Cc1ccc(C(=O)OCC(=O)Nc2ccccc2N2CCOCC2)cc1,CID978518,,,,,,,,,,0.0,0.0,,,,,,
COc1ccccc1N1CCN(C(c2cccs2)C(C)NS(=O)(=O)c2ccccc2)CC1,CID5310496,,,0.0,,,,,,,,0.0,,,,,0.0,0.0
CC(NS(=O)(=O)c1ccccc1)C(c1cccs1)N1CCN(c2ccccc2)CC1,CID3241515,,,,,0.0,,,,,0.0,,,0.0,,,,
COc1ccc(N2CCN(C(c3cccs3)C(C)NS(=O)(=O)c3ccccc3)CC2)cc1,CID3243661,,,0.0,,,,,,,,,,,,,,
Clc1ccc(OCCN2CCOCC2)cc1Cl,CID803039,,,,,,,,,,0.0,,,,,,,
CCC(=O)c1ccc(OCCN2CCOCC2)cc1,CID209941,,,,,,,,,,0.0,,,0.0,,,,
Clc1ccc(Cl)c(OCCN2CCOCC2)c1,CID869248,,,,,,,,,,0.0,,,,,,,
COc1ccc(CC(NC(C)=O)C(=O)N2CCN(C(=O)N(C(C)C)C(C)C)CC2)cc1,CID645981,0.0,,,,,,,,,,,,,,,,
CC(C)(C)c1cc(CCC(=O)N2CCNCC2)c(C(C)(C)C)cc1O,CID749965,0.0,,,,,,,0.0,0.0,,0.0,,0.0,,,,
CCCNS(=O)(=O)c1ccc(CCC(=O)N2CCN(CC)CC2)cc1,CID3156938,,,,,,,,,0.0,,,,,,,,
Cn1cccc1Cc1nnc(SCC(=O)NCc2ccccc2)n1-c1ccc(F)cc1,CID5308841,0.0,0.0,,,,,,,,,,,,,0.0,,
Cn1cccc1Cc1nnc(SCC(=O)NCc2ccccc2Cl)n1-c1ccc(F)cc1,CID5309240,0.0,,,,,,,,,,,0.0,,,,,
COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)NCc2ccccc2Cl)cc1,CID5309405,0.0,0.0,,,,,,,,,,,,,,,
CCc1cccc(NC(=O)CCc2nc(-c3cccs3)no2)c1,CID5309130,,,,,,,,,,,0.0,,,,,0.0,
COc1cc(OC)c(NC(=O)CCc2nc(-c3cccs3)no2)cc1Cl,CID3237135,,0.0,,,0.0,0.0,,,,0.0,,0.0,,,,,0.0
COc1ccccc1NC(=O)CCc1nc(-c2cccs2)no1,CID3240224,,0.0,,,0.0,0.0,,,,,,,,,,0.0,
CC(C)(C)c1ccccc1OCCOCCSc1ncccn1,CID2184847,,,,,,,,,,,,0.0,,,,,
c1ccc(OCCOCCSc2ncccn2)cc1,CID2935739,,,,,,,,0.0,,,,,0.0,,0.0,,0.0
Cc1cccc(OCCOCCSc2ncccn2)c1,CID2184789,,,0.0,,,,,,,,,0.0,0.0,,0.0,,
O=C(CSc1nc2ccccc2[nH]1)NCc1ccco1,CID673911,,0.0,,,0.0,,0.0,,,0.0,0.0,0.0,,,,,0.0
O=C(CSc1nc2ccc(Cl)cc2[nH]1)NCc1ccco1,CID2161180,0.0,0.0,0.0,0.0,,,,,,,,,0.0,,,,0.0
Cc1ccc2nc(SC(C)C(=O)NCc3ccco3)[nH]c2c1,CID4587433,,,,,,,,,,,0.0,,,,,,
COc1ccc(/C=C2/CCOC2=O)cc1,CID762416,,,,,,,,,,,,,,0.0,,,
COc1ccc(/C=C2\CCOC2=O)cc1,CID762415,,,,,,0.0,,,0.0,,,,,,,,
CC(=O)Oc1ccccc1/C=C1\CCOC1=O,CID2195204,,,,,,,,,0.0,,0.0,,,0.0,,,
Clc1ccc(-n2ncc3c(NCCN4CCOCC4)ncnc32)cc1,CID1307598,,0.0,,,,,0.0,,,,,,,,,,
c1ccc(-n2ncc3c(NCCN4CCOCC4)ncnc32)cc1,CID661000,,,,0.0,,,0.0,,,,0.0,,0.0,,,,
Cc1cccc(-n2ncc3c(NCCN4CCOCC4)ncnc32)c1,CID661193,,0.0,,,,,,0.0,,,,,,,,,
Cc1cccc(-c2nnc(SCC#N)n2Cc2ccccc2)c1,CID651828,0.0,0.0,,,,,0.0,,,,0.0,,,,,0.0,
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC#N)n2Cc2ccccc2)c1,CID2547683,0.0,0.0,,,,,0.0,,,0.0,0.0,,,,,0.0,
CCSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1Cc1ccccc1,CID2547678,0.0,,,,,,,,,,0.0,0.0,,,,,0.0
COCCn1c(SCC(=O)N2CCC(C)CC2)nc2ccccc2c1=O,CID2999104,,0.0,,0.0,,,0.0,0.0,,,0.0,,,,,,0.0
COCC(C)n1c(SCC(=O)N2CCCCC2)nc2ccccc2c1=O,CID2998284,,0.0,,,,0.0,,,,,,,0.0,,,,
COCCn1c(SCC(=O)N2CCCCC2)nc2ccccc2c1=O,CID2610765,,,,0.0,,,0.0,,0.0,,,,0.0,,,,0.0
COc1cc2c(C(=O)NCc3ccc4c(c3)OCO4)cn(C)c(=O)c2cc1OC,CID3243631,,,,0.0,,,,0.0,,,,,0.0,,,,
CCn1cc(C(=O)NCc2ccc3c(c2)OCO3)c2cc(OC)c(OC)cc2c1=O,CID3239391,,,,,,,0.0,,,0.0,0.0,,,,,,
COc1cc2c(C(=O)NCc3ccc4c(c3)OCO4)cn(CC(C)C)c(=O)c2cc1OC,CID3240305,,,,0.0,,,,,0.0,,,,,,,,
Cc1[nH]c(NCc2ccccc2)nc(=O)c1CCC(C)C,CID939233,,0.0,,0.0,,,,0.0,,,,,,,,,
CCCCCc1c(C)[nH]c(NCc2ccccc2)nc1=O,CID2066253,,0.0,0.0,0.0,,0.0,,,,0.0,,,,,,,
CCCc1cc(=O)nc(NCc2ccc(Cl)cc2)[nH]1,CID734785,0.0,0.0,,,,,,,,0.0,,,,,0.0,,0.0
COCCn1cc(C(=O)N2CCC3(CC2)OCCO3)c2c3ccccc3n(C)c2c1=O,CID3242541,,,,,,0.0,,0.0,,,0.0,,,,,,
CC(C)Cn1cc(C(=O)N2CCC3(CC2)OCCO3)c2c3ccccc3n(C)c2c1=O,CID3237132,,,,,0.0,0.0,,,,,,,,,,,
Cn1cc(C(=O)N2CCC3(CC2)OCCO3)c2c3ccccc3n(C)c2c1=O,CID3244480,,,0.0,0.0,,,,0.0,,,,,,,,,
COc1ccc(CCNS(=O)(=O)c2ccc(Cl)s2)cc1OC,CID2353985,,,,,,,,,,,,,,0.0,0.0,,
CCOC(=O)CNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1cccs1,CID3243538,,,,,0.0,,,,,,,,,,,,
COc1ccc(CCNS(=O)(=O)c2cccs2)cc1,CID769090,,,0.0,,,,0.0,,,,,,0.0,0.0,,,0.0
COc1ccc(Nc2nc3ccccc3nc2-n2nc(C)cc2C)cc1,CID914394,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)n(-c2nc3ccccc3nc2Nc2ccc(CC(=O)O)cc2)n1,CID5307671,,,,,,0.0,,0.0,,,,,,,,,
COc1cccc(Nc2nc3ccccc3nc2-n2nc(C)cc2C)c1,CID9550638,,,,,,,,,0.0,,,,,,,,
Cc1nnc(SCc2ccccc2F)n1NCc1cccs1,CID851522,,0.0,0.0,,0.0,,,,,,0.0,,,,,,
Cc1ccsc1CNn1cnnc1SCc1ccccc1F,CID851524,,0.0,0.0,0.0,0.0,,0.0,,,,,,,,,,
Fc1ccccc1CSc1nncn1NCc1cccs1,CID3965361,,,,,,,,,,,0.0,,,,,,
O=C(NCc1ccco1)C(C(=O)c1ccc(F)cc1)n1ccccc1=O,CID645392,,,0.0,,,,,,,,,,0.0,,,,
O=C(NCc1ccco1)C(C(=O)c1ccccc1)n1ccccc1=O,CID653389,,,,,,,0.0,0.0,,,,,,,,,
Cc1ccc(=O)n(C(C(=O)NCc2ccco2)C(=O)c2ccc(F)cc2)c1,CID648491,,,,,,,0.0,,,,0.0,,,,,0.0,
COc1cc(C2C(C#N)=C(N)Oc3cc(C)n(CCN4CCOCC4)c(=O)c32)cc(OC)c1OC,CID662014,,,,,,,,,,,,,,,,0.0,
CCOc1ccc(C2C(C#N)=C(N)Oc3cc(C)n(CCN4CCOCC4)c(=O)c32)cc1OCC,CID661687,,,,,,,,0.0,,,,,,,,0.0,0.0
COc1ccc(C2C(C#N)=C(N)Oc3cc(C)n(CCN4CCOCC4)c(=O)c32)cc1OC,CID661896,0.0,,,,,,,,,,,,,,,0.0,
COc1ccccc1CNC(=O)C(C)NS(=O)(=O)c1ccccc1,CID2963973,,0.0,0.0,,0.0,,,0.0,0.0,,,,0.0,,,,
COc1ccccc1CNC(=O)C(C)NS(=O)(=O)c1ccc(C)cc1,CID2957389,,,0.0,,0.0,,,,,0.0,,,,,,,
COc1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccccc2)cc1,CID890682,,,,,,,,,,,,,,,0.0,,
CCn1c(C)nc2c(=O)oc3ccccc3c21,CID648915,,,,,,,,,,,,,0.0,,,0.0,
CCC(C)n1cnc2c(=O)oc3ccccc3c21,CID2842825,,,,,,,,,,,0.0,,,,,,
Cn1c(C(F)(F)F)nc2c(=O)oc3ccccc3c21,CID3243819,,,,,,,0.0,,,,,,,0.0,,,
CC(C)CC(c1nnnn1CC1CCCO1)N1CCN(c2nc3ccccc3s2)CC1,CID648911,,0.0,,,0.0,,0.0,,,,0.0,,,,,0.0,
c1ccc2sc(N3CCN(Cc4nnnn4CC4CCCO4)CC3)nc2c1,CID649421,,0.0,,,0.0,,,,,,0.0,,0.0,,0.0,,
CCCC(c1nnnn1CC1CCCO1)N1CCN(c2nc3ccccc3s2)CC1,CID3195671,,,,,,,,,,,0.0,,,,,,
CCCOc1ccc(CC(=O)NCC2(c3ccccc3)CCOCC2)cc1OC,CID2940239,,,,,,,,,0.0,,,,,,,,
COc1ccc(C2(CNC(=O)Cc3ccc(OC)c(OC)c3)CCOCC2)cc1,CID1082888,,,,,,,,,0.0,,0.0,,,,,,
COc1ccc(CC(=O)NCC2(c3ccc(OC)c(OC)c3)CCOCC2)cc1,CID2861800,,,,,,,,,0.0,,,,,,,,
Cc1cc(C)n(C(=O)CCC(=O)Nc2ccc(C)c(C)c2)n1,CID729867,,,,,,,,,,,,,,,0.0,,
Cc1ccc(NC(=O)CCC(=O)n2nc(C)cc2C)c(C)c1,CID703660,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(NC(=O)CCC(=O)n2nc(C)cc2C)cc1,CID2139744,,,,,0.0,,,,0.0,,,,,,0.0,,
Cc1oc2c(c1C(=O)O)C(=O)c1ccccc1C2=O,CID693329,,,,,,,,,,,,,,,0.0,,
CC(=O)c1c(C)oc2c1C(=O)c1ccccc1C2=O,CID879233,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1c(C)oc2c1C(=O)c1ccccc1C2=O,CID879093,,,,,,,,,,,,,,0.0,,,
Cc1nnn(C23CC4CC(CC(C4)C2)C3)n1,CID584618,,0.0,0.0,,,,,,,,,,,,0.0,,
NNC(=O)C12CC3CC(C1)CC(n1ncnn1)(C3)C2,CID3396518,,,,,,,,,,,,,,0.0,,,
c1nnn(C23CC4CC(CC(C4)C2)C3)n1,CID2841036,,0.0,0.0,,,,,,,,0.0,0.0,,,0.0,,
Cc1cccc(NC(=O)c2onc3c2CCCC3)c1C,CID850471,,,,,,0.0,,,,,,0.0,,,,,
Cc1ccccc1NC(=O)c1onc2c1CCCC2,CID850473,,,,,,,,,,,,0.0,,,,,
COc1ccc(N(C)C(=O)c2onc3c2CCCC3)cc1,CID850739,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1c(NC(=O)Cc2cccs2)sc2c1CCCC2,CID653152,,,0.0,,,0.0,0.0,,,0.0,,,,0.0,,,
COC(=O)c1c(NC(=O)Cc2cccs2)sc2c1CCC(C)C2,CID2849946,,,,,,,,,,,,,,,0.0,,
COC(=O)c1c(NC(=O)Cc2cccs2)sc2c1CCCC2,CID645969,,,0.0,,,,0.0,,,1.0,,,0.0,0.0,0.0,,
CN1C(=O)c2oc3ccc(Br)cc3c(=O)c2C1c1ccncc1,CID665519,0.0,,,,,,,,0.0,,,,,,,,0.0
CCN(CC)CCN1C(=O)c2oc3ccc(F)cc3c(=O)c2C1c1ccncc1,CID5310229,,,0.0,,,,,,,,,,,,,,
CN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccncc1,CID665632,,,,,,0.0,,,,,,,,,,0.0,
Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2ccc3c(c2)OCCO3)c1,CID3239180,0.0,,,,0.0,,,,,,,,,,,,
O=C(CSc1nccn1-c1cccc(Cl)c1)Nc1ccc2c(c1)OCCO2,CID5228460,0.0,0.0,0.0,,,0.0,,,,,,,0.0,,,,
Cc1cccc(-n2ccnc2SCC(=O)Nc2ccc3c(c2)OCCO3)c1,CID3245485,0.0,0.0,,0.0,0.0,,0.0,,,,,,0.0,,,,0.0
Cc1cccc(C(=O)NC(C(=O)Nc2ncc(C)s2)C(C)C)c1,CID2091399,,,,,,,,,,,,,,0.0,,,
Cc1csc(NC(=O)C(NC(=O)c2ccccc2)C(C)C)n1,CID2341051,,,,,,,,,,,,,,0.0,,,
Cc1cccc(C(=O)NC(C(=O)Nc2nc(C)cs2)C(C)C)c1,CID2082289,,,,,,,,,,,,,,0.0,,,
O=C(Cn1nnc(-c2ccccc2)n1)N1CCN(c2ccc(F)cc2)CC1,CID1264121,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(-c2nnn(CC(=O)N3CCN(c4ccc(F)cc4)CC3)n2)cc1OCC,CID651648,,,,,,,,,,,,,,,,0.0,0.0
CCOc1ccc(-c2nnn(CC(=O)N3CCN(c4ccc(OC)cc4)CC3)n2)cc1OCC,CID653769,0.0,,,,,,,,,0.0,,,,,,,
CN(C)c1ccc(/C=C/c2ccncc2)cc1,CID688200,,,,,,,,,,,,,,,,0.0,
COc1ccc(/C=C/c2ccncc2)cc1,CID735606,,,,,,0.0,,,0.0,,0.0,,,,,,
COc1ccc(/C=C/c2ccncc2)cc1OC,CID703616,,,,,,,,,0.0,,0.0,,,,,,
COC(=O)C1CCN(c2nc3ccccc3nc2C(C#N)C(=O)NCCc2ccccc2)CC1,CID659743,0.0,,,,,,0.0,,,,0.0,0.0,,,,,
N#CC(C(=O)NCCc1ccccc1)c1nc2ccccc2nc1N1CCCCC1,CID659384,,,0.0,,,0.0,,0.0,,,,,,,,,
CCOC(=O)C1CCN(c2nc3ccccc3nc2C(C#N)C(=O)NCCc2ccccc2)CC1,CID659607,0.0,,,,,,,,,,0.0,0.0,,,,0.0,
CCOC(=O)N1CCC(NCCNC(=O)c2ccc(Cl)cc2)CC1,CID645621,,,,,,,,,,,0.0,,,,,,
CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2)CC1,CID650899,,0.0,,,,,,,,,,,0.0,,,0.0,
CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2Cl)CC1,CID644390,0.0,,,,,,0.0,,,,,,,,,0.0,
COc1ccccc1NC(=O)CSc1nnnn1-c1ccc2c(c1)OCO2,CID650626,,0.0,,,,,,0.0,,,,,,,,0.0,
Cc1ccc(NC(=O)CSc2nnnn2-c2ccc3c(c2)OCO3)cc1C,CID1175681,,,,,,,,,,,1.0,,,,,,
COc1ccc(OC)c(NC(=O)CSc2nnnn2-c2ccc3c(c2)OCO3)c1,CID653731,,0.0,,0.0,,,,,,,,,,,,0.0,
CSc1ccc(/C=N/n2nnnc2N)cc1,CID685360,,,,,,,,,,0.0,0.0,,,,,,
CCN(C)c1ccc(/C=N/n2nnnc2N)cc1,CID3235995,,0.0,,0.0,,,,,,,,,,,,,
Nc1nnnn1/N=C/c1ccccc1C(F)(F)F,CID684402,0.0,0.0,,,,,,,,,,,,,,,
CCc1cccc(CC)c1NC(=O)CSc1nc(=O)c(CCC(=O)O)n[nH]1,CID2526561,,,,,,,,,,,,,,,0.0,,
Cc1n[nH]c(SCC(=O)Nc2ccccc2)nc1=O,CID859681,,,,,,,,,,0.0,,0.0,,,,,
Cc1n[nH]c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nc1=O,CID1073214,0.0,0.0,,,0.0,,,0.0,,0.0,,,,,,0.0,
CCn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nnc1-c1ccco1,CID1319471,0.0,,0.0,0.0,0.0,,,,,0.0,,0.0,,0.0,,,
Cn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nnc1-c1ccco1,CID1072554,0.0,,,,0.0,,0.0,,,0.0,0.0,,0.0,,0.0,,
Cn1c(SCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)nnc1-c1ccco1,CID648296,,,,,0.0,,,,,,,,0.0,,,,0.0
COc1ccc2nc(SCC(=O)Nc3ccc(/C=C/c4ccccc4)cc3)[nH]c2c1,CID1364822,,,,,,0.0,,,,,,,,,,,
Cc1ccc2nc(SCC(=O)Nc3ccc(/C=C/c4ccccc4)cc3)[nH]c2c1,CID2264931,,,,,,0.0,,,,,,,,,,,
O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(/C=C/c2ccccc2)cc1,CID1222626,,,,,,0.0,,,,,,,,,,,
O=c1c2c(nc3c(-c4ccccc4)c[nH]n13)CCC2,CID754808,,,,,,,,,,0.0,0.0,0.0,,,,,
Cc1[nH]n2c(=O)c3c(nc2c1-c1ccc(Cl)cc1)CCC3,CID653420,,0.0,,,,,0.0,,,0.0,,,,,,,
Cc1[nH]n2c(=O)c3c(nc2c1-c1ccccc1)CCC3,CID687427,0.0,,,,,,,0.0,,,,,,,,0.0,
COc1cccc(C2=NOC(C(=O)NC3CCCCC3)C2)c1,CID3237669,0.0,,,,,,,0.0,,,,0.0,0.0,,,,
COc1cc(C2=NOC(C(=O)NC3CCCCC3)C2)cc(OC)c1OC,CID3240617,0.0,,0.0,,,0.0,,,,0.0,,,0.0,,,,
COc1ccc(C2=NOC(C(=O)NC3CCCCC3)C2)cc1OC,CID3244809,0.0,,,,,,,,,,,,,,,,
O=C(Cn1nnc2ccccc21)N/N=C/c1ccco1,CID770368,,,,,,,,,,,,,,0.0,,,
C/C(=N\NC(=O)Cn1nnc2ccccc21)c1ccco1,CID760652,,,,,,,,,,,,,,0.0,,,
Cc1ccc(/C=N/NC(=O)Cn2nnc3ccccc32)o1,CID847640,,,,,,0.0,,,,,,,,0.0,,,
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(C(=O)Nc3cccc(Cl)c3C)c2)CC1,CID9550126,,,,,,,,,,,,,,,0.0,,
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(C(=O)Nc3cc(C)cc(C)c3)c2)CC1,CID3239123,,,0.0,,,,0.0,,,,,,,,,,0.0
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(C(=O)Nc3cccc(C)c3C)c2)CC1,CID3241854,,,0.0,,,,,,,,,,,,,,
Cc1ccc(S(=O)(=O)Nc2nc(C)cc(-n3nc(C)cc3C)n2)cc1,CID1068834,,,,,,,,,,,0.0,,,,,,
Cc1cc(-n2nc(C)cc2C)nc(NS(=O)(=O)c2ccccc2)n1,CID777146,,0.0,0.0,,0.0,,,,,,,,,,,,
CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(-n3nc(C)cc3C)n2)cc1,CID1120173,,,,0.0,0.0,,,,,,,,0.0,,,,
Cc1ccc(S(=O)(=O)N2CCOCC2)c2nsnc12,CID816759,,,,,,,,,,,0.0,,,,,,
O=S(=O)(c1cccc2nsnc12)N1CCOCC1,CID655676,,,,,0.0,0.0,,,,0.0,,,,,,,
Cc1ccc2nsnc2c1S(=O)(=O)N1CCOCC1,CID701416,,,,,,0.0,,,,0.0,,,,,,,
Cn1c(N/N=C/c2cccs2)cc(=O)n(C)c1=O,CID2881000,,,,,,,,,,,0.0,,,0.0,,,
CCN(/N=C/c1cccs1)c1cc(=O)n(C)c(=O)[nH]1,CID3107555,,,,,,,,,0.0,0.0,0.0,0.0,,,,,
CN(/N=C/c1cccs1)c1cc(=O)n(C)c(=O)[nH]1,CID3107554,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1,CID1045737,,0.0,,,0.0,0.0,0.0,,,,0.0,,,,0.0,,
COC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(Cl)cc1,CID1259460,,,,,0.0,,0.0,,,,,,0.0,,,,0.0
CCOC(=O)c1nnn(-c2nonc2N)c1CSc1ccccc1,CID977334,,,,,,,,,,0.0,,,,0.0,0.0,,
CCOC(=O)c1c(-c2cccs2)csc1NC(=O)CN1CCOCC1,CID1190260,,,0.0,,0.0,,,,,0.0,0.0,,0.0,,,,
CCOC(=O)c1c(-c2cccs2)csc1NC(=O)CN1CC(C)OC(C)C1,CID2999281,,,0.0,,,,,,,0.0,0.0,,0.0,,,,
COC(=O)c1c(-c2cccs2)csc1NC(=O)CN1CCOCC1,CID1189893,,,,,0.0,,,,,0.0,0.0,,0.0,0.0,,,
O=C1CCCc2c1nc(-c1cccc(Cl)c1)n2O,CID755326,,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2nc3c(n2O)CCCC3=O)cc1OC,CID657557,,,,,,,,,,,,0.0,0.0,,,,
O=C1CCCc2c1nc(-c1ccccc1)n2O,CID727263,,,0.0,0.0,,,,,,0.0,,,0.0,,,0.0,
O=C1/C(=C/c2ccccc2[N+](=O)[O-])COc2ccccc21,CID1550029,,,,,,,,,,,,,,0.0,,,
CNc1ccc(/C=C2\COc3ccccc3C2=O)cc1[N+](=O)[O-],CID7760876,,,,,,,,,,,0.0,,,,,,
CCOc1cc(/C=C2/COc3ccccc3C2=O)ccc1OCC(=O)N(C)C,CID2697354,,,,,,,,,,,,,,,0.0,,
CC(C)Nc1nc(-c2ccccc2)nc(-n2ccnc2)n1,CID714193,,0.0,,,,,,,,,,,0.0,,,,
CCCCNc1nc(-c2ccccc2)nc(-n2ccnc2)n1,CID4004860,,,,,,0.0,,,,,0.0,,,,,,
C=CCNc1nc(-c2ccccc2)nc(-n2ccnc2)n1,CID3243970,,0.0,,,,,,,,,,,,,,,
O=C(NCc1ccc(F)cc1)C(c1cccs1)N(C(=O)c1csnn1)C1CC1,CID647978,,,,,0.0,,,,,0.0,,,,,,,
COc1ccc(CNC(=O)C(c2cccs2)N(C(=O)c2csnn2)C2CC2)cc1,CID644506,0.0,,0.0,0.0,0.0,,,,,,0.0,,,,,0.0,0.0
O=C(NCc1ccccc1)C(c1cccs1)N(C(=O)c1csnn1)C1CC1,CID650862,0.0,0.0,0.0,,0.0,0.0,,,0.0,0.0,0.0,,,0.0,,0.0,0.0
Cn1c(=O)c2c(nc(SCC(=O)N3CCc4ccccc4C3)n2C)n(C)c1=O,CID655060,,,,,,,,,,,,,,,,,0.0
CCCn1c(SCC(=O)N2CCc3ccccc3C2)nc2c1c(=O)n(C)c(=O)n2C,CID648659,,0.0,,0.0,,,,0.0,,,,,,,,,0.0
CCn1c(SCC(=O)N2CCc3ccccc3C2)nc2c1c(=O)n(C)c(=O)n2C,CID652206,,0.0,,,,,0.0,0.0,,,,,,,,,
Cc1cccc(NC(=S)NC2CC3CCCC(C2)N3CC(C)C)c1,CID3217885,,,,,,,,,,0.0,,,,,,,
CCCN1C2CCCC1CC(NC(=S)Nc1cccc(C)c1)C2,CID3217961,,,,,,,,,,,,,,,0.0,,
CCCN1C2CCCC1CC(NC(=S)Nc1cc(C)ccc1C)C2,CID3217962,,,,,,,,,,,,,,,0.0,,
CC(=O)c1cccc(NC(=O)NC2CC3CCCC(C2)N3CC(C)C)c1,CID3217883,,,,,,,,,0.0,,,,,,,,
CCCN1C2CCCC1CC(NC(=O)Nc1cccc(C(C)=O)c1)C2,CID647023,,,,,,,,,0.0,,0.0,,,,,0.0,0.0
C=CCN1C2CCCC1CC(NC(=O)Nc1cccc(C(C)=O)c1)C2,CID650488,0.0,,,,,,,,0.0,,0.0,,0.0,,,0.0,0.0
Cc1ccc(C)c(CN2CCC(n3nnc4cc(F)ccc43)CC2)c1,CID650506,,0.0,,,,,,0.0,,,,0.0,,,,,
Fc1ccc2c(c1)nnn2C1CCN(Cc2c(Cl)cccc2Cl)CC1,CID3229039,,,,,,,,,,,,0.0,,,,,
Fc1ccc2c(c1)nnn2C1CCN(Cc2ccccc2)CC1,CID648387,,0.0,,,,,,,,,,,,,,,
CC1CCC(NC(=O)c2ccc(N3CCCC3=O)cc2)CC1,CID3238172,,,,,0.0,0.0,,,,,0.0,0.0,0.0,,,,0.0
CC1CCCCC1NC(=O)c1ccc(N2CCCC2=O)cc1,CID3236071,,,0.0,,,,,,,0.0,,,,,,,0.0
O=C(NC1CCCCC1)c1ccc(N2CCCC2=O)cc1,CID3238606,,,,,0.0,,,,,,,0.0,0.0,,,,
COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1OC,CID3238171,,,,,0.0,,,0.0,,,0.0,,,,,,0.0
CCC(Cc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1,CID9550290,,,,,,,,,,0.0,,,,,,,
Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1,CID9551049,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(c2sc3nc(C)nn3c2O)N2CCC3(CC2)OCCO3)cc1,CID3238174,,,,,0.0,,,0.0,,,,,,,0.0,,
COc1cccc(C(c2sc3nc(C)nn3c2O)N2CCC3(CC2)OCCO3)c1,CID3243527,,,,,0.0,,,,,,,,,,,,
COc1cc(C(c2sc3nc(C)nn3c2O)N2CCC3(CC2)OCCO3)cc(OC)c1OC,CID3241803,,,,,0.0,0.0,,,0.0,0.0,,,0.0,,,,0.0
COc1ccccc1CNC(=O)CN(C)CC(=O)Nc1cccc(F)c1,CID2998621,,0.0,0.0,,,,,,0.0,,,,,,,,
COc1ccc(CNC(=O)CN(C)CC(=O)Nc2cccc(F)c2)cc1,CID2571798,,,,,,,,,,0.0,,0.0,,,,,
CSc1ccccc1NC(=O)CN(C)CC(=O)NCc1ccccc1,CID2449013,,,,,,,,,,,,,,0.0,,,
CCC1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc(C#N)c2)C1=O,CID2999570,,,,,,,0.0,0.0,,,,,,,,,
CC1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc(C#N)c2)C1=O,CID2998470,,,,,,0.0,0.0,,,,,,,,,,
Cc1cc(C)cc(NC(=O)CN2C(=O)NC(C)(c3ccccc3)C2=O)c1,CID9551955,,,,,,,,,,,0.0,,,,0.0,,
O=C(c1cccc(OC(F)F)c1)N1CCN(c2ncccn2)CC1,CID2999574,,,,,0.0,,,,,,,,,,,,
COc1cc(OC)cc(C(=O)N2CCN(c3ncccn3)CC2)c1,CID2169472,,,,,,0.0,,,,,,,,,0.0,,
COc1cccc(C(=O)N2CCN(c3ncccn3)CC2)c1,CID3238602,,,0.0,,,,,0.0,,,,,0.0,,,,
O=C(Nc1ccccc1)c1ccccc1NS(=O)(=O)c1ccc(Cl)s1,CID2200848,,,,,,,,,,,,0.0,,0.0,0.0,,
COc1ccccc1NC(=O)c1ccccc1NS(=O)(=O)c1cccs1,CID2329070,,,,,,,,,,,,,,0.0,,,
COc1ccc(C)cc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)s1,CID2359990,,,,,,,,,,,,,,0.0,,,
CC1CCCCC1NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1,CID645121,,0.0,0.0,,0.0,,,,0.0,,,,,,,,
O=C(NC1CCCCC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1,CID1428476,0.0,,,,0.0,,,,,,0.0,,,,,,
O=C(NC1CCC(O)CC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1,CID2465138,,,,,,,,,,,0.0,,,,,,
Cc1ccc(C(=O)Oc2cc(-c3ccccc3)no2)cc1,CID1474650,,,,,,,,,,0.0,,,,,,,
O=C(Oc1cc(-c2ccccc2)no1)c1ccc(Cl)cc1,CID1474651,,,,,,0.0,,,,,,,,,,,
O=C(Oc1cc(-c2ccccc2)no1)c1ccc(F)cc1,CID1474653,,,,,,0.0,,,,,,,,0.0,,,
Cc1oc2cc(O)ccc2c(=O)c1-c1cnn(-c2ccccc2)c1,CID5389254,,0.0,,,,,,0.0,,,,,0.0,,0.0,,
COc1ccc2c(=O)c(-c3cnn(-c4ccccc4)c3)c(C)oc2c1,CID786636,,,,,,0.0,,,0.0,,,,,0.0,,,
Cc1oc2cc(O)cc(C)c2c(=O)c1-c1cnn(-c2ccccc2)c1,CID5389030,,,0.0,0.0,,,,,0.0,,,,,,,,
Cn1c(=O)c2c(nc(NCCc3ccccc3)n2Cc2ccccc2)n(C)c1=O,CID983212,,,0.0,0.0,,,,,,,,,0.0,,,,
Cn1c(=O)c2c(nc(NCCc3ccccc3)n2Cc2ccc(F)cc2)n(C)c1=O,CID983395,,0.0,,,,,,,,0.0,0.0,,,,,,
Cc1ccc(Cn2c(NCCc3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)cc1,CID648496,0.0,0.0,,0.0,,,,,,,,,,,,,0.0
CCSc1sccc1C1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)CC(C)(C)C2,CID2907785,,,,,0.0,,,,0.0,,,,,,,,
CCSc1sccc1C1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)CCC2,CID2908583,,,,0.0,0.0,,,,0.0,0.0,,,0.0,,,,0.0
CSc1sc(C)cc1C1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)CCC2,CID3242116,,,,,0.0,0.0,,,0.0,0.0,,,0.0,,,,0.0
CN1CCN(C(=S)c2cn(Cc3ccc(Br)cc3)c3ccccc23)CC1,CID16193230,,,,,,,,,,,,,,0.0,,,
CN1CCN(C(=S)c2cn(Cc3cccc(F)c3)c3ccccc23)CC1,CID16193229,,,,,,,,,,,,,,0.0,,,
CN1CCN(C(=S)c2cn(Cc3ccc(F)cc3)c3ccccc23)CC1,CID6620819,,,,,,,,,,,,,,,0.0,,
CC(NC(=O)Cn1nc(C(=O)O)c2ccccc2c1=O)c1ccccc1,CID2998102,,,,,,,,0.0,,,0.0,,,,,,
Cc1nn(CC(=O)NC(C)c2ccccc2)c(=O)c2ccccc12,CID661228,,,,0.0,0.0,,0.0,,0.0,,,,0.0,,,,
Cc1nn(CC(=O)NCc2ccccc2)c(=O)c2ccccc12,CID589822,,0.0,,,0.0,0.0,,,0.0,,,,,,,,
Clc1cccc(Oc2ncc(CN3CCOCC3)s2)c1,CID2768169,,,,,,,,,,,,,,,0.0,,
Brc1ccc(Oc2ncc(CN3CCOCC3)s2)cc1,CID1482780,,,,,,,,,,,,,,0.0,,,
Cc1ccc(Oc2ncc(CN3CC(C)OC(C)C3)s2)cc1,CID2768180,,,,,,,,,,,,0.0,,,,,
CSc1cccc(NC(=O)COc2cccc3ccccc23)c1,CID1540015,,,,,,,,,,,,0.0,,,,,
COc1ccc(C)cc1NC(=O)COc1cccc2ccccc12,CID1358309,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC(=O)COc2cccc3ccccc23)c(OC)c1,CID873371,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C)c(N2CCN(C(=O)CCCOc3cc(=O)n(C)c4ccccc34)CC2)c1,CID3245209,0.0,,,,0.0,0.0,0.0,0.0,,,,,,,,,
Cn1c(=O)cc(OCCCC(=O)N2CCN(c3ccccc3)CC2)c2ccccc21,CID3239709,0.0,,,,0.0,,,0.0,0.0,,,,,,0.0,,
COc1ccc(N2CCN(C(=O)CCCOc3cc(=O)n(C)c4ccccc34)CC2)cc1,CID3245462,0.0,,,,0.0,,,,,,,,0.0,,,,
Cc1cc2c3c(c1C)C1(C(=O)N3C(C)(C)CC2C)C(C#N)=C(N)Oc2cc(O)ccc21,CID2959217,,,,,,,,,0.0,,0.0,,,,,,
Cc1ccc2c3c1C1(C(=O)N3C(C)(C)CC2C)C(C#N)=C(N)Oc2cc(O)ccc21,CID2953159,,,,,,,,0.0,0.0,,,,0.0,,,,
Cc1cc2c3c(c1)C1(C(=O)N3C(C)(C)CC2C)C(C#N)=C(N)Oc2cc(O)ccc21,CID2958055,,,,0.0,,,,,0.0,,,,0.0,,,,
CC(=O)c1sc2nc(-c3ccc(C)cc3)c3c(c2c1N)CCCC3,CID930578,,,,,,,,,,,,,,0.0,,,
COC(=O)c1sc2nc(-c3ccccc3)c3c(c2c1N)CCCC3,CID5157485,,,,,,0.0,,,,,,,,,,,
NC(=O)c1sc2nc(-c3ccccc3)c3c(c2c1N)CCCC3,CID789677,,,,,,,,,,,,,,,0.0,,
Cc1ccc(N2C(=O)c3n[nH]c(C)c3C2c2cccnc2)cc1,CID663347,,,,,,0.0,,,,,,0.0,,,,,
Cc1[nH]nc2c1C(c1cccnc1)N(c1ccc(Br)cc1)C2=O,CID662242,0.0,,,,,,,,0.0,,0.0,,,,,0.0,0.0
CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(C)c3C2c2cccnc2)cc1,CID663335,,,0.0,,,,0.0,,,,,0.0,,,,,
COc1ccc(/C=N/n2cnnc2SCc2ccccc2)cc1,CID804041,0.0,,,,0.0,,0.0,,,,0.0,,,,,0.0,
Fc1ccc(Cl)cc1/C=N/n1cnnc1SCc1ccccc1,CID4123501,,,,,,,,,0.0,,,,,,,,
COc1ccc(/C=N/n2cnnc2SCc2ccc(OC)cc2)cc1,CID1311953,0.0,0.0,,,0.0,,0.0,,,,,,,,,0.0,
CSc1nc(N(CCO)CCO)c2sc3nc(-c4ccco4)c4c(c3c2n1)CCC4,CID665142,,,0.0,,,,,,,,,,0.0,,,0.0,
CSc1nc(NCCOCCO)c2sc3nc(-c4ccco4)c4c(c3c2n1)CCC4,CID665043,,,,,,,0.0,,,,,,,,,0.0,0.0
CCN(CCO)c1nc(SC)nc2c1sc1nc(-c3ccco3)c3c(c12)CCC3,CID4435646,,,,,,1.0,,,,,,,,,,,
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CN3C(=O)c4ccccc4C3=O)cc2)nc(C)n1,CID1285300,,,,,,,0.0,0.0,0.0,,,,0.0,,,0.0,
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C(CC(C)C)N3C(=O)c4ccccc4C3=O)cc2)nc(C)n1,CID2789368,,,,,,,,,0.0,,,,,,,,
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C(C)N3C(=O)c4ccccc4C3=O)cc2)nc(C)n1,CID2938621,,,,,,,,0.0,0.0,,,,0.0,,,0.0,0.0
Cc1ccc(COc2ccsc2-c2n[nH]c(=S)n2C)cc1,CID1482496,,,,,,,,,,,,,,,0.0,,
Cn1c(-c2sccc2OCc2ccccc2)n[nH]c1=S,CID1482495,,,,,,0.0,,,,,,,,0.0,,,
Cn1c(-c2sccc2OCc2ccc(Cl)cc2Cl)n[nH]c1=S,CID1482500,,,,,,,,,,,,,,0.0,,,
COc1ccc(-n2c(SCC(=O)NCCC(C)C)nc3ccsc3c2=O)cc1,CID4986604,,,,,,0.0,,,,,,,,,,,
Cc1nc2ccsc2c(=O)n1-c1ccc(Cl)cc1,CID3594455,,,,,,,,,,,,,,0.0,,,
COc1ccc(-n2c(SCC(=O)C(C)(C)C)nc3ccsc3c2=O)cc1,CID3579351,,,,,,,,,,,,,,,0.0,,
O=C(CCN1C(=O)c2ccccc2C1=O)NC(=S)Nc1ccccc1,CID1188247,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)cc(NC(=S)NC(=O)CCN2C(=O)c3ccccc3C2=O)c1,CID1181846,,,,,,,,,,,,0.0,,0.0,,,
O=C(CCN1C(=O)c2ccccc2C1=O)NC(=S)Nc1ccccc1Cl,CID1181845,,,,,,,,,,,,,,,0.0,,
O=C(NCc1ccccc1)c1ccc2c(c1)OCCO2,CID718621,,,,,,,0.0,,0.0,0.0,0.0,,0.0,,,0.0,
CN(Cc1ccccc1)C(=O)c1ccc2c(c1)OCCO2,CID788859,,,,,,,0.0,,0.0,0.0,,,,0.0,0.0,0.0,
CC(C)(C)N(Cc1ccccc1)C(=O)c1ccc2c(c1)OCCO2,CID664485,0.0,,,,,,,0.0,,,0.0,,0.0,,,0.0,
CCCC(=O)Nc1nc2ccc(NC(=O)c3ccccc3F)cc2s1,CID3160188,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)Nc2ccc3nc(C)sc3c2)cc1OC,CID2462661,,,,,,,,,,,,,,0.0,,,
Cc1nc2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2s1,CID1203284,,,,,,,,,,,,,,,0.0,,
O=C(Cc1ccccc1)Nc1cccc(-c2nnc(-c3ccco3)o2)c1,CID661114,0.0,,,0.0,,,,,,,,0.0,0.0,0.0,,,0.0
O=C(Cc1ccc(Cl)cc1)Nc1cccc(-c2nnc(-c3ccco3)o2)c1,CID661170,0.0,,,,0.0,0.0,0.0,,,,,,,,,,
COc1ccc(CC(=O)Nc2cccc(-c3nnc(-c4ccco4)o3)c2)cc1,CID661251,0.0,,0.0,,,,,,,,,0.0,,,,,
COCCN1C(SCC(=O)N(C(C)C)C(C)C)=NN/C1=C1\C=c2ccccc2=CC1=O,CID6398944,,,0.0,,,,0.0,,,,,0.0,0.0,,,,
CCN(CC)C(=O)CSC1=NN/C(=C2\C=c3ccccc3=CC2=O)N1CC,CID5447101,,,,,,,0.0,,,,,,,,,,
CCN1C(SCC(=O)N(C(C)C)C(C)C)=NN/C1=C1\C=c2ccccc2=CC1=O,CID5447109,,,,,,,,,,,0.0,,,,,,
COc1cc(OC)c(OC)cc1CN1CCc2ccccc2C1,CID750771,,,,,,0.0,,,,,,,,,,,
COc1ccc(CN2CCc3ccccc3C2)c(OC)c1OC,CID792364,,,,,,0.0,,,,0.0,,,,,,,
COc1cc2c(cc1OC)CN(Cc1ccc(OC)c(C)c1OC)CC2,CID1377320,,,0.0,,,,,0.0,,,,,,,,,
CCCNC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CCC(C)C2,CID2869275,,,,,,0.0,,,,,,,,,,,
O=C(Nc1cc2c(s1)CCCC2)c1ccccc1,CID2132971,,,,,,0.0,,,,,,,,,,,
CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)c1,CID2318750,,,,,,,,,,0.0,,,,,,,
CCn1c(SCC(=O)Nc2nccs2)nnc1-c1cc2cccc(OC)c2o1,CID647261,0.0,,0.0,0.0,0.0,,0.0,,0.0,0.0,0.0,,,0.0,,,0.0
COc1cccc2cc(-c3nnc(SCC(=O)Nc4nc(C)cs4)n3C)oc12,CID646389,0.0,0.0,,0.0,0.0,0.0,,,0.0,0.0,0.0,,,,,0.0,0.0
C=CCn1c(SCC(=O)Nc2nccs2)nnc1-c1cc2cccc(OC)c2o1,CID1299220,,0.0,0.0,,,,,,0.0,0.0,0.0,,,,,,0.0
CCCN1C(=O)C2(C(C#N)=C(N)C(C#N)(C#N)C3=CCC(C)CC32)c2ccccc21,CID647536,,,0.0,0.0,,,,,,,,,,,,,
CN1C(=O)C2(C(C#N)=C(N)C(C#N)(C#N)C3=CCC(C(C)(C)C)CC32)c2ccccc21,CID4128384,,,,,,,,,,0.0,,,,,,,
CN1C(=O)C2(C(C#N)=C(N)C(C#N)(C#N)C3=CCCCC32)c2ccccc21,CID655940,,0.0,,,,,,,,,,,,,,0.0,
COCCNc1nc(SCc2ccccc2)nc2sc3c(c12)CCC3,CID1973382,,,,,,,,,,0.0,,,,,,,
OCCNc1nc(SCc2ccccc2)nc2sc3c(c12)CCC3,CID4669152,,,,,,0.0,,,,,,,,,,,
CC(CO)Nc1nc(SCc2ccccc2)nc2sc3c(c12)CCC3,CID3495924,,,,,,0.0,,,,,,,,0.0,,,
CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nnnn2-c2ccccc2)c1C,CID982844,,0.0,,,,,,,,,,,,,,0.0,
COC(=O)c1c(C)[nH]c(C(=O)CSc2nnnn2-c2ccccc2)c1C,CID1186707,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nnnn2-c2ccc(C)cc2)c1C,CID2615575,0.0,0.0,0.0,0.0,,,,,,,0.0,,,,,0.0,0.0
Cc1cccc2c(CC(=O)Nc3ccccc3)noc12,CID1235414,,,,,,,,,,,,,,,0.0,,
Cc1cccc(NC(=O)Cc2noc3ccccc23)c1,CID1235346,,,,,,,,,0.0,,,0.0,,0.0,0.0,,
Cc1ccc(NC(=O)Cc2noc3ccccc23)cc1,CID850791,,,,,,,,,0.0,,,,,0.0,,,
COc1ccc(CNC(=O)COC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)cc1,CID2483580,,,,,,,,,,,,0.0,,,,,
CN(Cc1ccccc1)C(=O)COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12,CID2091344,,,,,,0.0,,,,,,,,,0.0,,
COc1ccc(CNC(=O)COC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1OC,CID2388112,,,,,,,,,,,0.0,,,,,,
CCC1=NN=C2CC(c3ccccc3)CC(NO)=C12,CID5759483,,,,,,0.0,0.0,0.0,,,,,,,,1.0,
CCCCC1=NN=C2CC(c3ccccc3)CC(NO)=C12,CID5742480,,,,,,0.0,0.0,,,,,,0.0,,,,
CC1=NN=C2CC(c3ccccc3)CC(NO)=C12,CID6056239,,,,,,0.0,,,,,,,,,,,
CC(C)C(=O)Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2,CID2124546,,,,,,,,,,,0.0,,,,,,
CC(C)(C)C(=O)Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2,CID2114469,,,,,,,,,0.0,,,,,,,,
CC(=O)NCCC(=O)Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2,CID2126542,,,,,,,,,,,0.0,,,,,,
COc1ccc(Cl)cc1S(=O)(=O)Nc1ccncc1,CID2897621,,,,,,,,,,,,,,0.0,,,
COc1cc(S(=O)(=O)Nc2ccncc2)ccc1F,CID934705,,,,,,,,,,,,,,,0.0,,
O=S(=O)(Nc1ccncc1)c1ccccc1,CID669138,,0.0,,,,,,0.0,0.0,0.0,,,,,,,
CC1(C)C(c2cccs2)=[N+]([O-])C2(CCCCC/C2=N\NC(N)=S)N1O,CID2875732,,,,,,0.0,,,0.0,,,0.0,,,,,
CC1(C)C(c2cccs2)=[N+]([O-])C2(CCCCC/C2=N\O)N1O,CID3245912,,,0.0,,,,,0.0,,,,,0.0,,,,
CC1(C)C(c2cccs2)=[N+]([O-])C2(CCCCC/C2=N\NC(N)=O)N1O,CID2875731,,,,,,,,,,0.0,,,,,,,
O=c1cc(CN2CCN(c3ccccc3O)CC2)nc2sccn12,CID2535899,,,,,,0.0,,,,,,,,,,,
COc1ccccc1N1CCN(Cc2cc(=O)n3ccsc3n2)CC1,CID2461965,,,,,,,,,,,0.0,,,,,,
O=c1cc(CN2CCN(c3ccc(F)cc3)CC2)nc2sccn12,CID2999196,,,,,0.0,,,,,,,,,,,0.0,
COc1ccc(-n2ncc3c(NCCCN4CCOCC4)ncnc32)cc1,CID1830536,,,,0.0,,,,,,,,,0.0,0.0,,0.0,
Cc1ccc(-n2ncc3c(NCCCN4CCOCC4)ncnc32)c(C)c1,CID1984311,,,0.0,0.0,,,,0.0,,0.0,,,0.0,0.0,,,0.0
c1ccc(-n2ncc3c(NCCCN4CCOCC4)ncnc32)cc1,CID661187,0.0,0.0,,0.0,,,,,,0.0,,,,,,,
CC(=O)Nc1ccc(C(=O)CSC2=NNC(=C3C=CC(=O)C=C3)N2CC2CCCO2)cc1,CID5770775,,,,,,,,0.0,0.0,,0.0,,,,,,
CCC(=O)Nc1ccc(C(=O)CSC2=NNC(=C3C=CC(=O)C=C3)N2CC2CCCO2)cc1,CID5770782,,,,,,,,,,,,,,,0.0,,
CCC(=O)Nc1ccc(C(=O)CSC2=NNC(=C3C=CC(=O)C=C3)N2CC2CCCO2)cc1OC,CID5770783,,,,,,,,,,,0.0,,,,,,
O=C(OC(C(=O)NCc1cccs1)c1ccccc1Cl)c1ccco1,CID646915,0.0,,,,0.0,,,,,0.0,0.0,,,,,,0.0
Cc1ccc(C(OC(=O)c2ccco2)C(=O)NCc2cccs2)cc1,CID652533,0.0,,,,0.0,,,,,,0.0,,,0.0,,,
O=C(OC(C(=O)NCc1cccs1)c1ccc(F)cc1)c1ccco1,CID648857,,,,,,,,0.0,,,,,,,,,0.0
Cc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1,CID2885897,,,,,,0.0,,,,,,,,,,,
O=C(NCc1ccccc1)C12CC3CC(CC(C3)C1)C2,CID3826889,,,,,,,,,,,,,,,0.0,,
NS(=O)(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1,CID3698987,,,,,,0.0,,,,,,,,,,,
CC(C)(C)c1ccc(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)cc1,CID2477746,,,,,,,,,,0.0,,,,,,,
O=C(NCCC(=O)N1CCN(c2ncccn2)CC1)c1ccccc1Cl,CID2513146,,,,,,,,,,,,,,0.0,,,
O=C(NCCC(=O)N1CCN(c2ncccn2)CC1)c1ccccc1,CID2532846,,0.0,0.0,0.0,,,,0.0,,,,,,,,,
CC(C)OC(=O)CSc1nnc(-c2cccnc2)n1Cc1ccccc1,CID653105,,0.0,,,,,0.0,0.0,,,,,0.0,,,0.0,0.0
O=C(O)CSc1nnc(-c2cccnc2)n1Cc1ccccc1,CID645584,,,,0.0,,0.0,0.0,,,,,,,,,0.0,
CCOC(=O)CSc1nnc(-c2cccnc2)n1Cc1ccccc1,CID1136197,,0.0,,0.0,,,,,,,0.0,,,,,,0.0
O=C1NCCCC1C(=O)NCCNC(=O)C(F)(F)F,CID2911644,,,,,,,0.0,,0.0,,,0.0,,,,,
CC(C)OC(=O)CCC1(C(=O)O)CCC(=O)NC1,CID654540,,0.0,,,,0.0,,,,,,,,,,,
CN(C)CCNC(=O)C1CCCNC1=O,CID3623770,,,,,,,,,,0.0,,,,,,,
COc1ccc(C(C(=O)NC(C)(C)C)N(C(=O)CNC(=O)c2cccs2)c2ccc(C)cc2)cc1OC,CID3215782,,,,,,0.0,,,,,,,,,,,
COc1cc(C(C(=O)NC(C)(C)C)N(C(=O)CNC(=O)c2cccs2)c2ccc(C(C)C)cc2)cc(OC)c1OC,CID3215941,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(C(=O)NC(C)(C)C)N(C(=O)CNC(=O)c2cccs2)c2ccc(NC(C)=O)cc2)cc1OC,CID3215776,,,,,,,,,,,,,,,0.0,,
CCOc1cc(C(=O)Nc2ccc(S(=O)(=O)NC3=NCCCCC3)cc2)cc(OCC)c1OCC,CID4536702,,,,,,,,,,,,,,,0.0,,
CN(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)NC3=NCCCCC3)cc2)cc1,CID2517496,,,,,0.0,,,,,,,,,,,0.0,0.0
COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2=NCCCCC2)cc1,CID2399310,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(NC(=O)CC2C(=O)N(c3cccc(OC)c3)C(=O)N2C2CCCCC2)cc1,CID3237984,,,,,0.0,0.0,,,0.0,,,,0.0,,,,
COc1cccc(N2C(=O)C(CC(=O)Nc3ccc(F)cc3)N(C3CCCCC3)C2=O)c1,CID2980438,,,0.0,,,,,,,,,,,,,,
COc1cccc(N2C(=O)C(CC(=O)Nc3ccccc3)N(C3CCCCC3)C2=O)c1,CID3238616,,,0.0,,0.0,0.0,,0.0,,,,0.0,,,,,0.0
Cc1csc(SCC(=O)Nc2nc(-c3ccccc3)cs2)n1,CID2968250,,,,0.0,0.0,,,,,,,,,,,,
Cc1ccc(-c2csc(NC(=O)CSc3nc(C)cs3)n2)cc1,CID1235813,,,,,,,,,0.0,,,,,,0.0,,
COc1ccc(-c2csc(NC(=O)CSc3nc(C)cs3)n2)cc1,CID1235810,,,,,,,,,0.0,,,,,,,,
CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1coc2ccccc2c1=O,CID2873955,,,,,,,,,0.0,,,,,,,,
COC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1coc2ccccc2c1=O,CID2873765,,,,,,,,,,,,,,,,0.0,0.0
CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1coc2ccccc2c1=O,CID3699557,,,,,,,,,,,,,0.0,,,,
CCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cccs2)cc1,CID2926028,,,,,,,,,,0.0,0.0,,,,,,
CC1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cccs2)cc1,CID2917457,,,,,0.0,,,,,0.0,0.0,,0.0,,0.0,,
CC1CCN(S(=O)(=O)c2ccc(NC(=O)c3cccs3)cc2)CC1,CID1010579,,0.0,0.0,,0.0,,0.0,,0.0,,0.0,,0.0,,0.0,,
O=C(NNC(=O)c1ccccc1-n1cccc1)c1cccc(Cl)c1,CID1481234,,,,,,,,,,,,,,,0.0,,
O=C(NNC(=O)c1ccccc1-n1cccc1)c1ccccc1,CID1481233,,,,,,0.0,,,,,,0.0,,,,,
O=C(NNC(=O)c1ccccc1-n1cccc1)c1ccc(Cl)cc1,CID1481241,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cn1,CID4801251,,,,,,0.0,,,,,,,,0.0,,,
O=C(Nc1cccnc1)c1cccc(S(=O)(=O)N2CCOCC2)c1,CID2297776,,,,,,,,0.0,,,,0.0,0.0,0.0,0.0,,
COc1ccc(C(=O)Nc2cccnc2)cc1S(=O)(=O)N1CCOCC1,CID1330364,,,,,,,,0.0,,,,0.0,,0.0,,0.0,0.0
CO/N=C(/CNC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1,CID4314832,,,,,,,,,,,,,,0.0,,,
CO/N=C(\CNC(=O)c1cccc(Cl)c1)c1ccc(Cl)cc1,CID4314830,,,,,,,,,,,,0.0,,,,,
CO/N=C(\CNC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1,CID4314829,,,,,,0.0,,,,,,,,,,,
Cc1ccc(OCC(=O)N2CCN(C(=O)CCC3CCCC3)CC2)cc1,CID651244,0.0,,,,,,0.0,,0.0,,,,,,,,
O=C(CCC1CCCC1)N1CCN(C(=O)COc2ccccc2)CC1,CID776686,0.0,,0.0,,,,0.0,,,,,,0.0,,,,0.0
Cc1cccc(OCC(=O)N2CCN(C(=O)CCC3CCCC3)CC2)c1,CID1072058,0.0,,,,,,0.0,0.0,0.0,,,,,,,,
Cc1c(C(=O)Nc2ccncc2)sc2nc(-c3ccc(F)cc3)cn12,CID5310045,,,,,,,0.0,0.0,,,,,0.0,,,,0.0
COc1ccc(-c2cn3c(C)c(C(=O)Nc4ccncc4)sc3n2)cc1,CID5310246,,0.0,,,,0.0,,,,,1.0,,,,,,
Cc1c(C(=O)Nc2ccncc2)sc2nc(-c3ccccc3)cn12,CID3679021,,,,0.0,,,,0.0,,,,,,,,,
c1ccc(-c2nn3nnnc3c3ccccc23)cc1,CID1268818,,0.0,,,,,0.0,,,,,0.0,,,,,
Cc1ccc(-c2nn3nnnc3c3ccccc23)cc1C,CID764729,,,,,,,,,,,,0.0,,,,,
Cc1ccc(-c2nn3nnnc3c3ccccc23)cc1,CID687487,,,,,,0.0,,,,,,,0.0,,,,
COc1cccc(Sc2cc(N3CCOCC3)nc(-c3ccccc3)n2)c1,CID1484727,,,,,,0.0,,,,,,,,,,,
Clc1ccc(Sc2cc(N3CCOCC3)nc(-c3ccccc3)n2)cc1,CID1484728,,,,,,,,,,,,0.0,,,0.0,,
Cc1ccc(Sc2cc(N3CCOCC3)nc(-c3ccccc3)n2)cc1,CID1484653,,,,,,0.0,,,,,,,,,,,
O=S(=O)(c1ccccc1)c1nc(-c2ccccc2)oc1N1CCCCC1,CID1180559,,,,,,0.0,,,,,,,,,,,
NC(=O)C1CCN(c2oc(-c3ccccc3F)nc2S(=O)(=O)c2ccc(Cl)cc2)CC1,CID1244756,0.0,,0.0,,0.0,,,,0.0,,,0.0,0.0,,,,
O=S(=O)(c1ccc(F)cc1)c1nc(-c2ccccc2F)oc1N1CCCCC1,CID1244750,,,,,,,,,,0.0,,,,0.0,,,
Cc1cc(Nc2cnc3ccccc3n2)n(-c2ccccc2)n1,CID2483887,,,,,,0.0,,,,,,0.0,,,,,
Cc1cc(Nc2nc3ccccc3nc2Cl)n(-c2ccccc2)n1,CID1872273,,,,,,0.0,,,,,,,,,,,
Cc1cc(Nc2nc3ccccc3nc2Cl)n(-c2ccc([N+](=O)[O-])cc2)n1,CID1914471,,,,,,,,,,,0.0,,,,0.0,,
CC(C)=CC1C(C(=O)Nc2ccc(Br)cn2)C1(C)C,CID2883391,0.0,,,,,,,,0.0,,0.0,,,,0.0,0.0,
CCCCC(=O)Nc1ccc(NC(=O)C2CC2)nc1,CID645739,,0.0,,0.0,,,,,,,,0.0,0.0,0.0,,,
O=C(Nc1ccc(Cl)cn1)C1CC1,CID686089,,,,,,,,,,,,,,0.0,,,
COc1ccc(Oc2nnc(C)c3ccccc23)cc1,CID2939344,,,,,,,,,0.0,0.0,,,,0.0,,,
Cc1nnc(Oc2ccccc2)c2ccccc12,CID657694,0.0,,0.0,,,0.0,,,0.0,0.0,,,,,0.0,0.0,
Cc1nnc(Oc2ccccc2F)c2ccccc12,CID2998081,,,0.0,,,,,,,,,,,,,,
Cc1c(Nc2ncnc3c2cnn3-c2ccccc2)c(=O)n(-c2ccccc2)n1C,CID1315303,,0.0,,,,,,,,,0.0,,,0.0,,,
Cc1ccc(-n2ncc3c(Nc4c(C)n(C)n(-c5ccccc5)c4=O)ncnc32)c(C)c1,CID3241388,,,,,,,,,,0.0,0.0,,,,0.0,,
Cc1cccc(-n2ncc3c(Nc4c(C)n(C)n(-c5ccccc5)c4=O)ncnc32)c1,CID3237572,,,,,,,,,,,,,,,0.0,,0.0
CCn1nnnc1SCC(=O)NCc1ccc2c(c1)OCO2,CID1452230,,,,,,,,,,,,0.0,,,,,
CC(C)n1nnnc1SCC(=O)NCc1ccc2c(c1)OCO2,CID1452351,,,,,,0.0,,,0.0,0.0,0.0,,,,,,
CCCn1nnnc1SCC(=O)NCc1ccc2c(c1)OCO2,CID648292,0.0,0.0,,0.0,,,,,0.0,,,0.0,,,,0.0,0.0
COc1ccc(CCN(C)CCC(=O)Nc2cc(C)ccc2C)cc1OC,CID1339666,,,,,,,,,,,,0.0,,,,,
COc1ccc(CCN(C)CCC(=O)Nc2c(C)cc(C)cc2C)cc1OC,CID1069133,,,,,,,,,,,,0.0,,,,,
COc1ccc(NC(=O)CC(NCCc2ccccc2)C(=O)O)c(OC)c1,CID3241558,,,,,0.0,,,0.0,,,,,,,,,
CCOC(=O)C(C(=O)NCc1cccc(OC)c1)c1ncc(C(F)(F)F)cc1Cl,CID3715060,,,,,,,,,,,,0.0,,,,,
COc1ccc(CNC(=O)C(OC(C)=O)c2ccccn2)cc1,CID652812,,,,,,,,0.0,,,,,0.0,,,,0.0
CC(=O)OC(C(=O)NCc1ccc(F)cc1)c1ccccn1,CID3230485,,,,,,0.0,,,,,,,,,,,
Cn1c(-c2ccc(F)cc2)cnc1NCc1ccc(C#N)cc1,CID654578,,,0.0,0.0,,0.0,,,,,,,,,,,
Cn1c(-c2ccc(F)cc2)cnc1NCc1ccc(F)cc1,CID1096489,,,,,,,,,,0.0,,,,,0.0,,
Cn1c(-c2ccc(F)cc2)cnc1NCc1ccccc1,CID645117,,,,0.0,,,,,,,,,,,,,0.0
Cc1cccc(NC(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2Cl)c1,CID992291,,,,,,0.0,,,,,,0.0,,,0.0,,
Cc1ccccc1NC(=O)c1cc(S(=O)(=O)c2ccccc2)ccc1Cl,CID992292,,,,,,,,,,,,,,,0.0,,
Cc1ccc(NC(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2Cl)cc1,CID992290,,,,,,,,,,,,,,,0.0,,
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCCN1CCOCC1,CID2852353,0.0,,,,,,,,,,,,,,,,
Cc1onc(-c2ccccc2Cl)c1C(=O)NCCN1CCOCC1,CID656333,,0.0,0.0,,,,0.0,,,,,,0.0,,0.0,0.0,
Cc1onc(-c2ccccc2)c1C(=O)NCCN1CCOCC1,CID700868,,,,,,,,,,,,,0.0,,,,
COc1cccc(-n2nnnc2SCC(=O)NC2CCCC2)c1,CID859382,,,,,,,,,,0.0,,,,,,,
COc1cc(OC)cc(-n2nnnc2SCC(=O)NC2CCCC2)c1,CID1175566,,,,,,,,,,,0.0,,,,,,
COc1ccccc1-n1nnnc1SCC(=O)NC1CCCC1,CID714083,,0.0,,0.0,0.0,,,,,0.0,,,,,0.0,,
CSc1ccc(/C=N/Nc2nc(=O)cc(C)[nH]2)cc1,CID3970453,,,,,,,,,,,,,,0.0,,,
CCN(CCC#N)c1ccc(/C=N/Nc2nc(=O)cc(C)[nH]2)c(C)c1,CID4317937,,,,,,,,,,,,,,0.0,,,
CCN(CC)c1ccc(/C=N/Nc2nc(=O)cc(C)[nH]2)cc1,CID263509,,,,,,0.0,,,,,,,,,,,
Cn1c(C(=O)NCCCn2ccnc2)cc2c(=O)n3ccccc3nc21,CID3241215,,0.0,,0.0,,,,,,,,,,,,,
Cc1ccc2nc3c(cc(C(=O)NCCCn4ccnc4)n3C)c(=O)n2c1,CID665924,,0.0,,0.0,,,0.0,,,,0.0,,,,,,
Cc1cccn2c(=O)c3cc(C(=O)NCCCn4ccnc4)n(C)c3nc12,CID3243418,,0.0,,,,,,0.0,,,,,,,,,
Cc1ccc(NC(=O)NC2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1,CID1433021,,,,,,,,,,0.0,,,,,,,
COc1ccc(S(=O)(=O)N2CCC(NC(=O)Nc3ccc(C)cc3)CC2)cc1,CID650341,,,,0.0,0.0,,,0.0,,,,,,,,,0.0
COC(=O)c1cccc(S(=O)(=O)N2CCC(NC(=O)Nc3cccc(F)c3)CC2)c1,CID647747,,,0.0,,,,,0.0,,,,,,,,,
Cc1nc2ccccn2c1C(=O)CSc1ccccc1Cl,CID1472568,,,,,,0.0,,,,,,,,,,,
Cc1ccc(SCC(=O)c2c(C)nc3ccccn23)cc1,CID1472561,,,,,,,,,,,,,,0.0,,,
Cc1nc2ccccn2c1C(=O)CSc1ccccc1,CID1472562,,,,,,,,,,,,,,,0.0,,
Cc1ccc(S(=O)(=O)N(C)CC(=O)O/N=C(\N)c2ccccn2)cc1,CID9587730,,,,,,,,,,,,0.0,,,,,
CN(CC(=O)O/N=C(\N)c1ccccn1)S(=O)(=O)c1ccccc1,CID9567370,,,,,,,,,,,,,,,0.0,,
CN(CC(=O)O/N=C(\N)c1ccccn1)S(=O)(=O)c1ccc(Br)cc1,CID9567452,,,,,,,,,,,,,,0.0,,,
Cc1ccc(-c2ccc(=O)n(CCC(=O)NCCN3CCCCC3C)n2)cc1,CID3235868,,,,,,,0.0,,,0.0,,,,,,,
CC1CCCC(C)N1CCNC(=O)CCn1nc(-c2ccccc2)ccc1=O,CID3236030,,,,,,0.0,,0.0,,,,,0.0,,,,0.0
CC1CCCCN1CCNC(=O)CCn1nc(-c2ccccc2)ccc1=O,CID3237431,,,0.0,,,,,,,,,,,,,,0.0
CCn1c2ccccc2c2cc(/C=N/NC(=O)c3cccc(C)c3)ccc21,CID1377553,,,,,,0.0,,,,,,,,,,,
CCn1c2ccccc2c2cc(/C=N/NC(=O)c3ccc(O)cc3)ccc21,CID1009992,,,,,,,,,,,,,,,0.0,,
CCn1c2ccccc2c2cc(/C=N/NC(=O)c3ccccc3)ccc21,CID707871,,,,,,,,,,,,0.0,,0.0,,,
Cc1ccc(C(=O)N2c3ccc(F)cc3CCC2C)o1,CID3246752,,,,,,,,0.0,,,,,,,,,
O=C(c1ccc(Br)o1)N1CCCc2ccccc21,CID762667,,,,,,,,,0.0,,0.0,0.0,,,,,
Cc1ccc2c(c1)CCCN2C(=O)c1ccco1,CID1246780,,,,,,,,,0.0,,0.0,,,,,,
CC1CCc2cc(F)ccc2N1C(=O)c1ccc2c(c1)OCO2,CID3246753,,,0.0,,,,,,,,,,0.0,0.0,,,
O=C(c1ccc2c(c1)OCO2)N1CCCc2ccccc21,CID648913,,,,,,0.0,,,0.0,,,,,0.0,0.0,,
Cc1ccc2c(c1)CCCN2C(=O)c1ccc2c(c1)OCO2,CID1245076,,,,,,,,0.0,0.0,,,,,0.0,,,
CC(Oc1cccc(Cl)c1)C(=O)Nc1cc(=O)n(C)c(=O)n1C,CID3246750,,0.0,,,,,,,0.0,,,,,,,0.0,
Cn1c(NC(=O)COc2ccccc2)cc(=O)n(C)c1=O,CID607301,,,,,,0.0,,,0.0,,,,,,,,
Cn1c(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc(=O)n(C)c1=O,CID2148508,,,,,,,0.0,,,0.0,,,,,,0.0,0.0
COc1ccc(CC(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)cc1OC,CID983672,,,,,,0.0,,,,,,0.0,,,,,
COc1ccc(CC(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)cc1OC,CID983665,,,,,,,,,,,,0.0,,,,,
COc1ccc(CC(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)cc1,CID983630,,,,,,,,,,,,0.0,,,,,
C=CCn1c(COc2ccc(F)cc2)nnc1SCC(=O)NC(=O)NCc1ccco1,CID2999235,0.0,,,,0.0,,,,,0.0,0.0,,,,,,
C=CCn1c(COc2ccccc2F)nnc1SCC(=O)NC(=O)NCc1ccco1,CID2998362,0.0,,0.0,,0.0,0.0,,,,,,,0.0,0.0,,,
C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)NC(=O)NCc1ccco1,CID2998225,,,,0.0,0.0,,,,,,0.0,,,,,,0.0
CCOc1ccc(CCNC(=O)CCn2cccc2)cc1OCC,CID3236371,,,,,0.0,0.0,,,,,,0.0,0.0,,,,0.0
CCC(Cc1ccccc1)NC(=O)CCn1cccc1,CID9550662,,,,,,,,,,0.0,,,,,,,
O=C(CCn1cccc1)NCCc1ccc(Cl)cc1,CID3236679,0.0,0.0,0.0,0.0,,,,,,0.0,,,,,0.0,0.0,0.0
CCN1CNC(=S)N(c2cc(C)ccc2C)C1,CID751656,,,,,,0.0,,,,,0.0,0.0,,,,,
CCN1CNC(=S)N(c2cccc(C)c2C)C1,CID751672,,,,,,,,,,,,0.0,,,,,
CCN1CNC(=S)N(c2ccccc2OC)C1,CID751650,,,,,,,,,,,,,,,0.0,,
O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)NCc1cccnc1,CID651521,0.0,0.0,,0.0,0.0,,,,,,,,,,,,0.0
Cc1cc(C)c(S(=O)(=O)N(CC(=O)NCc2cccnc2)C2CCCCC2)c(C)c1,CID646161,,,,,,,,0.0,,,0.0,,0.0,,,,
O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)NCc1cccnc1,CID1154648,0.0,0.0,,0.0,0.0,0.0,0.0,,0.0,,0.0,0.0,0.0,,,,0.0
COc1ccc(-c2cnc(SCC(=O)Nc3nc(C(C)(C)C)cs3)n2Cc2ccco2)cc1,CID1451092,,,,,,,,,,,0.0,,,,,,
O=C(CSc1ncc(-c2ccc(F)cc2)n1Cc1ccco1)Nc1nccs1,CID656147,,,,0.0,0.0,,,,,,0.0,,,,,,0.0
Cc1cnc(NC(=O)CSc2ncc(-c3ccccc3)n2Cc2ccco2)s1,CID650898,,,0.0,,0.0,,,,,0.0,0.0,,,,,,
Cn1c(=O)n(Cc2ccccc2F)c(=O)c2c1nc1n2CCCN1CCc1ccccc1,CID665389,0.0,,0.0,,,0.0,,,,,,,,,,,
COc1ccc(CCN2CCCn3c2nc2c3c(=O)n(Cc3ccccc3F)c(=O)n2C)cc1OC,CID666305,0.0,,0.0,,,0.0,,,,,,,,,,,
Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc1n2CCCN1CCc1ccccc1,CID4296681,,,,,,0.0,,,,,,0.0,,,,,
CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCc3nnc(-c4ccc(C)cc4)o3)n2CC)cc1,CID1168062,,,,,,,,,,,,0.0,,,,,
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3nnc(-c4ccccc4)o3)n2C)c1,CID2085240,,,,,,,,,,,,0.0,,,,,
COc1ccc(-c2nnc(SCc3nnc(-c4ccccc4)o3)n2C)cc1OC,CID647719,0.0,,0.0,,0.0,,,0.0,,,0.0,,0.0,,,,
COC1=CC(=O)/C(=C2\NNC(C)=C2c2cnn(-c3ccccc3)c2)C=C1,CID5407913,,0.0,,,,,,0.0,,,,,,,,,
COC1=CC(=O)/C(=C2\NNC=C2c2cnn(-c3ccccc3)c2)C=C1,CID5407898,,,,,,0.0,,,,,,,,,0.0,,
COC1=C(C)C(=O)/C(=C2\NNC(C)=C2c2cnn(-c3ccccc3)c2)C=C1,CID5505376,,,,,,0.0,,,,,,,,,,,
O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NC1CCN(Cc2ccccc2)CC1,CID653944,0.0,,,,,,,,,,,,,,0.0,,
Cc1ccc(-c2nnn(CC(=O)NC3CCN(Cc4ccccc4)CC3)n2)cc1,CID3153109,,,,,,,,,,0.0,0.0,,,,,,
CC(C)(C)NC(=O)CN(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)C1CCN(Cc2ccccc2)CC1,CID3178645,,,,,,,,,,0.0,,,,,,,
O=C(CSc1nnc(-c2cccc(Cl)c2)o1)Nc1ccc2c(c1)OCCO2,CID1235827,,,,,,,,,,,0.0,0.0,,,,,
COc1cc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)o2)cc(OC)c1OC,CID4444634,,,,,,,,,,0.0,0.0,0.0,,,,,
COc1ccc(-c2nnc(SC(C)C(=O)Nc3ccc4c(c3)OCCO4)o2)cc1,CID2999430,,,0.0,,0.0,,,,,,0.0,,0.0,,,,0.0
CCn1c(CSc2nc(C)cc(C)n2)nnc1SCC(=O)N1CCCc2ccccc21,CID654672,,,0.0,,,,0.0,,,,,,,,,,0.0
Cn1c(CSc2ncccn2)nnc1SCC(=O)N1CCCc2ccccc21,CID654993,,0.0,,0.0,,,,,,,,,,,0.0,0.0,0.0
Cc1cc(C)nc(SCc2nnc(SCC(=O)N3CCCc4ccccc43)n2C)n1,CID655316,,,,0.0,,0.0,,,,,,0.0,,,,0.0,0.0
COC(=O)Oc1ccc(/C=N/NC(=O)CSCc2ccccc2Br)cc1OC,CID987778,,,,,,,,,,,,,,,0.0,,
COc1cc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC,CID1381004,,,,,,,,,,,,,,0.0,,,
O=C(CSCc1ccccc1Br)N/N=C/c1ccccc1C(=O)O,CID1349684,,,,,,,,,,,,,,,0.0,,
COC(=O)C1=C(C)NC2=C(C(=O)CC(c3cccs3)C2)C1c1ccsc1,CID2894685,,,0.0,,,,0.0,,,0.0,,,,,,,
COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(c3cccs3)C2)C1c1ccsc1,CID644922,,,,,0.0,0.0,0.0,,,,,,,,,,
CCOCCOC(=O)C1=C(C)NC2=C(C(=O)CC(c3cccs3)C2)C1c1ccsc1,CID2917230,,,0.0,,,,0.0,,,,,,,,,,
Cc1ccc(CSc2nc(=O)c3c([nH]2)NC2=C(C(=O)CCC2)C3c2ccncc2)cc1,CID2956237,,0.0,,,,,,,,,,,0.0,,,,0.0
O=C1CCCC2=C1C(c1ccncc1)c1c([nH]c(SCc3ccccc3Cl)nc1=O)N2,CID2946457,,0.0,,0.0,0.0,,,,0.0,,0.0,,,,,,0.0
O=C1CCCC2=C1C(c1ccncc1)c1c([nH]c(SCc3ccccc3)nc1=O)N2,CID3239093,,,,,,0.0,,,,,0.0,,,,,,
CC1Cc2nc(SCC(=O)N3CCOCC3)n(-c3ccccc3)c(=O)c2S1,CID4176470,0.0,,,,0.0,,,,,,,,0.0,,,,0.0
O=C(CSc1nc2c(c(=O)n1-c1ccc(Cl)cc1)SCC2)N1CCOCC1,CID2052870,,,,,,,0.0,,,,,,,,,,0.0
O=C(CSc1nc2c(c(=O)n1-c1ccccc1)SCC2)N1CCOCC1,CID2155101,0.0,0.0,,,0.0,,0.0,,0.0,0.0,0.0,,0.0,,,,
O=C(CC1SC(N/N=C/c2ccccc2)=NC1=O)Nc1ccc(C(=O)O)cc1,CID9601192,,,,,,0.0,,,,,,,,,,,
C/C(=N\NC1=NC(=O)C(CC(=O)Nc2ccccc2C)S1)c1ccc(F)cc1,CID9586393,,,,,,0.0,,,,,,,,,,,
C/C(=N\NC1=NC(=O)C(CC(=O)Nc2cccc(C)c2C)S1)c1ccccc1,CID9586398,,,,,,0.0,,,,,,,,,,,
O=c1c2c(-c3ccccc3)csc2nc2n1CCC2,CID722503,,,,,,,,,,,,0.0,0.0,,0.0,,0.0
O=c1c2c(-c3ccc(Cl)cc3)csc2nc2n1CCC2,CID899011,,,,,,,,,,,,,,,0.0,,
O=c1c2c(-c3ccc([N+](=O)[O-])cc3)csc2nc2n1CCC2,CID754624,,,,,,,,,,,0.0,,,,,,
CCN1CCN(S(=O)(=O)c2cccc3nsnc23)CC1,CID1091549,,,,,,,,,0.0,0.0,0.0,,,,,,
CN1CCN(S(=O)(=O)c2ccc(Br)c3nsnc23)CC1,CID567237,,,,,,,,,0.0,,,,,,,,
CCOC(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1,CID3236286,,,,,,,,,,,,,,,0.0,,
Cc1nn2c(N3CCN(C4CCCC4)CC3)cc(C(C)(C)C)nc2c1-c1ccccc1,CID4671199,,,,,,,,,,,,,,0.0,,,
Cc1cc(N2CCN(C3CCCC3)CC2)n2ncc(-c3ccccc3)c2n1,CID665811,,,0.0,0.0,,,,,,,,,,,,,0.0
Cc1cc(N2CCN(C3CCCC3)CC2)n2nc(C)c(-c3ccccc3)c2n1,CID665813,,0.0,,,,,,,,,,,,,,,
S=C(Nc1ccccc1Cl)N1CCCCCC1,CID2329607,,,,,,,,,,,,,,0.0,,,
CC(=O)c1ccc(NC(=S)N2CCCCCC2)cc1,CID970855,,,,,,,,,,,,,,,0.0,,
S=C(Nc1ccccc1)N1CCCCCC1,CID770056,,,,,,0.0,,,,,,0.0,,,,,
Cc1ccccc1NC(=O)c1ccc(-n2cncn2)nc1,CID1478849,,,,,,,,,,,,0.0,,,,,
O=C(Nc1ccc(F)cc1F)c1ccc(-n2cncn2)nc1,CID1475775,,,,,,,,,,,,,,,0.0,,
O=C(Nc1c(F)cccc1F)c1ccc(-n2cncn2)nc1,CID5104671,,,,,,,,,,,,0.0,,,,,
CCN(CC)c1ccc(C2N(C(=O)N3CCOCC3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1,CID9550939,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCOCC3)C2c2ccc(N(C)C)cc2)cc1,CID3245341,,,,0.0,,,,0.0,,,,,,,,,
CN(C)c1ccc(C2N(C(=O)N3CCOCC3)CCN2S(=O)(=O)c2ccccc2)cc1,CID3245880,,,,0.0,,0.0,,0.0,,,,,,,,0.0,
COc1ccc2nc(NC(=O)C3CCCN3S(=O)(=O)c3ccc(C)cc3)sc2c1,CID2882759,,,0.0,,0.0,,0.0,,,,,,,,,0.0,
Cc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2nc3ccccc3s2)cc1,CID2929464,0.0,,,,0.0,,,,,0.0,,,,,0.0,,
O=C(Nc1nc2ccccc2s1)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1,CID2936947,,,,0.0,,,,,0.0,,,,,0.0,,0.0,
COc1ccc(S(=O)(=O)N2CCSC2)cc1C,CID1236387,,,,,,,,,,,,,,0.0,,,
CC(C)(C)c1ccc(S(=O)(=O)N2CCSC2)cc1,CID1236385,,,,,,,,,,,,,,,0.0,,
CC(=O)Nc1ccc(S(=O)(=O)N2CCSC2C(=O)O)cc1,CID3244921,,,,,0.0,,,,,,,,,,,,
COc1ccc(CN(C(=O)c2oc3ccccc3c2C)C2CCS(=O)(=O)C2)cc1,CID665857,,,,0.0,,,,,,,0.0,,,,,0.0,
CCOc1ccc(CN(C(=O)c2oc3cc(C)ccc3c2C)C2CCS(=O)(=O)C2)cc1,CID3738243,,,,,,0.0,,,,,0.0,,,,0.0,,
COc1ccc(CN(C(=O)c2oc3ccccc3c2C)C2CCS(=O)(=O)C2)cc1OC,CID2946166,,,,,0.0,,,,,0.0,0.0,,,,,0.0,
O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1ccccc1Cl,CID2243268,,,,,,,,,,0.0,,,,0.0,,,
COc1ccc(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)cc1,CID2304502,0.0,,,,,,0.0,0.0,0.0,,,,,,,,
O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1ccccc1,CID888971,,0.0,,,0.0,,,,,,,,0.0,,,,
O=S(=O)(c1ccccc1)N1CCN(S(=O)(=O)N2CCCCC2)CC1,CID1091474,,,,,,,,,0.0,0.0,0.0,,,,,,
Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCC3)CC2)cc1,CID1091475,,,0.0,,0.0,,,,0.0,0.0,0.0,,0.0,,,,0.0
Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCC3)CC2)c(C)c1,CID1302019,,,,,0.0,,,,0.0,,,,,,,,0.0
CN(C)c1nc(N2CCCCC2)nc(N2CCCCC2)n1,CID719062,,,0.0,,,,,,,,,,,,,,
OCC(O)/C=N/Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1,CID4334143,,,,,,,,,,,,,,0.0,,,
N#CN(CC(N)=O)c1nc(N2CCCCC2)nc(N2CCCCC2)n1,CID719057,,0.0,,,,,0.0,,,0.0,0.0,,0.0,,,,
Nc1ccccc1SCc1cn2cccnc2n1,CID693030,,,0.0,0.0,,,,,,,,,,,,,
Clc1ccc(SCc2cn3cccnc3n2)cc1,CID694267,,,,,,,,,,0.0,,,,,,,
Cc1ccc(SCc2cn3cccnc3n2)cc1,CID700158,,,,,,,,,,,,,,,0.0,,
N#Cc1nc(-c2ccco2)oc1N1CCN(c2cccc(Cl)c2)CC1,CID663864,0.0,,0.0,,,,0.0,,,,,,,,,,0.0
COc1ccc(N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1,CID663891,0.0,0.0,,0.0,,,,0.0,,,,,0.0,,,0.0,
N#Cc1nc(-c2ccco2)oc1N1CCN(c2ccccc2)CC1,CID664671,0.0,,,,,,,0.0,,,,,,0.0,,,
CCCCc1nc(SCC(=O)Nc2cc(C)on2)n[nH]1,CID2289365,,0.0,0.0,0.0,,0.0,0.0,,,,,0.0,,,,0.0,
CCc1nc(SCC(=O)Nc2cc(C)on2)n[nH]1,CID588704,,,,,,,,,,,,,0.0,,,,
Cc1cc(NC(=O)CSc2n[nH]c(CC(C)C)n2)no1,CID969776,,0.0,,0.0,,,,,,0.0,,0.0,,,,0.0,
Cc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)no1,CID1117963,,,,,,,,,,,0.0,,,,,,
COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccon1,CID1289870,,,,,,,,0.0,,,,,0.0,0.0,,,0.0
COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cc(C)on1,CID1258146,,0.0,,,,,,0.0,,,,,,,,,0.0
O=C(N1CCCCC1)C12CC3CC(CC(C3)C1)C2,CID584509,,,,,,,,,0.0,,,,,,,,
NC(=O)C1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1,CID649760,0.0,0.0,,,,,0.0,,,,,0.0,,,,,0.0
CCOC(=O)C1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1,CID585328,,,,,,0.0,,,,,,,,,,,
C=CCn1c2ccccc2c2nnc(SCN3C(=O)c4ccccc4C3=O)nc21,CID2876123,,,,,0.0,,,,,,,,0.0,,,,
CCn1c2ccccc2c2nnc(SCN3C(=O)c4ccccc4C3=O)nc21,CID2876179,,,,0.0,0.0,,,,,,0.0,,,,,,0.0
Cn1c2ccccc2c2nnc(SCN3C(=O)c4ccccc4C3=O)nc21,CID650897,,0.0,,0.0,0.0,,,0.0,,0.0,0.0,,,,,,
COc1ccccc1-n1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1cc(C)ccc1C,CID3238961,,,,,0.0,,,,,,,,,,,0.0,0.0
COc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccco3)n2-c2ccccc2OC)cc1,CID3235874,,,,,0.0,0.0,,,,,0.0,,,,,,0.0
COc1ccccc1-n1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1ccc(F)cc1,CID3243318,0.0,,,,,0.0,,,,,,,,,,,
Cc1ccccc1OCc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1,CID2381023,,,,,,0.0,,,,,,,,,0.0,,
CCc1ccccc1OCc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1,CID2380869,,,,,,,,,,,0.0,,,,0.0,,
O=S(=O)(c1ccc2nc(COc3ccc(Cl)cc3Cl)[nH]c2c1)N1CCOCC1,CID2323649,0.0,,,,,,0.0,,,,,,,,,,
O=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1cncc(Br)c1,CID3238969,0.0,,,,,,,,0.0,,,,,,,,0.0
O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1cccnc1,CID650941,0.0,0.0,,0.0,,,,,,,,0.0,,,,,
O=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1cncc(Br)c1,CID1295289,0.0,,,,,,0.0,,1.0,,,,,,,,0.0
COc1ccc(Cn2c(C3CC3)nc3ccc(NC(C)=O)cc3c2=O)cc1,CID648667,0.0,,,,,,,,0.0,,0.0,,0.0,,,,
CC(=O)Nc1ccc2nc(C3CC3)n(Cc3ccc(Cl)cc3)c(=O)c2c1,CID1456617,,,,,,,,,,,,,,0.0,,,
CCC(=O)Nc1ccc2nc(C3CC3)n(Cc3ccccc3)c(=O)c2c1,CID648444,0.0,0.0,0.0,,,,,,0.0,,0.0,,,,,,
Cn1c(=O)c2c(nc(NCc3cccnc3)n2Cc2ccc(Cl)cc2)n(C)c1=O,CID4273225,,,,,,,,,,0.0,,,,,,,
Cn1c(=O)c2c(nc(NCc3cccnc3)n2Cc2ccccc2Cl)n(C)c1=O,CID4010639,,,,,,,,,,,,,,,0.0,,
Cn1c(=O)c2c(nc(NCc3cccnc3)n2Cc2cccc(C(F)(F)F)c2)n(C)c1=O,CID2979411,0.0,,,,,,,,,,,,,,,,
COc1cc(/C=C2\SC(=S)N(Nc3ccccc3)C2=O)cc(OC)c1OC,CID1363961,,,,,,1.0,,,,,,,,,,,
CCOc1cc(/C=C2\SC(=S)N(Nc3ccccc3)C2=O)ccc1O,CID1363897,,,,,,0.0,,,,,,,,0.0,,,
CCOc1ccc(/C=C2\SC(=S)N(Nc3ccccc3)C2=O)cc1OC,CID1410264,,,,,,,,,,,,,,0.0,,,
O=Cc1cn(CC(=O)N2CCOCC2)c2ccccc12,CID819774,,,,,,,,,,0.0,,,,,,,
O=C(Cn1cc(/C=N/O)c2ccccc21)N1CCOCC1,CID662696,,0.0,0.0,,,,,,0.0,,,,0.0,,0.0,,
CCc1cccc2c(C#N)cn(CC(=O)N3CCOCC3)c12,CID900744,,,,,,,,0.0,,,,,,,,,
COc1ccc(/C=C/C(=O)N2CCC(CN3C(=O)c4cccc5cccc(c45)C3=O)CC2)cc1OC,CID5349573,,,,,,0.0,,,,,,,,,,,
O=C(/C=C/c1ccc(F)cc1)N1CCC(CN2C(=O)c3cccc4cccc(c34)C2=O)CC1,CID5349504,,,,,,0.0,,,,,,,,,,,
O=C(/C=C/c1ccccc1)N1CCC(CN2C(=O)c3cccc4cccc(c34)C2=O)CC1,CID5349563,,,,,,0.0,,,,,,,,,,,
CCOc1cccc2cc(C(=O)Nc3cc(C)on3)c(=O)oc12,CID1245020,,,0.0,,,,0.0,,,,,,0.0,,0.0,,
Cc1cc(NC(=O)c2cc3ccccc3oc2=O)no1,CID803170,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccon1)c1cc2ccccc2oc1=O,CID1244328,,,,,,,,,,0.0,,,,,,,
O=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)NCC1CCCO1,CID3243004,,0.0,,,,,,0.0,,,,,,,,,
Cc1ccc(-n2ncc3c(=O)n(CC(=O)NCC4CCCO4)cnc32)cc1,CID3244703,,0.0,,,,,,,,,,,,,,,
O=C(Cn1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O)NCC1CCCO1,CID3243611,0.0,0.0,0.0,0.0,,,0.0,,,,,,,,,,
N#CC(C(=O)OC1CCCCC1)c1nc2ccccc2nc1N1CCCCC1,CID662228,,,,,,,0.0,,,,,,0.0,,0.0,,
CC1CCN(c2nc3ccccc3nc2C(C#N)C(=O)OC2CCCCC2)CC1,CID663318,,0.0,0.0,,0.0,,,,,,,0.0,0.0,0.0,,,
CC1CCCN(c2nc3ccccc3nc2C(C#N)C(=O)OC2CCCCC2)C1,CID662746,,0.0,0.0,,0.0,1.0,,,,,,,,,,,
CCOC(=O)CSc1nnc(CNC(=O)c2ccc(OC)cc2)n1C1CCCCC1,CID3237440,0.0,,,,,0.0,,,,,,,0.0,,,,0.0
COc1ccc(C(=O)NCc2nnc(SC)n2C2CCCCC2)cc1,CID4048413,0.0,0.0,0.0,,0.0,,,0.0,,,,,,,,0.0,
CCOC(=O)C(C)Sc1nnc(CNC(=O)c2ccc(OC)cc2)n1C1CCCCC1,CID3244564,0.0,,,,0.0,0.0,,0.0,,,,,,,,0.0,
Cc1ccc(CN2C(=O)CCC2C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,CID3240795,,,,0.0,,,,0.0,,,0.0,0.0,,,,,
O=C(C1CCC(=O)N1Cc1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1,CID3237543,0.0,,,,,,,,,,,,,,,,
O=C(C1CCC(=O)N1Cc1ccccc1Cl)N1CCN(c2cccc(Cl)c2)CC1,CID3239657,,,,,,,,,,,,,0.0,,,,
C=CCOC(=O)C1=C(C)NC(SCC(=O)NC(=O)OCC)=C(C#N)C1c1cccnc1,CID660278,,,,,,,,,0.0,,,,0.0,,,,
CCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OCC)C1c1cccnc1,CID758229,,,,0.0,,,0.0,0.0,,,0.0,,,,,,
CC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)C1c1cccnc1,CID2862269,,,,,,,,0.0,,,,,,,,,
c1ccc(-c2cc3ccccc3nc2N2CCCC2)cc1,CID1486692,,,,,,,,,,,,,,,0.0,,
Cc1ccc(-c2cc3ccccc3nc2N2CCCC2)cc1,CID1486693,,,,,,,,,,,,,,,0.0,,
FC(F)(F)c1cccc(-c2cc3ccccc3nc2N2CCCC2)c1,CID3784173,,,,,,,,,,,,,,0.0,,,
CCCC12CN3CC(C)(CN(C1)C3c1ccc3c(c1)OCO3)C2=O,CID752749,,,,,,,,0.0,,0.0,,,,0.0,,,0.0
CC12CN3CC(C)(CN(C1)C3c1ccc3c(c1)OCO3)C2=O,CID847290,,0.0,,,,,,0.0,,0.0,0.0,,0.0,,,,0.0
CC(C)C12CN3CC(C(C)C)(CN(C1)C3c1ccc3c(c1)OCO3)C2=O,CID1084417,,,,,0.0,,,,,,,,,,,,
COc1cc(C2NC(=O)NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC,CID4150047,,,,,,,,,,,,,0.0,,,,
COc1cc(C2C3=C(CC(C)(C)CC3=O)N(C)C(=O)N2C)cc(OC)c1OC,CID2999468,,,,,,,0.0,,,,,,,,,,
COc1cc(C2NC(=O)N(C)C3=C2C(=O)CCC3)cc(OC)c1OC,CID2917468,,,0.0,,,0.0,,0.0,,,,,,,,0.0,
CCc1nnc(NC(=O)CCc2ccc(C)o2)s1,CID2146370,,,,,,,,,,0.0,,0.0,,,,,
CCc1ccc(CCC(=O)Nc2nnc(CC)s2)o1,CID941246,,0.0,,0.0,,,0.0,,,0.0,,,0.0,,,,0.0
CCc1ccc(CCC(=O)Nc2nnc(C)s2)o1,CID939448,0.0,,,0.0,,,,0.0,,0.0,0.0,0.0,0.0,,,0.0,0.0
COCCn1c(SCC(=O)N2CCCc3ccccc32)nc2cccnc21,CID652463,0.0,,,,,,,,0.0,,,,,,,0.0,
Cn1c(SCC(=O)N2CCCc3ccccc32)nc2cccnc21,CID3214186,,,,,,,,,,,0.0,,,,,,
CCn1c(SCC(=O)N2CCCc3ccccc32)nc2cccnc21,CID652911,0.0,,0.0,,,,,0.0,,,,,,0.0,,0.0,
O=C(Nc1scc(-c2cccs2)c1C(=O)O)c1cccs1,CID1914390,,,,,0.0,,,,0.0,,,,,0.0,0.0,,
CCOC(=O)c1c(NC(=O)c2cccs2)sc(CC)c1-c1cccs1,CID1251203,,,,,,,,,0.0,,,,,,,,
CCOC(=O)c1c(-c2ccc(C)s2)csc1NC(=O)c1cccs1,CID1529015,,,,,,,,,0.0,,,0.0,,0.0,0.0,,
CCOC(=O)N1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1,CID875137,,,,,,,,,,,,,,,0.0,,
CCOC(=O)N1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1,CID2687905,,,,,,,,,,,,,,,0.0,,
CCN1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1,CID898288,,,,,,,,,,,,,,,0.0,,
Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)C3c2ccncc2)cc1,CID655117,,0.0,,,,,,,,,,,0.0,,,0.0,0.0
Cc1nn(-c2ccccc2)c2c1C(c1ccncc1)C(C#N)=C(N)O2,CID2835016,,0.0,,,,,,,,,,,,,,0.0,
Cc1nn(-c2cccc(Cl)c2)c2c1C(c1ccncc1)C(C#N)=C(N)O2,CID658561,0.0,,,,,,0.0,,,,,,,,,,
COc1ccc(N2CCC(CNC(=O)Nc3ccc(OC)cc3OC)C2)cc1,CID3239961,0.0,,0.0,,,,,0.0,,,,0.0,0.0,,,,0.0
COc1ccc(N2CCC(CNC(=O)Nc3ccc(C)c(C)c3)C2)cc1,CID4226014,,,,0.0,,,0.0,,,,,,,,,,
CCOc1ccc(NC(=O)NCC2CCN(c3ccc(OC)cc3)C2)cc1,CID3687661,,,,,,0.0,,,,,,,,,,,
CCOc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)N3CCCC3)cc2c1,CID651744,0.0,,0.0,,0.0,,,,,,,,0.0,,,,0.0
CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(C)cc3)C(=O)N3CCCC3)cc2c1,CID646837,0.0,,,,0.0,,,,0.0,0.0,,,,,,,0.0
CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=O)N3CCCC3)cc2c1,CID651234,,,0.0,,,,,0.0,,,,0.0,0.0,,,,
Cc1ccc(C)c(-n2c(SCC(=O)Nc3nonc3C)nnc2-c2ccoc2C)c1,CID651746,0.0,,0.0,,0.0,,,0.0,,,,,0.0,,,0.0,0.0
Cc1cccc(-n2c(SCC(=O)Nc3nonc3C)nnc2-c2ccoc2C)c1,CID656133,0.0,0.0,,,0.0,,,0.0,,,0.0,,,,,,0.0
Cc1nonc1NC(=O)CSc1nnc(-c2ccoc2C)n1-c1cccc(Cl)c1,CID3214031,,,,,,,,,,,,0.0,,,,,
CCOc1ccc(NC(=O)C2CCN(C(=O)NCc3ccccc3)CC2)cc1,CID651743,0.0,0.0,,,,,,0.0,0.0,,,0.0,,,,,0.0
COc1ccc(NC(=O)C2CCN(C(=O)NCc3ccccc3)CC2)cc1,CID646670,0.0,0.0,,,,,,,0.0,,,0.0,,,,,
CCOc1ccccc1NC(=O)C1CCN(C(=O)NCc2ccccc2)CC1,CID3222770,,,,,,,,,0.0,,0.0,0.0,,,,,
O=C1S/C(=C\c2ccc(O)cc2)C(=O)N1c1ccc(O)cc1,CID1352115,,,,,,0.0,,,,,,,,,,,
Cc1cccc(N2C(=O)S/C(=C/c3ccc(N(C)C)cc3)C2=O)c1,CID1879037,,,,,,0.0,,,,,,,,,,,
COc1ccc(/C=C2\SC(=O)N(c3cccc(O)c3)C2=O)cc1,CID1352076,,,,,,0.0,,,,,,,,,,,
COc1cc(C2NC(=O)C(C#N)=C(S)N2c2ccc(C)cc2)ccc1OC(C)C,CID3158801,,,,,,,,,,,0.0,,,,,,
CCOc1ccc(C2NC(=O)C(C#N)=C(S)N2c2ccc(C)cc2)cc1OC,CID3158800,,,,,,,,,,,0.0,,,,,,
CCOc1ccc(C2NC(=O)C(C#N)=C(S)N2c2ccc(OC)cc2)cc1OC,CID3158809,,,,,,,,,,,0.0,,,,,,
Nc1c(-c2ccccc2)cnn1C1CCS(=O)(=O)C1,CID3809150,,,,,,,,,0.0,,,,,,,,
Nc1c(-c2ccc(Cl)cc2)cnn1C1CCS(=O)(=O)C1,CID3822883,,,,,,,,,,,,0.0,,,,,
COc1ccc(-c2cnn(C3CCS(=O)(=O)C3)c2N)cc1,CID3816220,,,,,,,,,,,,0.0,,,,,
Cn1c(-c2ccc(F)cc2)cnc1SCC(=O)NCc1ccco1,CID650436,,,,0.0,,,,,,,,,0.0,0.0,,,0.0
Cn1c(-c2ccccc2)cnc1SCC(=O)NCc1ccco1,CID894506,0.0,0.0,,0.0,0.0,,,,,,0.0,,0.0,,0.0,,
O=C(CSc1ncc(-c2ccc(F)cc2)[nH]1)NCc1ccco1,CID649091,,,,,0.0,,,,,,0.0,,,,,,
Nc1[nH]c(SCc2nc(-c3ccccc3)no2)nc(=O)c1-c1ccccc1,CID1294263,,,,,,0.0,,,,,,,,,,,
COc1ccc(-c2noc(CSc3nc(=O)c(-c4ccccc4)c(N)[nH]3)n2)cc1OC,CID2232218,,,0.0,,0.0,,,,,,,,,,,0.0,0.0
COc1ccc(-c2noc(CSc3nc(=O)c(-c4ccccc4)c(N)[nH]3)n2)cc1,CID2231290,,,,,0.0,,,,,,,,,,,,
Cc1[nH]nc2c1C1(CCN(C(=O)OCc3ccccc3)CC1)C(C#N)=C(N)O2,CID655937,,0.0,0.0,,,,,0.0,0.0,,,,,,,,
CCCc1[nH]nc2c1C1(CCN(C(=O)OCc3ccccc3)CC1)C(C#N)=C(N)O2,CID660693,,,,,,,,,0.0,,,,0.0,,,,0.0
CCc1[nH]nc2c1C1(CCN(C(=O)OCc3ccccc3)CC1)C(C#N)=C(N)O2,CID652558,,0.0,,,,,,,,,,,,,,0.0,0.0
Cc1ccc(N(CC(=O)Nc2ccc3c(c2)OCCO3)S(=O)(=O)c2c(C)n[nH]c2C)cc1,CID3239135,,,,,0.0,,,,0.0,,,,,,,0.0,
Cc1n[nH]c(C)c1S(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(C(C)C)cc1,CID5309847,,,,,,,,,,,,,0.0,,,0.0,
COc1ccc(N(CC(=O)Nc2ccc3c(c2)OCCO3)S(=O)(=O)c2c(C)nn(C)c2C)cc1,CID5307831,,,0.0,,,,,,,,,,,,,,
O=C(CSc1nnc(CNC(=O)c2c(F)cccc2Cl)o1)c1ccccc1,CID3243696,,,,,0.0,,,,,,,,,,,,0.0
O=C(CSc1nnc(CNC(=O)c2ccccc2F)o1)c1ccc(Cl)cc1,CID3240313,,0.0,,,0.0,,0.0,,,,,,,,,,0.0
O=C(CSc1nnc(CNC(=O)c2ccccc2F)o1)c1ccccc1,CID3240851,,,,,0.0,,0.0,,,0.0,0.0,,,,,,
CCCCSc1nc(=O)c(C2OC(=O)c3c2ccc(OC)c3OC)c(O)n1C,CID658883,,,,,,,,0.0,,,,,,,,,
CCSc1nc(=O)c(C2OC(=O)c3c2ccc(OC)c3OC)c(O)n1CC,CID663997,,,0.0,0.0,,,,0.0,,,,,0.0,,,0.0,
CCCCCCSc1nc(=O)c(C2OC(=O)c3c2ccc(OC)c3OC)c(O)n1CC,CID3824363,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC(=O)CSc2nnc(CN3CCOCC3)n2-c2ccccc2)cc1Cl,CID2213080,,,,0.0,0.0,,,,0.0,,0.0,0.0,,,,,
O=C(CSc1nnc(CN2CCOCC2)n1-c1ccc(Cl)cc1)Nc1cc(Cl)ccc1O,CID2235757,0.0,,,,0.0,,,,,,,,0.0,,,,
O=C(CSc1nnc(CN2CCOCC2)n1-c1ccccc1)Nc1ccc(Cl)cc1,CID1290567,0.0,0.0,,,0.0,,,,,,0.0,0.0,,,,0.0,0.0
CCCc1nc(N2CCCC2)c(C#N)c2c1CCCC2,CID658267,,,0.0,,,,0.0,,,,,,,,,,
CCc1nc(N2CCCC2)c(C#N)c2c1CCCC2,CID658689,,0.0,,,,,0.0,,,0.0,,,,,0.0,,
CC(C)c1nc(N2CCCC2)c(C#N)c2c1CCCC2,CID749168,,0.0,,,,,0.0,,,,,,,,,0.0,
Cc1ccc(CN2CCN(CC(=O)N3CCC4(CC3)OCCO4)C2=O)cc1,CID3235576,,,0.0,,,,,,,,,,,,,,
O=C(CN1CCN(Cc2ccc(Cl)cc2)C1=O)N1CCC2(CC1)OCCO2,CID3236743,,,0.0,,,,,,,,,,,,0.0,,
O=C(CN1CCN(Cc2cccc(Cl)c2)C1=O)N1CCC2(CC1)OCCO2,CID3241162,,,0.0,,,,,,,,,,,,,0.0,0.0
CCn1c(=O)cc(N2CCCCC2)[nH]c1=O,CID3235577,,0.0,,,,,,,0.0,,0.0,0.0,0.0,,,,
Cn1c(=O)cc(N2CCCCC2)[nH]c1=O,CID5310262,,,,,,,,,,,,0.0,,0.0,,,
Cn1c(N2CCCCC2)cc(=O)n(C)c1=O,CID1485652,,,,,,0.0,,,0.0,,,,,,,,
Cc1cc(NC(=S)N(CCCN2CCN(C)CC2)Cc2ccco2)ccc1Cl,CID4168223,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1ccc(NC(=S)N(CCCN2CCN(CC)CC2)Cc2ccco2)cc1,CID16193215,,,,,,,,,,,,,,0.0,,,
Cc1ccc(Cl)cc1NC(=S)N(CCCN1CCN(C)CC1)Cc1ccco1,CID3476779,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(OCc2ccc(C(=O)NCC3CCCO3)o2)cc1,CID2942285,,,,,,,0.0,0.0,,0.0,,,,,,,
COc1ccccc1OCc1ccc(C(=O)NCC2CCCO2)o1,CID2941185,,,,,,,,,,,,,,,0.0,,
O=C(NCC1CCCO1)c1ccc(COc2ccc(F)cc2)o1,CID2941349,,,,,,,0.0,0.0,,,,,,,,,
CCOc1cccc(C(=O)Nc2cc(NC(=O)c3cccc(OCC)c3)cc(C(=O)O)c2)c1,CID1364896,,,,,,0.0,,,,,,,,,,,
Cc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1,CID1365259,,,,,,0.0,,,,,,,,,,,
CCCOc1cccc(C(=O)Nc2cc(NC(=O)c3cccc(OCCC)c3)cc(C(=O)O)c2)c1,CID2885335,,,,,,0.0,,,,,,,,,,,
O=C(NCc1ccc(C(=O)O)cc1)OCc1ccccc1,CID1479997,,,,,,,,,,,,,,,0.0,,
O=C(O)CC(NC(=O)OCc1ccccc1)c1ccc(Br)cc1,CID2766035,,,,,,,,,0.0,,,,,,,,
O=C(O)CC(NC(=O)OCc1ccccc1)c1ccccc1,CID304273,,,0.0,,,,,,,,0.0,,0.0,,,0.0,0.0
CC1CC(C)CN(CCCNC(=O)C2CCN(S(=O)(=O)N3CCCCC3)CC2)C1,CID3236692,,,,0.0,,,,0.0,,,0.0,,,,,,
CC1CCN(CCCNC(=O)C2CCN(S(=O)(=O)N3CCCCC3)CC2)CC1,CID3243323,,,,,,0.0,,0.0,,,,,,,,,0.0
CCC1CCCCN1CCCNC(=O)C1CCN(S(=O)(=O)N2CCCCC2)CC1,CID3239879,,,,0.0,,,,,,,,,0.0,,,,
CC(C)CNC(=O)c1cc(-c2ccco2)on1,CID3236696,,,,0.0,,,,,,0.0,,,0.0,,,0.0,
CCCNC(=O)c1cc(-c2ccco2)on1,CID3240242,,,,0.0,,,0.0,0.0,,0.0,,,,,,,
CC(C)NC(=O)c1cc(-c2ccco2)on1,CID3235773,,0.0,0.0,,,,,,,0.0,,,0.0,,,,
CCOc1ccc(-c2nc(CSc3nnc(N)s3)cs2)cc1OC,CID2460529,,,,,,,,,0.0,,,,,,,,
CCOc1ccc(-c2nc(CSc3nncs3)cs2)cc1OC,CID2530096,,,,,0.0,,,,0.0,,,,,,0.0,,
CCOc1ccc(-c2nc(CSc3nnc(N)s3)cs2)cc1,CID2474505,,,,,,,,,,,,,,0.0,,,
COc1ccc(N2C(=O)CSC23C(=O)N2CCCc4cccc3c42)cc1,CID666776,,,0.0,,,,0.0,,,,,0.0,,0.0,,,
CC(C)c1ccc(N2C(=O)CSC23C(=O)N2CCCc4cccc3c42)cc1,CID4888770,,,,,,0.0,,,,,,,,,,,
O=C1CSC2(C(=O)N3CCCc4cccc2c43)N1c1cccc(C(F)(F)F)c1,CID4890719,,,,,,,,,,0.0,,,,,,,
O=C(O)CC1SC(N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)=NC1=O,CID2909442,,,,,,,,,0.0,,,,,,,,
Cc1ccc(-c2ccc(/C=N/NC3=NC(=O)C(CC(=O)O)S3)o2)c([N+](=O)[O-])c1,CID2908188,,,,,,,,,0.0,,,,,,,,
O=C(O)CC1SC(N/N=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)=NC1=O,CID2908833,,,,,,,,,0.0,,,0.0,,,,,
Cc1ccc(OCC(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)cc1,CID1094286,,0.0,,0.0,,,,0.0,0.0,0.0,,0.0,,,,,
Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)c1,CID5346178,,,,,,0.0,,,,,,,,,,,
Cc1ccc(OCC(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)c(C)c1,CID1371669,0.0,0.0,0.0,,0.0,,0.0,0.0,,,,,,,,,
Cc1[nH]c(N2CCN(Cc3ccccc3)CC2)nc(=O)c1C,CID667024,,,,,,,0.0,,,,,0.0,,,,,
CCc1c(C)[nH]c(N2CCN(Cc3ccccc3)CC2)nc1=O,CID934728,,,0.0,,,,,,,,,0.0,,,,,
Cc1cc(=O)nc(N2CCN(Cc3ccccc3)CC2)[nH]1,CID945079,,,,0.0,,,0.0,0.0,0.0,,,0.0,,,,,
O=C(Nc1ccccc1N1CCCCC1)c1cccs1,CID890979,0.0,0.0,,0.0,0.0,,,0.0,,0.0,,,0.0,,,,
O=C(Nc1cc(Cl)ccc1N1CCCCC1)c1cccs1,CID1489366,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)s1,CID2438704,,,,,,,,,,0.0,,,,0.0,,,
Cc1c(CCO)c(=O)n(-c2ccccc2)n1S(=O)(=O)c1ccc(Cl)cc1,CID1480745,,,,,,,,,0.0,0.0,,0.0,,,0.0,,
Cc1c(CCO)c(=O)n(-c2ccccc2)n1S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl,CID1480713,,,,,,,,,0.0,,,,,,,,
Cc1c(CCO)c(=O)n(-c2ccccc2)n1S(=O)(=O)c1ccc(F)cc1,CID1480711,,,,,,,,,,,0.0,0.0,,,,,
Cn1c(=O)c2ncn(CC(=O)NCCOc3ccccc3)c2n(C)c1=O,CID2208923,,,,,,,,0.0,,,,,,,,,
Cn1c(=O)c2ncn(CC(=O)NCCOc3ccc(C(C)(C)C)cc3)c2n(C)c1=O,CID2198093,,,,,,,,0.0,,,,,,,,,
Cc1ccc(OCCNC(=O)Cn2cnc3c(=O)n(C)c(=O)n(C)c32)cc1C,CID1814666,,,,,,,,,,,,,,0.0,,,
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)C1c1ccccn1,CID661871,,0.0,0.0,0.0,,,,,,,,,,,,0.0,0.0
CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)C1c1ccccn1,CID3821970,,,,,,0.0,,,,,,,,,,,
CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)C1c1ccccn1,CID661982,,,,,,0.0,0.0,0.0,0.0,,,0.0,0.0,,,,
CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)c2ccco2)cc1,CID1248271,0.0,0.0,,0.0,0.0,,0.0,,,0.0,0.0,,0.0,,,,
CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1,CID1266786,0.0,,,,,,0.0,,0.0,,0.0,,,,,0.0,0.0
O=C(Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)c1ccc(Br)o1,CID1189515,0.0,,,,,,,,0.0,,0.0,,,0.0,,0.0,0.0
CC(C)Nc1oc(Cc2cccc3ccccc23)nc1C#N,CID664309,0.0,,,,,0.0,0.0,,,,,0.0,,,,0.0,
CNc1oc(Cc2cccc3ccccc23)nc1C#N,CID664883,0.0,,0.0,,,0.0,0.0,,,,,0.0,,,,0.0,
C=CCNc1oc(Cc2cccc3ccccc23)nc1C#N,CID2144277,0.0,,,0.0,0.0,0.0,0.0,,,,,0.0,,,,0.0,
Cc1ccc(C(=O)Nc2ccc3c(c2)OCO3)o1,CID841629,,,,,,,,0.0,0.0,0.0,,,0.0,,,,
CC1(C)Oc2ccc(NC(=O)c3ccco3)cc2O1,CID723583,,,,,,,,,0.0,,0.0,,,,,,
O=C(Nc1ccc2c(c1)OCO2)c1ccc(Br)o1,CID667797,,,,,,,,,,,0.0,0.0,,,,,
CCOC(=O)c1[nH]c(C)c(CN(CCc2ccccc2)C(=O)CCC(=O)O)c1C,CID3239442,,0.0,,,,,,,0.0,0.0,,0.0,,,,,
CCOC(=O)c1[nH]c(C)c(CN(CCc2ccc(OC)c(OC)c2)C(=O)CCCC(=O)O)c1C,CID3240957,,,,,,,,,0.0,,,,,0.0,,,
CCOC(=O)c1[nH]c(C)c(CN(CCc2ccccc2)S(C)(=O)=O)c1C,CID1267765,,,0.0,,,0.0,0.0,,,0.0,,,,,,,
Cc1cc(NC(=O)c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)no1,CID654942,0.0,0.0,,,0.0,,,,,,,,,,,,
Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4cc(C)on4)c3n2)cc1,CID1094029,0.0,,,,0.0,,,,,,0.0,,,,,,
Cc1cc(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccccc4)nc23)no1,CID1249699,0.0,,,,0.0,,,,,,,,,,,,
COc1ccccc1CNC(=O)C1CCCN1S(=O)(=O)c1cccc2cccnc12,CID5308685,,0.0,,,,,,0.0,,,,,0.0,,,,0.0
O=C(NCc1ccccc1)C1CCCN1S(=O)(=O)c1cccc2cccnc12,CID5308188,,,,0.0,,,0.0,,,,,,,,,,
CC(NC(=O)C1CCCN1S(=O)(=O)c1cccc2cccnc12)c1ccccc1,CID9551516,,,,,,,,,,,,,,0.0,,,
O=C(ONC(=O)c1cccs1)c1cccc(Br)c1,CID5185293,,,,,,,,,,,,,,0.0,,,
O=C(NOC(=O)c1cc(Br)ccc1Cl)c1cccs1,CID4131002,,,,,,,,,0.0,,,,,,,,
O=C(NOC(=O)c1ccccc1Cl)c1cccs1,CID2348962,,,,,,,,,0.0,,,,,,,,
Cc1ccccc1NC(=O)N1CCCC1C(=O)NCc1cccs1,CID3230182,,,,,,,,,,,0.0,0.0,,,0.0,,
Cc1cccc(NC(=O)N2CCCC2C(=O)NCc2cccs2)c1,CID3230197,,,,,,,,,,,0.0,,,,,,
O=C(NCc1cccs1)C1CCCN1C(=O)Nc1ccccc1,CID649454,0.0,0.0,,0.0,0.0,,,,,,0.0,,,,,,
CCCc1cc(N2CCC(C(N)=O)CC2)nc(-c2ccccc2)n1,CID1448206,,,,,,,,,,,,,,,0.0,,
COCc1cc(N2CCCCC2)nc(-c2ccccc2)n1,CID1476667,,,,,,,,,,,,,,,0.0,,
Cc1cc(N2CCC(C(N)=O)CC2)nc(-c2ccccc2)n1,CID1448091,,,,,,,,,,,,,,,0.0,,
C/C(NCCCN1CCOCC1)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O,CID5389478,0.0,,,,,,,,,,,,,,,,
CC/C(NCCCN1CCOCC1)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O,CID5389544,,,,,,,0.0,,,0.0,,0.0,,,,,0.0
O=C1NC(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/NCCCN1CCOCC1,CID5389523,,,,0.0,,,0.0,,,,,,,,,,
COc1cc2c(cc1OC)CN(C(=S)Nc1ccccc1)CC2,CID785496,,,,,,0.0,,,,,,0.0,,,,,
O=[N+]([O-])c1cccc(NC(=S)N2CCc3ccccc3C2)c1,CID971640,,,,,,,,,,,,,,0.0,,,
COc1cc2c(cc1OC)CN(C(=S)Nc1ccccc1Cl)CC2,CID4968604,,,,,,,,,,,,,,,0.0,,
CCN1CCN(C(=O)C2CCC(CNS(=O)(=O)c3ccccc3)CC2)CC1,CID9550423,,,,,,,,,,0.0,,,,0.0,,,
CCOC(=O)N1CCN(C(=O)C2CCC(CNS(=O)(=O)c3ccc(Cl)cc3)CC2)CC1,CID3240434,,,,0.0,0.0,,,,,,,0.0,,,,0.0,
CCOC(=O)N1CCN(C(=O)C2CCC(CNS(=O)(=O)c3ccccc3)CC2)CC1,CID3245234,,,,,0.0,,,0.0,,,,,,,,0.0,
COc1ccc(CCn2c(N)c(C(=O)NCc3ccco3)c3nc4ccccc4nc32)cc1OC,CID659072,,,,,,0.0,,,,,,,,,,,0.0
Nc1c(C(=O)NCc2ccco2)c2nc3ccccc3nc2n1CCc1ccccc1F,CID2009147,,,,,,,,,,,,0.0,,,0.0,,
Nc1c(C(=O)NCc2ccco2)c2nc3ccccc3nc2n1CCc1ccc(F)cc1,CID2024889,,,,,,,,,,,,0.0,,,,,
Cn1c2c(c(=O)n(C)c1=O)C(NS(=O)(=O)c1ccccc1)(C(F)(F)F)C(=O)N2,CID3237093,0.0,,,,0.0,,,,,,,,,,,,
Cc1ccc(S(=O)(=O)NC2(C(F)(F)F)C(=O)Nc3c2c(=O)n(C)c(=O)n3C)cc1,CID2962084,,,,,0.0,,,,,,,0.0,,,,,
CC(=O)Nc1ccc(S(=O)(=O)NC2(C(F)(F)F)C(=O)Nc3c2c(=O)n(C)c(=O)n3C)cc1,CID2965059,,,,,,,,,,0.0,,,,,,,
Cc1cccc(-c2nc(CSCC(=O)NCCCN3CCOCC3)c(C)o2)c1,CID3244330,,,,,0.0,,0.0,0.0,,,,,,,,,
Cc1ccc(-c2nc(CSCC(=O)NCCCN3CCOCC3)c(C)o2)cc1,CID3237115,,,,0.0,0.0,,,,,,,,,,,,
Cc1oc(-c2ccc(Cl)cc2)nc1CSCC(=O)NCCCN1CCOCC1,CID3236658,0.0,,,0.0,0.0,,0.0,,,,,,,,,,0.0
CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1cccc(O)c1,CID1718638,,,,0.0,,,,,,,,,,,,,
CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1ccc(C(C)=O)cc1,CID3240599,,,,,0.0,,,,,0.0,0.0,,,,,,
C=CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccccc1C,CID3094681,,,,,,,,,,,0.0,,,,,,
Cc1cc([N+](=O)[O-])nn1CC(=O)NCc1cccs1,CID749096,,,,,,,,,,,,0.0,,,,,
O=C(Cn1ccc([N+](=O)[O-])n1)NCc1cccs1,CID1257372,,,,,,,,,,,,0.0,,,,,
Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)NCc1cccs1,CID1015792,,,,,,,,,,,,,,0.0,,,
Cc1csc(NC(=O)CSc2ncn(-c3ccccc3)n2)n1,CID972808,,,,,,0.0,,,0.0,0.0,,,,,,,
O=C(CSc1ncn(-c2ccccc2)n1)Nc1nccs1,CID977368,,,,,,,,,0.0,0.0,,,,,0.0,,
CCOC(=O)c1sc(NC(=O)CSc2ncn(-c3ccccc3)n2)nc1C,CID3236416,,0.0,0.0,,0.0,,,,0.0,,,,,,,,0.0
CCC1(C)CC(C(CC(=O)O)c2ccc(C)cc2)CCO1,CID2880282,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C(CC(=O)O)C2CCOC(C)(C)C2)cc1,CID3129813,,,,,,0.0,,,,0.0,,,,,,,
CC1(C)CC(C(CC(=O)O)c2ccccc2)CCO1,CID649009,,,,,,0.0,0.0,,,,,,,,,,
CC1CCCC(NC(=O)COC(=O)Cc2ccccc2)C1C,CID4387580,,,,,,0.0,,,,,,,,,,,
Cc1ccc(CC(=O)OCC(=O)NC2CCCC(C)C2C)cc1C,CID3304557,,,,,,,,,,0.0,,,,,0.0,,
COc1cc(CC(=O)OCC(=O)NC2CCCCC2)cc(OC)c1OC,CID2432762,,,,,,,,,,,,,,,0.0,,
Cc1ccc(S(=O)(=O)NC(=O)c2cccn2C)cc1,CID2318098,,,,,,0.0,,,,,,0.0,,0.0,,,
Cn1cccc1C(=O)NS(=O)(=O)c1ccccc1Cl,CID765404,0.0,,,,,,,,,0.0,,,,,,,0.0
O=C(NS(=O)(=O)c1ccccc1Cl)c1ccc[nH]1,CID656267,,0.0,,,,,,,,,,,,,,,
COc1ccc(-c2nc(CS(=O)CC(=O)NCc3cccnc3)c(C)o2)cc1OC,CID5309524,,,,,,0.0,,0.0,,,,,,,,,
CCc1ccc(-c2nc(CS(=O)CC(=O)NCc3cccnc3)c(C)o2)cc1,CID3244123,,,,0.0,,,,,,,,,,,,,0.0
COc1ccc(-c2nc(CS(=O)CC(=O)NCc3cccnc3)c(C)o2)cc1,CID5307949,0.0,,0.0,,,,,0.0,,,,,,,,0.0,
CC(C)(C)c1ccc(S(=O)(=O)N2CCCC2C(=O)NC2=NCCS2)cc1,CID3000159,,,,,0.0,0.0,,,0.0,0.0,0.0,,,,,,
COc1ccc(S(=O)(=O)N2CCCC2C(=O)NC2=NCCS2)cc1,CID2311309,,,,,,0.0,,,,,,0.0,,0.0,0.0,,
Cc1ccc(S(=O)(=O)N2CCCC2C(=O)NC2=NCCS2)cc1,CID2998256,,,0.0,,0.0,,,,0.0,0.0,,,,,,,
COc1ccccc1C1=Nn2c(nnc2C2CCCCC2)SC1,CID3000150,0.0,,,,0.0,,,,,,0.0,,0.0,,,,
COc1ccc(C2=Nn3c(nnc3C3CCCCC3)SC2)cc1OC,CID3523871,,,,,,0.0,,,,,,,,,,,
COc1ccc(OC)c(C2=Nn3c(nnc3C3CCCCC3)SC2)c1,CID662130,0.0,,,,0.0,,0.0,,,,,,,,,,
O=C1CC(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C(=O)N1CCc1ccccc1,CID3000157,0.0,,,0.0,0.0,,,,0.0,,,0.0,0.0,,,,
COc1ccc(CCN2C(=O)CC(N3CCN(S(=O)(=O)c4ccccc4)CC3)C2=O)cc1,CID2998582,,,,,0.0,,,,,,0.0,,,,,,0.0
Cc1ccc(S(=O)(=O)N2CCN(C3CC(=O)N(CCc4ccccc4)C3=O)CC2)cc1C,CID3968690,,,,,,,,,,,,0.0,,0.0,,,
CC1=C(C(=O)OC2CCCCC2)C(c2ccc(C)o2)C2=C(CC(C)(C)CC2=O)N1,CID654928,,,,,,,,0.0,,,,0.0,,,,,0.0
CC1=C(C(=O)OC2CCCCC2)C(c2ccc(C)o2)C2=C(CCCC2=O)N1,CID625400,,,,0.0,,,,,0.0,,,,,,,,
CC1=C(C(=O)OC2CCCCC2)C(c2ccco2)C2=C(CC(C)(C)CC2=O)N1,CID2882259,,,,,,0.0,,,0.0,,0.0,,,,,,
COc1ccc(OCC(=O)Nc2ncc3c(n2)CC(C)(C)CC3=O)cc1,CID667189,,,,,,,,,,,,,0.0,,,,0.0
CCc1ccc(OCC(=O)Nc2ncc3c(n2)CC(C)(C)CC3=O)cc1,CID663727,,,0.0,,0.0,,,,0.0,,,0.0,,,,,
O=C(COc1ccccc1)Nc1ncc2c(n1)CCCC2=O,CID938749,,0.0,0.0,0.0,,,,0.0,0.0,,,0.0,,,,,
CC(C)OCCCNC(=O)c1ccc2c(c1)ncn2C1CCCC1,CID5113632,,0.0,,,,,,,,,,,0.0,,,,0.0
CCCCNC(=O)c1ccc2c(c1)ncn2C1CCCC1,CID4294318,,,,,,,,,,,0.0,,,,,,
CCOCCCNC(=O)c1ccc2c(c1)ncn2C1CCCC1,CID3243264,0.0,,,,0.0,,0.0,,0.0,,0.0,,,,,,
COc1ccc(OCc2nnc3n2N=C(c2ccc(Br)cc2)CS3)cc1,CID1505166,,,,,,,0.0,,,,,,,,,0.0,0.0
COc1ccc(OCc2nnc3n2N=C(c2ccc(OC)cc2)CS3)cc1,CID1089006,0.0,,0.0,,0.0,,,,,0.0,,,0.0,,,,0.0
COc1ccc(OCc2nnc3n2N=C(c2ccc(C)cc2)CS3)cc1,CID3155810,0.0,,0.0,,0.0,0.0,,,,,,,,,,0.0,0.0
COc1ccc(CC(=O)NCc2ccccc2)cc1S(=O)(=O)N1CCOCC1,CID2083069,,,,,,,,,,,,,0.0,,,0.0,
COc1ccc(CNC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1,CID2093858,,,,,0.0,,0.0,,,0.0,0.0,,0.0,0.0,,,
COc1ccc(CC(=O)NCc2ccccc2Cl)cc1S(=O)(=O)N1CCOCC1,CID2085612,0.0,,0.0,0.0,,,,,0.0,,,0.0,,,0.0,,
CN(C)C(=O)C12CCC(C)(c3nc4ccccc4nc31)C2(C)C,CID664404,,,,,,,,0.0,,,,,,,,,
CC12CCC(C(N)=O)(c3nc4ccccc4nc31)C2(C)C,CID2947641,,,,,,,,,,,,,,,,,0.0
CC(C)(C)NC(=O)C12CCC(C)(c3nc4ccccc4nc31)C2(C)C,CID2960184,,,,,,,,,,,,,,,0.0,,
Cc1cccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4cccc5cccnc45)CC3)CC2C)c1,CID5309864,,0.0,,,,0.0,,,,,,,,,,,
O=C(C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1)N1CCN(c2ccccc2)CC1,CID5307315,0.0,,0.0,,,,0.0,,,,,,,,,0.0,
O=C(C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1)N1CCN(c2ccc(Cl)cc2)CC1,CID5308706,0.0,0.0,,,,,,,,,,,,,,0.0,
CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1nc(C)c(C)s1,CID647604,0.0,0.0,0.0,,,,0.0,,0.0,,,,,,,0.0,
CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1nccs1,CID2193029,0.0,,,,0.0,,,,0.0,,,,,,,,0.0
Cc1cnc(NC(=O)CSc2nnc(Cc3ccccc3)n2C)s1,CID2192280,0.0,0.0,0.0,,0.0,,0.0,,0.0,0.0,,,0.0,0.0,,,
Cc1nn(C(=O)c2nn(C)cc2[N+](=O)[O-])c(C)c1Cl,CID798363,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)n(C(=O)c2nn(C)c(C)c2[N+](=O)[O-])n1,CID844741,,,,,,,,,0.0,,,,,,,,
CCOC(=O)c1cc(C(=O)n2cc(Cl)cn2)nn1C,CID1231736,,,,,,,,,,,,,,,0.0,,
COc1cc(OC)cc(-c2nc(-c3cc4cc(C)ccc4nc3OC)no2)c1,CID665758,,0.0,0.0,,0.0,,,,0.0,,,0.0,,0.0,,,
CCOc1ccccc1-c1nc(-c2cc3ccccc3nc2OC)no1,CID665510,0.0,0.0,0.0,0.0,,,,0.0,0.0,,0.0,,0.0,0.0,,,
COc1nc2ccc(C)cc2cc1-c1noc(-c2ccccc2)n1,CID2023428,,,,,,0.0,,,,,,0.0,,,,,
COc1ccc(-n2c(SCC(=O)N3CCCCC3)nnc2-c2cccnc2)cc1,CID648378,0.0,,,,,,,,,,,0.0,,,,,
COc1ccc(-n2c(SCC(=O)N3CCCCC3C)nnc2-c2cccnc2)cc1,CID648400,0.0,,,,,,,0.0,,0.0,0.0,0.0,,,,,
COc1ccc(-n2c(SCC(=O)N3CCCC(C)C3)nnc2-c2cccnc2)cc1,CID646214,0.0,,,0.0,,,0.0,0.0,,,0.0,,0.0,,,0.0,
O=C(O)c1cc2c(cc1Br)OCCCO2,CID5045885,,,,,,,,,,,,,,0.0,,,
O=C(O)CCC(=O)c1ccc2c(c1)OCCCO2,CID2775652,,,,,,0.0,,0.0,,,,,0.0,,,0.0,
O=C(O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2,CID3717514,,,,,,,,,,,,,,,0.0,,
Oc1ccc2ccccc2c1CN1CCN(c2ccccc2)CC1,CID766778,,,,,,,,,,,,0.0,,,,,
Oc1ccc2ccccc2c1CN1CCN(c2ccccc2F)CC1,CID756833,,,,0.0,,,,0.0,,,0.0,,0.0,,,,
COc1ccccc1N1CCN(Cc2ccc(OC)c3ccccc23)CC1,CID1376272,,,,,,,,,,,,0.0,,,,,0.0
COc1ccc2nc(SCC(=O)NCc3ccccc3)[nH]c2c1,CID1075619,,,,,,0.0,,,,,,,,,,,
Cn1c(SCC(=O)NCc2ccc(F)cc2)nc2ccccc21,CID2997515,,0.0,,,,,,,,0.0,,,,,,,
Cn1c(SCC(=O)NCc2ccccc2)nc2ccccc21,CID660614,0.0,0.0,,0.0,0.0,,0.0,,,,0.0,0.0,,,,0.0,0.0
Cc1cc(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)no1,CID2490732,,,,,,,,,0.0,,,,,,,,
Cc1cc(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)no1,CID2563771,,,,,,,,,0.0,,,0.0,,,,,
Cc1cc(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)no1,CID2491919,,,,,,,,,0.0,,,,,,,,
O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)Nc1cc([N+](=O)[O-])ccc1O,CID5341874,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)cc1,CID2250280,,,,,,0.0,,,,,,,,,,,
COc1cccc(/C=C2\SC(=S)N(CCC(=O)Nc3cccc(OC)c3)C2=O)c1,CID1352287,,,,,,0.0,,,,,,,,,,,
O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1N1CCOCC1,CID701068,0.0,0.0,,,,,0.0,,,,,,,0.0,,,0.0
Cc1ccc2[nH]c(=O)c(N3CCOCC3)c(-c3ccccc3)c2c1,CID742145,,,,0.0,0.0,,,,,,,0.0,,,,,
O=c1[nH]c2ccc(Br)cc2c(-c2ccccc2)c1N1CCOCC1,CID1119296,0.0,,,,,,,,0.0,,,0.0,,,,0.0,0.0
COC(=O)c1nn(-c2ccccc2)c2nnc(Cc3ccc(C)cc3)c(=O)n12,CID980009,,,,,,,,,,,,,,,0.0,,
COC(=O)c1nn(-c2cccc(C)c2)c2nnc(Cc3ccccc3)c(=O)n12,CID980027,,,,,,,,,,,,,,0.0,0.0,,
COC(=O)c1nn(-c2ccc(C)cc2)c2nnc(Cc3ccccc3)c(=O)n12,CID980029,,,,,,,,,,,,,,,0.0,,
O=C(NCc1ccccn1)c1ccc(Br)s1,CID1247028,,,,,,,,,0.0,,,,,,,0.0,0.0
O=C(NCc1ccccn1)c1ccc(Cl)s1,CID750373,,,,,,,,,,0.0,,,,0.0,,,
O=C(NCc1ccccn1)c1cccs1,CID668938,,0.0,,0.0,0.0,,,,,,,,0.0,,0.0,,
COc1cccc(CSc2nnc(CSc3nc4nc(C)cc(C)n4n3)s2)c1,CID1818178,,,,,,,,,,,,0.0,,,,,
Cc1cc(C)n2nc(SCc3nnc(SCc4ccccc4C)s3)nc2n1,CID1018103,,,,,,,,,,,,0.0,,,,,
Cc1cc(C)n2nc(SCc3nnc(SCc4ccccc4)s3)nc2n1,CID1018100,,,,,,,,,,,,0.0,,,,,
Cc1cccc(CS(=O)(=O)Cc2ccc(C(=O)N3CCC4(CC3)OCCO4)o2)c1,CID3236421,,0.0,,,0.0,,0.0,,,0.0,0.0,,,,,0.0,
Cc1ccccc1CS(=O)(=O)Cc1ccc(C(=O)N2CCC3(CC2)OCCO3)o1,CID3240916,,,,,0.0,,,,,0.0,0.0,,,,,0.0,
Cc1ccc(CS(=O)(=O)Cc2ccc(C(=O)N3CCC4(CC3)OCCO4)o2)cc1,CID3241062,,,,,0.0,,,,,0.0,,,,,,0.0,
Cc1cccn2c(=O)c3cc(C(=O)N4CCc5ccccc54)n(C)c3nc12,CID3236425,,,,,,,,,,,,,0.0,,,,0.0
Cc1cccn2c(=O)c3cc(C(=O)N4c5ccccc5CC4C)n(C)c3nc12,CID3238526,0.0,0.0,,,,,,,,,,,,,,,0.0
CC1Cc2ccccc2N1C(=O)c1cc2c(=O)n3ccccc3nc2n1C,CID3236604,,,,0.0,0.0,0.0,,,,,,,0.0,,,,
CCN(CC)c1ncnnc1-c1ccccc1,CID6401387,,,,,,,,,,,,,,,0.0,,
CCOC(=O)CSc1ncc(-c2ccccc2)nn1,CID2963012,,,,,,,,,,0.0,,,,,,,
Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1,CID3878,,,,,,,,,,,,,,,,0.0,
N#CCCn1cc(C(CC(=O)c2ccc(Br)cc2)C(=O)O)c2ccccc21,CID5308016,0.0,,,,,,,,,,,0.0,,,,,
Cc1ccc(C(=O)CC(C(=O)O)c2cn(CCC#N)c3ccccc23)cc1,CID4660885,,,0.0,,,0.0,,,,,,,0.0,,,,
N#CCCn1cc(C(CC(=O)c2ccccc2)C(=O)O)c2ccccc21,CID2949692,,,,,,,,,,,,0.0,,0.0,,,
COc1ccccc1N1CCN(C(=O)C2c3ccccc3Oc3ccccc32)CC1,CID659991,0.0,,,,,,,,0.0,,,0.0,,,,,
CCOc1ccccc1N1CCN(C(=O)C2c3ccccc3Oc3ccccc32)CC1,CID4350979,,,,,,,,,,,,,,,0.0,,
O=C(C1c2ccccc2Oc2ccccc21)N1CCN(c2ccccc2)CC1,CID1220269,0.0,,,,,,,,0.0,0.0,,0.0,0.0,,,,
Cc1ccc(S(=O)(=O)NC(CC(=O)NC2CCCC2)c2ccco2)cc1,CID3237777,0.0,,0.0,,0.0,,,,,,,,0.0,,,,
COc1ccc(S(=O)(=O)NC(CC(=O)NC2CCCC2)c2ccco2)cc1,CID3235842,,,0.0,0.0,0.0,,,0.0,,,,,,,,,0.0
O=C(CC(NS(=O)(=O)c1ccc(Cl)cc1)c1ccco1)NC1CCCC1,CID3241361,0.0,,,,0.0,,,,,,0.0,,0.0,,,,
CC1CCN(C(C(=O)Nc2ccc3c(c2)OCO3)c2ccccc2)CC1,CID4997972,,,,,,0.0,0.0,0.0,,,,,,,,,
O=C(Nc1ccc2c(c1)OCO2)C(c1ccccc1)N1CCCCC1,CID4997638,,,,0.0,,0.0,,,,,,,,,,,
CC1CCCN(C(C(=O)Nc2ccc3c(c2)OCO3)c2ccccc2)C1,CID4997967,,,,,,,,0.0,,,,,,,,,
Cc1ccc(C(=O)Oc2csc(=S)n2C(=O)c2ccc(C)cc2)cc1,CID576784,,,,,,,,,,,0.0,,,,,,
O=C(Oc1csc(=S)n1C(=O)c1ccccc1)c1ccccc1,CID832854,,,,,,,,,0.0,,,,,0.0,,,
Cc1cccc(C(=O)Oc2csc(=S)n2C(=O)c2cccc(C)c2)c1,CID1124704,,,,,,,,,,0.0,0.0,,,0.0,,,
Clc1ccc(-c2noc(CCCc3ccccc3)n2)cc1,CID752282,,,,,,,,,,,0.0,,,,,,
Cc1ccc(-c2noc(CCCc3ccccc3)n2)cc1,CID885527,,,,,,0.0,,,,,,,,,0.0,,
COc1ccc(-c2noc(CCCc3ccccc3)n2)cc1OC,CID666111,0.0,,,,,,0.0,0.0,0.0,,,0.0,0.0,,0.0,,0.0
COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)/C(=C/c2ccc(OC)cc2)C1=O,CID2274117,,,,,,0.0,,,,,,,,,,,
COC(=O)C1=C(C)N(c2ccc(C)cc2)/C(=C\c2ccc(OCC(N)=O)cc2)C1=O,CID1736874,,,,,,0.0,,,,,,,,,,,
COC(=O)C1=C(C)N(c2ccc(F)cc2)/C(=C/c2ccc(O)cc2)C1=O,CID5345832,,,,,,,,,,,,,,0.0,,,
COc1cccc(CNC(=O)Cc2c(C(=O)O)[nH]c3ccccc23)c1,CID3395602,,,,,,,,,,,0.0,,,,,,
COc1ccc(OC)c(CNC(=O)Cc2c(C(=O)O)[nH]c3ccccc23)c1,CID3239355,,0.0,,,0.0,,,,,,,,,,,,
COc1ccc(CNC(=O)Cc2c(C(=O)O)[nH]c3ccccc23)cc1,CID5184997,,,,,,0.0,,,,,,,,,,,
O=C(NC(Cc1c[nH]c2ccccc12)C(=O)O)/C(=C/c1ccco1)NC(=O)c1ccccc1,CID5350494,,,,,,,,,,,,,,0.0,,,
Cc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NCCc2c[nH]c3ccccc23)o1,CID5292104,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C(=O)N/C(=C/c2ccco2)C(=O)NCCc2c[nH]c3ccccc23)cc1C,CID1802221,,,,,,0.0,,,,,,,,0.0,,,
CNC=C1C(=O)c2ccccc2C1=O,CID217208,,,,,,0.0,0.0,,,,,,,,,,
CN(C)C=C1C(=O)c2ccccc2C1=O,CID98825,,0.0,,,,,,0.0,,,,,,,,0.0,
CC(NCCCN(C)C)=C1C(=O)c2ccccc2C1=O,CID2260437,,,,,,,,,,,,0.0,,,,,
Cc1[nH]c2ccccc2c1SCCNC(=O)c1ccc(Br)o1,CID2156445,,,,,,,,,0.0,,,,,0.0,,,0.0
O=C(NCCSc1c[nH]c2ccccc12)c1ccc(Br)o1,CID2156379,0.0,,,,,,,,0.0,,0.0,,,0.0,,0.0,0.0
O=C(NCCSc1c[nH]c2ccccc12)c1ccco1,CID2156387,,,,0.0,0.0,,,,,,,,0.0,,,0.0,
Cn1c(SCC(=O)c2ccccc2)nnc1-c1cnccn1,CID655336,,0.0,,,0.0,,,0.0,,,,,0.0,,,,
Cn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1cnccn1,CID662748,,0.0,,,0.0,,0.0,,,,0.0,,,,,,
CCn1c(SCC(=O)c2ccccc2)nnc1-c1cnccn1,CID662791,,0.0,,,0.0,,,,,,,,0.0,,,,
O=C(O)CCCn1nc(-c2ccccc2)c2ccccc21,CID5307487,0.0,0.0,,,,,,0.0,,,,,,,,,
COC(=O)Cn1nc(-c2ccccc2)c2ccccc21,CID3243873,,,,,0.0,,,,0.0,,,,,,,,
c1ccc(-c2n[nH]c3ccccc23)cc1,CID300385,,0.0,,0.0,,,0.0,0.0,,,,,,,,0.0,
O=C(CSc1nnc(-c2ccccc2)o1)N1CCc2ccccc2C1,CID2905400,0.0,,0.0,,0.0,,,0.0,,,0.0,,,,,,
O=C(CSc1nnc(-c2ccccc2Br)o1)N1CCc2ccccc2C1,CID2531528,0.0,,,,,,,,0.0,,,,,,,,0.0
COc1ccc(-c2nnc(SCC(=O)N3CCc4ccccc4C3)o2)cc1,CID2579441,0.0,0.0,,,0.0,,,,,,,,0.0,,,0.0,0.0
CCOC(=O)CSc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3,CID3362642,,,,,,0.0,,,,,,,,,,,
OCCN(CCO)c1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3,CID659200,,,,,,,,0.0,,,,,,,,,0.0
COC(=O)CSc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3,CID1314305,,,,,,,,,,0.0,,0.0,,,,,
CCOC(=O)Cc1csc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)n1,CID1147646,,,,,,,,,,0.0,,,,,,,
CCOC(=O)Cc1csc(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)n1,CID1246872,0.0,0.0,0.0,,0.0,,,,0.0,0.0,,0.0,0.0,,,,
CCOC(=O)Cc1csc(NC(=O)c2c(-c3ccccc3)noc2C)n1,CID1164511,,,0.0,0.0,0.0,,,,,,0.0,,0.0,,,0.0,0.0
COc1ccccc1-c1cc(C(F)(F)F)nc(NCc2ccco2)n1,CID3241263,,,,,0.0,,,,,,,,,,,,
COc1cccc(-c2cc(C(F)(F)F)nc(NCc3ccco3)n2)c1,CID2989085,,,,,0.0,,,,,,,,,,,,
COc1ccc(-c2cc(C(F)(F)F)nc(NCc3ccco3)n2)cc1OC,CID3235893,,,,,0.0,,,,,,,,,,,,
CCNS(=O)(=O)c1ccc(CCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1,CID2230181,,,,,,0.0,,,,,,0.0,,,,,
CC(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1,CID1006992,,,,,,,,,,,,0.0,,0.0,,,
CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1,CID2205326,,,,,,,,,,,,0.0,,,,,
Cc1nc2ccc(-c3nc4ccccc4o3)cc2[nH]1,CID831984,,,,,,,,,,,,,,,0.0,,
Cc1nc2ccc(-c3nc4cc(N)ccc4o3)cc2[nH]1,CID3147263,,,,,,,,,,,,0.0,,,,,
Nc1ccc2oc(-c3ccc4nc[nH]c4c3)nc2c1,CID784160,,,,,,,,,,,,,,0.0,,,
Cc1ccc(-n2[nH]cc3c(=O)nc(SCC(=O)N4CCCc5ccccc54)nc2-3)cc1,CID2153108,0.0,,,,,,,0.0,,,0.0,,0.0,,,0.0,0.0
O=C(CSc1nc2n(-c3ccc(F)cc3)[nH]cc-2c(=O)n1)N1CCCc2ccccc21,CID2153174,,0.0,,,0.0,,,,,0.0,,,,,,,
O=C(CSc1nc2n(-c3ccc(Cl)cc3)[nH]cc-2c(=O)n1)N1CCCc2ccccc21,CID2153037,0.0,,,,0.0,,,,,,0.0,0.0,,,,,
CCn1c(CC(C)C)n[nH]c1=S,CID3242936,,,,,,,,,,,,,,,,,0.0
C=CCn1c(C(CCC(C)C)CC(C)(C)O)n[nH]c1=S,CID3143118,,,,,,,,,,,,,,0.0,,,
Cn1c(CCNC(=O)OC(C)(C)C)n[nH]c1=S,CID1448416,,,,,,,,,,,,,0.0,,,,
CN(C)c1ccc(C=C2C(=O)OC(C)(C(C)(C)C)OC2=O)cc1,CID706233,,,,,,0.0,,,,,,0.0,,,,,
CCCCC1(C)OC(=O)C(=Cc2ccc(N(CC)CC)cc2)C(=O)O1,CID2276112,,,,,,0.0,,,,,,,,,,,
CCCCC1(C)OC(=O)C(=Cc2ccc(N(C)C)cc2)C(=O)O1,CID1776011,,,,,,,,,,,,,,,0.0,,
COc1ccc(NC(=O)c2cccnc2N2CCCC2)cc1,CID2964244,,,,,,,,,,0.0,0.0,,,,,,
O=C(Nc1ccccc1)c1cccnc1N1CCCC1,CID2964241,,,,,,,,,,,0.0,,,,,,
O=C(Nc1cccc(C(F)(F)F)c1)c1cccnc1N1CCCC1,CID2964240,,,,,0.0,,,,,,,,,,,,0.0
CCOc1ccccc1Nc1nc2ccccc2n2cnnc12,CID5309716,,,,,,,,0.0,,,,,,,,,
COc1ccc(Nc2nc3ccccc3n3cnnc23)cc1,CID1249621,,,,,,,,,,0.0,,0.0,,,,,
c1ccc(Nc2nc3ccccc3n3cnnc23)cc1,CID1473320,,0.0,0.0,,,,,,,,,,0.0,,,,
CN(C)S(=O)(=O)c1ccc(-c2csc(-c3cccnc3)n2)cc1,CID756543,,,,,,,,,,,,,,,0.0,,
c1ccc(-c2csc(-c3cccnc3)n2)cc1,CID701015,,,,,,,,,,,,,,,0.0,,
O=C(O)Cc1sc(-c2cccnc2)nc1-c1ccc(Br)cc1,CID2363696,,,,,,,,,,,,,,,0.0,,
CCc1[nH]c(=O)c(C#N)c2c1COC(C)(C)C2,CID910892,,,,,,,,,,0.0,,,,,0.0,,
CC(C)c1[nH]c(=O)c(C#N)c2c1COC(C)(C)C2,CID1827977,,,,,,,,,,0.0,,,,,,,
CCCc1[nH]c(=O)c(C#N)c2c1COC(C)(C)C2,CID1878963,,,,,,,,,,0.0,,,,,,,
CCN(CC)CCNC(=O)CSc1c2c(nc3cc(Cl)ccc13)CCCC2,CID16194136,,,,,,,,,,,,,,0.0,,,
CCOC(=O)CNC(=O)c1c2c(nc3ccccc13)CCCC2,CID2920016,,,0.0,,,,,,,,,,0.0,,,,
OCCNc1c2c(nc3ccccc13)CCCC2,CID661266,,,,0.0,,,0.0,,,0.0,,,,,,,
O=c1c2ccccc2nc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1,CID694476,,,,,,,,,,,,,,,0.0,,
COc1ccc(-n2c(-c3ccccc3F)nc3ccccc3c2=O)cc1,CID722885,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(O)cc2)cc1,CID717894,,,,,,,,,,,,,,0.0,,,
CCC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1,CID3240162,,,0.0,,,,,,,0.0,0.0,,,,0.0,,0.0
CC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1,CID3244243,,,,,0.0,,,,,,,,,,,,0.0
CC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4cccs4)o3)cc2)C1,CID3242189,,,,,,0.0,,,,,,,,,,,
CC1(CC(=O)O)SC(=O)NC1=O,CID3240161,,,,,,,,,,,,,0.0,,,,
COC(=O)CC1SC(=O)NC1=O,CID661346,,,,0.0,,,,,,,,,,,,,
CC(C(=O)O)C1SC(=O)NC1=O,CID3240516,,,,,,,,,,,,,,,0.0,,
CCc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCC2CCCO2)o1,CID3242728,,,,,,,,,,,,,,,,0.0,
O=C(NCC1CCCO1)c1ccc(CS(=O)(=O)c2c(Cl)cccc2Cl)o1,CID9550200,,,,,,,,,,0.0,,,,,,,
O=C(NCC1CCCO1)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1,CID5308936,,,,,,,,,,,,,,,,0.0,
Cc1ccc(NC(=O)CCc2nnc(SCC(=O)Nc3ccccc3C)n2C)cc1Cl,CID2231744,,,,,,,,,,,,0.0,,,,,
COc1ccc(NC(=O)CSc2nnc(CCC(=O)Nc3ccc(C)c(Cl)c3)n2C)cc1,CID2232111,,,,,,,,,,,,,,,0.0,,
C=CCn1c(CCC(=O)Nc2ccc(C)c(Cl)c2)nnc1SCC(=O)Nc1ccccc1C,CID1255032,,,,,,,,,,,,0.0,,,,,
Cc1ccc(-n2nnnc2SCc2nnc(-c3ccccc3Br)o2)c(C)c1,CID2485525,,,,,,,,,,,0.0,,,,,,0.0
Cc1ccc(-n2nnnc2SCc2nnc(-c3ccccc3Br)o2)cc1,CID2615763,,,,,,,,,,,0.0,,,,,,0.0
Brc1ccccc1-c1nnc(CSc2nnnn2-c2ccccc2)o1,CID2621181,,,,,,,,,,,,,,,,,0.0
O=C(Cc1ccc(-n2c(=O)[nH]c3ccccc3c2=O)cc1)N1CCN(c2ccccc2)CC1,CID3242496,0.0,,,,,,,0.0,0.0,,0.0,,,,,,0.0
COc1ccc(N2CCN(C(=O)Cc3ccc(-n4c(=O)[nH]c5ccccc5c4=O)cc3)CC2)cc1,CID3236420,0.0,,,,,,,,0.0,0.0,,0.0,,,,,0.0
O=C(Cc1ccc(-n2c(=O)[nH]c3ccccc3c2=O)cc1)N1CCN(c2cccc(Cl)c2)CC1,CID4113801,,,,,,0.0,,,,,,,,,,,
Cc1c(N(C)C(=O)C2CCCN2S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C,CID2974892,,0.0,,,0.0,,0.0,0.0,,,,,0.0,,,0.0,0.0
Cc1c(NC(=O)C2CCCN2S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C,CID2882273,,,,,,,,,,,,,,,,0.0,0.0
Cc1c(NC(=O)C2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C,CID2999578,0.0,,,,0.0,0.0,,,0.0,,0.0,0.0,,,,,0.0
Cc1cc2nc(NC3=NCN(CCCN4CCOCC4)CN3)nc(C)c2cc1C,CID665213,,0.0,,,,,0.0,,,,,,,,,0.0,
Cc1nc(NC2=NCN(CCCN3CCOCC3)CN2)nc2c(C)cccc12,CID666009,,,,,,,,,,,0.0,,,,,0.0,
CCc1ccc2nc(NC3=NCN(CCCN4CCOCC4)CN3)nc(C)c2c1,CID665074,,0.0,,,,,,,,,0.0,,,,,0.0,
COC(=O)c1sccc1NC(=O)c1ccc(Br)o1,CID2167035,0.0,,,,,,,,0.0,,,,,0.0,,0.0,0.0
COC(=O)c1sccc1NC(=O)c1ccc(C)o1,CID898058,,,,,,,,,0.0,,,,,0.0,,,
COC(=O)c1sccc1NC(=O)c1ccco1,CID897017,,,,0.0,0.0,,,,0.0,,,,,,,,
O=S(=O)(c1ccccc1Cl)N1CCC(O)(c2ccc3c(c2)OCO3)CC1,CID653706,0.0,,0.0,,,,,,,0.0,,,,,,,
O=S(=O)(c1ccc(F)cc1)N1CCC(O)(c2ccc3c(c2)OCO3)CC1,CID652940,,,0.0,,,0.0,,,,,,0.0,,,,,
COc1ccc(S(=O)(=O)N2CCC(O)(c3ccc4c(c3)OCO4)CC2)cc1,CID645175,,,,,,,,0.0,,0.0,,,,,,0.0,
O=c1c2cnn(-c3ccccc3Cl)c2ncn1Cc1cccnc1,CID649245,0.0,0.0,,,,,0.0,,,,,,,,,,
O=c1c2cnn(-c3ccccc3)c2ncn1Cc1cccnc1,CID3155626,,0.0,,,,0.0,0.0,0.0,,,,0.0,,0.0,,,
Cc1ccc(-n2ncc3c(=O)n(Cc4cccnc4)cnc32)cc1,CID654867,0.0,,0.0,0.0,,,,,,,0.0,0.0,,,,,
Cc1cnc(NC(=O)CN2C(=O)C3CC=CCC3C2=O)s1,CID2998028,,,,,,,,0.0,,,,,,,0.0,,0.0
O=C(CN1C(=O)C2CC=CCC2C1=O)Nc1nccs1,CID2999923,,0.0,,,,,0.0,,,0.0,,,,,,,
Cc1cnc(NC(=O)C(C)N2C(=O)C3CC=CCC3C2=O)s1,CID2999251,,,0.0,,,,,,,0.0,,,,,,,
Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)o1,CID4092728,,,0.0,0.0,,,0.0,0.0,,,,,,,,,
COc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCN(C4CCCCC4)CC3)o2)cc1,CID3593871,,,,,0.0,,,,,,,,,,,,
O=C(c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1)N1CCN(C2CCCCC2)CC1,CID3593661,0.0,,,,,,,,,,,,,,,0.0,
Clc1nc(Cl)nc(NCCC2=CCCCC2)n1,CID3144705,,,,,,,,,,,,,,0.0,,,
CCOc1nc(NCCO)nc(NCCC2=CCCCC2)n1,CID3146025,,,,,,,,,,,,,,,0.0,,
COc1nc(NCCC2=CCCCC2)nc(OC)n1,CID718720,,0.0,,,,,,,0.0,,,0.0,0.0,0.0,,,
Cc1nc2ncnn2c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1C,CID654056,,,,,,,,,,,,0.0,,,,,0.0
Cc1cc(N2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)n2ncnc2n1,CID4889411,,,,,,,,,,,,,0.0,,,,
Cc1cc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)n2ncnc2n1,CID666031,,,,,,,,,,,,,,,,,0.0
CCN(CCN(C)C)C(=O)Cn1ncc2c1-c1cc(C)ccc1OC2,CID5307600,,,,,,,,0.0,,,0.0,,,,,,
CCN(CC)C(=O)Cn1ncc2c1-c1ccccc1OC2,CID5307988,,,,,,,,,,,0.0,0.0,,,,,
Cc1ccc2c(c1)-c1c(cnn1CC(=O)O)CO2,CID3237542,,,,,,,,,,,,,,,,0.0,
CCC1CCCCN1C1=N/C(=C2\C=CC=C(OC)C2=O)Nc2ccccc21,CID5389702,,0.0,,,,,0.0,0.0,,,,,,,,,
COC1=CC=C/C(=C2\N=C(N3CCCCC3C)c3ccccc3N2)C1=O,CID5389372,,,0.0,,,0.0,,,,,,,,,,,
CC1CCN(C2=N/C(=C3\C=CC=CC3=O)Nc3ccccc32)CC1,CID5348361,,,,,,0.0,,,,,,,,,,,
CC(C)c1ccc(NC(=S)NNC(=O)c2cccs2)cc1,CID2028871,,,,,,,,,,,,,,,0.0,,
O=C(NNC(=S)Nc1ccc(Cl)cc1)c1cccs1,CID848929,,,,,,,,,,,,,,,0.0,,
COc1ccc(Cl)cc1NC(=S)NNC(=O)c1cccs1,CID972287,,,,,,,,,,,,,,0.0,,,
CCCOc1ccccc1N/C(=N\S(=O)(=O)c1ccc(C)cc1)Nc1nc(C)cc(C)n1,CID6506837,,,,,,0.0,,,,,,,,,,,
Cc1ccc(N/C(=N\S(=O)(=O)c2ccccc2)Nc2nc(C)cc(C)n2)cc1,CID5833639,,,,,,0.0,,,,,,,,,,,
COc1cccc(N/C(=N\S(=O)(=O)c2ccc(C)cc2)Nc2nc(C)cc(C)n2)c1,CID6036208,,,,,,0.0,,,,,,,,,,,
CCC(=O)Nc1ccc(NC(=S)NC(=O)c2oc3ccccc3c2C)cc1,CID1342718,,,,,,,,,,,,,,0.0,,,
CC(=O)Nc1ccc(NC(=S)NC(=O)c2cc3ccccc3o2)cc1,CID2901510,,,,,,,,,,,,,,0.0,,,
CCC(=O)Nc1cccc(NC(=S)NC(=O)c2cc3ccccc3o2)c1,CID1340468,,,,,,,,,,,,,,0.0,,,
CCOC(=O)NC1(C(F)(F)F)NC(=O)N(C2CCCCC2)C1=O,CID2962152,,,,0.0,,,,,0.0,,,,,,,,
CC(=O)NC1(C(F)(F)F)NC(=O)N(C2CCCCC2)C1=O,CID3692535,,,,,,,,,0.0,,,,,,,,
COC(=O)NC1(C(F)(F)F)NC(=O)N(C2CCCCC2)C1=O,CID2965077,,,,0.0,,,,,0.0,,,,,,,,0.0
CCOc1cc(C)c(S(=O)(=O)Nc2ccc3cn[nH]c3c2)cc1C,CID2237144,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)cc1,CID2517521,,,,,,,,,0.0,,,,,,,,
COC(=O)c1ccccc1S(=O)(=O)Nc1ccc2cn[nH]c2c1,CID2091316,,0.0,,1.0,,,0.0,,0.0,,,,,,,0.0,
CCc1ccc2[nH]c(=O)c(CN(Cc3nnnn3C3CCCC3)C3CCCCC3)cc2c1,CID645842,0.0,,0.0,,,,,,,,,,,,,,
Cc1ccc2cc(CN(Cc3nnnn3C3CCCC3)C3CCCCC3)c(=O)[nH]c2c1C,CID647619,,,,,,,,,,,,,0.0,,,,0.0
Cc1cc(C)c2[nH]c(=O)c(CN(Cc3nnnn3C3CCCC3)C3CCCCC3)cc2c1,CID647332,,,,,,,,,,,,,,,,0.0,
CCOC(=O)c1cccc(NC(=O)CCS(=O)(=O)c2ccc(Br)s2)c1,CID9551112,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1cccc(NC(=O)CCS(=O)(=O)c2cccs2)c1,CID3241004,,,,,0.0,,,,,,,,0.0,,,,
COc1cccc(NC(=O)CCS(=O)(=O)c2cccs2)c1,CID3242326,,,,,0.0,,,,,,,,,,,,
CCOC(=O)C1=C(C)N=c2s/c(=C\c3sccc3C)c(=O)n2C1c1cccs1,CID5346336,,,,,,0.0,,,,,,,,,,,
COCCOC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2C1c1cccs1,CID4679587,,,,,0.0,,,,,,,,,0.0,,,
COC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2C1c1cccs1,CID3114697,,,,,0.0,,,,0.0,0.0,,,,,,,
CC1CCC2(CC1)NC(=O)N(CC(=O)c1ccc[nH]1)C2=O,CID4876371,,,,,,,,,,,0.0,,,,,,
CC1CCC2(CC1)NC(=O)N(CC(=O)c1cccn1C)C2=O,CID4021224,,,,,,0.0,,,,,,,,,,,
CC1CCCCC12NC(=O)N(CC(=O)c1ccc[nH]1)C2=O,CID2999421,,0.0,,0.0,,,,,,0.0,,,,,,,0.0
Cc1[nH]nc2c1C1(CCOC1C)C(C#N)=C(N)O2,CID2961897,,,,0.0,,,0.0,0.0,0.0,0.0,,,,,,,
CCc1[nH]nc2c1C1(CCOC1C)C(C#N)=C(N)O2,CID646248,,,,0.0,,,,,,,,,,,,0.0,
CCCc1[nH]nc2c1C1(CCOC1C)C(C#N)=C(N)O2,CID653065,,0.0,,,,,,,,,,,,,,0.0,
Cc1cc(CNC(=O)c2cccc([N+](=O)[O-])c2C)c2ccccc2n1,CID1507035,,,,,,,,,,,,,,0.0,,,
Cc1cc(CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)c2ccccc2n1,CID1503195,,,,,,,,,,,,,,0.0,,,
COc1cc(C(=O)NCc2cc(C)nc3ccccc23)cc(OC)c1OC,CID1503107,,,,,,,,,,,,,,0.0,,,
COCCn1/c(=N/C(=O)c2cccs2)sc2cc(NC(C)=O)ccc21,CID4048624,,,,,,,,,,,,,,,0.0,,
C#CCn1/c(=N/C(=O)c2ccc(Br)s2)sc2cccc(OC)c21,CID2151361,,,,,,,,,,,,0.0,,,,,
C#CCn1/c(=N/C(=O)c2cccs2)sc2cccc(OC)c21,CID2151298,,,,,0.0,,,,,,,,,,,,
O=C(O)C1=CC2=NC(c3ccco3)CC(C(F)(F)F)N2N1,CID5728633,,,,,,,0.0,,,,,0.0,,,,,
NC(=O)C1=CC2=NC(c3ccco3)CC(C(F)(F)F)N2N1,CID5347643,,,,,,,,,,0.0,,,,,,,
COCCNC(=O)C1=CNN2C1=NC(c1ccco1)CC2C(F)(F)F,CID5764442,,,,,,,,,,,,0.0,,,,,
COc1ccccc1CNC(=O)C(NC(=O)c1ccccc1C)C(C)C,CID6915676,,,,,,,,,,,,,,0.0,,,
CCOCCCNC(=O)C(NC(=O)CNC(=O)c1ccccc1)c1ccc(C)cc1,CID9551183,,,,,,,,,,,,,,0.0,,,
CCOCCCNC(=O)C(NC(=O)CNC(=O)c1ccccc1)c1ccccc1,CID3929342,,,,,,,,,,,0.0,,,,,,
CSC1=NCCN1C(=O)COc1ccccc1,CID4178401,,,,,0.0,,,0.0,,0.0,,,,,,,
CSC1=NCCN1C(=O)C(C)(C)Oc1ccc(Cl)cc1,CID3576242,0.0,0.0,,,0.0,,,,,,,,,,,,0.0
CSC1=NCCN1C(=O)C(C)Oc1ccccc1,CID4167217,,,,0.0,0.0,,,,,,,,,,,,
Clc1ccc2[nH]c3c(NCCN4CCOCC4)ncnc3c2c1,CID661621,0.0,,,,,,0.0,,,,,,,,,0.0,
Fc1ccc2[nH]c3c(NCCN4CCOCC4)ncnc3c2c1,CID3850869,,,,,,,,,0.0,,,,,,,,
Cc1ccc2[nH]c3c(NCCN4CCOCC4)ncnc3c2c1,CID661481,,0.0,0.0,0.0,,,0.0,,,,,,,,,,
COc1cc(C)nc(Nc2nc(C)c(C(C)=O)s2)n1,CID661627,,0.0,,0.0,,,,,0.0,,,0.0,,,0.0,,
COc1cc(OC)nc(Nc2nc(C)c(C(C)=O)s2)n1,CID2186782,,0.0,0.0,,,,0.0,0.0,,,,,,,,0.0,
CC(=O)c1sc(Nc2nc(C)cc(C)n2)nc1C,CID709431,,,,,,,,,,0.0,0.0,0.0,,,,,
CCCS(=O)(=O)N1CCC(C(=O)N2CCc3ccccc3C2)CC1,CID3243177,,,,,,,,,,,,,,,,,0.0
CCS(=O)(=O)N1CCC(C(=O)N2CCc3ccccc3C2)CC1,CID3239824,,,,,,0.0,,,,,,0.0,0.0,,,,
CS(=O)(=O)N1CCC(C(=O)N2CCc3ccccc3C2)CC1,CID893275,,,,0.0,,,,,,,,,0.0,0.0,,,0.0
Cn1c(CN2CCCCC2)nc2cc(NC(=O)c3ccccc3Cl)ccc21,CID1509886,,,,,,0.0,,,,,,,,,,,
Cn1c(CN2CCCCC2)nc2cc(NC(=O)c3ccccc3)ccc21,CID1248068,,0.0,,,,,,0.0,,,,0.0,,,,,
Cn1c(CN2CCCCC2)nc2cc(NC(=O)c3ccc(F)cc3)ccc21,CID667279,,,,0.0,,,,,,,,0.0,,,,,
COc1ccc2c(c1)CC/C(=C\Nc1ccc3c(c1)OCO3)C2=O,CID2241667,,,,,,,,,,0.0,,0.0,,,,,
O=C1/C(=C/Nc2ccc3c(c2)OCO3)CCc2ccccc21,CID2248499,,,,0.0,,,0.0,0.0,,0.0,,,,,,,
O=C1/C(=C\Nc2ccc3c(c2)OCO3)CCc2ccccc21,CID2878840,,,,,,0.0,,,,,,,,,,,
Cc1oc(-c2ccccc2Cl)cc1-c1nn2c(-c3ccco3)nnc2s1,CID2145574,0.0,0.0,,,0.0,,,,,,0.0,,,,,,0.0
Cc1oc(-c2ccc(Cl)cc2)cc1-c1nn2c(-c3ccco3)nnc2s1,CID2145577,,0.0,0.0,,0.0,,,,,,,,,,,,
Cc1oc(-c2ccc(F)cc2)cc1-c1nn2c(-c3ccco3)nnc2s1,CID2214545,,,0.0,,0.0,,,,,,0.0,,,,,,
C=CCn1c(COc2ccc(F)cc2)nnc1SCC(=O)N1CC(=O)Nc2ccccc21,CID2394498,,,,,,,,,,0.0,,,,,,,
C=CCn1c(COc2ccccc2F)nnc1SCC(=O)N1CC(=O)Nc2ccccc21,CID2107628,0.0,,,,0.0,,,,,0.0,0.0,,,,,,0.0
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N1CC(=O)Nc2ccccc21,CID2107624,0.0,,0.0,0.0,0.0,,,,0.0,,0.0,0.0,0.0,,,,
CC1(C)NC(=O)N(CC(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1=O,CID4967728,,,,,,,,,,,,,,0.0,,,
CCC1(CC)NC(=O)N(CC(=O)OCC(=O)Nc2cc(C)ccc2C)C1=O,CID2338322,,,,,,0.0,,,,,,,,,,,
CCC1(CC)NC(=O)N(CC(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2)C1=O,CID2568750,,,,,,,,,,,,,,0.0,,,
COc1ccc(Nc2nc(N)nc(CN3CCC(Cc4ccccc4)CC3)n2)cc1,CID1397715,,,0.0,,,,,,,0.0,,,,,,,
Nc1nc(CN2CCC(Cc3ccccc3)CC2)nc(Nc2ccccc2)n1,CID1214346,,,,,,,,,,0.0,,,,0.0,,,
COc1ccccc1Nc1nc(N)nc(CN2CCC(Cc3ccccc3)CC2)n1,CID1382129,,,0.0,,,,,,,,,,,,,0.0,
CCCc1nnc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)s1,CID1534406,,0.0,,,,,,,,,,,,,,0.0,0.0
CCc1nnc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)s1,CID1317186,,,,,0.0,,,,,,,,,,,0.0,
Cc1nnc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)s1,CID975236,,,,,,,0.0,,,,,,,,,,
O=C(CSc1nc2ccccc2[nH]1)c1ccco1,CID2373683,,,,,0.0,0.0,0.0,,,0.0,,0.0,0.0,,0.0,,0.0
CCOC(=O)c1ccc2c(c1)nc(SCC(=O)c1ccco1)n2CC,CID2997721,,,,0.0,,,0.0,0.0,0.0,,,,,,,,0.0
COc1ccc2nc(SCC(=O)c3ccco3)[nH]c2c1,CID743590,,,,,,0.0,,,,,,,,,,,
Cc1cc(C(=O)CSc2nnc(N)s2)c(C)n1CCc1ccc(Cl)cc1,CID2082296,,,,,,,,,0.0,0.0,0.0,,,,,,
COc1ccc(CCn2c(C)cc(C(=O)CSc3nnc(N)s3)c2C)cc1,CID2529468,0.0,,0.0,,0.0,,0.0,,0.0,0.0,0.0,,,,,0.0,
Cc1cc(C(=O)CSc2nnc(N)s2)c(C)n1CCc1ccc(F)cc1,CID2161188,,0.0,0.0,,0.0,0.0,0.0,,,,,,,,,,
Cc1ccc(S(=O)(=O)NC2CCOC(C)(C)C2)cc1,CID650352,,,,0.0,,,,,0.0,,,,,,,,
CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NC2CCOC(C)(C)C2)cc1,CID3226739,,,,,,,,,,0.0,,,,0.0,,,
CC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)NC2CCOC(C)(C)C2)cc1,CID3226736,,,,,,,,,,0.0,0.0,,,,,,
CCCn1c(O)c(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)c2ccccc21,CID650354,0.0,,0.0,,,0.0,0.0,,,,0.0,,0.0,,,,
CCCCCn1c(O)c(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)c2ccccc21,CID3096118,,,,,,,,,,,,0.0,,,,,
CCCCCCn1c(O)c(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)c2ccccc21,CID650902,,,0.0,,,,,0.0,,,,,0.0,,,,
O=C(c1ccccc1)N1CCCC(c2nc3n(Cc4ccccc4)[nH]nc-3c(=O)n2)C1,CID648416,,,,,,,,,,0.0,,,0.0,,0.0,,
COc1ccc(Cn2[nH]nc3c(=O)nc(C4CCCN(C(=O)c5ccccc5)C4)nc2-3)cc1,CID6324575,,,,,,,,,,,0.0,,0.0,,,,
O=C(c1ccccc1Cl)N1CCCC(c2nc3n(Cc4ccccc4)[nH]nc-3c(=O)n2)C1,CID645915,,,0.0,,,,,,,,,,0.0,,,,
Cc1nc2sc(C)c(C)c2c(=O)o1,CID384431,,,,,0.0,,0.0,,,,,,,,,,
Cc1sc2nc(C(C)C)oc(=O)c2c1C,CID744714,,,,,,,,,,,,,,,0.0,,
Cc1sc2nc(C(C)(C)C)oc(=O)c2c1C,CID744715,,,,,,,,,,,,,,,0.0,,
Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCCCN3CCN(C)CC3)o2)cc1,CID3238768,,,0.0,,0.0,,,,0.0,0.0,0.0,,,,,,
Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCCCN2CCN(C)CC2)o1,CID3242771,,,,,0.0,,,,,,0.0,,,,,0.0,
CN1CCN(CCCNC(=O)c2ccc(CS(=O)(=O)c3ccc(Br)cc3)o2)CC1,CID5308514,0.0,,,,,,,,,,0.0,,,,,,
O=C(CCC1CCCCC1)Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)C2,CID2160265,0.0,,,,0.0,0.0,0.0,0.0,,,,,,,,0.0,0.0
Cc1ccc(-n2nc3c(c2NC(=O)CCC2CCCCC2)CS(=O)C3)cc1,CID2160264,0.0,0.0,,0.0,0.0,0.0,0.0,,,,0.0,,,,,,0.0
Cc1cccc(-n2nc3c(c2NC(=O)CCC2CCCCC2)CS(=O)C3)c1C,CID2160267,0.0,,,,,,,0.0,,0.0,,,,,,,0.0
CCc1nn2c(N3CCOCC3)cc(C)nc2c1-c1ccc(F)cc1,CID655208,,,0.0,0.0,,,,0.0,,,,0.0,,,,,
Cc1nc2c(-c3ccc(F)cc3)c(C)nn2c(N2CCOCC2)c1C,CID652580,,0.0,0.0,,,0.0,,0.0,,,,0.0,,,,,
Cc1cc(N2CCOCC2)n2nc(C)c(-c3ccccc3)c2n1,CID665375,,,,,,,0.0,,,,,0.0,,,,,
CCN(CCNC(=O)C1CCN(Cc2nc(-c3ccc(Cl)cc3)oc2C)CC1)c1ccccc1,CID3239890,,,0.0,,,,,,,,,,0.0,,0.0,,
CCc1ccc(-c2nc(CN3CCC(C(=O)NCCN(CC)c4ccccc4)CC3)c(C)o2)cc1,CID3238586,0.0,,,,,,,,,,0.0,,,,,0.0,0.0
CCN(CCNC(=O)C1CCN(Cc2nc(-c3cccc(Cl)c3)oc2C)CC1)c1ccccc1,CID3241992,0.0,,,,,,,,,,,,,,,,
Cc1nn(Cc2ccc(C(=O)NC(C)(C)C)o2)c(C)c1Br,CID3239894,0.0,,,,,,0.0,,0.0,,0.0,0.0,,,,0.0,0.0
Cc1cc(C)n(Cc2ccc(C(=O)O)o2)n1,CID658387,,,0.0,0.0,,,,,,,,,,,0.0,,
COC(=O)c1ccc(Cn2nc(C)c(Cl)c2C)o1,CID674802,,,,,,,,,,,,0.0,,,,,
Cn1c(NCCCN2CCOCC2)nc2c1c(=O)n(Cc1ccc(Cl)cc1)c(=O)n2C,CID663257,0.0,,,,,,0.0,,,,,,,,,,0.0
Cn1c(NCCCN2CCOCC2)nc2c1c(=O)n(Cc1ccc(Cl)c(Cl)c1)c(=O)n2C,CID662693,0.0,,,,,,,,,,,,0.0,,,,
Cn1c(NCCCN2CCOCC2)nc2c1c(=O)n(Cc1ccc(Cl)cc1Cl)c(=O)n2C,CID663182,0.0,,,,,,,,,,,,0.0,,,,
Cc1ccc2nc(-c3ccccc3Cl)cc(C(=O)Nc3cc(C)on3)c2c1,CID2220861,0.0,,,,,,,,,,,,0.0,,,0.0,0.0
O=C(Nc1ccon1)c1cc(-c2ccccc2)nc2ccccc12,CID899144,0.0,0.0,,0.0,,,,,,,0.0,0.0,0.0,,,,
Cc1ccc(-c2cc(C(=O)Nc3cc(C)on3)c3ccccc3n2)c(C)c1,CID1222333,0.0,0.0,0.0,0.0,,,0.0,,0.0,0.0,,0.0,0.0,,,,
O=C1c2ccccc2NC(c2ccccc2)N1Cc1ccccc1,CID2888337,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1,CID2887786,,,,,,0.0,,,,,,,,,,,
O=C1c2ccccc2NC(c2ccc(Cl)cc2)N1Cc1ccccc1,CID2887727,,,,,,0.0,,,,,,,,,,,
CCCN1CCN(C(=O)CN2C(=O)CC(C)(C)S(=O)(=O)c3ccccc32)CC1,CID3235973,,,,,,0.0,,0.0,0.0,,,,,,,0.0,0.0
CCOC(=O)N1CCN(C(=O)CN2C(=O)CC(C)(C)S(=O)(=O)c3ccccc32)CC1,CID3244889,,,,,,,,,,,,,0.0,,,,0.0
CN1CCN(C(=O)CN2C(=O)CC(C)(C)S(=O)(=O)c3ccccc32)CC1,CID3245644,,,,,,0.0,,,,,,,0.0,,,,
COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NC3=NCCS3)c2)cc1,CID2105816,,,,,0.0,,0.0,,,0.0,0.0,,0.0,0.0,,,
C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NC2=NCCS2)ccc1Cl,CID2113638,,,,,,,,,,,,,,0.0,,,
CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)NC2=NCCS2)c1,CID2111348,,,,,,,,,0.0,,,,,,,,
O=C(/C=C/c1ccco1)NC(=S)Nc1cccc(-c2nc3ccccc3o2)c1,CID1344872,,,,,,,,,,,,0.0,,,,,
Cc1ccc2oc(-c3cccc(NC(=S)NC(=O)/C=C/c4ccco4)c3)nc2c1,CID1344689,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)/C=C/c1ccco1,CID1344593,,,,,,,,,,,,0.0,,,,,
Cc1ccc(OC(=O)c2cc3ccccc3o2)cc1,CID725716,,,,,,,,,0.0,,0.0,,,0.0,,,
O=C(Oc1ccccc1)c1cc2ccccc2o1,CID734569,,,0.0,,,,0.0,,0.0,,0.0,,,,,,
COc1ccc(OC(=O)c2cc3ccccc3o2)cc1,CID659898,0.0,,0.0,,,,,,0.0,,0.0,,,0.0,,,
O=C1NCCCN1Cc1ccc(F)cc1Cl,CID3242538,0.0,,,0.0,,,,,,,,,,,,0.0,
Cc1ccc(C)c(CN2CCCNC2=O)c1,CID3239361,,0.0,,,,,,,,0.0,,,,,,,
Cc1ccccc1CN1CCCNC1=O,CID3243592,,,,,,,,0.0,,,,,0.0,,,0.0,
Cc1cc(Nc2ccccc2)n(CCC#N)n1,CID2356882,,0.0,,0.0,,,,,,,,,,,,,
Cc1cc(Nc2ccccc2)n(CCO)n1,CID2356877,,,,,,,,,,,,0.0,,0.0,,,
CCn1nc(C)cc1Nc1ccccc1,CID2356878,,,,,,,,,,,,,,,0.0,,
Cc1nnc(-c2ccc(Oc3ccc(Br)cc3)c([N+](=O)[O-])c2)o1,CID1334730,,,,,,,,,,,,,,,0.0,,
Cc1nnc(-c2ccc(Oc3ccc(Cl)cc3)c([N+](=O)[O-])c2)o1,CID940216,,,,,,,,,,,,,,0.0,,,
O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(-c2nnco2)cc1,CID2569842,,,,,,,,,,,,,,0.0,,,
Cc1cc2c(c(=O)o1)C(C(C)C)C(C#N)=C(N)O2,CID645273,,,,,0.0,,0.0,,,,,0.0,,,,,
Cc1cc2c(c(=O)o1)C(CC(C)C)C(C#N)=C(N)O2,CID660487,0.0,,,0.0,0.0,,0.0,,,,,,,,,,
CCCC(C)C1C(C#N)=C(N)Oc2cc(C)oc(=O)c21,CID662065,,,,0.0,,,0.0,0.0,,,,,,,,,
O=C1CCC(C(=O)Nc2cccc(C(F)(F)F)c2)N1,CID3127810,,,,0.0,,,0.0,,0.0,,,,,,,,0.0
COc1ccc(NC(=O)C2CCC(=O)N2)cc1,CID2844529,,,,0.0,,,,,,,,,,,,,
O=C1CCC(C(=O)Nc2ccc(OC(F)F)cc2)N1,CID2999448,,,0.0,,,,,,,,,,,,,,0.0
COc1ccc(C(=O)NCC(=O)OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1,CID2417630,,,,,,,,,0.0,,,,,0.0,,,
Cc1c(NC(=O)C(C)OC(=O)CNC(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C,CID4292880,,,,,,,,,,,0.0,,,,,,
Cc1c(NC(=O)C(C)OC(=O)C(NC(=O)c2ccccc2)C(C)C)c(=O)n(-c2ccccc2)n1C,CID9551972,,,,,,0.0,,,,,,,,,,,
COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)C1,CID744955,,,,,,,0.0,0.0,0.0,,0.0,,0.0,,0.0,0.0,
COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)C1,CID740863,,,,,,,,,,,,,,,0.0,,
COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)C1,CID740861,,,,0.0,,0.0,,,0.0,0.0,,,,0.0,,0.0,
Cc1onc(-c2ccccc2)c1C(=O)N1CCc2ccccc21,CID539739,,,,,,,,,,,,0.0,0.0,,0.0,,
Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCc2ccccc21,CID798827,,0.0,,0.0,,,,,,0.0,,,,0.0,,,
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCc2ccccc21,CID1160933,0.0,,,,,,,,,0.0,,,,,,,
COc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1COc1ccc(NC(C)=O)cc1,CID661788,0.0,,,,,,,,,,,,,,,,
COc1cccc(OCc2cc(C3Nc4ccccc4C(=O)N3Cc3ccco3)ccc2OC)c1,CID2888021,,,,,,,,,,0.0,,,,,,,
COc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1COc1ccc([N+](=O)[O-])cc1,CID2887981,,,,,,0.0,,,,0.0,,0.0,,,,,
CC(=O)c1cccc(NC(=O)c2ccc(OC3CSC3)cc2)c1,CID756122,,,,,,,,,,,,,,0.0,,,
O=C(Nc1cccc(Br)c1)c1ccc(OC2CSC2)cc1,CID1257575,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(OC)c(NC(=O)c2ccc(OC3CSC3)cc2)c1,CID750100,,,,,,,,,,,,,,0.0,,,
CCOc1ccccc1C(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1,CID1438172,,,,,,,,,,,,0.0,,,,,
COc1ccc(C(=O)C2CCN(C(=O)c3ccc(C)cc3)CC2)cc1,CID1437821,,,,,,0.0,,,0.0,,,,,,0.0,,
COc1ccccc1C(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1,CID655951,,,,0.0,,,,0.0,,,,,,0.0,,,
Cc1ccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1,CID852201,,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1,CID852203,,,,,,,,,,,,,,0.0,,,
O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCCC1,CID894353,,,,,,,,,,,,,,0.0,,,
O=C(c1ccccc1)c1cnc(Nc2ccccc2Cl)s1,CID1485907,,,,,,,,,,,,,,0.0,,,
O=C(c1ccc(Cl)c(Cl)c1)c1cnc(Nc2ccccc2)s1,CID1482538,,,,,,,,,,,,0.0,,,,,
O=C(c1ccc(Cl)cc1)c1cnc(Nc2ccccc2)s1,CID1482534,,,,,,0.0,,,,,,,,,,,
COc1ccc(-c2nc(Cn3c(SCc4ccc(F)cc4)nc4ccncc43)c(C)o2)cc1OC,CID9551375,,,,,,0.0,,,,,,,,,,,
COc1ccc(-c2nc(Cn3c(SCc4cccc(F)c4)nc4ccncc43)c(C)o2)cc1OC,CID5307563,0.0,,,,,,0.0,,,,,,0.0,,,,
COc1ccc(-c2nc(Cn3c(SCc4ccccc4F)nc4ccncc43)c(C)o2)cc1,CID9550154,,,,,,,,,,0.0,,,,,,,
CCN1CCN(C(=O)CCCn2c(C)c3cnn(-c4ccccc4)c(=O)c3c2C)CC1,CID9551372,,,,,,0.0,,,,,,,,,,,
CCCN1CCN(C(=O)CCCn2c(C)c3cnn(-c4ccccc4)c(=O)c3c2C)CC1,CID5308160,0.0,,,,,0.0,0.0,,,,,,,,,,
Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCC(=O)N1CCN(C)CC1,CID5308170,0.0,0.0,,,,0.0,0.0,,,,,,,,,,
COC(=O)c1cccc(S(=O)(=O)N2CCC(c3nc4ccccc4o3)CC2)c1,CID1430787,,,,,,,,,,0.0,0.0,,,,,,
COC(=O)c1ccccc1S(=O)(=O)N1CCC(c2nc3ccccc3o2)CC1,CID654922,,,,,,,0.0,,,,,,0.0,,0.0,0.0,0.0
COC(=O)c1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1,CID1430797,,,,,,,,,,0.0,0.0,,,,,,
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CCCOc3ccccc3)cc2)no1,CID1637932,,,0.0,,,,,0.0,0.0,0.0,0.0,,0.0,,0.0,,0.0
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CCCOc3ccc(Cl)cc3)cc2)no1,CID649336,0.0,,,0.0,0.0,0.0,,,0.0,,0.0,0.0,,,,,
Cc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1,CID652041,,,0.0,,,,,,0.0,,,,0.0,,0.0,,0.0
CC(C)c1nc2oc3c(NCc4ccccn4)ncnc3c2c2c1COC(C)(C)C2,CID667330,,,,,,,,0.0,,,,,,,,,
CCCc1nc2oc3c(NCc4ccccn4)ncnc3c2c2c1COC(C)(C)C2,CID665947,,,,,,,,0.0,,,,,,,,,
Cc1nc2oc3c(NCc4ccccn4)ncnc3c2c2c1COC(C)(C)C2,CID666753,,0.0,,,,,,,,0.0,,,,0.0,,,
CCOC(=O)c1c(NC(=O)CSc2ncnc3ccccc23)sc(C)c1C,CID2361759,,,,,,,,,,,,,,,0.0,,
CCc1nc(SCC(=O)Nc2sc(C)c(C)c2C(=O)OC)c2ccccc2n1,CID1435030,,,,,,,,,,,,,,,0.0,,
N#Cc1ccsc1NC(=O)CSc1ncnc2ccccc12,CID2369720,0.0,,,0.0,0.0,,,,,,,,,,,,
CCCCCn1c(CCCNC(=O)c2cccs2)nc2ccccc21,CID3999689,,,,,,,,,,,,,,,0.0,,
Cn1c(CCCNC(=O)c2cccs2)nc2ccccc21,CID2973566,,0.0,,,,,,,,,,0.0,,,,0.0,
CCn1c(CCCNC(=O)c2cccs2)nc2ccccc21,CID3509771,0.0,0.0,,,,,,,,,,,,,,0.0,
COCCn1c(CN2CCC(Cc3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C,CID667127,0.0,,,,,,0.0,0.0,,,,0.0,,,0.0,,0.0
COC(=O)Cn1c(CN2CCC(Cc3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C,CID666601,0.0,,,,,,,0.0,,0.0,,,,,,0.0,
CCOCCn1c(CN2CCC(Cc3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C,CID666705,0.0,,,,,,,,,0.0,0.0,,0.0,,,,0.0
O=C(NC(=O)c1cccc(Cl)c1)OCC1CCCN2CCCCC12,CID5293839,,,,,,0.0,,,,,,,,,,,
O=C(NC(=O)c1ccccc1)OCC1CCCN2CCCCC12,CID3663370,,,,,,0.0,,,,,,,,,,,
O=C(NC(=O)c1cccc(F)c1)OCC1CCCN2CCCCC12,CID709363,,,,0.0,,,,,,,,,,,,,
COCCN(CC(=O)NCc1ccc(F)cc1)C(=O)CCC(=O)Nc1nccs1,CID646342,,0.0,,,,,,0.0,,,,,,,,,
COCCN(CC(=O)NCc1ccccc1)C(=O)CCC(=O)Nc1nccs1,CID648199,,,0.0,,,,,,0.0,,,,,,,0.0,
COCCN(CC(=O)NCc1ccc(OC)cc1)C(=O)CCC(=O)Nc1nccs1,CID644600,,,,0.0,0.0,,,,0.0,,,,,,,0.0,
COC(=O)c1sc2nc3c(cc2c1N)C(=O)CC(C)(C)C3,CID646344,,,,0.0,,,0.0,0.0,,,,0.0,,,,,
CCCOC(=O)c1sc2nc3c(cc2c1N)C(=O)CCC3,CID1627199,,,0.0,,,,,0.0,,,,,0.0,,,,
CC(C)OC(=O)c1sc2nc3c(cc2c1N)C(=O)CCC3,CID661589,,,,0.0,,,,,,0.0,,,,,,,
Cc1cccc2cc(CN(CC3CCCO3)C(=O)c3cnccn3)c(=O)[nH]c12,CID648184,,,,0.0,,,0.0,0.0,,,0.0,,0.0,,,,
Cc1cc2cc(CN(CC3CCCO3)C(=O)c3cnccn3)c(=O)[nH]c2cc1C,CID645397,,,,0.0,,,0.0,,,,,0.0,,,,,
Cc1cc(C)c2[nH]c(=O)c(CN(CC3CCCO3)C(=O)c3cnccn3)cc2c1,CID647279,,,0.0,,,0.0,0.0,,,0.0,,,0.0,,,,
Oc1ccc(N2CCN(C(c3cccnc3)c3nnnn3Cc3ccccc3)CC2)cc1,CID648186,,,,,,,0.0,,,,,,,,,0.0,
c1ccc(Cn2nnnc2C(c2cccnc2)N2CCN(c3ccccc3)CC2)cc1,CID654593,,,,,,,,,,0.0,,,,,,,
COc1ccc(Cn2nnnc2C(c2cccnc2)N2CCN(c3ccc(O)cc3)CC2)cc1,CID646493,,,,,,,,,,,,,,,,,0.0
Cc1nn(C)c(C(=O)N2CCc3ccccc32)c1Cl,CID844672,,,,,,,,,,0.0,,,,,,,
Cn1nccc1C(=O)N1CCc2ccccc21,CID725789,,,,,,,,,,,,,,,0.0,,
Cn1ncc(Cl)c1C(=O)N1CCc2ccccc21,CID660340,,,0.0,0.0,,,0.0,,,0.0,0.0,,,,,,0.0
Cc1cc2c(=O)[nH]c(Cc3ccccc3)nc2s1,CID962676,,,,,,,,,,,,,,,0.0,,
CCc1cc2c(=O)[nH]c(Cc3ccccc3)nc2s1,CID902241,,,,,,,,,,,,0.0,,,,,
CCc1cc2c(=O)[nH]c(Cc3ccc(OC)cc3)nc2s1,CID2423760,,,,,,,,,,,,,,0.0,,,
COc1cccc(CNc2ccc(N3CCCCC3)cc2)c1OC,CID834331,,0.0,,0.0,,,0.0,0.0,,0.0,,,0.0,,,,0.0
COc1ccccc1CNc1ccc(N2CCCCC2)cc1,CID892164,,0.0,0.0,,,,,,,,,,,,,,
COc1cccc(CNc2ccc(N3CCC(C)CC3)cc2)c1OC,CID834312,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1sc(NC(=O)c2c(C)noc2C)c(C(=O)OCC)c1C,CID1246634,,,,,,,,,,0.0,0.0,,,,,,
CCc1noc(C)c1C(=O)Nc1sc(C(=O)N(C)C)c(C)c1C(=O)OC,CID1244031,,,,0.0,,,0.0,,,,,,,0.0,,0.0,
Cc1noc(C)c1C(=O)Nc1sc(C)c(C)c1C#N,CID1247253,0.0,,,0.0,,,0.0,,,0.0,,0.0,,,,0.0,
COc1ccc(-c2nnc(CSc3nc4ccccc4c(=O)n3C)o2)cc1OC,CID644724,,,,0.0,,,,,,,0.0,,0.0,,,,0.0
COc1ccc(-c2nnc(CSc3nc4ccccc4c(=O)n3CC(C)C)o2)cc1OC,CID650282,0.0,,0.0,0.0,,,,0.0,,,,,0.0,,,,
COCCCn1c(SCc2nnc(-c3ccc(OC)c(OC)c3)o2)nc2ccccc2c1=O,CID3177979,,,,,,,,,,,0.0,,,,,,
Cn1c(=O)n(C)c2ncc(Cl)cc21,CID767491,,0.0,,,,,,,,0.0,,,,,0.0,,
Cn1c(=O)[nH]c2cc(Cl)cnc21,CID657849,,0.0,,,,,0.0,,,,,,,,,,
Cn1c(=O)n(C)c2ncc(Br)cc21,CID665048,,,,,,,,,0.0,,,,,,,0.0,
CCCCn1c(-c2ccccc2)nnc1-c1ccccc1,CID658444,0.0,,,0.0,,,,0.0,,,,,,,0.0,,
Nn1c(-c2ccccc2)nnc1-c1ccccc1,CID229821,,,,,,,,,,,0.0,,,,,,
Nn1c(-c2ccccc2Cl)nnc1-c1ccccc1Cl,CID826306,,,,,,,,,,,,0.0,,,,,
COc1ccc(C(=O)/C(C#N)=C2\Nc3ccccc3N2C)cc1OC,CID5771510,,,0.0,0.0,,,,0.0,,,,,,,,,
CCN(CC)S(=O)(=O)c1ccc(C(=O)/C(C#N)=C2\Nc3ccccc3N2C)cc1,CID5742491,,,0.0,,,,,,,,,,,,,,
COc1cccc(OC)c1C(=O)C(C#N)=C1Nc2ccccc2N1,CID5373998,,0.0,,,,0.0,,,,,,,,,,,
COc1ccccc1CNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C,CID5309245,0.0,,,0.0,,,,,,,,,,,,,
Cc1ccc(CNC(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)cc1,CID6622575,,,,,,0.0,,,,,,,,,,,
COc1ccccc1CNC(=O)c1cc2c(=O)[nH]c3ccccc3c2n1C,CID16195514,,,,,,,,,,,,,,,0.0,,
COc1ccccc1N1CCN(C(=O)c2ccncc2)CC1,CID726571,,,,,,,,0.0,0.0,,,,0.0,,,,
Cc1cccc(N2CCN(C(=O)c3ccncc3)CC2)c1C,CID896410,,0.0,0.0,,,,,,,,,,,,0.0,,
Cc1cccc(N2CCN(C(=O)c3ccncc3)CC2C)c1,CID2998118,,0.0,,,,,,0.0,,,,,,,,,
COc1ccc(C(=O)N2CC3(C)CC2CC(C)(C)C3)cc1,CID2929605,,,,,,,,0.0,,,,,,0.0,,,
CC(=O)Nc1ccccc1C(=O)N1CC2(C)CC1CC(C)(C)C2,CID2928405,,0.0,,,0.0,,,,,,,,,,,,0.0
CC1(C)CC2CC(C)(CN2C(=O)c2ccc([N+](=O)[O-])cc2)C1,CID3150901,,,,,,,,,,,,,,,0.0,,
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc3c(c2)OCO3)cc1,CID1364230,,,,,,,,,,,,0.0,,,,,
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc2c(c1)OCO2,CID1365756,,,,,,0.0,,,,,,0.0,,,0.0,,
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccc2c(c1)OCO2,CID1366210,,,,,,0.0,,,,,,0.0,,,,,
COC(=O)Cn1c(=O)n(CCc2ccccc2)c(=O)c2c3c(sc21)CCCC3,CID2219620,,,,,,,,,,,,,,,0.0,,
NC(=O)Cn1c(=O)n(CCc2ccccc2)c(=O)c2c3c(sc21)CCCC3,CID1244474,,,,,,,,,0.0,,,,,0.0,,,
CCn1c(=O)n(CCc2ccccc2)c(=O)c2c3c(sc21)CCCC3,CID2219619,,,,,,0.0,,,,,,,,,,,
Cc1c(NC(=O)c2cc(-c3ccccc3)on2)c(=O)n(-c2ccccc2)n1C,CID1302330,,0.0,,,,,0.0,,,0.0,0.0,0.0,0.0,,,,
COc1ccc(OC)c(-c2cc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)no2)c1,CID3243396,0.0,,,,,,0.0,,,,,,0.0,,,,
COc1ccccc1-c1cc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)no1,CID3245828,0.0,0.0,0.0,0.0,,0.0,,0.0,,,,,,,,,
CCOc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)C(=O)N3CCOCC3)cc2c1,CID1466061,,,,,,0.0,,,,,,0.0,,0.0,,,
Cc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)C(=O)N3CCOCC3)cc2c1,CID656165,0.0,,,,0.0,,,,0.0,0.0,,0.0,,,0.0,,
Cc1cccc(CCN(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)N2CCOCC2)c1,CID649262,0.0,,0.0,0.0,0.0,,,0.0,0.0,0.0,,,0.0,0.0,,,
Cc1noc2ncc(C(=O)c3cc(F)ccc3O)cc12,CID2545462,,,,,,,,,,,,,,,0.0,,
COc1ccc(O)c(C(=O)c2cnc3onc(C)c3c2)c1,CID2545550,,,,,,,0.0,,,0.0,0.0,,0.0,,0.0,,
COc1ccc(O)c(C(=O)c2cnc3onc(C(C)C)c3c2)c1,CID2998497,,,0.0,,,,0.0,,,,,,0.0,,,,0.0
Cn1c(=O)c2cn3ncccc3c2n(C)c1=O,CID709871,,,,0.0,,,,0.0,0.0,,,,,,0.0,,
Cc1ccnn2cc3c(=O)n(C)c(=O)n(C)c3c12,CID753710,,,,,,0.0,,,,,,,,,,,
Cc1cc(C)c2c3c(cn2n1)c(=O)n(C)c(=O)n3C,CID672047,,,,,,,,,0.0,,,,,,,,
O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1,CID1252116,,,,,,,,,,,,,,,,,0.0
Cc1c(Cl)cccc1NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1,CID1249201,,,,,,,,,0.0,,,0.0,,,,,
Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1,CID2319561,,,,,,,,,,,,,,0.0,,,
Cc1ccc(N2CCN(c3ccc(C)cc3)C2c2cccnc2)cc1,CID827650,,,,,,,,,,0.0,0.0,,,,,,
c1ccc(N2CCN(c3ccccc3)C2c2cccnc2)cc1,CID613908,,,,,,,,,,,0.0,,,,,,
Cc1cccc(N2CCN(c3cccc(C)c3)C2c2cccnc2)c1,CID827711,,0.0,,,,,,,,0.0,,,0.0,,,,
CCOc1ccccc1N1CCN(S(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)CC1,CID2133613,,,,,0.0,,,,,,,,0.0,,,,0.0
COc1ccccc1N1CCN(S(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3C)CC1,CID1244583,,,0.0,,0.0,,,,,,0.0,,,,,,0.0
COc1ccccc1N1CCN(S(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)CC1,CID1159974,,0.0,,,0.0,0.0,,,,,,,,,,,0.0
O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1,CID1363094,,,,,,0.0,,,,,,,,,,,
O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1,CID1363543,,,,,,0.0,,,,,,,,,,,
O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1,CID1362796,,,,,,0.0,,,,,,,,,,,
COc1ccc(-c2cc3c(nn2)-c2ccccc2C3=O)cc1,CID379338,,,,,,,,,,,,,,0.0,,,
O=C1c2ccccc2-c2nnc(-c3ccccc3)cc21,CID379337,,,,,,0.0,,,,,,,,,0.0,,
Cc1ccc(-c2cc3c(nn2)-c2ccccc2C3=O)cc1,CID2767330,,,,,,,,,,,,,0.0,,,,
CC(NC(=O)c1cccs1)C(=O)NC1=NCCS1,CID2941418,,,,,0.0,,,,,0.0,,,,,,,
CC(C)C(NC(=O)c1cccs1)C(=O)NC1=NCCS1,CID2935569,,,0.0,,0.0,,,,,0.0,,,,,,,
O=C(CNC(=O)c1cccs1)NC1=NCCS1,CID745457,,,,,,,,,,0.0,,,,,,,
CC1(C(=O)Nc2nnc(C(C)(C)C)s2)Cc2ccccc2C(=O)O1,CID2981904,,,,,,,,,0.0,,,,,,,,
CCSc1nnc(NC(=O)C2(C)Cc3ccccc3C(=O)O2)s1,CID2959547,0.0,,0.0,0.0,0.0,,0.0,,0.0,0.0,0.0,,,,,,
CCc1nnc(NC(=O)C2Cc3ccccc3C(=O)O2)s1,CID4290028,0.0,0.0,,,,,,0.0,,,0.0,,,,,0.0,0.0
COc1cccc(OCCCCSc2ncccn2)c1,CID2183582,,,,,,,,,,,,0.0,0.0,0.0,0.0,,0.0
Fc1ccccc1OCCCCSc1ncccn1,CID2200018,,,,,,,,,,0.0,,,,,,,
Clc1ccc(OCCCCSc2ncccn2)cc1,CID2183668,,,,,,,,,,0.0,,,,,0.0,,
COC(=O)CSc1n[nH]c(-c2cccnc2)n1,CID856102,,,,,,,,,,,,0.0,,,,,
CC(C)OC(=O)CSc1n[nH]c(-c2cccnc2)n1,CID647561,,0.0,,,,,,,0.0,0.0,0.0,0.0,,,,,
CCOC(=O)CSc1n[nH]c(-c2cccnc2)n1,CID652325,,,,,,,,,,0.0,,0.0,,,,0.0,
Cc1ccc(-c2cc(NC(=O)CSc3n[nH]c(N)n3)n(-c3ccccc3)n2)cc1,CID2455929,,,,,,,,,,0.0,0.0,,,,0.0,,
CCCc1ccc(-c2cc(NC(=O)CSc3n[nH]c(N)n3)n(-c3ccccc3)n2)cc1,CID2083940,,,,,,,,,,,0.0,,,,,,
Nc1nc(SCC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)n[nH]1,CID2097711,,,,,,,,,,,,,,0.0,,,
COc1cc(/C=C\C(=O)Nc2cc(=O)n(C)c(=O)n2C)cc(OC)c1OC,CID2148485,,,,,,,,,,,,,,,0.0,,
Cn1c(NC(=O)/C=C/c2ccccc2)cc(=O)n(C)c1=O,CID896029,,,,,,,,,,,,,,,0.0,,
Cn1c(NC(=O)/C=C\c2ccccc2)cc(=O)n(C)c1=O,CID1742500,,,,,,,,,,,,,,,0.0,,
CN(Cc1nc(-c2cccnc2)no1)S(=O)(=O)c1ccc(Br)cc1,CID1253803,0.0,,,,,,,,0.0,,0.0,,,,,0.0,0.0
CN(Cc1nc(-c2cccnc2)no1)S(=O)(=O)c1ccccc1,CID974719,,0.0,0.0,0.0,,,,,,0.0,,,,,,0.0,0.0
Cc1ccc(S(=O)(=O)N(C)Cc2nc(-c3cccnc3)no2)cc1,CID2202424,,0.0,,,,,,0.0,,,,,,,,0.0,0.0
Clc1cccc(Cl)c1-c1nnc2cccc(Cl)n12,CID627056,,,,,,,,,,,,0.0,,,,,
FC(F)(F)c1cccc(-c2nnc3ccc(C(F)(F)F)cn23)c1,CID654091,,,,,,,,,0.0,,,,,,,,
Clc1ccc(-c2nnc3ccccn23)cc1,CID1507415,,,0.0,,,,,,0.0,,,,,,,0.0,
COc1c(C)cccc1C(=O)NC(=S)Nc1ccc2c(c1)Cc1ccccc1-2,CID1314862,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(=O)NC(=S)Nc2ccc3c(c2)Cc2ccccc2-3)cc1,CID2278644,,,,,,,,,,,,0.0,,,,,
COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc2c(c1)Cc1ccccc1-2,CID2203157,,,,,,0.0,,,,,,,,,,,
CCC(C)(C)n1nnnc1C(c1cc2ccc(OC)cc2[nH]c1=O)N1CCN(C2CCCCC2)CC1,CID645340,0.0,,,,,,,,,0.0,,,,,,,
COCCn1nnnc1C(c1cc2ccc(OC)cc2[nH]c1=O)N1CCN(C2CCCCC2)CC1,CID649805,,,,,,,,,,0.0,,,0.0,,,,
COCCn1nnnc1C(c1cc2cc(C)ccc2[nH]c1=O)N1CCN(C2CCCCC2)CC1,CID646899,,,,,,,,,,,,,0.0,,,,
CCCOC1=N/C(=C2\C=CC=CC2=O)NC(C)=C1,CID5604415,,,,,,0.0,,,,,,,,,,,
CCCCN(CCCC)C1=N/C(=C2\C=CC=CC2=O)NC(C)=C1,CID5603643,,,,,,0.0,,,,0.0,,,,,,,
C=CCOC1=N/C(=C2/C=CC=CC2=O)NC(C)=C1,CID5594660,,,,,,0.0,,,,,,,,,,,
CCn1nc(C(=O)OCC(=O)N2c3ccccc3CC2C)c2ccccc2c1=O,CID2999529,,,,,0.0,,,,,,,,0.0,,,,
CCn1nc(C(=O)OCC(=O)N2CCc3ccccc32)c2ccccc2c1=O,CID2120500,,,,,,,,0.0,,,,,,,,,
Cn1nc(C(=O)OCC(=O)N2CCc3ccccc32)c2ccccc2c1=O,CID2552986,,,,,,,,,,,,,,,,,0.0
COCC(C)n1c(SCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)nc2ccccc2c1=O,CID2999525,,,,,0.0,,,,,,,,0.0,,,,
CC(C)Cn1c(SCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)nc2ccccc2c1=O,CID2610950,,,,,,,,,0.0,,0.0,,,,,,
CCC(C)n1c(SCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)nc2ccccc2c1=O,CID2997839,,,,,0.0,,0.0,0.0,,,,,,,0.0,,
COc1cc(CC(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc(OC)c1OC,CID2359397,,,,,,,,,,,,,,,0.0,,
COc1ccc(CC(=O)OCC(=O)Nc2cccc(Br)c2)cc1,CID2336024,,,,,,,,,,,,,,,0.0,,
COc1cccc(NC(=O)COC(=O)Cc2ccc(Br)cc2)c1,CID2338059,,,,,,,,,,,,,,,0.0,,
Cc1nc(N2CCCC2)c2nnn(Cc3ccccc3Cl)c2n1,CID644484,0.0,,,,,,0.0,,,,,,,,,,
Clc1ccccc1Cn1nnc2c(N3CCCC3)ncnc21,CID648079,,0.0,0.0,,,,0.0,,,,,,,,,,
c1ccc(Cn2nnc3c(N4CCCC4)ncnc32)cc1,CID644719,,0.0,0.0,0.0,,,,,,0.0,,0.0,,0.0,,,
Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCCc2ccccc21,CID1005077,,,0.0,,,0.0,,,,,,,0.0,0.0,,0.0,0.0
Cc1onc(-c2ccccc2)c1C(=O)N1CCCc2ccccc21,CID736339,0.0,0.0,0.0,,,0.0,0.0,,0.0,,,,,,,,
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCCc2ccccc21,CID2334885,,0.0,,,,0.0,,,,,,,,,,0.0,
Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CCc4ccccc4C3)ccc2Cl)c1C,CID2238561,,,,,,0.0,,,,,,0.0,,,,,
Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N3CCc4ccccc4C3)ccc2Cl)c1,CID1253962,,,,,,,,,,,,0.0,,,,,
Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CCc3ccccc3C2)ccc1C,CID2222461,,,,,,0.0,,,,,,,,,,,
CCOc1nc(NCCc2ccc(OC)c(OC)c2)nc(NC(C)(C)CO)n1,CID3239498,,0.0,,,,,,,,,,,,0.0,,,
COc1nc(NCCc2ccc(OC)c(OC)c2)nc(NC(C)(C)CO)n1,CID3242147,,0.0,,,,,0.0,,,,,,,,0.0,0.0,
COc1nc(NCCc2ccc(OC)c(OC)c2)nc(OC)n1,CID975498,,,0.0,0.0,,,,,0.0,0.0,,,0.0,,,,
Fc1ccccc1N1CCN(c2nc3ccccc3n3nnnc23)CC1,CID3239492,,0.0,,,,,,,,,,,,,,0.0,
COc1ccccc1N1CCN(c2nc3ccccc3n3nnnc23)CC1,CID3235578,,0.0,,,0.0,,,,,,0.0,,,,,0.0,
c1ccc(N2CCN(c3nc4ccccc4n4nnnc34)CC2)cc1,CID3236254,,0.0,0.0,,0.0,,,,,,,,,,,,
COc1ccc(NC2=CC(=O)CC(c3ccc(C)cc3)C2)c(OC)c1,CID2917024,,,,,,,,,,,,0.0,,,,,
COc1ccc(NC2=CC(=O)CC(c3ccccc3)C2)c(OC)c1,CID2859221,,,,,,0.0,,,,,,,,,0.0,,
COC(=O)C1C(=O)C=C(Nc2ccc(F)cc2)CC1c1ccc(OC)cc1,CID4317736,,,,,,,,,,,,,,0.0,,,
COc1ccccc1-n1cnc2cc(C(=O)NCCCN3CCOCC3)ccc21,CID3241253,0.0,,,,,,,0.0,,,,,,,,,0.0
CCOc1ccc(-n2c(C)nc3cc(C(=O)NCCCN4CCOCC4)ccc32)cc1,CID3236270,0.0,,0.0,0.0,,,,,,,0.0,,,,,,
COc1ccc(OC)c(-n2cnc3cc(C(=O)NCCCN4CCOCC4)ccc32)c1,CID3237563,0.0,,,,,0.0,,,,,,0.0,,,,,0.0
O=C1c2cccc3cccc(c23)C(=O)N1c1ccccn1,CID683497,,,,,,,,,,,,,,,0.0,,
Cc1ccnc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)c1,CID704848,,,,,,,,,,,,,,0.0,,,
O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1c1ccccn1,CID1218173,,,,,,0.0,,,,,,,,0.0,0.0,,
Cc1ccccc1NC(=S)NC(=O)c1cncc(Br)c1,CID1016575,,,,,,,,,,,,,,0.0,,,
CC(C)c1ccc(O)c(NC(=S)NC(=O)c2cccnc2)c1,CID889369,,,,,,,,,,,,,,0.0,,,
CCN(C(=S)NC(=O)c1cccnc1)c1ccccc1,CID786710,,,,,,0.0,,,,,,,,,,,
Cc1cccc(Nc2nc(NCc3ccco3)nc(N3CCOCC3)n2)c1,CID651460,,,0.0,0.0,,,,,,,,,,,,,
Fc1ccccc1Nc1nc(NCc2ccco2)nc(N2CCOCC2)n1,CID1158965,,,,,,,,,,,,,,,0.0,,
CC(C)c1ccc(Nc2nc(NCc3ccco3)nc(N3CCOCC3)n2)cc1,CID647595,,0.0,,,,,,,,,,,,,,,0.0
CCN1C(SCC(=O)NCc2ccc3c(c2)OCO3)=NN/C1=C1/C=Nc2ccccc21,CID5310266,,,,,,,,0.0,,,,,,,,,
COCCN1C(SCC(=O)NCc2ccc3c(c2)OCO3)=NN/C1=C1/C=Nc2ccccc21,CID5310517,,,0.0,,,,,,,,,,,0.0,,,
CN1C(SCC(=O)NCc2ccc3c(c2)OCO3)=NN/C1=C1/C=Nc2ccccc21,CID5771721,,,,,,,,,,,0.0,,,,0.0,,
CC1=C(C(=O)OC(C)C)C(c2cccnc2)N2NC=NC2=N1,CID5308099,,0.0,,,,,0.0,,,,,,,,,,
CCN(CC)C(=O)C1=C(C)N=C2N=CNN2C1c1cccnc1,CID5711924,,,,,,,,,,,,,,,0.0,,
CCOC(=O)C1=C(C)N=C2N=CNN2C1c1cccnc1,CID5711297,,,,,,0.0,,,,,,,,,0.0,,
Cc1nnc(SCc2ccc3c(c2)OCO3)s1,CID976736,,,,,,0.0,,,,0.0,,,,,,,
Nc1nnc(SCc2ccc3c(c2)OCO3)s1,CID877354,,0.0,,0.0,0.0,,0.0,,,0.0,,,0.0,,,,
Nc1nnc(SCc2cc3c(cc2Cl)OCO3)s1,CID754420,,,0.0,,,,,,0.0,,,,,,,,
CCn1cc(C(=O)NCCCN2CCC(C)CC2)c2cc(OC)c(OC)cc2c1=O,CID5308090,0.0,,,,,0.0,,,,,,,,,,,
CCn1cc(C(=O)NCCCN2CC(C)CC(C)C2)c2cc(OC)c(OC)cc2c1=O,CID3235863,,0.0,0.0,,,,,,,,,0.0,0.0,,,,
CCC1CCCCN1CCCNC(=O)c1cn(CC(C)C)c(=O)c2cc(OC)c(OC)cc12,CID3238696,,,,,,,,,,,,0.0,,,,,
Cc1ccc(C(c2nnnn2CC2CCCO2)N2CCN(C(=O)c3ccco3)CC2)cc1,CID648836,,,,,,,,,,0.0,,,,,,0.0,
O=C(c1ccco1)N1CCN(C(c2ccc(F)cc2)c2nnnn2CC2CCCO2)CC1,CID652849,,0.0,,,,,,,,,,,,,,,
O=C(c1ccco1)N1CCN(C(c2ccc(Cl)cc2)c2nnnn2CC2CCCO2)CC1,CID655364,,,,,,,,,,,,,,,,0.0,
Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1,CID3238307,0.0,,0.0,,,,,,,,,,,,,0.0,0.0
COc1ccc(CNC(=O)C2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1,CID3242252,,,,0.0,,,,0.0,,,,,,,,,
O=C(NCc1ccccc1)C1CCN(S(=O)(=O)N2CCOCC2)CC1,CID3245094,,,,,,0.0,,0.0,0.0,,,,,,,,
Cc1c(C#N)c2ccccc2n1CC(=O)NCc1ccccc1,CID668673,,,,,,,,,,,,,,,0.0,,
Cc1c(C#N)c2ccccc2n1CC(=O)NC(C)c1ccccc1,CID2975312,,,,,,,,,,,0.0,0.0,,,,,
N#Cc1ccc2ccn(CC(=O)NCc3ccccc3)c2c1,CID848453,0.0,,,,0.0,,,0.0,,,0.0,,,,,0.0,
Cc1ccc(S(=O)(=O)Nc2cc(C)nn2-c2ccccc2)cc1,CID778683,0.0,,,,0.0,,,0.0,,,,,0.0,,,0.0,0.0
Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1,CID5335,,,,,,,,0.0,,,,,,,,,
Cc1cc(NS(=O)(=O)c2ccccc2)n(-c2ccccc2)n1,CID2104462,0.0,0.0,,0.0,0.0,,0.0,,,,,,0.0,0.0,,0.0,0.0
CCCCOc1nc(N)nc(-c2ccccc2)n1,CID2256009,,0.0,,0.0,,,,0.0,,,,0.0,,0.0,,,
Nc1nc(N)nc(-c2ccccc2)n1,CID7064,,,,,,,,,,,,,,,,0.0,
CC(=O)Nc1nc(C)nc(-c2ccccc2OC(C)=O)n1,CID853427,,,,0.0,,,,0.0,,,,,0.0,,,,
O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccco1,CID690606,,,,,,,0.0,0.0,,,,,,0.0,,,0.0
CC1CN(S(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)CC(C)O1,CID649025,,,0.0,,,,,,,0.0,,,,,,,
O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Br)o1,CID1154227,,,,,,,0.0,,0.0,,0.0,,,0.0,,0.0,
CCc1ccc(Nc2nc(N)nc(CSc3nnnn3-c3ccccc3)n2)cc1,CID1422080,,0.0,,,0.0,,,,,,1.0,,,,,,
Cc1ccc(Nc2nc(N)nc(CSc3nnnn3-c3ccccc3)n2)cc1,CID1300017,,,,,0.0,,0.0,,,,,,,,,,
Cc1ccccc1Nc1nc(N)nc(CSc2nnnn2-c2ccccc2)n1,CID2621245,,,,,0.0,,,,,,0.0,,,,,,
CC1CCCC/C1=N\NS(=O)(=O)c1ccc(Br)cc1,CID3347463,,,,,,,,,,,0.0,,,,,,
Cc1ccc(S(=O)(=O)NN=C2CCC(C(C)(C)C)CC2)cc1[N+](=O)[O-],CID4287754,,,,,,,,,,,,,,,0.0,,
COc1ccc(S(=O)(=O)NN=C2CCCCC2)cc1,CID795584,,,,,,,,,,,,0.0,,,,,
CCc1nnc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccccc2)s1,CID655607,,0.0,0.0,0.0,,0.0,,,,,,0.0,,,,,0.0
CCc1nnc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccc(OC)cc2)s1,CID645970,,0.0,,0.0,,,,,,,,0.0,,,,,0.0
Cc1nnc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccccc2)s1,CID1260066,,0.0,,0.0,,,,,,,,0.0,,,,,0.0
Cc1ccc(-n2c(Cc3cccn3C)nnc2SCC(N)=O)cc1,CID3237689,,0.0,,,,0.0,,,,,,,0.0,,,0.0,
COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(N)=O)cc1,CID5307872,,,,,,,0.0,0.0,,,,,,,,,
Cn1cccc1Cc1nnc(SCC(N)=O)n1-c1ccc(F)cc1,CID5308021,0.0,,,0.0,,,,0.0,,,,,,,,,
COC(=O)C1=CN(C(C)C)C=C(C(=O)OC)C1c1cc2c(cc1Br)OCO2,CID2171942,0.0,,,,,,,,,,,,,,,,
COCCN1C=C(C(=O)OC)C(c2cc3c(cc2Br)OCO3)C(C(=O)OC)=C1,CID2052819,0.0,,,,,,,,,,,,,,,,
COCCN1C=C(C(=O)OC)C(c2ccc3c(c2)OCO3)C(C(=O)OC)=C1,CID2052813,,,,,,,,,,,0.0,,0.0,,,,
O=C(O)CSc1nnc(C2CC2)n1-c1ccccc1,CID977800,0.0,0.0,,,,,,0.0,,,0.0,,0.0,,,0.0,0.0
CC(C)NC(=O)CSc1nnc(C2CC2)n1-c1ccccc1,CID2085903,,,,,,,,,,,0.0,,,,,,
NC(=O)CSc1nnc(C2CC2)n1-c1ccccc1,CID2060551,,,,,,,,,,0.0,,,,,,,
COc1ccc(/C=C2\CCc3ccccc3C2=O)cc1Cn1nc(C)c(Br)c1C,CID1219844,,,,,,,,,0.0,,,,,,,,
COc1ccc(/C=C2\CCc3ccccc3C2=O)cc1Cn1nc(C)cc1C,CID9551495,,,,,,,,,,0.0,,,,,,,
COc1ccc(/C=C2\CCc3ccccc3C2=O)cc1Cn1cccn1,CID9551496,,,,,,0.0,,,0.0,,,,,,,,
CC(C)CN(CC(C)C)S(=O)(=O)N1CCC(C(=O)NC2CCCCCCC2)CC1,CID3245451,0.0,,,,,,,,,,,,,,,,
CCS(=O)(=O)N1CCC(C(=O)NC2CCCCCCC2)CC1,CID3245993,,,,0.0,,,0.0,0.0,,,0.0,,,,,,
CN(C)C(=O)N1CCC(C(=O)NC2CCCCCCC2)CC1,CID3236588,,,,,,,,0.0,0.0,,,0.0,,,,,
Cc1ccc(Cn2ncc3c(N4CCOCC4)ncnc32)cc1,CID661932,,0.0,,0.0,,,,,,,,0.0,,,,,
c1ccc(Cn2ncc3c(N4CCOCC4)ncnc32)cc1,CID745523,,,,,,,,,,,,0.0,,0.0,,,
Clc1ccc(Cn2ncc3c(N4CCOCC4)ncnc32)cc1,CID929887,,,0.0,,,,,,,0.0,,,,,,,
Cc1cc(C)n(C(=O)CNC(=O)COc2ccccc2)n1,CID661935,0.0,0.0,0.0,0.0,,,0.0,0.0,0.0,,,,,,,,0.0
Cc1cccc(OCC(=O)NCC(=O)n2nc(C)cc2C)c1,CID658913,,0.0,,,,,,,0.0,,,,,,,,
Cc1ccc(OCC(=O)NCC(=O)n2nc(C)cc2C)cc1,CID661649,,,,,,,,,,,,,,,0.0,,
CC1=Nc2ccc(C)cc2NC(C)=C1N=O,CID6001349,,,,,,,,,,,,0.0,,,,,
CC1=CC(C)=Nc2ccc(C)cc2N1,CID438865,,,,0.0,,,,,,,,0.0,,,,,0.0
CC1=Nc2ccc(Cl)cc2NC(C)=C1N=O,CID5742446,,,0.0,0.0,,,,,,,,,,,,,
COc1ccc(-c2nc(-c3cccc(C)c3)nc(N3CCN(C)CC3)c2C#N)cc1,CID1487108,,,,,,,,,,,,,,,0.0,,
COc1ccc(-c2nc(-c3ccccc3)nc(N3CCN(C)CC3)c2C#N)cc1,CID3518600,,,,,,,,,,,,,,0.0,,,
COc1ccccc1-c1nc(-c2ccccc2)nc(N2CCN(C)CC2)c1C#N,CID2767134,,,,,,,,,,,,,,,0.0,,
CC(=O)C(Sc1nc(-c2ccc(F)cc2)nc2c1c(=O)n(C)c(=O)n2C)C(C)=O,CID5310538,,,,,,,0.0,,,,,,,,,,
COC(=O)C(C)Sc1nc(-c2ccc(OC)cc2)nc2c1c(=O)n(C)c(=O)n2C,CID3242850,,,,,,,,,,,,,,,,,0.0
CCOC(=O)C(C)Sc1nc(-c2ccc(OC)cc2)nc2c1c(=O)n(C)c(=O)n2C,CID5310169,,0.0,0.0,,,,,,0.0,,,,,,,,
Cc1cccc(-c2nnc(SCc3ccc(C#N)cc3)n2Cc2ccco2)c1,CID2039413,,,,,,0.0,,,,,0.0,,,,,,
COc1cccc(-c2nnc(SCc3ccc(C#N)cc3)n2Cc2ccco2)c1,CID665346,0.0,,0.0,,0.0,,,,,,0.0,,0.0,,,,
N#Cc1ccc(CSc2nnc(-c3ccccc3)n2Cc2ccco2)cc1,CID4027062,,,,,,0.0,,,,,,,,,,,
O=C(O)CC(c1ccc(Cl)cc1)N1C(=O)CCC1=O,CID3240976,,0.0,0.0,,,,,,,,,,,,,0.0,
CCCN(CCC)C1CC(=O)N(Cc2ccccc2)C1=O,CID664673,,,,0.0,0.0,,,,,0.0,,,0.0,,,0.0,0.0
CCCCCCC(=O)N(O)C1CC(=O)N(Cc2ccccc2)C1=O,CID662457,,,0.0,,,,0.0,,0.0,,0.0,,,,,,
CCOC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1ccc(O)cc1,CID11958848,,,,,,0.0,,,,,,,,,,,
CNS(=O)(=O)c1ccc(N/C=C2\C(=O)N(c3ccc(C)cc3C)N=C2C)cc1,CID5437006,,,,,,,,,,,,,,0.0,,,
COc1ccccc1N/C=C1\C(=O)N(c2ccc(C)cc2C)N=C1C,CID5409786,,,,,,,,,,,,,,,0.0,,
CCc1nc(C)c(C#N)c2cc(OC)c(OC)cc12,CID617877,,,,0.0,,,,0.0,,,,,,,,,
N#Cc1cccc2cnccc12,CID459770,,,,,,,0.0,0.0,,,,,0.0,,,,
Nc1cccc2cnccc12,CID70766,,0.0,,,,0.0,0.0,,,,,,,,,,
Cc1ccccc1-n1c(SCC(=O)c2cc(C)n(C)c2C)nnc1-c1cccnc1,CID2084350,,,,,,,,,,,,0.0,,,,,
Cc1cc(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2F)c(C)n1C,CID2085261,1.0,0.0,,,0.0,,,,,,,,,,,,
COCCn1c(C)cc(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2F)c1C,CID2088026,,,,,,,0.0,,,0.0,,,,,,0.0,0.0
COCCN(CC(=O)NCC1CCCO1)C(=O)CCC(=O)Nc1cc(C)on1,CID655759,0.0,,,,,,,,,,,,,,,,
C=CCN(CC(=O)NCC1CCCO1)C(=O)CCC(=O)Nc1cc(C)on1,CID645168,,,,,,,,,,,,0.0,0.0,,,,
Cc1cc(NC(=O)CCC(=O)N(CCC(C)C)CC(=O)NCC2CCCO2)no1,CID652861,,,,,,,,,,0.0,,,,,,,
COc1ccccc1NC(=O)Cn1c(CN2CCCCC2)nc2ccccc2c1=O,CID652254,0.0,,,,,,0.0,,,,0.0,0.0,,,,,0.0
O=C(Cn1c(CN2CCCCC2)nc2ccccc2c1=O)Nc1ccccc1,CID651008,0.0,,,,,,,0.0,,,0.0,,,,,,0.0
Cc1cccc(C)c1NC(=O)Cn1c(CN2CCCCC2)nc2ccccc2c1=O,CID1166544,,,,,,,,,0.0,,,,,,,,
O=C(NCc1cccnc1)c1ccc(COc2ccccc2Cl)cc1,CID2192193,,,,,,,,,,,,,,0.0,,,
Cc1ccc(OCc2ccc(C(=O)NCc3cccnc3)cc2)cc1C,CID893035,,,,,,,,,,,,,,0.0,,,
O=C(NCc1cccnc1)c1ccc(COc2ccc(Cl)cc2)cc1,CID1226236,,,,,,,,,,,,,,0.0,,,
COc1cc(C2=NC3=NC(C)=C(C(N)=O)C(c4ccncc4)N3N2)cc(OC)c1OC,CID5771275,,,0.0,,,,,,,,0.0,,,,,,
COc1ccc(C2=NC3=NC(C)=C(C(N)=O)C(c4ccncc4)N3N2)cc1,CID5771483,,,,,,,,,,0.0,,,,,,,
CC1=C(C(N)=O)C(c2ccncc2)N2NC(c3ccccc3Cl)=NC2=N1,CID5309113,,,,,,,0.0,,,,0.0,,,,,0.0,
Cc1ccc(C(C(=O)NC2CCCCC2)N(CC2CCCO2)C(=O)CNC(=O)c2ccco2)cc1,CID650969,,,,,,0.0,0.0,,,,0.0,,,,,,
O=C(NCC(=O)N(CC1CCCO1)C(C(=O)NC1CCCCC1)c1ccccc1)c1ccco1,CID3211760,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(C(=O)NC2CCCCC2)N(CC2CCCO2)C(=O)CNC(=O)c2ccco2)cc1,CID644505,,,0.0,,,,,,,,,,,0.0,,,
CCC(C)(C)NC(=O)C(c1cccn1C)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21,CID654485,,,,,,,,,,0.0,,0.0,,,,,
CCC(C)(C)NC(=O)C(c1cccn1C)N(Cc1ccc(C)cc1)C(=O)Cn1nnc2ccccc21,CID652037,,,,,,,,,,,,0.0,,,,,
CCC(C)(C)NC(=O)C(c1cccn1C)N(Cc1ccc(OC)cc1)C(=O)Cn1nnc2ccccc21,CID3198730,,,,,,,,,,0.0,,0.0,,,,,
Cc1ccc(C(c2nnnn2CS(=O)(=O)c2ccc(C)cc2)N2CCN(c3ncccn3)CC2)cc1,CID3219003,,,,,,,,,,,0.0,,,,,,
COc1ccc(C(c2nnnn2CS(=O)(=O)c2ccc(C)cc2)N2CCN(c3ncccn3)CC2)cc1,CID3219004,,,,,,,,,,,0.0,,,,,,
Cc1ccc(S(=O)(=O)Cn2nnnc2C(c2ccccc2)N2CCN(c3ncccn3)CC2)cc1,CID651555,,,,,,,,,,,,0.0,,,,,
Cc1cccc(-c2noc(CN(C(=O)c3ccc4c(c3)OCO4)C(C)C)n2)c1,CID2236868,0.0,,0.0,,0.0,,,,0.0,,,,,0.0,,,
O=C(NCc1nc(-c2ccccc2)no1)c1ccc2c(c1)OCO2,CID2231244,0.0,0.0,,,,,,0.0,0.0,,,,0.0,,,,
CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc2c(c1)OCO2,CID2215334,0.0,,,,0.0,,0.0,0.0,0.0,,,,,0.0,,0.0,
CCOc1ccccc1N1CCN(CC(=O)Nc2nnc(CC)s2)CC1,CID646185,,0.0,0.0,0.0,,,,0.0,,,,,0.0,,,0.0,
CCc1nnc(NC(=O)CN2CCN(c3ccc(Cl)cc3)CC2)s1,CID1443666,,,,,,,,,,,0.0,0.0,,,,,
CCc1nnc(NC(=O)CN2CCN(c3cccc(OC)c3)CC2)s1,CID1452080,,,,,,,,,,0.0,,,,,,,
O=C(Cc1c[nH]c2ccccc12)Nc1nccs1,CID2107455,,0.0,0.0,0.0,,,,,,,,,0.0,,,,0.0
Cc1csc(NC(=O)Cc2c[nH]c3ccccc23)n1,CID2107595,,,,,,,,,,,0.0,,,,,,
Cc1cnc(NC(=O)Cc2c[nH]c3ccccc23)s1,CID2114820,,,,,,,,,,,0.0,,,,,,
Cc1ccc(NC(=O)CCN2C(=O)c3ccncc3C2=O)cc1,CID3238069,,0.0,0.0,0.0,,,,,,,,,0.0,,,0.0,
Cc1cc(Br)ccc1NC(=O)CCN1C(=O)c2ccncc2C1=O,CID3237444,,,,,,,,,0.0,,,0.0,,,,0.0,0.0
O=C(CCN1C(=O)c2ccncc2C1=O)Nc1cc(F)ccc1F,CID1502163,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1c(C)[nH]c(C(=O)CN2CC(C)OC(C)C2)c1C,CID2997825,,,0.0,0.0,,0.0,0.0,0.0,,,,,,,,,0.0
CCOC(=O)c1c(C)[nH]c(C(=O)CN2CCOCC2)c1C,CID1537068,,,,,0.0,,,,,,,,,,,,
COC(=O)c1c(C)[nH]c(C(=O)CN2CCOCC2)c1C,CID705151,,,,,0.0,,,,,,,,0.0,,,,
CCCC(c1nnnn1CCc1ccccc1)N1CCN(C(=O)c2ccco2)CC1,CID646728,,0.0,,,,,0.0,,,,,,,,,,
CC(C)C(c1nnnn1CCc1ccccc1)N1CCN(C(=O)c2ccco2)CC1,CID648125,,,,,,,,,,0.0,,,,,,,0.0
CC(C)CC(c1nnnn1CCc1ccccc1)N1CCN(C(=O)c2ccco2)CC1,CID650696,,,,,,,,,,0.0,,,,,,,0.0
CCOC(=O)c1cnc(SCC(=O)NCc2cccs2)nc1N,CID647238,,0.0,0.0,,,,,,0.0,,,,0.0,,,0.0,
O=C(CSc1ncccn1)NCc1cccs1,CID2379608,,,,,,,,,,,,,,0.0,0.0,,
Cc1nc(SCC(=O)NCc2cccs2)nc(C)c1C,CID2482888,,,,,,,,,,,,,,0.0,0.0,,
CCOC(=O)C1CCCN(c2cc(C)nc3cc(-c4ccc(F)cc4)nn23)C1,CID649990,,,,,,0.0,,,,,,0.0,,,,,
CCC1CCCCN1c1cc(C)nc2cc(-c3cccc(C)c3)nn12,CID3229910,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C1CCN(c2cc(C)nc3cc(-c4cccc(F)c4)nn23)CC1,CID646368,,0.0,,,,,,0.0,,,,0.0,,,,,
Cc1ccc(Nc2nc3no[nH]c-3nc2=O)cc1C,CID569649,,,,0.0,,,0.0,,,,,,0.0,,0.0,,
Cc1ccc(Nc2nc3no[nH]c-3nc2=O)cc1,CID658698,,0.0,,0.0,,,,,,,,0.0,,0.0,,,
Cc1ccc(Nc2nc3no[nH]c-3nc2=O)cc1Cl,CID686099,,,,,,,,,,,,,,,0.0,,
CCOc1cc(C2C(C(=O)N3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1O,CID656244,,,,,,,,,,,,0.0,,,,,
CCOc1cc(C2C(C(=O)N3CCCCC3)=C(C)NC3=C2C(=O)CCC3)cc(Br)c1O,CID2938951,0.0,,,,,,0.0,,,,,0.0,,,,0.0,0.0
COc1cc(C2C(C(=O)N3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1O,CID645400,,,0.0,,,0.0,,,,,,0.0,0.0,,,,0.0
CCOc1ccccc1CN(Cc1ccco1)S(=O)(=O)c1ccc(-n2cnnn2)c(OC)c1,CID656249,0.0,,0.0,,,,,0.0,,,,,,,,,0.0
COc1cc(S(=O)(=O)N(Cc2ccc(C)cc2)Cc2ccco2)ccc1-n1cnnn1,CID1177014,,,,,,,,,,,0.0,,,,,,
COc1ccccc1CN(Cc1ccco1)S(=O)(=O)c1ccc(-n2cnnn2)c(OC)c1,CID654252,,,0.0,,,,,,,,,,,,,,
Cc1ccc(C(=O)N2CCN(c3ncccn3)CC2)o1,CID4582524,,,,,,,,,,,,,,,0.0,,
O=C(c1ccco1)N1CCN(c2ncccn2)CC1,CID4452348,,0.0,,,,,0.0,0.0,,,,,,,,,
O=C(c1ccc(Br)o1)N1CCN(c2ncccn2)CC1,CID896003,,,,,,,,,0.0,,,0.0,,,,,
Nc1nnc(SCCOc2ccc(Br)cc2)s1,CID2379640,,,,,,,,,,,,0.0,,,,,
Nc1nnc(SCCOc2ccccc2)s1,CID659931,,0.0,0.0,,0.0,,,,,,,,,,,,
CCCOc1ccc(OCCSc2nnc(N)s2)cc1,CID2456618,,,,,,,,,0.0,,0.0,,,,,,
CCOC(=O)N1CCC(NC(=O)CSc2cc(=O)n(C)c3ccccc23)CC1,CID3241281,0.0,,0.0,,,,,,,,,,,,,0.0,
CCOC(=O)N1CCC(NC(=O)CSc2cc(=O)n(C)c3ccc(Cl)cc23)CC1,CID3237891,0.0,0.0,0.0,,0.0,,,,,,,,0.0,,,,
CCOC(=O)N1CCC(NC(=O)CSc2cc(=O)n(CC)c3ccccc23)CC1,CID3243687,,,,,,0.0,,0.0,,,,,,,0.0,,
O=C(c1cccs1)N1CCN(C/C=C/c2ccccc2)CC1,CID752925,0.0,0.0,,0.0,,,0.0,,,0.0,,0.0,,,,,
O=C(c1cc(Br)c(Br)s1)N1CCN(C/C=C/c2ccccc2)CC1,CID5873782,,,,,,,,,0.0,,,,,,,,
O=C(c1ccc(Br)s1)N1CCN(C/C=C/c2ccccc2)CC1,CID1246367,,,,,,,,,0.0,,0.0,,,,,,
CCOCCCNC(=O)C1c2ccccc2C(=O)N2CCc3ccccc3C12,CID3241282,,,,,,0.0,,,,,,,,,,,
CCN(CC)CCNC(=O)C1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3C12,CID3238931,,0.0,,,,,,0.0,,,,,,,,,
CCCCN(CC)CCNC(=O)C1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3C12,CID3240041,,,,,,0.0,,,,,,,,,,,
COc1cccc(COCCN2CCN(S(=O)(=O)c3ccc(C)cc3)CCC2=O)c1,CID6096699,,,,,,,,,,,,,,,0.0,,
Cc1ccc(S(=O)(=O)N2CCC(=O)N(CCOCc3cccc(C)c3)CC2)cc1,CID6096618,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)N2CCC(=O)N(CCOCc3cccc(F)c3)CC2)cc1,CID6096711,,,,,,,,,,,,,,0.0,,,
CC(Sc1nnnn1C)C(=O)Nc1ccc(Oc2ccccc2)cc1,CID2999605,,0.0,0.0,,0.0,,0.0,0.0,,0.0,,,0.0,,,0.0,
Cn1nnnc1SCC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1,CID1301813,,0.0,,0.0,0.0,,,,,,,0.0,,,,,0.0
Cn1nnnc1SCC(=O)Nc1ccc(Oc2ccccc2)cc1,CID853705,,0.0,,,0.0,,,,,,,,0.0,,0.0,0.0,
CC(C)(C)NC(=O)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1,CID3153437,,,,,,,,,0.0,,,,,,,,
NC(=O)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1,CID1082900,,,,,,,,,0.0,,,,,,,,
CC(C)NC(=O)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1,CID1004009,,,,,,,,,0.0,,,,,,,,
C=CCn1c(-c2ccco2)n[nH]c1=S,CID706129,,0.0,,0.0,,0.0,,,,0.0,,0.0,0.0,,,,
CCn1c(-c2ccco2)n[nH]c1=S,CID661042,,,,0.0,,,,,,,,,,,,,0.0
CC(C)Cn1c(-c2ccco2)n[nH]c1=S,CID843761,,,,,,,,,,,0.0,,,,,,
CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(Br)o1,CID2055188,0.0,,,,,,0.0,,0.0,,0.0,0.0,,,,,0.0
Cc1cccc(-c2noc(CN(C(=O)c3ccc(Br)o3)C(C)C)n2)c1,CID2980971,,,,,,,0.0,,0.0,,0.0,0.0,,,0.0,0.0,
O=C(NCc1nc(-c2ccccc2)no1)c1ccc(Br)o1,CID1251663,0.0,,,,,,0.0,,,,,0.0,,,,0.0,0.0
CC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccncc2)cc1,CID737593,,,,,,,,,,,,,,0.0,0.0,,
C/C(=N\NC(=O)c1ccncc1)c1ccc(N(C)C)cc1,CID739352,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccncc1,CID1490848,,,,,,,,,,,,0.0,,,0.0,,
Cc1cccc(-n2nnnc2SC(C)C(=O)NCCC2=CCCCC2)c1,CID3000218,,,,,0.0,,0.0,,,,0.0,,,,,,
Cc1ccc(C)c(-n2nnnc2SCC(=O)NCCC2=CCCCC2)c1,CID2084670,0.0,0.0,,,0.0,,0.0,0.0,,,0.0,,,,,,
Cc1ccc(-n2nnnc2SCC(=O)NCCC2=CCCCC2)c(C)c1,CID2532093,,0.0,,,0.0,,0.0,0.0,,,0.0,,,,,0.0,
O=S(=O)(c1cc(-c2nc3ccccc3s2)ccc1Cl)N1CCOCC1,CID1256690,,,,,,,,,,,,,,0.0,,,
Cc1ccc(-c2nc3ccccc3s2)cc1S(=O)(=O)N1CCOCC1,CID1252182,,,,,,,,,0.0,0.0,0.0,,,0.0,,,
O=S(=O)(c1cccc(-c2nc3ccccc3s2)c1)N1CCOCC1,CID1526383,,,,,,,,,,,,,,0.0,,,
O=C(CSCc1c(F)cccc1Cl)NCC1CCCO1,CID2969276,,,,,,,,,,0.0,,,,,,,
O=C(CSCc1c(Cl)cccc1Cl)NCC1CCCO1,CID2947787,,,,,,,,,,0.0,,,,,,,
O=C(CSCc1ccc(Cl)cc1)NCC1CCCO1,CID2896894,,0.0,,,,,,,,0.0,,,0.0,0.0,,,
CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(c3cccs3)C2C1,CID5284728,,,,,,,,,,,,0.0,,,,,
CC(C)(C)OC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(c3cccs3)C2C1,CID653707,,,0.0,,,,0.0,0.0,,,,,,,,,
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(c3cccs3)C2C1,CID658037,,0.0,,0.0,,,,0.0,,,,,,,,,0.0
CC(O)Cc1nsc(NC(=O)c2ccc(Br)o2)n1,CID3239593,,,,,,,0.0,,,,,,,,,0.0,
CC(=O)Cc1nsc(NC(=O)c2ccc(Br)o2)n1,CID866935,0.0,,,,,,,,0.0,,0.0,,,,,0.0,0.0
CC(=O)Cc1nsc(NC(=O)c2ccco2)n1,CID2112169,,,,,,,,,,,,0.0,,,,,
COc1ccccc1/C=C1\SC(=S)N(Nc2nc(C)cc(C)n2)C1=O,CID2251640,,,,,,,,,,,,,,0.0,0.0,,
Cc1cc(C)nc(NN2C(=O)/C(=C/c3ccccc3)SC2=S)n1,CID5345636,,,,,,0.0,,,,,,,,,,,
Cc1cc(C)nc(NN2C(=O)/C(=C/c3ccc(O)cc3)SC2=S)n1,CID2248574,,,,,,0.0,,,,,,,,0.0,,,
CN1C(=O)CC(N2CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O,CID2877335,,,0.0,,,,,,,0.0,,,,,,,0.0
O=C1CC(N2CCN(C(c3ccccc3)c3ccccc3)CC2)C(=O)N1,CID2877676,0.0,0.0,,0.0,,0.0,,,,0.0,,,0.0,,,,0.0
CCN1C(=O)CC(N2CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O,CID2877708,,,0.0,,,,0.0,0.0,,0.0,0.0,,0.0,,,,0.0
Cc1cc(=O)nc(SCC(=O)N2CCCc3ccccc32)[nH]1,CID776465,,,,,,,,,0.0,0.0,,,,,,,
CCCc1cc(=O)nc(SCC(=O)N2CCCc3ccccc32)[nH]1,CID1084800,,,,,,,,,,,,,,0.0,,,
Nc1cc(=O)nc(SCC(=O)N2CCCc3ccccc32)[nH]1,CID844168,,,,,,,,,,0.0,,0.0,,,,,
CCOC(=O)Cn1c(S(=O)(=O)Cc2ccc(Cl)cc2)nc(-c2ccccc2)c1-c1ccccc1,CID1479313,,,,,,0.0,,,,,,,,,,,
C#CCn1c(S(=O)(=O)Cc2ccc(C)cc2)nc(-c2ccccc2)c1-c1ccccc1,CID1479311,,,,,,0.0,,,,,,,,,,,
C#CCn1c(S(=O)(=O)Cc2ccc(OC)cc2)nc(-c2ccccc2)c1-c1ccccc1,CID1476586,,,,,,0.0,,,,,,,,,,,
COc1cccc2c(=O)n(CC(=O)N3CCCCC3)ccc12,CID2145341,,,,,,,,,,,,0.0,,,,,
COc1cccc2c(=O)n(CC(=O)N3CCC(C)CC3)ccc12,CID2145344,,,,,,,,,,,,,,0.0,,,
CCOC(=O)COc1cccc2c(=O)n(CC(=O)N3CCC(C)CC3)ccc12,CID2149375,,,,,,,,,,,,,,,0.0,,
O=C1CCC([N+](=O)[O-])C(c2ccc(Cl)cc2)N1,CID2731805,,,,,,,,,,0.0,,,,,,,
O=C1CCC([N+](=O)[O-])C(c2ccccc2Cl)N1,CID332175,,,,,,,,,,,,,,0.0,,,
CCCCN1C(=O)CCC(C(=O)O)C1c1ccccc1,CID4309781,,,,,,0.0,,,,,,,,,,,
COc1ccc(OC)c2c1s/c(=N\C(=O)c1ccco1)n2C,CID2159338,,,,,,,0.0,0.0,,,,,0.0,,,,
Cn1/c(=N/C(=O)c2ccco2)sc2cccc(F)c21,CID2159198,,,0.0,,,,,,,,,,,,,,
CCn1/c(=N/C(=O)c2ccco2)sc2cccc(F)c21,CID2159206,,,,,,,,,,,0.0,,,,,,
CCC(=O)N1CCn2c1nc1ccccc12,CID791786,,,,,,0.0,,,,,,,,,,,
N#CCC(=O)N1CCn2c1nc1ccccc12,CID2999881,,0.0,,0.0,,,,,,,,0.0,0.0,,,,
N#CCCN1CCn2c1nc1ccccc12,CID659531,,0.0,,0.0,,,,,,,,,0.0,,,,
Nc1nnc(SCC(=O)Nc2ccccc2N2CCOCC2)s1,CID1290683,,0.0,0.0,,,,,,0.0,,,,,0.0,,,
Nc1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)s1,CID2235108,,,,,,,,,,0.0,,,,,,,
Cc1nnc(SCC(=O)Nc2ccccc2N2CCOCC2)s1,CID1286653,0.0,0.0,0.0,,0.0,,0.0,,,0.0,,,0.0,,,,0.0
O=C(Nc1ccccc1C(=O)NCC1CCCO1)c1ccco1,CID2940948,0.0,,,0.0,,,,,,,,,,,,,0.0
O=C(Nc1ccc(Cl)cc1C(=O)NCC1CCCO1)c1ccco1,CID2941117,,0.0,,,,,0.0,,0.0,,,,0.0,,,0.0,
O=C(Nc1c(Cl)cc(Cl)cc1C(=O)NCC1CCCO1)c1ccco1,CID648534,0.0,0.0,,0.0,,,,,,,,,,,,,
COCCCn1c(SCC(=O)N2CCCC(C)C2)nnc1-c1ccco1,CID649502,,0.0,,,,,,,,,,,,,,,0.0
COCCCn1c(SCC(=O)N2CCCCC2C)nnc1-c1ccco1,CID654358,,0.0,,,,0.0,,,,,,,,,,,
CCCn1c(SCC(=O)N2CCCCC2)nnc1-c1ccco1,CID656104,0.0,,,,0.0,0.0,,,,,,,,0.0,,,
Cc1cccc(/C=N/NC(=O)c2sccc2-n2cccc2)c1,CID1481268,,,,,,,,,,,,,,,0.0,,
O=C(N/N=C/c1ccccc1)c1sccc1-n1cccc1,CID1481217,,,,,,0.0,,,,,,,,,,,
COc1ccc(/C(C)=N/NC(=O)c2sccc2-n2cccc2)cc1,CID1484922,,,,,,,,,,,,,,0.0,,,
Cc1ccc2c(C(=O)CN3CCN(C4CCCCC4)CC3)c(C)[nH]c2c1,CID660178,0.0,,0.0,,,,,,,,,0.0,0.0,,,0.0,
COc1ccc2[nH]cc(C(=O)CN3CCN(C4CCCCC4)CC3)c2c1,CID659165,0.0,,0.0,,,,,,,,,,,,,,0.0
Cc1[nH]c2ccccc2c1C(=O)CN1CCN(C2CCCCC2)CC1,CID659358,0.0,,,,,,,,,,0.0,,0.0,,,,
COc1ccc(CN2CC(C(=O)NCCc3ccc(C)cc3)CC2=O)cc1,CID4229957,,,,,,0.0,,,,,,,,,,,
COc1ccc(CN2CC(C(=O)NCCc3ccccc3)CC2=O)cc1,CID4229959,,,,,,,,,,,0.0,,,0.0,,,
COc1ccc(C(CNC(=O)C2CC(=O)N(Cc3ccc(C)cc3)C2)N(C)C)cc1,CID2998971,,,0.0,,,,0.0,,,,,,,,,,
O=C(NC1CCCCCC1)c1c(F)c(F)c(F)c(F)c1F,CID606840,,,,,,,,,0.0,,,,,,,,0.0
CN(C)c1cccc(C(=O)NC2CCCCCC2)c1,CID869220,,,,,0.0,,,,,,,,0.0,0.0,,0.0,
COc1cc(OC)c(C(=O)NC2CCCCCC2)cc1OC,CID912400,,0.0,,,,,,,,,,,0.0,,,,
COc1ccc(/C=N/NC(=O)Cn2cnc3ccccc3c2=O)cc1,CID729518,,,,,,,,,,,,,,0.0,,,
COc1ccc(/C=N/NC(=O)C(C)n2cnc3ccccc3c2=O)cc1,CID2790516,,,,,,,,,,,,,,0.0,,,
COc1ccc(/C=N/NC(=O)Cn2cnc3ccccc3c2=O)cc1OC,CID1036533,,,,,,,,,,,,,,,0.0,,
Cc1cccc2c1N(CC(=O)OC(C)C)C(=O)C2=O,CID3157314,,,,,,,,0.0,,,,,,,,0.0,
CCOC(=O)CN1C(=O)C(=O)c2cc(C)ccc21,CID3156770,,,,,,0.0,,,,,,,,,,,
CCOC(=O)CN1C(=O)C(=O)c2cccc(C)c21,CID2141777,,,,,,,,,,,,0.0,,,,,
O=C1C(Cl)=C(NCc2ccccc2)C(=O)N1c1ccccc1,CID720232,,,,,,0.0,,,,,,,,,,,
COc1ccc(N2C(=O)C(Cl)=C(N(CCO)Cc3ccccc3)C2=O)cc1,CID650114,,0.0,,,,,,,,,,,,,,0.0,0.0
Cc1ccc(N2C(=O)C(Cl)=C(NCc3ccccc3)C2=O)c(C)c1,CID710575,,,,,,0.0,,,,,,,,,,,
Cc1ccc(NC(=O)NC2(C(=O)NCc3ccco3)CCCCC2)cc1,CID653418,0.0,,0.0,,,,,,0.0,,,0.0,0.0,,,0.0,0.0
O=C(Nc1ccccc1)NC1(C(=O)NCc2ccco2)CCCCC1,CID648655,0.0,,,,,,,,0.0,,,0.0,,,,0.0,0.0
O=C(Nc1ccc(F)cc1)NC1(C(=O)NCc2ccco2)CCCCC1,CID653838,,,,,,,0.0,,,,,,,,,0.0,
O=c1cc(-c2ccccc2)[nH]n1-c1ccccc1,CID245736,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1ccc(-n2[nH]c(-c3ccccc3)cc2=O)cc1,CID889901,,,0.0,,,,0.0,0.0,0.0,,,0.0,,0.0,,,
O=Nc1c(-c2ccccc2)[nH]n(-c2ccccc2)c1=O,CID3450311,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-n2nnnc2SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1C,CID1449718,,,,,,,,,,,,0.0,,,,,
Cc1cc(C)cc(-n2nnnc2SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1,CID1449684,,,,,,0.0,,,,,,,,,,,
Cc1cc(C)cc(-n2nnnc2SCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1,CID1449685,,,,,,0.0,,,,,,,,,,,
O=C(Nc1c(C(=O)NCc2ccco2)cnn1-c1ccccc1)c1ccc(F)cc1,CID1319133,0.0,,0.0,,,,,,,,,,,,,,
Cc1ccc(C(=O)Nc2c(C(=O)NCc3ccco3)cnn2-c2ccccc2)cc1,CID1037536,0.0,0.0,0.0,,,0.0,0.0,,,0.0,,0.0,,,,,0.0
O=C(Nc1c(C(=O)NCc2ccco2)cnn1-c1ccccc1)c1cccc(F)c1,CID1068291,0.0,0.0,0.0,,,,,,,,,,,,,,
O=C(COc1ncnc2ccc(Br)cc12)N1CCOCC1,CID2105249,0.0,,,,,,,,0.0,,0.0,0.0,,,,,0.0
O=C(COc1ncnc2ccccc12)N1CCOCC1,CID2383361,,0.0,0.0,,,,,,,,,,,,,,
CC1CN(C(=O)COc2ncnc3ccccc23)CC(C)O1,CID4875068,,,,,,0.0,,,,,,,,,,,
CCc1ccc2[nH]c(=O)c(CN(Cc3ccc4c(c3)OCO4)Cc3nnnn3C3CCCC3)cc2c1,CID646027,,,0.0,,,,,,,0.0,0.0,,0.0,,,,
Cc1cc2cc(CN(Cc3ccc4c(c3)OCO4)Cc3nnnn3C3CCCC3)c(=O)[nH]c2cc1C,CID652562,0.0,,,,,,,,0.0,0.0,,0.0,,,,,
Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccc4c(c3)OCO4)Cc3nnnn3C3CCCC3)cc2c1,CID649320,,,0.0,,,,,,,,,0.0,,,,,
CCOc1ccc(N(C(C)C(=O)NC2CCCCCC2)S(C)(=O)=O)cc1,CID2930263,,,,,,,,,,,,,0.0,,,,
COc1ccc(N(C(C)C(=O)NC2CCCCCC2)S(C)(=O)=O)cc1,CID2927621,,,,,,,,,,,,,0.0,,,,
CC(C(=O)NC1CCCCCC1)N(c1ccccc1)S(C)(=O)=O,CID2929548,,,,,,,,,,,0.0,,,0.0,,,
Cc1cc(C)cc(NC(=S)NCc2ccncc2)c1,CID2386389,,,,,,,,,,,,,,0.0,,,
COc1ccc(NC(=S)NC(C)c2ccncc2)cc1OC,CID2956389,,,,,,,,,,,,,,,0.0,,
CCN(Cc1ccncc1)C(=S)Nc1ccc(Cl)cc1,CID714726,,,,,,,,,,,,,,,0.0,,
O=C(NCCSCc1ccco1)Nc1cccc(Cl)c1,CID2227931,0.0,0.0,,,,,,,,0.0,,,,,,,0.0
O=C(NCCSCc1ccco1)Nc1ccc(Cl)cc1,CID2823303,0.0,,,,,,,,,0.0,,,,,,,
O=C(NCCSCc1ccco1)Nc1ccccc1,CID2283724,,,0.0,0.0,0.0,0.0,0.0,0.0,,,,,,,,,
Fc1ccc(Cn2c(-c3cscn3)nc3ccccc32)c(Cl)c1,CID738657,,,,,,0.0,,,,,,,,,,,
N#Cc1ccccc1Cn1c(-c2cscn2)nc2ccccc21,CID880814,0.0,0.0,,,,,0.0,,,,,,,,,,
Brc1ccccc1Cn1c(-c2cscn2)nc2ccccc21,CID1267558,,,,,,,,,0.0,,0.0,,,0.0,,,
CC(=O)c1ccc(NC(=O)C(Cc2ccccc2)NC(=O)c2ccco2)cc1,CID4877285,,,,,,,,,0.0,,,,,,,,
COc1ccc(NC(=O)C(Cc2ccccc2)NC(=O)c2ccco2)cc1OC,CID2958111,,,0.0,,,,,0.0,0.0,,0.0,,0.0,,,,
Cc1ccc(NC(=O)C(Cc2ccccc2)NC(=O)c2ccco2)cc1,CID2955621,,,,,,,,,0.0,,,0.0,,,,,
C=CCSc1nnc(NC(=O)CSc2nc3ccccc3[nH]2)s1,CID2223132,,,,,,,,,,,,0.0,,,,,
CCCc1nnc(NC(=O)CSc2nc3ccccc3[nH]2)s1,CID766872,,,,,,,,,,,,,,0.0,,,
Cc1ccc2nc(SCC(=O)Nc3nnc(SCC(N)=O)s3)[nH]c2c1,CID2223163,,,,,,,,,,,,0.0,,,,,
CNC(=O)CC1C(=O)N(C)C(=S)N1NC(=O)c1ccc(Cl)cc1,CID2892249,,,,,,,,,,,0.0,,,,,,
CCN1C(=O)C(CC(=O)NC)N(NC(=O)c2ccccc2)C1=S,CID569623,,,,,,,,,,,,,,,0.0,,
CN1C(=O)C(CC(N)=O)N(NC(=O)c2ccc(Cl)cc2)C1=S,CID4638138,,,,,,,,,,0.0,,,,,,,
Cc1ccc2nc(NC(=O)CCNS(=O)(=O)c3cccs3)sc2c1,CID3244130,,,,,0.0,,,,,,,,,,,,
Cc1cccc2sc(NC(=O)CCNS(=O)(=O)c3cccs3)nc12,CID3240896,,,0.0,,0.0,,,,,,,,0.0,,,,
Cc1ccc2nc(NC(=O)CCNS(=O)(=O)c3ccc(Br)s3)sc2c1,CID3243081,,,,,0.0,,,,,,,,,,,,
Cc1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccco3)c2)CC1,CID2915466,,,,,,0.0,,,,,,,,,,,
O=C(c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccco3)c2)CC1,CID2906194,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCc4ccco4)c3)CC2)cc1,CID2906460,,,,,,,,,,,,0.0,,,,,
Cc1ccccc1NC(=S)N1CCCC(c2nc3ccccc3[nH]2)C1,CID3223944,,,,,,,,,,,,,,,0.0,,
Cc1cc2nc(C3CCCN(C(=S)Nc4ccccc4)C3)[nH]c2cc1C,CID3223889,,,,,,0.0,,,,,,,,,,,
Cc1ccc2nc(C3CCCN(C(=S)Nc4cccc(C)c4C)C3)[nH]c2c1,CID3223980,,,,,,0.0,,,,,,,,,,,
COC(=O)c1ccc(Cn2cnc3c(cnn3-c3ccc(C)c(C)c3)c2=O)o1,CID3242586,0.0,,,,,,0.0,,0.0,,,,,,,,
COC(=O)c1ccc(Cn2cnc3c(cnn3-c3ccc(Cl)cc3)c2=O)o1,CID3241201,0.0,,,,,,,,,,,,,,,,
O=c1c2cnn(-c3ccccc3)c2ncn1Cc1ccco1,CID1970162,,,,,,,,,,,,,,,0.0,,
CN(C(=O)NC(=O)C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1)S(C)(=O)=O,CID2316674,,,0.0,0.0,,,,0.0,,,,,0.0,,,,
CCOC(=O)C(=O)C1=C(N2CCOCC2)/C(=C\c2cccc([N+](=O)[O-])c2)CC1,CID2097954,,,,,,,,,,,,,,,0.0,,
CCCCN(C(=O)NC(=O)C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1)S(C)(=O)=O,CID2314524,,,0.0,,0.0,0.0,,,,,,,0.0,,,,0.0
Cn1cnnc1SC1CCCCC1NS(=O)(=O)c1ccc(Cl)cc1,CID2942218,,,,,,,,,0.0,,,,,,,,
Cn1cnnc1SC1CCCCC1NS(=O)(=O)c1ccccc1,CID2948003,,,,,,0.0,,,0.0,0.0,,,,,,,
Nn1cnnc1SC1CCCCC1NS(=O)(=O)c1ccccc1,CID2948310,,0.0,,0.0,,,,,0.0,0.0,,,,,,0.0,
Cc1ccc(Cl)c(OC(=O)c2nn(C(C)C)c(=O)c3ccccc23)c1,CID2673599,,,,,,,,,,,,,,0.0,,,
CC(C)n1nc(C(=O)Oc2cccc(Cl)c2Cl)c2ccccc2c1=O,CID2707343,,,,,,,,,,,,,,,0.0,,
O=C(Oc1ccc(Br)cc1)c1n[nH]c(=O)c2ccccc12,CID1218757,,,,,,,,,,,,,,,0.0,,
Cc1ccc(-c2cc(-c3nnc(SCC(=O)NCC(C)C)n3N)c3ccccc3n2)cc1,CID2559147,,,,,,,,,,,,0.0,,,,,
Cc1ccc(-c2cc(-c3nnc(SCC(=O)N(C)CCC#N)n3N)c3ccccc3n2)cc1,CID2099488,0.0,,0.0,,0.0,,,,,,,,0.0,,,0.0,
Cc1ccc(-c2cc(-c3nnc(SCC(=O)NC(C)C(C)C)n3N)c3ccccc3n2)cc1,CID3627652,,,,,,,,,,0.0,,,,,,,
CN(CC(=O)NCCc1ccccc1)S(=O)(=O)c1cccc2nsnc12,CID9551547,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(CCNC(=O)CN(C)S(=O)(=O)c2cccc3nsnc23)cc1OCC,CID3240888,,,,,0.0,0.0,,,,,0.0,,,,,0.0,
COc1ccc(CCNC(=O)CN(C)S(=O)(=O)c2cccc3nsnc23)cc1OC,CID3237313,,,,,0.0,,,,,,0.0,,,,,0.0,
COc1ccc2[nH]cc(S(=O)(=O)c3ccc(F)cc3)c(=O)c2c1,CID9551540,,,,,,,,,,,,0.0,,,,,
CCOc1ccc2[nH]cc(S(=O)(=O)c3ccc(F)cc3)c(=O)c2c1,CID6324555,,,,,,,0.0,0.0,,,,,,,,,
CCOc1ccc2[nH]cc(S(=O)(=O)c3ccc(C)cc3)c(=O)c2c1,CID2137842,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nc(=O)c4ccccc4[nH]3)CC2)c(C)c1,CID2128400,,0.0,,0.0,0.0,,0.0,0.0,,,,,,,,0.0,0.0
O=C(CSc1nc(=O)c2ccccc2[nH]1)N1CCN(S(=O)(=O)c2ccccc2)CC1,CID2429155,,,,,,0.0,,,,,0.0,,,0.0,,,
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nc(=O)c4ccccc4[nH]3)CC2)cc1,CID2095880,,,,0.0,0.0,,,0.0,,,,,0.0,,,0.0,0.0
CN1CCN(C(=O)c2cc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)CC1,CID1015601,,,,,0.0,,,,,,,,,,,,
CCN1CCN(C(=O)c2cc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)CC1,CID1251997,,,,,0.0,,,,,,,,,,,,
CN1CCN(C(=O)c2cc3nc(-c4ccc(F)cc4)cc(C(F)(F)F)n3n2)CC1,CID1110947,0.0,,,,0.0,,,,0.0,,,,,,,,0.0
Cc1cccc2cc(C#N)c(SCC(=O)N3CC(=O)Nc4ccccc43)nc12,CID644956,,0.0,,,,0.0,,,,,,,,,,,0.0
Cc1cc(C)c2nc(SCC(=O)N3CC(=O)Nc4ccccc43)c(C#N)cc2c1,CID1450163,,,,,,,,,0.0,,,,,,,,
CCc1ccc2nc(SCC(=O)N3CC(=O)Nc4ccccc43)c(C#N)cc2c1,CID3207576,,,,,,,,,0.0,,,,,,,,
Cc1ccc2c3c(c(SCC(=O)Nc4nonc4C)nc2c1)CCCC3,CID644957,,0.0,,,,,0.0,,0.0,,,,,,,0.0,
Cc1nonc1NC(=O)CSc1nc2cc(Cl)ccc2c2c1CCCC2,CID650995,,0.0,,,0.0,,,,,,,,,,,,0.0
Cc1cc2nc(SCC(=O)Nc3nonc3C)c3c(c2cc1C)CCCC3,CID651110,,,0.0,,,0.0,0.0,,0.0,,0.0,,0.0,,,0.0,
COc1cccc(-c2cn3nc4c(nc3n2)CCCC4)c1,CID624478,,0.0,,0.0,,,,,,,,,,,,,
Brc1ccc(-c2cn3nc4c(nc3n2)CCCC4)cc1,CID630093,,,,,,,,,0.0,,0.0,0.0,,,0.0,,
COc1ccc(-c2cn3nc4c(nc3n2)CCCC4)cc1,CID624456,,,,,,0.0,,,,,,0.0,,,,,
COc1ccc2nc(NC3=NCN(CC4CCCO4)CN3)nc(C)c2c1,CID651173,,0.0,,0.0,,,0.0,,,,0.0,,,,,,
Cc1nc(NC2=NCN(CC3CCCO3)CN2)nc2ccccc12,CID654280,,0.0,,,,,,,,,,,,,,,
CCOc1ccc2nc(NC3=NCN(CC4CCCO4)CN3)nc(C)c2c1,CID664986,,0.0,,,,,,,,,,,,,,,
COc1ccc(-n2c(SCC(=O)NCc3cccs3)nnc2-c2ccoc2C)cc1,CID653994,,,0.0,0.0,0.0,,,,,0.0,,,,0.0,,,
Cc1occc1-c1nnc(SCC(=O)NCc2cccs2)n1-c1ccc(F)cc1,CID650509,,,,,0.0,0.0,,,,0.0,,,0.0,,,,
Cc1ccc(-n2c(SCC(=O)NCc3cccs3)nnc2-c2ccoc2C)cc1,CID645038,,,0.0,,0.0,0.0,,,,0.0,,,,0.0,,,
COc1ccc(/C=N/NC(=O)CSc2nnc(C)n2-c2ccccc2)c(OC)c1OC,CID2163433,,,,,,0.0,,,,,,,,,,,
COc1ccc(OC)c(/C=N/NC(=O)CSc2nnc(C)n2-c2ccccc2)c1,CID1365889,,,,,,0.0,,,,,,,,,,,
COc1cccc(/C=N/NC(=O)CSc2nnc(C)n2-c2ccccc2)c1OC,CID1366304,,,,,,0.0,,,,,,,,,,,
O=C1C2Sc3[nH]c(=O)sc3C(c3ccccc3)C2C(=O)N1c1ccccc1,CID4594436,,,,,,0.0,,,,,,,,,,,
O=C1C2Sc3[nH]c(=O)sc3C(c3ccccc3)C2C(=O)N1c1ccc(Cl)cc1,CID3647260,,,,,,,,,,,,0.0,,0.0,0.0,,
COc1ccc(C2c3sc(=O)[nH]c3SC3C(=O)N(c4ccccc4)C(=O)C32)cc1,CID4269674,,,0.0,,,,,,,,,,,,,,
COC(=O)c1cc(=O)n2c(-c3ccc(OC)cc3)csc2n1,CID659341,,,,0.0,,,,,0.0,,,0.0,,0.0,,0.0,0.0
COc1cc(=O)n2c(-c3ccccc3)csc2n1,CID658148,,,0.0,,,,0.0,0.0,,,,0.0,,,,,
COC(=O)c1cc(=O)n2c(-c3ccccc3)csc2n1,CID672161,,0.0,0.0,,,,0.0,0.0,,,0.0,,,0.0,,,
CCc1nnc(NC(=O)c2c(O)n3c4c(cccc4c2=O)CC3)s1,CID655330,,0.0,0.0,,,,,,0.0,,0.0,,,,,0.0,
CCCc1nnc(NC(=O)c2c(O)n3c4c(cccc4c2=O)CC3)s1,CID653870,,0.0,,,,,,0.0,0.0,,,,,,,,0.0
CC(C)c1nnc(NC(=O)c2c(O)n3c4c(cccc4c2=O)CC3)s1,CID652139,,0.0,0.0,0.0,,,,,0.0,,,,0.0,,,0.0,
O=C1CCCN1CCCNc1ncnc2c1cnn2-c1ccc(Cl)cc1,CID1981599,0.0,0.0,0.0,,,,0.0,,,,,,,,,,0.0
Cc1ccc(-n2ncc3c(NCCCN4CCCC4=O)ncnc32)c(C)c1,CID661267,,,,0.0,,,,,,,,,,,,,
Cc1cccc(-n2ncc3c(NCCCN4CCCC4=O)ncnc32)c1,CID1829290,,,,,,,,,,,,0.0,,,,,
CCCCN1C(=O)NC(=O)/C(=C(/CC)NCCN2CCOCC2)C1=O,CID6054155,,,,,,,,,,,,0.0,,,,,
CCCCN1C(=O)NC(=O)/C(=C(/C)NCCN2CCOCC2)C1=O,CID5857014,,,,,,,,,,,,0.0,,,,,
C=CCN1C(=O)NC(=O)/C(=C(/C)NCCN2CCOCC2)C1=O,CID5389634,,,,0.0,,,,,,,0.0,,,,,,
COc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C(C)=O,CID2314340,,,,0.0,,,0.0,0.0,,,,0.0,,,,,
COc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C,CID775733,,,,,,,,,,,,,,0.0,,,
Nc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2,CID653405,,,,0.0,0.0,,,,,,,,,,,,
COc1ccc(/C=N/NC(=O)CSc2ccccc2)cc1OC,CID1237293,,,,,,,,,,,,,,0.0,,,
COc1cccc(/C=N/NC(=O)CSc2ccccc2C)c1OC,CID831205,,,,,,,,,,,,,,,0.0,,
COc1cccc(/C=N/NC(=O)C(C)Sc2ccccc2)c1,CID3110439,,,,,,,,,,,,,,,0.0,,
CCCCCOC(=O)C1=C(C)N=C2N=CNN2C1c1cccs1,CID6113169,,,,,,,,,,,,,,,0.0,,
CC1=C(C(=O)OC(C)C)C(c2cccs2)N2NC=NC2=N1,CID5309139,,,0.0,,,,,0.0,,,,,,,,,
C=CCOC(=O)C1=C(C)N=C2N=CNN2C1c1cccs1,CID5818594,,,,,,0.0,,,,,,,,,0.0,,
C#Cc1ccc(C2C=C(C(=O)N3CCOCC3)OC(OCC)C2CCCO)cc1,CID16195765,,,,,,,,,,,,,,,0.0,,
O=C(C1=CC(c2ccc(Br)cc2)CC(OCCCCO)O1)N1CCOCC1,CID16195775,,,,,,,,,,,,,,0.0,,,
CCOC1OC(C(=O)N2CCOCC2)=CC(c2ccc(C(F)(F)F)cc2)C1CCCO,CID16195773,,,,,,,,,,,,,,0.0,,,
CCOc1cccc2s/c(=N\C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)n(C)c12,CID5118082,,,,,,0.0,,,,,,,,,,,
COc1cccc2s/c(=N\C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)n(C)c12,CID3243587,,,0.0,,0.0,,,,,,,,0.0,,,,0.0
CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2cccc(OC)c21,CID3241199,,,,,0.0,0.0,,,,0.0,,,,,,,
Cc1cc(C(C)(C)C)oc1C(=O)N(CC(=O)NC1CCCC1)Cc1ccc(F)cc1,CID1455001,,,,,,,,,,,,0.0,,,,,
Cc1cc(C(C)(C)C)oc1C(=O)N(CC(=O)NC1CCCC1)Cc1ccccc1,CID1455103,,,,,,,,,,,,0.0,,,,,
Cc1cc(C(C)(C)C)oc1C(=O)N(CC(=O)NC1CCCC1)Cc1ccccc1Cl,CID1454992,,,,,,,,,,,,0.0,,,,,
CC(C)(C)c1cc(C(=O)N/N=C/c2ccco2)n[nH]1,CID825279,,,,,,,,,,,,,,,0.0,,
Cc1cc(C(=O)N/N=C/c2ccco2)n[nH]1,CID773096,,,,,,,,,,,,,,0.0,,,
CC(C)c1cc(C(=O)N/N=C/c2ccco2)n[nH]1,CID761821,,,,,,,,,,,,,,0.0,0.0,,
CCOC(=O)N1CCN(c2c(-c3ccc(C)c(C)c3)c(=O)c2=O)CC1,CID3245187,,,,,,,,,,,,,,0.0,,,0.0
CCOC(=O)N1CCN(c2c(-c3ccc(C(C)C)cc3)c(=O)c2=O)CC1,CID3245783,,,,0.0,,,,,,,,,,,,,
CCOC(=O)N1CCN(c2c(-c3ccc(C)cc3)c(=O)c2=O)CC1,CID3236271,,,,,,,0.0,0.0,,,,,0.0,,0.0,,
COc1ccc(-c2cc(CCCC(=O)NCCc3cc(OC)ccc3OC)no2)cc1,CID3245184,0.0,,,,,,0.0,,,,,,,,,,
CCOc1ccc(-c2cc(CCCC(=O)NCCc3ccc(OC)c(OC)c3OC)no2)cc1,CID3244726,,,,,,,,0.0,,,,,,,,,
COc1ccc(-c2cc(CCCC(=O)NCCc3ccc(OC)cc3OC)no2)cc1,CID3242371,0.0,,,,,0.0,,,0.0,,,,,,,,
COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)C2CC2)cc1,CID3243757,0.0,,,,,,0.0,0.0,,,,,,,,,0.0
CCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)C2CC2)cc1,CID3238331,0.0,,,0.0,,,,,0.0,0.0,,,,,,,0.0
COc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)C2CC2)c1,CID3236057,0.0,,0.0,0.0,,,,,,,,,,,,0.0,
COc1ccc(CNC(=O)CCc2c(C)nc3ncnn3c2C)cc1,CID3243753,,,,0.0,,0.0,,,,,,,,,,,
Cc1ccc(CNC(=O)CCc2c(C)nc3ncnn3c2C)cc1,CID3242099,,0.0,,,,,,0.0,,0.0,,,,,,,0.0
Cc1nc2ncnn2c(C)c1CCC(=O)NCc1ccccc1,CID3242708,,0.0,,,,,,,,,0.0,,,,,,0.0
Cc1cc(-n2nc(C)cc2C)nc(N)n1,CID742814,,,,,,,0.0,,,,,,,0.0,0.0,,
CCOc1cc(-n2nc(C)c(C#N)c2N)nc(SC)n1,CID850238,,,,,,,,,,0.0,,,,,,,
CCOc1cc(-n2ncc(C#N)c2N)nc(SC)n1,CID1235233,,,,,,,,,,0.0,,,,,,,
O=c1c2ccccc2nc(CSc2ncnc3nc[nH]c23)n1-c1ccccc1Cl,CID1093514,,,,,,,,,,,0.0,,,,,,
O=c1c2ccccc2nc(CSc2ncnc3nc[nH]c23)n1-c1ccccc1,CID656234,0.0,0.0,,0.0,0.0,,,,,,,,,,0.0,,
O=c1c2ccccc2nc(CSc2ncnc3nc[nH]c23)n1-c1cccc(C(F)(F)F)c1,CID1043512,,,,,,,,,,,,,,0.0,,,
O=C(NC1CCSC1=O)c1ccc(Oc2ccc(F)cc2)nc1,CID2769143,,,,,,0.0,,,,,,,,,,,
Cc1cccc(Oc2ccc(C(=O)NC3CCSC3=O)cn2)c1C,CID2769130,,,,,,0.0,,,,,,,,0.0,,,
Cc1ccc(Oc2ccc(C(=O)NC3CCSC3=O)cn2)cc1,CID2769129,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)c2c(N)n(CCCO)c3nc4ccccc4nc23)cc1,CID2308267,,,,,,,,,,0.0,,,,,,,
Cc1ccc(S(=O)(=O)c2c(N)n(C)c3nc4ccccc4nc23)cc1,CID665185,,0.0,0.0,,,,0.0,,0.0,,,,,,,,
Cn1c(N)c(S(=O)(=O)c2ccc(Br)cc2)c2nc3ccccc3nc21,CID658578,0.0,,,,,,,,0.0,,,,,,,0.0,0.0
COc1ccccc1CN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)Cc1nnnn1Cc1ccco1,CID1464427,,,,,,,,,,0.0,0.0,,,,,,
O=c1[nH]c2cc3c(cc2cc1CN(Cc1ccccc1)Cc1nnnn1Cc1ccco1)OCCO3,CID655908,,,,,,,0.0,,,,,,,,,0.0,
Cc1ccc(CN(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)Cc2nnnn2Cc2ccco2)cc1,CID1464396,,,,,,,,,,,,0.0,,,,,
Cc1ccccc1CS(=O)(=O)Cc1ccc(C(=O)NCc2ccccn2)o1,CID3235971,,,,,,,0.0,0.0,,,0.0,,0.0,,,,
O=C(NCc1ccccn1)c1ccc(CS(=O)(=O)Cc2ccc(Cl)cc2)o1,CID3243022,0.0,,,0.0,0.0,0.0,,,,,,,,,,,
Cc1ccc(CS(=O)(=O)Cc2ccc(C(=O)NCc3ccccn3)o2)cc1,CID3243809,,,,,,,,,,,,,,,,0.0,
O=C(Oc1ccc(=O)n(-c2ccccc2)n1)c1cccc(Cl)c1,CID1472472,,,,,,0.0,,,,,,,,1.0,0.0,,
COc1ccc(C(=O)Oc2ccc(=O)n(-c3ccccc3)n2)cc1,CID1472470,,,,,,,,,,,,,,1.0,,,
O=C(Oc1ccc(=O)n(-c2ccccc2)n1)c1ccccc1,CID1472474,,,,,,0.0,,,,,,,,,0.0,,
CCOC(=O)c1ccc(NC(=O)c2ccc(CO)c(C(=O)NC3CCN(C(=O)OCC)CC3)c2)cc1,CID9550356,,,,,,,,,,,,,,,0.0,,
CCOC(=O)N1CCC(NC(=O)c2cc(C(=O)Nc3ccc(OCC)cc3)ccc2CO)CC1,CID3236452,,,,,,,,0.0,0.0,,,0.0,,,,,
CCOC(=O)N1CCC(NC(=O)c2cc(C(=O)Nc3cccc(OC)c3)ccc2CO)CC1,CID3235760,,,,0.0,,,,,,,,,0.0,,,,
COc1ccc(S(=O)(=O)N2CCN(c3cc(-c4ccccc4)nc4ncnn34)CC2)cc1,CID645278,0.0,,,,0.0,,,0.0,0.0,,,0.0,,,,0.0,0.0
O=S(=O)(c1ccccc1)N1CCN(c2cc(-c3ccccc3)nc3ncnn23)CC1,CID653646,0.0,,,0.0,0.0,,,,,,0.0,,,,,0.0,
O=S(=O)(c1ccc(Br)cc1)N1CCN(c2cc(-c3ccccc3)nc3ncnn23)CC1,CID648498,,,,,,,,,0.0,,0.0,,,,,,0.0
CCOC(=O)c1cc2c(ccn2C)n1CC(=O)N1CCN(c2ccccc2OC)CC1,CID645277,,0.0,,,,,,0.0,0.0,,,0.0,0.0,,,,
CCOC(=O)c1cc2c(ccn2C)n1CC(=O)N1CCN(c2ccc(F)cc2)CC1,CID647098,,,,,,,,,,,,,0.0,,,,
CCOC(=O)c1cc2c(ccn2C)n1CC(=O)N1CCN(c2ccccc2)CC1,CID648117,0.0,,,,,,,0.0,,,,,,,,,
Cc1ccc(SCCC(=O)N2CCOCC2)cc1,CID894134,,,,0.0,,,,,,,,0.0,,,,,
O=C(CCSc1ccc(Cl)cc1)N1CCOCC1,CID900131,,,,,,,,,,0.0,,,,0.0,,,
O=C(CCSc1ccccc1)N1CCOCC1,CID875838,,,0.0,,,,,,,,,,,,,,
O=C(CSCc1ccc(Cl)cc1)Nc1cccc(C(=O)Nc2ccccc2C(=O)O)c1,CID1230936,,,,,,,,,,,,0.0,,,,,
O=C(CSCc1ccccc1)Nc1cccc(C(=O)Nc2ccccc2C(=O)O)c1,CID1254297,,,,,,0.0,,,,,,,,,,,
O=C(CSCc1ccccc1)Nc1cccc(C(=O)Nc2ccc(C(=O)O)cc2)c1,CID9526049,,,,,,,,,,,,,,0.0,,,
COc1cc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)CC2CCCO2)cc(OC)c1OC,CID666555,,,,,0.0,,,,,,,,,,,,
COc1cccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)CC2CCCO2)c1,CID666781,,,0.0,,0.0,,,,0.0,,,,0.0,,,,
COc1cc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)CC2CCCO2)cc(OC)c1OC,CID667370,,,,,0.0,,,0.0,0.0,0.0,,,,,,,
O=C1CCCc2nc(N3CCN(Cc4ccccc4)CC3)ncc21,CID666551,,0.0,,,,,,,,0.0,,,,,,,
Cc1nc(N2CCN(Cc3ccccc3)CC2)nc2c1C(=O)CC(C)C2,CID666977,,,0.0,,,0.0,,,,,,,0.0,,,,
Cc1nc(N2CCN(Cc3ccccc3)CC2)nc2c1C(=O)CCC2,CID666510,,,,,,,,0.0,,,,,,,,,
Cc1cccc(N2CCN(C(=O)c3ccc(Cl)c(S(=O)(=O)NCc4ccco4)c3)CC2)c1C,CID2106784,,,,0.0,0.0,0.0,,,,,,0.0,0.0,,,,0.0
COc1ccccc1N1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NCc3ccco3)c2)CC1,CID2113218,,,,,,,,,,,,0.0,,,,,
O=C(c1ccc(Cl)c(S(=O)(=O)NCc2ccco2)c1)N1CCN(c2ccc(F)cc2)CC1,CID2450838,,,,,,0.0,,,,,,,,,,,
CN1C(=O)CC(c2ccco2)Sc2ccccc21,CID3242308,,0.0,,,,,,,,0.0,,,,,,,
CCN1C(=O)CC(c2ccco2)Sc2ccccc21,CID3238611,,,,,0.0,,,,,,,,0.0,,,,
CCCN1C(=O)CC(c2ccco2)Sc2ccccc21,CID3238156,,,,,0.0,,,,,,,,,,,,
CCc1nc2c(C#N)c(-c3ccc(Cl)cc3)ccn2n1,CID1487628,,,,,,,,,,,,,,,0.0,,
CC(C)(C)c1nc2c(C#N)c(-c3ccc(Cl)cc3)ccn2n1,CID1482926,,,,,,,,,,,0.0,,,,,,
N#Cc1c(-c2ccc(Cl)cc2)ccn2nc(CCC(=O)O)nc12,CID1485628,,,,,,,,,,,0.0,,,,,,
CC1CCCN(C(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2C)C1,CID644853,,0.0,,0.0,,,,,,,,,,,,0.0,0.0
CC1CCN(C(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2C)CC1,CID654840,,,,0.0,,,,,,,,,,,,,0.0
Cn1c(SCC(=O)N2CCCCC2)nnc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1,CID650773,,,0.0,0.0,,,,,,0.0,,,,0.0,,0.0,0.0
Clc1ccccc1-c1nc(-c2ccccc2)n[nH]1,CID644851,0.0,0.0,0.0,,,,0.0,,,,,,,0.0,,,
Brc1cccc(-c2n[nH]c(-c3ccccc3)n2)c1,CID1265631,0.0,,,,,,,,,,0.0,,,,,0.0,0.0
CCOC(=O)Cn1nc(-c2ccccc2)nc1-c1ccccc1,CID652025,0.0,0.0,0.0,,,,,,0.0,,0.0,0.0,0.0,,,,0.0
CCOC(=O)c1cc2occc2n1CC(=O)NC1CCCCC1C,CID648691,,,,,0.0,,,,,,0.0,,,,,,0.0
COC(=O)c1cc2occc2n1CC(=O)N(C)C1CCCCC1,CID3244202,0.0,,,,,0.0,,,,0.0,,,,,,,
CCOC(=O)c1cc2occc2n1CC(=O)NC1CCC(C)CC1,CID656205,0.0,,,0.0,0.0,,,,0.0,,0.0,0.0,0.0,,,0.0,
Cc1ccc(NCc2nnc(SCC(=O)c3ccccc3)n2Cc2ccco2)c(C)c1,CID648696,,0.0,,,0.0,,0.0,,,,0.0,,,,,,0.0
Cc1ccc(C(=O)CSc2nnc(CNc3ccc(C)cc3C)n2Cc2ccco2)cc1,CID652480,0.0,,0.0,0.0,0.0,,,,,,,,,,,,0.0
COc1ccc(C(=O)CSc2nnc(CNc3ccc(C)cc3C)n2Cc2ccco2)cc1,CID646644,0.0,,,,,,,0.0,,,,,0.0,,,,0.0
O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCCC3)ccc21)N1CCc2ccccc21,CID11957283,,,,,,0.0,,,,,,,,,,,
CC1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3CC(=O)N2c3ccccc3CC2C)CC1,CID5309049,,,,,,,,,,0.0,,,0.0,,,0.0,
CC1Cc2ccccc2N1C(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3CCCCC3)ccc21,CID5309954,,0.0,,,,,,0.0,,,,,,,,,
COC(=O)c1ccc2c(=O)n(CCCCCC(=O)N3CCN(c4ccc(F)cc4)CC3)c(=O)[nH]c2c1,CID3239665,,,,,,0.0,,,,,,,,,,0.0,
COC(=O)c1ccc2c(=O)n(CCCCCC(=O)N3CCN(c4ccccc4)CC3)c(=O)[nH]c2c1,CID3240356,,,0.0,,,,,,0.0,,,,,,,,
COc1cc2[nH]c(=O)n(CCCCCC(=O)N3CCN(c4ccccc4)CC3)c(=O)c2cc1OC,CID3235816,,,,,,,0.0,,0.0,,0.0,,,,,,
CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)CC1,CID649161,0.0,,,,,,0.0,,,,,,,0.0,,0.0,0.0
CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)CC1,CID974394,,,,,0.0,,,0.0,0.0,,0.0,,,0.0,,0.0,
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)o1,CID1245828,,,,0.0,0.0,,,,0.0,,,,,,,0.0,
CCCCOn1c(C)c(C(=O)OCC)c2c3nonc3ccc21,CID3237885,,,0.0,,,,0.0,,,,,,0.0,,,,
Cc1cc2c3nonc3ccc2n1C,CID657742,,,,,,0.0,,0.0,,,0.0,,,,,,
COn1c(C)c(C(C)=O)c2c3nonc3ccc21,CID657659,,,0.0,,,,,0.0,,,,,,,,,
CC(C)c1nc(SCC(=O)N2CCOCC2)c2c(=O)n(C)c(=O)n(C)c2n1,CID5310433,,0.0,,,,,,0.0,,,,,,,,,
Cn1c(=O)c2c(SCC(=O)N3CCOCC3)nc(CC(C)(C)C)nc2n(C)c1=O,CID5309984,,,,,,,,,,0.0,,,,,,,
CCc1nc(SCC(=O)N2CCOCC2)c2c(=O)n(C)c(=O)n(C)c2n1,CID5310316,0.0,0.0,,,,,,,,,,,,,,0.0,
Cn1c(C(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)cc2c(=O)n(C)c3ccccc3c21,CID5308205,0.0,,,,,,,,,,,,,,,,0.0
Cn1c(C(=O)NCCCN2CCN(c3ccc(F)cc3)CC2)cc2c(=O)n(C)c3ccccc3c21,CID5307463,,0.0,,,,,,,,,,,,,,,
Cn1c(C(=O)NCCCN2CCN(c3ccccc3F)CC2)cc2c(=O)[nH]c3ccccc3c21,CID3241371,,,,,,,,,,0.0,,,,,,,
O=S(=O)(Cc1ccc(Cl)cc1)N1CCCC1,CID2229593,,,,,,,,,,0.0,,,,,,,0.0
O=S(=O)(Cc1ccccc1)N1CCCC1,CID798772,,,0.0,,,,0.0,,,0.0,,,,0.0,0.0,,
O=S(=O)(Cc1ccccc1Cl)N1CCCC1,CID2987144,,,,,,,,,,,,,,,0.0,,
CCOC(=O)C1=C(CS(=O)(=O)c2ccccc2)NC(=O)NC1c1ccccc1OCC,CID5307524,,,,,,,,0.0,,,,,,,,,
CCOC(=O)C1=C(CS(=O)(=O)c2ccccc2)NC(=O)NC1c1ccccc1,CID2998068,,,0.0,0.0,0.0,,0.0,,0.0,,0.0,,0.0,,,,0.0
CCOC(=O)C1=C(CS(=O)(=O)c2ccc(F)c(C)c2)NC(=O)NC1c1ccc(O)c(O)c1,CID5307643,,,0.0,,,,,,,,,,,,,,
CC/C(NCCO)=C1/C(=O)NC(=O)N(C2CCCCC2)C1=O,CID5389624,,,,,,,,,,,,,0.0,,,,
CCN(CC)CCCN/C(C)=C1\C(=O)NC(=O)N(C2CCCCC2)C1=O,CID5389703,,,,,,,,0.0,,,,,,,,,0.0
CC/C(NCCCN(CC)CC)=C1/C(=O)NC(=O)N(C2CCCCC2)C1=O,CID5389540,,,,,,,,,,,0.0,,,,,,
COc1ccc(CCNC(=O)COC(=O)c2ccco2)cc1OC,CID654765,,,,,0.0,,0.0,,,,,,,,,0.0,
COc1ccc(CCNC(=O)COC(=O)c2ccc(Br)o2)cc1,CID2423206,,,,,,,,,,,0.0,0.0,,,,,
COc1ccc(CCNC(=O)C(C)OC(=O)c2ccco2)cc1OC,CID650410,,,0.0,,,,0.0,0.0,,,,,,,,0.0,
CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(Cc3ccccc3)s2)cc1,CID1262875,0.0,,,,0.0,,0.0,,0.0,,,,,,,0.0,
O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1ccccc1F,CID2873325,,,,,,0.0,,,,,,,,,,,
COc1ccc(Cc2nnc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)s2)cc1,CID1312406,,,,,,,,,,,,0.0,,,,,
CC1(C)CC(=O)C(=CNCCN2CCN(C(=O)Cc3ccccc3)CC2)C(=O)C1,CID2843634,,,0.0,,,,,,,,,0.0,0.0,,,,0.0
CC1(C)CC(=O)C(=CNCCN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)C(=O)C1,CID646638,,,,,,,,,,0.0,,,,,,0.0,0.0
CC1(C)CC(=O)C(=CNCCN2CCN(C(=O)Cc3ccc(F)cc3)CC2)C(=O)C1,CID658212,,,,,,0.0,0.0,,,,,,,,,,
CCC1(CC)N([O-])C(C)=C(c2ccccc2)[N+]1=O,CID2270203,,,,,,,,,0.0,,,,,,,,
CC1=C(c2ccc(Cl)cc2)[N+](=O)C(C)(C)N1[O-],CID661689,,0.0,0.0,,,,0.0,,,,,,0.0,,,0.0,0.0
CC1=C(c2ccc(C)cc2)[N+](=O)C(C)(C)N1[O-],CID3151814,,,,,,,,,,,,,,,0.0,,
COC(=O)c1ccc(N2C(=O)CC(N3CCC(n4c(=O)[nH]c5ccccc54)CC3)C2=O)cc1,CID2978866,,,,,,,0.0,,,0.0,,0.0,,,,,
O=C1CC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(=O)N1c1ccc(F)cc1,CID2982662,,,,,,,,,,,,,,,,,0.0
COc1ccc(N2C(=O)CC(N3CCC(n4c(=O)[nH]c5ccccc54)CC3)C2=O)cc1,CID2984784,,,,,,0.0,,,,,0.0,0.0,,,,,
COc1ccc(OC)c(NC(=O)C23CCC(C)(C(=O)C2)C3(C)C)c1,CID2978869,,,,0.0,,,0.0,0.0,,,,,0.0,,,,0.0
CC12CCC(C(=O)Nc3ccccc3Cl)(C(Br)C1=O)C2(C)C,CID3469719,,,,,,,,,,,,,,0.0,,,
COc1ccc(NC(=O)C23CCC(C)(C(=O)C2)C3(C)C)cc1,CID2928915,,,,0.0,,,,0.0,,0.0,,,,,,,0.0
Cc1ccc(-c2nn(CC(=O)NCC3CCCO3)c(=O)c3ccccc23)cc1,CID2939498,,0.0,0.0,,0.0,,,,0.0,,0.0,0.0,,,0.0,,
O=C(Cn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O)NCC1CCCO1,CID2937149,,,,,,0.0,,,,,,,,,0.0,,
O=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)NCC1CCCO1,CID661211,,,0.0,,0.0,0.0,,,0.0,,,,,,,,
CC(C)CC(NC(=O)C1CCC(C)CC1)C(=O)Nc1ccccn1,CID3242302,,,,,0.0,,,,,,,,,,,,
CC(C)C(NC(=O)C1CCCCC1)C(=O)Nc1ccccn1,CID3239768,,0.0,,,0.0,0.0,,,,0.0,,,,,,,
Cc1ccc(NC(=O)C(CC(C)C)NC(=O)C2CCC(C)CC2)nc1,CID9550399,,,,,,,,,,,0.0,0.0,,,,,
COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)Cc2cccs2)cc1OC,CID1933074,,,,,,,,,,,,,,,0.0,,
O=C(/C=C/c1ccccc1)NC(=S)NNC(=O)Cc1cccs1,CID1933256,,,,,,,,,0.0,0.0,,,,,,,
COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)Cc2cccs2)cc1,CID1933110,,,,,,0.0,,,,,,,,,,,
CN1CCN(C(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2S3=O)CC1,CID4303182,0.0,0.0,,,0.0,,,,,,,,0.0,,,,0.0
CCN1CCN(C(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)c2ccccc2S3=O)CC1,CID5307313,,,,,,,,,,,,,0.0,,,,
CN1CCN(C(=O)c2ccc3c(c2)N(Cc2ccc(Cl)cc2)C(=O)c2ccccc2S3=O)CC1,CID5307147,,0.0,0.0,,,,,,,,,,,,,,
CS(=O)(=O)N(CC(=O)N1CCCCC1)c1ccc2c(c1)OCO2,CID973958,,,,,,,,,,,,0.0,,,,0.0,
CCOC(=O)C1CCN(C(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)CC1,CID2235826,,,0.0,,,,,,,0.0,,,,,,0.0,0.0
CC1CCN(C(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)CC1,CID1252104,,,,0.0,,,,,,,,,,,,,
COc1ccc(OC)c2c1CCC2=O,CID606012,,,0.0,,,,,0.0,,,,0.0,,,,,
CCOC(=O)CCc1cccc2c1CCC2=O,CID3241710,,,0.0,,,0.0,,,0.0,0.0,,,,,,0.0,
CC(=O)Nc1ccc2c(c1)CCC2=O,CID312894,,,,,,,,0.0,0.0,,,,0.0,,,,
CCn1c(C2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21,CID4754173,0.0,,,,,,,0.0,,,,,,,,0.0,
C=C(C)Cn1c(C2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21,CID4754187,0.0,,0.0,0.0,,,,,,,,,,,,,
O=C1CC(c2nc3ccccc3[nH]2)CN1Cc1ccccc1,CID4754183,0.0,0.0,0.0,,,,0.0,,,,,,0.0,,0.0,,
Cc1ccc(NC(=S)NC2CCCCC2)cc1,CID796732,,,,,,0.0,,,,,,,,,,,
CCN(C(=S)Nc1ccccc1F)C1CCCCC1,CID718369,,,,,,0.0,,,,,,,,,,,
COC(=O)c1ccc(NC(=S)NC2CCCCC2)cc1,CID726336,,,,,,0.0,,,,,,,,,,,
CC(C)(C)NC(=O)CSc1nnc(-c2ccncc2)n1Cc1ccccc1,CID1154993,0.0,,0.0,,0.0,,,0.0,,,,,0.0,,,0.0,
CC(C)C(C)(C#N)NC(=O)CSc1nnc(-c2ccncc2)n1Cc1ccccc1,CID2999080,0.0,0.0,0.0,0.0,0.0,,,,,,0.0,,0.0,,,0.0,
CNC(=O)CSc1nnc(-c2ccncc2)n1Cc1ccccc1,CID2574472,,0.0,,,0.0,,,,,,,,,,0.0,0.0,
CN(C)c1ccc(CNn2cnnc2SCc2ccc(F)cc2)cc1,CID665908,0.0,0.0,,,,,,,,0.0,,,0.0,,,0.0,
CN(C)c1ccc(CNn2cnnc2SCc2ccccc2F)cc1,CID979449,,0.0,,,,,,,,,,,,,,0.0,
Fc1ccc(CNn2cnnc2SCc2ccc(F)cc2)cc1,CID834056,,,,,,,,,,,0.0,,,,,,
CC1CCCc2sc3nc(N4CCN(CCO)CC4)n4ncnc4c3c21,CID665907,0.0,,0.0,,,,,,,,,,,,0.0,,
CCN1CCN(c2nc3sc4c(c3c3ncnn23)CC(C)CC4)CC1,CID665608,,0.0,,,0.0,0.0,,,,,,,0.0,,,,
CC1CCc2sc3nc(N4CCN(CCO)CC4)n4ncnc4c3c2C1,CID665415,,0.0,0.0,,,,,,,0.0,0.0,,,,,,
O=C(CCC(=O)c1ccccc1)Nc1cccnc1,CID1090681,,,,,,,,,,0.0,,,,,,,
Cc1ccc(C)c(C(=O)CCC(=O)Nc2cccnc2)c1,CID970243,,,,,0.0,,,0.0,,0.0,,,0.0,,,,0.0
Cc1ccc(C(=O)CCC(=O)Nc2cccnc2)cc1C,CID977752,,,,0.0,0.0,,,,,0.0,,,0.0,,,,
CCn1nc(NS(=O)(=O)c2ccccc2)c2cc3cccc(C)c3nc21,CID1243718,,0.0,,,,,,,,,0.0,,,,,0.0,
CC(C)Cn1nc(NS(=O)(=O)c2ccccc2)c2cc3ccccc3nc21,CID666658,,0.0,0.0,,,,,0.0,,0.0,,,,,,,
CCCn1nc(NS(=O)(=O)c2ccccc2)c2cc3ccccc3nc21,CID666001,,0.0,,,,0.0,,,,,,,,,,0.0,
CCn1c(SCC(=O)C(C)(C)C)nnc1-c1cnccn1,CID937978,,,0.0,,0.0,,,,,,,,,,,0.0,
COC(=O)CSc1nnc(-c2cnccn2)n1C,CID645359,,0.0,0.0,0.0,,,,,,,,,0.0,,,,
CC(C)OC(=O)CSc1nnc(-c2cnccn2)n1C,CID936297,,0.0,,,,,,,,0.0,,,,,,,0.0
CS(=O)(=O)Nc1cccc(C2=NN(C(=O)c3ccccc3Cl)C(c3ccccc3O)C2)c1,CID12005842,,,,,,,,,,,,,,,0.0,,
COc1ccc(C2CC(c3ccc([N+](=O)[O-])cc3)=NN2C(=O)c2ccccc2)cc1OC,CID2886887,,,,,,0.0,,,,,,,,,0.0,,
COc1cccc(C2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(=O)c2ccccc2)c1OC,CID12005788,,,,,,,,,,,,,,,0.0,,
COc1cccc(N(CC(=O)NC2CCCC2)C(=O)Cn2nnc(-c3ccc(C)cc3)n2)c1,CID655165,,,,,,,,,,0.0,,0.0,,,,,
COc1ccc(N(CC(=O)NC2CCCC2)C(=O)Cn2nnc(-c3ccc(C)cc3)n2)cc1,CID656377,,,,,,,,,,0.0,,,0.0,,,,
COc1ccc(N(CC(=O)NC2CCCC2)C(=O)Cn2nnc(-c3ccc(C)cc3)n2)cc1OC,CID655193,,0.0,,,,,,,,0.0,0.0,,,0.0,,,
Cc1ccc(N(CC(O)Cn2c3ccccc3c3ccccc32)S(C)(=O)=O)c(C)c1,CID2948602,,,,,,,,,,,,,,,0.0,,
CS(=O)(=O)N(CC(O)Cn1c2ccccc2c2ccccc21)c1ccccc1,CID2879611,,,0.0,,,0.0,,,,,,0.0,,,,,
Cc1cccc(C)c1N(CC(O)Cn1c2ccccc2c2ccccc21)S(C)(=O)=O,CID3284893,,,,,,,,,0.0,,,0.0,,,,,
CC(=O)NC1CC2CCC(C1)N2Cc1ccc(C)cc1,CID648974,0.0,,,,,,,,,0.0,,,,,,0.0,
CC(C)CNC(=S)NC1CC2CCC(C1)N2Cc1ccccc1,CID3217771,,,,,,0.0,,,,,,,,,,,
CCNC(=S)NC1CC2CCC(C1)N2Cc1ccccc1,CID3217770,,,,,,0.0,,,,,,,,,,,
O=c1c2ccccc2nc(SCc2cccc(F)c2)n1Cc1ccco1,CID1300759,0.0,,,,,,,,,,,0.0,0.0,,,,0.0
Cc1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccco2)cc1,CID1143679,,,,,,,,,,,0.0,,,0.0,,,
O=c1c2ccccc2nc(SCc2ccccc2)n1Cc1ccco1,CID652975,0.0,,,,,0.0,0.0,0.0,,,,,,0.0,,,
CCc1nnc(NC(=O)CCC(=O)N2CCN(C3CCCCC3)CC2)s1,CID663978,,,0.0,0.0,,,,0.0,,,,,0.0,,,,
CC(C)c1nnc(NC(=O)CCC(=O)N2CCN(C3CCCCC3)CC2)s1,CID664087,,,0.0,,,,,,,,0.0,,,,,,
O=C(CCC(=O)N1CCN(C2CCCCC2)CC1)Nc1nnc(C(F)(F)F)s1,CID664533,0.0,,,,0.0,,,,,0.0,,,,,,,0.0
N#Cc1nc(Cc2ccccc2)oc1N1CCN(c2ccccc2)CC1,CID663972,0.0,0.0,,,,,,,,0.0,0.0,,,,,,
N#Cc1nc(Cc2ccccc2)oc1N1CCN(c2cccc(Cl)c2)CC1,CID663537,0.0,0.0,0.0,,0.0,,,,,,,,,,,,0.0
COc1ccc(N2CCN(c3oc(Cc4ccccc4)nc3C#N)CC2)cc1,CID1843619,,,,,,0.0,,,,,0.0,,,,0.0,,
COC(=O)c1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2)o1,CID751241,,,,,,,,0.0,0.0,,,,,0.0,0.0,0.0,
Cc1c(C)c2ccc(OCc3ccc(C(=O)O)o3)c(C)c2oc1=O,CID667201,,,,,,,,0.0,,,,,,0.0,0.0,,
COC(=O)c1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2C)o1,CID808206,,,0.0,,,,,,,,,,,,,,
CCOC(=O)c1c(NC(=O)CSc2nc(=O)c(C)n[nH]2)sc2c1CCCC2,CID2272991,,,,,,,,,0.0,0.0,0.0,,,,,,
Cc1n[nH]c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nc1=O,CID1822868,0.0,0.0,,0.0,,,0.0,,0.0,0.0,0.0,,,,,0.0,
Cc1n[nH]c(SCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)nc1=O,CID2379506,,,,,,,,,0.0,,,,,,0.0,,
CCc1nn(C(C)C(=O)N2CCc3ccccc3C2)c(=O)c2cc3occc3n12,CID3238873,0.0,,0.0,,0.0,,0.0,,,,,,,,,,
Cc1nn(C(C)C(=O)N2CCc3ccccc3C2)c(=O)c2cc3occc3n12,CID3245936,,0.0,0.0,,0.0,,,,,,,,,,,,
CCC(C(=O)N1CCc2ccccc2C1)n1nc(C)n2c(cc3occc32)c1=O,CID3239851,,,,,0.0,,,,,,,,,,,,
COc1ccc(OC)c(NC2c3ncccc3C(=O)N2Cc2ccco2)c1,CID3238874,0.0,,0.0,,,0.0,,,,,,,,,,,
CC(=O)c1cccc(NC2c3ncccc3C(=O)N2Cc2ccco2)c1,CID3237159,0.0,0.0,0.0,0.0,0.0,,,,0.0,0.0,,,,,,,
COc1cc(NC2c3ncccc3C(=O)N2Cc2ccco2)cc(OC)c1,CID3241207,0.0,0.0,,,,,,,,,,0.0,,,,,
CCc1n[nH]c(=S)n1/N=C/c1ccc(NC(C)=O)cc1,CID2419700,,,,,,,,,,,,,,,0.0,,
S=c1[nH]ncn1/N=C/c1ccccc1,CID766781,,0.0,,,,,,,,,0.0,,0.0,,,0.0,
S=c1[nH]ncn1/N=C/c1ccc(Br)cc1,CID873196,,,,,,,,,,,,,,,,0.0,0.0
O=C(CCC(=O)N(c1cccc(F)c1)C(C(=O)NC1CCCC1)c1ccncc1)Nc1cccnc1,CID648151,,,,,,,,,,0.0,,,,,,,
Cc1cccc(N(C(=O)CCC(=O)Nc2cccnc2)C(C(=O)NC2CCCC2)c2ccncc2)c1,CID3216684,,,,,,,,,,,,0.0,,,,,
O=C(CCC(=O)N(c1ccccc1)C(C(=O)NC1CCCC1)c1ccncc1)Nc1cccnc1,CID652926,0.0,,0.0,,,,0.0,,,0.0,,0.0,,,,,
CCN1c2cccc3cccc(c23)S1(=O)=O,CID747366,,,,,,,,,,,0.0,,,,0.0,,
N#CCCCCN1c2cccc3cccc(c23)S1(=O)=O,CID646859,,,,,,,0.0,,,,,0.0,,,,0.0,0.0
CCCN1c2cccc3cccc(c23)S1(=O)=O,CID654365,,0.0,,,0.0,,,,,,,,,,,,
COC(=O)CC1C(=O)NCCN1C(=O)Nc1ccc(Cl)c(Cl)c1,CID2957169,,,,,,,,,,,,,,0.0,,,
CCOC(=O)CC1C(=O)NCCN1C(=O)Nc1ccccc1,CID2967805,,,0.0,,,,,0.0,0.0,,,,,0.0,,,
COC(=O)CC1C(=O)NCCN1C(=O)Nc1ccccc1,CID656047,,,,,,,,,0.0,,,,,,,,
CSc1nnc(NC(=O)c2cc3ccccc3oc2=O)s1,CID4693998,0.0,0.0,,,0.0,,,,,,,,,,,,
CCCc1nnc(NC(=O)c2cc3ccccc3oc2=O)s1,CID835064,,,,,,,,,0.0,0.0,0.0,,,,,,
CCc1nnc(NC(=O)c2cc3ccccc3oc2=O)s1,CID650007,,,0.0,0.0,,,,0.0,,0.0,,0.0,,,,0.0,
CN1C(=O)C(O)(CC(=O)c2cccnc2)c2ccccc21,CID2920883,,,,0.0,,,,0.0,,,,,,,,,
Cc1ccc2c(c1)C(O)(CC(=O)c1cccnc1)C(=O)N2,CID2946024,,,,,,,,,,,,,0.0,,,,0.0
O=C(CC1(O)C(=O)Nc2ccccc21)c1cccnc1,CID652446,,,0.0,,,,,,,,,,,,,,
CSc1nnc2n(C3CCCCC3)c(=O)c3c4c(sc3n12)CCCC4,CID658237,0.0,,,,0.0,,0.0,,,,,,,,,,
COC(=O)CSc1nnc2n(C3CCCCC3)c(=O)c3c4c(sc3n12)CCCC4,CID1357439,,,,,,,,,,,,,,,,,0.0
CCOC(=O)CSc1nnc2n(C3CCCCC3)c(=O)c3c4c(sc3n12)CCCC4,CID658102,,,,,,,0.0,,,,,,,,,,
O=C(CSc1ccccn1)N1CCN(c2ccc(Cl)cc2)CC1,CID977376,,,,,,,,,,,0.0,0.0,,,,,
O=C(CSc1ccccn1)N1CCN(c2cccc(Cl)c2)CC1,CID2197758,,,,,,,,,,,,0.0,,,,,
O=C(CSc1ccccn1)N1CCN(c2ccccc2)CC1,CID891632,,,,,,,0.0,,,,,,,,,0.0,
Cc1oc(/N=C/c2ccc(Cl)cc2Cl)c(C#N)c1C,CID684477,0.0,,,,,,,,,,,,,,,,
Cc1oc(/N=C/c2ccc(Cl)cc2)c(C#N)c1C,CID781706,0.0,,,,,,,,,,,,0.0,,,0.0,0.0
COc1ccc(/C=N/c2oc(C)c(C)c2C#N)c(OC)c1,CID687153,,,,,,,,,,,,,,,0.0,,
Cc1ccccc1N1C(=O)CC2(CCCC2)CC1=O,CID1864514,,,,,,,,,,,,,,0.0,,,
COc1ccc(N2C(=O)CC3(CCCC3)CC2=O)cc1,CID1552640,,,,,,,,,,,,,,0.0,0.0,,
O=C1CC2(CCCC2)CC(=O)N1c1ccccc1,CID1552638,,,,,,,,,,,,,,0.0,,,
COc1ccc(N2CCN(C(=O)C3COc4ccccc4O3)CC2)cc1,CID3147861,,,,,,,,,,,,0.0,,,,,
O=C(C1COc2ccccc2O1)N1CCN(c2ccccc2F)CC1,CID3147867,,,,0.0,,,,,,,,,,,,,
O=C(C1COc2ccccc2O1)N1CCN(c2ccc(F)cc2)CC1,CID3000215,,,0.0,,,,,0.0,,,,,,,,,
Cc1cc(=O)oc(C)c1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O,CID1916791,,,,,,,,,0.0,,,,,,,,
Cc1c(NC(=O)c2ccc(=O)oc2)c(=O)n(-c2ccccc2)n1C,CID660628,,,,,,,0.0,,,,,,0.0,,,,
Cc1c(NC(=O)c2coc(=O)c(Br)c2)c(=O)n(-c2ccccc2)n1C,CID661972,0.0,,,,,,0.0,,0.0,,,,,,0.0,,0.0
Cc1ccnc(SCCn2c(N3CCN(Cc4ccccc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)n1,CID5159730,,0.0,,,,,0.0,,,,,,,,,,
Cn1c(=O)c2c(nc(N3CCN(Cc4ccccc4)CC3)n2CCSc2ncccn2)n(C)c1=O,CID4193175,,,,,0.0,,,,,,,,,,,,
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(Cc3ccccc3)CC1)n2CCSc1ncccn1,CID4607153,,0.0,,,,,,,,,,,,,,,
O=C(O)/C=C\C(=O)Nc1ccccc1C#Cc1ccc(Br)cc1,CID2058873,,,,,,,,,,,,0.0,,0.0,,,
CCCC(=O)Nc1ccc(C#Cc2ccccc2)cc1,CID1472871,,,,,,0.0,,,,,,,,,,,
Nc1ccccc1C#Cc1ccccc1,CID1211370,,,,,,0.0,,,,,,0.0,,0.0,,,
COc1cc2[nH]c(=S)n(C3CCCC3)c(=O)c2cc1OC,CID667070,0.0,0.0,,0.0,0.0,,0.0,,,,,,,,,,0.0
CC(C)NC(=O)c1ccc2c(=O)n(C3CCCC3)c(=S)[nH]c2c1,CID3238003,,0.0,,0.0,0.0,,,,,,0.0,,,,,0.0,
COCCCNC(=O)c1ccc2c(=O)n(C3CCCC3)c(=S)[nH]c2c1,CID3244761,,,,,,0.0,,0.0,,0.0,,,,,,0.0,
CCc1ccc(CN2C(=O)c3ccccc3C2C(=O)NCC2CCCO2)cc1,CID6625050,,,,,,,,,,,,,,0.0,,,
CCOc1ccccc1CN1C(=O)c2ccccc2C1C(=O)NCC1CCCO1,CID3237096,,,,,0.0,,,,,0.0,,,,,,,
COc1ccc(CN2C(=O)c3ccccc3C2C(=O)NCC2CCCO2)c(OC)c1,CID3240842,,,,,0.0,,0.0,,,0.0,,,,,,,
O=C(NC12CC3CC(CC(C3)C1)C2)N1CCCC(CO)C1,CID2981740,,,,,,,,0.0,,,0.0,0.0,,,,,0.0
O=C(NC12CC3CC(CC(C3)C1)C2)N1CCC(O)CC1,CID2978584,0.0,,,0.0,,,0.0,,,,,0.0,,,,,
CCOC(=O)C1CCN(C(=O)NC23CC4CC(CC(C4)C2)C3)CC1,CID2941637,,0.0,0.0,,0.0,,,,0.0,,0.0,,,,,,0.0
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)C1c1ccccn1,CID661807,,,,,0.0,0.0,,,,,0.0,,,,,0.0,
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)C1c1ccccn1,CID662046,,0.0,0.0,0.0,0.0,,,,,,0.0,,,,,,
CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)C1c1ccccn1,CID2950937,,0.0,0.0,0.0,0.0,,,0.0,,,,,,,,,
CC(Oc1ccccc1)C(=O)NNC(=O)c1ccccn1,CID3743145,,,,,,,,,,,,,,0.0,,,
COc1ccc(OCC(=O)NNC(=O)c2ccccn2)cc1,CID774167,,,,,,,,,,,,0.0,,,0.0,,
O=C(COc1ccc(Cl)cc1)NNC(=O)c1ccccn1,CID793931,,,,,,,,,,,,,,,0.0,,
O=C(CCn1c(=O)oc2ccccc21)N1CCN(c2ccccc2Cl)CC1,CID3163753,0.0,,0.0,,,,,,,,,,0.0,,,,0.0
O=C(CCn1c(=O)oc2ccccc21)N1CCN(c2ccccc2F)CC1,CID3241380,,,,,,0.0,,0.0,,,0.0,,0.0,,,,
O=C(CCn1c(=O)oc2ccccc21)N1CCN(c2ccc(F)cc2)CC1,CID5223112,,,0.0,,,,,0.0,,,,,,,,,
CN(Cc1ccccc1)c1oc(-c2ccco2)nc1C#N,CID665005,0.0,0.0,,0.0,,,,,,0.0,,,0.0,,,,
N#Cc1nc(-c2ccco2)oc1NCc1ccc(F)cc1,CID664351,,,,0.0,,,,,,,,0.0,,,,,
Cc1ccc(CNc2oc(-c3ccco3)nc2C#N)cc1,CID1242435,,0.0,0.0,,,,,0.0,,,0.0,0.0,0.0,,,,0.0
COC(=O)C1=C2SC(C)C(=O)N2C(N)=C(C#N)C1c1cc(OC)c(OC)c(OC)c1,CID665007,,,0.0,0.0,0.0,,,,,,0.0,,,,,,
COC(=O)C1=C2SC(C)C(=O)N2C(N)=C(C#N)C1c1ccc(OC)c(OC)c1,CID664434,,,0.0,0.0,,,,,,,,,,,,,
CCOC(=O)C1=C(N)N2C(=O)C(C)SC2=C(C(=O)OC)C1c1ccccc1OC,CID2966579,,,,,,,,,,,0.0,,0.0,,,,
O=C(Cc1ccccc1)n1nc(-c2ccccc2)nc1NCc1ccco1,CID3896375,0.0,0.0,0.0,0.0,,0.0,,,,,,,,,,,
COc1ccc(CC(=O)n2nc(-c3ccc(Cl)cc3)nc2NCc2ccco2)cc1,CID2205117,,,,,,,,,,,0.0,,,,,,
COc1ccc(CC(=O)n2nc(-c3ccccc3)nc2NCc2ccco2)cc1,CID2208140,,0.0,,,,,0.0,,,,,0.0,,,,,0.0
C=CCN1C(=O)CS/C1=N/S(=O)(=O)c1ccc(Cl)cc1,CID1388262,,,,,,,,,,,,,,,0.0,,
CCN1C(=O)CS/C1=N/S(=O)(=O)c1ccc(C)cc1,CID2133646,,,,,,,,,,,,,,0.0,0.0,,
CCN1C(=O)CS/C1=N/S(=O)(=O)c1ccc(Cl)cc1,CID2133649,,,,,,,,,,,,,,0.0,0.0,,
C=CCn1c(SCC(=O)c2cccs2)nc2sc(CC)cc2c1=O,CID1158633,,,,,0.0,,,,0.0,,,,,0.0,,,
C=CCn1c(SCC(=O)c2cccs2)nc2sc(C)c(C)c2c1=O,CID982898,,,,,,,,,,,,,,0.0,,,
C=CCn1c(SCC(=O)c2cccs2)nc2sc(C)cc2c1=O,CID1076158,,,0.0,,0.0,,0.0,,0.0,,,,,0.0,0.0,,
O=C(Nc1cnccn1)c1cccc(C(F)(F)F)c1,CID1246771,,,,,0.0,,,,,0.0,,,,,,,0.0
CC(C)(C)c1ccc(C(=O)Nc2cnccn2)cc1,CID1246373,,,,,,,,,,,,,0.0,,,,
CCOc1cc(C(=O)Nc2cnccn2)cc(OCC)c1OCC,CID1245058,,,,,0.0,,,0.0,0.0,,,,0.0,,,,
CCc1cccc2c(C=C(C#N)C#N)cn(CC(=O)N3CCCC3)c12,CID1082581,,,,,,0.0,,,,,,,,,,,
N#Cc1cn(CC(=O)N2CCCC2)c2ccccc12,CID807225,,,,,,,,0.0,,,,,,,,,
Cc1c(C#N)c2ccccc2n1CC(=O)N1CCCC1,CID649127,,0.0,,0.0,,,,,,,,,,,,,
CC(=O)Nc1ccc(C(=O)OC2CCCCC2=O)cc1,CID3277430,,,,,,0.0,,,,,,,,,,,
CNS(=O)(=O)c1cccc(C(=O)OC2CCCCC2=O)c1,CID2999232,,,0.0,,,,0.0,,0.0,,,0.0,,,,0.0,0.0
COc1cc(C(=O)OC2CCCCC2=O)cc(OC)c1C,CID2998460,,,,,,0.0,,,0.0,,0.0,,,,,,
C=CCc1ccc(OCCOc2ccc(/C=N/n3cnnc3)cc2OCC)c(OC)c1,CID2895796,,,,,,,,,,,0.0,0.0,,,,,
COc1ccccc1OCCOc1ccc(/C=N/n2cnnc2)cc1,CID2230772,,0.0,,,,,0.0,0.0,,0.0,,,,,,,
COc1cc(/C=N/n2cnnc2)ccc1OCCOc1ccccc1,CID2289838,,0.0,0.0,0.0,,,0.0,,,,,,,,,,
COc1ccc(CCNC(=O)CSc2nc3ccccc3o2)cc1OC,CID2344873,,,,,,,,,,,0.0,,,,,,
O=C(CSc1nc2cc(Cl)ccc2o1)NCCc1ccccc1,CID2388695,,,,,,0.0,,,,0.0,,,,,,,
CCS(=O)(=O)c1ccc2oc(SCC(=O)NCCc3ccccc3)nc2c1,CID2383742,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)NCc2ccco2)cc1,CID5309588,0.0,,,,,,0.0,,,,,,,,,,
Cc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)NCc2ccco2)cc1,CID3235653,0.0,,,,,0.0,0.0,,,,0.0,,,,,0.0,0.0
Cn1cccc1Cc1nnc(SCC(=O)NCc2ccco2)n1-c1ccc(F)cc1,CID3245868,0.0,,,,0.0,,,,,,,,0.0,,,,
CC(C)C1C(C#N)=C(N)SC(N)=C1C#N,CID750014,,,,,,,,,,0.0,,,,,,,
CCC(CC)C1C(C#N)=C(N)SC(N)=C1C#N,CID783011,,,,,,,,,,0.0,,,,,,,
CC(C)CC1C(C#N)=C(N)SC(N)=C1C#N,CID766383,,,,,,,0.0,,,,,,,,,,
CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3CCc4ccccc43)ccc21,CID5309583,,,0.0,0.0,,,,0.0,,,,,,,,,
CC(C)CCNC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3CCc4ccccc43)ccc21,CID5309137,,,,,,,0.0,,,,,,,,,,
CC(C)(C)NC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3CCc4ccccc43)ccc21,CID5309955,,,,,,,,,,0.0,0.0,,,,,,
CN1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)CC1,CID1070224,0.0,,,,0.0,,,,,,0.0,,0.0,,,,
CN1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CC1,CID2333550,0.0,,0.0,,0.0,,,,,,0.0,,,,,0.0,
Cc1ccc(C(=O)N2CCN(C)CC2)cc1S(=O)(=O)N1CCCCC1,CID2390805,,,0.0,,0.0,,,,,,,,,,,,
CSc1nnc2c3cc(F)ccc3n(Cc3ccccc3)c2n1,CID2989855,,,,,,,,,,,,,0.0,,,,0.0
CSc1nnc2c3cc(C)ccc3n(Cc3ccccc3)c2n1,CID6400963,,,,,,,,,,,,,,0.0,,,
CSc1nnc2c3ccccc3n(Cc3ccccc3)c2n1,CID2968669,0.0,,,,,,0.0,,,,,,,,,,
COc1cccc(CNC(=O)Cn2c(=O)oc3ccccc32)c1OC,CID5307389,,,,,,,,0.0,,,,,,,,0.0,
CCCOc1ccc(CNC(=O)Cn2c(=O)oc3ccccc32)cc1,CID9550440,,,,,,,,,,,,0.0,,,,,
CCOc1ccccc1CNC(=O)Cn1c(=O)oc2ccccc21,CID9550183,,,,,,,,,,,,0.0,,,,,
Cc1ccc(-n2nc3cc(C)c(NC(=O)c4cccnc4)cc3n2)cc1,CID737755,,,,,,,,,,,0.0,0.0,,,,,
O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1cccnc1,CID647866,,0.0,,0.0,,,,,,,,0.0,0.0,,,0.0,
COc1ccc(-n2nc3cc(C)c(NC(=O)c4cccnc4)cc3n2)cc1,CID648452,,0.0,0.0,0.0,,,,0.0,,,,,,,0.0,,
Cc1cc(-c2cccs2)n[nH]1,CID737750,,,,0.0,,,,,,,,,0.0,,,,0.0
CCOC(=O)c1cc(-c2cccs2)nn1CCC#N,CID2421472,,0.0,0.0,0.0,,0.0,,,,,,,0.0,,,,0.0
FC(F)(F)c1cc(-c2cccs2)n[nH]1,CID612732,,,,,,,,,,,,0.0,,,,,
COC(=O)C1CCN(c2cc(=O)n(C3CCCCC3)c(=O)[nH]2)CC1,CID3241826,,,0.0,,,,,,0.0,,,,0.0,0.0,,,
CCOC(=O)C1CCN(c2cc(=O)n(C3CCCCC3)c(=O)[nH]2)CC1,CID3243367,0.0,,,,,,,0.0,0.0,,,,,0.0,,,
CC1CCN(c2cc(=O)n(C3CCCCC3)c(=O)[nH]2)CC1,CID3571735,,,,,,,,,,,,,,,0.0,,
Cn1nc(-c2ccccc2)c(COC(=O)c2cccc(Cl)c2)c1S(=O)(=O)c1ccccc1,CID1479292,,,,,,0.0,,,,,0.0,0.0,,,,,
Cc1ccc(S(=O)(=O)c2c(COC(=O)c3ccccc3Cl)c(-c3ccccc3)nn2C)cc1,CID3768163,,,,,,0.0,,,,,,,,,,,
Cc1ccc(S(=O)(=O)c2c(COC(=O)c3ccc(Cl)cc3)c(-c3ccccc3)nn2C)cc1,CID3782056,,,,,,,,,,0.0,,,,,,,
O=C(NCc1cccs1)c1cccnc1C(=O)O,CID3237026,,,,,,,,,,,0.0,,,,,,
O=C(NCc1cccs1)c1cccnc1Cl,CID903758,,,,,,,,,,,,,,0.0,,,
CCN(CC)c1ncccc1C(=O)NCc1cccs1,CID650596,,,,0.0,,,,,,,0.0,,,,0.0,,0.0
CN(C)S(=O)(=O)c1ccc(-c2csnn2)s1,CID2769278,,,,,,,,,0.0,0.0,,,,,,,
CCC(C)NS(=O)(=O)c1ccc(-c2csnn2)s1,CID2769281,,,,,,,,,0.0,,0.0,,,,0.0,,
CC(C)(C)NS(=O)(=O)c1ccc(-c2csnn2)s1,CID1489621,,,,,,,,,,,,,,0.0,,,
CCc1[nH]nc2c1C(c1ccc(Br)s1)C(C#N)=C(N)O2,CID658378,,,,,,,,,0.0,,0.0,0.0,,,,,
CCCc1[nH]nc2c1C(c1ccc(Br)s1)C(C#N)=C(N)O2,CID3156357,0.0,,,,,,,,0.0,,0.0,,,,,0.0,
COCc1[nH]nc2c1C(c1sccc1C)C(C#N)=C(N)O2,CID658004,,,,,,,,,,0.0,,,,,,,
COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCOCC3)cc2)cc1,CID1095430,,,,,,,,0.0,,0.0,,,,,,0.0,
COc1cccc(S(=O)(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)c1,CID984653,,,0.0,,,,,,,0.0,,,,,,0.0,
COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCOCC3)cc2)cc1OC,CID1289307,,,,,0.0,,,0.0,,,,,0.0,,0.0,1.0,
Cc1cc(CNC(=O)COc2ccc(C)c(C)c2)c2ccccc2n1,CID4915925,,,,,,,,,,,,,,0.0,,,
Cc1cc(CNC(=O)COc2ccc(C#N)cc2)c2ccccc2n1,CID1506838,,,,,,,,,,,,,,0.0,,,
Cc1cc(CNC(=O)COc2ccccc2)c2ccccc2n1,CID1504524,,,,,,,,,,,,,,0.0,,,
CC1Cc2ccccc2N1C(=O)CSc1nnc(CSc2ncccn2)n1C,CID655161,,0.0,,0.0,,,0.0,,,,,,,,,0.0,0.0
CCn1c(CSc2ncccn2)nnc1SCC(=O)N1c2ccccc2CC1C,CID656065,,,,0.0,,,0.0,,,,,,0.0,,,0.0,
CCn1c(CSc2ncccn2)nnc1SCC(=O)N1CCc2ccccc21,CID647325,0.0,0.0,0.0,,,0.0,0.0,,,,,,,,,,
Clc1ccc(CSc2nnc(-c3cccnc3)o2)cc1,CID856031,,,,,,,,,,0.0,,,,,,,
Cc1ccc(CSc2nnc(-c3cccnc3)o2)cc1,CID3135481,,,,,,,,,,0.0,,,,,,,
Cc1ccc(C)c(CSc2nnc(-c3cccnc3)o2)c1,CID653798,0.0,0.0,0.0,0.0,0.0,,,0.0,,,,,0.0,,,0.0,
CCSc1nnc(NC(=O)CSC2=NN/C(=C3\C=Nc4ccccc43)N2C)s1,CID5310492,,,,,,,,,,,,,,,,0.0,
CCc1nnc(NC(=O)CSC2=NN/C(=C3\C=Nc4ccccc43)N2CCOC)s1,CID5771366,,0.0,,,,,,,,,0.0,,,,,,
CCc1nnc(NC(=O)CSC2=NN/C(=C3\C=Nc4ccccc43)N2CC)s1,CID5771344,,,,0.0,,0.0,,,,,,,,,,,
CC(C)Nc1nc(N(c2ccccc2)c2ccccc2)nc(-n2ccnc2)n1,CID1266461,,,0.0,0.0,,,,,,,0.0,,,,,,
C=CCNc1nc(N(c2ccccc2)c2ccccc2)nc(-n2ccnc2)n1,CID3244597,0.0,0.0,,,,,,,,,,,,,,,
COc1nc(N(c2ccccc2)c2ccccc2)nc(-n2ccnc2)n1,CID715516,,,,,,,,,0.0,0.0,,,0.0,,,,
O=C1COc2cccnc2N1,CID88499,,,,0.0,,,,0.0,,,,,,,,0.0,
O=C1Nc2ncccc2OC1CCO,CID5168307,,,,,,,,,,0.0,,,,,,,
O=C1Nc2ncccc2OC1CCCl,CID3644169,,,,,,,,,,,,0.0,,,,,
CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1nccs1,CID1315800,,,,,,,,,0.0,0.0,,,,,,,
Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3ncc(C)s3)n2C)c1,CID1021210,0.0,,0.0,0.0,0.0,,0.0,,0.0,0.0,0.0,0.0,0.0,,,0.0,
Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3nccs3)n2C)c1,CID1021211,0.0,0.0,,0.0,0.0,,0.0,,,0.0,,0.0,,,,0.0,0.0
CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(OCc3ccccc3)cc2)C1c1ccncc1,CID5389810,,,,,,,,0.0,,,,,,,,,
Cc1cc(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)C2c2ccncc2)ccc1OCc1ccccc1,CID5389253,,,,0.0,,,,,,,,,,,,,
Cc1cccc(COc2ccc(/C(O)=C3\C(=O)C(=O)N(CCN(C)C)C3c3ccncc3)cc2)c1,CID5389413,,,,,,0.0,0.0,,,,,,,,,,0.0
COc1cc2cc(CN(Cc3ccc4c(c3)OCO4)C(=O)c3ccco3)c(=O)[nH]c2cc1OC,CID1466991,,,,,,,,,0.0,0.0,,,,,,,
CCc1ccc2[nH]c(=O)c(CN(Cc3ccc4c(c3)OCO4)C(=O)c3ccco3)cc2c1,CID649863,0.0,,0.0,0.0,,,,,,0.0,,,,,,,
Cc1cc2cc(CN(Cc3ccc4c(c3)OCO4)C(=O)c3ccco3)c(=O)[nH]c2cc1C,CID653084,0.0,,0.0,,,,,,0.0,,,0.0,,0.0,,,
CCC1CCCCN1CCNS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O,CID3245848,,,,,,,,,,,,,,,,,0.0
CC(=O)N1CCc2cc(S(=O)(=O)NCCN3CCC(C)CC3)ccc21,CID3243946,,,,,,0.0,,,,,,,,,,,
CCC(=O)N1CCc2cc(S(=O)(=O)NCCN3CCCCC3CC)ccc21,CID3241922,,,0.0,,,,,,,,,,,,,,
Cc1ccc(CC2CC(=O)N(CCc3ccc4c(c3)OCO4)C2=O)cc1,CID2879857,0.0,0.0,,0.0,,,,,,,,,,,,,0.0
COc1cccc(CC2CC(=O)N(CCc3ccc4c(c3)OCO4)C2=O)c1,CID2913158,,,,,,,,,,,,,,,0.0,,
O=C1CC(Cc2ccccc2)C(=O)N1CCc1ccc2c(c1)OCO2,CID2879715,0.0,,0.0,,,,,0.0,,,0.0,,,,,,
O=C(Nc1cccc(-c2cnc3ccccc3n2)c1)c1ccccc1,CID952057,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C(=O)Nc2cccc(-c3cnc4ccccc4n3)c2)cc1,CID2230158,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(=O)Nc2cccc(-c3cnc4ccccc4n3)c2)cc1,CID1217750,,,,,,,,,,,,0.0,,,,,
COc1ccc(Cc2nnc(NC(=O)c3ccco3)s2)cc1,CID1409689,,,,,,,,,,,0.0,,,,,,
O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1ccco1,CID796709,,,,,,,,,,,0.0,0.0,,,0.0,,
COc1ccc(Cc2nnc(NC(=O)c3ccco3)s2)cc1OC,CID654084,0.0,,,,0.0,,0.0,,,,,,,,,0.0,0.0
Clc1ccc(OCc2nn3c(C4CCCCC4)nnc3s2)cc1,CID665702,0.0,0.0,0.0,,0.0,,,,,,,,,,0.0,,0.0
c1ccc(OCc2nn3c(C4CCCCC4)nnc3s2)cc1,CID663793,0.0,0.0,,,,,0.0,,,,0.0,,,0.0,,,
Clc1ccc(OCc2nn3c(C4CCCCC4)nnc3s2)c(Cl)c1,CID663126,0.0,,,,0.0,,,,,,,,,,,,
O=c1nc(-c2ccccc2F)c2cc(Cl)ccc2[nH]1,CID4564737,,,,,,0.0,,,,,,,,,,,
O=c1nc(-c2ccccc2)c2cc(Cl)ccc2[nH]1,CID63204,0.0,,,,,,,,,0.0,,0.0,,,,,0.0
O=c1nc(-c2ccccc2)c2ccccc2[nH]1,CID63430,,,0.0,,,0.0,0.0,0.0,,,0.0,,,,,0.0,
Cc1ccc(-c2nc3sc4c(c3c(=O)n2N)CC(C)(C)OC4)cc1,CID930697,,,,,,,,,,,0.0,,,0.0,0.0,,
CC1(C)Cc2c(sc3nc(-c4ccccc4)n(N)c(=O)c23)CO1,CID840141,,,,,,0.0,,,,,0.0,,,,,,
CC1(C)Cc2c(sc3nc(-c4ccccc4Cl)n(N)c(=O)c23)CO1,CID1361768,,,,,,,,,,0.0,,,,,,,
CC1CN(S(=O)(=O)c2ccc(NC(=O)C3=C/C(=C4/C=CC=CC4=O)NN3)cc2)CC(C)O1,CID5390013,,,,0.0,,,,,,,,,0.0,,,,
CC1=C/C(=C2/C=C(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)NN2)C(=O)C(C)=C1,CID5389984,,0.0,,0.0,,,,0.0,,,,,0.0,,,,
CC1=CC(=O)/C(=C2\C=C(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)NN2)C=C1C,CID5390087,,0.0,,0.0,,,,,,,,,0.0,,,,
COc1ccc(C2CC(=O)C3=C(C2)N=C2N=CNN2C3c2ccccc2C)cc1,CID5390014,,,0.0,,,,,,0.0,,,,,,,,
COc1ccc(C2CC(=O)C3=C(C2)N=C2N=CNN2C3c2ccccc2C)c(OC)c1,CID5390032,,,0.0,0.0,,,,,,,,,,,,,
COc1ccc(C2CC(=O)C3=C(C2)N=C2N=CNN2C3c2ccccc2)cc1,CID5740735,,,,,,,,,,,,,,,,,0.0
CCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)c2cccnc12,CID3239518,,,0.0,,0.0,,,,,,0.0,,,,0.0,,0.0
CCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c2cccnc12,CID3242540,0.0,,,,,,,,,,,0.0,,,0.0,,
CCOc1ccc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)c2cccnc12,CID3241187,,,,,0.0,0.0,,,,,0.0,,,,,,0.0
O=C(NCc1ccccc1)c1ccc(CS(=O)(=O)c2ccccc2)o1,CID6619549,,,,,,0.0,,,,,,,,,,,
COc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCc3ccc(F)cc3)o2)cc1,CID5307513,,,,,,,,,,,,,0.0,,,,
COc1ccccc1CNC(=O)c1ccc(CS(=O)(=O)c2ccccc2OC)o1,CID3242702,,,,,,,,,0.0,,0.0,,,,,0.0,
COC(=O)Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(C)c(C)c2)n(C)c1=O,CID5310307,,0.0,,,,,0.0,,,,,,,,,,
COc1ccc(N2CC(C)Cn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1,CID664230,,0.0,,,,,,0.0,,,,,,,,0.0,
C=CCn1c(=O)c2c(nc3n2CC(C)CN3c2cccc(OC)c2)n(C)c1=O,CID5310356,,,,,,0.0,,,,,,,,,,,
O=C1NC(=S)SC1=C1CCCCCC1,CID659551,,,0.0,,,,,,,0.0,,,0.0,,,,
O=C(O)CCN1C(=O)C(=C2CCCCCC2)SC1=S,CID659433,,,0.0,,0.0,,0.0,,0.0,0.0,,,,0.0,0.0,,
CN1C(=O)C(=C2CCCCCC2)SC1=S,CID659527,,,,,0.0,,0.0,,,0.0,,,,,,,
COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)C(C)N1CCN(C2CCCCC2)CC1,CID659552,0.0,0.0,,,,,,0.0,0.0,,,,0.0,0.0,,0.0,0.0
COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CN1CCN(C2CCCCC2)CC1,CID658723,0.0,,,,,,,,0.0,,0.0,,,,,,
COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)C(C)N1CCN(C2CCCCC2)CC1,CID660027,0.0,,,,,,0.0,,0.0,,,,,,,0.0,0.0
O=C(NCc1nc2ccccc2[nH]1)c1ccco1,CID659559,,,,0.0,,,0.0,0.0,0.0,,,0.0,,0.0,,,
CCCCCCn1c(C(C)NC(=O)c2ccco2)nc2ccccc21,CID660245,,0.0,,,,,0.0,0.0,,0.0,,0.0,,,,0.0,
CCCC(NC(=O)c1ccco1)c1nc2ccccc2[nH]1,CID3725337,,,,,,,,,,,,,,,0.0,,
Cc1ccc(N2C(=O)C(Cl)=C(Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1,CID1177169,0.0,,0.0,,0.0,,,,,,,,0.0,,,,
Cc1c(NC2=C(Cl)C(=O)N(c3ccccc3)C2=O)c(=O)n(-c2ccccc2)n1C,CID1177165,0.0,,,,,,0.0,,,,,,,,,,
COc1ccc(N2C(=O)C(Cl)=C(Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1,CID1177170,0.0,,,,,,,,,,,,0.0,,,,
CCOc1cc(C2NC(=O)NC(O)(C(F)(F)F)C2C(=O)c2ccc(Cl)cc2)ccc1O,CID2911939,,,,,,,,,,,,0.0,,,,,
COc1ccc(C2NC(=O)NC(O)(C(F)(F)F)C2C(=O)c2ccc(F)cc2)cc1,CID660342,,,,,,,,,0.0,,,,,,,,0.0
CCOc1cc(C2NC(=O)NC(O)(C(F)(F)F)C2C(=O)c2ccccc2)ccc1OC,CID2920844,,,,,,,,,,,,0.0,,,,,0.0
COc1ccc(-n2c(N)c(Br)c(=O)[nH]c2=O)cc1,CID1251957,0.0,,,,,,,,0.0,,,0.0,,0.0,,,0.0
Nc1cc(=O)[nH]c(=O)n1-c1cccc(F)c1,CID1526900,,,,,,,,,,,,,,,0.0,,
CCCNc1c(N)n(-c2ccccc2)c(=O)[nH]c1=O,CID2224200,,,,,,,,,,,,0.0,,,,,
COc1ccc(N2CCN(C(c3cccs3)c3nnnn3C3CCCC3)CC2)cc1,CID646150,0.0,,,,,,,,,,,,0.0,,,0.0,
Fc1ccc(N2CCN(C(c3cccs3)c3nnnn3C3CCCC3)CC2)cc1,CID646741,0.0,,,,,,,,,,0.0,,,,,,
COc1ccccc1N1CCN(C(c2cccs2)c2nnnn2C2CCCC2)CC1,CID655956,0.0,,,,,,,,,,,,,,,,
Cc1ccccc1OCc1nc(-c2ccc(-n3cccc3)cc2)no1,CID4613977,0.0,0.0,,,,,,,,,,,,,,,
Cc1ccc(OCc2nc(-c3ccc(-n4cccc4)cc3)no2)cc1C,CID1504378,,,,,,0.0,,,,,,,,,,,
Cc1cccc(OCc2nc(-c3ccc(-n4cccc4)cc3)no2)c1,CID4614067,,,,,,0.0,,,,,,,,,,,
CC(C)Cn1c(SCC(=O)c2ccc(Cl)s2)nnc1-c1ccco1,CID2571413,,,,,0.0,0.0,,,0.0,,,,,0.0,,,
Cn1c(SCC(=O)c2cccs2)nnc1-c1ccco1,CID655549,0.0,,,0.0,0.0,0.0,0.0,,0.0,,0.0,,0.0,0.0,,,
CCn1c(SCC(=O)c2cccs2)nnc1-c1ccco1,CID644745,0.0,,0.0,0.0,0.0,0.0,1.0,,,0.0,0.0,,,,,,
Cc1ccc(-n2c(N)c(C(=O)N3CCOCC3)sc2=S)cc1,CID891289,0.0,0.0,,0.0,,,,,0.0,0.0,,,0.0,,,,
Nc1c(C(=O)N2CCOCC2)sc(=S)n1-c1ccccc1,CID866380,,0.0,,0.0,,,,,,0.0,,,,0.0,,,
Cc1ccc(-n2c(N)c(C(=O)N3CCOCC3)sc2=S)c(C)c1,CID1970183,0.0,,,,,0.0,,,0.0,,,,,0.0,,,
CCCn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1ccco1,CID647500,0.0,0.0,0.0,,0.0,0.0,0.0,0.0,,,,,,0.0,,0.0,0.0
CCCn1c(SCC(=O)N2c3ccccc3CC2C)nnc1-c1ccco1,CID3214924,,,,,,,,,0.0,,,,,,,,
CCn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1ccco1,CID1071835,,,,,,0.0,,,,,,,,,,,
CCc1nnc(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)n2C)s1,CID647504,,,,0.0,0.0,,,,,,,,,,,0.0,
CCc1nnc(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)n2CC)s1,CID3171999,,,,,,,,,,,,0.0,,,,,
Cc1nnc(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)n2C)s1,CID645000,,,,0.0,0.0,,,,,,,0.0,,,,,
CCOC(=O)C1CCN(C(=O)COc2ccc3ccccc3c2)CC1,CID846269,,,,,,0.0,,,,,,,,,,,
NC(=O)C1CCN(C(=O)COc2ccc3ccccc3c2)CC1,CID1117184,,,,,,,,,,,,0.0,,,,,
CC1CCCC(C)N1C(=O)COc1ccc2ccccc2c1,CID2888270,,,,,,0.0,,,,,,,,,,,
CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1,CID71188,,,0.0,0.0,,,,0.0,,,,,,,,,
CNC(=S)N1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC)CC1C,CID3734129,,,,,,,,,,,0.0,0.0,,,,,
COc1c(N2CCNC(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12,CID5379,,,,,,,0.0,0.0,,,,,,,,,
NC1=NC(c2ccc(F)cc2)N2C(=N1)Nc1ccccc12,CID5742520,,,,,,,,,0.0,,,,,,,,
NC1=NC(c2ccccc2Cl)N2C(=N1)Nc1ccccc12,CID5742512,,0.0,,,,,,,,,,,,,,,
NC1=NC(c2ccc(Cl)cc2)N2C(=N1)Nc1ccccc12,CID5742567,0.0,,,,,,,,,,,,,,,1.0,
O=C(CSc1nnc(-c2cccnc2)n1-c1ccc(F)cc1)NCc1ccc2c(c1)OCO2,CID1150213,,,,,,,,,,,0.0,,,,,,
O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)NCc1ccc2c(c1)OCO2,CID661599,0.0,,,,0.0,0.0,0.0,,,,0.0,,0.0,,,0.0,0.0
Cc1ccc(-n2c(SCC(=O)NCc3ccc4c(c3)OCO4)nnc2-c2cccnc2)c(C)c1,CID2549718,,,,,,,,,,,0.0,,,,,,
Cc1noc(C)c1CSc1nnc2c(C)cc3ccccc3n12,CID2059709,0.0,0.0,0.0,,,,,,,,,,,,,0.0,
Cc1noc(C)c1CSc1nnc2ccc3ccccc3n12,CID2190751,0.0,0.0,,,,,0.0,,,,,,0.0,,,,
Cc1noc(C)c1CSc1nnc2cc(C)c3ccccc3n12,CID727628,0.0,0.0,,,,0.0,0.0,,,,,,0.0,,,,
O=C(CN1CC(c2ccccc2)CC1=O)Nc1ccc(F)cc1,CID5307809,,,,0.0,,,,,,,,,,,,,
O=C(CN1CC(c2ccccc2)CC1=O)Nc1cccc(F)c1,CID5309363,,,,,,,,0.0,,,,,0.0,,,,
COc1cc(NC(=O)CN2CC(c3ccccc3)CC2=O)cc(OC)c1,CID5307637,,,,0.0,,,0.0,,,,,,,,,,
CCCCn1c(SCC(=O)N2CCCC2)nc2cc(S(N)(=O)=O)ccc21,CID7897207,,,,,,,,,,,,,,,0.0,,
Cc1ccc2nc(SCC(=O)N3CCCC3)[nH]c2c1,CID2523454,,,,0.0,,0.0,,,,,,,0.0,,0.0,0.0,0.0
Cc1ccc2nc(SC(C)C(=O)N3CCCC3)[nH]c2c1,CID2998127,,0.0,0.0,0.0,,,0.0,0.0,,,0.0,0.0,,,,,
CCn1c(SCC(=O)N2CCOCC2)nc2sc3c(c2c1=O)CCCC3,CID660755,0.0,,,0.0,0.0,,0.0,,,0.0,0.0,,,,,,
Cn1c(SCC(=O)N2CCOCC2)nc2sc3c(c2c1=O)CCCC3,CID649357,0.0,,0.0,,0.0,,0.0,,,0.0,,,,0.0,,,
C=CCn1c(SCC(=O)N2CCOCC2)nc2sc3c(c2c1=O)CCCC3,CID1123742,,0.0,0.0,0.0,0.0,,,,,0.0,,,0.0,,,,0.0
O=C(NCCCn1ccnc1)Nc1ccc(Cl)cc1,CID2804810,0.0,,,,,,,,,,,,,,,,
O=C(NCCCn1ccnc1)Nc1ccc(Cl)c(Cl)c1,CID649248,0.0,,,,,,,,,,,,,,,,
O=C(NCCCn1ccnc1)Nc1cccc(Cl)c1,CID2932800,0.0,0.0,0.0,,,,,,,,,0.0,,,,0.0,0.0
Cc1cc(C)c(OCC(=O)Nc2cccc(NC(=O)c3ccco3)c2)c(Br)c1,CID1333937,,,,,,,,,0.0,,0.0,,,,,,0.0
Cc1ccccc1OCC(=O)Nc1cccc(NC(=O)c2ccco2)c1,CID2173787,0.0,0.0,,0.0,,,0.0,,,,,0.0,0.0,,,,
Cc1cccc(C)c1OCC(=O)Nc1cccc(NC(=O)c2ccco2)c1,CID2221829,0.0,,0.0,0.0,,,0.0,0.0,,,,0.0,0.0,,,,0.0
O=C(NC(=S)Nc1cccc(Cl)c1N1CCCCC1)c1cccs1,CID1254644,,,,,,,,,,,,,,0.0,0.0,,
O=C(NC(=S)Nc1ccccc1N1CCCCC1)c1cccs1,CID889832,,,,,,,,,,,,,,,0.0,,
CC1CCN(c2ccccc2NC(=S)NC(=O)c2cccs2)CC1,CID2953983,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-c2cc(C(=O)O)c3sc(N4CCCCC4)nc3n2)cc1,CID4962025,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1cc(-c2ccccc2)nc2nc(N3CCCCC3)sc12,CID2416343,,,,,,,,,,,,,,0.0,,,
O=C(O)c1cc(-c2ccccc2)nc2nc(N3CCCCC3)sc12,CID2560413,,,,,,,,,,,,,,0.0,,,
O=Cc1ccc2oc3nc4n(c(=O)c3c(=O)c2c1)CCCS4,CID935894,,,,,,,,,,,,0.0,,,,,
O=c1c2ccccc2oc2nc3n(c(=O)c12)CCCS3,CID396090,,,0.0,,,,,0.0,,0.0,,,,,0.0,0.0,
O=c1c2cc(Cl)ccc2oc2nc3n(c(=O)c12)CCCS3,CID664518,,0.0,,,,,,,,,,,0.0,,,,0.0
CON(C)S(=O)(=O)c1ccc2c(c1)N(Cc1ccc(C)cc1)C(=O)C1CCCN21,CID2768405,,,,,,,,,,,,,,0.0,,,
Cc1ccc(CN2C(=O)C3CCCN3c3ccc(C#N)cc32)cc1,CID3773766,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C)c(CN2C(=O)C3CCCN3c3ccc(C#N)cc32)c1,CID5169124,,,,,,0.0,,,,,,,,,,,
CCNC(=S)N/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21,CID5529576,,,,,,,,,,,,,,0.0,,,
CC(=O)O/N=C1/C(=O)N(Cc2ccc(C)cc2)c2ccccc21,CID2766835,,,,,,,,,,,,,,0.0,0.0,,
O=C1/C(=N\O)c2ccccc2N1Cc1cccc(Cl)c1,CID9581780,,,,,,,,,,,,,,0.0,,,
O=C(Cc1ccccc1)Nc1ccccc1N1CCOCC1,CID960143,,,,,,,,,,,,0.0,,,,,
Cc1ccc(CC(=O)Nc2ccccc2N2CCOCC2)cc1C,CID2677661,,,,,,,,,,,0.0,,,,0.0,,
O=C(Cc1ccc(Cl)cc1)Nc1ccccc1N1CCOCC1,CID897379,,,,,,,,,,0.0,0.0,,,0.0,,,
CN(c1ccc(C(=O)NCC2CCCO2)cc1)S(=O)(=O)c1ccccc1,CID2865995,,0.0,,,,,0.0,,,,,,0.0,,,,0.0
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCC3CCCO3)cc2)cc1,CID2947980,,,,,,0.0,,,,,,,,,,,
COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCC3CCCO3)cc2)cc1,CID2973189,,,,,0.0,,,,,0.0,,,,,,0.0,0.0
O=S(=O)(NCCSc1ccccc1)c1ccc2c(c1)OCCO2,CID2897360,,,,,,,,,,,,,,,0.0,,
Cc1ccc(SCCNS(=O)(=O)c2ccc3c(c2)OCCO3)cc1,CID2951388,,,0.0,0.0,,,0.0,,,0.0,0.0,,,,,,
O=S(=O)(NCCSc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2,CID662403,,,0.0,0.0,,,,,,,,,,,,0.0,
O=C(NCc1ccco1)C1=CNN2C1=NC(c1ccccc1)CC2C(F)(F)F,CID5347520,,,,,,,,,,,,,,0.0,,,
O=C(NCc1ccco1)C1=CNN2C1=NC(c1ccc(Br)cc1)CC2C(F)(F)F,CID5310826,,,,,,,0.0,,,,,,,,,,
Cc1ccc(C2CC(C(F)(F)F)N3NC=C(C(=O)NCc4ccco4)C3=N2)cc1,CID5764608,,,0.0,,,,,,,,,,,,,,
CCOC(=O)N1CCN(C(=O)c2cn(CC)c3ccc(S(=O)(=O)N4CCCC4)cc3c2=O)CC1,CID3238877,,,,,,,,,,,0.0,,,,,,0.0
CCOC(=O)N1CCN(C(=O)c2cn(C)c3ccc(S(=O)(=O)N4CCCC4)cc3c2=O)CC1,CID3237766,,,0.0,0.0,,,0.0,,,0.0,,,0.0,,,,
C=CCn1cc(C(=O)N2CCN(C)CC2)c(=O)c2cc(S(=O)(=O)N3CCCC3)ccc21,CID5307568,,,,0.0,,,,,,,,,,,,,
O=C(Nc1nc(-c2ccccc2)cs1)C1CCCO1,CID2998452,,,,,0.0,,0.0,,,,,,,,,,
COc1ccc(-c2csc(NC(=O)C3CCCO3)n2)cc1,CID2999706,0.0,,,0.0,0.0,,,0.0,,,0.0,,0.0,,,,
CCOc1ccc(-c2csc(NC(=O)C3CCCO3)n2)cc1,CID2971106,0.0,0.0,0.0,0.0,0.0,,0.0,,0.0,,0.0,,0.0,,,,
Cc1nnc(SCC(=O)NCC2CCCO2)n1-c1ccccc1,CID2998459,0.0,,,,,0.0,0.0,0.0,0.0,,,,,,,,
Cc1nnc(SC(C)C(=O)NCC2CCCO2)n1-c1ccccc1,CID3000214,,0.0,0.0,0.0,,0.0,0.0,0.0,,,,,,,,0.0,
Cc1ccccc1-n1c(C)nnc1SCC(=O)NCC1CCCO1,CID2997830,0.0,0.0,0.0,,,0.0,,,,,0.0,,,,,0.0,
Cc1ccc(NC2=Nc3ccccc3CS2)cc1,CID2999727,,,0.0,,0.0,0.0,,,,,,,,,,,
c1ccc(NC2=Nc3ccccc3CS2)cc1,CID2998436,,,0.0,,0.0,,0.0,,,0.0,,,,,,,
Cc1ccccc1NC1=Nc2ccccc2CS1,CID2426182,,0.0,0.0,,0.0,0.0,,,,,,,,,,,
c1ccc(-n2cnnc2SCc2cn3ccccc3n2)cc1,CID2999726,,0.0,0.0,,,,0.0,,,,,,,,,0.0,
Cc1cccc2nc(CSc3nncn3-c3ccccc3)cn12,CID658735,0.0,,,0.0,,,0.0,0.0,,,,,,,0.0,0.0,
Clc1ccc2nc(CSc3nncn3-c3ccccc3)cn2c1,CID3755299,,,,,,0.0,,,,,,,,0.0,,,
Cc1cnc(C(=O)OCC(=O)NC2CCCC(C)C2C)cn1,CID2999725,,,,,0.0,,,0.0,,0.0,,,,,,,
CCN(C(=O)COC(=O)c1cnc(C)cn1)C1CCCCC1,CID2359762,,,,0.0,,,,,,,,,,,0.0,,
Cc1cnc(C(=O)OCC(=O)NC2CCCCC2)cn1,CID2435198,,,0.0,,,,0.0,,0.0,,,,,,,,
Cc1nc2ccc(NC(=O)N3CCCCC3)cc2nc1C,CID804520,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C1CCN(C(=O)Nc2ccc3nc(C)c(C)nc3c2)CC1,CID647509,,,,,,,,,,0.0,0.0,,,,0.0,,
CCOC(=O)C1CCN(C(=O)Nc2ccc3nccnc3c2)CC1,CID798081,,,,,,,,,,,0.0,,,,0.0,,
CN(C(=O)C12CC3CC(CC(C3)C1)C2)C1CCS(=O)(=O)C1,CID2874056,,,,,,,,,0.0,,,,,0.0,,0.0,
CC1(NC(=O)C23CC4CC(CC(C4)C2)C3)CCS(=O)(=O)C1,CID658800,,,,,,,,0.0,0.0,,,,,,,,0.0
O=C(NC1CCS(=O)(=O)C1)C12CC3CC(CC(C3)C1)C2,CID2729769,,,,,,,0.0,,,,,,,,,,
Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCC3=CCCCC3)ccc2Cl)c1,CID1249608,,,,,,,,,,,,0.0,,0.0,0.0,,
O=C(NCCC1=CCCCC1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1,CID1255373,,,,,,,,,,,,0.0,,,0.0,,
Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCC2=CCCCC2)ccc1Cl,CID1263381,,,,,,,,,,,,0.0,,,,,
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCc1ccccn1,CID1238114,,,,,,,,,,,,,,0.0,,,
COc1ccccc1/C=C/C(=O)NCc1ccccn1,CID2178035,,,,,,,,,,,,,,0.0,,,
COc1ccc(/C=C/C(=O)NCc2ccccn2)cc1,CID882473,,,,,,,,,,,,,,0.0,,,
O=C(O)c1nc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1,CID900922,,,,,,0.0,,,,,,,,,,,
CC(C)CNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1,CID2107599,,,,,,0.0,,,,,0.0,,,,0.0,,
O=C(O)CNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1,CID900899,,,,,,,,,,,,,,,0.0,,
Cc1cnc(NC(=O)C2CCCC2)s1,CID2579380,,,,,,0.0,,,,,,,,,0.0,,
Cc1csc(NC(=O)C2CCC(C)(C(=O)O)C2(C)C)n1,CID3237823,,,0.0,,,,,,,,,,,,,,
Cc1csc(NC(=O)C2CCCC2)n1,CID2679296,,,,,,,,,,,,,,,0.0,,
CCCS(=O)(=O)N1CCCC(C(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)C1,CID3242966,0.0,0.0,0.0,,0.0,,,,,,,,0.0,,,,
CCCS(=O)(=O)N1CCCC(C(=O)NCCCN2CCN(c3ccc(F)cc3)CC2)C1,CID3240345,0.0,,,,,,,,,0.0,,,,,,,
CCCS(=O)(=O)N1CCCC(C(=O)NCCCN2CCN(c3ccccc3F)CC2)C1,CID3238054,0.0,,,,,,0.0,0.0,,,,,,,,,
O=C(O)C1CCCN1c1ncnc2c1oc1ccccc12,CID663457,0.0,,,,,,,,,0.0,,,0.0,,0.0,,
Cc1nc(N2CCCC2C(=O)O)c2oc3ccccc3c2n1,CID664642,,,0.0,0.0,,,,,,,,0.0,,,,,
CCc1nc(N2CCCC2C(=O)O)c2oc3ccccc3c2n1,CID664156,,,,0.0,,,,,,0.0,,,,,,,
CCOC(=O)C1CCN(C(=O)Cn2cc(C(=O)C3CC3)c3ccccc32)CC1,CID2229706,0.0,,0.0,,0.0,,0.0,,0.0,0.0,,,,0.0,,,
O=C(c1cn(CC(=O)N2CCCCC2)c2ccccc12)C1CC1,CID649076,0.0,0.0,,,,0.0,,,,,,0.0,0.0,,0.0,,
CC1CCN(C(=O)Cn2cc(C(=O)C3CC3)c3ccccc32)CC1,CID963190,,,,,,,,,0.0,,,0.0,,,,,
C=CCn1cc(C(=O)NCc2cccnc2)c(=O)c2cc(S(=O)(=O)N(CC)CC)ccc21,CID5307794,,0.0,,,,,,0.0,,0.0,,,,,,,
CCCn1c(O)c(C(=O)NCc2cccnc2)c(=O)c2ccccc21,CID758852,0.0,,0.0,,,,,,0.0,,,,,,,,
CCn1c(O)c(C(=O)NCc2cccnc2)c(=O)c2ccccc21,CID650206,,0.0,,,,,,,,,,,0.0,,,,
Fc1ccc(-c2nnc(NC3=NCCCCC3)o2)cc1,CID1516852,,,,,,0.0,,,,,,0.0,,,,,
Clc1ccc(-c2nnc(NC3=NCCCCC3)o2)cc1,CID658858,0.0,0.0,,,,0.0,,,0.0,,,,0.0,,0.0,,0.0
CCOc1ccc(-c2nnc(NC3=NCCCCC3)o2)cc1,CID2123627,,,,,,,,,,,,0.0,,,,,
CCOC(=O)Cc1nnc2c(Nc3ccc(C)cc3)nc3nonc3n12,CID654557,,,0.0,,,,,,0.0,,,,,,,,
CCOC(=O)Cc1nnc2c(Nc3ccc(Cl)cc3)nc3nonc3n12,CID647001,,0.0,,,,,,,,,,0.0,,,,,
CCOC(=O)Cc1nnc2c(Nc3ccccc3F)nc3nonc3n12,CID651849,,,,,,,0.0,,,,,,0.0,,,,
Cc1cccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)NC(=O)c2cccs2)c1,CID1893706,,,,,,,,,,,,,,,0.0,,
Cc1ccc(NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2)NC(=O)c2cccs2)cc1,CID5442636,,,,,,0.0,,,,,,,,,,,
COc1ccc(/C=C(\NC(=O)c2cccs2)C(=O)Nc2ccc(C)cc2)cc1OC,CID1946933,,,,,,,,,,,,,,,0.0,,
COc1ccc(CCNC(=O)CN(C2CCCCC2)S(C)(=O)=O)cc1,CID2304153,,,0.0,0.0,,,0.0,0.0,,0.0,,,,,,,
COc1ccc(CCNC(=O)CN(C2CCCCC2)S(C)(=O)=O)cc1OC,CID2230317,,0.0,,,,,0.0,,,0.0,,,0.0,,,0.0,
CS(=O)(=O)N(CC(=O)NCCc1ccccc1)C1CCCCC1,CID1815821,,,,,,,,,,,,0.0,,,,,
Cc1ccc(-c2[nH]nc3c2C(c2ccsc2)C(C#N)=C(N)O3)cc1,CID2961967,,,,,,,,,,,0.0,,,,,,
N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2C1c1ccsc1,CID3155420,,,,,,,,,,0.0,0.0,,,,,,
COc1cccc(-c2[nH]nc3c2C(c2ccsc2)C(C#N)=C(N)O3)c1,CID3743550,,,,,,,,,,,,,,,0.0,,
Cc1ccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2N)cc1,CID2387424,,,,0.0,0.0,,,,,0.0,,,,,,0.0,
COc1ccccc1-c1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1N,CID662814,,,,,0.0,,,,,,0.0,,,,,0.0,0.0
Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1N,CID662545,,,,,0.0,,,,,0.0,,,,,,,
O=C(CCCOc1ccccc1)N1CCCc2ccccc21,CID2287166,,,,,,,,,0.0,,,,,,,,
COc1ccc(OCCCC(=O)N2CCCc3ccccc32)cc1,CID651116,,,,,,,,,,0.0,,,,,,,
Cc1cc(Cl)ccc1OCCCC(=O)N1CCCc2ccccc21,CID1739929,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)cc(OCC(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1,CID2473333,,,,,,,,,,,,0.0,,,,,
Cc1cccc(OCC(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1,CID2362094,,,,,,,,0.0,,,,,0.0,,,,
Cc1cccc(OCC(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1C,CID2396214,,,,,,,,,,0.0,,,,,,,
CC(C)Oc1ccc(N2CC(C(=O)Nc3ccc(N4CCOCC4)cc3)CC2=O)cc1,CID2955664,,,,,,,,,0.0,0.0,,0.0,,,,,
COc1ccc(N2CC(C(=O)Nc3ccc(N4CCOCC4)cc3)CC2=O)cc1,CID647913,,,0.0,,,,0.0,0.0,,0.0,,,,,,,
CCOc1ccc(N2CC(C(=O)Nc3ccc(N4CCOCC4)cc3)CC2=O)cc1,CID3156692,,,,,,,,,0.0,0.0,,0.0,,,,,
COc1ccc(N(C)C(=O)c2ccc3c(c2)nnn3C)cc1,CID1088599,,,,,,,,,,,,,,,0.0,,
COc1ccccc1NC(=O)c1ccc2c(c1)nnn2C,CID1088600,,,,,,,,,,,,,,,0.0,,
Cc1ccc(NC(=O)c2ccc3c(c2)nnn3C)cc1,CID900757,,,,,,,,,,,,,,,0.0,,
COc1ccccc1C(=O)n1nc(-c2ccccc2)nc1NCc1ccco1,CID2211338,0.0,,0.0,,,,0.0,0.0,,,,,,,,,0.0
Cc1ccc(C(=O)n2nc(-c3ccccc3)nc2NCc2ccco2)cc1,CID1296309,,,,,,,,,,0.0,,,,,,,
O=C(c1ccccc1)n1nc(-c2ccccc2)nc1NCc1ccco1,CID3974873,0.0,,,,,0.0,,0.0,,,,,0.0,,,,
CC(C)COc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1,CID1015716,,,,,,0.0,,,,,,,,,,,
COc1cc(OC)cc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c1,CID1363858,,0.0,,,,0.0,0.0,0.0,,,,0.0,,0.0,,,
CCc1ccc2oc(-c3ccc(NC(=O)c4ccccc4[N+](=O)[O-])cc3)nc2c1,CID1364588,,,,,,0.0,,,,,,,,,,,
O=C(COc1ccc(Br)cc1)N(Cc1ccccc1)c1ccccn1,CID2928770,,,,,,,,,,,,,,,0.0,,
Cc1ccc(OCC(=O)N(Cc2ccccc2)c2ccccn2)cc1,CID698463,,,,,,,,,,,,,,0.0,0.0,,
O=C(COc1ccc(Cl)cc1)N(Cc1ccccc1)c1ccccn1,CID1311656,,,,,,,,,,,,,,0.0,,,
O=C(O)CCCCCN1C(=O)CSC1=S,CID78379,,,,,0.0,0.0,,,,,,,0.0,0.0,,0.0,
CC(C)OC(=O)CCCCCN1C(=O)CSC1=S,CID2132993,,,,,,,0.0,,,0.0,,0.0,,0.0,,,0.0
CC(C(=O)O)N1C(=O)CSC1=S,CID217657,,,0.0,,,0.0,,,,,,,0.0,,0.0,,
O=C(Cn1nnc2ccccc21)c1cccc([N+](=O)[O-])c1,CID2168077,,,,,,,,,,,,,,0.0,,,
O=C(Cn1nnc2ccccc21)c1ccccc1,CID761839,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C(=O)Cn2nnc3ccccc32)cc1,CID761841,,,,,,0.0,,,,,,,,,,,
COc1ccc(N2CCN(C(=O)c3ccc(N4C(=O)NC5CC4(C)Oc4ccccc45)cc3)CC2)cc1,CID3238556,0.0,,,,,0.0,0.0,,,,,0.0,,,,,
CC12CC(NC(=O)N1c1ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc1)c1ccccc1O2,CID3242094,,,0.0,,,0.0,,,,,,,,,,,
COc1cccc(N2CCN(C(=O)c3ccc(N4C(=O)NC5CC4(C)Oc4ccccc45)cc3)CC2)c1,CID3243317,0.0,,0.0,,,,,,,,,,0.0,,,,
COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1,CID1150931,,,,,,,,,0.0,,,,,,0.0,,
COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1,CID1009725,,,,,,,,,0.0,,,,,,,,
COc1cc(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc(OC)c1OC,CID2079911,,,,,,,,,,,,,0.0,,,,0.0
Cn1c(=O)cc(SCC(=O)NCC2CCCO2)c2ccc(Cl)cc21,CID3235590,,,,0.0,0.0,,,,,,,,0.0,,,0.0,
Cn1c(=O)cc(SCC(=O)NCC2CCCO2)c2ccccc21,CID3245262,,0.0,,,,,,,,,,,0.0,,,,
CCn1c(=O)cc(SCC(=O)NCC2CCCO2)c2ccccc21,CID3238690,,0.0,,0.0,,,,,0.0,,,,,,,,
COc1ccc(Cl)cc1N1C(=O)C2CCCN2C1c1sccc1C,CID3240118,0.0,0.0,0.0,0.0,0.0,0.0,,,,,,,,,,,0.0
COc1ccc(N2C(=O)C3CCCN3C2c2cccs2)cc1,CID5307549,,0.0,,0.0,,,,,0.0,,,,,,,,
O=C1C2CCCN2C(c2cccs2)N1c1ccc(Cl)cc1,CID3240120,,,,,0.0,,,,,,0.0,,,,,,0.0
CC1(C)Cc2ccccc2-c2nnc(-c3ccccc3)n21,CID697176,,0.0,,,,,0.0,,,,,,,,0.0,0.0,
CC1(C)Cc2ccccc2-c2nnc(-c3cccc(O)c3)n21,CID824791,,,,,0.0,,,,,,,0.0,,,,,
COc1ccc(-c2nnc3n2C(C)(C)Cc2cc(OC)c(OC)cc2-3)cc1,CID1414988,,,,,,,,,,,,0.0,,,,,
COc1ccc(-c2cc(C(=O)N3CCOCC3)no2)cc1OC,CID3235804,,,0.0,0.0,,,,0.0,,,,,,,,,
O=C(c1cc(-c2ccc(Cl)cc2Cl)on1)N1CCOCC1,CID1093832,0.0,,0.0,0.0,,,,,,,,,,,,,
O=C(c1cc(-c2ccc(Cl)cc2)on1)N1CCOCC1,CID3242114,,0.0,,0.0,,,,,,,,0.0,,,,,0.0
Cc1ccc(Cc2cnc(NC(=O)c3cccs3)s2)cc1,CID1113642,,,,,,0.0,,,,0.0,0.0,,,0.0,,,
O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)c1cccs1,CID1113641,,,,,,,,,0.0,,,0.0,,,0.0,,
O=C(Nc1ncc(Cc2ccccc2)s1)c1cccs1,CID644846,0.0,,,,0.0,0.0,0.0,,,0.0,,,,0.0,,0.0,
Cc1ccnc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c1,CID801380,,,,,,,,,0.0,,,,,,,,
O=S(=O)(Nc1ccccn1)c1ccc(Oc2ccccc2)cc1,CID684904,0.0,,,,,,0.0,,0.0,0.0,0.0,0.0,,,,,
Cc1cccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)n1,CID801216,,,,,,,,,0.0,0.0,0.0,,0.0,,,,0.0
COc1cccc(OCCOc2cccc(/C=C3/SC(=S)NC3=O)c2)c1,CID2272177,,,,,,0.0,,,,,,,,,,,
COc1ccccc1OCCOc1cccc(/C=C2/SC(=S)N(C)C2=O)c1,CID2273708,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C(C)C)c(OCCOc2cccc(/C=C3/SC(=S)N(C)C3=O)c2)c1,CID2272429,,,,,,0.0,,,,,,,,,,,
Cc1ccc(NC(=O)CN2C(=O)C3C4C=CC(C4)C3C2=O)cc1S(=O)(=O)N(C)C,CID4208042,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1cccc(NC(=O)CN2C(=O)C3C4C=CC(C4)C3C2=O)c1,CID3241336,,,,,,,,,,,,,,,,,0.0
CCOC(=O)c1ccc(NC(=O)CN2C(=O)C3C4C=CC(C4)C3C2=O)cc1,CID2925470,,,,,,,,,,0.0,,,,,,,
O=C(NCCC1=CCCCC1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1,CID1072776,,,,,,0.0,,,,,,,,,,,
CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)NCCC3=CCCCC3)CC2)cc1,CID1078740,,,,,,,,,,,,,,0.0,,,
O=C(NCCC1=CCCCC1)C1CCN(C(=O)c2ccc(Br)cc2)CC1,CID1004016,,,,,,,,,,,,,,,0.0,,
Cn1c(=O)oc2cc(S(=O)(=O)N3CCOCC3)ccc21,CID559418,,,,0.0,,,,0.0,,,,,,,,0.0,
CCOC(=O)n1c(=O)oc2cc(S(=O)(=O)N3CCOCC3)ccc21,CID559421,,0.0,0.0,,0.0,,,,,0.0,,,0.0,,0.0,,
COC(=O)n1c(=O)oc2cc(S(=O)(=O)N3CCOCC3)ccc21,CID674421,,,,,0.0,,,0.0,,,,,,,,,
O=C(COc1ccc(Br)cc1)Nc1ccc(Cc2ccncc2)cc1,CID1129036,,,,,,,,,,,,,,,0.0,,
O=C(COc1ccccc1)Nc1ccc(Cc2ccncc2)cc1,CID5120660,,,,,,0.0,,,,,,,,,,,
Cc1ccccc1OCC(=O)Nc1ccc(Cc2ccncc2)cc1,CID776732,,,,,,,,,,,,,,,0.0,,
CC(C)(C)n1nnnc1C(c1ccccc1)N1CCc2ccccc2C1,CID652805,0.0,,,,,,0.0,,,,,,,,,0.0,
COCCn1nnnc1C(c1ccccc1OC)N1CCc2ccccc2C1,CID654533,,0.0,,,,,0.0,0.0,,,,,,,,,
Cc1ccc(C(c2nnnn2C(C)(C)C)N2CCc3ccccc3C2)cc1,CID647716,,,,,,,,,,0.0,,,0.0,,,,
Cc1ccc(S(=O)(=O)N(CCO)c2cc3c(s2)CCCC3)cc1,CID652802,,,0.0,,,,,,,0.0,,,0.0,,,,
CC(C)OC(=O)c1c(NS(=O)(=O)c2ccccc2)sc2c1CCCC2,CID1009328,,,,,,,,,0.0,0.0,0.0,,,,,,
CC1CCc2c(sc(NS(=O)(=O)c3ccccc3)c2C(=O)OC(C)C)C1,CID4748886,,,,,,,,,,,0.0,,,,,,
Cc1cc(NC(=O)CSc2ncnc3sc4c(c23)CCC(C)C4)no1,CID2997573,0.0,0.0,,,,,,,0.0,0.0,,,,,,,
Cc1nc(SCC(=O)Nc2cc(C)on2)c2c3c(sc2n1)CCCC3,CID2612492,0.0,0.0,,0.0,0.0,,0.0,,0.0,0.0,,,,,,0.0,0.0
Cc1cc(NC(=O)CSc2nc(C(C)C)nc3sc4c(c23)CCCC4)no1,CID655499,0.0,,,,,,,,0.0,0.0,,,,,,,0.0
COc1ccc(C2C(C#N)=C(/N=C/N3CCN(C)CC3)OC3=C2C(=O)CC(C)(C)C3)cc1OC,CID664097,,,,0.0,,,,0.0,0.0,,,0.0,,,,,0.0
CN1CCN(/C=N/C2=C(C#N)C(c3ccccc3)C3=C(CC(C)(C)CC3=O)O2)CC1,CID4359825,,,,,,,,,,0.0,,,,,,,
COc1ccc(C2C(C#N)=C(/N=C/N3CCN(C)CC3)OC3=C2C(=O)CC(C)(C)C3)cc1,CID664738,0.0,,0.0,,,,0.0,,,,,0.0,0.0,,,,0.0
O=C(CSc1nc2ncccc2[nH]1)c1ccc(F)cc1,CID665364,,,,,,0.0,,0.0,,0.0,,,,,,0.0,
COc1ccc(OC)c(C(=O)CSc2nc3ncccc3[nH]2)c1,CID665931,0.0,0.0,,0.0,0.0,0.0,,0.0,0.0,0.0,0.0,,,,,0.0,
O=C(CSc1nc2ncc(Br)cc2[nH]1)c1ccc([N+](=O)[O-])cc1,CID1424829,,,,,,,,,,,,,,,0.0,,
Cn1c(CNc2ccc(Cl)cc2)nnc1SCc1ccccc1,CID648763,0.0,0.0,0.0,0.0,0.0,0.0,,,,,,0.0,,,,,0.0
CCn1c(CNc2cccc(Cl)c2)nnc1SCc1ccccc1,CID646402,0.0,,,0.0,0.0,,,,,,,0.0,,,,,
CCn1c(CNc2ccc(Cl)cc2)nnc1SCc1ccc(C)cc1,CID1156406,,,,,,,,,,,,0.0,,,,,
COc1ccc(-c2nnc(SCC(=O)Nc3cc(C)on3)n2C)cc1OC,CID653927,,0.0,,,,,,,,,,,,,,0.0,
COc1ccc(-c2nnc(SCC(=O)Nc3cc(C)on3)n2N)cc1OC,CID2078706,,,,0.0,0.0,,,,,0.0,0.0,0.0,0.0,,,0.0,
COc1cccc(-c2nnc(SCC(=O)Nc3cc(C)on3)n2C)c1,CID2530569,,,,,,,,,,,0.0,,,,,,
CS(=O)(=O)N(CC(=O)N1CCC(C(N)=O)CC1)C1CCCCC1,CID652038,,,,,,,,,0.0,,0.0,,,,,0.0,
CC1CCN(C(=O)CN(C2CCCCC2)S(C)(=O)=O)CC1,CID954161,,,,0.0,,,0.0,0.0,0.0,,,0.0,,,,,
CS(=O)(=O)N(CC(=O)N1CCCCC1)C1CCCCC1,CID647681,,,,,,,0.0,0.0,,,,,,0.0,,,0.0
O=C(CCN1C(=O)COc2ccccc21)NCCN1CCN(c2cccc(Cl)c2)CC1,CID3241393,0.0,,,,,,,,,,,,,,,,
O=C(CCN1C(=O)COc2ccccc21)NCCN1CCN(c2ccccc2F)CC1,CID3243234,,,,,,,,0.0,,,,,,,,,
COc1ccc(N2CCN(CCNC(=O)CCN3C(=O)COc4ccccc43)CC2)cc1,CID3237740,,,0.0,,,,,,,,,,,,,,0.0
Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)NCc1cccnc1,CID1264335,,,,,,,,,,,,,,,0.0,,
O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)NCc1cccnc1,CID1005937,,,,,,,,,0.0,,,,,,,,
O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl)NCc1cccnc1,CID1093379,0.0,0.0,0.0,,0.0,,,,0.0,,,0.0,0.0,,0.0,,0.0
Cc1sc2nc(C(C)C)nc(SCC(=O)NCc3ccco3)c2c1C,CID655563,0.0,,0.0,,0.0,,,,0.0,0.0,0.0,,0.0,,,,
Cc1nc(SCC(=O)N(C)Cc2ccco2)c2c(C)c(C)sc2n1,CID2539175,0.0,0.0,,,0.0,,,,,0.0,0.0,,0.0,0.0,,,
Cc1nc(SCC(=O)NCc2ccco2)c2c(C)c(C)sc2n1,CID963163,0.0,,,,0.0,,,,0.0,0.0,0.0,0.0,,0.0,0.0,,
COc1ccc(-n2c(Cn3c(=O)sc4ccccc43)nnc2SCC(=O)N2CCOCC2)cc1,CID5308331,,,0.0,0.0,,,,,,,,,,,,,
O=C(CSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccccc1)N1CCOCC1,CID3240703,,0.0,0.0,0.0,,,,,,,,,,,,0.0,
Cc1ccccc1-n1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)N1CCOCC1,CID5307684,0.0,,,,,,,,,,,,,,,0.0,
COc1ccc(S(=O)(=O)Cc2ccc(C(=O)NC3CCCC3)o2)cc1,CID5308334,,,,,,,,0.0,,,,,,,0.0,,
O=C(NC1CCCC1)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1,CID5308831,0.0,,,,,,,,,,,,,,,0.0,0.0
O=C(NC1CCCC1)c1ccc(CS(=O)(=O)c2cccc(C(F)(F)F)c2)o1,CID3243555,,,,,0.0,,0.0,0.0,,,,,,0.0,,,0.0
COc1ccc(-n2c(=O)cc(N3CCCCCC3)[nH]c2=O)cc1,CID3235791,0.0,,,,,,0.0,,,,,,,,,,
Cc1ccc(-n2c(=O)cc(N3CCCCCC3)[nH]c2=O)cc1,CID5310505,,,0.0,,,,,,,,,,,,,,
Cc1ccccc1-n1c(=O)cc(N2CCCCCC2)[nH]c1=O,CID4624729,0.0,,,,,,,,,,,,,,0.0,,
COc1ccc(Cn2nnnc2C(c2cc3ccc(OC)cc3[nH]c2=O)N2CCCCCC2)cc1,CID645819,,,,,,,0.0,,,0.0,,0.0,,,,0.0,
COc1ccc2cc(C(c3nnnn3Cc3ccccc3)N3CCCCCC3)c(=O)[nH]c2c1,CID647557,,,,,,,,,,0.0,,0.0,,,,,0.0
COc1cc2cc(C(c3nnnn3Cc3ccc(F)cc3)N3CCCCCC3)c(=O)[nH]c2cc1OC,CID652834,,,0.0,,,,0.0,,,0.0,0.0,0.0,,,,,
O=C(/C=C/c1c(Cl)cccc1Cl)N1CCN(c2ncccn2)CC1,CID1002524,,,,,,,,,,,,0.0,,,,,
CC(C)(C)c1ccc(/C=C/C(=O)N2CCN(c3ncccn3)CC2)cc1,CID1293118,,,,,,,,,,,,,,,0.0,,
O=C(/C=C/c1ccccc1Cl)N1CCN(c2ncccn2)CC1,CID898084,,,,,,,,,,,,,,0.0,0.0,,
COC(=O)C1C(=O)C2=C(CC1C)NC(C)=C(C(=O)OCc1ccc(OC)cc1)C2c1ccc(C)o1,CID2954533,,,,,,,,,,,0.0,0.0,,,,,
CC1=C(C(=O)OCc2ccccc2)C(c2ccco2)C2=C(CC(C)(C)CC2=O)N1,CID2882151,,,,0.0,,,,0.0,0.0,0.0,0.0,,,,,,
CC1=C(C(=O)OCc2ccccc2)C(c2ccc(C)o2)C2=C(CCCC2=O)N1,CID2872524,,,,,,,,0.0,0.0,0.0,,,,,,,
COc1ccccc1NC(=O)CN1C(=O)C2(OCCCO2)c2ccccc21,CID3237347,,,,,,,,0.0,,,,,,,,,
COc1cccc(NC(=O)CN2C(=O)C3(OCCCO3)c3ccccc32)c1,CID3240284,,,0.0,,,0.0,,0.0,,,,,,,,,
COc1ccc(OC)c(NC(=O)CN2C(=O)C3(OCCCO3)c3ccccc32)c1,CID3238575,,,0.0,0.0,,,,,,,,,,,,,
O=C(c1ccco1)N1CCN(C(c2ccc(Cl)cc2)c2nnnn2Cc2ccccc2)CC1,CID3209704,,,,,,,,,,,0.0,,,,,,
COc1cccc(C(c2nnnn2Cc2ccccc2)N2CCN(C(=O)c3ccco3)CC2)c1OC,CID656018,,,,,,,,,,0.0,,,,,,,
COc1ccc(C(c2nnnn2Cc2ccccc2)N2CCN(C(=O)c3ccco3)CC2)cc1,CID655673,,,,,,,,,,,,,,,0.0,,
COc1cc(OC)cc(-c2cc3nc(C)c(CCC(=O)NC(C)CCc4ccco4)c(C)n3n2)c1,CID3242276,,,0.0,,0.0,,,,,,,,,,,,
Cc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)NC(C)CCc1ccco1,CID5307926,,,,,,,,,,,,0.0,0.0,,,0.0,
COc1ccc(-c2cc3nc(C)c(CCC(=O)NC(C)CCc4ccco4)c(C)n3n2)c(OC)c1,CID9550346,,,,,,0.0,,,,,,,,,,,
O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCN(c2ccccc2)CC1,CID3237306,0.0,,,,,,0.0,,0.0,,0.0,,0.0,,0.0,,
O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCN(c2ccc(F)cc2)CC1,CID3236590,0.0,,,0.0,,0.0,,,,0.0,,,,,,,
COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc4c(c3)OCO4)on2)CC1,CID3235894,0.0,,,0.0,,,,,0.0,,,,0.0,,,,
O=C(Nc1ccccc1Br)C(=O)N1CCCC1,CID2294517,,,,,,,,,,,,,,,0.0,,
Cc1ccc(NC(=O)C(=O)N2CCCC2)cc1Cl,CID1828117,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccc(NC(=O)C(=O)N2CCCC2)cc1,CID2296160,,,,,,,,,,0.0,,,,,,,
O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)c1ccccn1,CID779818,,,,,,,,,,,,,,,0.0,,
O=C(c1ccccc1)N(Cc1ccccc1)c1ccccn1,CID743276,0.0,,,,,0.0,0.0,,,,,,,,,,
COC(=O)c1cc(C(=O)N(Cc2ccccc2)c2ccccn2)cc([N+](=O)[O-])c1,CID1202371,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(=S)N2CCC(C(N)=O)CC2)cc1Br,CID2451949,,,,,,,,,,,,,,0.0,,,
CN(C)c1ccc(C(=S)N2CCCCC2)cc1,CID691988,,,,,,,,,,,,,,,0.0,,
CC1CCN(C(=S)c2ccc([N+](=O)[O-])cc2)CC1,CID970437,,,,,,,,,,,,,,,0.0,,
Cc1nn(C(=O)c2ccco2)c(C)c1Sc1ccccc1,CID703426,,,,,,0.0,,,,,,,,0.0,,,
Cc1nn(C(=O)c2ccco2)c(C)c1Sc1ccc([N+](=O)[O-])cc1,CID703442,,,,,,,,,,,,,,0.0,,,
Cc1nn(C(=O)c2ccco2)c(C)c1Sc1ccc(Cl)cc1,CID746389,,,,,,,,,,,,,,0.0,0.0,,
CCCCCCc1nc2ccccc2c(=O)n1NC(=O)c1c(O)n(CC(C)C)c2c(c1=O)CCCC2,CID1934861,,,,,,0.0,,,,,,,,,,,
CCCCc1nc2ccccc2c(=O)n1NC(=O)c1c(O)n(CC(C)C)c2c(c1=O)CCCC2,CID660456,,,,,,0.0,,0.0,,,,,,,,,0.0
Cc1nc2ccccc2c(=O)n1NC(=O)c1c(O)n(CC(C)C)c2c(c1=O)CCCC2,CID660673,,,,,,,,0.0,,,,,0.0,,,,0.0
COc1ccc(-c2noc(CN(C(=O)c3c(-c4ccccc4Cl)noc3C)C(C)C)n2)cc1,CID1259392,,,0.0,,,,,,,0.0,,,,0.0,,,
Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1nc(-c2ccccc2)no1,CID1259131,0.0,,,,0.0,,0.0,,,,,,,,,,
Cc1cccc(-c2noc(CN(C(=O)c3c(-c4ccccc4Cl)noc3C)C(C)C)n2)c1,CID5308737,0.0,,,,,,,,,,,,,,,,
Nc1nc(-c2ccccc2)nn1C(=O)Cc1ccccc1,CID969682,,0.0,,,,,0.0,,,,0.0,0.0,,,,0.0,0.0
COc1ccc(-c2nc(N)n(C(=O)Cc3ccccc3)n2)cc1,CID753277,,,,,,,,,,,,0.0,,,,,
Cc1ccc(-c2nc(N)n(C(=O)Cc3ccccc3)n2)cc1,CID974955,0.0,0.0,,,,,,,,,0.0,0.0,0.0,,,0.0,
Clc1ccc(Sc2oc(/C=N/n3cnnc3)cc2Br)cc1,CID1285094,,,,,,,,,0.0,,0.0,,,,,0.0,0.0
Cc1ccc(Sc2oc(/C=N/n3cnnc3)cc2Br)cc1,CID1281902,,,,,,,,,0.0,,0.0,,,,,,0.0
Clc1ccc(Sc2ccc(/C=N/n3cnnc3)o2)cc1,CID875251,,,,,,,,,,,0.0,,,,0.0,,
CCCC(=O)N1c2ccccc2C(N(C(C)=O)c2ccccc2)CC1C,CID658601,,,,,,,,0.0,,,,,,,,,
CCC(=O)N1c2ccccc2C(N(C(C)=O)c2ccccc2)CC1C,CID658600,,,,,,,,,,0.0,,,0.0,,,,0.0
CCC1Nc2ccc(C)cc2C(Nc2ccc(C)cc2)C1C,CID2878481,,,,,,0.0,,,,,,,,,,,
O=C(O)CCCn1cc(NC(=O)COc2cc(F)ccc2[N+](=O)[O-])cn1,CID1510419,,,,,,,,,,,,,,,0.0,,
CCOC(=O)Cn1nc(C)c(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1C,CID1506995,,,,,,,,,,,,,,,0.0,,
Cc1cc(OCC(=O)Nc2cnn(CCCC(=O)O)c2)ccc1[N+](=O)[O-],CID1507060,,,,,,,,,,,,,,,0.0,,
COc1ccc2[nH]cc(C3N4CC5(C)CN3CC(C)(C4)C5=O)c2c1,CID650307,,,,,0.0,,,,,,,,,,,,
Cc1c(C2N3CC4(C)CN2CC(C)(C3)C4=O)c2ccccc2n1C,CID667052,,,,,0.0,,0.0,0.0,,0.0,0.0,,,,,,
CCn1cc(C2N3CC4(C)CN2CC(C)(C3)C4=O)c2ccccc21,CID826444,,0.0,,0.0,0.0,,,,,0.0,,,,,,,
Cn1nnnc1SCC(=O)N1CCN(c2cccc(Cl)c2)CC1,CID1094261,,0.0,0.0,,,,,,,,0.0,,,,,,0.0
Cn1nnnc1SCC(=O)N1CCN(c2ccccc2)CC1,CID805229,,0.0,,0.0,0.0,,,,,,,,,,0.0,,
Cn1nnnc1SCC(=O)N1CCN(c2ccc(Cl)cc2)CC1,CID1095857,,,,,,,,,,,0.0,,,,,,0.0
COC(=O)c1ccccc1S(=O)(=O)N(Cc1cc2ccc(OC)cc2[nH]c1=O)CC1CCCO1,CID653653,,,,,0.0,,,,,0.0,,,0.0,,,,0.0
COc1ccc(S(=O)(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)CC2CCCO2)cc1,CID3186028,,,,,,,,,,0.0,0.0,,,,,,
COc1ccc2cc(CN(CC3CCCO3)S(=O)(=O)c3ccccc3Cl)c(=O)[nH]c2c1,CID3184102,,,,,,,,,0.0,,,,,,,,
Cc1cc(NC(=O)c2cccc(F)c2)ncc1NC(=O)c1ccco1,CID649319,,,,,,0.0,,0.0,,,,0.0,,,,,
Cc1cc(NC(=O)c2ccccc2)ncc1NC(=O)c1ccco1,CID645254,,0.0,,,,,,,,,0.0,0.0,,,,,
COc1cccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cn2)c1,CID1449293,,,,,,,,,0.0,,,,,,,,
O=C(NC1CCCC1)C1CCCN1C(=O)Nc1ccccc1Cl,CID649314,0.0,0.0,,0.0,,,0.0,,,,,,0.0,,,,0.0
O=C(NC1CCCC1)C1CCCN1C(=O)Nc1ccccc1,CID655301,0.0,0.0,0.0,0.0,,,,0.0,,,,0.0,,,,,
O=C(NC1CCCC1)C1CCCN1C(=O)Nc1ccc(Cl)cc1,CID652919,0.0,0.0,,0.0,,,,,,,,0.0,0.0,,,0.0,0.0
O=c1c2cnn(-c3ccccc3)c2ncn1Cc1ccccn1,CID3239866,,,0.0,,,,0.0,,0.0,0.0,,0.0,,,,,
Cc1ccc(-n2ncc3c(=O)n(Cc4ccccn4)cnc32)cc1C,CID653837,,,0.0,,,,,0.0,,,,0.0,,,0.0,,
O=c1c2cnn(-c3ccc(F)cc3)c2ncn1Cc1ccccn1,CID645801,,,,,,,0.0,,,,,0.0,,,,,
CCOC(=O)c1cnc2ccc(C)cc2c1Sc1ccccc1,CID1479947,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1cnc2ccc(C)cc2c1Sc1ccc(F)cc1,CID1479948,,,,,,0.0,,,,,,,,,0.0,,
CCOC(=O)c1cnc2ccc(C)cc2c1Sc1ccccc1C(=O)OC,CID1479949,,,,,,0.0,,,,,,,,,,,
N#[N+]/C=C(\[O-])CC(c1ccccc1)N1C(=O)c2ccccc2C1=O,CID5389070,,,0.0,,,,,,,,,,0.0,,,,
Nc1cc(CN2C(=O)c3ccccc3C2=O)cc(Cl)c1O,CID1518779,,,,0.0,,,,,,,,,,,,,0.0
O=C(O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O,CID748193,,,,,,,,,,,,,,,0.0,,
CCN(CC)c1ccc(CNC23CN4CN(CN(C4)C2)C3)cc1,CID881442,,0.0,,,,,,,,,,,,,,,
CCOc1ccc(CNC23CN4CN(CN(C4)C2)C3)cc1,CID651266,,,0.0,0.0,,,,0.0,,,,,0.0,,,,
CN(C)c1ccc(CNC23CN4CN(CN(C4)C2)C3)cc1,CID846922,,,0.0,0.0,,,,,0.0,,,,,,,,
Cc1nc2ccc(NC(=O)c3cccc(S(=O)(=O)N4CC(C)OC(C)C4)c3)cc2s1,CID4836050,,,,,,0.0,,,,,,,,,,,
Cc1nc2ccc(NC(=O)c3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)cc2s1,CID2085173,,,,,,,,,,,0.0,,,0.0,,,
Cc1nc2ccc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3C)cc2s1,CID2566409,,,,,,0.0,,,,,0.0,,,,,,
CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1,CID1085670,,,,,,0.0,,0.0,,,0.0,,,,,0.0,
COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1Br,CID1305753,0.0,,,,,,0.0,,0.0,,0.0,,,,,,0.0
COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1,CID654829,,,,,,,,0.0,,0.0,,,,,,0.0,
COc1ccc2oc3ccc(OC)cc3c(=O)c2c1,CID2831136,,,,,,0.0,,,,,,,,0.0,,,
Nc1ccc2oc3ccc(N)cc3c(=O)c2c1,CID2770072,,,,,,,,,,,,0.0,,,,,
COc1cccc2c(=O)c3ccccc3oc12,CID300241,,,,,,,,,,,,,,,0.0,,
CCOC(=O)C1=NN(c2cccc(C)c2)C2(S1)SC(C(C)=O)=C(C)N2c1ccccc1,CID4218279,,,,,,0.0,,,,,,0.0,,,,,
COC(=O)C1=NN(c2ccc(C)cc2)C2(S1)SC(C(C)=O)=C(C)N2c1ccccc1,CID2956245,,,,,,,,,,,0.0,,,,,,
COC(=O)C1=NN(c2ccccc2)C2(S1)SC(C(C)=O)=C(C)N2c1ccccc1,CID3316814,,,,,,0.0,,,,,,,,,,,
CC(C)(C)c1[nH]n(-c2ccccc2)c2nc(=O)c(CNCc3ccc4c(c3)OCO4)cc1-2,CID1449937,,,,,,0.0,,,0.0,0.0,,,,0.0,,,
Cc1[nH]n(-c2ccccc2)c2nc(=O)c(CNCc3ccc4c(c3)OCO4)cc1-2,CID654793,0.0,,,,,,,,0.0,,,,,,,0.0,
Cc1[nH]n(-c2ccc(Cl)cc2)c2nc(=O)c(CNCc3ccc4c(c3)OCO4)cc1-2,CID653967,0.0,,,,0.0,,,,,,,,0.0,,,0.0,0.0
COC(=O)Cn1ncn2cccc2c1=O,CID3243261,,,0.0,,,,,,0.0,,,,,,0.0,,
CCN(CC)CCCNC(=O)Cn1ncn2cccc2c1=O,CID9550722,,,,,,,,,,,0.0,,,,,,
O=c1[nH]ncn2cccc12,CID3240920,,,,0.0,,,,,,,,,,,,,
Cc1nnc(NC(=O)CSc2nnc(Cc3cccn3C)n2C)s1,CID2150626,,0.0,,,0.0,,,,,,,,,,,,
CCc1nnc(NC(=O)CSc2nnc(Cc3cccn3C)n2C)s1,CID2150627,,0.0,,0.0,0.0,,,,,,,0.0,,,,,
CCc1nnc(NC(=O)CSc2nnc(Cc3cccn3C)n2CCOC)s1,CID2150680,,0.0,,,0.0,,,,,,0.0,,,,,,0.0
CCOC(=O)N1CCN(C(=O)CSCC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)CC1,CID3239019,,,0.0,,0.0,,,,,,,,,,,,
CCOC(=O)N1CCN(C(=O)CSCC(=O)Nc2nc(-c3ccccc3)cs2)CC1,CID3242340,,0.0,0.0,,0.0,,,,0.0,,,,,,,0.0,0.0
CCOC(=O)N1CCN(C(=O)CSCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)CC1,CID4583474,,,,,,,,,,,,,,,0.0,,
COc1ccc(N2C(=O)CCC(C(=O)N3CCCCC3)C2c2ccc(F)cc2)cc1,CID3239018,,,,0.0,,,,,,,,,,,,0.0,
COc1ccc(C2C(C(=O)N3CCCCC3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1,CID3237621,,,0.0,,,,,,,,,,,,,,
COc1ccc(N2C(=O)CCC(C(=O)N3CCCCC3)C2c2ccc(OC)c(OC)c2)cc1,CID3236294,,,,,0.0,,,,,0.0,,,,,,0.0,
COc1ccc(C2C3=C(CC(C)(C)CC3=O)N(CCN3CCOCC3)C3=C2C(=O)CC(C)(C)C3)cc1,CID3239011,,,,,,,,0.0,,,,,,,,,
CC1(C)CC(=O)C2=C(C1)N(CCN1CCOCC1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(Cl)cc1,CID3240720,,,,,,,0.0,,,,,,,,,,
Cc1ccc(C2C3=C(CC(C)(C)CC3=O)N(CCN3CCOCC3)C3=C2C(=O)CC(C)(C)C3)cc1,CID3245008,,,0.0,,,,,,,,0.0,,,,,,
CCOc1ccc(OCC)c(NC(=O)C2CCN(S(=O)(=O)c3cccc4nonc34)CC2)c1,CID3239017,,,,,0.0,,0.0,,0.0,0.0,,,0.0,,,,
CCOc1ccccc1N(C)C(=O)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1,CID3245452,,,,,,0.0,,,,,,,,,,,
COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cccc4nonc34)CC2)cc(OC)c1,CID3235626,,,,,,,0.0,,0.0,,,,,,,,
Cc1nc([N+](=O)[O-])c(C(=O)OCc2ccccc2F)n1C,CID1505972,,,,,,,,,,,,,,0.0,,,
Cc1nc([N+](=O)[O-])c(C(=O)OCc2cccc(Br)c2)n1C,CID1505209,,,,,,,,,,,,,,0.0,,,
Cc1nc([N+](=O)[O-])c(C(=O)OCc2ccccc2)n1C,CID718883,,,,,,,,,,,,,,0.0,,,
O=C(/C=C/c1ccco1)NC(=S)Nc1cccc([N+](=O)[O-])c1,CID786704,,,,,,,,,,,,,,0.0,,,
CN(C)c1ccc(NC(=S)NC(=O)/C=C/c2ccco2)cc1,CID885083,,,,,,,,,,,,,,0.0,,,
COc1ccc(NC(=S)NC(=O)/C=C/c2ccco2)cc1,CID835019,,,,,,,,,,,,,,0.0,,,
O=S(=O)(NCC(Nc1ccccc1)c1ccccc1)c1ccc(Cl)cc1,CID602841,,,,,,,,,,,,,,,0.0,,
O=C(O)c1cccc(NC(CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)c1,CID2964785,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC(CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)cc1,CID2898209,,,,,,0.0,,,,,,,,,,,
Cc1c(C(=O)N2CC(C)OC(C)C2)sc2nc(-c3ccc(F)cc3)cn12,CID3243898,0.0,0.0,,,,,,0.0,,0.0,,0.0,,,,,
Cc1c(C(=O)N2CCOCC2)sc2nc(-c3ccccc3)cn12,CID3245660,0.0,0.0,,,0.0,,,,,,,,,,,,
Cc1c(C(=O)N2CC(C)OC(C)C2)sc2nc(-c3ccccc3)cn12,CID3244991,0.0,,,,0.0,,0.0,,,,,,,,,0.0,
O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(O)(c2cccnc2)CC1,CID645330,0.0,,,,0.0,,,,,,,0.0,,,,,0.0
O=S(=O)(c1ccc(Cl)cc1)N1CCC(O)(c2cccnc2)CC1,CID1446499,,,,,,,,,,0.0,,,,,,,
COc1ccc(S(=O)(=O)N2CCC(O)(c3cccnc3)CC2)cc1OC,CID1446601,,,,,,,,,,,,,,0.0,,,
CCn1c(N2CCN(CC(=O)c3c(C)n(C)c4ccccc34)CC2)nc2c1c(=O)[nH]c(=O)n2C,CID659292,,,0.0,,,,,,,,,,0.0,,,,
CCCn1c(N2CCN(CC(=O)c3c(C)n(C)c4ccccc34)CC2)nc2c1c(=O)[nH]c(=O)n2C,CID657692,,,,,,,,,,,0.0,,,,,,
CCCn1c(N2CCN(CC(=O)c3c[nH]c4ccccc34)CC2)nc2c1c(=O)[nH]c(=O)n2C,CID658200,,,,,,,,,,0.0,,,,,,,
Cc1c(C(=O)N(C)Cc2ccccc2)oc2ccc(S(=O)(=O)N3CCCC3)cc12,CID3241037,,0.0,0.0,,0.0,,,,,0.0,,0.0,,,,,
Cc1c(C(=O)NCc2ccccc2)oc2ccc(S(=O)(=O)N3CCCC3)cc12,CID5307199,0.0,,,0.0,,0.0,,,,,,,,,,,
COc1ccccc1CNC(=O)c1oc2ccc(S(=O)(=O)N3CCCC3)cc2c1C,CID3242047,,,,,0.0,,,0.0,,0.0,0.0,,,,,,
CCC(Sc1nc2ccccc2s1)C(=O)Nc1nnc(C)s1,CID2891326,,,,,0.0,,,,,,,,0.0,,,,
CC(C)c1nnc(NC(=O)CSc2nc3ccccc3s2)s1,CID655769,,,,,0.0,,,,,0.0,,,,,,,
CCc1nnc(NC(=O)CSc2nc3ccccc3s2)s1,CID798478,,,,,0.0,,,,0.0,,,,,,,,
CCOC(=O)c1c(NC(=O)CSc2nnc(-c3ccco3)o2)sc(C(C)=O)c1C,CID2162494,,,,,0.0,,,,,,,,0.0,,,,
CCOC(=O)c1c(NC(=O)CSc2nnc(-c3ccco3)o2)sc(C)c1C,CID2209110,,,,,,,,,,,0.0,,,,,,
CCOC(=O)c1sc(NC(=O)CSc2nnc(-c3ccco3)o2)c(C(=O)OCC)c1C,CID1796286,,,,,0.0,,,,,,,,,,,,
O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc2ccccc12,CID878148,,,,,,0.0,,,,,,,,,,,
CCOc1cc(/C=N/NC(N)=O)cc(Br)c1OCC(=O)Nc1cccc2ccccc12,CID1007845,,,,,,,,,,,,0.0,,,,,
CC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cccc3ccccc23)cc1,CID1314065,,,,,,,,,,0.0,,,,,,,
N#Cc1cc(-c2ccccc2)oc1NC(=O)c1ccccc1,CID730897,,,,,,,,,,,,,,0.0,,,
Cc1cccc(C(=O)Nc2oc(-c3ccccc3)cc2C#N)c1,CID3710774,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C(=O)Nc2oc(-c3ccccc3)cc2C#N)cc1,CID1477449,,,,,,,,,0.0,,0.0,0.0,,,,,
CCNC(=O)CN1C(=O)NC(CCc2ccccc2)C1=O,CID9552026,,,,,,0.0,,,,,,,,,,,
COc1ccc(CCC2(C)NC(=O)NC2=O)cc1,CID2999262,0.0,,,0.0,,,0.0,0.0,,0.0,,,,,,,
CCOC(=O)CCCNC(=O)CN1C(=O)NC(CCc2ccccc2)C1=O,CID2998737,,,0.0,,,,,,,,,,0.0,,,,0.0
Cc1nc(CSc2nnc3scc(-c4ccc(Cl)cc4)n23)cs1,CID2938698,,,,,0.0,,,,0.0,,,,,,,,
Cc1ccc(-c2csc3nnc(SCc4csc(C)n4)n23)cc1,CID1179308,,,,0.0,0.0,,,,0.0,,,0.0,,,,,
Cc1nc(CSc2nnc3scc(-c4ccccc4)n23)cs1,CID3245231,,,,,0.0,,0.0,,,,,,,,,,
CCOC(=O)C(C)Sc1nc(-c2ccco2)cc(C(F)(F)F)c1C#N,CID647959,,,,,0.0,,,,,,,,,,,,0.0
Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCCC#N)n2)o1,CID2216841,,,,,0.0,,,,,,,,,,,,
CCSc1nc(-c2ccco2)ccc1C#N,CID666148,,0.0,0.0,0.0,,,0.0,,,0.0,,,0.0,,0.0,,0.0
O=C(NCc1ccccn1)c1cc(-c2ccccc2)on1,CID973877,0.0,,,,,,,0.0,,,0.0,0.0,,,,,
Cc1ccc(-c2cc(C(=O)NCc3ccccn3)no2)cc1,CID2231481,,,,,,,,,,,0.0,,,,,,
O=C(NCc1ccccn1)c1cc(-c2ccccc2Cl)on1,CID1093875,,,,,,,,,,0.0,,,,,0.0,,
Cc1ccc(N2C(=O)c3n[nH]c(C)c3C2c2ccccn2)cc1,CID662284,,,0.0,0.0,,0.0,0.0,,,,,0.0,,,,,
Cc1[nH]nc2c1C(c1ccccn1)N(c1ccc(Br)cc1)C2=O,CID662792,0.0,,,,,,,,,,0.0,,,,,0.0,
CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(C)c3C2c2ccccn2)cc1,CID3740589,,,,,,0.0,,,,,,,,,,,
COc1ccc(CCNC(=O)c2ccc(N3CCCC3=O)cc2)cc1OC,CID3236773,,,0.0,,,,0.0,,0.0,0.0,,,0.0,,,,
COc1ccc(C(CNC(=O)c2ccc(N3CCCC3=O)cc2)N(C)C)cc1,CID4882259,,,,,,,,,,,0.0,,,,,,
COc1ccc(CCNC(=O)c2ccc(N3CCCC3=O)cc2)cc1,CID2568382,,,,,,,,,,,,0.0,,,,,
COC(=O)C1=C(Cn2cnc3ccccc32)NC(=O)NC1c1cc(C)ccc1C,CID2983279,,0.0,0.0,,,,0.0,,,,0.0,,,,0.0,,0.0
CCOC(=O)C1=C(Cn2cnc3ccccc32)NC(=O)NC1c1cc(C)ccc1C,CID2973686,0.0,0.0,,,,,0.0,,,,,,,,,,0.0
CCOC(=O)C1=C(Cn2cnc3ccccc32)NC(=O)NC1c1ccc(OC)cc1,CID2978809,,,,,,,,,,,,0.0,,,0.0,,
Cc1oc2c(c1C(=O)Nc1cccc(C(=O)O)c1)CCCC2,CID704206,,,,,,,,,,,,,,,0.0,,
COc1ccc(NC(=O)c2c(C)oc3c2CCCC3)cc1,CID646062,,,,0.0,,0.0,0.0,,,0.0,,,,,,0.0,0.0
Cc1oc2c(c1C(=O)Nc1ccc(C(=O)O)cc1)CCCC2,CID596160,,,,,,,,,,0.0,0.0,,,,0.0,,
O=C(CN1CCN(c2ccc(F)cc2)CC1)c1ccc2c(c1)OCO2,CID3245056,,,,,,0.0,,,,,,,0.0,,,,
O=C(CN1CCN(c2ccccc2F)CC1)c1ccc2c(c1)OCO2,CID3240895,,,,,,,,,,,,,0.0,,,,
O=C(CN1CCN(c2ccc(Cl)cc2)CC1)c1ccc2c(c1)OCO2,CID3238991,,0.0,0.0,0.0,,,,,,,,,0.0,,,0.0,0.0
CCOC(=O)C1CCCN(c2cc(=O)n(Cc3ccc(F)cc3)c(=O)[nH]2)C1,CID3244981,,,,,,,,0.0,,,,,0.0,,,,
COC(=O)C1CCN(c2cc(=O)n(Cc3ccc(F)cc3)c(=O)[nH]2)CC1,CID3241357,,,0.0,,,,,,0.0,,,0.0,,,,,
CCOC(=O)C1CCN(c2cc(=O)n(Cc3ccc(F)cc3)c(=O)[nH]2)CC1,CID5310115,,,,,,,,0.0,,,,,,,,,
COc1ccc(OC)c(CCNC(=O)CS(=O)(=O)Cc2nc(-c3ccc(C)cc3)oc2C)c1,CID3244986,,,,,0.0,,,,,0.0,,,,,,0.0,0.0
COc1ccc(OC)c(CCNC(=O)CS(=O)(=O)Cc2nc(-c3ccccc3C)oc2C)c1,CID3239398,,,,,0.0,0.0,,0.0,,,0.0,,,,,0.0,0.0
COc1ccc(-c2nc(CS(=O)(=O)CC(=O)NCCc3cc(OC)ccc3OC)c(C)o2)cc1,CID3237345,,,0.0,,0.0,,,0.0,,0.0,,,,,,0.0,
COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3nnc4ccccc4n23)cc1,CID1204923,0.0,,,,,,,0.0,,,,,,,,0.0,0.0
Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3nnc4ccccc4n23)c1,CID1086995,,,,,,,,,,,,0.0,,,,,
Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3nnc4ccccc4n23)cc1,CID1086994,,,0.0,,,,,,,,,,0.0,,,,
Cc1cccc(-c2nc3ccccc3c(=O)n2NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1,CID12004797,,,,,,,,,,,,,,,0.0,,
O=C(/C=C/c1ccccc1)Nn1c(-c2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O,CID12004799,,,,,,,,,,,,,,,0.0,,
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nn1c(-c2ccccc2F)nc2ccccc2c1=O,CID12005446,,,,,,,,,,,,,,,0.0,,
CCN(CC)c1ccc(C(=O)OCc2c(C)noc2C)cc1,CID2434941,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)OCc2c(C)noc2C)cc1,CID2433828,,,,,,,,,,,,,,,0.0,,
Cc1noc(C)c1COC(=O)c1cccc(N(C)C)c1,CID2363952,,,,,,,,,,,,,,0.0,,,
CC(=O)Nc1ccc(Oc2ccc(-c3noc(C)n3)cc2)cc1,CID890855,,,,,,,,,0.0,,0.0,,,,,,
CC(=O)Oc1ccc(Oc2ccc(-c3noc(C)n3)cc2)cc1,CID889672,,,0.0,,,,0.0,,0.0,,0.0,,0.0,0.0,,,
CC(=O)Nc1cccc(Oc2ccc(-c3noc(C)n3)cc2)c1,CID655521,,,0.0,,,,0.0,0.0,0.0,,,,,,,,
CCCCn1cc(C(=O)c2cc(Br)ccc2O)cc(C#N)c1=O,CID2368269,,,,,,,,,0.0,,,0.0,,,,,
CC(C)CCNC(=O)c1cc(C(=O)c2cc(Br)ccc2O)cn(CCC(C)C)c1=O,CID3519418,,,,,,,,,,,,,,,0.0,,
CC(C)n1cc(C(=O)c2cc(Br)ccc2O)cc(C#N)c1=O,CID2467573,,,,,,,,,0.0,,,,,0.0,,,
Cc1c2cnn(CC(=O)N3CCC4(CC3)OCCO4)c(=O)c2c(C)n1Cc1ccccc1,CID3236173,0.0,,0.0,,,,0.0,,,,,,,,,,
Cc1ccc(Cn2c(C)c3cnn(CC(=O)N4CCC5(CC4)OCCO5)c(=O)c3c2C)cc1,CID3239012,0.0,,,,,,,,,,,,,,,,
Cc1c2cnn(CC(=O)N3CCC4(CC3)OCCO4)c(=O)c2c(C)n1Cc1ccccc1F,CID3236079,,,,,,,,,,,,,,,,0.0,
CC(=O)N(Cc1ccco1)C1(C(=O)NC2CCCCC2)CCCCC1,CID3237228,,0.0,0.0,,,,,,0.0,,,0.0,0.0,,,,
CC(=O)NCC(=O)N(Cc1ccco1)C1(C(=O)NC2CCCCC2)CCCCC1,CID3240475,,,,,,,0.0,0.0,0.0,,0.0,,,,,,0.0
O=CN(Cc1ccco1)C1(C(=O)NC2CCCCC2)CCCCC1,CID654575,0.0,,,0.0,,,,,0.0,,,0.0,0.0,,,,0.0
COc1ccc2c(C)cc(SCC(=O)c3ccc4c(c3)OCO4)nc2c1,CID1190196,,,,,,0.0,,,,0.0,,,,0.0,,,
O=C(CSc1ccc2ccccc2n1)c1ccc2c(c1)OCO2,CID976767,,,,,,,,,0.0,0.0,,,,,,,
Cc1cc(SCC(=O)c2ccc3c(c2)OCO3)nc2ccccc12,CID1228660,,,,,,0.0,,,,0.0,,,,,,,
O=C(NC1CCCCC1)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1,CID647040,0.0,,,,0.0,,,,,,,,,,,,0.0
O=C(NC1CCCCC1)c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1Br,CID1036749,0.0,,,,,,,,,,,0.0,,,,,
CN(C(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1)C1CCCCC1,CID1102029,0.0,,,,0.0,,0.0,,,,,,,,,,0.0
COCCn1c(COc2cccc(OC)c2)nnc1SCC(=O)N1CCOCC1,CID647042,0.0,,,,,,,0.0,,,,,,,,,0.0
CCn1c(COc2cccc(OC)c2)nnc1SCC(=O)N1CCOCC1,CID651093,,,,,,,,,0.0,,,,,,,,0.0
Cc1ccc(OCc2nnc(SCC(=O)N3CCOCC3)n2C)cc1,CID651637,,,,,,,0.0,,,,,,,,,,0.0
O=C(CSc1nccn1-c1ccc(F)cc1)Nc1ccc2c(c1)OCO2,CID3240570,0.0,,0.0,,0.0,,,0.0,,,,,,,,0.0,0.0
O=C(CSc1nccn1-c1ccccc1)Nc1ccc2c(c1)OCO2,CID3245558,0.0,0.0,,,0.0,,,,,,,0.0,,,,,
O=C(CSc1nccn1-c1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2,CID3241047,,,,0.0,0.0,0.0,,,,,,,,,,,0.0
Nc1c(S(=O)(=O)c2cccc(Cl)c2)c2nc3ccccc3nc2n1CCN1CCOCC1,CID666843,,,,,0.0,,0.0,,0.0,,0.0,,,,,0.0,0.0
Cc1ccc(S(=O)(=O)c2c(N)n(CCN3CCOCC3)c3nc4ccccc4nc23)cc1C,CID2997549,,,0.0,,0.0,,0.0,0.0,,,,,,,,,
CC(=O)Nc1ccc(S(=O)(=O)c2c(N)n(CCN3CCOCC3)c3nc4ccccc4nc23)cc1,CID2116892,,,,,0.0,,,,,,,,,,,,
CCCC(=O)Nc1nc2ccc3nc(C)sc3c2s1,CID2414862,0.0,,,,0.0,,0.0,,,,,,0.0,,,,
CCC(=O)Nc1nc2ccc3nc(C)sc3c2s1,CID4564556,0.0,,,,,,,,,,,,0.0,0.0,,,
CCCCC(=O)Nc1nc2ccc3nc(C)sc3c2s1,CID3573843,0.0,,,,0.0,,0.0,,0.0,,,,,,,,
CCOC(=O)C1(C)/C(=N/Nc2cccc(Cl)c2)C(=O)C(=O)N1c1ccccc1,CID6323709,,,,,,0.0,,,,,,,,,,,
CCOC(=O)C1(C)/C(=N/Nc2ccccc2Cl)C(=O)C(=O)N1c1ccccc1,CID6323681,,,,,,,,,0.0,,,,,,,,
CCOC(=O)C1(C)/C(=N/Nc2ccccc2)C(=O)C(=O)N1c1ccccc1,CID5378380,,,,,,,,,,,,,,,0.0,,
COc1ccc(CCC(=O)Nc2nc3ccccc3[nH]2)cc1OC,CID2081097,,,,,,0.0,,,0.0,,,,,,,,
COc1ccccc1CCC(=O)Nc1nc2ccccc2[nH]1,CID2121895,,0.0,,,,,,0.0,,,,,,,,,
CC(CC(=O)Nc1nc2ccccc2[nH]1)c1ccccc1,CID4563723,,,,,,,,,,,,,,0.0,,,
COc1ccccc1N1CCN(C(=O)CSc2ncccc2-c2nc3ccccc3[nH]2)CC1,CID649680,,,,,,,0.0,,,,,,,,,0.0,
COc1ccc(N2CCN(C(=O)CSc3ncccc3-c3nc4ccccc4[nH]3)CC2)cc1,CID646391,0.0,,0.0,0.0,,,,0.0,,,,,,,,,0.0
O=C(CSc1ncccc1-c1nc2ccccc2[nH]1)N1CCN(c2ccccc2F)CC1,CID646144,0.0,,0.0,,0.0,,,,,,,,,,,,
N#CC1=C2SCC(O)(c3ccccc3)N2C(=O)CC1c1ccccc1F,CID9551247,,,,,,,,,,0.0,,,,,,,
N#CC1=C2SCC(O)(c3ccccc3)N2C(=O)CC1c1ccccc1,CID661140,,0.0,0.0,,,,,0.0,,,,,,,,,0.0
COc1ccc(C2CC(=O)N3C(=C2C#N)SCC3(O)c2ccccc2)cc1,CID3237339,0.0,,,,,0.0,,,,,,,,,,,
Cc1ccc2nc3c(cc(C(=O)NCC4CCCO4)n3C)c(=O)n2c1,CID666261,,,0.0,0.0,,,,,,,,,,,,,0.0
Cc1cccn2c(=O)c3cc(C(=O)NCC4CCCO4)n(C)c3nc12,CID3241349,,,,,,,,,,,,,,,,,0.0
Cn1c(C(=O)NCC2CCCO2)cc2c(=O)n3ccccc3nc21,CID3241814,,0.0,,,,,,,,,,,,,,,
CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCCN3CCCCC3C)c21,CID3239789,,,,,,,,,0.0,,,,,,,0.0,
CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCCN3CCCCC3C)c21,CID3240048,0.0,,,,,,,,,,,,,,,0.0,0.0
CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCCN3CCCCC3CC)c21,CID3242893,,,,,,,,,0.0,,0.0,,,0.0,,0.0,0.0
CCOC(=O)c1sc(NC(=O)CSc2nnc3c4ccccc4n(C(C)C)c3n2)nc1C,CID3239788,,0.0,,0.0,,,,,,,,,,,,0.0,0.0
C=CCn1c2ccccc2c2nnc(SC(CC)C(=O)Nc3nc(C)c(C(=O)OCC)s3)nc21,CID3240654,,,,0.0,,,,,,,,0.0,,,,0.0,0.0
CCOC(=O)c1sc(NC(=O)C(CC)Sc2nnc3c4ccccc4n(CC)c3n2)nc1C,CID3238672,,,0.0,,,,,,,,,,,,,,
Cc1ccc(C(=O)N/C(=C/c2ccco2)C(=O)Nc2cccc(C)c2)cc1,CID5440377,,,,,,,,,,,0.0,,,,,,
COc1cccc(NC(=O)/C(=C/c2ccc(C)o2)NC(=O)c2ccccc2)c1,CID2184107,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(NC(=O)/C(=C\c2ccco2)NC(=O)c2ccc(C)cc2)cc1,CID5341585,,,,,,0.0,,,,,,,,,,,
CC1CN(c2nc(-c3ccccc3)nc3ccccc23)CC(C)O1,CID3862172,,0.0,,,,,,,,,,,,,,,
CCOc1cc2nc(-c3ccc(OC)c(OC)c3)nc(N3CCOCC3)c2cc1OC,CID661523,,,,,0.0,,,,,0.0,,,,,,,
Clc1ccc(-c2nc(N3CCOCC3)c3ccccc3n2)cc1Cl,CID1360726,,,,,,0.0,,,,,,,,,,,
CCn1c(CC(=O)Nc2ccc(C)c(Cl)c2)nnc1SCC(=O)Nc1nc(C)cs1,CID2227671,,,,,,,,,,,,0.0,,,,,
CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1SCC(=O)Nc1nc(C)cs1,CID3157656,,,,,,0.0,,,0.0,,,0.0,,,,,
CCn1c(CC(=O)Nc2cccc(OC)c2)nnc1SCC(=O)Nc1nccs1,CID2958637,,,,0.0,,,,,0.0,0.0,,,,,,0.0,
Cc1c(NC(=O)COC(=O)Cc2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C,CID2428713,0.0,,,,,0.0,0.0,,,,,,,,,0.0,0.0
CCC(C(=O)OCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)c1ccccc1,CID2999690,,,,,0.0,,,,,0.0,,0.0,0.0,,0.0,,
COc1ccc(CC(=O)OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1,CID2391814,,,,,0.0,,,,,,,,,,,,
Cc1cccc(-c2nc(CS(=O)CC(=O)N3CCc4ccccc4C3)c(C)o2)c1,CID5309211,,,0.0,0.0,,,,0.0,,,,,,,,0.0,
Cc1oc(-c2ccccc2)nc1CS(=O)CC(=O)N1CCc2ccccc2C1,CID5309235,,,0.0,,,,,,,,,,,,,,
COc1ccc(-c2nc(CS(=O)CC(=O)N3CCc4ccccc4C3)c(C)o2)cc1,CID5308558,,0.0,0.0,,,,,,,,,,,,,0.0,
Cc1nn(-c2nc(=O)c(C)n[nH]2)c(C)c1SCC(=O)Nc1ccc(F)cc1,CID1244384,0.0,0.0,0.0,0.0,0.0,,,,,,0.0,,,,,,
COc1ccc(NC(=O)CSc2c(C)nn(-c3nc(=O)c(C)n[nH]3)c2C)cc1,CID1244388,,,0.0,0.0,0.0,,,,,,,,0.0,,0.0,0.0,
Cc1nn(-c2nc(=O)c(C)n[nH]2)c(C)c1SCC(=O)Nc1ccc(C(C)C)cc1,CID1244386,0.0,0.0,,,0.0,,,,,,,,,,0.0,0.0,
CC(OC(=O)c1nsc(Cl)c1Cl)C(=O)NCc1cccs1,CID647824,,,,,,,,,,0.0,,,,,,,
CCC(OC(=O)c1nsc(Cl)c1Cl)C(=O)NCc1cccs1,CID3220393,,,,,,,,,,0.0,,,,,,,
CC(C)CC(OC(=O)c1nsc(Cl)c1Cl)C(=O)NCc1cccs1,CID3220381,,,,,,,,,,0.0,,,,,,,
Cc1ccc2c(c1)N(CC(=O)OC(CC(C)C)C(=O)NC1CCCC1)C(=O)CO2,CID651722,,,,,,,0.0,0.0,,0.0,,,,,,,
CC(C)C(OC(=O)CN1C(=O)COc2ccccc21)C(=O)NC1CCCC1,CID648822,,0.0,0.0,,,,0.0,,,,,0.0,,,,,
CCCC(OC(=O)CN1C(=O)COc2ccccc21)C(=O)NC1CCCC1,CID652856,,0.0,,,,,,,0.0,0.0,0.0,,,,,,0.0
CCN(CC)S(=O)(=O)c1cc(NC(=O)COC(=O)CCc2nc3ccccc3s2)ccc1C,CID4011853,,,,,,,,,,,,,,,0.0,,
CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)CCc2nc3ccccc3s2)c1,CID3256448,,,,,,,,,0.0,,,,,,,,
CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)CCc2nc3ccccc3s2)c1,CID3555120,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(-c2cc(CCCC(=O)Nc3cc(OC)ccc3OC)no2)cc1,CID3243514,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(NC(=O)CCCc2cc(-c3ccc(OCC)cc3)on2)cc1,CID9551508,,,,,,,,,,,,0.0,,,,,
CCOc1ccc(-c2cc(CCCC(=O)Nc3cccc(OC)c3)no2)cc1,CID5308704,0.0,,,,,,,,,,,,,,,0.0,
COc1ccc(/C=C(\C#N)C(=O)N2CCOCC2)cc1Br,CID2256979,,,,,,,,,,,,0.0,,,0.0,,
O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCOCC1,CID682151,,,,,,,,,,,,,,,0.0,,
COc1ccccc1/C=C/C(=O)N1CCOCC1,CID886941,,,,,,,,,0.0,,,,,0.0,0.0,,
Cc1ccc(SCCC(=O)N2CCC(C)CC2)cc1,CID900529,,,,,,,,,,0.0,,,,,,,
Cc1ccc(SCCC(=O)N2CCC(C(N)=O)CC2)cc1,CID649130,,,,,0.0,,0.0,,,,,,,,,,
NC(=O)C1CCN(C(=O)CCSc2ccccc2)CC1,CID769769,,,,,,,,,,,,0.0,,,,,
Cc1cccc(CS(=O)(=O)c2nnc(C(Cc3ccccc3)NC(=O)OC(C)(C)C)o2)c1,CID2010180,,,,,,,,,0.0,,,,,,,,
CC(C)(C)OC(=O)NC(Cc1ccccc1)c1nnc(S(=O)(=O)Cc2ccccc2)o1,CID666554,,,0.0,,,,,,,,,,1.0,,,,
CC(C)(C)OC(=O)NC(Cc1ccccc1)c1nnc(S(=O)(=O)Cc2cccc(F)c2)o1,CID665561,,,,,,0.0,,,,0.0,,,1.0,,,,
O=C(Nc1ccccc1)c1cc(-c2ccccc2Cl)no1,CID2769309,,,,,,0.0,,,,,,,,0.0,,,
COc1ccc(-c2cc(C(=O)Nc3ccccc3)on2)cc1,CID2769299,,,,,,,,,,,,,,0.0,,,
COc1ccc(NC(=O)c2cc(-c3ccccc3Cl)no2)cc1,CID2769310,,,,,,0.0,,,,,,,,0.0,,,
C(=N/n1cnnc1)\c1cccc2ccccc12,CID484481,,,,,,0.0,,0.0,,0.0,0.0,,,,,,
CCCOc1ccc2ccccc2c1/C=N/n1cnnc1,CID2292444,,0.0,,,,,,0.0,,,,,,0.0,,,0.0
COc1cccc2cccc(/C=N/n3cnnc3)c12,CID2306465,,,,,,,,,,,,,,,0.0,,
O=C(NC(=S)Nc1ccc(Br)cn1)c1cncc(Br)c1,CID4189572,,,,,,,,,,,,0.0,,,,,
Cc1cccnc1NC(=S)NC(=O)c1cncc(Br)c1,CID1302558,,,,,,,,,,,,,,0.0,,,
O=C(NC(=S)Nc1ccccn1)c1cncc(Br)c1,CID806942,,,,,,,,,,,,,,0.0,,,
NC(=O)c1ccccc1NC(=O)CS(=O)(=O)Cc1ccccc1,CID977540,,,,,,,0.0,0.0,0.0,,0.0,,,,,,
COC(=O)c1ccc(NC(=O)CS(=O)(=O)Cc2ccccc2)cc1,CID977497,,0.0,,,,,,,0.0,0.0,,,,,0.0,0.0,
CC(C)NC(=O)c1ccccc1NC(=O)CS(=O)(=O)Cc1ccccc1,CID2227866,,,,,,,,,0.0,,,,,,,,
CCSc1nc(=S)n(CC)c(C)c1C(C)=O,CID891628,,,,,,,0.0,,,,,,,,,,
C=CCn1c(C)c(C(C)=O)c(SC)nc1=S,CID757734,,,,,,0.0,0.0,,,,,,0.0,,,,
CCn1c(C)c(C(C)=O)c(SC)nc1=S,CID1345057,,,,,,,,,,,0.0,,,,,,
CCOC(=O)/C=c1\s/c(=C(/C#N)C(=O)NC)n(-c2ccccc2)c1=O,CID4640708,,,,,,0.0,,,0.0,,,,,,,,
CCOC(=O)/C=c1\s/c(=C(/C#N)C(=O)OCC)n(-c2ccccc2)c1=O,CID661647,,,,0.0,,,,0.0,0.0,0.0,,,,,,,
CCOC(=O)/C(C#N)=c1\s/c(=C\C(=O)OC)c(=O)n1-c1ccccc1,CID661606,,,,,,,0.0,,0.0,,,,,0.0,,,
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCCOc3ccc(Cl)cc3)o2)c1,CID2079835,,,,,,,,,0.0,,,,,,,,
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCCOc3ccccc3)o2)c1,CID2080328,,,,0.0,,0.0,,,,0.0,0.0,,,0.0,,,
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCCOc3ccccc3C)o2)c1,CID2079942,,0.0,,,,,,,,,,,,,,,
C=C(c1ccc(OCCO)cc1)c1ccc(OCCO)cc1,CID660384,,,,,0.0,,,0.0,,,0.0,,0.0,,,,
C=C(c1ccc(O)cc1)c1ccc(O)cc1,CID660572,,,,0.0,,,,0.0,,,0.0,,0.0,,,,
C=C(c1ccc(OC)cc1)c1ccc(OC)cc1,CID316724,,,,,,,,,,,0.0,,,,,,
Cc1nn2cc(-c3ccccc3)nc2s1,CID3000039,,0.0,0.0,,,,,,,,,,0.0,,0.0,,0.0
CCc1nn2cc(-c3ccccc3)nc2s1,CID761213,,,,,,,,,,,,,,,,,0.0
Cc1nn2cc(-c3ccc(N)cc3)nc2s1,CID576560,,,0.0,0.0,,,,,,,,,0.0,,,,
COc1ccc(/C=N/NC(=O)CCCCCNC(=O)c2ccccc2)cc1,CID4011283,,,,,,,,,,,,,,,0.0,,
O=C(CCCCCNC(=O)c1ccccc1)N/N=C/c1ccc(F)cc1,CID2131619,,,,,,,,,,,,,,,0.0,,
O=C(CCCCCNC(=O)c1ccccc1)N/N=C/c1ccccc1,CID4332121,,,,,,,,,,,,,,0.0,,,
Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1-n1cnnn1,CID1442068,,,,,,,,,,,,,,,0.0,,
CC1CCCCC1NS(=O)(=O)c1ccc(-n2cnnn2)cc1,CID650173,,,,,,0.0,,,,,0.0,,0.0,,,,
CN(C1CCCCC1)S(=O)(=O)c1ccc(-n2cnnn2)cc1,CID644481,,0.0,,,0.0,,0.0,,,,0.0,,,,,0.0,
CCC1(C)Cc2c(C#N)c(N)n(N)c(=S)c2CO1,CID2951271,,,,,,,,,,0.0,,,,,,,
CCO/C=N/c1c(C#N)c2c(c(=S)n1C)COC(C)(C)C2,CID2196311,,,0.0,,,,0.0,,,,,,,,,,
Cn1c(N)c(C#N)c2c(c1=S)COC(C)(C)C2,CID687351,,,,,,,,,,0.0,,,,,,,
Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC(C)OC(C)C1,CID627025,,0.0,0.0,,,,,,,,,,0.0,,,0.0,0.0
Cc1onc(-c2ccccc2)c1C(=O)N1CCOCC1,CID652190,,,,0.0,,,,0.0,,,,,,,,,
Cc1onc(-c2ccccc2)c1C(=O)N1CC(C)OC(C)C1,CID2867735,,,,,,,0.0,,,,,,,,,,
Cc1cc(C)nc(N2CCCC(C(=O)NCCc3ccccc3F)C2)n1,CID647081,,,,,,,0.0,,,,,0.0,,,,,
Cc1cc(C)nc(N2CCCC(C(=O)NCCc3ccc(F)cc3)C2)n1,CID647754,,0.0,,,,0.0,,0.0,,,,0.0,,,,,
Cc1cc(C)nc(N2CCCC(C(=O)NCCc3cccc(F)c3)C2)n1,CID651412,,0.0,,,,,,,,,,0.0,,,,,
CC1CCCc2sc3nc(NCc4ccco4)n4ncnc4c3c21,CID665675,,,0.0,,,,,,,,,,,,,0.0,
CC1CCc2sc3nc(NCc4ccco4)n4ncnc4c3c2C1,CID665391,,,,,,,,0.0,,,0.0,,,,0.0,0.0,
c1coc(CNc2nc3sc4c(c3c3ncnn23)CCCC4)c1,CID665047,,0.0,0.0,,,,,,,,0.0,,,,,0.0,
CC(=O)c1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(C(C)=O)c3)cc2)c1,CID269360,,,,,,0.0,,,,,,,,,,,
CC(=O)N(C)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(N(C)C(C)=O)cc3)cc2)cc1,CID1010625,,,,,,0.0,,,,,,,,,,,
Cc1cc(C)c(NC(=O)c2ccc(C(=O)Nc3c(C)cc(C)cc3C)cc2)c(C)c1,CID1010255,,,,,,0.0,,,,,,,,,,,
O=C(CSc1nnc(COc2cccc3cccnc23)o1)c1ccc(F)cc1,CID648050,0.0,,,,0.0,,,0.0,,,,,0.0,,,,0.0
Cc1ccc(C(=O)CSc2nnc(COc3cccc4cccnc34)o2)cc1,CID650551,0.0,,0.0,0.0,,0.0,,,,,,,0.0,0.0,,0.0,0.0
COc1cccc(C(=O)CSc2nnc(COc3cccc4cccnc34)o2)c1,CID645129,,,,,,,,,,,0.0,,0.0,,,0.0,0.0
Cc1c(C(=O)N2CCN(c3ccccn3)CC2)oc2ccccc12,CID1247011,0.0,0.0,0.0,0.0,,,0.0,,,,0.0,,,,0.0,,
Cc1c(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)oc2ccccc12,CID2999217,,,,,0.0,,,,,,,,,,,,0.0
COCc1c(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)oc2ccccc12,CID4878436,,,,,,,,,0.0,,,,,,,,
Cc1nnsc1C(=O)Nc1ccc(Cl)cc1Cl,CID1484240,,,,,,,,,,0.0,,,,,,,
Cc1nnsc1C(=O)Nc1ccccc1Cl,CID658031,,0.0,,,,,,,,,,,,,,,
Cc1nnsc1C(=O)Nc1ccc(Cl)cc1,CID850802,,,,,,,,,,,,,,0.0,,,
O=C(NCc1cccs1)C1CCCN1S(=O)(=O)c1ccccc1F,CID2999598,,,0.0,,0.0,0.0,0.0,,,,,,0.0,,,,
Cc1ccc(S(=O)(=O)N2CCCC2C(=O)N(C)Cc2cccs2)cc1,CID2999692,,,0.0,,,0.0,0.0,,0.0,,0.0,,0.0,,,,
COc1ccc(S(=O)(=O)N2CCCC2C(=O)NCc2cccs2)cc1,CID645585,,,0.0,0.0,0.0,0.0,,,,,,,0.0,,,,
CCn1ncc(/C=C/C(=O)NCc2cnn(C)c2C)c1C,CID844508,,,,,,,,,,,,0.0,,,0.0,,
CCn1cc(/C=C/C(=O)NCc2c(C)nn(C)c2C)cn1,CID1235974,,,,,,0.0,,,,,,,,,,,
Cc1nn(C)cc1CNC(=O)/C=C/c1cnn(C)c1,CID844533,,,,,,,,,,,,,,,0.0,,
COc1cccc(-n2nnc(S(=O)(=O)c3ccc(C)cc3)c2N)c1,CID1510073,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)c2nnn(-c3cccc(F)c3)c2N)cc1,CID1508411,,,,,,,,,,,,,,0.0,,,
Nc1c(S(=O)(=O)c2ccccc2)nnn1-c1ccccc1,CID3235835,,,0.0,,,,,,0.0,0.0,,0.0,0.0,,,0.0,
CCn1nc(C)c(NC(=O)/C=C/c2cnn(C)c2)c1C,CID844505,,,,,,,,,,,,0.0,,,,,
CCn1nc(C)c(NC(=O)/C=C/c2cnn(C)c2C)c1C,CID844487,,,,,,,,,,,,0.0,,,,,
CCn1ncc(/C=C/C(=O)Nc2c(C)nn(CC)c2C)c1C,CID844788,,,,,,0.0,,,,,,0.0,,,,,
CCOC(=O)Cc1csc(NC(=O)c2c(O)n(CCC(C)C)c3ccccc3c2=O)n1,CID978781,,,,,,,,,,,,,,,0.0,,
CCOC(=O)Cc1csc(NC(=O)c2c(O)n(CC(C)C)c3ccccc3c2=O)n1,CID978779,,,,,,,,,,0.0,,,,0.0,0.0,,
CCOC(=O)Cc1csc(NC(=O)c2c(O)n(C)c3ccccc3c2=O)n1,CID652590,,,,,,,,,,,,,0.0,,,0.0,
CCCc1nnc(SCc2ccc(C(=O)OC)o2)n1N,CID895359,,,0.0,0.0,,,,,,,,0.0,,0.0,,0.0,
CCOC(=O)c1ccc(CSc2nnc(C)n2N)o1,CID741344,,,,,,,,,,0.0,,0.0,,,0.0,,
CCOC(=O)c1ccc(CSc2nncn2N)o1,CID741342,,,,,,,,,,,,0.0,,,,,
CCc1ccccc1N(CC(=O)NCc1ccco1)C(=O)c1snc(C(N)=O)c1N,CID648861,,,,,0.0,,,,,0.0,,,,,,0.0,
Cc1cc(C)cc(N(CC(=O)NCc2ccco2)C(=O)c2snc(C(N)=O)c2N)c1,CID3195653,,,,,,,,,,0.0,,,,,,,
NC(=O)c1nsc(C(=O)N(CC(=O)NCc2ccco2)c2ccccc2F)c1N,CID3195654,,,,,,,,,,0.0,,,,,,,
O=c1c2oc3ccccc3c2ncn1Cc1ccccc1F,CID3238350,,,0.0,,,0.0,,,,,,0.0,0.0,,,,
O=c1c2oc3ccccc3c2ncn1Cc1ccccc1Cl,CID3239131,,,,,,,0.0,,,0.0,,,,0.0,,0.0,0.0
COc1ccccc1Cn1c(SCC(N)=O)nc2c(oc3ccccc32)c1=O,CID2150075,,,,,,,,,,,,,,0.0,,,
O=C(CSc1ncn(-c2ccccc2)n1)Nc1nc(-c2ccccc2)cs1,CID1006908,,,,,,,,,,0.0,0.0,,,,,,
Cc1ccc(-c2csc(NC(=O)CSc3ncn(-c4ccccc4)n3)n2)cc1,CID2202285,0.0,0.0,,,0.0,,,,,,0.0,,,,,,0.0
Cc1sc(NC(=O)CSc2ncn(-c3ccccc3)n2)nc1-c1ccccc1,CID1006911,,,,,,,,,,,,0.0,,,,,
CCCNS(=O)(=O)c1ccc(CCC(=O)NCC2CCCO2)cc1,CID653232,,,,,,,,,,,,,,,,0.0,
CC(C)CNS(=O)(=O)c1ccc(CCC(=O)NCC2CCCO2)cc1,CID2950846,,,,,,,,,,,,,,,,0.0,
CC(CC(=O)NCC1CCCO1)c1ccccc1,CID2914304,,,,,,,,,,,,,,,0.0,,
CCc1cccc(NC(=O)Cn2ncn3c(cc4ccccc43)c2=O)c1,CID3243499,0.0,0.0,,,,,,,,,,,,,,,
CN(C)c1ccc(NC(=O)Cn2ncn3c(cc4ccccc43)c2=O)cc1,CID3244843,,0.0,0.0,,,,,0.0,,,,,0.0,,,,
Cc1cc(C)cc(NC(=O)Cn2ncn3c(cc4ccccc43)c2=O)c1,CID3237819,0.0,,0.0,,,0.0,,,,,,,,,,,
O=C(O)c1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2Cl)cc1,CID1364583,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2)cc1,CID1268360,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2Cl)cc1,CID1204398,,,,,,0.0,,,,,,,,,,,
O=C(Oc1ccc2c(c1)OCC2=O)c1ccccc1,CID732046,,,0.0,,,,0.0,0.0,,,,,,0.0,0.0,,
COc1cc(C(=O)Oc2ccc3c(c2)OCC3=O)cc(OC)c1OC,CID732049,,,,,,,,,,,,,,,0.0,,
CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OCC3=O)cc1,CID732047,,,,,,,,,0.0,,0.0,,,,,,
O=[N+]([O-])c1ccc(Oc2cccc(Br)c2)c2ccncc12,CID2571709,,,,,,,,,0.0,,0.0,0.0,,,0.0,,
O=[N+]([O-])c1ccc(Oc2ccc(F)cc2Br)c2ccncc12,CID2569348,,,,,,,,,,,0.0,,,,0.0,,
O=[N+]([O-])c1ccc(Oc2ccc(F)cc2)c2ccncc12,CID2570042,,,,,,,,,,,,,,,0.0,,
CCOC(=O)C1=C(C)N/C(=C/c2ccc(OC)c(OC)c2)C1=O,CID9550489,,,,,,,,,,,0.0,,,,,,
CCOC(=O)C1=C(C)N/C(=C/c2ccccc2Cl)C1=O,CID5349536,,,,,,0.0,,,,,,,,,,,
COC(=O)C1=C(C)N/C(=C/c2ccc(O)c(OC)c2)C1=O,CID9550944,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1sc2ncnc(N3CCN(C(=O)OCC)CC3)c2c1C,CID3236381,,0.0,,0.0,,,,,0.0,,,,,,,0.0,
Cc1nc(N2CCN(C(=O)CCC(=O)O)CC2)c2c(C)c(C)sc2n1,CID655085,,,0.0,0.0,,,,0.0,0.0,0.0,,,,,,0.0,0.0
CCC(=O)N1CCN(c2nc(C)nc3sc(C)c(C)c23)CC1,CID649969,,,,,,,,,,,,,0.0,,,,
Cc1cc(NC(=O)CSc2c(C)[nH]c3ccccc23)no1,CID2153531,,0.0,,0.0,0.0,,,0.0,,,,,,,,,
CCn1cc(SCC(=O)Nc2cc(C)on2)c2ccccc21,CID4351566,0.0,,,,0.0,,,0.0,,,,,,,,,
Cc1cc(NC(=O)CSc2cn(C)c3ccccc23)no1,CID4232857,0.0,,,,0.0,0.0,,,,,,,,,,,
Cc1cc(C)c2c(n1)nn1c(NCCOCCO)cc(C)nc21,CID666121,,0.0,0.0,0.0,,,0.0,,,,,,,,,,
COCCNc1cc(C)nc2c3c(C)cc(C)nc3nn12,CID667392,,0.0,,0.0,,,,0.0,,0.0,,0.0,,,,,
Cc1cc(C)c2c(n1)nn1c(NCCCN(C)C)cc(C)nc21,CID666811,,0.0,,,,,,0.0,,0.0,,,,,,,
COc1ccc2oc(=O)c(-c3nnc(NCc4ccco4)s3)cc2c1,CID3245409,,0.0,,,0.0,,,0.0,,,,,,,,0.0,
CCOc1cccc2cc(-c3nnc(NCc4ccco4)s3)c(=O)oc12,CID3243108,0.0,0.0,,,0.0,0.0,,,,0.0,,,,,0.0,0.0,0.0
O=c1oc2ccccc2cc1-c1nnc(NCc2ccco2)s1,CID4080323,,,,,,0.0,,,,,0.0,,,,,,
O=C(c1cc2ccccc2o1)c1cccs1,CID684173,,0.0,,0.0,,,0.0,,,0.0,,,,0.0,,,
Nc1c(C(=O)c2ccc(Br)s2)oc2ccccc12,CID687093,,,,,,,,,0.0,,,0.0,,0.0,,,0.0
Nc1c(C(=O)c2cccs2)oc2ccccc12,CID2121596,,,,,0.0,,0.0,,,0.0,,,,,,,
O=C(Nc1nc(=O)c2ccccc2s1)c1ccccc1,CID658982,,,,,,,0.0,,,,0.0,0.0,,,,,0.0
O=C(Nc1nc(=O)c2ccccc2s1)c1ccc(Cl)cc1,CID738863,,,,,,,,,,,,,,,0.0,,
O=C(Nc1nc(=O)c2ccccc2s1)c1ccc(F)cc1,CID738864,,,,,,,,,,,,0.0,,,,,
Clc1ccc(OCCn2c(-c3ccco3)nc3ccccc32)cc1,CID962251,,,,,,,,,,,,,,0.0,,,
Cc1cccc(OCCn2c(-c3ccco3)nc3ccccc32)c1,CID962255,,,,,,,,,0.0,,0.0,,,,,,
c1ccc(OCCn2c(-c3ccco3)nc3ccccc32)cc1,CID800777,0.0,,,,,0.0,0.0,,,,,0.0,,,,,
CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(c2ccc(OC)cc2)CC1,CID3244356,0.0,,,,,,,,,,,,0.0,,,,0.0
CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(c2ccccc2OC)CC1,CID3236309,0.0,,0.0,,,,,,0.0,,,0.0,,,,,
CCOC(=O)c1cnc2ccc(OCC)cc2c1N1CCN(c2ccccc2OC)CC1,CID9550588,,,,,,0.0,,,,,,,,,,,
O=C(NNc1nc(-c2ccc(Cl)cc2)cs1)c1ccco1,CID827780,,,,,,,,,,,,,,,0.0,,
O=C(NNc1nc(-c2ccccc2)cs1)c1ccco1,CID827779,,,,,,,,,,,,,,,0.0,,
O=C(NNc1nc(-c2ccc(Br)cc2)cs1)c1ccco1,CID1037907,,,,,,,,,,,,,,0.0,,,
NC(=O)c1ccc(-n2nnnc2SCC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)cc1,CID2220268,,,,,0.0,,,,,,,,,,,,
O=C(CSc1nnnn1-c1ccc(O)cc1)Nc1ccc(N2CCOCC2)c(Cl)c1,CID1398293,,,,,,,,,,,0.0,,,0.0,,,
O=C(CSc1nnnn1-c1ccccc1)Nc1ccc(N2CCOCC2)c(Cl)c1,CID2193358,0.0,,,,0.0,,,,,,0.0,,,,,,0.0
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1,CID2998530,,,,,0.0,0.0,,0.0,,0.0,1.0,,0.0,,,,0.0
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)c3cc(C)n(C)c3C)o2)c1,CID2081224,,0.0,0.0,,0.0,,,,,,,0.0,,,,,0.0
C=CCn1c(C)cc(C(=O)CSc2nnc(-c3cccc(S(=O)(=O)N(CC)CC)c3)o2)c1C,CID2081136,,,,,,,,,,,0.0,,,,,0.0,0.0
COc1ccc(-n2nnc3c(=O)n(CC(=O)OCc4ccccc4)cnc32)cc1,CID5310117,,,0.0,,,,,,,,,,,,,,
COc1cccc(-n2nnc3c(=O)n(CC(=O)OCc4ccccc4)cnc32)c1,CID3236003,0.0,0.0,,,,,,0.0,,,,,,,,,
Cc1ccc(-n2nnc3c(=O)n(CC(=O)OCc4ccccc4)cnc32)cc1,CID5310401,,,,,,,,0.0,,,,,,,,,0.0
Cc1ccc(C(C)C)c(OCc2nc(-c3nonc3N)no2)c1,CID715594,,,,,,,,,,,,0.0,,,0.0,,
Nc1nonc1-c1noc(COc2ccccc2Cl)n1,CID567548,,,0.0,0.0,,,,,,,,0.0,,,,,
Cc1cccc(OCc2nc(-c3nonc3N)no2)c1C,CID728724,,0.0,,,,,0.0,0.0,,,,,,,0.0,,
COc1cccc(NC(=O)Nc2nnc(-c3ccccc3SCc3ccccc3)s2)c1,CID1964765,,,,,,,,,,0.0,0.0,0.0,,,,,
O=C(Nc1nnc(-c2ccccc2SCc2ccccc2F)s1)Nc1ccccc1F,CID1971691,,,,,,,,,,0.0,,,,,,,
COc1ccc(NC(=O)Nc2nnc(-c3ccccc3SCc3ccccc3)s2)cc1,CID2895599,,,,,,,,,,0.0,0.0,,,,,,
COc1ccc(C2C(C(=O)Nc3cccc(C)n3)c3ccccc3C(=O)N2C)cc1,CID3240924,,,,,0.0,0.0,0.0,,,0.0,0.0,,,,0.0,,
COc1ccc(C2C(C(=O)Nc3cccc(C)n3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC,CID3236070,,,0.0,,0.0,,0.0,,0.0,,,,0.0,,,,
COc1ccc(C2C(C(=O)Nc3cccc(C)n3)c3ccccc3C(=O)N2C)cc1OC,CID3237794,,,0.0,,0.0,,0.0,,0.0,,,0.0,0.0,,,0.0,
Cc1cccc(NC(=S)c2nc3ccccc3s2)c1,CID886487,,,,,,0.0,,,,,,,,,,,
S=C(Nc1ccc(Cl)cc1)c1nc2ccccc2s1,CID886312,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC(=S)c2nc3ccccc3s2)cc1,CID886085,,,,,,0.0,,,,,,,,,,,
Cc1nc(CC(=O)O)c(-c2ccccc2)s1,CID716695,,,0.0,,,,,,,,,0.0,,,,,
Cc1ccc(-c2sc(C)nc2CC(=O)O)cc1,CID2388429,,0.0,,0.0,,,,,0.0,0.0,,0.0,0.0,0.0,0.0,,0.0
COC(=O)c1nc(N)sc1-c1ccccc1,CID664327,,,0.0,,0.0,,,0.0,,0.0,0.0,,0.0,,,,0.0
Cc1cc2cc(CNC(=O)c3ccc(Br)o3)ccc2n1C,CID4063939,0.0,,,,,,,,,,,,,,,0.0,
Cc1cc2cc(CNC(=O)c3ccc(Br)o3)ccc2[nH]1,CID3573352,0.0,,,,,,,,,,,,,,,,
Cc1cc2cc(CNC(=O)c3ccco3)ccc2n1C,CID4360678,,,0.0,,0.0,,,,,,,,,,,0.0,
CC(Oc1ccccc1)C(=O)Nc1cccnc1,CID2897820,,,,,,,,0.0,,,,,,,,0.0,
CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccnc1,CID888389,0.0,,0.0,,,0.0,,,,,,,0.0,,,,
COc1ccc(OC(C)C(=O)Nc2cccnc2)cc1,CID2952561,,,,,,,,,,0.0,,,,,,,
O=C(c1ccccc1)c1ccc(OCC(O)CN2CCOCC2)cc1,CID2951338,,0.0,,,,,,,,,,,,,,,
CC1CN(CC(O)COc2ccc(C(=O)c3ccccc3)cc2)CC(C)O1,CID2998222,,,,0.0,,,0.0,,,,,0.0,,,,,0.0
O=C(c1ccc(Cl)cc1)c1ccc(OCC(O)CN2CCOCC2)cc1,CID2945170,,0.0,,0.0,,,,,,,0.0,,,,,0.0,0.0
Cn1c(CN2CCOCC2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21,CID666066,0.0,0.0,,0.0,,,,,,,,0.0,,,,0.0,
Cn1c(CN2CCOCC2)nc2cc(NC(=O)c3ccccc3Cl)ccc21,CID1250844,0.0,,,,,,0.0,,,,,,,,0.0,0.0,0.0
Cn1c(CN2CCOCC2)nc2cc(NC(=O)c3ccc(F)cc3)ccc21,CID1251870,,,,,,,,,,,0.0,0.0,0.0,,,,
CCCn1c(=O)c2ccccc2n2c(SCC(=O)NCc3cccs3)nnc12,CID2493197,0.0,,,,0.0,0.0,0.0,,0.0,0.0,,,,,0.0,0.0,
C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCc3cccs3)nnc12,CID2375409,0.0,0.0,,0.0,0.0,0.0,0.0,,0.0,,,,,,,0.0,0.0
CCn1c(=O)c2ccccc2n2c(SCC(=O)NCc3cccs3)nnc12,CID655379,0.0,,,0.0,0.0,,,,0.0,,,,,,,,
Cc1cc(C(=O)CN2CC(C)OC(C)C2)c(C)n1-c1ccccc1,CID3601182,,,,,,,,0.0,,,,,,,,,
Cc1ccc(-n2c(C)cc(C(=O)CN3CCOCC3)c2C)cc1C,CID675362,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1cc(C(=O)OCC)cc(-n2c(C)cc(C(=O)CN3CCOCC3)c2C)c1,CID1251220,,0.0,0.0,,,,,,0.0,0.0,,,,,,,
CC(=O)c1c(N2CCN(c3cccc(Cl)c3)CC2)nc(=S)n(-c2ccccc2)c1C,CID1315716,0.0,0.0,0.0,,0.0,,,,,,0.0,0.0,,,,,0.0
COc1ccc(N2CCN(c3nc(=S)n(-c4ccccc4)c(C)c3C(C)=O)CC2)cc1,CID1213867,0.0,,0.0,,,,,,,,,,,,,0.0,
CC(=O)c1c(N2CCN(c3ccccc3)CC2)nc(=S)n(-c2ccccc2)c1C,CID1357539,0.0,,0.0,,,0.0,,,,,,,,,,0.0,
Cc1ccc(OC(=O)c2sc(Cl)nc2C)cc1C,CID850257,,,,,,,,,,,,,,0.0,,,
Cc1cccc(OC(=O)c2sc(Cl)nc2C)c1,CID850256,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)c(C)c(OC(=O)c2sc(Cl)nc2C)c1,CID850580,,,,,,,,,,,,,,0.0,,,
O=C(Nc1ccc(Cl)cn1)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1,CID2997870,0.0,,,,,,,,,,,,0.0,,0.0,,
O=C(Nc1ccc(Cl)cn1)C1CCCN1S(=O)(=O)c1ccccc1,CID660638,,0.0,0.0,0.0,0.0,,,,,,0.0,0.0,,,,,0.0
O=C(Nc1ccc(Br)cn1)C1CCCN1S(=O)(=O)c1ccccc1,CID5133178,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1c(NC(=O)CCc2ccc(CC)o2)sc(C)c1C,CID943143,,,,,,,,,,0.0,,0.0,,0.0,,,
CCc1ccc(CCC(=O)Nc2sc(C)c(C)c2C(=O)OC)o1,CID943691,,,,,,,,,,,,,,0.0,,,
COC(=O)c1c(NC(=O)CCc2ccc(C)o2)sc(C)c1C,CID2237100,,,0.0,0.0,0.0,,,,,,,,,,,,
COc1ccc(S(=O)(=O)N2CCN(c3nc4ccccc4nc3-n3nc(C)cc3C)CC2)cc1,CID2231318,,,,,,,,0.0,,,,,0.0,,,0.0,0.0
Cc1ccc(S(=O)(=O)N2CCN(c3nc4ccccc4nc3-n3nc(C)cc3C)CC2)cc1,CID1512403,0.0,0.0,,,0.0,,,,,,0.0,,,,,,
Cc1cc(C)n(-c2nc3ccccc3nc2N2CCN(S(=O)(=O)c3ccc(F)c(C)c3)CC2)n1,CID2230330,,,,,,,,,,,0.0,,,,,0.0,
CCn1nnc(-c2ccccc2NC(=O)c2cc(OC)c(OC)c(OC)c2)n1,CID646773,,,,0.0,,,0.0,,,,,0.0,,,,,
COCCCNC(=O)Cn1nnc(-c2ccccc2NC(=O)c2ccc(F)cc2)n1,CID654103,,,,,,,,,,,,0.0,,,,,
CCn1nnc(-c2ccccc2NC(=O)c2cc(OC)cc(OC)c2)n1,CID645686,0.0,,0.0,,,,,,,,,0.0,,,0.0,,
COc1cc(OC)cc(C(=O)N2CCN(C(=O)COc3ccc4ccccc4c3)CC2)c1,CID647421,,0.0,,,0.0,,,0.0,0.0,,,,,,,0.0,
COc1cc(C(=O)N2CCN(C(=O)COc3ccc4ccccc4c3)CC2)cc(OC)c1OC,CID1148076,,,0.0,,,,,0.0,,,,,,,,,
O=C(COc1ccc2ccccc2c1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1,CID1147903,,,,,,,,,,,,,,0.0,,,
O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)NCc1ccco1,CID644734,,0.0,,,,,,0.0,,,,,0.0,,,0.0,
O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)NCc1ccco1,CID1251791,,,0.0,0.0,,,,,,,,,0.0,,0.0,,
Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)NCc1ccco1,CID2975890,,,,,,,,,0.0,0.0,0.0,,,,,0.0,
O=C(c1cc2cc(Br)ccc2o1)N1CCOCC1,CID2988316,,,,,,,,,,,,,,,0.0,,
Cc1c(C(=O)N2CC(C)OC(C)C2)oc2ccccc12,CID2970615,,0.0,,,,,,,,,,,,,,,
CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)N3CCOCC3)c(C)c2c1,CID3241546,,,,,,,,0.0,,,,0.0,,,0.0,0.0,
Cc1nc2cc(-c3ccccc3)nn2c(C)c1CCC(=O)N1CCC2(CC1)OCCO2,CID3241529,0.0,,,0.0,,,,0.0,,,0.0,,0.0,,,,
Cc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)N1CCC2(CC1)OCCO2,CID3245990,,,,,,,,,,,,,,,0.0,,
Cc1nc2cc(-c3ccc(Cl)cc3)nn2c(C)c1CCC(=O)N1CCC2(CC1)OCCO2,CID3242882,0.0,,0.0,,,,,,,,,,0.0,,,,
Cc1oc(CC(C)C)cc1C(=O)Nc1cccc2ccccc12,CID597032,,,,,,,,,,0.0,,,,0.0,,,
Cc1occc1C(=O)Nc1cccc2ccccc12,CID877334,,,,,,,,,0.0,,,,,,,0.0,
Cc1cc(C(=O)Nc2cccc3ccccc23)c(C)o1,CID705541,,,,,,0.0,,,,,,,,,,,
COc1ccc(-c2nc3ccccc3c(=O)n2CCCN2CCOCC2)cc1,CID1249730,0.0,0.0,,,0.0,,,,0.0,0.0,0.0,0.0,,,,,
O=c1c2ccccc2nc(-c2ccccc2)n1CCCN1CCOCC1,CID666734,0.0,0.0,0.0,,,,,,0.0,0.0,0.0,,,,,,
Cc1ccc(-c2nc3ccccc3c(=O)n2CCCN2CCOCC2)cc1,CID665988,0.0,,0.0,,,,,,0.0,0.0,,0.0,,,,,
COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCN5CCCC5C4)c3n2)cc1,CID651358,,,,,,,0.0,,0.0,,,,,,,,
Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCN5CCCC5C4)c3n2)cc1,CID2945472,0.0,,0.0,,,,,,,,,,0.0,,,,
O=C(c1cnn2c(C(F)F)cc(-c3ccccc3)nc12)N1CCN2CCCC2C1,CID2964189,,,0.0,,,,,,,,,,0.0,,0.0,,
O=C(CN1CCOCC1)N1CCN(S(=O)(=O)c2ccccc2)C1,CID747981,,,,,,,0.0,0.0,,,,0.0,,,,,0.0
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCOCC3)C2)cc1,CID1246518,,,,,,,,,,,,,,,0.0,,0.0
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCOCC3)C2C(C)C)cc1,CID654303,,,,0.0,,,,,,0.0,,,,,,,0.0
Cc1ccc(/C=N/NC(=O)c2cncc(Br)c2)o1,CID773017,,,,,,,,,,,,,,,0.0,,
Cc1ccc(/C=N/NC(=O)c2cccnc2)o1,CID5337565,,,,,,0.0,,,,,,,,,,,
O=C(N/N=C/c1ccc(Br)o1)c1cccnc1,CID739457,,,,,,,,,,,,,,0.0,0.0,,
COCCCNC(=O)Cn1ncc2ccsc2c1=O,CID5309638,,,,0.0,,,0.0,,,,,,,,0.0,,0.0
COCCNC(=O)Cn1ncc2ccsc2c1=O,CID5309318,,,,0.0,,,,,,,0.0,,,,,,
COC(CNC(=O)Cn1ncc2ccsc2c1=O)OC,CID6623006,,,,,,,,,0.0,,,,,,,,
O=S(=O)(NCCNS(=O)(=O)c1ccccc1)c1ccccc1,CID72892,,,,,0.0,,,,,0.0,0.0,,0.0,0.0,,,
Cc1ccc(S(=O)(=O)NCC(C)NS(=O)(=O)c2ccc(C)cc2)cc1,CID2932603,,,,,0.0,,0.0,,,,0.0,,0.0,,,,
CC(=O)Nc1ccc(S(=O)(=O)NCC(C)NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1,CID2931447,,0.0,,,,,,,,0.0,,,0.0,,,,
COc1ccccc1C(=O)NC(NC(=O)c1ccccc1OC)c1cccc([N+](=O)[O-])c1,CID1345602,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(NC(=O)c2cccc(OC)c2)NC(=O)c2cccc(OC)c2)cc1,CID981601,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(NC(=O)c2ccccc2)NC(=O)c2ccccc2)cc1OC,CID988127,,,,,,0.0,,,,,,,,,,,
COc1ccc(C2=NOC(C(=O)NCc3cccs3)C2)cc1,CID9550382,,,,,,0.0,,,,,,,,,,,
COc1cc(C2=NOC(C(=O)NCc3cccs3)C2)cc(OC)c1OC,CID9551153,,,,,,0.0,,,0.0,,,,,,,,
COc1cccc(C2=NOC(C(=O)NCc3cccs3)C2)c1,CID9550594,,,,,,,,,,0.0,,,,,,,
CCOc1ccc2c(c1)=C(c1ccc(C)cc1)NN=C(c1ccc(C)cc1)N=2,CID3166556,,,,,,,,,,,0.0,,,,,,
CCOc1ccc2c(c1)=C(c1ccc(C)cc1)NN=C(c1ccc(OC)cc1)N=2,CID3166560,,,,,,,,,0.0,0.0,,0.0,,,,,
CCc1ccc2c(c1)=C(c1ccc([N+](=O)[O-])cc1)NN=C(c1ccc(F)cc1)N=2,CID3135950,,,,,,,,,,,,0.0,,,,,
O=C(Nc1ccc(-c2noc(COc3ccccc3Cl)n2)cc1)c1ccco1,CID3236488,,0.0,,,,,,,,,,,,,,,0.0
Cc1ccccc1OCc1nc(-c2ccc(NC(=O)c3ccco3)cc2)no1,CID3238276,,,0.0,,,,,,,0.0,,,0.0,,,,
CCCc1ccc(OCc2nc(-c3ccc(NC(=O)c4ccco4)cc3)no2)cc1,CID1292336,,,0.0,,,,,0.0,,0.0,0.0,,0.0,0.0,,,0.0
COc1cc(-c2[nH]nc3c2C(c2ccoc2)C(C#N)=C(N)O3)cc(OC)c1OC,CID2886953,,,,,,,,,,,0.0,0.0,,,,,
Cc1ccc(-c2[nH]nc3c2C(c2ccoc2)C(C#N)=C(N)O3)cc1C,CID2961970,,,,,,,,,0.0,0.0,,,,,,,
COc1ccc(-c2[nH]nc3c2C(c2ccoc2)C(C#N)=C(N)O3)cc1,CID3156534,,,,,,,,,0.0,,,,,,,,
COc1cc(C2C(C(C)=O)=C(O)C(=O)N2c2ccc(Br)cn2)ccc1O,CID660915,0.0,,,,,,0.0,,,,,,,,0.0,,0.0
COc1ccc(C2C(C(C)=O)=C(O)C(=O)N2c2ccc(Br)cn2)cc1,CID2890904,,,,,,,,,,,,0.0,,,,,
CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cn2)C1c1ccccc1F,CID661918,0.0,,,,,,,,,,0.0,0.0,,,,,0.0
CCOc1cc(/C=C2\N=C3CCCCCN3C2=O)ccc1O,CID2331270,,,,,,,,,,,,,,0.0,,,
COc1cccc(/C=C2\N=C3CCCCCN3C2=O)c1,CID2331276,,,,,,,,,,,,0.0,,,,,
COc1ccc(/C=C2/N=C3CCCCCN3C2=O)cc1OC,CID2328548,,,,,,,,,,,,0.0,,,,,
COc1ccc(-n2nnc3c(=O)n(CC(=O)N4CCC(Cc5ccccc5)CC4)cnc32)cc1,CID5310212,,0.0,,,,,,,,,,,,,,,
O=C(Cn1cnc2c(nnn2-c2ccccc2)c1=O)N1CCC(Cc2ccccc2)CC1,CID5310015,,0.0,,,,,,,,,,,0.0,,,,
COc1cccc(-n2nnc3c(=O)n(CC(=O)N4CCC(Cc5ccccc5)CC4)cnc32)c1,CID3238353,,,0.0,,,,0.0,,,0.0,,0.0,,,,,
CCc1nnc(NC(=O)CSc2nnc(-c3ccncc3)n2C)s1,CID3149084,,,,,,,,,,,0.0,,,,,,
COCCn1c(SCC(=O)Nc2nnc(C)s2)nnc1-c1ccncc1,CID648687,,0.0,,0.0,0.0,,,,,,,,,,,0.0,0.0
CCn1c(SCC(=O)Nc2nnc(C)s2)nnc1-c1ccncc1,CID651024,,0.0,,,0.0,,,,,,,,,,,0.0,0.0
O=c1cc(CN2CCN(c3ccc(F)cc3)CC2)c2cc3c(cc2o1)CCCC3,CID4254447,,,,,,,,,,,0.0,,,,0.0,,
COc1ccc(N2CCN(Cc3cc(=O)oc4cc5c(cc34)CCCC5)CC2)cc1,CID665432,,,,,,,0.0,0.0,0.0,,,,,,,,0.0
O=c1cc(CN2CCN(c3ccccc3F)CC2)c2cc3c(cc2o1)CCCC3,CID3706698,,,,,,,,,,,0.0,,,,,,
Cc1ccc(NC(=O)NCc2ccc3c(c2)OCO3)cc1,CID2243429,,,,,,,,,,,,0.0,,,,,
COC(=O)c1ccccc1NC(=O)NCc1ccc2c(c1)OCO2,CID971262,,,,,0.0,,,,0.0,,0.0,,,,0.0,0.0,
COc1ccccc1NC(=O)NCc1ccc2c(c1)OCO2,CID653832,,,,0.0,,,0.0,,,,,0.0,,,,,
Cc1ccc(CCNC(=O)c2nnn(-c3cc(C)cc(C)c3)c2N)cc1,CID3240061,,,,,,,,,0.0,,,0.0,,,0.0,,0.0
COc1ccc(CCNC(=O)c2nnn(-c3ccccc3OC)c2N)cc1OC,CID3241250,,,,0.0,,,,,,,,,,,,0.0,0.0
Cc1ccc(CCNC(=O)c2nnn(-c3cccc(C)c3)c2N)cc1,CID3244927,,0.0,0.0,,,,,0.0,,,,,,,,,
Cc1cccc(NC(=O)c2sc3nc(-c4ccc(F)cc4)cn3c2C)n1,CID3240065,0.0,0.0,0.0,,0.0,0.0,,0.0,,0.0,,,0.0,,0.0,0.0,
COc1ccc(-c2cn3c(C)c(C(=O)Nc4cccc(C)n4)sc3n2)cc1,CID3242860,0.0,,0.0,,,,0.0,,,,,,,,,,
Cc1cccc(NC(=O)c2sc3nc(-c4ccccc4)cn3c2C)n1,CID3240791,0.0,,,,,,,,,,,,,,,,
COc1ccc(NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1OC,CID1363715,0.0,,,0.0,,,,0.0,,,,0.0,,,,,
COc1ccc(NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1,CID1363188,0.0,,0.0,,,,0.0,0.0,,,,,,,,,0.0
COc1cccc(NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)c1,CID653541,0.0,,,,,0.0,,,,,,0.0,,,,,0.0
COc1cccc(-c2nnc(NC(=O)C3CCCCC3)o2)c1,CID5084468,0.0,,,,,,,,,,,,,,0.0,,
O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)C1CCCCC1,CID4160355,0.0,,,,,,0.0,,,,,,,,,0.0,
O=C(Nc1nnc(-c2ccccc2)o1)C1CCCCC1,CID3667318,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(CC(=O)C2C(=O)CCCC2=O)cc1OCC,CID714521,,,,,,,0.0,,0.0,,,,,0.0,,,
CCOc1ccc(CC(=O)C2C(=O)CC(C)(C)CC2=O)cc1OCC,CID1263829,,,,,,,,,,,,,,,0.0,,
CC1(C)CC(=O)C(C(=O)Cc2ccccc2[N+](=O)[O-])C(=O)C1,CID914897,,,,,,,,,,,,,,,0.0,,
CCN1CCc2c(C#N)c(NCc3ccccc3)nc(N(CC)CC)c2C1,CID630595,,,0.0,,,,,0.0,,,,,,,,,
C=CCNc1nc(NCc2ccccc2)c(C#N)c2c1CN(C)CC2,CID564006,,,,,,,,,0.0,,0.0,,,,,,
CCN1CCc2c(C#N)c(NCc3ccccc3)nc(NCCO)c2C1,CID658662,,0.0,0.0,,,,,,0.0,0.0,,,,,,,
COCCn1nnnc1C(c1ccccn1)N1CCN(c2cccc(C)c2C)CC1,CID3229220,,,,,,,,,,0.0,,,,,,,
CCC(C)(C)n1nnnc1C(c1ccccn1)N1CCN(c2cccc(OC)c2)CC1,CID3229226,,,,,,,,,,,0.0,,,,,,
COc1cccc(N2CCN(C(c3ccccn3)c3nnnn3C(C)(C)C)CC2)c1,CID3229225,,,,,,,,,,0.0,,0.0,,,,,
COc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc4c(c3)Cc3ccccc3-4)C2=O)c1,CID7372701,,,,,,,,,,,,,,,0.0,,
COc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc3c(c2)Cc2ccccc2-3)C1=O,CID1559635,,,,,,,,,,,,,,0.0,,,
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc2c(c1)Cc1ccccc1-2,CID1909040,,,,,,,,,,,,,,0.0,0.0,,
O=C/C(=C\Nc1ccccn1)c1nc2ccccc2o1,CID2249389,,,,,,,,,0.0,,,,,,0.0,,
O=C/C(=C\Nc1ccc(Cl)cn1)c1nc2ccccc2o1,CID2248209,,,,,,,,,,0.0,,,,,,,
O=C/C(=C\Nc1ccccn1)c1nc2cc(Cl)ccc2o1,CID836595,,,,,,,,,,0.0,,,,,0.0,,
CC1=CC=CC2=NC(=O)CC(C)(C(=O)N(CC(=O)NC(C)C)C3CCCC3)N12,CID652881,,,,,,,,0.0,0.0,,,,,,,,
CC(C)(C)NC(=O)CN(C(=O)C1(C)CC(=O)N=C2C=CC=CN21)C1CCCC1,CID649542,,,,,,,,,,,,,,,,,0.0
CC1=CC2=NC(=O)CC(C)(C(=O)N(CC(=O)NC(C)(C)C)C3CCCC3)N2C=C1,CID652145,,,0.0,,,,0.0,0.0,,,,,,,,,0.0
COc1ccc(CCNC(=O)CN2CCC(n3nnc4cc(F)ccc43)CC2)cc1OC,CID646800,,,0.0,,,0.0,,,,,,,,,,0.0,0.0
O=C(CN1CCC(n2nnc3cc(F)ccc32)CC1)NCCc1ccccc1,CID3229072,,,,,,,,,,,,0.0,,,,,
Cc1ccc2c(c1)nnn2C1CCN(CC(=O)NCCc2ccccc2)CC1,CID645287,,,,,,,,,,,,,0.0,,,,
Cc1ccccc1C(=O)Oc1cccc(Nc2ncnc3ccccc23)c1,CID1187612,,,,,,,,,,,,0.0,,,,,
O=C(Oc1cccc(Nc2ncnc3ccccc23)c1)c1ccccc1Cl,CID1187613,,,,,,,,,,,,,,,0.0,,
COc1cc(C(=O)Oc2cccc(Nc3ncnc4ccccc34)c2)cc(OC)c1OC,CID1162385,,,,,,0.0,,,,,,0.0,,,,,
Cn1c(=O)c2c(ncn2CC(O)CNc2ccc(Cl)cc2)n(C)c1=O,CID2950788,0.0,0.0,0.0,,,,,,,,,,,,,,
Cn1c(=O)c2c(ncn2CC(O)CNc2ccc(Br)cc2)n(C)c1=O,CID2951284,0.0,,,,,,,,,,,,,,,0.0,
Cc1cccc(NCC(O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1,CID2949690,,0.0,0.0,0.0,,,0.0,,,,,,0.0,,,,0.0
CC(=O)c1nn(-c2cccc(Br)c2)cc1C(=O)c1ccco1,CID1214646,,,,,,,,,0.0,,,,,,0.0,,
CC(=O)c1nn(-c2cccc(Cl)c2)cc1C(=O)c1ccco1,CID565311,,,0.0,,,,,,,0.0,,,,,0.0,1.0,0.0
CC(=O)c1nn(-c2ccc(Br)cc2)cc1C(=O)c1ccco1,CID1214654,,,,,,,,,0.0,,0.0,0.0,,,0.0,,
CCCCN(CCCNC(=O)c1c(C)cc(=O)oc1C)c1ccccc1,CID3235619,,,,,,,,,0.0,,,0.0,,,,,
CCN(CCCNC(=O)c1c(C)cc(=O)oc1C)c1cccc(C)c1,CID3244834,,,,,0.0,,,0.0,,,,,,,,,1.0
CCN(CCCNC(=O)c1c(C)cc(=O)oc1C)c1ccccc1,CID3243334,,,0.0,,0.0,,0.0,,0.0,,,,,,,,
Cn1c2c(c(=O)n(C)c1=O)C(CC(=O)Nc1ccc(F)cc1)C(=O)N2,CID3720476,,,,,,,,,,,,,,,0.0,,
COc1ccccc1NC(=O)CC1C(=O)Nc2c1c(=O)n(C)c(=O)n2C,CID666583,,0.0,,,,,,0.0,0.0,,,,,,,,
Cn1c2c(c(=O)n(C)c1=O)C(CC(=O)Nc1ccccc1)C(=O)N2,CID666357,,,,,,,,0.0,,,,,0.0,,,,
CCOc1ccc(N(CC(=O)Nc2ccc3c(c2)OCCO3)S(=O)(=O)c2c(C)noc2C)cc1,CID5309870,,,,,,,,,,,0.0,,,,,,
Cc1ccc(N(CC(=O)Nc2ccc3c(c2)OCCO3)S(=O)(=O)c2c(C)noc2C)cc1,CID3242472,,,,0.0,0.0,,,0.0,,,0.0,,,,,0.0,
COc1ccc(N(CC(=O)Nc2ccc3c(c2)OCCO3)S(=O)(=O)c2c(C)noc2C)cc1,CID3236223,,,0.0,,0.0,,,,,,0.0,,,,,,
O=C(CN(CCc1ccccc1)C(=O)CNS(=O)(=O)c1ccc(F)cc1)NCc1ccco1,CID646294,,,,,0.0,,,,,0.0,0.0,,,0.0,,,
Cc1ccc(S(=O)(=O)NCC(=O)N(CCc2ccccc2)CC(=O)NCc2ccco2)cc1,CID655047,,,0.0,,0.0,0.0,,0.0,0.0,,0.0,,0.0,,,,0.0
O=C(CN(CCc1ccccc1)C(=O)CNS(=O)(=O)c1ccccc1)NCc1ccco1,CID653047,,0.0,,,0.0,,,,0.0,,0.0,,,,,,0.0
CCCc1nnc2n1N=C(c1ccc(-c3cc(Cl)ccc3Cl)o1)CS2,CID2997934,,,,,0.0,,,,,,,,,,,,
CCc1nnc2n1N=C(c1ccc(-c3ccc(Cl)cc3Cl)o1)CS2,CID3240177,,,,,0.0,,,,,,,,,,,,
CCc1nnc2n1N=C(c1ccc(-c3cc(Cl)ccc3Cl)o1)CS2,CID2999372,,,,,0.0,,0.0,,,,,,,,,,
Cc1ccc(Cl)cc1N1CCN(C(=O)CN(C2CCCCC2)S(C)(=O)=O)CC1,CID1021987,,,,,,,,,,,0.0,0.0,,,,,
CS(=O)(=O)N(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)C1CCCCC1,CID1021986,0.0,0.0,0.0,,0.0,,,,,0.0,,,,,,,0.0
CS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)C1CCCCC1,CID1021983,,0.0,,,,,,,,,,,0.0,,,,
Cc1ccc(Cl)cc1N1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1,CID1005883,,,,,,,,,,,,,,,0.0,,
CCS(=O)(=O)N1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1,CID3236567,,,,,,,,0.0,,,,,,,,,0.0
CS(=O)(=O)N1CCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1,CID1082609,,,,,,,,,,,,,,0.0,,,
O=C(C#Cc1cccc([N+](=O)[O-])c1)c1ccccc1,CID1211724,,,,,,,,,0.0,,,,,,,,
O=C(C#Cc1ccccc1)c1cccc([N+](=O)[O-])c1,CID781112,,,,,,,,,0.0,,,,,,,,
O=C(C#Cc1ccccc1)c1ccc([N+](=O)[O-])cc1,CID891179,,,,,,0.0,,,0.0,,,,,0.0,,,
CCCc1cc(C(=O)Nc2cc(C)nn2-c2ccccc2)no1,CID5307142,0.0,,,,,0.0,0.0,0.0,,,,,,,,,
Cc1cc(NC(=O)c2cc(C)on2)n(-c2ccccc2)n1,CID3240282,,0.0,,0.0,,,,0.0,,,,,,,,,
Cc1cc(NC(=O)c2cc(CC(C)C)on2)n(-c2ccccc2)n1,CID5308509,0.0,,,,,,0.0,0.0,,,,,,,,,
CC1=CN2C(=NC(=O)CC2(C)C(=O)N(CC(=O)NC2CCCC2)c2cc(C)cc(C)c2)C=C1,CID3224116,,,,,,,,,,,,,,,0.0,,
CC1=CC=CC2=NC(=O)CC(C)(C(=O)N(CC(=O)NC3CCCC3)c3ccccc3C)N12,CID3224857,,,,,,,,,0.0,,,0.0,,,,,
Cc1ccccc1N(CC(=O)NC1CCCC1)C(=O)C1(C)CC(=O)N=C2C=CC=CN21,CID3224155,,,,,,,,,,,,0.0,,,,,
CC1(C)CC(=O)C=C(NCCN2CCN(C(=O)Nc3ccccc3)CC2)C1,CID647329,0.0,,,,,,,,0.0,,,,,,,,0.0
CC1(C)CC(=O)C=C(NCCN2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)C1,CID1080913,0.0,,,,,,,,,,0.0,,0.0,,,0.0,
CC1(C)CC(=O)C=C(NCCN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1,CID1366369,0.0,,,,,,,,,,,,0.0,,,,
CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)NCc1ccccc1,CID656319,0.0,0.0,,,,,,,,,,,,,,0.0,
CCn1c(CNc2ccccc2Cl)nnc1SCC(=O)NCc1ccccc1,CID646854,0.0,0.0,,,0.0,,,,,,,0.0,,,,,
CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NCc1ccccc1,CID647807,,0.0,0.0,0.0,0.0,,,,,0.0,0.0,0.0,,,,,
CCCCc1c(O)nc(SCC(=O)N2CCOCC2)[nH]c1=O,CID656316,,0.0,,,,,0.0,0.0,0.0,,,0.0,,,,0.0,
CC(C)c1c(O)nc(SCC(=O)N2CCOCC2)[nH]c1=O,CID1073918,,,,,,,,,,0.0,,,,,,,
CCC(C)c1c(O)nc(SCC(=O)N2CCOCC2)[nH]c1=O,CID3349056,0.0,0.0,,,,,,,,,,,0.0,,,,
O=C(CC1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1ccco1,CID2916185,,,,0.0,,,,,,,0.0,,,,,0.0,0.0
Cc1ccc(C(=O)CC2(O)C(=O)N(Cc3ccccc3Cl)c3ccccc32)o1,CID2945791,,0.0,,,,,,,,,,,0.0,,,0.0,0.0
Cc1ccc(C(=O)CC2(O)C(=O)N(Cc3ccccc3)c3ccccc32)o1,CID2945500,,,,,,,0.0,,,0.0,,,,,0.0,,
O=C(Cn1c(NCCO)nc2ccccc21)c1ccccc1,CID2850100,,0.0,,,,,,0.0,0.0,,,,0.0,,,0.0,
O=C(Cn1c(C(F)(F)F)nc2ccccc21)c1ccc(Cl)cc1,CID876566,,,,,,,,,,,,,,0.0,,,
O=C(Cn1cnc2ccccc21)c1ccc(Br)cc1,CID2772687,,,,,,,,,,,,,,,0.0,,
O=S(=O)(c1ccccc1)N1CCN(C(=S)NCc2ccccc2)CC1,CID2443926,,,,,,,,,,,,,,0.0,0.0,,
O=S(=O)(c1cccc(F)c1)N1CCN(C(=S)NCc2ccccc2)CC1,CID2443327,,,,,,,,,,,,,,0.0,,,
O=S(=O)(c1ccc(F)cc1)N1CCN(C(=S)NCc2ccccc2)CC1,CID2442071,,,,,,,,,,,,,,0.0,,,
Cc1nnc(NC(=O)Oc2ccccc2)s1,CID644678,,0.0,,0.0,,,,,,0.0,0.0,0.0,,,,,
O=C(Nc1nncs1)Oc1ccccc1,CID875112,,0.0,,0.0,,,,0.0,,0.0,0.0,0.0,0.0,,,,0.0
CCC(CC)c1nnc(NC(=O)Oc2ccccc2)s1,CID735090,,,,,,,,,,0.0,0.0,,,,,,
CC(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1cccs1,CID644675,,,,,0.0,0.0,,,0.0,,,,0.0,,,,
CCCC(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1cccs1,CID3235892,,,,,0.0,,,,,,,,,,,,
CC(C)C(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1cccs1,CID3241610,,,,,0.0,0.0,0.0,,0.0,,,,,,,,
CCOC(=O)CSc1nnnn1-c1cccc2ccccc12,CID1260000,,0.0,,,,,,,0.0,0.0,,,0.0,,,,
c1ccc2c(-n3cnnn3)cccc2c1,CID645672,,0.0,,,,0.0,,0.0,,,,0.0,,,,,
COC(=O)CSc1nnnn1-c1cccc2ccccc12,CID1249414,,0.0,,,,,0.0,0.0,0.0,0.0,0.0,,0.0,,,0.0,
CCOC(=O)CSc1nc2c(sc3ccccc32)c(=O)n1CCCN1CCOCC1,CID3243922,,,,0.0,0.0,,,,,,,,,,,,
NC(=O)CSc1nc2c(sc3ccccc32)c(=O)n1CCCN1CCOCC1,CID3237968,,,,,,0.0,,,0.0,,0.0,,,,,,
CCC(C)NC(=O)CSc1nc2c(sc3ccccc32)c(=O)n1CCCN1CCOCC1,CID3635103,,,,,,0.0,,,,,,,,,,,
Cc1cc(Nc2ccccc2)n(C(=O)c2ccc(N)cc2)n1,CID867947,,,,,,,0.0,0.0,,,,0.0,,,,0.0,
COc1ccc(C(=O)n2nc(C)cc2Nc2ccccc2)cc1,CID867969,,,,,,,,,,,0.0,,,,,,
Cc1cc(Nc2ccccc2)n(C(=O)c2ccccc2)n1,CID867801,,,,,,,,,,,,0.0,,,,,
CCN(CC)CCCN1CC(=O)C(c2nc3ccccc3s2)=C1N,CID2544678,,,,,,,,,,0.0,0.0,,,,,,
CCCCN1CC(=O)C(c2nc3ccccc3s2)=C1N,CID648770,,,,0.0,,,,,,,,,,,,,
NC1=C(c2nc3ccccc3s2)C(=O)CN1CCCO,CID2338541,,,,0.0,,,,,,,,,,,0.0,0.0,
CCCc1nnc(NC(=O)C(C)N2C(=O)C3C4C=CC(C4)C3C2=O)s1,CID3239113,,,,0.0,,,,,,,,,,,,,
CC(C)(C)c1nnc(NC(=O)CN2C(=O)C3C4C=CC(C4)C3C2=O)s1,CID3241757,,,,,,,,,,,,,,,0.0,,
CCc1nnc(NC(=O)C(C)N2C(=O)C3C4C=CC(C4)C3C2=O)s1,CID3239281,,,,,,,,,,,,,0.0,,,,
CCC(C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(C)cc2)n1)C1CCCC1,CID3179889,,,,,,,,,,0.0,,0.0,,,,,
COc1ccc(-c2nnn(CC(=O)N(C3CCCC3)C(C)C(=O)NC3CCCC3)n2)cc1OC,CID649690,,,0.0,,,,,,,0.0,,,,,,,0.0
O=C(CN(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)C1CCCC1)NC1CCCC1,CID646964,,,,0.0,,,,,,,,,,,0.0,,0.0
COc1ccc(-c2csc(N(CC3CCCO3)C(=O)c3ccco3)n2)cc1,CID649020,,,0.0,,,,,,,0.0,0.0,,,,,,
Cc1ccc(-c2csc(N(CC3CCCO3)C(=O)c3ccco3)n2)cc1,CID648656,,,,,,,0.0,0.0,,,,,0.0,,,,
O=C(c1ccco1)N(CC1CCCO1)c1nc(-c2ccccc2)cs1,CID647248,,,,,,0.0,,0.0,,,,,,,,,
Cc1nnc(NC2=NCCC2)s1,CID2123302,,,0.0,0.0,,,,,,,,,,,,,
c1nnc(NC2=NCCC2)s1,CID2123294,,,,,,,,,,,,,,0.0,,,
CCc1nnc(NC2=NCCC2)s1,CID2123282,,0.0,,0.0,,,,,,0.0,,,0.0,,,,
C/C(=N\NC(=O)c1ccc(C)cc1)C1C(=O)c2ccccc2C1=O,CID3112324,,,,,,,,,,0.0,,,,,,,
C/C(=N\NC(=O)c1cccc(Cl)c1)C1C(=O)c2ccccc2C1=O,CID772691,,,,,,,,,,,,,,0.0,,,
C/C(=N\NC(=O)c1ccc(Br)cc1)C1C(=O)c2ccccc2C1=O,CID1165566,,,,,,,,,,,,0.0,,,,,
Cc1cccc(-c2nc(CS(=O)CC(=O)NC3CCCC3)c(C)o2)c1,CID5308425,0.0,0.0,,,,0.0,,,,,0.0,,,,,,
COc1cccc(-c2nc(CS(=O)CC(=O)NC3CCCC3)c(C)o2)c1,CID5307640,,0.0,,,,0.0,,,,,,,,,,0.0,
Cc1ccc(-c2nc(CS(=O)CC(=O)NC3CCCC3)c(C)o2)cc1,CID5308669,0.0,0.0,0.0,,,0.0,,0.0,,,,,,,,,
CCSc1nnc(NC(=O)c2ccc3c(c2)OCO3)s1,CID673545,0.0,0.0,0.0,,0.0,,,,0.0,,,,,0.0,,,
COCCSc1nnc(NC(=O)c2ccc3c(c2)OCO3)s1,CID2218611,,,,,,,,,,,,,,,0.0,,
Cc1nnc(N(C)C(=O)c2ccc3c(c2)OCO3)s1,CID1447082,,,,,,,,,,,,,,,0.0,,
Cc1cc(-n2c(C)cc(C(=O)COc3ccc([N+](=O)[O-])cc3)c2C)no1,CID2632408,,,,,,,,,,,,,,0.0,,,
Cc1cc(-n2c(C)cc(C(=O)COc3ccccc3[N+](=O)[O-])c2C)no1,CID2500635,,,,,,,,,,,,,,0.0,,,
CC(=O)c1cccc(OCC(=O)c2cc(C)n(-c3cc(C)on3)c2C)c1,CID2536348,0.0,,0.0,,,,0.0,,0.0,,,,0.0,0.0,,,
COc1ccc(NC(=O)N(Cc2ccc3c(c2)OCO3)C2CC(=O)N(c3ccc(OC)cc3)C2=O)cc1,CID2960000,,,,,,,,,0.0,,,,,,,,
O=C1CC(N(Cc2ccc3c(c2)OCO3)C(=O)Nc2ccc(F)cc2)C(=O)N1c1ccccc1,CID2959197,0.0,0.0,0.0,,,,,,,,,,,,,,
CCOC(=O)c1ccc(N2C(=O)CC(N(Cc3ccc4c(c3)OCO4)C(=O)Nc3ccccc3)C2=O)cc1,CID2962720,,,,,,,,,0.0,,,,,,,,
O=C(NC(=S)Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1ccco1,CID1367298,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccco4)ccc3o2)cc1,CID1851279,,,,,,0.0,,,,,,,,,,,
COc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccco4)ccc3o2)cc1OC,CID3791969,,,,,,0.0,,,,,,,,,,,
O=C(Cc1ccc(Cl)cc1)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1,CID1339819,,,,,0.0,,,,,,0.0,0.0,0.0,,,0.0,0.0
COc1ccccc1CC(=O)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1,CID1339710,,,,,,,,,0.0,,0.0,0.0,,0.0,,,0.0
O=C(Cc1ccccc1)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1,CID707381,0.0,,0.0,0.0,,0.0,0.0,,,,,,,,,,0.0
O=c1sc2ccccc2n1COc1ccccc1,CID677530,,,,,0.0,0.0,0.0,,,0.0,,,0.0,,,,
Cc1ccc(OCn2c(=O)sc3ccccc32)cc1,CID779841,,,,0.0,0.0,,0.0,,,,,,,,,,
O=c1sc2ccccc2n1COc1ccc(Cl)cc1,CID779738,,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1cn2nc(-c3ccc(OC)cc3)cc2nc1C1CCN(C(=O)OC(C)(C)C)CC1,CID6622826,,,,,,,,,,0.0,,,,,,,
CCOc1ccc(-c2cc3nc(C4CCN(C(=O)OC(C)(C)C)CC4)c(C(=O)O)cn3n2)cc1,CID3240308,,,,,,0.0,,,,,,0.0,,,,,
COc1ccc(-c2cc3nc(C4CCN(C(=O)OC(C)(C)C)CC4)c(C(=O)O)cn3n2)cc1,CID3240935,0.0,,,,,,,,,,,,,,,,0.0
CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)oc3ccccc34)n2C)cc1,CID3645365,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)oc3ccccc34)n2C)c(Cl)c1,CID2961561,,,,,,0.0,,,,0.0,0.0,0.0,,,,,
Cn1c(SCC(=O)Nc2ccc3c(c2)oc2ccccc23)nnc1-c1ccccc1,CID2193118,0.0,,0.0,,0.0,,0.0,0.0,,,,,0.0,,0.0,,0.0
COc1ccc(C(=O)N2CCC(N3CCN(c4ccccc4)CC3)CC2)cc1OC,CID660895,0.0,,,,,,,0.0,,0.0,,,,,,,0.0
COc1ccccc1N1CCN(C2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)CC1,CID660527,0.0,0.0,0.0,,,,,,0.0,,,,,,,,
COc1cc(OC)cc(C(=O)N2CCC(N3CCN(c4ccccc4)CC3)CC2)c1,CID660692,0.0,0.0,,,,,,,,0.0,,,,,0.0,,0.0
O=C(NCc1ccccn1)c1coc(=O)c(Br)c1,CID662038,0.0,,,,,,,,,,,,,,0.0,0.0,0.0
Cc1cc(=O)oc(C)c1C(=O)NCc1ccccn1,CID3240023,,,,,,,,0.0,,,,,,,0.0,,
O=C(NCc1ccccn1)c1ccc(=O)oc1,CID663113,,,,0.0,,,,,,,,,,,,,0.0
CC(=O)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1,CID821545,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)cc(N(CCC(=O)O)S(=O)(=O)c2ccc3ccccc3c2)c1,CID2432659,,,,,,,,,,,,,,,0.0,,
CC(=O)Nc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1,CID726555,,,,,,,,,0.0,,0.0,,,,,,
COc1ccc(OCCNC(=O)C(c2ccccc2)c2ccccc2)cc1,CID1964312,,,,,,,,,,,,0.0,,0.0,,,
O=C(NCCOc1ccccc1Cl)C(c1ccccc1)c1ccccc1,CID1937420,,,,,,0.0,,,,,,,,,,,
O=C(NCCOc1ccccc1)C(c1ccccc1)c1ccccc1,CID1839686,,,,,,,,,,,,0.0,,,,,
O=C(Nc1nnc(-c2ccccc2Cl)o1)c1nc2ccccc2s1,CID4260390,,,,,,,,,,,0.0,,,,,,
O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1nc2ccccc2s1,CID4252281,,,,,,,,,,,,0.0,,,,,
O=C(Nc1nnc(-c2ccccc2)o1)c1nc2ccccc2s1,CID4121843,0.0,0.0,,,,,,,,,,,,,,0.0,
CC(C)CN1C(=S)SC(C)(C)C1n1oc(=O)n(-c2ccc(Cl)cc2)c1=O,CID2829501,,,,,,,,,0.0,,,,,0.0,0.0,,
CC(C)CN1C(=S)SC(C)(C)C1n1oc(=O)n(-c2ccccc2)c1=O,CID2829502,,,,,,,,,,,,,,0.0,0.0,,
CC(C)N1C(=S)SC(C)(C)C1n1oc(=O)n(-c2cccc(Cl)c2)c1=O,CID3467285,,,,,,,,,,,,,,,0.0,,
COc1ccc(-c2nc(-c3ccc(NC(=O)c4ccncc4)cc3)no2)cc1OC,CID4457834,,,,,,,,,,,,,0.0,,,,
COc1ccc(Cl)cc1-c1nc(-c2ccc(NC(=O)c3ccncc3)cc2)no1,CID1291756,0.0,,0.0,,0.0,,,,,,,,,,,,0.0
COc1cccc(-c2nc(-c3ccc(NC(=O)c4ccncc4)cc3)no2)c1,CID1292479,,,,,,0.0,,,,0.0,0.0,0.0,,,0.0,,
Clc1ccc(CSc2ncn(-c3ccccc3)n2)cc1,CID1778827,,,,,,,,,,,0.0,0.0,,,,,
Clc1cccc(CSc2ncn(-c3ccccc3)n2)c1,CID1778831,,,,,,,,,,,,,,,0.0,,
c1ccc(CSc2ncn(-c3ccccc3)n2)cc1,CID772049,,,,0.0,,,,,,,,,0.0,,,,0.0
NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1,CID776898,,,,,,,,,,,0.0,,,,,,
CCN(CC)C(=S)SCC(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1,CID1968717,,,,,,,,,,,,,,,0.0,,
CN(C)C(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1,CID969610,,,,,,,,,,,,,,0.0,,,
COc1cccc(N2C(=O)CC(N3CCN(S(=O)(=O)c4ccccc4)CC3)C2=O)c1,CID3237023,,,,,,,0.0,,,0.0,,,,,,,0.0
CCCOc1ccc(N2C(=O)CC(N3CCN(S(=O)(=O)c4ccccc4)CC3)C2=O)cc1,CID3109128,,,,,,,,,,,0.0,,,,,,
COc1ccc(N2C(=O)CC(N3CCN(S(=O)(=O)c4c(F)cccc4F)CC3)C2=O)cc1OC,CID2998020,,,,,0.0,,,,,,,0.0,,,,,0.0
CC(=O)c1c(C(C)=O)c(C)n(C2CCCCC2)c1C,CID804484,,,,,,,,,0.0,,0.0,,,0.0,,,
Cc1cc(/C=N/NC(N)=O)c(C)n1C1CCCCC1,CID919721,,,,,,,,,,,,,,,0.0,,
Cc1cc(C=O)c(C)n1C1CCCCC1,CID880072,,,,,,0.0,,,0.0,0.0,,,,,,,
Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2-c2ccccc2)n1C,CID2090174,0.0,,,,0.0,,,,,,,,,,,,
CCCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccoc1C,CID652579,0.0,,,,0.0,0.0,,,,,,,,,0.0,,
CCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccoc1C,CID654233,,,,,0.0,0.0,0.0,0.0,0.0,,0.0,,,,,,0.0
COc1cccc(NC(=O)CSc2nc3c(c(-c4ccco4)c2C#N)CCCC3)c1,CID660061,0.0,,0.0,,,,,,,,,,,,0.0,0.0,0.0
Cc1ccccc1NC(=O)CSc1nc2c(c(-c3ccco3)c1C#N)CCCC2,CID660052,0.0,,0.0,0.0,,,,,,,,,,,,0.0,
CCc1ccccc1NC(=O)CSc1nc2c(c(-c3ccco3)c1C#N)CCCC2,CID659886,0.0,,0.0,0.0,0.0,,,,,,,,,,,,
Cc1ccc(Oc2nc3ccccc3n3c(C)nnc23)cc1,CID660063,,,,,,0.0,0.0,,,,,0.0,0.0,,,,0.0
COC(=O)c1ccc(Oc2nc3ccccc3n3c(C)nnc23)cc1,CID661446,,0.0,0.0,,,,,0.0,0.0,,,,,,,,
Cc1nnc2c(Oc3ccccc3)nc3ccccc3n12,CID1415680,,,,,,0.0,,,,,,0.0,,,,,
O=C(c1ccccc1)N(Cc1ccc2c(c1)OCO2)Cc1nc(=O)c2ccccc2[nH]1,CID649797,0.0,0.0,,,0.0,,,0.0,0.0,0.0,,0.0,0.0,,,,
COc1cccc(C(=O)N(Cc2ccc3c(c2)OCO3)Cc2nc(=O)c3ccccc3[nH]2)c1,CID650139,,,0.0,,0.0,0.0,,,0.0,,,0.0,,,,,
Cc1ccc(C(=O)N(Cc2ccc3c(c2)OCO3)Cc2nc(=O)c3ccccc3[nH]2)cc1,CID1453329,,,,,,0.0,,,0.0,,,0.0,,,,,
COc1ccccc1-n1cnc2cc(NC(=O)c3ccco3)ccc21,CID2030299,,,,,,,,,,,0.0,,,,,,
O=C(Nc1ccc2c(c1)ncn2-c1ccccc1)c1ccco1,CID828714,,,0.0,0.0,,,0.0,,,,,0.0,,,0.0,,
COc1ccc(-n2cnc3cc(NC(=O)c4ccco4)ccc32)cc1,CID1862031,,,,,,,,,,,0.0,0.0,,,,,
Cc1c(C(=O)NCc2ccc3c(c2)OCO3)sc2nc(-c3ccccc3)cn12,CID5310146,,,0.0,,,,,,,,,,,,,,
Cc1c(C(=O)NCc2ccc3c(c2)OCO3)sc2nc(-c3ccc(F)cc3)cn12,CID5310080,,,,,,,,0.0,,,,,0.0,,,,
COc1ccc(-c2cn3c(C)c(C(=O)NCc4ccc5c(c4)OCO5)sc3n2)cc1,CID5310148,,,0.0,,,,,0.0,,,,,,,,,
COCc1cc(C)nc(SCC(=O)Nc2cc3c(cc2C#N)OCO3)c1C#N,CID1267226,,0.0,,,,,0.0,,0.0,,0.0,,,,,,0.0
Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccc3c(c2)OCO3)n1,CID1537239,,,,,,,,,0.0,,0.0,,,,,,
COCc1cc(C)nc(SCC(=O)Nc2ccc3c(c2)OCO3)c1C#N,CID1088698,,,,,,,,0.0,0.0,,,,,,,,0.0
CCn1c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nc2sc(C)c(C)c2c1=O,CID2492038,,,,0.0,,0.0,,,0.0,0.0,,,,,,,0.0
C=CCn1c(SCC(=O)c2c(N)n(CCC)c(=O)n(C)c2=O)nc2sc(CC)cc2c1=O,CID2566800,,,,,,,,,0.0,,,,,,,,
C=CCn1c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nc2sc(C)c(C)c2c1=O,CID2375130,,,,,,0.0,,,,,,,,,,,
CC1CCc2cc(F)cc3c(=O)c(C(=O)O)cn1c23,CID3374,,,,,,,,0.0,,,,,,,,,
CCCCCCNC(=O)c1c(O)n2c3c(cccc3c1=O)CCC2,CID652794,,,,0.0,,,,,,,,0.0,,,,0.0,
CCCCNC(=O)c1c(O)n2c3c(cccc3c1=O)CCC2,CID1789108,0.0,,,,,,,0.0,,,,,,,,,
COc1ccc(CN(C(=O)CSc2nnc(-c3ccccc3F)o2)c2ccc(F)cc2)cc1,CID652699,0.0,,,,0.0,,,0.0,,,,,,,,,0.0
COc1ccc(CN(C(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)o2)c2ccc(F)cc2)cc1,CID1139663,,,,,,,,,,,,0.0,,,,,
COc1ccc(CN(C(=O)CSc2nnc(-c3ccc(F)cc3)o2)c2ccc(F)cc2)cc1,CID655556,0.0,,,,0.0,,,,,,,,,,,,
O=C(CSc1nc2ccccc2[nH]1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1,CID2234072,,,,,0.0,,0.0,,,0.0,,,,,,,0.0
O=C(CSc1nc2ccccc2[nH]1)Nc1ccccc1N1CCOCC1,CID2202302,0.0,0.0,,,0.0,,,,,,,,0.0,,,,0.0
Cc1ccc2nc(SCC(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)[nH]c2c1,CID2571537,,,,,,,,,,0.0,,,,,,,
Cc1cccc2c(=O)c(C(=O)N3CCCCCC3)c[nH]c12,CID652691,,,,,0.0,,,,,,,,,0.0,,,0.0
CCc1cccc2c(=O)c(C(=O)N3CCCCCC3)c[nH]c12,CID647559,0.0,,0.0,,0.0,,,,,0.0,,,0.0,0.0,,,
CCc1ccc2[nH]cc(C(=O)N3CCCCCC3)c(=O)c2c1,CID648824,0.0,,,,0.0,0.0,,,,,,0.0,,,,,0.0
O=C(CSc1ccccc1C(=O)O)NCc1ccc(Cl)cc1,CID901321,,,,,,,,,,,,,,0.0,,,
COc1ccc(CNC(=O)CSc2ccc(Br)cc2)cc1OC,CID2561557,,,,,,,,,,,,,,0.0,0.0,,
CCN(Cc1ccccc1)C(=O)CSc1ccccc1C(=O)O,CID2361989,,,,,,,,,,,,,,0.0,0.0,,
CCOc1ccc(/C=C2/C(=O)N(c3ccc(OC)cc3)C(=S)N2CC(=O)OC)cc1OCC,CID1004023,,,,,,,,,,0.0,,,,,,,
COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(OC)cc1,CID1305669,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)OC)N(CC(=O)OC)C2=S)cc1,CID5737786,,,,,,,,,,,,,,0.0,,,
CCOC(=O)CN1C(=O)C(Sc2n[nH]c(-c3cccc(C)c3)n2)CCc2ccccc21,CID5102112,,,,,,,,,,,,0.0,,,,,
CC(C)(C)OC(=O)CN1C(=O)C(Sc2n[nH]c(-c3ccccc3)n2)CCc2ccccc21,CID4668494,,,,,,0.0,,,,,,,,,,,
CCOC(=O)CN1C(=O)C(Sc2n[nH]c(-c3ccccc3)n2)CCc2ccccc21,CID5083250,,,,,,0.0,,,,,,,,,,,
Cc1cc(C)c(NC(=O)CSc2nc(COc3ccccc3)nc3ccccc23)c(C)c1,CID3221516,,,,,,0.0,,,,,,,,,,,
Cc1ccccc1NC(=O)CSc1nc(COc2ccccc2)nc2ccccc12,CID1451386,,,,,,,,,,,,,,,0.0,,
Cc1cccc(C)c1NC(=O)CSc1nc(COc2ccccc2)nc2ccccc12,CID1451398,,,,,,0.0,,,,,,,,,,,
COc1ccccc1N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1,CID1297523,,,0.0,0.0,0.0,,,,,,,,,,,,0.0
O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCN(c2ccccc2)CC1,CID658855,,,0.0,,,,,,,,,,0.0,,,,0.0
CC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)C1,CID2999897,,,0.0,0.0,0.0,,,,,,,0.0,0.0,,,,
O=C(NCc1ccco1)C1CC(=O)N(c2ccc(F)cc2)C1,CID2964399,,,,0.0,,,,,,,,,,,,,
O=C(NCc1ccco1)C1CC(=O)N(c2ccc(O)cc2)C1,CID2967915,,0.0,,,0.0,,,,,0.0,,,0.0,,,,
CCc1ccc(N2CC(C(=O)NCc3ccco3)CC2=O)cc1,CID3156932,,,,,,,,,,0.0,,0.0,,,,,
O=C(O)c1n[nH]c2c1CCCCC2,CID655343,,0.0,0.0,,,,,,,,,,,,,,
O=C(O)CCCn1nc(C(F)(F)F)c2c1CCCCC2,CID654323,,,,,,,,,0.0,,,,,,,,0.0
O=C(O)Cn1nc(C(F)(F)F)c2c1CCCCC2,CID648619,,,,,,,,,0.0,,,,,,,0.0,0.0
CC(=O)Nc1nonc1NC(C)=O,CID654039,,0.0,,,,,,0.0,,,,,,,,,
CN(C)/C=N/c1nonc1N,CID660586,,,,,,,0.0,,,,,,,,,,
CCOc1nonc1C(N)=C(C(C)=O)C(C)=O,CID876292,,0.0,,,,,,,,,,,,,,,
Cc1cccc2cc(C(c3nnnn3CC3CCCO3)N3CCc4ccccc4C3)c(=O)[nH]c12,CID654033,,,,,,,,,,0.0,,,,,,,
CCOc1ccc2[nH]c(=O)c(C(c3nnnn3CC3CCCO3)N3CCc4ccccc4C3)cc2c1,CID653403,,,,,,,0.0,,,0.0,,,,,,,
COc1ccc2[nH]c(=O)c(C(c3nnnn3CC3CCCO3)N3CCc4ccccc4C3)cc2c1,CID646383,,,,,,,,,,0.0,,,,,,,
COc1ccc(CCNC(=O)CN(C)S(=O)(=O)c2cccs2)cc1OC,CID3239350,,0.0,,,0.0,,,,,,0.0,,0.0,,,0.0,
CN(CC(=O)NCCc1ccccc1)S(=O)(=O)c1cccs1,CID3242962,,,0.0,,0.0,0.0,0.0,,,,,,0.0,,,,
COc1ccc(CCNC(=O)CNS(=O)(=O)c2ccc(Br)s2)cc1OC,CID11957242,,,,,,,,,,,,,,0.0,,,
CCOC(=O)N/N=C1\CCc2ccccc21,CID1237228,,,,,,,,,,,,,,,0.0,,
NC(=O)C(=O)N/N=C1\CCc2ccccc21,CID4173671,,,,,,,,,,,,,,0.0,,,
O/N=C1\CCc2cc(Cl)ccc21,CID659697,,,,0.0,,,,,,,,,,,,,0.0
CCN(CC)c1ccc(CN(C(=O)c2ccco2)C2CCS(=O)(=O)C2)cc1,CID663573,,,,,0.0,,,0.0,,0.0,,,0.0,,,0.0,0.0
CCOc1ccc(CN(C(=O)c2ccco2)C2CCS(=O)(=O)C2)cc1,CID664302,,,,0.0,,,,0.0,0.0,0.0,0.0,,,,,0.0,
CN(C)c1ccc(CN(C(=O)c2ccco2)C2CCS(=O)(=O)C2)cc1,CID662362,,,,,,0.0,,0.0,,,0.0,,0.0,0.0,,0.0,
CC(C)n1nc(C(=O)OCC(=O)c2c[nH]c3ccccc23)c2ccccc2c1=O,CID2475651,,,,,,0.0,,,0.0,,,,,,0.0,,
CCn1nc(C(=O)OCC(=O)c2c[nH]c3ccccc23)c2ccccc2c1=O,CID2999676,,,0.0,,0.0,0.0,,0.0,0.0,,,,,,,,
CCc1cccc2c(C(=O)COC(=O)c3nn(C)c(=O)c4ccccc34)c[nH]c12,CID2085690,,,,,,,,,,,0.0,,,,,,
CCN(CC)S(=O)(=O)c1ccc(NC2c3ccccc3C(=O)N2CCN2CCOCC2)cc1,CID5307660,,,,,,,,,,,,,,,0.0,,
COC(=O)c1cc(NC2c3ccccc3C(=O)N2CCN2CCOCC2)cc(C(=O)OC)c1,CID5307810,,,,0.0,,,,,,,,0.0,,,,0.0,0.0
O=C1c2ccccc2C(Nc2ccc(F)cc2F)N1CCN1CCOCC1,CID5307475,0.0,,,,,,,,,,,,,,,,
CCOc1ccc(C(=S)NC2CCCCC2)cc1,CID1301800,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(C(=S)NC2CCCCC2)cc1OC,CID1252701,,,,,,0.0,,,,,,,,,0.0,,
CN(C)c1ccc(C(=S)NC2CCCCC2)cc1,CID972135,,,,,,,,,,,,,,0.0,,,
CCc1ccc(N/C(SCc2cccc(F)c2)=C(/C#N)C(=O)NCc2ccco2)cc1,CID3236992,,,,,,,,,,,,,,,,,0.0
Cc1ccc(CS/C(Nc2ccccc2C)=C(\C#N)C(=O)NCc2ccco2)c(C)c1,CID9550225,,,,,,,,,,0.0,,,,,,,
CCc1ccc(N/C(SCc2ccccc2C)=C(/C#N)C(=O)NCc2ccco2)cc1,CID11957268,,,,,,0.0,,,,,,,,,,,
CCSc1nc(=O)n(-c2ccccc2)c(C)c1C(C)=O,CID777084,,,,0.0,,,,0.0,,,0.0,0.0,,,0.0,,0.0
CSc1nc(=O)n(-c2ccccc2)c(C)c1C(C)=O,CID683954,,,,0.0,,0.0,,,,,,,,,0.0,,0.0
CCSc1nc(=O)n(-c2ccccc2)c(C)c1C(C)=S,CID1040019,,,,,,,,,,0.0,,,,0.0,,,
Cn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1-c1ccco1,CID1295789,,,,,,0.0,,,,,0.0,,,,,,
C=CCn1c(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)nnc1-c1ccco1,CID1264115,0.0,,,,,,,,,,,,0.0,,,,
C=CCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1-c1ccco1,CID1299766,,,,,,,,,,,0.0,,,,,,
Cc1cccc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)n1,CID1229485,,,,,,,,,,,,0.0,,0.0,0.0,,
O=C1S/C(=C\c2ccccn2)C(=O)N1Cc1ccccc1F,CID1810709,,,,,,,,,,,,,,0.0,,,
Cc1cccc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)n1,CID1229475,,,,,,0.0,,,,,,,,,,,
CCOC(=O)C1=C(c2ccccc2)N=C2SCC(=O)N2C1c1ccc(OCC)c(OCC)c1,CID2930644,,,,,,,,,,,0.0,,,,,,
CCOC(=O)C1=C(c2ccccc2)N=C2SCC(=O)N2C1c1cccc(OC)c1,CID2893538,,,,,,,,,,0.0,,,,,,,
CCOC(=O)C1=C(c2ccccc2)N=C2SCC(=O)N2C1c1ccc(OC)c(OC)c1,CID2879689,,,,,,,,,,,0.0,,,,,,
CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CCC2)C1c1ccc(N(C)C)cc1,CID3244689,,0.0,0.0,0.0,,0.0,,,,,,,0.0,,,,
CCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)C1c1ccc(N(C)C)cc1,CID3236412,,,,,0.0,0.0,,,,,,,0.0,,,,0.0
CCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)C1c1ccc(F)cc1,CID3241756,,,,,,,,0.0,,,,,,,,,
O=C1Nc2ccccc2SC(c2ccccc2)C1O,CID3242458,,0.0,,,0.0,,,0.0,,,,,,,,,
O=C1CC(c2ccc(F)cc2)Sc2ccccc2N1,CID646061,,,,,0.0,,0.0,,,0.0,,,,,,,
O=C1CC(c2ccccc2)Sc2ccccc2N1,CID389490,,0.0,,0.0,0.0,,0.0,0.0,,0.0,,,,0.0,,,
CCOC(=O)c1sc(NC(=O)/C=C/c2cnn(CC)c2C)c(C(=O)OCC)c1C,CID1001549,,,,,,0.0,,,,,,,,,,,
CCCOC(=O)c1c(NC(=O)/C=C/c2cnn(C)c2C)sc(C(=O)OCC)c1C,CID1770002,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1sc(NC(=O)/C=C/c2cnn(C)c2C)c(C(=O)OCC)c1C,CID1001189,,,,,,,,,,,,0.0,,,0.0,,
COc1ccccc1CC(=O)NNS(=O)(=O)c1ccccc1[N+](=O)[O-],CID1009776,,,,,,,,,,,,,,0.0,,,
O=C(Cc1ccccc1)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1,CID802449,,,,,,,,,,,,,,0.0,,,
COc1ccccc1CC(=O)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1,CID1009769,,,,,,,,,,,,,,0.0,,,
O=C(NCc1ccccc1)N1CCN(c2ccc(F)cc2)CC1,CID858191,,,,,,,,,,,,0.0,,,,,
O=C(NCc1ccccc1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1,CID3236712,,,,,,,0.0,,,,,,,,,,
O=C(NCc1ccccc1)N1CCN(c2ccccc2F)CC1,CID650904,,0.0,,,,,,0.0,,,,0.0,0.0,,,,
CCOC(=O)c1sc(N/N=C/c2ccccc2)nc1C,CID2789390,,,,,,,,,,,,,,,0.0,,
CC(=O)c1sc(N/N=C/c2ccc(C)cc2)nc1C,CID2787625,,,,,,,,,,,,,,,0.0,,
CC(=O)c1sc(N/N=C/c2ccc(Br)cc2)nc1C,CID2787619,,,,,,,,,,,,,,0.0,,,
O=c1c2ccccc2nc(CN2CCOCC2)n1-c1ccccc1F,CID977773,,,,,,,,,,,0.0,0.0,,,,0.0,
O=c1c2cc(Cl)cc(Cl)c2nc(CN2CCOCC2)n1-c1ccccc1F,CID2202656,0.0,,,,,,,,,,,,,,,,
O=c1c2cc([N+](=O)[O-])ccc2nc(CN2CCOCC2)n1-c1ccccc1F,CID9550899,,,,,,0.0,,,,,,,,,,,
Cc1ccc2c(c1)CCCN2C(=O)c1cccs1,CID1244181,,,,,0.0,,0.0,,,,,,0.0,,,,
CC1CCc2ccccc2N1C(=O)c1cccs1,CID2928409,,,,,0.0,,,,,0.0,,,0.0,,,,
O=C(c1cccs1)N1CCCc2ccccc21,CID750331,,,,0.0,0.0,,,,,,,,,,,,
CCOC(=O)c1cc(C)sc1NC(=O)C1CCC1,CID1244180,,,,,0.0,,0.0,0.0,,,,,,0.0,,,
COC(=O)c1c(NC(=O)C2CCC2)sc(C(=O)N(C)C)c1C,CID1246096,,0.0,,0.0,,,0.0,0.0,,,,,,,,0.0,
CC(C)c1cc(C(N)=O)c(NC(=O)C2CCC2)s1,CID1245075,,,,0.0,0.0,,,,,,,,,,,,
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)n1,CID1144705,,,,,,,,,,,,,,,0.0,,
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1OC,CID2068297,,,,,,,0.0,,,,,,,,,,
Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1,CID653841,,,,,,,,,,,0.0,,,,,,
COc1ccc(C(CC(=O)c2ccc(O)cc2)S(=O)(=O)c2ccc(C)cc2)cc1,CID2888409,,,,,,,,,,,,0.0,,,,,
COc1ccc(C(CC(=O)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1,CID2884084,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)CC(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1,CID2884181,,,,,,,,,,,,,,0.0,,,
Cc1ccc(-c2csc(N)n2)s1,CID2063929,,,,0.0,,,0.0,,,,0.0,,,,,,
CC(=O)Nc1nc(-c2cccs2)cs1,CID693802,,,0.0,,,,,,,0.0,,,,,0.0,,
CC(=O)NCc1ccc(-c2csc(N)n2)s1,CID2560398,,0.0,,,0.0,,,,,0.0,,,,,,,
CCn1nnc(NC(=O)c2cc3ccccc3o2)n1,CID969065,,0.0,,,,,,,,0.0,,,,,,0.0,
CCCCn1nnc(NC(=O)c2cc3ccccc3o2)n1,CID2219053,,,,0.0,,,,,,,,0.0,,,0.0,,
CCCn1nnc(NC(=O)c2cc3ccccc3o2)n1,CID893800,,0.0,,0.0,,,0.0,,,,,,0.0,,0.0,,
CCOC(=O)C1CCN(C(=O)CC(NS(=O)(=O)c2ccc(OC)cc2)C(C)C)CC1,CID3243748,,,0.0,,,,0.0,0.0,0.0,,,,,,,0.0,
Cc1ccc(S(=O)(=O)NCCC(=O)N2CCCCC2)cc1,CID678218,,0.0,,,,,0.0,,,,,,0.0,,,,
CC1CCN(C(=O)CCNS(=O)(=O)c2ccccc2)CC1,CID2537450,0.0,0.0,0.0,0.0,,,0.0,,,,,,,,,0.0,0.0
CN1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)N(C)C1=S,CID2178951,,,,,,,,,,,,,,0.0,,,
O=C1NC(=S)N/C1=C\c1cccc([N+](=O)[O-])c1,CID1422324,,,,,,,,,0.0,,,0.0,,,,,
COc1cc(/C=C2\C(=O)N(C)C(=S)N2C)ccc1O,CID822704,,,,,,,,,,,,,,,0.0,,
CCOC(=O)N1CCN(c2nc(C)c3c(n2)CCCC3=O)CC1,CID667257,,0.0,,0.0,,,0.0,,,,,,,,,,
CCN1CCN(c2nc(C)c3c(n2)CCCC3=O)CC1,CID1831288,,,,,,0.0,,,,,,0.0,,,,,
CCOC(=O)N1CCN(c2nc(C)c3c(n2)CC(C)CC3=O)CC1,CID665873,,,0.0,,,,,0.0,,,,0.0,0.0,,,,
Clc1ccc(Cc2nn3c(Cn4nnc5ccccc54)nnc3s2)cc1,CID667251,,0.0,,,,,,,,,0.0,,,,,,
COc1ccc(Cc2nn3c(Cn4nnc5ccccc54)nnc3s2)cc1,CID666558,0.0,0.0,,,0.0,,,,,,,,,,,,
c1ccc(Cc2nn3c(Cn4nnc5ccccc54)nnc3s2)cc1,CID666637,,0.0,0.0,,,,,,,,0.0,,,,,,
COc1ccc(-c2nc3ccccc3n2Cc2ccc(C)cc2)cc1,CID712187,,,,,,,,,,,0.0,0.0,,,,,
COc1ccc(-c2nc3ccccc3n2Cc2ccccc2)cc1,CID748273,,,,,,0.0,,,,0.0,,,,,0.0,,
COc1ccc(Cn2c(-c3ccc(OC)cc3)nc3ccccc32)cc1,CID746182,,,,,,,,,0.0,,,0.0,,,0.0,,
COc1ccccc1NC(=O)CCN1C(=O)C2CC=C(Cl)CC2C1=O,CID2909291,,0.0,,0.0,,,,,,,,,0.0,,,,0.0
O=C(CCN1C(=O)C2CC=C(Cl)CC2C1=O)Nc1ccccc1O,CID3236089,,0.0,,0.0,,,,,,,,,,,,0.0,
COc1ccc(NC(=O)CCN2C(=O)C3CC=C(Cl)CC3C2=O)cc1,CID2900903,,,,,,,,,,,,,,,,0.0,
Cc1ccc(-c2nnn(CC(=O)N(Cc3ccc(F)cc3)C(C(=O)NC3CCCC3)c3ccncc3)n2)o1,CID3180459,,,,,,,,,,0.0,,,,,,,
Cc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3F)C(C(=O)NC3CCCC3)c3ccncc3)n2)o1,CID3180457,,,,,,,,,0.0,,,,,,,,
Cc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3)C(C(=O)NC3CCCC3)c3ccncc3)n2)o1,CID644684,,,,,,,,,,,0.0,,,,,,
COC(=O)c1c(NC(=O)c2ccc(Br)s2)sc2c1CCC2,CID1246977,,,,,,,,,0.0,,,,,,,0.0,
CCOC(=O)c1c(NC(=O)c2cccs2)sc2c1CCC2,CID391239,,,,,,,,,,,,,0.0,,,,0.0
O=C(Nc1sc2c(c1C(=O)O)CCC2)c1cccs1,CID741713,,,,,,,0.0,,,0.0,,,,,,,
NC(=O)c1nsc(C(=O)N(CC(=O)NC2CCCC2)Cc2ccc3c(c2)OCO3)c1N,CID3172441,,,,,,,,,,,,,,0.0,,,
CC(C(=O)NC1CCCC1)N(Cc1ccc2c(c1)OCO2)C(=O)c1snc(C(N)=O)c1N,CID655802,,,0.0,,0.0,,,,,,,,,,,,
CCC(C(=O)NC1CCCC1)N(Cc1ccc2c(c1)OCO2)C(=O)c1snc(C(N)=O)c1N,CID655198,,,,,0.0,,,,,,,,,,,,
COc1ccc(C2(NC(C)=O)CCN(C(=O)c3cccs3)CC2)cc1,CID1443995,,,,,,,,,,0.0,0.0,,,,,,
COc1cccc(C2(O)CCN(C(=O)c3cccs3)CC2)c1,CID645687,,,,,0.0,,0.0,,,0.0,0.0,,0.0,,,,
COc1ccccc1C1(O)CCN(C(=O)c2cccs2)CC1,CID1446457,,,,,,0.0,,,,0.0,,,,0.0,,,
CC1CCN(C(=O)CCCOc2cc(=O)n(C)c3ccccc23)CC1,CID3240400,,,,,,,,0.0,,,,,,,,,0.0
CCOC(=O)C1CCCN(C(=O)CCCOc2cc(=O)n(C)c3ccccc23)C1,CID3239025,,,0.0,,,,0.0,0.0,,,,,,,,,
Cn1c(=O)cc(OCCCC(=O)N2CCCCC2)c2ccccc21,CID3242172,0.0,,,,0.0,,,0.0,,,,,0.0,,,,0.0
CCCN(CCC)CCNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCOCC3)c2c1=O,CID3240402,,0.0,,,,,,,,,,,,,,0.0,
CCCCN(CC)CCNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCOCC3)c2c1=O,CID3244624,,,,,,,0.0,,,0.0,,,,,,,
CCN(CC)CCNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCOCC3)c2c1=O,CID3242794,,,,,,,,,,,,,,,,0.0,
Cc1ccc(S(=O)(=O)N(CC(=O)N2CCOCC2)C2CCCCC2)cc1,CID1154655,,,,,,,0.0,,,,0.0,,0.0,,,,0.0
O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)N1CCOCC1,CID987000,,,,,,,,,,0.0,,,,,0.0,,
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N2CCOCC2)C2CCCCC2)c(C)c1,CID2202518,0.0,0.0,,,0.0,,,,,0.0,0.0,,,,,0.0,0.0
COc1ccc(C(c2nnnn2Cc2cccs2)N2CCN(c3ccccc3F)CC2)cc1,CID649190,0.0,,,,,,,,,,,,,,,0.0,
COc1ccc(C(c2nnnn2Cc2cccs2)N2CCN(c3ccc(F)cc3)CC2)cc1OC,CID656108,0.0,,,,,,,,,,,0.0,,,,,
COc1ccc(C(c2nnnn2Cc2cccs2)N2CCN(c3ccccc3)CC2)cc1OC,CID655875,0.0,,,,,,0.0,,,,,,0.0,,,,0.0
CCCOc1ccc(S(=O)(=O)NCCCN2CCOCC2)c2ccccc12,CID2236728,,,,,0.0,,,,,,,,,,,0.0,
CCOc1ccc(S(=O)(=O)NCCCN2CCOCC2)c2ccccc12,CID2868527,,,0.0,,0.0,,,0.0,0.0,,,,,,,,
COc1ccc(S(=O)(=O)NCCCN2CCOCC2)c2ccccc12,CID652874,,,,,0.0,,,,0.0,,,,,,0.0,,
COCCn1c(SCc2nnc(-c3ccccc3)o2)nc2sc3c(c2c1=O)CCC3,CID652710,0.0,,0.0,0.0,0.0,0.0,,,,,,,,,,,0.0
COCCn1c(SCc2nnc(-c3ccc(OC)c(OC)c3)o2)nc2sc3c(c2c1=O)CCC3,CID3173174,,,,,,,,,,,0.0,,,,,,
Cn1c(SCc2nnc(-c3ccccc3Br)o2)nc2sc3c(c2c1=O)CCC3,CID2491368,,,,,,,,,0.0,,0.0,,,,,0.0,
CCOC(=O)CSc1nc(-c2cccs2)nc2c1c(=O)n(C)c(=O)n2C,CID5310480,,,0.0,,,,,,,,,,,,,,
CC(C)Sc1nc(-c2cccs2)nc2c1c(=O)n(C)c(=O)n2C,CID5310145,,,0.0,,,,,,,,0.0,,,,,,
CCSc1nc(-c2cccs2)nc2c1c(=O)n(C)c(=O)n2C,CID5310177,,,,0.0,,,,,,,,,0.0,,,,
NC(=O)c1ccsc1NC(=O)COc1ccccc1,CID1246150,,,,0.0,0.0,,,0.0,,,,0.0,0.0,,,,
Cc1sc(NC(=O)COc2ccccc2)c(C#N)c1C,CID871259,,,,,,,,,,,,,,,0.0,,
Cc1ccc(Cl)c(OCC(=O)Nc2sc(C)c(C)c2C#N)c1,CID2225455,,,,,,,,,,,,,,,0.0,,
CC(C)CC(=O)NC1(C(F)(F)F)C(=O)Nc2c1c(=O)n(C)c(=O)n2C,CID2978631,,,,,,,,,0.0,,,,,,,,
CCCCC(=O)NC1(C(F)(F)F)C(=O)Nc2c1c(=O)n(C)c(=O)n2C,CID663532,,,,,,,,,0.0,,,,,,,,
CC(=O)NC1(C(F)(F)F)C(=O)Nc2c1c(=O)n(C)c(=O)n2C,CID662760,,,,,,,,,0.0,,,,,0.0,,,
COc1ccccc1-n1c(CNc2c(C)cccc2C)nnc1SCC(=O)N1CCOCC1,CID654716,0.0,,,,,,,0.0,,0.0,0.0,,,,,,
Cc1ccc(-n2c(CNc3ccc(F)cc3)nnc2SCC(=O)N2CCOCC2)cc1,CID1130232,,,,,,,,,,,0.0,,,,,,
O=C(CSc1nnc(CNc2ccc(F)cc2)n1-c1ccccc1)N1CCOCC1,CID1151089,,,,,,,,,,,0.0,,,,,,
Cc1oc(-c2ccccc2F)nc1CS(=O)CC(=O)NCc1ccc2c(c1)OCO2,CID5308854,,0.0,,,,,,,,,,,,,,,
COc1cccc(-c2nc(CS(=O)CC(=O)NCc3ccc4c(c3)OCO4)c(C)o2)c1,CID5307118,,,,,,0.0,,,,,,,,,,0.0,
COc1ccc(-c2nc(CS(=O)CC(=O)NCc3ccc4c(c3)OCO4)c(C)o2)cc1,CID5307360,,,,,,0.0,,0.0,,,,,,,,,0.0
CC1CCN(C(=O)C(Cc2ccccc2)n2cccc2)CC1,CID5309107,0.0,,,,,,,,,,,,,,,,
O=C(C(Cc1ccccc1)n1cccc1)N1CCCCC1,CID5309423,0.0,,,,,0.0,,,,,,,,,,,
CC1CCCN(C(=O)C(Cc2ccccc2)n2cccc2)C1,CID5309120,0.0,,0.0,,,0.0,,,,0.0,,,,,,,
C=CCNC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(C)ccc2C)c1,CID2228493,,,,,,,,,,,,0.0,,,,,
C=CCNC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1,CID2237563,,,,,,,,,,,,1.0,,,,,
COCCNC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2C)c1,CID2232382,,,,,,,,,,,,0.0,,,,,
COc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2-c2ccccc2)cc1,CID2060107,0.0,,,0.0,0.0,0.0,,,,0.0,,,,0.0,,,
O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)Nc1ccccc1,CID2357568,0.0,,0.0,,0.0,0.0,,,,0.0,,,0.0,,0.0,,
COc1ccc(-n2c(SCC(=O)Nc3ccc(C(=O)O)cc3)nnc2-c2cccs2)cc1,CID666008,,,,,0.0,,0.0,,,0.0,0.0,0.0,0.0,,,0.0,0.0
CCOC(=O)C1CCCN(C(=O)c2cn(CC)c(=O)c3cc(OC)c(OC)cc23)C1,CID3241792,,,,,,,,,,,,,,,,0.0,
CCOC(=O)C1CCCN(C(=O)c2cn(CC(C)C)c(=O)c3cc(OC)c(OC)cc23)C1,CID3244488,,,,,,,0.0,,,,,0.0,,,0.0,,
CCOC(=O)C1CCCN(C(=O)c2cn(C)c(=O)c3cc(OC)c(OC)cc23)C1,CID3238687,,,0.0,,,,,0.0,,,,,,,,0.0,
CN1CCN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1,CID763094,0.0,0.0,0.0,,,,,,,,,0.0,,,,,0.0
O=C(CN1CCNCC1)Nc1ccc(Oc2ccccc2)cc1,CID1846147,,,,,,,,,,,,0.0,,,,,
CCOC(=O)N1CCN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1,CID1179459,,,,,,,,,0.0,,0.0,0.0,,,,,
COc1ccc(NC(=O)Nc2ccc3nc(C)c(C)nc3c2)cc1,CID804149,,,,,,,,,,,0.0,,,,,,
CCOc1ccc(NC(=O)Nc2ccc3nccnc3c2)cc1,CID798070,,0.0,0.0,,,0.0,0.0,,,,,,,0.0,0.0,0.0,0.0
COc1ccc(NC(=O)Nc2ccc3nccnc3c2)cc1,CID798068,,0.0,,0.0,,,,0.0,,0.0,,,,,,,
CCOC(=O)N1CCN(C(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)CC1,CID987612,,,,,,,,,0.0,,,0.0,,,,,
CCOC(=O)N1CCN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(C)c2)CC1,CID2967484,0.0,0.0,,,0.0,,,,,,0.0,,,,,0.0,0.0
CCOC(=O)N1CCN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(Cl)c2)CC1,CID2974846,,,,,,,,,0.0,,,,,,,,
O=C(O)C1CC(=O)N(c2ccc(OCc3c(F)cccc3Cl)cc2)C1,CID651833,,,,,,,0.0,,,,,,0.0,,,0.0,
O=C(O)C1CC(=O)N(c2ccc(OCc3ccccc3)cc2)C1,CID2968114,,,,,,,,,,,,,,,0.0,,
O=C(O)C1CC(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C1,CID649458,,,0.0,0.0,,,0.0,,0.0,,,,0.0,0.0,,0.0,0.0
CCOC(=O)c1c(NC(=O)/C=C/c2ccco2)sc(C)c1C,CID722201,,,,,,0.0,,,,,,,,,,,
Cc1sc(NC(=O)/C=C/c2ccco2)c(C(=O)OC(C)C)c1C,CID897188,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1c(NC(=O)/C=C/c2ccc(C)o2)sc(C)c1C,CID874835,,,,,,,,,,,,,,0.0,,,
O=C(C1=C(N2CCCC2)CCc2ccccc21)c1ccc(Br)cc1,CID1046832,,,,,,,,,0.0,,,,,,0.0,,
O=C(C1=C(N2CCCC2)CCc2ccccc21)c1cccc(Br)c1,CID1046833,,,,,,,,,,,0.0,,,,,,
O=C(C1=C(N2CCCC2)CCc2ccccc21)c1ccc(F)cc1,CID822938,,,,,,,,,,0.0,,,,,,,
COc1ccc(CCC(=O)Nc2ccc(Br)cn2)cc1,CID1245295,0.0,,,,,,0.0,,0.0,,0.0,,,,0.0,0.0,0.0
Cc1nc(NC(=O)CCc2ccccc2)ccc1Br,CID975977,,,,,,,,,0.0,,0.0,0.0,,,,,
O=C(CCc1ccccc1)Nc1ccc(Cl)cn1,CID581852,,,,,,,,,,0.0,,,0.0,,,0.0,0.0
CCCc1nc2ccccc2c(C(=O)OC2CCOC2=O)c1CC,CID2999115,,,,,,,0.0,,,,,,,,,,
Cc1cc(C(=O)OC2CCOC2=O)c2ccccc2n1,CID4015909,,,,,,0.0,,,,,,0.0,,,,,
CCc1nc2ccccc2c(C(=O)OC2CCOC2=O)c1C,CID2998570,,,,0.0,,0.0,,,0.0,,,,,,,,
O=C(/C=C/c1ccccc1)NC(=S)NNC(=O)c1ccco1,CID1933021,,,,,,,,,0.0,,,,,0.0,,,
O=C(/C=C/c1ccc(Br)cc1)NC(=S)NNC(=O)c1ccco1,CID1847696,,,,,,,,,0.0,,,,,,,,
COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccco2)cc1,CID1933094,,,,,,,,,0.0,,,,,,,,
COc1ccc(C(=O)NCCn2cc(SCC(=O)NCc3ccco3)c3ccccc32)cc1,CID3243605,,,0.0,0.0,0.0,,,0.0,,,,,,,,,0.0
COc1ccccc1C(=O)NCCn1cc(SCC(=O)NCc2ccco2)c2ccccc21,CID3244983,,,,,0.0,,,,,,,0.0,,,,,
O=C(CSc1cn(CCNC(=O)c2ccccc2)c2ccccc12)NCc1ccco1,CID4145602,0.0,,,,0.0,0.0,,,,0.0,,,,,,,
CCS(=O)(=O)N1CCC(C(=O)NCc2ccco2)CC1,CID3242556,,,,,,,,,,,,,0.0,,,,0.0
CCCS(=O)(=O)N1CCC(C(=O)NCc2ccco2)CC1,CID3240967,,,,0.0,,0.0,,0.0,,,,,,,,0.0,
CS(=O)(=O)N1CCC(C(=O)NCc2ccco2)CC1,CID774775,,,,0.0,,,,,,0.0,,,,,,0.0,
CCOC(=O)c1oc2ccccc2c1NC(=O)CN1CCN(C)CC1,CID660540,,,,0.0,,,,0.0,,,,,,,,,
COC(=O)c1oc2ccc(Br)cc2c1NC(=O)CN1CCN(C)CC1,CID661547,0.0,,,,,,,,,,,0.0,,,,0.0,0.0
CCOC(=O)c1oc2ccc(Br)cc2c1NC(=O)CN1CCN(C)CC1,CID661372,0.0,,,,,,,,0.0,,,0.0,,,0.0,,
COc1ccc(N2CCN(C(=O)CCNS(=O)(=O)c3ccc(Br)s3)CC2)cc1,CID3241609,,,,,,,,,0.0,,0.0,,,,,0.0,
COc1ccccc1N1CCN(C(=O)CCNS(=O)(=O)c2ccc(Br)s2)CC1,CID3240566,,,,,,,,,,,,,,,,0.0,
O=C(CCNS(=O)(=O)c1ccc(Br)s1)N1CCN(c2ccccc2)CC1,CID3241003,,,,,,,,,,,,,,,,0.0,
Cc1cc(C)cc(N2C(=O)CC(N(C(=O)c3ccco3)c3cc(C)cc(C)c3)C2=O)c1,CID2960352,,,,,,,,,,0.0,,,,,,,
Cc1cccc(N2C(=O)CC(N(C(=O)c3ccco3)c3cccc(C)c3)C2=O)c1,CID2959157,0.0,,,,0.0,,,0.0,0.0,,,,,,,,
CCCOc1ccc(N2C(=O)CC(N(C(=O)c3ccco3)c3ccc(OCCC)cc3)C2=O)cc1,CID2960105,,,,,,,,,0.0,,,,,,,,
Cc1cc(C)c(NC(=O)c2sc3nc(C)[nH]c(=O)c3c2C)c(C)c1,CID2501559,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1NC(=O)c1sc2nc[nH]c(=O)c2c1C,CID735015,,,,,,,,,,,,,,0.0,,,
C=CCn1cnc2sc(C(=O)Nc3ccccc3OC)c(C)c2c1=O,CID1078302,,,,,,,,,,,,,,,0.0,,
Cn1c(SCc2nc3ccccc3[nH]2)nnc1-c1cccnc1,CID662948,,,,,0.0,,,,,,0.0,,,0.0,0.0,,
CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1cccnc1,CID932611,,,,,,,,,,,0.0,0.0,,,0.0,,
Nn1c(SCc2nc3ccccc3[nH]2)nnc1-c1cccnc1,CID886490,,0.0,,,0.0,,,,,0.0,0.0,,,,,0.0,
CN1CCc2c(sc3c2C(=O)NC(c2cccs2)N3)C1,CID660490,,,,,0.0,,,,,0.0,,,,,,,
Cc1ccc(C2NC(=O)c3c(sc4c3CCN(C)C4)N2)s1,CID660646,,,,0.0,0.0,,,,,,,,,,,,
Cc1ccsc1C1NC(=O)c2c(sc3c2CCN(C)C3)N1,CID3782904,,,,,0.0,0.0,,,,,,,,,,,0.0
COc1cccc(C(=O)NC(=S)Nc2ccc(N3CCCC3)cc2)c1,CID1344030,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCC3)cc2)cc1OC,CID1018666,,,,,,,,,,,,,,,0.0,,
COc1cc(C(=O)NC(=S)Nc2ccc(N3CCCC3)cc2)cc(OC)c1OC,CID1345163,,,,,,,,,,,,,,,0.0,,
CCc1ccc2c(CN(CC)Cc3nc(=O)c4ccccc4[nH]3)cc(=O)oc2c1,CID2082122,,,0.0,,0.0,,,0.0,0.0,,,,,,,,0.0
CCN(Cc1nc(=O)c2ccccc2[nH]1)Cc1cc(=O)oc2cc(C)c(C)cc12,CID2078496,,,0.0,,0.0,,,,,,,0.0,,,,,0.0
CCN(Cc1nc(=O)c2ccccc2[nH]1)Cc1cc(=O)oc2cc(OC)ccc12,CID2500611,,,,,,,,,,,,0.0,,,,,
O=C(CSc1nnc(-c2ccccc2F)n1C1CCCCC1)N1CCCC1,CID2623396,0.0,,,,0.0,,,,,,0.0,,,,,,
O=C(CSc1nnc(-c2ccccc2)n1C1CCCCC1)N1CCCC1,CID990955,,,,,0.0,,,,,,0.0,,,,,0.0,
O=C(CSc1nnc(-c2ccc(Br)cc2)n1C1CCCCC1)N1CCCC1,CID2527311,,,,,,,0.0,,,,0.0,,,,,,0.0
CCOC(=O)C1CCCN(C(=O)c2ccc3c(=O)n(CCOC)c(=S)[nH]c3c2)C1,CID3236413,,,,,,,,0.0,,,,,,,,0.0,0.0
CCOCCCn1c(=S)[nH]c2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2c1=O,CID3236091,,,0.0,,,,,,,,,,,,,,
CCCn1c(=S)[nH]c2cc(C(=O)N3CCCC(C(=O)OCC)C3)ccc2c1=O,CID3239215,,,,,,,,,0.0,,,,,,,,0.0
COc1ccc2c(=O)c3c(=O)n(Cc4ccco4)c(C(C)C)nc3oc2c1,CID666406,,0.0,0.0,,,,0.0,0.0,,,0.0,,,,0.0,,0.0
CCCc1nc2oc3cc(OC)ccc3c(=O)c2c(=O)n1Cc1ccco1,CID666783,,,0.0,,,,,,,,0.0,,0.0,,,,0.0
CCc1nc2oc3cc(OC)ccc3c(=O)c2c(=O)n1Cc1ccco1,CID666107,,,0.0,,,,,0.0,,,,,0.0,,0.0,,
Clc1cccc(-c2nnc3sc(-c4ccc5c(c4)OCO5)nn23)c1,CID667352,0.0,0.0,0.0,,,,,,,0.0,0.0,,,,,,
Clc1ccccc1-c1nnc2sc(-c3ccc4c(c3)OCO4)nn12,CID2212928,,,0.0,,,,,,,,,,,,,,0.0
Fc1ccc(-c2nnc3sc(-c4ccc5c(c4)OCO5)nn23)cc1,CID666970,0.0,0.0,0.0,,,,0.0,,,,,,,,,0.0,
Cc1nc(NC2=NCN(Cc3ccc4c(c3)OCO4)CN2)nc2ccccc12,CID667356,,,0.0,0.0,,,,,,,,,,,,,
Cc1cc2nc(NC3=NCN(Cc4ccc5c(c4)OCO5)CN3)nc(C)c2cc1C,CID666190,,0.0,0.0,,,,,,,,,,,,,,
Cc1ccc2nc(NC3=NCN(Cc4ccc5c(c4)OCO5)CN3)nc(C)c2c1,CID1248514,,0.0,,,,,,,,0.0,,0.0,,,,0.0,
O=C(CSc1nnc(Cc2cccs2)n1Cc1ccco1)Nc1cccc(Cl)c1,CID667355,,,0.0,,0.0,,,,0.0,,,0.0,0.0,,,,
Cc1cc(Cl)ccc1NC(=O)CSc1nnc(Cc2cccs2)n1Cc1ccco1,CID666527,,,,0.0,0.0,,,,0.0,,,,,,,0.0,
O=C(CSc1nnc(Cc2cccs2)n1Cc1ccco1)Nc1ccc(Br)cc1,CID1248897,,,,,,,,,0.0,,0.0,,,,,0.0,
Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)c3ccncc3)cc2c1,CID667354,0.0,0.0,,0.0,,0.0,,0.0,,0.0,,,,,,,
Cc1cccc2cc(CN(Cc3ccco3)C(=O)c3ccncc3)c(=O)[nH]c12,CID667034,0.0,,,,,,,,0.0,0.0,0.0,0.0,0.0,,,,
O=C(c1ccncc1)N(Cc1ccco1)Cc1cc2ccccc2[nH]c1=O,CID667295,0.0,0.0,,,,0.0,,,,0.0,,,0.0,,,,
CC(NC(=O)c1ccco1)C(c1cccs1)N1CCN(c2ccc(F)cc2)CC1,CID3244932,0.0,,,0.0,,,,,,,,,,,,,
COc1ccc(N2CCN(C(c3cccs3)C(C)NC(=O)c3ccco3)CC2)cc1,CID3237231,,,,,,,0.0,,,,,,,,,,
CC(NC(=O)c1ccco1)C(c1cccs1)N1CCN(c2ccccc2F)CC1,CID3244154,0.0,,,,,,,,,,,,,,,,
Cc1ccc(CNC(=O)C2CCCN(S(=O)(=O)c3cccnc3)C2)cc1,CID3244935,,,,,,,,,,,,0.0,,,,0.0,
O=C(NCc1ccccc1)C1CCCN(S(=O)(=O)c2cccnc2)C1,CID3243764,,,,,,,,,,0.0,,,,,,,
O=C(NCc1ccc(F)cc1)C1CCCN(S(=O)(=O)c2cccnc2)C1,CID3242560,,,0.0,,,0.0,,,,,,,,,,,
O=C(NCC(c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)OCc1ccccc1,CID3244936,,,0.0,,,,,0.0,,,,,0.0,,,,0.0
O=C(NCC(c1cccnc1)N1CCN(c2ccccc2F)CC1)OCc1ccccc1,CID3242494,,,,,,,,0.0,,,,,,,,,0.0
O=C(NCC(c1cccnc1)N1CCN(c2ccccc2)CC1)OCc1ccccc1,CID3241182,0.0,0.0,0.0,,,,,,,,,,,,,,
O=C(CSCc1ccc(F)cc1)NC1CCCC1,CID3244937,,,,,0.0,,,,,,,,,,,,
CC(SCc1ccccc1)C(=O)NC1CCCC1,CID2889434,,,,0.0,0.0,,,,,,,,,0.0,,,
Cc1ccccc1CSCC(=O)NC1CCCC1,CID774268,,,,,,,,,0.0,,,,,,,,
COC(=O)C1=C(C)Nc2ccc(C)cc2S1,CID713501,,,,0.0,0.0,,0.0,,,,,0.0,,,,,
CC(=O)C1=C(C)Nc2cc(C(F)(F)F)ccc2S1,CID846402,,,,,,,,,,,,0.0,,,,,0.0
CCOCCOC(=O)C1=C(C)Nc2ccc(C)cc2S1,CID3245722,,,,,0.0,,,,,,0.0,,,,,,
Cc1nc(-c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)cs1,CID5209980,,,,,,0.0,,,,,,,,,,,
Cc1nc(-c2cccc(S(=O)(=O)N3CC(C)CC(C)C3)c2)cs1,CID3785714,,,,,,,,,0.0,,0.0,,,,,,
CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3csc(C)n3)c2)CC1,CID664550,0.0,,,0.0,0.0,,,,0.0,0.0,,,,0.0,0.0,,
O=Cc1c(OCc2ccccc2)ccc2ccccc12,CID735460,,,,,,,,,,,,,,0.0,,,
O=[N+]([O-])/C=C/c1c(OCc2ccccc2)ccc2ccccc12,CID896836,,,,,,,,,,,,,,,0.0,,
O/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12,CID807729,,,,,,0.0,,,,,,,,,,,
N#Cc1nc(Cc2cccc3ccccc23)oc1N1CCC(C(N)=O)CC1,CID664658,,,0.0,,,,,,,,,0.0,,,,,
CC1CCN(c2oc(Cc3cccc4ccccc34)nc2C#N)CC1,CID664454,0.0,,,0.0,,0.0,0.0,,,,,0.0,,,0.0,,
N#Cc1nc(Cc2cccc3ccccc23)oc1N1CCCCC1,CID664387,,0.0,0.0,0.0,,,0.0,,,,0.0,0.0,,,,,
NC(=O)c1ccc(Oc2ccc3ccc(=O)oc3c2)c([N+](=O)[O-])c1,CID2101716,,,,,,,,,,,,,,0.0,,,
Cc1c(C)c2ccc(Oc3ccc([N+](=O)[O-])cc3C(F)(F)F)c(C)c2oc1=O,CID1324253,,,,,,,,,,,,,,0.0,,,
O=c1ccc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2o1,CID1908550,,,,,,,,,,,,,,,0.0,,
COc1ccc(CC(=O)OCc2cc3cccc(C)c3[nH]c2=O)cc1,CID663929,,,0.0,,,0.0,,,,,,,0.0,,0.0,0.0,0.0
COc1ccc(CC(=O)OCc2cc3ccc(C)cc3[nH]c2=O)cc1,CID663807,,,,,,,,,,,0.0,,,,0.0,0.0,0.0
COc1ccc(CC(=O)OCc2cc3ccccc3[nH]c2=O)cc1,CID664709,,,,,,,,,,,,,,,,0.0,
Oc1c(C(c2cccs2)N2CCOCC2)sc2ncnn12,CID4663723,0.0,0.0,,,0.0,,,,,,,,,,,,
Cc1nc2sc(C(c3cccs3)N3CCOCC3)c(O)n2n1,CID5073231,0.0,0.0,0.0,,0.0,,,,,,,,,,,,
CC1CN(C(c2cccs2)c2sc3ncnn3c2O)CC(C)O1,CID4204476,,,,,0.0,,,,,,,,,,,,
Cc1cc2cc(C(c3nnnn3CC3CCCO3)N3CCCc4ccccc43)c(=O)[nH]c2cc1C,CID653146,,,,,,,0.0,,,0.0,,,,,,,
Cc1cccc2cc(C(c3nnnn3CC3CCCO3)N3CCCc4ccccc43)c(=O)[nH]c12,CID650530,,,,,,,,,,,,,,,,,0.0
CCc1ccc2[nH]c(=O)c(C(c3nnnn3CC3CCCO3)N3CCCc4ccccc43)cc2c1,CID645431,,,0.0,,,,,,,,,,,,,,
O=C(O)c1ccc(Cl)c(NC(=O)C2CCCN2S(=O)(=O)c2cccc3nsnc23)c1,CID3245261,,,,,,,0.0,,,,,0.0,,,,,
CC(=O)c1cccc(NC(=O)C2CCCN2S(=O)(=O)c2cccc3nsnc23)c1,CID9551386,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C(=O)O)cc1NC(=O)C1CCCN1S(=O)(=O)c1cccc2nsnc12,CID9550518,,,,,,,,,,0.0,,,,,,,
Cc1ccc2cccc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)c2n1,CID1299981,,,0.0,,0.0,,0.0,0.0,,,,,,,,0.0,
Cc1ccc2cccc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)c2n1,CID1528113,0.0,,0.0,0.0,0.0,,,,,,0.0,,,,0.0,,0.0
COc1ccc(N2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)cc1,CID1299513,0.0,,,0.0,0.0,0.0,0.0,0.0,,,,,,,,,0.0
COc1cccc(CNC(=O)CCS(=O)(=O)c2cccc3nsnc23)c1,CID3239199,,,0.0,,0.0,,,,,0.0,0.0,,,,,,
O=C(CCS(=O)(=O)c1cccc2nsnc12)NCc1ccccc1,CID3235702,,,,,0.0,,,,0.0,0.0,0.0,,,,,,0.0
Cc1ccc(CNC(=O)CCS(=O)(=O)c2cccc3nsnc23)cc1,CID3240456,,0.0,0.0,,0.0,,,,,0.0,,,0.0,,,0.0,
COC(=O)c1ccc2ccn(CC(=O)NC3CCCCC3)c2c1,CID848452,,,,,,0.0,,,0.0,,,,,,,,
N#Cc1ccc2ccn(CC(=O)NC3CCCCC3)c2c1,CID645441,0.0,,,,0.0,,0.0,,,,,0.0,,,,0.0,0.0
COC(=O)c1cn(CC(=O)NC2CCCCC2)c2ccccc12,CID645611,0.0,,,,0.0,,0.0,0.0,0.0,,,0.0,,,,,
O=C(CNC(=O)c1cccc(Br)c1)NCCc1nc2ccccc2[nH]1,CID2011852,,,,,,,,,0.0,,0.0,0.0,,,,,
O=C(CNC(=O)c1ccc(Br)cc1)NCCc1nc2ccccc2[nH]1,CID1833437,,,,,,,,,0.0,,0.0,0.0,,,,,
O=C(CNC(=O)c1ccccc1)NCCc1nc2ccccc2[nH]1,CID664532,,0.0,,0.0,,,0.0,,0.0,,,,,,,0.0,
COc1cccc(-c2cc(C(F)(F)F)nc(-n3cncn3)n2)c1,CID3238820,0.0,,,,0.0,,,,,,,,,,,,
Fc1ccc(-c2cc(C(F)(F)F)nc(-n3cncn3)n2)cc1,CID3239447,,,,,,,,,0.0,,,,,,,,
FC(F)(F)c1cc(-c2ccccc2)nc(-n2cncn2)n1,CID3240078,,,,,0.0,,,,,,,,,,,0.0,
CC1CCN(C(=O)C2c3ccccc3C(=O)N3CCc4ccccc4C23)CC1,CID3241378,,,,,,,0.0,0.0,,,,,,,,,
CC1CCCN(C(=O)C2c3ccccc3C(=O)N3CCc4ccccc4C23)C1,CID3245995,,,,0.0,,,,0.0,,0.0,,,,,,,
NC(=O)C1CCN(C(=O)C2c3ccccc3C(=O)N3CCc4ccccc4C23)CC1,CID3245306,,,,,,,,,,0.0,,,,,,0.0,
O=C(O)CCN1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)N(CCC(=O)O)C4=O)cc2C1=O,CID3130477,,,,,,,,,,,,,,0.0,0.0,,
O=C1c2ccc(Oc3ccc4c(c3)C(=O)N(CCCO)C4=O)cc2C(=O)N1CCCO,CID1803566,,,,,,,,,0.0,,,,,,,,
O=C1c2ccc(Oc3ccc4c(c3)C(=O)N(CCCCO)C4=O)cc2C(=O)N1CCCCO,CID652420,,,0.0,,,,,0.0,,,,,,,,,
CN(CCCNC(=O)C1CCC(=O)N1Cc1ccc(F)cc1)c1ccccc1,CID4307375,,,,,,,0.0,0.0,,,,,,,,,
CCN(CCCNC(=O)C1CCC(=O)N1Cc1ccc(C)cc1)c1cccc(C)c1,CID3242140,,,,,0.0,0.0,,,,,,,,,,,
CCN(CCCNC(=O)C1CCC(=O)N1Cc1ccc(F)cc1)c1cccc(C)c1,CID3244443,,,0.0,,,,,,,,,,,,,0.0,
Cc1noc(C)c1CSc1nnc(-c2ccccc2)n1N,CID2563544,,,,,,,,,,0.0,,,,,,,
COc1ccc(-c2nnc(SCc3c(C)noc3C)n2N)cc1OC,CID2394683,,,,,,,,,,,0.0,,,,,,
Cc1noc(C)c1CSc1nnc(-c2cc(Cl)ccc2Cl)n1N,CID2565794,,,0.0,,,,,,,,,,,,,,
CSc1nc(-c2ccccc2)nc2[nH]ccc(=O)c12,CID5337893,,,,0.0,,,0.0,,,,,,,,,,
Cc1nc(-c2ccccc2)nc2[nH]ccc(=O)c12,CID5337892,,,,,,0.0,,,,,,,,,,,
Cc1nc(-c2ccccc2)nc2[nH]c(C(C)C)cc(=O)c12,CID892045,0.0,,0.0,,,,,0.0,0.0,,,,0.0,,,,
Cc1ccc(-c2csc3ncn(CC(=O)N4CCOCC4)c(=O)c23)cc1,CID1078322,,,,,,,,,,,0.0,,,,,,
O=C(Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O)N1CCOCC1,CID1192581,,,,,,0.0,,,,,,,,,,,
O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)N1CCOCC1,CID1078314,,,,0.0,,,,0.0,,,,,0.0,,,,0.0
Cc1cccc(NC(=O)CC2NC3CCCCC3NC2=O)c1,CID650614,,,,,,,0.0,0.0,,,,,,,,0.0,
COC(=O)c1cc(NC(=O)CC2NC3CCCCC3NC2=O)cc(C(=O)OC)c1,CID2954815,,,,,,,,,,0.0,,,,,,,
O=C(CC1NC2CCCCC2NC1=O)Nc1cccc(C(F)(F)F)c1,CID2955378,,,,,,,,,0.0,,,,,,,,
CCN1CCCC1CN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)Nc1ccccc1OC,CID650617,,,0.0,,,,,,0.0,,,,,,,0.0,0.0
CCN1CCCC1CN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=O)Nc1ccccc1OC,CID652717,,,,,,,,,0.0,,,,,,,0.0,0.0
CCN1CCCC1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=O)Nc1ccccc1OC,CID647438,,,0.0,,,,,0.0,0.0,,,,,,,,0.0
CC(C)NC(=O)c1ccc(C2SCC(=O)N2Cc2ccccc2)cc1,CID3105132,,,,,,,,,,,,0.0,,,,,
O=C(O)c1ccc(C2SCC(=O)N2Cc2ccccc2)cc1,CID562753,0.0,,,,,,,,0.0,,,,0.0,,,,
NC(=O)c1ccc(C2SCC(=O)N2Cc2ccccc2)cc1,CID3236754,0.0,,,0.0,0.0,,,0.0,,,,,,,,,0.0
Cc1c(NC(=O)c2noc(C(C)C)c2[N+](=O)[O-])c(=O)n(-c2ccccc2)n1C,CID9550738,,,,,,,,,,,0.0,,,,,,
CCCc1cc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)no1,CID9550632,,,,,,,,,,0.0,,,,,,,
Cc1c(NC(=O)c2cc(C(C)C)on2)c(=O)n(-c2ccccc2)n1C,CID3244433,0.0,,,,,0.0,,0.0,,,,,0.0,,,,
Nc1ccc(-c2cc(-c3cccc(N)c3)nc(-c3ccccc3)n2)cc1,CID630816,,,,,,,,,,,,,,,0.0,,
CC(=O)Nc1ccc(-c2cc(-c3ccc(NC(C)=O)cc3)nc(-c3ccccc3)n2)cc1,CID542139,,,,,,,,,,,,0.0,,,,,
CCC(=O)Nc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(NC(=O)CC)cc3)n2)cc1,CID1132322,,,,,,0.0,,,,,,0.0,,,0.0,,
Cc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)NC2CCCCC2)C1,CID9550131,,,,,,,,,,0.0,,,,,,,
Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCCC(C(=O)NC2CCCCC2C)C1,CID5308588,,,,,,,0.0,,,,,,,,,,
Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCCC(C(=O)NC2CCCCC2)C1,CID5307619,,,,,,,,,0.0,,,,,,,0.0,
Cc1ccc(CNC(=O)CN(C)S(=O)(=O)c2cnc[nH]2)cc1,CID9550134,,,,,,,,,,,,,,0.0,,,
COc1cccc(CNC(=O)CN(C)S(=O)(=O)c2cnc[nH]2)c1,CID3239582,,0.0,,,,,,,0.0,,0.0,0.0,,,,0.0,
CN(CC(=O)NCc1ccccc1)S(=O)(=O)c1cnc[nH]1,CID6620305,,,,,,,,,,,0.0,,,,,,
COc1cccc(NC(=O)CC2(CC(=O)O)CCCC2)c1,CID662522,,,,,,,0.0,,,,,,,,,,0.0
COC(=O)C(C(=O)Nc1ccccc1C)C1CCCC1,CID2924875,,,,,,,0.0,,0.0,,,,0.0,,,0.0,0.0
COC(=O)C(C(=O)Nc1cccc(Cl)c1C)C1CCCC1,CID2925726,,,,,,,,,,,,,,0.0,,,
Cc1ccc(CCNC(=O)C2CCCN(S(=O)(=O)c3cccc4nsnc34)C2)cc1,CID3245391,,0.0,,,0.0,,,,,,,0.0,,,,,
O=C(NCCc1ccccc1)C1CCCN(S(=O)(=O)c2cccc3nsnc23)C1,CID3244329,,0.0,,,0.0,,,,,,,,,,,0.0,0.0
Cc1cccc(CCNC(=O)C2CCCN(S(=O)(=O)c3cccc4nsnc34)C2)c1,CID3236333,,,,0.0,0.0,,,,,,,,,,,,0.0
CNC(=O)c1c(O)n2c3c(cccc3c1=O)CC2,CID758862,,,,0.0,,,,,,0.0,,,,,,,
CCNC(=O)c1c(O)n2c3c(cccc3c1=O)CC2,CID644847,,,0.0,,,,0.0,0.0,,,,0.0,0.0,,,0.0,0.0
O=C(NCCO)c1c(O)n2c3c(cccc3c1=O)CC2,CID653355,,,,,0.0,,,0.0,,,,,,,,,0.0
CCOc1ccc(C(=O)NCC2OCCc3ccccc32)cc1,CID2881073,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)NCC2OCCc3ccccc32)c(O)c1,CID2881045,0.0,0.0,0.0,,0.0,,0.0,0.0,,,0.0,0.0,,,,0.0,0.0
COc1ccc(C(=O)NCC2OCCc3ccccc32)cc1,CID2870139,,,,,,0.0,,,,0.0,,,,,,,
CC(=O)C(Sc1nccc(-c2cccs2)n1)C(C)=O,CID1481663,,,,,,,,,,,,,,,0.0,,
CS(=O)(=O)c1nc(-c2cccs2)cc(C(F)(F)F)n1,CID3245258,,,,,0.0,,,,,,,,,,,,
CN(C)/C=N/c1nccc(-c2cccs2)n1,CID3744932,,,,,,,,,,,,,,,0.0,,
O=S(=O)(c1cccs1)N1CCC(Cc2ccccc2)CC1,CID674994,,,,,0.0,,,,,,,0.0,0.0,,,,
O=S(=O)(c1ccc(Cl)s1)N1CCC(Cc2ccccc2)CC1,CID2943089,,,,,,,,,0.0,,,,,,,,
O=S(=O)(c1ccc(Br)s1)N1CCC(Cc2ccccc2)CC1,CID1318357,,,,,,,,,0.0,,,,,,,,
CCCCN(C)CCn1c(=S)[nH]c2ccc(N3CCOCC3)cc2c1=O,CID3236096,,,,,,,0.0,,,0.0,,,,,,,
COCCCn1c(=S)[nH]c2ccc(N3CCOCC3)cc2c1=O,CID3241066,,,,,,,,0.0,,,,,,,,,
CC(C)OCCCn1c(=S)[nH]c2ccc(N3CCOCC3)cc2c1=O,CID3240809,,,,,,,,,0.0,,0.0,,,,,0.0,0.0
O=C(NC(=S)NCC1CCCO1)c1ccccc1Br,CID2908110,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1C(=O)NC(=S)NCC1CCCO1,CID2909102,,,,,,0.0,,,,,,,,,,,
CC(C)(C)c1ccc(C(=O)NC(=S)NCC2CCCO2)cc1,CID2947452,,,,,,,,,,,,,,,0.0,,
CCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2CCc1ccccc1,CID664900,,,,,,,,,,,,0.0,,,,,
COCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2CCc1ccccc1,CID661602,0.0,,,,,,0.0,,,,,0.0,0.0,,,,
COCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2CCc1ccccc1,CID661664,,0.0,,,,0.0,,,,,,0.0,,,,,
Fc1cccc(-n2c(-c3ccco3)nc3nc4ccccc4nc32)c1,CID664906,,0.0,,,,0.0,,,,,,0.0,,,,,
Cc1cccc(-n2c(-c3ccco3)nc3nc4ccccc4nc32)c1,CID920341,,,,,,,,,,,,0.0,,,,,
Fc1ccc(-n2c(-c3ccco3)nc3nc4ccccc4nc32)cc1,CID2999175,,,,,,0.0,0.0,,,,,,,,,,
CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)C1CCCCC1,CID2594513,,,0.0,,,,0.0,,,,,0.0,0.0,,,,0.0
CC(C)C(NC(=O)C1CCCCC1)C(=O)Nc1ccc2c(c1)OCCO2,CID3243870,0.0,,0.0,,,,,0.0,,,,,,,,0.0,0.0
CC(C)CC(NC(=O)C1CCC(C)CC1)C(=O)Nc1ccc2c(c1)OCCO2,CID9549984,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-c2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3[nH]2)o1,CID665056,0.0,,0.0,,,,0.0,,0.0,0.0,,0.0,0.0,0.0,,,
O=C1c2ccccc2C(=O)N1c1ccc2nc(-c3ccco3)[nH]c2c1,CID665279,0.0,,0.0,,,0.0,,,0.0,,0.0,,0.0,,,,
O=C1c2ccccc2C(=O)N1c1ccc2nc(-c3ccc(Br)o3)[nH]c2c1,CID665299,0.0,,,,,,,,1.0,,,,,,,,0.0
COc1ccc2[nH]c(=O)c(CN(C)C(=O)COc3ccccc3)cc2c1,CID665050,,,,0.0,,0.0,,,,,0.0,0.0,,,,0.0,
COc1ccc2[nH]c(=O)c(CN(C(=O)COc3ccccc3)C(C)C)cc2c1,CID665368,,,0.0,,,0.0,,,0.0,,,0.0,,,,,
CCCCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)COc1ccccc1,CID665147,0.0,,0.0,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,,,0.0,
O=C(OCc1cc2ccccc2[nH]c1=O)c1ccccn1,CID665059,,,,0.0,,,0.0,0.0,0.0,,,,,,,,
Cc1ccc2[nH]c(=O)c(COC(=O)c3ccccn3)cc2c1,CID665088,,,0.0,,0.0,0.0,0.0,,0.0,,0.0,,,0.0,,,
Cc1cccc2cc(COC(=O)c3ccccn3)c(=O)[nH]c12,CID664385,,,,,0.0,,0.0,,0.0,,0.0,,,0.0,,,
CCOC(=O)N1CCN(C(=O)CSc2ccc(Cl)cc2)CC1,CID805203,0.0,,0.0,0.0,0.0,,,,,0.0,,,,0.0,,,
CN1CCN(C(=O)CSc2ccc(Cl)cc2)CC1,CID674991,,,,,,,,,,,,,,0.0,,,
CCOC(=O)N1CCN(C(=O)CSc2ccccc2)CC1,CID675022,,0.0,,,,,,,,,,,,,,0.0,0.0
COCc1cc(C)nc(SCC(=O)N2CCC(C)CC2)c1C#N,CID2215459,,0.0,,0.0,,,0.0,,,,,0.0,,,,0.0,0.0
Cc1cc(C)c(C#N)c(SCC(=O)N2CCCCC2)n1,CID710309,,0.0,,0.0,,,0.0,0.0,,0.0,0.0,0.0,,,,0.0,
NC(=O)C1CCN(C(=O)CSc2ccccn2)CC1,CID718972,,0.0,,,,,0.0,0.0,,,,0.0,0.0,,,,
NC(=O)C1CCN(C(=O)N2c3ccccc3Sc3ccccc32)CC1,CID1389785,,,,0.0,0.0,,0.0,,,,,,,0.0,,0.0,
CC1CCCN(C(=O)N2c3ccccc3Sc3ccccc32)C1,CID2973328,,,,,,0.0,,,,,,0.0,,,,,
CC1CCN(C(=O)N2c3ccccc3Sc3ccccc32)CC1,CID714968,,,,,,,,,,,,0.0,,,,,
O=C(COc1ccccc1F)Nc1nnc(-c2ccncc2)s1,CID921459,,,,,,0.0,,,,0.0,,,,,,,
C=CCN(C(=O)COc1ccccc1)c1nnc(-c2ccncc2)s1,CID1076248,,,,,,,,,,,0.0,,,,,,
CN(C(=O)COc1ccccc1)c1nnc(-c2ccncc2)s1,CID654520,0.0,,,0.0,,,0.0,0.0,,,,,,,,0.0,
CCC(c1nnnn1C1CCCC1)N1CCN(c2ccccc2F)CC1,CID647944,,0.0,,,,,,,,,,,,,,,
CC(C)C(c1nnnn1C1CCCC1)N1CCN(c2ccccc2F)CC1,CID647539,,0.0,0.0,0.0,,,,,,,,,0.0,,,,0.0
CCC(c1nnnn1C1CCCC1)N1CCN(c2ccccc2)CC1,CID647993,,0.0,,,,,,,,,,0.0,,,,,
CN(C)c1nc(OCCOC(=O)c2ccccc2)nc(N(C)C)n1,CID647947,,,0.0,,,0.0,,,,,,,,0.0,,0.0,
CCNc1nc(NCC)nc(OCCOC(=O)c2ccccc2)n1,CID646017,,0.0,,0.0,,0.0,,,,,,,0.0,,,,
CCNc1nc(NC(C)C)nc(OCCOC(=O)c2ccccc2)n1,CID3130287,,,,,,,,,,,0.0,,,,,,
CCOc1cccc(N2C(=O)CC(n3cnc4ccccc43)C2=O)c1,CID2950114,,,,0.0,0.0,,0.0,0.0,,,,,0.0,,,,
COc1ccc(N2C(=O)CC(n3c(CCCCO)nc4ccccc43)C2=O)cc1,CID2981638,,,0.0,,0.0,,0.0,,0.0,0.0,,0.0,0.0,,0.0,0.0,
COc1ccc(N2C(=O)CC(n3cnc4ccccc43)C2=O)cc1,CID3312060,,,,,,,,,,,,0.0,,,,,
CCC(C)(C)n1nnnc1C(C(C)C)N1CCC(C(N)=O)CC1,CID655071,,,,0.0,,,0.0,,,0.0,,,,,,,
CCC(C)(C)n1nnnc1C(CC(C)C)N1CCC(C(N)=O)CC1,CID647785,,0.0,,,,,,,,,,,,,,0.0,
CCC(c1nnnn1CCC(C)C)N1CCC(C(N)=O)CC1,CID655135,,0.0,0.0,0.0,,,,,,,,,,,,,
Cc1ccccc1C(=O)Nc1ccccc1C(=O)NCc1ccccc1,CID887021,,,,,,0.0,,,,,,,,,,,
CN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)c1ccccc1,CID2966205,,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccccc1C(=O)NCc1ccccc1)c1ccccc1,CID724169,,,,,,,,,,,,0.0,,,,,
CCOc1ccc2nc(SCC(=O)N3CCN(C(=O)c4ccco4)CC3)sc2c1,CID2348019,,,,,,,,,,,0.0,,,,,,
O=C(CSc1nc2cc(Cl)ccc2s1)N1CCN(C(=O)c2ccco2)CC1,CID2348069,,,0.0,,,,,,0.0,,,,,0.0,,,
O=C(CSc1nc2ccccc2s1)N1CCN(C(=O)c2ccco2)CC1,CID2348061,,0.0,0.0,,0.0,,0.0,,,,,,,,,,
C=CCn1c(C)cc(C(=O)COc2ncnc3sccc23)c1C,CID2614038,,0.0,,,0.0,,,0.0,,,,0.0,,,,,
CCCn1c(C)cc(C(=O)COc2ncnc3sccc23)c1C,CID2614045,,0.0,,,,0.0,,0.0,,,,0.0,0.0,,0.0,0.0,
Cc1cc(C(=O)COc2ncnc3sccc23)c(C)n1C,CID2081542,,0.0,,,,,0.0,0.0,,,,0.0,,,,,0.0
O=C(CCc1ccccc1)NNC(=O)c1ccc(Br)cc1,CID809032,,,,,,,,,,,,,,,0.0,,
CCCCC(=O)Nc1ccc(C(=O)NNC(=O)CCc2ccccc2)cc1,CID2236068,,,,,,0.0,,,,,,,,,,,
CC(=O)Nc1ccc(C(=O)NNC(=O)CCc2ccccc2)cc1,CID776571,,,,,,0.0,,,,,,,,,,,
O=C(NCc1ccco1)C(c1ccc(F)cc1)N(Cc1cccnc1)C(=O)Cn1nnc2ccccc21,CID655858,,,0.0,,,,,,,0.0,,,0.0,0.0,,,
O=C(NCc1ccco1)C(c1ccccc1)N(Cc1cccnc1)C(=O)Cn1nnc2ccccc21,CID654038,,,,,,,,,,0.0,,0.0,,,,,0.0
O=C(NCc1ccco1)C(c1ccccc1F)N(Cc1cccnc1)C(=O)Cn1nnc2ccccc21,CID655796,,,,,,,,,,,0.0,,0.0,,,,
CCCn1nnnc1SCC(=O)NCc1cccs1,CID655852,0.0,,0.0,0.0,,0.0,,,,0.0,,,,,,,
CC(C)n1nnnc1SCC(=O)NCc1cccs1,CID649442,0.0,0.0,0.0,,,,0.0,,,0.0,,,0.0,,,,
CCn1nnnc1SCC(=O)NCc1cccs1,CID655634,0.0,,,,,,0.0,,,0.0,,,0.0,,,,
COc1ccc(CN(C2CCCC2)S(=O)(=O)c2ccc(-n3cnnn3)cc2)cc1,CID647199,,,,,,,,,,,,,,,,,0.0
COc1ccc(CN(C2CCCC2)S(=O)(=O)c2ccc(-n3cnnn3)cc2)cc1OC,CID654569,0.0,,,,,,,,,,0.0,,,,,1.0,0.0
COc1ccc(CN(C2CCCC2)S(=O)(=O)c2ccc(-n3cnnn3)c(OC)c2)cc1OC,CID648747,,0.0,,,,,,,,,,,,,,,
COc1ccc(CCNC(=O)C2CC(c3cccc([N+](=O)[O-])c3)=NO2)cc1,CID11958535,,,,,,0.0,,,,,,,,,,,
COc1ccc(CCNC(=O)C2CC(c3ccc([N+](=O)[O-])cc3)=NO2)cc1,CID11958672,,,,,,0.0,,,,,,,,,,,
COc1ccc(CCNC(=O)C2CC(c3c(Cl)cccc3Cl)=NO2)cc1,CID11958544,,,,,,0.0,,,,,,,,,,,
O=c1c(-c2ccc(Br)cc2)coc2c(CN3CCOCC3)c(O)ccc12,CID5389824,,,,,,,0.0,,,,,,,,,,
Cc1oc2c(CN3CCOCC3)c(O)ccc2c(=O)c1-c1ccccc1,CID5361807,,,0.0,0.0,,,,,0.0,,,,,,,,
O=c1c(-c2ccccc2)coc2c(CN3CCOCC3)c(O)ccc12,CID5310763,,,0.0,,,,,0.0,,,,,,,,,
O=C(Cc1ccc(F)cc1)N(c1ccccc1)C1C=CS(=O)(=O)C1,CID3242762,,0.0,0.0,,,,,0.0,,,,,,,,,
O=C(Cc1ccc(F)cc1)N(c1ccc(F)cc1)C1C=CS(=O)(=O)C1,CID3239964,,,,,,,,,,,,,,,,0.0,0.0
O=C(Cc1ccccc1)N(c1ccc(F)cc1)C1C=CS(=O)(=O)C1,CID3235691,,,,,,,0.0,,,,,0.0,,,,0.0,
CN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCN(c3ccccn3)CC2)ccc1Cl,CID2999548,,0.0,,,0.0,,0.0,,,,0.0,0.0,,,,,0.0
O=C(c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1)N1CCN(c2ccccn2)CC1,CID3922967,,,,,,0.0,,,,,,,,,,,
CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccn3)CC2)c1,CID2998879,,,,,,,,,,,,,,,,,0.0
Cc1cc(C)n2cc(CSc3nc4cc(Cl)ccc4o3)nc2n1,CID2999547,0.0,,0.0,,0.0,,,,,,0.0,0.0,,,,,0.0
Cc1cc(C)n2c(Br)c(CSc3nc4ccccc4o3)nc2n1,CID3241783,,,,,,,,,0.0,,0.0,,,,,0.0,
Brc1c(CSc2nc3ccccc3o2)nc2ncccn12,CID1181730,,,,,,,,,0.0,,0.0,,,,,0.0,0.0
CC1(C)Cc2cccc(OCC(=O)N3CCN(S(=O)(=O)c4ccccc4F)CC3)c2O1,CID2548680,,,,,,,,,,,,,0.0,,,,0.0
CC1(C)Cc2cccc(OCC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)c2O1,CID2516753,,,,,0.0,,,,,,,,,,,0.0,
CC1(C)Cc2cccc(OCC(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)c2O1,CID2551561,,,,,,,,0.0,,,,,,,,,0.0
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1,CID2999543,,0.0,0.0,,0.0,,,,0.0,,,,0.0,,,,
COc1ccc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1S(=O)(=O)N1CCOCC1,CID2997877,,,,0.0,,,,,,0.0,0.0,,0.0,,0.0,,
O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1,CID2999553,,,,0.0,0.0,,,,,,0.0,,,,,,
N#Cc1nc(COc2ccccc2)oc1N1CCOCC1,CID976691,,,,,,,,,,,,,0.0,,,,
N#Cc1nc(COc2ccc(Cl)cc2Cl)oc1N1CCOCC1,CID663888,0.0,,,,,,,,,,,,0.0,0.0,,,
CC1CN(c2oc(COc3ccc(Cl)cc3Cl)nc2C#N)CC(C)O1,CID2963508,0.0,0.0,,0.0,,,,,,,,,,,,,
Cc1ccc2c(c1)=C/C(=C1/N=C(C(C)C)ON1)C(=O)N=2,CID5423604,,,0.0,,,,,,,,,,,,,0.0,
CCC1=N/C(=C2/C=c3ccc(C)cc3=NC2=O)NO1,CID5423549,,0.0,,,,,,0.0,,,,,,,,,
Cc1ccc2c(c1)=NC(=O)/C(=C1/N=C(C(C)(C)C)ON1)C=2,CID5769459,,,,,,0.0,,0.0,,0.0,,,,,,,
CCNc1nc(N2CCOCC2)nc(N(c2ccccc2)c2ccccc2)n1,CID645138,,0.0,,,,,,,,0.0,,,,,,,0.0
Nc1nc(N2CCOCC2)nc(N(c2ccccc2)c2ccccc2)n1,CID709348,,,0.0,,,,,,,,,,,,,,
CN(C)c1nc(N2CCOCC2)nc(N(c2ccccc2)c2ccccc2)n1,CID646369,0.0,,,,,,0.0,,,0.0,,,0.0,,0.0,,
Cc1ccc(NC(=S)Nc2nc(CC(=O)Nc3ccccc3)cs2)cc1,CID1169033,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC(=S)Nc2nc(CC(=O)Nc3ccccc3OC)cs2)cc1,CID3168637,,,,,,0.0,,,,,,,,,,,
COc1ccccc1NC(=O)Cc1csc(NC(=S)Nc2ccccc2)n1,CID1169035,,,,,,0.0,,,,,,,,,,,
O=C(CSc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2)N1CCCC1,CID3241236,0.0,,,,0.0,,0.0,,,,,,,,,,0.0
Cc1ccc(-n2c(SCC(=O)N3CCCC3)nc3c(c2=O)SCC3)cc1,CID2052836,,0.0,0.0,,0.0,,0.0,,,,,,0.0,,,,0.0
O=C(CSc1nc2c(c(=O)n1-c1ccc(Cl)cc1)SCC2)N1CCCC1,CID2052868,,,,,,,0.0,,0.0,,0.0,,0.0,0.0,,,
Cc1c([N+](=O)[O-])c([N+](=O)[O-])nn1CC(=O)N1CCCCC1,CID566403,,,,,,,,,,,,,,0.0,,,
O=C(Cn1ccc([N+](=O)[O-])n1)N1CCCCC1,CID1256547,,,,,,,,,,,,,,,0.0,,
Cc1cc(C(F)(F)F)nn1CC(=O)N1CCCCC1C,CID649724,,,,,,,0.0,,,,,,,,,,0.0
Fc1ccccc1OCCSc1nc2ccccc2o1,CID2256886,,,0.0,,,,0.0,,,,,,,0.0,,0.0,
CCOc1ccc(OCCSc2nc3ccccc3o2)cc1,CID2055620,,,,,,,,,,,,,,0.0,,,
c1ccc(OCCSc2nc3ccccc3o2)cc1,CID2258754,,,,0.0,0.0,,0.0,,,,,,0.0,,,,
COc1ccc([N+](=O)[O-])cc1N(CC(O)CN1CCCC1)S(=O)(=O)c1ccc(C)cc1,CID2915284,,,,,,,,,,,,,,,0.0,,
Cc1ccc(N(CC(O)CN2CCCC2)S(=O)(=O)c2ccccc2)cc1,CID2913944,,,,0.0,,,,,,,,,,,,,
Cc1ccc(S(=O)(=O)N(CC(O)CN2CCCC2)c2ccccc2)cc1,CID645536,,,,0.0,,,,0.0,,,,,,,,,
CCOC(=O)COn1c(=O)c(-c2cccs2)[n+]([O-])c2ccccc21,CID658322,,,0.0,0.0,,0.0,,,0.0,,,,0.0,,,0.0,
CCOn1c(=O)c(-c2cccs2)[n+]([O-])c2ccccc21,CID821135,,,,,,,,,,,,0.0,,,0.0,,
COn1c(=O)c(-c2cccs2)[n+]([O-])c2ccccc21,CID914372,,,,,,,,,,,,,,0.0,0.0,,
CCC12CN3CCN(CC(C3)/C1=N\O)C2,CID834788,,,,0.0,,,,,,,,,,,,,
CC12CN3CCN(C1)CC(C)(C3)C2=NO,CID547482,,,,,,,,,,,,0.0,,,,,
CC(C)CC12CN3CCN(CC(C3)/C1=N\O)C2,CID834799,,0.0,,,,,,,,,,0.0,0.0,,,,
CCC1CCCCN1CCCNC(=O)c1ccc(CS(=O)(=O)Cc2ccccc2F)o1,CID3240388,,,,,,,,0.0,,,,,0.0,,,,0.0
CC1CC(C)CN(CCCNC(=O)c2ccc(CS(=O)(=O)Cc3ccccc3F)o2)C1,CID3237923,,,,,,,,0.0,,,,,,,,,0.0
CC1CCN(CCCNC(=O)c2ccc(CS(=O)(=O)Cc3ccccc3F)o2)CC1,CID3239702,,,,,,,,,,,,,,,,,0.0
CCOC(=O)c1c(C)nc2ncccn12,CID974192,,,,0.0,,,,,,,,,0.0,,,0.0,
CCOC(=O)c1cn2cccnc2n1,CID2759351,,,,,,,,,0.0,,,0.0,,,,,
CCOC(=O)c1c(C(F)(F)F)nc2ncccn12,CID3362760,,,,,,,,,,,,0.0,,,,,
CC(=O)COc1ccc2c3c(c(=O)oc2c1C)CCCCC3,CID890639,0.0,,0.0,,,,,,0.0,,0.0,,,,,,0.0
CC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCCC3,CID662549,,,,,,,,,0.0,,,,,0.0,,,
NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCCC3,CID890163,,,,,0.0,,,,,,,0.0,0.0,,,0.0,
O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(Br)o1,CID822267,0.0,,,,,,0.0,,,,,,,,,,0.0
O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc(Br)o1,CID1227876,,,,,,,0.0,,,,0.0,,,,0.0,0.0,0.0
O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccco1,CID772865,0.0,0.0,0.0,,,0.0,0.0,,,,,,0.0,,,,
O=C1CCC(=O)N1OCCCOc1ccc(Br)cc1Cl,CID2221358,0.0,,,,,,,,,,,,,,,,
O=C1CCC(=O)N1OCCCOc1ccccc1,CID2221444,,,,,,0.0,,,0.0,0.0,,0.0,,0.0,,,
COc1cc(C)ccc1OCCCON1C(=O)CCC1=O,CID2221323,,,,,,,,,0.0,,,,,,,,
COc1ccc(Cl)cc1N/C=C1/C(=O)C=C(C)OC1=O,CID5389249,,,0.0,,,,0.0,,,,,,,,,,
CC1=CC(=O)/C(=C/Nc2cccc(Cl)c2)C(=O)O1,CID5310253,,0.0,,0.0,,,,,0.0,,,,,,,,
CCOc1ccc(N/C=C2/C(=O)C=C(C)OC2=O)cc1,CID5310478,,,,,,,,,,,,,,,0.0,0.0,
CC(=O)N1c2ccccc2N(Cc2ccc(C)cc2C)C(=O)C1(C)C,CID763775,0.0,,0.0,,0.0,0.0,,0.0,,,0.0,,,,,,
CC(=O)N1c2ccccc2N(Cc2ccc([N+](=O)[O-])cc2)C(=O)C1(C)C,CID1420928,,,,,,0.0,,,,,,,,,,,
CC1(C)Nc2ccccc2N(Cc2ccc([N+](=O)[O-])cc2)C1=O,CID763761,,,,,,,,,,,,,,,0.0,,
Cc1ccc(-c2csc3ncn(-n4c(C)ccc4C)c(=O)c23)o1,CID1277395,0.0,,0.0,0.0,0.0,0.0,0.0,0.0,,,,,,0.0,,0.0,
Cc1ccc(-c2csc3nc(C)n(-n4cccc4)c(=O)c23)o1,CID711153,0.0,0.0,,,0.0,,,0.0,,,,,,,,0.0,
Cc1ccc(-c2csc3nc(C)n(-n4c(C)ccc4C)c(=O)c23)o1,CID1537056,0.0,,,,0.0,0.0,,,0.0,,,,,0.0,,,
CC12CCC(C(=O)N(CSC(=S)N/N=C/c3ccccc3Cl)C1=O)C2(C)C,CID9549093,,,,,,,,,,,,,,,0.0,,
CC12CCC(C(=O)N(CSC(=S)N/N=C/c3ccccc3)C1=O)C2(C)C,CID3595200,,,,,,,,,0.0,,,,,,,,
CN(C)c1ccc(/C=N/NC(=S)SCN2C(=O)C3CCC(C)(C2=O)C3(C)C)cc1,CID9549152,,,,,,,,,,,,0.0,,,,,
Cc1ccc(CN2CCN(C(=O)CCN3C(=O)c4ccccc4C3=O)CC2)cc1,CID1373154,0.0,,0.0,,,0.0,,0.0,,,,,,,,,
O=C(CCN1C(=O)c2ccccc2C1=O)N1CCN(Cc2ccccc2)CC1,CID1151087,,,,,,,,,0.0,0.0,,,,,,,
O=C(CCN1C(=O)c2ccccc2C1=O)N1CCN(Cc2ccc(Cl)cc2Cl)CC1,CID1346216,0.0,,,,,,,,,,,,,,,,
COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1cnccn1,CID781457,,,,,,,,,,,,,,,0.0,,
COc1ccc(/C=N/NC(=O)c2cnccn2)cc1O,CID739530,,,,,,,,,,,,,,,0.0,,
O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1cnccn1,CID1586661,,,,,,,,,,,,,,0.0,0.0,,
CCOC(=O)C1CCN(C(=O)Cc2c(C(=O)O)[nH]c3ccccc23)CC1,CID3245215,,0.0,,,,,,,,,,,,,,0.0,
CCOC(=O)C1CCCN(C(=O)Cc2c(C(=O)O)[nH]c3ccccc23)C1,CID3244955,,,0.0,,,,,,,,0.0,,,,,,
CCOC(=O)C1CCN(C(=O)Cc2c(C(=O)O)n(C)c3ccccc23)CC1,CID3241730,,,,,,,,0.0,,,,,,,,,
Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2SCC(=O)NCC2CCCO2)cc1,CID3245211,,,,,0.0,,,,,,,,,,,,
O=C(CSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(Cl)cc1)NCC1CCCO1,CID3244075,,,0.0,,,,,,,,,,,,,,
O=C(CSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccccc1)NCC1CCCO1,CID2976225,,,0.0,,0.0,,,,,,,,,,,,
COc1c2c(nc3ccccc13)OC(C(C)(O)COC(C)=O)C2,CID3107433,,,,,,,0.0,0.0,,,,,,,,0.0,
COc1c2c(nc3ccccc13)OC(C(C)(O)CO)C2,CID442897,,,,,,0.0,,,,0.0,0.0,,,,,,
Cc1c2c(nc3c(C)cccc13)OC(C)C2,CID655331,,,,,,,,0.0,,,,,,,,0.0,
Cc1ccc(C(=O)Nc2ccc3nc(C)sc3c2)s1,CID2467706,,,,,,,,,,0.0,,,,0.0,,,
Cc1nc2ccc(NC(=O)c3ccc(Cl)s3)cc2s1,CID775360,,,,,,,,,0.0,,,,,,0.0,0.0,
Cc1nc2ccc(NC(=O)c3sccc3C)cc2s1,CID2090359,,,,,,0.0,,,,0.0,0.0,,,,,,
CCN(CC(=O)Nc1ccccc1Br)Cc1nc(=O)c2ccccc2[nH]1,CID2461704,,,,,,,,,0.0,,0.0,,,0.0,,,
CN(CC(=O)Nc1ccccc1Br)Cc1nc(=O)c2ccccc2[nH]1,CID2690125,,,,,,,,,,,,0.0,,,,,
Cc1ccc(NC(=O)CN(C)Cc2nc(=O)c3ccccc3[nH]2)c(Br)c1,CID2698170,,,,,,,,,0.0,,,,,,0.0,,
N#CC(=C1CCCC1)c1nc(-c2ccccc2)cs1,CID713364,,,,,,0.0,,,,0.0,,,,,,,
N#CC(=C1CCCC1)c1nc(-c2ccccc2O)cs1,CID649354,,,,,0.0,0.0,0.0,,,,,,,,,,
Cc1ccc(-c2csc(C(C#N)=C3CCCC3)n2)cc1,CID713367,,,,,,,,,0.0,,,,,0.0,,,
COc1ccc(NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)cc1,CID1534391,,,,,,,,,,,,,,,0.0,,
CC(C)C(=O)Nc1cccc(NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)c1,CID1314217,,,,,0.0,,,,,,,,,,,,
COc1cccc(NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)c1,CID1319117,,,,,,,,,,0.0,,,,,,,
C/C(=N\NC(=O)c1c(Cl)cnn1C)c1cccc(NC(=O)C(C)C)c1,CID1020977,,,,,,,,,,,,,,0.0,,,
COc1ccc(/C=N/NC(=O)c2[nH]ncc2Br)c(OC)c1,CID1115368,,,,,,,,,,,,0.0,,,,,
O=C(N/N=C/c1ccccc1)c1[nH]ncc1Br,CID768321,,,,,,,,,,,,,,,0.0,,
CC(C)(C)NC(=O)c1cc(NC(=O)c2ccco2)cc(NC(=O)c2ccco2)c1,CID1370292,0.0,,0.0,,,,,,,0.0,,,0.0,,,,0.0
COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc(Br)o1,CID2213731,,,,,,,,,0.0,,0.0,0.0,,,,,0.0
COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccco1,CID650264,0.0,,,,0.0,,,0.0,0.0,,,,,,,,0.0
Cc1c(C#N)c2ccccc2n1CC(=O)N1CCc2ccccc2C1,CID802043,,0.0,,,,,,0.0,,,,,,,,0.0,
Cc1c(C=O)c2ccccc2n1CC(=O)N1CCc2ccccc2C1,CID802190,,,,,,,,,,,,,,0.0,,,
N#Cc1cn(CC(=O)N2CCc3ccccc3C2)c2ccccc12,CID740804,,,,,,,,,,0.0,,,,,,,
CN(C)C(=O)CN1C(=O)C2CC=C(Cl)CC2C1=O,CID649305,,0.0,,0.0,,,,,,0.0,,,,,0.0,,
CCN(CC)C(=O)CN1C(=O)C2CC=C(Cl)CC2C1=O,CID651654,,,0.0,,,,,,,0.0,,,0.0,,,,
CC1=CC(C)C2C(=O)N(CCCN(C)C)C(=O)C2C1,CID2859057,,0.0,,0.0,,,,0.0,0.0,0.0,,,,,,,0.0
O=c1sc(Nc2ccccc2)nc2ccsc12,CID3239546,,,0.0,,0.0,,,,,,,,,,,,
CCN(c1ccccc1)c1nc2ccsc2c(=O)s1,CID3239036,,,,,0.0,,,,,0.0,,,0.0,,,,
CN(c1ccccc1)c1nc2ccsc2c(=O)s1,CID3243363,,,,,0.0,,,,,,,,,,,,
O=S(=O)(c1ccc(Cl)cc1)N1CCC(N2CCCCCC2)CC1,CID660256,0.0,,,,0.0,,,,,0.0,,,,,,,
O=S(=O)(c1ccccc1)N1CCC(N2CCCCCC2)CC1,CID660410,0.0,,0.0,,0.0,,0.0,0.0,,,0.0,,,,,,
Cc1ccc(S(=O)(=O)N2CCC(N3CCCCCC3)CC2)cc1,CID660376,0.0,0.0,,,,,0.0,,,,,,,,0.0,,
COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CN1CCN(Cc2ccccc2)CC1,CID660252,0.0,,0.0,,,,,,,,,,0.0,,,,
COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCN(Cc2ccccc2)CC1,CID658264,0.0,,,,,,,,,,,,,,,,0.0
CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)C(C)N1CCN(Cc2ccccc2)CC1,CID661818,,,,,,,,,,,,0.0,,,,,
c1ccc2nc3c(nc2c1)c1ccccc1n3CCN1CCOCC1,CID752314,,0.0,,0.0,,,,,,,,0.0,,,0.0,,
Brc1ccc2c(c1)c1nc3ccccc3nc1n2CCN1CCOCC1,CID1526408,0.0,,,,,,0.0,,,,,,,,,,0.0
Cc1ccc2c(c1)c1nc3ccccc3nc1n2CCN1CCOCC1,CID976690,,0.0,0.0,,,,,,,,,,0.0,,,,
NS(=O)(=O)c1ccc(CCNC(=O)CSc2ccccc2)cc1,CID1321007,,,,,,0.0,,,,,,,,,,,
COc1ccc(CCNC(=O)CSc2ccc(Br)cc2)cc1OC,CID2350211,,,,,,,,,,,,,,0.0,,,
NS(=O)(=O)c1ccc(CCNC(=O)CSc2ccc(Cl)cc2)cc1,CID2531282,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCOCC3)C2c2ccccc2)cc1,CID646974,,,,,,0.0,,,,,,,,,,,
O=C(CN1CCOCC1)N1CCN(S(=O)(=O)c2ccccc2)C1c1ccccc1,CID3235814,,,,,,,,0.0,,,,,0.0,,,,0.0
COc1ccc(C2N(C(=O)CN3CCOCC3)CCN2S(=O)(=O)c2ccccc2)cc1,CID3236320,,,,,,,,0.0,,,,,,,,,0.0
CCc1ccc(C(C(=O)NCc2ccc(OC)cc2)N(CCOC)C(=O)Cc2cccs2)cc1,CID3210928,,,,,,0.0,,,,,,,,,,,
COCCN(C(=O)Cc1cccs1)C(C(=O)NCc1ccc(OC)cc1)c1ccc(OC)cc1,CID3210930,,,,,,,,,,,,,,0.0,,,
COCCN(C(=O)Cc1cccs1)C(C(=O)NCc1ccc(OC)cc1)c1ccc(C)cc1,CID3210916,,,,,,,,,,,,,,0.0,,,
O=C(c1ccccc1)N1CCCC(c2ccc(Cl)cc2)=N1,CID1488624,,,,,,0.0,,,,,,,,0.0,,,
Cc1ccc(C(=O)N2CCCC(c3ccccc3)=N2)cc1,CID1484236,,,,,,,,,,,,,,,0.0,,
O=C(c1ccc(Cl)cc1)N1CCCC(c2ccccc2)=N1,CID1484237,,,,,,,,,,,,0.0,,0.0,,,
NC(=O)c1ccsc1NC(=O)C1CCCCC1,CID5310374,,,,,,,,0.0,,,,,,,,,
COC(=O)c1sc(NC(=O)C2CCCCC2C(=O)O)c(C(=O)OC)c1C,CID2930800,,,,,0.0,,,0.0,,,,,,,,0.0,
CCc1c(C)sc(NC(=O)C2CCCCC2C(=O)O)c1C(N)=O,CID3797905,,,0.0,,,,,,,,,,0.0,,,,
Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nc2c(s1)CCCC2,CID1292039,,,,,,0.0,,,,0.0,,0.0,,,0.0,,
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1nc2c(s1)CCCC2,CID1246731,0.0,0.0,0.0,,0.0,,,,,,,0.0,,,,,0.0
Cc1onc(-c2ccccc2)c1C(=O)Nc1nc2c(s1)CCCC2,CID750678,0.0,,,,0.0,,0.0,,,,0.0,,,0.0,,0.0,0.0
O=c1cc(CO)oc(CN2CCN(c3ccccc3)CC2)c1O,CID720194,,,,,0.0,,,0.0,,,,,,,,,0.0
O=c1cc(CO)oc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1O,CID1478125,,,,,,,,,0.0,,,,,0.0,,,
O=c1cc(CO)oc(CN2CCN(c3ccccc3F)CC2)c1O,CID705398,,,,,0.0,,,,,,,,,,,,
C(=N/n1cnnc1)\c1cccc(Oc2ccccc2)c1,CID658653,,,,0.0,,,0.0,,,,,,,,0.0,,
Clc1ccc(Oc2cccc(/C=N/n3cnnc3)c2)cc1,CID2999006,0.0,,,,0.0,,,,0.0,,,,,,,,
Cc1nnc(C)n1/N=C/c1cccc(Oc2ccccc2)c1,CID3242741,0.0,0.0,0.0,,,,,0.0,,,,,,,,,0.0
CCCN1C(=O)/C(=C/c2ccco2)S/C1=N/c1ccc(OC)cc1,CID1813290,,,,,,,,,,,,,,0.0,,,
Cc1ccc(/C=C2\S/C(=N/c3ccc(C(=O)O)cc3)N(C)C2=O)o1,CID1231090,,,,,,,,,,,,,,0.0,,,
COc1ccc(/N=C2/S/C(=C\c3ccc(C)o3)C(=O)N2CC(C)C)cc1,CID1233227,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(c2nnnn2C2CCCCC2)N2CCN(c3ccccc3F)CC2)cc1,CID651386,,,,,,,,,,,,,0.0,,,,
COc1ccc(C(c2nnnn2C2CCCCC2)N2CCN(c3ccc(OC)cc3)CC2)cc1,CID655407,,,0.0,,,,,,,,,,0.0,,,,
COc1ccc(C(c2nnnn2C2CCCCC2)N2CCN(c3ccccc3)CC2)cc1,CID644659,,,,,,,0.0,,,,,,,,,,
CCOc1ccc(C(=O)NC2=C/C(=C3/Nc4ccccc4S3)C(=O)C=C2)cc1Cl,CID5346119,,,,,,0.0,,,,,,,,,,,
CCOc1cc(C(=O)NC2=C/C(=C3/Nc4ccccc4S3)C(=O)C=C2)cc(OCC)c1OCC,CID5346204,,,,,,0.0,,,,,,,,,,,
CCCOc1ccc(C(=O)NC2=C/C(=C3/Nc4ccccc4S3)C(=O)C=C2)cc1,CID5346483,,,,,,0.0,,,,,,,,,,,
Clc1ccc(-n2nnnc2SCc2cn3ccccc3n2)cc1,CID4882951,,,,,,,,,0.0,,,,,,,,
Cc1cccc2nc(CSc3nnnn3-c3ccccc3)cn12,CID658945,,,,,0.0,,,,,,0.0,,,,,0.0,
c1ccc(-n2nnnc2SCc2cn3ccccc3n2)cc1,CID658806,,0.0,0.0,,0.0,,,,,,,,,,,,
Cc1cc(C)n(-c2nc3ccccc3nc2N2CCN(C(=O)c3ccccc3)CC2)n1,CID2236889,,0.0,,,,,0.0,,,0.0,,,,,,,0.0
Cc1cc(C)n(-c2nc3ccccc3nc2N2CCN(C(=O)c3ccc(F)cc3)CC2)n1,CID1251714,,,,,,,0.0,,,,,,,,,0.0,
Cc1cc(C)n(-c2nc3ccccc3nc2N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1,CID1251688,,,,,,,0.0,,,,,,,,,,
Cc1cccc(-c2noc(CCCOc3ccc(Cl)cc3Cl)n2)c1,CID2000517,,,,,,,,,,,,0.0,,,,,
COc1ccc(-c2noc(CCCOc3ccccc3)n2)cc1OC,CID1848820,0.0,,0.0,,,,,,,0.0,,,0.0,,,,
Clc1ccc(-c2noc(CCCOc3ccccc3)n2)cc1,CID1815806,,,,,,0.0,,,,,,,,,,,
Cn1ncc(Br)c1C(=O)Nc1ccc(Cl)cn1,CID3238087,0.0,,,,,,,,0.0,,,,,,,0.0,0.0
Cn1ncc(Cl)c1C(=O)Nc1ccc(Cl)cn1,CID725806,,,,,,,,,0.0,,,,,,,,
CCn1ncc(Br)c1C(=O)Nc1ccc(Cl)cn1,CID892191,0.0,,,,,,,,0.0,,,,,,,0.0,0.0
CCOC(=O)CC1(CC(=O)OCC)NC(=O)c2c(C)sc(C(=O)OCC)c2N1,CID659937,,,0.0,,,,,0.0,,,,,,,,,
CCCCC1(C)NC(=O)c2c(C)sc(C(=O)OCC)c2N1,CID3248765,,,,,,,,,,,0.0,,,,,,
CCOC(=O)CC1(C)NC(=O)c2c(C)sc(C(=O)OCC)c2N1,CID659626,,,,,,,,0.0,,,,,,,0.0,,
COc1ccc(C(=O)CSc2nn3c(=O)c(C(C)(C)C)nnc3s2)cc1,CID659938,0.0,,,,0.0,,,,,0.0,0.0,,,,,,0.0
CC(C)(C)c1nnc2sc(SCC(=O)c3ccccc3)nn2c1=O,CID659724,0.0,0.0,,0.0,0.0,,,,,0.0,,,,,,,
CC(C)(C)c1nnc2sc(SCC(=O)c3ccc(Cl)cc3)nn2c1=O,CID979177,,,,,,,,,,0.0,,,,0.0,,,
Cn1c(=O)c2c(nc(SC3C(=O)CC(C)(C)CC3=O)n2C)n(C)c1=O,CID656225,,,,0.0,,,,0.0,,,,,0.0,,,,0.0
CC(C)n1c(SC2C(=O)CC(C)(C)CC2=O)nc2c1c(=O)n(C)c(=O)n2C,CID647513,,,,0.0,,,,0.0,,,0.0,,,,,,
CCCn1c(SC2C(=O)CC(C)(C)CC2=O)nc2c1c(=O)n(C)c(=O)n2C,CID650285,,,,,,,0.0,,,,,,,,,,0.0
Cc1cc(C)cc(N2CCN(C(=O)N3CCOCC3)CC2)c1,CID656229,,,,,,,0.0,,,,,,,,,,
O=C(N1CCOCC1)N1CCN(c2ccccc2F)CC1,CID831446,,,,,,,,,,0.0,,,,,,,
COc1ccccc1N1CCN(C(=O)N2CCOCC2)CC1,CID791238,,,,,,,,,,,,,,,0.0,,
O=C(NCCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)N2CCCC2)CC1,CID3242081,0.0,,0.0,0.0,0.0,,,,,,,,,,,0.0,0.0
O=C(NCCc1ccccc1)C1CCN(S(=O)(=O)N2CCCC2)CC1,CID3243214,,,0.0,,0.0,,,0.0,,,,,,,,,0.0
Cc1ccc(CCNC(=O)C2CCN(S(=O)(=O)N3CCCC3)CC2)cc1,CID3236510,,,0.0,,0.0,,,,,,,,0.0,,,,0.0
COc1cc(C(=O)Nc2ccc(NC(=O)c3ccco3)nc2)cc(OC)c1OC,CID646757,,,0.0,,,,,,0.0,0.0,,,,,,,
COc1cccc(C(=O)Nc2ccc(NC(=O)c3ccco3)nc2)c1,CID650116,,,,,,,0.0,0.0,,,,0.0,0.0,,,,
COc1cccc(C(=O)Nc2cnc(NC(=O)c3ccco3)cc2C)c1,CID652601,,0.0,0.0,,,,,0.0,0.0,,,0.0,0.0,,,,
COc1ccc(N2CCN(C(=O)CSc3ncnc4c3cnn4-c3ccccc3C)CC2)cc1,CID650886,0.0,,,,,,,,,0.0,0.0,,,,,0.0,
COc1ccc(-n2ncc3c(SCC(=O)N4CCN(c5ccccc5OC)CC4)ncnc32)cc1,CID1445497,,,,,,,,,,,0.0,,,,,,
COc1ccc(N2CCN(C(=O)CSc3ncnc4c3cnn4-c3ccc(OC)cc3)CC2)cc1,CID654294,0.0,,,,,,,,0.0,0.0,0.0,,,,,,0.0
O=C(NCCN1CCOCC1)Nc1ccc(Cl)cc1Cl,CID973540,,,,,,,,,,,,0.0,,,0.0,,
O=C(NCCN1CCOCC1)Nc1ccc(Cl)cc1,CID873825,0.0,,,,,,0.0,,,0.0,,,,,,0.0,0.0
O=C(NCCN1CCOCC1)Nc1ccccc1,CID2166263,,,,,,,,,,,0.0,0.0,,,,,
Cc1nn2c(COc3ccc(NC(=O)c4ccccc4Cl)cc3)nnc2c2ccccc12,CID1511207,,,,,,,,,,,,,,,0.0,,
COc1ccccc1C(=O)Nc1ccc(OCc2nnc3c4ccccc4c(C)nn23)cc1,CID1863091,,,,,,,,,,,,,,,0.0,,
Cc1nn2c(COc3ccc(NC(=O)c4ccccc4)cc3)nnc2c2ccccc12,CID1959316,,,,,,,,,,,,,,,0.0,,
O=c1cc(N2CCN(c3ccc(F)cc3)CC2)[nH]c(=O)n1C1CCCCC1,CID3240644,0.0,,,,,,,0.0,,,,0.0,0.0,,,,
O=c1cc(N2CCN(c3ccccc3)CC2)[nH]c(=O)n1C1CCCCC1,CID3244825,0.0,,,,,,,,,,,,,,,,
O=c1cc(N2CCN(c3cccc(Cl)c3)CC2)[nH]c(=O)n1C1CCCCC1,CID3238389,0.0,,,,,0.0,,,,,,,,,,,
CCOC(=O)N1CCC(NC(=O)C(NC(=O)C2CCCCC2)C(C)C)CC1,CID3240645,,,,,0.0,0.0,,,,,,,,,,,0.0
CCOC(=O)N1CCC(NC(=O)C(CC(C)C)NC(=O)C2CCCCC2)CC1,CID3244566,,,0.0,,,,,,,,,,,,,,
CCOC(=O)N1CCC(NC(=O)C(NC(=O)C2CCC(C)CC2)C(C)CC)CC1,CID9550398,,,,,,,,,,0.0,0.0,,,0.0,,,
COC(=O)c1cc(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)cc([N+](=O)[O-])c1,CID2427661,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)cc1[N+](=O)[O-],CID2335949,,,,,,,,,,,,,,0.0,,,
CN(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)c1,CID3431447,,,,,,,,,,,,,,0.0,,,
O=C(CS(=O)(=O)Cc1ccccc1)Nc1ccccn1,CID2951623,,,0.0,0.0,,,,,,,,,0.0,,,,
Cc1ccnc(NC(=O)CS(=O)(=O)Cc2ccccc2)c1,CID1094082,,,,,,,,,,,,0.0,,,,,
Cc1cccc(NC(=O)CS(=O)(=O)Cc2ccccc2)n1,CID1094087,,,,,,,,,,0.0,,,,,0.0,,
CCOc1ccc(-c2nc(CSCC(=O)N3CCN(C(=O)c4ccco4)CC3)c(C)o2)cc1,CID4175768,,,,,0.0,,,,,,,,,,,,
Cc1ccc(-c2nc(CSCC(=O)N3CCN(C(=O)c4ccco4)CC3)c(C)o2)cc1,CID5309493,,0.0,0.0,,,,,,,,,,,,,,
COc1ccc(-c2nc(CSCC(=O)N3CCN(C(=O)c4ccco4)CC3)c(C)o2)cc1OC,CID5307189,,,,0.0,,,,0.0,,,,,0.0,,,,
N#CC1(c2ccccc2)CCCN1C(=O)c1ccc(Br)cc1,CID2885882,,,,,,,,,0.0,,,0.0,,,,,
N#CC1(c2ccccc2)CCCN1C(=O)c1ccccc1Br,CID2886128,,,,,,,,,0.0,,0.0,0.0,,,,,
COc1ccccc1C(=O)N1CCCC1(C#N)c1ccccc1,CID659881,0.0,,0.0,,,,,,0.0,,,0.0,,,0.0,,
O=S(=O)(c1ccc(Oc2ccc(Br)cc2)cc1)N1CCOCC1,CID1257549,0.0,,,,,,,,0.0,,0.0,,,,,,
O=S(=O)(c1ccc(Oc2ccccc2)cc1)N1CCOCC1,CID796473,,,,,,,,,,,,,,,,0.0,
CCOc1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2N)cc1,CID3833553,,,,,,,,,,,,,,,0.0,,
CCOC(=O)N1CCN(c2nc(C(F)(F)F)nc3c(C)cc(C)cc23)CC1,CID993364,0.0,,,,0.0,,,,,,,,,,,0.0,0.0
CN1CCN(c2ncnc3ccc(Br)cc23)CC1,CID720655,0.0,,,,,,,,0.0,,,,,,,0.0,
CCN1CCN(c2ncnc3ccc(Br)cc23)CC1,CID720660,0.0,,,,,,0.0,,0.0,,,0.0,,,0.0,0.0,0.0
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)Cc2ccccc2F)cc1,CID646228,,,,,,,,0.0,,,,,0.0,,,,0.0
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NCc1ccco1,CID1329446,,,,,,,,,0.0,,0.0,,,,,,
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)Cc2ccc(F)cc2)cc1,CID1073044,,,,,,,,,,,,,0.0,,,,
CC(=O)Oc1cccc(C(=O)Nc2cccc(C(=O)c3cccc(C)c3C)c2)c1,CID1369179,,,,,,0.0,,,,,,,,,,,
COc1cccc(OC)c1C(=O)Nc1cccc(C(=O)c2ccccc2)c1,CID3818798,,,,,,0.0,,,,,,,,,,,
CCC(=O)Oc1ccc(C(=O)Nc2cccc(C(=O)c3ccccc3)c2)cc1,CID2204351,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(OCC(=O)N2CCN(C(=O)COc3ccccc3)CC2)cc1,CID1074709,,,,,,,0.0,,0.0,,,,,,,,
COc1ccc(OCC(=O)N2CCN(C(=O)COc3ccc(Br)cc3)CC2)cc1,CID3244473,0.0,,,,,,,,,,,,,,,,
CCC(Oc1ccccc1)C(=O)N1CCN(C(=O)C(CC)Oc2ccccc2)CC1,CID2852913,,,,,,,,,,0.0,,,,,,,
COc1ccc(CNC(=O)CSc2nc3nc(C)cc(C)n3n2)cc1,CID2302373,,,0.0,0.0,,,,,0.0,0.0,0.0,,0.0,,,,
COc1ccccc1CNC(=O)CSc1nc2nc(C)cc(C)n2n1,CID2302374,,,0.0,,,,,,0.0,,0.0,,,,,0.0,
Cc1cc(C)n2nc(SCC(=O)N(C)Cc3ccccc3)nc2n1,CID1503259,,,,,0.0,,,0.0,,,,,0.0,,,,
O=C(CN1CCN(CCC(=O)Nc2ccccc2F)CC1)Nc1ccc(Cl)cc1,CID3238046,0.0,,,,,,,,,,,,,,,0.0,0.0
O=C(CCN1CCN(CC(=O)Nc2ccccc2Cl)CC1)Nc1ccccc1F,CID3238821,0.0,0.0,0.0,,,,,,,,,,,,,0.0,0.0
O=C(CCN1CCN(CC(=O)Nc2ccccc2F)CC1)Nc1ccccc1F,CID3237425,0.0,,0.0,,,,,,,,,,,,,,
COc1ccc(Nc2nc(N)nc(CN3CCN(c4ccccn4)CC3)n2)cc1,CID2981336,,,0.0,,,,,,,,,,,,,,
Nc1nc(CN2CCN(c3ccccn3)CC2)nc(Nc2ccc(F)cc2)n1,CID666801,,,,,,,0.0,,,,,,,,,,
Cc1ccccc1Nc1nc(N)nc(CN2CCN(c3ccccn3)CC2)n1,CID1259207,,,,,,,0.0,,,,,0.0,,,,0.0,
Fc1ccc(N2CCN(Cc3cnc(Oc4ccc(Br)cc4)s3)CC2)cc1,CID1482779,,,,,,,,,0.0,,0.0,,,,,,
Cc1cc(Cl)ccc1Oc1ncc(CN2CCN(c3ccccc3)CC2)s1,CID1482776,,,,,,,,,,0.0,,,,,,,
Brc1ccc(Oc2ncc(CN3CCN(c4ccccc4)CC3)s2)cc1,CID1489304,,,,,,,,,0.0,,0.0,,,,,,
Cc1ccc(OCCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1,CID1259711,,,,,,,,,0.0,0.0,,0.0,0.0,,,,0.0
Cc1cccc(OCCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1,CID2081086,0.0,,0.0,0.0,,,,,0.0,0.0,0.0,0.0,,,,,0.0
Cc1ccccc1OCCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O,CID2085246,0.0,0.0,0.0,,,,0.0,0.0,0.0,0.0,0.0,0.0,,,,0.0,0.0
CCOc1ccc2[nH]c(C)c(CN3CCOCC3)c(=O)c2c1,CID797776,0.0,0.0,,0.0,,,,,,,,0.0,0.0,,,,0.0
Cc1ccc2[nH]c(C)c(CN3CC(C)OC(C)C3)c(=O)c2c1,CID2887663,,,,,,0.0,,,,,,,,,,,
Cc1[nH]c2ccc(Br)cc2c(=O)c1CN1CCOCC1,CID660316,0.0,,,,,,0.0,,,,,,,,,0.0,0.0
C/C(NCCCN1CCOCC1)=C1/C(=O)NC(=O)N(c2ccccc2C)C1=O,CID5389590,,,,,,,,,,,,,0.0,,,,
Cc1cccc(N2C(=O)NC(=O)/C(=C/NCCCN3CCOCC3)C2=O)c1C,CID5389848,,,,,,,0.0,,,,,,,,,,0.0
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\NCCCN1CCOCC1,CID5389520,,,,,,,,,,,,,0.0,,0.0,,0.0
CC(/N=c1\ccccn1C(=O)Nc1ccc(Cl)cc1)c1ccco1,CID2999755,0.0,,,,0.0,,0.0,,,,,,,,0.0,0.0,0.0
CC(/N=c1\ccccn1C(=O)Nc1cccc(C(F)(F)F)c1)c1ccco1,CID4690324,,,,,,,,,,,,,,0.0,,,
CC(/N=c1\ccccn1C(=O)Nc1ccc(F)cc1)c1ccco1,CID2998448,,,,0.0,,,,,,0.0,,0.0,,,,,
N#Cc1nc(-c2ccc(OCc3ccccc3)cc2)oc1NCCCn1ccnc1,CID664729,0.0,,,,,,0.0,,,,,0.0,,,0.0,,0.0
N#Cc1nc(-c2ccc(OCc3ccc(Cl)cc3)cc2)oc1NCCCn1ccnc1,CID664765,0.0,,,0.0,,0.0,,,,,,,,,,,
N#Cc1nc(-c2ccc(OCc3ccccc3Cl)cc2)oc1NCCCn1ccnc1,CID664522,0.0,,0.0,0.0,,,,,,,,,,,,,
Cc1ccc(C(=O)N/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)NC(C)C)cc1,CID1915584,,,,,,0.0,,,,,,0.0,,,,,
COc1ccc(C(=O)N/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N(C)C)cc1,CID5349562,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(=O)N/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)NC(C)C)cc1,CID2131902,,,,,,0.0,,,,,,,,,,,
O=C(NCCCN1CCOCC1)c1cc2ccccc2oc1=O,CID649393,0.0,,,,0.0,,0.0,0.0,,,,,0.0,,,,
O=C(NCCCN1CCOCC1)c1cc2cc(Cl)cc(Cl)c2oc1=O,CID2257914,,,,,,,0.0,,,,,,0.0,,,,
O=C(NCCCN1CCOCC1)c1cc2cc(Br)ccc2oc1=O,CID3242704,0.0,,,,,,,,0.0,,0.0,,,,,0.0,0.0
COc1ccc(S(=O)(=O)n2oc(=O)cc2-c2ccccc2)cc1OC,CID1474666,,,,,,,,,0.0,0.0,,,,,,,
O=c1cc(-c2ccccc2)n(S(=O)(=O)c2ccccc2)o1,CID1490213,,,,,,,,,0.0,0.0,,0.0,,0.0,,,
COc1ccc(S(=O)(=O)n2oc(=O)cc2-c2ccccc2)cc1,CID1474667,,,,,,,,,0.0,,,,,,0.0,,
CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)C1C(C)C,CID651253,,0.0,,0.0,,,,,0.0,,,,0.0,,,,
Cc1ccc(S(=O)(=O)N2CCN(S(C)(=O)=O)C2)cc1,CID3237602,,,,0.0,0.0,,,,,,,,,,,,
CCC(=O)N1CN(S(=O)(=O)c2ccc(C)cc2)CC1C,CID647061,,,,0.0,,,0.0,0.0,,0.0,0.0,,,,0.0,,
Cc1ccc(C(CC(=O)NCc2ccco2)c2ccccc2)c(O)c1,CID2946197,,,,,,,,,,,0.0,,,,,,
O=C(CC(c1ccccc1)c1cc(Br)ccc1O)NCc1ccco1,CID2947015,0.0,,,,,,,,,,0.0,,,,,0.0,0.0
CC(C)Oc1ccc(C(CC(=O)NCc2ccco2)c2ccccc2)cc1,CID2964479,,,,,,,,,,,,0.0,,,,,
CN(C(=O)COC(=O)c1ccc(Cl)cc1N)C1CCS(=O)(=O)C1,CID3347965,,,,,,,,,,,,0.0,,,,,
Cc1ccc(C(=O)OCC(=O)N(C)C2CCS(=O)(=O)C2)cc1[N+](=O)[O-],CID3453201,,,,,,,,,,,,,,,0.0,,
CCN(C(=O)COC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])C1CCS(=O)(=O)C1,CID4663991,,,,,,,,,,,,,,0.0,,,
O=C(CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NCCc1ccccc1,CID649170,,,,,0.0,,,,,,,,,,,,
COc1ccc(CCNC(=O)CCSc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1,CID653761,0.0,,,,0.0,,,,,,,,0.0,,,,0.0
COc1ccc(CCNC(=O)CCSc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1OC,CID1164796,0.0,,,,0.0,,,,,,,,,,,,0.0
CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(COCC(=O)O)oc2cc1OC(=O)C(C)(C)C,CID1325504,,,,,,,,,,,0.0,,,,,,
CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C)oc2c(CN(CC)CC)c1O,CID1286959,,,,,,0.0,,,0.0,,,0.0,,,,,
CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(COCC(=O)O)oc2cc1O,CID5310745,,,,,,,,0.0,,,,,,,,,
Cc1ccc(C(=O)N/C(=C/c2cccs2)C(=O)N2CCCCCC2)cc1,CID1914632,,,,,,0.0,,,,,,,,,,,
O=C(N/C(=C\c1cccs1)C(=O)N1CCCCCC1)c1ccccc1,CID1924898,,,,,,0.0,,,,0.0,,,,,,,
O=C(N/C(=C/c1cccs1)C(=O)N1CCCCCC1)c1ccccc1,CID1100442,,,,,,,,,,,,0.0,,,,,
Nc1c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc2n1Cc1ccccc1,CID2021006,,,,,,,,,0.0,,,,,,,,
COc1ccc(Cn2c(N)c(S(=O)(=O)c3cccs3)c3nc4ccccc4nc32)cc1,CID1996373,,,,,,0.0,,,,,,,,,,,
Cc1ccc(Cn2c(N)c(S(=O)(=O)c3cccs3)c3nc4ccccc4nc32)cc1,CID2012798,,,,,,,,,,,,,,,0.0,,
O=C1CC(c2ccccc2)Cc2nc3nc(C(F)(F)F)nn3cc21,CID3161781,,,,,,,,,0.0,,,,,,,,
CSc1nc2nc3c(cn2n1)C(=O)CC(c1ccccc1)C3,CID3161782,,,,,,,,,,,0.0,,,,,,
Cc1nc2nc3c(cn2n1)C(=O)CC(c1ccccc1)C3,CID666897,,,0.0,0.0,,,,,,,,0.0,,,,,
Cc1cc(=O)nc(SCC(=O)Nc2nc(-c3ccccc3)cs2)[nH]1,CID1251920,0.0,0.0,0.0,0.0,0.0,,,,0.0,0.0,,,0.0,0.0,,0.0,
Cc1ccc(-c2csc(NC(=O)CSc3nc(=O)cc(C)[nH]3)n2)cc1,CID1294476,,,,,,0.0,,,,0.0,0.0,,,,,,
CCC(Sc1nc(=O)cc(C)[nH]1)C(=O)Nc1nc(-c2ccccc2)cs1,CID2925109,,,,,,,,,0.0,,,,,0.0,0.0,,
CCC(C)NC(=O)c1ccc(-n2c(=S)[nH]c3ccccc3c2=O)cc1,CID4098321,,,,,,,,,,,,,,0.0,,,
O=c1c2cc(Br)ccc2[nH]c(=S)n1-c1ccccc1,CID786570,,,,,,,,,,,,,,0.0,,,
O=c1c2ccccc2[nH]c(=S)n1-c1ccc(Br)cc1,CID767296,,,,,,,,,,,,,,0.0,,,
CCC1Oc2ccc(C)cc2N(CC(=O)NCCCN2CCCCC2CC)C1=O,CID3238511,,,0.0,,,,,,,,,,0.0,,,,
CCC1Oc2ccccc2N(CC(=O)NCCCN2CCCCC2C)C1=O,CID3240164,,,0.0,,0.0,,,,,,,,,,,,
CCC1Oc2ccccc2N(CC(=O)NCCCN2CCC(C)CC2)C1=O,CID3240763,,,,,0.0,,,,,0.0,,,0.0,,,,
CCOC(=O)c1[nH]cnc1C(=O)Nc1ccccn1,CID604410,,0.0,,0.0,,,,,0.0,,,,,,0.0,,
CNC(=O)c1[nH]cnc1C(=O)Nc1ccccn1,CID851158,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1[nH]cnc1C(=O)Nc1cccc(N)n1,CID2362837,,,,0.0,,,,,,,,,,,,,
CCOC(=O)C1CCN(C(=O)c2cccnc2Cl)CC1,CID2410954,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C1CCCN(C(=O)c2cncc(Br)c2)C1,CID2998450,0.0,,,,,,,,0.0,,,,,,,,
CCOC(=O)C1CCN(C(=O)c2cccnc2)CC1,CID2303084,,,,,,0.0,0.0,,,,,,0.0,,,,
C/C(NCC1CCCO1)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O,CID5389692,,,,,,,,0.0,,,,,,,,0.0,
CC/C(NCC1CCCO1)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O,CID5389640,,,,,,,,,,,,,,0.0,,,
O=C1NC(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/NCC1CCCO1,CID5389728,,,,,,,,0.0,,,,,,,,,
Cc1ccccc1-n1nc(C)c2cc(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)sc21,CID663405,,,0.0,0.0,,,,,,0.0,0.0,,,,,,
Cc1ccccc1-n1nc(C)c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)sc21,CID663589,,,0.0,,0.0,,,,,,0.0,,0.0,,,,
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4c(C)nn(-c5ccccc5C)c4s3)CC2)cc1,CID2006037,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1c(-c2ccco2)csc1NC(=O)CSc1nnc(N)s1,CID2488755,,,,,,,,,0.0,,,,,,,,
CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)CSc1nncs1,CID2507705,,,,,0.0,,,,0.0,0.0,,,,,,,
CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)CSc1nnc(C)s1,CID2507290,,,,,0.0,,,,0.0,,,,,,,,
CCOc1ccc(CC2C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1,CID585034,,,,,,,,,,,0.0,,,,,,
COc1ccc(CC2C(=O)NC(=O)N(c3ccccc3)C2=O)c(OC)c1,CID2921452,,,,,,0.0,0.0,,,0.0,,,,,0.0,,0.0
CCc1ccc(N2C(=O)NC(=O)C(Cc3ccc(OC)cc3OC)C2=O)cc1,CID592024,,,,,,,,,0.0,0.0,,,,,,,
O=C1N=C(N2CCCC2)S/C1=C\c1ccccc1,CID692025,,,,,,,,,,,,,,,0.0,,
O=C1N=C(N2CCCC2)S/C1=C\c1cccc(Br)c1,CID692468,,,,,,,,,0.0,,,,,,0.0,,
C/C(=C1/SC(N2CCCC2)=NC1=O)c1ccc(Br)cc1,CID3243424,,,,,,,,,,,,,,,,0.0,0.0
COc1ccc(Cn2c(C)nc3c(c2=O)c2nc4ccccc4nc2n3Cc2ccco2)cc1,CID659878,0.0,,,,,,,,,,,,,,,,
Cc1ccc(Cn2c(C)nc3c(c2=O)c2nc4ccccc4nc2n3Cc2ccco2)cc1,CID661849,0.0,,0.0,,,,,,,,,,,,0.0,,
Cc1nc2c(c(=O)n1Cc1ccccc1Cl)c1nc3ccccc3nc1n2Cc1ccco1,CID661874,0.0,,,,,,,,,,,,0.0,,,,
O=C(NCC(=O)N(Cc1ccc(F)cc1)C(C(=O)NC1CCCC1)c1ccco1)c1ccco1,CID650933,,,0.0,,,,0.0,0.0,,,,,,,,,
COc1ccc(CN(C(=O)CNC(=O)c2ccco2)C(C(=O)NC2CCCC2)c2ccco2)cc1,CID654587,,0.0,,,,,,0.0,0.0,0.0,,,,,,,
O=C(NCC(=O)N(Cc1ccccc1)C(C(=O)NC1CCCC1)c1ccco1)c1ccco1,CID647698,,,0.0,,,,0.0,0.0,0.0,,,,,,,,
COc1ccccc1N1CCN(C(c2cc3cc(C)ccc3[nH]c2=O)c2nnnn2C2CCCC2)CC1,CID650939,,,,,,,,,,0.0,,,,,,,
COc1ccc(N2CCN(C(c3cc4ccc(C)cc4[nH]c3=O)c3nnnn3C3CCCC3)CC2)cc1,CID649220,,,,,,,,,,0.0,,,0.0,,,,
COc1ccccc1N1CCN(C(c2cc3ccc(C)cc3[nH]c2=O)c2nnnn2C2CCCC2)CC1,CID647828,,,,,,,0.0,,,0.0,,,,,,,
O=C(NCc1n[nH]c(=S)n1-c1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1,CID3242040,,,,,0.0,,,,0.0,,,,,,,,0.0
COc1ccc(-n2c(CNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)n[nH]c2=S)cc1,CID3236473,,0.0,,0.0,0.0,0.0,,,,,,0.0,,,,,
Cc1cccc(-n2c(CNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)n[nH]c2=S)c1,CID3244845,,,,,,,,,,,,,,,,0.0,
Cc1ccc(C)c(N2CCN(C(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3F)CC2)c1,CID3242046,,,,,,,,,0.0,,,,,,,,0.0
O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCN(c2ccc(F)cc2)CC1,CID1298674,,,,,,,,,0.0,,,,,,,,
Cc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1S(=O)(=O)N1CCOCC1,CID2226294,,,,,,,,,,,,,,0.0,,,
O=C(C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N(Cc1cccs1)C1CC1,CID656260,,,0.0,,,,,,,,,,,,,,
Cc1ccc(S(=O)(=O)N2CCCC(C(=O)N(Cc3cccs3)C3CC3)C2)cc1,CID655345,,,,,,0.0,,,,,0.0,,0.0,,,,
O=C(C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N(Cc1cccs1)C1CC1,CID651362,,,0.0,,0.0,,,,,0.0,0.0,,0.0,,,,
Cn1cc(C(=O)N/N=C/C(Br)=C\c2ccccc2)ccc1=O,CID1626003,,,,,,,,,,,,,,,0.0,,
Cn1cc(C(=O)N/N=C/C=C/c2ccccc2)ccc1=O,CID2246652,,,,,,,,,,,,,,,0.0,,
COc1ccccc1/C=C/C=N/NC(=O)c1ccc(=O)n(C)c1,CID12004740,,,,,,,,,,,,,,,0.0,,
Cn1c(=O)c2nc(-c3ccc(Cl)cc3Cl)oc2c2ccccc21,CID2785463,0.0,,,,,,0.0,,,,,,,,,,
Cc1ccc(-c2nc3c(=O)n(C)c4ccccc4c3o2)cc1,CID3235869,0.0,,,,0.0,0.0,0.0,,0.0,,,,,,,,
Cn1c(=O)c2nc(-c3ccccc3)oc2c2ccccc21,CID2786572,0.0,,,,0.0,0.0,,,0.0,,,,,,,,
CCOC(=O)C1CCCN(C(c2ccccn2)c2c(C)[nH]c3ccccc23)C1,CID3370345,,,,,,,,,,,,,,,0.0,,
Cc1[nH]c2ccccc2c1C(c1ccccn1)N1CCC(C)CC1,CID4062061,,,,,,,,,,,0.0,,,0.0,,,
Cc1[nH]c2ccccc2c1C(c1ccccn1)N1CCC(C(N)=O)CC1,CID3000162,0.0,,,,,,,0.0,0.0,,,,,,0.0,0.0,
COc1ccc(/C=N/n2cnc3scc(-c4cccs4)c3c2=O)cc1OC,CID1045338,,,,,,,,,,,,,,0.0,,,
COc1cc(/C=N/n2cnc3scc(-c4cccs4)c3c2=O)cc(OC)c1OC,CID1190250,,,,,,,,,,,,,,0.0,,,
O=C(O)COc1ccc(/C=N/n2cnc3scc(-c4cccs4)c3c2=O)cc1,CID2552605,,,,,,,,,,,,,,0.0,,,
CC1=CC(C)(C)N(C(=O)CSc2nnc(N)s2)c2cc(C)c(C)cc21,CID1319970,,,,,,0.0,,,,,,,,,,,
CC1=CC(C)(C)N(C(=O)CSc2nnc(N)s2)c2ccccc21,CID845793,,,,,,,,,,,,,,0.0,,,
CC1=CC(C)(C)N(C(=O)CSc2nnc(N)s2)c2c(C)cc(C)cc21,CID1260099,,,,,,0.0,,,,,,,,,,,
Cc1cc2ncn(-c3ncnc4sc5c(c34)CCCC5)c2cc1C,CID705301,,,,,,,,,0.0,,,,,,,,
c1ccc2c(c1)ncn2-c1ncnc2sc3c(c12)CCCC3,CID832425,,,,,,,,,0.0,,,,,,0.0,,
Cc1cc2ncn(-c3ncnc4sc5c(c34)CCC(C)C5)c2cc1C,CID4343049,,,,,,0.0,,,,,,,,,,,
COc1cccc(Cn2c(C3CC3)nc3ccc(NC(=O)c4ccco4)cc3c2=O)c1,CID645510,0.0,,,,0.0,,0.0,,0.0,0.0,,0.0,,,,,
COc1ccc(Cn2c(C3CC3)nc3ccc(NC(=O)c4ccco4)cc3c2=O)cc1,CID647096,0.0,,0.0,,0.0,0.0,,0.0,0.0,0.0,,,0.0,,,,0.0
O=C(Nc1ccc2nc(C3CC3)n(Cc3ccc(F)cc3)c(=O)c2c1)c1ccco1,CID646390,,,,0.0,,0.0,,0.0,,0.0,,0.0,,,,,
CNC(=O)CSc1nnc(-c2cccnc2)n1CCc1ccccc1,CID645512,0.0,0.0,,0.0,0.0,,,,,,0.0,,,,0.0,,
CCN(CC)C(=O)CSc1nnc(-c2cccnc2)n1CCc1ccccc1,CID650997,0.0,0.0,,,0.0,,0.0,,,,0.0,,,,,0.0,0.0
NC(=O)CSc1nnc(-c2cccnc2)n1CCc1ccccc1,CID654099,,0.0,,0.0,,,,0.0,,0.0,0.0,,0.0,,0.0,,
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCOCC1,CID645516,,,0.0,,,,,,,,,0.0,,,,,
O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCOCC1,CID743019,,,0.0,,,,,0.0,,0.0,,,,,,,
CC1CN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC(C)O1,CID2997976,,0.0,,0.0,,,,0.0,,,,,,,,0.0,
Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(S(=O)(=O)N4CCOCC4)cc2)CSC3)c(C)c1,CID3242594,,,0.0,0.0,0.0,,,,,,0.0,,,,,0.0,0.0
O=C(Nc1c2c(nn1-c1ccc(F)cc1)CSC2)c1ccc(S(=O)(=O)N2CCOCC2)cc1,CID3244628,,0.0,,,0.0,,,,,,,0.0,,,,,0.0
Cc1cccc(-n2nc3c(c2NC(=O)c2ccc(S(=O)(=O)N4CCOCC4)cc2)CSC3)c1C,CID3238576,,,,,0.0,,,,,0.0,,,,,,0.0,0.0
CCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)sc2nc(-c4ccc(OC)cc4)cn23)CC1,CID3235854,0.0,,,,,,,,,,,,,0.0,,,
CCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)sc2nc(-c4ccccc4)cn23)CC1,CID3236504,0.0,,,,,,,,,,,,0.0,,,,
CCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)sc2nc(-c4cccc(OC)c4)cn23)CC1,CID3237734,0.0,,,,,,,,,,,,,,,,0.0
O=C(Nc1ccc2c(c1)OCO2)c1ccc(Cl)nc1,CID2081675,,,,,,,,,,0.0,,0.0,,0.0,,,
CCOc1ncccc1C(=O)Nc1ccc2c(c1)OCO2,CID2471206,,,,,,,,,,,,,,0.0,,,
O=C(Nc1ccc2c(c1)OCO2)c1cncc(Br)c1,CID659924,0.0,,,,,,,,,,,0.0,,,,,
O=C(CCSc1nnc2ccccn12)Nc1ccc(F)cc1,CID3246764,0.0,,,,0.0,,,0.0,,,,,,,,0.0,
Cc1ccc(NC(=O)CCSc2nnc3ccccn23)cc1,CID2937147,,,,,,,,,,0.0,,,,,,,
CC(C)(C)c1cc(NC(=O)CCSc2nnc3ccccn23)cc(C(C)(C)C)c1,CID983889,,,,,,,,,,,0.0,,,,,,
CCOC(=O)c1c(C)[nH]c(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)c1C,CID2529074,0.0,,0.0,0.0,,,,,,,,,0.0,,,,
CCOC(=O)c1c(C)[nH]c(C(=O)Cn2nnc(-c3ccccc3)n2)c1C,CID2083812,,,,0.0,,,,,,0.0,,,,,,,0.0
CCOC(=O)c1c(C)[nH]c(C(=O)Cn2nnc(-c3ccccc3Cl)n2)c1C,CID2090232,0.0,,0.0,,,,,,,,,,0.0,,,,
Cc1cccc(NC(=O)C2NC(=O)CC2c2ccccc2)c1C,CID6618835,,,,,,,,,,,0.0,,,,,,
O=C1CC(c2ccccc2)C(C(=O)Nc2ccccc2F)N1,CID5308086,,,,,,,0.0,,,,,,,,,,
Cc1c(Cl)cccc1NC(=O)C1NC(=O)CC1c1ccccc1,CID6621837,,,,,,0.0,,,,,,,,,,,
Nc1c(-c2ccccc2)c(CN2CCOCC2)nn1-c1ccccc1,CID2322230,,,,,,,,,,,,,,0.0,,,
Nc1c(-c2ccccc2)c(CN2CCOCC2)nn1-c1ccc(F)cc1,CID2336530,,,,,,,,,,,,,,0.0,,,
Nc1c(-c2ccccc2)c(CN2CCOCC2)nn1-c1cccc([N+](=O)[O-])c1,CID2391336,,,,,,,,,,,,,,0.0,,,
Cc1ccsc1/C=N/N1CCN(Cc2ccccc2)CC1,CID870049,,,,,,,,,,,,,,0.0,,,
Cc1ccc(/C=N/N2CCN(Cc3ccccc3)CC2)s1,CID887140,,,,,,,,,,,,,,,0.0,,
Cc1ccc(CN2CCN(/N=C/c3ccc(C)s3)CC2)c(C)c1,CID879229,,,,,,,,,,,,,,,0.0,,
Cc1ccc2c(CN3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)cc(=O)oc2c1C,CID2086329,,,0.0,,0.0,0.0,,,,,0.0,,,,,,
Cc1cc2oc(=O)cc(CN3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)c2cc1C,CID2125062,,,,,0.0,,,,,,,,,0.0,,,
CCc1ccc2c(CN3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)cc(=O)oc2c1,CID2127128,,,,,0.0,,,,,,,0.0,,,,,
O=C(NCc1ccco1)c1ccc(-c2ccccc2Cl)o1,CID1084408,,,,,,,,,,,,,,0.0,,,
O=C(NCc1ccco1)c1ccc(-c2ccc(Cl)cc2)o1,CID1084412,,,,,,,,,,,,,,0.0,,,
O=C(NCc1ccco1)c1ccc(-c2cccc(Cl)c2)o1,CID944598,,,,,,,,,,,,,,0.0,,,
Oc1ccc(CNCC2COc3ccccc3O2)cc1,CID2861840,,,,,,0.0,,,,,,,,,,,
CC(NCc1ccccc1)C1COc2ccccc2O1,CID541836,,,,,,0.0,,,,0.0,,,,,,,
c1ccc(CNCC2COc3ccccc3O2)cc1,CID2852555,,,,,,,,,,0.0,0.0,,,,,,
Cc1ccc(C(=O)NCCCn2ccnc2)o1,CID2885920,,0.0,,0.0,,,,,0.0,,,0.0,0.0,,,0.0,
O=C(NCCCn1ccnc1)c1ccco1,CID3246788,,0.0,,,,,,,,,,,,,,,
O=C(NCCCn1ccnc1)c1ccc(Br)o1,CID2862775,,,,,,,,,0.0,,,0.0,,,,,
Cc1ccc(S(=O)(=O)N/N=C/c2cccnc2)cc1,CID319544,,,,,,,,,,,,,,,0.0,,
C/C(=N\NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccnc1,CID4087221,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C)c(S(=O)(=O)N/N=C/c2cccnc2)c1,CID2511000,,,,,,,,,,,,,,,0.0,,
CCCCCn1c(=O)[nH]c2c(c1=O)CCC2,CID2055081,,,,,,,,,,,,,,,,0.0,
CC(C)(C)n1c(=O)[nH]c2c(c1=O)CCC2,CID854259,,,,,,,,,,,,,,,,0.0,
CCC(C)(C)n1c(=O)[nH]c2c(c1=O)CCC2,CID694197,,0.0,,0.0,,,0.0,,,0.0,,,,,,,
CCc1ccc2c(COC(=O)c3n[nH]c4ccccc34)cc(=O)oc2c1,CID2998329,0.0,,0.0,,,,,,0.0,,,,,,,,
Cc1ccc2c(COC(=O)c3n[nH]c4ccccc34)cc(=O)oc2c1,CID2561495,,,,,,,,0.0,,0.0,,,,,,0.0,0.0
Cc1cc2oc(=O)cc(COC(=O)c3n[nH]c4ccccc34)c2cc1C,CID2448632,,,,,,,,,0.0,,1.0,,,,,,
O=C(NCC1CCCO1)c1nc2n(Cc3ccccc3Cl)[nH]nc-2c(=O)n1,CID3227703,,,,,,,,,,,,0.0,,,,,
O=C(NCC1CCCO1)c1nc2n(Cc3ccc(F)cc3)[nH]nc-2c(=O)n1,CID654422,,,,,,,0.0,,,,,,,,,,
Cc1ccc(C)c(Cn2[nH]nc3c(=O)nc(C(=O)NCC4CCCO4)nc2-3)c1,CID648424,,0.0,0.0,0.0,,,,,,,0.0,,,,,,
O=C(CC1SC(N2CCCCC2)=NC1=O)Nc1cccc(C(=O)O)c1,CID2999097,0.0,,,,0.0,,0.0,0.0,0.0,,,,,,,0.0,
CC(=O)c1cccc(NC(=O)CC2SC(N3CCCCC3)=NC2=O)c1,CID2999861,,0.0,,,0.0,,0.0,0.0,,,0.0,,0.0,,,0.0,
O=C(CC1SC(N2CCCCC2)=NC1=O)Nc1cccc(C(F)(F)F)c1,CID3886672,,,,,,,,,,,,,,0.0,,,
COc1ccc2nc(SCC(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)c(C#N)cc2c1,CID644935,,,0.0,,0.0,,,,,,,,,,,0.0,
Cc1cc(C)c2nc(SCC(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)c(C)cc2c1,CID1176164,,,,,,,,,,0.0,0.0,,,,,,
N#Cc1cc2ccccc2nc1SCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1,CID652021,0.0,0.0,0.0,0.0,0.0,0.0,0.0,,,,,,0.0,,,,0.0
COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCOCC3)cc2)cc1,CID1091454,,,,,,,,,,0.0,0.0,,,,,,
O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)N1CCOCC1,CID2238188,,,,,,,,0.0,,,,,,,,0.0,
Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)N3CCOCC3)cc2)c1,CID1261140,,,0.0,0.0,,,,,,,0.0,,,,,0.0,
CCOc1ccc(-n2c(SCC(N)=O)nc3c([nH]c4ccccc43)c2=O)cc1,CID2156188,,,,,0.0,0.0,,,,0.0,0.0,,,0.0,,,
COc1cccc(-n2c(SCC(N)=O)nc3c([nH]c4ccccc43)c2=O)c1,CID3235685,,,0.0,,0.0,,,,,,,,0.0,0.0,,,
Cc1ccc(-n2c(SCC(N)=O)nc3c([nH]c4ccccc43)c2=O)cc1,CID4070446,,,,,,,,,,0.0,,,,,,,
O=C(Nc1ccccc1-c1ccccc1)c1ccco1,CID967187,0.0,,0.0,0.0,,,,0.0,,,0.0,,0.0,,,,
O=C(Nc1ccccc1-c1ccccc1)c1ccc(Br)o1,CID2183264,,,,,,,,,0.0,,,0.0,,,,,
Cc1ccc(C(=O)Nc2ccccc2-c2ccccc2)o1,CID2088886,,,,,,,,,,,0.0,,,,,,
Clc1ccc(CSc2cn3c(n2)CCC3)cc1,CID759935,0.0,0.0,,,,,,,,0.0,,,,,,,
Clc1ccccc1CSc1cn2c(n1)CCC2,CID870163,,0.0,,,,,,,,0.0,,,0.0,,,,
c1ccc(CSc2cn3c(n2)CCC3)cc1,CID788156,,,,,0.0,,,,,,,,0.0,,,,
CCc1nnc(NC(=O)CSc2nnc(COc3ccc(C)cc3)n2-c2ccccc2)s1,CID651199,,0.0,0.0,,,,,,,,,0.0,,,,,0.0
CCc1nnc(NC(=O)CSc2nnc(COc3ccccc3)n2-c2ccc(C)cc2)s1,CID645998,,,0.0,0.0,,0.0,,,,,,0.0,,,,,0.0
CCc1nnc(NC(=O)CSc2nnc(COc3ccc(C#N)cc3)n2-c2ccccc2)s1,CID656180,,,,0.0,,0.0,,,,,0.0,0.0,0.0,,,,
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1OC,CID649069,,,,,0.0,,,,,,,,,0.0,,,
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1,CID1375407,,,,,,,,,,,,,,0.0,0.0,,
COc1cccc(C(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)c1,CID644418,,,,,0.0,,,,,,,,,,0.0,,
Cc1sc2nc(C(C)C)nc(SCC(=O)N3CCN(C(=O)c4ccco4)CC3)c2c1C,CID651190,,,,0.0,0.0,,0.0,,,,,,0.0,,,0.0,
Cc1sc2ncnc(SCC(=O)N3CCN(C(=O)c4ccco4)CC3)c2c1C,CID650703,0.0,0.0,,,0.0,,0.0,,,,0.0,,0.0,,,0.0,0.0
Cc1nc(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)c2c(C)c(C)sc2n1,CID644575,0.0,,0.0,0.0,0.0,,0.0,,,,,,,,,,0.0
O=C(Nc1ccccc1N1CCCC1)c1ccco1,CID655534,0.0,,0.0,,,0.0,,,,,0.0,,0.0,,0.0,0.0,
O=C(Nc1cccc(Cl)c1N1CCCC1)c1ccc(Br)o1,CID1242987,0.0,,,,,,,,,,,,,,,0.0,0.0
O=C(Nc1ccccc1N1CCCC1)c1ccc(Br)o1,CID890518,0.0,,,,,,,,0.0,,,0.0,,,,0.0,
CCn1c(SCc2nc(=O)c3cc(OC)c(OC)cc3[nH]2)nnc1-c1ccncc1,CID655532,0.0,,0.0,,0.0,,,0.0,,,,,,,,,
CCn1c(SCc2nc(=O)c3ccccc3[nH]2)nnc1-c1ccncc1,CID1322325,,,,,,,,,,,0.0,,,,0.0,,
COCCn1c(SCc2nc(=O)c3ccccc3[nH]2)nnc1-c1ccncc1,CID2104651,,,,,,,,,,0.0,,,,,0.0,,
Oc1ccc(CNc2ccc(F)cc2)c2cccnc12,CID648581,,,,0.0,,,0.0,,,,,,,,,,
Oc1ccc(CNc2ccccc2)c2cccnc12,CID644901,0.0,,,,,,0.0,0.0,,,,0.0,,,,0.0,
Oc1ccc(CNc2ccccc2F)c2cccnc12,CID655278,,,,,,,,,,,,,,,0.0,,
Cc1ccc2c(c1)-c1c(cnn1CC(=O)N(CCC#N)c1ccccc1)CO2,CID5307428,,0.0,,,,0.0,0.0,0.0,,,,,,,,,
COc1cc(NC(=O)Cn2ncc3c2-c2ccccc2OC3)cc(OC)c1OC,CID5309911,,,,,,,,,,,,,,,,,0.0
O=C(Cn1ncc2c1-c1ccccc1OC2)Nc1cccc(Cl)c1,CID9550923,,,,,,,,,,,,,,0.0,,,
COc1cc(NC(=O)c2cc3c(C)nc4ccccc4c3o2)cc(OC)c1OC,CID5309039,,,,,,,0.0,,,,,,0.0,,,,
CCOc1ccc(NC(=O)c2cc3c(C)nc4ccccc4c3o2)cc1,CID9550478,,,,,,,,,,0.0,,,,,,,
COc1ccc(C)cc1NC(=O)c1cc2c(C)nc3ccccc3c2o1,CID3243228,0.0,,0.0,0.0,0.0,,,,,,,,,,,,
COc1ccc(C2NC(=O)c3n[nH]c(C)c32)c(OC)c1,CID5309036,,0.0,,,,0.0,,,,,,,,,,,
Cc1[nH]nc2c1C(c1ccccc1F)NC2=O,CID5309210,,,,,,,0.0,,,0.0,,,0.0,,,,
CCOc1ccc(C2NC(=O)c3n[nH]c(C)c32)cc1,CID5309050,,,0.0,,,,,,,,,,,,,,
CCOC(=O)N1CCC(NC(=O)CS(=O)(=O)Cc2nc(-c3ccccc3C)oc2C)CC1,CID5309035,,0.0,,,,,,,,,,,,,,0.0,
CCOC(=O)N1CCC(NC(=O)CS(=O)(=O)Cc2nc(-c3cccc(OC)c3)oc2C)CC1,CID3243701,,,,,0.0,,,,,,,,,,,,0.0
CCOC(=O)N1CCC(NC(=O)CS(=O)(=O)Cc2nc(-c3ccc(C)cc3)oc2C)CC1,CID5307999,,,,0.0,,,,0.0,,,,,,,,,
O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc(Br)o1,CID1862538,0.0,,,,,,0.0,,,,,,,,,,
O=C(Nc1ccccc1N1CCOCC1)c1ccc(Br)o1,CID1294440,0.0,,,,,,0.0,,0.0,,,,,,0.0,,
O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccco1,CID892367,,,,,,,,,0.0,,,,,,,,0.0
COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCc2ccncc2)cc1,CID1345629,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C(=O)N/C(=C\c2ccccc2)C(=O)NCc2ccncc2)cc1,CID2891876,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)NCc2ccncc2)cc1,CID2891537,,,,,,0.0,,,,,,,,,,,
CC(NC(=O)C1CCN(S(=O)(=O)N2CCCCCC2)CC1)c1ccccc1,CID3243193,0.0,0.0,,0.0,0.0,,,,,,,,,,,,0.0
O=C(NCc1ccccc1Cl)C1CCN(S(=O)(=O)N2CCCCCC2)CC1,CID3236261,0.0,,0.0,0.0,0.0,0.0,0.0,,,,,0.0,0.0,,,,0.0
O=C(NCc1ccccc1)C1CCN(S(=O)(=O)N2CCCCCC2)CC1,CID3242107,0.0,,,0.0,0.0,,,,,,,,,,,0.0,0.0
Cc1cccc(NC(=O)CCSc2nc(C)cc(C)n2)c1,CID7314901,,,,,,0.0,,,,,,,,,,,
Cc1cc(C)nc(SCCC(=O)Nc2ccccc2C)n1,CID851325,,,,,,0.0,,,,,,0.0,,,,,
Cc1cc(C)nc(SCCC(=O)Nc2ccccc2)n1,CID851323,,,,,,,,,,,,,,0.0,0.0,,
CC1=C(C(=O)Nc2ccccc2)C(c2ccco2)C(C#N)=C(SCC(N)=O)N1,CID2835602,,,,,,,,,,,,,,,0.0,,
CCOC(=O)CSC1=C(C#N)C(c2ccco2)C(C(=O)Nc2cccc(C(F)(F)F)c2)=C(C)N1,CID2941095,0.0,,,,0.0,,,0.0,,,,,,,,,0.0
CC1=C(C(=O)Nc2ccccc2)C(c2ccco2)C(C#N)=C(SCC(=O)OC(C)C)N1,CID2833663,,,,,0.0,,,,,,,,0.0,,,,0.0
CCn1ncc(C2=NOC(C(=O)NCc3ccc(Cl)cc3)C2)c1C,CID3243731,0.0,0.0,,,,,,,,,,,0.0,,,0.0,0.0
CCn1ncc(C2=NOC(C(=O)NCc3ccc(OC)cc3)C2)c1C,CID3242934,,,,,,0.0,,,,,,,,,,,
CCn1ncc(C2=NOC(C(=O)NCc3ccccc3)C2)c1C,CID3241275,0.0,0.0,,,,,,,,,0.0,,,,,,
FC(F)(F)c1cccc(-n2cccc2/C=N/n2cnnc2)c1,CID662378,,,,,0.0,,,,,,,,,,,,
C(=N/n1cnnc1)\c1cccn1-c1ccccc1,CID962780,,,,,,0.0,,,,,,0.0,,,0.0,,
Brc1ccc(-n2cccc2/C=N/n2cnnc2)cc1,CID883239,,,,,,,,,0.0,,0.0,,,0.0,,,
O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1,CID1091554,,,,,,,,,0.0,,0.0,,,,,,
O=C(c1ccco1)N1CCN(S(=O)(=O)c2cccs2)CC1,CID756358,,,,,,,,,0.0,0.0,,,0.0,,,,
O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1,CID1314547,,,,,,,0.0,,0.0,,,,,,,,
CCOc1ccc(NC(=O)CN2CCN(CC(=O)c3ccc(OC)c(OC)c3)CC2)cc1,CID3241777,,,0.0,,,,,,0.0,,0.0,,,,,,0.0
O=C(CN1CCN(CC(=O)c2ccc(F)cc2)CC1)Nc1ccccc1Cl,CID3237389,0.0,,0.0,,,0.0,0.0,,,0.0,,,0.0,,,0.0,
CCOc1ccc(NC(=O)CN2CCN(CC(=O)c3ccc(OCC)cc3)CC2)cc1,CID3243762,,,,0.0,,,,,,,,,0.0,,,,
Cc1cccc2c1OCC/C2=N\NC(=O)COc1ccccc1Cl,CID11948855,,,,,,0.0,,,,,,,,,,,
Cc1ccc(OCC(=O)N/N=C2\CCOc3c(C)cccc32)cc1,CID5108949,,,,,,0.0,,,,,,,,,0.0,,
Cc1ccccc1OCC(=O)N/N=C1\CCOc2c(C)cccc21,CID5045858,,,,,,0.0,,,,,,,,,,,
C/C(=N\NC(=O)Cn1cnc2ccccc21)c1cccs1,CID697067,,,,,,,,,,,,,,,0.0,,
Cc1nc2ccccc2n1CC(=O)N/N=C/c1cccs1,CID781494,,,,,,,,,,,,,,,0.0,,
O=C(Cn1cnc2ccccc21)N/N=C/c1cccs1,CID697077,,,,,,,,,,,,,,,0.0,,
CCOc1ccccc1CNC(=O)c1cc2oc3ccccc3c2n1CC,CID9550365,,,,,,0.0,,,,,,,,,,,
CCOc1ccccc1CNC(=O)c1cc2oc3ccccc3c2n1C,CID9550727,,,,,,,,,0.0,,,,,,,,
COc1cccc(CNC(=O)c2cc3oc4ccccc4c3n2C)c1OC,CID3237615,0.0,,,,,0.0,,0.0,,,,0.0,,,,,0.0
Nc1nc(SCc2ccccc2Cl)ns1,CID728873,,,,,,,,,,,,,,0.0,,,
Nc1nc(SCc2ccccc2)ns1,CID563449,,,0.0,,0.0,,,,0.0,,,,,,,,
Nc1nc(SCc2ccc(Cl)cc2)ns1,CID847777,,,,,,,,,0.0,,,,,0.0,0.0,,
O=C(Cn1cnc2ccc(Br)cc2c1=O)c1cccs1,CID1236376,,,,,,,,,,,,,,0.0,,,
O=C(Cn1cnc2ccccc2c1=O)c1cccs1,CID852111,,,,,,,,,,,,0.0,,,0.0,,
O=C(Cn1cnc2ccc(Cl)cc2c1=O)c1cccs1,CID852112,,,,,,,,,,,,,,0.0,0.0,,
OC(COc1ccccc1Cl)Cn1c2ccccc2c2ccccc21,CID2878648,,,,,,0.0,,,,,,,,,,,
O=Cc1ccc(OCC(O)Cn2c3ccccc3c3ccccc32)cc1,CID2870234,,,,,,0.0,,,,,,,,,,,
CC(=O)Nc1ccc(OCC(O)Cn2c3ccccc3c3ccccc32)c(C)c1,CID3148797,,,,,,0.0,,,,,,0.0,,,,,
O=C(c1coc(=O)c(Br)c1)N1CCCc2ccccc21,CID659213,0.0,,,,,,0.0,,0.0,,,0.0,,,0.0,,0.0
Cc1cc(=O)oc(C)c1C(=O)N1CCCc2ccccc21,CID919836,,,,,,,,,0.0,0.0,,,,0.0,0.0,,
O=C(c1ccc(=O)oc1)N1CCCc2ccccc21,CID664552,,,0.0,,,,0.0,0.0,,0.0,,,,,0.0,0.0,0.0
O=C(OCCN1C(=O)c2ccccc2C1=O)c1ccccc1,CID711247,,,,,,,,,,,,,,,0.0,,
COc1cccc(C(=O)OCCN2C(=O)c3ccccc3C2=O)c1OC,CID2113197,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)OCCN2C(=O)c3ccccc3C2=O)cc1,CID730700,,,,,,,,,,,,,0.0,,0.0,0.0,
O=C(CC(c1ccc(F)cc1)c1ccco1)N1CCOCC1,CID2946325,,,0.0,,,,,,,0.0,,,,,,,
Cc1ccc(C(CC(=O)N2CCOCC2)c2ccco2)cc1,CID2954977,,,,,,,0.0,0.0,,,,,,,,,
O=C(CC(c1ccccc1)c1ccco1)N1CCOCC1,CID660309,,,0.0,,,,,0.0,,,,,0.0,,,,
CCCOc1ccc(Cc2nn3c(=O)/c(=C/c4ccco4)sc3nc2=O)cc1,CID665845,,,0.0,,,0.0,0.0,0.0,,,0.0,,0.0,,,,0.0
O=c1nc2s/c(=C\c3ccco3)c(=O)n2nc1Cc1ccc(F)cc1,CID664407,,,,,,,0.0,0.0,,,,,0.0,,,,
O=c1nc2s/c(=C\c3ccco3)c(=O)n2nc1Cc1ccccc1,CID750776,0.0,0.0,,0.0,0.0,,,0.0,,0.0,,,,,,0.0,0.0
COc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OC)c(OC)c3OC)C2=O)cc1,CID1607700,,,,,,,,,,,,,,,0.0,,
COc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(OC)c1OC,CID1331298,,,,,,,,,,,,,,,0.0,,
COc1cc(OC)c(OC)cc1/C=C1\C(=O)NC(=O)N(Cc2ccccc2)C1=O,CID1910511,,,,,,,,,,,,,,,0.0,,
O=c1cc(-c2ccccc2)[nH]c(N2CCCCC2)n1,CID666391,,0.0,,0.0,,,,0.0,,,,,,,,,
CC1CCN(c2nc(=O)c(C#N)c(-c3ccccc3)[nH]2)CC1,CID3239026,,,,,,,,,,,0.0,,0.0,,,,
CC(C)c1ccc(-c2[nH]c(N3CCCCC3)nc(=O)c2C#N)cc1,CID891760,,0.0,0.0,,,,0.0,,,,0.0,0.0,0.0,,,,
Cc1nn(-c2ccccc2)c2nc(N)c(C#N)c(-c3ccc(F)cc3)c12,CID666394,,0.0,0.0,0.0,,,,,,,,0.0,,0.0,,,
CSc1ccc(-c2c(C#N)c(N)nc3c2c(C)nn3-c2ccccc2)cc1,CID666072,0.0,0.0,,,,,,0.0,,,,,,,,0.0,
COc1cc(-c2c(C#N)c(N)nc3c2c(C)nn3-c2ccc(C)c(C)c2)cc(OC)c1OC,CID667260,,,,0.0,,0.0,,,,,,,,,,,
CCOC(=O)c1c(Cc2ccc(Cl)cc2)c[nH]c1C,CID2145753,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1c(Cc2cccc(Cl)c2)c[nH]c1C,CID2145755,,,,,,,,,,,,,,0.0,,,
COC(=O)c1c(Cc2ccccc2Cl)c[nH]c1C,CID2526756,,,,,,,,,,,,,,0.0,,,
CCc1[nH]nc2c1C(c1ccncc1)C(C#N)=C(N)O2,CID653607,,0.0,,,,,0.0,,,0.0,,,,,,0.0,
CCCc1[nH]nc2c1C(c1ccncc1)C(C#N)=C(N)O2,CID2866118,,,,0.0,,,0.0,,,0.0,,,,,,0.0,
CC(C)(C)c1[nH]nc2c1C(c1ccncc1)C(C#N)=C(N)O2,CID2945699,,,0.0,,,,0.0,,,0.0,,,,,,0.0,
COc1cc2c(cc1OC)C(c1cccc([N+](=O)[O-])c1)NC(=O)C2,CID2858578,,,,,,,,,,,,,,,0.0,,
O=C1Cc2ccccc2C(c2ccccc2)N1,CID28576,,,0.0,0.0,,,0.0,0.0,,0.0,,,,,,0.0,
Cc1ccc(C2NC(=O)Cc3ccccc32)cc1,CID2867141,,,,,,,,,,0.0,0.0,,,0.0,,,
COc1ccc(NN=C2C(=O)CC(C)(C)CC2=O)cc1,CID950362,,,,,,,,,0.0,0.0,0.0,,,0.0,0.0,,
O=C1CCCC(=O)C1=NNc1cccc(C(=O)O)c1,CID1536984,,,,,,,,,,,,,,,0.0,,
COc1ccc(NN=C2C(=O)CC(C)(C)CC2=O)c(OC)c1,CID840796,,,,,,,,,0.0,,0.0,,,,,,
Cc1[nH]c2ccc(-c3nnc(SCC(=O)c4ccccc4F)o3)cc2c1C,CID652957,0.0,,,,0.0,,0.0,0.0,,,,,0.0,,,0.0,0.0
Cc1cc(C)c(C)c(C(=O)CSc2nnc(-c3ccc4[nH]c(C)c(C)c4c3)o2)c1C,CID1374146,,,,,,,,,,0.0,,,,,,,
Cc1[nH]c2ccc(-c3nnc(SCC(=O)c4ccc(F)cc4)o3)cc2c1C,CID654896,0.0,,,,,,,0.0,,,,,0.0,,,0.0,0.0
COc1ccc(N(C(=O)c2ccn[nH]2)C(C(=O)NC(C)(C)C)c2ccc(F)cc2)cc1,CID3221278,,,,,,,,,,,,0.0,,,,,
CCC(C)(C)NC(=O)C(c1ccccc1F)N(C(=O)c1ccn[nH]1)c1ccccc1,CID3216057,,,,,,,,,,,,0.0,,,,,
CCC(C)(C)NC(=O)C(c1cccc(OC)c1)N(C(=O)c1ccn[nH]1)c1cccc(OC)c1,CID650280,,,,,,,,0.0,,,,0.0,0.0,,,,0.0
COc1ccc(-c2nnc(SC(C)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)o2)cc1,CID4880601,,,,,,,,,,,,0.0,,,,,
Cc1c(NC(=O)CSc2nnc(-c3cccc(Cl)c3)o2)c(=O)n(-c2ccccc2)n1C,CID1253074,,0.0,,0.0,0.0,,,,0.0,,0.0,,,,,,0.0
Cc1c(NC(=O)C(C)Sc2nnc(-c3ccccc3)o2)c(=O)n(-c2ccccc2)n1C,CID2998183,0.0,,0.0,,,0.0,,,,,0.0,,,,,,
C=CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OC(=O)c2ccco2)c(OC)c1,CID2923922,,0.0,0.0,,,,,,,,,,0.0,,,,
CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OC(=O)c2ccco2)cc1,CID2918380,,,,,,,,,,0.0,,,,,,,
CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OC(=O)c2ccco2)c(OC)c1,CID2918824,,,,0.0,,,,0.0,,,,,,,,,
Cc1ccc2c(C)nc(NC3=NCN(CCc4ccccc4)CN3)nc2c1,CID663858,,,,,,,0.0,,,,,,,,,,
Cc1nc(NC2=NCN(CCc3ccccc3)CN2)nc2c(C)cccc12,CID663386,,0.0,,,,,,,,,,,,,,0.0,
Cc1nc(NC2=NCN(CCc3ccccc3)CN2)nc2ccccc12,CID664926,,,,,,,,,0.0,,,,,,,,
C=CCN1C(SCC(N)=O)=NN/C1=C1/C=C(Br)C=CC1=O,CID5649100,,,,,,,0.0,,,,,,,,,,
COCCN1C(SCC#N)=NN/C1=C1/C=CC=CC1=O,CID5771204,,,,,,,0.0,,,,,,,,,,
C=CCN1C(SCC(N)=O)=NN/C1=C1/C=CC=CC1=O,CID5769296,,,,,,,,0.0,,,,,,,,,0.0
COc1cc(-c2nnc(COc3ccc4ccccc4c3)o2)cc(OC)c1OC,CID1326251,0.0,,,,,,,0.0,0.0,0.0,,0.0,,0.0,,,
COc1ccc(-c2nnc(COc3ccc4ccccc4c3)o2)cc1OC,CID2294488,,,,,,,,,0.0,,,,,0.0,0.0,,
COc1cc(-c2nnc(COc3ccc4cc(Br)ccc4c3)o2)cc(OC)c1OC,CID1325969,0.0,,,,,,0.0,,0.0,,0.0,,,,,,
CCn1c(SCC(=O)c2ccccc2)nnc1-c1cccs1,CID2138929,,,,,,0.0,,,,,,0.0,,,0.0,,
CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1cccs1,CID2040413,,,,,,,,,0.0,,,,,0.0,0.0,,
COc1ccc(OC)c(C(=O)CSc2nnc(-c3cccs3)n2C)c1,CID1248856,,0.0,0.0,,0.0,,0.0,,0.0,0.0,0.0,,0.0,,,,
Cc1cc(NC(=O)c2ccccc2F)on1,CID1214825,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C(=O)Nc2onc(C)c2C#N)cc1,CID1477385,,,,,,,,,,,,0.0,,,0.0,,
Cc1cccc(C(=O)Nc2onc(C)c2C#N)c1,CID3614513,,,,,,,,,,,,,,,0.0,,
O=C(CSc1nnc2scc(-c3ccc(Cl)cc3)n12)NCc1ccc2c(c1)OCO2,CID1179274,,,,,0.0,,,,,,,,,,,,
O=C(CSc1nnc2scc(-c3ccccc3)n12)NCc1ccc2c(c1)OCO2,CID1085107,0.0,,0.0,0.0,0.0,,,,,,0.0,,,0.0,,,
Cc1ccc(-c2csc3nnc(SCC(=O)NCc4ccc5c(c4)OCO5)n23)cc1,CID2213077,,,,,0.0,,,,0.0,0.0,,,0.0,,,,0.0
O=c1c2ccccc2nc(-c2ccccc2)n1CCCn1ccnc1,CID828454,,0.0,0.0,,,,0.0,0.0,0.0,,,,,,,,
Cc1ccc(-c2nc3ccccc3c(=O)n2CCCn2ccnc2)cc1,CID828458,,0.0,,0.0,,,0.0,,,,,,,,0.0,0.0,
COc1ccc(-c2nc3ccccc3c(=O)n2CCCn2ccnc2)cc1,CID648284,,0.0,0.0,0.0,,,,0.0,,,,,0.0,,0.0,,
O=C1Nc2ccccc2C(O)(C(=O)NCc2ccc3c(c2)OCO3)N1c1ccc(Cl)c(Cl)c1,CID3473123,,,,,,,,,,,,,,0.0,,,
O=C1Nc2ccccc2C(O)(C(=O)NCc2ccc3c(c2)OCO3)N1c1ccccc1,CID3237654,,,,,,,,,,,0.0,,,,,0.0,0.0
COc1cccc(N2C(=O)Nc3ccccc3C2(O)C(=O)NCc2ccc3c(c2)OCO3)c1,CID3237045,,,0.0,,,,,,,,,,,,,,
COC(=O)CSc1nnc2c3c4c(sc3nc(-n3nc(C)cc3C)n12)COC(C)(C)C4,CID665452,,0.0,,,,0.0,,,,,,,,,,0.0,0.0
Cc1cc(C)n(-c2nc3sc4c(c3c3nnc(SCC(N)=O)n23)CC(C)(C)OC4)n1,CID665393,,0.0,,,,,,,,0.0,,0.0,,,,0.0,0.0
CSc1nnc2c3c4c(sc3nc(-n3nc(C)cc3C)n12)COC(C)(C)C4,CID665643,,,,,,,,,,,0.0,,,,,,
CNC(=O)CSc1nnc(-c2cc3c(C)nn(-c4ccccc4)c3s2)n1C,CID648677,0.0,0.0,,,,,0.0,,0.0,,,,,,,0.0,
CCn1c(SCC(N)=O)nnc1-c1cc2c(C)nn(-c3ccccc3)c2s1,CID650627,,0.0,,,0.0,0.0,0.0,,0.0,0.0,,0.0,,,,0.0,
CCn1c(SCC(=O)O)nnc1-c1cc2c(C)nn(-c3ccccc3)c2s1,CID653859,0.0,,0.0,0.0,0.0,0.0,,,,,,,,,,0.0,0.0
CCC(CC)C(=O)Nc1nnc(SCC(=O)N2CCN(c3ccccc3OC)CC2)s1,CID652121,,,,,0.0,0.0,0.0,,0.0,0.0,0.0,0.0,,,,0.0,0.0
Nc1nnc(SCC(=O)N2CCN(c3ccccc3)CC2)s1,CID653139,0.0,0.0,,0.0,0.0,,0.0,,,0.0,,,,,,,0.0
CCCCC(=O)Nc1nnc(SCC(=O)N2CCN(c3ccccc3OC)CC2)s1,CID646971,,0.0,,,0.0,0.0,,,,,,,,,,0.0,0.0
COc1ccc2cc(CN(C(=O)Nc3ccccc3)C3CCCC3)c(=O)[nH]c2c1,CID652123,,0.0,0.0,0.0,,,,0.0,,,,,,,,,
COc1cc2cc(CN(C(=O)Nc3ccccc3)C3CCCC3)c(=O)[nH]c2cc1OC,CID651469,0.0,,0.0,,,0.0,,0.0,,,,0.0,,,,0.0,0.0
COc1ccc2cc(CN(C(=O)Nc3ccccc3OC)C3CCCC3)c(=O)[nH]c2c1,CID652136,0.0,,0.0,,,,,0.0,,,,0.0,,,,,0.0
CCN(C(=O)Cc1cccs1)c1nnc(-c2cccnc2)s1,CID652124,0.0,0.0,0.0,0.0,0.0,,,,0.0,0.0,0.0,,,0.0,,,
CCCCN(C(=O)Cc1cccs1)c1nnc(-c2cccnc2)s1,CID3212811,,,,,,,,,,0.0,0.0,,,,,,
COCCN(C(=O)Cc1cccs1)c1nnc(-c2cccnc2)s1,CID649676,0.0,0.0,,,0.0,0.0,,,0.0,,0.0,0.0,,,,,
COc1cccc(/C=C2/SC(N)=NC2=O)c1,CID1535204,,,,,,0.0,,,,,,,,,,,
CC(=O)NC1=NC(=O)/C(=C\c2ccc(C(C)(C)C)cc2)S1,CID2251438,,,,,,0.0,,,,,,,,,,,
CCOC(=O)CSC1=NC(=O)/C(=C\c2ccc(Cl)cc2)S1,CID5286239,,,,,,,,,,,,,,0.0,,,
Oc1ccc(-c2csc(Nc3cccnc3)n2)cc1,CID973016,,,,0.0,0.0,,,,,,,,,,,,
CC(=O)Oc1ccc(-c2csc(Nc3cccnc3)n2)cc1,CID972788,,,,,,0.0,,,,,0.0,,,,,,
COc1ccc(-c2csc(Nc3cccnc3)n2)cc1OC,CID972982,,,,,,,,,,,,,,,0.0,,
CC(=O)c1ccc(NC2CC(O)C(O)CO2)cc1,CID645368,,,,,0.0,,,,,,,,,,,,
CC1OC(Nc2ccc(OC(F)(F)F)cc2)C(O)C(O)C1O,CID653395,,,,,,,,,0.0,,,0.0,,,,,
CC(=O)c1ccc(NC2OC(C)C(O)C(O)C2O)cc1,CID651901,,,,,,,,,,,,,,,,,0.0
CCc1nnc(NC(=O)CSc2ncc(-c3ccccc3)n2CC)s1,CID655479,0.0,0.0,0.0,,0.0,,,,0.0,,,,,,,,
CCc1nnc(NC(=O)CSc2ncc(-c3ccccc3)[nH]2)s1,CID2336906,,,,,,,,,,,,0.0,,,,,
CCc1nnc(NC(=O)CSc2ncc(-c3ccccc3)n2C)s1,CID650529,0.0,0.0,,0.0,0.0,0.0,0.0,,0.0,,,,,,,,
O=C(CSC1=NCCS1)Nc1nc(-c2ccccc2)cs1,CID671794,,,0.0,,0.0,,,,0.0,,,,,,0.0,,
Cc1sc(NC(=O)CSC2=NCCS2)nc1-c1ccccc1,CID702082,,,,,,,,,0.0,,,0.0,,,,,
Cc1ccc(-c2csc(NC(=O)CSC3=NCCS3)n2)cc1,CID1235812,,,,,,,,,0.0,,,,,,,,
C=CCn1c(CSCc2ccc(Cl)cc2)nnc1SCC(=O)NCc1ccccc1,CID1022011,,,,,,,,,,,,0.0,,,,,
C=CCn1c(CSCc2ccccc2)nnc1SCC(=O)NCc1ccccc1,CID1022013,,,,,,0.0,,,,,,,,,0.0,,
CCn1c(CSCc2ccc(C)cc2)nnc1SCC(=O)NCc1ccccc1,CID1022009,,,,,,0.0,,,,,,,,,,,
Cc1c(C(=O)OC2CCC(C)CC2)[nH]c2c1C(=O)CCC2,CID2996853,,,,,0.0,,0.0,,,,,,,,,0.0,0.0
COC(=O)C1C(=O)c2c([nH]c(C(=O)OC3CCCCC3)c2C)CC1C,CID2997361,,,0.0,,,,0.0,0.0,,,,,,,,,
Cc1c(C(=O)OC2CCCCC2)[nH]c2c1C(=O)CC(C)(C)C2,CID3241194,,,,,0.0,,,0.0,,,,,,,,,0.0
Fc1ccc(CSc2ncnc3nc[nH]c23)cc1,CID95108,,0.0,0.0,0.0,,,,,,0.0,,,,,,,
Brc1ccc(CSc2ncnc3nc[nH]c23)cc1,CID851597,0.0,,,,,,,,0.0,,0.0,,,,,0.0,0.0
Cc1cccc(CSc2ncnc3nc[nH]c23)c1,CID472980,,,,0.0,,,0.0,,,0.0,,,,,,,0.0
N#Cc1ccc(Sc2nc3ccccc3[nH]2)cc1C#N,CID672446,,,,,,0.0,0.0,,,0.0,,,,,,0.0,
CS(=O)(=O)c1ccc(Sc2nc3ccccc3[nH]2)c([N+](=O)[O-])c1,CID976981,,,,,,,,,,0.0,0.0,,,,,,
CCn1c(Sc2ccc(N)cc2Cl)nc2ccccc21,CID973685,,,,,,,,,,,,,,,,,0.0
COc1ccc(N/C(N)=N/c2nc(=O)cc(CSc3ccc(Cl)cc3)[nH]2)cc1,CID9549443,,,,,,,,,,0.0,,,,,,,
Cc1ccc(N/C(N)=N/c2nc(=O)cc(CSc3ccc(C)cc3)[nH]2)cc1,CID5618332,,,,,,,,,,0.0,,,,,,,
COc1ccccc1N/C(N)=N/c1nc(=O)cc(CSc2ccc(C)cc2)[nH]1,CID5587117,,,,,,,0.0,,,,,,,0.0,0.0,,
CCOC(=O)c1oc2ccccc2c1CSc1nnnn1-c1ccccc1,CID2416166,,,0.0,,0.0,,0.0,0.0,,,,,,,,0.0,0.0
CCOC(=O)c1oc2ccccc2c1CSc1nnnn1-c1ccc(C)cc1,CID2615717,0.0,,,,0.0,,,,,,0.0,,,,0.0,0.0,0.0
CCOC(=O)c1oc2ccccc2c1CSc1nnnn1-c1ccc(OC)cc1,CID2120241,,,,,,,,,,,0.0,,0.0,,,,0.0
Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CCCO3)cc2)cc1,CID2952752,,,,,,,,0.0,,0.0,0.0,,,,,,
O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)C1CCCO1,CID2971145,0.0,0.0,0.0,0.0,0.0,,,,0.0,0.0,,,,,,,
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CCCO3)cc2)cc1,CID2998939,,,0.0,,,,,,,0.0,,,0.0,,,,
CC(=O)N1CCN(c2nc(CC(C)C)c3c(c2C#N)CCC3)CC1,CID661764,,0.0,0.0,,,0.0,,,,,,0.0,,,,,
CCCC(=O)N1CCN(c2nc(CC(C)C)c3c(c2C#N)CCC3)CC1,CID661639,,0.0,,,,,,,,,,,,,,,
CC(C)Cc1nc(N2CCN(C(=O)C(C)C)CC2)c(C#N)c2c1CCC2,CID661519,,0.0,,,,0.0,,,,,0.0,,,,,,0.0
Cc1ccc(NC(=O)CCC(=O)NNS(=O)(=O)c2ccccc2)c(C)c1,CID1790335,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)NNC(=O)CCC(=O)Nc2ccccc2)cc1,CID1787626,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccc(S(=O)(=O)NNC(=O)CCC(=O)Nc2ccc(C)cc2C)cc1,CID1632377,,,,,,,,,,,,,,0.0,,,
O=NC1=C2NN(c3ccccc3Cl)NC2=C(N=O)CC1,CID5771456,,,0.0,,,0.0,,,,,,,,,,,
O=NC1=C2NN(c3ccccc3)NC2=C(N=O)CC1,CID5310626,,,,,,,,0.0,,,,,,,,,
O=NC1=C2NN(c3ccc(Cl)cc3Cl)NC2=C(N=O)CC1,CID5771512,,,,,,,,,,,,,,,,0.0,
OCCCC1=NC2=NC(c3cccs3)=CC(c3ccccc3Cl)N2N1,CID5771452,,0.0,,,,,0.0,,,,,,,,,,
COc1ccc(C2C=C(c3cccs3)N=C3N=C(CCCO)NN32)cc1,CID5771482,,,0.0,,,,0.0,,,,,,,,,,
COc1cccc(C2C=C(c3cccs3)N=C3N=CNN32)c1OC,CID5771270,,,,,,,,,,,,,0.0,,,,
CCCC(=O)Nn1cnc2c(c1=O)C1(CCCC1)Cc1ccccc1-2,CID657671,,,0.0,,,,,0.0,,,,,,,,,
CC(=O)Nn1cnc2c(c1=O)C1(CCCC1)Cc1ccccc1-2,CID657542,,,0.0,,,,,,,,,,,,,,
CCCn1c(SCC(N)=O)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2,CID661841,,,,0.0,,,,,,,0.0,,,,,,
CC1CCCCN1S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCC1,CID3242363,,,,,,,,0.0,,0.0,,,,,0.0,,
O=C(C1CCC1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21,CID3238083,0.0,,0.0,,,,,,,,,,0.0,,,,0.0
CCC1CCCCN1S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCC1,CID3245631,,,,,0.0,,,0.0,,0.0,,,,,,,
COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccccn3)C2=O)cc1OC,CID1334116,,,,,,,,,,,,,,,0.0,,
Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccccn3)C2=O)cc1,CID1345238,,,,,,,,,,,,,,,0.0,,
CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccccn3)C2=O)cc1,CID1335223,,,,,,0.0,,,,,,,,,,,
COc1ccc(-n2c(=S)[nH]c3cc(C(=O)NCCCN4CCCC4=O)ccc3c2=O)cc1,CID3245082,,0.0,,0.0,0.0,,,,,,,,,,,,
COc1ccc(OC)c(-n2c(=S)[nH]c3cc(C(=O)NCCCN4CCCC4=O)ccc3c2=O)c1,CID9551216,,,,,,0.0,,,,,,,,,,,
COc1ccc(-n2c(=S)[nH]c3cc(C(=O)NCCCN4CCCC4=O)ccc3c2=O)cc1OC,CID9551214,,,,,,0.0,,,,,,,,,,,
CSc1nncc(-c2ccc(F)c(F)c2)n1,CID3244755,,0.0,,,0.0,,,,,,,,,,,,
CSc1nncc(-c2ccccc2)n1,CID98541,,,,,,,,,,,,,,,0.0,,
CSc1nncc(-c2ccc(F)cc2)n1,CID654246,0.0,,,,,,,,,,,,,,,,
CC(C)Cn1c(=O)c2c(c3ccccc31)OC(C)C(=O)N2,CID3244759,,,,,,,,0.0,,,,,,,,,
CCCCn1c(=O)c2c(c3ccccc31)OCC(=O)N2,CID657764,,,0.0,,,,,0.0,,0.0,,,0.0,,,0.0,
CCCn1c(=O)c2c(c3ccccc31)OCC(=O)N2,CID775799,,,,,,,,0.0,,0.0,,,0.0,,,,
Cc1sc2ncnc(OCC(=O)N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)c2c1C,CID2081831,,,,,,,,,0.0,,,,,,,,
O=C(COc1ncnc2sccc12)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1,CID2082240,,,,,,,,,0.0,0.0,0.0,,,,,,
Cc1sc2ncnc(OCC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)c2c1C,CID2086366,,,0.0,0.0,0.0,,,,,,,,,,,0.0,0.0
COc1ccc(CCNC(=O)CSc2nnc(NC(C)=O)s2)cc1OC,CID2181028,,,,,,,,,,,,,,0.0,,,
COc1ccc(CCNC(=O)CSc2nncs2)cc1,CID2532354,,,,,,,,,,,,,,0.0,,,
Cc1nnc(SCC(=O)NCCc2ccccc2)s1,CID890643,,,,,,,,,,,,,,0.0,0.0,,
O=C(Nc1ccc(F)cc1)C(c1ccccc1)N1CCN(C(=O)c2ccco2)CC1,CID4390227,,,,,,0.0,,,,,,,,,,,
CC(C)c1ccc(NC(=O)C(c2ccccc2)N2CCN(C(=O)c3ccco3)CC2)cc1,CID3244216,0.0,,,,,0.0,,,,,,,0.0,,,,0.0
Cc1cccc(C)c1NC(=O)C(c1ccccc1)N1CCN(C(=O)c2ccco2)CC1,CID3237342,0.0,,0.0,0.0,,,,0.0,,,,,0.0,,,,0.0
Cc1ccc(OCC(=O)NNC(=O)c2cccnc2)cc1,CID839627,,,,,,,,,,,,0.0,,,0.0,,
Cc1ccc(OCC(=O)NNC(=O)c2cccnc2)cc1C,CID774755,,,,,,,,,,,,,,,0.0,,
COc1ccc(OCC(=O)NNC(=O)c2cccnc2)cc1,CID774449,,,,,,,,,,,,0.0,,,,,
O=C(c1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1)N1CCCC1,CID2214845,,,,,,,,,,,,,,,0.0,,
CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCCC3)cc2)cc1,CID1236438,,,,,,,,,,,,0.0,,,,,
O=C(c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1)N1CCCC1,CID3245464,,,,,,,,,,,,0.0,,,,,
O=S1(=O)CCC(NC(=S)Nc2ccc(Cl)cc2)C1,CID2905997,,,,,,,,,,,,,,0.0,,,
CCCN(C(=S)Nc1ccccc1)C1CCS(=O)(=O)C1,CID2896853,,,,,,0.0,,,,,,,,,,,
CCCCN(C(=S)Nc1ccccc1)C1CCS(=O)(=O)C1,CID2896545,,,,,,0.0,,,,,,,,,,,
Cc1cccc(C(=O)NC2CC3CCCC(C2)N3C(=O)NC2CCCCC2)c1,CID647078,,,,,,,,,,,,,,,,,0.0
Cc1ccc(C(=O)NC2CC3CCCC(C2)N3C(=O)NC2CCCCC2)cc1,CID648398,,,,,,,,,,,,,,,,,0.0
O=C(NC1CC2CCCC(C1)N2C(=O)NC1CCCCC1)c1ccc(F)cc1,CID655605,,0.0,,,,,,0.0,,,,0.0,,,,,
COc1ccc(Nc2oc(COc3ccc(OC)cc3)nc2C#N)cc1,CID993328,,,,,,,,,0.0,,,,,,,,
COc1ccc(Nc2oc(COc3cccc(C)c3)nc2C#N)cc1,CID2949719,,,,,,,0.0,,,,,0.0,,,,,
COc1ccc(Nc2oc(COc3ccc(Cl)cc3)nc2C#N)cc1,CID1288674,,0.0,0.0,,,,0.0,,,,,,0.0,0.0,,0.0,0.0
Cc1ccc(CC(=O)NCCS(=O)c2ccc(Cl)cc2)cc1,CID1489577,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)CCNC(=O)Cc2ccccc2)cc1,CID1471349,,,,,,,,,,,,,,0.0,,,
O=C(Cc1ccccc1)NCCS(=O)c1ccc(Cl)cc1,CID1489581,,,,,,,,,,,,,,0.0,0.0,,
CS(=O)(=O)N(CC(=O)NC1CC2CCC1C2)c1cccc(C(F)(F)F)c1,CID2950205,0.0,,,,0.0,,,,,,,,,,,,
Cc1cc(C)cc(N(CC(=O)NC2CC3CCC2C3)S(C)(=O)=O)c1,CID2897320,,,,,,,,,,0.0,,,,,,0.0,
Cc1ccc(N(CC(=O)NC2CC3CCC2C3)S(C)(=O)=O)cc1C,CID2898709,,,0.0,,,,0.0,,,,,,,,,,
O=C(O)CSc1nnc(-c2ccc3c(c2)OCO3)o1,CID1084438,,,,,,,,,0.0,,0.0,,,,,,
CC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1,CID1084440,,,,,,,,,0.0,,0.0,0.0,,0.0,0.0,,
O=C(O)CCSc1nnc(-c2ccc3c(c2)OCO3)o1,CID648895,,,0.0,0.0,,,,,0.0,,,,,,,,
COCCNC(=O)C(c1ccccc1)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21,CID651774,0.0,,0.0,,,,,0.0,,0.0,,,0.0,,,0.0,0.0
COCCNC(=O)C(c1cccc(OC)c1)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21,CID649398,,,,,,,,,,,,,,,,0.0,
CCC(C)(C)NC(=O)C(c1ccccc1)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21,CID3196322,,,,,,,,,,,0.0,,,,,,
CCc1ncc(C(=O)c2ccc(OC)cc2)n1C,CID791823,,,0.0,0.0,,,,0.0,,0.0,,0.0,,,,,
COc1ccc(C(=O)c2cnc(C(C)C)n2C)cc1,CID764412,,,0.0,0.0,0.0,,,0.0,,0.0,,,,,,0.0,
CCCc1ncc(C(=O)c2ccc(OC)cc2)n1C,CID791826,,,,,0.0,,,0.0,,0.0,,,0.0,,,0.0,
CSCCC(NC(=O)c1c(C)oc2c1CCCC2)C(=O)O,CID596046,,,,0.0,,,,,0.0,,,,,,0.0,,
Cc1c(C(=O)O)oc2c1C(O)CC(C)(C)C2,CID663241,,,,,,,,0.0,,,,,,,,0.0,
Cc1c(C(=O)O)oc2c1C(O)CCC2,CID663037,,,,,,0.0,,0.0,,,0.0,,,,,,
O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)N1CCCCCC1,CID2302075,,,0.0,,,,0.0,,,,,,0.0,,0.0,,
O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)N1CCCCCC1,CID2280028,,,,,,,,,,,,,,,,0.0,
Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCCCC2)c2ccccc2)cc1,CID1000668,,,,,,,,,,,0.0,,,,,,
Cc1ccc(NC2=CC(=O)C(=O)c3ccccc32)cc1,CID272567,,,,,,,,,0.0,0.0,0.0,,,,,,
CCOC(=O)c1ccc(NC2=CC(=O)C(=O)c3ccccc32)cc1,CID691731,,,,,,0.0,,,,,,,,,,,
O=C1C=C(Nc2ccccc2O)c2ccccc2C1=O,CID1895705,,,,,,0.0,,,,0.0,,,,,,,
Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccco1,CID655922,0.0,0.0,,,,,,0.0,,,0.0,0.0,,,,,
Cc1ccc2nc(-c3cccc(NC(=O)c4ccco4)c3)[nH]c2c1,CID2200072,,,0.0,,,,,,,,0.0,0.0,,,,,0.0
O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccco1,CID655022,0.0,,0.0,,,,,,,,0.0,0.0,,,,,
CC1(C)CC(=O)C(Sc2ccccc2[N+](=O)[O-])=C(O)C1,CID825042,,,,,,,,,,,,,,,0.0,,
CC1(C)CC(=O)C(Sc2ccccc2C(=O)O)=C(O)C1,CID825129,,,,,,,,,,,,,,0.0,0.0,,
O=C1CCCC(O)=C1Sc1ccccc1C(=O)O,CID825128,,,,,,,,,,,,,,0.0,,,
O=C(Cn1nc(-c2ccccc2)ccc1=O)NCc1ccc2c(c1)OCO2,CID3242615,0.0,0.0,,,,,,,,,0.0,,,,,,
COc1ccccc1-c1ccc(=O)n(CC(=O)NCc2ccc3c(c2)OCO3)n1,CID645271,,0.0,0.0,0.0,,0.0,,,0.0,0.0,,,0.0,,,,
O=C(Cn1nc(-c2ccccc2F)ccc1=O)NCc1ccc2c(c1)OCO2,CID649977,,,0.0,,,,,,,,,,0.0,,,,
O=C(NCc1ccccc1)C1C2C=CC3(CN(Cc4cccnc4)C(=O)C13)O2,CID3242613,,0.0,,,,,,,,,,,,,,,
Cc1ccc(CNC(=O)C2C3C=CC4(CN(Cc5cccnc5)C(=O)C24)O3)cc1,CID3244250,,,,,,,,0.0,,,,,,,,,
O=C(NCc1ccc(F)cc1)C1C2C=CC3(CN(Cc4cccnc4)C(=O)C13)O2,CID3243152,,,,,,,,,,0.0,,,,,,,
NC(=O)c1c(NC(=O)c2cccnc2Cl)sc2c1CCCC2,CID903825,,,,,,,,,,,,,,0.0,,,
NC(=O)c1c(NC(=O)c2cccnc2)sc2c1CCCC2,CID722715,,,,,,,,,,,,,,0.0,,,
CCC1CCc2c(sc(NC(=O)c3cccnc3)c2C(N)=O)C1,CID2886864,,,,,,,,,,,,,,0.0,,,
COC(=O)C1(C)NC(c2cccs2)C2C(=O)N(c3ccccc3F)C(=O)C21,CID645047,,,,,,,,,,,,,,0.0,,,
COC(=O)C1(C)NC(c2cccs2)C2C(=O)N(c3ccc(F)cc3)C(=O)C21,CID654940,,,,,,,,,,,,,0.0,,,,
COC(=O)C1(CO)NC(c2cccs2)C2C(=O)N(c3ccccc3)C(=O)C21,CID652101,,,,0.0,,,,,,,,,,,,,
CC(C)c1[nH]c(=O)c(C#N)c2c1CSC(C)(C)C2,CID658256,,,,0.0,0.0,,0.0,,,0.0,,,,,,,0.0
CCc1[nH]c(=O)c(C#N)c2c1CSC(C)(C)C2,CID658613,,,,0.0,0.0,,,,,,,,,,,,
CCCCc1[nH]c(=O)c(C#N)c2c1CSC(C)(C)C2,CID658672,,,,0.0,0.0,,0.0,,,,,,,,0.0,,
COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1NC(=O)COc1ccccc1,CID1848601,,,,,,,,,,,,0.0,,,,,
COc1ccc(OCC(=O)Nc2cc(-c3nn(C)c(=O)c4ccccc34)ccc2OC)cc1,CID1862698,,,,,,,,,0.0,0.0,,,,,,,
COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1NC(=O)COc1ccc(C)cc1,CID1853048,,,,,,0.0,,,0.0,0.0,,,,,,,
O=c1c2nnn(-c3ccccc3)c2ncn1C/C=C/c1ccccc1,CID16187044,,,,,,,,,,,,,,,0.0,,
COc1ccc(-n2nnc3c(=O)n(C/C=C/c4ccccc4)cnc32)cc1,CID5771492,,,,0.0,,,,0.0,,,,,,,,,
COc1cccc(-n2nnc3c(=O)n(C/C=C/c4ccccc4)cnc32)c1,CID5310315,,,,0.0,,,,0.0,,0.0,,,0.0,,,,
CCOC(=O)N1CCN(C(=O)N2CCOCC2)CC1,CID669633,,0.0,,,,,,,0.0,,,,0.0,,,,
CN(C)S(=O)(=O)N1CCN(C(=O)N2CCOCC2)CC1,CID2147556,,,,,,,,,,0.0,,,,,,,
CN(C)C(=O)N1CCN(C(=O)N2CCOCC2)CC1,CID2147557,,,,,,,,,0.0,,,,,,,,
C=CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)OCC,CID1039284,,,,,0.0,,0.0,,0.0,,,,,,,,
CCOC(=O)CSc1nnc(CSc2nc3ccccc3s2)n1C,CID1045272,,0.0,,,0.0,,,,,,,0.0,,0.0,,,
CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)NCC(=O)OC,CID2425878,,,,,,,,,0.0,,,0.0,,,0.0,,
COc1ccc(CCNc2ncnc3nc[nH]c23)cc1OC,CID756683,,,0.0,,,,0.0,,,,,,,,0.0,,
Clc1ccc(CCNc2ncnc3nc[nH]c23)cc1,CID2155043,,0.0,,,,,,,,,,,,,,,
c1ccc(CCNc2ncnc3nc[nH]c23)cc1,CID756669,,0.0,0.0,,,,,,,0.0,,,0.0,0.0,,,
Fc1ccc(CSc2nnc(-c3cccs3)o2)cc1,CID644516,,0.0,0.0,,0.0,,0.0,,,,0.0,,,,,,
Fc1ccccc1CSc1nnc(-c2cccs2)o1,CID647044,,0.0,,,0.0,,,,,,,,0.0,,,,
c1ccc(CSc2nnc(-c3cccs3)o2)cc1,CID646210,,,,,0.0,,,,,0.0,0.0,,0.0,0.0,0.0,,
Cc1ccccc1OCCCC(=O)NCc1ccco1,CID1564281,,,,,,0.0,,,,,,,,,,,
COc1ccc(OCCCC(=O)NCc2ccco2)cc1,CID1568873,,,,,,,,,,,,0.0,,,0.0,,
COc1ccccc1OCCCC(=O)NCc1ccco1,CID1631610,,,,,,,,,,,,,,,0.0,,
CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccccn4)ccc1c23,CID1118434,0.0,,,0.0,,0.0,,,,,0.0,,,,,,
CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ncccc4C)ccc1c23,CID1235115,,0.0,,,,,0.0,,,,,,,,,,0.0
CN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccccn4)ccc1c23,CID1094906,,0.0,,0.0,,,,,,,,,,,,,
CCOc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccco4)cnc32)cc1,CID661089,,,,,,,,,,,0.0,0.0,0.0,,,,
COc1cc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccco4)cnc32)cc(OC)c1OC,CID660954,0.0,,,,,,0.0,,,,0.0,0.0,,,,,
Cc1cc(C)cc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccco4)cnc32)c1,CID660761,0.0,,0.0,,,,,,,,,,0.0,,0.0,,
N=c1c(C(=O)NCc2ccco2)cc2c(=O)n3ccccc3nc2n1Cc1ccccc1,CID661087,,0.0,0.0,,,,,,,,0.0,0.0,,,,,
Cc1ccc(Cn2c(=N)c(C(=O)NCc3ccco3)cc3c(=O)n4ccccc4nc32)cc1,CID644735,0.0,,,,,,,,,,0.0,,,,,,0.0
N=c1c(C(=O)NCc2ccco2)cc2c(=O)n3ccccc3nc2n1Cc1ccc(Cl)cc1,CID666486,0.0,,,,0.0,,,,,,,,0.0,,,,
Cc1[nH]n(C(C)(C)C)c(=O)c1Sc1ccccc1,CID2049499,,,0.0,0.0,0.0,0.0,0.0,,,,,,0.0,,,,0.0
Cc1ccc(Sc2c(C)[nH]n(C(C)(C)C)c2=O)cc1,CID2049502,,0.0,,,0.0,,,,,,,,,,,,
Cc1[nH]n(C(C)(C)C)c(=O)c1Sc1ccc(Cl)cc1,CID2049501,,0.0,0.0,,0.0,,,,,0.0,,,,,,,0.0
O=c1/c(=C/c2ccco2)sc2n1CN(c1ccccc1)CN=2,CID704357,,,,,,,,,,,,,,0.0,,,
O=c1/c(=C/c2ccco2)sc2n1CN(c1cccc(Br)c1)CN=2,CID1305664,,,,,,,,,0.0,,0.0,,,,,,
Cc1ccc(/C=c2\sc3n(c2=O)CN(c2ccc(Br)cc2)CN=3)o1,CID661848,0.0,,,,,,,,0.0,,0.0,,,,,0.0,0.0
Cc1nc2oc3c(NCC4CCCO4)ncnc3c2c2c1COC(C)(C)C2,CID666765,,,0.0,,,0.0,,,,,,,,,0.0,,
CC(C)c1nc2oc3c(NCC4CCCO4)ncnc3c2c2c1COC(C)(C)C2,CID667382,,,0.0,,,0.0,,,,,,,,,,,
CCCc1nc2oc3c(NCC4CCCO4)ncnc3c2c2c1COC(C)(C)C2,CID666907,,,,,,,,0.0,,,,,,,,,
Cc1cc(Nc2ccc3c(c2)OCCO3)n2ncnc2n1,CID666764,,,,0.0,,,0.0,,,,,0.0,,,,,
Cc1nc2ncnn2c(Nc2ccc3c(c2)OCCO3)c1C,CID646982,,0.0,0.0,0.0,,,,,,,,0.0,,,,,
Cc1cc(Nc2ccc3c(c2)OCCO3)n2nc(C)nc2n1,CID5308994,,0.0,,,,,,,,,,,,,0.0,,
C=CCOc1ccc(CNc2nccs2)cc1OCC,CID2214185,,,,,,,,,,,,0.0,,,,,
C=CCOc1ccc(CNc2nccs2)cc1OC,CID2215630,,,,,,,,,,,,,,,0.0,,
C=CCOc1c(CNc2nccs2)cccc1OCC,CID2214016,0.0,,,0.0,0.0,,0.0,,,,,,,,,,
Cc1ccc(OCCC(=O)OCC(=O)Nc2ccc(Cl)cn2)cc1,CID2106314,,0.0,,,,0.0,,,,,,,,,,,0.0
O=C(COC(=O)CCOc1ccccc1)Nc1ccc(Cl)cn1,CID2109809,,,,,,,,,,0.0,0.0,,0.0,,,,0.0
COc1ccccc1OCCC(=O)OCC(=O)Nc1ncc(Cl)cc1Cl,CID2376140,0.0,,,,,,,,,0.0,,,0.0,,,,
Cc1cc(N/C=C2\C=C(Cl)C=CC2=O)no1,CID5405711,,,,,,0.0,,,,,,0.0,,,,,
COC1=C/C(=C\Nc2cc(C)on2)C(=O)C=C1,CID5405681,,,,,,,,,,,,,0.0,,,,0.0
COC1=CC=C/C(=C\Nc2cc(C)on2)C1=O,CID5771348,,,,,,,,0.0,,,,,,,0.0,,
O=C(Cc1ccccc1)N/N=C/c1ccc(Cl)cc1Cl,CID795120,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1/C=N/NC(=O)Cc1ccc(Cl)cc1,CID739519,,,,,,,,,,,,,,0.0,,,
O=C(Cc1ccccc1)N/N=C/c1cccc([N+](=O)[O-])c1,CID689846,,,,,,,,,,,,,,0.0,,,
COc1cc(C(=O)NCC(=O)N/N=C/c2cccs2)cc(OC)c1OC,CID1908336,,,,,,,,,,,,,,,0.0,,
O=C(CNC(=O)c1ccccc1)N/N=C/c1cccs1,CID2245494,,,,,,,,,,,,,,0.0,,,
COc1cc(C(=O)NCC(=O)N/N=C(\C)c2cccs2)cc(OC)c1OC,CID3096861,,,,,,,,,,,,,,,0.0,,
O=C1CC(C(=O)Nc2ccccc2)C2(CCCCC2)O1,CID208038,,,,,,,,,,0.0,,,,,,,
COc1ccc(NC(=O)C2CC(=O)OC23CCCCC3)cc1,CID2921910,,,,,,,,,,0.0,,,,,,,
COc1ccc(C)cc1NC(=O)C1CC(=O)OC12CCCCC2,CID2938119,,,,,,0.0,0.0,,,0.0,,,0.0,,,,
CSc1nc(C)c2c(c1C#N)CCCC2,CID661866,,,,,,,,,,,,,,,0.0,,
CCCCNc1nc(CC)c2c(c1C#N)CCCC2,CID3759894,,,,,,0.0,,,0.0,,,,,,,,
CCc1nc(Cl)c(C#N)c2c1CCCC2,CID3335609,,,,,,,,,,,,,,,0.0,,
O=C(C1CCCCC1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1,CID3240243,0.0,,,,,,,,0.0,,,,,,,0.0,0.0
Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCCCC3)CC2)cc1,CID654762,0.0,0.0,,,,0.0,,,,,,,0.0,,,,0.0
O=C(C1CCCCC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1,CID2729567,0.0,0.0,0.0,0.0,0.0,0.0,,,,,,,0.0,,0.0,,0.0
O=C(CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(F)c2)c1=O)NCc1ccco1,CID3239432,,,,,,,,,,0.0,,,0.0,,,,
O=C(CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2)c1=O)NCc1ccco1,CID3243249,,,,,,,,0.0,0.0,,,,,,,,0.0
Cc1ccc(NC(=O)Cn2c(=O)n(CCCCC(=O)NCc3ccco3)c(=O)c3ccccc32)cc1,CID3240966,,,,,,,,,0.0,,0.0,0.0,0.0,,,,0.0
Cc1nnc(SCc2nnc(-c3ccccc3Br)o2)n1-c1ccccc1,CID2528669,,,,,,,,,,,0.0,,,,,,0.0
Cc1nnc(SCc2nnc(-c3ccc(Cl)cc3)o2)n1-c1ccccc1,CID2115650,,0.0,,0.0,0.0,,,,0.0,,0.0,,,,,,0.0
Brc1ccccc1-c1nnc(CSc2nncn2-c2ccccc2)o1,CID2572964,,,,,,,,,,,,,,,,0.0,0.0
Cc1cccc(NC2=NC(=O)/C(=C\c3cccs3)S2)c1,CID1616068,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC2=NC(=O)/C(=C\c3cccs3)S2)cc1,CID1638797,,,,,,,,,,,,,,,0.0,,
O=C1N=C(Nc2ccc(F)cc2)S/C1=C\c1cccs1,CID729155,,,,,,0.0,,,,,,,,,,,
N#Cc1nc(COc2ccc(F)cc2)oc1NCCN1CCOCC1,CID654952,,,0.0,,,,,0.0,,,,,,,,,0.0
N#Cc1nc(COc2ccc(Br)cc2)oc1NCCN1CCOCC1,CID661386,0.0,,,,,,0.0,,,,,0.0,,,,0.0,0.0
N#Cc1nc(COc2ccccc2)oc1NCCN1CCOCC1,CID655896,,0.0,,,,,,0.0,,,,0.0,,,,,
Cn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)NC1CCCCC1,CID654951,0.0,0.0,,0.0,0.0,,0.0,,,,0.0,0.0,0.0,,,,0.0
CCn1c(COc2ccccc2)nnc1SCC(=O)NC1CCCCC1,CID654339,0.0,0.0,,0.0,,,,,,,,,,,,0.0,
Cc1ccc(OCc2nnc(SCC(=O)NC3CCCCC3)n2C)cc1,CID652146,0.0,0.0,0.0,,0.0,,0.0,,,,,,,,,0.0,
c1csc(C2Nc3cccc4cccc(c34)N2)c1,CID257242,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C2Nc3cccc4cccc(c34)N2)s1,CID761629,,,,,,0.0,,,,,,,,,,,
CN1c2cccc3cccc(c23)N(C)C1c1cccs1,CID830671,,,,,,0.0,,,,,,,,,,,
O=C(O/N=C(/c1ccccc1)c1ccncc1)c1ccccc1[N+](=O)[O-],CID757528,,,,,,,,,,,,,,0.0,,,
COc1ccccc1C(=O)O/N=C(/c1ccccc1)c1ccncc1,CID754842,,,,,,,,,,,,,,0.0,,,
O=C(O/N=C(/c1ccccc1)c1ccncc1)c1ccccc1F,CID754838,,,,,,,,,,,,,,0.0,,,
COC(=O)Cn1cc(C(=O)c2ccco2)c2ccccc21,CID653266,,,0.0,,,,,,0.0,,,0.0,,,0.0,0.0,0.0
O=C(O)Cn1cc(C(=O)c2ccco2)c2ccccc21,CID645021,,0.0,0.0,,,,0.0,,,,,,0.0,,0.0,0.0,
CCOC(=O)Cn1cc(C(=O)c2ccco2)c2ccccc21,CID646103,,,0.0,,,,0.0,,0.0,,,,0.0,0.0,0.0,0.0,
O=C(NCc1ccc2c(c1)OCO2)c1cc(-c2ccccc2)on1,CID2217162,0.0,,,,,,,0.0,,0.0,,,,,,,
Cc1ccc(-c2cc(C(=O)NCc3ccc4c(c3)OCO4)no2)cc1,CID1093805,0.0,,,0.0,,,,,0.0,,0.0,,0.0,0.0,,,
O=C(NCc1ccc2c(c1)OCO2)c1cc(-c2ccccc2Cl)on1,CID1093879,,,,,,0.0,,,,,0.0,,,,,,
[O-][n+]1onc2c3c4c(n(O)c3ccc21)CCCC4,CID736467,,,,,,,,,0.0,,,,,,,,
CCOC(=O)COn1c2c(c3c4no[n+]([O-])c4ccc31)CCCC2,CID658350,,,0.0,,,,,0.0,,,,,,,,0.0,
COn1c2c(c3c4no[n+]([O-])c4ccc31)CCCC2,CID736436,,,,,,,,,,0.0,,,,,,,
C/C(NCC1CCCO1)=C1/C(=O)NC(=O)N(c2ccccc2)C1=O,CID5389461,,,,,,,,0.0,,0.0,,,0.0,,,,
C/C(NCC1CCCO1)=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O,CID5389648,,,0.0,,,,,,,,,,,,,,
CC/C(NCC1CCCO1)=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O,CID5389672,,,,0.0,,,,,0.0,,,,,,,,
O=C(O)c1ccc(Sc2nnc(-c3cccc(Br)c3)o2)c([N+](=O)[O-])c1,CID1265302,,,,,,,,,0.0,,0.0,,,,,,
O=Cc1ccc(Sc2nnc(-c3ccccc3)o2)c([N+](=O)[O-])c1,CID2211533,,,,,,,,,,,,,,,0.0,,
COc1cc(OC)cc(-c2nnc(Sc3ccc(C=O)cc3[N+](=O)[O-])o2)c1,CID1241961,,,,,,0.0,,,,,,,,,,,
Cc1c(Cc2ccccc2)sc(N)c1C(N)=O,CID722048,,,,,,,0.0,,,,,,,,,,
COC(=O)c1c(NC(C)=O)sc(Cc2ccccc2)c1C,CID746923,,,,,,,,,,,,,,0.0,,,
COC(=O)CCC(=O)Nc1sc(Cc2ccccc2)c(C)c1C(N)=O,CID1071335,,,,,,,,,,,,,,0.0,,,
O=C1CC(N2CCN(c3ccccc3F)CC2)C(=O)N1c1ccc2c(c1)OCCO2,CID2999356,0.0,,,0.0,,,0.0,,,,,,,,,,
O=C1CC(N2CCN(c3ccccc3)CC2)C(=O)N1c1ccc2c(c1)OCCO2,CID2950295,0.0,,0.0,0.0,,,,,0.0,0.0,,,0.0,,,,
COc1ccc(N2CCN(C3CC(=O)N(c4ccc5c(c4)OCCO5)C3=O)CC2)cc1,CID663585,0.0,,,,,,0.0,0.0,0.0,,,,,,,,
Cc1nc(SCC(=O)NCc2ccco2)nc(C)c1C,CID2105425,,,,0.0,,,,,,0.0,0.0,,,,,0.0,
CCOC(=O)c1cnc(SCC(=O)NCc2ccco2)nc1N,CID653779,,,,,,,,,,0.0,,0.0,,,,0.0,
Cc1cc(C)nc(SCC(=O)NCc2ccco2)n1,CID588017,,0.0,,0.0,,0.0,0.0,,,0.0,,,0.0,,,,0.0
Cc1ccc(C)c(N2CCN(C(=O)CCS(=O)(=O)c3cccc4nonc34)CC2)c1,CID3237622,,,,,,,0.0,,,,,,0.0,,,0.0,0.0
Cc1ccc(Cl)cc1N1CCN(C(=O)CCS(=O)(=O)c2cccc3nonc23)CC1,CID3236934,,,0.0,,0.0,,,,0.0,,,,,,,,
O=C(CCS(=O)(=O)c1cccc2nonc12)N1CCN(c2ccc(F)cc2)CC1,CID3242455,,,,,,,,,,,,,0.0,,,,
COc1ccc(Cl)cc1NC(=O)CSc1nncn1-c1cccnc1,CID647580,0.0,0.0,0.0,0.0,0.0,,,,,0.0,,,,,,0.0,
COc1ccccc1NC(=O)CSc1nncn1-c1cccnc1,CID864407,,,,,,,,,,,0.0,,,,,,
Cc1cc(C)c(NC(=O)CSc2nncn2-c2cccnc2)c(C)c1,CID1014801,,,,,,,,,,,,,,,0.0,,
Cc1cccc(COCC(Cc2ccccc2)N2CCN(C(=O)c3cccc(Cl)c3)CCC2=O)c1,CID6098768,,,,,,,,,,,,,,0.0,0.0,,
Cc1cccc(C(=O)N2CCC(=O)N(C(COCc3ccc(Cl)cc3)Cc3ccccc3)CC2)c1,CID6099304,,,,,,,,,,,,,,,0.0,,
CC(C)(C)c1ccc(C(=O)N2CCC(=O)N(C(COCc3ccccc3)Cc3ccccc3)CC2)cc1,CID6099895,,,,,,,,,,,,,,,0.0,,
CCc1c(C)[nH]c2nc3ccccc3n2c1=O,CID703109,,,,,,,,,,,,,,0.0,,,
CCCc1cc(=O)n2c(nc3ccccc32)[nH]1,CID1402124,,,,0.0,,,,,,,,0.0,,,,,
Cc1cc(=O)n2c(nc3ccccc32)[nH]1,CID486631,,,,,,,,,,,,0.0,,,,,
CC(C)(C)n1ncc2c(=O)n(CC(=O)NCc3ccccc3)cnc21,CID3244301,,,0.0,0.0,,,,0.0,,,,,,,,,0.0
CC(C)(C)n1ncc2c(=O)n(CC(=O)NCc3ccc(F)cc3)cnc21,CID3241861,,0.0,,,,,,,,,,,,,,,
CC(C)(C)n1ncc2c(=O)n(CC(=O)NCc3ccccc3Cl)cnc21,CID3243223,0.0,,0.0,,,,1.0,,,,,,,,,,
N#CCSc1sc(C#N)c(NC(=O)c2ccc(F)cc2)c1-c1ccccc1,CID2765899,,,,,,,,,,,,0.0,,,,,
N#CCSc1sc(C#N)c(NC(=O)c2ccccc2)c1-c1ccccc1,CID2765898,,,,,,,,,,,,,,0.0,,,
N#CCSc1sc(C#N)c(NC(=O)c2ccc(Cl)cc2)c1-c1ccccc1,CID2765912,,,,,,,,,,,,,,0.0,,,
Cc1ccc(N2CC(C(=O)N/N=C/c3sccc3C)CC2=O)cc1,CID3757113,,,,,,,,,,,,,,,0.0,,
Cc1ccsc1/C=N/NC(=O)C1CC(=O)N(c2ccccc2)C1,CID3718385,,,,,,,,,,,,,,0.0,,,
O=C(N/N=C/c1cccs1)C1CC(=O)N(c2ccccc2)C1,CID2883253,,,,,,,,,,,,,,0.0,,,
COCCCn1c(SCC(=O)c2ccccc2)nc2ccccc2c1=O,CID3177932,,,,,,,,,,,,,,,0.0,,
CCn1c(SCC(=O)c2ccccc2)nc2ccccc2c1=O,CID711014,,,,,,,,,,,,,,0.0,0.0,,
CC(=O)NCCn1c(SCC(=O)c2ccccc2)nc2ccccc2c1=O,CID3244426,,0.0,0.0,,,0.0,,,,,,0.0,,,,,
Oc1c(C(c2ccccc2)N2CCN(Cc3ccccc3)CC2)sc2ncnn12,CID5081799,,,,,,,,0.0,,,,,,,,,0.0
Oc1c(C(c2cccc(F)c2)N2CCN(Cc3ccccc3)CC2)sc2ncnn12,CID4983382,0.0,,,0.0,,,,,,,,,,,,0.0,
COc1ccc(C(c2sc3nc(C)nn3c2O)N2CCN(Cc3ccccc3)CC2)cc1OC,CID4997938,0.0,,0.0,0.0,,,,,,,,,,,,0.0,
C=CCn1c(Cc2ccc(OC)cc2)nnc1SCc1nc(=O)c2ccccc2[nH]1,CID1252551,0.0,,,,0.0,,0.0,,,,,,,,0.0,,
CCn1c(Cc2ccccc2)nnc1SCc1nc(=O)c2ccccc2[nH]1,CID1249620,0.0,0.0,0.0,,0.0,,,,,,0.0,,0.0,,,0.0,
COc1ccc(Cc2nnc(SCc3nc(=O)c4ccccc4[nH]3)n2C)cc1,CID1252622,,,0.0,,0.0,,0.0,,,,,,0.0,,,0.0,
Cc1csc(-c2cnn(-c3ccccc3)c2NC(=O)c2ccc(C(F)(F)F)cc2)n1,CID2123127,,,,,,,,,,0.0,,,,,,,
Cc1csc(-c2cnn(-c3ccccc3)c2NC(=O)c2cccc(F)c2)n1,CID2123250,,,,,,0.0,,,,0.0,,,,,,,
Cc1csc(-c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2)n1,CID2123128,0.0,,,0.0,0.0,0.0,,0.0,,,,,,,,,
CC(=O)c1cccc(NC(=O)Cc2ccc3c(c2)CCCC3)c1,CID2230163,,,,,,0.0,,,,,,,,,,,
O=C(Cc1ccc2c(c1)CCCC2)Nc1ccccc1Cl,CID1251405,,,,,,0.0,,,,,,,,0.0,,,
O=C(Cc1ccc2c(c1)CCCC2)Nc1ccccc1Br,CID1250182,,,,,,,,,,,,0.0,,,,,
Nc1nc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)cs1,CID892402,0.0,,0.0,,0.0,,0.0,,0.0,,,,0.0,0.0,,,
CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3csc(C)n3)c2)cc1,CID2196104,,,,,,,,,,,,,,,0.0,,
Cc1nc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)cs1,CID684183,,,,,,,,,0.0,0.0,0.0,,,0.0,,,
CCOC(=O)C1CCN(Cc2cnc(NC(=O)OC)s2)CC1,CID718833,,0.0,,,0.0,,0.0,,0.0,,,,,,,,
CC1CCCN(Cc2cnc(Cl)s2)C1,CID3736777,,,,,,,,,,,,,,0.0,,,
CC1CCN(Cc2cnc(Cl)s2)CC1,CID1481531,,,,,,,,,,,,,,0.0,,,
COc1ccc(C2=NOC3(CC(=O)N(c4ccc(C)cc4)C3=O)C2)c(OC)c1,CID667197,,,,,0.0,,0.0,,0.0,,,,,0.0,,,
COc1ccc(C2=NOC3(CC(=O)N(c4ccc(C)cc4)C3=O)C2)cc1,CID4892100,,,,,,0.0,,,,,,0.0,,,,,
COc1ccc(C2=NOC3(CC(=O)N(c4ccc(Cl)cc4)C3=O)C2)c(OC)c1,CID4886212,,,,,,0.0,,,0.0,,,,,,,,
Cc1ccc(C)c(N(C(=O)CS(=O)CC(=O)Nc2ccc3c(c2)OCO3)C(C)C(=O)NC2CCCC2)c1,CID3182174,,,,,,,,,,0.0,,,,,0.0,,
Cc1cccc(N(CC(=O)NC2CCCC2)C(=O)CS(=O)CC(=O)Nc2ccc3c(c2)OCO3)c1,CID648192,,0.0,,,0.0,,,,,,,,0.0,,,0.0,0.0
Cc1ccccc1N(CC(=O)NC1CCCC1)C(=O)CS(=O)CC(=O)Nc1ccc2c(c1)OCO2,CID650774,,,,,0.0,,0.0,,,,0.0,,,,,,0.0
Cc1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1,CID1353607,,0.0,0.0,,,,,,,,,,,,,,
c1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1,CID749680,,0.0,,,,,,,,,,,0.0,,,,
O=C(O)c1cccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1,CID1078713,,,,,,,,,,,,0.0,,,,,
Cc1ccc(-c2noc(CN(C(=O)CCCN3C(=O)c4ccccc4C3=O)C(C)C)n2)cc1,CID1263429,,,0.0,0.0,,,,,,,,0.0,,,,,
CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CCCN1C(=O)c2ccccc2C1=O,CID5308040,0.0,,,,,0.0,,,,0.0,,,,,,,
CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)CCCN1C(=O)c2ccccc2C1=O,CID1252430,,,,,,,,,,,,0.0,0.0,,,,
CC(=O)Nc1cccc(C(=O)/C=C/c2ccco2)c1,CID5735881,,,,,,0.0,,,,,,,,,,,
CCc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])o2)cc1,CID5345584,,,,,,,,,,,,,,,0.0,,
CC(=O)Nc1ccc(C(=O)/C=C/c2ccco2)cc1,CID6066314,,,,,,,,,,,,,,0.0,,,
Nc1nc(Cl)nc(N(c2ccccc2)c2ccccc2)n1,CID687904,,,,,,,,,,,,,,,0.0,,
CN(C)c1nc(N)nc(N(c2ccccc2)c2ccccc2)n1,CID712291,,0.0,,,,,,,,,,,,,,,
N#Cc1nc(N)nc(N(c2ccccc2)c2ccccc2)n1,CID712283,,0.0,,,,,,,,,,,,,,,
COc1nc2ccccc2cc1-c1noc(-c2cccnc2)n1,CID665532,,0.0,0.0,0.0,,0.0,0.0,,,,,,0.0,,,,0.0
COc1nc2cc(C)ccc2cc1-c1noc(-c2cccnc2)n1,CID665496,,,,,,0.0,0.0,0.0,,,,,,,,,
COc1nc2ccc(C)cc2cc1-c1noc(-c2cccnc2)n1,CID1263493,,0.0,0.0,0.0,,,,0.0,,,,,,,0.0,,0.0
O=c1cc(CN2CCN(c3ccccc3)CC2)c2cc(O)c(-c3ccccc3)cc2o1,CID665537,0.0,,,0.0,,,,0.0,,,,,0.0,,,0.0,
O=c1cc(CN2CCN(c3cccc(Cl)c3)CC2)c2cc(O)c(-c3ccccc3)cc2o1,CID3287222,,,,,,,,,,,,,,0.0,,,
COc1ccc(N2CCN(Cc3cc(=O)oc4cc(-c5ccccc5)c(O)cc34)CC2)cc1,CID665504,0.0,,,,,,,0.0,,,,,,,,,
Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)OCc2c(F)cccc2Cl)cc1,CID2204431,,,,,,,,,,,,,,0.0,,,
O=C(CNS(=O)(=O)c1ccccc1)NCC(=O)OCc1ccc(Br)cc1,CID1620742,,,,,,,,,,,,,,0.0,,,
O=C(CNS(=O)(=O)c1ccccc1)NCC(=O)OCc1ccccc1F,CID2223337,,,,,,,,,,,,,,0.0,,,
O=C(OCc1cc2ccccc2[nH]c1=O)C1CCCO1,CID665765,,,,,,,,,0.0,,0.0,,0.0,,,0.0,
Cc1ccc2[nH]c(=O)c(COC(=O)C3CCCO3)cc2c1,CID665140,,,,,,,,0.0,,0.0,,,,,,0.0,0.0
Cc1cccc2cc(COC(=O)C3CCCO3)c(=O)[nH]c12,CID664764,,,0.0,,,,,0.0,,,,,0.0,,,0.0,0.0
O=C(O)CC1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O,CID648360,,,0.0,,0.0,,0.0,,,0.0,0.0,,0.0,0.0,,,
O=C1CS/C(=N\c2ccc(O)cc2)N1c1ccc(O)cc1,CID657890,,,,,0.0,,,,,,,0.0,,,,0.0,
COc1ccc(/N=C2\SCC(=O)N2c2ccc(OC)cc2)cc1,CID1241395,0.0,,,,0.0,0.0,0.0,0.0,,,,,,,,,
Cc1cc(C)c2c(n1)sc1c(=O)cc(O)[nH]c12,CID648362,,,,,0.0,,,,,,,,,,,,
Cc1cc(C(F)(F)F)c2c(n1)sc1c(=O)cc(O)[nH]c12,CID683802,,,,,,,,,0.0,,,,,,,,
Cc1nc2sc3c(=O)cc(O)[nH]c3c2c(C)c1C,CID845675,,,,,,0.0,,,,,0.0,,,,,,
N#C/C(=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)c1cccc(Br)c1,CID2270969,,,,,,,,,,,0.0,,,,,,
N#C/C(=C\c1ccc(Sc2nc3ccccc3[nH]2)o1)c1ccccc1,CID875263,,,,,,0.0,,,,,,,,,,,
N#C/C(=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)c1cccc(F)c1,CID1250318,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C)c(N2CCN(C(=O)Cn3cccc3)CC2)c1,CID3236847,,,,,,,,0.0,,,,,0.0,,,,
Cc1cccc(N2CCN(C(=O)Cn3cccc3)CC2)c1C,CID5308589,,,,,,,,,,,0.0,,,,0.0,,
O=C(Cn1cccc1)N1CCN(c2ccc(F)cc2)CC1,CID5308765,,,,,,,,,,,,0.0,,,,,
Fc1cccc(Cl)c1Cn1nnc(-c2ccc3c(c2)OCO3)n1,CID686289,,,0.0,,,,,,,,,,,,,,
Fc1ccccc1Cn1nnc(-c2ccc3c(c2)OCO3)n1,CID772793,,,,,,,,,,,,0.0,,,0.0,,
Cc1ccccc1Cn1nnc(-c2ccc3c(c2)OCO3)n1,CID1080296,,,,,,,,,,,0.0,,,,,,
Cc1cccc(OCCCC(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)c1,CID649495,,,,,0.0,,,,0.0,0.0,0.0,,,,,,
Cc1noc(NS(=O)(=O)c2ccc(NC(=O)CCCOc3ccc(Cl)cc3Cl)cc2)c1C,CID1570060,,,,,,,,,0.0,,,,,,,,
Cc1cccc(OCCCC(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)c1C,CID1575154,,,0.0,,0.0,,,,0.0,,0.0,,,,,,0.0
Cc1ccc(-c2ccc(CCC(=O)O)n2NC(=O)c2ccco2)cc1,CID2233549,,,,,,,0.0,0.0,0.0,,0.0,,,0.0,,,
O=C(O)CCc1ccc(-c2ccc(F)cc2)n1NC(=O)c1ccco1,CID2980948,,,,,,,,,,,,,0.0,0.0,,,0.0
O=C(O)CCc1ccc(-c2ccccc2)n1NC(=O)c1ccco1,CID934582,0.0,,,,,,,,0.0,0.0,0.0,,0.0,,,,
COC(=O)C1=C(C)N(c2ccc(Cl)cc2)/C(=C/c2cccs2)C1=O,CID1812357,,,,,,,,,,,,,,0.0,0.0,,
COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)/C(=C/c2cccs2)C1=O,CID5337386,,,,,,,,,,,,0.0,,,,,
COC(=O)C1=C(C)N(c2ccccc2)/C(=C/c2cccs2)C1=O,CID5337394,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C(=O)NC(=S)NNS(=O)(=O)c2ccccc2)cc1,CID1728325,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C(=O)NC(=S)NNS(=O)(=O)c2ccc(C)cc2)cc1,CID1728326,,,,,,,,,,,,,,0.0,,,
O=C(NC(=S)NNS(=O)(=O)c1ccccc1)c1ccccc1[N+](=O)[O-],CID3138397,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C)c(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc23)c1,CID3789576,,,,,,0.0,,,,,,,,,,,
Cc1ccccc1Nc1c([N+](=O)[O-])cc([N+](=O)[O-])c2cccnc12,CID3727816,,,,,,0.0,,,,,,,,,,,
Cc1cccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc23)c1C,CID4593571,,,,,,,,,,,0.0,,,,,,
CN1/C(=C\C=C(C#N)C#N)C(C)(C)c2ccccc21,CID2305347,,,,,,,,,,,,,,,0.0,,
C=C1N(C)c2cc([N+](=O)[O-])c(N)cc2C1(C)C,CID4677543,,,,,,,,,,,,,,,0.0,,
CN1/C(=C\C(=O)C(F)F)C(C)(C)c2ccccc21,CID1587352,,,,0.0,,,0.0,,,,,,,,,,
O=C(O)COc1ccccc1/C=N/NC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12,CID2344441,,,,,,,,,,,,,,0.0,,,
COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(C)cc3C)nc3ccccc23)cc1COC(C)=O,CID1747447,,,,,,,,,,,,0.0,,,,,
COc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3OC)nc3ccccc23)cc1COC(C)=O,CID1023144,,,,,,0.0,,,,,,0.0,,,,,
COc1ccc(NC(=O)N(CCCN2CCOCC2)Cc2cccnc2)c(OC)c1,CID5309685,,0.0,,,,,,,,,,,,,,,
CCOc1ccc(NC(=O)N(CCCN2CCOCC2)Cc2cccnc2)cc1,CID6624417,,,,,,,,,,,0.0,,,,,,
Cc1ccc(NC(=O)N(CCCN2CCOCC2)Cc2cccnc2)cc1C,CID9551278,,,,,,,,,,,,0.0,,,,,
COc1cc2c(cc1OC)CN(C(=O)c1cc3ccccc3oc1=O)CC2,CID2094460,,,,,,0.0,0.0,,,,,,,,0.0,0.0,
CCOc1cccc2cc(C(=O)N3CCc4ccccc4C3)c(=O)oc12,CID1246861,,,,0.0,,,,,,,,,,,0.0,0.0,
COc1cccc2cc(C(=O)N3CCc4ccccc4C3)c(=O)oc12,CID800807,,,,,,0.0,0.0,,,,,,,,0.0,0.0,
CCn1c(C(=O)N2CCCC(C(=O)NCCc3ccc(C)cc3)C2)cc2sccc21,CID3236435,0.0,,0.0,0.0,0.0,,,,,0.0,,,,,,,0.0
Cc1ccc(CCNC(=O)C2CCCN(C(=O)c3cc4sccc4n3C)C2)cc1,CID3240060,0.0,0.0,,,0.0,,,0.0,,,,,,0.0,,,
Cn1c(C(=O)N2CCCC(C(=O)NCCc3ccccc3)C2)cc2sccc21,CID3242112,0.0,,,0.0,0.0,0.0,,,,,,,,,,0.0,
CN(Cc1ccccc1)C(=O)c1cccc(NC(=O)c2ccco2)c1,CID2966154,0.0,,,0.0,,,0.0,,0.0,,,0.0,0.0,,,,0.0
O=C(NCc1ccccc1)c1cccc(NC(=O)c2ccco2)c1,CID1331247,,,0.0,,,,,,,,,0.0,,,,,
Cc1ccc(C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)o1,CID1245341,,,0.0,0.0,,0.0,,,0.0,0.0,,,,,,,
O=C(CCCSc1nc2ccccc2[nH]1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1,CID4034051,,,,,,,,,,,,,,0.0,,,
COc1ccc(N2CCN(C(=O)CCCSc3nc4ccccc4[nH]3)CC2)cc1,CID2102395,,,,,,,,,,,0.0,,,,,,
O=C(CCCSc1nc2ccccc2[nH]1)N1CCN(c2ccccc2)CC1,CID2085397,0.0,0.0,0.0,,,,0.0,,,,,,,,,0.0,0.0
Clc1ccc2c(N3CCNCC3)ccnc2c1,CID738389,0.0,,,0.0,,,0.0,,,,,,0.0,,,,
CCOC(=O)c1cnc2ccc(Cl)cc2c1N1CCN(C)CC1,CID725467,,0.0,,,,,0.0,,,,,,,,,0.0,0.0
COc1ccc(OC)c2c(N3CCN(C)CC3)cc(C(F)(F)F)nc12,CID654094,,,,0.0,,,,,0.0,,,,,,,,0.0
Cc1ccc(SCC(=O)N2CCc3ccccc32)cc1,CID738380,,,,,,,,,,,,0.0,,,,,
O=C(CSc1ccccc1)N1CCc2ccccc21,CID736577,,,,,,,,,,0.0,,,,,,,
Nc1ccccc1SCC(=O)N1CCc2ccccc21,CID648920,,,,0.0,0.0,,0.0,,,,,,,,,,
O=S(=O)(NC(=S)NC1CCCCC1)c1ccccc1,CID726364,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)NC(=S)NC2CCCCC2)cc1,CID2140705,,,,,,,,,,,,,,,0.0,,
O=S(=O)(NC(=S)NC1CCCCC1)c1ccc(Cl)cc1,CID977699,,,,,,,,,,,,,,,0.0,,
CCOC(=O)N1CCN(C(=O)CS(=O)Cc2nc(-c3cccc(C)c3)oc2C)CC1,CID5309227,,0.0,,,,0.0,,0.0,,,,,,,,0.0,
CCOC(=O)N1CCN(C(=O)CS(=O)Cc2nc(-c3ccc(C)cc3)oc2C)CC1,CID5307094,,,0.0,,,,,,,,,,,,,,
CCN1CCN(C(=O)CS(=O)Cc2nc(-c3ccc(OC)cc3)oc2C)CC1,CID5309087,,,,,,,,,,,,,0.0,,,0.0,
Nc1ccc(C23CC4CC(CC(O)(C4)C2)C3)cc1,CID2834348,,,0.0,,,0.0,,0.0,,,,,,0.0,,,
Cc1ccc(C23CC4CC(CC(C(=O)O)(C4)C2)C3)cc1,CID41912,,,,,,0.0,,,,,,,,,,,
Nc1ccc(C23CC4CC(CC(CO)(C4)C2)C3)cc1,CID4442989,,,,,,,,,,,0.0,,,,,,
CCOC(=O)N1CCC(c2[nH][nH]c(=O)c2C)CC1,CID3240033,,0.0,,0.0,,0.0,,,0.0,0.0,,,0.0,,,,
CC(C)(C)OC(=O)N1CCC(c2cc(=O)[nH][nH]2)CC1,CID3239443,,0.0,,0.0,,,,,0.0,,,0.0,,,,,0.0
O=c1cc(C2CCNCC2)[nH][nH]1,CID3238023,,,,0.0,,,,0.0,,,,0.0,,,,,
C=CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1C(CC(C)C)NC(=O)c1cccs1,CID2958287,,,,,,,,,0.0,,0.0,,,,,,
C=CCn1c(CNC(=O)c2cccs2)nnc1SCC(=O)c1ccc(Br)cc1,CID2213091,,,,,,,,,0.0,,,,,0.0,,,
C=CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1C(C)NC(=O)c1cccs1,CID2958223,,,0.0,,0.0,,0.0,,,,0.0,,,,,0.0,0.0
Oc1ccc(-c2cn3c(n2)SCC3)cc1,CID700755,,,,,,,,,,,0.0,,,,0.0,,
N#Cc1c(-c2ccccc2)nc2n1CCS2,CID333044,,,,,,,,,,,,,,,0.0,,
Brc1ccc(-c2cn3c(n2)SCC3)cc1,CID764271,,,,,,,,,,,,,,0.0,,,
COc1cc(NC(=S)NC(=O)c2ccccc2F)ccc1NC(=O)c1ccco1,CID1336288,,,,,,,,,,,,,,0.0,,,
COc1cc(C(=O)NC(=S)Nc2ccc(NC(=O)c3ccco3)cc2)cc(OC)c1OC,CID2279646,,,,,,,,,,,,,,,0.0,,
O=C(NC(=S)Nc1ccc(NC(=O)c2ccco2)cc1)c1ccccc1,CID1347121,,,,,,,,,,,,,,0.0,,,
C=CCNc1nc(N2CCOCC2)c(C#N)c2c1CN(C)CC2,CID658718,,0.0,,0.0,,,0.0,,,,,,,,,,
CCN1CCc2c(C#N)c(N3CCOCC3)nc(NCCO)c2C1,CID658426,,0.0,0.0,,,,,,,,0.0,,,,,,
CCN(CC)c1nc(N2CCOCC2)c(C#N)c2c1CN(C)CC2,CID659395,,,0.0,0.0,,,,,,,,,,,,,0.0
COc1ccc2nc3sc(C(=O)N4CCN(C)CC4)cc3cc2c1,CID3240696,,0.0,,0.0,0.0,,0.0,0.0,,,,,,,,,
CCN1CCN(C(=O)c2cc3cc4cc(OC)ccc4nc3s2)CC1,CID3242523,,,,,,,0.0,,,,,,,,,,
CCOc1ccc2nc3sc(C(=O)N4CCN(C)CC4)c(N)c3cc2c1,CID655631,,,,,,,,,,0.0,,,,,,,
CCCc1nnc(NC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)s1,CID1400460,,,,,,,,,,,,,,,0.0,,
CC(C)Cc1nnc(NC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)s1,CID1398113,,,,,,0.0,,,,,0.0,,,,0.0,,
CCc1nnc(NC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)s1,CID1396983,,,,,,,,,,,0.0,0.0,,,,,
CC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(Cl)c1,CID2966920,,,,,,,,,0.0,,,,,,,,
CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1,CID2954536,,,,,0.0,,,,0.0,0.0,0.0,,0.0,,,,0.0
Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID2974961,,,,,0.0,,,,,,,,,,0.0,,
CCN1C(=O)/C(=C\N2CCN(c3ccccc3)CC2)SC1=S,CID664189,0.0,,0.0,0.0,0.0,,0.0,,0.0,,,,,0.0,,,
CCN1C(=O)/C(=C\N2CCN(c3ccc(F)cc3)CC2)SC1=S,CID6294012,,,,,,,,,,,,0.0,,,,,
CCN1C(=O)/C(=C\N2CCN(c3cccc(Cl)c3)CC2)SC1=S,CID664745,,,,0.0,,,,,,,,,,,,,
CCC(C)(c1ccc(C=O)s1)c1ccc(C=O)s1,CID619307,,,,,,0.0,,,,0.0,,,,,,,
CCC(C)(c1ccc(C(=O)OC)s1)c1ccc(C(=O)OC)s1,CID787920,,,0.0,,,0.0,0.0,,,,,,0.0,,0.0,,
CC(=O)c1ccc(C(C)(C)c2ccc(C(C)=O)s2)s1,CID658149,,,,,,0.0,,,,,,,0.0,,,,
O=C(Nc1ccc(Cl)cc1)N1CCc2[nH]c3ccccc3c2C1,CID931460,,,,,,0.0,,,,,,,,,,,
COc1ccccc1NC(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1,CID660649,0.0,0.0,,,,,0.0,,,,,,,,,0.0,0.0
COc1ccccc1NC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1,CID660364,,,,0.0,,,0.0,0.0,,,,,,,,,
CCN(CCCNC(=O)COc1cc(=O)n(C)c2ccccc12)c1cccc(C)c1,CID3238183,,,,0.0,0.0,,,,,,0.0,,,,,,
CCN(CCCNC(=O)COc1cc(=O)n(CC)c2ccccc12)c1ccccc1,CID3236564,,,,,0.0,,,,,,,,,,,,
CCN(CCCNC(=O)COc1cc(=O)n(C)c2ccccc12)c1ccccc1,CID3240679,,,0.0,,0.0,,,0.0,,,,0.0,,,,,0.0
COc1cccc(CN2CCN(C(=O)c3cccs3)CC2)c1OC,CID712500,0.0,,,0.0,0.0,0.0,,,,,,,,,,0.0,
COc1ccc(CN2CCN(C(=O)c3cccs3)CC2)cc1Br,CID1131718,0.0,,,,,,,,0.0,,,,,,,,0.0
COc1ccc(CN2CCN(C(=O)c3cccs3)CC2)c(OC)c1OC,CID1131710,0.0,,,,0.0,,,0.0,,,,,0.0,,,,
COc1cc2c(cc1OC)-c1nnnn1C(C)(C)C2,CID684140,,,,0.0,,,,,,,,,,,,,
Cc1cc2c(cc1C)-c1nnnn1C(C)(C)C2,CID659972,,,0.0,,,,,0.0,,,,0.0,0.0,,,,0.0
CC1(C)Cc2ccccc2-c2nnnn21,CID684139,,,,0.0,,,,,,,,0.0,,,,,
O=C1C2CC(O)CN2C(=O)N1c1ccccc1,CID2767064,,,,,,,,,,,,,,0.0,,,
COc1ccc(N2C(=O)C3CCCN3C2=O)cc1,CID3156585,,,,,,,,,,0.0,,,,,,,
CCOc1ccc(N2C(=O)C3CCCN3C2=O)cc1,CID646417,,,,0.0,,,0.0,,,0.0,,,0.0,,,,
CCCC(=O)Nc1nnc(-c2ccco2)s1,CID646084,,0.0,,,,,,,,0.0,0.0,0.0,0.0,,,,
CC(C)CC(=O)Nc1nnc(-c2ccco2)s1,CID872671,,,,,,,,,,,,0.0,,,,,
Nc1nnc(-c2ccco2)s1,CID351610,,,,0.0,,,,,,,,,,,,,
c1ccc(OCCOc2ncnc3ccccc23)cc1,CID2088073,0.0,,0.0,,0.0,0.0,,0.0,0.0,0.0,,,0.0,,,,
CCOc1ccc(OCCOc2ncnc3ccccc23)cc1,CID4031359,,,,,,0.0,,,,,,,,,,,
CC(C)c1ccc(OCCOc2ncnc3ccccc23)cc1,CID5343275,,,,,,0.0,,,,,,,,,,,
CN/C=C1\C(=O)C(C)(C)Oc2ccc3ccc(=O)oc3c21,CID3115287,,,,,0.0,,,,0.0,,,,0.0,,,0.0,
CC1(C)Oc2ccc3ccc(=O)oc3c2/C(=C/N)C1=O,CID2245802,0.0,,,0.0,0.0,,,,,,,,0.0,,,,
CC1(C)Oc2ccc3ccc(=O)oc3c2/C(=C/NCCO)C1=O,CID5771282,,,,,,,,,,0.0,,,,,,0.0,
Cc1nnc(NC(=O)c2sc3ccccc3c2Cl)s1,CID720474,,,,0.0,,,,,0.0,,,,,0.0,,,0.0
COCc1nnc(NC(=O)c2sc3ccccc3c2Cl)s1,CID889681,,0.0,0.0,,,,,,,,,,0.0,,,,
CC(C)c1nnc(NC(=O)c2sc3ccccc3c2Cl)s1,CID890055,,,,,,,,,0.0,,,,,0.0,0.0,,
CCCSc1nc2c(=O)[nH][nH]c(=O)c2n1Cc1ccccc1,CID1779945,,,,,,,,,0.0,,0.0,,,,,,
CC(C)CSc1nc2c(=O)[nH][nH]c(=O)c2n1Cc1ccccc1,CID5199919,,,,,,,,,,0.0,,,,,,,
CCCCSc1nc2c(=O)[nH][nH]c(=O)c2n1Cc1ccccc1,CID262552,,,,,,,,,,,0.0,,,,,,
CCc1c(C)nc(N)nc1N1N=C1SCC#N,CID2224612,,,,,,,,,,0.0,,,,,,,
CCc1c(C)nc(N)nc1N1N=C1SC,CID971616,,,,,,,,,,0.0,,,,,,,
CCc1c(C)nc(N)nc1N1N=C1SCC(N)=O,CID2222480,,,,,,,,,,0.0,,,,,,,
O=C(Cn1c(NCCO)nc2ccccc21)NCCc1ccccc1,CID2997960,,,,,,,0.0,0.0,0.0,,0.0,,0.0,,,0.0,
CC(O)CNc1nc2ccccc2n1CC(=O)NCCc1ccc(Cl)cc1,CID4883097,,,,,,,,,,,0.0,,,,,,
O=C(Cn1c(NCCO)nc2ccccc21)NCCc1ccc(F)cc1,CID3958112,,,,,,0.0,,,,,,,,,,,
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cc2ccc(C)cc2[nH]c1=O,CID646662,,,0.0,,,,,,,,,0.0,,,,,
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc2cc(C)ccc2[nH]c1=O,CID645054,0.0,0.0,0.0,0.0,,,0.0,,0.0,,,0.0,0.0,,,,0.0
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc2ccc(C)cc2[nH]c1=O,CID652775,,,,,,,,,0.0,,,0.0,0.0,,,,
O=C(NC1CCCC1)C(c1ccco1)N(Cc1ccccc1)C(=O)c1csnn1,CID646663,0.0,,0.0,,0.0,,,,,,,,,,0.0,0.0,
Cc1ccc(C(C(=O)NC2CCCC2)N(Cc2ccc(F)cc2)C(=O)c2csnn2)o1,CID644613,0.0,,0.0,0.0,0.0,0.0,,0.0,,0.0,,,0.0,,,,
Cc1ccc(CN(C(=O)c2csnn2)C(C(=O)NC2CCCC2)c2ccc(C)o2)cc1,CID3219385,,,,,,,,,,,0.0,,,,,,
CN(C)c1ccc(-c2nnn(CC(=O)Nc3ccccc3N3CCOCC3)n2)cc1,CID646660,,0.0,,0.0,,,,,,,0.0,,,,,,
O=C(Cn1nnc(-c2ccccc2)n1)Nc1ccccc1N1CCOCC1,CID646319,,0.0,,,,,0.0,,,,,0.0,,,,,
Cc1ccc(-c2nnn(CC(=O)Nc3ccccc3N3CCOCC3)n2)cc1,CID644884,,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1coc(CNC(=O)c2c(C)oc3c2CCCC3)c1,CID646669,,,0.0,,,0.0,0.0,,,0.0,,,,,,0.0,
CCOC(=O)c1cc(C(C)(C)C)oc1CNC(=O)c1c(C)oc2c1CCCC2,CID1154664,,,,,,,,,,,,0.0,,,,,
Cc1oc2c(c1C(=O)NCc1cc(C(=O)O)co1)CCCC2,CID674054,,,0.0,,,,,0.0,,,,,0.0,,,0.0,
CCOC(=O)/C=C1\SCC(=O)N1CC(=O)Nc1ccc(C(C)C)cc1,CID2433328,,,,,,0.0,,,,,0.0,,,,,,
CCOC(=O)/C=C1\SCC(=O)N1CC(=O)Nc1ccccc1OC(F)F,CID2128917,,,0.0,,0.0,,,0.0,,,0.0,0.0,0.0,,,,
CCOC(=O)/C=C1\SCC(=O)N1CC(=O)Nc1cccc(F)c1,CID2435457,,,,,,,,,,,,,,0.0,,,
COc1ccc(OC)c2c(C)cc(N3CCCN(C)CC3)nc12,CID872146,,,,,0.0,,,,,,,0.0,,,,,
Cc1cc(N2CCCN(C)CC2)nc2cc(Cl)ccc12,CID870284,0.0,,,,,,,,,,,,,,,,
CCOCCCNC(=S)N1CCCN(c2nc3cc(C)c(C)cc3cc2C#N)CC1,CID3221605,,,,,,,,,,,,,,,0.0,,
Nc1nnc(-c2cc3ccccc3oc2=O)s1,CID399108,,0.0,,0.0,,,,,,0.0,,0.0,0.0,,,,0.0
CNc1nnc(-c2cc3cc(Cl)ccc3oc2=O)s1,CID1121878,,,,,,,,,,,,,,,0.0,,
CNc1nnc(-c2cc3ccccc3oc2=O)s1,CID3244772,,,,,,,,0.0,,,,,,,,0.0,0.0
CCOC(=O)CNC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccco1,CID665267,,,0.0,0.0,0.0,,,0.0,,,,,0.0,,,0.0,0.0
COc1cccc(-c2nnc(SCC(=O)OC(C)C)n2Cc2ccco2)c1,CID665307,,,,,0.0,,,,,,,,0.0,,0.0,,0.0
NC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccco1,CID2042522,0.0,0.0,,0.0,0.0,,,,,,0.0,,,,,,
CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCOCC1)c1ccccc1,CID1007842,,,,,,,,,0.0,,,,,,,,
Cc1ccc(N(C(C)C(=O)Nc2ccccc2C(=O)N2CCOCC2)S(C)(=O)=O)cc1C,CID2977288,,,,,0.0,,,,0.0,0.0,,,,,,,0.0
Cc1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)S(C)(=O)=O)cc1,CID989313,,,,,,,,,0.0,,,,,,,,
CCN(CC)CCN(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C(=S)NCc1ccco1,CID3172791,,,,,,,,,,,,,,0.0,,,
CCc1ccc2[nH]c(=O)c(CN(CCN(CC)CC)C(=S)NCc3ccco3)cc2c1,CID3172637,,,,,,,,,,,,,,,0.0,,
CCN(CC)CCN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=S)NCc1ccco1,CID3172737,,,,,,,,,,,,,,,0.0,,
CCN(Cc1ccccc1)C(c1cc2ccc(C)cc2[nH]c1=O)c1nnnn1CCOC,CID3150078,,,,,,,,,,0.0,,,,,,,
CCN(Cc1ccccc1)C(c1cc2cc(C)ccc2[nH]c1=O)c1nnnn1CCOC,CID654155,,,,0.0,,0.0,,,,0.0,,,,,,,
CCN(Cc1ccccc1)C(c1cc2cc(C)cc(C)c2[nH]c1=O)c1nnnn1CCOC,CID651642,,,,,,,,,,0.0,,0.0,,,,,
Cc1ccc(OCC(=O)N/N=C/c2cccn2C)cc1,CID939856,,,,,,0.0,,,,,,0.0,,,,,
Cc1cccc(C)c1OCC(=O)N/N=C/c1cccn1C,CID739590,,,,,,,,,,0.0,0.0,,,,,,
Cc1ccccc1OCC(=O)N/N=C/c1cccn1C,CID949196,,,,,,,,,0.0,,,0.0,,,,,
Nc1ccc(-c2cnc(-c3ccc(N)cc3)nc2)cc1,CID652390,,,,,,,0.0,,,,,,,,,0.0,
Brc1ccc(-c2ncc(-c3ccccc3)cn2)cc1,CID768098,,,,,,,,,0.0,,0.0,,,,0.0,,
c1ccc(-c2cnc(-c3ccccc3)nc2)cc1,CID755305,,,,,,,,,,,,,,,0.0,,
COc1cccc(-c2cc3nc4c(c(N5CCC6(CC5)OCCO6)n3n2)CCCC4)c1,CID648146,,,,,0.0,,,,,0.0,,,,,,,
Cc1cccc(-c2cc3nc4c(c(N5CCC6(CC5)OCCO6)n3n2)CCCC4)c1,CID654369,0.0,0.0,,,,,0.0,,,,,0.0,,,,,
COc1ccc(-c2cc3nc4c(c(N5CCC6(CC5)OCCO6)n3n2)CCCC4)cc1,CID649709,0.0,,,,0.0,,,,,,0.0,,0.0,,,,0.0
Cc1ccc(C)c(Cc2c(C)nc3c(C(=O)NCc4ccc5c(c4)OCO5)cnn3c2C)c1,CID5069258,,,,,,0.0,,,,,,,,,,,
Cc1ccccc1Cc1c(C)nc2c(C(=O)NCc3ccc4c(c3)OCO4)cnn2c1C,CID5103948,,,,,,,,,,,0.0,,,,,,
Cc1nc2c(C(=O)NCc3ccc4c(c3)OCO4)cnn2c(C)c1Cc1ccc(F)cc1Cl,CID5104085,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)c2c(-n3cccc3)c(C(=O)O)sc2n1,CID676133,,,,,,,,,,,,,0.0,,,,
CCCCNC(=O)c1sc2nc(C)cc(COC)c2c1-n1cccc1,CID3236725,0.0,0.0,0.0,,0.0,0.0,,,,,0.0,,,,0.0,0.0,
Cc1cc(C)c2c(-n3cccc3)c(NC(=O)OC(C)C)sc2n1,CID1282601,,,,,,0.0,,,,,,0.0,,,,,
[O-][n+]1onc2c3ccnnc3ccc21,CID919150,,,,,,0.0,,,,,,,,,,,
Cc1cnnc2ccc3c(no[n+]3[O-])c12,CID6401665,,,,,,,,,0.0,,,,,,,,
Cc1cc2c(ccc3c2no[n+]3[O-])nn1,CID2736920,,0.0,0.0,,,,,,,0.0,,,,,,,
COc1ccc2c(c1)CCc1c(C(=O)Nc3cc(C)n(Cc4ccc(Cl)cc4)n3)noc1-2,CID3242904,0.0,,,,,,0.0,,,,,,,,,,0.0
Cc1ccc(Cn2ccc(NC(=O)c3noc4c3CCc3ccccc3-4)n2)cc1,CID6621347,,,,,,,,,0.0,,,,,,,,
COc1ccc2c(c1)CCc1c(C(=O)Nc3ccn(Cc4ccc(C)cc4)n3)noc1-2,CID3240939,,0.0,,,0.0,0.0,,,,0.0,0.0,,,,,,0.0
CCOC(=O)c1c(C)c(-c2ccccc2)n(CC(=O)N2CCCC2)c1C,CID5308451,0.0,,0.0,,,,,,,,,,,,,,0.0
CCOC(=O)c1cc(-c2ccccc2)n(CC(=O)N2CCCC2)c1C,CID3242079,0.0,,,,,,,,0.0,,0.0,,,,,,
CCOC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)N2CCCC2)c1C,CID3236445,,0.0,,,,,,,,,,,0.0,,,,
COc1ccc(-c2c(C)oc3c(CN4CCCCC4C)c(O)ccc3c2=O)cc1OC,CID5307737,,,,0.0,,,,,,0.0,,,0.0,,,0.0,
CCOC(=O)c1oc2c(CN3CCCCC3C)c(O)ccc2c(=O)c1-c1ccc(OC)c(OC)c1,CID5737472,,,,,,,,,,,0.0,,,,,,
COc1ccccc1-c1coc2c(CN3CCC(C)CC3)c(O)ccc2c1=O,CID5348527,,,,,,0.0,,,,,,,,,,,
Cc1cccc(NC(=S)NNC(=O)c2csc(C)c2)c1,CID843691,,,,,,,,,,,,,,,0.0,,
CCc1cc(C(=O)NNC(=S)Nc2cc(C)ccc2C)cs1,CID843487,,,,,,,,,,0.0,,,,,,,
Cc1cccc(NC(=S)NNC(=O)c2csc(C(C)C)c2)c1,CID843765,,,,,,,,,,0.0,,,,,,,
O=C(c1ccc2ccccc2n1)N1CCN(c2ccccc2)CC1,CID2227918,0.0,0.0,0.0,0.0,,,,,,,,,0.0,,,,
COc1ccc(N2CCN(C(=O)c3ccc4ccccc4n3)CC2)cc1,CID847803,,,,,,,,,,,,,,,0.0,,
CC(=O)c1ccc(N2CCN(C(=O)c3ccc4ccccc4n3)CC2)cc1,CID2559336,,,,,,,,,,,,,,0.0,,,
COc1ccc(Nc2c([N+](=O)[O-])ccc3c2=NC2(CCCCC2)N=3)cc1,CID2837730,,,,,,,,,,,,,,,0.0,,
Cc1ccccc1Nc1c([N+](=O)[O-])ccc2c1=NC1(CCCCC1)N=2,CID2842240,,,,,,0.0,,,,,,0.0,,0.0,0.0,,
O=[N+]([O-])c1ccc2c(c1Nc1ccccc1)=NC1(CCCCC1)N=2,CID2837729,,,,,,,,,,,,,,0.0,0.0,,
COc1cccc(NC(=S)NNC(=O)C(C)n2nc(C)c([N+](=O)[O-])c2C)c1,CID4765844,,,,,,,,,,,,,,0.0,,,
Cc1nn(C(C)C(=O)NNC(=S)Nc2ccc(Cl)cc2)c(C)c1[N+](=O)[O-],CID4748288,,,,,,,,,,,,,,0.0,,,
O=C(Cn1nc(C(F)F)cc1C(F)F)NNC(=S)Nc1ccc(F)cc1,CID999141,,,,,,,,,,,,0.0,,,,,
COc1ccc(-c2csc(N3N=C(C)C(C)C3=O)n2)cc1,CID2872363,,,,,,,,,,,,,,0.0,,,
CC1=NN(c2nc(-c3ccc(F)cc3)cs2)C(=O)C1,CID804433,,,,,,0.0,,,,,,,,,,,
CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)C1,CID834376,,,,,,,,,,,,,,0.0,,,
COCCN1C(=O)c2cccc3cccc(c23)C1=O,CID2883353,,,,,,0.0,,,,,,,,,,,
O=C1c2cccc3c(Cl)ccc(c23)C(=O)N1O,CID3236373,,0.0,0.0,0.0,,,,,,,,,,,,,0.0
CCN1C(=O)c2cccc3c(Cl)ccc(c23)C1=O,CID2842933,,,,,,,,,,,,,,0.0,0.0,,
Cc1cn(C(=O)c2ccccc2)c(=S)n1-c1ccc(Br)cc1,CID1229560,,,,,,,,,0.0,,0.0,,,,,,
Cc1ccc(-n2c(C)cn(C(=O)c3ccccc3)c2=S)cc1,CID838691,,,,,,,,,,0.0,,,,,,,
Cc1cn(C(=O)c2ccccc2)c(=S)n1-c1ccc(Cl)cc1,CID838690,,,,,,,,,,0.0,,,,0.0,,,
COc1cc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1NC(=O)c1ccco1,CID5348218,,,,,,0.0,,,,,,,,,,,
COc1cc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1NC(=O)c1ccco1,CID3273206,,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)cc1)c1ccco1,CID2880764,,,,,,0.0,,,,,,,,,,,
COc1ccc(CNC(=O)CSc2nnc(C)s2)cc1,CID763193,,,,,0.0,0.0,0.0,,0.0,0.0,,,,0.0,,,0.0
COc1ccc(CNC(=O)CSc2nnc(C)s2)cc1OC,CID2507305,,,,,,0.0,,,0.0,0.0,0.0,,,0.0,0.0,,
Cc1nnc(SCC(=O)NCc2ccccc2)s1,CID791164,,0.0,0.0,,0.0,,0.0,,,0.0,0.0,,,0.0,0.0,,
Cc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)OCO3)cc1,CID9550691,,,,,,0.0,,,,0.0,,,,,,,
COc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)OCO3)cc1,CID5309877,,1.0,,,,,,,,,,,,,,,
CSc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)OCO3)cc1,CID7299199,,,,,,,,,,0.0,0.0,,,0.0,,,
O=C(CN1C(=O)CCSc2ccccc21)Nc1ccccc1,CID3238540,0.0,0.0,,0.0,0.0,,,,0.0,,,,0.0,,,,
O=C(CN1C(=O)CCSc2ccccc21)Nc1cccc(F)c1,CID3236072,,,,,,,,0.0,,,,,,,,,0.0
O=C(CN1C(=O)CCSc2ccccc21)Nc1ccc(F)cc1,CID3245941,,,,,,,,,,,,,,,0.0,,
Cc1ccc2oc(-c3ccc(NC(=O)c4cccnc4)cc3)nc2c1,CID645017,0.0,,,0.0,,,0.0,,0.0,,,0.0,,,,,
Cc1cc2nc(-c3ccc(NC(=O)c4cccnc4)cc3)oc2cc1C,CID645992,,,0.0,,,,,,0.0,0.0,,,0.0,,,,
O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1cccnc1,CID778969,,,,,,0.0,,,,,0.0,,,,,,
OC(CNc1nc2ccccc2s1)c1ccccc1,CID650649,,,,0.0,0.0,,,,,0.0,,,,,,,
c1ccc(CCNc2nc3ccccc3s2)cc1,CID2404858,,,,,,0.0,,,,,,,,,,,
Clc1ccc(CCNc2nc3ccccc3s2)cc1,CID1439038,,,,,,,,,,0.0,,,,0.0,,,
COc1ccc(S(=O)(=O)N2CCCC(C(=O)NCc3ccco3)C2)cc1Cl,CID2972635,0.0,,,,0.0,,,,,,,0.0,0.0,,,,0.0
Cc1ccc(S(=O)(=O)N2CCCC(C(=O)NCc3ccco3)C2)cc1Cl,CID3214781,,,,,,,,,,0.0,,,,,,,
O=C(NCc1ccco1)C1CCCN(S(=O)(=O)c2ccccc2)C1,CID2972290,,,,,,,,,,,0.0,,,,,,
O=C(NCCc1ccccc1)c1cnc2sccn2c1=O,CID4402608,0.0,0.0,,,,,,,,,,,,,,0.0,
COc1ccc(CCNC(=O)c2cnc3scc(C)n3c2=O)cc1OC,CID4612092,,,,,,,0.0,0.0,,,,,,,,,
Cc1csc2ncc(C(=O)NCCc3ccccc3)c(=O)n12,CID4182430,,,,,,,,,,,,,,,0.0,,
CCn1cc(C(=O)O)c(=O)c2ccc(C)nc21,CID4421,,,,,,,,0.0,,,,,,,,,
CCn1cc(C(=O)NCCOC)c(=O)c2ccc(C)nc21,CID2302000,,,0.0,,,,,,,,,,0.0,,,,
Cc1c(O)[nH]c2ncccc2c1=O,CID1234277,,,,,,,,,,,,,,,0.0,,
Cc1nc(Nc2nc(=O)cc(CSc3nc4ccccc4[nH]3)[nH]2)nc2ccccc12,CID1910311,,,,,,,,,,,,,,,0.0,,
Cc1ccc2c(C)nc(Nc3nc(=O)cc(CSc4nc5ccccc5[nH]4)[nH]3)nc2c1,CID1370694,,,,,,,,,,,,0.0,,,0.0,,
COc1ccc2nc(Nc3nc(=O)cc(CSc4nc5ccccc5[nH]4)[nH]3)nc(C)c2c1,CID1386410,,,,,,,,,,,,,,,0.0,,
COc1cc(C(=O)Nc2cccc3cccnc23)cc(OC)c1OC,CID849591,,,,,,0.0,,,0.0,,0.0,0.0,,,,,
COc1ccc(C(=O)Nc2cccc3cccnc23)cc1OC,CID785994,,,,,,0.0,,,0.0,0.0,0.0,,,,0.0,,
Cc1cc(C(=O)Nc2cccc3cccnc23)ccc1[N+](=O)[O-],CID930537,,,,,,,,,,,,,,,0.0,,
Brc1c(CSc2nncn2-c2ccccc2)nc2sccn12,CID1394374,,,,,,,,,0.0,,,,,,,0.0,
c1ccc(-n2cnnc2SCc2cn3ccsc3n2)cc1,CID658983,0.0,,,0.0,0.0,0.0,0.0,,,0.0,,,,,,,
Cc1csc2nc(CSc3nncn3-c3ccccc3)c(Br)n12,CID658996,,,,,,,,,0.0,,,,,,,,
CCC(Sc1nc(=O)cc(C)[nH]1)C(=O)Nc1ccc(Cl)cn1,CID2945782,,0.0,0.0,0.0,0.0,,,,,,,,0.0,,,,0.0
Cc1cc(=O)nc(SCC(=O)Nc2ccc(Br)cn2)[nH]1,CID2166076,,,,,,,,,0.0,,0.0,,,,,0.0,
Cc1cc(=O)nc(SCC(=O)Nc2ccc(Cl)cn2)[nH]1,CID899219,,,,,,,,,,,,0.0,,,,,
Cc1cc(SCNC(=O)c2ccccc2)ncn1,CID871711,,0.0,,0.0,,,,,,,0.0,,0.0,,0.0,,
O=C(NCSc1ccncn1)c1ccccc1,CID701085,,0.0,,0.0,,,,0.0,,,,,0.0,,,,
Cc1cc(SCNC(=O)c2ccccc2)nc(C(C)C)n1,CID2392581,,,,,,,,,,,,,,,0.0,,
Cc1cccc(NC(=O)/C(C#N)=C\c2cn(CC(=O)O)c3ccccc23)c1,CID2263667,,,,,,,,,,,,,,0.0,,,
Cn1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc21,CID729707,,,,,,,,,,,,,,,0.0,,
Cc1ccccc1NC(=O)/C(C#N)=C\c1cn(CC(=O)O)c2ccccc12,CID5765579,,,,,,,,,,,,,,,0.0,,
COc1ccc(Cl)cc1NC(=O)COc1cccc(-n2cnnn2)c1,CID653774,0.0,0.0,,,,,0.0,,,,,,,0.0,0.0,,
CCOc1ccccc1NC(=O)COc1cccc(-n2cnnn2)c1,CID654404,,0.0,,0.0,,,,0.0,,,,,,,0.0,,
COc1ccccc1NC(=O)COc1cccc(-n2cnnn2)c1,CID647163,,,0.0,,,,0.0,,,,,,,,,,
Cc1occc1-c1nnc(SCC(=O)c2ccccc2)n1CC1CCCO1,CID649271,,,,,,0.0,,,,,,,,0.0,,,
COc1ccc(C(=O)CSc2nnc(-c3ccoc3C)n2CC2CCCO2)cc1,CID645647,,,0.0,0.0,0.0,,,,,,,,,,,0.0,
Cc1occc1-c1nnc(SCC(=O)c2ccc(Cl)cc2)n1CC1CCCO1,CID655641,0.0,,,,0.0,,,,,,,0.0,,,,,
Cc1ccc(SC(C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1,CID2948031,,,,,,,,,0.0,,0.0,,,,,,
Cc1c(NC(=O)C(C)Sc2ccccc2)c(=O)n(-c2ccccc2)n1C,CID2896642,,,,,,,,,,,0.0,,,,,,
Cc1c(NC(=O)CSc2ccccc2Cl)c(=O)n(-c2ccccc2)n1C,CID2330642,,,,,,,,,,,,,,,0.0,,
Cc1noc(C)c1COc1cccc(C(=O)NCc2ccccc2Cl)c1,CID2096922,,,,,,,,,,,,,,0.0,,,
Cc1noc(C)c1COc1cccc(C(=O)NCc2cccc(Cl)c2)c1,CID2096281,,,,,,,,,,,,,,0.0,,,
Cc1ccc(CNC(=O)c2cccc(OCc3c(C)noc3C)c2)cc1,CID2103554,0.0,,0.0,0.0,,,0.0,0.0,0.0,,,0.0,,0.0,,,0.0
Cc1ccc(C(=O)COC(=O)CCc2nc3ccccc3[nH]c2=O)cc1C,CID649893,,,,,,0.0,0.0,,,,,0.0,0.0,,,,
CC(OC(=O)CCc1nc2ccccc2[nH]c1=O)C(=O)c1ccccc1,CID653437,,,0.0,,0.0,,,,,,,,0.0,,,,0.0
CCC(OC(=O)CCc1nc2ccccc2[nH]c1=O)C(=O)c1ccccc1,CID651702,,,0.0,,0.0,,,,0.0,,,,,,,0.0,
O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1nccs1,CID2475600,,,,,,0.0,,,,0.0,0.0,,,,,,
CCOC(=O)Cc1csc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1,CID2998262,,,,,0.0,0.0,,,,,0.0,,,,,,
Cc1csc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1,CID2506795,,,,,,,,,,0.0,,,,,,,
Cc1ccc2c(c1)[nH]c1c(N3CCN(Cc4ccccc4)CC3)ncnc12,CID664077,,,,,,0.0,,0.0,,,,,,,,,
Cc1ccc2[nH]c3c(N4CCN(Cc5ccccc5)CC4)ncnc3c2c1,CID659001,,,,,,,,0.0,,,,,0.0,,,,
c1ccc(CN2CCN(c3ncnc4c3[nH]c3ccccc34)CC2)cc1,CID659717,,,,,,,0.0,0.0,,,,0.0,,,,,
O=S(=O)(c1cccs1)N1CCCc2cccc(O)c21,CID748828,,,,,,,,,,,,,,,0.0,,
CC1CCc2ccc(F)cc2N1S(=O)(=O)c1cccs1,CID2942513,0.0,,,,,,,,,,0.0,,,,,,
O=S(=O)(c1cccs1)N1CCCc2ccccc21,CID2051438,,,,,0.0,,,,,,,,0.0,,,,0.0
CN1c2ccccc2Oc2c(c(=O)n(C)c(=O)n2C)C1c1cccc([N+](=O)[O-])c1,CID3776315,,,,,,0.0,,,,,0.0,,,,,,
Cn1c2c(c(=O)n(C)c1=O)C(c1ccc(Br)cc1)Nc1ccccc1O2,CID659615,0.0,,,,,,0.0,,0.0,,0.0,,,,0.0,0.0,
Cn1c2c(c(=O)n(C)c1=O)C(c1ccc(O)cc1)Nc1ccccc1O2,CID659634,0.0,,,,,,0.0,,,,,,0.0,,,,0.0
O=C(Nc1nncs1)c1cccc(S(=O)(=O)N2CCCC2)c1,CID768189,,0.0,0.0,0.0,0.0,,0.0,,0.0,0.0,0.0,,0.0,0.0,,,
O=C(Nc1nncs1)c1ccc(Br)c(S(=O)(=O)N2CCCC2)c1,CID2204114,,,,,,,,,0.0,,0.0,,,,,,
CCOC(=O)CSc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)s1,CID2064372,,,,,0.0,,,,0.0,0.0,,,,0.0,,,0.0
COc1ccc(N(CC(=O)N2CCCC(C)C2)S(=O)(=O)c2c(C)nn(C)c2C)cc1,CID5307985,0.0,,,,,,,,,,,0.0,0.0,,,,
COc1ccc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2c(C)nn(C)c2C)cc1,CID5308486,,,,,,,,,,,,,,,,0.0,
COc1ccc(N(CC(=O)N2CCC(C)CC2)S(=O)(=O)c2c(C)nn(C)c2C)cc1,CID5308173,,0.0,,0.0,,,,0.0,,,,,,,,,
Cn1c(N2CCCC2)nc2c1c(=O)n(Cc1cccc(F)c1)c(=O)n2C,CID662952,,,,,,,,0.0,,,,,,,,,
Cn1c(N2CCCC2)nc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2C,CID662329,,,,0.0,,,0.0,,,,,,,,,,
Cn1c(N2CCCC2)nc2c1c(=O)n(Cc1ccc(Cl)cc1)c(=O)n2C,CID662349,,0.0,0.0,,,,0.0,,,,,,,,0.0,,
Cc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)C(C(=O)NC(C)(C)C)c3ccco3)n2)o1,CID648700,0.0,,,0.0,,,,0.0,,,,,,,,,0.0
Cc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)C(C(=O)NC(C)(C)C)c3cccs3)n2)o1,CID647537,,,,,,,,,,,0.0,,,,,0.0,
Cc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)C(C(=O)NC(C)(C)C)c3ccc(C)o3)n2)o1,CID651565,0.0,,,,,,,,,,,,,,,0.0,
CC(C)CCN1CC(C(=O)NCc2ccccc2)CC1=O,CID3239373,,,,,0.0,,,,,0.0,,,,,,,0.0
CC(C)CCN1CC(C(=O)NCc2ccc(F)cc2)CC1=O,CID3240092,,,0.0,,,,,,,,,,,,,,
CCCCN1CC(C(=O)NCc2ccc(C)cc2)CC1=O,CID4283575,,,,,,0.0,,,,,,,,,,,
NC(=O)C1=CC(c2coc3ccccc3c2=O)CC(OCCCCO)O1,CID16197161,,,,,,,,,,,,,,,0.0,,
C#CCNC(=O)C1=CC(c2coc3ccccc3c2=O)C(CCCO)C(OCC)O1,CID16197031,,,,,,,,,,,,,,0.0,,,
CCOC1OC(C(=O)O)=CC(c2coc3ccccc3c2=O)C1CCCO,CID6668446,,,,,,,,,,,,,,0.0,,,
COc1ccc(CCNC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)cc1,CID2434181,,,,,,,,,,,,,,0.0,,,
COc1ccc(CCNC(=O)COc2ccc(-c3ccccc3)cc2)cc1OC,CID2480556,,,,,,,,,,,,,,0.0,,,
N#Cc1ccc(-c2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1,CID2537079,,,,,,,,,,,,,,,0.0,,
COc1ccc(NC(=O)C(NC(C)=O)C(=O)NCc2ccccc2Cl)cc1,CID3765655,,,,,,,,,,,,,,,0.0,,
COc1ccc(NC(=O)C(NC(C)=O)C(=O)NCc2ccccc2)cc1,CID3823257,,,,,,,,,,,,,,,0.0,,
COc1ccc(CNC(=O)C(NC(C)=O)C(=O)Nc2ccc(C(C)C)cc2)cc1,CID3380701,,,,,,,,,,,,,,0.0,,,
COc1ccc(CN2C3CCCC2CC(NC(=O)Nc2ccccc2)C3)cc1,CID3218109,,,,,,,,,,,0.0,,,,,,
COc1ccc(CN2C3CCCC2CC(NC(=O)Nc2cccc(C)c2)C3)cc1,CID3218113,,,,,,,,,,,0.0,,,,,,
Cc1ccc(CN2C3CCCC2CC(NC(=O)Nc2cccc(F)c2)C3)cc1,CID3218129,,,,,,,,,,,,,,,0.0,,
CCC(C)N1C(=O)c2ccccc2C1C(=O)NC1CCCCCC1,CID3241153,,,,,,,,,,,0.0,,0.0,,,,0.0
COCCCN1C(=O)c2ccccc2C1C(=O)NC1CCCCCC1,CID3239212,,,0.0,,0.0,0.0,,0.0,,,0.0,0.0,,,,,
CC(C)N1C(=O)c2ccccc2C1C(=O)NC1CCCCCC1,CID3238693,,,,,0.0,0.0,,0.0,,,,0.0,0.0,,,0.0,0.0
O=C(COc1ccc(Cl)cc1)N(Cc1ccccc1)c1nc(-c2ccccc2)cs1,CID3173505,,,,,,0.0,,,,,,,,,,,
COc1ccc(-c2csc(N(Cc3ccccc3)C(=O)COc3ccc(Cl)cc3)n2)cc1,CID1172661,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-c2csc(N(Cc3ccccc3)C(=O)COc3ccccc3)n2)cc1,CID1175894,,,,,,0.0,,,,,,,,,,,
C/C(Cn1nc([N+](=O)[O-])cc1C)=N\NC(=O)c1ccc(O)cc1O,CID903038,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)N/N=C(\C)Cn2nc([N+](=O)[O-])cc2C)cc1,CID839890,,,,,,0.0,,,,,,,,,,,
C/C(Cn1nc([N+](=O)[O-])cc1C)=N\NC(=O)c1ccc(C(C)(C)C)cc1,CID1219425,,,,,,,,,,,,0.0,,,,,
O=C(CSc1nc2n(-c3ccccc3)[nH]cc-2c(=O)n1)N1CCOCC1,CID2152945,,0.0,0.0,0.0,,,,,,,,,0.0,,,,0.0
Cc1ccc(-n2[nH]cc3c(=O)nc(SCC(=O)N4CCOCC4)nc2-3)cc1,CID2153102,,0.0,,,,,,,,,0.0,,,,,,0.0
O=C(CSc1nc2n(-c3ccc(F)cc3)[nH]cc-2c(=O)n1)N1CCOCC1,CID2051860,,,,,,,,,,0.0,,,,,,,
CCSC1(SCC)N=C(N)C2(C#N)C(c3ccc(OC)c(OC)c3OC)C12C#N,CID3235730,,,0.0,,,,0.0,,,,,,,,,,
CCOC1(OCC)N=C(N)C2(C#N)C(c3ccc(NC(C)=O)cc3)C12C#N,CID3244756,,,,,,,,,,,,,0.0,,,,
CCOC1(OCC)N=C(N)C2(C#N)C(c3cccc(OC)c3OC)C12C#N,CID3245384,,,,,,,,0.0,,,,,,,,,
Cc1nc2ccccc2n1CCC(=O)Nc1cccc(F)c1,CID3235737,,,0.0,,,,0.0,0.0,,,,0.0,,,,0.0,
Cc1ccc(NC(=O)CCn2cnc3cc(C)c(C)cc32)cc1,CID861963,,,,,,,,,,,,0.0,,,,,
CC(=O)Nc1cccc(NC(=O)CCn2cnc3cc(C)c(C)cc32)c1,CID645626,,,0.0,0.0,,0.0,0.0,,0.0,,,,,,,,
C/C(=N\OC(=O)c1ccc(F)cc1)c1sc(-c2ccccc2)nc1C,CID2767970,,,,,,0.0,,,,,,,,,,,
C/C(=N\OC(=O)c1cccc(C(F)(F)F)c1)c1sc(-c2ccccc2)nc1C,CID2767969,,,,,,,,,,,,0.0,,,,,
C/C(=N\OC(=O)c1cccc(C)c1)c1sc(-c2ccccc2)nc1C,CID2767968,,,,,,0.0,,,,,,,,,,,
Cc1[nH]c2ccc(-c3n[nH]c(=S)n3C)cc2c1C,CID758269,,,,0.0,,,,,,,0.0,,0.0,,,0.0,
C=CCn1c(-c2ccc3[nH]c(C)c(C)c3c2)n[nH]c1=S,CID799886,,,,,,,,,,,0.0,,,,,,
CCn1c(-c2ccc3[nH]c(C)c(C)c3c2)n[nH]c1=S,CID754482,,,,0.0,,,,0.0,,,0.0,,0.0,,,,
CC(C)(C)c1nc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)c2ccccc2n1,CID1442464,,,,,,0.0,,,,,,,,,,,
O=C(CSc1ncnc2ccccc12)Nc1ccc(N2CCOCC2)cc1,CID2361684,0.0,,,0.0,,0.0,0.0,0.0,0.0,,0.0,,0.0,,,0.0,
CC(C)c1nc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)c2ccccc2n1,CID1442863,,,,,,,,,,,0.0,,,,,,
C=CCn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nc2scc(-c3ccc(F)cc3)c2c1=O,CID982618,,,,,,,,,,,,,,,0.0,,
C=CCn1c(SC(C)C(=O)NCc2ccc3c(c2)OCO3)nc2scc(-c3ccccc3)c2c1=O,CID4553929,,,,,,0.0,,,,,,,,,,,
C=CCn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nc2scc(-c3ccccc3)c2c1=O,CID2132733,,,,,,,,,,0.0,0.0,,,,,,
CCCn1/c(=N/C(=O)c2cccnc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21,CID2155909,,,,,,,,,,,,,,,,0.0,
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC)/c1=N/C(=O)c1cccnc1,CID662340,,,,,,,,,,,,0.0,,,,,
CCOCCCn1/c(=N/C(=O)c2cccnc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21,CID664735,,0.0,,,,,,,,,0.0,0.0,,,,,
COc1ccc(CNC(=O)C(NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)C(C)C)cc1,CID3243160,,,,,0.0,,,,0.0,,,0.0,,,,,
CC(=O)N1CCCc2cc(S(=O)(=O)NC(C(=O)NCc3ccc(C)cc3)C(C)C)ccc21,CID3235656,,,,,0.0,0.0,,0.0,0.0,,0.0,0.0,,,,,
CC(=O)N1CCCc2cc(S(=O)(=O)NC(C(=O)NC(C)c3ccccc3)C(C)C)ccc21,CID3236250,,,0.0,0.0,,,,,0.0,0.0,0.0,,,,,,
Cc1cc(C)c2c(N)c(C(=O)c3ccccc3)oc2n1,CID661617,0.0,,0.0,0.0,0.0,,0.0,,,,,0.0,0.0,,,,0.0
Cc1ccc(C(=O)c2oc3nc(C)cc(C)c3c2N)cc1,CID951154,,,,,,,,,,0.0,,0.0,,,,,
COc1ccc(C(=O)c2oc3nc(C)cc(C)c3c2N)cc1,CID661572,0.0,0.0,,0.0,0.0,,0.0,,0.0,,,,,0.0,,,
CCN1C(=O)N(C)C2(c3ccccc3)N(C)C(=O)N(C)C12c1ccccc1,CID657743,,,0.0,,0.0,,,,,,,,,,,,0.0
CN1C(=O)N(C)C2(c3ccccc3)NC(=O)NC12c1ccccc1,CID657701,,,0.0,,,,,,,,0.0,,,,0.0,,
CN1C(=O)N(C)C2(c3ccccc3)N(C)C(=O)NC12c1ccccc1,CID657756,0.0,,,,,0.0,,,,,,,,,,,
CCOc1ccc(CCNS(=O)(=O)c2cnc[nH]2)cc1OCC,CID3236013,,,0.0,,0.0,,0.0,0.0,0.0,0.0,,,,,,,
Cc1ccc(CCNS(=O)(=O)c2cnc[nH]2)cc1,CID3238138,,,,0.0,,,,,,,,,,0.0,,,
Cc1cccc(CCNS(=O)(=O)c2cnc[nH]2)c1,CID3236770,,0.0,,,,,0.0,,,0.0,,,,,,,
O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccccc1)N1CCCC1,CID3236010,,0.0,,0.0,,,,,,,,,0.0,,,,
COc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)N2CCCC2)c1,CID3243895,,0.0,,,,,,0.0,,,,,,,,0.0,0.0
COc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)N2CCCC2)cc1,CID5201818,,0.0,,,,,,,,,,,0.0,,,0.0,
CCN(CCCNC(=O)CN1C(=O)COc2ccccc21)c1cccc(C)c1,CID3236014,,,,,0.0,0.0,,,,,,0.0,,0.0,,,
CCN(CCCNC(=O)CN1C(=O)COc2ccccc21)c1ccccc1,CID3244149,,,0.0,,0.0,,,,,,,,,,,,0.0
CCCCN(CCCNC(=O)CN1C(=O)COc2ccccc21)c1ccccc1,CID3244847,,,,,0.0,,,,,,,,0.0,,,,
O=c1oc2ccccc2cc1-c1nc(-c2ccccc2)no1,CID851446,,,,,,0.0,,,,,,0.0,,,0.0,,
COc1ccc(-c2noc(-c3cc4ccccc4oc3=O)n2)cc1,CID851436,,,,,,0.0,,,,,,,,0.0,,,
Cc1cccc(-c2noc(-c3cc4ccccc4oc3=O)n2)c1,CID851435,,,,,,0.0,,,,,,,,0.0,,,
Cc1ccc(CC2CC(=O)N(c3ccc(Cl)cn3)C2=O)cc1,CID2945018,,0.0,0.0,,,,,,0.0,0.0,,,0.0,,,0.0,0.0
O=C1CC(Cc2ccc(Cl)cc2)C(=O)N1c1ccccn1,CID2892989,,,0.0,,,,,,,0.0,,,0.0,0.0,,0.0,0.0
O=C1CC(Cc2ccccc2)C(=O)N1c1ccc(Cl)cn1,CID654927,,,0.0,,,,,,,0.0,,,,0.0,,,0.0
CCN1C(=O)/C(=C/c2cccs2)N(C)C1=S,CID2181114,,,,,,,,,,0.0,,,,0.0,0.0,,
Cc1ccc(/C=C2/NC(=S)NC2=O)s1,CID876202,,,,,,0.0,,,,,,,,,,,
CCc1ccc(/C=C2/C(=O)N(CC)C(=S)N2C)s1,CID900275,,,,,,,,,,,,,,0.0,0.0,,
CCOC(=O)c1ccc(NC2=NS(=O)(=O)c3cc(F)ccc3S2)cc1,CID2422420,,,,,,,,,0.0,,,,,,,,
Cc1ccc(NC2=NS(=O)(=O)c3cc(F)ccc3S2)cc1,CID2359839,,,,,,,,,,,,0.0,,,,,
O=S1(=O)N=C(Nc2ccccc2)Sc2ccc(F)cc21,CID2349012,,,,,,,,,,0.0,,,,,,,
COC(=O)c1ccc(CSC2=NN/C(=C3\C=Nc4ccccc43)N2C)o1,CID5310532,,,,,,,,,,0.0,,,,,,,
COCCN1C(SCc2ccc(C(=O)OC)o2)=NN/C1=C1\C=Nc2ccccc21,CID5310287,,,0.0,,,,,,,,,,,,,,
CCN1C(SCc2ccc(C(=O)OC)o2)=NN/C1=C1\C=Nc2ccccc21,CID5310222,,,,,,,,0.0,,,,,,,,,
COc1cc(C(=O)Nc2c(C)cc(C)cc2C)c(-n2cnnn2)cc1OC,CID647702,0.0,0.0,0.0,0.0,,0.0,,,,,,,,,,,
COc1cc(C(=O)Nc2cc(Cl)ccc2C)c(-n2cnnn2)cc1OC,CID650380,0.0,0.0,,,,,0.0,,,,,,,,,,
COc1cc(C(=O)Nc2cc(C)cc(C)c2)c(-n2cnnn2)cc1OC,CID1169534,,,,,,,,,,,,,,0.0,,,
O=C(Cn1cnc2c(nnn2-c2ccc(F)cc2)c1=O)NCC1CCCO1,CID3240452,,0.0,,,,,,,,0.0,,,,,,,
COc1ccc(-n2nnc3c(=O)n(CC(=O)NCC4CCCO4)cnc32)cc1,CID3239502,,,,0.0,,,,,,,0.0,,,,,,
Cc1ccc(-n2nnc3c(=O)n(CC(=O)NCC4CCCO4)cnc32)cc1,CID3238163,,,0.0,,,,,,,,,,,,0.0,0.0,
Cc1cccc(NC(=S)NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1,CID996839,,,,,,0.0,,,,,,,,,0.0,,
O=C(NC(=S)Nc1ccccc1)c1cc(-c2ccccc2)nc2ccccc12,CID1229805,,,,,,,,,,,,0.0,,0.0,,,
Cc1ccccc1NC(=S)NC(=O)c1cc(-c2ccccc2)nc2ccccc12,CID996679,,,,,,0.0,,,,,,,,,,,
CS(=O)(=O)N(CC(=O)NCCSc1ccccc1)c1ccc2c(c1)OCO2,CID2230326,,,,,0.0,,,,,,0.0,,,,,,
CS(=O)(=O)N(CC(=O)NCCSc1ccc(Cl)cc1)c1ccc2c(c1)OCO2,CID2238455,,,,0.0,,,,,0.0,,,,,,,,
Cc1ccc(SCCNC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1,CID2223774,,,,,0.0,,,,,0.0,,,,,,,
COc1ccc(Cn2c(=O)sc3ccccc32)cc1OC,CID651019,,,0.0,,,,,0.0,,,,,,,,,
CC(C)Oc1ccc(Cn2c(=O)sc3ccccc32)cc1,CID1093144,,,,,,,,,,,0.0,,,,,,
COc1ccc(Cn2c(=O)sc3ccccc32)cc1,CID649921,,,,,0.0,,,,,,,,0.0,0.0,,,
O=C(CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1)NCCN1CCOCC1,CID1146208,0.0,,,,0.0,,,,,,,,,,,,0.0
O=C(CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1)NCCN1CCOCC1,CID1140896,,0.0,,,0.0,,,,,,,,,,,,0.0
CC(Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)NCCN1CCOCC1,CID648112,0.0,,,,0.0,,,,,,,,,,,,0.0
Cc1coc2cc3oc(=O)c4c(c3cc12)CCCC4,CID798872,,,0.0,,,0.0,,,0.0,,0.0,,,0.0,,,
Cc1coc2c(C)c3oc(=O)c4c(c3cc12)CCCC4,CID707723,,,,,,0.0,,0.0,0.0,,,,0.0,,,,
Cc1oc2c(C)c3oc(=O)c4c(c3cc2c1C)CCCC4,CID707724,,,,,,,,,,,,,,0.0,,0.0,
CCOC(=O)c1c(C)c(C(=O)NCCN2CCOCC2)c(C)n1C,CID3245696,,,,,,,,0.0,,,,,,,,,
CCOC(=O)c1c(C)c(C(=O)NCCN2CCOCC2)c(C)n1CC,CID3236017,,0.0,,,,,,0.0,,,,,,,,,
CCOC(=O)c1[nH]c(C)c(C(=O)NCCN2CCOCC2)c1C,CID5309370,,,,,,,,,,0.0,,,,,,,
CC(C)CC12CN3CCN(CC(C3)C1O)C2,CID2904952,,,,,,,,0.0,,,,,,,,,
CC(C)C12CN3CCN(CC(C3)C1O)C2,CID2847431,,,,,,,,0.0,,,,,,,,,0.0
CC12CN3CCN(CC(C3)C1O)C2,CID602728,,,,,,,0.0,0.0,,,,,,,,,
Cc1cc(C)cc(OCC(=O)Nc2ccc(N3CCCC3)cc2)c1,CID960705,0.0,,,,,0.0,,0.0,,,,1.0,0.0,,,,
Cc1cccc(OCC(=O)Nc2ccc(N3CCCC3)cc2)c1C,CID806905,0.0,,0.0,,,0.0,,0.0,,,,,0.0,,,,0.0
Cc1ccc(OCC(=O)Nc2ccc(N3CCCC3)cc2)cc1C,CID807549,0.0,,0.0,0.0,,,,,,,,0.0,,,,0.0,
CC(=O)NC1=NN(C(C)=O)C(C)(c2ccc(Br)cc2)S1,CID4396316,,,,,,,,,,,,,,,0.0,,
CC(=O)NC1=NN(C(C)=O)C(C)(c2ccccc2)S1,CID2930014,,,,,,,,,,,,0.0,,,,,
CC(=O)NC1=NN(C(C)=O)C(c2cccc([N+](=O)[O-])c2)S1,CID2872002,,,,,,,,,,,,,,,0.0,,
COc1cc2c(cc1NC(=O)c1cccc(Br)c1)CCCC2,CID1321588,,,,,,,,,,,,,,0.0,,,
COc1cc2c(cc1NC(=O)c1ccc(C(C)(C)C)cc1)CCCC2,CID1122084,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)Nc2cc3c(cc2OC)CCCC3)cc1Br,CID1311513,,,,,,,,,,,,0.0,,,,,
CC(=O)c1ccc(N2CCC(c3cc(-c4ccc(Cl)cc4)n[nH]3)CC2)c([N+](=O)[O-])c1,CID3568512,,,,,,0.0,,,,,,,,,,,
COc1ccc(-c2cc(C3CCN(c4ccc(C(C)=O)cc4[N+](=O)[O-])CC3)[nH]n2)cc1,CID3606819,,,,,,0.0,,,,,,,,,,,
COC(=O)c1ccc(N2CCC(c3cc(-c4ccc(OC)cc4)n[nH]3)CC2)c([N+](=O)[O-])c1,CID3749454,,,,,,0.0,,,,,,,,,,,
COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1,CID650361,,,0.0,,0.0,,,,,0.0,,,,,,,
Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1,CID644661,,,,,0.0,,,,,,,,0.0,,,,
COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1C,CID652280,,,,,0.0,,,,,0.0,,,,,,,
CN1CCN(C(=O)C2(NC(=O)Nc3cccc(F)c3)CCCCC2)CC1,CID648467,,,,,,,,,,,,0.0,,,,0.0,
CN1CCN(C(=O)C2(NC(=O)Nc3ccccc3Cl)CCCCC2)CC1,CID1444561,,,,,,,,,,0.0,,,,,,,
CCN1CCN(C(=O)C2(NC(=O)Nc3cccc(F)c3)CCCCC2)CC1,CID3230450,,,,,,,,,,,,0.0,,,,,
CC(Sc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1,CID2950592,,0.0,0.0,,0.0,,,,0.0,,,0.0,,,,,
CC(Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1,CID2865612,,,,,,,,,,0.0,,0.0,,,,,
Cc1ccc(SC(C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1,CID2948127,,,,,,0.0,,,,,,,,,,,
Cc1cc2ccccc2n2c(SCC(=O)N3CCN(C(=O)c4ccco4)CC3)nnc12,CID655217,,,,,,,,0.0,,,0.0,,,,,0.0,
Cc1ccc2cc(C)c3nnc(SCC(=O)N4CCN(C(=O)c5ccco5)CC4)n3c2c1,CID1153439,,,,,,,,,,,0.0,,,,,,
COc1ccc2c(c1)cc(C)c1nnc(SCC(=O)N3CCN(C(=O)c4ccco4)CC3)n12,CID656383,,0.0,,,,,,,,,,,,,,0.0,
CCn1c(SCC(=O)NCc2cccs2)nc2c1c(=O)n(C)c(=O)n2C,CID655213,0.0,0.0,,0.0,0.0,0.0,0.0,,0.0,0.0,,,,,,,0.0
CCCn1c(SCC(=O)NCc2cccs2)nc2c1c(=O)n(C)c(=O)n2C,CID647239,0.0,,,,0.0,0.0,,,0.0,,,,,,,0.0,0.0
CCCCn1c(SCC(=O)NCc2cccs2)nc2c1c(=O)n(C)c(=O)n2C,CID653480,0.0,,,0.0,0.0,,0.0,,0.0,0.0,,,,,,0.0,
CC1(C)C(=O)Nc2ccccc2N1C(=O)COc1ncnc2ccccc12,CID2553042,,0.0,0.0,,,0.0,,0.0,,,,0.0,,,,,
CC1(C)C(=O)Nc2ccccc2N1C(=O)COc1ncnc2c(Cl)cc(Cl)cc12,CID2484738,,,,,,,,,0.0,,,,,,,,
O=C1CN(C(=O)COc2ncnc3ccccc23)c2ccccc2N1,CID2522626,,,,,,,,,,,0.0,0.0,,,,,
Cn1c(SCC(=O)Nc2nccs2)nnc1-c1ccncc1,CID1094276,,0.0,,0.0,,,,,,,,,,,,0.0,
Cc1csc(NC(=O)CSc2nnc(-c3ccncc3)n2C)n1,CID645763,,0.0,,0.0,,,0.0,,,,,,,,,0.0,0.0
CCn1c(SCC(=O)Nc2nccs2)nnc1-c1ccncc1,CID977261,,1.0,,,,,,,,,,,,,,,0.0
Cc1cc(C(=O)Nc2cc(C)n(Cc3ccc(Cl)cc3)n2)no1,CID3237514,0.0,,,0.0,,,,,,,0.0,,,,,0.0,0.0
Cc1ccc(Cn2ccc(NC(=O)c3cc(CC(C)C)on3)n2)cc1,CID5308157,0.0,,,,,,,0.0,,0.0,,,,,,,
Cc1ccc(Cn2ccc(NC(=O)c3cc(C(C)C)on3)n2)cc1,CID5308341,0.0,0.0,,,,0.0,,,,,,,,,,,
O=C(CN1CCN(c2ccccc2F)CC1)c1ccc2cc[nH]c2c1,CID5309171,,,0.0,,,,,,0.0,,,,,,,,
COc1ccccc1N1CCN(CC(=O)c2ccc3ccn(C(C)=O)c3c2)CC1,CID5307983,0.0,,,,,0.0,,,,,,,,,,,
O=C(CN1CCN(c2ccccc2)CC1)c1ccc2cc[nH]c2c1,CID9550760,,,,,,0.0,,,,,,,,,,,
O=C1CC(c2cc3c(cc2Br)OCO3)C2=C(CCCC2=O)N1,CID3239888,0.0,,,,,,,,0.0,,,,,,,,0.0
CC1(C)CC(=O)C2=C(C1)NC(=O)CC2c1cc2c(cc1Br)OCO2,CID3241274,0.0,,,,,,,,0.0,,0.0,0.0,,,,,0.0
O=C1CC(c2ccc3c(c2)OCO3)C2=C(CCCC2=O)N1,CID2997085,,,,,,,,0.0,,,,0.0,,,,0.0,0.0
O=C(NCCCN1CCOCC1)c1ccc(CS(=O)(=O)c2c(Cl)cccc2Cl)o1,CID5308805,,,,,,,,,,,,,0.0,,,,
O=C(NCCCN1CCOCC1)c1ccc(CS(=O)(=O)c2cccc(C(F)(F)F)c2)o1,CID3244186,0.0,,,,0.0,,,,,,,,0.0,,,,0.0
O=C(NCCCN1CCOCC1)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1,CID5309143,0.0,,,,,,,,,,,,,,,0.0,
CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)NC2c1ccc(Br)o1,CID2925038,,,,,,,,,,,0.0,,,,,,
CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)NC2c1ccco1,CID3107510,,,,,,,,,0.0,,0.0,,,,,,
O=C1CCCC2=C1C(c1ccco1)Nc1ccc3ccccc3c12,CID2899875,,,,,,1.0,0.0,,,,0.0,,0.0,,,,
CC(C)(C)Nc1nc(SCc2ccccc2)nc(N2CCOCC2)n1,CID1091694,0.0,,,,0.0,,,,,,0.0,,0.0,,,0.0,
CNc1nc(SCc2ccccc2)nc(N2CCOCC2)n1,CID972073,,0.0,0.0,,0.0,,0.0,0.0,,0.0,0.0,,,,,,
CCNc1nc(SCc2ccccc2)nc(N2CCOCC2)n1,CID2240651,,0.0,0.0,,0.0,,,,,,0.0,0.0,,,,,
CCOc1ccccc1N1CCN(CC(=O)Nc2cc(C)on2)CC1,CID2574405,,,,,,,,,,,,,,,0.0,,
Cc1cc(NC(=O)CN2CCN(c3ccccc3O)CC2)no1,CID2530022,,0.0,,,,,,,,,,0.0,,,0.0,,
Cc1cc(NC(=O)CN2CCN(c3ccc(O)cc3)CC2)no1,CID2460166,,,,,,,,,,,0.0,,,0.0,,,
CN1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1,CID782774,0.0,,,,,,,,,,,0.0,,,,,
CCN1CCN(Cc2ccc(OCc3ccccc3)c(OC)c2)CC1,CID782972,,,,,,,,,,,,0.0,,,,,
CCN1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1,CID782983,,,,,,,,0.0,,,,0.0,,,,,
Cc1cc(C(=O)O)c(CSc2ncn[nH]2)o1,CID661582,,,0.0,,,,,,,0.0,,,0.0,,,,
CCOC(=O)c1ccc(CSc2ncn[nH]2)o1,CID660624,,,,,,,,0.0,,,,,,,,,
COC(=O)c1ccc(CSc2ncn[nH]2)o1,CID2893905,,0.0,,,,,0.0,,,,,,,,,,
O=C(/C=C/c1ccc(Cl)cc1)NCc1cccs1,CID897764,,,,,,,,,,,,,,0.0,,,
O=C(/C=C/c1ccccc1Cl)NCc1cccs1,CID896676,,,,,,,,,,,,,,0.0,0.0,,
O=C(/C=C/c1ccc(Br)cc1)NCc1cccs1,CID887870,,,,,,,,,,,,,,0.0,,,
O=C(c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)CS2)N1CCOCC1,CID3242500,,,,,,,,,,,,,,,,,0.0
O=C(c1ccc2c(c1)N(Cc1ccccc1)C(=O)CS2)N1CCOCC1,CID3236400,,,,,,,,,,0.0,,,0.0,,,,
Cc1ccccc1CN1C(=O)CSc2ccc(C(=O)N3CCOCC3)cc21,CID3237423,0.0,,,,,,,0.0,,0.0,,,,,,,0.0
CC1=C/C(=C2/CC(c3ccco3)=Nc3ccccc3N2)C(=O)C=C1,CID5419750,,,,,,,,,,,,0.0,,,,,
O=C1C=CC=C/C1=C1/CC(c2ccco2)=Nc2ccccc2N1,CID5771720,,,,0.0,,,,,,0.0,,,,,,0.0,
CC1=CC(=O)/C(=C2\CC(c3ccco3)=Nc3ccccc3N2)C=C1,CID5909148,,,,,,0.0,,,,,,,,,,,
CC(C(=O)NCc1ccccc1)N1C(=O)C2CC=CCC2C1=O,CID9552041,,,,,,,,,,0.0,,,,,,,
CC(C(=O)NCc1ccccc1)N1C(=O)C2CC=C(Cl)CC2C1=O,CID2946270,,,,,,,,,,,,,,,,0.0,
O=C(CN1C(=O)C2CC=C(Cl)CC2C1=O)NCc1ccccc1,CID2870963,,,0.0,,,,,,,0.0,,0.0,,,,0.0,
Nc1ncnc2c1ncn2CCOc1ccccc1,CID783815,,,,0.0,,,0.0,0.0,,,,0.0,0.0,,0.0,,
Cc1ccc(OCCn2cnc3c(N)ncnc32)cc1,CID584317,,,,,,0.0,,,,,,0.0,,,0.0,,
Cc1ccccc1OCCn1cnc2c(N)ncnc21,CID757354,,,,,,,,,,,,0.0,,0.0,,,
Cc1cc(N2C(=O)C3CC=CC(C)C3C2=O)no1,CID3744712,,,,,,,,,,0.0,,,,,,,
Cc1cc(N2C(=O)C3CC=CCC3C2=O)no1,CID3149893,,,,,,,,,0.0,0.0,,,,,,,
CC1=CCC2C(=O)N(c3cc(C)on3)C(=O)C2C1,CID340723,,,,,,,,,,0.0,0.0,,,,,,
COc1cc2c(cc1OC)-c1nnc(-c3ccco3)n1C1(CCCC1)C2,CID1039593,,,,,,,,,,,,0.0,,,,,
c1coc(-c2nnc3n2C2(CCCC2)Cc2ccccc2-3)c1,CID748258,,0.0,,0.0,,,,,,0.0,,0.0,,,,0.0,
Brc1ccc(-c2nnc3n2C2(CCCC2)Cc2ccccc2-3)o1,CID1048508,,,,,,,,,0.0,,,,,,,,
CCOC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccco1,CID2178805,,,,,,,,,,,,,,0.0,,,
CC(C)OC(=O)/C(=C/c1ccc(Br)cc1)NC(=O)c1ccco1,CID2179577,,,,,,,,,,,,,,,0.0,,
COC(=O)/C(=C/c1ccc(OC)cc1)NC(=O)c1ccco1,CID2180781,,,,,,,,,,,,,,0.0,0.0,,
CC1CN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2c(F)cccc2Cl)CC(C)O1,CID662841,,,,,,,0.0,,,,,,,,,,
CC1CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2F)CC(C)O1,CID656156,,,0.0,,,,,,,,,,,,,,
CC1CN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2c(Cl)cccc2Cl)CC(C)O1,CID662485,0.0,,,,,,0.0,,,,,,,,,,
COc1ccc(C2CC(c3ccc(OC)cc3)N3NC(NC(=O)c4cccs4)=NC3=N2)cc1,CID5783449,,,,,,,,,,,,0.0,,,,,
COc1ccc(C2CC(c3ccccc3)N=C3N=C(NC(=O)c4cccs4)NN32)cc1,CID5389788,,,,,,,0.0,,,,,,,,,,
COc1ccc(C2CC(c3ccccc3)N3NC(NC(=O)c4cccs4)=NC3=N2)cc1,CID5389863,,,0.0,,,,,,,,,,,,,,
O=C(c1cc(-c2ccccc2Cl)on1)N1CCN(C(=O)c2ccco2)CC1,CID1093880,,,,,,,,,,0.0,,,,,,,
Cc1ccc(-c2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)no2)cc1,CID1093808,,,,,,,,,0.0,,,,,,,,
O=C(c1cc(-c2ccccc2)on1)N1CCN(C(=O)c2ccco2)CC1,CID1093755,,,0.0,,,,,0.0,0.0,,,,,,,,0.0
COC(=O)c1ccc(NC(=O)Cn2nnc(-c3cccs3)n2)cc1,CID862058,,,,,,,,,,,,,,,0.0,,
Cc1cccc(NC(=O)Cn2nnc(-c3cccs3)n2)c1C,CID650135,,0.0,,0.0,0.0,,,,,,,,0.0,,,0.0,
CCc1ccccc1NC(=O)Cn1nnc(-c2cccs2)n1,CID646110,,,,0.0,0.0,,0.0,,,,0.0,,,,0.0,0.0,
COc1ccc(C2=CC(c3sccc3C)N3NN=NC3=N2)cc1,CID5771486,,,,,,,,0.0,,,,,,,,,
COc1cccc(C2=CC(c3cccs3)N3NN=NC3=N2)c1,CID5739164,,,,,,,,,,,,,,,0.0,,
C1=C(c2ccccc2)N=C2N=NNN2C1c1cccs1,CID5769232,,,,,,0.0,,,,,,,,,,,
Cc1nc(NCCc2ccccc2)c2oc3ccccc3c2n1,CID3932483,,,,,,,,,,,,,,0.0,,,
COc1ccc(CCNc2nc(C)nc3c2oc2ccccc23)cc1OC,CID664728,,0.0,,,,,,,,,,0.0,,,,,
Cc1nc(NC(Cc2ccccc2)C(=O)O)c2oc3ccccc3c2n1,CID7529431,,,,,,,,,,,0.0,,,,,,
COC(=O)C1C(=O)c2c([nH]c(C(=O)OC3CCCC3C)c2C)CC1C,CID2986547,,,0.0,,,,,,,,,,,,,,0.0
Cc1c(C(=O)OC2CCCC2C)[nH]c2c1C(=O)CCC2,CID2997073,,,0.0,,,,,,,0.0,0.0,,0.0,,,,0.0
COC(=O)C1C(=O)c2c([nH]c(C(=O)OC3CCCC3)c2C)CC1C,CID3243931,,,,,,,,,,,,,,,,,0.0
CSc1nc2ccccc2cc1/C=C(\C#N)c1cccc(Cl)c1,CID6183794,,,,,,0.0,,,,,,,,,,,
CSc1nc2ccccc2cc1/C=C(\C#N)c1cccc(C)c1,CID1481603,,,,,,0.0,,,,,,,,,,,
CSc1nc2ccccc2cc1/C=C(\C#N)c1ccccc1,CID1481604,,,,,,0.0,,,,,,,,,,,
Cn1c(CN2CCCC2)nc2cc(NS(=O)(=O)c3ccccc3)ccc21,CID1250592,0.0,,,0.0,0.0,,0.0,,,,,,,,,0.0,0.0
Cn1c(CN2CCCC2)nc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21,CID1956115,,,,,,,,,,,,0.0,,,,,
Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)nc(CN2CCCC2)n3C)cc1,CID1961577,,,,,,0.0,,,,,0.0,,,,,,
Cc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)NC2CCCCC2)cc1,CID3245331,0.0,,,,,,,,,,,0.0,,,,0.0,
Cn1cccc1Cc1nnc(SCC(=O)NC2CCCCC2)n1-c1ccc(F)cc1,CID5309704,0.0,,,0.0,,,,,,,,,,,,,
COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)NC2CCCCC2)cc1,CID5307607,0.0,,,,,,,,,,0.0,,,,,0.0,
CC(=O)OC(C(=O)NC1CCCCC1)c1ccncc1,CID646374,,,0.0,0.0,,,,0.0,,0.0,,,,,,,
CCC(C)N(C(=O)C(F)(F)F)C(C(=O)NC1CCCCC1)c1ccncc1,CID3216352,,,,,,,,,0.0,,,,,,,,
CC(C)N(C(=O)C(F)(F)F)C(C(=O)NC1CCCCC1)c1ccncc1,CID3216344,,,,,,,,,0.0,,,,,0.0,,,
O=C(c1ccco1)N1CCN(c2ncnc3c(-c4ccccc4)nsc23)CC1,CID646378,0.0,,,,,,,0.0,,,,,,,,0.0,
Cc1ccc(-c2nsc3c(N4CCN(C(=O)c5ccco5)CC4)ncnc23)cc1,CID650513,0.0,,,0.0,,,,,,,0.0,,,,,0.0,
COc1ccc(-c2nsc3c(N4CCN(C(=O)c5ccco5)CC4)ncnc23)cc1,CID649590,,,,,,0.0,,,,,,,0.0,0.0,,0.0,0.0
COc1ccc(Nc2cc(C(=O)NCCCN3CCN(C)CC3)c3ccccc3n2)cc1,CID3242100,,,,0.0,,,0.0,,0.0,,,,,,,0.0,
COc1ccc(Nc2cc(C(=O)NCCCN3CCN(C)CC3)c3ccccc3n2)c(OC)c1,CID3240063,,,0.0,,,,,,0.0,,,,,,,0.0,0.0
COc1ccc(Nc2cc(C(=O)NCCCN3CCN(C)CC3)c3ccccc3n2)cc1OC,CID3238577,,,,,,,,,0.0,,0.0,,,,,,0.0
COc1ccc(N(Cc2ccco2)C(=O)c2ccccc2F)cc1OC,CID665556,,,0.0,,,,,,,,,0.0,,,,,
O=C(c1ccc(Cl)c(Cl)c1)N(Cc1ccco1)c1ccc(O)cc1,CID1259859,,,,,,,,,,0.0,,,0.0,,,,
Cc1ccc(N(Cc2ccco2)C(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1,CID1242717,,,0.0,,0.0,,0.0,0.0,,0.0,,,0.0,0.0,,,
COc1ccccc1OCC(=O)NCCSCc1ccc(Cl)cc1,CID2292128,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1CSCCNC(=O)COc1ccc(Cl)cc1,CID2177892,,,,,,,,,,,,,,0.0,,,
O=C(COc1ccccc1)NCCSCc1ccccc1Cl,CID2281988,,,,,,,,,,,,,,0.0,,,
Cc1ccc(-c2nc3s/c(=C\c4ccco4)c(=O)n3n2)cc1,CID682894,0.0,0.0,,,0.0,0.0,0.0,,,,,,0.0,0.0,,,
Cc1ccc(/C=c2\sc3nc(-c4ccccc4Br)nn3c2=O)o1,CID662189,0.0,,,,,,0.0,,,,,,,,,0.0,
O=c1/c(=C/c2ccco2)sc2nc(-c3ccccc3Br)nn12,CID662559,0.0,,,,,,,,,,0.0,,,,,0.0,0.0
Cc1[nH]n(-c2ccccc2)c(=O)c1-c1ccccc1,CID678578,0.0,,,,,0.0,,0.0,,,,,,,,,
Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1-c1ccc(Cl)cc1,CID1486555,,,,,,,,,,,,0.0,,,,,
Cc1[nH]n(-c2ccccc2)c(=O)c1-c1cccc(Cl)c1,CID1486560,,,,,,,,,,,,,,0.0,,,
CS(=O)(=O)N1CCN(C/C=C/c2ccccc2)CC1,CID750930,,,,,,,,,,0.0,,,,,,,
CCOC(=O)N1CCN(C/C(C)=C/c2ccccc2)CC1,CID782678,,,,0.0,0.0,0.0,0.0,,,0.0,0.0,0.0,,,,0.0,0.0
CCCCC(CC)C(=O)N1CCN(C/C=C/c2ccccc2)CC1,CID5310767,,,,,,,,0.0,,,,,0.0,,,,0.0
CCCCC(CC)COC1(c2ccccc2)OC(=O)c2ccccc21,CID2844889,,,,,,0.0,,,,,,,,,,,
O=C(O)c1ccc2c(c1)C(c1ccccc1)OC2=O,CID3237238,,,,0.0,,,,0.0,0.0,0.0,0.0,,,,,,
O=C1OC(c2ccccc2)c2ccccc21,CID95365,,,,,,,,,,,,,,0.0,,,
CCn1c(=O)cc(OCC(=O)N(C)C2CCCCC2)c2ccccc21,CID3239727,0.0,,,,,0.0,,,,,,,,,,,0.0
Cn1c(=O)cc(OCC(=O)NC2CCCCC2)c2ccccc21,CID3242451,,,,,,,,,0.0,,,,,,,,0.0
CCn1c(=O)cc(OCC(=O)NC2CCCCC2)c2ccccc21,CID3238463,0.0,,0.0,,0.0,,0.0,,,,,0.0,,,,,
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1,CID645663,,,0.0,,0.0,,,,,,,,,,,0.0,
CC(C)(C)c1ccc(S(=O)(=O)N2CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)cc1,CID1430426,,,,,,,,,,0.0,,,,,,,
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nc4ccc(C)cc4[nH]3)CC2)cc1,CID647092,,,,,0.0,,,,,,0.0,,,,,,0.0
O=c1c2[nH]c3ccc(Br)cc3c2ncn1CCCn1ccnc1,CID659780,,,,,,,,,,,,0.0,,,,0.0,0.0
O=c1c2[nH]c3ccc(F)cc3c2ncn1CCCn1ccnc1,CID659408,,0.0,,0.0,,0.0,,,,,,0.0,,,,,
O=c1c2[nH]c3ccccc3c2ncn1CCCn1ccnc1,CID666996,,0.0,,,,,,,,,,0.0,,,,,0.0
O=C(Nc1ccccc1)c1cc(N2CCOCC2)nc2ccccc12,CID659782,0.0,,,0.0,,,0.0,,,0.0,0.0,,,,,,0.0
Cc1cccc(NC(=O)c2cc(N3CCOCC3)nc3ccccc23)c1,CID659790,0.0,0.0,0.0,,,0.0,,0.0,0.0,,0.0,,,,,,
Cc1ccc(NC(=O)c2cc(N3CCOCC3)nc3ccccc23)cc1,CID659672,0.0,0.0,0.0,,,,,,0.0,0.0,0.0,0.0,,,,,
COC(=O)C(NC(=O)c1ccccc1)(Nc1nccs1)C(F)(F)F,CID659786,0.0,0.0,,,0.0,,,,,,,,,,,,0.0
COC(=O)C(NC(=O)c1ccccc1)(Nc1nc(C)cs1)C(F)(F)F,CID659857,0.0,0.0,,,0.0,,,0.0,,,,,,,,,0.0
COC(=O)C(NC(=O)c1ccc(F)cc1)(Nc1nc(C)cs1)C(F)(F)F,CID659693,0.0,,,,0.0,,,,,,,,,,,,0.0
CC(=O)Oc1ccc(-c2cccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c2)cc1,CID2891812,,,,,,0.0,,,,,,,,,,,
COc1ccc(-c2cccc(C(=O)Nc3ccc(C)cc3)c2)cc1,CID829694,,,,,,,,,,,,0.0,,,,,
CC(=O)Oc1ccc(-c2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)cc1,CID1345524,,,,,,0.0,,,,,,,,,,,
O=C1CC(c2ccccc2)Sc2nc3ccccc3n21,CID2891810,,,,,,0.0,,,,,,,,,,,
COc1ccc(C2CC(=O)n3c(nc4ccccc43)S2)cc1OC,CID2898231,,,,,,0.0,,,,,,0.0,,0.0,,,
COc1cc(C2CC(=O)n3c(nc4ccccc43)S2)cc(OC)c1OC,CID2898272,,,,,,,,,,,,,,0.0,,,
CCCCCn1c(CCNC(=O)c2cccs2)nc2ccccc21,CID3235586,,,,,,,0.0,,,,,0.0,,,,,0.0
CCCn1c(CCNC(=O)c2cccs2)nc2ccccc21,CID751300,0.0,0.0,,0.0,,,,,,,,0.0,0.0,,0.0,,
CCCCn1c(CCNC(=O)c2cccs2)nc2ccccc21,CID2976138,,,,0.0,,,0.0,0.0,,,,0.0,,,,0.0,0.0
Cc1ccc(C)c(C(=O)Nc2cc(C)nn2-c2nc(C)cc(C)n2)c1,CID2395513,,,,,,,,,,,,,,0.0,0.0,,
CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cc(C)nn2-c2nc(C)cc(C)n2)c1,CID2997517,,0.0,,,0.0,,,0.0,,,,,0.0,,,0.0,0.0
Cc1cc(C)nc(-n2nc(C)cc2NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)n1,CID2330766,,,0.0,,0.0,,,0.0,,0.0,0.0,,,,,,
CC(=O)C1(C)N(O)C(C)(C)C(c2ccco2)=[N+]1[O-],CID5160522,,,,,,,,,,,0.0,,,,,,
Cc1ccc(C2=[N+]([O-])C(C)N(O)C2(C)C)o1,CID2884741,,,,,,,,,,0.0,,,,,,,
C/C(=N\O)C1(C)N(O)C(C)(C)C(c2ccco2)=[N+]1[O-],CID661696,,,0.0,,,,,,,0.0,,,,0.0,,,
Cc1cc(C)nc(N/N=C/c2cccc(Cl)c2)n1,CID4126846,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)nc(N/N=C/c2ccccc2)n1,CID2840758,,,,,,,,,,,,0.0,,,,,
C/C(=N\Nc1nc(N)cc(Cl)n1)c1cccc([N+](=O)[O-])c1,CID2842126,,,,,,,,,,,,0.0,,,,,
COC(=O)c1ccc(CC(=O)c2ccc(O)cc2O)o1,CID928629,,,,,0.0,,,0.0,,,,,0.0,,,,
CCCc1cc(C(=O)Cc2ccc(C(=O)OCC)o2)c(O)cc1O,CID765919,,,,,0.0,,,0.0,,,,,0.0,,,,
COC(=O)c1ccc(CC(=O)c2c(C)cc(O)cc2O)o1,CID666522,,,,,0.0,,,,,,,,0.0,,,,0.0
Cn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1cccs1,CID653310,0.0,0.0,,0.0,0.0,0.0,,,0.0,0.0,0.0,,0.0,0.0,,,
CCn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1cccs1,CID2213124,,0.0,,,0.0,,,,,0.0,0.0,0.0,,,0.0,0.0,
CC1CCc2cc(F)ccc2N1C(=O)CSc1nnc(-c2cccs2)n1C,CID648938,0.0,,,,0.0,0.0,,,,,,,,0.0,,,
COCCn1c(SCC(=O)NCCc2ccccc2)nnc1-c1ccco1,CID653311,,0.0,,,,,,,0.0,,,,,,,0.0,
Cn1c(SCC(=O)NCCc2ccccc2)nnc1-c1ccco1,CID860258,,,,,,0.0,,,,0.0,,,,,,,
CCn1c(SCC(=O)NCCc2ccccc2)nnc1-c1ccco1,CID653463,0.0,0.0,,,0.0,,0.0,,,,,,,,,0.0,
O=C(NCc1ccc(F)cc1)C1CCCN1C(=O)NCc1ccccc1,CID653313,,,,0.0,,,,,,,,0.0,,,,,
Cc1ccc(CNC(=O)C2CCCN2C(=O)NCc2ccccc2)cc1,CID3219747,,,,,,,,,,,0.0,0.0,,,,,
O=C(NCc1ccccc1F)C1CCCN1C(=O)NCc1ccccc1,CID644996,,,,0.0,,,,0.0,,,,0.0,,,,,
CC(=O)Nc1cc(NC(C)=O)cc(C(=O)OCC(=O)N2CC(C)OC(C)C2)c1,CID2998170,,,,,,,,0.0,,,,,,,,,0.0
CSc1ccc(Cl)c(C(=O)OCC(=O)N2CC(C)OC(C)C2)c1,CID2998427,,0.0,,,,,,,,0.0,,,,0.0,,,
CSc1ccc(Cl)c(C(=O)OCC(=O)N2CCOCC2)c1,CID2347991,,,,,,,,,,,,,,,,,0.0
CN(C)c1nc(Nc2ccccc2)c(C#N)c(=O)o1,CID2766676,,,,,,,,,0.0,,,,,,0.0,,
CN(C)c1nc(Nc2ccc(Cl)cc2)c(C#N)c(=O)o1,CID1486594,,,,,,,,,,,,,,,0.0,,
COc1ccc(Nc2nc(N(C)C)oc(=O)c2C#N)cc1,CID1486592,,,,,,,,,0.0,,,,,,,,
COc1ccc(/N=C/c2nc(-c3ccccc3)oc2OC(=O)c2ccccc2)cc1,CID1870020,,,,,,,,,,,,,,0.0,,,
CN(C)c1ccc(/N=C/c2nc(-c3ccccc3)oc2OC(=O)c2ccccc2)cc1,CID1910276,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccc(C(=O)Oc2oc(-c3ccccc3)nc2/C=N/c2ccc(N(C)C)cc2)cc1,CID1559125,,,,,,,,,,,,,,0.0,,,
Cc1cc(C(=O)CSc2nnnn2C)c(C)n1CCc1ccc(F)cc1,CID2125848,,0.0,,,0.0,,,,,,,,0.0,,,,
Cc1cc(C(=O)CSc2nnnn2C)c(C)n1CCc1ccc(Cl)cc1,CID2079471,0.0,0.0,0.0,0.0,0.0,0.0,,,,,,,,0.0,,,0.0
COc1ccc(CCn2c(C)cc(C(=O)CSc3nnnn3C)c2C)cc1,CID2999455,0.0,0.0,,,0.0,,,0.0,,,,,,,,,
Cc1ccc(-c2nc(C3CCCN(S(=O)(=O)c4ccc(C(F)(F)F)cc4)C3)no2)cc1,CID3245549,0.0,,,,0.0,,,,,,,,,,,,
Cc1ccc(-c2nc(C3CCCN(S(=O)(=O)c4ccc(C)cc4)C3)no2)cc1,CID3545034,,,,,,,,,0.0,,,,,,,,
Cc1ccc(-c2nc(C3CCCN(S(=O)(=O)c4ccc(C(C)(C)C)cc4)C3)no2)cc1,CID3545033,,,,,,0.0,,,,,,,,,,,
Cc1cc(C)cc(-n2nnc(C(=O)NCc3ccco3)c2N)c1,CID3245543,0.0,0.0,0.0,,,,,0.0,,,,,,,,0.0,
Nc1c(C(=O)NCc2ccco2)nnn1-c1ccccc1,CID3241170,,0.0,,0.0,,,1.0,,,,,,,,,,
Cc1cccc(-n2nnc(C(=O)NCc3ccco3)c2N)c1,CID3237565,,0.0,0.0,,,,,,,,,,,,,,
CCn1c(SCC(=O)NCCc2ccc(Cl)cc2)nnc1-c1cccs1,CID2091546,,,0.0,,,,,,,,,,,0.0,,,
CCn1c(SCC(=O)NCCc2ccc(F)cc2)nnc1-c1cccs1,CID2090465,0.0,0.0,,0.0,0.0,0.0,0.0,,,,0.0,0.0,,,,,
CCn1c(SCC(=O)NCCc2ccccc2)nnc1-c1cccs1,CID1071877,0.0,,,,0.0,0.0,0.0,,0.0,,0.0,,0.0,0.0,,,
COc1cccc(CNC(=O)C(CCSC)NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1,CID3244497,,,,,0.0,,,,,,,0.0,,,,,
COc1ccccc1CNC(=O)C(CCSC)NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C,CID3241327,,,,,0.0,,,,,,0.0,,,,,,
COc1ccccc1CNC(=O)C(CC(C)C)NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C,CID9550515,,,,,,,,,,,,,,,0.0,,
CCCC(=O)Nc1nnc(Sc2ccc(N(C)C)cc2)s1,CID664935,0.0,0.0,0.0,,0.0,,,,0.0,0.0,,,,,,,
CC(C)C(=O)Nc1nnc(Sc2ccc(N(C)C)cc2)s1,CID744045,,,,,,,,,0.0,,,,,,,,
CCC(=O)Nc1nnc(Sc2ccc(N(C)C)cc2)s1,CID879262,0.0,0.0,,,0.0,,0.0,,,,,,,,,,
Cc1cccc2cc(CN(Cc3ccc(F)cc3)C(=O)N3CCOCC3)c(=O)[nH]c12,CID1459283,,,,,,,,,,,0.0,0.0,,,,,
Cc1ccc(CN(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)N2CCOCC2)cc1,CID652740,0.0,,0.0,,0.0,,,0.0,0.0,,,0.0,0.0,,,0.0,
Cc1ccc2[nH]c(=O)c(CN(Cc3ccccc3Cl)C(=O)N3CCOCC3)cc2c1,CID648501,0.0,,,,,,0.0,,,,,,,,,0.0,0.0
COc1cc2c(C(=O)NCc3ccc(C)o3)cn(CC(C)C)c(=O)c2cc1OC,CID3244239,,,,,,,0.0,,,0.0,,,,,,,
CCn1cc(C(=O)NCc2ccco2)c2cc(OC)c(OC)cc2c1=O,CID3242782,,,0.0,,,,,,,,,,,,,0.0,
CCn1cc(C(=O)NCc2ccc(C)o2)c2cc(OC)c(OC)cc2c1=O,CID3241485,,0.0,,,,,0.0,,,,0.0,0.0,,,,,
CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=N/c1ccc(N(C)C)cc1,CID672376,,,,,,0.0,,,,,,,,,,,
CC1=C(C#N)C(=O)N(C)C(=O)/C1=N/c1ccc(N(C)C)cc1,CID3241163,,,,,,,,,0.0,,,,,,,,
CC1=C(C#N)C(=O)N(CCCO)C(=O)/C1=N/c1ccc(N(C)C)cc1,CID3239318,,0.0,0.0,,,,,0.0,0.0,,0.0,,,,,,
Cc1ccc(-n2ncc3c(=O)n(CC(=O)NC4CCCCC4)cnc32)cc1,CID3237445,0.0,,0.0,,,0.0,,0.0,,,,,0.0,,,,
O=C(Cn1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O)NC1CCCCC1,CID5310010,,,,,,,,,,0.0,,,0.0,,,,
Cc1ccc(-n2ncc3c(=O)n(CC(=O)NC4CCCCC4)cnc32)cc1C,CID3242536,0.0,0.0,,,,0.0,,0.0,,,,,0.0,,,,
Cc1ccc(CC2CC(=O)N(C(Cc3ccccc3)C(=O)O)C2=O)cc1,CID3122021,,,,,,,,,,,,,,,0.0,,
COc1ccc(CCN2C(=O)CC(Cc3cccc(C)c3)C2=O)cc1OC,CID2893169,,,,,,0.0,,,,,,,,,,,
COc1ccc(CCN2C(=O)CC(C(C)c3ccccc3)C2=O)cc1OC,CID2878572,,,,,,,,,,,,,,,0.0,,
O=C(CSc1nc(Nc2ccccc2)nc(N2CCOCC2)n1)Nc1ccc([N+](=O)[O-])cc1,CID2975020,,,,,,,,,,,0.0,,,,,,
Cc1ccccc1NC(=O)CSc1nc(Nc2ccccc2)nc(N2CCOCC2)n1,CID1258280,,0.0,,0.0,,,,0.0,,0.0,0.0,,,,,,0.0
O=C(CSc1nc(Nc2ccccc2)nc(N2CCOCC2)n1)Nc1ccccc1Cl,CID1251793,,,,,0.0,,,,,,,,,,,,
Cn1c(=O)c2c(-c3ccc(C(C)(C)C)cc3)n(N3CCOCC3)cc2n(C)c1=O,CID664951,0.0,,0.0,,0.0,0.0,,0.0,,,0.0,,,,,,0.0
Cn1c(=O)c2c(-c3ccccc3)n(N3CCOCC3)cc2n(C)c1=O,CID664815,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2N2CCOCC2)cc1,CID664887,,0.0,,,,,,,,,,,0.0,,,,
COc1ccc(C2(C(=O)NCc3ccco3)CCCC2)cc1OC,CID756635,,,,,,,,,,,0.0,,,,,,
O=C(NCc1ccco1)C1(c2ccc(Br)cc2)CCCC1,CID2214985,,,,,,,,,0.0,,0.0,,,,,,
O=C(NCc1ccco1)C1(c2ccccc2)CCCC1,CID769060,,,,0.0,,,,,,0.0,0.0,,0.0,,,,
COc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccccc3F)c(=O)n2C)cc1,CID664344,,,,,,0.0,,,,,,,0.0,,,,
COc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccccc3F)c(=O)n2C)c(OC)c1,CID666456,,,,,,,,,,,0.0,,,,,,
COc1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccc(F)cc3)c(=O)n2C)c(OC)c1,CID666439,0.0,,0.0,,,0.0,,,,,,,0.0,,,,
COC(=O)CNC(=O)c1cc(-c2ccncc2)nc2c(C)c(Cl)ccc12,CID1257142,,,,,,,,,,,,,,,0.0,,
NC(=O)c1cc(-c2ccncc2)nc2ccc(Cl)cc12,CID2220933,,,,,,,,,,,,,,,0.0,,
c1ccc2nc(-c3ccncc3)ccc2c1,CID1481979,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1ccc(NC(=O)CC2COc3ccccc3O2)cc1,CID2946961,,,,,,,0.0,,,,,,,,,,
COc1ccccc1NC(=O)CC1COc2ccccc2O1,CID2950250,,,,,,0.0,,,,,,,,0.0,,,
Cc1ccc(NC(=O)CC2COc3ccccc3O2)cc1,CID2946070,,,,,,0.0,,,,0.0,0.0,,,,,,
Cc1cccc(C(=O)O/N=C/c2c(N3CCOCC3)n(C)c3ccccc23)c1,CID1477395,,,,,,,,,,,,0.0,,,,,
Cc1ccccc1C(=O)O/N=C/c1c(N2CCOCC2)n(C)c2ccccc12,CID1477394,,,,,,0.0,,,,,,0.0,,,,,
Cc1ccc(C(=O)O/N=C/c2c(N3CCOCC3)n(C)c3ccccc23)cc1,CID1477396,,,,,,0.0,,,,,,0.0,,,,,
c1ccc2[nH]c(CSc3nc4ccccc4s3)nc2c1,CID380674,,,,,,,,,,,,,,,0.0,,
CCn1c(CSc2nc3ccccc3s2)nc2ccccc21,CID594518,,,,,0.0,,,,,0.0,,,,,,,
Cn1c(CSc2nc3ccccc3s2)nc2ccccc21,CID647349,0.0,,0.0,,0.0,,,,,,,,,,,,
COc1ccc(Nc2nnc(SCC(=O)N3CCCC3)s2)cc1,CID2617545,,,,,,0.0,,,0.0,0.0,,,,,0.0,,
CCOc1ccccc1Nc1nnc(SCC(=O)N2CCCC2)s1,CID2589315,,,,,0.0,,,,0.0,,0.0,,,,,,
COc1ccccc1Nc1nnc(SCC(=O)N2CCCC2)s1,CID2611782,0.0,,,0.0,0.0,0.0,,,0.0,,,,0.0,,0.0,,
O=S(=O)(c1ccc(S(=O)(=O)n2cnc3ccccc32)cc1)N1CCCCCC1,CID654375,,,,,0.0,,,,0.0,,0.0,,0.0,,,,0.0
Cc1nc2ccccc2n1S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1,CID645445,,,,,0.0,,,,,0.0,0.0,,0.0,,,,0.0
Cc1cc2ncn(S(=O)(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)c2cc1C,CID1433399,,,,,,,,,,0.0,0.0,0.0,,,,,
Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCCCC1,CID1248971,,,,,0.0,,,,,0.0,,,0.0,,,0.0,0.0
O=C(NCc1ccc2c(c1)OCO2)c1cc(S(=O)(=O)N2CCCCC2)ccc1F,CID3236436,,,,,,,0.0,,,,,,,,,,0.0
O=C(NCc1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)N2CCCCC2)c1,CID1299804,,,,,0.0,,,0.0,,0.0,,0.0,,,,0.0,0.0
Cc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1S(=O)(=O)N1CCCC1,CID1248979,,,,0.0,,,,0.0,,,,,,,,,0.0
O=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N1CCN(c2ccccc2F)CC1,CID1528128,,,,,,,,,,,,,0.0,,0.0,,0.0
O=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N1CCN(c2ccccc2)CC1,CID1528130,,,,,,,,,,,,,,,,,0.0
COCCN1CN=C(Nc2nc(C)c3ccc(C)cc3n2)NC1,CID663697,,0.0,,,,,,,,0.0,,,,,,,
Cc1ccc2c(C)nc(NC3=NCN(C(C)C)CN3)nc2c1,CID664930,,,,,,,0.0,,,,,,,,,,
CCc1ccc2nc(NC3=NCN(CCOC)CN3)nc(C)c2c1,CID2036384,,0.0,0.0,,,,0.0,,,,,,,,,,
Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2Cc2cccnc2)cc1,CID664561,0.0,,,0.0,,0.0,,,,,,,,,,,
COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2Cc2cccnc2)cc1,CID664142,0.0,0.0,,,,,,,,,,,,,,,
Cn1c(=O)c2c(-c3ccccc3)n(Cc3cccnc3)cc2n(C)c1=O,CID664231,,0.0,0.0,,,,,,,,,,,,0.0,,
Cc1nnsc1Sc1ccccc1C(=O)O,CID1475937,,,,,,,,,,,,,,0.0,,,
CN(C)C(=O)c1nnsc1Sc1ccc(Cl)cc1,CID2767038,,,,,,,,,,,,,,0.0,,,
CCCNC(=O)c1nnsc1Sc1ccc(Cl)cc1,CID2767051,,,,,,,,,,,,,,0.0,0.0,,
CCCCn1c(SCC(=O)Nc2cc(C)on2)nc2ccccc2c1=O,CID2609971,,0.0,0.0,0.0,,,0.0,,0.0,,,0.0,,,,0.0,
CCC(C)n1c(SCC(=O)Nc2cc(C)on2)nc2ccccc2c1=O,CID9551951,,,,,,0.0,,,,,0.0,,,,,,
CCCCCCn1c(SCC(=O)Nc2cc(C)on2)nc2ccccc2c1=O,CID2608338,0.0,,,,,,,0.0,,,0.0,,,,,0.0,
Cc1ccnc(N2CCC(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)n1,CID655882,0.0,,0.0,0.0,,,,,,0.0,,0.0,0.0,,,,
O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(c2ncccn2)CC1,CID652265,0.0,0.0,,0.0,,,,,,0.0,,0.0,0.0,,,,0.0
Cc1cc(C)nc(N2CCC(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)n1,CID647340,0.0,,0.0,0.0,,,,,,,,0.0,0.0,,,,0.0
Cc1cc(OCCOCCN2CCCC2)ccc1C(C)C,CID2298439,,0.0,,,,,,,,,0.0,,,,,,
Cc1ccc(C(C)C)cc1OCCOCCN1CCCC1,CID2300063,,,,,,0.0,,,,,,,,,,,
CCOc1cccc(OCCOCCN2CCCC2)c1,CID2296808,,,,,,,,0.0,,,0.0,,,,,,0.0
Cc1cc(C)n(-c2nc3c(c(=O)[nH]c(=O)n3C)n2CC(O)c2ccccc2)n1,CID665692,,,0.0,0.0,,,0.0,,,,,,,,,,
COc1ccc(CCn2c(-n3nc(C)cc3C)nc3c2c(=O)[nH]c(=O)n3C)cc1,CID665678,0.0,0.0,,,,,,0.0,,,,,,,,,
Cc1cc(C)n(-c2nc3c(c(=O)[nH]c(=O)n3C)n2CCc2ccccc2)n1,CID649761,,0.0,,0.0,,,,,,0.0,,,,,,,
O=C(CSCc1ccc(F)cc1)NCc1ccc(F)cc1,CID5045192,,,,,,,,,,,,,,0.0,,,
COc1ccc(CNC(=O)CSCc2ccccc2Cl)cc1,CID774276,,,,,,,,,,,,,,0.0,0.0,,
CC(NC(=O)CSCc1ccc(Br)cc1)c1ccccc1,CID2967445,,,,,,,,,,,,,,0.0,,,
C=CCn1c(=O)/c(=C\c2ccc(F)cc2)s/c1=C(/C#N)c1nnc2n1CCCCC2,CID2999533,0.0,,,0.0,0.0,,,,,,,,0.0,0.0,,,
C=CCn1c(=O)/c(=C\c2ccc(Cl)cc2)s/c1=C(/C#N)c1nnc2n1CCCCC2,CID2999335,0.0,,,0.0,0.0,,,,,,,0.0,,,,,0.0
C=CCn1c(=O)/c(=C\c2ccc(O)cc2)s/c1=C(/C#N)c1nnc2n1CCCCC2,CID2998532,0.0,,,,0.0,,,,,,0.0,,,,,0.0,0.0
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C/c2ccc(C)o2)c1,CID2359366,,,,,,,,,,,,,,,0.0,,
Cc1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3cccc(Cl)c3)c2)o1,CID2122108,,,,,,,,,,,,,,,0.0,,
Cc1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)o1,CID2094276,,,,,,,,,,,,,,,0.0,,
Cc1ccnc(SCCn2c(N3CCOCC3)nc3c2c(=O)[nH]c(=O)n3C)n1,CID666791,,0.0,,,0.0,,,,,,,,,,,,
Cc1ccnc(SCCn2c(N3CCOCC3)nc3c2c(=O)n(C)c(=O)n3C)n1,CID666698,,,,,0.0,,0.0,,,,,,,,,,
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCOCC1)n2CCSc1ncccn1,CID664232,,0.0,,0.0,0.0,,,,,,,,,,,,
CCN(CC)S(=O)(=O)N1CCC(C(=O)NCCN2CCOCC2)CC1,CID3236936,,,,,,,,,,,,,,,,0.0,
CCS(=O)(=O)N1CCC(C(=O)NCCN2CCOCC2)CC1,CID4614751,,,,,,,,,,,,,,0.0,,,
CC(C)CN(CC(C)C)S(=O)(=O)N1CCC(C(=O)NCCN2CCOCC2)CC1,CID3245563,0.0,,,,,,,0.0,,,,,0.0,,,,
Nc1c(C(=O)NCCN2CCOCC2)c2nc3ccccc3nc2n1-c1ccccc1,CID659081,,0.0,0.0,,,,,,,,,,0.0,,0.0,,
Nc1c(C(=O)NCCN2CCOCC2)c2nc3ccccc3nc2n1-c1cccc(F)c1,CID2437446,,,,,,,0.0,,,0.0,,,,0.0,0.0,,
Cc1cccc(-n2c(N)c(C(=O)NCCN3CCOCC3)c3nc4ccccc4nc32)c1,CID2026896,,,,,,,,,,,,,,,,0.0,
COCCn1nnnc1C(c1cc2cc(C)ccc2[nH]c1=O)N1CCCCCC1,CID649785,,0.0,,0.0,,,,,,0.0,,,,,,,
COCCn1nnnc1C(c1cc2c(C)cc(C)cc2[nH]c1=O)N1CCCCCC1,CID652329,,,0.0,,,,,,,,,0.0,,,,,
Cc1ccc2cc(C(c3nnnn3C(C)(C)C)N3CCCCCC3)c(=O)[nH]c2c1,CID655893,,,,,,0.0,,,,,0.0,,0.0,,,0.0,
Cc1cnc(NC(=O)c2c(O)n3c4c(cccc4c2=O)CCC3)s1,CID649780,,0.0,,0.0,0.0,,0.0,,0.0,,,,,0.0,,0.0,0.0
Cc1csc(NC(=O)c2c(O)n3c4c(cccc4c2=O)CCC3)n1,CID652240,,,,0.0,0.0,,0.0,0.0,,,,,,,,0.0,
O=C(Nc1nccs1)c1c(O)n2c3c(cccc3c1=O)CCC2,CID647128,,,,0.0,0.0,,0.0,,0.0,0.0,,0.0,,,,,
C=CCNC(=O)c1c(N)n(-c2ccc3c(c2)OCO3)c2nc3ccccc3nc12,CID659088,,0.0,,,,0.0,,0.0,,,,,,,,,
CCCNC(=O)c1c(N)n(-c2ccc3c(c2)OCO3)c2nc3ccccc3nc12,CID663138,,,,0.0,,,,,0.0,,,,,,,0.0,0.0
COCCCNC(=O)c1c(N)n(-c2ccc3c(c2)OCO3)c2nc3ccccc3nc12,CID662017,,,0.0,,,0.0,,,0.0,,,,,,,,0.0
C=CCn1c(N)c(C(=O)NCC2CCCO2)c2nc3ccccc3nc21,CID659089,,0.0,,,,,0.0,0.0,,,,,,,,0.0,
COCCn1c(N)c(C(=O)NCC2CCCO2)c2nc3ccccc3nc21,CID661682,,,0.0,0.0,,,,,,,,,,,,,0.0
CC(C)Cn1c(N)c(C(=O)NCC2CCCO2)c2nc3ccccc3nc21,CID2998287,,0.0,,,,,,0.0,0.0,,,,0.0,,,,
CCc1ccc(NC=C2C(=O)CC(c3ccco3)CC2=O)cc1,CID760314,,,,,,0.0,,,,,,,,,,,
O=C1CC(c2ccco2)CC(=O)C1=CNc1cc(Cl)ccc1O,CID658836,,,,,,,0.0,,,,,,,,0.0,,0.0
CCOC(=O)c1ccc(NC=C2C(=O)CC(c3ccco3)CC2=O)cc1,CID658726,,,0.0,0.0,,,,,,,,,,,,,
O=C(NCCc1ccccc1)C1CCCN1S(=O)(=O)c1ccc(F)cc1,CID3219589,,,,,,,,,,,0.0,,,,,,
O=C(NCCc1ccccc1F)C1CCCN1S(=O)(=O)c1ccccc1,CID555760,,,0.0,,,,,,,0.0,,,,,,,0.0
NS(=O)(=O)c1ccc(CCNC(=O)C2CCCN2S(=O)(=O)c2ccccc2F)cc1,CID2524341,,,,,,,,,,,,,,0.0,,,
O=C1N=C(N2CCOCC2)S/C1=C1\C(=O)N(Cc2ccccc2)c2ccc(Br)cc21,CID659665,0.0,,,,,,0.0,,,,,,,,,,
Cc1ccc(CN2C(=O)/C(=C3\SC(N4CCOCC4)=NC3=O)c3cc(Br)ccc32)cc1,CID1946922,0.0,,,,,,,,0.0,,,,,,,0.0,0.0
O=C1N=C(N2CCOCC2)S/C1=C1\C(=O)N(Cc2ccccc2)c2ccccc21,CID1905646,,,,,,,,,,,0.0,,,,,,
CC1(C(=O)O)Sc2[nH]c(=O)sc2C2c3ccccc3OC(=O)C21,CID2997745,,,,,0.0,0.0,,,,,,,,,,0.0,
O=C(O)C1Sc2[nH]c(=O)sc2C2c3cc(Cl)ccc3OC(=O)C12,CID664602,,,,,,,,,,0.0,,,,,,,
O=C(O)CC12CSc3[nH]c(=O)sc3C1c1ccccc1OC2=O,CID4476802,,,,,0.0,,,,,,,,0.0,,,,
Nc1ncc2c(n1)CC(c1ccco1)CC2=O,CID2772368,,,,0.0,,,0.0,,0.0,,,0.0,,,0.0,0.0,
CC(=O)Nc1ncc2c(n1)CC(c1ccco1)CC2=O,CID2886431,,,,,,,,,0.0,,,,,,,,
CCC(=O)Nc1ncc2c(n1)CC(c1ccco1)CC2=O,CID3137931,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(C(=O)NC2CCCCC2)N(C(=O)c2ccco2)c2ccc(-n3cnnn3)c(C)c2)cc1,CID3191292,,,,,,,,,,0.0,,0.0,,,,,
CCOc1ccc(C(C(=O)NC2CCCCC2)N(C(=O)c2ccco2)c2ccc(-n3cnnn3)c(C)c2)cc1,CID3191409,,,,,,,,,,0.0,,0.0,,,,,
COc1cccc(C(C(=O)NC2CCCCC2)N(C(=O)c2ccco2)c2ccc(-n3cnnn3)c(C)c2)c1,CID3191353,,,,,,,,,,0.0,,,,,,,
Cc1ccc(NC(=O)N(Cc2cc3cc(C)cc(C)c3[nH]c2=O)CC2COCCO2)cc1,CID645783,,,,0.0,,,0.0,,0.0,,,,,,,,0.0
Cc1cccc(NC(=O)N(Cc2cc3cc(C)cc(C)c3[nH]c2=O)CC2COCCO2)c1,CID3214316,,,,,,,,,,,,0.0,,,,,
COc1cccc(NC(=O)N(Cc2cc3cc(C)cc(C)c3[nH]c2=O)CC2COCCO2)c1,CID655609,,,,,,,,,0.0,,0.0,0.0,,,,,
C/N=C(/Nc1cc(C)nn1CCC#N)c1ccc(F)cc1,CID2324519,,,,,,,,,,,,,,,0.0,,
C/N=C(/Nc1cc(C)nn1CCC#N)c1ccccc1F,CID2324656,,,,,,,,0.0,,,,0.0,,,,,
C/N=C(/Nc1cc(C)nn1CCC#N)c1ccccc1,CID2324502,,0.0,,0.0,,,0.0,,,,,0.0,,,,0.0,
CCc1nnc(NC(=O)C2CCCN2C(=O)Nc2ccccc2OC)s1,CID648805,,0.0,,,,,,0.0,0.0,,0.0,,0.0,,,,
CCOc1ccccc1NC(=O)N1CCCC1C(=O)Nc1nnc(CC)s1,CID648153,,0.0,0.0,,0.0,,,0.0,,,,,0.0,,,0.0,
COc1ccccc1NC(=O)N1CCCC1C(=O)Nc1nnc(C(C)C)s1,CID652135,,0.0,,,0.0,,,,,,,,0.0,,,0.0,0.0
O=S(=O)(CCc1nc2ccccc2s1)c1ccc(Cl)cc1,CID595285,,,,,,,,,0.0,0.0,,0.0,,0.0,0.0,,
COc1ccc(S(=O)(=O)CCc2nc3ccccc3s2)cc1,CID578517,,,,,,,,,0.0,0.0,0.0,,,0.0,,,
Cc1ccc(S(=O)(=O)CCc2nc3ccccc3s2)cc1,CID773538,,,,,,,,,0.0,,,,,0.0,,,
Nc1c(-c2ccccc2)nc(Cl)nc1-c1ccccc1,CID1713557,,,,,,0.0,,,,,,,,,,,
COc1nc(-c2ccccc2)cc(-c2ccc(OC)c(OC)c2)n1,CID629427,0.0,,,,,,0.0,0.0,,,,0.0,0.0,,,,
COc1nc(-c2ccccc2)cc(-c2ccccc2)n1,CID647103,0.0,,,,,,0.0,,,,,,,,0.0,0.0,
CC(c1ccccc1F)n1cc(C(=O)NCCCn2ccnc2)nn1,CID3231013,,,,,,,,,,,0.0,,,,,,
O=C(NCCCn1ccnc1)c1cn(Cc2ccc(F)cc2)nn1,CID647193,,0.0,,0.0,,,,,,,,,0.0,,,,
CC(c1ccccc1)n1cc(C(=O)NCCCn2ccnc2)nn1,CID656039,,,,,,,,0.0,,,,,,,,,
CCOC(=O)/C(C#N)=C1/C=CN(C)C(C)=N1,CID823167,,,,0.0,,,,0.0,0.0,,0.0,0.0,,,,,
CCOC(=O)/C(C#N)=C1\C=CN(C)C(C)=N1,CID823166,,,,,,,,,0.0,,,0.0,,0.0,,,
CCOC(=O)/C(C#N)=C1/C=CN(C)C=N1,CID3245564,,,0.0,,,,,,,,,,,,,,
Brc1ccccc1CN1CCC(N2CCCCC2)CC1,CID756342,,,,,,,0.0,,,,,,,,,0.0,0.0
NC(=O)C1(N2CCCCC2)CCN(Cc2ccccc2)CC1,CID74480,0.0,,,,,,,0.0,,,,,,,,0.0,0.0
NC(=O)C1(N2CCCCC2)CCN(Cc2ccccc2Cl)CC1,CID1860675,0.0,,,,,,,,,,,,,,,0.0,0.0
Cc1cccc(C(CC(=O)N2CCCC2)c2ccccc2)c1O,CID2924548,,,,,,0.0,,0.0,,,0.0,0.0,,,,,
Cc1ccc(O)c(C(CC(=O)N2CCCC2)c2ccccc2)c1,CID4999569,,,,,,,,,,,,,,,,0.0,
Cc1ccc(C(CC(=O)N2CCCC2)c2ccccc2)c(O)c1C,CID650871,,,,0.0,,,0.0,0.0,,,,0.0,,,,,
COc1ccccc1CCn1c(N)c(C#N)c2nc3ccccc3nc21,CID917259,,,,,,,,,,,,0.0,,,,,
COc1ccc(CCn2c(N)c(C#N)c3nc4ccccc4nc32)cc1OC,CID665492,,0.0,,,,,,,,,,,,,,,
N#Cc1c(N)n(CCc2ccc(F)cc2)c2nc3ccccc3nc12,CID853286,,,,,,,,,,,,0.0,,0.0,,,
COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)cc1,CID3236549,,0.0,,,,,,0.0,,,,,,,,,
COc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3c(C)nn(C)c3C)CC2)c1,CID5307435,,0.0,0.0,,,0.0,,,,,,,,,,0.0,
Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(C(=O)NC(C)c2ccccc2)CC1,CID5307629,,,,,,,0.0,0.0,,,,,,,,,
Cc1ccc(-c2noc(-c3ccccc3C(=O)N3CCN(C)CC3)n2)cc1,CID665605,0.0,0.0,,,,,,,,0.0,0.0,,0.0,,0.0,0.0,
CN1CCN(C(=O)c2ccccc2-c2nc(-c3ccccc3)no2)CC1,CID665614,0.0,0.0,0.0,0.0,,0.0,,0.0,,,,0.0,0.0,0.0,0.0,,0.0
CN1CCN(C(=O)c2ccccc2-c2nc(-c3ccc(Cl)cc3)no2)CC1,CID1856074,0.0,,,,0.0,,0.0,,,,,,,,,,
CC1CN/C(=C\C(=O)c2ccccc2)C(=O)N1,CID6023871,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C(=O)/C=C2\NCC(C)NC2=O)cc1,CID6382951,,,,,,,,,,,0.0,,,,,,
Cc1ccc(C(=O)/C=C2\NCCNC2=O)cc1,CID702997,,,,,,,,,,,,0.0,,,,,
Cc1ccc(NC(=O)C(C)N2CCOCC2)c(C(=O)c2ccccc2)c1,CID2926565,,,0.0,,,,,0.0,0.0,,,,0.0,,,,0.0
O=C(CN1CCOCC1)Nc1ccc(Br)cc1C(=O)c1ccccc1,CID1106516,,,,,,,,,0.0,,,,,,,,
CC(C(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1)N1CCOCC1,CID2927331,,,,,,,,,0.0,,,,,0.0,,,
Cc1ccc2oc(-c3ccc(C)c(NC(=O)Cc4cccs4)c3)nc2c1,CID1026560,,,,,,0.0,,,,,,,,,0.0,,
Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)Cc1cccs1,CID839576,,,,,,0.0,,,,,,0.0,,,,,
O=C(Cc1cccs1)Nc1cccc(-c2nc3ccccc3o2)c1,CID728446,,,,,,0.0,,,,,,0.0,,,,,
Cc1cc(=O)oc2cc(OCC(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)ccc12,CID3411874,,,,,,,,,,,,,,0.0,,,
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1,CID2946893,,,,,,,,,,,,,,,0.0,,
CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1,CID5225000,,,,,,,,,,,,,,0.0,,,
Fc1ccccc1CSc1nnc(-c2cnccn2)n1Cc1ccco1,CID1242291,0.0,,,,0.0,,,,,,0.0,,,,,,
Fc1ccc(CSc2nnc(-c3cnccn3)n2Cc2ccco2)cc1,CID662719,0.0,,,,0.0,,,,,,0.0,,,,,,
Brc1ccc(CSc2nnc(-c3cnccn3)n2Cc2ccco2)cc1,CID663136,,,,,,,,,,,,,,,,0.0,0.0
O=C(COc1ccc(Br)cc1)Nc1ccccc1N1CCCC1,CID1308633,,,,,,,,,,,,,,,0.0,,
O=C(COc1ccccc1[N+](=O)[O-])Nc1ccccc1N1CCCC1,CID2187372,,,,,,,,,,,,,,,0.0,,
O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccccc1N1CCCC1,CID888916,,,,,,,,,,,,,,0.0,,,
CCOC(=O)N1CCC(Nc2ncnc3c2cnn3-c2ccccc2)CC1,CID1308631,,0.0,,0.0,,,,0.0,,,,,0.0,,,,
CCOC(=O)N1CCC(Nc2ncnc3c2cnn3-c2ccc(C)cc2C)CC1,CID4250006,0.0,0.0,0.0,,,,0.0,0.0,,0.0,,,,,,,
CCOC(=O)N1CCC(Nc2ncnc3c2cnn3-c2ccc(Cl)cc2)CC1,CID1314791,0.0,,,,,,,,,,,,0.0,,,,
Cc1ccc(Cn2ncc3c(N4CCN(c5ccc(C)cc5)CC4)ncnc32)cc1,CID661907,,,,,,,,,,0.0,,,,,0.0,,
Cc1ccccc1N1CCN(c2ncnc3c2cnn3Cc2ccc(Cl)cc2)CC1,CID1542103,,,,,,,,,,,,,0.0,,,,
Cc1ccc(Cn2ncc3c(N4CCN(c5ccccc5C)CC4)ncnc32)cc1,CID1502520,,,,0.0,,,,,,,,,,,,,
CCc1ccc(/C=C2\SC(=S)N(CCC(=O)NC3=NCCS3)C2=O)cc1,CID1371136,,,,,,,,,,,,,,0.0,0.0,,
COc1ccccc1/C=C1\SC(=S)N(CCC(=O)NC2=NCCS2)C1=O,CID2271808,,,,,,,,,,,,,,0.0,,,
O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)NC1=NCCS1,CID1344686,,,,,,,,,,,,,,0.0,0.0,,
Cn1c(NC(=O)c2ccccc2)c(-c2ccccn2)c(=O)c2ccccc21,CID1960193,,,,,,0.0,,,0.0,,0.0,0.0,,,,,
Cn1c(NC(=O)c2ccc(Cl)cc2)c(-c2ccccn2)c(=O)c2ccccc21,CID1837719,,,,,,0.0,,,,,,,,,,,
COc1cc(C(=O)Nc2c(-c3ccccn3)c(=O)c3ccccc3n2C)cc(OC)c1OC,CID666757,,,0.0,0.0,0.0,,,0.0,0.0,0.0,0.0,,0.0,,,,
Cc1nc(C)c(C(=O)NCc2ccccc2Cl)o1,CID3240328,0.0,0.0,,,,,,,,0.0,,,0.0,,,0.0,
Cc1nc(C)c(C(=O)NCc2ccc(Cl)cc2)o1,CID3240098,0.0,0.0,,,,,,,,0.0,,,,,,0.0,0.0
Cc1ncoc1C(=O)NCc1ccccc1Cl,CID3239621,0.0,0.0,0.0,,,,,0.0,,0.0,,,,,,,0.0
COC(=O)c1cc(-c2c(C)oc3cc(O)ccc3c2=O)c(C)o1,CID5665649,,,,,,,,,,,,,,,,0.0,0.0
COC(=O)c1cc(-c2c(C)oc3cc(OC(C)C)ccc3c2=O)c(C)o1,CID2310760,,,0.0,,,,,,,,,,,,,,
COC(=O)c1cc(-c2c(C)oc3cc(OC)ccc3c2=O)c(C)o1,CID2310770,,,0.0,0.0,,0.0,,,0.0,,,,,0.0,0.0,0.0,
COc1ccccc1CC(=O)Nc1ccc(-c2noc(COc3ccc(Br)cc3)n2)cc1,CID1291616,,,,,,,,,0.0,,0.0,0.0,,,,,
COc1ccc(CC(=O)Nc2ccc(-c3noc(COc4ccccc4C)n3)cc2)cc1,CID3241412,0.0,,,,,,,,,,0.0,,0.0,,,,0.0
COc1ccccc1CC(=O)Nc1ccc(-c2noc(COc3cccc(C)c3C)n2)cc1,CID4457709,,,,,,0.0,,,0.0,,,,,,,,
CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1NCCN1CCOCC1,CID1167248,,0.0,,,,,,,,0.0,,,0.0,,,,
CCOC(=O)c1cnc2c(C)cccc2c1NCCN1CCOCC1,CID702832,0.0,,,0.0,,,,0.0,,,,,0.0,,,0.0,
CCOC(=O)c1cnc2c(C(=O)OC)cccc2c1NCCN1CCOCC1,CID1191454,,,,,,,,0.0,,,,,,,,0.0,
CCC(Oc1ccccc1)C(=O)N1CCN(c2ccccn2)CC1,CID2944676,,0.0,0.0,0.0,,,,,,,,,0.0,,,,
CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccn2)CC1,CID1226363,,,,,,,,,,,,,0.0,0.0,,0.0,0.0
COc1ccc(OC(C)C(=O)N2CCN(c3ccccn3)CC2)cc1,CID3246797,,,0.0,,,,,,,,,,0.0,,,,
Cn1c(NCc2c[nH]c3ccccc23)nc2ccccc21,CID652872,,,,,,,,,,,,,,,,0.0,
CCn1c(NCc2c[nH]c3ccccc23)nc2ccccc21,CID647353,,,,,,,,0.0,,,,,,,,0.0,
CC(C)n1c(NCc2c[nH]c3ccccc23)nc2ccccc21,CID655918,,,,,,,,,,,,0.0,,,,,
Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1noc2c1CCc1ccccc1-2,CID6621377,,,,,,0.0,,,,,,,,,,,
Cc1ccccc1Cn1nc(C)c(NC(=O)c2noc3c2CCc2ccccc2-3)c1C,CID5308876,0.0,0.0,,0.0,,,,,,,,,1.0,,0.0,,
COc1ccc2c(c1)CCc1c(C(=O)Nc3c(C)nn(Cc4ccccc4)c3C)noc1-2,CID9551055,,,,,,,,,,,,,,0.0,,,
Cc1cccc(-n2c(CNC(=O)c3ccccc3)nnc2SCC(=O)Nc2nccs2)c1,CID4394824,,0.0,,,,,,,,,,,0.0,,,0.0,
COc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3nccs3)n2-c2ccccc2)c1,CID5105630,,0.0,0.0,,,,,,,,,,,,,,
COc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3nccs3)n2-c2cccc(C)c2)c1,CID3240294,,,0.0,,,,,,,,,,,,,0.0,
COc1ccccc1NC(=O)COc1cc(C)nc(C(C)C)n1,CID2098906,,,,,,,,,,,,,,,0.0,,
Cc1cc(OCC(=O)Nc2ccccc2F)nc(C(C)C)n1,CID2098909,,,,,,,,,,,,0.0,,,,,
COc1cc(Cl)c(C)cc1NC(=O)COc1cc(C)nc(C(C)C)n1,CID2128334,0.0,,,0.0,,0.0,0.0,,,0.0,,,,,,,
COc1ccc(NC(=O)c2ccc(-n3cccn3)nc2)cc1,CID3792007,,,,,,,,,,,,0.0,,,,,
COc1ccccc1NC(=O)c1ccc(-n2cccn2)nc1,CID4298774,,,,,,0.0,,,,,,,,,,,
COc1cccc(NC(=O)c2ccc(-n3cccn3)nc2)c1,CID4298773,,,,,,0.0,,,,,,,,,,,
CC(C)Cc1nc(NCCN2CCOCC2)c(C#N)c2c1COC(C)(C)C2,CID660281,,,0.0,0.0,,,,,,,,,,,,,
CC(C)c1nc(NCCN2CCOCC2)c(C#N)c2c1COC(C)(C)C2,CID658478,,,,,,,,,,,0.0,,,0.0,,,
CCCCc1nc(NCCN2CCOCC2)c(C#N)c2c1COC(C)(C)C2,CID658504,,0.0,,,,,,,,,,,0.0,,,,
Cc1ccc(C(=O)NC(=S)NCCN2CCOCC2)cc1,CID886422,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)NC(=S)NCCN2CCOCC2)cc1,CID892972,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1C(=O)NC(=S)NCCN1CCOCC1,CID797519,,,,,,,,,,,,,,0.0,,,
O=C(Cn1cc([N+](=O)[O-])cn1)Nc1nc2ccccc2s1,CID1256176,,,,,,,,,,,,0.0,,,,,
Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1nc2ccccc2s1,CID1508884,,,,,,,,,,,,,,0.0,,,
CC(C(=O)Nc1nc2ccccc2s1)n1cc([N+](=O)[O-])cn1,CID4917626,,,,,,,,,,,,,,,0.0,,
Nc1nnc(SCC(=O)N2CCc3ccccc3C2)s1,CID711745,,,,,,0.0,,,,,,,,,,,
Cc1nnc(SCC(=O)N2CCc3ccccc3C2)s1,CID888746,,,,,,,,,,0.0,,,,0.0,,,
COc1cc2c(cc1OC)CN(C(=O)CSc1nnc(C)s1)CC2,CID2200385,0.0,0.0,0.0,,0.0,,0.0,,,0.0,0.0,,0.0,,0.0,0.0,
CC(=C\c1ccccc1)/C=C1/SC(=S)N(C(C(=O)O)C(C)C)C1=O,CID6374319,,,,,,,,,,,,,,,0.0,,
O=C(O)CN1C(=O)/C(=C/C=C/c2ccccc2[N+](=O)[O-])SC1=S,CID1714759,,,,,,0.0,,,,,,,,,,,
CCN1C(=O)/C(=C\C=C\c2ccccc2[N+](=O)[O-])SC1=S,CID2257287,,,,,,,,,,,,,,0.0,0.0,,
COC(=O)CSc1nnc(CSc2nc(C)cc(C)n2)n1Cc1ccco1,CID655745,0.0,,,,0.0,,,,,,,,,,,0.0,0.0
Cc1cc(C)nc(SCc2nnc(SCC(N)=O)n2Cc2ccco2)n1,CID3168334,,,,,,,,,0.0,0.0,,0.0,,,,,
CCOC(=O)CSc1nnc(CSc2nc(C)cc(C)n2)n1Cc1ccco1,CID647573,0.0,,0.0,0.0,0.0,,0.0,,,,0.0,,,,,0.0,0.0
COc1ccc2c(c1)C(=O)N(Cc1ccco1)C(=O)/C2=C/Nc1c(C)n(C)n(-c2ccccc2)c1=O,CID5310906,,,,,,,0.0,,,,,,,,,,
COc1ccc2c(c1)C(=O)N(Cc1ccco1)C(=O)/C2=C\Nc1c(C)n(C)n(-c2ccccc2)c1=O,CID5567858,,,,,,,,,,,,,,,0.0,,
Cc1c(N/C=C2\C(=O)N(Cc3ccco3)C(=O)c3ccccc32)c(=O)n(-c2ccccc2)n1C,CID5567857,,,,,,,,0.0,0.0,,,,,,,,
O=C(CCc1ccccc1)Nc1ccc(NC(=O)c2ccco2)cc1,CID1073873,,,0.0,0.0,,,,,0.0,,,0.0,,,,,
CCOc1cc(NC(=O)c2ccco2)c(OCC)cc1NC(=O)CCc1ccc(OC)cc1,CID650431,,,,0.0,,,,0.0,,0.0,,,,,,,0.0
CCOc1cc(NC(=O)c2ccco2)c(OCC)cc1NC(=O)CCc1ccccc1OC,CID648359,,,0.0,0.0,,,,0.0,,,,,,,,,
O=C(O)c1ccc(CSc2nnc(Cc3ccccc3)o2)cc1,CID1249904,,,,,,,,,,0.0,,,,,,,
O=C(O)c1cccc(CSc2nnc(Cc3ccccc3)o2)c1,CID935556,,,,,,,,0.0,,,,,0.0,0.0,,,
COc1ccc(Cc2nnc(SCc3ccc([N+](=O)[O-])cc3)o2)cc1,CID2225578,,,,,,,,,,,,,,0.0,,,
Cc1ccc(-c2nc3ccccc3c(=O)n2-c2ccncc2)cc1,CID829440,,,,,,,,,,,,,,0.0,0.0,,
O=c1c2ccccc2nc(-c2ccc(Cl)cc2Cl)n1-c1ccncc1,CID1426876,,,,,,0.0,,,,,,,,,,,
O=c1c2ccccc2nc(-c2ccccc2)n1-c1ccncc1,CID785326,,,,,,,,,,,,,,,0.0,,
NC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1,CID2496673,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CC1,CID2997896,,,,,,,,,,,,,,,,,0.0
O=C(c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl)N1CCCCC1,CID2332671,,,,0.0,,,,,,,,,0.0,,,,0.0
O=C(NCc1ccc2c(c1)OCO2)c1ccc(Cl)s1,CID1246747,,,,,,,,,,,,,,0.0,,,
CC(NC(=O)c1cccs1)c1ccc2c(c1)OCO2,CID2971494,,,,,0.0,,,,,,,,,,,0.0,
O=C(NCc1ccc2c(c1)OCO2)c1cccs1,CID683944,,0.0,0.0,,0.0,0.0,0.0,,,0.0,,,,,,0.0,
Cc1nc(NC(=O)c2oc3ccccc3c2C)sc1C(=O)N(C)C,CID1245933,0.0,0.0,,0.0,0.0,,,,,,,,,,,0.0,
Cc1cnc(NC(=O)c2cc3ccccc3o2)s1,CID2673057,,,,,,,,,,,,,,,0.0,,
COC(=O)c1sc(NC(=O)c2oc3ccccc3c2C)nc1C,CID659858,0.0,,0.0,0.0,,,,,0.0,,,,,,,,0.0
Cc1ccc(-n2nnnc2Sc2ccc(S(=O)(=O)NCCN(C)C)cc2[N+](=O)[O-])cc1,CID4841619,,,,,,,,,,,,,,,0.0,,
Nc1ccc(Sc2nnnn2-c2ccccc2)c(Cl)c1,CID594148,0.0,0.0,0.0,,0.0,,0.0,,,,0.0,,,,,,0.0
COC(=O)c1ccc(Sc2nnnn2-c2ccccc2)c([N+](=O)[O-])c1,CID1042545,,,,,,0.0,,,,,,,,,,,
CC(C(=O)Nc1cccnc1)N1C(=O)c2ccccc2C1=O,CID2997810,,,,0.0,,,,,,,,0.0,0.0,,,,
CC(C)C(C(=O)Nc1cccnc1)N1C(=O)c2ccccc2C1=O,CID2937349,,,,,0.0,,,0.0,0.0,,,,,,,,
O=C(CN1C(=O)c2ccccc2C1=O)Nc1cccnc1,CID1147586,,0.0,,0.0,,,,,0.0,,,,0.0,,,,
N#CC1=C(SCc2ccccc2)NC(=O)CC1c1cccc(O)c1,CID3774346,0.0,,,,0.0,,,,,0.0,0.0,,,,,,
Cc1ccc(C2CC(=O)NC(SCc3ccccc3)=C2C#N)cc1,CID3128145,,,,,,,,,,,,0.0,,,,,
N#CC1=C(SCc2ccccc2)NC(=O)CC1c1ccc(O)cc1,CID2854469,0.0,,,,0.0,,0.0,,0.0,,0.0,,,,,,
COC(=O)C(Cc1ccccc1)NC(=O)CSc1nc(=O)cc(N)[nH]1,CID3152982,,,,,,,,,,0.0,,,,,,,
COC(=O)C(Cc1ccccc1)NC(=O)CSc1nc(=O)cc(C)[nH]1,CID3154282,,,,,,0.0,,,0.0,,,,,,,0.0,0.0
Cc1cc(=O)nc(SCC(=O)NCCc2ccccc2)[nH]1,CID892234,,,,,,,,,0.0,0.0,,0.0,,,,,
COc1ccc(NC(=O)N(C2CCCCC2)C2CCN(C(C)C)CC2)c(OC)c1,CID3238070,0.0,,,0.0,,,,,,,,0.0,,,,,
CCc1ccc(NC(=O)N(C2CCC(C)CC2)C2CCN(C(C)=O)CC2)cc1,CID3241576,0.0,,,,,0.0,,,,,,,,,,,0.0
CCOc1ccc(NC(=O)N(C2CCCCC2)C2CCN(C(C)=O)CC2)cc1,CID4290599,0.0,0.0,,,0.0,,,0.0,,,,0.0,,,,,
CCC(NCC1CCCO1)=C1C(=O)NC(=O)NC1=O,CID5389584,,0.0,,,,,,,,,,,,,,,0.0
CC(NCC1CCCO1)=C1C(=O)N(C)C(=O)N(C)C1=O,CID5389643,,,,,,,0.0,,,,,,,,,,
CCCCN1C(=O)NC(=O)/C(=C(/C)NCC2CCCO2)C1=O,CID5921760,,,,,,,,,,,0.0,,,,,,
COc1ccc(-c2nnc(NC(=O)CSc3ccccc3)s2)cc1OC,CID1384107,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(-c2nnc(NC(=O)CSc3ccc(C)cc3)s2)cc1OC,CID1402532,,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2nnc(NC(=O)CSc3ccc(Cl)cc3)s2)cc1OC,CID1400297,,,,,,,,,,,,,,0.0,0.0,,
CCCCOc1ccc(C2(C)CC(=O)NC2=O)cc1,CID584277,,,,,,,,,0.0,0.0,0.0,,,,0.0,,0.0
CCCCOc1ccc(C2CC(=O)NC2=O)cc1,CID2835333,,,,,,,,,0.0,0.0,,,,,,0.0,0.0
CCCCOc1ccc(C2CC(=O)N(C)C2=O)cc1,CID659485,,,,,,,0.0,,,0.0,0.0,,,0.0,0.0,,
Cc1cc(NC(=O)C(C)C)ncc1NC(=O)CCc1ccccc1,CID656274,,,0.0,,,,,,0.0,0.0,,,0.0,,0.0,0.0,
CCCC(=O)Nc1ccc(NC(=O)CCc2ccccc2)cn1,CID655072,,0.0,0.0,,,,0.0,,,,,,0.0,,,,
CCC(=O)Nc1cc(C)c(NC(=O)CCc2ccccc2)cn1,CID647472,,,,,,,,,0.0,,,,,,,,
CCOc1cc2[nH]c(=O)n(CC3CCC(C(=O)NCCC(C)C)CC3)c(=O)c2cc1OCC,CID3242054,,,,,,,,0.0,,,,,,,,,
CCOc1cc2[nH]c(=O)n(CC3CCC(C(=O)NC(C)CC)CC3)c(=O)c2cc1OCC,CID3242618,,,0.0,,,,,0.0,,0.0,,,,,,0.0,
CCOc1cc2[nH]c(=O)n(CC3CCC(C(=O)NCCCOC)CC3)c(=O)c2cc1OCC,CID3243292,,,,,,0.0,,0.0,0.0,,,,,,,,
COc1cccc(/C=C2/SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c1OCC(=O)O,CID1214142,,,,,,,,,,,,,,,0.0,,
CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)ccc1OCC(=O)O,CID1214139,,,,,,0.0,,,,,,,,,,,
NC(=O)COc1ccccc1/C=C1/SC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O,CID1778766,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)NC(CC(=O)NCc2ccco2)c2ccco2)cc1,CID3237166,,,,0.0,0.0,,0.0,,,,0.0,,0.0,,,,
O=C(CC(NS(=O)(=O)c1ccc(Cl)cc1)c1ccco1)NCc1ccco1,CID3243398,0.0,,,0.0,,,,,,,,,,,,,
COc1ccc(S(=O)(=O)NC(CC(=O)NCc2ccco2)c2ccco2)cc1,CID3244903,,,,,0.0,,,,,,,,,,,,
CCN1CCC(O)(c2ccccc2)C(C(=O)c2ccccc2)C1,CID370028,,,,,,,,,,0.0,,,,,,,
CCCCN1CCC(O)(c2ccccc2)C(C(=O)c2ccccc2)C1,CID2827007,,,,,,,,,,,,0.0,,,,,
CN1CCC(O)(c2ccccc2)C(C(=O)c2ccccc2)C1,CID20784,,,,,,,,0.0,,,,,,,,,
Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(F)c3)c3ccccc23)no1,CID2157612,,,0.0,,0.0,,,,,0.0,,,,,,,
Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3ccccc3Cl)c3ccccc23)no1,CID2157678,,0.0,,,0.0,,,,0.0,,,0.0,0.0,,0.0,0.0,
Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3ccc(F)cc3)c3ccccc23)no1,CID2053132,,,,,0.0,,,0.0,,0.0,,,,,,,0.0
COC(=O)c1ccc(-n2nnnc2SCC(=O)N2CCCCC2)cc1,CID1071308,,0.0,,0.0,,,,,,,0.0,,,,,,
CCCOC(=O)c1ccc(-n2nnnc2SCC(=O)N2CCCCC2)cc1,CID2248039,0.0,0.0,,,0.0,0.0,,0.0,,,,,,0.0,,,
COc1ccc(-n2nnnc2SCC(=O)N2C(C)CCCC2C)c(OC)c1,CID652400,,,0.0,,,,,,,,0.0,,0.0,,,0.0,
C=CCNc1sc(C(=O)c2cccs2)c(N)c1C#N,CID653748,,,,,0.0,,0.0,,,,,,,,,,
CCNc1sc(C(=O)c2cccs2)c(N)c1C#N,CID660621,,,0.0,,0.0,,,,,0.0,0.0,,,,,,
C=CCNc1sc(C(=O)c2ccc(Br)s2)c(N)c1C#N,CID1893291,,,,,,,,,0.0,,,,,,,,
Cc1ccsc1/C=C1\SC(N2CCOCC2)=NC1=O,CID701648,,,,,,,,,,,,,,0.0,0.0,,
O=C1N=C(N2CCOCC2)S/C1=C\c1cccs1,CID691379,,,,,,,,,,,,,,0.0,,,
O=C1N=C(N2CCOCC2)S/C1=C/c1cccs1,CID691378,,,,,,,,,,,,,,,0.0,,
CCN(CC)C(=O)CSc1nc(=O)c(Cc2ccccc2)c(O)n1-c1ccccc1,CID1415442,,,,,,0.0,,,0.0,,,,,,,,
COc1ccccc1-n1c(SCC(=O)NC(C)(C)C)nc(=O)c(Cc2ccccc2)c1O,CID1911743,,,,,,0.0,,,,,0.0,,,,,,
COc1ccc(-n2c(SC)nc(=O)c(Cc3ccccc3)c2O)cc1,CID1360701,,,,,,0.0,,,,,,,,0.0,,,
CC(NC(=O)CCNS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C)c1ccccc1,CID3242837,,,,,0.0,,,,,,,,,,,0.0,
Cn1c(=O)c2cc(S(=O)(=O)NCCC(=O)NCc3ccccc3Cl)ccc2n(C)c1=O,CID3236704,,,,,0.0,,,,0.0,,,,,,,,
Cc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)cc1,CID3238835,,0.0,,,0.0,,0.0,,,,,,,,,0.0,
CC(C)Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)no1,CID5308520,,0.0,,,,,0.0,,,,,,,,,,
Cc1cc(C(=O)N2CCN(c3ccccc3)CC2)no1,CID3245439,,,,,,,0.0,,,,,,,,,,
CC(=O)c1ccc(N2CCN(C(=O)c3cc(C)on3)CC2)cc1,CID1244352,,,,0.0,,,,0.0,,,,,,,,,
COc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N2CCOCC2)o1,CID5308528,,,0.0,,,,,,,,,,,,,0.0,
COc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCOCC3)o2)cc1,CID5309679,,,,,,,,,,,0.0,,,,0.0,,
O=C(c1ccc(CS(=O)(=O)c2ccccc2)o1)N1CCOCC1,CID5308630,,,0.0,,,,,0.0,,,,,0.0,,,0.0,
C=CCn1c(SCn2nnc3ccccc3c2=O)nnc1-c1ccc(Cl)cc1,CID3000205,,0.0,,0.0,0.0,,,,,,0.0,,,,,,0.0
C=CCn1c(SCn2nnc3ccccc3c2=O)nnc1-c1ccc(Br)cc1,CID2575484,,,,,,,,,,,0.0,,,,,,
C=CCn1c(SCn2nnc3ccccc3c2=O)nnc1-c1ccc(F)cc1,CID2575322,0.0,,,0.0,0.0,,,,,,,,,,,,
COc1cc(Cl)c(C)cc1NC(=O)CNC(=O)Cn1cnc2ccccc2c1=O,CID3515101,,,,,,0.0,,,,,,,,,,,
CCN(CC(=O)Nc1ccccc1OC)C(=O)Cn1cnc2ccccc2c1=O,CID2449887,,,,,,,,,,,0.0,,,,,,
COc1ccc(OC)c(NC(=O)CNC(=O)Cn2cnc3ccccc3c2=O)c1,CID3237928,,,,,,,,0.0,,,,,0.0,,,,
Cc1nn(Cc2ccccc2)c2c1C(c1ccc(Cl)cc1)C(C#N)=C(N)O2,CID2871988,,,,,,,,,,0.0,,,,,,,
Cc1nn(Cc2ccccc2)c2c1C(c1cccc(Cl)c1)C(C#N)=C(N)O2,CID2872337,,,,,,0.0,,,,,,0.0,,,,,
Cc1nn(Cc2ccccc2)c2c1C(c1ccccc1)C(C#N)=C(N)O2,CID2872320,,,,,,,,,0.0,,0.0,0.0,,,0.0,,
CN(CC(=O)N1CCN(c2ccccc2F)CC1)S(=O)(=O)c1cnc[nH]1,CID9551090,,,,,,,,,,,,0.0,,,,,
CN(CC(=O)N1CCN(c2ccccc2)CC1)S(=O)(=O)c1cnc[nH]1,CID3242738,,0.0,,,,,,,,,,,,,,,
Cc1ccc(C)c(N2CCN(C(=O)CN(C)S(=O)(=O)c3cnc[nH]3)CC2)c1,CID3241133,,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1c(NC(=O)CSc2nnnn2C)sc(C)c1-c1ccc(C)cc1,CID2630150,0.0,,,0.0,0.0,,,,0.0,0.0,0.0,,,,,,0.0
CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CSc1nnnn1C,CID2630279,0.0,0.0,,0.0,0.0,,,,0.0,,,,,,,0.0,0.0
CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)CSc1nnnn1C,CID2630238,0.0,0.0,0.0,0.0,0.0,0.0,,,0.0,0.0,0.0,,,,,0.0,
CC(=O)Nc1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1,CID630988,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(NC2=C(OC)C(=O)c3ccccc3C2=O)cc1,CID936475,,,,,,,,,,,,,,0.0,,,
COC1=C(Nc2ccc(OC)cc2)C(=O)c2ccccc2C1=O,CID938368,,,,,,,,,,,,,,,0.0,,
COc1cc(C(c2c(C)[nH][nH]c2=O)c2c(C)[nH][nH]c2=O)ccc1OC(C)C,CID2939491,,,,,,,,,,,,,,0.0,,,
Cc1[nH][nH]c(=O)c1C(c1ccc(O)c([N+](=O)[O-])c1)c1c(C)[nH][nH]c1=O,CID3149258,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C(c2c(C)[nH][nH]c2=O)c2c(C)[nH][nH]c2=O)cc1[N+](=O)[O-],CID2930420,,,,,,,,,,,,,,,0.0,,
COc1cc(NC(=O)CSc2nc3cc(C)ccc3cc2C)c(C(=O)O)cc1OC,CID1176122,,,,,,,,,,,,,,,0.0,,
NS(=O)(=O)c1ccc(NC(=O)CSc2ccc3ccccc3n2)cc1,CID1307911,,,,,,,,,0.0,0.0,0.0,,,,,,
COc1cc(NC(=O)CSc2nc3ccccc3cc2C)c(C(=O)O)cc1OC,CID1153239,,,,,,,,,,,,,,,0.0,,
CC(C)C(NC(=O)c1ccccc1)C(=O)NCc1ccccn1,CID2958007,,0.0,0.0,,0.0,,,0.0,,,,,,,,0.0,
CCOc1ccc(C(=O)NC(C(=O)NCc2ccccn2)C(C)C)cc1,CID4883774,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(=O)NC(C(=O)NCc2ccccn2)C(C)C)cc1,CID2999055,,,0.0,0.0,0.0,,,,,,,0.0,0.0,,,,
Cc1cccc(-n2c(N)cc(=O)nc2SCC(=O)Nc2cc(C)on2)c1,CID651484,,0.0,,0.0,0.0,0.0,0.0,0.0,,0.0,,,0.0,,,0.0,
CCC(Sc1nc(=O)cc(N)n1-c1ccccc1)C(=O)Nc1cc(C)on1,CID2915989,,,,0.0,0.0,0.0,,,,0.0,,0.0,,,,,
CCC(Sc1nc(=O)cc(N)n1-c1cccc(C)c1)C(=O)Nc1cc(C)on1,CID2941476,,,,,0.0,,0.0,,,0.0,,,,,0.0,0.0,
Cc1ccc(C2CC(=O)NC(SCC(=O)Nc3nccs3)=C2C#N)cc1,CID3841655,,,,,,,,,,,,,,0.0,,,
N#CC1=C(SCC(=O)Nc2nccs2)NC(=O)CC1c1ccccc1,CID567755,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C1C(=O)NC(SCC(=O)Nc2nccs2)=C(C#N)C1c1ccccc1OCC,CID3242086,0.0,,,0.0,0.0,,,,,,0.0,,,,,0.0,
O=C(Nc1ccccc1)Nc1nnc(SCc2ccc(F)cc2)s1,CID1368836,,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccc(Cl)cc1)Nc1nnc(SCc2ccccc2)s1,CID1961998,,,,,,,,,,,,,,0.0,,,
O=C(Nc1ccccc1)Nc1nnc(SCc2ccc(Cl)cc2)s1,CID1939491,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccc(Cn2nnnc2CN2CCC(NC(=O)c3ccccc3F)CC2)cc1,CID1445119,,,,,,,,,,,,,,,0.0,,
Cc1ccccc1C(=O)NC1CCN(Cc2nnnn2Cc2ccccc2)CC1,CID651332,,,,,,,,,0.0,0.0,,0.0,,,,,
Cc1ccccc1C(=O)NC1CCN(Cc2nnnn2Cc2ccc(F)cc2)CC1,CID650695,,0.0,,0.0,,,0.0,,,,,,0.0,,,,0.0
O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1ccco1,CID655126,,,,0.0,,,,,,,,,,,,,0.0
O=C(Nc1ccc(N2CCOCC2)c(C(=O)O)c1)c1ccco1,CID1076260,,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1ccc(Br)o1,CID1114256,0.0,,,,,,,,,,,,,,,,
COc1ccccc1C1NC(c2ccccc2OC)C(C)C(=O)C1C,CID4063456,,,,,,0.0,,,,0.0,,,,,,,
CC1C(=O)CC(c2ccccc2)N(C)C1c1ccccc1,CID284052,,,,,,,0.0,,,,,,,,,,
CC1C(=O)CC(c2ccccc2)NC1c1ccccc1,CID568924,,,,,,0.0,,,,,,,,,,,
COCCCNC(=O)c1cc2c(s1)CS(=O)(=O)C2,CID3240089,,,,,0.0,0.0,,,,0.0,,0.0,,,,,
CCCSCCCNC(=O)c1cc2c(s1)CS(=O)(=O)C2,CID3237887,,,,,0.0,,,,0.0,,,,,,,,
CC(C)OCCCNC(=O)c1cc2c(s1)CS(=O)(=O)C2,CID3237359,,,,,0.0,,0.0,,,0.0,,0.0,,,0.0,,
O=C(NCCN1CCN(c2ccccc2)CC1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1,CID5309386,0.0,,,0.0,,,,,,,,,,,,0.0,
O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1,CID5309184,,,,,,,0.0,,,,,,,,,,
O=C(NCCN1CCN(c2ccccc2F)CC1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1,CID5308983,0.0,,,,,,0.0,,,,,,0.0,,,,
CCOC1=C/C(=C2/C=C(c3ccc(OC)cc3)NC(N)=C2C#N)C=CC1=O,CID5770079,,,,,,,,,,,0.0,,,,,,
CCOC1=C/C(=C2/C=C(c3ccc(C)cc3)NC(N)=C2C#N)C=CC1=O,CID9549433,,,,,,,,,,,,,,,0.0,,
CCOC1=C/C(=C2/C=C(c3ccc(N)cc3)NC(N)=C2C#N)C=CC1=O,CID5760727,,,,,,,,,,,0.0,,,,,,
COc1cccc(CN(Cc2cccnc2)S(=O)(=O)c2ccc(-n3cnnn3)c(C)c2)c1,CID649517,0.0,0.0,0.0,,0.0,,,0.0,,0.0,0.0,,,,,0.0,0.0
COc1cccc(CN(Cc2cccnc2)S(=O)(=O)c2ccc(-n3cnnn3)c(C)c2)c1OC,CID652211,,,0.0,,,,,0.0,,,,,,,,,0.0
COc1ccc(CN(Cc2cccnc2)S(=O)(=O)c2ccc(-n3cnnn3)c(C)c2)cc1OC,CID654851,0.0,,0.0,,,,,,,,,,,,,1.0,0.0
Cc1cc(NC(=O)CSc2nc3ccccc3n2CC(=O)N2CCCCC2)no1,CID649511,,,,0.0,,,,,,,0.0,,,,,0.0,
Cc1cc(NC(=O)CSc2nc3ccccc3n2CC(=O)N2CC(C)CC(C)C2)no1,CID655856,,,,,,,,,,,0.0,,,,,,
Cc1cc(NC(=O)CSc2nc3ccccc3n2CC(=O)N2CCC(C)CC2)no1,CID3224729,,,,,,,,,,0.0,0.0,,,,,,
COc1cc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)cc1NC(=O)CN1CCCCC1,CID649512,,,,0.0,,,,,0.0,,,,,,,,
COc1cc(NC(=O)c2ccccc2Cl)c(OC)cc1NC(=O)CN1CCCCC1,CID3195249,,,,,,,,,,,,,,,0.0,,
COc1cc(NC(=O)c2ccc(C)cc2)c(OC)cc1NC(=O)CN1CCCCC1,CID1455478,,,,,,,,,0.0,,0.0,,,,,,
COc1ccc(C2N(C(=O)c3ccccc3)CCN2C(=O)c2ccc(C)cc2)cc1,CID3368664,,,,,,0.0,,,,,,,,,,,
O=C(c1ccccc1)N1CCN(C(=O)c2ccccc2)C1c1ccccc1,CID570214,,,,,,0.0,,,,,,,,0.0,,,
COc1ccc(C2N(C(=O)c3ccccc3)CCN2C(=O)c2ccccc2)cc1,CID3245913,0.0,,,,,,,0.0,,,,,,,,,
COc1ccccc1NC(=O)c1nn(-c2ccc(Cl)cc2)ccc1=O,CID1481272,,,,,,,,,,,,,,0.0,0.0,,
COc1ccccc1NC(=O)c1nn(-c2ccc(F)c(F)c2)ccc1=O,CID1481276,,,,,,,,,,,,,,0.0,,,
COc1ccccc1NC(=O)c1nn(-c2ccccc2)ccc1=O,CID1481274,,,,,,,,,,,,0.0,,,,,
Cc1cccc(NC(=O)NCC(c2cccnc2)N2CCOCC2)c1,CID3239235,,0.0,0.0,,,,,,,,,,,,,0.0,0.0
O=C(NCC(c1cccnc1)N1CCOCC1)Nc1ccccc1,CID3240651,,,0.0,0.0,,,,,0.0,,0.0,,,,,0.0,
Cc1ccc(NC(=O)NCC(c2cccnc2)N2CCOCC2)cc1,CID3241009,,,,,,,,,,,0.0,,0.0,,,0.0,
COCCn1cc(C(=O)N2CCCC(C)C2)c2c3ccccc3n(C)c2c1=O,CID3239234,,,0.0,,0.0,0.0,0.0,,,,,,,,,,0.0
CCOC(=O)C1CCN(C(=O)c2cn(CCOC)c(=O)c3c2c2ccccc2n3C)CC1,CID3243389,,,,,,0.0,,0.0,0.0,,,,0.0,,,,
COCCn1cc(C(=O)N2CCC(C)CC2)c2c3ccccc3n(C)c2c1=O,CID3242037,,0.0,,,,,,,,,,,,,,,
Cc1ccc2[nH]c3c(c2c1)CN(C(=O)CN1CCN(Cc2ccc4c(c2)OCO4)CC1)CC3,CID660161,,,0.0,,,,0.0,,,,,,0.0,,,,
O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)N1CCc2[nH]c3ccc(F)cc3c2C1,CID659199,,0.0,0.0,,,,,0.0,,,,,,,,,
O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)N1CCc2[nH]c3ccccc3c2C1,CID659268,0.0,,0.0,,,,0.0,0.0,,,,0.0,,,,,
O=C1c2ccccc2C(Nc2ccc3c(c2)OCCO3)N1c1ccc(Cl)cn1,CID5308381,0.0,,,,,0.0,,,,,,,0.0,,,0.0,0.0
O=C1c2ccccc2C(Nc2ccc3c(c2)OCCO3)N1c1ccccn1,CID5309895,,,0.0,0.0,,,,,,,,,,,,,
Cc1ccnc(N2C(=O)c3ccccc3C2Nc2ccc3c(c2)OCCO3)c1,CID5308203,0.0,0.0,0.0,,,0.0,0.0,,,,,,,,,,
CC(C)(C)NC(=O)Cn1c(SCC(=O)NC2CCCCC2)nc2ccccc21,CID650287,0.0,,,,,,0.0,0.0,,,,,,,,0.0,0.0
CN(C)C(=O)Cn1c(SCC(=O)NC2CCCCC2)nc2ccccc21,CID654945,0.0,,,,,,,0.0,0.0,,,,,,,0.0,
O=C(CSc1nc2ccc([N+](=O)[O-])cc2[nH]1)NC1CCCCC1,CID779036,,,,,,0.0,,,,,,0.0,,,,,
COC(=O)c1ccccc1NC(=O)CSc1nc2ncccc2[nH]1,CID934900,,,,,,,,,,,,,,,0.0,,
COc1ccccc1NC(=O)CSc1nc2ncccc2[nH]1,CID844907,,,,,,,,0.0,,,0.0,,0.0,,,0.0,
COc1ccc(NC(C)=O)cc1NC(=O)CSc1nc2ncccc2[nH]1,CID665229,,0.0,,,,,,,,,,0.0,,,,,
COc1cc(-c2nnn(CC#N)n2)ccc1OCc1ccccc1,CID650154,,,,,,0.0,,,,,0.0,,,,,,
COC(=O)c1ccc(COc2ccc(-c3nn[nH]n3)cc2)cc1,CID714070,,,0.0,,,,,,,,,,,,,,
Cn1nnc(-c2ccc(OCc3ccccc3F)cc2)n1,CID748005,,0.0,,0.0,,,0.0,,,,,,,,,,
COc1ccccc1-n1cnc2cc(NS(=O)(=O)c3ccccc3)ccc21,CID650152,0.0,,,,0.0,,,0.0,,,,,0.0,,,,0.0
COc1ccccc1-n1cnc2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc21,CID1293002,,,,,,,,,0.0,,0.0,,,,,,
COc1ccc(-n2cnc3cc(NS(=O)(=O)c4ccccc4)ccc32)cc1,CID1077757,,,,,,,,,0.0,,,,,,,,
Cc1n[nH]c(NCCc2ccccc2)nc1=O,CID716784,,0.0,,0.0,,,0.0,0.0,,,0.0,,,0.0,,,
COc1ccc(CCNc2nc(=O)c(C)n[nH]2)cc1OC,CID728157,,,,,,,,,0.0,,,0.0,,,0.0,,
COc1ccc(CCNc2nc(=O)cn[nH]2)cc1OC,CID728228,,,,,,,,,,,,,,0.0,0.0,,
CC(=O)Oc1ccc(C2OC(=O)c3ccccc3N2C(C)=O)cc1,CID306804,,,,,,0.0,,,,,,,,,,,
COc1cccc(C2OC(=O)c3ccccc3N2C(C)=O)c1OC(C)=O,CID667160,,,,,,,,,,,,,0.0,,,,
CC(=O)Oc1ccccc1C1OC(=O)c2ccccc2N1C(C)=O,CID306194,,,,0.0,,,0.0,,,,,,,,,,
COc1ccc(CC(=O)Nc2c3c(nn2-c2cccc(Cl)c2)CS(=O)(=O)C3)cc1,CID3235673,,,,,0.0,,0.0,,0.0,,0.0,0.0,,,,,0.0
COc1ccc(CC(=O)Nc2c3c(nn2-c2cccc(C)c2C)CS(=O)(=O)C3)cc1,CID3243040,,,,,0.0,,,,,,,,,,,,0.0
O=C(Cc1ccccc1)Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2,CID3237609,,0.0,0.0,,0.0,,,,,,,0.0,,,,,
Cc1ccc(CN2C(=O)CSc3ccc(C(=O)NCCN4CCOCC4)cc32)cc1,CID3235672,,,,0.0,0.0,,,,,,,,0.0,,,,
O=C(NCCN1CCOCC1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)CS2,CID3238009,,,,,0.0,,,,,,,,,,,,
O=C(NCCN1CCOCC1)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)CS2,CID4201180,0.0,0.0,,,,,,0.0,,0.0,,,,,,,
COc1ccc(C)cc1-n1nnnc1SCc1nc2ccccc2s1,CID2608648,0.0,0.0,,,0.0,,,,,0.0,,,,,,,0.0
CCOc1ccccc1-n1nnnc1SCc1nc2ccccc2s1,CID2613788,0.0,0.0,,0.0,0.0,,,,0.0,0.0,,,,,,,
COc1ccc(-n2nnnc2SCc2nc3ccccc3s2)cc1,CID2617687,,,,,,0.0,,,,,,,,,,,
CCC1(C)Cc2ccccc2C(Nc2c(C)n(C)n(-c3ccccc3)c2=O)=N1,CID2869374,,,,,,0.0,,,,,,,,,,,
Cc1c(NC2=NC(C)(C)Cc3ccccc32)c(=O)n(-c2ccccc2)n1C,CID1110069,,,,,,,,,,,0.0,,,,,,
CCC1(CC)Cc2ccccc2C(Nc2c(C)n(C)n(-c3ccccc3)c2=O)=N1,CID1367033,,,,,,,,,,0.0,,,,,,,
CCOC(=O)CN1C(=O)C(O)(c2c(C)[nH]c3ccccc23)c2ccccc21,CID2951526,0.0,,,,,,0.0,,,,,0.0,,,,,
Cc1ccc2c(c1)C(O)(c1c(C)[nH]c3ccccc13)C(=O)N2,CID2951041,0.0,,,0.0,,,,,,,,,,,,0.0,
Cc1[nH]c2ccccc2c1C1(O)C(=O)N(C(C)C)c2ccccc21,CID2949657,,,,,,,,,,,,0.0,,,,,
CN(C)c1oc(-c2ccc(OCc3ccc(Cl)cc3)cc2)nc1C#N,CID663459,0.0,0.0,0.0,,0.0,,,,,,0.0,,,0.0,,0.0,0.0
CN(C)c1oc(-c2ccc(OCc3ccccc3)cc2)nc1C#N,CID664560,,0.0,,0.0,,,,,0.0,,,,0.0,,,,
CNc1oc(-c2ccc(OCc3ccccc3)cc2)nc1C#N,CID664129,1.0,0.0,,0.0,,,,,,,0.0,,0.0,,0.0,,
Cc1ccc(NCc2nnc(SCC(=O)Nc3ccccc3)n2CC2CCCO2)c(C)c1,CID646031,0.0,0.0,,0.0,,,,,,,,,0.0,,0.0,,
Cc1ccc(NCc2nnc(SCC(=O)Nc3cccc(O)c3)n2CC2CCCO2)c(C)c1,CID652606,,,,,0.0,,,,,,,,,,,0.0,0.0
O=C(CSc1nnc(CNc2ccc(F)cc2)n1CC1CCCO1)Nc1ccccc1,CID3168044,,,,,,,,,,,0.0,,,,0.0,,
Cc1ccc(OCc2cc(C(=O)Nc3ccccc3)oc2C)cc1,CID877407,,,,,,0.0,,,,,0.0,0.0,,,,,
Cc1oc(C(=O)Nc2ccc(O)cc2)cc1COc1ccccc1,CID877453,,,,0.0,,,,,0.0,,,,,,,,
Cc1oc(C(=O)Nc2ccc(C(=O)O)cc2)cc1COc1ccccc1,CID2223096,,,,,,,,,,0.0,,,,,,,
CCOC(=O)N1CCC(N2CC34C=CC(O3)C(C(=O)Nc3ccc(F)cc3)C4C2=O)CC1,CID5307123,,,,,,,,,,,,,0.0,,,,
CCOC(=O)N1CCC(N2CC34C=CC(O3)C(C(=O)Nc3ccc(OCC)cc3)C4C2=O)CC1,CID5307458,,,,,,,,0.0,,,,,0.0,,,,
CCOC(=O)N1CCC(N2CC34C=CC(O3)C(C(=O)Nc3ccc(C(C)C)cc3)C4C2=O)CC1,CID5307306,,,,,,,,,,,,,0.0,0.0,,,
CN(CC(=O)Nc1ccccc1C(=O)N1CCCC1)S(=O)(=O)c1ccc(Cl)cc1,CID1300212,,,,,,,,,0.0,,0.0,,,,,,
Cc1ccc(S(=O)(=O)NC(C)C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1,CID656014,,,,,0.0,0.0,,0.0,0.0,0.0,0.0,,0.0,,,,0.0
CN(CC(=O)Nc1ccccc1C(=O)N1CCCC1)S(=O)(=O)c1ccc(Br)cc1,CID1255935,,,,,,,,,0.0,,,,,,,,
COc1ccc(CN(CC2CCCO2)S(=O)(=O)c2ccc(C(=O)O)cc2)cc1OC,CID645104,,,,,,,,0.0,,,0.0,,,,,0.0,
COc1cccc(CN(CC2CCCO2)S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1,CID3189847,,,,,,,,,,0.0,0.0,,,,,,
NS(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2F)CC2CCCO2)cc1,CID651352,,,0.0,,0.0,,,,,,,0.0,,,,0.0,
COc1ccc(CCNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1OC,CID992802,,,,,,,0.0,,,,,,,,,,
COc1ccc(CCN(C)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1OC,CID2393913,,,0.0,0.0,,,,,,,,0.0,0.0,,,,
COc1ccc(CCNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1,CID989249,,,,,,,,0.0,,,,,,,,0.0,
COc1ccc2cc(C(c3nnnn3CC3CCCO3)N3CCOCC3)c(=O)[nH]c2c1,CID645101,,,,,,,,,,,,,0.0,,,,
Cc1cccc2cc(C(c3nnnn3CC3CCCO3)N3CCOCC3)c(=O)[nH]c12,CID649247,,0.0,,0.0,,,,,,0.0,,,,,0.0,,
Cc1ccc2[nH]c(=O)c(C(c3nnnn3CC3CCCO3)N3CCOCC3)cc2c1,CID646659,,,,,,,,,,0.0,,,,,,,0.0
N#Cc1c(N)n(CCOC(=O)c2cccc(Br)c2)c2nc3ccccc3nc12,CID659825,,,,,,,0.0,,0.0,,,,,,,0.0,0.0
N#Cc1c(N)n(CCOC(=O)c2cccc([N+](=O)[O-])c2)c2nc3ccccc3nc12,CID3319881,,,,,,,,,,,,0.0,,,,,
N#Cc1c(N)n(CCOC(=O)c2ccc(Cl)cc2)c2nc3ccccc3nc12,CID659906,0.0,0.0,,,,,,,,,,,,,,,
Cc1ccc(OCc2nc(C#N)c(NCc3ccc4c(c3)OCO4)o2)cc1,CID650968,,,0.0,,,,,,,,,0.0,,,,,0.0
N#Cc1nc(COc2ccc(Cl)cc2)oc1NCc1ccc2c(c1)OCO2,CID653366,,,0.0,,,0.0,,,,0.0,,0.0,,,,0.0,0.0
Cc1cccc(OCc2nc(C#N)c(NCc3ccc4c(c3)OCO4)o2)c1,CID655646,,0.0,0.0,,,0.0,,0.0,0.0,,,0.0,0.0,,,,
O=C(OC(C(=O)NCC1CCCO1)c1ccccc1F)c1ccco1,CID650961,,,,,,,,0.0,,,0.0,,,,,,
COc1ccc(C(OC(=O)c2ccco2)C(=O)NCC2CCCO2)cc1,CID650719,,,,,,,0.0,,,,,,,,,,0.0
O=C(OC(C(=O)NCC1CCCO1)c1ccc(F)cc1)c1ccco1,CID655524,,,,,,,,0.0,,,,,,,0.0,,
CCc1nc(SCC(=O)Nc2nnc(CC)s2)c2c(C)c(C)sc2n1,CID3197508,,,,,,,,,,,,0.0,,,,,
CCCc1nc(SCC(=O)Nc2nnc(CC)s2)c2c(C)c(C)sc2n1,CID3197528,,,,,,,,,,,,0.0,,,,,
Cc1nnc(NC(=O)CSc2nc(C(C)C)nc3sc(C)c(C)c23)s1,CID3192296,,,,,,,,,,,,0.0,,,,,
C/C(=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1)N(C)C,CID2870907,,,,,,0.0,,,,,,0.0,,,,,
CN(C)/C=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1,CID7358249,,,,,,,,,,,,,,0.0,,,
CN(C)/C=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1,CID2868420,,,,,,,,,,,,0.0,,,0.0,,
COc1ccc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)cc1OC,CID1129709,,,,,,,,,0.0,,,,,,,,
COc1ccc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c(OC)c1,CID645081,,,,,0.0,,,,0.0,,,,,,,,
COc1ccccc1NC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2,CID646281,0.0,,,,0.0,,,,,,,,,,,,
O=C(Nc1nnc(-c2ccc3c(c2)CCCC3)o1)c1ccc(Cl)cc1Cl,CID4617025,,,,,,,,,,,,,,,0.0,,
COc1ccccc1C(=O)Nc1nnc(-c2ccc3c(c2)CCCC3)o1,CID4595224,0.0,,,,,0.0,,,,,,0.0,0.0,,,,
O=C(Nc1nnc(-c2ccc3c(c2)CCCC3)o1)c1ccccc1Cl,CID4393476,0.0,,0.0,0.0,,0.0,,,,,,,,0.0,,0.0,
COc1cc(CNC2CCCCCC2)cc(OC)c1OC,CID784133,,,,,,,,0.0,,0.0,,,,,,,
COc1cc(OC)c(OC)cc1CNC1CCCCCC1,CID787242,,,0.0,,,,,,,0.0,,,,,,,
COc1cc(CNC2CCCCCC2)cc(OC)c1,CID784296,,,,,,0.0,,,,,,,,,,,
COc1cc(OC)cc(-c2nnc(SCC(=O)NCc3cccs3)o2)c1,CID1173005,,,,,,,,,,,,,,0.0,,,
O=C(CSc1nnc(-c2ccc(OC(F)F)cc2)o1)NCc1cccs1,CID2467360,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)cc(-c2nnc(SCC(=O)NCc3cccs3)o2)c1,CID646769,,0.0,,,0.0,,0.0,,0.0,0.0,0.0,,,,,,
COc1ccc2c(c1)C(=O)c1ccccc1CO2,CID677942,,,,,,,,,,,0.0,,,,,,
CC(=O)Oc1ccc2c(c1)C(=O)c1ccccc1CO2,CID678309,,,,,,0.0,,,0.0,,,,,0.0,,,
O=C1c2ccccc2COc2ccc(O)cc21,CID677495,,,,,,0.0,,,0.0,,,,,,,,
Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2)cc1,CID3243910,,,,0.0,,,,,,,,,,,,,
COc1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2)cc1,CID3241872,,,,,,0.0,,0.0,,,,,,,,,0.0
O=C(c1ccc(CNS(=O)(=O)c2ccccc2)cc1)N1CCN(c2ccccn2)CC1,CID3244575,,,,,,,,0.0,,,,0.0,0.0,,,0.0,0.0
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)nc(C)n1,CID1076233,,,,,,0.0,,,,,,,,,,,
COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)nc(OC)n1,CID1241577,,,,,,,,0.0,0.0,,,,,,,,
COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)o3)cc2)nc(OC)n1,CID1247653,,,,0.0,,,0.0,0.0,0.0,,,0.0,0.0,,,,0.0
Cc1nc(N2CCN(c3ccccc3)CC2)c2c3c(sc2n1)CCC3,CID982920,0.0,0.0,,,,,0.0,,,,,,,,,,
Oc1ccc(N2CCN(c3ncnc4sc5c(c34)CCC5)CC2)cc1,CID2412274,0.0,,,0.0,,0.0,,0.0,,0.0,,,,,,0.0,0.0
c1ccc(N2CCN(c3ncnc4sc5c(c34)CCC5)CC2)cc1,CID877800,,,0.0,,,,,0.0,,,,,,0.0,,,
COc1ccc2cc(C#N)c(N3CCN(Cc4nnnn4CCC(C)C)CC3)nc2c1,CID645545,,0.0,,,0.0,,,,,0.0,0.0,,,,,,
CCC(C)(C)n1nnnc1CN1CCN(c2nc3cc(OC)ccc3cc2C#N)CC1,CID648954,,0.0,,,0.0,,,,,0.0,0.0,,0.0,,,0.0,
CCC(C)(C)n1nnnc1CN1CCN(c2nc3ccc(C)cc3cc2C#N)CC1,CID3214088,,,,,,,,,,0.0,,,,,,,
COc1cc(C(=O)N(C)c2nnc(-c3cccnc3)s2)cc(OC)c1OC,CID645543,,0.0,0.0,,,,,,,,,,,,,,0.0
CCN(C(=O)c1c(OC)cccc1OC)c1nnc(-c2cccnc2)s1,CID655065,0.0,0.0,,,,,0.0,,,,0.0,,,,,0.0,0.0
COCCN(C(=O)c1ccccc1)c1nnc(-c2cccnc2)s1,CID653096,,0.0,0.0,0.0,,,0.0,,,,,0.0,,,,0.0,
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1cccs1,CID1247720,0.0,0.0,0.0,0.0,0.0,,,,,,,,,,,,0.0
Cc1onc(-c2ccccc2)c1C(=O)NCc1cccs1,CID2165768,,,,,,,,,,0.0,,,,,,,
Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1cccs1,CID3245964,0.0,0.0,0.0,,0.0,0.0,,,,,,,,0.0,,,
CCCCOc1ccc(NC(=O)C(=O)NCCC2=CCCCC2)cc1,CID2194059,,,,,,,,,,,,0.0,,,,,
CCCCCOc1ccc(NC(=O)C(=O)NCCC2=CCCCC2)cc1,CID3292650,,,,,,,,,,0.0,,,,0.0,,,
COc1ccc(NC(=O)C(=O)NCCC2=CCCCC2)c(OC)c1,CID2288113,,,,,,,,,,,,,,0.0,,,
CCOC1OC(C(N)=O)=CC(c2ccccc2)C1CCCO,CID16197188,,,,,,,,,,,,,,,0.0,,
C#Cc1ccc(C2C=C(C(=O)OCC=C)OC(OCC)C2CCCO)cc1,CID16195760,,,,,,,,,,,,,,0.0,,,
CC(=O)C1(C)OC(N)=C(C#N)C(c2ccccc2)C1(C#N)C#N,CID657558,,0.0,,0.0,,,0.0,0.0,,,,,,,,,
COc1ccc(-c2nnc(SC(C)C(=O)Nc3nccs3)n2-c2ccccc2)cc1OC,CID2961335,,,0.0,,,,,,,0.0,0.0,,,,,,0.0
COc1ccc(-n2c(SCC(=O)Nc3nccs3)nnc2-c2ccccc2)cc1,CID1373594,,,,,,,,,,,,0.0,,,,,
COc1ccc(-c2nnc(SCC(=O)Nc3ncc(C)s3)n2-c2ccccc2)cc1OC,CID644693,,,0.0,0.0,,0.0,,,,0.0,,0.0,0.0,,,,0.0
CCOC(=O)N1CCC(Nc2c(-c3ccc(C)c(C)c3)c(=O)c2=O)CC1,CID3241837,,,,0.0,,,0.0,,,0.0,,,,,,,
CCOC(=O)N1CCC(Nc2c(-c3ccccc3)c(=O)c2=O)CC1,CID3467642,,,,,,0.0,,,,,,,,,,,
CCOC(=O)N1CCC(Nc2c(-c3ccc(C)cc3)c(=O)c2=O)CC1,CID3238133,0.0,,0.0,0.0,,,,,,,,,0.0,,,,
CC(C)C1NC(=S)N(Cc2ccccc2)C1=O,CID2871868,,,,,,,,,,,,,,,0.0,,
CCC(C)C1NC(=S)N(Cc2ccccc2)C1=O,CID2901023,,,,,,0.0,,,,,,0.0,,,,,
Cc1ccc(CN2C(=O)CNC2=S)cc1,CID2746865,,,,,,,,,,,,,,,0.0,,
CCN1CCN(Cc2c(OC)ccc3ccccc23)CC1,CID783028,,,0.0,0.0,0.0,,,0.0,,,,,,,,,
COc1ccc2ccccc2c1CN1CCN(C)CC1,CID783724,,,,0.0,0.0,,0.0,,,,0.0,,,,,,
COc1ccc(CN2CCN(C(=O)CC(C)C)CC2)c2ccccc12,CID768568,,,,,0.0,,0.0,,,,,0.0,,,,,
O=C1C2CCCN2c2ccc(S(=O)(=O)N3CCOCC3)cc2N1Cc1ccccc1F,CID2766151,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C)c(CN2C(=O)C3CCCN3c3ccc(S(=O)(=O)N4CCOCC4)cc32)c1,CID2766182,,,,,,0.0,,,,,,,,,,,
COc1cccc(CN2C(=O)C3CCCN3c3ccc(S(=O)(=O)N4CCOCC4)cc32)c1,CID2766162,,,,,,0.0,,,,,,,,,,,
CCOC(=O)C1=NN(c2ccccc2)C2=NC(C)=C(C(=O)OC)C(c3cccs3)N12,CID9549666,,,,,,,,,,0.0,,,,,,,
CCOC(=O)C1=NN(c2ccc(F)cc2)C2=NC(C)=C(C(=O)OC)C(c3cccs3)N12,CID9549739,,,,,,,,,,,,0.0,,,,,
CCOC(=O)C1=NN(c2cccc(Cl)c2)C2=NC(C)=C(C(=O)OC)C(c3cccs3)N12,CID9549721,,,,,,,,,,,,,,,0.0,,
Cc1ccc(CSCCNC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1,CID2281832,,,,,,,,,,,,,,,0.0,,
O=C(CSCc1ccc([N+](=O)[O-])cc1)NCCSCc1ccccc1,CID2281960,,,,,,0.0,,,,,,0.0,,,,,
Cc1ccccc1CSCCNC(=O)CSCc1ccc([N+](=O)[O-])cc1,CID2176319,,,,,,,,,,,,0.0,,,0.0,,
COc1cccc(C(=O)n2c(SC)nc3cc4c(cc32)OCCO4)c1,CID1220436,,,,,,0.0,,,,,,,,0.0,,,
COc1ccc(C(=O)n2c(SC)nc3cc4c(cc32)OCCO4)cc1,CID1008368,,,,,,,,,,,,0.0,,,,,
CSc1nc2cc3c(cc2n1C(=O)c1ccc(C)cc1)OCCO3,CID5219869,,,,,,,,,,,,,,1.0,,,
COc1ccc(N(CC(=O)NCCSCc2c(F)cccc2Cl)S(C)(=O)=O)cc1OC,CID2178015,,,,,,,,,,,,,,,0.0,,
CN(C)S(=O)(=O)N(CC(=O)NCCSCc1ccccc1)c1ccccc1,CID2223138,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)cc(N(CC(=O)NCCSCc2ccccc2)S(C)(=O)=O)c1,CID2278591,,,,,,,,,,,,,,0.0,,,
CN(Cc1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)nc2ccccc12,CID2178012,,,,,,,,,,,,,,0.0,,,
O=[N+]([O-])c1ccc(-c2nc(NCc3ccccc3)c3ccccc3n2)cc1,CID1187251,,,,,,,,,,,,,,,0.0,,
CN(Cc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)nc2ccccc12,CID1566144,,,,,,0.0,,,,,,0.0,,,,,
Cc1ccc(-c2nc3ccccc3c(=O)n2-n2cccc2)cc1,CID661504,0.0,,0.0,0.0,,0.0,0.0,,,,0.0,,,,,,
O=c1c2ccccc2nc(-c2ccccc2)n1-n1cccc1,CID888503,0.0,,0.0,,,,,,,,0.0,,,,,,
Cc1cccc(-c2nc3ccccc3c(=O)n2-n2cccc2)c1,CID888490,0.0,0.0,,,,,0.0,,,,0.0,,,,,,
CCC(c1nnnn1Cc1ccccc1)N1CCN(C(=O)c2ccco2)CC1,CID653227,,0.0,,,,,,,,,0.0,,,,,,
CC(C)C(c1nnnn1Cc1ccc(F)cc1)N1CCN(C(=O)c2ccco2)CC1,CID651772,,,,,,,0.0,,,0.0,,,,,,,
CC(C)CC(c1nnnn1Cc1ccccc1)N1CCN(C(=O)c2ccco2)CC1,CID650483,,,,0.0,,,,,,0.0,,,,,0.0,,0.0
Cc1cc(-c2ccccc2)nc(N(C)NC(=O)c2c(F)cccc2F)c1S(C)(=O)=O,CID1474574,,,,,,,,,,0.0,,,,,,,
COc1ccc(C(=O)NN(C)c2nc(-c3ccccc3)cc(C)c2S(C)(=O)=O)cc1,CID1474571,,,,,,,,,,,0.0,,,,,,
Cc1cc(-c2ccccc2)nc(N(C)NC(=O)c2ccc(Cl)cc2)c1S(C)(=O)=O,CID1474573,,,,,,0.0,,,,,,0.0,,,0.0,,
COC(=O)c1cnn2c(C)c(Cc3cccc(F)c3)c(C)nc12,CID4091281,,,,,,,,0.0,,,,,,,,,
Cc1nc2c(C(=O)O)cnn2c(C)c1Cc1ccccc1F,CID3237058,,,,,,,0.0,0.0,,,,,,,,,
Cc1ccc(Cc2c(C)nc3c(C(=O)O)cnn3c2C)cc1,CID3240510,,,,,,,,,,,,,0.0,,,,
Cc1ccc(-c2csc(N(Cc3ccco3)C(=O)c3cccs3)n2)cc1,CID1175951,,,,,,,,,,,,,,0.0,,,
COc1ccc(OC)c(-c2csc(N(Cc3ccco3)C(=O)c3cccs3)n2)c1,CID645939,,,,,,,,,,,0.0,,0.0,0.0,,,
O=C(c1cccs1)N(Cc1ccco1)c1nc(-c2ccc(F)cc2)cs1,CID1176079,,,,,,,,,,,0.0,,,0.0,,,
O=C1NC2=C(CCc3ccccc32)C(c2ccccc2)N1,CID4310916,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C2NC(=O)NC3=C2CCc2ccccc23)cc1,CID663869,0.0,,,0.0,,0.0,,0.0,,0.0,,,0.0,,,0.0,
COc1ccc(C2NC(=O)NC3=C2CCc2ccccc23)cc1,CID650040,0.0,,0.0,,,0.0,,,,0.0,0.0,0.0,,,,0.0,
CCc1ccc(C(=O)NCc2cccs2)s1,CID1245502,,,0.0,,,,1.0,,,0.0,,,,,,,
CC(C)(O)C#Cc1ccc(C(=O)NCc2cccs2)s1,CID718920,,,,,,,,,,,,,0.0,,,,
O=C(NCc1cccs1)c1ccc(Cl)s1,CID1246945,,,,,,,0.0,,,0.0,,,,0.0,,,
O=C(C1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1)N1CCOCC1,CID3136118,,,,,,,,,0.0,,,,,,,,
COc1ccc(S(=O)(=O)N2Cc3ccccc3CC2C(=O)N2CCOCC2)cc1OC,CID647923,,,,,0.0,,,0.0,,0.0,0.0,,,0.0,,,
COc1ccc(S(=O)(=O)N2Cc3ccccc3CC2C(=O)N2CCOCC2)cc1,CID651764,,,,,,,,,,0.0,,,,,,,
O=C(Cc1ccc(-n2c(=O)c3sccc3n(Cc3ccc(F)cc3)c2=O)cc1)NCc1ccco1,CID9550462,,,,,,0.0,,,,,,,,,,,
Cc1cccc(Cn2c(=O)n(-c3ccc(CC(=O)NCc4ccco4)cc3)c(=O)c3sccc32)c1,CID9550164,,,,,,0.0,,,,,,,,,,,
N#Cc1ccccc1Cn1c(=O)n(-c2ccc(CC(=O)NCc3ccco3)cc2)c(=O)c2sccc21,CID5307893,0.0,,,0.0,,,,,,,,,,,0.0,,
O=C(NCc1ccccc1)C1CCN(C(=O)NCc2ccccc2)CC1,CID646543,,,,,,0.0,,,,,,,,,0.0,,0.0
O=C(NCc1ccccc1F)C1CCN(C(=O)NCc2ccccc2)CC1,CID653714,0.0,,0.0,,,,,0.0,,0.0,,0.0,0.0,,,,
O=C(NCc1ccc(F)cc1)C1CCN(C(=O)NCc2ccccc2)CC1,CID651453,0.0,,,,,,,,,0.0,,0.0,,,,,
Cc1ccc(Cl)c(NC(=S)N(CCCN2CCOCC2)Cc2ccco2)c1,CID1249503,,,,,,0.0,,,,,,0.0,,,,,
COc1ccc(NC(=S)N(CCCN2CCOCC2)Cc2ccco2)cc1,CID3508367,,,,,,,,,,,,,,,0.0,,
Cc1cccc(NC(=S)N(CCCN2CCOCC2)Cc2ccco2)c1,CID4080742,,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2nc3ccccc3c(=O)n2CCN2CCOCC2)cc1,CID1249508,,,0.0,,,,,0.0,,,,,,,,0.0,
O=c1c2ccccc2nc(-c2ccccc2)n1CCN1CCOCC1,CID666458,0.0,0.0,,,,,,0.0,,0.0,,,0.0,,,,
Cc1ccc(-c2nc3ccccc3c(=O)n2CCN2CCOCC2)cc1,CID667332,0.0,0.0,0.0,,,,,,0.0,,0.0,0.0,0.0,,,,
CCOC(=O)C1C(=O)C=C(c2ccc(NS(C)(=O)=O)cc2)CC1c1ccco1,CID3157409,,,,,,,,,,0.0,0.0,,,,,,
CCOC(=O)C1C(=O)C=C(c2ccc(OC)cc2)CC1c1ccco1,CID3242085,,,0.0,,,,,0.0,,,,,,,,,
CCOC(=O)C1C(=O)C=C(c2cccc(NS(C)(=O)=O)c2)CC1c1ccco1,CID647988,,,,,,,,,,,,,,,,0.0,
CC1CCCCC1NC(=O)CCn1c(=O)oc2ccccc21,CID3243480,,,,,0.0,,,,,,,,,,,,0.0
CC1CC(NC(=O)CCn2c(=O)oc3ccccc32)CC(C)(C)C1,CID3163792,,,0.0,,0.0,,,0.0,,,,,,,,,0.0
CC1CCCC(NC(=O)CCn2c(=O)oc3ccccc32)C1C,CID3244645,,,,,0.0,,0.0,0.0,,,,,,,,,0.0
O=C(CSCc1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID653986,0.0,,,,0.0,,,0.0,,,,,,,,,
O=C(CSCc1cccc(Cl)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID1312099,,,,,,,,,,0.0,,,,,,,
O=C(CSCc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID1075874,,,,,,,,,,0.0,0.0,,,,,,
CCN1CCN(C(=O)c2cn(CCOC)c(=O)c3c2c2ccccc2n3C)CC1,CID3235790,,,,,,,,,,0.0,,,0.0,,,,
COCCn1cc(C(=O)N2CCN(C)CC2)c2c3ccccc3n(C)c2c1=O,CID3244740,,,,,,,,,,,,,,,,,0.0
CCOC(=O)N1CCN(C(=O)c2cn(CCOC)c(=O)c3c2c2ccccc2n3C)CC1,CID3243244,0.0,,,,,,,,,,,,0.0,,0.0,,
CC1CCCN(C(=O)c2cc3c(-c4ccc(Cl)cc4)nn(C)c3s2)C1,CID5308396,0.0,,,,,,,,,0.0,,,0.0,,,,
CCOC(=O)C1CCN(C(=O)c2cc3c(-c4ccc(OC)c(OC)c4)nn(C)c3s2)CC1,CID5307862,,0.0,,,,,,0.0,,,,,0.0,,,,
CCOC(=O)C1CCCN(C(=O)c2cc3c(-c4cccc(OC)c4)nn(C)c3s2)C1,CID3241711,,,,0.0,0.0,,0.0,0.0,,,,,,,,,0.0
C=CCN1C(SCc2ccccc2C#N)=NN/C1=C1/C=CC=CC1=O,CID5739850,,,,,,,,,,,,0.0,0.0,,,,0.0
C=CCN1C(SCc2cccc(C#N)c2)=NN/C1=C1/C=CC=CC1=O,CID6323818,,,0.0,,,,,,0.0,,,,0.0,,,,
C=CCN1C(SCc2ccccc2C#N)=NN/C1=C1/C=C(Br)C=CC1=O,CID5739974,,,,,,,0.0,,,,,,,,,,
CN(C)c1ccc(-c2nnn(CC(=O)N3c4ccccc4CCc4ccccc43)n2)cc1,CID652670,,,,,,,0.0,,,,0.0,0.0,,,,,
Cc1ccc(-c2nnn(CC(=O)N3c4ccccc4CCc4ccccc43)n2)cc1,CID1175395,,,,,,,,,,,,0.0,,,0.0,,
Cc1ccc(-c2nnn(C(C)C(=O)N3c4ccccc4CCc4ccccc43)n2)cc1,CID3188642,,,,,,,,,,,,0.0,,,,,
C/C(Cl)=C/CC1(CN2CCCC2=O)C(=O)NC(=O)NC1=O,CID919678,,,,0.0,,,,,,,,0.0,,,0.0,,
C=CCC1(CN2CCCC2=O)C(=O)NC(=O)NC1=O,CID3524548,,,,,,,,,,,,,,,0.0,,
CCCCC1(CN2CCCC2=O)C(=O)NC(=O)NC1=O,CID660343,,0.0,,,,,,0.0,0.0,,,,,,,,
C=CCOC(=O)C1=C(C)NC2(O)c3ccccc3C(=O)C12O,CID655325,,,,,0.0,,,0.0,,,,,,0.0,,,0.0
CCOC(=O)C1=C(C)NC2(O)c3ccccc3C(=O)C12O,CID2817312,,,,,0.0,,,,,,,,,,,,
CCCCOC(=O)C1=C(C)NC2(O)c3ccccc3C(=O)C12O,CID656186,,,0.0,,0.0,,,0.0,0.0,,,,,,,,
COc1ccc2nc(NC(=O)CSC3=NCCS3)sc2c1,CID655324,,,0.0,,0.0,,,,0.0,,,,,0.0,0.0,,
CCOc1ccc2nc(NC(=O)CSC3=NCCS3)sc2c1,CID647962,,,,,0.0,,,,,,,,0.0,0.0,,,
O=C(CSC1=NCCS1)Nc1nc2ccccc2s1,CID712470,,,,,,,,,0.0,,,,,0.0,,,
Cc1ccc(-c2csc(NC(=S)NC(=O)c3ccco3)n2)cc1,CID887512,,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2csc(NC(=S)NC(=O)c3ccco3)n2)cc1,CID979102,,,,,,,,,,,,,,0.0,,,
O=C(NC(=S)Nc1nc(-c2ccccc2)cs1)c1ccco1,CID738234,,,,,,,,,,,,,,0.0,,,
COc1cc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCc2ccccc2)ccc1O,CID654635,,,,,,,,,,,,0.0,,0.0,,,0.0
CCOc1cc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCc2ccccc2)ccc1O,CID653711,,,0.0,,,,,,,,0.0,,,,,,
CCOc1cc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCc2ccccc2)ccc1O,CID649540,,,0.0,,,0.0,,,,,,,0.0,,,,
Cc1cccc2[nH]c(-c3ccc(NC(=O)c4ccco4)cc3)nc12,CID649286,0.0,,,,,,,,,,0.0,0.0,0.0,,,,0.0
O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccco1,CID763448,0.0,,,,,,,,,,0.0,,,,,,0.0
Cc1ccc2nc(-c3ccc(NC(=O)c4ccco4)cc3)[nH]c2c1,CID891770,0.0,0.0,,,,,,,,,,,,,,,0.0
Cc1cc(C(C)(C)C)oc1C(=O)NCCCNC(=O)c1oc(C(C)(C)C)cc1C,CID3153878,,,,,,,,,,0.0,,0.0,,,,,
O=C(NCCCNC(=O)c1ccco1)c1ccco1,CID2292956,,,0.0,,0.0,0.0,,0.0,,,0.0,,,,,,
Cc1ccoc1C(=O)NCCCNC(=O)c1occc1C,CID651138,,0.0,0.0,0.0,0.0,,0.0,,,,,0.0,,,,,
COc1cccc2cc(C(=O)N3CCc4ccccc43)c(=O)oc12,CID976838,,,,,,,,0.0,0.0,,0.0,,,,,0.0,
CCOc1cccc2cc(C(=O)N3CCc4ccccc43)c(=O)oc12,CID1247498,,,,,,,0.0,,,,0.0,,,,,0.0,
COc1ccc2oc(=O)c(C(=O)N3CCc4ccccc43)cc2c1,CID653307,,,,0.0,,,0.0,0.0,0.0,,,,,,,0.0,
Cc1c(N2C(=O)c3ccccc3C2=O)c(=O)n(-c2ccccc2)n1C,CID651914,0.0,,,,,,0.0,0.0,0.0,,,,,,,,
Cc1c(N2C(=O)c3ccc(F)cc3C2=O)c(=O)n(-c2ccccc2)n1C,CID1014216,,,,,,,,,,,,0.0,,,,,
Cc1c(N2C(=O)c3ccc(Br)cc3C2=O)c(=O)n(-c2ccccc2)n1C,CID1125807,,,,,,,,,0.0,,0.0,,,,,,
O=C(CSc1ncnc2scc(-c3ccccc3)c12)NCc1ccc2c(c1)OCO2,CID2393169,,,,,,,,,,,,,,0.0,,,
O=C(CSc1ncnc2scc(-c3ccc(Cl)cc3)c12)NCc1ccc2c(c1)OCO2,CID1287825,,,,,,,,,,,,,,0.0,,,
Cc1ccc(-c2csc3ncnc(SCC(=O)NCc4ccc5c(c4)OCO5)c23)cc1,CID2214736,,,,,,0.0,,,,,,,,,,,
CC1CCN(C(=O)CSc2nnc(-c3cccnc3)n2C2CCCCC2)CC1,CID645194,0.0,0.0,,,0.0,,,,,,0.0,0.0,0.0,,,0.0,
CC1CCCN(C(=O)CSc2nnc(-c3cccnc3)n2C2CCCCC2)C1,CID653198,0.0,,,,0.0,,,,,,0.0,,0.0,,,0.0,
CC1CCCCN1C(=O)CSc1nnc(-c2cccnc2)n1C1CCCCC1,CID651458,0.0,,,,0.0,,0.0,,,,,,0.0,,,,
CN1CC(c2ccc(C#N)cc2)C2(COc3ccccc3C2=O)C12C(=O)Nc1ccccc12,CID3835430,,,,,,,,,,,,0.0,,,,,
CN1CC(c2ccc(Cl)c(Cl)c2)C2(COc3ccccc3C2=O)C12C(=O)Nc1ccccc12,CID11958854,,,,,,,,,,,,,,0.0,,,
CN1CC(c2ccccc2)C2(COc3ccccc3C2=O)C12C(=O)Nc1ccccc12,CID3715139,,,,,,0.0,,,,,,,,,,,
CCOC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)c3ccc(C)cc3)c(NC(C)=O)c2)CC1,CID3242295,,,,,0.0,0.0,0.0,0.0,,,0.0,,,,,0.0,0.0
CN1CCN(C(=O)c2ccc(S(=O)(=O)c3ccc(Br)cc3)cc2)CC1,CID660055,0.0,,,,,,0.0,,0.0,,,,,,,,0.0
CC(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1S(=O)(=O)c1ccc(C)cc1,CID6624448,,,,,,,,,,,,0.0,,,,,
CSc1cc(C)n(-c2ccc(Cl)cc2)c(=S)c1C(C)=O,CID825262,,,,,,,,,,,,,,,0.0,,
COc1ccc(-n2c(C)cc(C)c(C(C)=O)c2=S)cc1,CID825255,,,,,,,,,,,,,,0.0,,,
COc1ccccc1-n1c(C)cc(SC)c(C(C)=O)c1=S,CID825259,,,,,,,,,,,,,,,0.0,,
CC1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccccc4Cl)o3)cc2)C1,CID3242438,0.0,,,0.0,0.0,,,,0.0,,0.0,,,,,,0.0
CCC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccccc3Cl)o2)cc1,CID3240736,0.0,,0.0,,0.0,,,,0.0,,0.0,0.0,,,0.0,,0.0
CC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccccc3Cl)o2)cc1,CID3241516,0.0,,,,0.0,0.0,,,0.0,,,,,,,,0.0
COc1cc(NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc(OC)c1OC,CID1505243,,,,,,0.0,,,,,,,,,,,
O=S(=O)(c1ccc(NC(=S)Nc2ccccc2)cc1)N1CCOCC1,CID1011325,,,,,,,,,,,,,,0.0,,,
COc1ccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(OC)c1,CID2212492,,,,,,,,,,,,,,0.0,,,
O=C(O)C(Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)OCCO2,CID2841381,,,,,,,,,,,0.0,,,,,,
COc1ccc(CCNS(=O)(=O)c2ccc3c(c2)OCCO3)cc1OC,CID1148827,,,,,,,,,,,,,,,0.0,,0.0
COc1ccc(CCNS(=O)(=O)c2ccc3c(c2)OCCO3)cc1,CID757234,,,,,,,0.0,0.0,0.0,,,,,,,0.0,
c1ccc(OCc2nc3ccccc3s2)cc1,CID700590,,,,0.0,0.0,,,,,0.0,,,0.0,,0.0,,
CCC(=O)Nc1ccc(OCc2nc3ccccc3s2)cc1,CID851643,,,,,,,,,,,,,,0.0,,,
Oc1ccccc1OCc1nc2ccccc2s1,CID761196,,,0.0,,0.0,,,,,0.0,,,,,,,
COc1ccc(C2=NOC(C(=O)Nc3cc(C)on3)C2)cc1,CID9550979,,,,,,,,,,,0.0,,,,,,
Cc1cc(NC(=O)C2CC(c3ccc(F)cc3)=NO2)no1,CID5307528,,0.0,,0.0,,,,0.0,,,,,0.0,0.0,,,
Cc1cc(NC(=O)C2CC(c3cccc(Br)c3)=NO2)no1,CID2962228,,,,,,,,,0.0,,0.0,0.0,,,,0.0,
COc1ccc(-c2ncc3ccccn23)cc1,CID740407,,,0.0,,,,,,,0.0,0.0,0.0,,,,0.0,
O=Cc1nc(-c2ccccc2Cl)n2ccccc12,CID693255,,,,,,,,,,,,,,0.0,,,
O=Cc1nc(-c2ccc(Cl)cc2)n2ccccc12,CID2791582,,,,,,,,,,,,,,0.0,,,
O=C(CCCSc1nc2ccccc2s1)Nc1nccs1,CID2124981,,,0.0,,0.0,,,,0.0,,0.0,,0.0,0.0,,,
Cc1csc(NC(=O)CCCSc2nc3ccccc3s2)n1,CID2085053,,,,,0.0,,,,0.0,0.0,,,,0.0,0.0,,
Cc1cnc(NC(=O)CCCSc2nc3ccccc3s2)s1,CID2102480,,,,0.0,0.0,,,,0.0,,,,0.0,,,,
COc1ccc(CC(=O)Nc2nc3ccccc3s2)cc1S(=O)(=O)N1CCOCC1,CID2124987,,,0.0,,0.0,,,,,,0.0,,0.0,,,0.0,0.0
COc1ccc(CC(=O)Nc2nc3ccc(F)cc3s2)cc1S(=O)(=O)N1CCOCC1,CID2430066,,,,,,,,,,,,,,0.0,,,
COc1ccc2nc(NC(=O)Cc3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)sc2c1,CID2079985,,,,,0.0,0.0,0.0,,,,0.0,,,,,0.0,
Cc1ccc(CN2CCN(CC(=O)NCCCN3CCN(c4ccc(F)cc4)CC3)C2=O)cc1,CID9550499,,,,,,,,,,,,,,0.0,,,
COc1ccc(N2CCN(CCCNC(=O)CN3CCN(Cc4ccccc4C)C3=O)CC2)cc1,CID3240532,,,,,,,,,,,,,0.0,,,,0.0
Cc1ccccc1CN1CCN(CC(=O)NCCCN2CCN(c3ccc(F)cc3)CC2)C1=O,CID3241222,,,,,,,,,,0.0,0.0,,,,,,
O=C(Nc1cccnc1)c1ccc(COc2ccccc2Cl)o1,CID2193223,,,,,,0.0,,,,0.0,,,,,,,
CCOc1ccc(OCc2ccc(C(=O)Nc3cccnc3)o2)cc1,CID892391,,,,,,,,,0.0,0.0,,,,,,,
O=C(Nc1cccnc1)c1ccc(COc2ccccc2Br)o1,CID1223128,,,,,,,0.0,,0.0,,0.0,0.0,,,,,0.0
CCc1ccc(-n2nc3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3n2)cc1,CID2212102,,,,,,,,,,,,,,0.0,,,
Cc1ccc(-n2nc3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3n2)cc1,CID2206620,,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc2c(c1)OCO2,CID2208079,,,0.0,0.0,,,,,,,0.0,,0.0,,,,
Cc1cccc2sc(NC(=O)C3CCCN(S(=O)(=O)c4cccc5nonc45)C3)nc12,CID3237663,,0.0,0.0,,0.0,,,,,,,,,,,,0.0
Cc1ccc2nc(NC(=O)C3CCCN(S(=O)(=O)c4cccc5nonc45)C3)sc2c1,CID3238126,,,,,0.0,,0.0,,,,,,,,,0.0,
COc1ccc2nc(NC(=O)C3CCCN(S(=O)(=O)c4cccc5nonc45)C3)sc2c1,CID3240271,,0.0,,,0.0,,,,,,,,,,,,0.0
CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)NCCc3ccc(OC)c(OC)c3)ccc21,CID3241887,,,,0.0,,,0.0,,,0.0,,,,,0.0,,
COc1ccc(CCNC(=O)CCS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1OC,CID3243707,,,,,,,,0.0,,,,0.0,,,,0.0,
CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)NCCc3ccccc3)ccc21,CID9551165,,,,,,0.0,,,,,,,,,,,
CSc1nc2c(c(=O)n1Cc1ccccc1)SC(C)C2,CID3237667,,,0.0,,0.0,,,,,0.0,,,,,,,0.0
CC1Cc2nc(SCC(N)=O)n(Cc3ccccc3)c(=O)c2S1,CID4056808,,0.0,,,0.0,,,,,,,,,,,,0.0
CCSc1nc2c(c(=O)n1Cc1ccccc1)SC(C)C2,CID3245315,,,,0.0,0.0,,,,,,,,,,,,
CN(C1=NC(=O)S/C1=C\c1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1,CID5348757,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(NC2=NC(=O)S/C2=C\c2ccc(N(C)C)cc2)cc1,CID1561977,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC2=NC(=O)S/C2=C\c2ccc(N(C)C)cc2)cc1,CID1182681,,,,,,0.0,,,,,0.0,,,,,,
COc1ccc(CC(=O)Nc2cccc(-c3nnc(-c4cccc(C)c4)o3)c2)cc1OC,CID2233014,,,,0.0,,,,,,,,,,0.0,,,
COc1ccc(CC(=O)Nc2cccc(-c3nnc(-c4ccc(C)cc4)o3)c2)cc1OC,CID1026546,0.0,,,,,,,0.0,,,,,,0.0,,,0.0
COc1ccc(CC(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1OC,CID1311013,0.0,,,,,,,,,0.0,0.0,,0.0,0.0,,,0.0
Cc1cccc(-c2nc3ccccc3c3nncn23)c1,CID882138,,0.0,,,,,,,,,,,0.0,,,,
c1ccc(-c2nc3ccccc3c3nncn23)cc1,CID645307,,0.0,,0.0,,,0.0,,,,,,,,0.0,,
Cc1cccc2c1nc(-c1ccccc1)n1cnnc21,CID650208,,0.0,0.0,0.0,,,0.0,,,,,,,,,,
CN(C)c1ccc(C2=NOC(CN3C(=O)c4ccccc4S3(=O)=O)C2)cc1,CID665894,0.0,,,,,,,0.0,,,0.0,0.0,,,,,0.0
O=C1c2ccccc2S(=O)(=O)N1CC1CC(c2ccccc2)=NO1,CID664262,,,,,,,,,,,,,,0.0,,0.0,
COc1ccc(C2=NOC(CN3C(=O)c4ccccc4S3(=O)=O)C2)cc1,CID2815883,,,,0.0,,,,,,0.0,0.0,,0.0,0.0,,0.0,
COCCn1c(-c2cc(OC)c(OC)c(OC)c2)nc2oc3ccccc3c(=O)c2c1=O,CID665895,,,0.0,,,,,,,,,,0.0,,,,
COCCn1c(-c2ccccc2)nc2oc3ccccc3c(=O)c2c1=O,CID666115,,,0.0,,,,,,,,,,0.0,,0.0,,
COCCn1c(-c2ccccc2)nc2oc3cc(OC)ccc3c(=O)c2c1=O,CID1867517,,,,,,,,,,,0.0,,,,0.0,,
COc1ccc(OCCCSc2ncccn2)cc1,CID2183703,,,,,,,0.0,,,,,0.0,0.0,0.0,,,0.0
CC(C)(C)c1cccc(OCCCSc2ncccn2)c1,CID2199975,,,,,,0.0,,,,,,0.0,,0.0,,,
Cc1ccc(OCCCSc2ncccn2)cc1C,CID1825708,,,,,,,,,,,0.0,,,,,,
CCCCC(=O)Nc1ccc2c(c1)nc1n2CCOC1,CID666549,,,0.0,,,,,0.0,,,,0.0,0.0,,,,
CCCC(=O)Nc1ccc2c(c1)nc1n2CCOC1,CID667102,,,,,,,0.0,,,,,,0.0,,,,
CS(=O)(=O)Nc1ccc2c(c1)nc1n2CCOC1,CID666035,,,0.0,,,,,,,,,,,,,,
CCOC(=O)c1oc2nc(C)c3c(c2c1N)CC(C)(C)OC3,CID666542,,,,,,0.0,,,,,,,0.0,,,0.0,
CCCc1nc2oc(C(=O)OCC)c(N)c2c2c1COC(C)(C)C2,CID667116,0.0,,,0.0,,0.0,,,0.0,,,,,,,,
CCOC(=O)c1oc2nc(C(C)C)c3c(c2c1N)CC(C)(C)OC3,CID666164,0.0,,,0.0,,0.0,,,0.0,,,,,,,,
Cc1ccc2cc(C(c3nnnn3Cc3ccccc3)N3CCc4ccccc43)c(=O)[nH]c2c1C,CID3175316,,,,,,,,,,,,0.0,,,,,
Cc1cc2cc(C(c3nnnn3Cc3ccccc3)N3CCc4ccccc43)c(=O)[nH]c2cc1C,CID3176751,,,,,,,,,,0.0,,,,,,,
Cc1ccc2cc(C(c3nnnn3Cc3ccccc3)N3CCc4ccccc43)c(=O)[nH]c2c1,CID3176482,,,,,,,,,,0.0,,,,,,,
Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)c2cccs2)c1,CID2139644,,,,,,,,,,,,,,0.0,,,
O=C(CCC(=O)Nc1ccccc1)NNC(=O)c1cccs1,CID1632403,,,,,,,,,,,,0.0,,,,,
Cc1ccc(NC(=O)CCC(=O)NNC(=O)c2cccs2)cc1C,CID1789330,,,,,,,,,,,,,,0.0,,,
COc1ccc(CN2CCN(C(=O)Cc3ccccc3)CC2)c(OC)c1,CID1112833,,,,0.0,,,0.0,,0.0,,,,0.0,,,,
O=C(Cc1ccc(Br)cc1)N1CCN(Cc2ccccc2)CC1,CID1371284,,,,,,,0.0,,,,,,,,,,0.0
COc1ccccc1CN1CCN(C(=O)Cc2ccccc2)CC1,CID742502,0.0,,,,,,,,,,,,,,,,
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N2CCCC2)C2CCCCC2)c(C)c1,CID2202990,,,0.0,,0.0,,,,,0.0,0.0,,,,,,0.0
O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)N1CCCC1,CID1072978,,,,,,,,,,0.0,,0.0,,0.0,0.0,,
Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCC2)C2CCCCC2)cc1,CID2294829,0.0,,0.0,,,,,0.0,,0.0,,,0.0,,,,
CCCn1c(=N)c(C(=O)NCC2CCCO2)cc2c(=O)n3cccc(C)c3nc21,CID652906,,,0.0,0.0,,,,,0.0,,,,0.0,,,,
COCCCn1c(=N)c(C(=O)NCC2CCCO2)cc2c(=O)n3cccc(C)c3nc21,CID653959,,,,,,,,,,,,,,,0.0,,
Cc1ccc2nc3c(cc(C(=O)NCC4CCCO4)c(=N)n3CCCOC(C)C)c(=O)n2c1,CID663780,,0.0,,,,,,,,,,,0.0,,,,
CCOc1ccc(NC(=O)CS(=O)CC(=O)NC2CCCc3ccccc32)cc1,CID652905,,,,,,,,0.0,,,0.0,0.0,,,,,
COc1ccc(NC(=O)CS(=O)CC(=O)NC2CCCc3ccccc32)cc1,CID651450,,,,,,,,0.0,,,,0.0,,,,,
Cc1cccc(C)c1NC(=O)CS(=O)CC(=O)NC1CCCc2ccccc21,CID644728,,,0.0,,,,,0.0,,,0.0,,,,,,
Nn1c(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)nnc1C(F)(F)F,CID2407798,0.0,,,,0.0,,,,,,,,,,,,
COCCCn1cnnc1SCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1,CID4969672,,,,,,0.0,,,,,,,,,,,
Cc1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)n1N,CID2562940,,,,0.0,,,,,0.0,,,0.0,,,,,
NC(=O)c1ccccc1OCC1CC(c2ccccc2)=NO1,CID667236,0.0,,,,,,0.0,0.0,,,,,0.0,,,,
COc1ccc(C2=NOC(COc3ccccc3NC(C)=O)C2)cc1OC,CID666247,,,,0.0,,,,0.0,0.0,,,,,,,,0.0
CC(=O)Nc1ccccc1OCC1CC(c2ccccc2)=NO1,CID2815906,,,,,,,,,0.0,,,0.0,,0.0,,,
c1ccc(-c2nnc(CSc3nncs3)o2)cc1,CID2106171,,,0.0,,0.0,,0.0,,0.0,,,,0.0,,,,
Cc1ccc(-c2nnc(CSc3nnc(C)s3)o2)cc1,CID648821,0.0,0.0,0.0,,0.0,0.0,,,0.0,0.0,,0.0,,0.0,0.0,,
Nc1nnc(SCc2nnc(-c3ccccc3)o2)s1,CID2531569,,,,,,,,,,,,,,0.0,0.0,,
CC1(C)CC(=O)c2cn3nc(C(F)(F)F)nc3nc2C1,CID1945094,,,,,,,,,0.0,,,,,,,,
CC1(C)CC(=O)c2cn3ncnc3nc2C1,CID1859050,,,,,,,,,,,,,,0.0,,,
Cc1nc2nc3c(cn2n1)C(=O)CC(C)(C)C3,CID666590,,0.0,0.0,0.0,,,,,,,,,,0.0,,,
N#CCSc1nc2ccccc2c(=O)n1CCC(=O)NCCc1ccccc1,CID3241732,,0.0,0.0,,,,,0.0,0.0,,,,,,,0.0,
COc1ccc(CCNC(=O)CCn2c(SCC#N)nc3ccccc3c2=O)cc1OC,CID3236090,,,,,,0.0,,,,,,,,,0.0,,
CCOC(=O)CSc1nc2ccccc2c(=O)n1CCC(=O)NCCc1ccc(OC)c(OC)c1,CID9550216,,,,,,,,,,,0.0,,,,0.0,,
COc1cc(OC)nc(NC(=O)CSc2nc3ccccc3[nH]2)n1,CID751798,,0.0,,,,,,,,0.0,,0.0,0.0,,,0.0,
CC(C)Cn1c(SCC(=O)Nc2ncccn2)nc2ccccc21,CID4881278,,,,,,,,,,,,,,0.0,,,
CCOc1ccc2nc(SCC(=O)Nc3ncccn3)[nH]c2c1,CID661801,,0.0,,0.0,,,,,,0.0,,0.0,0.0,,,0.0,
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccccc1,CID1602677,,,,,,,,,,,,,,,,0.0,
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(C)cc1,CID1131428,,,,,,0.0,,,,,0.0,0.0,,,,,
COc1cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)c([N+](=O)[O-])cc1OC,CID5346489,,,,,,0.0,,,,,,,,,,,
Cc1cc(NC(=O)COC(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)no1,CID2571615,0.0,,,,,,,,,,,,0.0,,,,0.0
Cc1cc(NC(=O)COC(=O)c2c(C)nn(Cc3ccccc3)c2C)no1,CID2126283,,,,,,,,,0.0,,0.0,0.0,,,,,
Cc1cc(NC(=O)COC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)no1,CID2112466,0.0,,0.0,,,,0.0,,,,,,,,,0.0,0.0
CCC(=O)Nc1cc(-c2nn(C)c(=O)c3ccccc23)ccc1N1CCOCC1,CID1853751,,,,,,,,,,,,0.0,,,,,
CCCC(=O)Nc1cc(-c2nn(C)c(=O)c3ccccc23)ccc1N1CCOCC1,CID1308958,,,,,,0.0,,,0.0,,0.0,0.0,,,,,
CC(=O)Nc1cc(-c2nn(C)c(=O)c3ccccc23)ccc1N1CCOCC1,CID1848318,,,,,,,,,,,0.0,,,,0.0,,
FC(F)(F)c1cc(-c2ccccc2)nc(NCC2CCCO2)n1,CID2985365,,,,,0.0,,,,,,,,,,,,0.0
Cc1ccc(-c2cc(C(F)F)nc(NCC3CCCO3)n2)cc1,CID3244132,,,,,0.0,,,,,,,,,,,,0.0
Fc1ccc(-c2cc(C(F)(F)F)nc(NCC3CCCO3)n2)cc1,CID2991012,0.0,,,,0.0,,,,,,,,,,,,0.0
CCNc1cc2n(c(=O)n1)CCc1cc(OC)c(OC)cc1-2,CID663825,,,0.0,,,,,,,,,,,,,,
CCN(CC)CCCNc1cc2n(c(=O)n1)CCc1cc(OC)c(OC)cc1-2,CID664605,,,0.0,,,0.0,,,,0.0,,0.0,0.0,,,,
CCCCCCNc1cc2n(c(=O)n1)CCc1cc(OC)c(OC)cc1-2,CID663776,,,,,,,0.0,,,,,,,,,,
Cc1ccc(N2C(=O)CC(Sc3ccccc3C(=O)O)C2=O)cc1C,CID2906361,,,,,,,,,,,,,,0.0,,,
O=C(O)c1ccccc1SC1CC(=O)N(c2ccccc2)C1=O,CID2731746,,,,,,,,,,,,,,,0.0,,
Cc1ccc(N2C(=O)CC(Sc3ccccc3C(=O)O)C2=O)c([N+](=O)[O-])c1,CID2879220,,,,,,,,,,,,,,,0.0,,
CCOC(=O)N1CCN(C(=O)CSCc2nc(-c3ccccc3F)oc2C)CC1,CID3240987,,,0.0,,,,,0.0,,,,0.0,,,,,
CCOC(=O)N1CCN(C(=O)CSCc2nc(-c3ccccc3C)oc2C)CC1,CID3236039,0.0,,,0.0,0.0,,,,,,,,,,,,0.0
CCN1CCN(C(=O)CSCc2nc(-c3ccc(OC)c(OC)c3)oc2C)CC1,CID5307710,,,0.0,,,,0.0,0.0,,,,,,,,,0.0
COc1cccc(Oc2coc3c(CN4CCOCC4)c(O)ccc3c2=O)c1,CID5389808,,,,,,,0.0,,,,,0.0,,,,,
COc1cccc(Oc2c(C)oc3c(CN4CCOCC4)c(O)ccc3c2=O)c1,CID5389774,,,0.0,,,,0.0,,,,,,,,,,
COc1ccc(Oc2c(C)oc3c(CN4CCOCC4)c(O)ccc3c2=O)cc1,CID5822166,,,,,,,,,,,0.0,,,,,,
Nc1c(C(=O)Nc2ccc(Br)cc2)sc2nc(-c3ccco3)ccc12,CID1860843,,,,,,,,,,,,,,0.0,,,
COc1ccccc1NC(=O)c1sc2nc(-c3ccco3)ccc2c1N,CID666371,,,,,,,,,,,0.0,,,,,,
Nc1c(C(=O)Nc2ccc(F)cc2)sc2nc(-c3ccco3)ccc12,CID666567,0.0,0.0,0.0,0.0,,,0.0,0.0,,,0.0,,,,,0.0,
COc1ccc(S(=O)(=O)n2nc(OC(=O)c3ccco3)cc2N)cc1,CID653862,,0.0,,0.0,,0.0,,,,,,,,1.0,,,
Cc1ccc(S(=O)(=O)n2nc(OC(=O)c3ccco3)cc2N)cc1,CID651936,,,,0.0,,,,,,,,,,,,,
Nc1cc(OC(=O)c2ccco2)nn1S(=O)(=O)c1ccc(F)cc1,CID647599,,,,,,,,0.0,,,,,,1.0,,,
CCN1CCN(c2ncnc3c2sc(=S)n3-c2ccccc2)CC1,CID1265763,0.0,0.0,,,0.0,,,,0.0,0.0,,,,,,,
CCCc1nc(N2CCN(C)CC2)c2sc(=S)n(-c3ccccc3)c2n1,CID1520549,0.0,,0.0,0.0,0.0,,,,0.0,0.0,,,,,,,
Cc1nc(N2CCN(C)CC2)c2sc(=S)n(-c3ccccc3)c2n1,CID1241181,0.0,,,,0.0,,0.0,,0.0,0.0,,,0.0,,,,
Cc1c(C(=O)Nc2cccc(Cl)c2)oc2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc12,CID3239612,,,,,,,,,0.0,,,,0.0,,,,
Cc1c(C(=O)Nc2ccccc2Cl)oc2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc12,CID3243835,0.0,,,,,,,,,,0.0,,,,,,
Cc1c(C(=O)Nc2ccc(F)cc2)oc2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc12,CID3236793,,,,0.0,,0.0,,0.0,,0.0,,,,,,,
O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1cc(-c2cccc(Br)c2)nc2ccccc12,CID2391688,,,,,,,,,0.0,,,,,,,,
O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1cc(-c2ccc(F)cc2)nc2ccccc12,CID2334417,,,,,,0.0,,,0.0,,,,,,,,
O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1cc(-c2ccccc2)nc2ccccc12,CID2366734,0.0,,,,,,,,0.0,,0.0,,,,0.0,,
CC1=CC2=c3cccc(C)c3=NC(c3sccc3C)N2N1,CID5769674,,,,,,,,,,0.0,,,,,,,
CC1=CC2=c3ccccc3=NC(c3sccc3C)N2N1,CID5769589,,,,,,0.0,,,,0.0,,,,,,,0.0
CC1=CC2=c3cc(C)ccc3=NC(c3sccc3C)N2N1,CID5295102,,0.0,,,,0.0,,,,,,,,,,,
CCCCn1c(SCC(N)=O)nc2c(sc3ccccc32)c1=O,CID4208316,,,,,,0.0,,,,,,,,,,,
CCSc1nc2c(sc3ccccc32)c(=O)n1C(C)C,CID3684290,,,,,,0.0,,,,,,,,,,,
CC(C)CCn1c(SCC#N)nc2c(sc3ccccc32)c1=O,CID3244591,0.0,,,,0.0,,0.0,,,,,,,,,,
Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)Nc3nccs3)cc12,CID2124745,,,,,,,,,,,,,,,0.0,,
Cc1csc(NC(=O)c2cc3c(C)nn(Cc4ccccc4Cl)c3s2)n1,CID2082451,,,,,,,,,,,,,,0.0,0.0,,
Cc1cnc(NC(=O)c2cc3c(C)nn(Cc4ccccc4Cl)c3s2)s1,CID2091496,,,,,,,,,,,,,,0.0,,,
CC1CN(CCc2ccccc2)CC(C)O1,CID2846152,,,,,,,,,,0.0,,,,,,,
CCCOc1ccc(C(C)(O)CN2CCOCC2)cc1,CID655026,0.0,,,,0.0,,,,,,,,,,,0.0,0.0
CC(CN1CCOCC1)c1ccccc1,CID2845855,,,,,,,,,,0.0,,0.0,,,,,
Cc1c(NC(=O)COc2ncnc3c(Cl)cc(Cl)cc23)c(=O)n(-c2ccccc2)n1C,CID2128432,0.0,,0.0,,,,,,,,,,,,,,
Cc1c(NC(=O)COc2ncnc3ccccc23)c(=O)n(-c2ccccc2)n1C,CID2997996,0.0,,0.0,,,,,0.0,,,,,,,,,
Cc1c(NC(=O)C(C)Oc2ncnc3ccccc23)c(=O)n(-c2ccccc2)n1C,CID2997778,0.0,0.0,0.0,0.0,,,0.0,,,,0.0,,,,,,
O=C(Cn1cnc2c(nnn2-c2ccccc2)c1=O)NCc1ccco1,CID5310423,,,,,,,,0.0,,,,,,,,,
Cc1ccc(-n2nnc3c(=O)n(CC(=O)NCc4ccco4)cnc32)cc1,CID5310027,,,,,,,,0.0,,,,,,,,,
O=C(Cn1cnc2c(nnn2-c2ccc(F)cc2)c1=O)NCc1ccco1,CID3242262,,0.0,0.0,,,,,,,0.0,,,,,,,
O=C(NCCN1CCCCC1)Nc1ccc(F)c(Cl)c1,CID1246132,,0.0,,,,,,,,0.0,,,,,,0.0,
CCOc1ccc(NC(=O)NCCN2C(C)CCCC2C)cc1,CID2959777,,,0.0,,,0.0,,,,,,,0.0,,0.0,,
CCOC(=O)c1ccc(NC(=O)NCCN2CCCCC2)cc1,CID1245680,0.0,,,0.0,,,,,0.0,,,,,,,,
CCCN1C(=O)c2ccc(C(=O)Nc3cc(C)on3)cc2C1=O,CID2953834,,,,0.0,,,,,0.0,,,,0.0,,0.0,,
Cc1cc(NC(=O)c2ccc3c(c2)C(=O)N(CCC(C)C)C3=O)no1,CID977141,,,,,0.0,,,0.0,0.0,,,,,0.0,,,
Cc1cc(NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)no1,CID893927,,,,,,,,,0.0,,,,,,,,
Cc1cccc(N2CCN(c3nc4ccc(Cl)cc4n4cnnc34)CC2)c1C,CID5308213,,,,,,,,,,,,,0.0,,0.0,,
c1ccc(N2CCN(c3nc4ccccc4n4cnnc34)CC2)cc1,CID1473336,,,,,,0.0,,,,,,0.0,,,,,
Cc1cccc(N2CCN(c3nc4ccccc4n4cnnc34)CC2)c1C,CID5307835,,0.0,,,,0.0,,,,,0.0,,0.0,,,,
COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2ccc3c(c2)OCO3)cc1,CID5308214,0.0,,0.0,,,,,,,,,,,,,0.0,0.0
Cc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2ccc3c(c2)OCO3)cc1,CID3239069,0.0,,,,,,0.0,,,,,,,,,0.0,0.0
Cn1cccc1Cc1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)n1-c1ccc(F)cc1,CID5307770,0.0,,,,,,,,,,,,0.0,,,,
COc1cccc(-c2nn(C)c3sc(C(=O)N4CCOCC4)cc23)c1,CID5308215,0.0,,,,,0.0,,0.0,,,,,,,,,
Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)N3CCOCC3)sc21,CID5308778,0.0,,,,,,,,,,,,,,,0.0,
COc1ccc(-c2nn(C)c3sc(C(=O)N4CCOCC4)cc23)cc1OC,CID3236066,0.0,,,,,,,,,,,,0.0,,,0.0,0.0
CNS(=O)(=O)c1cccc(C(=O)OCc2csc(-c3ccccc3)n2)c1,CID2386763,,,,,,,,,,,,,,0.0,,,
O=C(OCc1csc(-c2ccccc2)n1)c1ccc(O)cc1,CID2399726,,,,,,,,,,,,,,0.0,,,
O=C(OCc1csc(-c2ccccc2)n1)c1ccccc1O,CID2393742,,,,,,,,,,,,,,0.0,,,
Clc1ccc(OCCN2CCN(c3ncnc4sccc34)CC2)cc1,CID2537908,,1.0,1.0,0.0,0.0,,,,,,,,,,,,
Cc1sc2ncnc(N3CCN(CCOc4ccc(Cl)cc4)CC3)c2c1C,CID1299127,,,,,,,,,,,,0.0,,,,,
Cc1ccc(OCCN2CCN(c3ncnc4sc(C)c(C)c34)CC2)cc1,CID1999904,,,,,,,,,,,0.0,,,,,,
N#CCSc1nnc(Cc2cccs2)n1C1CCCCC1,CID2623466,0.0,,0.0,,0.0,,,,,0.0,0.0,,,0.0,,,
CC(Sc1nnc(Cc2cccs2)n1C1CCCCC1)C(N)=O,CID4815174,,,,,,0.0,,,,,0.0,,,,,,
NC(=O)CSc1nnc(Cc2cccs2)n1C1CCCCC1,CID2401842,,,,,,0.0,,,0.0,,,,,,,,
COc1cccc(C2C(C(C)=O)=C(O)C(=O)N2Cc2ccco2)c1,CID565938,,,,,,,,,,,,0.0,,,,,
CC(=O)C1=C(O)C(=O)N(Cc2ccco2)C1c1ccccc1,CID646898,,,,,,,,,,,,,,,0.0,,0.0
CC(=O)C1=C(O)C(=O)N(Cc2ccco2)C1c1ccc(F)cc1,CID654247,,,,,,,0.0,,,0.0,,,0.0,,,,
COc1ccc(CCNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1OC,CID4034937,,,,,,,,,,,0.0,,,,,,
COc1ccc(CCNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1OC,CID2997532,,,,0.0,0.0,,,,,,0.0,,0.0,,,,0.0
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2)c(C)c1,CID4214545,,,,,,,,,,,,,,,0.0,,
Cc1ccc(Nc2nc(=O)c3cccnc3s2)cc1,CID973891,,0.0,,0.0,,,,,,0.0,,0.0,,,,0.0,
CC(=O)c1cccc(Nc2nc(=O)c3cccnc3s2)c1,CID1834119,,,,,,0.0,,,0.0,0.0,,,,,,,
CC(=O)c1ccc(Nc2nc(=O)c3cccnc3s2)cc1,CID1094076,,,,,,,,,,0.0,,0.0,,,,,
CC1CCN(C(=O)COC(=O)c2n[nH]c3ccccc23)CC1,CID2355186,,,,,0.0,,,,0.0,,,,0.0,,0.0,,0.0
CC1CCCN(C(=O)COC(=O)c2n[nH]c3ccccc23)C1,CID2998731,,,0.0,,0.0,,,0.0,,,,,0.0,,,0.0,
CC1CCCCN1C(=O)COC(=O)c1n[nH]c2ccccc12,CID3254208,,,,,,0.0,,,,,,0.0,,,,,
O=C(c1cc(-c2cccnc2)nc2ccc(Br)cc12)N1CCC2(CC1)OCCO2,CID1257023,0.0,,,,,,,,,,,0.0,,,,,0.0
O=C(c1cc(-c2cccnc2)nc2ccccc12)N1CCC2(CC1)OCCO2,CID3244391,,,,,,,,,,,,,,,0.0,,
O=C(c1cc(-c2cccnc2)nc2ccc(Cl)cc12)N1CCC2(CC1)OCCO2,CID1261558,0.0,,,,,,,,,,,,,,0.0,,
O=S(=O)(c1ccccc1)c1nc(Nc2cccc(O)c2)sc1Cl,CID2476666,,,,,,,,,,,,,,,0.0,,
Cc1ccc(S(=O)(=O)c2nc(Nc3ccccc3C#N)sc2Cl)cc1,CID1301168,,,,,,,,,,,,,,,0.0,,
Cc1ccc(S(=O)(=O)c2nc(Nc3ccccc3)sc2Cl)cc1,CID1177881,,,,,,,,,,,,,,0.0,,,
O=C(Nc1nc2ccccc2n1Cc1ccccc1)c1ccco1,CID867564,0.0,0.0,,0.0,,,,0.0,,,,0.0,0.0,,0.0,0.0,
O=C(Nc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccco1,CID1034468,0.0,,0.0,,,,0.0,,0.0,,,,0.0,,,0.0,0.0
Cc1ccc(Cn2c(NC(=O)c3ccco3)nc3ccccc32)cc1,CID645654,0.0,,0.0,0.0,,0.0,0.0,,,0.0,,0.0,0.0,,0.0,,0.0
Cn1c(NCc2ccco2)nc2c1c(=O)n(Cc1ccc(Cl)c(Cl)c1)c(=O)n2C,CID657804,0.0,,0.0,,,,,,,,,0.0,,,,,
Cn1c(NCc2ccco2)nc2c1c(=O)n(Cc1ccc(Cl)cc1)c(=O)n2C,CID2980101,0.0,0.0,,,,,,,,,,,0.0,,0.0,,
Cn1c(NCc2ccco2)nc2c1c(=O)n(Cc1ccc(Br)cc1)c(=O)n2C,CID1303477,,,,,,,0.0,,0.0,,0.0,,,,,0.0,0.0
CCCCCCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(CC)CC1,CID662260,,,,0.0,,,,,,,,0.0,,,,,
CCC(CC)COC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(CC)CC1,CID663230,0.0,,,,,,,0.0,,,,0.0,,,,,
CCCCCCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(C)CC1,CID662451,,,0.0,,,,,,,,,,,,,,
COc1ccc(C(=O)CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1,CID662262,0.0,0.0,,0.0,0.0,,,,,,,,0.0,,,0.0,0.0
O=C(CSc1nnc(-c2ccccn2)n1Cc1ccco1)c1ccc(Cl)cc1,CID662845,,0.0,0.0,,0.0,0.0,,,,,,0.0,0.0,0.0,,,0.0
O=C(CSc1nnc(-c2ccccn2)n1Cc1ccco1)c1ccccc1,CID662141,,,,,0.0,0.0,,,,,0.0,,,,,0.0,
O=c1[nH]c2ccsc2c(=O)n1-c1ccc(F)c(Cl)c1,CID3242310,,,0.0,,,,,,,,,,,,,,0.0
O=c1[nH]c2ccsc2c(=O)n1-c1ccc(F)cc1,CID3241221,,,,,,0.0,,,0.0,,0.0,,,,,,
CCN(CC)C(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21,CID6619340,,,,,,,,,,,,,,,0.0,,
C/C(=N\n1cnnc1)c1cccnc1,CID660536,,,,,,,,0.0,,,,,,,,,
C(=N/n1cnnc1)\c1cccnc1,CID660525,,0.0,,0.0,,,,,,,,0.0,,,,,
Cc1nnc(C)n1/N=C/c1cccnc1,CID760456,,,,,,,,,,,,0.0,,,,,
CC1=C(C)CC(C(=O)NCCc2ccccc2)C(C(=O)O)C1,CID2891105,,,,,,0.0,,,,,,0.0,,,,,
O=C(O)C1CC=CCC1C(=O)NCCc1cccc(Cl)c1,CID2933843,,,,,,,,,,0.0,,,,,,,
O=C(O)C1CC=CCC1C(=O)NCCc1ccccc1,CID2900767,,,,,,,,,,,,0.0,,,,,
Cc1cc(NC(=O)CSc2nccn2-c2ccc(Cl)cc2)no1,CID3241665,0.0,0.0,,,0.0,,,,,,0.0,,,,,0.0,0.0
Cc1cc(NC(=O)CSc2nccn2-c2ccc(F)cc2)no1,CID3238529,0.0,,,,0.0,,,,,0.0,,,,,,0.0,
Cc1cccc(-n2ccnc2SCC(=O)Nc2cc(C)on2)c1,CID3236861,0.0,0.0,0.0,0.0,0.0,,0.0,,,,0.0,,,,,,
NC(=O)c1c(NC(=O)C2CCCO2)sc2c1CCC2,CID2970466,,0.0,,0.0,0.0,,0.0,0.0,,0.0,,,0.0,,,,
COC(=O)c1c(NC(=O)C2CCCO2)sc2c1CCC2,CID2861929,,,,,,,,,,,,0.0,,0.0,,,
CCOC(=O)c1c(NC(=O)C2CCCO2)sc2c1CCC2,CID2791251,,,,,,,,,0.0,,,0.0,,,,,
CN(CCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N(C)C)cc2c1=O)CCc1ccccc1,CID5308691,,,,,,0.0,,,,,,,,,,,0.0
CCN(CC)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)NCCN(C)CCc1ccccc1)cn2C,CID3241195,,,,,,,,,,,,,0.0,,,0.0,
CCn1cc(C(=O)NCCN(C)CCc2ccccc2)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21,CID3242232,,,,,0.0,,,,0.0,,,,,,,,
O=C(COc1ccccc1)NC(=S)Nc1ccc2c3c(cccc13)CC2,CID1207633,,,,,,,,,,,,0.0,,,,,
CC(C)c1ccc(OCC(=O)NC(=S)Nc2ccc3c4c(cccc24)CC3)cc1,CID1016791,,,,,,0.0,,,,0.0,0.0,,,0.0,,,
Cc1ccccc1OCC(=O)NC(=S)Nc1ccc2c3c(cccc13)CC2,CID1016443,,,,,,,,,,0.0,0.0,0.0,,,,,
Nc1nnc(-c2cccnc2)s1,CID199037,,,,0.0,,,0.0,,,,,,,,,,
COCCN(C(=O)CC(C)(C)C)c1nnc(-c2cccnc2)s1,CID3212801,,,,,,,,,0.0,,0.0,,,,0.0,,
CC(C)=CC(=O)Nc1nnc(-c2cccnc2)s1,CID653655,,0.0,,,,,0.0,,,,0.0,0.0,,,,,
COc1cccc(/C=N/NC(=O)C(C)n2nnc3ccccc32)c1,CID4111596,,,,,,,,,,,,,,,0.0,,
COc1ccc(/C=N/NC(=O)Cn2nnc3ccccc32)cc1OC,CID770348,,,,,,,,,,,,,,0.0,,,
COc1cc(/C=N/NC(=O)Cn2nnc3ccccc32)cc(OC)c1OC,CID1362117,,,,,,,,,,,,0.0,,,,,
COc1ccc(Cc2nc(-c3cccnc3)no2)cc1OC,CID1105282,,,,,,,,,,,,,,0.0,0.0,,
CCC(c1ccccc1)c1nc(-c2cccnc2)no1,CID2923644,,,,,,,,,,,,,,,0.0,,
Clc1ccc(Cc2nc(-c3cccnc3)no2)cc1,CID784576,,,,,,,,,,,,,,0.0,,,
C/C(=N\NC(=O)c1cccc(Cl)c1)c1cccc(NC(=O)c2ccco2)c1,CID1359010,,,,,,,,,,,,,,,0.0,,
C/C(=N\NC(=O)c1ccc(F)cc1)c1cccc(NC(=O)c2ccco2)c1,CID1358747,,,,,,,,,,,,0.0,,,,,
C/C(=N\NC(=O)c1cccc(C)c1)c1cccc(NC(=O)c2ccco2)c1,CID1028257,,,,,,0.0,,,,,,,,,0.0,,
CC(C)n1nnnc1SCC(=O)c1ccc2c(c1)OCCO2,CID3212965,,,,,,,,,0.0,,,,,,,,
CCn1nnnc1SCC(=O)c1ccc2c(c1)OCCO2,CID3212920,,,,,,0.0,,,0.0,0.0,,,,,,,
CCCn1nnnc1SCC(=O)c1ccc2c(c1)OCCO2,CID653053,,,0.0,,,,,0.0,0.0,,,,,,,0.0,0.0
Cc1ccccc1NC(=O)C1CC(=O)N(c2ccc3c4c(cccc24)CC3)C1,CID3150565,,,,,,,,,,,,0.0,,,,,
O=C(Nc1ccccc1)C1CC(=O)N(c2ccc3c4c(cccc24)CC3)C1,CID2942247,,,,,,,,,,,,0.0,,,,,
N#Cc1ccccc1NC(=O)C1CC(=O)N(c2ccc3c4c(cccc24)CC3)C1,CID2944623,,,,,,,,,,,,,,,0.0,,
COc1cccc(NC(=S)N2CCN(C/C=C/c3ccccc3)CC2)c1,CID1308296,,,,,,0.0,,,,,,,,,,,
S=C(Nc1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1,CID783182,,,,,,,,,,,,,,,0.0,,
COc1ccc(NC(=S)N2CCN(C/C=C/c3ccccc3)CC2)cc1OC,CID2206660,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C(=O)N/C(=C/c2ccco2)C(=O)O)cc1,CID2088722,,,,,,,,,,,,,,,0.0,,
CCCOC(=O)/C(=C\c1ccc([N+](=O)[O-])o1)NC(=O)c1ccccc1,CID5754758,,,,,,,,,,,0.0,,,,,,
O=C(O)/C(=C\c1ccco1)NC(=O)c1ccccc1,CID1897351,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1OCC(=O)O/N=C(\N)Cc1ccc(Cl)cc1,CID2866971,,,,,,,,,,,0.0,,,,,,
Cc1ccc(OCC(=O)O/N=C(\N)Cc2ccc(Cl)cc2)cc1,CID5919570,,,,,,0.0,,,,,,,,,,,
COc1ccc(OCC(=O)O/N=C(\N)Cc2ccc(Cl)cc2)cc1,CID5938988,,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccccc1N1CCOCC1)c1cccnc1Cl,CID714247,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccccc1N1CCOCC1)c1cccnc1,CID969207,,,,,,,,,,,,,,,0.0,,
O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cccnc1,CID1081261,,,,0.0,0.0,,0.0,,0.0,,,,,,,,0.0
CCc1c(C)nc(N)n2c(SCC(=O)N3CCCC(C)C3)nnc12,CID655153,,0.0,,0.0,0.0,,,,,0.0,0.0,,,,,,
Cc1cc2nnc(SCC(=O)N3C(C)CCCC3C)n2c(N)n1,CID647204,,,0.0,,,,0.0,,,0.0,,,,,,,
CCc1c(C)nc(N)n2c(SCC(=O)N3CCC(C)CC3)nnc12,CID652482,0.0,,,,0.0,0.0,,0.0,,0.0,0.0,,0.0,,,,0.0
Cc1cccc2cc(CN(Cc3cccs3)C(c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c12,CID648964,0.0,,,,,,,,,,,,,,,0.0,
CCC(c1nnnn1C1CCCC1)N(Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O,CID654769,0.0,,,0.0,,,,,,,0.0,,,,0.0,,
CCC(c1nnnn1C1CCCC1)N(Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O,CID653699,0.0,,0.0,,,,,,,,0.0,,,,,0.0,
Cc1ccc(N/C=C2\N=C(c3ccco3)OC2=O)cc1,CID5601233,,0.0,,,,,,0.0,,0.0,,,0.0,,,,
O=C1OC(c2ccco2)=N/C1=C\Nc1cccc(Cl)c1,CID5389257,,0.0,,,,,,,,,,,,,,,
O=C1OC(c2ccco2)=N/C1=C\Nc1ccccc1,CID5549608,,,,,,,,0.0,,,0.0,,,,,,
CCC(=O)Nc1nnc(-c2ccco2)o1,CID4536915,,,,0.0,,,,,,,,,,,,,
COC(=O)CSc1nnc(-c2ccco2)o1,CID651593,,,,,,,,,,,0.0,,,,,,
O=C(O)CSc1nnc(-c2ccco2)o1,CID912122,,,,,,,,0.0,,,,0.0,,0.0,,,
COc1ccc(NC(=O)C2CCCCN2S(=O)(=O)c2ccc(F)cc2)cc1,CID5309417,,0.0,,,,,,,,,,,,,,,
CCOc1ccccc1NC(=O)C1CCCCN1S(=O)(=O)c1ccc(F)cc1,CID9551465,,,,,,,,,,,,0.0,,,,,
COc1ccc(NC(=O)C2CCCCN2S(=O)(=O)c2ccc(F)cc2)c(OC)c1,CID3242199,,,0.0,0.0,,,0.0,0.0,,,,,,,,,
Cc1cc(OC(=O)c2ccccc2Cl)cc(=O)n1C,CID824938,,,,,,0.0,,,,,,,,0.0,,,
Cc1cc(OC(=O)c2ccccc2)c([N+](=O)[O-])c(=O)[nH]1,CID7150639,,,,,,,,,,,,,,,0.0,,
Cc1cc(OC(=O)c2ccc(Cl)cc2)cc(=O)n1C,CID824940,,,,,,,,,,,,0.0,,0.0,,,
CCOC(=O)C1CCN(C(=O)c2ccc(Br)o2)CC1,CID2183437,,,,,,,,,0.0,,0.0,0.0,,,,,0.0
CCOC(=O)C1CCCN(C(=O)c2ccco2)C1,CID2905494,,,,,,0.0,0.0,,,0.0,0.0,0.0,,0.0,0.0,,
CCOC(=O)C1CCN(C(=O)c2ccco2)CC1,CID646328,,,,,,0.0,0.0,0.0,0.0,,,,,,,,
COC(=O)c1nc2cc3c(cc2c(C)c1C(=O)OC)OCO3,CID1472972,,,,,,0.0,,,,,,,,,,,
CCOC(=O)CSc1nc2cc3c(cc2cc1C)OCO3,CID859502,,,,,,,,,,,,,,0.0,,,
COC(=O)CSc1nc2cc3c(cc2cc1C#N)OCO3,CID651585,,,0.0,0.0,,0.0,,,,,,,,,,0.0,
Clc1ccc(OCc2nn3c(-c4ccncc4)nnc3s2)cc1,CID665584,0.0,0.0,,,0.0,,,,,,,,,,,,0.0
Clc1ccccc1OCc1nn2c(-c3ccncc3)nnc2s1,CID1234091,0.0,,0.0,,0.0,,,,0.0,,0.0,,,,,,0.0
c1ccc(OCc2nn3c(-c4ccncc4)nnc3s2)cc1,CID663133,0.0,0.0,,0.0,0.0,0.0,,,,,0.0,,0.0,,,0.0,
CC1S/C(=C(\C#N)C(=O)NCc2ccco2)N(c2ccc(F)cc2)C1=O,CID665581,,0.0,,,0.0,0.0,0.0,,,,,,,0.0,,0.0,0.0
CCC1S/C(=C(\C#N)C(=O)NCc2ccco2)N(c2ccc(Br)cc2)C1=O,CID665802,0.0,,,,,,0.0,,0.0,,0.0,,,,,,0.0
CCC1S/C(=C(\C#N)C(=O)NCc2ccco2)N(c2ccc(F)cc2)C1=O,CID665722,,,,,0.0,,0.0,,,0.0,,,0.0,0.0,,0.0,0.0
Cc1cccc(OCC(O)Cn2c(-n3nc(C)cc3C)nc3c2c(=O)[nH]c(=O)n3C)c1,CID665582,,,,,,,0.0,,,0.0,,,,,,,
Cc1cc(C)n(-c2nc3c(c(=O)[nH]c(=O)n3C)n2CC(O)COc2ccccc2C)n1,CID646134,,0.0,,0.0,,,,,,,,,,,,,
Cc1cc(C)n(-c2nc3c(c(=O)[nH]c(=O)n3C)n2CC(O)COc2ccccc2)n1,CID654027,,0.0,,0.0,,,,,,,,,,,,,
CCC(C)NC(=O)Cn1c(=O)n(CCCCC(=O)NCc2ccco2)c(=O)c2ccccc21,CID3238848,,,,,,,0.0,,,,,,0.0,,,,
CCOc1cc2[nH]c(=O)n(CCCCC(=O)NCc3ccco3)c(=O)c2cc1OCC,CID3237668,,,0.0,,,,,,,,,,0.0,,,,
CCCN(CCC)C(=O)Cn1c(=O)n(CCCCC(=O)NCc2ccco2)c(=O)c2ccccc21,CID3236263,,,0.0,,,,,,0.0,,,0.0,,,,,
CC1CCc2c(nc3ncnn3c2N2CC(C)OC(C)C2)C1,CID648149,,,,0.0,,,,,,,,,,,,,
CC1CN(c2c3c(nc4ncnn24)CCCC3)CC(C)O1,CID655833,,,,,,,,0.0,,,,0.0,,,,,
c1nc2nc3c(c(N4CCOCC4)n2n1)CCCC3,CID654158,,,,,,,0.0,,,,,0.0,,,,,
O=C1CN(C(=O)c2ccccc2)c2ccccc2N1,CID734378,,,0.0,0.0,,,,,,,,0.0,,,,0.0,
Cc1cc(C)cc(C(=O)N2CC(=O)Nc3ccccc32)c1,CID2123742,,,,,,,,,,0.0,,0.0,,,,,
O=C1CN(C(=O)c2ccccc2F)c2ccccc2N1,CID2142321,,,,0.0,,,,0.0,,,,,,,,,
O=C(Nc1ccc(Br)cn1)c1ccc([N+](=O)[O-])o1,CID774017,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccc(Cl)cn1)c1ccc([N+](=O)[O-])o1,CID952234,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccc(Cl)cn1)c1ccc(COCC(F)(F)C(F)F)o1,CID1091771,,,,,,,,,0.0,,,,,,,,0.0
CCCN1CC2CCCC3(C1)C(=O)NC1(CCCCC1)N=C23,CID645012,,,0.0,,,,,,,,,,,,,,
CN1CC2CCCC3(C1)C(=O)NC1(CCCCC1)N=C23,CID2964782,,,,,,,,0.0,,0.0,,,,0.0,,,
CCN1CC2CCCC3(C1)C(=O)NC1(CCCCC1)N=C23,CID618900,0.0,,,,,,,,,,,,,,,,
COc1cccc(NC(=O)Cn2c(=O)n(CCCC(=O)NCc3ccco3)c(=O)c3ccccc32)c1,CID3237975,,,,,,,,0.0,0.0,,,,,,,,
Cc1ccc(NC(=O)Cn2c(=O)n(CCCC(=O)NCc3ccco3)c(=O)c3ccccc32)cc1,CID3244417,,,0.0,,,,,,,,,,0.0,,,,
CCc1ccc(NC(=O)Cn2c(=O)n(CCCC(=O)NCc3ccco3)c(=O)c3ccccc32)cc1,CID3236050,,,,,,,0.0,,0.0,,,0.0,0.0,,,,
C=CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccoc1,CID658222,0.0,,,,0.0,,0.0,0.0,,,,,0.0,,,,
CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccoc1,CID2838740,0.0,,0.0,,0.0,,,,,,,,,,,,
CCSc1cc(C2C(C#N)=C(N)OC(C)=C2C(=O)OC)c(C)o1,CID2949682,,,,,0.0,,,,,,,,0.0,,,,
COc1ccc(C)cc1NC(=O)CCN1CCCC1,CID771481,,,0.0,,,,0.0,0.0,,0.0,,0.0,,,,,
O=C(CCN1CCCC1)Nc1cccc(Br)c1,CID660492,0.0,,,,,,,,,,,0.0,,,,0.0,0.0
COc1ccc(NC(=O)CCN2CCCC2)c(OC)c1,CID740042,,,,,,,,,,,,,,0.0,,,
Cc1nc2ccccn2c1C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C,CID992794,,,,,,,,,,,0.0,,,,,,
Cc1nc2ccccn2c1C(=O)N/N=C/c1cc(C)n(-c2ccc(Br)cc2)c1C,CID1018612,,,,,,,,,0.0,,0.0,,,,,,
Cc1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)c3c(C)nc4cc(C)ccn34)c2C)c1,CID1227657,,,,,,,,,,,0.0,0.0,,,,,
C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)c1ccccc1O,CID772595,,,,,,,,,,,,,,0.0,,,
C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)c1cccc(F)c1,CID903936,,,,,,,,,,0.0,,,,,,,
C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)c1ccccc1,CID902909,,,,,,,,,,0.0,,,,,,,
COc1ccc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)cc1,CID789929,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1C(=O)NNC(=O)Cc1ccccc1,CID795844,,,,,,,,,,0.0,,0.0,,,,,
Cc1ccc(C(=O)NNC(=O)Cc2ccccc2)cc1,CID691943,,,,,,,,,,,,0.0,,0.0,,,
C/C(Nc1cccc(O)c1)=C1/Sc2ccccc2C1=O,CID5389102,,0.0,,,,,,,,,,,,,,,
C/C(Nc1cccc(C)c1)=C1/Sc2ccccc2C1=O,CID6859005,,,,,,,,,,0.0,,,,0.0,0.0,,
O=C1/C(=C/Nc2cc([N+](=O)[O-])ccc2O)Sc2ccccc21,CID5399788,,,,,,,,,,,,,,0.0,,,
C=CCN1C(=O)C(Cc2ccc(OC)cc2)S/C1=N\N=C\c1cccs1,CID2872499,,,,,,0.0,,,,0.0,0.0,,,,,,
C=CCN1C(=O)C(Cc2ccc(OCC)cc2)S/C1=N\N=C\c1cccs1,CID2872681,,,,,,,,,,0.0,,,,,,,
C=CCN1C(=O)C(Cc2ccccc2)S/C1=N\N=C\c1cccs1,CID4663696,,,,,,0.0,,,,,,,,,,,
Cc1ccc(CCN2C(=O)CCC2(C)C(=O)NCc2cccnc2)cc1,CID4550256,,,,,,,,,,,,,,,0.0,,
COc1ccc(CCN2C(=O)CCC2(C)C(=O)NCc2cccnc2)cc1OC,CID3244780,,,,,0.0,,,,,,,,,0.0,,,0.0
CC1(C(=O)NCc2cccnc2)CCC(=O)N1CCc1ccccc1,CID3432298,,,,,0.0,,0.0,,,,,,,,,,
O=C(O)C1C2C=CC3(CN(Cc4ccco4)C(=O)C13)O2,CID2772034,,,,,,,,,,,,,,,,,0.0
CCCOC(=O)C1C2C=CC3(CN(Cc4ccco4)C(=O)C13)O2,CID5389998,,,,,,,,0.0,,,,,,,0.0,,
COC(=O)C1C2C=CC3(CN(Cc4ccco4)C(=O)C13)O2,CID2943279,,,,,,,0.0,,,,,,0.0,,,,0.0
Cn1cc(C(=O)c2ccc(Cl)cc2)cc1-c1nc2ccccc2n1C,CID665250,0.0,,0.0,,0.0,,,,,,,,0.0,,,0.0,0.0
Cn1cc(C(=O)c2ccccc2)cc1-c1nc2ccccc2n1C,CID976744,0.0,,0.0,0.0,,,,,,,0.0,0.0,,,0.0,,
Cn1cc(C(=O)c2ccc(F)cc2)cc1-c1nc2ccccc2n1C,CID647718,,,,,,,,,,,,0.0,0.0,,,,
COC(=O)CC1(c2ccccc2)C(=O)c2ccccc2C1=O,CID754873,,,,,,0.0,,,,,,0.0,,0.0,,,
O=C(O)CC1(c2ccccc2)C(=O)c2ccccc2C1=O,CID759372,,,0.0,,,,,,0.0,,,,,,,,
COc1ccc(C2C(=O)c3ccccc3C2=O)cc1OC,CID310608,,,,,,,,,,,,,,0.0,0.0,,
Cn1c(CSc2nc3ccccc3s2)n[nH]c1=S,CID704306,,,,,0.0,,0.0,,0.0,,,,,,,,
C=CCn1c(CSc2nc3ccccc3s2)n[nH]c1=S,CID703314,,,,,,,,,0.0,,,,,0.0,,,
CCn1c(CSc2nc3ccccc3s2)n[nH]c1=S,CID2363757,,,,,,,,,0.0,,,,,0.0,,,
CCOc1cc(C2C(C(=O)c3ccccc3)=C(C(=O)OC)N=C3N=NNN32)ccc1O,CID5771329,,,,,,,,0.0,,0.0,,,,0.0,,,
COC(=O)C1=C(C(=O)c2ccc(C)cc2)C(c2ccc(O)c(OC)c2)N2NN=NC2=N1,CID5771338,,,,,,,,,,,,,0.0,,,,
CCOc1cc(C2C(C(=O)c3ccc(C)cc3)=C(C(=O)OC)N=C3N=NNN32)ccc1O,CID5771497,,,,,,,,0.0,,,,,0.0,,,,
Cc1cccc(NC(=O)CSc2ncnc3nc[nH]c23)c1,CID851601,,,,,,,,,,,,0.0,,,,,
Cc1cccc(C)c1NC(=O)CSc1ncnc2nc[nH]c12,CID851598,,,,,,,,,,,,,,,0.0,,
Cc1cccc(NC(=O)CSc2ncnc3nc[nH]c23)c1C,CID1091800,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(NC(=O)C(=O)NCCCn2ccnc2)cc1,CID3148503,,,,,,,,,,,,0.0,,,,,
COc1ccc(NC(=O)C(=O)NCCCn2ccnc2)cc1,CID2856001,,,,,,,,,,,,,,,0.0,,
CCCCCOc1ccc(NC(=O)C(=O)NCCCn2ccnc2)cc1,CID4457281,,,,,,,,,,,,0.0,,,,,
O=C1C2ON(c3ccccc3)C(c3cccnc3)C2C(=O)N1c1ccc(Cl)c(Cl)c1,CID662584,0.0,,,,,,,,,,,,,,,,
O=C1C2ON(c3ccccc3)C(c3cccnc3)C2C(=O)N1c1ccccc1,CID662085,,,0.0,,,,,,,,,,,,,,
Cc1ccccc1N1C(=O)C2ON(c3ccccc3)C(c3cccnc3)C2C1=O,CID662739,,0.0,,,,,,,,,,,,,,,
O=[N+]([O-])/C(=C\Nc1ccccc1)S(=O)(=O)c1ccccc1,CID1473944,,,,,,,,,0.0,,0.0,0.0,,0.0,,,
Cc1cccc(N/C=C(\[N+](=O)[O-])S(=O)(=O)c2ccccc2)c1,CID1487302,,,,,,,,,,,,,,0.0,,,
Cc1ccc(N/C=C(\[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1,CID1487286,,,,,,,,,,,,,,0.0,,,
CCS(=O)(=O)N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1,CID1151587,,,0.0,,,,0.0,0.0,,0.0,,,,0.0,,,0.0
CCCS(=O)(=O)N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1,CID1151712,,,,,,0.0,,,,0.0,0.0,,0.0,0.0,,,
CS(=O)(=O)N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1,CID717171,,0.0,0.0,,,0.0,0.0,,,,0.0,,0.0,,,,
COc1ccc(Br)cc1C(=O)Nc1cccc(-c2nnc(-c3ccco3)o2)c1,CID1026416,0.0,,,,,,,,,,0.0,,,,,0.0,0.0
COc1ccc(C(=O)Nc2cccc(-c3nnc(-c4ccco4)o3)c2)cc1,CID1299744,,,,,,,,,,0.0,,0.0,,,,,
COc1cccc(C(=O)Nc2cccc(-c3nnc(-c4ccco4)o3)c2)c1,CID1025945,,,,,,,,,0.0,,,0.0,,0.0,,,
c1ccc(OCCSc2nnc3sc4ccccc4n23)cc1,CID1576577,0.0,,,0.0,0.0,0.0,,,,0.0,,,0.0,,,,
COc1cccc(OCCSc2nnc3sc4ccccc4n23)c1,CID1586862,0.0,,0.0,,0.0,,0.0,,,,,,,,,,
COc1ccc(OCCSc2nnc3sc4ccccc4n23)cc1,CID2612601,0.0,0.0,,,0.0,,0.0,,,,,,,,,,0.0
C=CCN1C(=O)CS/C1=C(\C#N)S(=O)(=O)c1ccc(C)cc1,CID1859047,,,,,0.0,,,,0.0,0.0,,,0.0,0.0,,,
CCN1C(=O)CS/C1=C(\C#N)S(=O)(=O)c1ccccc1,CID1832447,,,0.0,,0.0,,0.0,,0.0,0.0,,,,0.0,,,
O=C1CS/C(=C\S(=O)(=O)c2ccc(Cl)cc2)N1,CID2090114,,,,,,,,,0.0,,,,,,0.0,,
CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=S)Nc2ccccc2)cc1,CID1226813,,,,,,0.0,,,,,,,,,0.0,,
Cc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=S)Nc3ccccc3)cc2)c1,CID1013091,,,,,,,,,,,,,,,0.0,,
O=S(=O)(Nc1ccc(F)cc1)c1ccc(NC(=S)Nc2ccccc2)cc1,CID1336990,,,,,,,,,,,,,,,0.0,,
COc1ccc(CCNC(=O)CCn2c(=O)oc3ccccc32)cc1,CID3163761,,,0.0,0.0,,,,0.0,0.0,,0.0,,0.0,,,0.0,0.0
COc1ccccc1CCNC(=O)CCn1c(=O)oc2ccccc21,CID767670,,,,,,,,,0.0,,0.0,0.0,,,,,
COc1ccc(CCNC(=O)CCn2c(=O)oc3ccccc32)cc1OC,CID5310273,,0.0,0.0,,,,,0.0,,,,,,,,,
Cc1cc(C)n(CC(=O)NC2CCCCC2)n1,CID856392,,,,,,,0.0,,,,,,,,0.0,,
Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)NC1CCCCC1,CID824587,,,,,,0.0,,,,,,,,,0.0,,
Cc1cc(C(F)(F)F)nn1CC(=O)N(C)C1CCCCC1,CID749632,,,,,,,,,0.0,,,,,,,,
Cc1ccccc1NC(=O)C1CCN(c2cc(-c3ccccc3)nc3ncnn23)CC1,CID3227286,,,,,,,,,,0.0,,,,,,,
COc1ccc(OC)c(NC(=O)C2CCN(c3cc(-c4ccccc4)nc4ncnn34)CC2)c1,CID656106,,,,,,,0.0,,,,,,0.0,0.0,,,0.0
COc1ccc(NC(=O)C2CCN(c3cc(-c4ccccc4)nc4ncnn34)CC2)cc1OC,CID653614,0.0,,,,,,,,,0.0,,0.0,0.0,,,0.0,0.0
CCCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1ccccn1,CID665037,,0.0,,,0.0,,,,0.0,,0.0,,0.0,,,,
Cc1ccc2[nH]c(=O)c(CN(C)C(=O)c3ccccn3)cc2c1,CID665054,,0.0,0.0,,0.0,,,0.0,0.0,,,,0.0,,,,
CCCCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)c1ccccn1,CID665064,,,,,0.0,,,0.0,,,0.0,,,,,,0.0
Cc1ccc(-c2nc(NCCN3CCOCC3)c3ccccc3n2)cc1,CID800337,,,0.0,,,,0.0,0.0,,,0.0,0.0,,,,,
Clc1ccc(-c2nc(NCCN3CCOCC3)c3ccccc3n2)cc1,CID1181447,0.0,,0.0,,,0.0,,,,,0.0,,,,,0.0,0.0
Clc1cccc(-c2nc(NCCN3CCOCC3)c3ccccc3n2)c1,CID1182103,,,,,,,,,,,,,,,0.0,,
Cc1cc2ncn(C(=O)c3c(-c4c(Cl)cccc4Cl)noc3C)c2cc1C,CID1212426,0.0,,,,,,,,,,,,0.0,,,,
Cc1cc2ncn(C(=O)c3c(-c4ccccc4)noc3C)c2cc1C,CID798239,,0.0,0.0,0.0,,,0.0,0.0,,,,0.0,,,,,
Cc1cc2ncn(C(=O)c3c(-c4ccccc4Cl)noc3C)c2cc1C,CID1150894,0.0,0.0,,,0.0,,,,,,,,0.0,,,,
Cc1cccc(N(CC(=O)NCc2ccco2)C(=O)CCC(=O)Nc2ccccn2)c1,CID652502,,,,,,,,0.0,,,,,,,,,0.0
Cc1ccc(N(CC(=O)NCc2ccco2)C(=O)CCC(=O)Nc2ccccn2)cc1C,CID645780,,,,,,,,,,,0.0,0.0,0.0,,,,0.0
Cc1ccc(C)c(N(CC(=O)NCc2ccco2)C(=O)CCC(=O)Nc2ccccn2)c1,CID653483,,,0.0,,,,,,0.0,,0.0,,0.0,0.0,,,0.0
O=C(NCc1cccc(C(F)(F)F)c1)C1CCN(c2ncccn2)CC1,CID652504,0.0,,,,0.0,,,,,0.0,,,,,,,0.0
Cc1cc(C)nc(N2CCC(C(=O)NCc3ccccc3)CC2)n1,CID1085093,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)nc(N2CCC(C(=O)NCc3cccc(C(F)(F)F)c3)CC2)n1,CID648569,0.0,,,,0.0,,,,,0.0,,,,,,,0.0
O=C(Nc1ccc2c(c1)CCC2)C1CCN(c2ncccn2)CC1,CID654903,0.0,,,,,,0.0,,,,,,,,,,
Cc1cc(C)nc(N2CCC(C(=O)Nc3ccc4c(c3)CCC4)CC2)n1,CID648454,0.0,0.0,0.0,0.0,,,,,,,0.0,,0.0,,,,0.0
Cc1ccnc(N2CCC(C(=O)Nc3ccc4c(c3)CCC4)CC2)n1,CID653682,0.0,0.0,0.0,,,,,,,,0.0,,,,,,
CC(C)(C)c1ccc(C(=O)CSc2n[nH]c(=O)[nH]c2=O)cc1,CID2370916,,,,,,,,,,,,,,0.0,,,
O=C(CSc1n[nH]c(=O)[nH]c1=O)c1ccccc1,CID646523,,0.0,0.0,,,,,,0.0,,,0.0,,,,,
COc1ccc(C(=O)CSc2n[nH]c(=O)[nH]c2=O)cc1,CID1405265,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc3c2CCCC3)cc1,CID1292111,,,,,,0.0,,,,,,0.0,,0.0,,,
CN(CC(=O)Nc1cccc2c1CCCC2)S(=O)(=O)c1ccc(Br)cc1,CID1253830,,,,,,,,,,,,,,0.0,,,
CN(CC(=O)Nc1cccc2c1CCCC2)S(=O)(=O)c1ccc(Cl)cc1,CID2215872,,,,,,0.0,,,,,,0.0,,,0.0,,
CCN1CCN(Cc2c(O)c(Cl)cc3c(C)cc(=O)oc23)CC1,CID5310872,,,,,,,0.0,,,,,,0.0,,,,
Cc1cc(=O)oc2c(CN3CCN(C)CC3)c(O)c(Cl)cc12,CID5389393,,,0.0,,,,,,,,,,,,,,0.0
Cc1c(C)c2cc(Cl)c(O)c(CN3CCN(C)CC3)c2oc1=O,CID5389492,,,,0.0,,,,,,,,,,,,,
CCOC(=O)N1CCC(N2Cc3cccc(C(=O)NCc4ccc(C)cc4)c3C2=O)CC1,CID5309591,0.0,,,,,,,0.0,,,,,,,0.0,,
CCOC(=O)N1CCC(N2Cc3cccc(C(=O)NCc4ccc(OC)cc4)c3C2=O)CC1,CID3240324,,,,,,,,0.0,0.0,0.0,,,,,,,
CCOC(=O)N1CCC(N2Cc3cccc(C(=O)NCc4ccccc4OC)c3C2=O)CC1,CID3241543,,0.0,,,0.0,,0.0,0.0,0.0,0.0,,,,,,,
COc1ccccc1NC(=O)c1c(N)sc2c1CCC2,CID776044,,,,,,0.0,,,,,,,,,,,
CCC(=O)Nc1sc2c(c1C(=O)Nc1ccc(OC)cc1)CCC2,CID2256469,,,,,,0.0,,,,,,,,,,,
CC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1C)CCC2,CID867752,,,,,,0.0,,,,,,,,,,,
CCCOc1ccc(N2C(=O)CC(S/C(N)=N/N=C(\C)c3cccs3)C2=O)cc1,CID11958873,,,,,,0.0,,,,,,,,,,,
C/C(=N\N=C(/N)SC1CC(=O)N(c2ccccc2)C1=O)c1cccs1,CID2858920,,,,,,0.0,,,,,,,,,,,
CCCCCCOc1ccc(N2C(=O)CC(S/C(N)=N/N=C(\C)c3cccs3)C2=O)cc1,CID11958861,,,,,,0.0,,,,,,,,,,,
CCCn1c2ccccc2c2nnc(SCC(=O)Nc3cc(C)on3)nc21,CID2889736,,,,,,0.0,,,,,,,,,0.0,,
CCn1c2ccccc2c2nnc(SCC(=O)Nc3cc(C)on3)nc21,CID618401,,0.0,0.0,0.0,0.0,,,,,,,,,,,,
CCCn1c2ccccc2c2nnc(SC(CC)C(=O)Nc3cc(C)on3)nc21,CID2913979,,,,,,,,,,,0.0,,,,,,
CCCn1c(SCC(=O)NCC2CCCO2)nc2c1c(=O)n(C)c(=O)n2C,CID646262,,0.0,,,,,,,,,,0.0,,,,,
Cn1c(=O)c2c(nc(SCC(=O)NCC3CCCO3)n2C)n(C)c1=O,CID646802,,0.0,0.0,0.0,,,,0.0,,,,0.0,,,,,0.0
CCn1c(=O)c2c(nc(SCC(=O)NCC3CCCO3)n2C)n(C)c1=O,CID652917,,0.0,,0.0,,,,,,,,,,,,,
COc1ccc(N2C(=O)CCC(C(=O)Nc3ccccn3)C2c2ccc(OC)c(OC)c2)cc1,CID3239564,,,0.0,,0.0,,,,,,,,,,,,
COc1ccc(N2C(=O)CCC(C(=O)Nc3cccc(C)n3)C2c2ccc(OC)c(OC)c2)cc1,CID3240258,,0.0,,,0.0,,,,0.0,,0.0,,,,,,
COc1ccc(C2C(C(=O)Nc3cccc(C)n3)CCC(=O)N2c2ccc(OC)cc2)cc1,CID3243090,0.0,0.0,,,0.0,,,0.0,0.0,,0.0,,,,,,
COc1ccc(CC(=O)NCc2cccs2)cc1OC,CID898832,,,,,,,,,,0.0,,,,,,,
COc1ccc(CC(=O)NCc2cccs2)cc1,CID2124830,,,,,0.0,,0.0,0.0,,,,,0.0,,,0.0,
COc1cc(CC(=O)NCc2cccs2)cc(OC)c1OC,CID2515781,,,,,,,,,,,,,,0.0,,,
CCOC(=O)CSc1nn(C)c(=S)s1,CID3406810,,,,,0.0,,,,,,,,,,0.0,,
CCOC(=O)C(Sc1nn(C)c(=S)s1)C(C)=O,CID3644691,,,,,,,,,,,,,,,0.0,,
Cn1nc(SCC(=O)O)sc1=S,CID662907,,,,,0.0,,0.0,,,,,,,,0.0,,
CN(CC(CC(=O)Nc1nncs1)c1ccccc1)S(=O)(=O)c1ccccc1,CID5001940,0.0,0.0,,,0.0,0.0,,,,,,,,,,,0.0
Cc1nnc(NC(=O)CC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)s1,CID3437911,,,,,,,,,,,,0.0,,,,,
CN(CC(CC(=O)Nc1nncs1)c1ccccc1)S(=O)(=O)c1ccc(Br)cc1,CID3647020,,,,,,,,,,,,0.0,,,,,
COc1ccc(OC)c(C2=NOC(C(=O)NCC3CCCO3)C2)c1,CID3241835,,0.0,,,,,,,0.0,,,,0.0,,,,0.0
COc1cccc(C2=NOC(C(=O)NCC3CCCO3)C2)c1,CID3243773,,,,,,,,,,,,0.0,0.0,,,,0.0
O=C(NCC1CCCO1)C1CC(c2ccc(Cl)c(Cl)c2)=NO1,CID2962204,,,,,,,0.0,,,,,,,,,,
Cc1ccc2cccc(O)c2[n+]1[O-],CID3241830,,,,,,,,0.0,,,,,,0.0,,,
Cc1cc(C)c2ccc(C)[n+]([O-])c2c1O,CID762736,,,,,,,,,0.0,,,,0.0,,,0.0,
CC[n+]1c(S(=O)(=O)[O-])ccc2ccc(C)cc21,CID3118199,,,,,,,,,,,,,,0.0,,,
CC12CC(NC(=O)N1Cc1ccccc1)c1ccccc1O2,CID3241838,,,,,,0.0,,,,,,0.0,,,,0.0,0.0
CCOC(=O)C1C2NC(=O)N(Cc3ccccc3)C1(C)Oc1c(OC)cccc12,CID3245682,,,0.0,,,,0.0,0.0,,,,,,0.0,,0.0,
CC12CC(NC(=O)N1Cc1ccccc1)c1cc(Cl)ccc1O2,CID3242323,0.0,0.0,,,,,,,,,,,,,,0.0,0.0
Cc1cccc(NC(=O)c2sc(NC(=O)c3ccco3)c(C#N)c2C)c1C,CID647133,0.0,,,,0.0,,0.0,0.0,,,,0.0,,,,0.0,
COC(=O)c1c(NC(=O)c2ccco2)sc(C(=O)Nc2ccc(F)cc2)c1C,CID650344,,,,0.0,,,,,,0.0,,,,0.0,,,
COc1ccccc1NC(=O)c1sc(NC(=O)c2ccco2)c(C#N)c1C,CID1107400,,,,,,,,,,,0.0,0.0,,0.0,0.0,,
CCCn1c(N)c(C(c2ccc(C(=O)OC)cc2)N2CCN(c3ccccc3)CC2)c(=O)[nH]c1=O,CID2999301,,,,,,,,,0.0,,,,,,,0.0,
COC(=O)c1ccc(C(c2c(N)n(CC(C)C)c(=O)[nH]c2=O)N2CCN(c3ccccc3)CC2)cc1,CID2999141,,,,,,,,,,0.0,,,0.0,,,0.0,
CCCn1c(N)c(C(c2ccc(OC)cc2)N2CCN(c3ccccc3)CC2)c(=O)[nH]c1=O,CID4885256,,,,,,,,,,,,,,,0.0,,
Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1,CID2162831,,,,,,,,,,,,,,0.0,,,
CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2cccs2)cc1,CID1226822,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3cccs3)cc2)c(C)c1,CID1012745,,,,,,,,,,,,,,,0.0,,
Cc1ccc(N(CC(=O)NC2CCCCCC2)S(=O)(=O)c2c(C)nn(C)c2C)cc1,CID3236369,0.0,,,0.0,,,,,,,,,0.0,,,,0.0
COc1ccc(N(CC(=O)NC2CCCCCC2)S(=O)(=O)c2c(C)nn(C)c2C)cc1,CID3240173,0.0,,,,0.0,0.0,,,,,0.0,,,,,,0.0
Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)NC1CCCCCC1)c1ccc(C(C)C)cc1,CID9550508,,,,,,0.0,,,,,,0.0,,,,,
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)cc1,CID3236366,,0.0,,,0.0,,,0.0,,,,,,,,0.0,
COc1cc(F)ccc1S(=O)(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1,CID2951004,,,,,,,,,,0.0,,,,,,,
COc1ccc(OC)c(S(=O)(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)c1,CID3239959,0.0,,0.0,,0.0,,,,,0.0,,,,,,,
Cn1ccnc1SCC(=O)c1ccc(Br)cc1,CID3236360,0.0,,,,,,,,0.0,,0.0,,,,,0.0,
Cn1ccnc1SCC(=O)c1cccc(Br)c1,CID4130922,,,,,,,,,,,,0.0,,,,,
Cn1c(CO)cnc1SCC(=O)c1ccc(Br)cc1,CID1476234,,,,,,,,,,,,,,0.0,,,
CCn1c(=O)n(CC(=O)Nc2cc(OC)ccc2OC)c(=O)c2ccccc21,CID3236363,,,0.0,,,,,0.0,,,,,,,,,0.0
CCOc1ccccc1NC(=O)Cn1c(=O)c2ccccc2n(CC)c1=O,CID4462551,,,,,,,,,,,0.0,,,,,,
CCn1c(=O)n(CC(=O)Nc2cccc(OC)c2)c(=O)c2ccccc21,CID3240565,,,0.0,,0.0,,,0.0,0.0,,,,,,,,
Cc1ccc(-n2c(SCC(=O)NCC3CCCO3)nc3nnc(C)c-3c2N)cc1Cl,CID3241291,,,,,0.0,,,,,,0.0,,,,,,
Cc1nnc2nc(SCC(=O)NCC3CCCO3)n(-c3ccc(Br)cc3)c(N)c1-2,CID3240094,0.0,,,,,,,,,,,,,,,0.0,
COc1ccc(-n2c(SCC(=O)NCC3CCCO3)nc3nnc(C)c-3c2N)cc1,CID3239338,,0.0,,0.0,0.0,,,0.0,,,,,,0.0,,0.0,
COc1ccc(-n2nc3c(c2NC(=O)c2c(-c4ccccc4Cl)noc2C)CS(=O)(=O)C3)cc1,CID3241298,,,,,0.0,,,,0.0,,,0.0,,,,,
Cc1ccc(-n2nc3c(c2NC(=O)c2c(-c4ccccc4Cl)noc2C)CS(=O)(=O)C3)c(C)c1,CID3238491,,0.0,,,0.0,,0.0,,0.0,,0.0,0.0,0.0,0.0,,,
Cc1ccccc1-n1nc2c(c1NC(=O)c1c(-c3ccccc3Cl)noc1C)CS(=O)(=O)C2,CID3238476,,,0.0,,0.0,,,,0.0,,,0.0,,,,,0.0
Cc1cc(C)n2cc(CSc3nnnn3-c3ccccc3)nc2n1,CID658925,,0.0,0.0,0.0,0.0,,0.0,,,,0.0,,,,,,
Cc1cc(C)n2cc(CSc3nnnn3-c3ccccc3C)nc2n1,CID2997949,,,,0.0,0.0,,,,,,,,,,,,
Cc1cc(C)n2cc(CSc3nnnn3-c3ccc(Cl)cc3)nc2n1,CID2999642,,0.0,,0.0,0.0,,,,,,0.0,,,,,,
CC(=O)c1cccc(-n2nnnc2SCC(=O)N2CCCC2)c1,CID644826,,,,0.0,0.0,,,0.0,,,,,0.0,,,0.0,
COc1cc(OC)cc(-n2nnnc2SCC(=O)N2CCCC2)c1,CID654760,,,,0.0,,,,,,,,,0.0,,,,
COc1ccc(-n2nnnc2SCC(=O)N2CCCC2)cc1OC,CID646277,,0.0,,0.0,,,,,,,,,,,,,
C1=Nc2c(ncnc2N2CCOCC2)Oc2ccccc21,CID900081,,,,,,,,,0.0,,,,,,,,
Clc1ccc2c(c1)C=Nc1c(ncnc1N1CCOCC1)O2,CID658248,0.0,0.0,0.0,,,,,,,0.0,,,0.0,,,0.0,0.0
Brc1ccc2c(c1)C=Nc1c(ncnc1N1CCOCC1)O2,CID658391,,,,,,,,,0.0,,0.0,,,,0.0,0.0,
Cn1c(=O)c2c(ncn2CC(=O)Nc2nnc(Cc3ccccc3)s2)n(C)c1=O,CID1305960,,,,0.0,0.0,,,,,,,,0.0,,,0.0,
COc1ccc(Cc2nnc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)s2)cc1OC,CID4024522,,,,,,,,,,0.0,,0.0,,,,,
COc1ccc(Cc2nnc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)s2)cc1,CID2927833,,,,,,,,,,,0.0,0.0,,,,,
COc1ccc(NC(C)=O)cc1NC(=O)CN1CCN(C2c3ccccc3-c3ccccc32)CC1,CID3236988,,,0.0,,,,0.0,,0.0,,,,,,,0.0,0.0
COc1ccccc1NC(=O)CN1CCN(C2c3ccccc3-c3ccccc32)CC1,CID3238982,0.0,,0.0,,,0.0,,,,,,0.0,,,,,0.0
COc1ccc(NC(=O)CN2CCN(C3c4ccccc4-c4ccccc43)CC2)c(OC)c1,CID3240223,0.0,,,,,0.0,0.0,,,,,0.0,,,,,0.0
COc1cccc(CC(=O)Nn2c(C)nc3ccccc3c2=O)c1,CID3236989,,,0.0,0.0,0.0,,0.0,,0.0,,0.0,,0.0,,,,
Cc1nc2ccccc2c(=O)n1NC(=O)Cc1ccccc1,CID376414,,,,,,,,,,,0.0,,,,,,
Cc1nc2ccccc2c(=O)n1NC(=O)Cc1ccc(Br)cc1,CID2430051,,,,,,,,,0.0,,0.0,0.0,,,0.0,,
CCOC(=O)c1snc(C(=O)NC2CCCCC2)c1N,CID645199,,0.0,,0.0,0.0,,,,0.0,,,,,0.0,,0.0,
CC(C)(C)NC(=O)COC(=O)c1snc(C(=O)NC2CCCCC2)c1N,CID646580,,,,,0.0,,,,,0.0,,,0.0,,0.0,,
CC(OC(=O)c1snc(C(=O)NC2CCCCC2)c1N)C(=O)NC(C)(C)C,CID3219020,,,,,,,,,,0.0,,,,,,,
O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21)N1CCCC1,CID3236980,,,,0.0,0.0,,,,,,,,,,,,
Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)N3CCCC3)c2=O)cc1,CID3240471,0.0,0.0,0.0,,0.0,,,,,,,,,,,,
O=C(Cn1c(=O)n(-c2ccc(F)cc2)c(=O)c2sccc21)N1CCCC1,CID3236450,,,,,,,,,,,,,,,,,0.0
Cc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCCC1,CID1248997,,,,0.0,0.0,,,,,0.0,,0.0,,0.0,,0.0,
O=C(Nc1ccc2c(c1)OCO2)c1ccc(Br)c(S(=O)(=O)N2CCCC2)c1,CID2204429,0.0,,,,,,,,0.0,,0.0,,,,,,
O=C(Nc1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)N2CCCC2)c1,CID1528124,,,,,0.0,,,,,,,,0.0,0.0,,0.0,0.0
C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)O)cc2)S/C1=N/c1nccs1,CID1583062,,,,,,,,,,,,,,0.0,,,
C=CCN1C(=O)/C(=C/c2ccc(OC)cc2)S/C1=N/c1nccs1,CID1385702,,,,,,,,,,,,,,0.0,,,
C=CCN1C(=O)/C(=C/c2ccccc2)S/C1=N/c1nccs1,CID1583057,,,,,,,,,,,,,,,0.0,,
COc1ccc(NC(=O)COC(=O)c2ccncc2)c(OC)c1,CID2352008,,,,,,,,,,,,,,,0.0,,
CC(OC(=O)c1ccncc1)C(=O)Nc1cccc(Cl)c1,CID2998662,0.0,1.0,,1.0,,,0.0,,,0.0,,,0.0,,,,0.0
O=C(COC(=O)c1ccncc1)Nc1cccc(Cl)c1,CID2574917,,,,,,,,,,0.0,,,,,,,
NC(=O)c1sc2nc(N3CCCCC3)c3c(c2c1N)CCCC3,CID2893957,,,,,,,,0.0,,,,,,0.0,,0.0,
COC(=O)c1sc2nc(N3CCCCC3)c3c(c2c1N)CCCC3,CID915749,,,,,,,,,,,0.0,,,,,,
N#Cc1sc2nc(N3CCCCC3)c3c(c2c1N)CCCC3,CID703052,,,,,,,,,,,0.0,0.0,,,,,
Cc1cccc(S(=O)(=O)Nc2cccc(-c3cn4ccsc4n3)c2)c1,CID983284,0.0,0.0,,,0.0,,,,,,,,,0.0,0.0,,
Cc1ccc(S(=O)(=O)Nc2cccc(-c3cn4ccsc4n3)c2)cc1,CID1236382,0.0,,0.0,,0.0,,0.0,,0.0,0.0,,0.0,0.0,0.0,0.0,,
O=S(=O)(Nc1cccc(-c2cn3ccsc3n2)c1)c1ccc(F)cc1,CID983316,0.0,,,0.0,0.0,,0.0,,,0.0,0.0,,,,,,
O=C(Cn1nc(-c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c2ccccc2c1=O)N1CCCCC1,CID2942090,,,,,,,,,,,,0.0,,,0.0,,
CC(=O)Nc1cc(-c2nn(CC(=O)N3CCCCC3)c(=O)c3ccccc23)ccc1N1CCOCC1,CID2941837,,,0.0,,,,,,,,,,,,,,
CCC(=O)Nc1cc(-c2nn(CC(=O)N3CCCCC3)c(=O)c3ccccc23)ccc1N1CCOCC1,CID2941124,,,,,,,,,0.0,0.0,,0.0,,,,,
O=C1NC(Cc2c[nH]c3ccccc23)C(=O)N1CCOc1ccccc1,CID3000112,0.0,,,0.0,,,,,0.0,,,0.0,,,0.0,,
O=C1NC(Cc2c[nH]c3ccccc23)C(=O)N1CCOc1ccc(F)cc1,CID2998055,,0.0,,,,,0.0,0.0,,,,,,,,,
CCOc1ccc(OCCN2C(=O)NC(Cc3c[nH]c4ccccc34)C2=O)cc1,CID4279549,,,,,,,,,,,0.0,,,,,,
CCOC(=O)c1ccccc1NC(=O)Cn1cnc2c(oc3ccccc32)c1=O,CID3245851,,,,,,,0.0,0.0,,,0.0,,,,,,
Cc1ccccc1NC(=O)Cn1cnc2c(oc3ccccc32)c1=O,CID3236469,,,,,0.0,,,,0.0,,,,,,,,
COc1ccccc1NC(=O)Cn1cnc2c(oc3ccccc32)c1=O,CID3450400,,,0.0,,0.0,,,0.0,,,,,,,,,
COc1cccc(-c2[nH]nc3c2C(c2ccc(C)o2)C(C#N)=C(N)O3)c1,CID4979266,,,,,,,,,,,0.0,,,,,,
COc1ccc(OC)c(-c2[nH]nc3c2C(c2ccco2)C(C#N)=C(N)O3)c1,CID2946490,0.0,,,0.0,,,,,0.0,,,,,,,0.0,
Cc1ccc(C2C(C#N)=C(N)Oc3n[nH]c(-c4ccccc4)c32)o1,CID2908739,,,,,,,,,0.0,,0.0,,,,,,
CCC(=O)Oc1cccc(C(=O)Nc2ccc(-c3nnc(-c4ccco4)o3)cc2)c1,CID1331214,,,0.0,,,,,,,,,,0.0,,,,
COc1cc(C(=O)Nc2ccc(-c3nnc(-c4ccco4)o3)cc2)cc(OC)c1OC,CID1120379,,,,,,0.0,,,0.0,,,0.0,,,,,
COc1cccc(C(=O)Nc2ccc(-c3nnc(-c4ccco4)o3)cc2)c1,CID661009,0.0,,,,,,,,,,,0.0,,0.0,,,
O=C(CC(NS(=O)(=O)c1ccc(Cl)cc1)c1ccco1)N1CCc2ccccc21,CID4147745,,,,,,,,,,0.0,,,,0.0,,,
Cc1ccc(S(=O)(=O)NC(CC(=O)N2CCc3ccccc32)c2ccco2)cc1,CID3245771,0.0,,0.0,,0.0,,0.0,0.0,,,,,,,,0.0,
COc1ccc(S(=O)(=O)NC(CC(=O)N2CCc3ccccc32)c2ccco2)cc1,CID3243146,,,,,0.0,,,,,0.0,,,,,,,
O=c1oc2cc(OCc3nn[nH]n3)ccc2c2c1CCCC2,CID666672,,,0.0,,,,,,,,,,,,,,
Cc1c(OCc2nn[nH]n2)ccc2c3c(c(=O)oc12)CCCC3,CID666911,,,,,,,,0.0,,,0.0,,,,,,
Cc1c(OCc2nn[nH]n2)ccc2c3c(c(=O)oc12)CCC(C)C3,CID666829,,,0.0,,,0.0,,,,0.0,,,,,,,
O=C(NCCN1CCOCC1)C1CCC(=O)N1Cc1ccccc1Cl,CID3238737,0.0,,0.0,,,,,,,,,,,,,0.0,0.0
Cc1ccc(CN2C(=O)CCC2C(=O)NCCN2CCOCC2)cc1,CID3237287,,,,0.0,,,0.0,0.0,,,,,,,,,
O=C(NCCN1CCOCC1)C1CCC(=O)N1Cc1ccc(F)cc1,CID4069380,,,,,,,,,,,0.0,,,,,,
CCC(OC(=O)c1cc2sccc2n1C)C(=O)NCc1ccco1,CID647733,0.0,,,,0.0,,,0.0,,,0.0,,,,,,
CC(OC(=O)c1cc2sccc2n1C)C(=O)NCc1ccco1,CID656050,,,0.0,0.0,0.0,,0.0,,,,,,,,,,
Cn1c(C(=O)OCC(=O)NCc2ccco2)cc2sccc21,CID654576,,0.0,,0.0,0.0,,0.0,,,,,,0.0,,,0.0,
O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)NC1CCCc2ccccc21,CID5204024,,,,,,0.0,,,,,,,,,,,
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NC3CCCc4ccccc43)CC2)cc1,CID3000156,,,,,0.0,0.0,,,,,,,,,,,0.0
O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)NC1CCCc2ccccc21,CID2999379,,,0.0,,0.0,,,,,,,,0.0,,,,0.0
CCOC(=O)CSc1nc2ccccc2c(=O)n1CC1COc2ccccc2O1,CID3240424,,,,,0.0,0.0,,0.0,,0.0,,,,,,,
CCCCNC(=O)CSc1nc2ccccc2c(=O)n1CC1COc2ccccc2O1,CID3538174,,,,,,0.0,,,,,,,,,,,
CCCCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1CC1COc2ccccc2O1,CID4574105,,,,,,,,,,,,0.0,,,,,
c1ccc(-c2nnc(CSc3nnc(-c4cccs4)o3)o2)cc1,CID2084566,,0.0,0.0,0.0,0.0,,,,,,0.0,,0.0,,,,
Clc1ccc(-c2nnc(CSc3nnc(-c4cccs4)o3)o2)cc1,CID2487330,,,,,,,,,0.0,,,,,,,,
Fc1ccc(-c2nnc(CSc3nnc(-c4cccs4)o3)o2)cc1,CID2563873,,,,,,,,,,0.0,0.0,,,0.0,,,
O=C(c1ccccc1C(=O)N1CCN(c2ccccc2F)CC1)N1CCN(c2ccccc2F)CC1,CID2933370,,,,,,,,,,0.0,,,,,,,
O=C(c1ccccc1C(=O)N1CCN(c2ccccc2)CC1)N1CCN(c2ccccc2)CC1,CID2931507,,,,,,,0.0,,,,,0.0,,,,,
O=C(c1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1)N1CCN(c2ccc(F)cc2)CC1,CID2931634,,,,,,,,,0.0,,,,,,,,
CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)c(Cl)c2)cc1[N+](=O)[O-],CID1338433,,,,,,,,,,,,,,,0.0,,
COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(N2CCOCC2)c(Cl)c1,CID2203094,,,,,,,,,,,,,,,0.0,,
CCc1ccc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)cc2)cc1,CID978360,,,,,,,,,,,,,,0.0,,,
COCCCNc1nc2ccccc2nc1NS(=O)(=O)c1cccs1,CID663710,0.0,0.0,,,0.0,0.0,0.0,,,,0.0,,,,,,
CCCCNc1nc2ccccc2nc1NS(=O)(=O)c1cccs1,CID664661,0.0,0.0,0.0,0.0,0.0,0.0,0.0,,,,0.0,,,,,,
C=CCNc1nc2ccccc2nc1NS(=O)(=O)c1cccs1,CID664470,0.0,0.0,0.0,0.0,0.0,,0.0,,,,,,,,,,
Cc1c(NC(=O)COc2ccc3ccccc3c2)cccc1[N+](=O)[O-],CID675947,,,,,,0.0,,,,,,,,,,,
COc1cc(NC(=O)COc2ccc3ccccc3c2)cc(OC)c1,CID875159,,,,,,0.0,,,,,,,,,,,
COC(=O)c1ccc(NC(=O)COc2ccc3ccccc3c2)cc1,CID730575,,,,,,0.0,,,,,,,,,,,
CCCc1nn(-c2cc(Cl)ccc2OC)c2c1C(=O)CCC2,CID713301,,,,,,,,,,0.0,,,,0.0,,,
CCCc1nn(-c2cc(Cl)ccc2OC)c2c1C(=O)CC(C)(C)C2,CID713295,,,,,,,,,0.0,0.0,,,,,,,
CCc1nn(-c2cc(Cl)ccc2OC)c2c1C(=O)CCC2,CID713289,,,,,,,0.0,,,0.0,,,,0.0,,,0.0
COc1ccc(N2CC(C(=O)Nc3ccccc3C(=O)NCc3ccco3)CC2=O)cc1,CID650807,,,,,,,,,0.0,,,0.0,,,,,
O=C(NCc1ccco1)c1ccccc1NC(=O)C1CC(=O)N(c2ccc(Cl)cc2)C1,CID2955233,0.0,,,,,,,,,,,,0.0,,,0.0,0.0
CCCOc1ccc(N2CC(C(=O)Nc3ccccc3C(=O)NCc3ccco3)CC2=O)cc1,CID2957405,0.0,,0.0,,,,0.0,0.0,0.0,,0.0,,0.0,,,,
Cc1cc(N2CCOCC2)n2nc(-c3cccc(F)c3)cc2n1,CID649462,,0.0,,0.0,,,,,,,,,,,,,
Cc1nc2cc(-c3cccc(F)c3)nn2c(N2CCOCC2)c1C,CID648803,,0.0,,0.0,,,,0.0,,,,,,,,,
Cc1nc2cc(-c3ccc(F)cc3)nn2c(N2CCOCC2)c1C,CID655775,,0.0,,0.0,,0.0,,0.0,,,,,,,,,
COc1ccccc1NC(=O)C1=C(C)N=C2N=CNN2C1c1ccc(C)o1,CID5390003,,,0.0,,,,0.0,0.0,,,,,,,,0.0,
CC1=C(C(=O)Nc2ccccc2)C(c2ccco2)N2NC=NC2=N1,CID5711569,,,0.0,0.0,,,,,,,,,0.0,,,,
CC1=C(C(=O)Nc2ccccc2)C(c2ccc(C)o2)N2NC=NC2=N1,CID5390078,,,,,,,,,,0.0,,,0.0,,,,
Cc1cc(OC(=O)c2ccco2)c2c(C)cc(=O)oc2c1,CID1249798,,,,,,,,,0.0,0.0,,,,0.0,0.0,,
CCc1cc(=O)oc2cc(C)cc(OC(=O)c3ccco3)c12,CID1121645,,,,,,,0.0,,0.0,,0.0,,,,0.0,0.0,
CCCc1cc(=O)oc2cc(C)cc(OC(=O)c3ccco3)c12,CID807111,,,,,,,,,0.0,,,,,0.0,,,
O=C(O)c1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccccc4Cl)no3)CC2)cc1,CID647484,,,,,0.0,,0.0,,,,,0.0,0.0,,,,
CN(C)c1ccc(-c2noc(C3CCN(S(=O)(=O)c4ccc(C(=O)O)cc4)CC3)n2)cc1,CID649272,,,0.0,,,,,,,,,,0.0,,,0.0,0.0
CN(C)c1ccc(-c2noc(C3CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)n2)cc1,CID651592,,,,,0.0,,,,,,,,,,,,
CCn1cnc2c1c(=O)n(CC(=O)Nc1cc(C)on1)c(=O)n2Cc1ccccc1,CID2999675,,0.0,0.0,,,,,,,0.0,,,,,,,
Cc1cc(NC(=O)Cn2c(=O)c3c(ncn3CCC(C)C)n(Cc3ccccc3)c2=O)no1,CID2998205,0.0,,,,,,,,,,,0.0,,,,,
Cc1cc(NC(=O)Cn2c(=O)c3c(ncn3CC(C)C)n(Cc3ccccc3)c2=O)no1,CID2997651,0.0,,,0.0,,,,,,0.0,,,,0.0,,,
CCCc1cc(=O)nc(SCC(=O)N(CC(C)C)C2CCS(=O)(=O)C2)[nH]1,CID2999674,,0.0,,,0.0,,0.0,,,0.0,,,,,,,
CCCc1cc(=O)nc(SCC(=O)N(CC)C2CCS(=O)(=O)C2)[nH]1,CID3929146,,,,,,,,,,,,,,0.0,,,
CCCc1cc(=O)nc(SCC(=O)N(C)C2CCS(=O)(=O)C2)[nH]1,CID2997670,,,,0.0,0.0,0.0,0.0,,,,,,,,,,
COc1ccc(C2C(C(=O)NCc3ccccc3)=C(C)N=C3N=CNN32)cc1OC,CID5390006,,,,,,,,0.0,,,0.0,,,,,,
COc1cccc(C2C(C(=O)NCc3ccccc3)=C(C)N=C3N=CNN32)c1,CID5390067,,0.0,0.0,,,,,,,,,,,,,,
COc1ccccc1C1C(C(=O)NCc2ccccc2)=C(C)N=C2N=CNN21,CID5390079,,,0.0,,,,,,,,,,,,,,
S=c1[nH]nc(-c2ccco2)n1/N=C/c1cccs1,CID668575,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccc(/C=N/n2c(-c3ccco3)n[nH]c2=S)s1,CID668578,,,,,,,,,,,,,,0.0,,,
O=C(NCCc1ccc(Cl)cc1)C1CCC(=O)N1Cc1ccccc1Cl,CID4573991,,,,,,,,,,,,,,,0.0,,
Cc1cccc(CCNC(=O)C2CCC(=O)N2Cc2ccc(F)cc2)c1,CID4145042,,,,,,0.0,,,,,,,,,,,
CCn1c(CCNC(=O)c2ccc(C)cc2)n[nH]c1=S,CID852655,,,,,,,,,,,,,,0.0,,,
Cn1c(CCNC(=O)c2ccc(Cl)cc2)n[nH]c1=S,CID852652,,,,,,,,,,,,,,,0.0,,
CNC(=S)NC1CC2CCCC(C1)N2Cc1ccco1,CID3218155,,,,,,,,,,,,0.0,,,,,
COCCNC(=S)NC1CC2CCCC(C1)N2Cc1ccco1,CID3218158,,,,,,0.0,,,,,,,,,,,
CCCc1cc(=O)oc2cc(C)c3c(C)coc3c12,CID707841,,,0.0,,,,,0.0,0.0,,0.0,,0.0,,,0.0,
CCc1cc(=O)oc2cc(C)c3c(C)coc3c12,CID707842,,,,,,,,,0.0,,0.0,,,0.0,,,
Cn1cnc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c1,CID3239000,0.0,0.0,,,0.0,,,0.0,,,,,,,,,
Cc1ccc(NS(=O)(=O)c2cn(C)cn2)cc1,CID3243801,,0.0,,,,,,,,,,,,,,,
O=c1nc(-c2ccccc2)n(-c2ccccc2)[nH]1,CID851777,,,,,,,,,,,,,,,0.0,,
O=c1nc(-c2ccccc2)n(-c2ccc(Cl)cc2)[nH]1,CID851776,,,,,,,,,,,,,,,0.0,,
Cc1cc(=O)n(C(NC(=O)c2ccccc2)C(=O)c2ccccc2)cn1,CID2802825,,,,,,,,,,,,0.0,,,,,
O=C(NC(C(=O)c1ccccc1)n1cnccc1=O)c1ccccc1,CID2802820,,,,,0.0,,,,,,,,,,,,0.0
CC(C)Cn1c(CN2C(=O)c3ccccc3C2=O)nc2ccccc2c1=O,CID1042830,,,,,,,,,,0.0,,,,,,,
CCCCn1c(CN2C(=O)c3ccccc3C2=O)nc2ccccc2c1=O,CID1926759,,,0.0,,,,,0.0,,,,,0.0,,,,
CC(=O)c1ccc(NC(=O)/C(=C\c2ccccc2)NC(=O)/C=C/c2ccccc2)cc1,CID5506186,,,,,,0.0,,,,,,0.0,,,,,
O=C(/C=C/c1ccccc1)N/C(=C/c1ccccc1)C(=O)Nc1ccccc1O,CID2294537,,,,,,,,,,,,,,,0.0,,
Cc1cccc(-n2ncc3c(N4CCOCC4)ncnc32)c1,CID819343,,,1.0,,,,,0.0,,,,,,,,,
CC1CN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)CC(C)O1,CID2940041,0.0,0.0,,,,,,,,,,,,,,,
COc1ccc(-c2nc(CCNC(=O)c3ccco3)cs2)cc1OC,CID5310066,,,0.0,,,,,,,,,,,,,,
COc1ccc(-c2nc(CCNC(=O)c3ccc(Br)o3)cs2)cc1,CID7119208,,,,,,,,,,,,0.0,,,,,
COc1ccc(CNc2oc(C)nc2C#N)cc1,CID696148,,,,0.0,,,,,,,,0.0,,,,,
Cc1ccc(CNc2oc(C)nc2C#N)cc1,CID696146,,,,,,0.0,,,0.0,,0.0,0.0,,,,,
COC(=O)c1cc2sccc2n1Cc1nc(-c2ccc(OC)cc2)oc1C,CID3244174,0.0,,0.0,,,0.0,,0.0,,,,,0.0,,,,
COC(=O)c1cc2sc(Cl)cc2n1Cc1nc(-c2ccccc2)oc1C,CID9551339,,,,,,0.0,,,,,,,,,,,
c1nc2sc3c(c2c2nnnn12)CCCC3,CID696849,,,,0.0,,,,,,,,,,,,,
CSc1nc2sc3c(c2c2nnnn12)CCCC3,CID619350,,,,0.0,,,0.0,,,0.0,,,,,,,
O=C(COC(=O)c1ccco1)Nc1ccc2c(c1)OCO2,CID1090014,,,,0.0,0.0,,,,,0.0,,,,0.0,,,
Cc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)o1,CID2550997,,,0.0,,0.0,,,0.0,,,,,,0.0,,0.0,
Cc1c(NC(=O)Nc2ccccc2Cl)sc(=S)n1C,CID745665,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC(=O)Nc2sc(=S)n(C)c2C)cc1,CID753598,,,,,,,,,0.0,0.0,,,,,,,
O=C(c1ccc(COc2ccccc2[N+](=O)[O-])o1)N1CCCCC1,CID844782,,,,,,,,,,,,,,,0.0,,
CC1CCN(C(=O)c2ccc(COc3ccccc3Cl)o2)CC1,CID3243500,,,,,,,0.0,,,,,,0.0,,,0.0,
Nc1nc(-c2cccnc2)nn1C(=O)Cc1ccccc1,CID971620,0.0,0.0,,0.0,,,,,,,0.0,,,,,,
COc1ccc(CC(=O)n2nc(-c3cccnc3)nc2N)cc1,CID970094,0.0,0.0,,,,,0.0,0.0,,,,,,,,,
O=C(Nc1ccccc1)C1CC=CCC1C(=O)OCC1CCCO1,CID2832666,,,,,,,,,,0.0,,,0.0,,,,0.0
O=C(Nc1ccc(Br)cc1)C1CC=CCC1C(=O)OCC1CCCO1,CID2832668,,,,,,,,,,,0.0,,,,,,
O=S(=O)(Nc1cccc2ncccc12)c1cccs1,CID2082094,,0.0,,,,,0.0,,,,,,0.0,0.0,,,
Cc1ccc(S(=O)(=O)Nc2cccc3ncccc23)s1,CID2082098,0.0,,,,,0.0,,,,,,,,,,,
c1ccc(Cn2nnnc2C(c2cccs2)N2CCSCC2)cc1,CID647953,0.0,,,,0.0,,,,,0.0,,,,,,,
COc1ccc(Cn2nnnc2C(c2cccs2)N2CCSCC2)cc1,CID651340,,,0.0,0.0,0.0,0.0,,,0.0,0.0,,,,,,,
Cc1onc(-c2ccccc2)c1C(=O)Nc1cccnc1,CID655003,,0.0,,0.0,,0.0,,0.0,,,,,,,0.0,,
Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccnc1,CID700631,0.0,0.0,0.0,,,,,,,0.0,,,,0.0,,0.0,0.0
CC(Sc1nc(=O)cc(N)[nH]1)C(=O)NC1CCCCC1,CID2946901,,,,,,,,0.0,,,,,,,,,0.0
CCCc1cc(=O)nc(SCC(=O)NC2CCCCC2)[nH]1,CID715640,,,,,0.0,,,,,,,,,0.0,,0.0,
O=C(CCc1nnc(CCC2CCCCC2)o1)NCCn1cccn1,CID16187791,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)n(CCN(C)C(=O)CCc2nnc(CCC3CCCCC3)o2)n1,CID16192214,,,,,,,,,,,,,,,0.0,,
Cc1nc2c(-c3ccccc3)c(C)nn2c(C)c1CCC(=O)N1CCOCC1,CID3245227,0.0,0.0,,0.0,,,,,,0.0,0.0,,,,,,
Cc1nc2c(-c3ccc(F)cc3)c(C)nn2c(C)c1CCC(=O)N1CCOCC1,CID9550747,,,,,,0.0,,,,,,,,,,,
CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)ccc1F,CID2116724,,,,,,,,,,0.0,,,,,,,
CN(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)c1,CID2367143,,,,,,,,,,,,0.0,,,,,
Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)NCc3ccco3)c2n1,CID2381362,,,,,,,,,,,,,,,0.0,,
Cc1ccc2cccc(OCC(=O)NCc3ccco3)c2n1,CID2560947,,,0.0,,0.0,,0.0,0.0,,,,,0.0,,,,
Cc1ccccc1C(=O)NC=C1C(=O)OC(C)(C)OC1=O,CID1471216,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)NC=C2C(=O)OC(C)(C)OC2=O)cc1,CID1471327,,,,,,,,,,,,,,,0.0,,
COc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCc4ccccc4C3)o2)cc1,CID5309511,,,,,,,,,,,,,0.0,,,,
Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCc4ccccc4C3)o2)cc1,CID6619504,,,,,,,,,,1.0,0.0,,,,,,
CC(C)(C)C(=O)C1C2C(=O)N(C3CCCCC3)C(=O)C2C2c3ccccc3C=CN12,CID7472344,,,,,,,,,,0.0,,0.0,,,,,
CC(=O)C1C2C(=O)N(C3CCCCC3)C(=O)C2C2c3ccccc3C=CN12,CID9551678,,,,,,,,,0.0,,,,,,0.0,,
Cc1cc2nc(C3CCCN(C(=O)NCc4ccccc4)C3)[nH]c2cc1C,CID3223931,,,,,,0.0,,,,,0.0,,,,,,
Cc1ccc2nc(C3CCCN(C(=O)NCc4ccccc4)C3)[nH]c2c1,CID654444,,0.0,0.0,,,0.0,,,,,0.0,0.0,0.0,,,0.0,
Cc1ccc(C(=O)Nc2cc(Cl)ccc2OC(=O)c2ccc(C)cc2)cc1,CID1034763,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(=O)Nc2cc(Cl)ccc2OC(=O)c2ccc(OC)cc2)cc1,CID1020005,,,,,,,,,,,,,,,0.0,,
COc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccco3)SC2=S)cc1,CID1620327,,,,,,,,,,,,,,0.0,,,
O=C(CCCN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1ccccc1,CID1612558,,,,,,,,,,,,,,0.0,0.0,,
Fc1ccc(CSc2nnc(CN3CCOCC3)n2-c2ccccc2)c(Cl)c1,CID1009405,,,,,,,,,,,,0.0,,,,,
Fc1cccc(Cl)c1CSc1nnc(CN2CCOCC2)n1-c1ccccc1,CID1009406,,,,,,0.0,,,,,,,,,,,
CC1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)c2nccn2C)c1,CID2998802,,0.0,,,,,,0.0,,,,,0.0,,0.0,,
CCCCn1ccnc1C(=O)c1cccc(S(=O)(=O)N2c3ccccc3CC2C)c1,CID2999733,,,0.0,,0.0,,,0.0,,0.0,,,,,,0.0,
COc1cc2nc(C3CCC3)n(NC(=O)C3CCC3)c(=O)c2cc1OC,CID1457965,,,,,,0.0,,,0.0,0.0,0.0,0.0,,,,,
O=C(Nn1c(C2CCC2)nc2ccccc2c1=O)C1CCC1,CID651584,,0.0,,,,,,,,,0.0,,0.0,,,,
COc1ccccc1CNC(=O)c1ccc2c(=O)n(CCCN3CCCC3=O)c(=S)[nH]c2c1,CID4300933,,,,,,,,,,,,,,0.0,,,
COc1ccc(CNC(=O)c2ccc3c(=O)n(CCCN4CCCC4=O)c(=S)[nH]c3c2)cc1,CID2939176,,,,,,,,,,,,,,,0.0,,
Cc1ccc(N(CC(=O)NCCSCc2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1,CID2287770,,,,,,0.0,,,,,,,,,,,
Cc1cccc(N(CC(=O)NCCSCc2ccco2)S(=O)(=O)c2ccccc2)c1,CID2286843,,,,,,0.0,,,,,,,,,,,
C/C(=N\NC(=O)c1ccccc1)c1ccc(NC(=O)c2cccs2)cc1,CID4069311,,,,,,,,,,,,,,0.0,,,
C/C(=N\NC(=O)c1ccccc1C)c1ccc(NC(=O)c2cccs2)cc1,CID1358686,,,,,,0.0,,,,,,,,,,,
Cc1ccc(SCC(=O)c2sc(-c3ccccc3)nc2C)cc1,CID1477665,,,,,,,,,,,,0.0,,,,,
Cc1nc(-c2ccccc2)sc1C(=O)CSc1ccc(Cl)cc1,CID1477664,,,,,,,,,,,,,,0.0,0.0,,
O=C1Nc2ccccc2C1(O)Cc1ccncc1,CID2727851,,,,0.0,,,0.0,0.0,0.0,,,0.0,,,0.0,,0.0
O=C1Nc2ccc(Br)cc2C1(O)Cc1ccncc1,CID2727852,0.0,,,,,,,,0.0,,0.0,0.0,,,,,0.0
O=C(c1ccccc1)C1CCc2occc2C1=O,CID2950624,,,,,,,,,0.0,,,,,,,,
O=C(c1ccc(Br)cc1)C1CCc2occc2C1=O,CID662665,0.0,,,,,,,,,,,0.0,,,,,0.0
Cc1oc(C(=O)O)cc1COc1ccc2c(C)cc(=O)oc2c1,CID2055782,,,,,,,,0.0,0.0,,,0.0,0.0,,0.0,,
COC(=O)c1cc(COc2ccc3ccc(=O)oc3c2)c(C)o1,CID705661,,,0.0,,,,,,0.0,,,,,,,0.0,
COc1ccc(NC(=S)NC2CCN(Cc3ccccc3)CC2)cc1OC,CID2209589,,,,,,,,,,,,,,0.0,,,
CC(C)c1ccc(NC(=S)NC2CCN(Cc3ccccc3)CC2)cc1,CID2487256,,,,,,,,,,,,,,0.0,,,
COc1cccc(NC(=O)NC2CCN(Cc3nnnn3Cc3ccc(F)cc3)CC2)c1,CID645133,,,,,,,,,,,0.0,,,,,,
O=C(Nc1ccccc1F)NC1CCN(Cc2nnnn2Cc2ccc(F)cc2)CC1,CID651222,0.0,,,,,,,,,,,,,,,,
Nc1ccc(N(c2ccccc2)c2ccc(N)cc2)cc1,CID199391,,,,,,,,,0.0,,0.0,0.0,,,,,
O=C(O)c1ccc(N(c2ccccc2)c2ccccc2)cc1,CID826220,,,,,,,,,0.0,,,,,,,,
Cn1c(CSCc2ccccc2Cl)n[nH]c1=S,CID804934,,,,,,,,,,,,,,,0.0,,
CCn1c(CSCc2ccc(Cl)cc2)n[nH]c1=S,CID2764242,,,,,,,,,,,,,,,0.0,,
Cc1ccc(/N=C2\SCCCN2C(=O)c2ccco2)cc1Cl,CID2088468,,0.0,0.0,,0.0,,,,,0.0,,,,,,,
O=C(c1ccco1)N1CCCS/C1=N\c1ccccc1,CID2109139,0.0,,0.0,0.0,0.0,0.0,,0.0,0.0,,,,,,,,
COc1ccccc1N1CCN(C(=O)c2cc(-c3ccco3)on2)CC1,CID5309768,0.0,0.0,0.0,,,,,0.0,,,,,,,,,
O=C(c1cc(-c2ccco2)on1)N1CCN(c2ccccc2)CC1,CID5309785,0.0,,,0.0,,,,0.0,,0.0,,,0.0,,,,
COc1cc(/C=c2\sc3nc(-c4ccncc4)nn3c2=O)ccc1OC(C)=O,CID3239822,,0.0,,,,,,,,,0.0,,,,,0.0,
COc1ccccc1/C=c1\sc2nc(-c3ccncc3)nn2c1=O,CID3242234,0.0,,,,,,0.0,,,,0.0,,0.0,,,0.0,
Cn1nccc1/C=N/NC(=O)c1cc([N+](=O)[O-])nn1Cc1ccccc1,CID1227774,,,,,,,,,,0.0,,,,0.0,,,
Cn1nccc1/C=N/NC(=O)c1cc([N+](=O)[O-])nn1Cc1ccc(Cl)cc1,CID1227770,,,,,,,,,,,,,,,0.0,,
COc1ccc(S(=O)(=O)N(CCCN2CCOCC2)Cc2ccc(OC)c(OC)c2)cc1,CID665446,,,,0.0,0.0,,,,,,0.0,,0.0,,,0.0,
COc1ccc(OC)c(CN(CCCN2CCOCC2)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1,CID665871,,,,,0.0,0.0,,,,,0.0,,0.0,,,,0.0
CC1CC(NC(=O)c2cnc3n(c2=O)CCS3)CC(C)(C)C1,CID4085155,0.0,0.0,,,,,0.0,,,,,,0.0,,,,
CN(C(=O)c1cnc2n(c1=O)CCS2)C1CCCCC1,CID5165321,,,,,,,,0.0,,,,,,,,0.0,
COc1ccc(N2CCN(C(=O)c3ccc(OCc4c(C)noc4C)c(OC)c3)CC2)cc1,CID2569635,,,,,,,,,0.0,,,,,,,,
CC(=O)c1ccc(N2CCN(C(=O)c3ccc(OCc4c(C)noc4C)cc3)CC2)cc1,CID2524389,0.0,,,,0.0,0.0,0.0,0.0,0.0,0.0,,,,,,,
O=C(Nc1ccc2c(c1)OCCO2)c1cccnc1,CID675178,,,,0.0,,,,,,0.0,,,,,,,
O=C(Nc1ccc2c(c1)OCCO2)c1cncc(Br)c1,CID728102,,,,,,,,,0.0,,0.0,0.0,,,,0.0,0.0
COc1ccc(OC)c(NC(=O)Cn2c(-c3ccc(Cl)cc3)noc2=O)c1,CID645957,,,,0.0,,,,,,,,,,,,,0.0
CN(C)S(=O)(=O)c1ccc(NC(=O)Cn2c(-c3ccccc3)noc2=O)cc1,CID1435006,,,,,,,,,0.0,,,,,0.0,,,
N#CCSc1nc2cc(C(=O)N3CCCC3)ccc2c(=O)n1Cc1ccccc1,CID3237813,0.0,,0.0,,,0.0,,,,,,,0.0,,,,
CCOC(=O)CSc1nc2cc(C(=O)N3CCCC3)ccc2c(=O)n1Cc1ccccc1,CID9551040,,,,,,,,,,0.0,,,,,,,
Cc1cc2nc(C)n(CCCNC(=O)Nc3ccc(C#N)cc3)c2cc1C,CID3237816,,,0.0,,,0.0,,,,,,,,,,,
Cc1cc2nc(C)n(CCCNC(=O)Nc3ccc(F)cc3)c2cc1C,CID9550570,,,,,,,,,,,0.0,,,,,,
Cn1c(=O)c2nc(Cl)c(-c3ccccc3)nc2n(C)c1=O,CID822215,,,,,,,,,,,,,,,0.0,,
O=c1[nH]c(=O)c2ncc(-c3ccc(Cl)cc3)nc2[nH]1,CID5409706,,,,,,,,,,,,,,0.0,,,
COC(=O)CN1C2(C#N)CCCCC2CC2CCCCC21C#N,CID657648,,,,,,,,,,0.0,,,,,,,
N#CC12CCCCC1CC1CCCCC1(C#N)N2CCO,CID657607,0.0,,,,,,0.0,,,0.0,,,,,,,
COc1ccc(N2CC(C(=O)Nc3cc(C)on3)CC2=O)cc1,CID2974405,,,,,,0.0,,,,,,0.0,,,,,
Cc1ccc(N2CC(C(=O)Nc3cc(C)on3)CC2=O)cc1,CID2963163,,,,,,0.0,,,,,,0.0,,,,,
CCOC(=O)N/N=C/c1ccc(N2CCOCC2)s1,CID2391625,,,,,,,,,,,,,,0.0,,,
CNC(=S)N/N=C/c1ccc(N2CCOCC2)s1,CID2391673,,,,,,,,,,,,,,,0.0,,
Cc1cc(NC(=O)CCC(=O)N(c2cccnc2)C(C(=O)NC2CCCC2)c2ccccc2)no1,CID652444,,0.0,0.0,,,,0.0,,,0.0,0.0,,,,,,
Cc1cc(NC(=O)CCC(=O)N(c2cccnc2)C(C(=O)NC2CCCC2)c2ccccc2F)no1,CID653454,,,,,,,0.0,,0.0,,,,,,,,
COc1ccc(NC(=O)C2CCCN(c3c4c(nc5ncnn35)CCC4)C2)cc1OC,CID652441,,,,,,0.0,,,,,,,0.0,,,,
COc1ccc(NC(=O)C2CCCN(c3c4c(nc5ncnn35)CCC4)C2)cc1,CID649637,,0.0,,,,,,,,,,,,,,,
O=C(COc1ccccc1)Nc1ccc2c(c1)nc1n2CCSC1,CID666223,0.0,,,0.0,0.0,0.0,0.0,,,,0.0,0.0,,,,,0.0
COc1ccc(OCC(=O)Nc2ccc3c(c2)nc2n3CCSC2)cc1,CID666415,0.0,0.0,0.0,,0.0,0.0,,,,,,,,,,0.0,
Nc1cc(=O)nc(SCc2nc3ccccc3n2Cc2ccccc2)[nH]1,CID1140730,,,,,,,,,,0.0,0.0,,,,,0.0,
Cc1cc(=O)nc(SCc2nc3ccccc3n2Cc2ccccc2)[nH]1,CID1105871,0.0,0.0,0.0,,0.0,0.0,0.0,0.0,,,,,,,,,
O=C(C1CCC(CNc2c(N3CCCCC3)c(=O)c2=O)CC1)N1CCCCC1,CID5308700,0.0,,,,,0.0,,,,,,,,,,,
CC1CCN(c2c(NCC3CCC(C(=O)N4CCCC(C)C4)CC3)c(=O)c2=O)CC1,CID9551272,,,,,,0.0,,,,,,,,,,,
O=C(OCCNC1=NS(=O)(=O)c2ccccc21)c1ccccc1,CID2202906,,,,,,,,,0.0,0.0,,,,,,,
COc1ccc(C(=O)OCCNC2=NS(=O)(=O)c3ccccc32)cc1OC,CID3238904,,,0.0,,,,0.0,0.0,,0.0,,,,,,,
CNC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1,CID4075803,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C,CID2349173,,,,,0.0,,0.0,,,,,,0.0,,,,
FC(F)(F)c1nnc2sc(-c3ccco3)nn12,CID667007,0.0,,,,0.0,,,,,,,,,,,,
Cc1nnc2sc(-c3ccco3)nn12,CID850450,,0.0,,0.0,,,,,,0.0,,0.0,,,,,0.0
N#CC1=C(N2CCCCC2)c2cc3c(n2C1=O)CCCC3,CID1263570,,,,,,0.0,,,,,,0.0,,,,,
CCOC(=O)C1=C(N2CCCCC2)c2cc3c(n2C1=O)CCCC3,CID1263574,,,,,0.0,,,,0.0,,,,0.0,,,,0.0
Cc1ccc(CS(=O)(=O)c2ccccc2-c2nnc(-c3ccc(Cl)cc3)o2)cc1,CID1486739,,,,,,,,,,,,0.0,,,0.0,,
Cc1ccc(-c2nnc(-c3ccccc3S(=O)(=O)Cc3ccc(Cl)cc3)o2)cc1,CID1486734,,,,,,,,,,,,,,0.0,,,
COC(=O)c1cn(NC(=O)C2CCC(C(C)(C)C)CC2)c(=O)c2ccccc12,CID5070248,,,,,,0.0,,,,,,,,,,,
COC(=O)c1cn(NC(=O)C2CCCCC2)c(=O)c2ccccc12,CID3243768,,,,,,,,,0.0,,,,,,,0.0,0.0
COc1ccccc1NC(=O)CSc1nnc(C)n1CC1CCCO1,CID3168423,,,,,,,,,0.0,,,,,,,,
CCOc1ccc(NC(=O)CSc2nnc(C)n2CC2CCCO2)cc1,CID3144240,,,,,,,,,,,0.0,,,,,,
Cc1cccc(NC(=O)C2CCCN(C(=O)NC3CCCCC3)C2)c1C,CID650315,,,,,,0.0,,0.0,,,,,,,,,0.0
COc1ccc(NC(=O)C2CCCN(C(=O)NC3CCCCC3)C2)cc1OC,CID647386,0.0,,0.0,,,,0.0,,,,,,,,,,0.0
C=CCn1c(C)cc(C(=O)CSc2nnc(NCc3ccccc3)s2)c1C,CID2084585,0.0,0.0,0.0,,0.0,,,,0.0,0.0,0.0,,,,0.0,,
Cc1cc(C(=O)CSc2nnc(NCc3ccccc3)s2)c(C)n1C,CID2080570,0.0,,,,0.0,,0.0,,0.0,0.0,0.0,,0.0,,,,
O=C(NC(=S)Nc1ccccn1)c1ccc([N+](=O)[O-])cc1,CID837855,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(C(=O)NC(=S)Nc2ccccn2)cc1[N+](=O)[O-],CID883217,,,,,,,,,,,,0.0,,,,,
CC(C)OC(=O)c1cc2c(ccn2C)n1CC(=O)N1CCC(Cc2ccccc2)CC1,CID1450735,,,,,,0.0,,,,,,0.0,,,,,
CCOC(=O)c1cc2c(ccn2C)n1CC(=O)N1CCC(Cc2ccccc2)CC1,CID651846,0.0,,,,0.0,,,,,,,,,,,,
Cc1nc(-c2ccccc2)sc1C(=O)/C=C/c1ccccc1,CID5707211,,,,,,0.0,,,,,,,,,,,
COc1ccc(/C=C/C(=O)c2sc(-c3ccc(Cl)cc3)nc2C)cc1,CID5707725,,,,,,0.0,,,,,,,,,,,
COC(=O)c1ccc2[nH]c(C)c(CN3CCCC3)c(=O)c2c1,CID647468,,,,,,,0.0,,0.0,,,,0.0,,,,
Cc1[nH]c2c(Cl)cccc2c(=O)c1CN1CCCC1,CID728862,,0.0,,,,,0.0,,,,,,,,,0.0,
O=C1CCCC2=C1C(c1ccncc1)Nc1ccccc1N2,CID302307,,,,,,0.0,,,,,,,,,,,
COC(=O)c1ccc2c(c1)NC1=C(C(=O)CC(C)(C)C1)C(c1ccncc1)N2,CID3244998,,,,,0.0,,,,,,,,,,,0.0,
CC12CCC(C(=O)Nc3nccs3)(OC1=O)C2(C)C,CID2941738,,,,,,0.0,,,,,,,,,,,
Cc1nc(NC(=O)C23CCC(C)(C(=O)O2)C3(C)C)sc1C,CID2984512,,,,0.0,,,,,,,,,,,,,
Cc1cc2c(=O)n(Cc3ccco3)c(SCC(=O)c3ccc(Cl)s3)nc2s1,CID1248129,,,,,0.0,,,,0.0,,,,,0.0,,,
Cc1sc2nc(SCC(=O)c3cccs3)n(Cc3ccco3)c(=O)c2c1C,CID2226503,,,,,0.0,,,,0.0,,,,,0.0,,,
Cc1ccc(Nc2nc(=O)c3c([nH]2)CCCC3)cc1,CID939398,,,,,,,,,,,,0.0,,,,,
CCOc1ccc(Nc2nc(=O)c3c([nH]2)CCCC3)cc1,CID945317,,0.0,,0.0,,,0.0,,,,,0.0,0.0,,,,
Cc1nc(NC(=O)c2ccc3c(c2)OCO3)ccc1Br,CID959471,,,,,,,,,,,,,,,0.0,,
COC(=O)CCN(C(=O)c1ccc2c(c1)OCO2)c1ccccn1,CID2947688,,,0.0,,,,,,,,,,,,,,
CCOC(=O)c1c2n(c3ccc(OC(C)=O)cc13)CCC2,CID780036,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1c2n(c3ccc(O)cc13)CCC2,CID646487,,,,,,,,,,,,,,,,0.0,
O=C1CNCc2[nH]c3ccccc3c2N1c1ccccc1,CID751934,0.0,,,,,,,0.0,,,,,,,,0.0,
O=CN1CC(=O)N(c2ccccc2)c2c([nH]c3ccccc23)C1,CID755061,0.0,,0.0,0.0,,0.0,,,0.0,,,,0.0,0.0,,0.0,
CC(C)n1cnc2cc(NCc3nc4ccccc4n3C)ccc21,CID667393,,,,0.0,,,,,,,,,,,,,
CCn1cnc2cc(NCc3nc4ccccc4n3C)ccc21,CID1253265,,,,,,,,0.0,,,,0.0,,,0.0,,
CC(=O)Nc1ccc(S(=O)(=O)N2CCN=C2SCc2cccnc2)cc1,CID2148817,,,,,,,,,,,,,,0.0,,,
O=S(=O)(c1ccccc1)N1CCN=C1SCc1cccnc1,CID2148802,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C(=O)COc2ccccc2C(=O)Nc2ccccc2)cc1,CID1218686,,,,,,,,,,,,,,,0.0,,
O=C(COc1ccccc1C(=O)Nc1ccccc1)c1ccc(Br)cc1,CID1218685,,,,,,,,,,,,,,,0.0,,
Cc1ccc(-c2nnn(CC(=O)NC3CCCc4ccccc43)n2)cc1,CID3153106,,,,,,,,,,,,0.0,,,,,
COc1ccc(-c2nnn(CC(=O)NC3CCCc4ccccc43)n2)cc1OC,CID2997688,,,0.0,,,0.0,,,,,,0.0,0.0,,,0.0,
Cc1cccc(NC(=O)NNS(=O)(=O)c2ccc(F)cc2)c1,CID841271,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC(=O)NNS(=O)(=O)c2ccc(Br)cc2)cc1,CID1014636,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccc(CSc2nc3cc(Cl)ccc3s2)o1,CID2542670,,,,,,0.0,,,,,,,,0.0,0.0,,
COC(=O)c1ccc(CSc2nc3ccccc3s2)o1,CID673661,,,0.0,,,,0.0,,,,,0.0,,,0.0,,
COc1ccc(-c2cc(N)n(S(=O)(=O)Cc3ccccc3)n2)c(OC)c1,CID5307700,0.0,,,,,,,,,,,,0.0,,,0.0,
COc1cc(OC)cc(-c2cc(N)n(S(=O)(=O)Cc3ccccc3)n2)c1,CID9550219,,,,,,0.0,,,,0.0,,,,,,,
O=C(C1CCC(CNc2c(N3CCCCC3)c(=O)c2=O)CC1)N1CCc2ccccc2C1,CID5309736,0.0,,,0.0,,,0.0,0.0,,,,,0.0,,,,
CC1CCN(c2c(NCC3CCC(C(=O)N4CCc5ccccc5C4)CC3)c(=O)c2=O)CC1,CID9550156,,,,,,0.0,,,,,,,,,,,
O=C1NC(=O)C(Nc2cccc3ccccc23)S1,CID3155755,,,,,,,,,,0.0,,0.0,,,,,
CN1C(=O)SC(Nc2cccc3ccccc23)C1=O,CID3155783,,,,,,,,,,,,0.0,,,,,
COc1cccc(-c2nc(CS(=O)(=O)CC(=O)NCCCN3CCc4ccccc4C3)c(C)o2)c1,CID3243297,,,,,0.0,0.0,,0.0,,,,,,0.0,,,
Cc1oc(-c2ccccc2F)nc1CS(=O)(=O)CC(=O)NCCCN1CCc2ccccc2C1,CID5308702,,,,,,,,0.0,,,,,,,,,
CC/N=C1\SC(CC(=O)Nc2sc(C)c(C)c2C(=O)OC)C(=O)N1CC,CID3236187,,,,0.0,0.0,,,,,0.0,0.0,,0.0,,,,
C/N=C1\SC(CC(=O)Nc2sc(C)c(C)c2C(=O)OC)C(=O)N1C,CID644831,,,,,0.0,0.0,,,,,0.0,,,0.0,,,
O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1F)N1CCN(Cc2ccccc2)CC1,CID3237237,,,,,,,,0.0,,,,,0.0,,,,0.0
O=C(c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)N1CCN(Cc2ccccc2)CC1,CID1022003,,,,,,,,,0.0,,,,,,,,
COc1ccccc1N1CCN(CC(=O)/C(C#N)=C2/NC(c3ccccc3)=CS2)CC1,CID5665572,,,,,,,,0.0,,,,,,,,,
N#C/C(C(=O)CN1CCN(c2ccccc2F)CC1)=C1\NC(c2ccccc2)=CS1,CID5665606,,,,,,0.0,,,,,,,,,,,
O=C1/C(=C\c2ccc3c(c2)OCO3)N2CCC1CC2,CID703512,,,,,,0.0,,,,,,,,,,,
O=C1/C(=C/c2cc3c(cc2Cl)OCO3)N2CCC1CC2,CID829511,,,,,,,,,,,,,,0.0,,,
CC(Sc1sc(=S)sc1SC(C)C(=O)O)C(=O)O,CID3238769,,,,,0.0,,,,,,,,,,,,
O=C(O)CSc1sc(=S)sc1SCC(=O)O,CID2771368,,,,,0.0,,,,,,,,,,,,
O=C(COc1ccc(Cl)cc1Cl)N1CCN(C/C=C/c2ccccc2)CC1,CID1377323,,,,,,,,,,0.0,,,,,,,
O=C(COc1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1,CID897946,,,,,,,,0.0,,,,0.0,0.0,,,,
CN(C)c1ccc(N/C=C2/C(=O)NC(=O)N(CCC3=CCCCC3)C2=O)cc1,CID5389548,,,,,,0.0,,,,,,,,,,,
CCN(CC)c1ccc(N/C=C2/C(=O)NC(=O)N(CCC3=CCCCC3)C2=O)cc1,CID5389681,,,,,,0.0,,,,,,,,,,0.0,
COc1ccc(-n2nc(C(=O)NCC(=O)NCc3ccco3)c3ccccc3c2=O)cc1,CID3239051,,,,,,,,,,0.0,,,0.0,,,,
COc1ccc(-n2nc(C(=O)NCC(=O)NCc3ccco3)c3ccccc3c2=O)cc1Cl,CID3245140,,,,,0.0,,0.0,,,,,,,0.0,,,
COc1cc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc(OC)c1OC,CID3130088,,,,,,,,,,,,,,0.0,,,
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccccc1C(=O)O,CID3130655,,,,,,,,,,,,,,0.0,,,
CCN1C(SCc2cccnc2)=NN/C1=C1\C=Nc2ccccc21,CID5310108,,,,,,0.0,,,,,,,0.0,,,,
COCCN1C(SCc2cccnc2)=NN/C1=C1\C=Nc2ccccc21,CID5310318,,,0.0,,,0.0,,0.0,,,,,,,,,0.0
CCOC(=O)c1c(C)c(C(=O)N2CCC3(CC2)OCCO3)c(C)n1CC,CID3238467,,0.0,,,,,,,,,,,,,,,
CCOC(=O)c1[nH]c(C)c(C(=O)N2CCC3(CC2)OCCO3)c1C,CID3243791,,0.0,,,,,,,,,,,,,,,
O=c1sc(N2CCN(c3ccccc3F)CC2)nc2ccsc12,CID5308998,0.0,,0.0,,,,,,,,,,,,,,
O=c1sc(N2CCN(c3ccc(F)cc3)CC2)nc2ccsc12,CID9550688,,,,,,0.0,,,,0.0,,,,,,,
CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C3CC3)o2)cc1,CID2051211,,0.0,,0.0,,,,,,,,,0.0,,,,0.0
CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C3CC3)o2)cc1,CID2051214,,,,,,,,,,,,,0.0,,,0.0,0.0
Cn1c(=O)c2c(nc(NCC3CCCO3)n2Cc2cccc(Br)c2)n(C)c1=O,CID2815785,,,,,,,,,0.0,,0.0,,,,,,
Cn1c(=O)c2c(nc(NCC3CCCO3)n2Cc2ccccc2)n(C)c1=O,CID3139400,,,,,,,,,,,,,,,0.0,,
CC(C)(C)NC(=O)C1CC(=O)OC12CCOC(C)(C)C2,CID2929189,,,,,,,,,,,,,,0.0,,,
CCCN(CCC)C(=O)C1CC(=O)OC12CCOC(C)(C)C2,CID2928987,,,,,,,,,,,,,,0.0,,,
CCn1c(N)c(C(=O)NC2CCCCC2)sc1=S,CID752652,,,,,0.0,,0.0,,,0.0,,,,,,,
C=CCn1c(N)c(C(=O)NC2CCCCC2)sc1=S,CID752651,,,0.0,,0.0,,0.0,,,,,,,0.0,,,
CCOC(=O)c1c(C)c(C(=O)N2CCCCCC2)c(C)n1CC,CID3236021,0.0,0.0,0.0,,0.0,,0.0,,,,,,0.0,,,,0.0
CCOC(=O)c1c(C)c(C(=O)N2CCCCCC2)c(C)n1C,CID3239797,,,,,,,,,,,,,,,,,0.0
COc1ccc(N2CCN(C(=O)CC3NC4CCCCC4NC3=O)CC2)cc1,CID667291,,,0.0,,,,,0.0,,,,,,,,0.0,
O=C1NC2CCCCC2NC1CC(=O)N1CCN(c2ccccc2)CC1,CID2979816,,,0.0,,,,,0.0,,,,,,,,0.0,
NC(=O)c1sc2nc3c(c(-c4ccccc4)c2c1N)CCC3,CID1201904,,,,,,,,,,,0.0,,,,,,
Cc1ccc(-c2c3c(nc4sc(C(N)=O)c(N)c24)CCC3)cc1,CID892463,,,,,,,,,,,0.0,,,,0.0,,
CCOCCCNS(=O)(=O)c1cc(Br)cc2c1N(C(=O)C1CC1)CC2,CID3245319,,,,,,,,,,,,,,,,0.0,
CCCCN(C)S(=O)(=O)c1cc(Br)cc2c1N(C(=O)C1CC1)CC2,CID3238027,,,,,,,0.0,,0.0,,0.0,,,,,0.0,0.0
Cc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)N2CCc3ccccc32)cc1,CID3240443,0.0,,0.0,,,,0.0,,,,,,,,,,
Cn1cccc1Cc1nnc(SCC(=O)N2CCc3ccccc32)n1-c1ccc(F)cc1,CID5307849,0.0,,,,,,,,,,0.0,,,,,,
O=S(=O)(Nc1ccc(-c2nc3cccnc3s2)cc1)c1cccs1,CID5310576,,,,,,,,,,0.0,,,,,,,
CCc1ccc(S(=O)(=O)Nc2ccc(-c3nc4cccnc4s3)cc2)s1,CID9550341,,,,,,,,,,,,0.0,,,,,
CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3nc4cc(C)ccc4o3)c2)cc1,CID2231689,,,,,,,,,,,,,0.0,,,,0.0
CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1,CID1107661,,,,,,,,,,,,0.0,,0.0,,,
O=c1c(CN2CCCCC2)c(O)oc2ccccc12,CID651020,,0.0,,,0.0,,,0.0,,0.0,,,0.0,,,,0.0
CCOC(=O)C1CCN(Cc2coc3ccc(Cl)cc3c2=O)CC1,CID783405,,0.0,0.0,,,,,,,,,,0.0,0.0,,0.0,
CC(C)CCN1C(=O)c2ccc(-c3nc4ccccc4c(=O)o3)cc2C1=O,CID1025927,,,,,,,,,0.0,,0.0,,,,0.0,,
CCN1C(=O)c2ccc(-c3nc4ccccc4c(=O)o3)cc2C1=O,CID4224323,,,,0.0,,,,0.0,,,,,,,,,
Cc1ccc(S(=O)(=O)CC2CSc3nnc(C)c(=O)n32)cc1,CID666352,0.0,,,0.0,0.0,,,,,0.0,0.0,,,,,,
Cc1nnc2n(c1=O)C(CS(=O)(=O)c1ccccc1)CS2,CID667001,,,,,0.0,0.0,,,,0.0,0.0,,0.0,,,,
O=C(Nc1ccc2oc(=O)ccc2c1)c1cccnc1,CID650372,,,,,,,,0.0,,0.0,,,0.0,,,,
O=C(Nc1ccc2oc(=O)ccc2c1)c1cccnc1Cl,CID958663,,,,,,0.0,,,,0.0,,,,,,,
O=C(Nc1cccnc1Cl)c1ccc(S(=O)(=O)N2CCCCCC2)cc1,CID2343591,,,,,,,,,,,,0.0,,,0.0,,
O=C(Nc1cccnc1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1,CID2540422,,,,,,0.0,,,,,0.0,,,,0.0,,
CN(CC(=O)NC1CCCCC1)S(=O)(=O)c1cccc2cccnc12,CID5307596,,,,,,,,0.0,,,,,0.0,,,0.0,
CC1CCCC(NC(=O)CN(C)S(=O)(=O)c2cccc3cccnc23)C1C,CID5308861,,0.0,,,,,,,,,,,,,,,
CCOC(=O)C1CCN(C(=O)C2CC(=O)N(c3ccc(C)cc3)C2)CC1,CID2963144,,,,,,,,,0.0,0.0,,,,,,,
CCOC(=O)C1CCCN(C(=O)C2CC(=O)N(c3ccc(C)cc3)C2)C1,CID2963164,,,0.0,,,,0.0,,,0.0,,,,,,,
COc1ccc(S(=O)(=O)NC(CC(=O)N2CCC3(CC2)OCCO3)c2ccco2)cc1,CID3242514,,,,,0.0,,,,,,0.0,,,,,,
Cc1ccc(S(=O)(=O)NC(CC(=O)N2CCC3(CC2)OCCO3)c2ccco2)cc1,CID3242745,,0.0,,,0.0,,,,,,,,,,,0.0,
Cc1nn(CC(=O)N2CCOCC2)c(C)c1[N+](=O)[O-],CID749623,,,,,,,,,,,,0.0,,,,,
Cc1cc(C(F)(F)F)nn1CC(=O)N1CCOCC1,CID673378,,,,,,,,,0.0,,,,,,,,
Cc1occc1C(=O)Nc1nnc(C(F)(F)F)s1,CID1244222,0.0,,,,0.0,,,,,0.0,,,,,,,0.0
CCSc1nnc(NC(=O)c2cc(C)oc2C)s1,CID1247265,0.0,,0.0,0.0,0.0,,,,0.0,0.0,,,,,,,
Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)Nc3ccc(F)cc3F)cc2)cc1,CID2212207,,,,,,,,,,,,,,,0.0,,
CC(=O)c1ccc(NC(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1,CID1295794,,,,,,0.0,,,,,,,,,0.0,,
Cc1cc(C(=O)NNC(=S)NCC2CCCO2)cs1,CID4607795,,,,,,,,,,,,0.0,,,,,
Cc1scc(C(=O)NNC(=S)NCC2CCCO2)c1C,CID4607796,,,,,,0.0,,,,,,,,,,,
CCOC(=O)CSc1nnc(-c2nnc(SCC(=O)OCC)n2CC)n1CC,CID3244977,,,,,,,,,,,,,,,,,0.0
CCn1c(SC)nnc1-c1nnc(SC)n1CC,CID975853,,,,,,,0.0,,,,,,,,,,
Cc1ccc(N2CCCn3c2cc(C)c(C#N)c3=O)cc1C,CID834350,,,,,,,,,,,0.0,,,0.0,,,
Cc1cc2n(c(=O)c1C#N)CCCN2c1ccccc1,CID834351,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)O)cc1S(=O)(=O)NCCCN1CCCC1=O,CID2378290,,,0.0,0.0,0.0,,,0.0,,0.0,,0.0,,,,,
O=C1CCCN1CCCNS(=O)(=O)c1cccc(F)c1,CID2573541,,,,,,,,,,,,,,0.0,,,
CCC(C)(C)n1nnnc1C(c1ccc(C)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID3209101,,,,,,,,,,,0.0,,,,,,
COCCn1nnnc1C(c1ccc(C)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID646733,,,,,,,,,,0.0,,,,,,0.0,0.0
Cc1cc(-c2ccco2)n(CC(=O)NCCN(C)C)n1,CID5308038,,0.0,,,,,,0.0,,,,,,,,,
Cc1ccc(-c2cc(C(=O)O)n[nH]2)o1,CID651228,,,,,,,0.0,,,0.0,,,0.0,,,,0.0
CN1CCN(S(=O)(=O)c2cccc(S(=O)(=O)c3ccc(Cl)cc3)c2)CC1,CID1310125,,,,,,,,,0.0,,,,,0.0,,,
Cc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)N1CCN(C)CC1,CID1328119,,,,,,,,,0.0,,,,,0.0,,,
Cc1ccccc1N1CCN(Cc2nc(Cc3ccccc3)no2)CC1,CID16190854,,,,,,,,,,,,,,0.0,,,
Clc1ccc(Cc2noc(CN3CCN(c4ccccc4)CC3)n2)c(Cl)c1,CID1250261,0.0,,,,,,,,,,,,,,,,
Cc1ccc2c(CSc3nc4ccccc4c(=O)n3CCCO)cc(=O)oc2c1,CID2575383,,,,,,,,0.0,,0.0,0.0,,,,,,
Cc1ccc2c(CSc3nc4ccccc4c(=O)n3CCCO)cc(=O)oc2c1C,CID2575417,,,,,,,,,,,0.0,,,,,,
CCCc1[nH]nc2c1C(c1ccc(OC(=O)N3CCOCC3)cc1)C(C#N)=C(N)O2,CID3244481,,,,,,,,,,,,,,,,0.0,
CCCc1[nH]nc2c1C(c1ccc(OC(=O)N3CCOCC3)c(OC)c1)C(C#N)=C(N)O2,CID3236522,,,0.0,,,,,0.0,,0.0,,,,,,0.0,0.0
COc1ccc(CC/N=c2\c([N+](=O)[O-])nn(-c3ccccc3)n2O)cc1OC,CID2973414,,,,,,,,,,,,,,0.0,,,
COc1ccc(-n2nc([N+](=O)[O-])/c(=N/CCc3ccc(C)cc3)n2O)cc1,CID16193725,,,,,,,,,,,,,,,0.0,,
O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1cccs1,CID760278,,,,,,0.0,,,,,,0.0,,,,,
COc1cc(/C=N/NC(=O)c2cccs2)ccc1OCc1ccccc1,CID1542586,,,,,,0.0,,,,,,,,,,,
Cc1ccc(COC(=O)c2nn(-c3ccccc3)nc2N)cc1,CID1504749,,,,,,,,,,,,,,,0.0,,
Cc1ccccc1COC(=O)c1nn(-c2ccccc2)nc1N,CID1505221,,,,,,,,,,,,,,,0.0,,
CCOc1ccccc1-n1c(SCC(=O)NC2CCCC2)nnc1-c1ccoc1C,CID654304,0.0,,0.0,,0.0,,,,,,0.0,,,,,,
Cc1cccc(-n2c(SCC(=O)NC3CCCC3)nnc2-c2ccoc2C)c1,CID1455091,,,,,,,,,,,0.0,,,,,,
CC(=O)Nc1cccc(-c2nnc(SCC(=O)N3CCCCC3)n2C)c1,CID2185533,,,,0.0,0.0,,,,,,,,,,,0.0,
CCC(=O)Nc1ccc(-c2nnc(SCC(=O)N3CCCCC3)n2C)cc1,CID1832219,,,,,,,,,,0.0,0.0,,,,,,
Cc1ccc(-c2ccc(CCC(=O)O)n2NC(=O)c2cccs2)cc1,CID2232362,,,,,0.0,,0.0,0.0,,0.0,0.0,,0.0,,,,
COc1ccc(-c2ccc(CCC(=O)O)n2NC(=O)c2cccs2)cc1,CID2302115,,,,0.0,0.0,,0.0,,,,,,,,,,
COc1ccc(N/C=C2\C=NNC2=O)cc1,CID6061011,,,,,,0.0,,,,,,,,,,,
COCC1=NNC(=O)/C1=C/Nc1ccccc1,CID6372528,,,,,,0.0,,,,,,,,,,,
c1ccc(Cn2nnnc2C(c2ccccc2)N2CCN(c3nc4ccccc4s3)CC2)cc1,CID644467,0.0,,,,,,,,,,,,,,,,
COc1ccc(C(c2nnnn2Cc2ccccc2)N2CCN(c3nc4ccccc4s3)CC2)cc1,CID648474,0.0,,,,,,,,,,0.0,,,,,0.0,
Cc1ccc(-n2c(SCn3nnc4ccccc4c3=O)nnc2-c2cccnc2)c(C)c1,CID2549759,0.0,,,,0.0,,,,,,0.0,,0.0,,,0.0,
O=c1c2ccccc2nnn1CSc1nnc(-c2cccnc2)n1-c1ccccc1F,CID2107086,,0.0,,,0.0,,,,,0.0,0.0,,,,,,
O=c1c2sc(-c3ccccc3)cc2nc2n1CCC2,CID900065,,,,,,,,,,,,0.0,,,,,
COc1ccc(-c2cc3nc4n(c(=O)c3s2)CCC4)cc1,CID754503,,,,,,,0.0,,,,,0.0,,,,,0.0
CC(C)C(c1nnnn1C1CCCC1)N1CCCc2ccccc21,CID651401,,,0.0,0.0,,,,,,,,,0.0,,,,
c1ccc2c(c1)CCCN2Cc1nnnn1C1CCCC1,CID644687,,0.0,0.0,0.0,,,,,,,,0.0,,,,,
CC1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)NC2CCCCC2)C1=O,CID2997751,0.0,,,,,,,,,,,,,,,,0.0
CC1CCCCC1NC(=O)CN1C(=O)NC(C)(c2ccc(OC(F)F)cc2)C1=O,CID2999509,0.0,,,,,,,,,,,,,,,,0.0
Cc1nnsc1NC(=O)OCc1ccccc1Cl,CID1480986,,,,,,0.0,,,,,,,,,,,
Cc1nnsc1NC(=O)OCc1ccc(C(C)(C)C)cc1,CID1479487,,,,,,,,,,,,,,,0.0,,
Cc1ccnc2nc(C(=O)OCC(=O)Nc3ccc4c(c3)OC(F)(F)O4)nn12,CID2530627,,,,,,,,,,,,0.0,,,,,
Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3ccc4c(c3)OCO4)nc2n1,CID2092972,,,,0.0,,,,0.0,,,,,,,,,
Cc1ccccc1NC(=S)NCCOc1ccccc1Cc1ccccc1,CID1821979,,,,,,0.0,,,,,,,,,,,
Cc1ccc(NC(=S)NCCOc2ccccc2Cc2ccccc2)c(C)c1,CID2223045,,,,,,0.0,,,,,,,,,,,
Cc1c(-c2ccco2)[n+](=O)c2c(n1[O-])CCCCC2,CID2283070,,,,,,,,,,0.0,,0.0,,,0.0,0.0,
Cc1ccc(-c2c(C)n([O-])c3c([n+]2=O)CCCCC3)o1,CID2289132,,,0.0,,0.0,0.0,0.0,,,0.0,,,,,,0.0,
Cc1ccc(NCN2C(=O)C(=O)c3ccccc32)nc1,CID1561542,,,,,,,,,,,,,,,0.0,,
O=C1C(=O)N(CNc2ccccn2)c2ccccc21,CID1607359,,,,,,0.0,,,,,,,,,,,
O=C(COc1ccccc1)N1CCN(S(=O)(=O)c2cccs2)CC1,CID1245926,,,,,0.0,,0.0,,,,,,0.0,,,,
N#Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)cc1,CID2079802,,,0.0,0.0,0.0,,0.0,,0.0,,0.0,0.0,,,,,0.0
Cc1nc(SCC(=O)N2CC(=O)Nc3ccccc32)c2c(C)c(C)sc2n1,CID1452502,,,,,,0.0,,,,,,,,0.0,,,
CCc1nc(SCC(=O)N2CC(=O)Nc3ccccc32)c2c(C)c(C)sc2n1,CID1452509,,,,,,0.0,,,,,,,,,,,
COc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)NC(=O)CO4)c2)cc1,CID1216303,,,,,,,,,,,,0.0,,0.0,0.0,,
COc1ccc(-c2cc(-c3ccc(OC)cc3)nc(-c3ccc4c(c3)NC(=O)CO4)c2)cc1,CID1726470,,,,,,,,,,,,,,0.0,,,
CC1CCc2nc3ccc(S(=O)(=O)N4CCC(C(=O)N5CCCCC5)CC4)cc3c(C(=O)O)c2C1,CID9550525,,,,,,,,,,,0.0,,,,,,
O=C(O)c1c2c(nc3ccc(S(=O)(=O)N4CCC(C(=O)N5CCCCC5)CC4)cc13)CCCC2,CID5308241,,,,,,0.0,0.0,,,,,,0.0,,,0.0,
COC(=O)c1ccc(COC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1,CID2417383,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(C(C)=O)cc1COC(=O)Cc1n[nH]c(=O)c2ccccc12,CID2541167,,0.0,0.0,,,,0.0,,,,,,0.0,,,,
CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)cc1,CID3242822,,,,,0.0,,,,,,,,,,,,
COc1cccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)c1,CID7401514,,,,,,,,,,,0.0,,,,,,
Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1cc(-n2cnnc2)ccc1Cl,CID1017700,,,,,,0.0,,,,,,,,,,,
O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1cc(-n2cnnc2)ccc1Cl,CID1017702,,,,,,0.0,,,,,,,,,,,
CC(NC(=O)C1(c2ccccc2)CCN(C(=O)C2CSCN2C(=O)OC(C)(C)C)CC1)C(=O)O,CID666119,,,0.0,,0.0,,,0.0,0.0,0.0,,,0.0,,,,0.0
CC(C)CC(NC(=O)C1(c2ccccc2)CCN(C(=O)C2CSCN2C(=O)OC(C)(C)C)CC1)C(=O)O,CID9550211,,,,,,,,,,,,,,0.0,,,
O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1cnccn1,CID1247210,0.0,,,0.0,,,0.0,,,,,,,,0.0,,
O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cnccn1,CID3245050,,0.0,,,,,,0.0,,,,,,,,,
Cc1cc(C)c(NC(=O)CS(=O)CC(=O)NCC2CCCO2)c(C)c1,CID650970,,,,,,,,,,,,,,,,,0.0
Cc1ccc(NC(=O)CS(=O)CC(=O)NCC2CCCO2)cc1,CID651444,,,,,,,,,,,,,0.0,,0.0,,
CCc1nnc(NC(=O)c2ccc(COc3ccc(C)cc3)o2)s1,CID645554,0.0,0.0,0.0,,0.0,,,0.0,,,,,,,,,0.0
CCc1nnc(NC(=O)c2ccc(COc3ccccc3)o2)s1,CID656384,0.0,0.0,0.0,,0.0,,,,,,,,,0.0,,0.0,
Cc1ccc(-c2csc(NC(=O)c3c(C)nn(-c4ccccc4)c3Cl)n2)cc1,CID3205842,,,,,,0.0,,,,,,0.0,,,,,
Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N(C)c1nc(-c2ccc(F)cc2)cs1,CID3205846,,,,,,,,,,,,,,0.0,,,
Cc1ccc2oc(=O)c3cc(C(=O)N4CCN(c5ncccn5)CC4)sc3c2c1,CID5308497,,,0.0,0.0,,,,,,,,,,,,,
O=C(c1cc2c(=O)oc3ccccc3c2s1)N1CCN(c2ncccn2)CC1,CID3241611,,,,,,,,,,,,,0.0,,,,
O=C(/C=C/c1ccco1)Nc1sc2c(c1C(=O)O)CCC2,CID776612,,,,,,,,,,,,0.0,,,0.0,,
COC(=O)c1c(NC(=O)/C=C/c2ccco2)sc2c1CCC2,CID727619,,,,,,,,,,,,,,0.0,,,
Cc1ccc2nc(N3CCC(C(=O)O)CC3)nc(-c3ccccc3)c2c1,CID661517,,,0.0,,,0.0,0.0,0.0,0.0,,,0.0,0.0,,0.0,,
Clc1ccc(-c2nc(N3CCCCC3)nc3ccccc23)cc1,CID783127,,,,,,,,,,,,0.0,,,,,
CCOc1ccccc1N1CC(C(=O)Nc2ccccc2N2CCOCC2)CC1=O,CID2998866,0.0,,,0.0,,0.0,,,0.0,,,0.0,,,,,
CCOc1ccc(N2CC(C(=O)Nc3ccccc3N3CCOCC3)CC2=O)cc1,CID4676972,,,,,,0.0,,,,,,,,,,,
COc1ccc(OCCN2C(=O)NC3(CCc4ccccc4C3)C2=O)cc1,CID4263434,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C)c(OCCN2C(=O)NC3(CCc4ccccc4C3)C2=O)c1,CID4885189,,,,,,,,,,,,,,,0.0,,
Cc1nc(NNC(=O)c2ccccc2)cc(-c2ccccc2)n1,CID867941,,,,,,,,,0.0,,0.0,0.0,,,0.0,,
Cc1nc(NNC(=O)c2ccc(Cl)cc2Cl)cc(-c2ccccc2)n1,CID2257109,,,,,,,,,0.0,,,,,,,,
Cc1ccc2c(c1)c(C)c(C)n2CC(O)Cn1nc(C)cc1C,CID652327,,,,,0.0,,,,,,,,,,,,
Cc1ccc2c(c1)c(C)c(C)n2CC(O)Cn1nc(C)c(Br)c1C,CID2951711,0.0,,,,,,0.0,,,,,,,,,0.0,0.0
O=C(c1ccccc1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1,CID3490267,,,,,,,,,,0.0,,,,,,,
Cc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)cc1,CID3724239,,,,,,,,,,,0.0,,,,,,
COc1ccc(C2=NN(S(C)(=O)=O)C(c3ccc4nccnc4c3)C2)cc1,CID3157414,,,,,,,,,,,,,,0.0,,,
O=C(O)CCC(=O)N1N=C(c2ccccc2)CC1c1ccc2nccnc2c1,CID2952171,,,,,,,,,,,,,,,0.0,,
O=C(CN1CCN(c2ccccc2)CC1)N1N=CCC1c1ccccc1,CID2950698,,,,,,0.0,,,,,,,,,,,
O=C(CN1CCN(c2ccc(F)cc2)CC1)N1N=CCC1c1ccccc1,CID2981137,,,,,,0.0,,,,,,,,,,,
COc1ccc(N(C(=O)Cc2cccs2)C(C(=O)NC2CCCCC2)c2cccn2C)cc1OC,CID3191193,,,,,,,,,,,,,,,0.0,,
COc1ccc(N(C(=O)Cc2cccs2)C(C(=O)NC2CCCCC2)c2cccn2C)cc1,CID3191195,,,,,,,,,,,0.0,,,,,,
CCCCC(=O)OC1CCC2C3CCc4cc(O)ccc4C3CCC12C,CID13791,,,,,,,,,0.0,0.0,,,,,,,
CC12CCC3c4ccc(O)cc4CCC3C1CCC2OC(=O)CCC(=O)O,CID66440,,,,,,,,,,,,,,,,,0.0
Cc1nn(C)cc1CN(C)C(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1,CID651902,0.0,,,,,,,,,,,0.0,,,,,
Cc1nn(C)c(C)c1CN(C)C(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1,CID1223566,0.0,,,,,,,,,,,,,,,,
Cc1ccc(/C=N/N2CCN(c3ccncc3S(=O)(=O)N3CCCCC3)CC2)cc1,CID1214520,,,,,,,,,,,,,,0.0,,,
O=S(=O)(c1cnccc1N1CCN(/N=C/c2ccc(Cl)cc2)CC1)N1CCCCC1,CID1214522,,,,,,,,,,,,0.0,,,,,
N#Cc1cc(C#N)c(N2CCN(c3ccccn3)CC2)nc1N,CID2765322,,,,,,,,,,,,0.0,,,,,
N#Cc1cc(C#N)c(N2CCN(c3cccc(Cl)n3)CC2)nc1N,CID2764493,,,,,,,,,,,,,,0.0,,,
O=C(Cc1ccccc1)NCC(=O)OCC(=O)c1cccc([N+](=O)[O-])c1,CID2171031,,,,,,,,,,,,,,,0.0,,
O=C(Cc1ccccc1)NCC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1,CID1612523,,,,,,,,,,,,,,0.0,,,
Cc1ccc(-c2nc(CSCC(=O)N3CCOCC3)c(C)o2)cc1,CID3235915,0.0,,,0.0,,,0.0,,,0.0,0.0,,,,,,
CSc1ccc(-c2nc(CSCC(=O)N3CCOCC3)c(C)o2)cc1,CID3238837,,,0.0,,,0.0,,,0.0,,0.0,,0.0,,,,
CCOC(=O)c1c(-c2ccc(C)s2)csc1NC(=O)c1ccco1,CID1277404,,,,,,0.0,0.0,,,0.0,,,0.0,,,,
CCOC(=O)c1c(-c2cccs2)csc1NC(=O)c1ccco1,CID706106,,,,,,,0.0,,0.0,,,,0.0,,0.0,,
O=C(N/C(=C/C=C/c1ccccc1)C(=O)N1CCOCC1)c1ccccc1Br,CID1163120,,,,,,,,,,,,,,,0.0,,
O=C(N/C(=C/C=C/c1ccccc1)C(=O)N1CCOCC1)c1ccccc1Cl,CID1001855,,,,,,,,,,,,,,0.0,,,
CCc1c(C)n([O-])c2c([n+]1=O)CCCCC2,CID1845524,,,0.0,,,,0.0,,,,,,0.0,,,0.0,
Cc1c(C)[n+](=O)c2c(n1[O-])CCCCC2,CID649831,,,,0.0,,,,0.0,,,,,,,,0.0,
Cc1ccc(NC(=S)NC(=O)c2c(-c3ccccc3Cl)noc2C)cc1,CID1308300,,,,,,0.0,,,,,,0.0,,,0.0,,
COc1ccccc1NC(=S)NC(=O)c1c(-c2ccccc2Cl)noc1C,CID1192732,,,,,,,,,,,,,,,0.0,,
O=C(O)CSc1nnc(SCc2cccc3ccccc23)s1,CID853224,,,,,,,,,0.0,,,,,0.0,0.0,,
CC(C)OC(=O)CSc1nnc(SCc2cccc3ccccc23)s1,CID986188,,,,,,0.0,,,0.0,,,,,0.0,0.0,,
Cc1nnc(SCCn2c(N3CCN(C)CC3)nc3c2c(=O)[nH]c(=O)n3C)s1,CID666576,,0.0,,0.0,,,,,,,0.0,,,,,,
Cc1nnc(SCCn2c(N3CCN(C)CC3)nc3c2c(=O)n(C)c(=O)n3C)s1,CID666271,,0.0,,0.0,,,,,,,0.0,0.0,,,,,0.0
Cc1ccc([N+](=O)[O-])c(OCC(=O)OCC(=O)c2ccccc2)c1,CID870538,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)COC(=O)COc2ccc(C)c(C)c2)cc1,CID821587,,,,,,,,,,,,,,0.0,,,
COc1ccc(C2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1Cn1nnc2ccccc21,CID2910387,,0.0,0.0,,,,,,,,,,,,,,
CCCc1[nH]nc2c1C(c1ccc(OC)c(Cn3nnc4ccccc43)c1)C(C#N)=C(N)O2,CID2948028,,,0.0,,,,,,,,0.0,,,,,0.0,
N#Cc1ccc2ccn(CC(=O)NC3CCCCCC3)c2c1,CID649923,,,,0.0,0.0,,0.0,,,,,0.0,,,,,0.0
COC(=O)c1cn(CC(=O)NC2CCCCCC2)c2ccccc12,CID848129,,,,,,,,,,,0.0,0.0,,,,,
Cc1cc(C)nc(NCCCc2ccccc2)n1,CID649103,,0.0,,,,,,,,,,,0.0,,,,
c1ccc(CCCNc2ncccn2)cc1,CID2064396,,,,,,,,,,0.0,,0.0,,,0.0,,
O=C(COc1ccc(Cl)cc1)OCc1csc(Nc2ccccc2)n1,CID2343528,,,,,,,,,,,,,,,0.0,,
Cc1ccc(Nc2nc(COC(=O)COc3ccc(C=O)cc3)cs2)cc1,CID2127949,,,,,,,,,,,,,,0.0,,,
CC1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1,CID655433,,,,,0.0,,,,,,,0.0,,,,0.0,
CC1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1,CID3192476,,,,,,,,,,,0.0,,,,,,
COc1ccc(-c2cn3c(C)c(C(=O)N4CCc5ccccc5C4)sc3n2)cc1,CID5310419,,,,,,,0.0,,,,,,,,,,
Cc1c(C(=O)N2CCc3ccccc3C2)sc2nc(-c3ccccc3)cn12,CID3245021,0.0,,,0.0,,,,0.0,,,,,,,,,
Cn1c(=O)c2c(SCc3ccccc3)nc(-c3ccco3)nc2n(C)c1=O,CID5310410,,,,,,,,,,0.0,,,,,,,
Cn1c(=O)c2c(SCc3cccc(C(F)(F)F)c3)nc(-c3ccco3)nc2n(C)c1=O,CID3235765,0.0,,,,0.0,,,,,,,,,,,,0.0
N#Cc1ccc(-c2ccc(F)cc2)nc1Sc1ccc(F)cc1,CID2765283,,,,,,,,,,,,,,0.0,,,
Cc1ccc(Sc2nc(-c3ccccc3)ccc2C#N)cc1,CID2765221,,,,,,0.0,,,,,,,,,,,
O=C1OCC(c2ccccc2)=C1c1ccccc1[N+](=O)[O-],CID2357762,,,,,,,,,,,,,,0.0,,,
COc1ccc(C2=C(c3ccc([N+](=O)[O-])cc3)C(=O)OC2)cc1,CID2389148,,,,,,,,,,,,,,0.0,0.0,,
CNC(=O)C1CC(=O)N(CCc2ccc(OC)cc2)/C(=N/c2ccc(OC)cc2)S1,CID3141790,,,,,,,,,,,0.0,,,,0.0,,
COc1ccc(CCN2C(=O)CC(C(N)=O)S/C2=N\c2ccccc2)cc1OC,CID646141,,,0.0,,0.0,,0.0,,,,,,,,,,
Cc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)noc3C)C2)nc1,CID3241672,,,,0.0,,,,0.0,,,,,,,,,
Cc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)Nc2ccc(Cl)cn2)C1,CID3244437,0.0,,,,0.0,,,,,,,,,,,,0.0
CSC1=N/C(=C\c2ccccc2)C(=O)N1C,CID1781845,,,,,,0.0,,,,,,,,,,,
CCCCCNC(=O)CSC1=N/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)N1CC,CID1820066,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC(=O)NC2(C(=O)NCc3ccccc3)CCCCC2)cc1,CID3222691,,,,,,,,,,,,0.0,,,,,
Cc1ccc(CNC(=O)C2(NC(=O)Nc3ccc(C)cc3)CCCCC2)cc1,CID3222718,,,,,,0.0,,,,,,,,,,,
Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC(C(=O)NCCCN2CCCC2=O)CC1,CID5308757,0.0,,,,,,,,,0.0,,,,,,,
Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)NCCCN2CCCC2=O)CC1,CID5307413,0.0,,,,,,,,,,,,0.0,,,,
COc1cccc(N2CCN(C(=O)CN(c3ccc(C)cc3)S(=O)(=O)c3c(C)n[nH]c3C)CC2)c1,CID5308758,,,,,,,,0.0,,,,,0.0,,,,
Cc1ccc(N(CC(=O)N2CCN(c3ccc(F)cc3)CC2)S(=O)(=O)c2c(C)nn(C)c2C)cc1,CID5309115,0.0,,,,,,,0.0,,,,,0.0,,,,
Cn1cccc1Cc1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1-c1ccc(F)cc1,CID5309404,0.0,,,,,,,,,0.0,,,0.0,,,,
COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2ccc3c(c2)OCCO3)cc1,CID5308386,0.0,,,,,0.0,,,,0.0,,,,,,0.0,
CS(=O)(=O)n1nc(-c2ccccc2)nc1NCc1ccco1,CID828755,,,,,,,,,,,0.0,0.0,,,,,
CCS(=O)(=O)n1nc(-c2ccccc2)nc1NCc1ccco1,CID970919,0.0,0.0,,0.0,,,,0.0,0.0,,0.0,,,0.0,,,
Clc1ccc(SCc2cc(-c3ccccc3)no2)cc1,CID1479579,,,,,,0.0,,,,,,,,0.0,,,
Clc1ccc(-c2cc(CSc3ccccc3)on2)cc1,CID1479597,,,,,,,,,,,,,,0.0,,,
CCN(CC)c1ccc(/C=N/NC(=O)Nc2ccccc2)cc1,CID788876,,,,,,,,,,,,,,,0.0,,
CC(C)/C(=N\NC(=O)Nc1ccccc1)c1ccccc1,CID832836,,,,,,0.0,,,,,,,,,,,
CC1CCc2cc(F)cc3c(=O)c(C(=O)NCc4ccco4)c(O)n1c23,CID661578,,,0.0,0.0,,,0.0,0.0,,,,,,,,,
O=C(NCc1ccco1)c1c(O)n2c3c(cccc3c1=O)CCC2,CID646767,0.0,,,,0.0,,0.0,0.0,,,,,0.0,,,,
CN1CCN(C(=O)c2cc(-c3cccc(Cl)c3)on2)CC1,CID3240862,0.0,,0.0,0.0,,,,,,0.0,,,,,0.0,,0.0
CN1CCN(C(=O)c2cc(-c3ccccc3)on2)CC1,CID973869,,,,,,,,0.0,,,,,0.0,,,,
CCCS(=O)(=O)N1CCCC(C(=O)NCC2CCCO2)C1,CID3237949,,0.0,,0.0,,,,,,,,,,,,,
CCS(=O)(=O)N1CCCC(C(=O)NCC2CCCO2)C1,CID3244430,,,,,,,,,,,,,0.0,,,,
O=C(CSc1nc(=O)c2c([nH]1)CCCC2)Nc1ccc(Cl)cc1F,CID3237943,0.0,0.0,,,,,,,,,,,0.0,,,,0.0
CN(C)c1ccc(NC(=O)CSc2nc(=O)c3c([nH]2)CCCC3)cc1,CID3241734,,0.0,,0.0,,,,,0.0,,0.0,,,,,,
Cc1ccc(S(=O)(=O)N2CC3(C)CN(S(=O)(=O)c4ccc(C)cc4)CC(C)(C2)C3=O)cc1,CID1097136,,,,,,,,,,,0.0,,,,,,
CCC12CN(S(=O)(=O)c3ccc(C)cc3)CC(CC)(CN(S(=O)(=O)c3ccc(C)cc3)C1)C2=O,CID1234730,,,,,,,,,,,0.0,,,,,,
COC(=O)c1ccc(-c2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)o2)cc1,CID2889565,,,,,,0.0,,,,,,,,,,,
O=C1NC(=O)C(=Cc2ccc(-c3cc(Cl)ccc3[N+](=O)[O-])o2)C(=O)N1,CID3122089,,,,,,,,,,,,,,0.0,,,
O=C(Nc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1ccccc1,CID3132207,,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1ccccc1Cl,CID2270563,,,,,,0.0,,,,,,,,,,,
Cc1nn(-c2nc3ccccc3s2)c(N)c1-c1ccccc1,CID756028,,,,,0.0,,,,,,0.0,,,,,0.0,
Cc1nn(-c2nc3ccccc3s2)c(N)c1-c1ccc(Cl)cc1,CID715964,,,,,0.0,,,,,,,,,,,,0.0
OCCN1CN=C(Nc2nc3ccccc3o2)NC1,CID756025,,0.0,,0.0,,,0.0,,,,,,,,,0.0,
COCCN1CN=C(Nc2nc3ccccc3o2)NC1,CID1865829,,,,,,,,,,,,,,,0.0,,
Cn1nc(OC(=O)Nc2ccccc2)cc1C(F)(F)F,CID1476826,,,,,,,,,0.0,,,,,,,,
Cn1nc(OC(=O)Nc2ccc(F)cc2)cc1C(F)(F)F,CID1480839,,,,,,,,,0.0,,,,,,,,
CCCCN(CCCC)C1=Nc2ccccc2N/C1=C(/C#N)C(=O)OCC,CID5898101,,,,,,1.0,,,,,,,,,,,
CCOC(=O)/C(C#N)=C1/C=Nc2ccccc2N1,CID5600879,,,,,,,,,,,,,,,,0.0,
Cc1nn(C)cc1/C=N/NC(=O)c1csc2ccccc12,CID842309,,,,,,,,,,,,,,,0.0,,
Cc1c(/C=N/NC(=O)c2csc3ccccc23)cnn1C,CID842291,,,,,,,,,,,,,,,0.0,,
CCS(=O)(=O)NCCc1csc(-c2cccnc2)n1,CID5310288,,,,0.0,,,,,,,,,,,,,
CNC(=O)c1sc(-c2cccnc2)nc1C,CID1483710,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)NC(C(=O)Nc2ccc(OC)nc2)C(C)C)cc1,CID2089584,,,,,,,,,0.0,,,0.0,,,,,
COc1ccc(NC(=O)C(CC(C)C)NC(=O)c2ccccc2C)cn1,CID2998498,,,,0.0,0.0,,,,0.0,,,,,,,,0.0
C/C(NC(=O)c1ccccc1)=C1/C(=O)CC2C1C2(C)C,CID5310864,,0.0,0.0,,,,0.0,,,,,,0.0,,,0.0,
C/C(NC(=O)c1ccccc1F)=C1\C(=O)CC2C1C2(C)C,CID660151,,,0.0,,,,0.0,,,,,,,,,,
COC(=O)CN1C(=O)N(c2ccccc2)C(N(O)C(=O)Nc2ccccc2)C1(C)C,CID658583,,0.0,,0.0,,,,,0.0,,0.0,0.0,,,,,
CC1(C)C(N(O)C(=O)Nc2ccccc2)N(c2cccc(Cl)c2)C(=O)N1O,CID657932,0.0,,,,0.0,,0.0,,,,,,0.0,,,,
COC(=O)Cc1c(O)n(CCc2c[nH]c3ccccc23)ccc1=O,CID2768061,,,,,,,,,,,,,,0.0,,,
Cc1c(C)n(CCc2c[nH]c3ccccc23)ccc1=O,CID3769640,,,,,,,,,,,,,,,0.0,,
Cc1nc(Nc2nc(=O)cc(-c3ccccc3)[nH]2)nc2ccccc12,CID777322,,0.0,0.0,,,,0.0,0.0,,,,0.0,0.0,,,,
Cc1ccc2nc(Nc3nc(=O)cc(-c4ccccc4)[nH]3)nc(C)c2c1,CID777324,,,,,,0.0,,,,,,0.0,,,,,
Cc1ccc(-c2cc(C(=O)NCc3ccccn3)c3ccccc3n2)cc1,CID1220288,,,,,,,,,,,,0.0,,,,,
Cc1ccc(-c2cc(C(=O)NCc3ccccn3)c3ccccc3n2)cc1C,CID1022757,,,,,,,,,,,,0.0,,,,,
COc1ccccc1CN1CCN(Cc2nc(-c3ccccc3)no2)CC1,CID16189001,,,,,,,,,,,,,,,0.0,,
Cc1ccc(-c2noc(CN3CCN(Cc4ccccc4)CC3)n2)cc1,CID2960135,0.0,,,0.0,,,,0.0,,,,,,,,,0.0
Cc1ccc(C(=O)C(OC(=O)COc2ccccc2C)c2ccccc2)cc1,CID2926312,,,,,,0.0,,,,,,,,,,,
Cc1ccccc1OCC(=O)OC(C(=O)c1ccccc1)c1ccccc1,CID2912459,,,,,,,,,,,,,,,0.0,,
Cn1c(=O)c2c(nc(N3CCCCCC3)n2CCSc2nc3ccccc3o2)n(C)c1=O,CID3830621,0.0,,,0.0,0.0,,0.0,,,,,,,,,0.0,
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCCC1)n2CCSc1nc2ccccc2o1,CID986853,,,,,0.0,,,0.0,,,,,0.0,,,,
Cc1cc(NC(=O)CS(=O)(=O)c2cn(C)c3ccccc23)no1,CID751497,,,,,,,,,0.0,,,,,,,,
CCn1cc(S(=O)(=O)CC(=O)Nc2cc(C)on2)c2ccccc21,CID2157583,,,,,,0.0,0.0,,0.0,,0.0,,,,,0.0,0.0
COc1ccc(C(c2nnnn2C2CCCC2)N2CCC(C)CC2)c(OC)c1,CID646517,,,,,,,,,,,,,0.0,,,,0.0
COc1ccc(C(c2nnnn2C2CCCC2)N2CCC(C(N)=O)CC2)c(OC)c1,CID645765,,,0.0,,,,,,,0.0,,,,,,,
COc1ccc(CCn2c(NCc3ccco3)nc3c2c(=O)[nH]c(=O)n3C)cc1,CID665721,,,,,,,,,,,,,,,,,0.0
Cn1c(=O)c2c(nc(NCc3ccco3)n2CCc2ccccc2)n(C)c1=O,CID657471,0.0,0.0,,,,,,,,,,,,,,,0.0
O=C(COC(=O)c1ccc2ccccc2n1)c1ccccc1,CID1158601,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(C(=O)COC(=O)c2ccc3ccccc3n2)cc1,CID805957,,,,,,,,,,,,,,,0.0,,
CC1CN(C2CCCCC2)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1,CID665726,,,,,,0.0,,0.0,,,,,,,,,
CC1CN(C2CCCCC2)c2nc3c(c(=O)[nH]c(=O)n3C)n2C1,CID665825,,0.0,,0.0,,,,,,,,,0.0,,,,0.0
CCCc1cc(C(=O)NCc2cccs2)no1,CID5309850,,,,,,0.0,,0.0,,,,,0.0,,,,
CC(C)Cc1cc(C(=O)NCc2cccs2)no1,CID5308177,,,,,,,,,,,0.0,,,,,,
CC(C)CC(=O)c1c[nH]c(C(=O)NCCc2ccccn2)c1,CID3631676,,,,,,,,,,,,,,,0.0,,
CCC(CC)C(=O)c1c[nH]c(C(=O)NCCc2ccccn2)c1,CID1489168,,,,,,0.0,,,,,,,,,,,
COc1ccc(/C=N/Nc2nc(C)c([N+](=O)[O-])c(N(C)c3ccccc3)n2)cc1OC,CID2863102,,,,,,,,,,,,0.0,,,0.0,,
Cc1nc(N/N=C/c2ccccc2)nc(N(C)c2ccccc2)c1[N+](=O)[O-],CID2833314,,,,,,,,,,,,0.0,,,,,
CC12CCC(C/C1=N\NC1=NC(=O)/C(=C\c3ccc(Cl)cc3)S1)C2(C)C,CID12005663,,,,,,,,,,,,,,,0.0,,
COc1ccc(/C=C2/SC(N/N=C3\CC4CCC3(C)C4(C)C)=NC2=O)cc1,CID11958370,,,,,,0.0,,,,,,,,,,,
O=C1CCCC2=C1C(c1cccs1)N1NC(SCc3ccccc3)=NC1=N2,CID5390073,,,,,,,,,,,,0.0,0.0,,,,
Cc1ccccc1CSC1=NC2=NC3=C(C(=O)CCC3)C(c3cccs3)N2N1,CID5771359,,,,,,0.0,,,,,,,0.0,,,,
CN(CC(=O)NCc1cccc(F)c1)C(=O)c1ccco1,CID3239530,,,,,,0.0,,0.0,,,,,,,,,
CSCCC(NC(=O)c1ccco1)C(=O)NCc1ccc(F)cc1,CID4884600,,,,,,,,,,,,,,0.0,,,
CCOc1ccc2nc(NCCNC(=O)Nc3cccc(C)c3)c(C#N)cc2c1,CID646981,,,,,,0.0,,,,,,,,,,0.0,0.0
CCOc1ccc2nc(NCCNC(=O)Nc3ccccc3)c(C#N)cc2c1,CID654684,,,,,,,,,0.0,,,,,,,0.0,
NC(=O)c1ccccc1OCCOCCOCCOc1ccccc1C(N)=O,CID659533,,,0.0,0.0,0.0,,,,,,,,,,,,
Nc1ccccc1OCCOCCOCCOc1ccccc1N,CID666143,0.0,,0.0,,0.0,,,0.0,,,,,0.0,,,,
Cc1c(N(C(=O)c2cc(=O)[nH]c3ccccc23)C(C)C)c(=O)n(-c2ccccc2)n1C,CID659948,0.0,,,,0.0,,0.0,0.0,0.0,0.0,,0.0,0.0,,,,0.0
Cc1c(NC(=O)c2cc(=O)[nH]c3ccccc23)c(=O)n(-c2ccccc2)n1C,CID2449863,,,,,,,,,,,0.0,0.0,,,0.0,,
O=C(NCCO)c1ccc(-c2nnc(N3CCOCC3)c3ccccc23)cc1,CID1913502,,0.0,,,,0.0,,0.0,,,,,0.0,,,,
Cc1ccc(-c2nnc(N3CC(C)OC(C)C3)c3ccccc23)cc1,CID6418527,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C1CCN(c2nnc(N3CCCC3=O)s2)CC1,CID3243897,,,,,,,,0.0,,,,,,,,,0.0
CCN(CC)CCCNC(=O)C1CCCN(c2nnc(N3CCCC3=O)s2)C1,CID9550583,,,,,,,,,,,0.0,,,,,,
c1ccc(-c2cc(N3CCCCC3)ncn2)cc1,CID867847,,0.0,,0.0,,,,,,,,,,,0.0,,
Nc1nc(-c2ccccc2)cc(N2CCCCC2)n1,CID879133,,,,,,,,,,,,,0.0,,0.0,0.0,
CC(=O)/C=C1/SC=C(c2ccccc2)N1c1ccccc1,CID867848,,,,,,,,,,,,,,0.0,,,
COc1ccc(C2=CS/C(=C/C(C)=O)N2c2ccccc2)cc1,CID762250,,,,,,,,,,,,,,0.0,0.0,,
O=C(CN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1,CID658040,,0.0,,0.0,,,0.0,,0.0,,,0.0,,,,,
Cc1ccc(C)c(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1,CID2531714,,,,,,0.0,,,0.0,,0.0,,,,,,
COc1ccccc1NC(=O)Cn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O,CID1309611,,,,,,,,,,,0.0,,,,,,
COc1ccc(-c2nn(CC(=O)Nc3ccc(Cl)c(Cl)c3)c(=O)c3ccccc23)cc1,CID1915086,,,,,,,,,,,,0.0,,,,,
O=c1c(S(=O)(=O)c2ccc(Cl)cc2)cn(Cc2ccccc2F)c2ccc(F)cc12,CID2137265,,,,,,,,,,,,,,,0.0,,
O=c1c(S(=O)(=O)c2ccc(Cl)cc2)cn(Cc2cccc(F)c2)c2ccc(F)cc12,CID2137269,,,,,,,,,,,,,,0.0,,,
O=c1cc(NC2CCCCC2)c2ccccc2o1,CID2048744,,,,,,,,,0.0,0.0,,,,0.0,,,
Nc1c(NC2CCCCC2)c2ccccc2oc1=O,CID50494,0.0,,,0.0,,,0.0,0.0,,0.0,,0.0,,,,,
Cc1nn(S(=O)(=O)c2cccs2)c(C)c1Sc1ccccc1,CID1327702,,,,,,,,,,,,,,0.0,,,
Cc1nn(S(=O)(=O)c2cccs2)c(C)c1Sc1ccc([N+](=O)[O-])cc1,CID2132309,,,,,,,,,,,,0.0,,,,,
Cc1ccc(CNC2=Nc3ccccc3CS2)cc1,CID3721736,,,,,,0.0,,,,,,,,,,,
COc1ccc(CNC2=Nc3ccccc3CS2)cc1,CID1483594,,,,,,0.0,,,,,,,,,,,
CC1Cc2cc(/C(O)=C3/C(=O)C(=O)N(CCCN(C)C)C3c3ccncc3)ccc2O1,CID5771738,,,,0.0,,,,0.0,,,,,,,,,
CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc3c(c2)CC(C)O3)C1c1ccncc1,CID5389597,,,,,,,,0.0,,,0.0,,,,,,
COc1cccc(NC(=O)N2CCC(C(=O)Nc3ccc(C)cc3C)CC2)c1,CID647399,0.0,,,,,,0.0,,0.0,0.0,,0.0,,,,,0.0
Cc1ccc(NC(=O)N2CCC(C(=O)Nc3ccc(C)cc3C)CC2)cc1,CID3222760,,,,,,,,,,,,0.0,,,,,
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(-c2cc(Cl)ccc2Cl)o1,CID1523976,,,,,,,,,,,,,,,0.0,,
CC(=O)C1=C(C)NC(C)=C(C(C)=O)C1c1ccc(-c2ccccc2Cl)o1,CID1113659,0.0,0.0,,,,,,,,,,,0.0,,,0.0,0.0
O=C(COc1ccccc1)Nc1cccc2c1CCCC2,CID796058,,,,,,0.0,,,,,,,,0.0,,,
CC(C)c1ccc(OCC(=O)Nc2cccc3c2CCCC3)cc1,CID1122227,,,,,,0.0,,,,,,,,,,,
O=C(Cc1ccc(Br)cc1)OCC(=O)c1ccc2c(c1)OCCO2,CID2269359,,,,,,,,,,,,0.0,,,,,
COc1cc(CC(=O)OCC(=O)c2ccc3c(c2)OCCO3)cc(OC)c1OC,CID2558141,,,,,,,,,,,0.0,,,,0.0,,
Cc1ccc(S(=O)(=O)NNC2=c3ccccc3=NC2=O)cc1,CID5355543,,,,,,,,,,,0.0,0.0,,,,,
Cc1ccc(S(=O)(=O)NNC2=c3ccccc3=NC2=O)cc1C,CID5342969,,,,,,0.0,,,,,,,,,,,
O=C(NC1CCCCC1)N(Cc1ccc(F)cc1)Cc1nc(=O)c2ccccc2[nH]1,CID653054,,,0.0,,,,,,,,,0.0,,,,,
COc1ccc(CN(Cc2nc(=O)c3ccccc3[nH]2)C(=O)NC2CCCCC2)cc1,CID646870,0.0,,0.0,,,,,0.0,,,0.0,0.0,,,,,0.0
Cc1ccc(NC(=O)CS(=O)CC(=O)NC(C)CCc2ccco2)cc1Cl,CID655661,0.0,,0.0,0.0,,,,,,,,,0.0,,0.0,,
CCc1ccc(NC(=O)CS(=O)CC(=O)NC(C)CCc2ccco2)cc1,CID655436,,,,,,,,0.0,,,,,,,,,
Fc1ccc(Cn2nnnc2C(c2cccs2)N2CCCCCC2)cc1,CID654539,0.0,0.0,0.0,,,,0.0,,,,0.0,,,,,,0.0
COc1ccc(Cn2nnnc2C(c2cccs2)N2CCCCCC2)cc1,CID3193608,,,,,,,,,,,0.0,,,,,,
CC(C)Cn1c(N)c(C(=O)CSc2nnnn2C)c(=O)n(C)c1=O,CID2630204,,,,,,,,,,,0.0,,,,,,
Cn1nnnc1SCC(=O)c1c(N)n(C)c(=O)n(C)c1=O,CID2109821,,0.0,,0.0,,,0.0,,,,,,,,,,
Cc1ccc2c(c1)cc(CN(Cc1ccc3c(c1)OCO3)C(=O)c1cnccn1)c1nnnn12,CID646243,,,,,,,,,,0.0,0.0,,,,,,
Cc1cc2cc(CN(Cc3ccc4c(c3)OCO4)C(=O)c3cnccn3)c3nnnn3c2cc1C,CID654112,,,,,,,,,,,,,0.0,,,,
Clc1nc(CN2CCOCC2)nc2sc3c(c12)CCC3,CID2402633,,,,,,,,,,,,,,,0.0,,
CCNc1nc(CN2CCOCC2)nc2sc3c(c12)CCC3,CID2572787,,,,,,,,,,,0.0,,,,,,
CC(NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1ccc(C#N)cc1,CID660802,,0.0,0.0,,,,0.0,,,,,0.0,0.0,,0.0,0.0,
CC(NC(=O)c1ccc(F)cc1)c1nc2ccccc2n1Cc1ccccc1F,CID2975106,,,,,,,,,,,,0.0,,,,,
COCCNC(=O)c1ccccc1NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1,CID1796345,,,,,,,,,,,,,,0.0,0.0,,
COc1ccccc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1,CID1345557,,,,,,0.0,,,,,,,,,,,
O=S(=O)(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccs1,CID1092315,,,,,0.0,,,,0.0,,,,,,,,
O=S(=O)(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Br)s1,CID1006732,,,,,0.0,,,,,,,,,,,,
CCC1(O)CC(C(=O)OC)=NN1C(=O)c1ccccc1,CID6620639,,,,,,0.0,,,,,,,,,,,
COC(=O)C1(O)CC(C(C)C)=NN1C(=O)c1ccc(Cl)cc1,CID3886109,,,,,,0.0,,,,,,,,,,,
Cc1c(C(=O)NCc2ccccn2)sc2nc(-c3ccc(F)cc3)cn12,CID3237288,0.0,0.0,,,0.0,,,0.0,,,,,0.0,,,0.0,0.0
Cc1c(C(=O)NCc2ccccn2)sc2nc(-c3ccccc3)cn12,CID5310055,,,,,,,,,,,,,,,0.0,0.0,
O=C(O)C1C2C=CC(C2)C1C(=O)NCCc1cccc(Cl)c1,CID2930827,,,,,,,,,,,,,0.0,,0.0,,0.0
O=C(O)C1C2C=CC(C2)C1C(=O)NCCc1ccccc1,CID2933024,,,,0.0,,,0.0,,,0.0,,,,,,,0.0
COc1ccc(-n2c(SCC(=O)N3CCCC3)nc3c([nH]c4ccccc43)c2=O)cc1,CID2156119,0.0,,0.0,,,,,,,,0.0,,,,,0.0,0.0
COc1cccc(-n2c(SCC(=O)N3CCCC3)nc3c([nH]c4ccccc43)c2=O)c1,CID2156083,0.0,,,,,,,0.0,,,,,,,,0.0,
CC1CN(C(=O)Cc2ccc(-c3ccccc3)cc2)CC(C)O1,CID2961161,,,0.0,,,,,,,,,,,,,,
O=C(Cc1ccc(-c2ccccc2)cc1)N1CCOCC1,CID2265867,,,,,,,0.0,,,0.0,,,0.0,,0.0,,
CCn1c(=O)n(CC(=O)N(C)Cc2ccccc2)c(=O)c2ccccc21,CID3243978,,,,0.0,0.0,,,,,,,,,,,,
CCn1c(=O)n(CC(=O)NCc2ccccc2OC)c(=O)c2ccccc21,CID3242648,,,,,0.0,,0.0,,,,,,,0.0,,,
Cc1cccc(OCc2nnc(SCc3nc(=O)c4ccccc4[nH]3)o2)c1,CID2239011,0.0,0.0,,,0.0,,0.0,,,,0.0,,,,,,0.0
Cc1cccc(OCc2nnc(SCc3nc(=O)c4ccc(C(F)(F)F)cc4[nH]3)o2)c1,CID2562528,0.0,,,,0.0,,,0.0,,0.0,,,,,,,0.0
N#Cc1nc(COc2ccccc2)oc1N1CCC(Cc2ccccc2)CC1,CID661325,0.0,,,,,,0.0,0.0,,,,,,,,,
N#Cc1nc(COc2ccc(F)cc2)oc1N1CCC(Cc2ccccc2)CC1,CID661297,0.0,,0.0,,,,,0.0,,0.0,,,,,,,
Cc1nn(CC(=O)NCC2CCCO2)c(=O)c2ccccc12,CID661327,,,,0.0,,,,,,,,,,,,,
O=C(Cn1nc(C(=O)O)c2ccccc2c1=O)NCC1CCCO1,CID3000029,,,,,,,,,,,,,,,,0.0,
CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)cc2)SC1=S,CID2272115,,,,,,0.0,,,,,,,,,,,
C=CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)SC1=S,CID1714777,,,,,,0.0,,,,,,,,,,,
CCN1/C(=C2\OC(=S)N(C)C2=O)Sc2ccccc21,CID1728734,,,,,,,,,,,,,,0.0,,,
CCN1/C(=C2/OC(=S)N(C)C2=O)Sc2ccccc21,CID1728733,,,,,,0.0,,,,,,,,0.0,0.0,,
O=C(O)CSC1=NN/C(=C2/C=CC=CC2=O)N1Cc1ccccc1,CID5770360,,0.0,0.0,,,,,,,,,,,,,,
CCOC(=O)C(C)SC1=NN/C(=C2/C=CC=CC2=O)N1Cc1ccccc1,CID5770359,,,,0.0,,,,0.0,,,0.0,,,,,,
O=C(Cc1ccccc1)NNC(=O)Nc1cccc(Cl)c1,CID841948,,,,,,0.0,,,,,,,,,,,
O=C(Cc1ccccc1Cl)NNC(=O)Nc1ccccc1,CID849676,,,,,,,,,,,,,,,0.0,,
O=C(COc1ncnc2scc(-c3ccc(F)cc3)c12)NCc1ccco1,CID2085084,,,,,,,,,,0.0,,,,,,,
O=C(COc1ncnc2scc(-c3ccc(Cl)cc3)c12)NCc1ccco1,CID2085991,,,,,,,,,,0.0,0.0,0.0,,,,,
Cc1cc2c3c(c1C)C1(C(=O)N3C(C)(C)CC2C)C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2,CID2969084,,,,,,0.0,,,,,,,,,0.0,,
N#CC1=C(N)OC2=C(C(=O)CCC2)C12C(=O)N1CCCc3cccc2c31,CID4897334,,,,,,,,,,,,,,0.0,,,
CCCS(=O)(=O)N1CCCC(C(=O)N2CCOCC2)C1,CID3245152,,,0.0,0.0,,,,,,,,,,,,,
CS(=O)(=O)N1CCCC(C(=O)N2CCOCC2)C1,CID3238726,,,,0.0,,,,,,,,,,,,,
CC1CCN(c2nnc(N3CCC(C)CC3)c3ccccc23)CC1,CID5308355,,,,,,,,,,,0.0,,,,,,
c1ccc2c(N3CCCCC3)nnc(N3CCCCC3)c2c1,CID705271,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1nn(-c2sc(C(=O)OC)c(C)c2C(=O)OC)cc1O,CID1186737,,,0.0,,,,,0.0,,,,,,,,0.0,
CCOC(=O)c1cnn(-c2sc(C(=O)OCC)c(C)c2C(=O)OCC)c1N,CID2310181,,,,0.0,,,,,,,0.0,,,,,0.0,
COc1ccc(C(=O)n2cnc(N)n2)cc1,CID3235777,,,,0.0,,,,,0.0,,,,,,,,
CCCCCCOc1ccc(C(=O)n2cnc(N)n2)cc1,CID659941,,,,0.0,,,0.0,,,,,,,0.0,0.0,,
COc1ccc(N2C(=O)CSC2c2ccc3c(c2)OCO3)c(OC)c1,CID3235775,,,,0.0,,,,,,,,,,,,,
COc1ccc(N2C(=O)CSC2c2ccc3c(c2)OCO3)cc1,CID653068,,,,,,,,0.0,,,,,,,,,
CC(Oc1ccc(Cl)cc1Cl)c1nc(-c2ccc(NC(=O)c3cccnc3)cc2)no1,CID3242453,0.0,,,,,,,,,,,,0.0,,,,
Cc1cc(OCc2nc(-c3ccc(NC(=O)c4cccnc4)cc3)no2)ccc1Cl,CID5085030,,,,,,0.0,,,,,,,,,,,
CC1=NOC(=O)/C1=C/c1ccc(N(C)C)cc1,CID5333448,,,,,,0.0,,,,,,,,,,,
CCN(CC)c1ccc(/C=C2/C(=O)ON=C2C)cc1,CID718652,,,,,,,,,,,,,,0.0,,,
Cc1ccc(N/C=C2/C(=O)N(c3ccc4c(c3)OCO4)C(=O)c3ccccc32)cc1,CID6155590,,,,,,,,,1.0,,,,,,,,
O=C1/C(=C/Nc2cccc(O)c2)c2ccccc2C(=O)N1c1ccc2c(c1)OCO2,CID6890619,,,,,,0.0,,,,,,0.0,,,,,
CCCCc1nc(N2CCNCC2)c(C#N)c2c1CSC(C)(C)C2,CID623871,,,0.0,,,,,0.0,,,,,,,,,
CCc1nc(N2CCNCC2)c(C#N)c2c1CSC(C)(C)C2,CID619096,,,0.0,0.0,,,,0.0,,,,,,,,,
COc1ccc(C(=O)NC(=O)Nc2ncccc2C)cc1,CID888500,,,,,,0.0,,,0.0,0.0,,,,,,,
COc1ccc(C(=O)NC(=O)Nc2cc(C)ccn2)cc1,CID1540545,0.0,0.0,,0.0,,0.0,,0.0,0.0,,,0.0,,,,,
O=C(O)C1CCCCC1C(=O)Nc1ccc2c(c1)OCCO2,CID2862450,,,,0.0,,,0.0,,,,,,,0.0,,0.0,
CCNC(=O)NC1(C(=O)Nc2ccc3c(c2)OCCO3)CCCCC1,CID1444530,,,,,,,,,0.0,,,,,,,,
S=C(N/N=C/c1ccc(Cl)cc1)N1CCOCC1,CID829182,,,,,,,,,,,,,,,0.0,,
Cc1ccc(/C=N/NC(=S)N2CCOCC2)cc1,CID829184,,,,,,,,,,,,,,,0.0,,
CCOc1cc(CNn2cnnc2)cc(Br)c1OCC(=O)NC1CCCCC1,CID1017573,,,,,,,,,0.0,,0.0,,,,,,
CCOc1cc(CNn2cnnc2)ccc1OCC(=O)NC1CCCCC1,CID1017572,0.0,0.0,,,,,,,,,,,,,,,0.0
Cc1ccc(S(=O)(=O)C2(C(=O)NC3CCCCC3C)CC2)cc1,CID4110792,,,,,,,,,,,,,,,0.0,,
Cc1ccc(S(=O)(=O)C2(C(=O)N(C)C3CCCCC3)CC2)cc1,CID3236046,0.0,0.0,0.0,,,0.0,,0.0,0.0,0.0,0.0,,,,,,
Nc1nc(C(=O)N2CCOCC2)nn1S(=O)(=O)c1ccc(Cl)cc1,CID654162,,,,,,,,,0.0,,,,,,,,
Nc1nc(C(=O)N2CCOCC2)nn1S(=O)(=O)c1ccccc1,CID649541,,0.0,,,,,0.0,,,,,,,,,,
O=S(=O)(NCCc1ccccc1)c1ccc(Cl)nc1,CID822456,,,,,,,,,,,,,,0.0,,,
COc1ccc(CCN(C)S(=O)(=O)c2ccc(Cl)nc2)cc1OC,CID2552185,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)cc(NC(=O)CN2CCC(NC(=O)Cc3ccccc3)CC2)c1,CID3220756,,,,,,,,,,,,0.0,,,,,
Cc1ccc(NC(=O)CN2CCC(NC(=O)Cc3ccccc3)CC2)cc1C,CID3220753,,,,,,,,,,,,0.0,,,,,
COc1ccc2[nH]c(C)c(C(=O)CN3CCc4cc(OC)c(OC)cc4C3)c2c1,CID661651,,,,0.0,,,,,,,,,,,,,
CC(C(=O)c1c[nH]c2ccccc12)N1CCc2ccccc2C1,CID659686,0.0,,,,,,,0.0,,,,,,,,,
CCOc1ccc(N2C(=O)/C(=C/c3ccco3)N(C)C2=S)cc1,CID2180452,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(N2C(=O)/C(=C/c3ccc(C)o3)N(C)C2=S)cc1,CID2179260,,,,,,,,,,,,,,0.0,,,
C=CCn1c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nnc1-c1ccncc1,CID2481438,,,,,,,,,,,,,,,0.0,,
C=CCn1c(SCC(=O)c2c(N)n(CCC)c(=O)n(C)c2=O)nnc1-c1ccncc1,CID2467173,,,,,,,,,,,,,,,0.0,,
O=C1CCCC/C1=C/Nc1ccc2c(c1)OCO2,CID3130568,,,,0.0,,,0.0,,,0.0,0.0,,,,,0.0,
CC1CCC/C(=C\Nc2ccc3c(c2)OCO3)C1=O,CID5389686,,,0.0,,,0.0,,,,,,,0.0,,,,
Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)Nc1ccc2c(c1)OCO2,CID2531984,,0.0,0.0,,0.0,,0.0,,0.0,,0.0,,,,,,
Cc1nn(-c2ccccc2)c(Cl)c1C(=O)OC(C)C(=O)Nc1ccc2c(c1)OCO2,CID3406527,,,,,,0.0,,,,,,,,,,,
Cn1nc(C(F)(F)F)c2cc(NC(=O)OCc3ccc(F)cc3)sc21,CID1489069,,,,,,,,,0.0,,,,,,,,
COc1ccc(COC(=O)Nc2cc3c(C(F)(F)F)nn(C)c3s2)cc1,CID1489070,,,,,,,,,,0.0,,,,,,,
COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccncc2)cc1,CID2253984,,,,,,0.0,,,,,,,,,,,
O=C(N/N=C/c1ccncc1)/C(=C/c1ccccc1)NC(=O)c1ccccc1,CID2253161,,,,,,,,,,,,0.0,,,,,
Cc1ccc(COC(=O)c2nn(C)c(=O)c3ccccc23)cc1,CID2429100,,,,,,,,,,,,,,,0.0,,
Cn1nc(C(=O)OCc2ccc(Br)cc2F)c2ccccc2c1=O,CID2430649,,,,,,,,,,,,,,,0.0,,
Cc1ccc(Oc2cc([N+](=O)[O-])cc3c2C(=O)Nc2ccccc2O3)cc1,CID1279154,,,,,,,,,,,,,,,0.0,,
O=C1Nc2ccccc2Oc2cc([N+](=O)[O-])cc(Oc3ccccc3)c21,CID668639,,,,,,,,,,,,,,,0.0,,
CSc1ccc(C2C(C#N)=C(N)N(c3ccccc3)C3=C2C(=O)CCC3)cc1,CID3243973,,,,,,,,,,,,,0.0,,,,
COc1ccc(OC)c(N2C(N)=C(C#N)C(c3ccc(OC)c(O)c3)C3=C2CC(C)(C)CC3=O)c1,CID3242241,,,,,,,,0.0,,,,,,,,0.0,
Cc1ccc(-c2noc(/C=C/c3ccccc3)n2)cc1,CID5348621,,,,,,0.0,,,,,,,,,,,
COc1ccc(-c2noc(/C=C/c3ccccc3)n2)cc1,CID5348539,,,,,,0.0,,,,,,,,,,,
CCOC(=O)CSC1=C(C#N)C(=O)NC(c2ccc(OC)c(OC)c2)S1,CID660407,,,0.0,,0.0,0.0,,,,0.0,0.0,,,0.0,,,
COC(=O)CSC1=C(C#N)C(=O)NC(c2ccccc2)S1,CID3512464,,,,,,,,,,0.0,,,,,,,
CCOC(=O)C1CCCN(c2ccc(NC(=O)c3snc4c(=O)nc(C)[nH]c34)cc2)C1,CID3231223,,,,,,0.0,,,,,,0.0,,,,,
CCOC(=O)C1CCCN(c2ccc(NC(=O)c3snc4c(=O)nc[nH]c34)cc2)C1,CID655389,,,0.0,0.0,,,,,,,,,,,,0.0,
O=S(=O)(Cc1cccc(F)c1)c1c[nH]c2ccccc12,CID2157546,,,0.0,,,,0.0,0.0,,,,,0.0,,,,0.0
Cn1cc(S(=O)(=O)Cc2ccc(F)cc2)c2ccccc21,CID2157568,,,,,,,,0.0,,,,,,,,,
COCCn1c(C)cc(C(=O)CSc2nc(C)nc3sc4c(c23)CCC4)c1C,CID2215707,0.0,,0.0,,,,,,,0.0,,,0.0,,,,
COCCn1c(C)cc(C(=O)CSc2ncnc3sc4c(c23)CCC4)c1C,CID2951204,,,0.0,,,,,,,0.0,,,0.0,,,,
Cc1nc(-c2ccc(NC(=O)c3ccccc3)cc2)cs1,CID785022,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C(=O)Nc2ccc(-c3csc(C)n3)cc2)cc1,CID2501115,,,,,,,,,,,,,,0.0,,,
CCC1C(=O)Nc2ccccc2N1C(=O)c1ccc(Cl)nc1,CID5149897,,,,,,,,,,,,,,,0.0,,
O=C1CN(C(=O)c2ccc(Cl)nc2)c2ccccc2N1,CID2458790,,,,,,,,,,,,,,,0.0,,
Cc1ccc(-n2nc(N)c3c(=O)oc(N(C)C)nc32)cc1,CID1477066,,,,,,,,,,,,,,0.0,,,
CN(C)c1nc2c(c(N)nn2-c2ccc(Cl)cc2)c(=O)o1,CID1477068,,,,,,,,,,,,,,,0.0,,
CCOC(=O)C1=C(CSCc2ccco2)NC(=O)NC1c1cc(C)ccc1C,CID2975515,,,0.0,,0.0,,0.0,,,,0.0,,,,,,
COC(=O)C1=C(CSCc2ccco2)NC(=O)NC1c1cc(C)ccc1C,CID2979526,,,,,0.0,,,,,,,,,,,,
O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl)NCC1CCCO1,CID2957765,,,,,,,,,0.0,,0.0,,,,,,
O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NCC1CCCO1,CID2950893,,,,,0.0,,0.0,,,,,,0.0,,,,
COc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2Cc2ccco2)c(OC)c1,CID654820,0.0,,,,,,,0.0,,,0.0,,0.0,,,,0.0
COc1cc(Cl)c(C)cc1NC(=O)CSc1nnc(-c2cccnc2)n1Cc1ccco1,CID662733,,,0.0,,0.0,0.0,,,0.0,,0.0,0.0,,,,,
O=C(Nc1ccccc1Cl)c1cccc(NS(=O)(=O)c2ccccc2)c1,CID1020088,,,,,,,,,,,,0.0,,,,,
Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3cc(C)cc(C)c3)ccc2Cl)cc1,CID1020144,,,,,,,,,,,,0.0,,,0.0,,
Cc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)o1,CID1328586,,,,,,0.0,,,,,,,,0.0,,,
O=C1/C(=C\c2ccco2)SC(=S)N1Cc1ccccc1,CID1556072,,,,,,1.0,,,,,,,,,,,
CC1=NN(C(N)=S)C(=O)C1/N=N/c1ccccc1C,CID3106471,,,,,,,,,,0.0,,,,,,,
CC1=NN(C(N)=S)C(=O)C1/N=N/c1c(C)cc(C)cc1C,CID3106402,,,,,,,,,,0.0,,,,,,,
C/C(=C\C(=O)c1ccc(F)cc1)Nc1ccc(N2CCOCC2)cc1,CID5739604,,,0.0,0.0,,,,,,,,,0.0,,,,
C/C(=C\C(=O)c1ccccc1)Nc1ccc(N2CCOCC2)cc1,CID5739491,,,,,,,,,,0.0,0.0,,,,,,
O=C(c1cc(C2CC2)on1)N1CCN(c2ccc(F)cc2)CC1,CID5307250,,,0.0,0.0,,,,0.0,,,,,,,,,
O=C(c1cc(C2CC2)on1)N1CCN(c2ccccc2)CC1,CID6625198,,,,,,,,,,,,,,0.0,,,
CN1CCN(C(=O)c2ccc(-c3nn(C)c(=O)c4ccccc34)cc2)CC1,CID2210988,,,,,,,,0.0,,,,,,,,0.0,
Cn1nc(-c2ccc(C(=O)N3CCN(CCO)CC3)cc2)c2ccccc2c1=O,CID1291171,,,,,,,,,0.0,,,,,,,,
O=C(COc1ccccc1/C=C1\SC(=O)NC1=O)Nc1ccccc1,CID2151850,,,,,,,,,,,,,,0.0,,,
O=C(COc1ccccc1/C=C1\SC(=O)NC1=O)Nc1ccc(F)cc1,CID1416734,,,,,,,,,,,,,,0.0,,,
Cn1c(=O)n(CC(=O)NC2CCCCC2)c(=O)c2ccccc21,CID3241932,,0.0,0.0,,0.0,,,,,,,,,,,,0.0
CCn1c(=O)n(CC(=O)NC2CCCC(C)C2C)c(=O)c2ccccc21,CID3243331,,,,,0.0,0.0,,,,,,,,,,,
CCc1n[nH]c2cccc3c(OC)ccc1c23,CID2876479,,,,,,,,,,,,,,0.0,,,
COc1ccc2c(C)n[nH]c3cccc1c32,CID644992,,,,,,,0.0,1.0,,,,,,,,0.0,
O=C(Nc1ccc(Cl)cc1)Nc1ccccc1C(=O)NCc1ccco1,CID1131627,0.0,,,,,,0.0,,,,,,,,,,
O=C(Nc1ccccc1)Nc1ccccc1C(=O)NCc1ccco1,CID893563,,,,,,,,,,,0.0,0.0,,,,0.0,0.0
CC1Cc2ccccc2N1C(=O)c1cccnc1,CID2970589,,,,,,,0.0,,,,,,0.0,,,0.0,
O=C(c1cccnc1)N1CCc2ccccc21,CID669080,,,,,,,,,,,,,,0.0,0.0,,
COc1cccc(-n2cnc3sc4c(c3c2=O)CCC4)c1,CID899013,,,,,,,,,,,,,,0.0,,,
COc1ccc(-n2c(SCC(N)=O)nc3sc4c(c3c2=O)CCC4)cc1,CID1069519,,,,,,,,,,,,,,0.0,,,
Cc1nn(-c2ccccc2)c(Cl)c1/C=C1\SC(=S)N(C)C1=O,CID1922497,,,,,,,,,,,,,,0.0,,,
Cc1nn(-c2ccccc2)c(Cl)c1/C=C1\SC(=S)NC1=O,CID1381466,,,,,,,,,0.0,,,,,0.0,,,
Cc1ccc(NC(=O)c2oc3c(c2C)C(=O)CC(C)(C)C3)cc1,CID1243050,,,,,0.0,,0.0,0.0,,,0.0,,,0.0,,0.0,0.0
Cc1c(C(=O)Nc2ccccc2)oc2c1C(=O)CC(C)(C)C2,CID972766,,,,,0.0,,0.0,,,,0.0,,0.0,,,0.0,
O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C1CCCO1,CID2941429,0.0,,,,,,,0.0,,,0.0,0.0,,,,,
Cc1ccc2nc(-c3ccc(NC(=O)C4CCCO4)cc3)[nH]c2c1,CID2975207,,,,,,,,,,,0.0,0.0,,,,,
Clc1ccccc1CSc1nnc(-c2ccco2)c(-c2ccco2)n1,CID6400942,,0.0,,0.0,,1.0,,,,,,,,,,,
c1ccc(CSc2nnc(-c3ccco3)c(-c3ccco3)n2)cc1,CID2940938,0.0,,,,,,0.0,0.0,,,,,,,,0.0,
CN1C(c2ccc(F)cc2)=CS/C1=C(\C#N)c1nnc2n1-c1ccccc1SC2,CID2330332,,0.0,,,0.0,0.0,0.0,,,,,,,,,,
CCN1C(c2ccc(F)cc2)=CS/C1=C(\C#N)c1nnc2n1-c1ccccc1SC2,CID2324715,,,,0.0,0.0,0.0,,,,,,0.0,,,,,
CCOc1ncccc1C(=O)OCC(=O)Nc1ccc2c(c1)OCO2,CID2338127,,,,,,,,,,,,,,,0.0,,
O=C(COC(=O)c1cccnc1)Nc1ccc2c(c1)OCO2,CID1088704,,,,,,,,,,,,,,,0.0,,
Cc1ccc(S(=O)(=O)NC(C)(C)CSc2nnc(N)s2)cc1,CID2198048,,,,,0.0,,,,0.0,0.0,,,,,,,
Cc1ccc(S(=O)(=O)NCCSc2nnc(N)s2)cc1,CID2197756,,,,,0.0,,0.0,,0.0,,,,,,,,
O=C1CCCN1CC(O)CS(=O)(=O)c1ccccc1,CID2726018,,,,,,,,,,,,,,,0.0,,
Cc1ccc(S(=O)(=O)CC(O)CN2CCCC2=O)cc1,CID2726011,,,,,,,,,,,,0.0,,,,,
CCSC1=NCCN1S(=O)(=O)c1ccc2ccccc2c1,CID2148557,,,,,,,,,,,,,,0.0,0.0,,
CSC1=NCCN1S(=O)(=O)c1ccc2ccccc2c1,CID2148547,,,,,,,,,,,,,,0.0,0.0,,
CC(=O)c1c(C)[nH]c(C(=O)CSc2ncnc3sc(-c4ccccc4)cc23)c1C,CID2161761,,,,,,,,,,,,,,0.0,0.0,,
COC(=O)c1c(C)[nH]c(C(=O)CSc2ncnc3sc(-c4ccccc4)cc23)c1C,CID1189892,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccc2[nH]c3c(c2c1)CN(C(=O)CN1CCSCC1)CC3,CID659625,,,,0.0,,,,0.0,,,0.0,,,,0.0,0.0,
O=C(CN1CCSCC1)N1CCc2[nH]c3ccc(Br)cc3c2C1,CID659929,0.0,,,,,,,,0.0,,0.0,,,0.0,,0.0,
CSCCC(NC(=O)COc1ccccc1)C(=O)OCC(=O)c1cc2ccccc2o1,CID3395163,,,,,,,,,,,,0.0,,,,,
CC(NC(=O)COc1ccccc1)C(=O)OCC(=O)c1cc2ccccc2o1,CID2998385,,,,,,,0.0,,,,,,,,,,
CCOC(=O)CSc1cc(CSc2ccccc2)nc(-c2ccccc2)n1,CID2767421,,,,,,,,,,,,0.0,,,,,
Clc1cc(CSc2ccccc2)nc(-c2ccccc2)n1,CID1486730,,,,,,,,,,,,,,,0.0,,
COc1ccc(NC(=O)Nc2ncn(Cc3cccc(C(F)(F)F)c3)n2)cc1OC,CID1297913,0.0,,,,0.0,,,,,,,,,,,,0.0
CC(=O)c1ccc(NC(=O)Nc2ncn(Cc3cccc(C)c3)n2)cc1,CID2207551,,0.0,,0.0,,,0.0,,,,,,,,,,
C=CCn1c(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs/c1=N\c1ccccc1,CID2023284,,,,,,0.0,,,0.0,,,,,0.0,,,
COCCCn1c(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs/c1=N\c1ccccc1,CID1907990,,,,,,,,,0.0,,,,,,,,
CCCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3cc(C)on3)nnc12,CID2570052,,0.0,,,0.0,,,,,,0.0,,0.0,,,,
C=CCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3cc(C)on3)nnc12,CID2562743,,,,0.0,0.0,,0.0,0.0,,,,,0.0,0.0,0.0,,
CC(OC(=O)CCCN1C(=O)c2ccccc2C1=O)C(=O)Nc1ncc(Cl)cc1Cl,CID2998074,0.0,,,,,,,,,,,,0.0,,,,
O=C(COC(=O)CCCN1C(=O)c2ccccc2C1=O)Nc1ncc(Cl)cc1Cl,CID2375965,0.0,,,,,,,,,,,,,,,,
CC(C)C(NC(=O)C1CCC(C(C)(C)C)CC1)C(=O)NCc1cccnc1,CID9550204,,,,,,,,,,,,0.0,,,,,
CCC(C)C(NC(=O)C1CCC(C)CC1)C(=O)NCc1cccnc1,CID3239858,,,,,0.0,,0.0,0.0,,0.0,,,,,0.0,,
N/C(=N\OC(=O)c1ccco1)c1cccc(Br)c1,CID9550203,,,,,,,,,,,,,,0.0,,,
Cc1cccc(/C(N)=N/OC(=O)c2ccco2)c1,CID5346031,,,,,,,,,,,0.0,,,,,,
COC(=O)c1cc2ccsc2n1Cc1nc(-c2ccc(OC)cc2)oc1C,CID3236501,0.0,,0.0,,,,,0.0,,0.0,0.0,,0.0,,,,
COC(=O)c1cc2ccsc2n1Cc1nc(-c2cccc(Cl)c2)oc1C,CID9551336,,,,,,,,,,0.0,,,,,,,
O=C(CCS(=O)(=O)c1cccc2nonc12)NCCc1ccccc1,CID3245284,,,,,,,,,,,,,0.0,,,,
O=C(CCS(=O)(=O)c1cccc2nonc12)NCCc1ccccc1Cl,CID3235669,,0.0,0.0,,,,,,0.0,,,,0.0,,,,
COc1cccc(-c2cc(C(=O)Nn3cnnc3)c3ccccc3n2)c1,CID868804,,0.0,,,,,,0.0,,,,,0.0,,0.0,,
CCc1ccc(-c2cc(C(=O)Nn3cnnc3)c3ccccc3n2)cc1,CID868748,,,,,,0.0,,,,,,0.0,,,,,
CN(C)S(=O)(=O)N(CCN1CCOCC1)Cc1ccccc1F,CID665482,,0.0,,,,,,,,0.0,,,,,,,
COc1cccc(CNCCN2CCOCC2)c1OC,CID3156003,,,,,,,,,,,,0.0,,,,,
Cc1nc(N2CCN(C)CC2)c2sc(=S)n(C)c2n1,CID718624,,,,,,0.0,,,,0.0,,,,,,,
CCN1CCN(c2nc(C)nc3c2sc(=S)n3C)CC1,CID718626,0.0,0.0,,0.0,,,0.0,,,0.0,,,,,,,
COc1ccc(-c2nc(CSCC(=O)NCc3ccco3)c(C)o2)cc1,CID3240944,0.0,,,,0.0,,,0.0,,,,,,,,,
CCOc1ccc(-c2nc(CSCC(=O)NCc3ccco3)c(C)o2)cc1,CID3237327,0.0,,,,0.0,,,0.0,,,,,,,,,
COc1ccccc1/C=C/C=N/n1c(COc2ccccc2)n[nH]c1=S,CID11958897,,,,,,0.0,,,,,,,,,,,
CC(/C=N/n1c(COc2ccccc2)n[nH]c1=S)=C\c1ccccc1,CID1583620,,,,,,0.0,,,,,,,,,,,
O=C(Cc1cccs1)Nc1nnc(COc2ccccc2)s1,CID838732,,,,,,,,,,0.0,0.0,,,,,,
Cc1ccc(OCc2nnc(NC(=O)Cc3cccs3)s2)cc1,CID2201335,0.0,,,0.0,,,0.0,,0.0,0.0,0.0,,0.0,0.0,,,
CS(=O)(=O)N1CCCC(C(=O)N2CCC3(CC2)OCCO3)C1,CID3245893,,,0.0,,,,0.0,0.0,0.0,0.0,,,0.0,,,,
CCCS(=O)(=O)N1CCCC(C(=O)N2CCC3(CC2)OCCO3)C1,CID3244292,,,,0.0,,,,,,0.0,0.0,,,,,0.0,
CCOc1ccccc1C(=O)NC1CCN(Cc2nnnn2C2CCCC2)CC1,CID650091,,,0.0,,,,,,,,,,0.0,,0.0,,0.0
Cc1ccccc1C(=O)NC1CCN(Cc2nnnn2C2CCCC2)CC1,CID1445102,,,,,,,,,,,,,,0.0,,,
N=c1nc(SCCC(=O)O)ss1,CID654478,,,,,0.0,,,,0.0,,,,,,,,
CSc1n/c(=N/C(C)=O)ss1,CID658131,,,0.0,,0.0,,,,,,,,0.0,,,,
COc1ccc(NC(=S)N(C)CC2COc3ccccc3O2)cc1,CID4838964,,,,,,,,,,,,,,,0.0,,
CCN(CC1COc2ccccc2O1)C(=S)Nc1ccccc1,CID2966823,,,,,,0.0,,,,,,0.0,,,,,
Cc1cc(C(=O)Nc2nnc(C(F)(F)F)s2)no1,CID1245970,,,,,0.0,,,,,,,,,,,,
CCSc1nnc(NC(=O)c2cc(C)on2)s1,CID1247760,0.0,0.0,0.0,,,,,,,,0.0,,,,,,
Cc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)n1-c1ccc2c(c1)OCCO2,CID3238034,0.0,,0.0,,,,,,,,,,0.0,,,0.0,0.0
CCc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)n1-c1ccc2c(c1)OCCO2,CID3236186,0.0,,0.0,,0.0,,,,,,,,0.0,,,0.0,
Cc1cc(C(=O)OCC(=O)N2c3ccccc3CC2C)c(C)o1,CID2997857,,,,0.0,,,,,0.0,,,,0.0,,,0.0,
Cc1cc(C(=O)OCC(=O)N2CCc3ccccc32)c(C)o1,CID2369751,,,,,,,1.0,,0.0,0.0,0.0,,0.0,0.0,0.0,0.0,
O=C(COC(=O)CCc1c[nH]c2ccccc12)NC1CCS(=O)(=O)C1,CID2997858,,,,,,,,0.0,0.0,,,,,0.0,,,
CC(C)CN(C(=O)COC(=O)CCc1c[nH]c2ccccc12)C1CCS(=O)(=O)C1,CID2998852,,,,,,,0.0,,0.0,0.0,,,,,,0.0,
CCOc1ccc2nc(NC(=O)C3CCCN(S(=O)(=O)c4cccs4)C3)sc2c1,CID3241548,,,,,0.0,,,,0.0,,,,,,,,
COc1ccc2nc(NC(=O)C3CCCN(S(=O)(=O)c4cccs4)C3)sc2c1,CID3244802,,,,,0.0,,,,,,,,,,,,
Cc1ccc(-c2nnc(N(C)C(=O)c3cccnc3)s2)cn1,CID653673,,0.0,0.0,0.0,0.0,,,,,,,,,,,0.0,
CN(C(=O)c1cccnc1)c1nnc(-c2cccnc2)s1,CID651223,,0.0,0.0,,,,,,,,,,0.0,,,,0.0
Cc1ccc(-n2c(Cn3c(C)nc4ccccc43)n[nH]c2=S)cc1,CID901880,,,,,,,,,,,,,,,0.0,,
S=c1[nH]nc(Cn2cnc3ccccc32)n1-c1ccccc1,CID726097,,,,,,,,,,,,,,0.0,,,
CC1(c2ccccc2)NC(=O)N(CC(=O)NC(=O)NC2CCCC2)C1=O,CID2998996,,,,,,,,0.0,,,,,,,,0.0,
Cc1ccc(C2(C)NC(=O)N(CC(=O)NC(=O)NC3CCCC3)C2=O)cc1,CID2997653,,0.0,0.0,,,,,,,0.0,,,0.0,,,0.0,
Cc1ccc(-c2nc(CSc3nc4ccccc4c(=O)n3CCO)cs2)cc1,CID2561965,,,,,,,,,,,,,,0.0,,,
CCCn1c(SCc2csc(-c3ccccc3)n2)nc2ccccc2c1=O,CID2339607,,,,,,,,,,,,,,0.0,0.0,,
Cc1cnc(C(=O)OCC(=O)NC(=O)NC(C)C)cn1,CID2367049,,0.0,,,,,,0.0,,,0.0,,0.0,,,,
COC(=O)c1nc(C(=O)OC)c(C(=O)OC)nc1C(=O)OC,CID291621,,,,,,,,0.0,,,,,,,0.0,0.0,
COCCC/N=C(\c1ccco1)n1c(=S)nc(-c2ccco2)n(CCCOC)c1=S,CID1583933,,,0.0,,,,,,,,0.0,,0.0,,,,0.0
C/N=C(\c1ccco1)n1c(=S)nc(-c2ccco2)n(C)c1=S,CID658107,0.0,,,0.0,,,0.0,,0.0,,,,,,0.0,,0.0
Cc1ccc(Cn2ccc(NC(=O)CCSc3nc(-c4ccco4)cc(C(F)(F)F)n3)n2)cc1,CID2219259,,,,,0.0,,,,,0.0,,,,0.0,,,
Cc1ccccc1Cn1ccc(NC(=O)CCSc2nc(-c3ccco3)cc(C(F)(F)F)n2)n1,CID1164869,,,,,0.0,,,,,,,,,,,,
NNc1nc(Nc2ccccc2)nc(N2CCCCC2)n1,CID818593,,,,,,,,,,,0.0,,,,0.0,,
COc1nc(Nc2cccc(C)c2)nc(N2CCCCC2)n1,CID653671,0.0,0.0,0.0,,,,,,,,,0.0,,,,0.0,
Cc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccco2)c(C)c1,CID1632370,,,,,,0.0,,,,,,,,,,,
Cc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccco2)cc1C,CID1789335,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1c(C)n(C)c2ccc(O)c(CN3CCCCC3)c12,CID660121,,,,0.0,,,,,,,,0.0,,,,,
CCOC(=O)c1c(C)n(C)c2ccc(O)c(CN3CCC(C)CC3)c12,CID886493,0.0,,,0.0,,,,,,,,0.0,,,,,
CC(=O)Nc1ccccc1-c1nnn(CC(=O)Nc2ccc3c(c2)OCCO3)n1,CID3192798,,,,,,,,,,,,,,0.0,,,
CC(C(=O)Nc1ccc2c(c1)OCCO2)n1nnc(-c2ccccc2)n1,CID568713,,,,,,,,,,,,,,0.0,,,
COC1=CC(=O)/C(=C2\NC(N)=NC=C2c2csc(C)n2)C=C1,CID5397400,,0.0,,,,,,,,,,,,,,,
COC1=C(OC)C(=O)/C(=C2\NC(N)=NC=C2c2csc(C)n2)C=C1,CID5425541,,,,,,,,,,,,,,0.0,,,
O=C(c1cc2c(s1)CCCC2)n1cccn1,CID1246517,,0.0,,0.0,,,,,,0.0,,0.0,,,0.0,,
Cc1cc(C)n(C(=O)c2cc3c(s2)CCCC3)n1,CID2942732,,,,,,0.0,,,,,,0.0,,,,,
O=C(C1CCCN(S(=O)(=O)c2cccc3nsnc23)C1)N1CCc2ccccc21,CID3235633,0.0,,,,0.0,,0.0,,,,,,,,,0.0,0.0
CC1Cc2ccccc2N1C(=O)C1CCCN(S(=O)(=O)c2cccc3nsnc23)C1,CID3240186,0.0,,0.0,,,0.0,,,,,,,,,,,
O=C(COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1nc(-c2ccccc2Cl)cs1,CID2388559,,,,,,,,,0.0,,,,,,,,
Cc1ccc(-c2csc(NC(=O)COC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)n2)cc1,CID2388844,,,,,,0.0,,,,,0.0,,,,,,
CCOC1(C(F)(F)F)NC(=O)N(Cc2ccc(OC)cc2)C1=O,CID3236822,,,,0.0,,,,,,,,,,,,,0.0
O=C1CNC(=O)N1Cc1ccc(Br)cc1,CID975197,,,,,,,0.0,,,,,,,,0.0,,
COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)C3c3ccncc3)oc12,CID663495,,,,,,,,,0.0,0.0,,,,,,,
CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)C1c1ccncc1,CID663903,,,,,,,,,0.0,,,0.0,0.0,,,,0.0
CC(NC(=O)CSc1nnc(COc2ccccc2)o1)c1ccccc1,CID663497,0.0,,0.0,,0.0,0.0,0.0,0.0,,,,,,,,,0.0
Cc1cccc(C)c1OCc1nnc(SCC(=O)NCc2ccccc2)o1,CID1308498,0.0,,0.0,,0.0,,,,,,,,,,,0.0,0.0
CS(=O)(=O)N(CCc1ccccc1)CC(=O)N1CCN(c2ccccc2F)CC1,CID1021967,,,0.0,,,,,,,,0.0,,0.0,,0.0,,0.0
CS(=O)(=O)N(CCc1ccccc1)CC(=O)N1CCN(c2ccccc2)CC1,CID1021966,,0.0,,,0.0,,,,,,0.0,,0.0,,,0.0,
N#Cc1nc(-c2ccc(F)cc2)oc1NCCN1CCOCC1,CID693664,,,0.0,,,,,0.0,,,,,0.0,,,,
N#Cc1nc(-c2ccccc2F)oc1NCCN1CCOCC1,CID892575,,,,,,,0.0,,,,,0.0,,,,,
CCc1ccc(S(=O)(=O)NCCc2cn3ccsc3n2)s1,CID5309983,,0.0,0.0,,,,0.0,,,,,,,,,0.0,
Cc1csc2nc(CCNS(=O)(=O)c3cccs3)cn12,CID5310053,,,,,,,,,,,,,0.0,,,,
Cc1ccc(C(=O)N/C(=C\c2ccc(F)cc2)C(=O)NCCCN2CCOCC2)cc1,CID2891523,,,,,,0.0,,,,,,,,,,,
COc1ccc(/C=C(\NC(=O)c2ccc(Cl)cc2)C(=O)NCCCN2CCOCC2)cc1OC,CID2891740,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1cc2sc(C)cc2n1CCCN1C(=O)c2ccccc2C1=O,CID1438980,,,,,,,,,0.0,,,,,0.0,,,
CCOC(=O)c1cc2sccc2n1CCCN1C(=O)c2ccccc2C1=O,CID646825,,,,,,,0.0,0.0,0.0,0.0,,0.0,0.0,,,,
N#Cc1ccc(CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1,CID1264530,0.0,0.0,,,0.0,,,,,,0.0,,,,,0.0,
CCOc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2cccnc2)cc1,CID662145,0.0,,0.0,,0.0,,,,,,,,,,0.0,,
Cn1c(=O)c2c(nc(NC3CCCCC3)n2Cc2ccccc2)n(C)c1=O,CID1146989,0.0,0.0,0.0,0.0,,,0.0,0.0,,0.0,0.0,,,,0.0,,0.0
Cn1c(=O)[nH]c(=O)c2c1nc(NC1CCCCC1)n2Cc1ccccc1,CID665527,,0.0,,,,,,0.0,,,,,,,,,0.0
COc1cccc(N2CCN(Cc3ccsc3)CC2)c1,CID782338,,,,,,,,,,,,0.0,,,,,
COc1ccccc1N1CCN(Cc2ccsc2)CC1,CID765057,,0.0,0.0,,0.0,0.0,,,,,,,,,,,
Cc1ccnc(N2C(=O)OC(C)(C)C2(C)O)c1,CID3243236,,,,,,,,,,,,,0.0,,,,
CC1(C)OC(=O)N(c2ccccn2)C1(C)O,CID3245466,,,,,,,0.0,,,,,,,,,,
O=C(NCCc1ccccc1)c1nc2n(Cc3ccccc3Cl)[nH]nc-2c(=O)n1,CID647637,0.0,0.0,0.0,,,,0.0,,,,,,,,,,
COc1ccc(Cn2[nH]nc3c(=O)nc(C(=O)NCCc4ccc(F)cc4)nc2-3)cc1OC,CID6324549,,,,,,,0.0,,,,,,,,0.0,,
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccccn1,CID1632235,,,,,,,,,,,,,,0.0,,,
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccccn1,CID1632232,,,,,,,,,,,,,,0.0,,,
COc1ccc2cc(CCNC(=O)c3c(-c4ccccc4Cl)noc3C)c(=O)[nH]c2c1,CID4682896,0.0,,,,,,,,,,,,,,,0.0,
Cc1cc2cc(CCNC(=O)c3c(-c4ccccc4Cl)noc3C)c(=O)[nH]c2cc1C,CID4250213,0.0,,,,,,0.0,,,,,,0.0,,,,
CC(C)(C)NC(=O)Cn1c(SCC(=O)NCc2cccs2)nc2ccccc21,CID651129,,,0.0,,0.0,,,,0.0,0.0,,,,,,0.0,
CN(Cc1cccs1)C(=O)CSc1nc2ccccc2[nH]1,CID2467959,,,,,,,,,,,,,,0.0,0.0,,
O=C1CCC(C(=O)N(c2ccccc2)C2(C(=O)NC3CCCCC3)CCCCC2)N1,CID3239078,,,0.0,,,,,,,0.0,,,,,,,0.0
Cc1ccc(N(C(=O)C2CCC(=O)N2)C2(C(=O)NC3CCCCC3)CCCCC2)cc1,CID3240491,,,,,,,,,,0.0,,,,,,,0.0
CCOC(=O)C1=C(N)Oc2cc(C)oc(=O)c2C1c1cccnc1,CID658067,0.0,,,0.0,0.0,,,,,,,,,,,,0.0
COC(=O)C1=C(N)Oc2cc(C)oc(=O)c2C1c1cccnc1,CID665961,0.0,,,0.0,0.0,,0.0,,,0.0,,,0.0,,,,0.0
Cc1cc(C(=O)Nc2cccnc2)on1,CID5309082,,0.0,,,,,,,,,,,,,,,
Cc1cc(C(=O)Nc2cccnc2Cl)on1,CID9551489,,,,,,,,,,,,0.0,,,,,
CCCCNC(=O)c1ccc2c(c1)N(CC)C(=O)c1ccccc1S2(=O)=O,CID5308932,,,,0.0,,,,,,,,,,,,,
CCCCN(C)C(=O)c1ccc2c(c1)N(CC)C(=O)c1ccccc1S2(=O)=O,CID5307251,,,,0.0,,,,0.0,,0.0,0.0,,,,,,
COc1cccc(OC2=CNN/C2=C2\C=CC(=O)C=C2O)c1,CID5389780,,,,,,,,0.0,,0.0,,,,,,,
CCCc1ccc(OC2=CNN/C2=C2\C=CC(=O)C=C2O)cc1,CID5732042,,,,0.0,,0.0,,,,,,,,,,,
Cc1cccc(N2C(=O)NC(=O)/C(=C/NCc3cccnc3)C2=O)c1C,CID5389786,,,,,,,,0.0,,,,,0.0,0.0,,,
C/C(NCc1cccnc1)=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O,CID5389570,,,,,,,,0.0,,,,,0.0,,,,
O=C(NN1C(=O)/C(=C/c2cccnc2)SC1=S)C(c1ccccc1)c1ccccc1,CID1591958,,,,,,0.0,,,,,,,,0.0,,,
O=C(NN1C(=O)/C(=C\c2cccnc2)SC1=S)C(c1ccccc1)c1ccccc1,CID1591961,,,,,,,,,,,,,,0.0,,,
CCOC(=O)N1CCC(NC(=O)CCCN2C(=O)CSc3ncccc32)CC1,CID3245176,,0.0,,,,,,,,,,,,,,0.0,
CCOC(=O)N1CCC(NC(=O)CCCN2C(=O)CSc3nc(C)cc(C)c32)CC1,CID3241553,,,,,,,,0.0,0.0,,,,,,,0.0,0.0
Cc1ccc(Cl)c2c1NC(=O)/C2=C1/NC(=S)NC1=O,CID5413620,,,,,,,,,,,,,,0.0,,,
O=C1NC(=S)N/C1=C1/C(=O)Nc2ccccc21,CID5546223,,,,,,,,,,,,,,0.0,,,
CCCCN(CC)CCCNC(=O)Cn1nc(Cc2ccncc2)c2ccccc2c1=O,CID3243780,,0.0,,,,,,0.0,,,,,,,,,
CN(CCC#N)C(=O)Cn1nc(Cc2ccncc2)c2ccccc2c1=O,CID5309624,,,,,,0.0,,,,,,,,,,,
Cc1noc(C)c1COc1ccc(C(=O)NCC2CCCO2)cc1,CID4883236,,,,,,,,,,0.0,,,,,,,
COc1cc(C(=O)NCC2CCCO2)ccc1OCc1c(C)noc1C,CID2999265,,,,,,,0.0,,,,,,0.0,,,,
COc1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)cc1,CID2489979,,,,,,,,,,,,,,,0.0,,
Cn1nc(-c2ccccc2)c(C(=O)Nc2ccc(Cl)cc2)c1Cl,CID1476820,,,,,,0.0,,,,,,,,,,,
CC(C)(C)n1nnnc1CN1CCN(C(c2ccccc2)c2ccccc2)CC1,CID1443785,,,,,,,,,,0.0,,,,,,,
CCC(C)(C)n1nnnc1CN1CCN(C(c2ccccc2)c2ccccc2)CC1,CID3209083,,,,,,,,,,,,0.0,,,,,
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CC3(C)OCCO3)c2C)c(C)c1,CID1117107,,,,,,,,,0.0,,,0.0,,,,,
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CC3(C)OCCO3)c2C)cc1,CID1117106,,,,,,,,,0.0,,,0.0,,,,,
Cc1onc(-c2ccccc2)c1C(=O)n1cc(Br)cn1,CID753182,,,,,,,,,0.0,,0.0,,,,,,
Cc1onc(-c2ccccc2)c1C(=O)n1cccn1,CID757862,,0.0,0.0,0.0,,,,,,,,,,,,,
c1ccc(CCNc2nnnn2-c2ccccc2)cc1,CID2499895,,,,,,,,,,,,0.0,,,,,
Fc1ccccc1CCNc1nnnn1-c1ccccc1,CID644714,,,0.0,,,,,0.0,,0.0,,,,,,,
Cc1nc2nc(SCC(=O)NCCN3CCOCC3)nn2c(C)c1Cc1ccccc1,CID9551433,,,,,,,,,,0.0,,,,,,,
Cc1ccc(Cc2c(C)nc3nc(SCC(=O)NCCN4CCOCC4)nn3c2C)cc1,CID9550395,,,,,,,,,,,0.0,,,,,,
CCOc1ccc(NC(=O)CCn2c(=O)[nH]c3ccsc3c2=O)cc1,CID9551437,,,,,,0.0,,,,,,,,,,,
COc1cc(NC(=O)CCn2c(=O)[nH]c3ccsc3c2=O)cc(OC)c1,CID2134608,,,0.0,,,,,,0.0,,,,,0.0,,0.0,
CCN1CCN(Cc2c(O)ccc3c2O/C(=C\c2ccc(C)cc2)C3=O)CC1,CID7243309,,,,,,,,,,,,,,0.0,,,
Cc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCN(C)CC3)C2=O)cc1,CID7198016,,,,,,,,,,,,,,,0.0,,
O=C(NC1CCS(=O)(=O)C1)Oc1ccccc1,CID2897509,,,,,,,,,0.0,,0.0,,,,,,
Cc1ccc(OC(=O)NC2CCS(=O)(=O)C2)cc1C,CID663885,,,0.0,0.0,,,,,0.0,,,,,,0.0,0.0,
O=C(Oc1cccc2c(O)cccc12)c1ccccc1,CID646429,,,,,,,0.0,,0.0,,,,,0.0,,0.0,
COc1ccc(C(=O)Oc2cccc3c(OC)ccc(C=O)c23)cc1,CID877265,,,,,,0.0,,,,,,,,,,,
CCN(CC)S(=O)(=O)c1cc(NC(=O)CSc2nc3c(cc2C#N)C(=O)CC(C)(C)C3)ccc1C,CID4432356,,,,,,,,,,,,,,0.0,,,
CN(C)S(=O)(=O)c1cccc(NC(=O)CSc2nc3c(cc2C#N)C(=O)CC(C)(C)C3)c1,CID4685221,,,,,,,,,,,,,,,0.0,,
O=C(COc1cccc2cccnc12)N1CCc2ccccc2C1,CID651089,0.0,,0.0,,0.0,,,,,,,,,,,,
O=C(COc1c(Br)cc(Br)c2cccnc12)N1CCc2ccccc2C1,CID2389139,,,,,,,,,,,,0.0,,,,,
O=S(=O)(Cc1ccccc1)NCC1CCCO1,CID2853608,,,0.0,,,,0.0,,0.0,,0.0,,,,,,
O=S(=O)(Cc1ccc(Cl)cc1)NCC1CCCO1,CID2973451,,,0.0,0.0,,,,,,,0.0,,,,,,0.0
CCOC(=O)N1CCC(NC(=O)CC(NS(=O)(=O)c2ccc(C)cc2)c2ccco2)CC1,CID3239658,,,0.0,,0.0,,0.0,,0.0,,,,0.0,,,,
CCOC(=O)N1CCC(NC(=O)CC(NS(=O)(=O)c2ccc(Cl)cc2)c2ccco2)CC1,CID3242013,0.0,,,0.0,0.0,,,,0.0,0.0,,,,,,,
CN(C)/C=C1/C=C(c2ccccc2)OC1=O,CID762465,,,,,,,,,0.0,0.0,,,,,,,
CN(C)/C=C1\C=C(c2ccccc2)OC1=O,CID762462,,,0.0,,,,0.0,0.0,0.0,,0.0,,0.0,,,,
c1cc(-c2nc3ccccc3o2)nc(-c2nc3ccccc3o2)c1,CID651855,0.0,0.0,,0.0,,,,0.0,0.0,,,,,,,,0.0
Cc1ccc2nc(-c3cccc(-c4nc5ccc(C)cc5o4)n3)oc2c1,CID3237500,0.0,0.0,0.0,0.0,,,,,0.0,,,,,,,,
CCn1c(SCC(=O)NCc2ccco2)nc2cccnc21,CID651858,,,,,,,,0.0,0.0,0.0,0.0,0.0,,,,,
COCCn1c(SCC(=O)NCc2ccco2)nc2cccnc21,CID650868,,0.0,,,,0.0,,,0.0,,0.0,0.0,,,,,
O=C(Cn1c(CO)nc2ccccc21)Nc1cc(C(F)(F)F)ccc1N1CCOCC1,CID2998220,,,,,0.0,,,,,,,,,,,,
O=C(Cn1cnc2ccccc21)Nc1cc(C(F)(F)F)ccc1N1CCOCC1,CID2997865,0.0,,,,0.0,,,,,,,,,,,,0.0
CCCn1c(C)cc(C(=O)CN2C(=O)c3ccccc3C2=O)c1C,CID2998229,,,,,,,,,,,0.0,,,,,,0.0
C=CCn1c(C)cc(C(=O)CN2C(=O)c3ccccc3C2=O)c1C,CID2998010,,,,,,0.0,,,,,0.0,,0.0,,,0.0,
COc1ccc(N2CCN(C(=O)CSc3nnc(NC(=O)C4CC4)s3)CC2)cc1,CID1470573,,,,,,,,,,,,,,,0.0,,
COc1ccccc1N1CCN(C(=O)CSc2nnc(NC(=O)C3CC3)s2)CC1,CID647958,,0.0,,,0.0,,,,0.0,0.0,0.0,,0.0,,0.0,0.0,0.0
O=C(NCCCN1CCc2ccccc2C1)Nc1ccc(Br)cc1,CID9550091,,,,,,,,,,,0.0,,,,,,
COc1ccc(NC(=O)NCCCN2CCc3ccccc3C2)cc1,CID5308460,,,0.0,,,,,,,,0.0,,,,,0.0,
CC(/C=C/c1cccc([N+](=O)[O-])c1)=N\NC(=O)c1cccnc1,CID831168,,,,,,,,,,,,,,0.0,,,
O=C(N/N=C/C=C/c1ccccc1[N+](=O)[O-])c1cccnc1,CID1973052,,,,,,,,,,,,,,0.0,,,
Cn1c(=O)c2c(-c3ccccc3)n(-n3cnnc3)cc2n(C)c1=O,CID3236798,,0.0,0.0,,,,,0.0,,,,,,,,,
Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-n2cnnc2)cc1,CID3245142,,0.0,,,,,,,0.0,,,,,0.0,,,0.0
O=C(CCS(=O)(=O)Cc1ccccc1F)N1CCc2ccccc2C1,CID3241620,,,,,,,,,,,,0.0,,,,,
O=C(CCS(=O)(=O)Cc1ccccc1)N1CCc2ccccc2C1,CID2229561,,,,,,,,,0.0,0.0,,,,,,,
Cc1ccc(Cl)cc1N1CCN(C(=O)C2CCC(=O)N2C(C)C)CC1,CID4296541,0.0,,,,,,,,,,,,0.0,,,0.0,0.0
CCC(C)N1C(=O)CCC1C(=O)N1CCN(c2ccc(F)cc2)CC1,CID4208276,,,,,,,,,,0.0,,,,,,,
O=C(COc1ccccc1F)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1,CID2123759,,,,0.0,,0.0,,,,0.0,,,0.0,,,,
O=C(COc1ccccc1)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1,CID652012,,,0.0,0.0,0.0,0.0,,,,,0.0,,,,,,
O=C(CSc1nnc(Cc2ccccc2)o1)NCCc1ccccc1,CID2193386,0.0,0.0,0.0,,0.0,,0.0,0.0,,,0.0,,,,,0.0,0.0
COc1ccc(Cc2nnc(SCC(=O)NCCc3ccccc3)o2)cc1,CID1326340,0.0,,0.0,,0.0,,,,,,,,,,,,0.0
COc1ccccc1C1c2c(oc3ccc(Cl)cc3c2=O)C(=O)N1c1cc(C)on1,CID664258,,,,,,,,,,0.0,,,0.0,,,0.0,
COc1cccc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2cc(C)on2)c1OC,CID663686,,,0.0,,,0.0,,,,,,,,0.0,,0.0,
COc1ccccc1Cn1c(=O)c2ccccc2n2c(SCC(=O)N3CCCCC3)nnc12,CID2591729,0.0,,,0.0,,,0.0,,,,,,,,,,
Cc1ccc(Cn2c(=O)c3ccccc3n3c(SCC(=O)N4CCCCC4C)nnc23)cc1,CID2999270,0.0,,,0.0,,,,,,0.0,0.0,,,,,0.0,0.0
COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2cc3ccccc3o2)c1,CID666465,0.0,,,0.0,,0.0,,,0.0,,,0.0,,,,,0.0
CN1CCN(c2ccccc2NC(=O)c2cc3ccccc3o2)CC1,CID935541,,,,,,,,,,,0.0,0.0,,,,,
Clc1ccc(Oc2nc3ccccc3n3cccc23)cc1,CID1471612,,,,,,,,,,,,,,,0.0,,
Fc1cccc(Oc2nc3ccccc3n3cccc23)c1,CID1471610,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC(=O)CN2C(=O)COc3ccc(C)cc32)nc1,CID648928,0.0,,,0.0,,,,0.0,,,,,,,,0.0,
Cc1ccc(NC(=O)CN2C(=O)C(C)Oc3ccccc32)nc1,CID646937,,,,0.0,0.0,,,0.0,0.0,0.0,0.0,,,,,,
Fc1ccc(-c2cc3nc(-c4ccccc4)cc(N4CCOCC4)n3n2)cc1,CID654240,,,0.0,,,,,,,0.0,,0.0,,,,,
Cc1ccc(-c2cc3nc(-c4ccccc4)cc(N4CCOCC4)n3n2)cc1,CID1441397,,,,,,,,,,,0.0,,,,,,
CC1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCCc2ccccc2)CC1,CID1089316,0.0,0.0,,,,,,,,,0.0,,0.0,,0.0,,
CC1CCCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCCc2ccccc2)C1,CID3156042,,,,,,,,,,,,,,,,,0.0
Cc1ccn2cc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)nc2c1,CID1298817,,,,,,,,,,,,,,0.0,,,
Cc1cccc(S(=O)(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)c1,CID1905742,,,,,,,,,,,,,,0.0,,,
O=C1NCCN1C(=O)c1ccccc1F,CID711852,,,,0.0,,,,,,,0.0,,,,,,
O=C1NCCN1C(=O)c1cccc(Cl)c1,CID711851,,0.0,0.0,,,,0.0,,,,,,,,,0.0,0.0
CCn1c(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)nnc1-c1ccncc1,CID2618589,,0.0,0.0,,0.0,,,,,,,,,,,0.0,
C=CCn1c(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)nnc1-c1ccncc1,CID2508391,,,,,,,,,,,0.0,,,0.0,,,
O=S(=O)(N/N=C/c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1,CID1252589,,,,,,0.0,,,,,,,,,,,
O=S(=O)(N/N=C/c1ccc2c(c1)OCCO2)c1ccccc1,CID874000,,,,,,,,,,,,0.0,,,0.0,,
O=S(=O)(Nc1ccc2c(c1)OCO2)c1ccc(Br)s1,CID1314220,,,,,,,,,0.0,,,,,,,,
O=S(=O)(Nc1ccc2c(c1)OCO2)c1cccs1,CID651313,,,,,0.0,,0.0,,,,,,,,,,
CCOc1ccc(N(CC(=O)NC2CCCC2)C(=O)CCC(=O)Nc2ccccn2)cc1,CID653163,0.0,,,,,,0.0,,0.0,,,0.0,0.0,,,,0.0
CCCCOc1ccc(N(CC(=O)NC2CCCC2)C(=O)CCC(=O)Nc2ccccn2)cc1,CID654529,,,,,,,,0.0,,,,,0.0,,,,0.0
Cc1noc(C)c1S(=O)(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1,CID3241358,0.0,,,,,0.0,,,,,,,0.0,,,0.0,
COc1ccc(CCNC(=O)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)cc1OC,CID3245607,,,,,0.0,,,0.0,,,,,,,,,
O=C1CN(C(=O)COC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)c2ccccc2N1,CID2485329,,,,,,,,,0.0,0.0,,,,,0.0,,
CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1,CID2475985,,,,,,,,,,,,0.0,,,,,
Cc1nc2ccc(F)cc2cc1C(=O)NCc1ccco1,CID826916,,,0.0,0.0,,,,0.0,,,,,,,0.0,,
Cc1nc2ccccc2cc1C(=O)NCc1ccco1,CID2090989,,,,,0.0,0.0,0.0,0.0,,0.0,0.0,0.0,0.0,,,0.0,0.0
CCOC(=O)c1c(NC(=O)C2=C(C)NC(=S)NC2c2ccccc2C(F)(F)F)sc(C)c1C,CID3939561,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1c(NC(=O)C2=C(C)NC(=S)NC2c2ccc(C)cc2)sc(C)c1C,CID3304875,,,,,,,,,,,,,,,0.0,,
Cc1cccc(Oc2coc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc3c2=O)c1,CID2791414,,,,,,,,,,,,,,,0.0,,
CCc1ccc(Oc2coc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc3c2=O)cc1,CID2791423,,,,,,,,,,,,,,0.0,,,
COc1ccc2c(c1)c(C(=O)CN1CCN(C)CC1)c(C)n2Cc1ccccc1,CID661018,0.0,,0.0,,,0.0,,,,,,0.0,,,0.0,,0.0
CCN1CCN(CC(=O)c2c(C)n(Cc3ccccc3)c3ccc(OC)cc23)CC1,CID4438099,,,,,,,,,0.0,,,,,,,,
CCOc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1=O,CID5389147,,,0.0,,,,,,,,,,,,0.0,,
COc1ccccc1N1C(=O)NC(=O)/C(=C/Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1=O,CID5389175,,0.0,,,,,,,,,,,0.0,,,,
CCOC(=O)c1c(NC(=O)CSc2nc3ccccc3s2)sc(C(C)=O)c1C,CID2621002,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1c(NC(=O)CSc2nc3ccccc3s2)sc(C)c1C,CID1581961,,,,,,0.0,,,,,,,,0.0,0.0,,
COCC1CCCN(Cc2nc(Cc3ccccc3)no2)C1,CID16190836,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C1CCCN(Cc2nc(Cc3ccccc3Cl)no2)C1,CID16191288,,,,,,,,,,,,,,,0.0,,
O=Cc1ccc(OCc2nnsc2Cl)cc1,CID2764040,,,,,,,,,,,,,,0.0,0.0,,
O=Cc1ccccc1OCc1nnsc1Cl,CID1479067,,,,,,,,,,,,,,0.0,,,
O=S(=O)(/N=C(/Nc1cc(N2CCOCC2)ncn1)c1ccc(F)cc1)c1ccccc1,CID2974700,,,,,0.0,,,,,,,,0.0,,,,
O=S(=O)(/N=C(/Nc1cc(N2CCOCC2)ncn1)c1ccccc1)c1ccccc1,CID2951856,,,,,,,,0.0,,,0.0,,0.0,,,0.0,0.0
COCCn1c(C)cc(C2=NN=C(Nc3ccccc3F)SC2)c1C,CID3606829,,,,,,,,,,,,0.0,,,,,
COCCn1c(C)cc(C2=NN=C(Nc3ccc(F)cc3)SC2)c1C,CID4655729,,,,,,0.0,,,,,,,,,,,
Cn1c(=O)c2c(nc(-n3ccnc3)n2Cc2ccccc2)n(C)c1=O,CID797199,0.0,0.0,0.0,,,,,,,0.0,,,,,,,
Cn1c(=O)c2c(nc(-n3ccnc3)n2Cc2ccc(Cl)cc2Cl)n(C)c1=O,CID1327046,,,,,,,0.0,,,,,,,,,,
Cn1c(=O)[nH]c(=O)c2c1nc(Sc1ncccn1)n2CCCc1ccccc1,CID652540,,,,,0.0,,0.0,,,,0.0,0.0,,,,,
Cc1ccnc(Sc2nc3c(c(=O)[nH]c(=O)n3C)n2CCCc2ccccc2)n1,CID647242,,0.0,,,0.0,,0.0,,,,0.0,,,,,,
Cc1csc(-c2coc3cc(O)cc(C)c3c2=O)n1,CID5310837,,,,,,0.0,,,,,,,,,,,
COc1ccc2c(=O)c(-c3nc(C)cs3)coc2c1,CID658167,,,,,,,,0.0,,0.0,,,,0.0,,,
O=C(O)c1ccc(/N=C2\SCC(=O)N2Cc2ccccc2)cc1,CID1210288,,,,,,,,,,,,,,0.0,,,
O=C1CS/C(=N\c2ccccc2)N1Cc1ccccc1,CID3849976,,,,,,,,,,,,,,0.0,,,
O=c1cccc2n1CC1CC2CN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)C1,CID646339,,,,,,,0.0,,,,,,,,,,
O=c1cccc2n1CC1CC2CN(c2ncnc3c2cnn3-c2ccccc2)C1,CID648329,,,,,,,0.0,,0.0,,,,0.0,,,0.0,
CCCN1CCN(CCCNC(=O)Cn2ncc3c4ccccc4n(C)c3c2=O)CC1,CID5309551,,,,,,,,0.0,0.0,,,,0.0,,,,
CN1CCN(CCCNC(=O)Cn2ncc3c4ccccc4n(C)c3c2=O)CC1,CID5308878,,,,,,,,,,,0.0,,,,,,
CCOc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)C3CC3)n2)cc1,CID650575,,,0.0,0.0,,,,,,0.0,,,,,,,0.0
COc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)C3CC3)n2)cc1,CID655145,,,,,,,,,,0.0,,,,,,,
O=C(CN1CCN(CC(=O)Nc2ccccc2Cl)CC1)Nc1ccc2c(c1)OCCO2,CID3238104,,,,,0.0,,,,,0.0,0.0,,,,,,
CCOc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1,CID3244521,,0.0,,,,,0.0,0.0,0.0,,,,,,,,0.0
COC(=O)c1c(NC(=S)NC(=O)c2ccco2)sc2c1CCCC2,CID1114519,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1c(NC(=S)NC(=O)c2ccco2)sc2c1CCCC2,CID980413,,,,,,,,,,,,,,0.0,,,
Cc1cccc(C2c3c(n(C)c(=O)n(C)c3=O)N=C3c4ccccc4C(=O)C32)c1,CID645155,,,,,0.0,,,,,0.0,,,,,,,
Cn1c2c(c(=O)n(C)c1=O)C(c1cccc(Br)c1)C1C(=O)c3ccccc3C1=N2,CID652209,0.0,,,,,,0.0,,0.0,,0.0,0.0,,,,0.0,0.0
Cc1cc(C)nc(N2CCCC(C(=O)Nc3ccc4c(c3)OCCO4)C2)n1,CID645156,0.0,,,,,,,0.0,,,,,,,,,
O=C(Nc1ccc2c(c1)OCCO2)C1CCCN(c2ncccn2)C1,CID653162,0.0,,,,,0.0,,0.0,,,,,,,,,
COc1c(Cl)cc(-c2noc(C)c2C(=O)NCc2ccc3c(c2)OCO3)cc1Cl,CID3329236,0.0,,,,,,,,0.0,,,,,,,,
Cc1onc(-c2ccccc2)c1C(=O)NCc1ccc2c(c1)OCO2,CID2162375,0.0,,,0.0,,,0.0,0.0,0.0,0.0,,,0.0,,,,
CCS(=O)(=O)N1CCC(C(=O)NCCC2=CCCCC2)CC1,CID3237015,,,,0.0,,0.0,,,,,,,,,,,
CS(=O)(=O)N1CCC(C(=O)NCCC2=CCCCC2)CC1,CID774762,,,,,,,0.0,,,,,,,,,,
CCC(=O)OC1=C2C(=Nc3c(c(=O)n(C)c(=O)n3C)C2c2ccccc2)c2ccccc21,CID665949,,,,,0.0,,,,,0.0,,,,,,,
COc1ccc(C2C3=C(OC(C)=O)c4ccccc4C3=Nc3c2c(=O)n(C)c(=O)n3C)cc1,CID655363,,0.0,0.0,,0.0,,,0.0,,,,,,,,,
Cc1nnc(SCC(=O)NC2CCCC2)s1,CID895382,,,,,,,,,0.0,0.0,0.0,,,0.0,0.0,,
CCCCC(=O)Nc1nnc(SCC(=O)NC2CCCC2)s1,CID3220423,,,,,,,,,0.0,0.0,0.0,,,,,,
CCOC(=O)c1nnn(-c2nonc2-n2cccc2)c1CCl,CID709544,,,,,,,,,,,0.0,,,,,,
CCOC(=O)c1nnn(-c2nonc2-n2cccc2)c1C,CID2236730,,0.0,0.0,0.0,,,0.0,,,,,,,,,,
CCC(CC)C(=O)NC1CCSC1=O,CID2938038,,,,,,,,,,,0.0,,,,,,
CCCC(C)C(=O)NC1CCSC1=O,CID2904782,,,,,0.0,,0.0,,,0.0,,,,,,,0.0
Cc1occc1-c1nnc(SCC(=O)Nc2nc(C(C)(C)C)cs2)o1,CID1969190,,,,,,,,,0.0,0.0,,,,0.0,,,
Cc1csc(NC(=O)CSc2nnc(-c3ccoc3C)o2)n1,CID665877,0.0,0.0,0.0,0.0,0.0,,,,0.0,0.0,,,,0.0,0.0,,
O=C(NCCSc1ccccc1)c1cccnc1,CID2289694,,,,,0.0,0.0,,,,,,0.0,,,0.0,,0.0
O=C(NCCSc1ccccc1)c1cncc(Br)c1,CID585964,,,,,,,,,0.0,,,,,,,,
Cc1nn(C(=O)c2ccccc2)c2c1C(=O)CC(C)(C)C2,CID749826,0.0,0.0,,,0.0,,,0.0,,,,,1.0,1.0,,,
CCCc1nn(C(=O)c2ccccc2)c2c1C(=O)CC(C)(C)C2,CID788456,,,,,,,,,,,,,,,0.0,,
Cc1nc2ccccc2nc1CSc1nncs1,CID2527172,0.0,0.0,0.0,0.0,,,0.0,,,,,,,,,,
Cc1nnc(SCc2nc3ccccc3nc2C)s1,CID2526270,,,,,,,,,,0.0,,0.0,,,,,
CCOC(=O)N1CCN(S(=O)(=O)c2cc(Br)cc3c2N(C(=O)CC)CC3)CC1,CID3245233,,,,,,,,,,,0.0,,,,,,
CCOC(=O)N1CCN(S(=O)(=O)c2cc(Br)cc3c2N(C(C)=O)C(C)C3)CC1,CID3238175,,,,,,,0.0,,0.0,,0.0,,,,,0.0,0.0
Cc1nnc(NC(=O)CCC(=O)N2CCC(C)CC2)s1,CID663862,,,,,,,,,0.0,0.0,0.0,0.0,,,,,0.0
CCCc1nnc(NC(=O)CCC(=O)N2CCCCC2CC)s1,CID663442,,0.0,,,,,,,0.0,0.0,,,,,,,
COC(=O)/C=C/CSC1=NC(=O)/C(=C\c2ccc(-n3cncn3)cc2)N1,CID5707815,,,,,,0.0,,,,,,,,,,,
CCOC(=O)CSC1=NC(=O)/C(=C\c2ccc(-n3cncn3)cc2)N1,CID5707816,,,,,,0.0,,,,,,,,,,,
N#CCSc1nc(Nc2ccc3c(c2)OCO3)c2ccccc2n1,CID3239560,,,,,,0.0,,0.0,0.0,,0.0,,,,,,
CCOC(=O)CSc1nc(Nc2ccc3c(c2)OCO3)c2ccccc2n1,CID3496023,,,,,,,,,,,,0.0,,,,,
Cc1ccc(C(C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)Cn2cnc3ccccc32)cc1,CID3202300,,,,,,,,,,,,0.0,,,,,
O=C(NC1CCCCC1)C(c1ccccc1)N(Cc1ccco1)C(=O)Cn1cnc2ccccc21,CID651152,0.0,,,,,,,,,,,0.0,,,,,
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(OCc4c(C)noc4C)cc3)CC2)cc1,CID2594730,,,0.0,,0.0,,,,,,0.0,,,,,,0.0
COc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)ccc1OCc1c(C)noc1C,CID2516748,,,0.0,,0.0,,,,,,0.0,,,,,,
CC12CN3CC(C)(CN(C1)C3c1cccnc1)C2=O,CID535305,,,,,,,0.0,,,0.0,,,,,,,
CCC12CN3CC(CC)(CN(C1)C3c1cccnc1)C2=O,CID709452,,,,,,,,,,0.0,,,,,,,
Cc1cc(=O)oc2cc(OCC(=O)OCC(=O)Nc3ccc(C(C)C)cc3)ccc12,CID2367621,,,,,,,,,,,,,,,0.0,,
Cc1cc(=O)oc2cc(OCC(=O)OCC(=O)N(CCC#N)c3ccccc3)ccc12,CID2410358,,,,,,,,,,,,,,,0.0,,
c1ccc(Nc2cc(-c3ccccc3)nc3ncnn23)cc1,CID653148,0.0,,,,,,,0.0,,,,,,,,,
CC(=O)Nc1ccc(Nc2cc(-c3ccccc3)nc3ncnn23)cc1,CID1430157,,,,,,,,,,,,,,0.0,,,
O=C(c1ccc2c(=O)n(Cc3ccco3)c(=S)[nH]c2c1)N1CCN(c2ccccc2)CC1,CID3243373,,,,,,,,,,,,,0.0,,,,0.0
COc1ccccc1N1CCN(C(=O)c2ccc3c(=O)n(Cc4ccco4)c(=S)[nH]c3c2)CC1,CID3243829,,,,,,,,,,,,,,,,,0.0
CCOc1ccc(-n2c(=O)[nH]cc(C(=O)N3CCCc4ccccc43)c2=O)cc1,CID3236245,0.0,,0.0,,0.0,0.0,0.0,,0.0,0.0,,,0.0,,,,
COc1ccc(-n2c(=O)[nH]cc(C(=O)N3CCCc4ccccc43)c2=O)cc1,CID3236506,0.0,,0.0,,,0.0,,0.0,0.0,0.0,,,,,,,
O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)Nc1ccccc1,CID979283,,,,,,0.0,,,,,,,,,,,
O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)Nc1ccccc1Cl,CID989664,,,,,,0.0,,,,,,,,,,,
CCCCn1c(SCC(=O)Nc2ccc(OC)cc2)nc2ccc(N3CCOCC3)cc2c1=O,CID3236248,,,,,,,,0.0,,0.0,,,0.0,,,0.0,
CCCCn1c(SCC(=O)Nc2cccc(OC)c2)nc2ccc(N3CCOCC3)cc2c1=O,CID3243377,,,0.0,,,,,,,,0.0,,,,,0.0,
NC(=O)c1cccc(S(=O)(=O)N2CC(c3ccccc3)CC2=O)c1,CID3937576,,,,,,,,0.0,,,,0.0,0.0,,,,
O=C1CC(c2ccccc2)CN1S(=O)(=O)c1ccccc1,CID3930754,,,,,,0.0,,0.0,,,,,,,,,
CC1CCc2c(C(=O)NCCCN3CCOCC3)csc2C1,CID3237196,,0.0,,0.0,0.0,0.0,0.0,,,,,,,,,,
O=C(NCCCN1CCOCC1)c1csc2c1CCCC2,CID3243403,,0.0,,,0.0,,,0.0,,,,0.0,,0.0,,,
O=C(NCc1n[nH]c(=S)n1-c1ccccc1)c1ccco1,CID3237191,,0.0,,0.0,0.0,,,,,,,,0.0,0.0,,,
O=C(NCc1n[nH]c(=S)n1-c1ccc(F)cc1)c1ccco1,CID3243337,,0.0,,,0.0,,,0.0,,,,,,,,0.0,0.0
CC(C)(C)C1CCc2onc(C(=O)N3CCOCC3)c2C1,CID3237193,,,0.0,0.0,,,0.0,,,,,,,,,,
O=C(c1noc2c1CCCC2)N1CCOCC1,CID3236189,,,,,,0.0,,0.0,,,,,,,,,
CCOC(=O)c1c(C)c(C(=O)N2CCN(C(=O)c3ccco3)CC2)c(C)n1C,CID3245745,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1[nH]c(C)c(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1C,CID3241354,,,0.0,,,,,0.0,0.0,,,,,,,0.0,
O=[N+]([O-])c1ccc(Cl)c(/C=N/n2c(C3CCCCC3)n[nH]c2=S)c1,CID1318927,,,,,,0.0,,,,,,,,,,,
O=[N+]([O-])c1ccc(/C=N/n2c(C3CCCCC3)n[nH]c2=S)cc1,CID892794,,,,,,0.0,,,,,,,,,,,
Cc1ccc(S(=O)(=O)n2nc(OC(=O)C3CCCCC3)cc2N)cc1,CID3240664,,,,,0.0,,,0.0,,,,,,,,,
COc1ccc(S(=O)(=O)n2nc(OC(=O)C3CCCCC3)cc2N)cc1,CID3245380,,,,0.0,0.0,0.0,0.0,,,,,,,,,,
Brc1cccc(-c2nnc3sc(CNC4CCCC4)cn23)c1,CID4645481,0.0,,,,,,,,,,0.0,,,,,0.0,
Brc1ccc(-c2nnc3sc(CNC4CCCC4)cn23)cc1,CID4167655,,,,,,,,,,,,,,,,0.0,
Cc1ccccc1C(=O)NC(=S)NCC(=O)c1ccccc1,CID1581708,,,,,,,,,,,,0.0,,,,,
O=C(CNC(=S)NC(=O)c1ccccc1Br)c1ccccc1,CID1581709,,,,,,,,,,,,,,0.0,,,
O=C(Oc1ccc(Cl)c2cccnc12)N1CCOCC1,CID712592,0.0,0.0,,0.0,,,,,,,,,0.0,,,,0.0
O=C(Oc1c(Cl)cc(Cl)c2cccnc12)N1CCOCC1,CID713151,0.0,,,,,,,,,,,0.0,,,,,
O=C(Nc1cccc(F)c1)c1ccc(CSc2ccccc2)o1,CID2146618,,,,,,,,,,,,,,,0.0,,
CC(=O)c1ccc(NC(=O)c2ccc(CSc3ccccc3)o2)cc1,CID2146623,,,,,,,,,,,,,,,0.0,,
COc1ccccc1C(=O)C1Nc2ccccc2-c2nnc(SC)nc2O1,CID2906776,,0.0,0.0,0.0,,,0.0,,,,,,,,,0.0,
CCCCSc1nnc2c(n1)OC(C(=O)c1ccccc1)Nc1ccccc1-2,CID6410136,,,,,,,,,,0.0,,,,,0.0,,
Cc1ccn2c(C(=O)N/N=C/c3ccc4c(c3)OCO4)c(C)nc2c1,CID804553,,,,,,,,,,,,,,,0.0,,
Cc1nc2ccccn2c1C(=O)N/N=C/c1ccc2c(c1)OCO2,CID900170,,,,,,,,,,,,,,0.0,0.0,,
CCn1c2ccccc2c2cc(/N=C3/SC(CC(=O)Nc4ccccc4OC)C(=O)N3CCOC)ccc21,CID3331243,,,,,,,,,,,,,,,0.0,,
CCn1c2ccccc2c2cc(/N=C3/SC(CC(=O)Nc4ccccc4)C(=O)N3C)ccc21,CID5103771,,,,,,0.0,,,,,,,,,,,
O=C(Cc1cccs1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1,CID649585,0.0,,,,0.0,,,,,,0.0,,0.0,,,0.0,0.0
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)Cc3cccs3)cc2)n1,CID1147557,0.0,0.0,,,0.0,,0.0,,,,,,0.0,,,,0.0
COc1ccc(S(=O)(=O)N2CCN(C(=O)c3c(C)nn(-c4ccccc4)c3Cl)CC2)cc1,CID649580,0.0,0.0,,,0.0,,,,0.0,0.0,0.0,,0.0,0.0,,,
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3c(C)nn(-c4ccccc4)c3Cl)CC2)cc1,CID655258,0.0,,0.0,,0.0,,,,,,0.0,,,,,,0.0
COc1ccc(C(=O)N2CC(=O)N(CCc3ccccc3)C(=O)C2)cc1OC,CID3239284,,0.0,0.0,,,,,,0.0,0.0,,,,,,,
CN(C)c1ccc(C(=O)N2CC(=O)N(CCc3ccccc3)C(=O)C2)cc1,CID3238050,0.0,,,,0.0,,,,0.0,,,,,,,,
Cn1c(N)c(C(=O)NCc2ccccc2)sc1=S,CID672009,,,0.0,,0.0,,,,,0.0,,,,,,,
Cn1c(N)c(C(=O)NCc2ccccc2Cl)sc1=S,CID665635,,,,,,,,,0.0,0.0,,,0.0,0.0,,,
CC1CCN(C(=O)COc2ncnc3ccccc23)CC1,CID2383474,,,,,,,,,,,,,,0.0,,,
O=C(COc1ncnc2c(Cl)cc(Cl)cc12)N1CCCCC1,CID2078591,0.0,,,,,,,,,,,,,,,,
Fc1ccc(-c2csc(=S)[nH]2)cc1,CID716719,,,,,,,,,,,,,,,0.0,,
Cc1ccc(-c2csc(=S)n2CC(=O)OCC(=O)NC(C)C(C)C)cc1,CID5025384,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1cc(-c2cccnc2)nn1-c1ccccn1,CID2998819,,0.0,,,,,,,,,,,0.0,,,,
O=C(O)c1cc(-c2cccnc2)nn1-c1ccccn1,CID2999822,,,,,,,,,,,,,0.0,,,,0.0
O=C1N=C(c2cccc(Br)c2)N/C1=C\c1ccco1,CID1839602,,,,,,,,,,,,,,,0.0,,
O=C1N=C(c2ccc(Br)cc2)N/C1=C/c1ccco1,CID1871850,,,,,,,,,,,,,,,0.0,,
CN(C)c1ccc(NC(=O)CSCc2nc3n(Cc4ccc(F)cc4)[nH]nc-3c(=O)n2)cc1,CID653493,0.0,,0.0,,0.0,,,,,,0.0,,0.0,,,,
Cc1cc(C)cc(NC(=O)CSCc2nc3n(Cc4ccc(F)cc4)[nH]nc-3c(=O)n2)c1,CID1455148,,,,,,,,,,,0.0,0.0,,,,,
O=C(NCCCc1ccccc1)c1ccncc1,CID2282572,,,,,0.0,,,,,0.0,,,0.0,,,0.0,
CC(CCc1ccccc1)NC(=O)c1ccncc1,CID3246771,,,0.0,,0.0,,,,,,,,,0.0,,,
CCn1c(SCC(=O)c2ccc(CNC(C)=O)o2)nnc1-c1cccs1,CID2570212,0.0,0.0,0.0,0.0,0.0,,,,,0.0,0.0,,,,,0.0,
Cc1ccc(C(=O)CSc2nnc(-c3cccs3)n2C)o1,CID713182,0.0,,0.0,,0.0,0.0,0.0,,0.0,0.0,0.0,,,0.0,,,0.0
CCc1ccc(Nc2nnc(SCC(=O)c3ccc4c(c3)NC(=O)CO4)s2)cc1,CID2479582,,,,,,,,,,,,,,0.0,,,
Cc1cccc(C)c1Nc1nnc(SCC(=O)c2ccc3c(c2)NC(=O)CO3)s1,CID2457293,,,,,,,,,,,,,,0.0,,,
COc1ccc(N2C(=O)C3C(C2=O)C2c4ccccc4C=CN2C3C(C)=O)cc1,CID6356140,,,,,,,,,,,,,,0.0,,,
CC(=O)C1C2C(=O)N(c3cccc(Cl)c3)C(=O)C2C2c3ccccc3C=CN12,CID660152,,,,,,,0.0,,,,,,,,,,
Cc1ccc(-c2nnn(CC(=O)NCc3ccccc3)n2)c(-n2cnnn2)c1,CID655679,,,,,0.0,,,,,,,,0.0,,0.0,,
O=C(Cn1nnc(-c2ccccc2-n2cnnn2)n1)NCc1ccccc1,CID649619,,0.0,,,,,0.0,,,0.0,,,,,,,
CCCCN(CCCNC(=O)C1CCN(S(=O)(=O)N2CCOCC2)CC1)c1ccccc1,CID3241495,,,,,,0.0,,,,,,,,,0.0,,0.0
CCN(CCCNC(=O)C1CCN(S(=O)(=O)N2CCOCC2)CC1)c1cccc(C)c1,CID3243553,,,0.0,,,,,,,,,,,,,,0.0
COCCNC(=O)CSc1nc2ccccc2c(=O)n1CC1CCCO1,CID3241499,,,,0.0,,0.0,,,0.0,,,,,,,0.0,
CCOC(=O)CSc1nc2ccccc2c(=O)n1CC1CCCO1,CID646300,,,,0.0,,,,0.0,0.0,,0.0,0.0,0.0,0.0,0.0,,
CCn1c(SCc2ccccc2)nc2c(c1=O)SCC2,CID7197604,,,,,,,,,,,,,,0.0,,,
CCn1c(SCc2ccc(F)cc2)nc2c(c1=O)SCC2,CID7197607,,,,,,,,,,,,,,0.0,,,
CCN1CCCC1CNC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1,CID5309908,,,,0.0,,0.0,,,,,,,,,,,
CCN1CCCC1CNC(=O)c1cc2c(-c3cccc(OC)c3)nn(C)c2s1,CID3241010,0.0,,0.0,0.0,,,,,,,0.0,,,,,,
Cc1ccc(NC(=O)Cc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)cs2)cc1,CID2572682,,,,0.0,,0.0,,,,,0.0,,,,,0.0,0.0
Cc1ccccc1NC(=O)Cc1nc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)cs1,CID2541542,,,,,,,,,,0.0,,0.0,,,,,
Cc1cc(Cl)ccc1OCCCC(=O)N1CCN(C(=O)c2ccco2)CC1,CID645538,,0.0,,0.0,,,,,,,,,,,0.0,0.0,0.0
O=C(CCCOc1ccccc1)N1CCN(C(=O)c2ccco2)CC1,CID654650,,,,,,,,,,,,,0.0,,,,
CS(=O)(=O)NCc1nnc(SCC(=O)NC2CCCCC2)n1-c1ccc(F)cc1,CID645531,,0.0,0.0,0.0,0.0,,0.0,,0.0,0.0,,,,,,0.0,
Nc1nnc(SCC(=O)NC2CCCCC2)n1-c1ccccc1,CID974815,,0.0,0.0,,,,0.0,,,0.0,0.0,,,,,0.0,
CC1(C(=O)NCc2ccccc2)Oc2ccccc2NC1=O,CID3637200,,,,,,,,,,0.0,,,,,,,
COc1cccc(CNC(=O)C2(C)Oc3ccccc3NC2=O)c1,CID3851973,,,,,,,,,,,0.0,,,,,,
O=C(CN1C(=O)C2(OCCCO2)c2ccccc21)NCCc1ccccc1,CID3240781,,,0.0,,,,0.0,,0.0,,,,0.0,,0.0,,
COc1ccc(CCNC(=O)CN2C(=O)C3(OCCCO3)c3ccccc32)cc1OC,CID3237956,,0.0,0.0,,,,,,0.0,0.0,,,0.0,,,,
COCc1c(C(=O)OCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)oc2ccccc12,CID2310081,,,,,,,,0.0,,,,,,,,,
Cc1c(C(=O)OCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)oc2ccccc12,CID2083976,,,0.0,,,,,0.0,0.0,,,,,,,,
O=C1CC(c2ccc(F)cc2)Cc2nc(N3CCOCC3)ncc21,CID3246781,,,,,,,,0.0,,,0.0,,,,,,
O=C1CC(c2cccc(Cl)c2)Cc2nc(N3CCOCC3)ncc21,CID665689,,,,,,,0.0,,,,,,,,,0.0,0.0
CC(NC(=O)Cc1cccs1)c1ccncc1,CID3246780,,,,0.0,0.0,,0.0,0.0,,,,,,,,,
O=C(Cc1cccs1)NCc1ccncc1,CID645376,,0.0,,0.0,0.0,,,,,,,,,,0.0,,
CC(C)C1NC2(C(=O)c3ccccc3C2=O)C2C(=O)N(c3ccc(F)cc3)C(=O)C12,CID662622,,0.0,,,,,,,,,,,,,,,0.0
CCCOc1ccc(N2C(=O)C3C(C(C)C)NC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1,CID3727986,,,,,,,,,,,0.0,,,,,,
CC(C)(CSc1ncccn1)NS(=O)(=O)c1ccccc1,CID2146791,,,,,,,,,,,,,,,0.0,,
Cc1ccc(S(=O)(=O)NCCSc2ncccn2)cc1,CID1597975,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccc(C)c(Cn2[nH]nc3c(=O)nc(C4CCCN(C(=O)CC(C)C)C4)nc2-3)c1,CID652831,,0.0,0.0,,,,0.0,,,,,0.0,,,,0.0,
CCCCC(=O)N1CCCC(c2nc3n(Cc4cc(C)ccc4C)[nH]nc-3c(=O)n2)C1,CID648740,,,,,,,,,,0.0,0.0,0.0,,,,,
CCOC(=O)c1cc(=O)n(Cc2ccccc2C)c2ccccc12,CID5067419,,,,,,0.0,,,,,,,,,,,
Cc1ccc(Cn2c(=O)cc(C(=O)O)c3ccccc32)cc1,CID3245468,,,0.0,,,0.0,,,,,,,,,,,
COc1cc2c(cc1OC)C1Cc3c(cnc4c(-c5ccc(Cl)cc5)cnn34)C(=O)N1CC2,CID5102347,,,,,,0.0,,,,,,0.0,,,,,
COc1cc2c(cc1OC)C1Cc3c(cnc4c(-c5ccc(F)cc5)cnn34)C(=O)N1CC2,CID5123360,,,,,,0.0,,,,,,0.0,,,,,
CC1CCCC(C)N1C(=O)c1cc(-c2cccs2)on1,CID3235914,,,,0.0,,,0.0,,,,,,,,,,0.0
O=C(c1cc(-c2cccs2)on1)N1CCCCC1,CID2745204,,0.0,,,,,0.0,,,,,,0.0,,,,0.0
Brc1cnc(N2CCOCC2)nc1N1CCCCC1,CID888822,0.0,,,,,,0.0,,0.0,,,0.0,,,,,0.0
Cc1nc(N2CCOCC2)nc(N2CCCCC2)c1[N+](=O)[O-],CID2910762,,,,,,,,,,,,,,0.0,,,
COc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2cccnc2)C3=O)c(OC)c1,CID1301245,,,0.0,0.0,,,0.0,0.0,,,,,,,,,
COc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2cccnc2)C3=O)cc1,CID1254267,,,0.0,,,,0.0,,0.0,,,0.0,,,,,
CCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NCc3ccco3)cc2)cc1,CID2372644,,,,,,,,,,0.0,0.0,,,,,,
Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NCc3ccco3)cc2)cc1,CID1190686,,,,,,,,,,0.0,0.0,,,,,,
COc1ccc(CNC(=O)C(=O)NCC2CCCO2)cc1,CID3113996,,,,,,0.0,,,,,,,,,,,
CC(NC(=O)C(=O)NCC1CCCO1)c1ccccc1,CID2883263,,,,,,0.0,,,,,,,,,,,
CCOc1ccc2nc(N3C(=O)/C(=C/c4ccccc4)NC3=S)sc2c1,CID2065714,,,,,,,,,,,,,,0.0,0.0,,
CCOc1ccc2nc(N3C(=O)/C(=C/c4ccc(Cl)cc4)NC3=S)sc2c1,CID1620331,,,,,,,,,,,,,,0.0,,,
O=C(O)Cn1nc(-c2ccc(F)cc2)oc1=O,CID2560682,,,,0.0,,,,0.0,,,,,,,,,
COc1cc(-c2n[nH]c(=O)o2)cc(OC)c1OC,CID330197,,,,,,,,,,0.0,,,,,,,
CCOc1ccc(-n2cc(C(=O)Nc3ccc(Cl)cn3)c3cc(OC)c(OC)cc3c2=O)cc1,CID5224708,,,,,,0.0,,,,,0.0,,,,,,
CCOc1ccc(-n2cc(C(=O)Nc3cccc(C)n3)c3cc(OC)c(OC)cc3c2=O)cc1,CID3239344,,,0.0,,0.0,,,0.0,0.0,0.0,,0.0,0.0,,,,0.0
Cc1ccc(N(C(=O)c2csnn2)C(C(=O)NC(C)(C)C)c2ccncc2)cc1,CID3219240,,,,,,0.0,,,,,,,,,,,
CCc1ccc(N(C(=O)c2csnn2)C(C(=O)NC(C)(C)C)c2ccncc2)cc1,CID3219291,,,,,,0.0,,,,,,,,,,,
CC1(C)CC(=O)C2=C(C1)OC1=C(C2)C(=O)CC(C)(C)C1,CID727017,,,,,,,,,,,,,,0.0,,,
CCCCC1C2=C(CCCC2=O)OC2=C1C(=O)CCC2,CID2137779,,,,,,,,,,,,,,0.0,,,
CC1CCCCN1S(=O)(=O)c1coc(C(N)=O)c1,CID5307401,,0.0,,0.0,,,,,,,,,,,,,
CC1CCCN(S(=O)(=O)c2coc(C(N)=O)c2)C1,CID5307412,,,,,,,0.0,,,,,,,,,0.0,
Cc1cc2oc(C(=O)Nc3cccnc3)c(C)c2cc1C,CID975512,0.0,,0.0,,0.0,,0.0,0.0,,0.0,,,,0.0,,,0.0
Cc1ccc2c(C)c(C(=O)Nc3cccnc3)oc2c1,CID852700,,,,,,,,,,,,0.0,,0.0,,,
CC(CC(=O)NCc1ccccc1)C1CCCO1,CID2837669,,,,,,,,,,0.0,,,,,,,0.0
O=C(CC(C(=O)O)C1CCCO1)NCc1ccccc1,CID3124447,,0.0,,,,,,,,,0.0,,,,,0.0,
O=C(NCc1ccco1)c1nnc(Cc2ccc(Cl)cc2)o1,CID9550788,,,,,,0.0,,,,,,,,,,,
O=C(NCc1ccco1)c1nnc(Cc2ccc(F)cc2)o1,CID5307742,,,,,,,,,,,,,,,,,0.0
COc1cccc(CNC(=O)CCNS(=O)(=O)c2cccs2)c1,CID3236087,,,,,0.0,,0.0,,,0.0,0.0,,0.0,,,,
O=C(CCNS(=O)(=O)c1cccs1)NCc1ccccc1,CID9551483,,,,,,,,,,,,,,0.0,,,
CC(=O)c1c(C)nn(C(=O)N2CCOCC2)c1C,CID2928061,,,,,,0.0,,,0.0,0.0,,,0.0,,,,
Cc1nn(C(=O)N2CCOCC2)c(C)c1C,CID973775,,,,,,,,,0.0,,,,,,0.0,,
O=C(CCc1ccccc1)Nc1ccncc1,CID814775,,,,0.0,,,0.0,,,0.0,,0.0,,,,,0.0
CC(CC(=O)Nc1ccncc1)c1ccccc1,CID2915112,,,,,,,,,,0.0,,,,,,0.0,
Cc1n[nH]c(SCCc2ccccc2)nc1=O,CID568753,,,,0.0,,,,0.0,,0.0,,,,,,0.0,0.0
O=c1cn[nH]c(SCCc2ccccc2)n1,CID734738,,0.0,,0.0,,,0.0,0.0,,0.0,,,0.0,,,,
COc1ccc(C2/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)c(OC)c1,CID5864398,,,,,,,,,,,,,,0.0,,,
O=C1C(=O)N(Cc2ccco2)C(c2cccc(Cl)c2)/C1=C(\O)c1ccc2c(c1)OCCO2,CID5389627,,,,,,,,,,,,,,,,0.0,
CCc1nc(SCC(=O)Nc2c(C)nn(C)c2C)c2cnn(-c3ccccc3)c2n1,CID3228933,,,,,,,,,,,0.0,,,,,,
Cc1nc(SCC(=O)Nc2c(C)nn(C)c2C)c2cnn(-c3ccccc3)c2n1,CID3228928,,,,,,,,,0.0,,0.0,,,,,,
CC(C)(C)c1ccc(OCCCC(=O)NC2=NCCS2)cc1,CID2124930,,,,,,,,,,,,0.0,,,0.0,,
CCOc1ccccc1OCCCC(=O)NC1=NCCS1,CID2081480,,0.0,,0.0,0.0,,0.0,0.0,0.0,,,,,,,,
CCOC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)CC1,CID665863,,,,,,,,,,,,,,,,,0.0
CCN1CCN(S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)CC1,CID3802466,,,,0.0,,,,,,,,,,,,0.0,
O=C1CC(N2CCC(c3nc4ccccc4o3)CC2)C(=O)N1c1ccc(Cl)cc1,CID2981194,,0.0,0.0,0.0,,,,,,,,,,,,0.0,0.0
O=C1CC(N2CCC(c3nc4ccccc4o3)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1,CID2961809,,,,,,,,,,,,,,0.0,,,
COc1ccccc1N1CCN(C(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)CC1,CID649322,0.0,,,,0.0,,,,,,,,,,,,0.0
O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)N1CCN(c2ccccc2)CC1,CID648741,0.0,,,,0.0,,,,,,,,,,,,0.0
CC(C)(C)n1nnnc1CN1CCN(C2CCCC2)CC1,CID655281,,,,0.0,,,,,,,,,,0.0,,0.0,
CCC(c1nnnn1C(C)(C)C)N1CCN(C2CCCC2)CC1,CID655057,,0.0,,,,,,,,,,,,,,,
COc1ccc(S(=O)(=O)N2CC(O)CC2C(=O)OCc2nc3sc(C)c(C)c3c(=O)[nH]2)cc1,CID3325349,,,,,,,,,,,,,,,0.0,,
Cc1ccc(S(=O)(=O)N2CCCC2C(=O)OCc2nc3sc(C)c(C)c3c(=O)[nH]2)cc1,CID4530551,,,,,,,,,,,,,,,0.0,,
CCn1nnnc1SCC(=O)Nc1ccc2c(c1)OCCO2,CID855249,,,,,,,,,0.0,,,,,,,,
CCCCn1nnnc1SCC(=O)Nc1ccc2c(c1)OCCO2,CID645533,,0.0,,0.0,,,0.0,,0.0,,0.0,,,,,0.0,
Cc1ccnc(N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)n1,CID647366,,,,,,,,0.0,,,0.0,,,,,,
Cc1cc(C)nc(N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)n1,CID645742,0.0,0.0,,,,,,,,,,0.0,,,,,
O=c1[nH]c(Nc2ccccc2)cc2ccccc12,CID2142225,,,,,,,0.0,0.0,,,,,,,,0.0,
Cc1ccccc1Nc1cc2ccccc2c(=O)[nH]1,CID2142222,0.0,0.0,0.0,,,,0.0,,,,,,,,,,
Cn1c(SCC(=O)N2CCCCC2)nc2c([nH]c3ccccc32)c1=O,CID2155537,0.0,,,,,0.0,,,0.0,,0.0,,0.0,,,0.0,
CCC1CCCCN1C(=O)CSc1nc2c([nH]c3ccccc32)c(=O)n1C,CID3242397,,,,,,,,,,0.0,0.0,,,,,,
COc1ccccc1CNC(=O)CCCn1c(=O)c2ccccc2n(CC(=O)NC2CCCC2)c1=O,CID3238930,,,,,,,,0.0,,,,0.0,,,,,0.0
Cc1ccc(CNC(=O)CCCn2c(=O)c3ccccc3n(CC(=O)NC3CCCC3)c2=O)cc1,CID3244172,,,,,,,,0.0,,,,,,,,,0.0
O=C(CNC(=O)c1ccccn1)N/N=C/c1ccccc1,CID3106312,,,,,,0.0,,,,,,,,,,,
C/C(=N\NC(=O)CNC(=O)c1ccccn1)c1ccc([N+](=O)[O-])cc1,CID16188123,,,,,,,,,,,,,,,0.0,,
O=C(C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)N1CCc2ccccc21,CID3243865,,,,,,,,,,,,,,,,0.0,
CC1Cc2ccccc2N1C(=O)C1CCN(S(=O)(=O)c2cccs2)CC1,CID2999266,,,0.0,0.0,,,0.0,,0.0,,0.0,,0.0,,,,
C(=N/n1cnnc1)\c1ccc2c(c1)OCCO2,CID2307288,,0.0,,,,,,,0.0,,,,,,,,
Cc1nnc(C)n1/N=C/c1ccc2c(c1)OCCO2,CID2999458,,,0.0,,,,,,,,0.0,0.0,,,,,
COc1ccc(CNC(=O)C(=O)NCc2ccccc2)cc1,CID2248746,,,,,,0.0,,,,,,,,,,,
Cc1ccc(CNC(=O)C(=O)NCc2ccccc2)cc1,CID2271044,,,,,,0.0,,,,,,,,,,,
COc1ccccc1NC(=O)CSc1ncn(-c2ccccc2)n1,CID977493,,,,,,,,,,,0.0,,,,,,
COc1ccc(NC(=O)CSc2ncn(-c3ccccc3)n2)cc1Cl,CID2214653,,,0.0,,0.0,,0.0,,,,,0.0,,,0.0,,0.0
CCn1c(=O)cc(C(=O)OC)s/c1=N\c1ccc(F)c(F)c1,CID1518869,,,,,0.0,,,,,,,,,,,,0.0
COC(=O)c1ccc(/N=c2\sc(C(=O)OC)cc(=O)n2C)cc1,CID5309300,,,,,,,,,,0.0,,,,,,,0.0
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OCc1nnc(-c2ccc(Cl)cc2)o1,CID2114980,0.0,,,,,,,,,,,,0.0,,,,
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OCc1nnc(-c2ccccc2)o1,CID2092555,0.0,,0.0,,0.0,,,,,,,,,0.0,,,
O=C(NCc1cccnc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1,CID1118414,,,,0.0,,0.0,,,,,,,,0.0,,0.0,
N#CCCN(Cc1cccnc1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1,CID2118171,,,,,,,,0.0,,,,0.0,,,,,
C=CCn1c2ccccc2n2nc(C)c(=O)nc12,CID777753,,,,,,,,,,,,0.0,,,,,
Cc1nn2c3ccccc3n(C)c2nc1=O,CID2302273,,,,,,,,,,,,0.0,,,,,
CC(/C=C1\SC(=O)N(CCCC(=O)O)C1=O)=C\c1ccccc1,CID2040656,,,,,,,,,,,,,,0.0,0.0,,
CCOC(=O)CN1C(=O)S/C(=C/C=C/c2ccc(N(C)C)cc2)C1=O,CID2285069,,,,,,,,,,,,,,,0.0,,
CCOC(=O)N1CCN(C(=O)CSCC(=O)Nc2nc(-c3ccc(Cl)s3)cs2)CC1,CID3243038,,,,,0.0,,,,0.0,,,,,,,0.0,
CCOC(=O)N1CCN(C(=O)CSCC(=O)Nc2nc(-c3cccs3)cs2)CC1,CID3241144,,,0.0,,0.0,,,,0.0,,,,,,,,
Cc1nn(-c2cc(N3CCCCC3)ccc2N)c(=O)c2ccccc12,CID953983,0.0,,,,,,,,,,,0.0,,,,0.0,0.0
Cc1nn(-c2cc(N3CCCCC3)ccc2[N+](=O)[O-])c(=O)c2ccccc12,CID629182,,,,,,,,,0.0,,,0.0,,,,,
COc1ccc(NC(=O)C2=CC3=NC(c4ccc5c(c4)OCO5)CC(C(F)(F)F)N3N2)cc1OC,CID5771475,,,,,,,0.0,,,,,,,,,,
COc1ccccc1NC(=O)C1=CC2=NC(c3ccc4c(c3)OCO4)CC(C(F)(F)F)N2N1,CID5770894,,,0.0,,,,,,,,,,,,,,
CCOC(=O)N1CCN(C(=O)CCSc2ccc(C)cc2)CC1,CID951587,,,0.0,,,,,0.0,,,,,0.0,,,,0.0
CCOC(=O)N1CCN(C(=O)CCSc2ccccc2)CC1,CID883079,,,,,,,,,,,,,,,,,0.0
O=[N+]([O-])c1cccc(-c2ccc(C(=S)N3CCN(c4ccc(F)cc4)CC3)o2)c1,CID1368313,,,,,,,,,,,,,,,0.0,,
Cc1cccc(N2CCN(C(=S)c3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)c1,CID1180953,,,,,,,,,,,,,,,0.0,,
Cc1ccc(-c2cn3c(=O)cc(C)[nH]c3n2)cc1,CID2768306,,,,,,0.0,,,,,,,,,,,
Cc1cc(=O)n2cc(-c3ccccc3)nc2[nH]1,CID2763440,,,,,,,,,,,,0.0,,,,,
CCN(CC)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCCCN3CCCCC3C)c(=O)c2c1,CID4116026,,,,,,,,,,,,,,0.0,,,
CCn1cc(C(=O)NCCCN2CC(C)CC(C)C2)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21,CID5309756,,,,,,0.0,0.0,,,,,,,,,,
Cc1cc(C)c2nc(NC(=O)c3cc(C)on3)sc2c1,CID2555125,,,,,,,,,,0.0,,0.0,,,,,
CCc1ccc2nc(NC(=O)c3cc(C)on3)sc2c1,CID2115176,0.0,0.0,,,0.0,,,,,,,0.0,,,,0.0,0.0
CN1C(=O)c2ccccc2Sc2ccc(C(=O)N3CCC4(CC3)OCCO4)cc21,CID3240545,,,,,,0.0,,,,0.0,,,,,,,0.0
CCN1C(=O)c2ccccc2Sc2ccc(C(=O)N3CCC4(CC3)OCCO4)cc21,CID3243776,,,,0.0,,0.0,,,,,,,,,,,0.0
Oc1c(C(c2cccs2)N2CCC3(CC2)OCCO3)sc2ncnn12,CID4584595,0.0,0.0,0.0,,0.0,0.0,,,,,,,,,,0.0,
Cc1nc2sc(C(c3cccs3)N3CCC4(CC3)OCCO4)c(O)n2n1,CID3245635,0.0,0.0,,,0.0,,0.0,,,,,,,,,0.0,
CC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)N3CCc4ccccc4C3)ccc21,CID3240547,,,,,,0.0,,0.0,0.0,,,,,,,0.0,0.0
CCC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)N3CCc4ccccc4C3)ccc21,CID3244868,,,,,,0.0,,0.0,,0.0,,,,,,0.0,
CCNC(=O)CN1C(=O)NC2(CCCc3cc(OC)ccc32)C1=O,CID3343908,,,,,,,,,,,0.0,,,,,,
COc1ccc2c(c1)CCCC21NC(=O)NC1=O,CID2998139,,,0.0,0.0,,,,,,0.0,0.0,0.0,,0.0,,,
O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccco1,CID705702,0.0,,,0.0,,0.0,0.0,,,,,,,,,,
Cc1ccc(Oc2ccc(NC(=O)c3ccco3)cc2)cc1,CID831035,0.0,,,,,0.0,,,,,0.0,,0.0,,,,
CC1(C)CC(=O)C2=C(C1)Nc1[nH]n(-c3ccccc3)c(=O)c1C2c1ccc2c(c1)OCO2,CID2956882,0.0,,0.0,,,,,0.0,,,,0.0,,,,,
O=C1CCCC2=C1C(c1ccc3c(c1)OCO3)c1c([nH]n(-c3ccccc3)c1=O)N2,CID663842,0.0,,0.0,,,,,0.0,0.0,,,0.0,,,,,0.0
O=C(CCCc1nc(-c2ccccc2Cl)no1)NCc1cccnc1,CID666238,0.0,0.0,0.0,,,0.0,0.0,,,,,,0.0,,,0.0,
O=C(CCCc1nc(-c2ccccc2)no1)NCc1cccnc1,CID666965,,,0.0,,,,,,,,0.0,,0.0,,,,
O=C1CC(N2CCC(c3nc4ccccc4s3)CC2)C(=O)N1,CID2950485,0.0,,,0.0,0.0,,,0.0,,,,,0.0,,,,
CN1C(=O)CC(N2CCC(c3nc4ccccc4s3)CC2)C1=O,CID2951773,0.0,0.0,0.0,,0.0,,,0.0,,,0.0,,,,,,
COc1cccc(-c2cc3nc4c(c(N5CCC6(CC5)OCCO6)n3n2)CCC4)c1,CID1441274,,,,,,,,,,,,,,,0.0,,
COc1ccc(-c2cc3nc4c(c(N5CCC6(CC5)OCCO6)n3n2)CCC4)cc1,CID1441213,,,,,,,,,,,,,,,0.0,,
Cc1ccc(S(=O)(=O)NCc2n[nH]c(=S)n2C)cc1,CID1476140,,,,,,,,,,,,0.0,,,,,
Cn1c(CNS(=O)(=O)c2ccc(F)cc2)n[nH]c1=S,CID1476083,,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2ccc(SCC(=O)Nc3cc(C)on3)nn2)cc1OC,CID647817,0.0,,0.0,,0.0,,,,0.0,,0.0,,0.0,,0.0,,
Cc1cc(NC(=O)CSc2ccc(-c3ccccc3)nn2)no1,CID3228051,,,,,,,,,0.0,,0.0,,,,,,
O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1ccccc1-c1ccccc1,CID1148538,,0.0,0.0,,,,,,,,,,,,,,
CC(C(=O)Nc1ccccc1-c1ccccc1)N1CCN(C(=O)c2ccco2)CC1,CID2998226,0.0,,0.0,,,,,,,,,,,,,,0.0
O=C(COc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)N1CCOCC1,CID582054,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)N3CCOCC3)cc2)cc1,CID2334634,,,,,,0.0,,,,,0.0,,,,,,
CC(=O)c1c(C)[nH]c(C(=O)NCCN2CCC(C)CC2)c1C,CID3239996,0.0,0.0,,,,0.0,,0.0,,,0.0,,,,,0.0,
CCC1CCCCN1CCNC(=O)c1[nH]c(C)c(C(C)=O)c1C,CID3241671,,,,,,0.0,,,,,0.0,,,,,0.0,
O=C(COc1cccc2cccnc12)N1CCc2ccccc21,CID757469,,,,,,,,,,,,,,0.0,,,
Cc1ccc2cccc(OCC(=O)N3CCc4ccccc43)c2n1,CID2461903,,,,,,,,,,,,,,0.0,,,
O=C1C(=CNC2CC2)C(=O)c2ccccc21,CID780283,,,,,,,,,,0.0,,,,,,,
CC(NC1CC1)=C1C(=O)c2ccccc2C1=O,CID780184,,,,,,,,,,0.0,,,,,,,
Cc1ccc2c(c1)NC(=O)C(CC(=O)Nc1ccc(CN3CCC(C)CC3)cc1)O2,CID5308739,0.0,,0.0,,,,0.0,0.0,,,,,,,,0.0,1.0
CC1CCN(Cc2ccc(NC(=O)CC3Oc4ccccc4NC3=O)cc2)CC1,CID5309635,0.0,,,,,,,0.0,,,,,0.0,,0.0,,
CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C/NCC(C)C,CID6538203,,,,,,,,,,,0.0,,,,,,
CCCCCN/C=C1\C(=O)N(c2nc3ccccc3s2)N=C1C,CID5310602,,,0.0,,,0.0,,,,,,,,,,,
Cn1cc(S(=O)(=O)CC(=O)N2CCCc3ccccc32)c2ccccc21,CID2053102,,0.0,,,,,0.0,,,,,,,0.0,,,0.0
O=C(CS(=O)(=O)c1c[nH]c2ccccc12)N1CCCc2ccccc21,CID2053096,,,,,,,,,,,0.0,,,,,,
CCn1cc(S(=O)(=O)CC(=O)Nc2ccc3c(c2)OCO3)c2ccccc21,CID2053107,,,,0.0,,,,,,,,,,,,0.0,
Cn1cc(S(=O)(=O)CC(=O)Nc2ccc3c(c2)OCO3)c2ccccc21,CID2157557,,,0.0,,,,,,,,0.0,,,,,,
c1ccc(Nc2nc3ccccc3[nH]2)nc1,CID2999234,,,,,,,,0.0,,,,,,,,0.0,
Cc1ccc(Nc2nc3ccccc3[nH]2)nc1,CID1214909,,,,,,,,,,,,0.0,,0.0,,,
CC(=O)Oc1c(S(=O)(=O)c2ccc(C)cc2)c(C)nn1-c1ccccc1,CID3239162,,,,,,,,0.0,,0.0,0.0,,,,,,0.0
COCC(=O)Oc1c(S(=O)(=O)c2ccc(C)cc2)c(C)nn1-c1ccccc1,CID3241018,,,,,,,,0.0,,,,0.0,,,,,
Cc1nn(-c2ccccc2)c(C)c1/C=N/NS(=O)(=O)c1ccc(Cl)cc1,CID1009114,,,,,,,,,,,,0.0,,,,,
Cc1ccc(S(=O)(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2C)cc1,CID1008007,,,,,,,,,,,,0.0,,,,,
CN(CCc1ccccn1)S(=O)(=O)c1ccc(F)cc1,CID3244281,,,,,,,,0.0,,,,,,,,,
O=S(=O)(NCCc1ccccn1)c1ccc(F)c(F)c1,CID2432838,,,,,0.0,,,,,0.0,0.0,,,,0.0,,0.0
COc1ccc(CN/C=C2/C(=O)CNC2=O)cc1,CID1882674,,,,,,,,,,,0.0,0.0,,,,,
COc1ccc(CN/C=C2/C(=O)CNC2=O)cc1OC,CID1736387,,,0.0,0.0,0.0,,,,,,,,0.0,,,,
C=CCn1c(SCC(=O)c2cccs2)nc2ccccc2c1=O,CID2176362,,,,,,,,,,,,,,0.0,,,
C=CCn1c(SCC(=O)c2ccc(Cl)s2)nc2ccccc2c1=O,CID1310812,,,,,,,,,,,,,,0.0,,,
Cc1cc(C(F)(F)F)nc(SCc2ccc(C(=O)O)o2)n1,CID666743,,,,,0.0,,,,,,,,,,,,0.0
Cc1cc(C)nc(SCc2ccc(C(=O)O)o2)n1,CID654912,,,,,,,,,,,,0.0,0.0,,,,
Cn1c2ccccc2c2nnc(SCc3ccc4nonc4c3)nc21,CID2963033,,0.0,,,0.0,,0.0,,,,,,,,,,
C=CCn1c2ccccc2c2nnc(SCc3ccc4nonc4c3)nc21,CID2963029,,0.0,,0.0,0.0,,,,,0.0,,,,,,,
CCOC1OC(C(=O)N2CCN(C)CC2)=CC(c2csc3ccccc23)C1CCCO,CID16187143,,,,,,,,,,,,,,,0.0,,
CN1CCN(C(=O)C2=CC(c3csc4ccccc34)CC(OCCCCO)O2)CC1,CID16187171,,,,,,,,,,,,,,,0.0,,
Cn1c(N2CCOCC2)c(/C=N/O)c2ccccc21,CID4681152,,,,,,,,,,,,,,,0.0,,
CC(=O)O/N=C/c1c(N2CCOCC2)n(C)c2ccccc12,CID3831140,,,,,,0.0,,,,,,,,0.0,,,
COc1ccc(/N=C2\CCS(=O)(=O)c3sccc32)cc1,CID1477174,,,,,,,,,,,,,,0.0,0.0,,
O=S1(=O)CC/C(=N\c2ccc(Cl)cc2)c2ccsc21,CID1477187,,,,,,,,,,,,,,0.0,,,
COc1ccc(OCCCON2C(=O)c3ccccc3C2=O)cc1,CID2199345,,,,,,,,0.0,,,,,0.0,,,,
COc1ccc(OCC(O)CON2C(=O)c3ccccc3C2=O)cc1,CID2915766,,,0.0,,,,,,0.0,,,,,,,,
COc1ccccc1CNC(=O)CC(NS(=O)(=O)c1ccc(C)cc1)c1ccco1,CID3240261,,,,,0.0,,,,,,0.0,0.0,,,,,0.0
COc1ccc(S(=O)(=O)NC(CC(=O)NCc2ccccc2OC)c2ccco2)cc1,CID3240333,,,,0.0,0.0,,,,,,0.0,,,,,,
O=C(c1ccccn1)N(Cc1cc2ccccc2[nH]c1=O)C1CCCCC1,CID665086,0.0,,0.0,0.0,,,0.0,,0.0,0.0,,0.0,,,,,0.0
COc1ccc2[nH]c(=O)c(CN(C(=O)c3ccccn3)C3CCCCC3)cc2c1,CID665259,0.0,,0.0,0.0,0.0,,,0.0,0.0,0.0,0.0,0.0,0.0,,,,0.0
Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2,CID649735,0.0,,0.0,,0.0,,,,,,,,,,,0.0,
CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2,CID2214925,0.0,,,,0.0,,0.0,,,,0.0,,,,,,0.0
CCc1nnc(SCC(=O)Nc2ccc(C(C)=O)cc2)nc1CC,CID649737,,0.0,0.0,,,,,0.0,0.0,,,,0.0,,,,
CCc1nnc(SCC(=O)Nc2ccccc2)nc1CC,CID652194,,0.0,0.0,,,0.0,,0.0,,0.0,,,,,,0.0,
CN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CC(N)=O)CC1,CID645735,,,,0.0,,,,,,,,,,,,,
CCCn1c(N2CCN(C)CC2)nc2c1c(=O)[nH]c(=O)n2C,CID776247,,,,,,,,,,,,0.0,,,,,
O=C(c1cnn2cccnc12)N1CCN(c2ccccc2)CC1,CID1939424,,0.0,,0.0,,,,,,,,0.0,0.0,,,,
COc1ccccc1N1CCN(C(=O)c2cnn3cccnc23)CC1,CID755931,,,,,,,,,,,,,,,,0.0,
CCN1CCN(c2cc(C)c3cc(NC(=O)c4ccc(Br)o4)ccc3n2)CC1,CID3238387,,,,,,,,,0.0,,,,,,,,
Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)c3ccc(Br)o3)cc12,CID3240925,,,,,,,,,0.0,,0.0,,,,0.0,,
COc1cc(C=O)ccc1OCc1c(C)noc1C,CID2474265,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1ccc(OCc2c(C)noc2C)cc1,CID705269,,,,,,0.0,,,,,,,,,0.0,,
COc1cccc(-c2ccc(=O)n(CC(=O)NCCN3CCOCC3)n2)c1,CID653204,,,0.0,0.0,,,,,,,,,,,,,
O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)NCCN1CCOCC1,CID4422325,0.0,,,,,,,,,,,,,,,,0.0
O=C(c1cc2ccccc2oc1=O)N1CCN(c2ncccn2)CC1,CID829746,,,,,,,,,,,,,,0.0,,,
COc1cccc2cc(C(=O)N3CCN(c4ncccn4)CC3)c(=O)oc12,CID1245179,,,,0.0,,,,0.0,,,,,,,,,
CCCCn1nnnc1NCc1ccc(C)s1,CID1817884,,,,,,,,,,0.0,,,,,,,
CCCCn1nnnc1NCc1cccs1,CID1817890,,,,0.0,,,0.0,,,0.0,,,0.0,,0.0,,
Cc1cc(C(=O)COc2nncc3ccccc23)c(C)n1C,CID2999957,0.0,0.0,0.0,,,,,,0.0,,,,,,,,
C=CCn1c(C)cc(C(=O)COc2nncc3ccccc23)c1C,CID2997979,,0.0,,,,0.0,0.0,,,,,,,,,,
CC(Sc1n[nH]c(N)n1)C(=O)C12CC3CC(CC(C3)C1)C2,CID4877137,,,,,,,,,0.0,,,0.0,,,,,
Nc1nc(SCC(=O)C23CC4CC(CC(C4)C2)C3)n[nH]1,CID2383068,,0.0,,0.0,,,,,,0.0,,,,,,,
COc1ccc(N(C(=O)c2cnccn2)C(C(=O)NC2CCCCC2)c2ccc(O)cc2)cc1,CID3184711,,,,,,,,,,,,,,0.0,,,
COc1ccc(N(C(=O)c2cnccn2)C(C(=O)NC2CCCCC2)c2ccc(Cl)cc2)cc1,CID3184813,,,,,,,,,,,0.0,,,,,,
O=C(CSc1cccc2cccnc12)NCc1ccco1,CID2306374,0.0,,,0.0,0.0,,,,,,,0.0,0.0,,,,0.0
Cc1ccc2cccc(SCC(=O)NCc3ccco3)c2n1,CID647562,,,,0.0,0.0,,0.0,,,,,,,,,,0.0
O=C(COc1ccc(-c2nnco2)cc1)NCc1ccccc1Cl,CID2123998,,,,,,,,,,,,,,0.0,,,
CN(Cc1ccccc1)C(=O)COc1ccc(-c2nnco2)cc1,CID2426711,,,,,,,,,,,,,,,0.0,,
O=C(c1ccccc1)c1cn(CC(=O)N2CCCC2)c2ccccc12,CID963166,0.0,,,,,,,,0.0,,0.0,,0.0,,,,
O=C(c1ccccc1F)c1cn(CC(=O)N2CCCC2)c2ccccc12,CID1095462,,,,,,,,,,,,0.0,,0.0,,,
CC(=O)/C=C1\NC(=O)c2c(C)cc(C)nc2N1c1ccccc1,CID5400753,,,,,,,,0.0,,,,,,,,,
COc1ccc(N2/C(=C/C(C)=O)NC(=O)c3c(C)cc(C)nc32)cc1,CID5294436,,,,,,,,0.0,,,,,,,,,
COC(=O)c1ccc2c(=O)n(CCCN3CCCC3=O)c(=S)[nH]c2c1,CID1857244,,,,,,,0.0,,,,,,,,,0.0,0.0
CCOc1cc2[nH]c(=S)n(CCCN3CCCC3=O)c(=O)c2cc1OCC,CID3240295,,,,,,,,,0.0,,,,0.0,,,0.0,
O=C(NCCn1cc(SCC(=O)N2CCOCC2)c2ccccc21)c1ccccc1,CID4179474,,,0.0,,0.0,,,0.0,,,0.0,,,,,,
COc1ccc(C(=O)NCCn2cc(SCC(=O)N3CCOCC3)c3ccccc32)cc1,CID3236279,,,0.0,,0.0,,,,,,,,,,,,0.0
CCn1nnc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)n1,CID646502,0.0,0.0,,0.0,,,0.0,,,,,,,,,,
CCCCn1nnc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)n1,CID1855370,,,,,,0.0,,,,,,,,,,,
C=CCN(C(=O)CCC(=O)Nc1cc(C)on1)C(C(=O)NC(C)(C)C)c1cccc(OC)c1OC,CID648349,,0.0,,,,,,,,,,,,,,,
COc1cccc(C(C(=O)NC(C)(C)C)N(C(=O)CCC(=O)Nc2cc(C)on2)C(C)C)c1OC,CID650319,,,,,,,0.0,0.0,,,,,0.0,,,,
CCN1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1,CID648348,,0.0,,,0.0,,,,,,,,,,,,
CCCN1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1,CID655192,,0.0,,0.0,0.0,,,,,,,,,,,,
CC(C)C(C)(C#N)NC(=O)CSc1nc2scc(-c3ccco3)c2c(=O)n1-c1ccccc1,CID2998553,,,,0.0,,,,,,0.0,0.0,,,,,0.0,0.0
NC(=O)CSc1nc2scc(-c3ccco3)c2c(=O)n1-c1ccccc1,CID2077582,,0.0,,0.0,0.0,,,,0.0,0.0,,,,0.0,0.0,,
N#CCCn1c(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)nc2ccccc21,CID2998557,,0.0,,,0.0,,,,,,0.0,,,,,0.0,1.0
CC(C)Cn1c(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)nc2ccccc21,CID2998354,,,0.0,,0.0,0.0,0.0,,,,0.0,,,,,0.0,
CCOc1ccc(Nc2nc(Cc3nnc(SCC(=O)O)o3)cs2)cc1,CID647410,0.0,0.0,0.0,0.0,0.0,,,,0.0,,0.0,,,,,0.0,0.0
CCOc1ccc(Nc2nc(Cc3nnc(SCC(N)=O)o3)cs2)cc1,CID646505,,0.0,,,,,,,,,,,,0.0,,0.0,
O=C(Oc1ccc(OC(=O)c2ccncc2)cc1)c1ccncc1,CID3236860,,,0.0,,,,0.0,,,,,,,,,,
CC(=O)c1cc(OC(=O)c2ccncc2)ccc1OC(=O)c1ccncc1,CID1193906,,,,,,,,,,,,,0.0,,,,
CC(NC(=O)C1CCC1)c1ccc(Cl)cc1,CID2918269,0.0,,,0.0,,,,,,0.0,,,,0.0,,,
CC(NC(=O)C1CCC1)c1ccccc1,CID2918953,,,,0.0,,,0.0,,,,,0.0,,,,0.0,
O=c1cc(N2CCOCC2)[nH]c(=O)n1Cc1ccc(F)cc1,CID4621937,,,0.0,,,,,,,,,,,,,,
CC1CN(c2cc(=O)n(Cc3ccc(F)cc3)c(=O)[nH]2)CC(C)O1,CID5310075,,,,,,0.0,,,,,,0.0,,,0.0,,
Cc1ncc2c(c1OC(=O)c1ccc([N+](=O)[O-])cc1)COC(C)(C)OC2,CID4586919,,,,,,,,,0.0,,,,,,,,
Cc1ncc2c(c1OC(=O)c1ccccc1)COC(C)(C)OC2,CID3243861,,,,,,,,,,,,,0.0,,,,
COCCCn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccncc1,CID650079,0.0,0.0,0.0,,0.0,,,0.0,,,0.0,0.0,0.0,,,0.0,
CCCn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccncc1,CID644715,0.0,,,,0.0,,0.0,0.0,,,,,0.0,,,0.0,
Cc1sc(NC(=S)NC(=O)c2ccccc2)c(C#N)c1C,CID899430,,,,,,,,,0.0,0.0,0.0,,,,,,
Cc1sc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)c(C#N)c1C,CID1256216,,,,,,,,,,0.0,,,,,,,
CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NCc2cccnc2)cc1,CID1316483,,,,,,,,,,,,,,,0.0,,
Cc1ccc(CN(c2ccc(C(=O)NCc3cccnc3)cc2)S(C)(=O)=O)cc1,CID1320448,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C(C(=O)NC(C)(C)C)N(Cc2ccco2)C(=O)Cn2nnc(-c3cccs3)n2)cc1,CID3190070,,,,,,,,,,,0.0,,,,0.0,,
CC(C)(C)NC(=O)C(c1ccc(O)cc1)N(Cc1ccco1)C(=O)Cn1nnc(-c2cccs2)n1,CID3190081,,,,,,,,,,,0.0,,,,,,
CNc1ccccc(C(=O)/C=C/c2ccccc2OC)c1=O,CID8219209,,,,,,,,,,,,,,0.0,,,
CCNc1ccc(Br)cc(C(=O)/C=C/c2ccccc2Cl)c1=O,CID7314646,,,,,,,,,,,0.0,0.0,,,,,
O=C1/C(=C/c2cccnc2)Sc2ccccc21,CID1721016,,,,,,,,,,,,,,,0.0,,
O=C1/C(=C\c2cccnc2)Sc2ccccc21,CID1721018,,,,,,,,,,,,,,,0.0,,
COC(=O)c1sccc1NC(=O)CSc1nnnn1-c1ccccc1F,CID2219283,,0.0,0.0,,0.0,,,,,,,,0.0,,,,0.0
COC(=O)c1sccc1NC(=O)CSc1nnnn1-c1ccccc1C,CID2213906,,,,,,,,,0.0,0.0,0.0,,,,,,
COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCc5ccccc5C4)c3n2)cc1,CID1094049,,,,,,,,,,,,,,,0.0,,
Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCc5ccccc5C4)c3n2)cc1,CID1093989,,,,,,,,,,,,,,,0.0,,
COc1ccccc1CNC(=O)CCNC(=O)Cn1cnc2ccccc2c1=O,CID3245794,,,,,,,,,,,,,0.0,,0.0,,
CN(Cc1ccccc1)C(=O)CCNC(=O)Cn1cnc2ccccc2c1=O,CID3242457,,0.0,,,,0.0,,0.0,,,,,,,,,
CC(=O)c1cc2c(cc1NC(=O)CSc1nnc(C)s1)OCO2,CID1152787,0.0,0.0,,0.0,0.0,,0.0,,0.0,,,,,0.0,,,
O=C(CSc1nncs1)Nc1ccc2c(c1)OCO2,CID2532363,,,,,,,,,,,,,,0.0,,,
Cc1cc2cc(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc2n1C,CID3251511,,,,,,,,,,,,,,,0.0,,
Cc1cc2cc(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc2[nH]1,CID4079831,,,,,0.0,,,,,,,,0.0,,,,0.0
COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1nc2ccccc2s1,CID1540788,,,,,0.0,,0.0,,,,,,0.0,0.0,,0.0,0.0
COc1ccc2nc(NC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)sc2c1,CID2425146,,,,,,,,,,,0.0,,,,,,
CC1(C)CC(NC(=O)c2coc(=O)c(Br)c2)CC(C)(C)N1,CID661226,0.0,,,,,,0.0,,0.0,,0.0,0.0,,,,0.0,0.0
Cc1cc(=O)oc(C)c1C(=O)NC1CC(C)(C)NC(C)(C)C1,CID661977,0.0,0.0,,,,,0.0,,0.0,,,0.0,,,,,0.0
CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CN(C)CC3)OC(N)=C(C#N)C1c1ccccc1,CID657981,,,0.0,,0.0,,,,,,,,,,,0.0,
COC(=O)C1=C(CSc2nc3c(cc2C#N)CN(C)CC3)OC(N)=C(C#N)C1c1ccccc1F,CID3320815,,,,,,,,,,,,,,0.0,,,
COc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2)cc1,CID1728493,,,,,,0.0,,,,,,,,,,,
O=S(=O)(Oc1ccc2ccccc2c1)c1ccc(F)cc1,CID1728491,,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccccn1)c1ccco1,CID654024,,0.0,,,,,0.0,,,,,,,,,,
O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cn1)c1ccco1,CID2192108,0.0,,,,,,,,,,,,,,,,0.0
Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1cccnc1,CID651652,0.0,0.0,,0.0,0.0,,0.0,,,,,,,,0.0,,
Cc1nnc2sc(-c3cccc(NC(=O)c4cccnc4)c3)nn12,CID953585,,,,0.0,0.0,,,,,,0.0,,0.0,,,,
Cc1ccc(CN(c2ccc(C(=O)N3CCc4ccccc4C3)cc2)S(C)(=O)=O)cc1,CID1311504,,,,,,,,,,0.0,0.0,,,,,,
Cc1ccccc1CN(c1ccc(C(=O)N2CCc3ccccc3C2)cc1)S(C)(=O)=O,CID1306466,,,,,,0.0,,,,,0.0,,,,0.0,,
N/C(=N\OC(=O)c1cccs1)c1cccc([N+](=O)[O-])c1,CID2797547,,,,,,,,,,,,,,0.0,,,
Cc1cccc(/C(N)=N/OC(=O)c2cccs2)c1,CID9586568,,,,,,0.0,,,,,,,,0.0,,,
O=C(CCSc1ccccc1)Nc1nccs1,CID1252000,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C(=O)c1csc(NC(=O)CCSc2ccc(C)cc2)n1,CID2444838,,,,,,,,,,,,,,0.0,,,
CC(C)OC(=O)CSc1nc2cccnc2n1C1CCCCC1,CID656322,0.0,,,,,,0.0,,,0.0,,,0.0,0.0,,,
CCOC(=O)CNC(=O)CSc1nc2cccnc2n1C1CCCCC1,CID645427,,,0.0,,,,,0.0,,,0.0,,,,,,
CC(C)c1cc(=O)oc2c3c4c(cc12)CCCN4CCC3,CID831331,,0.0,,,,,,,,,,,,,,0.0,
Cc1c(C=O)c(=O)oc2c3c4c(cc12)CCCN4CCC3,CID701775,,,,,,0.0,,,,,,,,,,,
C=CCn1c(=O)c2ccccc2n2c(SCc3cc(=O)n4ccsc4n3)nnc12,CID2110751,,0.0,,,,,,,,,,,,,,0.0,0.0
CCCn1c(=O)c2ccccc2n2c(SCc3cc(=O)n4ccsc4n3)nnc12,CID2493079,,,,0.0,,,0.0,,,,,,,,,0.0,
CC(=O)Nc1ccccc1-c1nc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2[nH]c1=O,CID6324538,,,0.0,,,,,,,,,,,,,,
CC(=O)Nc1ccccc1-c1nc2ccc(C(=O)N3CCN(c4cc(C)ccc4C)CC3)cc2[nH]c1=O,CID9551426,,,,,,,,,,0.0,,,,,,,
COC(=O)c1c(NC(=O)c2ccoc2C)sc2c1CCC2,CID896090,,,0.0,0.0,0.0,,0.0,0.0,0.0,,,,0.0,,,,
CCOC(=O)c1c(NC(=O)c2ccoc2C)sc2c1CCC2,CID898956,,,0.0,0.0,0.0,,0.0,,,,,,,0.0,,,
Cc1ccc(C)c(C(=O)CN2C(=O)CCC2=O)c1,CID2113808,,,,,,0.0,0.0,0.0,,,,0.0,,,,,
Cc1cc(C)c(C(=O)CN2C(=O)CCC2=O)cc1C,CID2127009,,0.0,0.0,,,,0.0,0.0,,,,,0.0,,,,
CCOc1ccc(NC(=O)c2cn(-c3ccc(OCC)cc3)c(=O)c3cc(OC)c(OC)cc23)cc1,CID5224943,,,,,,,,,,,,0.0,,,,,
CCOc1ccc(-n2cc(C(=O)Nc3cccc(OC)c3)c3cc(OC)c(OC)cc3c2=O)cc1,CID4694948,,,,,,0.0,,,,,,,,,,,
CC1Cc2ccccc2N1C(=O)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1,CID5308477,,0.0,,,,,,0.0,,,,,,,,,
O=C(C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1)N1CCc2ccccc21,CID5309610,,,,,,,,,,,,,,,,,0.0
COC(=O)c1sc2ncn(-n3c(C)ccc3C)c(=O)c2c1C,CID1536979,,,,,,,,,,0.0,,0.0,,,,,
Cc1sc2ncn(-n3c(C)ccc3C)c(=O)c2c1C,CID1186319,,0.0,0.0,,,,,,,0.0,,,,,0.0,0.0,0.0
COC(=O)c1ccc(COn2nnc3ccccc32)cc1,CID2480174,,,,,,,,,,,,,,0.0,,,
Clc1ccc(COn2nnc3ccccc32)c(Cl)c1,CID682205,0.0,,0.0,,,,,,,,,,,,,,
CCN1C(=O)/C(=C2/C=CC=CN2C)OC1=S,CID1965859,,,,0.0,,,,,,,,,,,,,
CN1C(=O)/C(=C2/C=CC=CN2C)OC1=S,CID2259955,,,,,,0.0,,,,,,,0.0,,,,
O=C(c1oc(=O)c2ccccc2c1-c1ccccc1)N1CCOCC1,CID3243262,,,,,,0.0,,,0.0,,,,,,,,0.0
Cc1ccc(-c2c(C(=O)N3CCOCC3)oc(=O)c3ccccc23)cc1,CID5308474,,,,,,0.0,,,,,,,,,0.0,,
O=C(CCN1CCN(CCO)CC1)Nc1ccc(OCc2ccccc2)cc1,CID648849,,,0.0,0.0,,,,0.0,,,,,0.0,,,0.0,0.0
CN1CCN(CCC(=O)Nc2ccc(OCc3ccccc3)cc2)CC1,CID574794,0.0,0.0,0.0,,,,,,,,,0.0,,,,,
O=C(N/N=C/c1coc2ccccc2c1=O)c1cn(-c2ccccc2)nc1-c1ccccc1,CID2322024,,,,,,,,,,,,,,,0.0,,
O=C(N/N=C/c1coc2ccccc2c1=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1,CID2322035,,,,,,,,,,,,,,,0.0,,
O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1cn(-c2ccccc2)nc1-c1ccccc1,CID2322022,,,,,,,,,,,,,,,0.0,,
O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1,CID2322027,,,,,,,,,,,,,,0.0,,,
c1ccc(Cc2nn3c(-c4ccncc4)nnc3s2)cc1,CID1234087,,,,,,,,,,,0.0,,0.0,,,,
Clc1ccc(Cc2nn3c(-c4ccncc4)nnc3s2)cc1,CID666528,,0.0,,0.0,,,,,,,0.0,,0.0,,,,
CCCN1Cc2cccc(C(=O)NCc3ccc4c(c3)OCO4)c2C1=O,CID3237226,,,,0.0,,,0.0,,,,,,0.0,,,,0.0
COCCN1Cc2cccc(C(=O)NCc3ccc4c(c3)OCO4)c2C1=O,CID3241483,,,0.0,,,,,0.0,,,,,,,,,
O=C(c1cccc(F)c1)N1CCN(C(=O)c2cc3ncc(Br)cn3n2)CC1,CID2240091,,,,,,,,,,,0.0,,,,,,
O=C(c1cccc(F)c1)N1CCN(C(=O)c2nn3cccnc3c2Cl)CC1,CID1257441,,,0.0,,,,,,,,,,,,,,
CCOC(=O)N1CCN(C(=O)CN2C(=O)COc3ccc(C)cc32)CC1,CID3240193,,,,,,,,,,,0.0,,,,,,
CCOC(=O)N1CCN(C(=O)CN2C(=O)COc3ccc(C(C)(C)C)cc32)CC1,CID3240337,,,,,,,,0.0,,,,,0.0,,,,
COc1ccc(CNC(=O)Oc2ccccc2)cc1Cl,CID1485503,,,,,,,,,,0.0,,,,,,,
O=C(NCc1ccccc1)Oc1cccc(Cl)c1,CID850172,,,,,,,,,,0.0,,,,,,,
CCC(Sc1ccc2nnc(-c3cccnc3)n2n1)C(=O)O,CID5310114,,,0.0,,,,,,,,,,,,,,
CCOC(=O)CSc1ccc2nnc(-c3cccnc3)n2n1,CID5310070,,0.0,,,,,,,,,,,,,,,
CCCC(C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)c1snc(C(N)=O)c1N,CID650225,,,,,,,,,0.0,,,,,,,,
CC(C)CC(C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)c1snc(C(N)=O)c1N,CID3180069,,,,,,,,,0.0,0.0,,0.0,,,,,
COc1ccc(CCNC(=O)CSc2nncn2N)cc1OC,CID650221,,,,,,,,0.0,,0.0,,,,,,,
Cn1cnnc1SCC(=O)NCCc1ccccc1,CID2362783,,,,,,,,,,0.0,,0.0,,,,,
O=C1/C(=C/c2ccccc2)SC(=S)N1/N=C/c1ccccc1,CID5337705,,,,,,0.0,,,,,,,,,,,
CN(C)c1ccc(/C=C2\SC(=S)N(/N=C/c3ccc(N(C)C)cc3)C2=O)cc1,CID5337704,,,,,,0.0,,,,,,,,,,,
Cc1ccccc1-n1nnnc1Sc1nnnn1-c1ccccc1,CID4885033,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C)c(-n2nnnc2Sc2nnnn2-c2ccccc2)c1,CID2649844,,0.0,,,0.0,,,,,,0.0,,,,,,
O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)NC1=NCCS1,CID2942137,,,,0.0,0.0,,,,,,0.0,,,,,,
CC(C)C(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC1=NCCS1,CID2936238,,,,0.0,,,,0.0,,,,,,,,,
COc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1NC(=O)c1ccco1,CID1090058,,,,,,,,,0.0,,,,,,,,
Cc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1NC(=O)c1ccco1,CID1090057,,,,,,,,,0.0,0.0,,,,0.0,,,
CCC(C)(C)n1nnnc1C(c1cc2ccc(OC)cc2[nH]c1=O)N1CCCCC1,CID3183322,,,,,,,,,,,,0.0,,,0.0,,
COc1cc2cc(C(c3nnnn3C(C)(C)C)N3CCC(C)CC3)c(=O)[nH]c2cc1OC,CID3187839,,,,,,,,,,,,,,0.0,,,
O=C(NCc1ccco1)C1CCCCN1S(=O)(=O)c1ccc(F)cc1,CID3242484,,,,,,,,0.0,,,,,0.0,,,,0.0
Cc1ccc(S(=O)(=O)N2CCCCC2C(=O)NCc2ccco2)cc1,CID2998614,,,0.0,,,,,0.0,,,,,,,,,
Cc1cc(NC(=O)COc2nnc(-c3ccccc3)c3ccccc23)no1,CID2997710,0.0,,,,,,0.0,,,,0.0,,0.0,,,,
Cc1ccc(C)c(-c2nnc(OCC(=O)Nc3cc(C)on3)c3ccccc23)c1,CID2997645,,0.0,0.0,,,,,0.0,0.0,,0.0,0.0,0.0,,,,
O=S(=O)(c1ccc(Cl)cc1)N1CC1c1ccccc1,CID2784017,,,,,,,,,,,,,,0.0,,,
O=S(=O)(c1ccccc1)N1CC1c1ccccc1,CID576325,,,,,,,,,,,,,,,0.0,,
Cn1c(CNC(=O)c2ccco2)nnc1SCC(=O)N1c2ccccc2Sc2ccccc21,CID1265467,,0.0,,,0.0,,,,0.0,0.0,,,,,,,
C=CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)N1c2ccccc2Sc2ccccc21,CID1243326,,,,,,,,,,0.0,0.0,0.0,,,,,
CC(C)c1ccccc1NC(=O)c1cccc(NC(=O)c2ccccc2)c1,CID2163001,,,,,,,,,,,,0.0,,,,,
CCc1cccc(CC)c1NC(=O)c1cccc(NC(=O)c2ccccc2)c1,CID1292521,,,,,,0.0,,,,,,0.0,,,,,
COC(=O)c1ccc(OCC2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccco2)cc1,CID3235712,,,0.0,,,,,,,,,,,,,,
COc1cc2c(cc1OC)C(COc1ccc(F)cc1)N(C(=O)c1ccco1)CC2,CID3239157,,,,,,,,0.0,,,,,,,,,
O=C(Cc1cccs1)NCc1ccc2c(c1)OCO2,CID670790,,,0.0,,0.0,,0.0,,,,,,0.0,0.0,,,0.0
CC(NC(=O)Cc1cccs1)c1ccc2c(c1)OCO2,CID2970888,,,,,0.0,,,,,0.0,,,,,,,
COc1cccc(Nc2nnc(SCC(=O)N3CCOCC3)s2)c1,CID2559488,0.0,0.0,0.0,0.0,0.0,0.0,0.0,,0.0,,0.0,,,0.0,,,
COc1cccc(Nc2nnc(SCC(=O)N3CC(C)OC(C)C3)s2)c1,CID2998079,0.0,0.0,0.0,,0.0,,,,0.0,0.0,0.0,,0.0,,,0.0,
CC1(C)Cc2ccccc2-c2c1c(=O)n(-c1ccccc1)c1nnnn21,CID657723,,0.0,0.0,,,,,,,,,,,,,,
CCC1(C)Cc2ccccc2-c2c1c(=O)n(-c1ccc(C)cc1)c1nnnn21,CID2946342,,,,,,,,,,,,,,,0.0,,
CC(C)Cc1nc(=O)[nH][nH]1,CID657724,,,0.0,,,,,,,,,,,,,,
CCCc1nc(=O)[nH][nH]1,CID657492,,,0.0,0.0,,,,,,,,,,,,,
Cc1ccc2c(c1)NCC(C(=O)NC1CCC(C)CC1)O2,CID3616167,,,,0.0,,,,0.0,,0.0,,,,,,0.0,
Cc1ccc2c(c1)NCC(C(=O)NC1CCCCC1)O2,CID3237405,,,,,,,,,,,,0.0,,,,0.0,
Cc1noc(NS(=O)(=O)c2ccc(N/C=C/C(=O)c3ccc4c(c3)OCO4)cc2)c1C,CID2183797,,,,,0.0,,,0.0,,,,,,,0.0,,0.0
Cc1noc(NS(=O)(=O)c2ccc(N/C=C\C(=O)c3ccc4c(c3)OCO4)cc2)c1C,CID5730856,,,,,,0.0,,,0.0,,,,,,,,
CCC(=O)c1ccc(OCC(=O)OCC(=O)Nc2sccc2C(N)=O)cc1,CID2620779,,,,,,,,,,,,,,0.0,,,
NC(=O)c1ccsc1NC(=O)COC(=O)COc1ccccc1F,CID2603963,,,,,,,,,,,,,,0.0,,,
NC1=C(NNc2cccc(Cl)c2)C(=O)N=N1,CID5855136,,,,,,,,,,,,,,,0.0,,
CC1=C(NNc2ccc(C)cc2C)C(=O)N=N1,CID5717823,,,,,,,,,,0.0,,,,,0.0,,
CCCSc1nc(SCC(=O)NCc2ccccc2)c2c3c(sc2n1)COC(C)(C)C3,CID2043296,,,,,,,,,0.0,,,,,0.0,,,
CCCSc1nc(SCC(=O)NCc2ccccc2)c2c3c(sc2n1)COC(C)(CC)C3,CID4370638,,,,,,0.0,,,,,,,,,,,
COc1cc(/C=C/C(=O)N2CCOCC2)ccc1OCc1ccccc1,CID1188931,,,,,,,,,,,,,,,0.0,,
COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OCc1ccccc1,CID2168932,,,,,,,,,,,,,,0.0,,,
CN1CCN(C(c2cccc(C(F)(F)F)c2)c2nnnn2Cc2ccccc2)CC1,CID646451,0.0,,,,,,,,,,,,,,,,
CN1CCN(C(c2ccccc2)c2nnnn2Cc2ccccc2)CC1,CID3201696,,,,,,,,,,,0.0,,,,,,
Cc1ccc(-n2c(SCC(=O)Nc3ccc4c(c3)OCO4)nnc2-c2ccoc2C)cc1,CID646452,0.0,,0.0,0.0,0.0,0.0,,,,,,0.0,0.0,,,,0.0
Cc1cccc(-n2c(SCC(=O)Nc3ccc4c(c3)OCO4)nnc2-c2ccoc2C)c1,CID649212,0.0,,,,0.0,,,,,,,,0.0,,,,0.0
O=C(CSc1nc2ccccc2o1)Nc1ccc(N2CCOCC2)cc1,CID1085027,0.0,,0.0,,0.0,,,0.0,,,,,0.0,,,0.0,0.0
O=C(CSc1nc2ccccc2o1)Nc1ccc(N2CCOCC2)c(Cl)c1,CID1300948,1.0,0.0,,0.0,0.0,,,,,,,,,,,,0.0
CC(=O)N1CCN(c2ccc(NC(=O)c3ccc4c(c3)OCCO4)cc2)CC1,CID654919,0.0,,,,,,,,0.0,,,,0.0,,,0.0,
CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc4c(c3)OCCO4)cc2Cl)CC1,CID1255859,,,,,,,,,,0.0,,0.0,,,,,
c1cc2nncn2nc1N1CCCC1,CID647722,,,,0.0,,,,0.0,,,,,,0.0,,,
Cc1nnc2ccc(N3CCCC3)nn12,CID869579,,0.0,0.0,0.0,,,0.0,,,,,0.0,,,,,
COc1ccc(C(=O)NNC(=S)NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1,CID1766005,,,,,,0.0,,,,,,,,,,,
CCCOc1ccc(C(=O)NNC(=S)NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1,CID1766009,,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccccc1)C1CCN(c2nccs2)CC1,CID651032,0.0,,,,0.0,,0.0,,,,0.0,,,,,0.0,
Cc1cc(C)cc(NC(=O)C2CCN(c3nccs3)CC2)c1,CID647742,0.0,0.0,0.0,,0.0,,,0.0,,0.0,,,,,,0.0,0.0
O=C(COc1ccc(F)cc1)NC1CC1,CID653897,,,,0.0,,,,0.0,,,,,,,,,
O=C(COc1ccccc1F)NC1CC1,CID1294449,,,,,,,,0.0,,,,,,,,,
CC(C)C(C(=O)NCC1CCC(C(=O)O)CC1)n1nnc2ccccc2c1=O,CID666345,,,,0.0,,,,0.0,,,,,,,,,
CCC(C)C(C(=O)NCC1CCC(C(=O)O)CC1)n1nnc2ccccc2c1=O,CID9551690,,,,,,0.0,,,,,0.0,,,,,,
Cc1ccc(Oc2nsnc2N2CCOCC2)cc1,CID641399,,0.0,,,0.0,,0.0,,,,,,,,,0.0,
Brc1ccc(Oc2nsnc2N2CCOCC2)cc1,CID641401,0.0,,,,,,0.0,,0.0,,,,,,,0.0,0.0
Cc1ccc(C)c(N2CCN(C(=O)c3cc4sccc4n3C)CC2)c1,CID650386,0.0,,,,,,0.0,,,,,,,,,0.0,
Cn1c(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc2sccc21,CID3244734,,,,,0.0,,0.0,,,,,,,,,,
COc1ccc2[nH]c(=O)c(C(c3nnnn3C3CCCC3)N(C)C3CCCCC3)cc2c1,CID650383,,0.0,,,,,,,,0.0,,,0.0,,,,
COc1cc2cc(C(c3nnnn3C3CCCC3)N(C)C3CCCCC3)c(=O)[nH]c2cc1OC,CID646306,,,0.0,,,,0.0,,,,,,,,,,0.0
Cc1[nH]c2c(C)cccc2c1CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl,CID4014739,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C)c(S(=O)(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)c1,CID2954147,,,,,,,,,,,,,,0.0,,,
Cc1cccc(Nc2nc(-c3ccccn3)cs2)n1,CID972317,,0.0,,,,,0.0,0.0,,0.0,,,0.0,,0.0,,
Cc1cccnc1Nc1nc(-c2ccccn2)cs1,CID972880,,,,,,,,,,0.0,0.0,,,,,,
COc1cccc(C(=O)C2CN(c3ccccc3)CC2c2ccc(Cl)cc2)c1,CID5102063,,,,,,,,,,,,,,0.0,,,
O=C(c1ccccc1)C1CN(c2ccccc2)CC1c1ccc(Cl)cc1,CID5193459,,,,,,,,,,,,,,0.0,,,
O=C(NCCN1CCCC1)c1ccc(CS(=O)(=O)c2c(Cl)cccc2Cl)o1,CID5309150,,,,0.0,,,,,,,,,,,,,
COc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCCN2CCCC2)o1,CID3237175,,,,,0.0,,,0.0,,,,,,,,,
CCCc1cc(C(=O)N(C2CCCCC2)C2CCCCC2)no1,CID5309153,0.0,,,,,,,0.0,,,,,,,,,0.0
Cc1cc(C(=O)N(C2CCCCC2)C2CCCCC2)no1,CID3245758,0.0,,,,,0.0,,,,,,,0.0,,,,
Cc1ccc(C(=O)N/C(=C\c2sccc2C)C(=O)NCC(C)C)cc1,CID2891977,,,,,,0.0,,,,,,,,,,,
CC(C)(C)NC(=O)/C(=C\c1cccs1)NC(=O)c1ccccc1,CID5342400,,,,,,0.0,,,,,,,,,,,
O=S(=O)(c1ccc(Cl)cc1)N1CCN(Cc2c[nH]c3ccccc23)CC1,CID1148229,,,,,,,,,,,,0.0,,,,,
COc1ccc(S(=O)(=O)N2CCN(Cc3c[nH]c4ccccc34)CC2)cc1,CID1074835,0.0,,,,0.0,,0.0,,,,,,,,,,
Cc1ccc(C(C(=O)NC(C)(C)C)N(Cc2cccs2)C(=O)c2csnn2)cc1,CID3153781,,,,,,,,,,0.0,0.0,,,,,,
CC(C)(C)NC(=O)C(c1ccccc1)N(Cc1cccs1)C(=O)c1csnn1,CID3153779,,,,,,,,,,0.0,0.0,,,,,,
COC(=O)C1(C)NC(=O)c2ccccc2N1,CID4009240,,,,,,,,0.0,,,0.0,,,,,,
CCC1(C)Nc2ccccc2C(=O)N1O,CID3236736,,,0.0,,,,0.0,,,0.0,,,0.0,,,,
CC(C)(C)NC(=O)Cn1nnc(-c2ccccc2NC(=O)c2cnccn2)n1,CID1081043,,,,,,,,,,0.0,0.0,,,,,,
NC(=O)Cn1nnc(-c2ccccc2NC(=O)c2cnccn2)n1,CID858281,,,,,,,,,,,,0.0,,,,,
O=C(c1cnc2c(c1)COc1ccc(Cl)cc1-2)c1ccccc1O,CID902210,,,,,,,,,,,,,,0.0,,,
Cc1ccc2c(c1)-c1ncc(C(=O)c3cc(Br)ccc3O)cc1CO2,CID1216259,,,,,,,,,,,,,,,0.0,,
COc1cccc(-c2cc(C(=O)NC3CCCC3)no2)c1,CID3242382,,,0.0,,,,0.0,,,,0.0,,,,,,
COc1ccc(-c2cc(C(=O)NC3CCCC3)no2)cc1OC,CID3243296,,,0.0,,,,,,,,,,,,,,
COc1ccc(-c2nnc(SCC(=O)Nc3sc4c(c3C#N)CCC4)n2CC2CCCO2)cc1,CID2999120,,,0.0,0.0,,,0.0,,,0.0,0.0,,,,,,0.0
NC(=O)c1c(NC(=O)CSc2nnc(-c3ccccc3)n2CC2CCCO2)sc2c1CCC2,CID647635,,0.0,0.0,0.0,,,,,0.0,,,0.0,0.0,,,,
O=c1oc2cc(Cl)ccc2n1CSc1nc2ccccc2s1,CID914644,,,,,,0.0,,,,,,0.0,,0.0,,,
O=c1oc2ccccc2n1CSc1nc2ccccc2s1,CID658030,,,,0.0,0.0,0.0,,,,0.0,,,0.0,,,,
CCC(C(=O)N1CCN(c2ccccn2)CC1)n1nc(C)n2c(cc3occc32)c1=O,CID3242563,0.0,0.0,,,,,,,,,,,,,,,
Cc1nn(C(C)C(=O)N2CCN(c3ccccn3)CC2)c(=O)c2cc3occc3n12,CID3243784,0.0,,,0.0,,,,,,,,,0.0,,,,
CCN1C(=O)C(CC(=O)Nc2ccc(OC)cc2)N(Cc2cccs2)C1=S,CID2936268,,,,,,0.0,,,,,,,,0.0,,,
CCN1C(=O)C(CC(=O)Nc2ccc(F)cc2)N(Cc2cccs2)C1=S,CID2950381,,,,,,,,,,,,,,0.0,,,
Cc1[nH]c2ccccc2c1NC(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1,CID659214,0.0,,,,,,,0.0,0.0,,0.0,0.0,,,,0.0,
COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1,CID664991,0.0,,,,,,,,,,,,,,,,
O=C(NC(=S)Nc1cccc(-c2nc3ccccc3s2)c1)c1ccco1,CID2888274,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1ccco1,CID2887590,,,,,,0.0,,,,,,,,,,,
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cc4ccccc4o3)cc2)no1,CID993470,,,,,,0.0,,,,,,,,,,,
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3oc4ccccc4c3C)cc2)no1,CID1244220,,,,,,,,,,0.0,,,,,,,
CCOc1ccc(C(=O)Nc2cc(C)c3c(=O)oc4ccccc4c3n2)cc1,CID5147646,0.0,,,0.0,,0.0,,0.0,,,,,,,,,
COc1cccc(C(=O)Nc2cc(C)c3c(=O)oc4ccccc4c3n2)c1,CID4384136,0.0,,0.0,0.0,,,,,,,,,,,,,
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)o1,CID1244217,0.0,0.0,0.0,,0.0,,,0.0,,0.0,0.0,,0.0,0.0,,,
O=C(Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)c1ccco1,CID655792,0.0,0.0,,,0.0,,,0.0,,,,,,0.0,,,
CSc1nnc(-c2sc(-c3ccccc3)nc2C)n1C,CID1478785,,,,,,0.0,,,,,,,,0.0,0.0,,
C#CCSc1nnc(-c2sc(-c3ccccc3)nc2C)n1C,CID4268460,,,,,,0.0,,,,,,,,,,,
O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1cccnc1,CID813906,,,,,,0.0,,,,,,,,0.0,,,
Cc1ccc(C2=N/C(=C\c3cccnc3)C(=O)O2)cc1,CID2094146,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)nc(N2CCN(CC(=O)NCc3ccccc3)CC2)n1,CID2411364,,,,,,,,,0.0,,,,,,,,
O=C(CN1CCN(c2ncccn2)CC1)NCc1ccccc1,CID2546490,,,,,,,,,,,,,,,0.0,,
Cc1nc(SCC(=O)NC(=O)NCc2ccccc2)nc(C)c1C,CID2083202,,,,,,0.0,,,0.0,0.0,0.0,,,,,,
O=C(CSc1ncccn1)NC(=O)NCc1ccccc1,CID2125858,,,,,,,,,0.0,,,0.0,0.0,,,,
O=C(CN1CCN(Cc2ccc(Cl)cc2)C1=O)NCCCN1CCOCC1,CID9550768,,,,,,,,,,,0.0,0.0,,,,,
O=C(CN1CCN(Cc2ccc(F)cc2Cl)C1=O)NCCCN1CCOCC1,CID5307864,0.0,0.0,,,,,0.0,,,,,,,,,,
CC1=C/C(=C/N(C)c2ccccc2)C(=O)S1,CID3244908,,,0.0,,0.0,,0.0,,,,0.0,,,,,,
CCC1=C/C(=C/N(C)c2ccccc2)C(=O)S1,CID3242134,,,,0.0,0.0,,,,0.0,,,,,,,,
CC1=CS/C(=C(/C#N)N=O)N1,CID5424039,,,,,,,,,,,,,,,,0.0,
CCOC(=O)CC1=CS/C(=C(\N=O)C(N)=O)N1,CID5400841,,,,,,,,,,0.0,,,,,,,
Cc1c(C(=O)NC2=NCCS2)oc2ccccc12,CID1247112,0.0,,,0.0,0.0,,,,,,,,,,,,
O=C(NC1=NCCS1)c1cc2ccccc2o1,CID796559,,,,,0.0,,,,,,,,,,,,
CC1CN(C(=O)COC(=O)C2(c3ccc(F)cc3)CCCC2)CC(C)O1,CID2999495,,,,,,0.0,,0.0,,0.0,,,,,,,
O=C(COC(=O)C1(c2ccc(F)cc2)CCCC1)N1CCOCC1,CID2348005,,,0.0,,,,,,,,,,,,,,
COc1cc2nc(C3CC3)n(NC(=O)c3ccc(F)cc3)c(=O)c2cc1OC,CID652489,,,0.0,,,,,,,,,,0.0,,,,
COc1cc2nc(C3CC3)n(NC(=O)c3ccc(Cl)cc3)c(=O)c2cc1OC,CID645305,0.0,,,,,,0.0,,,,,,,,,,0.0
CC1CCN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N(C)C)c3)S2)CC1,CID1996981,,,,,,,,,,,,0.0,,,,,
CC1CCCN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N(C)C)c3)S2)C1,CID6517907,,,,,,,,,,,,0.0,,,,,
COc1cc(OC)cc(-n2nnnc2SCC(=O)N2CCCc3ccccc32)c1,CID651598,0.0,,,,,,,0.0,,,0.0,,,,,0.0,
COc1cccc(-n2nnnc2SCC(=O)N2CCCc3ccccc32)c1,CID654070,0.0,0.0,,,0.0,,,,,0.0,,,,,,0.0,
O=C(c1ccc(Cl)cc1)c1cnc2ccccn12,CID1484079,,,,,,,,,,0.0,,,,,,,
Cc1nc2ccccn2c1C(=O)c1ccccc1,CID2998403,0.0,,,,,,,,0.0,0.0,,,,,0.0,,
Cc1n[nH]c(-c2ccccc2)nc1=O,CID1484078,,,,,,,,,,,,,,0.0,0.0,,
Cc1n[nH]c(-c2ccc(Cl)cc2)nc1=O,CID1484433,,,,,,,,,,,,,,0.0,,,
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCCCC(=O)c3ccccc3)o2)c1,CID2087340,,,,,,0.0,,,,,0.0,,,,,,
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCCCC(=O)c3ccc(F)cc3)o2)c1,CID2087304,,,,,0.0,,,,,,,,,,,0.0,
Cc1ccc(S(=O)(=O)NCCC(=O)Nc2nnc(C3CC3)s2)cc1C,CID2998152,0.0,0.0,,0.0,0.0,,0.0,,0.0,0.0,0.0,,,,,0.0,0.0
O=C(CCNS(=O)(=O)c1ccccc1F)Nc1nnc(C2CC2)s1,CID2553973,,,,,,,,,0.0,,0.0,,,0.0,0.0,,
CCn1c(C)c(C(C)=O)c(N2CCCCC2)nc1=S,CID3243595,,0.0,,,,,,0.0,,,,,,,0.0,,0.0
CCn1c(C)c(C(C)=O)c(N2CCC(C(N)=O)CC2)nc1=S,CID715227,,0.0,,0.0,,,,,0.0,0.0,,0.0,,,,0.0,
CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)N3CCc4ccccc4C3)ccc21,CID9550147,,,,,,,,,,0.0,,,,,,,
CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)N3CCc4ccccc4C3)ccc21,CID3244270,,,,0.0,,,,,,,,0.0,,,,0.0,
COc1ccc(Cc2n[nH]c(SC)nc2=O)cc1,CID707467,,,,,,,,,,0.0,0.0,0.0,,,,,
COc1ccc(Cc2n[nH]c(SC)nc2=O)cc1OC,CID658685,,,0.0,,,,0.0,,,0.0,,,,,,,0.0
CC(C(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCCC2)N1C(=O)c2ccccc2C1=O,CID2937818,,,,,,,,,0.0,0.0,0.0,,,0.0,0.0,,
O=C(CN1C(=O)c2ccccc2C1=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCCC2,CID1308440,,,,,,,,,,0.0,0.0,,,,,,
Cc1ccc(S(=O)(=O)NC(C)C(=O)N2CCC(C(=O)N3CCCC3C(=O)O)CC2)cc1,CID5389859,,,,,,,0.0,0.0,,,,,,,,,
Cc1ccc(S(=O)(=O)NC(C(=O)N2CCC(C(=O)N3CCCC3C(=O)O)CC2)C(C)C)cc1,CID664160,0.0,,,0.0,0.0,,,0.0,0.0,,,,0.0,,,,0.0
Cn1c(=O)c2c(nc(NCCCO)n2C/C=C/c2ccccc2)n(C)c1=O,CID5741854,,,,,,,,,,,,,0.0,,,,
CC(O)CNc1nc2c(c(=O)n(C)c(=O)n2C)n1C/C=C/c1ccccc1,CID5389781,,,,0.0,,0.0,,,,,,,,,,,
O=C(COC(=O)C1(c2ccc(Cl)cc2)CCCC1)NC1CCS(=O)(=O)C1,CID3645626,,,,,,,,,,,,0.0,,,,,
O=C(COC(=O)C1(c2ccccc2F)CCCC1)NC1CCS(=O)(=O)C1,CID2997904,,,,,,,,0.0,,,,0.0,,,,0.0,
COCCNC(=S)N(Cc1c(C)noc1C)c1ccccc1,CID2106942,,,,,,,,,,,,,,0.0,,,
CCCCNC(=S)N(Cc1c(C)noc1C)c1ccccc1,CID2108358,,,,,,,,,,,,,,,0.0,,
CCOc1nc(NCCc2ccc(OC)c(OC)c2)nc(N2CCN(c3ccc(OC)cc3)CC2)n1,CID2941443,,,,,,,,,,0.0,,0.0,,,0.0,,
COc1ccc(N2CCN(c3nc(NCCc4ccc(OC)c(OC)c4)nc(OC)n3)CC2)cc1,CID2940993,0.0,,,,,,,,,,,,,,,,0.0
CS(=O)(=O)N(CC(=O)N1CCOCC1)Cc1ccccc1,CID892336,,,,0.0,,,,,,,,,,,,0.0,
CS(=O)(=O)N(CC(=O)N1CCOCC1)Cc1ccc(Cl)cc1,CID2223389,,,,0.0,,,,,,,,,0.0,,,,0.0
CCCN1Cc2cccc(C(=O)NCc3cccs3)c2C1=O,CID3245972,0.0,,0.0,,0.0,,,,,,,,,,,,
COCCN1Cc2cccc(C(=O)NC(C)c3cccs3)c2C1=O,CID9551004,,,,,,0.0,,,,0.0,0.0,,,,,,
O=c1nc(SCc2ccccc2Cl)[nH]c2c1CCCC2,CID1480154,,,0.0,,0.0,,,,,,,,,,,,0.0
O=c1nc(SCc2cccc(Cl)c2)[nH]c2c1CCCC2,CID3240490,,,,,0.0,,,,,,,,,,,,0.0
CC(=O)c1cccc(NC(=O)c2cnn3ccccc23)c1,CID5309500,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C)c(NC(=O)c2cnn3ccccc23)c1,CID11957205,,,,,,0.0,,,,,,,,0.0,,,
CC(=O)c1ccc2c(c1)C1C=CCC1C(c1ccncc1)N2,CID3154276,,,,,,,,,,0.0,,0.0,,,,,
C1=CC2c3ccccc3NC(c3ccncc3)C2C1,CID647392,,,,0.0,,,,,,0.0,,,,,,,
Cc1ccccc1CC1SC(N/N=C/c2ccc(N(C)C)cc2)=NC1=O,CID9585630,,,,,,0.0,,,,,,,,,,,
COc1ccc(/C(C)=N\NC2=NC(=O)C(Cc3ccc(C)cc3)S2)cc1,CID5344010,,,,,,0.0,,,,,,,,,,,
Cc1cnc(NC(=O)c2sc3ccccc3c2Cl)s1,CID2523343,,,,,,,,,,,,,,0.0,0.0,,
O=C(Nc1nccs1)c1sc2ccccc2c1Cl,CID606795,,,,,,,,,,,,0.0,,,,,
O=S(=O)(Nc1ccc2cn[nH]c2c1)c1ccc(Cl)s1,CID2444866,,,,,,,,,,,,,,,0.0,,
COC(=O)c1sc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)c(C(=O)OC)c1C,CID2092161,,,,,0.0,,0.0,,,,,,0.0,,,,
COc1ccc2c(c1)n([O-])c1c([n+]2=O)CCC1,CID659648,,,0.0,,,,0.0,,,,,,,,,0.0,
O=[n+]1c2c(n([O-])c3cc(Br)ccc31)CCC2,CID659761,0.0,,,,,,,,,,,0.0,,,,0.0,0.0
CCOC(=O)c1cnn(-c2ncnc3c2oc2ccccc23)c1N,CID659646,,,0.0,,,,0.0,0.0,,,,,,,,,
Cc1cc(C)n(-c2ncnc3c2oc2ccccc23)n1,CID663679,,0.0,,0.0,,,,,,,,0.0,,,,,0.0
Cc1ccc(SCc2nnc(N)s2)cc1,CID659643,,0.0,0.0,,0.0,,0.0,,,0.0,,,,,,,
Nc1nnc(CSc2ccc(Cl)cc2)s1,CID659767,,,,,,,,,,,,,,0.0,0.0,,0.0
COCc1[nH]nc2c1C1(CCC3(CC1)OCCO3)C(C#N)=C(N)O2,CID651414,,,,0.0,,,,0.0,,,,,,,,,
Cc1[nH]nc2c1C1(CCC3(CC1)OCCO3)C(C#N)=C(N)O2,CID973693,,0.0,,,,,,0.0,,,,,,0.0,,,
O=C(OCc1ccccn1)c1ccc(COc2ccccc2Cl)o1,CID1084316,,,,,,0.0,,,,,,,,0.0,,,
CCOc1ccc(OCc2ccc(C(=O)OCc3ccccn3)o2)cc1,CID653780,0.0,0.0,,,,,0.0,,,0.0,,,,,,,
O=C1CC(c2ccccc2)N2NC(NC(=O)CCc3ccccc3)=NC2=N1,CID5389896,,,,0.0,,,,,,,0.0,,,,,,
O=C1CC(c2ccc(Cl)cc2)N2NC(NC(=O)CCc3ccccc3)=NC2=N1,CID5389905,,,,,,,0.0,,,,,,,,,,
O=C1OCCC1Sc1nnnn1-c1ccccc1,CID2948751,,,,,,,,,,0.0,0.0,,,,,,
Cc1ccccc1-n1nnnc1SC1CCOC1=O,CID2998282,,,0.0,,,,0.0,,,0.0,,,,,,0.0,0.0
Cn1cccc1C(=O)C(=O)Nc1ccccc1,CID3787371,,,,,,0.0,,,,,,,,,,,
Cn1cccc1C(=O)C(=O)Nc1ccc(Cl)cc1,CID3842359,,,,,,0.0,,,,,,,,,,,
CC1CN(C(=O)CSc2ncnc3sccc23)CC(C)O1,CID3000184,0.0,,,,,,0.0,,,0.0,,,0.0,,0.0,,0.0
Cc1nc(SCC(=O)N2CCOCC2)c2ccsc2n1,CID2062917,0.0,0.0,,0.0,,,0.0,,0.0,0.0,0.0,,,0.0,,,0.0
Cc1nc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c2cc(-c3ccccc3)sc2n1,CID2087465,,,,,,,,,,0.0,0.0,,,0.0,,,
O=S(=O)(c1ccccc1)N1CCN(c2ncnc3sc(-c4ccccc4)cc23)CC1,CID2100110,0.0,,0.0,0.0,,0.0,,,,,0.0,,,,,,0.0
Cn1c(=O)c2c(=O)cc(NNC(=O)CC#N)[nH]c2n(C)c1=O,CID823144,,,,,,,,,,,,,,0.0,,,
CCn1c(O)cc(=O)c2c(=O)n(C)c(=O)n(C)c21,CID1263017,,0.0,,,,,,,0.0,,,,0.0,,,,
O=C(COC(=O)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2,CID2999980,,,0.0,0.0,,,,,,,,,,,,,
Cc1ccc(S(=O)(=O)N2CCCC2C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)cc1,CID2999511,,,,,0.0,,,0.0,,,,,,,,,
O=C(CCn1c(=O)c2ccccc2n(Cc2cc(=O)n3ccccc3n2)c1=O)NCc1ccco1,CID3237267,,0.0,,,,,,,,,,,,,0.0,,0.0
Cc1cccc2nc(Cn3c(=O)n(CCC(=O)NCc4ccco4)c(=O)c4ccccc43)cc(=O)n12,CID3240494,0.0,0.0,,,,,,,,,0.0,,,,,,
O=C1c2cccc(OCC(=O)N3CCCc4ccccc43)c2CCN1Cc1ccccc1,CID2152001,,,,,,,,,,,,,,,0.0,,
Cc1cccc(CN2CCc3c(OCC(=O)N4CCCc5ccccc54)cccc3C2=O)c1,CID2152201,,,,,,,,,,,,,,0.0,,,
COc1ccc(OC)c(C2C(C(C)=O)=C(O)C(=O)N2CCN2CCOCC2)c1,CID2908822,,,,,0.0,,,,,,,,,,,,
CC(=O)C1=C(O)C(=O)N(CCN2CCOCC2)C1c1ccccc1,CID568025,,,,,,,,0.0,,,,,0.0,,,,
COc1ccc(/C=N/Nc2nc(=O)c3ccccc3[nH]2)cc1,CID2874392,,,,,,0.0,,,,,,0.0,,0.0,,,
O=c1nc(N/N=C/c2ccccc2)[nH]c2ccccc12,CID2874370,,,,,,,,,,,,0.0,,0.0,,,
O=C(NCCCn1ccnc1)/C(=C/c1ccccc1)NC(=O)c1ccccc1,CID2872941,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C(=O)N/C(=C\c2ccccc2)C(=O)NCCCn2ccnc2)cc1,CID2873371,,,,,,,,,,,,,,,0.0,,
CCOc1ccccc1NC(=S)N(CCCN1CCOCC1)Cc1cn(C)c2ccccc12,CID12004918,,,,,,,,,,,,,,0.0,,,
COc1ccc(Cl)cc1NC(=S)N(CCCN1CCOCC1)Cc1cn(C)c2ccccc12,CID12004930,,,,,,,,,,,,,,,0.0,,
CC(C)(C)N(Cc1ccccc1)C(=O)CSc1nc(=O)c2ccccc2[nH]1,CID2413584,,,,,,,,,,,0.0,,,,,,
CC(NC(=O)CSc1nc(=O)c2ccccc2[nH]1)c1ccccc1,CID2950891,,0.0,,0.0,0.0,,,,,,,,,,,,
COc1ccc2c(c1)CC(C1(O)C(=O)Nc3ccccc31)C2=O,CID652232,,,0.0,0.0,0.0,,0.0,,,,,,,,,,0.0
COc1ccc2c(c1)CC(C1(O)C(=O)N(C)c3ccccc31)C2=O,CID2863500,,,,,,,0.0,,,,,,,,,,
O=C(Nc1nnc(C2CCCCC2)s1)c1ccc(Br)s1,CID1246434,,,,,,,,,0.0,,,,,,,0.0,
O=C(Nc1nnc(C2CCCCC2)s1)c1cccs1,CID665475,,0.0,0.0,0.0,0.0,,,,0.0,0.0,0.0,,,0.0,,,
COc1ccc(-c2csc(N3C(=N)SCC3=O)n2)cc1,CID1213087,,,,,,0.0,,,,,,,,0.0,,,
N=C1SCC(=O)N1c1nc(-c2ccccc2)cs1,CID1391250,,,,,,0.0,,,,,,,,0.0,,,
CCCC(=O)Nc1cc(-c2nn(C)c(=O)c3ccccc23)ccc1N1CCCCC1,CID1863615,0.0,0.0,,,,,,,,,0.0,0.0,0.0,,,,0.0
CCC(=O)Nc1cc(-c2nn(C)c(=O)c3ccccc23)ccc1N1CCCCC1,CID661601,0.0,0.0,,,,0.0,0.0,,,,,,,,,,
O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)NC1CCCCC1,CID2444737,,,,,,,,,,,0.0,,,,0.0,,
O=C(Nc1nnc(-c2ccccc2)o1)NC1CCCCC1,CID2127567,,,,,,0.0,,0.0,,,,,0.0,,,,
CCc1c(C(=O)N2CCOCC2)csc1C,CID1246298,,0.0,,,,,,,,,,,0.0,,,,
CCc1c(C)sc(NC(=O)OC)c1C(=O)N1CCOCC1,CID1245144,,,,0.0,,,0.0,,,,,,,,,,
Cn1cccc1/C=N/NC(=O)c1cccnc1,CID760108,,,,,,,,,,,,0.0,,0.0,,,
Cc1ccc(C(=O)N/N=C/c2cccn2C)cn1,CID774672,,,,,,,,,,,,0.0,,,,,
Cn1c(SCc2nc(=O)c3ccccc3[nH]2)nnc1-c1ccco1,CID1249965,,0.0,0.0,0.0,0.0,,,0.0,,,,,0.0,,,0.0,
C=CCn1c(SCc2nc(=O)c3ccccc3[nH]2)nnc1-c1ccco1,CID1252428,0.0,,0.0,,0.0,,,0.0,,0.0,0.0,,,,,0.0,
Cc1ccc(-c2noc(CCC(=O)Nc3ccc(C)cn3)n2)cc1,CID3238056,,0.0,,0.0,,,,,,,,0.0,,0.0,,0.0,
Cc1ccc(-c2noc(CCC(=O)Nc3cc(C)ccn3)n2)cc1,CID3238823,,,,,,0.0,,,,,0.0,0.0,0.0,,,,
NC(=O)C1CCN(c2nc(C3CC3)nc3c2nnn3Cc2ccccc2Cl)CC1,CID647206,,,,,,,,,,,,,,0.0,,,
NC(=O)C1CCN(c2nc(C3CC3)nc3c2nnn3Cc2ccccc2)CC1,CID651237,,,,,,,,,,,0.0,,,,,,
FC(F)(F)c1cc(-c2ccco2)nc(NCc2ccccc2)n1,CID3242070,,,,,0.0,,0.0,,,,,0.0,,,,,0.0
Fc1ccc(CNc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1,CID3240864,,,,,0.0,,,,,,,,,,,,0.0
COc1ccc(C2C(C#N)=C(N)Oc3n[nH]c(-c4ccccn4)c32)c(OC)c1OC,CID3237149,,,,0.0,,,,,,,0.0,,0.0,,,,
COc1cc(C2C(C#N)=C(N)Oc3n[nH]c(-c4ccccn4)c32)cc(OC)c1OC,CID3236045,,,0.0,,,,,,,,0.0,,0.0,,,0.0,
O=C(CSc1nc2[nH][nH]cc-2c(=O)n1)c1ccc(Cl)cc1,CID382389,,,,,,,,,,,,,,0.0,,,
O=C(CSc1nc2[nH][nH]cc-2c(=O)n1)c1ccccc1,CID7151666,,,,,,,,,,,,,,,0.0,,
COc1ccc(CCNC(=O)C2=C/C(=C3/C=CC=CC3=O)NN2)cc1OC,CID5390056,,,,,,,,,,,0.0,,,,,,
COc1ccc(CCNC(=O)C2=C/C(=C3/C=CC(C)=CC3=O)NN2)cc1OC,CID5589783,,,,,,0.0,,,,,,,,,,,
CN(C)c1ccc(C2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2Cc2ccccc2)cc1,CID5345280,,,,,,0.0,,,,,,,,,,,
O=C1C(=O)N(Cc2ccccc2)C(c2ccc([N+](=O)[O-])cc2)/C1=C(/O)c1ccccc1,CID5345266,,,,,,0.0,,,,,,,,,,,
O=C(c1ccc([N+](=O)[O-])cc1)N1CCSC1c1ccccc1Cl,CID2880577,,,,,,,,,,,,,,0.0,,,
CN(C)c1ccc(C2SCCN2C(=O)c2ccc([N+](=O)[O-])cc2)cc1,CID12005925,,,,,,,,,,,,,,,0.0,,
O=C(CNC(=O)c1ccccc1F)NC1CC1,CID675426,,,0.0,0.0,,,,0.0,,,,,,,,,
CSCCC(NC(=O)c1ccccc1)C(=O)NC1CC1,CID9549158,,,,,,,,,,,0.0,,,,,,
NC(N)=C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O,CID5286180,0.0,,,,,,,,,,,,,,,,0.0
CN(C)C=C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O,CID646897,0.0,,,,,0.0,0.0,0.0,0.0,,,0.0,,,,,
CC(C)N(CCCNC(=O)C1CCN(S(=O)(=O)N2CCOCC2)CC1)Cc1ccccc1,CID3242852,,,,,0.0,,,,,,,,,,,,
CCCCN(CCCNC(=O)C1CCN(S(=O)(=O)N2CCOCC2)CC1)Cc1ccccc1,CID3236138,,,,,0.0,0.0,0.0,,,,0.0,,,,,,0.0
CCOc1ccc(N(CC(=O)NC2CCCCC2)C(=O)CSc2nnc(COc3ccccc3)o2)cc1,CID3184416,,,,,,,,,,,,,,0.0,,,
O=C(CN(C(=O)CSc1nnc(COc2ccccc2)o1)c1ccc(F)cc1)NC1CCCCC1,CID647334,0.0,,0.0,0.0,,,,,,,,,0.0,,,,
Cc1ccccc1Cn1cccc1/C=C1/C(=N)N2C=CSC2=NC1=O,CID706114,,,,,,,,,,,,,,0.0,,,
Cc1ccc(Cn2cccc2/C=C2/C(=N)N3C=CSC3=NC2=O)cc1,CID6018994,,,,,,,,,,,,,,,0.0,,
Cc1ccnc(SCCn2c(N3CCN(c4ccccc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)n1,CID3608539,,0.0,,,0.0,,,,,,,,0.0,,,,
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(c3ccccc3)CC1)n2CCSc1ncccn1,CID1397951,,0.0,,,0.0,,,,,,,,0.0,,,,
Cc1ccc(SCC(=O)n2nc(C)cc2C)cc1,CID2938349,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)n(C(=O)CSc2ccc(Cl)cc2)n1,CID805057,,,,,,,,,,,,,,0.0,,,
Cc1ccc(N2C(=O)c3ccccc3C2O)nc1,CID5308351,,,,,,,,,,,,,0.0,,,,
COc1ccc2c(c1OC)C(=O)N(c1ccccn1)C2,CID659311,,,0.0,0.0,,,,,,0.0,,,0.0,,,0.0,
Cc1ccc(N2CC(C(=O)Nc3ccccc3C(=O)NC3CCCCC3)CC2=O)cc1C,CID9549162,,,,,,,,,0.0,,,0.0,,,,,
Cc1ccc(N2CC(C(=O)Nc3ccccc3C(=O)NC3CCCCC3)CC2=O)cc1,CID9549124,,,,,,,,,0.0,,,0.0,,,,,
Cc1ccc(-c2nc(NC(=O)c3nn(C)cc3[N+](=O)[O-])sc2C)cc1,CID998685,,,,,,,,,,,,0.0,,,,,
CCn1cc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccc(C)c(C)c3)c(C)s2)n1,CID999515,,,,,,,,,,,,0.0,,,,,
COc1ccc2oc(C(=O)C3CC3)c(NC(=O)CCCN3C(=O)c4ccccc4C3=O)c2c1,CID1262885,,,0.0,,,,,0.0,0.0,,0.0,,,,,,
O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1c(C(=O)C2CC2)oc2ccccc12,CID1262884,,,,,,,,,0.0,0.0,,,,,,,
Cc1cccc(N)c1SC1CCCCC1O,CID661486,,,,,0.0,,,,,,,,,,,,
COC(=O)c1ccc(SC2CCCCC2)c([N+](=O)[O-])c1,CID726125,,,,,,0.0,,,,,,0.0,,0.0,0.0,,
CC(C)(C)S(=O)(=O)c1cnc2c(S(=O)(=O)c3ccccc3)cnn2c1N,CID1480584,,,,,,,,,,,,,,,0.0,,
CS(=O)(=O)c1cnc2c(S(=O)(=O)c3ccccc3)cnn2c1N,CID1480583,,,,,,,,,,,,,,,0.0,,
COc1ccc(-n2c(SCC(=O)Nc3ccc4c(c3)OCO4)nc3ccccc3c2=O)cc1,CID660998,,,,,0.0,,,0.0,,,0.0,,,,,,
CCOc1ccc(-n2c(SCC(=O)Nc3ccc4c(c3)OCO4)nc3ccccc3c2=O)cc1,CID1272980,,,,,,,,,,0.0,0.0,,,,,,
Cc1ccc(S(=O)(=O)NCCSc2nnnn2C)cc1,CID660995,,,,,,,,,,,,,0.0,,,0.0,
Cn1nnnc1SCCNS(=O)(=O)c1ccccc1,CID555562,0.0,,,0.0,,,,,,,,,,,,,
COc1ccc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)cc1,CID2201052,,,,,,0.0,,,,,,,,,,,
CCN(C(=S)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1,CID4968453,,,,,,,,,,,,,,,0.0,,
COc1ccc2[nH]c3nc(SCc4nnc(-c5ccc(C)cc5)o4)nnc3c2c1,CID5770444,,0.0,,,,,,,,,,,,,0.0,,0.0
COc1ccc2[nH]c3nc(SCc4nnc(-c5ccccc5)o4)nnc3c2c1,CID5770442,,,,,,,,,,,,,0.0,,,,
COc1cc(OC)nc(NC(=O)CSc2nc3ccccc3o2)n1,CID713070,,0.0,,,,,,,0.0,,,0.0,,,,0.0,0.0
Cc1cc(C)nc(NC(=O)CSc2nc3ccccc3o2)n1,CID2361559,,,,,,0.0,,,0.0,0.0,,0.0,,,,,
CC1(C)Cc2ccccc2-c2c1c(=O)n(Cc1ccccc1)c1nnnn21,CID1048554,,,,,,,,,,,,0.0,,,,,
CCC1(C)Cc2ccccc2-c2c1c(=O)n(Cc1ccccc1)c1nnnn21,CID2945349,,0.0,,,,,,0.0,,,,,,,,,0.0
COC(=O)CSc1nn(-c2ccc(F)cc2)c(=S)s1,CID2539716,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1-n1nc(SCC(=O)O)sc1=S,CID2512392,,,,,,,,,,,,,,0.0,,,
CC(C)Sc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)C2c1cccs1,CID5263110,,,,,,,,,,0.0,,,,,,,
CSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)C2c1cccs1,CID3245680,,,,,0.0,0.0,,,,,,,,,,,
CCCNc1nc(C)nc2c1cnn2CCc1ccccc1,CID1631668,,,,,,,,,,,,0.0,,,,,
Cc1nc(NC(C)C)c2cnn(CCc3ccccc3)c2n1,CID701312,,,,,,0.0,,,,,,0.0,,,,,
CC1Cc2ccccc2N1C(=O)CSc1nnnn1-c1ccc2c(c1)OCCO2,CID649536,0.0,0.0,0.0,0.0,,0.0,,,,,0.0,,0.0,,,,
O=C(CSc1nnnn1-c1ccc2c(c1)OCCO2)N1CCc2ccccc21,CID651037,0.0,,,,,,,,,,0.0,,0.0,,,0.0,0.0
Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1,CID1294874,,,,,,,,,,,,0.0,,,,,
Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)C2CCCCC2)cc1,CID1337443,,,,,,0.0,,,,,,,,,,,
CC(=O)N1CCC2(CC1)C(C#N)=C(N)Oc1n[nH]c(C)c12,CID645612,,,,,,,,,,,,,0.0,,,,
CC(=O)N1CCC2(CC1)C(C#N)=C(N)Oc1n[nH]c(C(F)(F)F)c12,CID664912,0.0,,,,,,0.0,,0.0,,,,,,,,
Cc1nc2sc3c(c2c(=N)n1N)CCCC3,CID434778,,,,,,,,,,,,,,0.0,0.0,,
CCCCn1cnc2sc3c(c2c1=N)CCCC3,CID2902958,,0.0,,0.0,,,,,,,0.0,,,,,,
CCOCCCNS(=O)(=O)c1ccc(NC(=O)N2c3ccccc3Sc3ccccc32)cc1,CID2230170,,,,,,0.0,,,,,,,,,,,
COC(=O)c1cc(NC(=O)N2c3ccccc3Sc3ccccc32)cc(C(=O)OC)c1,CID1078940,,,,,,,,,,,,0.0,,,,,
CC(C)(C)NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1,CID646886,0.0,,,,0.0,0.0,0.0,0.0,,0.0,,,,,,,0.0
NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1,CID652547,,,,,,,0.0,,,,,,0.0,,,,
O=C(Nc1ccc(-c2nc3cccnc3s2)cc1)c1ccco1,CID4336986,,0.0,0.0,,0.0,,,,,,,,,,,,
O=C(Nc1ccc(-c2nc3cccnc3s2)cc1)c1ccc(Br)o1,CID5310112,,,,,,,,,,,0.0,,,,,,
O=C(NCc1ccc(F)cc1)C(c1ccncc1)N(C(=O)c1csnn1)C1CC1,CID3222353,,,,,,,,,,,,,,,0.0,,
O=C(NCc1ccccc1)C(c1ccncc1)N(C(=O)c1csnn1)C1CC1,CID3222352,,,,,,,,,,,0.0,,,,,,
COCCCNC(=O)c1c(NC(=O)c2ccco2)n(Cc2ccccc2)c2nc3ccccc3nc12,CID659456,,,,,,,,,,,,0.0,,,,,
COCCNC(=O)c1c(NC(=O)c2ccco2)n(Cc2ccccc2)c2nc3ccccc3nc12,CID659547,,,0.0,,,,,,,,0.0,,,,,,
CC1(C)N([O-])C(c2ccccc2)=C[N+](=O)C1(C)C,CID658722,,,,,,0.0,0.0,,0.0,0.0,,,0.0,,0.0,0.0,
COc1ccc(OC)c(C2=C[N+](=O)C(C)(C)C(C)(C)N2[O-])c1,CID2221795,,,,,,,,0.0,,,0.0,,0.0,,,,
CCn1c(SCC(=O)OCc2ccccc2)nnc1-c1ccco1,CID650133,0.0,,,,0.0,0.0,0.0,0.0,,,,,0.0,,,0.0,
Cn1c(SCC(=O)OCc2ccccc2)nnc1-c1ccco1,CID857589,,,,,,,,,,,,,,0.0,,,
CCn1cc(C(=O)N2CCCc3ccccc32)c2cc(OC)c(OC)cc2c1=O,CID3236835,,,,,,,,,,0.0,,,,,,,
COc1cc2c(C(=O)N3CCCc4ccccc43)cn(C)c(=O)c2cc1OC,CID3236126,,,,,,,0.0,,,,,,,0.0,,,
CCc1nc2c(sc3nc4c(cc32)COC(C)(C)C4)c(=O)n1Cc1ccco1,CID1416241,,,,,,,0.0,,,,,,0.0,,,0.0,0.0
CCCc1nc2c(sc3nc4c(cc32)COC(C)(C)C4)c(=O)n1Cc1ccco1,CID1249221,,,,,,,0.0,,,,,,0.0,,,,0.0
CSc1nc(C)cc(OCCNS(=O)(=O)c2cc(C)ccc2C)n1,CID659847,0.0,,0.0,0.0,0.0,,,,0.0,0.0,,,,0.0,,,
CSc1nc(C)cc(OCCNS(=O)(=O)c2ccc(C)cc2)n1,CID1597711,,,,,,,,,0.0,0.0,,,,,,,
CC(Sc1nc(N2CCOCC2)nc(N2CCOCC2)n1)C(=O)Nc1ccccc1,CID650940,,,,,,,,,,,0.0,,,,,,0.0
CC(=O)C(Sc1nc(N2CCOCC2)nc(N2CCOCC2)n1)C(=O)Nc1ccccc1,CID2952037,,,,,,,,,,,0.0,0.0,,,,,
COC(=O)c1sc(NC(=O)CSc2nc3cccnc3n2C2CCCCC2)nc1C,CID650946,,,,0.0,0.0,,0.0,,,,0.0,,,,,,0.0
Cc1nc(NC(=O)CSc2nc3cccnc3n2C2CCCCC2)sc1C,CID650398,0.0,0.0,0.0,0.0,0.0,,,,,0.0,0.0,0.0,0.0,,,,0.0
Cc1ccc2nc3ccc(N4CCCC4)nn3c(=O)c2c1,CID3238269,,,,0.0,,0.0,,,,,,,,,,,0.0
O=c1c2cc(Cl)ccc2nc2ccc(N3CCCC3)nn12,CID3241556,0.0,0.0,,0.0,,,,,,,,,,,,0.0,0.0
Cn1nc(-c2ccccc2F)c2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)sc21,CID3243355,0.0,,,,,,0.0,,,,,,,,,,
Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)sc21,CID5308062,0.0,,,,,,0.0,,,,,,,,,,
CC(C)NC(=O)C1(O)c2ccccc2NC(=O)N1c1ccc(Cl)c(Cl)c1,CID3245610,,0.0,,,,,,,,,,,0.0,,,,0.0
Cc1ccc(N2C(=O)Nc3ccc(Br)cc3C2(O)C(=O)NCCCN(C)C)cc1C,CID3238244,,,,,,,,,,,,,,,,0.0,0.0
COc1ccc(NC(=O)C(CCS(C)(=O)=O)N2Cc3ccccc3C2=O)c(OC)c1,CID5309118,,,0.0,,,,,,,,0.0,,,,,0.0,
CCC(C)C(C(=O)Nc1ccc(OC)c(OC)c1)N1Cc2ccccc2C1=O,CID5307693,,,0.0,,,,,,,,,,,,,,
Cc1ccc(C)c(N2CCN(CCCNC(=O)Cn3cc4c(n3)CCC(C)C4)CC2)c1,CID5307927,,,,,,,,,,,0.0,,,,,,
O=C(Cn1cc2c(n1)CCCC2)NCCCN1CCN(c2ccccc2F)CC1,CID5309752,,,,,,,0.0,,,,,,,,,,
CN(CC(=O)NC1CC1)S(=O)(=O)c1ccc(F)cc1,CID975127,,,,,,,,,,,,,,0.0,,,
COc1ccc(S(=O)(=O)N(C)CC(=O)NC2CC2)cc1,CID894252,,,,0.0,,,,,0.0,,,,,,,,
C=CCOc1ccccc1/C=c1\sc2nc(=O)c(C)nn2c1=O,CID3246739,,,,0.0,,,,0.0,,,,,,,,0.0,
COc1ccc(/C=c2\sc3nc(=O)c(C)nn3c2=O)c(OC)c1,CID4154873,,,,,,,,,,,,,,0.0,,,
Cc1cccc(NC(=O)CSCc2c(C)noc2C)c1C,CID2119828,0.0,,,0.0,0.0,0.0,,,,,,,,,,,0.0
Cc1ccc(NC(=O)CSCc2c(C)noc2C)cc1C,CID2119845,0.0,,,0.0,0.0,,,,,,,,,,,,0.0
Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1cccnc1,CID626045,0.0,0.0,,,,,0.0,,,,,,0.0,0.0,0.0,0.0,0.0
Cc1onc(-c2ccccc2)c1C(=O)NCc1cccnc1,CID700880,0.0,,,0.0,,,,,,,,,,,,,0.0
O=C(CCc1ccccc1)NC1CCSC1=O,CID2905735,,,,,0.0,,0.0,0.0,0.0,,,,,0.0,,,0.0
CC(CC(=O)NC1CCSC1=O)c1ccccc1,CID2914750,,0.0,,0.0,0.0,,,,,0.0,,,0.0,,,,
Cc1cc(NCc2ccc(F)cc2Cl)n2nnnc2n1,CID3242088,0.0,,,,,,,,0.0,,,,,,,,
Cc1cc(NCc2ccccc2Cl)n2nnnc2n1,CID3243799,0.0,,0.0,,,,,,,,,,,,,,
COC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC(=O)N1CCN(C(=O)c2ccco2)CC1,CID644960,,,,,,,,,0.0,,,,,,,,
CCOC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC(=O)N1CCN(C(=O)c2ccco2)CC1,CID647216,,0.0,,,,,,,0.0,,,,,,,,
O=C(Cc1cn2ccsc2n1)Nc1ccccn1,CID2998251,,0.0,,,,,,,,0.0,0.0,,,,,0.0,
Cc1ccc(NC(=O)Cc2cn3ccsc3n2)nc1,CID2999136,,0.0,,0.0,,,,0.0,,,,,0.0,,,,
Cc1cccc(C(=O)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)c1,CID3197582,,,,,,,,,,0.0,,,,,,,
O=C(c1ccccc1)N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1,CID986850,,,,,,,,,,,,0.0,,,,,
Cc1nnc(SCCn2c(N(C)Cc3ccccc3)nc3c2c(=O)[nH]c(=O)n3C)s1,CID3157429,,0.0,,0.0,0.0,0.0,,,,0.0,,0.0,,,,0.0,0.0
Cc1nnc(SCCn2c(N(C)Cc3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)s1,CID666437,,0.0,,0.0,0.0,,,,,0.0,,0.0,,,,,0.0
C=CCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCCCCC1,CID659397,,0.0,,,,,0.0,0.0,,0.0,0.0,0.0,,,,,
COCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCCCCC1,CID659475,,,0.0,,,0.0,,0.0,,,,0.0,,0.0,,,
CC1CCCC(NC2CCCCNC2=O)C1,CID2846276,,,,0.0,,,,0.0,,0.0,,,,,,,
CCC1CCC(NC2CCCCNC2=O)CC1,CID3866131,0.0,,,,,,0.0,,,,,,,,,,
CCn1cc(Br)c(C(=O)NC(C)c2ccccc2)n1,CID2961840,,,,,,,,,0.0,,0.0,,,,,0.0,0.0
CCn1cc(Br)c(C(=O)N(C)Cc2ccccc2)n1,CID973641,0.0,,,,,,,,0.0,,0.0,0.0,,,0.0,0.0,0.0
CN1C(=O)c2ccc(C(=O)NC3CCCCC3)cc2C1=O,CID976814,,0.0,0.0,,0.0,,,0.0,0.0,,0.0,,,0.0,,,
CCCN1C(=O)c2ccc(C(=O)NC3CCCCC3)cc2C1=O,CID1332678,,,0.0,,0.0,,,,0.0,,,,0.0,,,,0.0
CCCc1cc(=O)nc(SCC(=O)N(C)CC(=O)Nc2ccccc2CC)[nH]1,CID2569168,,,,,,,,,0.0,,,,0.0,,,,
CCCc1cc(=O)nc(SCC(=O)N(C)CC(=O)Nc2ccc(C)cc2)[nH]1,CID2569059,,,,0.0,,0.0,,,0.0,,,,,,,0.0,
COc1ccc(CNC(=O)Cn2nc(Cc3cccnc3)c3ccccc3c2=O)cc1,CID9550950,,,,,,0.0,,,,,,0.0,,,,,
O=C(Cn1nc(Cc2cccnc2)c2ccccc2c1=O)NCc1ccc(F)cc1,CID9550100,,,,,,0.0,,,,,,,,,,,
O=C(Oc1ccc2oc(=O)sc2c1)c1ccccc1F,CID705270,,,0.0,,,,,0.0,,,,,,,0.0,,
COc1ccc(C(=O)Oc2ccc3oc(=O)sc3c2)cc1,CID804061,,,,,,,,,0.0,,,,,0.0,,,
CN(CCOc1ccc(-c2ccn(S(=O)(=O)c3ccc(Cl)cc3)n2)cc1)c1ccccn1,CID1481460,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)c(S(=O)(=O)n2ccc(-c3ccc(OCCN(C)c4ccccn4)cc3)n2)c(C)c1,CID1481484,,,,,,0.0,,,,,,,,,,,
O=C(NNC(=O)c1cc2cc(Br)ccc2oc1=O)c1ccc(O)cc1O,CID1652555,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)NNC(=O)c2cc3cccc(OC)c3oc2=O)cc1,CID1075107,,,,,,,,,,,,,,0.0,,,
COc1ccccc1-n1cnc2cc(NCc3cccs3)ccc21,CID949169,,,,,,,,,,,0.0,,,,,,
COc1ccc(-n2cnc3cc(NCc4cccs4)ccc32)cc1,CID660506,0.0,,,,,,,,,,,,,,,,
C=CCn1c(SCC(=O)N2CCc3ccccc3C2)nc2sc(C)c(C)c2c1=O,CID989908,,,,,,,,,,,,,,,0.0,,
C=CCn1c(SCC(=O)N2CCc3ccccc3C2)nc2sc(C)cc2c1=O,CID989906,,,,,,,,,,,,,,,0.0,,
C/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1ccc(Br)s1,CID1370977,,,,,,,,,,,,,,0.0,,,
C/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1ccc(C(=O)O)s1,CID842176,,,,,,,,,,,,,,0.0,,,
O=C(Nc1ccc(F)cc1F)c1cccn(Cc2ccccc2)c1=O,CID1478494,,,,,,,,,,,,,,0.0,,,
CN(C(=O)c1cccn(Cc2ccccc2)c1=O)c1ccccc1,CID1478498,,,,,,,,,,,,,,,0.0,,
CCOc1cccc(C2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)c1OCC,CID660592,0.0,,,0.0,0.0,,,,,,,0.0,0.0,,,,
COc1cccc(C2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)c1OC,CID2828683,0.0,,0.0,0.0,0.0,,0.0,0.0,,,,,,,,,
COc1ccc(/N=c2\cc(-c3ccc(OC)cc3)oc3ccccc23)cc1,CID1894471,,,,,,,,,,,,,,,0.0,,
COc1ccc(-c2c/c(=N\c3ccc(C(=O)O)cc3)c3cc(C)ccc3o2)cc1,CID1181520,,,,,,,,,,,,,,0.0,0.0,,
CN(C)/C=C1\C(=O)N(c2ccc(Cl)cc2)CS1(=O)=O,CID1475325,,,,,,,,,,,,,,,0.0,,
COc1ccc(N2CS(=O)(=O)/C(=C/N(C)C)C2=O)cc1,CID1478363,,,,,,0.0,,,,,,,,,,,
COc1ccccc1NCC(=O)N/N=C/c1cccnc1,CID717684,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(N(C(C)C(=O)N/N=C/c2cccnc2)S(C)(=O)=O)cc1,CID2857041,,,,,,,,,,,,,,0.0,,,
Cc1nc2cc(-c3cccs3)[nH]n2c(=O)c1C,CID784808,,,,,,,,,,,0.0,,,,,,
CCc1c(C)nc2cc(-c3cccs3)[nH]n2c1=O,CID784809,,,,0.0,,,,0.0,,,0.0,,,,,0.0,0.0
COc1ccc(COC(=O)NNC(=O)c2ccccc2Cl)cc1,CID870509,,,,,,,,,,0.0,0.0,,,,,,
COc1ccc(COC(=O)NNC(=O)c2ccc(OC)cc2)cc1,CID789951,,,,,,,,,0.0,0.0,,,,,,,
CSc1nccc(-c2nn(-c3ccc(C)cc3)ccc2=O)n1,CID1484996,,,,,,,,,,,0.0,,,,,,
CCSc1nccc(-c2nn(-c3ccc(C)cc3)ccc2=O)n1,CID1485000,,,,,,,,,,,,0.0,,,,,
O=S(=O)(c1cccs1)N1CCc2ccccc21,CID654187,,,0.0,,,0.0,0.0,,,,,,,,,,0.0
CC1Cc2ccccc2N1S(=O)(=O)c1cccs1,CID2943362,,,,0.0,,,,,,,,,0.0,,0.0,0.0,
COc1ccc(-c2ccc(SCC(=O)NCc3ccco3)nn2)cc1OC,CID646481,0.0,0.0,,0.0,0.0,,,,,,,,,,,,0.0
COc1ccc(-c2ccc(SCC(=O)NCc3ccco3)nn2)cc1,CID644447,0.0,,,,0.0,,0.0,0.0,,0.0,,,,,,,
O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccccc1C(=O)N1CCCC1,CID646485,,,,,,,0.0,0.0,0.0,,0.0,,0.0,,,,
CCC(C(=O)Nc1ccccc1C(=O)N1CCCC1)N1C(=O)c2ccccc2C1=O,CID2971711,,,0.0,,0.0,,,,,0.0,,,0.0,,,,
COc1ccc(OCC(O)Cn2c(Nc3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)cc1,CID646488,,,0.0,,,,0.0,0.0,,,,,,,,,
COc1ccc(OCC(O)Cn2c(Nc3cccc(C)c3)nc3c2c(=O)n(C)c(=O)n3C)cc1,CID662626,,,,,,,,0.0,,,,,,,,,
Cc1ccc(S(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1S(=O)(=O)N1CCCC1,CID1117945,,,,,0.0,,,,0.0,,,,,,,0.0,
O=S(=O)(c1cccc(S(=O)(=O)N2CCCC2)c1)c1cccc(S(=O)(=O)N2CCCC2)c1,CID1379160,,,,,0.0,,,,0.0,,,,,,,,
Cc1nc2sc(C(c3cccs3)N3CCN(C(=O)c4ccco4)CC3)c(O)n2n1,CID4393835,,,,,,,,,,,,,0.0,,,,
O=C(c1ccco1)N1CCN(C(c2cccs2)c2sc3ncnn3c2O)CC1,CID4190969,,0.0,,,,0.0,,,,,,0.0,,,,0.0,
CC1=C(C(=O)OCC2CCCO2)C(c2ccncc2)C2=C(CC(C)(C)CC2=O)N1,CID2864661,,0.0,,0.0,0.0,,0.0,,,,,0.0,,,,,
CC1=C(C(=O)OCC2CCCO2)C(c2ccncc2)C2=C(CCCC2=O)N1,CID2863506,,0.0,,,,,0.0,,,,,,,,,,
CCn1c(=O)c(C(=O)CN2CCCc3ccccc32)c(N)n(Cc2ccccc2)c1=O,CID2089985,0.0,,0.0,0.0,,,,,,,,,,0.0,0.0,,0.0
Cn1c(=O)c(C(=O)CN2CCCc3ccccc32)c(N)n(Cc2ccccc2)c1=O,CID2087892,0.0,0.0,,0.0,,,0.0,,,,,,0.0,,,,
CCC(CC)c1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)s1,CID2094245,,,,,,0.0,,,,0.0,0.0,,,,,,
CCc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)s1,CID2999392,,,0.0,,0.0,0.0,,,0.0,0.0,0.0,,,,,0.0,0.0
O=C(Oc1cccc2cccnc12)N1CCCC1,CID970500,,,0.0,,,,,0.0,0.0,,,,,0.0,0.0,,
Cc1ccc2cccc(OC(=O)N3CCCC3)c2n1,CID970906,,,,0.0,,,,,0.0,0.0,,,,0.0,,,
O=C(Nc1ccccc1F)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1,CID4876694,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccc(Cl)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1,CID3898981,,,,,,,,,,,,,,,0.0,,
Cc1cccc(Nc2nn3c(=O)c4ccccc4nc3s2)c1,CID3238944,0.0,0.0,,,,,,,,,,,,,,,0.0
Cc1ccccc1Nc1nn2c(=O)c3ccccc3nc2s1,CID3245237,0.0,0.0,,,,0.0,,,,,,,,,,0.0,
COc1ccc(NS(=O)(=O)CC23CCC(CC2=O)C3(C)C)cc1,CID4690553,,,,,,,,,,,0.0,,,,,,
COc1ccccc1NS(=O)(=O)CC12CCC(CC1=O)C2(C)C,CID3241937,,,0.0,0.0,,,,,0.0,,,,,,,,
C/C(=N\OCc1ccc(Cl)cc1)c1ccc(CC#N)s1,CID1488550,,,,,,,,,,,,,,0.0,,,
C/C(=N\OCc1ccc(C)cc1)c1ccc(CC#N)s1,CID1488547,,,,,,,,,,,,,,,0.0,,
O=C(NCc1ccco1)C1CCN(C(=O)c2cc3sccc3n2Cc2ccc(Cl)cc2)CC1,CID3237853,0.0,,,,0.0,0.0,,,,,,,0.0,,,,
O=C(NCc1ccco1)C1CCN(C(=O)c2cc3sccc3n2Cc2ccc(F)cc2)CC1,CID3240671,0.0,,,,,,,,,,,,,,,,0.0
CCOc1ccc(CC(=O)Nc2c(C(N)=O)oc3ccccc23)cc1OCC,CID1045996,0.0,,,,0.0,,,,,,,0.0,,,,,
CCOc1ccc(CC(=O)Nc2c(C(N)=O)oc3ccc(Br)cc23)cc1OCC,CID1267237,,,,,,,0.0,,,,0.0,,,,,,0.0
CCOC(=O)c1cnn(CC2CCCCC2)c1N,CID684548,,,0.0,0.0,,0.0,,,,,,,0.0,,,0.0,
N#Cc1cnn(CC2CCCCC2)c1N,CID684453,,0.0,0.0,,,,0.0,0.0,,,,,,,,0.0,
COc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCCN2CCCCCC2)o1,CID5307551,,,,,,,0.0,0.0,,,,,,,,,
O=C(NCCN1CCCCCC1)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1,CID5307436,0.0,,,,,,,,,,,,,,,0.0,
Cc1ccc(N2NC(=O)/C(=C/c3c[nH]c4ccccc34)C2=O)cc1Cl,CID5345930,,,,,,0.0,,,,,,,,,,,
CCn1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc21,CID2258488,,,,,,0.0,,,,,,,,,,,
CC(=O)c1ccc(Oc2cc(C)nc(-n3nc(C)cc3C)n2)cc1,CID657680,,0.0,0.0,0.0,,,0.0,0.0,,,0.0,,,,0.0,,
COC(=O)c1ccc(Oc2cc(C)nc(-n3nc(C)cc3C)n2)cc1,CID658411,,,,,,0.0,,0.0,,,,,,,,,
COc1ccc(Oc2nc(SC)nc3ccccc23)cc1,CID1479836,,,,,,,,,,,,0.0,,,0.0,,
CSc1nc(Oc2ccc(F)cc2)c2ccccc2n1,CID1479834,,,,,,0.0,,,,,,,,,,,
CCC(=O)N1CCN(c2nc(-c3ccccc3)c3c(c2C#N)CCCC3)CC1,CID1318439,,,,,,,,,,,,,0.0,,,,0.0
CC(C)C(=O)N1CCN(c2nc(-c3ccccc3)c3c(c2C#N)CCCC3)CC1,CID658245,0.0,0.0,0.0,0.0,,,0.0,0.0,,,,,0.0,,,,
Cc1ccc(N2CCN(CC(O)COC3CCCCC3)CC2)cc1,CID2931390,,,,,,,,,,,0.0,0.0,0.0,,,,
OC(COC1CCCCC1)CN1CCN(c2ccccc2)CC1,CID2933098,,,,0.0,,,,,,0.0,0.0,,,,,,0.0
O=C(CCn1nc(-c2ccccc2)c2ccccc2c1=O)NCC1CCCO1,CID662201,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,,0.0,,,,,
Cc1ccc(-c2nn(CCC(=O)NCC3CCCO3)c(=O)c3ccccc23)cc1,CID662958,,,0.0,,0.0,,0.0,,,0.0,0.0,0.0,,,,,
Cc1cc(C)cc(NC(=O)CSc2nnc(CNC(=O)c3cccs3)o2)c1,CID3237427,,,,,0.0,,,,0.0,,0.0,,0.0,,,0.0,0.0
O=C(CSc1nnc(CNC(=O)c2cccs2)o1)Nc1cccc(C(F)(F)F)c1,CID3239418,,,,,0.0,,,,,,,,,,,,0.0
CCOC(=O)C1(C(F)(F)F)N=C(N(C)C)OC(N(C)C)=N1,CID3244768,,,,,,,,,,,,,,,,,0.0
COC(=O)C1(C(F)(F)F)N=C(N(C)C)OC(N(C)C)=N1,CID3245388,,,,0.0,,,0.0,,,,,,,,,,
c1cn(-c2ncnc3sc4c(c23)CCCC4)cn1,CID796774,,0.0,,,,,,,,0.0,,,,,,0.0,
Cc1nccn1-c1ncnc2sc3c(c12)CCCC3,CID800327,,0.0,,,,,0.0,,,,,,0.0,,0.0,0.0,0.0
CCOC(=O)C1=C(Nc2ccc(OC)cc2)S/C(=C\c2ccc(OCC(=O)O)c(OC)c2)C1=O,CID2275690,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C1=C(Nc2ccc(OC)cc2)S/C(=C\c2cc(OC)c(OC)c(OC)c2)C1=O,CID1809100,,,,,,,,,,,,0.0,,,,,
Cc1ccc(OCC(=O)Nc2sc3c(c2C(N)=O)CCC(C)C3)c(C)c1,CID2787491,,,,,,0.0,,,,,,,,,,,
CC1CCc2c(sc(NC(=O)COc3ccccc3C(C)(C)C)c2C(N)=O)C1,CID2789748,,,,,,0.0,,,,,,,,,,,
O=C(NCc1ccco1)c1ccccc1Nc1ccc(F)cc1,CID2525456,,,,,,,,,,,,,,,,,0.0
Cc1cccc(Nc2ccccc2C(=O)NCc2ccco2)c1C,CID4968434,,,,,,0.0,,,,,,,,,,,
COc1ccc(-c2nc(-c3ccc4c(c3)OCO4)[nH]c2-c2ccc(OC)cc2)cc1,CID1116520,,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2[nH]c(-c3ccc4c(c3)OCO4)nc2-c2ccccc2)cc1,CID1239374,,,,,,0.0,,,,,,,,,,,
CC(=O)c1ccc(-n2nnnc2SCC(=O)NNC(=O)c2ccco2)cc1,CID3212989,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(-n2nnnc2SCC(=O)NNC(=O)c2ccco2)cc1,CID1147166,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)n2nc(-c3cccnc3)nc2n1,CID934656,,0.0,0.0,0.0,,,,,,,,0.0,,,,,
Cc1nc2nc(-c3cccnc3)nn2c(C)c1Cl,CID666460,0.0,,0.0,0.0,,,,,,,,,,,0.0,,
COc1ccc(C(=O)COC(=O)CN2C(=O)NC(C)(C)C2=O)cc1OC,CID2078054,,,0.0,,,,,0.0,,,,,,,,,0.0
CC(OC(=O)CN1C(=O)NC(C)(C)C1=O)C(=O)c1ccccc1,CID4877178,,,,,,,,,0.0,,,,,,,,
O=C(OCN1C(=O)c2ccccc2C1=O)c1ccccc1,CID1322784,,,,,,,,,0.0,,,,,,,,
COc1ccc(C(=O)OCN2C(=O)c3ccccc3C2=O)cc1,CID892857,,,,,,,,,,,,,,,0.0,,
COc1ccc(Cl)cc1NC(=O)N1CCN(CCc2ccccc2)CC1,CID1240497,0.0,,,,,,0.0,,,,,,,,,0.0,0.0
CCOC(=O)c1ccc(NC(=O)N2CCN(CCc3ccccc3)CC2)cc1,CID2971346,0.0,,,,,,,,0.0,,,0.0,,,,,
CN(Cc1ccccc1)c1nc2c(c(=O)n(C)c(=O)n2C)n1CCSc1ncccn1,CID2992148,,0.0,,,0.0,,,,,,0.0,,,,,,
Cc1ccnc(SCCn2c(N(C)Cc3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)n1,CID2989139,0.0,,,,0.0,,,,,,,0.0,0.0,,,,
COC(=O)Cc1sc(-c2ccccn2)nc1-c1ccccc1,CID1472851,,,,,,,,,,,,,,0.0,,,
Fc1ccc(-c2csc(-c3ccccn3)n2)cc1F,CID2446134,,,,,,,,,,,,,,,0.0,,
Cc1cc(NC(=O)CCCC(=O)N(CC(=O)NCCc2ccccc2)Cc2ccc(F)cc2)no1,CID650411,,,,,,0.0,,,,,,,,,,,0.0
Cc1ccc(CN(CC(=O)NCCc2ccccc2)C(=O)CCCC(=O)Nc2cc(C)on2)cc1,CID651685,,,,0.0,,,,0.0,,,0.0,0.0,0.0,,0.0,,0.0
CCOC(=O)c1nnc(-c2ccccc2)nc1NCc1ccc(Cl)cc1,CID6404630,,,,,,0.0,,,,,,,,0.0,,,
CCOC(=O)c1nnc(-c2ccccc2)nc1NCc1ccccc1,CID6404629,,,,,,0.0,,,,,,,,,,,
O=C(NCc1ccccn1)c1cccc(NS(=O)(=O)c2cccc(F)c2)c1,CID984893,,,,,,,,,,,,,,0.0,,,
O=C(NCc1ccccn1)c1cccc(NS(=O)(=O)c2ccccc2F)c1,CID2243258,,,,,,,,,,,,,,0.0,,,
CC(=O)c1ccc(NC(=O)CSc2ccsc2[N+](=O)[O-])cc1,CID16195563,,,,,,,,,,,,,,0.0,,,
O=C(CSc1ccsc1[N+](=O)[O-])Nc1cc(F)ccc1F,CID16195564,,,,,,,,,,,,,,0.0,,,
O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)N1CCN(S(=O)(=O)c2ccccc2)CC1,CID2999289,,,,,0.0,,,,,,0.0,,0.0,,,0.0,0.0
O=C(COC(=O)C12CC3CC(CC(O)(C3)C1)C2)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1,CID2998193,,,0.0,,,,,,,0.0,,,,,,,
COC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)C1CC(=O)N(Cc2ccco2)C1,CID2999285,,,,0.0,,,,,,,,,,,,,
CCOC(=O)c1sc(N)c(C(=O)OCC)c1COC(=O)C1CC(=O)N(Cc2ccco2)C1,CID2998733,,,0.0,,0.0,,,,,,,,,,,,
CCS(=O)(=O)n1nc(C(=O)N2CCOCC2)nc1N,CID648166,,,,,,,,,,,,,,0.0,,,
CS(=O)(=O)n1nc(C(=O)N2CCOCC2)nc1N,CID648936,,,,,,,,,,,,,,,,,0.0
CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccccn2)Cc2ccco2)cc1,CID648165,,,,,0.0,,,,,,,,,,,,0.0
CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccccn2)Cc2ccco2)cc1,CID650977,,,0.0,,0.0,,0.0,,,,,,0.0,,,,
COc1cc(OC)cc(C(=O)NNC(=S)NCc2ccco2)c1,CID1849987,,,,,,,,,,,,,,0.0,,,
CC(C)c1cc(C(=O)NNC(=S)NCc2ccco2)c(O)c(C(C)C)c1,CID2211008,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NCc2nnc(SCCN3CCCCC3)n2CC2CCCO2)cc1Cl,CID645075,0.0,0.0,0.0,,0.0,,,,,,,0.0,,,,,0.0
Cc1ccc(NCc2nnc(SCCN3CCCCC3)n2CC2CCCO2)c(C)c1,CID654709,0.0,,,,,0.0,,,,,,,,,,0.0,
C=CCn1c(SCC(=O)Nc2sccc2C(N)=O)nc2sc(C)c(C)c2c1=O,CID2589475,,,,,0.0,,,,,,,0.0,,,,,
C=CCn1c(SCC(=O)Nc2sccc2C(N)=O)nc2sc(CC)cc2c1=O,CID2472113,,,,,,,,,0.0,,,,,0.0,,,
CN1CCC(N(C)Cc2cccnc2)CC1,CID2838365,,,,,,,,,0.0,,0.0,0.0,,,,,
CC1(C)CC(NCc2cccnc2)CC(C)(C)N1,CID646877,,0.0,,,,0.0,,,,,,0.0,,,,,
O=C(Nc1ccc2c(c1)OCO2)C(c1ccc(Cl)cc1)N1CCC2(CC1)OCCO2,CID3237957,,0.0,,,,0.0,,,,,,,,,,0.0,0.0
O=C(Nc1ccc2c(c1)OCO2)C(c1ccccc1)N1CCC2(CC1)OCCO2,CID3238748,,,0.0,,,,0.0,,,0.0,,,,,,,
COC(=O)c1cc(COc2ccc3c4c(c(=O)oc3c2)CCC4)c(C)o1,CID1756873,,,,,,,,,,,,0.0,,,0.0,,
Cc1oc(C(=O)O)cc1COc1ccc2c3c(c(=O)oc2c1)CCC3,CID2055784,,,,,,,,,,,,,,,0.0,,
CC(=O)c1cc(CN2CCN(C(C)C)C(CCO)C2)cs1,CID16189985,,,,,,,,,,,,,,0.0,,,
CC(C)CCN1CCN(Cc2ccsc2)CC1CCO,CID16187229,,,,,,,,,,,,,,,0.0,,
O=[N+]([O-])c1ccccc1/C=C/C=N/n1c(-c2ccco2)n[nH]c1=S,CID1833365,,,,,,,,,,,,,,0.0,,,
CC(=C/c1ccccc1)/C=N/n1c(-c2ccco2)n[nH]c1=S,CID668570,,,,,,0.0,,,,,,,,,,,
CS(=O)(=O)N1CCN(c2ccccc2NC(=O)c2cccnc2)CC1,CID1017981,,,,,,,,0.0,,,,,,,,,0.0
CS(=O)(=O)N1CCN(c2ccccc2NC(=O)c2cccnc2Cl)CC1,CID979827,,,,,,0.0,,,0.0,,0.0,0.0,,,,,
N#Cc1c(=O)c2nc(NCc3ccccc3)ncc2n2ccccc12,CID2310701,,,,,,,,,,,,0.0,,0.0,,,
CC(=O)N(Cc1ccccc1)c1ncc2c(n1)c(=O)c(C#N)c1ccccn12,CID2310700,,,,,,,0.0,0.0,,,0.0,,,,,,
O=[N+]([O-])c1ccc(N2CCCCC2)c(Cl)c1N1CCCCC1,CID2841163,,,,,,0.0,,,,,,,,,,,
Nc1ccc(N2CCCCC2)cc1N1CCCCC1,CID655480,,,,0.0,,,0.0,,,,,,,,,0.0,
c1ccc(-c2nnn(C34CC5CC(CC(C5)C3)C4)n2)cc1,CID2841167,,0.0,,0.0,,,,,,,,0.0,,,,,
O=[N+]([O-])c1cccc(-c2nnn(C34CC5CC(CC(C5)C3)C4)n2)c1,CID7832117,,,,,,0.0,,,,,,,,,,,
CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)NC(=O)NCc2ccccc2)cc1,CID2124149,,,,,0.0,,,,0.0,,0.0,,,,,,
COc1cccc(OC)c1C(=O)OCC(=O)NC(=O)NCc1ccccc1,CID2122372,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(NC(=O)CC2C(=O)N(c3ccccc3)C(=O)N2Cc2ccccn2)cc1,CID2962731,,,,,,,,,0.0,,,0.0,,,,,
O=C(CC1C(=O)N(c2ccc(F)cc2)C(=O)N1Cc1ccccn1)Nc1ccccc1,CID2962732,,,,,,,,,,,,0.0,,,,,
Cc1ccccc1N(C(=O)Cc1cccs1)C(C(=O)NCC1CCCO1)c1cccnc1,CID3216680,,,,,,0.0,,,,,,,,,,,
O=C(NCC1CCCO1)C(c1cccnc1)N(C(=O)Cc1cccs1)c1ccccc1,CID3216679,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C(=O)NCc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1,CID1480736,,,,,,0.0,,,,,,,,,,,
COc1cccc(C(=O)NCc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1,CID3698617,,,,,,0.0,,,,,,0.0,,,,,
CC(c1cccs1)N(C(=O)Nc1ccccc1)C1CCCCC1,CID3283744,,,,,,0.0,,,,,,,,,,,
COc1cccc(NC(=O)N(C2CCCCC2)C(C)c2cccs2)c1,CID4090826,,,,,,,,,0.0,,,,,,,,
O=C(OCc1nc2ccccc2s1)C1CCCN1S(=O)(=O)c1ccccc1F,CID2525399,,,,,,,,,,0.0,,,,,,,
Cc1ccc(S(=O)(=O)N2CCCC2C(=O)OCc2nc3ccccc3s2)cc1,CID2998965,,,,0.0,,,0.0,,,,0.0,,,,,,
Cc1ccc2c(c1)CNc1ccccc1O2,CID649766,,,,,,0.0,,0.0,,,0.0,,,,,,
c1ccc2c(c1)CNc1ccccc1O2,CID648933,,,,,,,,,,,,0.0,,,,0.0,
O=c1c2c[nH][nH]c-2nc(=S)n1-c1ccccc1,CID848926,,,,,,,,,,0.0,,0.0,,,,,
O=c1c2c[nH][nH]c-2nc(=S)n1-c1ccccc1F,CID3245242,,0.0,,,,,0.0,,,,,,0.0,,,0.0,
CCc1nc(NC(Cc2c[nH]c3ccccc23)C(=O)O)c2oc3ccccc3c2n1,CID664982,,,,0.0,,,,,,,,,,,,,
Cc1nc(NC(Cc2c[nH]c3ccccc23)C(=O)O)c2oc3ccccc3c2n1,CID663984,,,0.0,,,,0.0,,,,,,,,,0.0,
Cc1nn(-c2ccccc2)c(C)c1-c1cc(C(=O)O)[nH]n1,CID664981,,0.0,0.0,0.0,,,,,,,,,,,,,
COC(=O)c1cc(-c2c(C)nn(-c3ccccc3)c2C)n[nH]1,CID1263758,0.0,0.0,0.0,0.0,,,,0.0,,,,,,,0.0,,
OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,CID4748,0.0,0.0,0.0,,0.0,,,,,0.0,,,,,0.0,,
CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,CID4917,0.0,0.0,,,0.0,,,,,,,,,,,,0.0
CC1CCCCN1C(=O)c1ccc(C(=O)N2CCCCC2C)cc1,CID615598,0.0,,,,,,,0.0,,,,,,,0.0,0.0,
CC1CCN(C(=O)c2ccc(C(=O)N3CCC(C)CC3)cc2)CC1,CID653542,0.0,,0.0,,,,0.0,0.0,0.0,,0.0,,,,,,
CO/N=C(/CS(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1,CID1471543,,,,,,,,,0.0,0.0,,,,,0.0,,
CO/N=C(/CS(=O)(=O)c1ccc(Br)cc1)c1ccc(OC)cc1,CID1471545,,,,,,,,,0.0,,0.0,,,,,,
Cc1cccn2c(=O)c3cc(C(=O)NCc4ccccn4)n(C)c3nc12,CID3239461,,,0.0,,,,0.0,0.0,,,0.0,,,,,,
Cn1c(C(=O)NCc2ccccn2)cc2c(=O)n3ccccc3nc21,CID3239827,,0.0,0.0,0.0,,,,,,,,,,,,0.0,
CC(/C=N/NC(=O)C(O)c1ccccc1)=C\c1ccccc1,CID11958903,,,,,,0.0,,,,,,,,,,,
O=C(Cc1ccccc1)N/N=C/C=C/c1cccc([N+](=O)[O-])c1,CID1944152,,,,,,0.0,,,,,,,,,,,
COc1ccc(C2=NCCc3cc(OC)c(OC)cc32)cc1,CID872504,,,,,,,,,,,,,,0.0,,,
COc1ccc(C2=NCCc3cc(OC)c(OC)cc32)cc1OC,CID429249,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)c2cnc(-c3ccccc3)nc2N2CCN(C)CC2)cc1,CID1488909,,,,,,,,,,,,,,,0.0,,
CN1CCN(c2nc(-c3ccccc3)ncc2S(=O)(=O)c2ccccc2)CC1,CID1487975,,,,,,,,,,,,,,,0.0,,
Cc1ccc(NC2=C([N+](=O)[O-])CS(=O)(=O)C2)cc1,CID794479,,,,,,,,,,,,0.0,,,,,
CN(C)c1ccc(NC2=C([N+](=O)[O-])CS(=O)(=O)C2)cc1,CID794339,,,,,,,,,0.0,,,,,,,,
Cn1c(SCC(=O)Nc2cccc(NC(=O)c3cccs3)c2)nnc1-c1ccncc1,CID646821,,,0.0,,,,,,0.0,0.0,,0.0,,,,,0.0
CCn1c(SCC(=O)Nc2cccc(NC(=O)c3cccs3)c2)nnc1-c1ccncc1,CID653177,,,0.0,1.0,,,,,0.0,,,0.0,,,,,
COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)Nc1ccccc1,CID777331,,,,,,,,,,,0.0,0.0,,,,,
CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)Nc1ccccc1,CID874053,,,,,,0.0,,,0.0,,,0.0,,,,,
O=C(Nc1nc(-c2cc3ccccc3oc2=O)cs1)c1ccco1,CID2054987,0.0,,,,0.0,,0.0,,,0.0,,,0.0,0.0,,,
O=C(Nc1nc(-c2cc3ccccc3oc2=O)cs1)c1ccc(Br)o1,CID2316733,,,,,,,,,0.0,,,,,0.0,,,
c1nc(NCC2(N3CCOCC3)CCCCC2)c2ccsc2n1,CID2549953,,0.0,,,,,,0.0,,,,,,,,,
Cc1sc2ncnc(NCC3(N4CCOCC4)CCCCC3)c2c1C,CID2547028,,,,,,,,,,,,0.0,,,,,
Cn1nnnc1SCC(=O)Nc1ccccc1N1CCOCC1,CID647118,,,,,0.0,,,,0.0,,0.0,,0.0,,0.0,,
CC(C)n1nnnc1SCC(=O)Nc1ccccc1N1CCOCC1,CID645894,,,0.0,0.0,0.0,,,,,,0.0,,,,0.0,,
CCc1cccc2c(C(=O)CSc3nnc(-c4ccoc4C)n3C)c[nH]c12,CID2484519,,,,,,1.0,,,,0.0,0.0,,,,,,
Cc1occc1-c1nnc(SCC(=O)c2c[nH]c3ccccc23)n1C,CID2555233,,0.0,0.0,,0.0,,0.0,,,,0.0,,0.0,,,0.0,0.0
O=C(COc1ccc2ccccc2c1)N1CCN(c2ccccc2O)CC1,CID2366410,,,,,,,,0.0,0.0,,,0.0,,,,,0.0
COc1ccc(N2CCN(C(=O)COc3ccc4ccccc4c3)CC2)cc1,CID1303417,0.0,,,,,,0.0,,0.0,,,0.0,,,,,
CCn1c(=O)c(C(=O)CN2CCOCC2)c(N)n(Cc2ccccc2)c1=O,CID2119654,,,,,,,0.0,,,,0.0,,,,,,
Cn1c(=O)c(C(=O)CN2CCOCC2)c(N)n(Cc2ccccc2)c1=O,CID2091447,,0.0,0.0,,,,,0.0,,,,,,,,,0.0
Cc1ccccc1S(=O)(=O)Nc1ncnc2scc(-c3ccccc3)c12,CID2123929,,,,,,,,,,,,,,0.0,,,
Cc1ccc(-c2csc3ncnc(NS(=O)(=O)c4ccc(Cl)cc4)c23)cc1,CID2123923,,,,,,,,,,,,,,0.0,,,
COCCN(C(=O)C1CC1)c1nnc(-c2ccc(C)cc2)s1,CID3212635,,,,,,,,,,,0.0,,,,,,
COCCN(C(=O)C1CC1)c1nnc(-c2cccc(C)c2)s1,CID653963,0.0,0.0,,0.0,0.0,0.0,0.0,,,,,,0.0,0.0,,,0.0
CN1CCN(CC(=O)Nc2nc(-c3ccccc3)cs2)CC1,CID658908,,,,,,,,,,,0.0,,,,,,
CN1CCN(CC(=O)N(C)c2nc(-c3ccccc3)cs2)CC1,CID657870,0.0,0.0,0.0,0.0,,,,,,,,,,,,0.0,
CC(C)C(NS(=O)(=O)c1cccs1)C(=O)N1CCc2ccccc2C1,CID3245486,,,,,0.0,,,,,,,0.0,,,,,
O=C(CNS(=O)(=O)c1cccs1)N1CCc2ccccc2C1,CID3245974,,0.0,,0.0,0.0,,,,0.0,,,,,,,,0.0
Cc1cc(C)c2c(N)c3ccccc3nc2n1,CID780996,,,,,,,,,,,,0.0,,,,,
CCc1ccc2nc3nc(C)cc(C)c3c(N)c2c1,CID711946,,,,,,,,,,,,0.0,,,,,
CC(NC(C)C)=C1C(=O)CCC1=O,CID2997792,,,,,,,0.0,0.0,,,,,,,,,
C=CCNC(C)=C1C(=O)CCC1=O,CID660797,,0.0,,,,,,,,,,,,,,,0.0
Cc1ccccc1Oc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)cc1,CID1281354,,,,,0.0,,,,,0.0,,0.0,,,,0.0,
O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CC1,CID1281358,,,,,,,,,,0.0,,,,,,,
O=c1c2c3c(sc2nc(NCCO)n1Cc1ccco1)CCCCC3,CID1828997,,,,,,,,,,,,,,0.0,,,
COCCNc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCCCC3,CID2035962,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)N2CCOCC2)cc1S(=O)(=O)N1CCC(C)CC1,CID2174062,,,0.0,,,,,,,,,,,,,0.0,
O=C(c1cccc(S(=O)(=O)N2CCCCC2)c1)N1CCOCC1,CID558807,,,,,,,,,,0.0,,,,,,0.0,
CCOC(=O)N1CCN(C(=O)c2cc(Cl)ccc2NC(=O)c2ccc(OC)cc2)CC1,CID2941333,0.0,,,,,,,,,0.0,,,0.0,,,,0.0
CCOC(=O)N1CCN(C(=O)c2ccccc2NC(=O)c2ccc(OC)cc2)CC1,CID2941192,,,0.0,,,,0.0,0.0,,,,,,,,0.0,0.0
Cc1ccc(-c2c3c([nH]c(=S)c2C#N)CCCC3)o1,CID783279,,0.0,,,,,0.0,0.0,,,,0.0,0.0,,,,0.0
N#Cc1c(-c2ccco2)c2c([nH]c1=S)CCCC2,CID746207,,,,,,,,,,,,,0.0,,0.0,,0.0
COc1ccc2c(c1)[nH]c1c(=O)n(CCc3cnc[nH]3)cnc12,CID666619,,,,,,,,,,,,0.0,0.0,,0.0,,
Cc1ccc2[nH]c3c(=O)n(CCc4cnc[nH]4)cnc3c2c1,CID919386,,,,,,,,,,,,,,,0.0,,
COc1cc(OC)cc(OCC(O)Cn2cnc(-c3ccccc3)c2)c1,CID2963342,,,,,,,,,0.0,,,0.0,,,,,0.0
COc1ccc(OCC(O)Cn2cnc(-c3ccc(Br)cc3)c2)cc1,CID3158778,,,,,,,,,0.0,,,0.0,,,,,
COc1ccccc1N1CC=C(c2cccc([N+](=O)[O-])c2)NC1=O,CID915709,,,,,,0.0,,,,,,,,,,,
O=C1NC(c2cccc([N+](=O)[O-])c2)=CCN1c1ccccc1O,CID161930,,,,,,,,0.0,,,,,,,,,
COc1cccc(CN2C(=O)CCC2(C)C(=O)NC2CCCCC2)c1,CID4108711,0.0,,,,,,,0.0,,,0.0,,,,,0.0,
COc1ccc(CN2C(=O)CCC2(C)C(=O)NC2CCCCC2)c(OC)c1,CID3242895,0.0,,,,0.0,,,,0.0,,0.0,,,,,,0.0
CN(C)CCCN1C(=O)c2oc3ccccc3c(=O)c2C1c1cccs1,CID663773,0.0,,,0.0,,,0.0,0.0,,,,0.0,0.0,,,,
Cc1ccc2oc3c(c(=O)c2c1)C(c1cccs1)N(CCCN(C)C)C3=O,CID5310358,,0.0,,,,,0.0,,,,,,,,,,
COc1cccc(-c2nc(CS(=O)(=O)CC(=O)N3CCN(C)CC3)c(C)o2)c1,CID5309848,,,0.0,0.0,,,,,,,,,,,,,
CCN1CCN(C(=O)CS(=O)(=O)Cc2nc(-c3ccc(C)cc3)oc2C)CC1,CID5309203,,,,0.0,,,,,,0.0,,,,,,,
COc1cc(NC(=O)c2cccc3c2C(=O)N(Cc2cccnc2)C3)cc(OC)c1OC,CID5309844,,,0.0,,,,,0.0,,,,,,,,,
CCOc1ccc(NC(=O)c2cccc3c2C(=O)N(Cc2cccnc2)C3)cc1,CID3238619,0.0,0.0,0.0,,0.0,,,,,,,,0.0,,,,
O=C(OCC(=O)c1c[nH]c2ccccc12)c1ccc(Br)o1,CID2453041,,,,,,,,,,,,0.0,,,0.0,,
O=C(OCC(=O)c1c[nH]c2ccccc12)c1ccco1,CID664936,,,0.0,,,0.0,0.0,,,,0.0,,,,,,0.0
N#CCSc1nnc(COc2cccc3ccccc23)n1-c1ccccc1,CID649440,0.0,,,,0.0,0.0,,,,,,,,,,0.0,
N#CCSc1nnc(COc2cccc3ccccc23)n1-c1cccc(Cl)c1,CID647578,0.0,0.0,0.0,,0.0,,,,,,0.0,0.0,,,,,
CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCCc4ccccc43)nnc12,CID649447,,,,0.0,,,,,,,0.0,,,,,,
C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCCc4ccccc43)nnc12,CID2415654,,,,,,0.0,0.0,,,,,,,,,,
O=C(O)COc1ccc(-c2nccc(-c3cccs3)n2)cc1,CID1491130,,,,,,,,,,,,0.0,,0.0,,,
COC(=O)C(C)Oc1ccc(-c2nccc(-c3cccs3)n2)cc1,CID2767750,,,,,,,,,,,,,,0.0,,,
CC1CCCN(C(=O)c2ccc(S(=O)(=O)N3CCC(c4nc5ccccc5s4)CC3)cc2)C1,CID3223531,,,,,,,,,,,0.0,,,,,,
O=C(c1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1)N1CCCCC1,CID1436898,,,,,,,,,,,,0.0,,,,,
Cc1ccc(OC(=O)CCc2c(C)nc3ncnn3c2C)cc1,CID3237920,,0.0,,,,,,,,,,0.0,0.0,,,,
Cc1nc2ncnn2c(C)c1CCC(=O)Oc1ccccc1,CID3238631,,0.0,0.0,,,,,0.0,,,,0.0,,,,,0.0
O=c1c2ccccc2nc(-c2ccc(Cl)cc2)n1C1CCS(=O)(=O)C1,CID2941775,,,,,,,,,,0.0,,,,,,,
Cc1ccccc1-c1nc2ccccc2c(=O)n1C1CCS(=O)(=O)C1,CID2941819,,0.0,,,,,0.0,0.0,,0.0,0.0,0.0,,,,,
CCOC(=O)Cc1csc(NC(=O)CSc2nc3cccnc3n2CC)n1,CID653429,0.0,,,0.0,0.0,0.0,0.0,,0.0,0.0,,,0.0,,,0.0,
CCn1c(SCC(=O)Nc2nc(C)c(C)s2)nc2cccnc21,CID3214226,,,,,,,,,0.0,,,,,,,,
COCCNc1cc(-c2ccccc2)nc2cc(-c3ccc(F)cc3)nn12,CID3230006,,,,,,,,,,,,0.0,,,,,
Cc1ccc(-c2cc(N)n3nc(-c4ccc(C)cc4)cc3n2)cc1,CID671755,,,,,,0.0,,,,,,,,,0.0,,
COCCn1c(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)nc2ccccc21,CID2998931,,0.0,,0.0,,,0.0,0.0,0.0,,0.0,,0.0,,,0.0,
CC(=O)c1c(C)[nH]c(C(=O)CSc2nc3ccc(C)cc3[nH]2)c1C,CID2090790,,,,,,,,,,,0.0,,,0.0,,,
O=C1C=CC=C/C1=C1\N=C(NCc2ccco2)c2ccccc2N1,CID5389551,,0.0,,,,,,,,,,,,,,,
COC1=CC=C/C(=C2\N=C(NCc3ccco3)c3ccccc3N2)C1=O,CID5389349,,0.0,,,,,,,,,,,,,,,0.0
CN(C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2C1c1cccnc1,CID4898159,,,,,,,,,,,,,,,,0.0,
CCN(CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2C1c1cccnc1,CID664227,,,,,0.0,,,,,,,,0.0,,,,
O=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1ccc2c(c1)OCCO2,CID3237758,,,0.0,,,,,0.0,,,,0.0,,,,,
O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccc2c(c1)OCCO2,CID645520,0.0,,,,,,,,0.0,0.0,,0.0,0.0,,,,
Cc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)c(=O)n(C)c(=O)n4C)CC2C)c1,CID3237750,,0.0,0.0,,,,,0.0,,,,,,,,,0.0
Cn1c(=O)c2cc(S(=O)(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc2n(C)c1=O,CID3239627,,,,,0.0,,,,,,,,,0.0,,,
Cc1ccc(CNC(=O)c2cn(C3CCCCC3)c(=O)c3c2c2ccccc2n3C)o1,CID3237751,,,,,0.0,,0.0,0.0,0.0,0.0,,0.0,,,,,0.0
Cn1c2ccccc2c2c(C(=O)NCc3ccco3)cn(C3CCCCC3)c(=O)c21,CID3243316,,0.0,,,0.0,,,,0.0,,,,,,,,0.0
COc1cc(NC(=O)c2ccc3c(=O)n(Cc4ccco4)c(=S)[nH]c3c2)cc(OC)c1OC,CID3241876,,0.0,0.0,,0.0,,,,,,0.0,,,,,,0.0
COc1ccc(NC(=O)c2ccc3c(=O)n(Cc4ccco4)c(=S)[nH]c3c2)c(OC)c1,CID3243869,,,,,0.0,,,0.0,,,,,,,,,
COc1ccccc1OCC(=O)N1CCNC1=O,CID674546,,,,,,,,0.0,,0.0,,,0.0,,,,
O=C(COc1ccccc1)N1CCNC1=O,CID664473,,,,0.0,,,,0.0,0.0,,,0.0,,,,,0.0
O=C(COc1ncnc2ccccc12)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1,CID2125605,0.0,,,,0.0,,,,0.0,,,,,,,,
O=C(COc1ncnc2ccccc12)N1CCN(S(=O)(=O)c2ccccc2)CC1,CID2098213,,0.0,0.0,,,,0.0,,,,,,0.0,,,,0.0
COc1ccc(NC(=S)N2C3CCC2CC(NC(=O)NC24CC5CC(CC(C5)C2)C4)C3)c(OC)c1,CID3220710,,,,,,,,,,,,,,,0.0,,
CCOc1ccccc1NC(=S)N1C2CCC1CC(NC(=O)NC13CC4CC(CC(C4)C1)C3)C2,CID3220706,,,,,,0.0,,,,,,,,,,,
Cc1cc(NC(=O)c2ccc(Cl)cc2)ccc1-c1cc2ccccc2oc1=O,CID3998276,,,,,,0.0,,,,,,,,,,,
COc1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1-c1cc2ccccc2oc1=O,CID3141845,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C1=C(C)NC(=O)NC1c1cc(C)sc1C,CID2981172,,,,0.0,0.0,,0.0,0.0,,,,,,,,0.0,
CCOC(=O)C1=C(C)NC(=O)NC1c1ccsc1,CID2874872,,,,,,,,,,,,0.0,,,,,
N#C/C(C(=O)c1ccco1)=C1\Nc2ccccc2S1,CID5901566,,,,,,0.0,,,,,,,,,,,
CCN1/C(=C/C(=O)c2ccco2)Sc2ccccc21,CID5377877,,,,,,,0.0,,,,,,,,,,
O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NCCC1=CCCCC1,CID2529131,0.0,,,,,,0.0,,,,,,,,0.0,,
Cc1ccc(-c2nnn(CC(=O)NCCC3=CCCCC3)n2)cc1,CID846203,,,,,,,,,,,0.0,,,,,,
CC(=O)c1ccc(OCCCC(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)cc1,CID2547468,,,,,0.0,0.0,0.0,,0.0,,,,,,,,
O=C(CCCOc1ccccc1)N1CCN(S(=O)(=O)c2cccs2)CC1,CID2579712,,,,,,,,,0.0,,,,,,0.0,,
Cc1cc(C)cc(C(=O)NCC(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)c1,CID2436593,,,,,,,,,,,,,,,0.0,,
CCOc1ccccc1C(=O)NC(C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)C,CID2425266,,,,,,,,,,,,,,0.0,,,
Cn1nnnc1SCc1cn2cccnc2n1,CID708775,,0.0,,,0.0,,,,,,,,0.0,,,,
Cc1cc(C)n2cc(CSc3nnnn3C)nc2n1,CID2999197,,0.0,,0.0,0.0,,,,,,,,0.0,,,,
Cc1cc(C)n(N/C=C2\C=Nc3ccccc32)c(=O)c1,CID5310640,,,,,,0.0,,,,,,,,,,,
Cc1cc(C)n(N/C=C2\C=Nc3ccccc32)c(=O)c1C#N,CID5337674,,,,,,,,,,0.0,,,,,,,
Cc1cccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)c1,CID849734,,,,,,,,,,0.0,,0.0,,0.0,0.0,,
Cc1ccccc1Cn1nnc2c1C(=O)c1ccccc1C2=O,CID849733,,,,,,,,,,,0.0,,,,,,
Cc1ccccc1NC(=O)CCCSc1nc2ccccc2s1,CID2084200,,,,,,,,,,,,,,0.0,,,
CC(=O)Nc1ccc(NC(=O)CCCSc2nc3ccccc3s2)cc1,CID2081318,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(F)(F)F)cc1N/C=C\c1nnnn1-c1ccccc1,CID7285280,,,,,,,,,,,,0.0,,,,,
COc1cc(N/C=C\c2nnnn2-c2ccc(Cl)cc2)c(C(C)=O)cc1OC,CID7285276,,,,,,,,,,,,0.0,,,,,
c1ccc2c(c1)[nH]c1nc(SCCN3CCOCC3)nnc12,CID5771727,,,,,,,,,,,,,0.0,0.0,,,
Cc1ccc2[nH]c3nc(SCCN4CCOCC4)nnc3c2c1,CID6398899,,,,,,,0.0,0.0,,,,,,0.0,,,0.0
Cc1nc2sc3c(c2c2nc(-c4ccco4)nn12)CCCC3,CID666880,,0.0,,0.0,,,0.0,0.0,,,0.0,,,,,0.0,
c1coc(-c2nc3c4c5c(sc4ncn3n2)CCCC5)c1,CID773036,,,,,,,0.0,0.0,,0.0,,,0.0,,,,0.0
CCN1CCN(C(=O)c2cc3c(-c4ccc(Cl)cc4)nn(C)c3s2)CC1,CID5309269,0.0,,,,,,,,,,,,,,,,
CCOC(=O)N1CCN(C(=O)c2cc3c(-c4ccc(Cl)cc4)nn(C)c3s2)CC1,CID5309539,0.0,0.0,,,,0.0,,,,0.0,,,0.0,,,,
CCCCn1c(NCc2ccccn2)nc2ccccc21,CID666883,,0.0,,0.0,,,,,,,,0.0,,,,0.0,
CCCn1c(NCc2ccccn2)nc2ccccc21,CID828727,,,,,,,,,,,,0.0,,,0.0,,
Cc1ccc2nsnc2c1S(=O)(=O)N1CCN=C1Cc1ccccc1,CID1298160,0.0,,0.0,0.0,0.0,,0.0,,,0.0,,,,,,,0.0
Cc1cc2nsnc2c(S(=O)(=O)N2CCN=C2Cc2ccccc2)c1C,CID1511459,0.0,,,,0.0,,0.0,,,0.0,0.0,,0.0,,,,
C=CCN1C(=O)S/C(=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)C1=O,CID2187558,,,,,,,,,,,,,,0.0,,,
CCN1C(=O)S/C(=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)C1=O,CID2189117,,,,,,,,,,,,,,0.0,,,
CC1=CC(C)C(/C=N/n2cnnc2)C(C)C1,CID2998409,,,,,,,,,,0.0,0.0,,,,,,
C1=CCC(/C=N/n2cnnc2)CC1,CID2997780,,0.0,,0.0,,0.0,,0.0,,,,,,,,,
Cc1csc(SC(C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)n1,CID2998400,,,,0.0,0.0,,,,,,,,,,,,
Cc1csc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)n1,CID2532925,,,,,0.0,,,,0.0,,,,,,,,
CCOC(=O)CC12CN3CN(C1)CC(CC(=O)OCC)(C3)C2=O,CID647544,,,,,,,,,,,,,0.0,,,,0.0
CC(C)OC(=O)CC12CN3CN(C1)CC(CC(=O)OC(C)C)(C3)C2=O,CID1203360,,,,,,,,,0.0,,,,,,,,
COc1ccc(OCc2nnc(SCC(=O)NCc3ccco3)o2)cc1,CID647545,0.0,0.0,0.0,,0.0,,,,,,0.0,,0.0,,,,0.0
CCc1ccc(OCc2nnc(SCC(=O)NCc3ccco3)o2)cc1,CID646201,0.0,0.0,0.0,,0.0,,0.0,0.0,,,0.0,,,,,,0.0
CCCC(=O)Nc1ccc(NC(=O)C2CC2)cn1,CID649641,,,,,,,,,0.0,,,,,0.0,,,
CCCCC(=O)Nc1ccc(NC(=O)C2CC2)cn1,CID656369,,0.0,,0.0,,,,,,,,,0.0,0.0,0.0,,
CN1C(=O)/C(=C2\SC(N3CCCCCC3)=NC2=O)c2ccccc21,CID2203621,,,,,,,,,,,0.0,,,0.0,,,
Cc1cc(Br)c2c(c1)/C(=C1/SC(N3CCCCCC3)=NC1=O)C(=O)N2,CID5739634,,,,,,,,,,,,,,,,1.0,
CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc3ccccc3c2)c1,CID4880253,,,,,,,,,,,,,,,0.0,,
COC(=O)c1cc(NC(=O)c2ccc3ccccc3c2)cc(C(=O)OC)c1,CID2889173,,,,,,0.0,,,,,,,,,,,
[O-][n+]1c2c(nn1-c1ccccc1Cl)-c1nonc1CC2,CID748550,0.0,0.0,0.0,0.0,,,0.0,,,,,,,,0.0,,
Cc1cccc(-n2nc3c([n+]2[O-])CCc2nonc2-3)c1C,CID807405,,,,,,,,,,,,,,0.0,,,
CC1CC(C)CN(C(=O)c2ccc3c(=O)n(Cc4ccc5c(c4)OCO5)c(=S)[nH]c3c2)C1,CID4346255,,,,,,,,,,,,0.0,,,,,
O=C(c1ccc2c(=O)n(Cc3ccc4c(c3)OCO4)c(=S)[nH]c2c1)N1CCCCC1,CID3237126,,,0.0,,,,0.0,,,0.0,0.0,,0.0,,,,0.0
Cc1ccnc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1,CID2841867,,0.0,,,0.0,,,0.0,,0.0,,,0.0,,,0.0,
COC(=O)CCN(C(=O)C12CC3CC(CC(C3)C1)C2)c1ccccn1,CID2867419,,,,,,,,,0.0,,0.0,,,0.0,,,
O=C(COc1ccc(-n2cnnn2)cc1)NC1CCCCC1,CID2090380,,0.0,,0.0,,,,,,,,,0.0,,,,
CC1CCCCC1NC(=O)COc1ccc(-n2cnnn2)cc1,CID2998278,,0.0,,,,,,,,,,,,,,,
Cc1ccc(-c2nn[nH]n2)o1,CID655677,,0.0,,0.0,,,,,,,,,,,,,
CCN(CC)C(=O)Cn1nnc(-c2ccc(C)o2)n1,CID650890,,,,,,,,,,,,0.0,,,,,
N#Cc1cnc(SCCc2ccccc2)nc1N,CID655670,,0.0,,0.0,,,,,,0.0,0.0,,,,0.0,,
CCOC(=O)c1cnc(SCCc2ccccc2)nc1N,CID864377,,,,,,,,,,0.0,0.0,,,0.0,,,
CC1CCN(c2nc3ccccc3nc2C(C#N)C(=O)NC2CCCCC2)CC1,CID659494,,0.0,,,,,,,,,,,0.0,,,,
N#CC(C(=O)NC1CCCCC1)c1nc2ccccc2nc1N1CCCCC1,CID659394,,,0.0,,,,,0.0,,,,,,,,,
Cc1ccc(-c2nn(CC(=O)NC(C)c3ccccc3)c(=O)c3ccccc23)cc1,CID3152385,,,,,,,,,,,,0.0,,,,,
CC(NC(=O)Cn1nc(-c2ccccc2)c2ccccc2c1=O)c1ccccc1,CID2937233,,,,,,0.0,,,0.0,0.0,,0.0,,,,,
CCn1ncc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)c1C,CID4159792,,,,,,,,,,,0.0,,,,0.0,,
Cc1nn(C)cc1CNC(=O)NC12CC3CC(CC(C3)C1)C2,CID2931972,,0.0,,,,,0.0,,,,,0.0,,,,0.0,
Cc1csc(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)n1,CID2222284,0.0,0.0,,0.0,0.0,,,,,0.0,0.0,,0.0,0.0,,,0.0
Cc1c(NC(=O)CSc2nc(C(C)(C)C)cs2)c(=O)n(-c2ccccc2)n1C,CID1235806,,,,,,,,,,0.0,0.0,,,0.0,0.0,,
COc1ccc(-c2csc(NC(=O)c3cccc(S(=O)(=O)N4CCN(C)CC4)c3)n2)cc1,CID3886646,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-c2csc(NC(=O)c3cccc(S(=O)(=O)N4CCN(C)CC4)c3)n2)cc1,CID2423307,,0.0,,,0.0,,,,0.0,0.0,0.0,,,,,0.0,0.0
Cc1nc(N2CCC(C)CC2)c2c(C)c(C(=O)Nc3cccc(C(F)(F)F)c3)sc2n1,CID4137221,,,,,,,,,,,,,,0.0,,,
Cc1nc(N2CCC(C)CC2)c2c(C)c(C(=O)Nc3ccc(C(F)(F)F)cc3)sc2n1,CID4137406,,,,,,,,,,,,,,0.0,,,
COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OC(=O)c1ccc2c(c1)OCO2,CID1206118,,,,,,,,,,,,0.0,,,,,
COc1cc(/C=N/NC(=O)c2ccc(C)nc2)ccc1OC(=O)c1ccc2c(c1)OCO2,CID16187865,,,,,,,,,,,,,,0.0,,,
CCc1ccc(C(=O)COC(=O)CNC(=O)COc2ccccc2)cc1,CID2382784,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C(=O)COC(=O)CNC(=O)COc2ccccc2C)cc1C,CID2066742,,,,,,0.0,,,,,,,,0.0,,,
O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1,CID2976659,,,,,,,,,,,,0.0,,,,,
COc1ccc2oc(-c3ccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3)nc2c1,CID2980171,,,,,,,,,,,,,,,0.0,,
O=S(=O)(c1ccccc1)N1CCn2c(nc3ccccc32)C1,CID6619706,,,,,,0.0,,,,,,,,,,,
O=S(=O)(c1ccc(Br)cc1)N1CCn2c(nc3ccccc32)C1,CID5308567,0.0,,,,,,,,,,0.0,,,,,0.0,
Cc1c(NC(=O)C(C)OC(=O)c2cc3c4ccccc4n(C)c3s2)c(=O)n(-c2ccccc2)n1C,CID2997686,0.0,,0.0,,0.0,,,0.0,,,,,,,,,0.0
Cc1c(NC(=O)COC(=O)c2cc3c4ccccc4n(C)c3s2)c(=O)n(-c2ccccc2)n1C,CID2091441,0.0,,,0.0,0.0,0.0,0.0,,,,,,,,,,
COc1ccccc1N1CCN(C(=O)Cn2nc(C(F)(F)F)c3c2CCC3)CC1,CID1129747,0.0,,,,0.0,,,,,,,,,,,,0.0
O=C(Cn1nc(C(F)(F)F)c2c1CCC2)N1CCN(c2ccccc2)CC1,CID656034,0.0,,,,0.0,,,,,,,0.0,,,,,0.0
COc1ccc(NC(=O)c2c(C(F)(F)F)nn(C)c2SCc2ccccc2)cc1,CID1473685,,,,,,,,,,,,0.0,,,,,
COc1ccc(NC(=O)c2c(C(F)(F)F)nn(C)c2SCc2ccccc2Cl)cc1,CID1473686,,,,,,,,,,,,0.0,,,,,
Cc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc([N+](=O)[O-])o3)C2=O)c1,CID2201978,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)c(N2C(=O)NC(=O)/C(=C/c3ccc([N+](=O)[O-])o3)C2=O)c(C)c1,CID2274212,,,,,,0.0,,,,,,,,,,,
COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3cc(C)on3)n2)cc1OC,CID653724,0.0,,,,0.0,,,0.0,,,,,0.0,,,,0.0
COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3cc(C)on3)n2)cc1,CID993322,0.0,0.0,,,0.0,,,,,,,0.0,,,,,
Cc1ccsc1C=C1C(=O)c2ccccc2C1=O,CID720545,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C=C2C(=O)c3ccccc3C2=O)s1,CID900240,,,,,,,,,,,,,,,0.0,,
COc1ccc(CNC(=O)C23CN(Cc4ccccc4)CC2C(c2ccc([N+](=O)[O-])cc2)=NO3)cc1,CID11958603,,,,,,0.0,,,,,,,,,,,
O=C(NCc1ccccc1)C12CN(Cc3ccccc3)CC1C(c1ccc([N+](=O)[O-])cc1)=NO2,CID11958630,,,,,,0.0,,,,,,,,,,,
CC1Cc2ccccc2N1C(=O)CSc1nnc(CNc2ccccc2)o1,CID652858,0.0,,0.0,0.0,0.0,,0.0,,,,0.0,,,,,,
O=C(CSc1nnc(CNc2ccccc2)o1)N1CCc2ccccc21,CID644889,0.0,0.0,,,0.0,,,0.0,,,0.0,,0.0,,,0.0,
CN1CCN(c2oc(COc3ccc(-c4ccccc4)cc3)nc2C#N)CC1,CID664049,,,,,,,,0.0,0.0,0.0,0.0,0.0,,,,,0.0
CCN1CCN(c2oc(COc3ccc(-c4ccccc4)cc3)nc2C#N)CC1,CID664439,0.0,0.0,,0.0,,,,,,,,,0.0,,,,0.0
CCOC(=O)N1CCN(C(=O)CCCn2c(=S)[nH]c3ccccc3c2=O)CC1,CID2953377,,,,,,,,,,,,,,,,,0.0
CCOC(=O)N1CCN(C(=O)CCCn2c(=S)[nH]c3ccc(Br)cc3c2=O)CC1,CID4153901,,,,,,,,,,,0.0,,,,0.0,,
CCN1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)CC1,CID1252775,,0.0,0.0,,0.0,,0.0,,,,,,0.0,,,,0.0
CN1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)CC1,CID2227183,0.0,,,0.0,,,,,,,0.0,,,,,0.0,
Cc1cc(-c2ccccc2)nc2nnnn12,CID745901,,,,,,,,,,0.0,,0.0,,,,,
c1ccc(-c2ccn3nnnc3n2)cc1,CID1210990,,,,,,,,,,,,0.0,,,,,
Cc1ccc(C(=O)NCc2occc2C(=O)O)o1,CID768642,,,,0.0,,,,,,,,,,,,0.0,
Cc1ccoc1C(=O)NCc1occc1C(=O)O,CID587741,,,0.0,,,0.0,,0.0,,0.0,0.0,,,,,0.0,
COc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1,CID3629985,,,,,,0.0,,,,,,,,,0.0,,
CCOc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1,CID9540794,,,,,,0.0,,,,,,,,,,,
O=C(O)C1C2CCC(C2)C1C(=O)NCc1ccco1,CID3243960,,,,,,,0.0,,,,,,,,,,
O=C(NCc1ccco1)C1CC2CCC1C2,CID2836992,,,,,,,,,,0.0,,,,,,,
Cc1ccc(SCC(=O)N(Cc2nc(-c3ccccc3)no2)C(C)C)cc1,CID2219800,0.0,,0.0,,0.0,,,,,0.0,,0.0,0.0,0.0,,0.0,
CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)CSc1ccccc1,CID2226307,,,,,0.0,,,0.0,,,0.0,,0.0,,0.0,0.0,
O=C(CCn1ccc([N+](=O)[O-])n1)NC1CCCCCC1,CID844001,,,,,,,,,,,,,,0.0,,,
Cc1cc([N+](=O)[O-])nn1CCC(=O)NC1CCCCCC1,CID843625,,,,,,,,,,,,,,0.0,0.0,,
O=c1nc(SCc2ccccc2Cl)nc2n(-c3ccccc3)[nH]cc1-2,CID2152933,0.0,0.0,0.0,0.0,0.0,,,,,,,,,,,,
O=c1nc(SCc2ccc(F)cc2)nc2n(-c3ccc(F)cc3)[nH]cc1-2,CID2153160,0.0,0.0,,,0.0,,,,,0.0,,,,,,0.0,
Cc1nc2ccc(S(=O)(=O)NCC(=O)N3CCc4ccccc4C3)cc2s1,CID3235747,0.0,,,,0.0,,0.0,,,0.0,,,,,,,
Cc1nc2ccc(S(=O)(=O)N(C)CC(=O)N3CCc4ccccc4C3)cc2s1,CID3245703,0.0,,,0.0,0.0,,,,,,,,,,,,
OC(c1ccccc1)c1nc2ccccc2s1,CID257798,,,,0.0,0.0,0.0,0.0,,,,,,,,,,
COc1ccc(C(O)c2nc3ccccc3s2)cc1,CID647548,,,,0.0,0.0,,0.0,0.0,,,,,,0.0,,,
COc1ccc(NC(=O)C2(c3ccc(NC(=O)c4ccc(OC)c(OC)c4)cc3)CCCC2)cc1,CID2960169,,,,,,0.0,,,,,,,,0.0,,,
COc1ccc(NC(=O)C2(c3ccc(NC(=O)c4ccc(C)cc4)cc3)CCCC2)cc1,CID2215404,,,,,,,,,,,,,,,0.0,,
CCn1nc(C)c(NC(=O)c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)c1C,CID3158191,,,,,,,,,,,,,,0.0,,,
Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4cn(C)nc4C)c3n2)cc1,CID1094032,,,,,,,,,,,,,,,0.0,,
Cc1cccc(-c2noc(CN(C(=O)C(c3ccccc3)c3ccccc3)C(C)C)n2)c1,CID9550761,,,,,,,,,,,,,,0.0,,,
Cc1ccc(-c2noc(CN(C(=O)C(c3ccccc3)c3ccccc3)C(C)C)n2)cc1,CID2213723,,,,,,,,,,,0.0,,,,,,
COCCN1Cc2cccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)c2C1=O,CID3237334,,,,,0.0,,,0.0,,0.0,,,0.0,,,,
CCCN1Cc2cccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)c2C1=O,CID6621910,,,,,,0.0,,,,,,,,,,,
O=C(CCC(=O)NC1CCCCCCC1)Nc1nnc(C(F)(F)F)s1,CID4977394,,,,,,,,,,0.0,,,,,,,
CC(C)c1nnc(NC(=O)CCC(=O)NC2CCCCCCC2)s1,CID1602787,,,,,,,,,,,0.0,,,,,,
NC(=O)c1c(NC(=O)C2CCCO2)sc2c1CCCC2,CID2789559,,,,,,,,,,,,,,,0.0,,
CC(C)(C)C1CCc2c(sc(NC(=O)C3CCCO3)c2C(N)=O)C1,CID2861939,,,,,,0.0,,,,,,,,,,,
CCCCn1cnc2cc(NCc3ccncc3)ccc21,CID1734832,,0.0,,,,,,0.0,,0.0,,,,,,0.0,
CCn1cnc2cc(NCc3ccncc3)ccc21,CID866291,,,,,,,,0.0,,,,0.0,,,,,
Cc1cc2c(=O)n(Cc3ccco3)c(SCC(=O)N3CCCc4ccccc43)nc2s1,CID2975228,,,0.0,0.0,,,,,,,,,,,,,
CCc1cc2c(=O)n(Cc3ccco3)c(SCC(=O)N3CCCc4ccccc43)nc2s1,CID2567346,,,,,,,0.0,,,,,0.0,,0.0,,,0.0
CCSc1nc2ccccc2n1C(=O)Oc1ccccc1,CID591039,,,,,,,,,,,,,,0.0,,,
CSc1nc2ccccc2n1C(=O)Oc1ccccc1,CID605838,,,,,,,0.0,,,,,0.0,,,,,
Cn1c(=O)c2c(nc(N3CCCCCC3)n2CC(O)COc2ccccc2)n(C)c1=O,CID650339,0.0,0.0,,,,,0.0,,,,0.0,0.0,,,,,
Cn1c(=O)c2c(nc(N3CCCCCC3)n2CC(O)COc2ccc(Cl)cc2)n(C)c1=O,CID659113,0.0,,,,,,,,,,,,,0.0,,,0.0
CC(=O)c1cccc(NC(=O)N2CCCC2C(=O)NC2CCCCC2)c1,CID650333,,,,,,,,,0.0,,,,,,,,0.0
COc1ccccc1NC(=O)N1CCCC1C(=O)NC1CCCCC1,CID652375,0.0,0.0,,,,,,0.0,0.0,,0.0,0.0,,,,,0.0
O=C(Nc1c(C(=O)N2CCCC2)cnn1-c1ccccc1)c1cccc(F)c1,CID1068286,0.0,0.0,0.0,,,,,,,,0.0,,,,,,
Cc1ccccc1C(=O)Nc1c(C(=O)N2CCCC2)cnn1-c1ccccc1,CID1067716,0.0,0.0,0.0,,,,0.0,,,0.0,,0.0,0.0,,,,0.0
O=c1c2cnn(-c3ccccc3)c2nc(-c2cccs2)n1-c1cccc(Cl)c1,CID1068281,,,,,,,,,,,,,,,0.0,,
O=c1c2cnn(-c3ccccc3)c2nc(-c2cccs2)n1-c1ccc(Cl)cc1,CID1068279,,,,,,0.0,,,,,,,,,,,
CCOc1cc(-c2c3c(C)[nH]n(-c4ccc(F)cc4)c-3nc(=O)c2C#N)ccc1O,CID666315,,,0.0,,,,,,,,,,,,,,
COc1cc(-c2c3c(C)[nH]n(-c4ccccc4)c-3nc(=O)c2C#N)ccc1O,CID666853,0.0,0.0,0.0,,,,,,,,0.0,0.0,,,,,
Cc1noc(C)c1C(=O)N1CCCC1,CID2798231,,,,,,,,,0.0,,,,,,,,
CCc1noc(C)c1C(=O)N1CCCC1,CID1245980,,,,,,,,,,0.0,,,,,,0.0,
CCCc1cc(N2CCCC(C(=O)NCc3ccc4c(c3)OCO4)C2)n2ncnc2n1,CID653680,0.0,,,,,,,,,0.0,,,,,,,
CCc1c(C)nc2ncnn2c1N1CCCC(C(=O)NCc2ccc3c(c2)OCO3)C1,CID645896,0.0,,,,,,0.0,,,0.0,,,,,,,
O=C(CSc1cccc[n+]1[O-])c1ccc(Cl)s1,CID2342289,,,,,,,,,,,,,,0.0,0.0,,
O=C(CSc1cccc[n+]1[O-])c1cccs1,CID2342471,,,,,,,,,,,,,,0.0,0.0,,
O=C(c1cnn2c(C(F)F)cc(-c3ccccc3)nc12)N1CCSCC1,CID655220,,,,,0.0,,,,,0.0,,,,,0.0,,0.0
COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCSCC4)c3n2)cc1,CID1259788,,0.0,,,0.0,,,,,0.0,,,,,,,0.0
CC(C)(C)c1nc(SCC(=O)NCc2ccco2)c2ccccc2n1,CID654174,0.0,,,,0.0,0.0,0.0,0.0,,,,,0.0,,,,
O=C(CSc1ncnc2ccccc12)NCc1ccco1,CID2396077,0.0,,,0.0,,,0.0,0.0,0.0,0.0,0.0,,0.0,,,0.0,0.0
Cc1cc(C)cc(NC(=O)NC2CCN(CC(=O)Nc3c(C)cc(C)cc3C)CC2)c1,CID3220766,,,,,,,,,0.0,,0.0,,,,,,
Cc1ccccc1NC(=O)CN1CCC(NC(=O)Nc2ccccc2)CC1,CID649315,0.0,,0.0,,,,,,0.0,0.0,,,,,,,0.0
CCOC(=O)C1CCCCN1C(=O)CCc1c(C)nc2ncnn2c1C,CID3236608,,,,,,0.0,,,,,,0.0,,,,,0.0
Cc1nc2ncnn2c(C)c1CCC(=O)N1CC(C)CC(C)C1,CID9551403,,,,,,,,,,,0.0,,,,,,
CCN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cc(=O)oc2cc(C)c(C)cc12,CID2572806,,,,,,,,0.0,,,,,,,,,
CCN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cc(=O)oc2c(C)c(C)ccc12,CID2571511,,,0.0,,,,,,,,,0.0,,,,,
Cn1cc(-c2nc3ccccc3[nH]2)c2ccccc21,CID874111,,,,,,0.0,,,,0.0,,0.0,,,,,
Cc1[nH]c2ccccc2c1-c1nc2ccccc2[nH]1,CID778447,,,0.0,,,0.0,0.0,0.0,,,,,,,,,
COc1ccc(C2SCC(=O)N=C3C2=C(C)NN3c2ccccc2)cc1,CID5920350,,,,,,,,,,0.0,,,,,,,
COc1ccc(C2SCC(=O)N=C3C2=C(C)NN3c2ccccc2)cc1OC,CID5938363,,,,,,0.0,,,,,,,,,,,
COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCN4CCOCC4)C3c3cccs3)oc12,CID664760,,,,,0.0,,,0.0,,,0.0,,0.0,,,,0.0
O=C(C1=C(O)C(=O)N(CCN2CCOCC2)C1c1cccs1)c1cc2ccccc2o1,CID664584,,,,,,,,,0.0,,,,0.0,,,,0.0
O=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)NCc1ccco1,CID3243683,,,,,,,0.0,,,,,,,,,,
Cc1ccc(-n2ncc3c(=O)n(CC(=O)NCc4ccco4)cnc32)cc1,CID646968,,0.0,,,,,,0.0,,,,,,,,0.0,0.0
CCC(C)NC(=O)C1c2cc(OC)c(OC)cc2C(=O)N(C)C1c1cccs1,CID11957264,,,,,,,,,,,,0.0,,,,,
Cc1ccsc1C1C(C(=O)O)c2ccccc2C(=O)N1C,CID3245099,,,,0.0,,,,,,,,,0.0,,,,
CCn1c(SCC(=O)c2cc(C)n(CC3CCCO3)c2C)nc2ccccc21,CID2999199,0.0,,,,0.0,,,,,,,,0.0,,,0.0,0.0
Cc1cc(C(=O)CSc2nc3ccccc3[nH]2)c(C)n1CC1CCCO1,CID3918052,,,,,,0.0,,,,,,,,,,,
CC1=C/C(=C2/CC(c3cccc([N+](=O)[O-])c3)=Nc3ccccc3N2)C(=O)C=C1,CID16194508,,,,,,,,,,,,,,0.0,,,
CC1=C/C(=C2/CC(c3ccc([N+](=O)[O-])cc3)=Nc3ccccc3N2)C(=O)C=C1,CID5521850,,,,,,,,,,,,,,0.0,,,
CCC(C)C12CN3CCN(CC(C)(C3)C1=O)C2,CID2896605,,,,,,,,,,0.0,,,,,,,
CC(C)=CCC12CN3CCN(CC(C3)C1=O)C2,CID551685,,,,,,,,,,,,,,,,,0.0
CCOc1cccc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c1O,CID6261030,,,,,,,,,,,,,,,0.0,,
CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1O,CID6045577,,,,,,,,,,,,,,0.0,,,
N#CCSc1nc2c(cc1C#N)CCCCCC2,CID658114,,,,0.0,,,,,,0.0,,,,,,,
CCOC(=O)CC(=O)CSc1nc2c(cc1C#N)CCCCCC2,CID658132,,,0.0,0.0,,0.0,,,,,,,,,,,
CC(=O)C1=C(C)N(CC2CC2)C(=O)NC1c1ccc(Br)cc1,CID9548398,,,,,,,,,,,,,,,0.0,,
COC(=O)C1=C(C)N(CC2CC2)C(=O)NC1c1ccc(Br)cc1,CID9548427,,,,,,,,,,,,,,,0.0,,
COc1ccc(OC)c(Nc2nc(N)nc(CSc3nnc(-c4ccncc4)o3)n2)c1,CID1872180,,,,,,,,,,,0.0,,,,,,
Cc1ccc(Nc2nc(N)nc(CSc3nnc(-c4ccncc4)o3)n2)cc1,CID1625604,,0.0,,,0.0,,,,,,,,0.0,,,0.0,
CCOC(=O)C1=C(CC)Nc2ccccc2N=C1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl,CID2078678,,,,,,,,,0.0,,,0.0,,,,,
CCOC(=O)C1=C(C)Nc2ccccc2N=C1NC(=O)c1cccc(S(=O)(=O)N(C)C)c1,CID2998817,,,0.0,,0.0,,,,0.0,,,,,,,,
Cn1c(=O)oc2cc(S(=O)(=O)NCCN3CCN(c4ccccc4)CC3)ccc21,CID9551358,,,,,,,,,,,0.0,,,,,,
Cn1c(=O)oc2cc(S(=O)(=O)NCCN3CCN(c4ccccc4F)CC3)ccc21,CID1946238,0.0,,,,,,,0.0,,,,,,0.0,,,
CC1(C)Cc2nc3oc4c(N(CCO)Cc5ccccc5)ncnc4c3cc2CO1,CID666481,0.0,,,,,,,,,,0.0,,0.0,,,,
CC1(C)Cc2nc3oc4c(NCc5ccccc5)ncnc4c3cc2CO1,CID666744,,0.0,0.0,,,,,0.0,,,,,,0.0,,,
Cn1c(CCN2CCCCC2)nc2cc(NC(=O)Nc3ccccc3)ccc21,CID666482,,,0.0,,,,,0.0,0.0,,0.0,,,,,0.0,
CC1CCN(CCc2nc3cc(NC(=O)Nc4ccccc4)ccc3n2C)CC1,CID666972,,,,,,,0.0,,0.0,,,,0.0,,,,
CCc1c(O)nc(N2CCN(Cc3ccccc3)CC2)[nH]c1=O,CID666485,,0.0,,,,,0.0,,,,0.0,,,,0.0,,
CCCCc1c(O)nc(N2CCN(Cc3ccccc3)CC2)[nH]c1=O,CID666885,0.0,,,,,,,,0.0,,0.0,,,0.0,,0.0,
COc1cc2c(=O)n(Cc3ccco3)c(=O)n(CC(=O)c3ccc(Br)cc3)c2cc1OC,CID3245000,0.0,,,,,,,,,,,,,,,,
COc1cc2c(=O)n(Cc3ccco3)c(=O)n(CC(=O)c3cccc(Br)c3)c2cc1OC,CID3237050,0.0,,,,,,0.0,,0.0,,,,,,,,0.0
CSc1nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2s1,CID2106213,,,0.0,,0.0,0.0,,,,,,,,,,,
Cc1nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2s1,CID2106159,,,,,,,,,,,,,,0.0,,,
C=CCNC(=O)c1ccccc1NC(=O)c1cccc2ccccc12,CID2174448,,,,,,,,,,,,0.0,,,,,
COC(=O)C(C)N(C(=O)c1cccc2ccccc12)c1c(C)cccc1C,CID2841407,,,,,,,,,,,,0.0,,,,,
CCc1nn(CC(=O)NCCCN(CC)Cc2ccccc2)c(=O)c2cc3sccc3n12,CID3241408,,,,0.0,,,,,,,,,,,,,
CCc1nn(CC(=O)NCCCN(Cc2ccccc2)C(C)C)c(=O)c2cc3sccc3n12,CID3239229,0.0,,0.0,,,0.0,,,,,,,0.0,,,,
CC(=O)NC1C2CN3CCN(C2)CC1(Cc1ccccc1)C3,CID2903984,,,0.0,,,,0.0,,,,,,,,,,0.0
Cc1ccc(CC23CN4CCN(CC(C4)C2O)C3)c(C)c1,CID2955468,,,,,,,,,,,,,0.0,,,,0.0
O=C(CSc1ccc(Cl)cc1)Nc1cccc(NC(=O)c2ccco2)c1,CID2294137,,,,,,,,,,,,,,,0.0,,
Cc1ccc(SCC(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1,CID1293548,,,,,,0.0,,,,,,,,,,,
CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(=O)CC21C,CID5745,,,,,,,0.0,,,,,,,,,,
CC12CCC(=O)C=C1CCC1C2C(=O)CC2(C)C1CCC2(O)C(=O)CO,CID222786,,,,,,,,,,,,,,,,,0.0
CC1(C)CC(CCC(=O)Nc2ccccc2Cl)C(=O)O1,CID3246768,,,,,,,,,,,,,,,,0.0,
CC1(C)CC(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)C(=O)O1,CID664559,,,,,,,,0.0,,,,,,,,,
CCOc1cc(-n2cnnn2)c(OCC)cc1NC(=O)c1cnccn1,CID647090,,0.0,0.0,,,,,,,,,,,,,,
Cc1cnc(C(=O)Nc2ccc(-n3cnnn3)cc2)cn1,CID649768,,0.0,,0.0,,,,,,0.0,,,,,,,
Cc1[nH]c2ccccc2c1C1(O)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21,CID666836,0.0,,,,,,,,0.0,0.0,,0.0,,,,,0.0
O=C1N(Cc2ccc3c(c2)OCO3)c2ccccc2C1(O)c1c[nH]c2ccccc12,CID667058,0.0,,0.0,,,0.0,0.0,,0.0,0.0,,,,,,,
Cc1c(C)n(C(=O)CN2CCC(C)CC2)c2ccccc12,CID920008,,,,,,,,,,,,0.0,,,,,
Cc1c(C)n(C(=O)CN2CCC(C(N)=O)CC2)c2ccccc12,CID1257315,0.0,0.0,,0.0,,,,0.0,0.0,,,,,,,0.0,
Cc1ccccc1-n1nnc2c(=O)oc3ccccc3c21,CID3241794,,0.0,,0.0,,,,,,,,,,,,,
Cc1ccc(-n2nnc3c(=O)oc4ccccc4c32)cc1,CID3241020,,,,,,,,,,,,,,,0.0,,
CCCCCn1c(NC(=O)c2ccco2)c(S(=O)(=O)c2ccc(C)cc2)c2nc3ccccc3nc21,CID1905702,,,,,,,,,0.0,,,,,,,,
C=CCn1c(NC(=O)c2ccco2)c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21,CID658779,,,0.0,,,,,,,,,,0.0,,,0.0,0.0
CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1,CID645656,,,0.0,,0.0,,0.0,,,,0.0,,,,,0.0,
O=C(c1ccc(NS(=O)(=O)c2ccccc2)cc1)N1CCCC1,CID967722,0.0,,,,,,,,,0.0,,,0.0,0.0,,,
CCOC(=O)N1CCN(C(=O)Cn2ncc3c2-c2ccccc2OC3)CC1,CID5308791,,,,,,,,0.0,,0.0,,,,,,,
CCN1CCN(C(=O)Cn2ncc3c2-c2ccccc2OC3)CC1,CID5309010,,0.0,,,,,0.0,,,0.0,,,,,,,
Cc1nc2ccc(S(=O)(=O)NC(C(=O)NCc3ccco3)C(C)C)cc2s1,CID5309266,,,,,,,0.0,,,,,,,,,,0.0
Cc1nc2ccc(S(=O)(=O)NCC(=O)N(C)Cc3ccco3)cc2s1,CID3237317,,,,,0.0,,,,,0.0,,,0.0,,,0.0,
COc1ccccc1NC(=O)Cn1c(=O)n2nc(C)nc2c2ccccc21,CID5309264,,,,,,,,,,,0.0,,0.0,,0.0,,
COc1ccc(Cl)cc1NC(=O)Cn1c(=O)n2nc(C)nc2c2ccccc21,CID5308993,0.0,0.0,,0.0,,0.0,,,0.0,,,,,,,,
Cc1cc2c(s1)=NC(=O)CNC=2c1cccs1,CID653347,,,,,0.0,,0.0,,,0.0,,,0.0,,0.0,,
CCc1cc2c(s1)=NC(=O)CNC=2c1cccs1,CID649941,,0.0,,,0.0,,0.0,,,0.0,,,,,,,
CCSc1nnc(CNc2ccc(F)cc2)n1CC1CCCO1,CID653345,0.0,,,0.0,0.0,,,,,0.0,,,,,,0.0,
NC(=O)CSc1nnc(CNc2ccc(F)cc2)n1CC1CCCO1,CID653450,0.0,0.0,,0.0,,,,,,,0.0,,,,,0.0,
O=C(CN1CCOCC1)Nc1ccccc1-c1ccccc1,CID653343,,,,,,,0.0,,0.0,,,0.0,0.0,,,,
CC(C(=O)Nc1ccccc1-c1ccccc1)N1CCOCC1,CID3000183,,,,0.0,,,,0.0,0.0,,,,0.0,,0.0,,
Cc1ccccc1-n1c(SCC(=O)NCc2cccs2)nnc1-c1ccncc1,CID1081370,,,0.0,,0.0,,,,,0.0,0.0,0.0,,,,,0.0
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)NCc1cccs1,CID3214434,,,,,,,,,0.0,,0.0,,,,,,
Cc1ccc(N/C=C/C(=O)c2sc(-c3ccccc3)nc2C)cc1,CID5524550,,,,,,0.0,,,,,,,,,,,
COc1ccc(N/C=C/C(=O)c2sc(-c3ccccc3)nc2C)cc1,CID5825353,,,,,,0.0,,,,,,,,,,,
Cc1ccc(N2C(=O)CC(NCc3ccc4c(c3)OCO4)C2=O)cc1Cl,CID2877731,,,,0.0,,0.0,,,,,,,,,,0.0,
CCNC(=S)N(Cc1ccc2c(c1)OCO2)C1CC(=O)N(c2ccc(F)cc2)C1=O,CID2869108,,,,,,,,,,,,,,0.0,,,
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)Cc1ccc(OC)c(OC)c1,CID2998123,,,,0.0,,,,0.0,0.0,0.0,,,0.0,,,,
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)Cc1cccc(OC)c1,CID7409805,,,,,,,,,0.0,,,,,,,,
Cc1[nH]nc(NC=C2C(=O)CC(c3ccco3)CC2=O)c1-c1ccccc1,CID667025,0.0,0.0,0.0,,,0.0,,,,0.0,,0.0,,,,0.0,
Cc1[nH]nc(NC=C2C(=O)CC(c3ccco3)CC2=O)c1-c1ccc(Cl)cc1,CID1971116,,,,,,,,,,0.0,,,,,,,
COc1ccc(C2C3=C(CC(c4ccco4)CC3=O)Nc3ccccc3N2C(C)=O)cc1,CID2882535,,,0.0,0.0,0.0,,,0.0,,,,,0.0,,,,0.0
COc1cc(C2C3=C(CC(c4ccco4)CC3=O)Nc3ccccc3N2C(C)=O)cc(OC)c1OC,CID2927321,,,0.0,,,,0.0,,0.0,,,,,,,,
COc1ccc(N2CCN(C(c3nnnn3CCc3ccccc3)C(C)C)CC2)cc1,CID647343,,,0.0,0.0,,0.0,,,,0.0,,,,,,,
CCC(c1nnnn1CCc1ccccc1)N1CCN(c2ccc(OC)cc2)CC1,CID646404,,,,,,0.0,,,,0.0,0.0,,,,,,
O=C(Nc1ccc(Cl)cc1C(=O)NCc1cccnc1)c1ccco1,CID1041658,0.0,,,0.0,,,,,,,,,,,0.0,,0.0
O=C(Nc1ccccc1C(=O)NCc1cccnc1)c1ccco1,CID644542,,,,,,,,0.0,,,,0.0,,,0.0,,
CCOC(=O)N1CCC(NC(=O)CN2C(=O)C(CC)Oc3ccc(C)cc32)CC1,CID3244260,,,,,,,,0.0,,,,,,,,,
CCOC(=O)N1CCC(NC(=O)CN2C(=O)COc3ccc(C(C)(C)C)cc32)CC1,CID3239629,,,,,,,,,0.0,,,,,,,,
CCCS(=O)(=O)N1CCCC(C(=O)NCCCN2CCCC2=O)C1,CID3244262,,,,,,,,,,,,0.0,0.0,,0.0,,
CCS(=O)(=O)N1CCCC(C(=O)NCCCN2CCCC2=O)C1,CID3237516,,,,,,,0.0,0.0,,,0.0,,,,,,
COc1ccc(N2CCN(CCNC(=O)CCCn3c(=O)[nH]c4cc(Cl)ccc4c3=O)CC2)cc1,CID3244263,,,,,0.0,,,,,,,,,,,,
O=C(CCCn1c(=O)[nH]c2cc(Cl)ccc2c1=O)NCCN1CCN(c2ccccc2)CC1,CID3237124,,,,,0.0,,,,,,,0.0,,,,,
C/C(=N\OC(=O)c1ccc(C)cc1)c1cccs1,CID827673,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(=O)O/N=C(\C)c2cccs2)cc1,CID827688,,,,,,,,,,,,,,0.0,,,
COc1cc(CNc2ccccc2Oc2cc(=O)n(C)c(=O)n2C)cc(OC)c1OC,CID1895638,,,,,,0.0,,,0.0,,,0.0,,,,,
Cn1c(Oc2ccccc2NCc2cc(Br)ccc2O)cc(=O)n(C)c1=O,CID657817,0.0,,,,,,,,0.0,,0.0,0.0,,,,,0.0
CCn1c(N2CCN(C(=S)NC)CC2)nc2ccccc21,CID1462205,,,,,,0.0,,,,,,,,,,,
CCn1c(N2CCN(C(=S)NCC(C)C)CC2)nc2ccccc21,CID1462207,,,,,,,,,,,,,,,0.0,,
C=CCSc1nc(NC)c2sccc2n1,CID3765222,,,,,,0.0,,,,,,,,,,,
C=CCNc1nc(SCC=C)nc2ccsc12,CID3750330,,,,,,0.0,,,,,,,,,,,
c1ccc(CSc2nnc(-c3cccs3)n2Cc2ccco2)cc1,CID662604,0.0,,,,0.0,,,,0.0,0.0,,,0.0,0.0,,,
Cc1cccc(CSc2nnc(-c3cccs3)n2Cc2ccco2)c1,CID1962440,,,,,,,,,,,0.0,,,0.0,,,
Cc1ccc(NC(=S)NCCc2c[nH]c3ccccc23)cc1,CID713459,,,,,,,,,,,,,,0.0,,,
COc1ccc(NC(=S)NCCc2c[nH]c3ccccc23)cc1,CID713457,,,,,,,,,,,,,,0.0,,,
Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)s2)cc1,CID1961132,,,,,,0.0,,,,,,0.0,,,,,
Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)s2)cc1,CID1956111,,,,,,0.0,,,,,,,,,,,
COC(=O)c1ccc(/N=N/Nc2cccc(Br)c2)cc1,CID2828921,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccc(/N=N/Nc2ccccc2)cc1,CID2828923,,,,,,,,,,,,,,,0.0,,
O=S1(=O)CC(NCc2ccccc2)C(Nc2ccccc2)C1,CID2941432,,,0.0,,0.0,,,,,0.0,0.0,,,,,,
O=S1(=O)CC(NCc2ccccc2)C(Nc2ccc(Cl)cc2)C1,CID3245919,0.0,,,,0.0,0.0,,,,0.0,,,,,,0.0,
O=C(CNC(=O)OCc1ccccc1)NCC(=O)N1CCCC1C(=O)OCc1ccccc1,CID297813,,,,,,,,,,,0.0,,,,,,
CC(NC(=O)CNC(=O)OCc1ccccc1)C(=O)N1CC(O)CC1C(=O)OCc1ccccc1,CID3238744,,,0.0,,,,0.0,,,,,,,,,,
Cc1cc2cc(CN(Cc3cccs3)C(c3nnnn3C(C)(C)C)C(C)C)c3nnnn3c2cc1C,CID3216837,,,,,,,,,,,0.0,,,,,,
Cc1ccc2cc(CN(Cc3cccs3)Cc3nnnn3C(C)(C)C)c3nnnn3c2c1,CID649265,,0.0,,,0.0,,,,,,,,,,,,
CC(C)CC(=O)/N=C1\SC2CS(=O)(=O)CC2N1CCc1ccccc1,CID667095,,,0.0,,0.0,0.0,0.0,,,,,,,,,,
COc1ccc(CCN2/C(=N/C(=O)CCC(=O)O)SC3CS(=O)(=O)CC32)cc1OC,CID666566,,,,,0.0,,0.0,,,0.0,,,,,,,
CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)N3c4ccccc4CC3C)o2)cc1,CID654345,,,0.0,,0.0,,,,,,0.0,,,,,0.0,0.0
CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)N3CCc4ccccc43)o2)cc1,CID653473,,,,,0.0,,,,,,0.0,,,,,0.0,0.0
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C(\CCC(=O)O)c1nc2ccccc2s1,CID6278152,,,,,,0.0,,,,,0.0,,,,,,
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C(\CC(=O)O)c1nc2ccccc2s1,CID6249835,,,,,,,,,,,0.0,,,,,,
CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(N2CCOCC2)c(Cl)c1,CID2981260,,,0.0,,0.0,,,,,,0.0,0.0,,,,,0.0
Cn1c(SCC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)nnc1C(O)c1ccccc1,CID2961371,0.0,,,,0.0,,,,0.0,,,,,,,,0.0
C/C(=N\NC(=O)Cc1cccn1C)c1cccs1,CID697266,,,,,,,,,,,,,,,0.0,,
Cn1cccc1CC(=O)N/N=C/c1cccs1,CID2143875,,,,,,,,,,,,,,,0.0,,
CCN(CC)C(=O)c1sc(NC(=O)C(Sc2ccccc2)c2ccccc2)c(C(=O)OC(C)C)c1C,CID3318459,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1c(NC(=O)C(Sc2ccccc2)c2ccccc2)sc(C(N)=O)c1C,CID2933309,,,,,,0.0,,,,,,,,,,,
CCc1nnc(NC(=O)CSc2nnc(-c3ccccc3OC)n2-c2ccccc2)s1,CID648001,,,,,,,0.0,,,,,0.0,,,,,
CCc1nnc(NC(=O)CSc2nnc(-c3ccccc3OC)n2-c2ccc(C)cc2)s1,CID1156487,,,,,,,,,,,,0.0,,,,,
O=C(Nc1ccccn1)c1ccc(NC(=O)c2ccco2)cc1,CID648003,,0.0,,0.0,,,,,,,,,0.0,,,,
Cc1ccnc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)c1,CID1262407,0.0,,,,,,,0.0,,,,,,,0.0,,
O=C(NCCCNC(=O)c1cccs1)c1cccs1,CID1788010,,,,,0.0,,,,,0.0,0.0,,0.0,,,,
CC(C)(CNC(=O)c1cccs1)CNC(=O)c1cccs1,CID2171062,,,0.0,,0.0,0.0,0.0,,,,,,,0.0,,,0.0
O=C(C1CCCO1)N(c1cccc(Cl)c1)C1C=CS(=O)(=O)C1,CID3236964,,,,,,,0.0,,,,,,,,,,
Cc1ccc(N(C(=O)C2CCCO2)C2C=CS(=O)(=O)C2)cc1Cl,CID3237568,,,,0.0,,,,,0.0,0.0,0.0,,0.0,,,0.0,
FC(F)(F)c1ccc(-n2ccnc2)nc1,CID737967,,,,,,,,,,,,,,,,,0.0
CCC(C)NC(=O)c1cn(-c2cccc(C)n2)cn1,CID4265072,,,,,,0.0,,,,,,,,,,,
CCc1nn(-c2ccccc2)c(=S)c2ccccc12,CID895328,,,,,,,,,,,,,,0.0,,,
Cc1nn(-c2ccccc2)c(=S)c2ccccc12,CID800640,,,,,,,,,,,,,,,0.0,,
O=C(NCCc1ccncc1)c1ccccc1F,CID935612,,,,0.0,,,,0.0,,,0.0,,,,,,
Cc1ccc(C(=O)NCCc2ccncc2)cc1,CID1242102,,,,,,,,,,,0.0,,,,,,
O=C(Nc1nncs1)C1(c2ccccc2)CCCC1,CID976753,,,,,0.0,,0.0,0.0,,,,,,,,,0.0
COc1ccc(C2(C(=O)Nc3nncs3)CCCC2)cc1,CID935214,,,,,,,,,,,0.0,,,0.0,,,
O=C(Cn1cccc1)NCc1cccs1,CID3240250,,0.0,,,0.0,0.0,,,,,,,,,,,
CC(C(=O)NCc1cccs1)n1cccc1,CID3239942,,0.0,0.0,,0.0,0.0,,0.0,,,,,,,,,0.0
Cc1c(C(=O)Nc2ccc(-n3cnnn3)cc2)oc2ccccc12,CID648856,,0.0,0.0,,,,,,,,,,0.0,,,,
Cc1cc(NC(=O)c2oc3ccccc3c2C)ccc1-n1cnnn1,CID647922,,0.0,0.0,0.0,,,,,,,,,0.0,,,,
CC(C)C(c1nnnn1C1CCCCC1)N1CCN(c2ncccn2)CC1,CID648855,,,,,0.0,,,,,0.0,,,,,,,
CC(C)CC(c1nnnn1C1CCCCC1)N1CCN(c2ncccn2)CC1,CID654502,,,,,,,,,,,,,0.0,,,,
CC(OC(=O)c1cccs1)C(=O)NCc1ccccc1,CID650878,,,0.0,,0.0,,0.0,0.0,0.0,,0.0,,,,,,
O=C(COC(=O)c1cccs1)NCc1ccccc1,CID2355161,,,,,0.0,,,,,,,,,,,,
Nc1nc(SCc2nc3scc(-c4cccs4)c3c(=O)[nH]2)n[nH]1,CID2112934,,,,,0.0,,,,,,,,,,,,
CC(Sc1n[nH]c(N)n1)c1nc2scc(-c3cccs3)c2c(=O)[nH]1,CID4879318,,,,,,,,,,0.0,,,,,,,
CN1C(=O)CC(Sc2ncccc2C(=O)O)C1=O,CID3153598,,,,,,,,,,,0.0,,,,,,
CCCCN1C(=O)CC(Sc2ncccc2C(=O)O)C1=O,CID2937327,,,,,,,,,,,,,,,0.0,,
CC(Oc1ccccc1)C(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2,CID3152644,,,,,,,,,,,0.0,0.0,,,,,
CCC(Oc1ccccc1)C(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2,CID3155114,,,,,,,,,0.0,,,0.0,,,,,
CC(=O)N(C(C)=O)C1=C(C#N)C2(CCCCC2)Cc2ccccc21,CID824698,,,,,,0.0,,,,,,,,,,,
CCCC(=O)NC1=C(C#N)C2(CCCCC2)Cc2ccccc21,CID910634,,,,,,,,,0.0,,,,,,,,
O=C(CC(O)(c1ccccc1)C(F)(F)F)c1cccs1,CID2832877,,,,,,,,,,,,0.0,,,,,
O=C(CC(O)(c1ccccc1)C(F)(F)C(F)F)c1cccs1,CID2832878,,,,,,,,,,,,,,,,,0.0
CCc1c(C)nc(SCC(=O)c2cccs2)c(C#N)c1C,CID2306393,,,,,,0.0,,,,,,,,,,,
Cc1cc(C)c(C#N)c(SCC(=O)c2cccs2)n1,CID685878,,,0.0,0.0,0.0,,0.0,,,0.0,,,,0.0,,,
CCN(C(=O)CCN1C(=O)c2ccccc2C1=O)C1CCCCC1,CID3245293,0.0,,,,,,,,,,,,,,,,
CN(C(=O)CCN1C(=O)c2ccccc2C1=O)C1CCCCC1,CID692209,,,,,,,,,,,0.0,0.0,,,,,
COC(=O)c1ccc2c(=O)n(CCCCCC(=O)NCc3ccc4c(c3)OCO4)c(=O)[nH]c2c1,CID4091977,,,,,,0.0,,,,,,,,,,,
CCOc1cc2[nH]c(=O)n(CCCCCC(=O)NCc3ccc4c(c3)OCO4)c(=O)c2cc1OCC,CID3238934,,,0.0,,,,,,0.0,,,,,,,,0.0
Nc1cccc2c1C(=O)N(C(=O)c1ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c1)C2=O,CID2398767,,,,,,,,,,,,0.0,,,,,
Nc1cccc2c1C(=O)N(C(=O)c1cccc(S(=O)(=O)N3CCCCCC3)c1)C2=O,CID2398771,,,,,,,,,,,,,,0.0,0.0,,
C/C(CCc1ccc2c(c1)OCO2)=N\NC1=NC(=O)CC(C(=O)Nc2ccccc2)S1,CID3141122,,,,,,0.0,,,,,,,,,,,
C/C(CCc1ccc2c(c1)OCO2)=N\NC1=NC(=O)CC(C(=O)Nc2ccc(Cl)cc2)S1,CID3141123,,,,,,,,,,,,0.0,,,,,
CCOC(=O)C1=C(CN2CCOCC2)NC(=O)NC1c1cccc([N+](=O)[O-])c1,CID2982726,,,,,,,,,,,,,,,0.0,,
CCOC(=O)C1=C(CN2CCOCC2)NC(=O)NC1c1cc(C)ccc1C,CID2973838,0.0,,,,,,,,,,,,,,,0.0,
CC1(C)Cc2c(sc3ncn4nc(CCC(=O)O)c(=O)nc4c23)CO1,CID661950,,,,,,,,,,,,,,,,,0.0
Cc1nn2c(C)nc3sc4c(c3c2nc1=O)CC(C)(C)OC4,CID947543,,,,,,,,,,,0.0,,,,,,
O=C(CCn1nnc2ccccc21)Nc1nnc(COc2ccccc2F)s1,CID1150794,,,,,,,,,,,0.0,,,,0.0,,
O=C(CCn1nnc2ccccc21)Nc1nnc(COc2ccc(F)cc2)s1,CID654477,0.0,,,0.0,0.0,0.0,,,,,0.0,,0.0,,,,
COc1ccc(N(C(=O)c2ccccc2)S(=O)(=O)c2cccs2)cc1,CID993465,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)N(c2ccc(OC)cc2)S(=O)(=O)c2cccs2)cc1,CID993467,,,,,,,,,,,,,,0.0,,,
CCOc1ccccc1N(C)C(=O)c1nn(-c2ccc(OC)cc2OC)c(=O)c2ccccc12,CID4100018,,,,,,,,,,,,,,,0.0,,
COc1ccc(-n2nc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)c3ccccc3c2=O)c(OC)c1,CID3344532,,,,,,,,,,,,,,0.0,,,
O=C(NCC1CCCO1)c1csc2c1CCCC2,CID3240379,,,,,0.0,,,,,,,,,,,,
CC1CCc2c(C(=O)NCC3CCCO3)csc2C1,CID3245882,,,,,0.0,,,,,,,,0.0,,,,
NS(=O)(=O)c1ccc(NC(=O)COC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1,CID3951466,,,,,,,,,,,,,,,0.0,,
O=C(COC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccccc1,CID5152125,,,,,,,,,,,,0.0,,,,,
Cc1cc(NC(=O)c2ccc3c(c2)OCO3)no1,CID717564,,,,0.0,,,,0.0,,,,,0.0,,,0.0,
O=C(Nc1ccon1)c1ccc2c(c1)OCO2,CID1246565,,,,0.0,,,,,,0.0,,,,,,,
COc1ccc(N(CC(=O)NCc2ccncc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1,CID1357865,,,,,,,,,,,,,,,0.0,,
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NCc1ccncc1,CID1105022,,,,,,0.0,,,,,,,,,,,
CCN(C(=O)CSc1nnc(-c2ccccc2)n1C)C1CCS(=O)(=O)C1,CID5158096,,,,,,,,,,,,,,0.0,,,
CN(C(=O)CSc1nnc(-c2cccc(F)c2)n1N)C1CCS(=O)(=O)C1,CID4841749,,,,,,,,,,,,,,,0.0,,
COc1cc2c(cc1OC)C(=O)CC(C)S2,CID4165166,,,,,,,,,,,,,,0.0,,,
COc1cc2c(cc1OC)C(=O)CCS2,CID849531,,,,,,,,,,,,,,0.0,,,
CCN(C(=O)c1c(C)cc(=O)oc1C)c1ccc2c(c1)OCO2,CID930850,,,,,,,,,0.0,,,,,,,,
CCN(C(=O)c1coc(=O)c(Br)c1)c1ccc2c(c1)OCO2,CID664041,0.0,,,,,,,,,,,0.0,,,0.0,,0.0
O=C(COC(=O)c1ccc(Cl)cc1O)NC(=O)C1CCCCC1,CID2404728,,,,,,,,,,,,,,0.0,,,
COc1cc(C(=O)OCC(=O)NC(=O)C2CCCCC2)ccc1OC(F)F,CID2485092,,,,,,,,,,,,,,,0.0,,
O=C(O)C1CCN(c2nc(-c3ccccc3)nc3c2oc2ccccc23)CC1,CID664495,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,,,0.0,,,,,
NC(=O)C1CCN(c2nc(-c3ccccc3)nc3c2oc2ccccc23)CC1,CID664012,0.0,,,,,,0.0,,,,,0.0,0.0,,,,0.0
COCCn1c(SCC(=O)Nc2cc(C)on2)nnc1-c1ccco1,CID3181348,,,,,,,,,,,0.0,,,,,,
CCCCn1c(SCC(=O)Nc2cc(C)on2)nnc1-c1ccco1,CID3181347,,,,,,,,,,,0.0,,,,,,
CCOCCCNC(=O)C(NC(=O)c1ccccn1)c1ccc(C)cc1,CID3238001,,,,,0.0,,,,,,,0.0,,,,,
O=C(NCc1ccc(Cl)cc1Cl)c1ccccn1,CID2707269,0.0,,0.0,,,,,,,,,,,,,,
Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc(-c2cn3cccnc3n2)c1,CID3238000,,,0.0,,,,,,,,,,0.0,,0.0,,0.0
Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1c(-c2ccccc2Cl)noc1C,CID3238630,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C)c(OCC(=O)N/N=C/c2ccsc2)c1,CID841129,,,,,,,,,,,,,,0.0,,,
COc1ccc(OCC(=O)N/N=C/c2ccsc2)cc1,CID2390494,,,,,,,,,,,,,,0.0,,,
Cn1c(CN2CCCC2)nc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21,CID1252141,,,,,,,0.0,,,,,,0.0,,,,0.0
Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3c(c2)nc(CN2CCCC2)n3C)c1,CID9549996,,,,,,,,,0.0,0.0,,0.0,,,,,
COc1ccc(CCNC(=O)c2nnn(CC(=O)Nc3ccccc3C)c2N)cc1OC,CID3242009,,,,,,,,,,,,,,,0.0,,
COc1ccc(CCNC(=O)c2nnn(CC(=O)Nc3ccccc3)c2N)cc1OC,CID3240122,0.0,,,,,,,,,,,,,,,,
CC1(C)Cc2cccc(OCC(=O)Nc3cccnc3)c2O1,CID2525240,,,,,0.0,0.0,,,,0.0,0.0,,0.0,,,,
CC1(C)Cc2cccc(OCC(=O)Nc3cccnc3Cl)c2O1,CID2469835,,,,,,0.0,,,,0.0,,,,,,,
O=C(CN1C(=O)CCC1=O)Nc1nc(-c2cccs2)cs1,CID2337188,,,,0.0,,,,,0.0,0.0,0.0,,,0.0,,,
O=C(CN1C(=O)CCC1=O)Nc1nc(-c2ccc(Cl)s2)cs1,CID2330071,,0.0,,0.0,,,,,,,,,,,,,
COC(=O)c1ccc(=O)n(Cc2ccc3c(c2)OCO3)c1,CID660148,,,,,,,,0.0,,0.0,,,,,,0.0,
COC(=O)c1cc(Br)c(=O)n(Cc2ccc3c(c2)OCO3)c1,CID660128,0.0,,,,,,0.0,,,,0.0,,,,0.0,,0.0
O=C(Nc1cccc2ccccc12)N1CCN(c2ccccc2)CC1,CID258849,0.0,,,,,,,0.0,,,,0.0,0.0,,0.0,,
O=C(Nc1cccc2ccccc12)N1CCN(c2ccc(F)cc2)CC1,CID803493,,,,,,,0.0,0.0,,,,0.0,0.0,,,,
CC1Cc2cc(/C(O)=C3\C(=O)C(=O)N(CCN4CCOCC4)C3c3ccccc3F)ccc2O1,CID5389948,,,,,,,,0.0,,,,,0.0,,,,
COc1ccc(C2/C(=C(/O)c3ccc4c(c3)CC(C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc1,CID5389878,,,,,,,,,,,,,0.0,,,,
CCOC(=O)c1nn(-c2ccccc2)c2nc(Nc3ccccc3)cc(=O)n12,CID1236178,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1nn(-c2ccc(C)cc2)c2nc(Nc3ccccc3)cc(=O)n12,CID1236179,,,,,,,,,,,,0.0,,,,,
COC(=O)c1ccc(CSCC(=O)Nc2cc(OC)cc(OC)c2)o1,CID2998547,,,0.0,,,0.0,,0.0,,,,,,,,0.0,
CCOC(=O)c1ccc(NC(=O)CSCc2ccco2)cc1,CID678688,,,,0.0,0.0,,0.0,0.0,,,,,0.0,,,,
Cn1nnnc1SCC(=O)Nc1ccccc1C(=O)NCc1ccccc1,CID2294818,,,0.0,,0.0,,,0.0,,0.0,0.0,,,,,,
Cc1ccc(CNC(=O)c2ccccc2NC(=O)CSc2nnnn2C)cc1,CID2106059,,,,0.0,0.0,0.0,,,,,,,,,,0.0,
O=C(C1CCN(S(=O)(=O)c2cccnc2)CC1)N1CCCCC1,CID9551060,,,,,,0.0,,,,,,,,,,,
CC1CCN(C(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)CC1,CID9551062,,,,,,,,,,,,0.0,,,,,
O=C(CN1CC(c2ccccc2)CC1=O)OCc1cccc(Br)c1,CID2952430,,,,,,,,,0.0,,0.0,0.0,,,,,
O=C(CN1CC(c2ccccc2)CC1=O)OCc1ccccc1F,CID2943317,0.0,,0.0,,,,,0.0,,,,,,,,,
COc1cccc(OC)c1C(=O)NCCN1CCN(C(=O)c2c(OC)cccc2OC)CC1,CID2931693,,,,0.0,,,,,,,,,,,,,
COc1ccccc1C(=O)NCCN1CCN(C(=O)c2ccccc2OC)CC1,CID3246745,,,,,,,,,,,,,0.0,,,,
CCc1nnc(NC(=O)CSc2nnc(-c3cccnc3)n2CC)s1,CID3140151,,,,,,,,,,,0.0,0.0,,,,,
CCc1nnc(NC(=O)CSc2nnc(-c3cccnc3)n2C)s1,CID3138836,,,,,,,,,,,,,,0.0,,,
Cn1c(Cc2ccccc2)nnc1SCC(=O)c1cccs1,CID2472504,,,,,,0.0,,,,0.0,0.0,,,0.0,0.0,,
Cn1c(Cc2ccccc2)nnc1SCC(=O)c1ccc(Br)s1,CID2571333,,,,,,,,,0.0,,0.0,,,,,0.0,
Cc1ccn2c(Nc3ccccc3C)c(-c3ccccn3)nc2c1,CID7066857,,,,,,,,,,,,,,,0.0,,
Cc1ccc(Nc2c(-c3ccccn3)nc3cc(C)ccn23)cc1,CID6952211,,,,,,,,,,,,,,,0.0,,
COCCNC(=S)N(CCc1c(C)[nH]c2ccc(Cl)cc12)Cc1cccs1,CID2158048,,,,,,,,,,,,,,0.0,,,
CNC(=S)N(CCc1c(C)[nH]c2ccc(Cl)cc12)Cc1cccs1,CID2158045,,,,,,,,,,,,,,0.0,,,
O=C(Nc1ccccc1N1CCCC1)c1ccc2c(c1)OCO2,CID959482,,,,0.0,,,,,,,,0.0,,,,,
O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc2c(c1)OCO2,CID1296199,,,,,,,0.0,,,,,,,,,,0.0
Cc1cc(C)nc(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)n1,CID2930909,,,0.0,,,,0.0,0.0,,,,,,,,,
Cc1cc(C)nc(NC(=O)CN2C(=O)c3ccccc3C2=O)n1,CID750459,,0.0,0.0,,,0.0,,0.0,,,0.0,,,,,,
O=C(Cc1ccccc1)NC1CCN(S(=O)(=O)c2ccc(C(=O)O)cc2)CC1,CID1445148,,,,,,,,,,,0.0,,,,,,
O=C(Cc1ccccc1)NC1CCN(S(=O)(=O)c2cccc(F)c2)CC1,CID646527,,,,,,,0.0,0.0,,,0.0,,,,,,0.0
CC1(C)CC(=O)c2cc3c(N)c(C(=O)NCc4ccccc4)sc3nc2C1,CID1391391,,,,,,,,,,,0.0,,,,,,
Nc1c(C(=O)NCc2ccccc2)sc2nc3c(cc12)C(=O)CCC3,CID1419418,,,,,,,,,,0.0,,,,,,,
Cc1nc2ccccc2n1CC(=O)NCCN1CCCC1,CID848725,,,0.0,0.0,,,0.0,0.0,,,,0.0,0.0,0.0,,,
O=C(Cn1c(C(F)(F)F)nc2ccccc21)NCCN1CCCC1,CID972301,0.0,0.0,,,0.0,,,,0.0,,,,,,,,
COc1cccc(SCC2(O)CCN(C(=O)c3ccc(Cl)cc3)CC2)c1,CID1489030,,,,,,,,,,,,,,,0.0,,
O=C(c1ccc(Cl)cc1)N1CCC(O)(CSc2ccccc2)CC1,CID1489027,,,,,,,,,,,,,,,0.0,,
CC1CCN(C(=O)c2scc3c2OCCO3)CC1,CID709430,,,,,,,,,,,,,,,,0.0,
O=C(O)C1CCN(C(=O)c2scc3c2OCCO3)CC1,CID711845,,,,,,,,,0.0,,,0.0,,,,0.0,
COc1ccc(Cc2nc(C(=O)NCc3ccccc3OC)cs2)cc1,CID1472640,,,,,,,,,,,,0.0,,,,,
COc1ccccc1CNC(=O)c1csc(Cc2ccc(Cl)cc2)n1,CID1472629,,,,,,0.0,,,,,,,,,0.0,,
CC(C)OC(=O)c1ccc(Cn2nnc3ccccc3c2=O)cc1,CID1248550,,,,,,,,,0.0,,,,,,,,
COC(=O)c1cccc(Cn2nnc3ccccc3c2=O)c1,CID1266769,,,,,,,,,0.0,0.0,,,0.0,0.0,0.0,,
CC1CCN(c2nc3c(cc2C#N)COC(C)(C)C3)CC1,CID800197,,,,,,,,,,,,,,,0.0,,
CCCC1Cc2nc(N3CCCCC3)c(C#N)cc2CO1,CID2959486,,0.0,0.0,,,,0.0,,,,,,,,,,
CCOc1nc(N2CCCCC2)nc(-n2cc(-c3ccccc3)nn2)n1,CID1260746,,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1c(-c2ccccc2)nnn1-c1nc(OCC)nc(N2CCCCC2)n1,CID1205156,,,,,,,,,,0.0,,,0.0,0.0,,,
O=C(O)C1CC(=O)N(Cc2cccs2)C1,CID614397,,,0.0,0.0,,,,,0.0,,,,,,,,
CN(C)C(=O)C1CCC(=O)N1Cc1cccs1,CID3811771,,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2nnc(SCC(=O)c3ccco3)n2-c2ccccc2)cc1,CID2344488,0.0,,0.0,,0.0,0.0,,,,,,,,,,,
Cc1ccc(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)o1,CID1267747,0.0,,,,0.0,,0.0,,,,,,,,0.0,0.0,
Cc1ccc(NC(=O)O/N=C2\CCCCC2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1,CID3635550,,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccccc1)O/N=C1\CCCCC1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CID3635547,,,,,,,,,,,,,,,0.0,,
Cn1nnnc1SCC(=O)N(C1CCCCC1)C1CCCCC1,CID650164,0.0,0.0,0.0,,0.0,,0.0,,,,0.0,,,,,0.0,
CCn1nnnc1SCC(=O)N(C1CCCCC1)C1CCCCC1,CID645796,0.0,0.0,,,0.0,0.0,,,,,0.0,,,,,0.0,
CCOCCCN1C(=O)CN(C2CCCCCC2)C(=O)C1c1ccc(OC)cc1,CID3235627,,,0.0,,0.0,0.0,,,0.0,,,,,,,,
CC(C)N1C(=O)CN(C2CCCCCC2)C(=O)C1c1ccccc1F,CID3244804,,,,,,,,,,,0.0,,,0.0,,,
c1cncc(-c2nnc3n2N=C(c2cccs2)CS3)c1,CID3242602,0.0,0.0,,,0.0,,,,,,,0.0,0.0,,,,0.0
Clc1ccc(C2=Nn3c(nnc3-c3cccnc3)SC2)s1,CID3241374,,,,,,,,,0.0,,,,0.0,,,,
N#Cc1cnc(Sc2ccccc2)nc1,CID1478410,,,,,,,,,,,,,,,0.0,,
Cc1ccnc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1,CID325448,,,,,,,,,,,,0.0,,,,,
O=C(CSc1nccc(=O)[nH]1)N1CCCc2ccccc21,CID2141528,,,,0.0,,,,0.0,,0.0,,,,0.0,,0.0,
O=C(CSc1nc(O)cc(=O)[nH]1)N1CCCc2ccccc21,CID649864,,,,,0.0,,0.0,0.0,0.0,,,0.0,,,,,
N#Cc1cc(Oc2ccccc2)c(-n2nnc3ccccc32)cc1C#N,CID902694,,,,,,,,,,,,,,,0.0,,
COc1ccccc1Oc1cc(C#N)c(C#N)cc1-n1nnc2ccccc21,CID666341,,0.0,,,,0.0,,,,,,,,,,,0.0
COc1ccc(NC(=O)c2cnc(C)cn2)c2ncccc12,CID646006,,0.0,0.0,0.0,,,0.0,,,,,,0.0,,,,
Cc1cnc(C(=O)Nc2cccc3cccnc23)cn1,CID647549,,,,,,,,0.0,,,,,,,,,
Cc1ccc(OCC(O)Cn2c(NCCc3ccccc3)nc3c2c(=O)[nH]c(=O)n3C)cc1,CID665830,,,0.0,0.0,,,,,,,,,,,,,
Cn1c(=O)[nH]c(=O)c2c1nc(NCCc1ccccc1)n2CC(O)COc1ccccc1,CID659305,,,,,,,,,,,,,,,,,0.0
CCn1cc(Br)c(C(=O)N2CCN(c3ccccc3)CC2)n1,CID1301791,,,,,,,0.0,,0.0,,,,,,0.0,,0.0
Cn1cc(Br)c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)n1,CID1022890,,,,,,,,,0.0,,,,,,0.0,,
Cc1ccc(C2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCN2CCOCC2)o1,CID664130,,,,,0.0,,,,,,,,,,,,0.0
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)C2c2ccco2)s1,CID665775,,,,0.0,,,,,,,,,,,,,0.0
Cc1nc(N2CCOCC2)c2oc3ccccc3c2n1,CID656347,,,0.0,,,,,,,,,,0.0,,0.0,,
Brc1ccc2oc3c(N4CCOCC4)ncnc3c2c1,CID664050,0.0,,,,,,0.0,,0.0,,,,,,0.0,,0.0
O=c1c2ccccc2nc2n1CCc1c-2[nH]c2ccccc12,CID65752,,,,,,,,0.0,,,,,,,,,
COc1ccc2[nH]c3c(c2c1)CCn1c-3nc2ccccc2c1=O,CID378227,,,,,,,,,,,,,,,0.0,,
COc1ccc(-c2[nH]nc(-c3ccccc3)c2-c2nc3ccccc3[nH]2)cc1,CID2303842,,,,,,0.0,,,0.0,,,,,,,,
c1ccc(-c2n[nH]c(-c3ccccc3)c2-c2nc3ccccc3[nH]2)cc1,CID821749,,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccc2c(c1)CCC2)c1ccc(Br)o1,CID738775,,,,,,,,,,,,0.0,,,0.0,,
Cc1ccc(C(=O)Nc2ccc3c(c2)CCC3)o1,CID1245715,,,,0.0,,,,,0.0,0.0,,,,,,0.0,
Cc1nn(-c2ccccc2)c2c1C(c1cccs1)C(C#N)=C(N)O2,CID3478042,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)C3c2cccs2)cc1,CID650693,,,,,,,,,,,,,,,,0.0,
COc1ccccc1/C=C/C1=N/C(=C\N(C)C)C(=O)O1,CID1902759,,,,,,,,,,0.0,,0.0,,,,,
COc1ccc(/C=C/C2=N/C(=C\N(C)C)C(=O)O2)cc1,CID1856740,,,,0.0,,0.0,,,,,,0.0,,,,,
Cc1nn(-c2cc(C)c3ccccc3n2)c2c1CCC2,CID648720,,0.0,0.0,,,,,0.0,,,,,,,,,
C=C(C)C1Cc2c(C)nn(-c3cc(C)c4ccccc4n3)c2C1,CID3133621,,,,,,,,,,0.0,0.0,,,,,,
Cc1ccc(CN2C(=O)CCC2C(=O)NCc2ccco2)cc1,CID3239393,,,,0.0,,,,,0.0,,0.0,,,,,,
CN(Cc1ccco1)C(=O)C1CCC(=O)N1Cc1ccc(F)cc1,CID3236121,,0.0,,,,,0.0,,,,,,,,,,
COc1ccc(-c2nnc(SCC(=O)OC3CCCCC3)o2)cc1OC,CID645759,,,0.0,0.0,,,,0.0,,0.0,0.0,0.0,,0.0,,,
COc1cc(-c2nnc(SCC(=O)OC3CCCCC3)o2)cc(OC)c1OC,CID654537,,,0.0,,0.0,,,,,,0.0,,,,,,
O=C(Nc1ccc(O)c(C(=O)O)c1)c1ccc2c(c1)C(=O)N(CC1CCCO1)C2=O,CID2972800,,,,,,,,0.0,,,,,,,,0.0,
COC(=O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(CC2CCCO2)C3=O)c1,CID2925168,,,,,,,,,0.0,,,,,,,,
COc1ccc(OC(=O)c2ccc3nsnc3c2)cc1,CID753016,,,,,,0.0,,,0.0,,,0.0,,0.0,,,
COc1ccccc1OC(=O)c1ccc2nsnc2c1,CID753020,,,,,,,,,0.0,0.0,,,0.0,0.0,,,0.0
Nc1ccc(SCCN2C(=O)c3ccccc3C2=O)cc1,CID662683,,,,0.0,0.0,,0.0,,,,,,,,,,
O=C1c2ccccc2C(=O)N1CCSc1ccccc1,CID934453,,,,,,,,,,,,0.0,,0.0,,,
COc1cc2c3c(c1)/C(=C1/SC(NC(C)=O)=NC1=O)C(=O)N3C(C)(C)C=C2C,CID2033526,,,,,0.0,,0.0,0.0,,,0.0,,,0.0,,0.0,
CCc1cc2c3c(c1)/C(=C1/SC(N)=NC1=O)C(=O)N3C(C)(C)C=C2C,CID1506054,,,,,,,,,,,,0.0,,0.0,,,
COC(=O)C(Cc1cnc(Cl)s1)(C(=O)OC)c1ccc([N+](=O)[O-])cc1,CID1482851,,,,,,,,,0.0,0.0,,,,,,,
COC(=O)C(Cc1cnc(Cl)s1)(C(=O)OC)c1ccccc1[N+](=O)[O-],CID3720136,,,,,,,,,,0.0,,,,,,,
CCN(C(=O)c1cnc(N2CCN(c3ncccn3)CC2)c2ccccc12)c1cccc(Cl)c1,CID3243207,0.0,,,,,,,,,,,,,,0.0,,
CN(C(=O)c1cnc(N2CCN(c3ncccn3)CC2)c2ccccc12)c1ccc(Cl)cc1,CID3241819,,,,,,,,,,,,,,,,0.0,
CC(C)c1nc(N2CCOCC2)c(C#N)c2c1CCC2,CID662061,,,0.0,,,0.0,,0.0,,,,,,,,,
CC(C)Cc1nc(N2CCOCC2)c(C#N)c2c1CCC2,CID661667,,0.0,,,,,,,,,,,,,,,
CC(=O)N1CCCc2cc(S(=O)(=O)NCc3ccc(C)cc3)ccc21,CID3236116,,,,,,,,0.0,,,,,,,,,
CC(=O)N1CCCc2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc21,CID3238596,,,,,,,,0.0,,,,0.0,,,,0.0,
Cc1nn(C)cc1NC(=O)CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1,CID651896,0.0,0.0,,,0.0,,,,,0.0,,,,,,,0.0
Cc1nn(C)c(C)c1NC(=O)CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1,CID654534,0.0,0.0,,,0.0,,,,,,,,,0.0,,,
CC(C)C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1,CID685567,,0.0,,,,,,,,,,,,,,0.0,0.0
CCCC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1,CID742754,0.0,0.0,,,,,0.0,0.0,,0.0,,,0.0,,,0.0,0.0
CC(=O)Nc1nonc1NC(=O)c1ccc(C(C)(C)C)cc1,CID943450,,,,,,,,,,,0.0,,,0.0,,,
Cc1nonc1NC(=O)c1ccccc1Br,CID802603,0.0,,,,,,,,0.0,,0.0,,,,0.0,0.0,0.0
Cc1ccc(/C(N)=N/OC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1,CID9587233,,,,,,,,,,,,,,,0.0,,
N/C(=N\OC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc(Cl)cc1,CID9587194,,,,,,0.0,,,,,,,,,,,
Cc1ncc([N+](=O)[O-])n1CC(=O)NCc1ccccc1,CID807394,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccc(CNC(=O)Cn2c([N+](=O)[O-])cnc2C)cc1,CID753332,,,,,,,,,,,,,,,0.0,,
N/C(=N\OC(=O)Cc1cccs1)c1ccccc1,CID9587237,,,,,,,,,,,,,,0.0,,,
N/C(=N\OC(=O)Cc1cccs1)c1ccc([N+](=O)[O-])cc1,CID2923579,,,,,,,,,,,,,,0.0,,,
N=c1c2c(-c3ccccc3)c(-c3ccccc3)oc2ncn1Cc1ccco1,CID1106410,,,,,,0.0,,,,,,0.0,,0.0,,,
COc1ccc(-c2oc3ncn(Cc4ccco4)c(=N)c3c2-c2ccc(OC)cc2)cc1,CID2900654,,,,,,0.0,,,,,,0.0,,0.0,,,
O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)NCc1ccco1,CID1322134,,,0.0,,,,,,,,,,0.0,,,,
CCC1CCc2c(sc3nc(SCC(=O)NCc4ccco4)n(-c4ccccc4)c(=O)c23)C1,CID2882599,,,,,,,,,,0.0,0.0,,,,,,
CCCCC1S/C(=N\N=C\c2ccc(OC)cc2)N(Cc2ccc(OC)cc2)C1=O,CID3772916,,,,,,0.0,,,,,,,,0.0,,,
CCCC1S/C(=N\N=C\c2ccc(OC)cc2)N(Cc2ccc(OC)cc2)C1=O,CID3730566,,,,,,0.0,,,,,0.0,,,,,,
O=C(Nc1nc2ccccc2n1CCN1CCCC1)c1ccc(Cl)cc1,CID1121183,,0.0,,,,,,,,,,,0.0,,,0.0,0.0
Cc1ccc(C(=O)Nc2nc3ccccc3n2CCN2CCCC2)cc1,CID780684,0.0,0.0,,,,,,0.0,,0.0,,,0.0,,,,0.0
CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCc3nnc(-c4ccc(C)cc4)o3)o2)cc1,CID647628,,,,0.0,,0.0,,,,,,,,,,,
CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCc3nnc(-c4ccccc4)o3)o2)cc1,CID651687,,,,0.0,,0.0,0.0,,,,,,0.0,,,,0.0
O=C(OCC(=O)c1ccccc1Br)c1ccccn1,CID2412682,0.0,,,,,,0.0,,0.0,,0.0,0.0,,,,,0.0
O=C(COC(=O)c1ccccn1)c1ccc(Br)cc1,CID875116,0.0,,,,,,,,0.0,,,,,,0.0,,0.0
Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)COc3ccccc3)CC2)cc1,CID2999011,,,,,,,,,,0.0,0.0,,0.0,0.0,,,
O=C(COc1ccccc1Cl)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1,CID2998729,0.0,,0.0,,,,,,0.0,,,,0.0,,,,
CCOC(=O)C(Cc1ccccc1)c1ccnc2nc(N)nn12,CID5182613,,,,,,,,,,,,,,,0.0,,
CCOC(=O)C(Cc1c(F)cccc1Cl)c1ccnc2nc(N)nn12,CID2767742,,,,,,,,,,,,,,0.0,,,
O=C1OC(c2cccs2)=N/C1=C\c1ccc(-c2ccccc2Cl)o1,CID1353888,,,,,,0.0,,,,,,,,,,,
O=C1OC(c2cccs2)=N/C1=C/c1ccc(-c2cccc(C(=O)O)c2)o1,CID1298924,,,,,,,,,,,,,,0.0,,,
CCn1cc(C(=O)NCc2ccccc2Cl)cn1,CID1225824,,,,,,,,,,,,,,,0.0,,
CC(C)n1cc(C(=O)N(CC(=O)NC(C)(C)C)Cc2ccccc2)cn1,CID3221063,,,,,,,,,,,,0.0,,0.0,,,
C=C1c2cc(OC)ccc2NC(=O)N1CC,CID659324,,,0.0,0.0,,,0.0,,,,,,,,0.0,,
C=C1c2ccc(C)cc2NC(=O)N1CC,CID1912749,,,,,,0.0,,,,,,,,,,,
Cc1ccccc1OCC(=O)Nc1ccc2c(c1)COC2=O,CID650242,,,,,,,,0.0,0.0,0.0,,,0.0,,0.0,,0.0
CCc1ccc(OCC(=O)Nc2ccc3c(c2)COC3=O)cc1,CID713248,,,,,,0.0,,,,0.0,,,,,,,
O=C(O)COCC(=O)Nc1ccc2c(c1)CCC2,CID650247,,,,,,0.0,,0.0,,,,,0.0,,,0.0,0.0
CC(C)(C)NC(=O)NC(=O)COC(=O)COc1ccc2c(c1)CCC2,CID2128446,,,,0.0,,,,0.0,0.0,0.0,,,0.0,,,,
COc1ccc(/C=N/n2c(=S)n(C)c3ccccc32)cc1OC,CID5130332,,,,,,,,,,,0.0,,,,,,
COc1cccc(/C=N/n2c(=S)n(C)c3cc(C)c(C)cc32)c1OC,CID1995503,,,,,,,,,,,0.0,,,,0.0,,
O=C1CN(c2ccc(Br)cc2)C(=O)N1CC(=O)N1CCCc2ccccc21,CID2228525,0.0,,,,,,,,0.0,,0.0,,,,,,0.0
Cc1ccc(N2C(=O)N(CC(=O)N3CCCc4ccccc43)C(=O)C2C)cc1,CID4272393,,,,,,0.0,,,,,,,,,,,
CCCCN1C(=O)c2ccc(C(=O)NC3=NCCS3)cc2C1=O,CID2221608,0.0,0.0,,,0.0,,0.0,,0.0,0.0,0.0,,0.0,0.0,,,
CCCN1C(=O)c2ccc(C(=O)NC3=NCCS3)cc2C1=O,CID2232829,0.0,0.0,,,0.0,,0.0,,0.0,0.0,,0.0,,0.0,,0.0,
Cc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1,CID2899437,,,,,,,,,,,,,,0.0,0.0,,
O=C(c1ccc(Br)cc1)c1cc([N+](=O)[O-])ccc1N1CCCCC1,CID2925984,,,,,,,,,,,,0.0,,,,,
Cc1ccc(C2/C(=C(\O)c3c(C)nc4ccccn34)C(=O)C(=O)N2CCCN(C)C)o1,CID5389794,,,,,,,0.0,,,,,,0.0,,,,
CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2c(C)nc3ccccn23)C1c1ccc(C)o1,CID5389898,,,,0.0,,,,,,,,,,,,,0.0
O=C1/C(=C\c2ccco2)SC(=S)N1c1ccc(O)cc1,CID1226102,,,,,,,,,,,,,,0.0,,,
O=C1/C(=C\c2ccco2)SC(=S)N1c1ccccc1,CID1556070,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC(=O)c2csnn2)c(C)c1,CID1454956,,,,,,,,,,0.0,0.0,,,,,,
CC(C)c1ccc(NC(=O)c2csnn2)cc1,CID645728,,,,,,,,0.0,,,,,0.0,,,,0.0
C/C(CC(=O)Nc1ccc(OCc2ccccc2)cc1)=N\NC(=O)C(=O)Nc1cccc(C)c1,CID3105515,,,,,,,,,,,,,,0.0,,,
C/C(CC(=O)Nc1ccc(OCc2ccccc2)cc1)=N\NC(=O)C(=O)Nc1ccccc1C,CID3105514,,,,,,,,,,,,0.0,,,,,
Cc1ccccc1CCN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=O)c1cnccn1,CID1453739,,,,,,0.0,,,,,,0.0,,,,,
CCOc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)C(=O)c3cnccn3)cc2c1,CID649672,0.0,,,,,,,,0.0,,0.0,0.0,0.0,,,,
Cc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)N2CCC(C)CC2)C1,CID3236937,,,,,,,,0.0,,,,,,,,0.0,
Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCCC(C(=O)N2CCCCC2)C1,CID5307913,,,,,,,,0.0,,,,,,,,,
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)Cc3cccs3)cc2)cc1,CID2431423,,,,,,,,,,,,,,,0.0,,
COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1,CID2571814,,,,,,,,,,,,,,,0.0,,
CCCC1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C1=O,CID4555368,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C2(C)NC(=O)N(CC(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3C)C2=O)cc1,CID4009284,,,,,,,,,,,,,,,0.0,,
Cc1ccc(Cn2ncc3c(N4CCCC4)ncnc32)cc1,CID895441,,0.0,,,,,,,,,,,,,,,
Clc1ccc(Cn2ncc3c(N4CCCC4)ncnc32)cc1,CID929952,0.0,0.0,0.0,,,,,,,,0.0,,,,,,
Cn1ccnc1SCC(=O)Nc1cccc2ccccc12,CID709682,,,,0.0,,,,0.0,,,,0.0,,,0.0,0.0,
CCC(Sc1nccn1C)C(=O)Nc1cccc2ccccc12,CID3132099,,,,,,,,,,,0.0,,0.0,,,0.0,
Cc1ccc(C)n1-c1ccncc1,CID645253,,,0.0,,,0.0,,,,,,0.0,0.0,,0.0,0.0,
Cc1cc(/C=N/O)c(C)n1-c1ccncc1,CID662735,,,,0.0,,,0.0,0.0,,,,0.0,0.0,,0.0,,
Cc1ccc(Cn2ccc(NC(=O)c3nc4ncccn4n3)n2)cc1,CID974414,,0.0,,,0.0,,,,,,,,,,,,
Cc1ccccc1Cn1ccc(NC(=O)c2nc3ncccn3n2)n1,CID821905,,0.0,,,0.0,,,,,,0.0,,,,,,
COc1cccc(NC(=O)CSc2ncnc3c2cnn3Cc2ccccc2)c1,CID2042966,,,,,,,,,,,0.0,,,,,,
COc1ccc(NC(=O)CSc2ncnc3c2cnn3Cc2ccccc2)cc1OC,CID3937211,,,,,,,,,,,0.0,,,,,,
COc1ccc(CC(=O)NC2=CC(=O)/C(=C3/Nc4cc(C)ccc4O3)C=C2)cc1OC,CID5893607,,,,,,,,0.0,,,,,,,,,0.0
Cc1ccc2c(c1)N/C(=C1/C=CC(NC(=O)Cc3ccccc3)=CC1=O)O2,CID5346172,,,,,,0.0,,,,,,,,,,,
COc1cc(S(=O)(=O)N(Cc2ccccn2)Cc2ccco2)ccc1-n1cnnn1,CID1177102,,,,,,,,,0.0,,,,,,,,
Cc1cc(S(=O)(=O)N(Cc2ccccn2)Cc2ccco2)ccc1-n1cnnn1,CID648811,,,,,0.0,,,,,0.0,0.0,,,,,0.0,0.0
CCCC1COC(Cn2cncn2)(c2ccc(C)cc2)O1,CID2849942,,,,,,,0.0,,,0.0,,,,,,,
CCCC1COC(Cn2cncn2)(c2ccc(Cl)cc2Cl)O1,CID43234,,,,,,,,,,,,,,0.0,,,
CCn1c(SCc2ccc(C)cc2)nnc1C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1,CID1477735,,,,,,0.0,,,,,,,,,,,
CCn1c(SCc2ccccc2)nnc1C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1,CID3841727,,,,,,0.0,,,,,,,,,,,
CCOC(=O)C1=C(C)NC(=O)NC1c1c(O)ccc2ccccc12,CID2830432,0.0,,,,0.0,,,,,,,0.0,,,,,0.0
CC1=C(C(=O)OC(C)C)C(c2c(O)ccc3ccccc23)NC(=O)N1,CID2830433,0.0,,,0.0,0.0,,,,0.0,,,,,,,,
O=C(CCSc1nc2cc(Cl)ccc2o1)N1CCOCC1,CID649962,0.0,,,,,,,,,,,,0.0,,,,0.0
O=C(CCSc1nc2ccccc2o1)N1CCOCC1,CID975546,,,0.0,0.0,,,,,,,,0.0,,,,,0.0
Cc1ccccc1N1CCN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)CC1,CID1258283,,,,,,,,,,,0.0,,0.0,,0.0,,
O=c1ccc2cc(S(=O)(=O)N3CCN(c4ccccc4)CC3)ccc2o1,CID1248585,0.0,,0.0,,,,,,0.0,0.0,,,,0.0,,0.0,
Cc1cc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)no1,CID2330578,,,,,,0.0,,,,0.0,0.0,,,0.0,,,
O=C(Nc1ccon1)C1CCN(S(=O)(=O)c2cccs2)CC1,CID2948212,,,,0.0,0.0,,,,,,0.0,,0.0,,,,
CCn1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)c2ccccc21,CID1808893,,,,,,,,,,,,0.0,,,,,
Cc1c(/C=C2\SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)c2ccccc2n1C,CID1229513,,,,,,,,,,,,,,,0.0,,
O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1cnccn1,CID647782,,0.0,,,,,,,,,0.0,,0.0,,0.0,,
O=C(Nc1ccccc1N1CCOCC1)c1cnccn1,CID2555127,,,,,,0.0,,,,,,0.0,,,0.0,,
CCOC(=O)c1[nH]c(C)c(C(=O)NCC2CCCO2)c1C,CID3238995,0.0,,0.0,,,,,,0.0,,,,,0.0,,,0.0
CCOC(=O)c1c(C)c(C(=O)NCC2CCCO2)c(C)n1CC,CID3242654,,,,,0.0,,,0.0,,,,,0.0,,,,0.0
O=C(Cn1cccc1C(=O)c1ccccc1)NCc1ccco1,CID3238997,0.0,,,0.0,,,0.0,0.0,0.0,,,0.0,,,,,
Cc1ccccc1C(=O)c1cccn1CC(=O)NCc1ccco1,CID3239654,0.0,,0.0,0.0,,,,,0.0,,,,0.0,,,,
O=C(O)C1CCCN1S(=O)(=O)c1ccc2ccccc2c1,CID649141,,,,,,,,0.0,0.0,,,,,,,,
COC(=O)C1CCCN1S(=O)(=O)c1ccc2ccccc2c1,CID650864,,,,,,0.0,,,,,,,,,,,
O=c1nc(-c2ccccc2)cc(C(F)(F)F)[nH]1,CID746778,,,,,,,,,0.0,,,,,,,,
Cc1cc(-c2ccccc2)nc(=O)[nH]1,CID233401,,,0.0,0.0,,,,,,,,,,,,0.0,
CCOC(=O)c1c(C)sc2c1N(C(=O)CN(CC)CC)c1cc(Cl)ccc1S2,CID1208355,,,,,,,,,,,0.0,,,,,,
CCOC(=O)c1c(C)sc2c1N(C(=O)CCl)c1cc(Cl)ccc1S2,CID1207780,,,,,,,,,,0.0,,,,,,,
COCCn1c(SCC(=O)c2ccc3c(c2)OCCO3)nnc1-c1ccoc1C,CID652742,,,,,0.0,,,0.0,,0.0,0.0,,,,,,0.0
CCCCn1c(SCC(=O)c2ccc3c(c2)OCCO3)nnc1-c1ccoc1C,CID649065,0.0,,,,0.0,,,,,,,,,,,,0.0
CC(C)OC(=O)c1c(N)n(CCCN2CCOCC2)c2nc3ccccc3nc12,CID1949028,,,,,,,,,0.0,,,,,,,,
N#Cc1c(N)n(CCCN2CCOCC2)c2nc3ccccc3nc12,CID658332,,,0.0,,,,0.0,,,,,0.0,0.0,,,,
Cc1ccc(C2C3CSCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1,CID3239644,,0.0,,0.0,,,0.0,0.0,,,,,,,,,
CC(C)c1ccc(C2C3CSCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1,CID3357402,,,,,,,,,0.0,,,,,,,,
O=C(c1ccco1)N1CCN(C(=O)c2ccc(COc3ccc(F)cc3)o2)CC1,CID3239642,,,,,,0.0,,,,,,,,,,0.0,
O=C(c1ccco1)N1CCN(C(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)CC1,CID2193089,,,,,,,,,,,,0.0,,,,,
O=c1cc(Nc2ccc3c(c2)OCCO3)[nH]c(=O)n1-c1ccc(Cl)cc1,CID5310459,,0.0,0.0,0.0,,,,,,,,,0.0,,,,
O=c1cc(Nc2ccc3c(c2)OCCO3)[nH]c(=O)n1-c1ccc(Br)cc1,CID3244856,,,,,,,0.0,,,,,,,,,,
Cc1ccn2cc(CCNC(=O)c3ccc(Br)o3)nc2c1,CID5310453,,,,,,,,,,,,,,,,,0.0
Cc1cccn2cc(CCNC(=O)c3ccc(Br)o3)nc12,CID5310477,,,,,,,,,,,,0.0,,,,,
O=S(=O)(NCCc1cn2ccccc2n1)c1cccs1,CID5310451,,,,0.0,,,,,,0.0,,,,0.0,,,
CCc1ccc(S(=O)(=O)NCCc2cn3ccccc3n2)s1,CID3245566,0.0,0.0,,,0.0,,,,,,0.0,,,0.0,,,0.0
Cc1cccc(-c2nc(CS(=O)CC(=O)NCC3CCCO3)c(C)o2)c1,CID5308220,0.0,,,,,,,,,,,,,,0.0,,0.0
COc1ccc(-c2nc(CS(=O)CC(=O)NCC3CCCO3)c(C)o2)cc1,CID5307709,,,0.0,0.0,,,,,,,,,,,,,
N#Cc1ccccc1Cn1c(=O)n(Cc2ccc(C(=O)NCc3ccco3)cc2)c(=O)c2sccc21,CID5307504,,,,0.0,,,0.0,,,,,,,,,,
O=C(NCc1ccco1)c1ccc(Cn2c(=O)c3sccc3n(Cc3ccc(F)cc3)c2=O)cc1,CID9550624,,,,,,0.0,,,,,,,,,,,
COc1ccc(-c2nc(CS(=O)CC(=O)NCCC3=CCCCC3)c(C)o2)cc1,CID5307501,,0.0,,,,0.0,,0.0,,,,,,,,0.0,
Cc1ccc(-c2nc(CS(=O)CC(=O)NCCC3=CCCCC3)c(C)o2)cc1,CID6622194,,,,,,0.0,,,,,,,,,,,
O=S(=O)(NCCc1ccccc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1,CID654744,,,,,0.0,0.0,0.0,,0.0,,0.0,,,,,,
Cc1cccc(CCNS(=O)(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)c1,CID1167011,,,,,,,,,,,0.0,,,,,,
Cc1ccccc1NC(=O)c1c(O)n2c3c(cccc3c1=O)CCC2,CID654749,0.0,,,0.0,0.0,,0.0,,0.0,,,,0.0,,,,
COC(=O)c1ccccc1NC(=O)c1c(O)n2c3c(cccc3c1=O)CCC2,CID647956,0.0,,,,,,,,0.0,,,,,,,,
Cc1ccccc1OCCn1cc(/C=C2/SC(=S)N(C)C2=O)c2ccccc21,CID1367630,,,,,,0.0,,,,,,,,,,,
C=CCc1ccccc1OCCn1cc(/C=C2/SC(=S)NC2=O)c2ccccc21,CID1362250,,,,,,0.0,,,,,,,,,,,
O=C(NCCN1CCOCC1)c1noc2c1CCc1ccccc1-2,CID3236780,,0.0,,0.0,,,,,0.0,,,,,,,,
COc1ccc2c(c1)CCc1c(C(=O)NCCN3CCOCC3)noc1-2,CID3242160,,,,,,,,,,,,,1.0,,,,
O=C(Oc1ccccc1-c1nnco1)c1ccccc1,CID2764593,,,,,,,,,,,,,,0.0,0.0,,
Cc1cccc(C(=O)Oc2ccccc2-c2nnco2)c1,CID2764594,,,,,,,,,0.0,,,,,0.0,,,
FC(F)(F)c1cc(-c2ccco2)nc(-n2cnc3ccccc32)n1,CID3241637,0.0,,,,0.0,,,,,,,0.0,,,,,0.0
Cc1nc2ccccc2n1-c1nc(-c2ccco2)cc(C(F)(F)F)n1,CID3240867,0.0,,,,0.0,,,,,,,,,,,,
CCCS(=O)(=O)N1CCCC(C(=O)NCc2cccnc2)C1,CID3241631,,0.0,,0.0,,,,,,,,,,,,,
CCS(=O)(=O)N1CCCC(C(=O)NCc2cccnc2)C1,CID3243027,,,,0.0,,,,,,,,,0.0,,,,
Cc1ccc(NC(=O)CCCN(C)S(=O)(=O)c2ccc(C)cc2)cc1,CID3135461,,,,,,0.0,,,,,,,,,,,
Cc1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2ccccc2C)cc1,CID3135462,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCCN(C)C)C2c2cccnc2)c1C,CID5389840,,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCCN(CC)CC)C2c2cccnc2)c1C,CID5739139,,,0.0,,,,,,,,,,,,,,0.0
Cc1cccc(N2CCN(C(=O)c3ccc(NC(=O)C4CCCO4)cc3)CC2C)c1,CID3236078,,,,,0.0,,,,0.0,,,,,,,,
CC(=O)c1ccc(N2CCN(C(=O)c3ccc(NC(=O)C4CCCO4)cc3)CC2)cc1,CID3237495,,,0.0,,,,,,0.0,,,,,,0.0,,
CC(=O)NC1CC2CCCC(C1)N2,CID651893,,,,0.0,,,0.0,0.0,,,,0.0,,,,,0.0
CCCN1C2CCCC1CC(NC(C)=O)C2,CID654565,,,,0.0,,,0.0,,,0.0,,,0.0,,0.0,0.0,
CCN(C(=O)CSc1ncn[nH]1)c1cccc2ccccc12,CID2360235,0.0,0.0,,0.0,,,0.0,,,0.0,0.0,0.0,,,,0.0,0.0
O=C(CSc1ncn[nH]1)Nc1cccc2ccccc12,CID684400,,0.0,0.0,,,,,,,0.0,,0.0,,,,0.0,0.0
CC12CC(NC(=O)N1c1cccc(C(=O)N3CCN(c4ccccn4)CC3)c1)c1ccccc1O2,CID3237072,,,,,,,0.0,,,,,,,,,,
COc1cccc2c1OC1(C)CC2NC(=O)N1c1cccc(C(=O)N2CCN(c3ccccn3)CC2)c1,CID3240522,,,,,,,,,,,,,0.0,,,,0.0
COc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccncc2)cc1OC,CID665927,,,,,0.0,,,0.0,0.0,,,,,,,0.0,
COc1cc(C2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccncc2)ccc1O,CID666588,,,,0.0,0.0,,,0.0,0.0,0.0,,,0.0,,,,
Cc1ccccc1Cn1cc(NC(=O)COc2ccccc2)cn1,CID1224540,,,,,,,,,,,,0.0,,,,,
O=C(COc1ccc(Cl)cc1)Nc1cnn(Cc2c(Cl)cccc2Cl)c1,CID1017922,,,,,,,,,,,,0.0,,,,,
COc1ccc(CCNC(=O)CC2COc3ccccc3O2)cc1OC,CID2950287,,,,,,,,,,,,0.0,,,,0.0,0.0
O=C(CC1COc2ccccc2O1)NCCc1ccccc1,CID2946622,,,,,,0.0,,,,0.0,,,,,,,
Oc1ccc(CN2CCN(c3ccccc3)CC2)c2cccnc12,CID1090308,,,,,,,,,,,0.0,,,,,,
COc1ccccc1N1CCN(Cc2cc(Br)c(O)c3ncccc23)CC1,CID1342143,0.0,,,,,,,,,,0.0,,,,,0.0,
COc1ccc2[nH]c(=O)c(CN(Cc3nnnn3CCc3ccccc3)CC3CCCO3)cc2c1,CID648953,,,,,,,,,,0.0,,,,,,,
CCOc1ccc2[nH]c(=O)c(CN(Cc3nnnn3CCc3ccccc3)CC3CCCO3)cc2c1,CID647004,,,,,,,,,,0.0,,0.0,,,,0.0,0.0
CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1cnccn1,CID663374,,0.0,0.0,0.0,0.0,,,,,,,,0.0,,,,
Cn1c(SCc2nc3ccccc3[nH]2)nnc1-c1cnccn1,CID974204,,0.0,0.0,0.0,0.0,,,,0.0,,,,,,0.0,,
Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C(N)=O)CC2)Cc2ccc(F)cc2)cc1,CID1073056,,,,,,,,0.0,,,,,0.0,,,,
O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)N1CCCCC1,CID1313317,,,,,,0.0,,,,,,,0.0,,,,0.0
Cc1ccc(NC(=O)c2cn(-c3cccc(C)n3)cn2)cc1,CID3841300,,,,,,0.0,,,,,,,,0.0,,,
COC(=O)c1ccc(NC(=O)c2cn(-c3cccc(C)n3)cn2)cc1,CID1472422,,,,,,,,,,,,0.0,,,0.0,,
O=C(O)C1C2C=CC(C2)C1C(=O)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1,CID2949996,,,,,,,,,,,,,,,,,0.0
O=C(O)C1C2C=CC(C2)C1C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1,CID2942023,,,,,,,,0.0,,0.0,,0.0,0.0,,,,0.0
COc1cccc(/C=N/n2nnnc2N)c1OCc1ccccc1Cl,CID1227621,,,,,,,,,,0.0,,,,,,,
Nc1nnnn1/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl,CID1279951,0.0,,,,,,,,,,,,,,,,
Cc1ccn2c(-c3csc(NCc4ccco4)n3)c(C)nc2c1,CID697316,,,0.0,0.0,0.0,,,,,,,,,,,0.0,
Cc1nc2ccccn2c1-c1csc(NCc2ccco2)n1,CID697312,,,,0.0,0.0,,0.0,,,,,,,,,,
O=C(NCC1(c2ccccc2)CCOCC1)c1ccc(Br)o1,CID1082210,0.0,,,,,,0.0,,0.0,,,0.0,,,,0.0,0.0
COc1ccc(C2(CNC(=O)c3ccc(Br)o3)CCOCC2)cc1,CID1305587,0.0,,,,,,,,0.0,,,,,,0.0,0.0,0.0
c1ccc(-n2c(-c3ccncc3)nnc2-c2cccs2)cc1,CID648130,0.0,,,,0.0,,,,,,,,,,,0.0,
Cc1ccc(-n2c(-c3ccncc3)nnc2-c2cccs2)cc1,CID654415,,,,,0.0,,0.0,,,,,0.0,0.0,,,,
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C/c1ccccc1,CID1224930,,,,,,0.0,,,,,,,,,,,
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C/c1cccc(O)c1,CID1012339,,,,,,,,,,,,0.0,,,,,
CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccncc1)n2CCOC,CID2998788,,0.0,,,,,,,,,,,,,,,
CCCCn1c(-c2ccncc2)nc2c1c(=O)[nH]c(=O)n2CC(C)C,CID3965785,,,,,,0.0,,,,,0.0,,,,,,
CC(NC(=O)Cn1cncn1)c1ccccc1,CID11957302,,,,,,0.0,,,,,,,,0.0,,,
O=C(Cn1cncn1)NCc1ccc(Cl)cc1,CID2526628,,,,,,,,,,,,,,,0.0,,
COc1ccc(-c2cc(-n3c(C(F)(F)F)nc4ccccc43)n(CCC#N)n2)cc1,CID2999471,0.0,,,,0.0,,,,,,,,,,,,
N#CCCn1nc(-c2ccccc2)cc1-n1c(C(F)(F)F)nc2ccccc21,CID2999296,0.0,,,,0.0,,,,,,,,,,,,
CCOC(=O)c1cc(OC(=O)c2ccccc2Br)n(-c2ccccc2)n1,CID2238434,,,,,,,,,0.0,,,,,,0.0,,
CCOC(=O)c1cc(OC(=O)c2ccccc2)n(-c2ccccc2)n1,CID1251498,,,,,,0.0,,,,,,,,0.0,,,
CCCCCCc1nc2ccccc2c(=O)n1NC(=O)c1c(O)n2c3c(cccc3c1=O)CC2,CID1597144,,,,,,,,,,,,0.0,,,,,
CCCCc1nc2ccccc2c(=O)n1NC(=O)c1c(O)n2c3c(cccc3c1=O)CC2,CID649946,,0.0,,,,,,,,,,,,,,,
C/C(=N\NC(=O)Cc1cccn1C)c1cccc2ccccc12,CID761622,,,,,,0.0,,,,,,0.0,,,,,
Cn1cccc1CC(=O)N/N=C/c1cccc2ccccc12,CID1928758,,,,,,,,,,,,0.0,,,,,
Cc1ccnc(NC(=O)CCCOc2cc(=O)n(C)c3ccccc23)c1,CID3237904,,,1.0,,0.0,,,0.0,,,,,0.0,,,,0.0
Cn1c(=O)cc(OCCCC(=O)Nc2ccccn2)c2ccccc21,CID3245345,,0.0,,,0.0,0.0,,,,,,,0.0,,,0.0,
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C(C)c4ccccc4)C3=O)c(NCCCn3ccnc3)nc12,CID5349625,,,,,,0.0,,,,,,,,,,,
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c(NCCCn3ccnc3)nc12,CID5349592,,,,,,0.0,,,,,,,,,,,
Cc1ccc(N2C(=O)c3ccc(C(=O)N4CCN(c5cccc(C)c5C)CC4)cc3C2=O)cc1,CID991788,,,,,,,,,0.0,0.0,0.0,,,,0.0,,
Cc1ccc(N2C(=O)c3ccc(C(=O)N4CCN(c5ccccc5F)CC4)cc3C2=O)cc1,CID1263070,0.0,0.0,,,,,,,,,0.0,,,,,,
CCn1c(=O)cc(SCC(=O)N2CCN(c3ccccc3F)CC2)c2ccccc21,CID9551253,,,,,,0.0,,,,,,,,,,,
CCn1c(=O)cc(SCC(=O)N2CCN(c3ccccc3OC)CC2)c2ccccc21,CID3237294,0.0,,,0.0,,0.0,,,,,,,,,,,0.0
Fc1ccc(-c2nc3n(n2)Cc2ccccc2-3)cc1,CID1236969,,,,,,,,0.0,,,,,,,,0.0,0.0
Cc1ccc(-c2nc3n(n2)Cc2ccccc2-3)cc1,CID1040002,,,,,,,,,,,,,,,0.0,,
Cc1csc(NC(=O)C2COc3ccccc3O2)n1,CID9551872,,,,,,,,,,,,,,,0.0,,
Cc1cnc(NC(=O)C2COc3ccccc3O2)s1,CID3909324,,,,,,0.0,,,,,,,,,,,
C1=Nc2ccccc2/C1=C1\NN=C(SCc2cn3ccccc3n2)O1,CID9551875,,,,,,,,,,,,0.0,,,,,
Clc1ccc2nc(CSC3=NN/C(=C4/C=Nc5ccccc54)O3)cn2c1,CID5742571,,0.0,,,,,,,,,,,,,,,
Cc1ccccc1NC1=C(C(=O)c2ccccc2)N(C)S(=O)(=O)c2ccccc21,CID1043060,,,,,,0.0,,,,,,,,,,,
Cc1ccc(NC2=C(C(=O)c3ccccc3)N(C)S(=O)(=O)c3ccccc32)cc1,CID1326081,,,,,,0.0,,,,,,,,,,,
Cc1onc(-c2ccccc2)c1C(=O)N1CCN(C(=O)c2ccco2)CC1,CID1094215,0.0,,,,,,,,0.0,,,,0.0,,,,
Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(C(=O)c2ccco2)CC1,CID1119207,0.0,,,,,,,,,,,,,,,0.0,
Cc1ccc(N/N=C2\CS(=O)(=O)N(C)c3ccsc32)cc1,CID2765784,,,,,,,,,,,,,,,0.0,,
CN1c2ccsc2/C(=N/Nc2ccccc2)CS1(=O)=O,CID2765780,,,,,,,,,,,,,,0.0,,,
Cc1cccc(C)c1OCC(=O)NCc1nnc(SCC(=O)NC2CCCCC2)n1C,CID2937875,,,0.0,,0.0,,0.0,0.0,,0.0,0.0,,,,,,
Cc1cccc(C)c1OCC(=O)NCc1nnc(SCC(=O)NC2CCCCC2C)n1C,CID2939830,,,,,,,,,,,0.0,,,,,,
CCNC(=O)CC1C(=O)N(c2ccc(C)cc2)C(=O)N1Cc1ccccn1,CID2962762,,,,0.0,,,0.0,,,0.0,,0.0,,,,,
CCNC(=O)CC1C(=O)N(c2ccc(F)cc2)C(=O)N1Cc1ccccn1,CID3244222,,,0.0,,,0.0,,0.0,,,,,,,,,
Cc1c(Br)c([N+](=O)[O-])nn1C(C)C(=O)Nc1nccs1,CID2981764,,,,,,,,,,,,0.0,,,,,
O=C(Cn1ccc([N+](=O)[O-])n1)Nc1nccs1,CID1258799,,,,,,,,,,,,,,,0.0,,
COc1ccc(OCC(=O)NC(=S)Nc2ccc(N3CCOCC3)c(Cl)c2)cc1,CID1048156,,,,,,,,,,,,0.0,,,0.0,,
Cc1ccccc1OCC(=O)NC(=S)Nc1ccc(N2CCOCC2)c(Cl)c1,CID2287410,,,,,,,,,,,,0.0,,,0.0,,
Cc1ccccc1Cn1ccc(-c2ccc3c(c2)OCO3)n1,CID1481697,,,,,,,,,,,,0.0,,,0.0,,
CC(C)(C)c1ccc(Cn2ccc(-c3ccc4c(c3)OCO4)n2)cc1,CID1481718,,,,,,0.0,,,,,,0.0,,,,,
CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3cccs3)n2Cc2ccccc2)c1C,CID4333481,,,,,,,,,,,,,,0.0,0.0,,
CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3cccs3)n2Cc2ccccc2)c1C,CID2126032,,,,,,,,,,0.0,0.0,,,,,,
COc1ccc(/C(C)=N/NC(=O)c2nc(C)cc(C)n2)cc1,CID910670,,,,,,,,,,0.0,,0.0,,0.0,,,
C/C(=N\NC(=O)c1nc(C)cc(C)n1)c1ccccc1,CID910122,,,,,,,,,,0.0,0.0,0.0,,,,,
COc1ccc(NC(=S)N/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)cc1,CID6181222,,,,,,0.0,,,,,,,,,,,
Cc1ccc(NC(=S)N/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)cc1,CID2134365,,,,,,,,,,0.0,,,,,,,
O=C(c1cnn2c(C(F)F)cc(-c3ccccc3)nc12)N1CCCc2ccccc21,CID1259767,,,,,,,,,,0.0,,,,,,,
COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCCc5ccccc54)c3n2)cc1,CID1094037,,,,,,,,,,,,,,0.0,,,
Brc1ccc2ncnc(Nc3ccc(N4CCOCC4)cc3)c2c1,CID1189450,,,,,,,,,,,0.0,,,,0.0,0.0,0.0
Clc1nc(Nc2ccc(N3CCOCC3)cc2)c2ccccc2n1,CID1610772,,,,,,,,,,,,,,,0.0,,
O=C(Cn1cc(C(=O)C2CC2)c2ccccc21)NCc1ccccc1,CID965850,,,,,,,,,0.0,,,0.0,,,,,
CC(NC(=O)Cn1cc(C(=O)C2CC2)c2ccccc21)c1ccccc1,CID2975076,,,,,,,,,0.0,,,,,,,,
O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)NC(=O)NC1CCCCC1,CID2088239,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1ccc(S(=O)(=O)N2CCN(CC(=O)NC(=O)NC3CCCCC3)CC2)cc1,CID2998224,,,0.0,,0.0,,,0.0,,,,,,,,,
Fc1cccc(Cl)c1Cn1nnc2c(N3CCC4(CC3)OCCO4)ncnc21,CID655023,,,0.0,,,,,,,,,,,,,,
c1ccc(Cn2nnc3c(N4CCC5(CC4)OCCO5)ncnc32)cc1,CID646636,,0.0,,,,,,,,,0.0,,0.0,,,,
O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NC1CC2CCC1C2,CID651635,0.0,,,,,,0.0,,,,,,,,,,
Cc1ccc(-c2nnn(CC(=O)NC3CC4CCC3C4)n2)cc1,CID652195,,0.0,,,,,,0.0,,,,,,,,,
O=C(NC1CC1)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1,CID651633,,,,,,,0.0,,,,,,,,,,0.0
O=C(NC1CC1)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)CC1,CID651345,,0.0,,,0.0,,,,,,,0.0,,,,,
CCOC(=O)N1CCN(C(=O)c2oc3ccc(S(=O)(=O)N4CCCCC4)cc3c2C)CC1,CID3240478,,,,,0.0,,,0.0,,,0.0,,,,,0.0,0.0
CCOC(=O)N1CCN(C(=O)c2oc3ccc(S(=O)(=O)N4CC(C)CC(C)C4)cc3c2C)CC1,CID3242913,,,,,,0.0,,,,,,,,,,,0.0
Cc1cccc(N(C2C=CS(=O)(=O)C2)S(=O)(=O)c2ccccc2)c1,CID2949811,,,,,0.0,,0.0,,0.0,,,,,,0.0,,
Cc1ccc(S(=O)(=O)N(c2cccc(C(F)(F)F)c2)C2C=CS(=O)(=O)C2)cc1,CID2910479,,,,,0.0,,,,,,,,,,,,
Cc1nnc(SCC(=O)N2CC(=O)Nc3ccccc32)n1Cc1ccccc1,CID2483020,,,,,,0.0,,,,,0.0,,,,,,
CCC(c1nnc(SCC(=O)N2CC(=O)Nc3ccccc32)n1Cc1ccccc1)N(C)C,CID2999983,0.0,,,,,,,,,,0.0,,,,,0.0,
S=c1sc2ncccc2n1-c1ccccn1,CID902024,,,,,,,,,,,,,,,0.0,,
Cc1cnc2sc(=S)n(-c3ccccn3)c2c1,CID902033,,,,,,,,,,,,,,,0.0,,
Cc1nc(C)c(C(=O)Nc2ccc(Oc3ccccc3)cc2)o1,CID3238135,0.0,,,0.0,,,,,0.0,,,0.0,0.0,,,,
Cc1ncoc1C(=O)Nc1ccc(Oc2ccccc2)cc1,CID3237501,0.0,,,,,,,,,,,0.0,0.0,,,0.0,0.0
COc1ccc(S(=O)(=O)N2CC=C(C(=O)Nc3ccc(NC(C)=O)cc3)CC2)cc1,CID16195471,,,,,,,,,,,,,,0.0,,,
CCN(CC)c1ccc(NC(=O)C2=CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(C)c1,CID15944704,,,,,,,,,,,,,,0.0,,,
O=c1nc(CN2CCN(C/C=C/c3ccccc3)CC2)[nH]c2ccccc12,CID1310685,,,,0.0,,,,,,,,0.0,,,,,0.0
O=c1nc(CN2CCN(C/C=C/c3ccccc3)CC2)[nH]c2cc(Cl)ccc12,CID2690397,0.0,,,0.0,,,0.0,,,,,,0.0,,,,0.0
COC(=O)C(Cc1ccccc1)NC(=O)NCCC1=CCCCC1,CID1986813,,,,,,,,,0.0,,,,,,,,
O=C(NCCC1=CCCCC1)NC(Cc1ccccc1)C(=O)O,CID664635,0.0,,,0.0,0.0,,0.0,,0.0,0.0,,,,,,,0.0
CC1Cc2ccccc2N1Cc1cc(=O)n2ccsc2n1,CID2998666,,,,,,,,,,,,,0.0,,,0.0,
O=c1cc(CN2CCc3ccccc32)nc2sccn12,CID2997591,,0.0,,,,,,,,,,,,,,0.0,0.0
Cc1ccc(C(C(=O)NC2CCCC2)N(Cc2cccs2)C(=O)CNC(=O)c2cccs2)o1,CID653095,,,,,,,,,,,,,,,0.0,,
O=C(NCC(=O)N(Cc1cccs1)C(C(=O)NC1CCCC1)c1ccco1)c1cccs1,CID653833,,,,0.0,,0.0,,,,0.0,0.0,,,,,,0.0
Cc1ccc2nc(CSc3nc(C)cc(C)c3C#N)[nH]c2c1,CID845813,,,,,,0.0,,,,,,,,,,,
c1ccc(SCc2nc3ccccc3[nH]2)nc1,CID660778,,,0.0,0.0,,,,,,,,,0.0,,,0.0,
Cc1cc(=O)oc(C)c1C(=O)NCCCN1CCN(c2ccccc2F)CC1,CID3242718,,,,,,,,,,,,,,,,,0.0
Cc1cc(=O)oc(C)c1C(=O)NCCCN1CCN(c2ccc(F)cc2)CC1,CID3239311,,,,,,,,0.0,,,,,,,,,
Cc1ccc(-c2noc(CCC(=O)NCC3CCN(Cc4cccc(C)c4)CC3)n2)cc1,CID3236353,0.0,,,,,,,,,,,0.0,0.0,,,,0.0
COc1ccc(-c2noc(CCC(=O)NCC3CCN(Cc4cccc(C)c4)CC3)n2)cc1,CID3242260,,,,,,,,0.0,,,0.0,,,,,,
Cc1cc2cc(CN(Cc3ccco3)C(=O)C3CCCCC3)c(=O)[nH]c2cc1C,CID645163,0.0,,,0.0,,,0.0,,0.0,,,,,,,,
Cc1ccc2cc(CN(Cc3ccco3)C(=O)C3CCCCC3)c(=O)[nH]c2c1C,CID654791,0.0,,0.0,,,0.0,,,0.0,,,,0.0,0.0,,0.0,0.0
O=C(C1CC1)N1CCc2cc(S(=O)(=O)N(CCO)Cc3ccccc3)ccc21,CID3237003,,,,,,,,,,,,,0.0,,,,0.0
COc1ccc(CNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1,CID9551046,,,,,,,,,,,0.0,,,,,,
COC(=O)c1cn(C(=O)c2ccco2)c2ccccc12,CID703721,,,0.0,,,,,,,0.0,0.0,,,0.0,,,
COC(=O)c1cn(C(=O)c2ccc(Br)o2)c2ccccc12,CID888406,0.0,,,,,,0.0,,0.0,,,,,,,,0.0
O=C1N2CCSC2=NC1(Nc1ccccn1)C(F)(F)F,CID3244383,0.0,0.0,,,0.0,,,,,,,,,,,,0.0
Cc1cccc(NC2(C(F)(F)F)N=C3SCCN3C2=O)n1,CID2962125,,,,,0.0,,,,0.0,,,,,,,,0.0
CC1C=CCC2C(=O)N(c3cccc(C(=O)N4CCCCCC4)c3)C(=O)C12,CID3244381,,,,0.0,0.0,,,0.0,,,,,,,,,
O=C(c1cccc(N2C(=O)C3CC=CCC3C2=O)c1)N1CCCCCC1,CID3241006,0.0,0.0,,,0.0,,0.0,,,0.0,,,,,,0.0,
Cc1c(C(=O)C(=O)N2CCCc3ccccc32)c2ccccc2n1C,CID7087318,,,,,,,,,,,,,,0.0,,,
O=C(C(=O)N1CCCc2ccccc21)c1c[nH]c2ccccc12,CID1588017,,,,,,,,,,,,0.0,,,,,
COc1ccccc1C1=NOC(COc2ccc(Cl)c3cccnc23)C1,CID2978600,,,,,,,,,,,,,,,0.0,,
COc1ccc(C2=NOC(COc3ccc(Cl)c4cccnc34)C2)cc1OC,CID4889021,,,,,,,,,,,,,,,0.0,,
CCC(=O)N(Cc1ccco1)C1CC(=O)N(c2ccccc2)C1=O,CID2867126,,,,,,,,,,,,,,,0.0,,
COc1ccc(N2C(=O)CC(N(Cc3ccco3)C(=O)CCC(=O)O)C2=O)cc1,CID2867547,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)c(NC(=O)C2C3C=CCCCCC32)c(C)c1,CID5761783,,,,,,0.0,,,,,,,,,,,
Cc1ccc(NC(=O)C2C3C=CCCCCC32)cc1C,CID5741883,,,,,,0.0,,,,,,0.0,,,,,
O=C(CSc1cn(Cc2ccccc2)c2ccccc12)Nc1nccs1,CID3529029,,,,,0.0,,,,,,0.0,,,,,,0.0
Cc1ccc(Cn2cc(SCC(=O)Nc3nccs3)c3ccccc32)cc1,CID4571087,,,,,,,,,0.0,,,,,,,,
COc1ccc(/C=N/N2CCN(C)CC2)cc1OC,CID869996,,,,,,,,,,,,,,,0.0,,
COc1ccc(/C=N/N2CCN(C)CC2)cc1O,CID870150,,,,,,,,,,,,0.0,,,,,
Cc1nn(C)c(C)c1Sc1ccc(Br)cc1,CID701764,,,,,,,,,0.0,,,0.0,,,,0.0,
Cc1n[nH]c(C)c1Sc1ccccc1N,CID703197,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)cc1,CID1010323,,,,,,,,,,,0.0,,,,,,
COc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)cc(OC)c1OC,CID1011763,,,,,,,,,,0.0,0.0,,,,,,
COc1ccc(C2=C(Sc3ccc(C)cc3)c3ccc(OC)cc3S2=O)cc1,CID5939915,,,,,,0.0,,,,,0.0,,,,,,
COc1ccc(C2=C(Sc3ccc(Br)cc3)c3ccc(OC)cc3S2=O)cc1,CID5914494,,,,,,,,,,,,0.0,,,,,
Cc1nnc(NC(=O)CSc2nnc(Cc3cccn3C)n2CCc2ccccc2)s1,CID3239830,,,,,,0.0,,,,0.0,,0.0,,,,,0.0
CCSc1nnc(NC(=O)CSc2nnc(Cc3cccn3C)n2CCc2ccccc2)s1,CID3239156,,,,,0.0,,,,,,,,,,,,
COc1ccccc1NC(=O)/C=C/c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1,CID2117898,,,,,,,,,,,,,,,0.0,,
COc1ccc(/C=C/C(=O)Nc2cccc(F)c2)cc1S(=O)(=O)N1CCOCC1,CID2665231,,,,,,,,,,,,,,0.0,,,
CCN(Cc1nc(=O)c2cc(OC)c(OC)cc2[nH]1)C(=O)c1ccc(S(=O)(=O)N(C)C)cc1,CID2106455,,,,,,,,0.0,0.0,,,,,,,,
CN(Cc1nc(=O)c2ccccc2[nH]1)C(=O)c1ccc(S(=O)(=O)N(C)C)cc1,CID2077664,,,,,,0.0,,,0.0,,0.0,,,,,,
CSc1ncc(/C=C2/C(=O)NC(=O)N(C)C2=O)cn1,CID2209680,,,,,,,,,,,,0.0,,,,,
CCCCN1C(=O)NC(=O)/C(=C/c2cnc(SC)nc2)C1=O,CID2205900,,,,,,0.0,,,,,,0.0,,,,,
Cc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1,CID1356345,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)nc1,CID2312206,,,,,,,,,,,,0.0,,0.0,,,
Clc1cccc(CSC2=NN/C(=C3/C=Nc4ccccc43)O2)c1,CID11834444,,,,,,,,,,,,,,0.0,,,
C1=Nc2ccccc2/C1=C1\NN=C(SCc2ccccc2)O1,CID5742451,,,,,,,0.0,,,,,0.0,,,,,
Fc1ccc(CSc2ccc3nnc(-c4ccccn4)n3n2)cc1,CID7190530,,,,,,,,,,,,,,0.0,,,
Cc1cccc(CSc2ccc3nnc(-c4ccccn4)n3n2)c1,CID7190540,,,,,,,,,,,,,,,0.0,,
O=C(O)c1ccccc1-c1ccccc1C(=O)Nc1ccccc1,CID421269,,,,,,,,,,,,0.0,,,,,
O=C(Nc1ccccc1Br)c1ccccc1-c1ccccc1,CID1307002,,,,,,,,,,,,,,0.0,,,
N#Cc1cc2c(nc1SCc1ccc(Cl)cc1)CCCC2,CID697581,,,,,,,,,,0.0,,,,,,,
CC1(C)CCc2nc(SCc3ccccc3)c(C#N)cc2C1,CID851112,,,,,,,,,,0.0,,,,,,,
O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cccc(OCc2ccccc2)c1,CID1336512,,,,,,0.0,,,,,,,,,,,
CCN(CC)c1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1,CID1048235,,,,,,0.0,,,,,,,,,,,
Cc1ccc2cc(CN(Cc3ccco3)C(=O)NC3CCCCC3)c(=O)[nH]c2c1C,CID3172393,,,,,,,,,,,,0.0,,,,,
Cc1cccc2cc(CN(Cc3ccco3)C(=O)NC3CCCCC3)c(=O)[nH]c12,CID650246,0.0,0.0,,,,,0.0,0.0,,,0.0,,0.0,,,0.0,0.0
O=C(CN1C2CCCC1CC(NC(=O)c1ccco1)C2)Nc1ccccc1C(F)(F)F,CID649419,0.0,,,,,,,,,,,,,0.0,,,0.0
O=C(CN1C2CCCC1CC(NC(=O)c1ccco1)C2)Nc1ccccc1,CID3220653,,,,,,0.0,,,,,,,,,0.0,,
Cc1cnc(NC(=O)CSc2nnc(-c3ccccc3)n2Cc2ccccc2)s1,CID650845,0.0,0.0,,,0.0,,,,,,0.0,0.0,,,,,0.0
COc1ccc(-c2nnc(SC(C)C(=O)Nc3nccs3)n2Cc2ccccc2)cc1OC,CID2961150,,,,,,0.0,,,,0.0,0.0,0.0,,,,,
COc1ccc(C)cc1NC(=O)CCC(=O)Nc1ccc2nc(N3CCN(C)CC3)cc(C)c2c1,CID3239574,,,,,,,0.0,,0.0,,,,,,,,0.0
CCOc1ccccc1NC(=O)CCC(=O)Nc1ccc2nc(N3CCN(C)CC3)cc(C)c2c1,CID3242695,,,0.0,,,,,,0.0,,,,,,,,0.0
O=c1c2ccccc2nc(COc2ccccc2)n1/N=C/c1ccco1,CID660201,0.0,,0.0,,,0.0,,,0.0,,,0.0,,0.0,,,
Cc1ccccc1OCc1nc2ccccc2c(=O)n1/N=C/c1ccco1,CID1420066,0.0,,0.0,,,,,0.0,0.0,0.0,,0.0,0.0,,,,
O=C(NCc1ccccc1F)C1CCCN1C(=O)NC1CCCCC1,CID3219616,,,,,,,,,,,0.0,0.0,,,,,
COc1ccc(CNC(=O)C2CCCN2C(=O)NC2CCCCC2)cc1,CID652149,0.0,0.0,0.0,0.0,,,,,,,,0.0,0.0,,,,0.0
Cn1c(=O)c2c(SCc3cccnc3)nc(CC(C)(C)C)nc2n(C)c1=O,CID5310324,,,,,,,,0.0,,,,,,,,,
CCc1nc(SCc2cccnc2)c2c(=O)n(C)c(=O)n(C)c2n1,CID5310452,,0.0,,0.0,,,,0.0,,,,,,,,,0.0
CCSC1(SCC)N=C(N)C2(C#N)C(c3ccccc3)NC3=C(CCC3)C12C#N,CID659578,,,,,,,,,,0.0,,,,,,,
COc1ccc(C2NC3=C(CCC3)C3(C#N)C(OC)(OC)N=C(N)C23C#N)cc1,CID662071,,,0.0,,,,,,,,,,,,,,
Cc1ccccc1NC(=O)C(C#N)Cc1cccnc1,CID644795,,0.0,,,,,,0.0,,,,,,,,,
CCc1ccccc1NC(=O)C(C#N)Cc1cccnc1,CID646700,,0.0,,0.0,0.0,,,,,,0.0,0.0,0.0,,,,
COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1Cn1cc([N+](=O)[O-])cn1,CID1757580,,,,,,,,,,,,,,,0.0,,
COc1ccc(/C=N/NC(=O)c2ccccc2O)cc1Cn1cc(Cl)cn1,CID1028060,,,,,,0.0,,,,,,,,,,,
CC(=O)Nc1cccc(OC(=O)c2ccoc2C)c1,CID671246,,,,0.0,,,,,0.0,,,,,,,0.0,
Cc1cc(C(=O)Oc2ccccc2C(=O)O)c(C)o1,CID877366,,,,,,0.0,,,0.0,,,,0.0,0.0,,,
O=C1/C(=C\Nc2ccc(OC(F)(F)F)cc2)CCN1c1ncccn1,CID6346341,,,,,,,,,0.0,,,,,,,,
O=C1/C(=C\Nc2ccccc2)CCN1c1ncccn1,CID5929177,,,,,,,,,,0.0,,,,,,,
O=C(c1ccc(Cl)cc1)c1ccc(CN2C(=O)c3ccccc3C2=O)o1,CID1513433,,,,,,,,,,0.0,,,,,,,
O=C(c1ccccc1)c1ccc(CN2C(=O)c3ccccc3C2=O)o1,CID1253690,0.0,,,,,,,0.0,,,,,,0.0,0.0,,
Cc1ccc2c(n1)CC(C)(C)CC2=O,CID5055591,,,,,,0.0,,,,,,,,,,,
COC(=O)CSc1nc2c(cc1C#N)C(=O)CCC2,CID2941982,,,,0.0,,,,,,,,,,,,,
COC(=O)c1ccc(/N=N/c2ccccc2)cc1,CID273419,,,,,,,,,,,,,,,0.0,,
Nc1ccc(/N=N/c2ccccc2)cc1,CID6051,,,,,,,,,,,,,,,0.0,,
CC(NCc1ccco1)=C1C(=O)N(C)C(=O)N(C)C1=O,CID5389508,,,,,,,,,,,,0.0,0.0,,,,
CCCCN1C(=O)NC(=O)/C(=C(/CC)NCc2ccco2)C1=O,CID5905548,,,,,,0.0,,,,,,,,,,,
CC1=N/C(=C\N(O)C(C)(C)/C=N/O)[N+]([O-])=C1C,CID5389006,,,0.0,,,,0.0,,,,0.0,,,,,,0.0
CC1=N/C(=C\N(O)C(C)/C(C)=N/O)[N+]([O-])=C1C,CID5389178,,,,,,,,,,,,,0.0,,,,
CC(=O)OCCn1c(=O)c2cc3c(=O)n(CCOC(C)=O)c(=O)c3cc2c1=O,CID1132326,,,,,,,,0.0,,,,,0.0,,,,
CCC(=O)OCCn1c(=O)c2cc3c(=O)n(CCOC(=O)CC)c(=O)c3cc2c1=O,CID1368289,,,,,,,0.0,,,,,,,,,,
CC(N/C=C1\N=C(c2ccccc2)OC1=O)c1ccccc1,CID9551604,,,,,,,,,,,,,,,0.0,,
O=C1OC(c2ccccc2)=N/C1=C\NCc1ccccc1,CID5760335,,,,,,0.0,,,,,,,,,,,
Cc1cc2nc(SCCN3CCOCC3)[nH]c2cc1C,CID747184,,,,,,,,,,,0.0,,,,,,
c1ccc2[nH]c(SCCN3CCOCC3)nc2c1,CID739368,,,,,,0.0,,,,0.0,,,,,,,0.0
CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Oc2cccc(-c3cnc4ccccc4n3)c2)c1,CID1216394,,,,,,,,,,,,0.0,,,,,
CCN(CC)S(=O)(=O)c1cc(C(=O)Oc2cccc(-c3cnc4ccccc4n3)c2)ccc1Br,CID1036854,,,,,,,,,,,,,,0.0,,,
Cc1cc(SCC(=O)NCCN2C(=O)CSC2=O)nc2c(C)cccc12,CID2504960,,,,,,,,,,,,,,0.0,,,
COc1ccc2c(C)cc(SCC(=O)NCCN3C(=O)CSC3=O)nc2c1,CID2117126,,,,,,,,,,,,,,,0.0,,
O=C(NCCOc1ccccc1Cl)c1cccc2ccccc12,CID2223062,,,,,,0.0,,,,,,,,,,,
Cc1ccc(OCCNC(=O)c2cccc3ccccc23)cc1C,CID2225627,,,,,,0.0,,,,,,,,,,,
COc1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCC4(CC3)OCCO4)cc2)cc1,CID3245739,,,,,0.0,0.0,,,,,,,,,,,
O=C(c1ccc(CNS(=O)(=O)c2ccccc2)cc1)N1CCC2(CC1)OCCO2,CID3236308,,,0.0,,,,0.0,0.0,0.0,0.0,0.0,,0.0,,,,0.0
O=C(Cn1cccc1)N1CCc2ccccc21,CID3245732,,,,,,,,0.0,,,0.0,,,,,,0.0
CC(C(=O)N1CCc2ccccc21)n1cccc1,CID6620445,,,,,,,,,0.0,,,,,,,,
COc1ccc(-n2nc(C(=O)NCC(=O)NCC3CCCO3)c3ccccc3c2=O)c(OC)c1,CID3245736,,0.0,0.0,,,,,,,,,,,,,,
COc1ccc(-n2nc(C(=O)NCC(=O)NCC3CCCO3)c3ccccc3c2=O)cc1,CID3242338,,,,,,,0.0,0.0,,,0.0,,,,,,
Cc1nnc(-c2cnn(C)c2N)n1Cc1cccc(Cl)c1,CID1472733,,,,,,,,,,,0.0,,,0.0,,,
COc1ccc(Cn2c(C)nnc2-c2cnn(C)c2N)cc1,CID1472728,,,,,,,,,,,,,,0.0,,,
CCc1ccc(C(=O)/C=C/NCc2ccc(F)cc2)cc1,CID2189101,,,,,,,,,,,,,,,0.0,,
CCc1ccc(CN/C=C/C(=O)c2ccc(Br)cc2)cc1,CID2277394,,,,,,,,,,,0.0,,,,,,
COc1ccc(C(C(O)C(=O)c2c[nH]c3ccccc23)N2CCN(c3ccccc3)CC2)cc1,CID2999632,0.0,,0.0,,,,,,,0.0,,,,,,,0.0
COc1ccc(C(C(O)C(=O)c2c[nH]c3ccccc23)N2CCN(c3ccc(OC)cc3)CC2)cc1,CID2997856,,,,,,,,,,,,,,,,,0.0
Cc1ccc2c(c1)NC(=O)C(CC(=O)NCCCN1CCCC1=O)O2,CID5307824,0.0,0.0,,,,,0.0,0.0,,,,,,,,,
O=C(CC1Oc2ccccc2NC1=O)NCCCN1CCCC1=O,CID5307764,,0.0,0.0,,,,,,0.0,,,,,,,,
Cc1c(Cl)cccc1NC(=O)CN1C(=O)CSc2ncccc21,CID5307825,0.0,,,0.0,,,,,,,0.0,,,,,,
CCN(CC)c1ccc(NC(=O)CN2C(=O)CSc3ncccc32)c(C)c1,CID5307179,0.0,,,0.0,,0.0,,,,,,,,,,0.0,
Cc1oc(-c2ccccc2F)nc1CS(=O)(=O)CC(=O)N1CCc2ccccc2C1,CID5307829,,0.0,0.0,,,,,0.0,,0.0,,,,,,,
COc1cccc(-c2nc(CS(=O)(=O)CC(=O)N3CCc4ccccc4C3)c(C)o2)c1,CID5309818,,,,,,,,,,,0.0,,0.0,,,,
COc1ccc(S(=O)(=O)Nc2ccc3c(c2)COC3=O)cc1OC,CID713216,,,,,0.0,,,0.0,0.0,,,0.0,,,0.0,0.0,
CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3c(c2)COC3=O)cc1,CID2227042,,,,,,,,,,,,,,0.0,,,
O=C(c1cccs1)N1CCCC(c2nc(-c3ccc(F)cc3)no2)C1,CID646708,0.0,,,0.0,,,,,,0.0,,,,,,,0.0
COc1ccc(-c2noc(C3CCCN(C(=O)c4cccs4)C3)n2)cc1,CID646922,,,0.0,,,,,,,,,,0.0,,,,0.0
Cc1ccc2c(CSc3nnc(C4CC4)n3N)cc(=O)oc2c1,CID2601751,0.0,0.0,,0.0,0.0,,0.0,,,,,,0.0,,,,
Cc1ccc2c(CSc3nnc(C4CC4)n3N)cc(=O)oc2c1C,CID2601786,0.0,0.0,,0.0,0.0,0.0,,,,,0.0,,0.0,,,0.0,
Cc1cccc(N2CSC3=C(C#N)C(c4ccc(C)o4)CC(=O)N3C2)c1,CID666162,,,,,,0.0,,0.0,,,,,,,,0.0,
Cc1ccc(C2CC(=O)N3CN(c4ccc(Br)cc4)CSC3=C2C#N)o1,CID666034,0.0,,,,,,0.0,,0.0,,,,,,,0.0,
O=C1C(O)=CC=C/C1=C\NCc1ccccc1,CID6324591,,,,,,,,,,,,,,,,0.0,
CC(N/C=C1\C=CC=C(O)C1=O)c1ccccc1,CID5758099,,,,,,,,,,,,,,,,0.0,
Fc1ccccc1-c1nc(N2CCCCC2)c2ccccc2n1,CID661467,,0.0,,,,,0.0,,,,,,,,,,
NC(=O)C1CCN(c2nc(-c3ccccc3)nc3ccccc23)CC1,CID2548181,,0.0,,,,,,,,,,,0.0,,,,
COc1cc(C(=O)NCc2ccccn2)ccc1OCc1c(C)noc1C,CID2594927,,,,,,0.0,,,0.0,0.0,,0.0,,,,,
Cc1noc(C)c1COc1ccc(C(=O)NCc2ccccn2)cc1,CID2495025,0.0,0.0,0.0,0.0,,,0.0,,0.0,0.0,,,0.0,,,,
COc1cc(OC)cc(C(=O)NC(=S)N2CCCCCC2)c1,CID1242396,,,,,,,,,,,,,,0.0,,,
O=C(NC(=S)N1CCCCCC1)c1ccccc1Cl,CID732342,,,,,,,,,,,,,,0.0,,,
CCc1nnc(NC(=O)CSc2nnc(Cc3ccc(OC)cc3)o2)s1,CID648241,0.0,,,,0.0,,,,,,0.0,,0.0,,,0.0,0.0
CCc1nnc(NC(=O)CSc2nnc(Cc3ccccc3)o2)s1,CID654759,0.0,,0.0,,0.0,,0.0,,0.0,0.0,,,,,,,0.0
Cc1nc2ccccc2n1CC(=O)NCc1ccccc1,CID972913,0.0,,,0.0,0.0,,,0.0,,,,0.0,,0.0,,,
O=C(Cn1cnc2ccccc21)NCc1ccccc1,CID972481,,,,,,,,0.0,,,,0.0,,,,,
O=S(=O)(Nc1nc2c(s1)CCCC2)c1ccc(Br)cc1,CID1213359,,,,,,,,,0.0,,,,,,,,
CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3c(s2)CCCC3)cc1,CID1213365,0.0,0.0,0.0,0.0,0.0,,0.0,,0.0,,,,0.0,0.0,0.0,,
COc1ccc(NC(=O)CN2CCC(n3c(C)nc4cc(F)ccc43)CC2)c(OC)c1,CID647538,,,0.0,,,,,,,,,,,,,,
COc1ccccc1NC(=O)CN1CCC(n2c(C)nc3cc(F)ccc32)CC1,CID649329,,,0.0,,,,,,,,,0.0,0.0,,,,
CN1CCN(c2ccc(NC(=O)Cc3ccccc3)cc2)CC1,CID723436,,,,0.0,,,0.0,,,,,,0.0,,,,0.0
CCN1CCN(c2ccc(NC(=O)Cc3ccccc3)cc2)CC1,CID969221,0.0,,,,,,,,,,,,0.0,,,,0.0
CS(=O)(=O)N(CC(=O)N1CCCC1)c1cccc(Cl)c1,CID846733,0.0,0.0,0.0,0.0,,,,,,,,,,0.0,,,
CC(=O)c1cccc(N(CC(=O)N2CCCC2)S(C)(=O)=O)c1,CID962003,,,,0.0,,,0.0,,0.0,,,,0.0,0.0,,0.0,
Cc1cc2oc(=O)cc(CN3CCN(S(=O)(=O)c4cccs4)CC3)c2cc1C,CID2463636,,,,,,,,,,,,,,,0.0,,
CCc1ccc2c(CN3CCN(S(=O)(=O)c4cccs4)CC3)cc(=O)oc2c1,CID2500520,,,,,,,,,,,,,,,0.0,,
CCCCOC(=O)c1ccc(N2C(=O)CC(N3CCN(C/C=C/c4ccccc4)CC3)C2=O)cc1,CID5737491,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1ccc(N2C(=O)CC(N3CCN(C/C=C/c4ccccc4)CC3)C2=O)cc1,CID5290691,0.0,,,,,,,,,,,,,,,,
Cc1cc(NCc2ccco2)n2c(nc3ccccc32)c1C#N,CID679754,,,,0.0,,,,,,,,0.0,0.0,,,0.0,
CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCc1ccco1,CID556949,,,,,,0.0,,,,,,0.0,,,,,
Cc1ccc(-c2oc3ncnc(N)c3c2-c2ccc(C)cc2)cc1,CID905708,0.0,,0.0,,,,,0.0,,,,,,,,,0.0
COc1ccc(-c2oc3ncnc(N)c3c2-c2ccccc2)cc1,CID2223459,,,,,,,,,,,,0.0,,,,,
CCn1c(C)c(C(C)=O)c(N2CCCC2)nc1=S,CID2187172,,0.0,,0.0,,,,,,,,,0.0,,,,
C=CCn1c(C)c(C(C)=O)c(N2CCCC2)nc1=S,CID873445,,,,,,,0.0,,,0.0,0.0,0.0,0.0,,0.0,,0.0
Cc1no[n+]([O-])c1COc1ccccc1C=O,CID5346627,,,,,,0.0,,,,,,,,,,,
Cc1no[n+]([O-])c1COc1ccc(/C=C(\C#N)C(N)=O)cc1,CID703075,,,,,,,,,,,,,,0.0,,,
CC(=O)Nn1c(C)nnc1-n1nc(C)cc1C,CID716700,,0.0,,,,,,,,,,,,,,,
Cc1cc(C)n(-c2nnc(C)n2NS(C)(=O)=O)n1,CID716728,,0.0,,,0.0,,0.0,,,,,0.0,,,,,
COCCn1c(-c2ccc(-c3ccccc3Cl)o2)nc2c1c(=O)[nH]c(=O)n2CC(C)C,CID2998825,0.0,,,,,0.0,0.0,,,,,,,0.0,0.0,0.0,
CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(-c3ccccc3Br)o1)n2CCOC,CID3908086,,,,,,,,,,,,0.0,,,,,
COc1cccc2cc(-c3cn4cccc(C)c4n3)c(=O)oc12,CID767317,,,,0.0,0.0,,,0.0,,,,,,,,,0.0
CCOc1cccc2cc(-c3cn4cc(C)ccc4n3)c(=O)oc12,CID3240765,,,,,0.0,,,,,,,,,,,,0.0
Cc1cc(NC(=O)NC(=O)c2ccc(F)cc2F)n[nH]1,CID671564,0.0,0.0,,,,,,,,,,,,,,,
Cc1cc(NC(=O)NC(=O)c2cccc(OC(F)(F)C(F)F)c2)n[nH]1,CID1044226,0.0,,,,,,,,,,,,,,,,0.0
COc1ccc(NC(=O)C2(N(CC(C)C)C(=O)Cn3nnnc3N)CCCCC2)cc1,CID1044828,,0.0,,,,,,,,0.0,,,0.0,,,,
Cc1ccc(NC(=O)C2(N(CC(C)C)C(=O)Cn3nnnc3N)CCCCC2)cc1,CID1045078,,,,0.0,,,,,,0.0,0.0,,,,,,
O=C(CSCc1ccccc1Cl)N/N=C/c1ccco1,CID809289,,,,,,,,,,,,,,0.0,0.0,,
O=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccco1,CID809284,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1cnn2c(N)c(C#N)nnc12,CID769565,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1nnc2ccnn2c1N,CID558239,,,,0.0,,,,,,,,,,,,,
COc1ccc(C(=O)/C=C/Nc2cc(C)on2)cc1,CID2258047,,,,,,,,,,,,0.0,0.0,,,0.0,
COc1ccc(C(=O)/C=C/Nc2cc(C)on2)c(OC)c1,CID1893572,,,0.0,,,0.0,,,,,,,0.0,,,0.0,
Cc1cc(NC(=O)CN2CCCC(C)C2)n(-c2nc3ccccc3s2)n1,CID4524609,,,,,,,,,,0.0,,,,,,,
CCOC(=O)C1CCN(CC(=O)Nc2cc(C)nn2-c2nc3ccccc3s2)CC1,CID2335996,,,,,,,,,,,0.0,,,,,,
Cc1ccc(S(=O)(=O)NC2(C(F)(F)F)NC(=O)N(C)C2=O)cc1,CID2962091,0.0,,,,0.0,,,0.0,0.0,0.0,,0.0,,,,,0.0
CCCCN1C(=O)NC(NS(=O)(=O)c2ccc(N)cc2)(C(F)(F)F)C1=O,CID2980031,,,,,,,,,,0.0,,,,,,,
COC(=O)c1c(NC(=O)CSc2nncs2)sc2c1CCCCC2,CID2507761,,,,0.0,0.0,,,,,,,,,,,,
CCOC(=O)c1c(NC(=O)CSc2nnc(C)s2)sc2c1CCCCC2,CID2139614,,,,,,,,,,0.0,0.0,,,,,,
O=C(CSc1ncn(-c2ccccc2)n1)Nc1ccc(Br)cn1,CID1303187,,,,,,,0.0,,0.0,,0.0,,,,,0.0,0.0
O=C(CSc1ncn(-c2ccccc2)n1)Nc1ccccn1,CID651481,,0.0,,0.0,0.0,,0.0,0.0,,,0.0,,0.0,,,0.0,
CNc1nn(-c2cccc(Cl)c2)nc1N,CID3240793,0.0,0.0,,,,,,,,,,,,,,,
CCN(CC)CC(=O)Nc1nn(-c2ccccc2)nc1C(N)=O,CID715997,,,,,,,,,,0.0,,,,,,,
c1ccc(CC2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc1,CID750953,,,0.0,0.0,,,,0.0,,,,0.0,,,,,
COc1ccc(-c2noc(CN3CCC(Cc4ccccc4)CC3)n2)cc1,CID2213730,,,,0.0,,0.0,,,,,,,,,,,
O=C1CC(c2ccccc2)CN1C(=O)c1cncc(Br)c1,CID2836874,,,,,,,,,,,,,,,0.0,,
CCOC(=O)C1C(=O)N(C(=O)c2cncc(Br)c2)CC1c1ccccc1,CID2836875,0.0,,,,,,0.0,,0.0,,0.0,0.0,,,,,0.0
Cn1cccc1/C=N/n1cnnc1,CID660672,,0.0,,,,,,,,,,0.0,,,,,
Cc1nnc(C)n1/N=C/c1cccn1C,CID660962,,0.0,,0.0,,,,0.0,,,,,,,,,
Cc1ccc(OCC(=O)N2CCC(N3CCCCCC3)CC2)cc1,CID660675,0.0,0.0,,,,,0.0,0.0,,,,0.0,,,,0.0,0.0
Cc1cccc(OCC(=O)N2CCC(N3CCCCCC3)CC2)c1,CID660546,0.0,,,,,,,0.0,,0.0,,,,,,,0.0
Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCc2c[nH]c3ccccc23)cc1C,CID5736528,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCc2c[nH]c3ccccc23)cc1,CID6509573,,,,,,,,,,,,,,,0.0,,
N/C(Cc1cccs1)=N\OC(=O)COc1ccccc1,CID5348014,,,,,,0.0,,,,0.0,,,,,,,
N/C(Cc1cccs1)=N\OC(=O)COc1ccc(Br)cc1,CID9552007,,,,,,,,,,,,,,0.0,,,
CC1(C)Cc2c(sc3nnn(Cc4ccccc4)c(=O)c23)CO1,CID2026019,,,,,,,,,,,,,,,0.0,,
CC1(C)Cc2c(sc3nnn(Cc4ccc(Cl)cc4)c(=O)c23)CO1,CID1994076,,,,,,,,,,,,,,,0.0,,
CC12CN3CC(C)(CN(C1)C3c1cccs1)C2,CID662636,,,,,,,0.0,,,,,,,,,,
CC12CN3CC(C)(CN(C1)C3c1cccs1)C2O,CID709905,0.0,,,0.0,,,,,,,,,0.0,,,,
NC(=O)c1ccsc1NC(=O)CSc1ccccc1F,CID2591568,,,,,,,,,,,,,0.0,,0.0,,
COC(=O)c1c(NC(=O)CSc2ccccc2N)sc(C)c1C,CID1173266,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)n2nc(C(=O)OCC(=O)c3cc(C)n(C)c3C)nc2n1,CID2082968,,,0.0,,,,,0.0,,,,,,,,,
COCC(C)n1c(C)cc(C(=O)COC(=O)c2nc3nc(C)cc(C)n3n2)c1C,CID2997567,,,,0.0,,,,,,,,,0.0,,,,
CCn1cc(C(=O)N2CCCC2)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21,CID3241694,,,0.0,,,,0.0,,,,,,,,,,0.0
O=C(c1c[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O)N1CCCC1,CID3241343,,0.0,,,,,0.0,,,,,,,,0.0,,0.0
CCOc1ccc(-c2nc(-c3cccs3)c(CC(=O)O)s2)cc1OC,CID2497236,,,,,,,,,,,,,,0.0,0.0,,
O=C(O)Cc1sc(-c2ccccc2)nc1-c1cccs1,CID723168,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccc(C)c(NC(=O)c2ccc(OC(=O)c3ccco3)cc2)c1,CID733830,,,,,,,,,0.0,,,,,,,,
Cc1ccc(NC(=O)c2ccc(OC(=O)c3ccco3)cc2)cc1,CID725089,0.0,,,0.0,,,,0.0,,,,,0.0,,0.0,,
Cc1sc2nc(C(C)Sc3nnc(C)n3-c3ccccc3)[nH]c(=O)c2c1C,CID2998372,0.0,0.0,,0.0,0.0,,,,,,0.0,,,,,,0.0
COc1ccc(-n2cnnc2SC(C)c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1,CID2999859,,0.0,,,0.0,,0.0,,0.0,,,0.0,,,,0.0,
Cc1c(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccn2c1CCC#N,CID2314493,,,,,,,,,,,,,,0.0,0.0,,
COc1cccc(C(=O)c2c(C)c(CCC#N)n3ccccc23)c1,CID2354321,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)NC(=O)N2CCCC(C)(C)C2)cc1,CID657951,,,,0.0,,,0.0,0.0,,,,0.0,,,,,
Cc1ccc(S(=O)(=O)NC(=O)N2CCC(C)CC2)cc1,CID2347614,,,,0.0,,,0.0,,0.0,,,0.0,,,,,
CN(C(=O)c1ccncc1)C1CC(C)(C)N(O)C(C)(C)C1,CID587910,,,,,,,,,,,0.0,,,,,,
CN1CCC(NC(=O)c2ccncc2)CC1,CID1247370,,,,,,,,,,,,,,0.0,,,
O=C(Nc1c(C(=O)N2CCOCC2)cnn1-c1ccccc1Cl)c1ccco1,CID2958516,0.0,,,,,,,,,,,,0.0,,,,
O=C(Nc1c(C(=O)N2CCOCC2)cnn1-c1ccccc1)c1ccco1,CID1284314,,,,,,,0.0,,,,,,,0.0,,,
Cc1cc2c3c(c1)C1(C(=O)N3C(C)(C)CC2C)C(C#N)=C(N)Oc2n[nH]c(C)c21,CID2957372,,,,,,,,,0.0,,,0.0,,0.0,,,
Cc1cc2c3c(c1C)C1(C(=O)N3C(C)(C)CC2C)C(C#N)=C(N)Oc2n[nH]c(C)c21,CID2960397,,,0.0,,,,,,,,,,,,,,0.0
Cc1c([N+](=O)[O-])c([N+](=O)[O-])nn1CC(=O)NCCc1ccccc1,CID3104809,,,,,,,,,,,,,,0.0,,,
Cc1nn(CC(=O)NCCc2ccccc2)c(C)c1[N+](=O)[O-],CID749624,,,,,,,,,,,,,,0.0,,,
CS(=O)(=O)N1CCc2cc(-c3csc(NC(=O)Cc4cccs4)n3)ccc21,CID649031,,,,,0.0,,,,0.0,,,,,,,,
CC1Cc2cc(-c3csc(NC(=O)Cc4cccs4)n3)ccc2N1S(C)(=O)=O,CID654842,,,,,0.0,,,,0.0,,,,,,,,
COc1cccc2cc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)c(=O)oc12,CID1038782,,0.0,,,,,,,0.0,0.0,,,,,,,
CCOc1cccc2cc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)c(=O)oc12,CID1245921,0.0,,,0.0,0.0,,,0.0,0.0,0.0,,,,,,,0.0
CCN1C(=O)NC(=O)/C(=C/NCCc2c[nH]c3ccccc23)C1=O,CID5738100,,,,,,,,,,,0.0,,,,,,
CCCCN1C(=O)NC(=O)/C(=C(\C)NC(Cc2c[nH]c3ccccc23)C(=O)OC)C1=O,CID5389593,,,0.0,,,,,,,,,,,,,,
O=C(C(c1ccccc1)c1ccccc1)N1CCOCC1,CID229280,,,,0.0,,,0.0,,,,,,,,,0.0,
CC(C(=O)N1CCOCC1)(c1ccccc1)c1ccccc1,CID889990,,,,,,,,0.0,,,,,,,0.0,,
COCCN(CC(=O)NCc1ccc(F)cc1)C(=O)CCC(=O)Nc1ccccn1,CID655501,,,,,,,,,,,,,,,,,0.0
COCCN(CC(=O)NCc1ccccc1)C(=O)CCC(=O)Nc1ccccn1,CID650893,,,0.0,,,,,,,,,0.0,,,,0.0,
O=C1CCCCCC1C1(O)C(=O)Nc2ccccc21,CID3108852,,,,0.0,,,,,,,,,,,,,0.0
O=C1CCCCCC1C1(O)C(=O)Nc2ccc(Br)cc21,CID304798,0.0,,,,,,,,,,,,,,,,0.0
CN(C)Cc1nc2ccccc2c(=O)n1Cc1nc(C(C)(C)C)cs1,CID2104885,0.0,,,0.0,,,,,,,,,,,,,
Cc1csc(Cn2c(CN(C)C)nc3ccccc3c2=O)n1,CID2086939,,0.0,,,,,,,0.0,0.0,,,0.0,,,0.0,0.0
COc1ccc(NC(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)cc1OC,CID5307473,0.0,,,,,,0.0,0.0,,,,,,,,,
COc1cc(NC(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)cc(OC)c1OC,CID5309406,,,,,,,,,,,,,,,,,0.0
O=C(NCc1ccccn1)c1ccc(COc2ccc(Cl)cc2)o1,CID726955,0.0,,,0.0,,,0.0,,,,,,,,,0.0,0.0
CCc1ccc(OCc2ccc(C(=O)NCc3ccccn3)o2)cc1,CID717126,0.0,,,0.0,,,,,0.0,,,,0.0,0.0,,,0.0
OC(CNC1CCCCC1)c1ccccc1,CID23064,0.0,,,,,,,,,,0.0,,,,,,
CC1CCC(NCC(O)c2ccccc2)CC1,CID3567758,,,,,,0.0,,,,,,,,,,,
Cc1cc(C=O)c(C)n1CC1CCCO1,CID3155644,,,,,,,,,0.0,,,,,,,,
CC(=O)c1c(C(C)=O)c(C)n(CC2CCCO2)c1C,CID2984781,,,,,,,0.0,,,0.0,,,,,0.0,,
Cc1cccc(-c2nc(CS(=O)CC(=O)N3CCCCC3)c(C)o2)c1,CID5308067,,,,,,,,,,,,,0.0,,,,
CCOC(=O)C1CCN(C(=O)CS(=O)Cc2nc(-c3ccc(C)cc3)oc2C)CC1,CID5308618,,,,,,,,,,,0.0,0.0,,,,0.0,
CC(=O)N1CCN(C(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1,CID2119318,,,,0.0,,,,0.0,0.0,,0.0,,0.0,,,,0.0
CCOC(=O)N1CCN(C(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1,CID3236278,,,,,,,0.0,,,,,,,,,0.0,
O=S(=O)(c1cccc2nonc12)N1CCN(c2ccccc2F)CC1,CID1076550,,,,,,,,,,,,,,0.0,,,
O=S(=O)(c1cccc2nonc12)N1CCN(c2cccc(Cl)c2)CC1,CID999134,,,,,,,,,,,,0.0,,,,,
O=C1CCCN1CCC1CCN(C2CC(=O)N(c3ccc(Cl)cc3)C2=O)CC1,CID2961820,,,,,,,,,,,,,,,,0.0,0.0
O=C1CCCN1CCC1CCN(C2CC(=O)N(c3ccc(F)cc3)C2=O)CC1,CID2961821,,,,,,,,0.0,,0.0,,0.0,,,,,
Cc1nc2ccccc2n1C1CC(=O)N(Cc2ccccc2)C1=O,CID2961828,,,,,,,,,,0.0,,,,,,,
Cc1cc2ncn(C3CC(=O)N(Cc4ccccc4)C3=O)c2cc1C,CID2961825,,0.0,0.0,,,,0.0,0.0,,0.0,0.0,,,,0.0,,
CCOC(=O)N1CCN(c2c(F)cc3[nH]c(=S)[nH]c3c2Br)CC1,CID2958618,0.0,,,,,,,,0.0,,0.0,,,,,,
CCOC(=O)N1CCN(c2cc3[nH]c(=S)[nH]c3cc2F)CC1,CID972740,,0.0,,,,,0.0,,0.0,,0.0,,,,,0.0,
COc1ccc(C(CC(=O)NCCN2CCOCC2)NS(=O)(=O)c2ccc(C)cc2)cc1,CID9550799,,,,,,,,,,,0.0,,,0.0,,,
COc1cccc(C(CC(=O)NCCN2CCOCC2)NS(=O)(=O)c2ccc(C)cc2)c1OC,CID3244675,,,,,0.0,,,0.0,,,,,0.0,,,,
CC(C)(C)c1ccc(/C=N/NC(=O)C(=O)NCCCN2CCOCC2)cc1,CID3781780,,,,,,,,,,,,,,0.0,,,
O=C(NCCCN1CCOCC1)C(=O)N/N=C/c1ccccc1,CID4584992,,,,,,,,,,,,,,,0.0,,
c1ccc(-c2nnc(OCCN3CCOCC3)c3ccccc23)cc1,CID662348,0.0,,,0.0,,,0.0,0.0,0.0,,0.0,,0.0,,,,
Cc1ccc(-c2nnc(OCCN3CCOCC3)c3ccccc23)cc1,CID663149,0.0,,,0.0,,,,,,0.0,,,,,,,
COc1ccc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2Cc2ccco2)cc1,CID662341,,,,,,0.0,,,,,,,,,,,0.0
COc1ccccc1NC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1Cc1ccco1,CID662577,,,,,,0.0,,,0.0,0.0,,,,,,,
CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2ccc(Cl)c(N)c2)c1,CID3934416,,,,,,,,,,,,,,0.0,,,
CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2cccc(OC)c2O)c1,CID3915651,,,,,,,,,,,,,,,0.0,,
CN(C)c1ccc(/C=C2\C(=O)Nc3ccccc32)cc1,CID6450842,,,,,,,,0.0,,,,,,,,,
COc1ccccc1/C=C1\C(=O)Nc2ccccc21,CID672251,,,,,,0.0,,,,,,,,,,,
Cc1n[nH]c(=O)nc1NCCc1ccccc1,CID2789523,,,,,,0.0,,,,,,0.0,,,,,
COc1ccc(CCNc2nc(=O)[nH]nc2C)cc1OC,CID2789524,,0.0,,,,,0.0,,,,,,0.0,,,0.0,
CC(C)c1ccc(NC(=O)C(c2ccccc2)N2CCOCC2)cc1,CID4129884,,,,,,0.0,0.0,0.0,,,,,,,,,0.0
Cc1cccc(C)c1NC(=O)C(c1ccccc1)N1CCOCC1,CID3110061,,,,,,,,,0.0,,,0.0,,,,,
O=C(NCc1ccccc1)C1CCCN(S(=O)(=O)c2cccc3nonc23)C1,CID9551066,,,,,,,,,,,,,,0.0,,,
CC(NC(=O)C1CCCN(S(=O)(=O)c2cccc3nonc23)C1)c1ccccc1,CID6621536,,,,,,0.0,,,,,,,,0.0,,,
Fc1ccc(-n2cc(-c3ccccc3)c3c(N4CCOCC4)ncnc32)cc1,CID1522478,,,,,,,,,,,,,,,0.0,,
COc1ccc(-n2cc(-c3ccccc3)c3c(N4CCOCC4)ncnc32)cc1,CID1522597,,,,,,,,,,,,,,,0.0,,
COc1ccccc1CSc1ncc(-c2ccc([N+](=O)[O-])cc2)[nH]1,CID713674,,,,,,,,,,,,,,0.0,,,
O=[N+]([O-])c1ccc(-c2cnc(SCc3ccccc3Cl)[nH]2)cc1,CID977785,,,,,,0.0,,,,,,0.0,,,,,
O=C(Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccc2c(c1)OCO2,CID1296651,0.0,,,,,,,,,,,0.0,,,,,0.0
O=C(Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1ccc2c(c1)OCO2,CID1090048,0.0,,0.0,0.0,,0.0,,,0.0,0.0,0.0,0.0,,,,,0.0
Cc1cc2oc(=O)cc(COC(=O)c3cccc(N(C)C)c3)c2cc1C,CID2127766,,,,,,,,,,,,,0.0,,,0.0,
CCN(CC)c1ccc(C(=O)OCc2cc(=O)oc3cc(O)ccc23)cc1,CID5636055,,,,,,0.0,,,,,,,,,,,
O=c1[nH]c(CN2CCc3ccccc32)nc2scc(-c3cccs3)c12,CID2088447,,0.0,0.0,,0.0,0.0,0.0,,0.0,,,,,0.0,0.0,,
CC1Cc2ccccc2N1Cc1nc2scc(-c3cccs3)c2c(=O)[nH]1,CID2999853,,,,,0.0,0.0,0.0,,,0.0,0.0,,,,,,
COc1ccccc1NC(=O)C(=O)Nc1ccccn1,CID2907831,,,,,,,,,,,,0.0,,,0.0,,
Cc1ccc(NC(=O)C(=O)Nc2ccccn2)cc1,CID2245812,,,,,,,,,,,,,,,0.0,,
O=C1C2CC=C(Cl)CC2C(=O)N1c1ncn[nH]1,CID2928664,0.0,0.0,,0.0,,,,,,,,,,,0.0,0.0,
O=C1C2CC=CCC2C(=O)N1c1ncn[nH]1,CID2974148,,,,,,,,,,0.0,,,,,0.0,,
CCC(NCCc1ccccc1)=C1C(=O)CCC1=O,CID788520,,0.0,,0.0,,,,0.0,,,0.0,,,,,,0.0
CC(NCCc1ccccc1)=C1C(=O)CCC1=O,CID788460,,,,,,,,,,0.0,,,,,,,
CS(=O)(=O)N(CC(=O)N1CCc2ccccc2C1)Cc1ccc(Cl)cc1,CID2304343,,,,,,,,,,0.0,,,,,,,
CS(=O)(=O)N(CC(=O)N1CCc2ccccc2C1)Cc1ccccc1,CID1082605,,,,,,,,,0.0,,0.0,,,,,,
Cc1ccc(NC(=O)C2CC(=O)OC23CCOC(C)(C)C3)cc1,CID2928985,,,,,,,,,,0.0,,,,,,,
COc1cccc(NC(=O)C2CC(=O)OC23CCOC(C)(C)C3)c1,CID2928952,0.0,0.0,,0.0,,0.0,,0.0,,,,,0.0,,,,
N#C/C(=C\c1cn[nH]c1-c1ccc(Cl)cc1)C(=O)NC1CC1,CID840933,,,,,,,,,,,,,,,0.0,,
COc1ccc(-c2[nH]ncc2/C=C(\C#N)C(=O)NC2CC2)cc1,CID840906,,,,,,0.0,,,,,,,,,0.0,,
Cc1ccc(-c2[nH]ncc2/C=C(\C#N)C(=O)NC2CCCCC2)cc1,CID840931,,,,,,0.0,,,,,,,,,,,
COc1ccc(-c2[nH]ncc2/C=C(/C#N)C(=O)NC2CCCCC2)cc1,CID1004683,,,,,,0.0,,,,,,,,,,,
Cc1c(C(Nc2ccccn2)c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C,CID2952755,0.0,,0.0,,0.0,,,,,,,,0.0,,,,
Cc1c(C(Nc2ccccn2)c2ccccc2)c(=O)n(-c2ccccc2)n1C,CID657427,0.0,0.0,,0.0,,,,,,,,,,,,,0.0
CCCOc1ccc(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1OC,CID3325354,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1OCC,CID4551656,,,,,,,,,,,0.0,,,,,,
Cc1ccnc(NC(=O)CCC(=O)N(CC(=O)NCCc2ccccc2)Cc2ccco2)c1,CID655291,,,,,,0.0,0.0,,0.0,,0.0,0.0,,,,,0.0
O=C(CN(Cc1ccco1)C(=O)CCC(=O)Nc1ccccn1)NCCc1ccccc1,CID653340,,,,0.0,,,,,,,,,,,,,
COc1ccc(C(=O)CSc2nnc(CN3CCCCC3)n2-c2ccc(Cl)cc2)cc1OC,CID2554570,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)CSc2nnc(CN3CCCCC3)n2-c2ccc(F)cc2)cc1OC,CID2462869,,,,,,,,,,,,,,0.0,,,
COc1ccc(C2CC(=O)C(=CNCCCN3CCOCC3)C(=O)C2)cc1,CID2268421,,,0.0,,0.0,,,0.0,,,,,,,,,
O=C1CC(c2ccccc2)CC(=O)C1=CNCCCN1CCOCC1,CID3235958,,,,0.0,,,,0.0,0.0,,,,,,,,0.0
CCN(CC)c1ccc2cc(C(=O)Nc3ccc(-n4cnnn4)c(OC)c3)c(=O)oc2c1,CID649996,0.0,0.0,,0.0,,,,,,,,,,,,,
CCOc1cc(-n2cnnn2)c(OCC)cc1NC(=O)c1cc2ccc(N(CC)CC)cc2oc1=O,CID1442151,,,,,,,,,,,,0.0,,,,,
COc1ccc(C(C)=O)c(Oc2nc(CN3CCOCC3)nc3scc(-c4cccs4)c23)c1,CID2539973,,,,,,0.0,,,,,,,0.0,,,0.0,0.0
CC(=O)c1ccccc1Oc1nc(CN2CCOCC2)nc2scc(-c3cccs3)c12,CID2540653,,,,,,0.0,,,,0.0,0.0,,,0.0,,0.0,
CC1CCCN(C(=O)CNC(=O)Cn2ccc3ccccc3c2=O)C1,CID4164379,,,,,0.0,0.0,,,,,,,0.0,,,0.0,
CC1CCN(C(=O)CNC(=O)Cn2ccc3ccccc3c2=O)CC1,CID5308773,,0.0,0.0,,,0.0,,,,,,,,,0.0,,
Cc1cc(C)n2nc(SCC(=O)NCc3ccco3)nc2n1,CID2302362,,0.0,,,,,,0.0,,0.0,,,0.0,,,,
Cc1cc(C)n2nc(SC(C)C(=O)NCc3ccco3)nc2n1,CID2997808,,,,,,,0.0,0.0,0.0,0.0,0.0,,0.0,,,,
CCN(CC)C(=O)Cn1c(=O)n(-c2ccccc2)c(=O)n1CC(=O)N(CC)CC,CID551781,,,0.0,,,,,0.0,,,,,,,,,
Cn1c(=O)n(-c2cccc(Cl)c2)c(=O)n1C,CID1247929,,,,0.0,,,,,,0.0,,,,0.0,,,0.0
Cn1cc(C(c2ccccn2)c2cn(C)c3ccccc23)c2ccccc21,CID2948951,,,,,,,,,,,0.0,,,,,,
Cc1[nH]c2ccccc2c1C(c1ccccn1)c1c(C)[nH]c2ccccc12,CID2944687,,,,,,,,,,0.0,,,,,,,
CCOC(=O)C1=C(C)NC(=S)NC1c1ccc(OC(=O)c2ccco2)cc1,CID2892025,,,,,,,,,,,,,,0.0,0.0,,
CCOC(=O)C1=C(C)NC(=S)NC1c1ccc(OC(=O)c2ccco2)c(OC)c1,CID2892040,,,,,,0.0,,,,,,,,,,,
O=C(NCc1ccco1)C1CSC2c3ccccc3C(=O)N12,CID665466,,,,0.0,,,,,,,,,,,,,
CC1(C)SC2c3ccccc3C(=O)N2C1C(=O)NCc1ccco1,CID665463,,,,,,,,,,,,,,,,0.0,0.0
CC1CCN(CCn2c(=S)[nH]c3ncccc3c2=O)CC1,CID3238924,,0.0,,,,,,,,0.0,0.0,0.0,,,,,
CC1CCCCN1CCn1c(=S)[nH]c2ncccc2c1=O,CID3237170,,0.0,,,,0.0,,0.0,,,,,,,,,
CN1C(=O)c2ccccc2C(C(=O)O)C1c1cn(C)c2ccccc12,CID3239031,,,,,0.0,0.0,,,,0.0,,,,,,,0.0
CCN(CC)CCNC(=O)C1c2ccccc2C(=O)N(C)C1c1cn(C)c2ccccc12,CID3236537,,,,,,,,,0.0,,,,,,0.0,,0.0
COc1ccc(C(CNC(=O)c2ccccc2C)N2CCCC2)cc1,CID4883187,,,,,,,,,,,,0.0,,,,,
COc1ccc(C(CNC(=O)c2cccc(N(C)C)c2)N2CCCC2)cc1,CID2997566,0.0,,0.0,,,,,,,,,0.0,,,,,0.0
O=C(NC1CCCCC1)C1CCN(S(=O)(=O)N2CCCCCC2)CC1,CID3243872,0.0,,0.0,,0.0,,,,,,,,,,,0.0,
CC1CCCCC1NC(=O)C1CCN(S(=O)(=O)N2CCCCCC2)CC1,CID3242481,,,,,0.0,0.0,,,,,,,,,,,
CC(=O)Nc1ccc(N/C=C(\C=O)c2nc3ccccc3o2)cc1,CID832869,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C)c(N/C=C(\C#N)c2nc3ccccc3o2)c1,CID812710,,,,,,,,,,,,0.0,,,,,
Cc1cc(C)cc(NC(=O)Cn2nnc3ccccc3c2=O)c1,CID2573775,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC(=O)Cn2nnc3ccccc3c2=O)cc1,CID2490092,,,,,,,,,,,,,,0.0,0.0,,
O=C(NC1CCCCC1)N1CCC(c2nc3ccccc3[nH]2)CC1,CID645975,,0.0,,,,,0.0,,,,0.0,0.0,,,0.0,,
O=C(NC1CCCCC1)N1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1,CID646112,0.0,0.0,,,,,0.0,,,,,,0.0,,,0.0,
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(C(=O)c3ccc(C(F)(F)F)cc3)o2)c1,CID2333835,,,,,0.0,,,,,,,,,,,,0.0
O=C(c1ccccc1)c1nnc(-c2ccccc2F)o1,CID2917822,,,,0.0,,,,,,,,,0.0,,,,
CCC(C)N1C(=O)CCC1C(=O)NCc1ccc2c(c1)OCO2,CID3663594,,0.0,,,0.0,,,0.0,,,,,,,,,
O=C1CCC(C(=O)NCc2ccc3c(c2)OCO3)N1,CID4244779,,,,,,,,,,,,,,0.0,,,
c1ccc(-n2nnnc2N2CCOCC2)cc1,CID1281750,,,,,,,,,,,,0.0,,,0.0,,
CC1CN(c2nnnn2-c2ccccc2)CC(C)O1,CID2928885,,,,,,,,,,,,,0.0,,0.0,,
CCN(CC)c1nc2nonc2nc1N(CC)CC,CID549295,,0.0,,0.0,,,,,,,,,,,,,
CCNc1nc2nonc2nc1NCC,CID652989,,0.0,0.0,0.0,,,0.0,,,,,,0.0,,,,
CCOc1ccc(Cc2nc(N)nc(N)n2)cc1,CID660448,,,,0.0,,,,,,0.0,,,,,,,
CCCOc1ccc(Cc2nc(N)nc(N)n2)cc1,CID659117,,,,0.0,,,0.0,,,0.0,,,,,,0.0,
O=C(CCl)N(c1ccccc1)C1CCS(=O)(=O)C1,CID2772172,,,,,,,,,,,,,,0.0,,,
O=S1(=O)CC(O)C(Nc2ccc(Cl)cc2)C1,CID3154107,,,,,,,,,,,,,,,0.0,,
Cc1cccn2c(=O)c(C=O)c(N3CCN(c4ccccc4)CC3)nc12,CID2772178,,,,,,,,,,,,,,,0.0,,
COc1ccccc1N1CCN(c2nc3c(C)cccn3c(=O)c2C=O)CC1,CID1299941,,,,,,0.0,,,,,,,,,,,
CCOC(=O)CSc1nnc(CNC(=O)Cc2ccccc2)n1C,CID866654,,0.0,,,,0.0,,,0.0,,0.0,0.0,,,,0.0,
COC(=O)CSc1nnc(CNC(=O)Cc2ccccc2)n1C,CID866653,,0.0,,0.0,,0.0,,,0.0,,,0.0,0.0,,,0.0,0.0
Cc1ccc(-c2ccc(/C=N/NC(=O)CN3CCCC3)o2)cc1Cl,CID825567,,,,,,0.0,,,,,,,,,,,
O=C(CN1CCCC1)N/N=C/c1ccc(-c2cccc(Cl)c2)o1,CID824166,,,,,,0.0,,,,,,,,,,,
CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3sccc3C(N)=O)cc2)CC1,CID7164095,,,,,,,,,,,0.0,0.0,,,,,
NC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1,CID2501747,,,,,,0.0,,,0.0,0.0,,,0.0,0.0,,,
N#Cc1c(NCCCO)nc(NCc2ccccc2)c2c1CCN(Cc1ccccc1)C2,CID657663,,,0.0,,,,,,0.0,,,,,,,,0.0
N#Cc1c(NCCO)nc(NCc2ccccc2)c2c1CCN(Cc1ccccc1)C2,CID651319,,,,,,,,,0.0,,,,,,,,0.0
COC(=O)c1ccc(CSc2ncnc3c2nnn3-c2ccc(OC)cc2)o1,CID3243043,,,,,,,0.0,0.0,,,,,,,,0.0,0.0
COC(=O)c1ccc(CSc2ncnc3c2nnn3-c2ccc(F)cc2)o1,CID3243041,0.0,,,,0.0,,,0.0,,,,,,,,,
CCOC(=O)CSc1nc2ccccc2c(=O)n1CCN1CCOCC1,CID3243042,,,,,,,,,0.0,,0.0,,0.0,,,,
Cc1nc2ccccc2c(=O)n1CCN1CCOCC1,CID1975399,,,,,,,,,0.0,,,,,,,,
COc1ccc(CCNC(=O)C2CCC(CNc3c(N4CCCC4)c(=O)c3=O)CC2)cc1OC,CID3243049,0.0,,,,,,,0.0,,,,,,,,,
Cc1cccc(CCNC(=O)C2CCC(CNc3c(N4CCCC4)c(=O)c3=O)CC2)c1,CID5308656,0.0,,,,,0.0,,0.0,,,,,,,,,
O=C(CCCCn1c(=O)[nH]c2ccccc2c1=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1,CID3243048,0.0,,,,0.0,,0.0,,,,,,,,,,
Cc1ccc(C)c(N2CCN(C(=O)CCCCn3c(=O)[nH]c4ccccc4c3=O)CC2)c1,CID3241137,0.0,,,0.0,,0.0,,,,,,0.0,,,0.0,,
Cc1ccc(CCN2CC(C(=O)NCCN3CCCCCC3)CC2=O)cc1,CID3236757,,,,0.0,,,,0.0,,,,0.0,0.0,,,,
O=C(NCCN1CCCCCC1)C1CC(=O)N(CCc2ccccc2)C1,CID3239531,,,,,,,,,,,,0.0,,,,,0.0
CC1=C(C(=O)Nc2ccccc2C)C(c2ccc(C)o2)n2c(s/c(=C\c3ccccc3)c2=O)=N1,CID2938810,,,,,,,,,,0.0,,,,,,,
CC1=C(C(=O)Nc2ccccc2)C(c2ccc(C)o2)n2c(s/c(=C\c3ccccc3)c2=O)=N1,CID2878871,,,,,,0.0,,,,,,,,0.0,,,
O=C(NCCc1ccccc1)N1c2ccccc2Sc2ccccc21,CID704266,,,,,,0.0,,,,,,0.0,,,,,
COc1ccc(CCNC(=O)N2c3ccccc3Sc3ccccc32)cc1,CID1390143,,,,,,,,,,,,0.0,,,,,
Cc1ccc(NC(=O)N/C=C/c2ccc(Cl)cc2)cc1,CID5911851,,,,,,0.0,,,,,,,,,,,
Cc1ccc(NC(=O)N/C=C/c2ccccc2)cc1,CID5524089,,,,,,0.0,,,,,,,,,,,
Cc1cc(C)c(C#N)c(Nc2ccc3c(c2)OCCO3)n1,CID712051,,,,,,,0.0,0.0,0.0,,,0.0,,,,0.0,0.0
Cc1cc(C)c(C(N)=O)c(Nc2ccc3c(c2)OCCO3)n1,CID712052,,,,,,,,,,,,,0.0,,,,
Cc1ccc(-c2nnn(CC(=O)N(c3cccc(O)c3)C(C(=O)NC(C)(C)C)c3cccs3)n2)o1,CID656139,,,,,,,,0.0,,,0.0,,,,,0.0,0.0
COc1cccc(N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)C(C(=O)NC(C)(C)C)c2cccs2)c1,CID3179221,,,,,,,,,,0.0,,,,,,,
O=C(CSc1ncccc1-c1nc2ccccc2[nH]1)NCc1ccco1,CID656134,0.0,0.0,,0.0,0.0,0.0,,0.0,,,0.0,,,,,0.0,
Cc1cc2nc(-c3cccnc3SCC(=O)NCc3ccco3)[nH]c2cc1C,CID653562,0.0,,0.0,0.0,0.0,,0.0,,,,,,,,,,
c1ccc(OCc2nn3c(Cn4nnc5ccccc54)nnc3s2)cc1,CID667381,0.0,0.0,,,,,0.0,,,,,,,,,,
Fc1ccc(OCc2nn3c(Cn4nnc5ccccc54)nnc3s2)cc1,CID666068,0.0,0.0,,,,,,,,0.0,0.0,,,,,,
Cc1cccc(-c2nc(CN3CCCC(C(=O)NC4CCC(C)CC4)C3)c(C)o2)c1,CID3244705,0.0,0.0,,,,,0.0,,,,,,,,,,0.0
Cc1cccc(-c2nc(CN3CCCC(C(=O)NC4CCCCC4)C3)c(C)o2)c1,CID3244103,0.0,,,,,0.0,,,,,,,,,,,
CCC(c1nnnn1C(C)(C)C)N(Cc1ccco1)Cc1cc2cccc(C)c2[nH]c1=O,CID3200753,,,,,,,,,,0.0,,0.0,,,,,
CCCC(c1nnnn1C(C)(C)CC)N(Cc1ccco1)Cc1cc2ccc(OC)cc2[nH]c1=O,CID650906,,,,,,,,,,0.0,0.0,,,,,,
Cc1ccc(-c2cc(C(=O)NCC3CCCO3)no2)cc1,CID2974285,,,,,,,,0.0,,,,,,,,,
O=C(NCC1CCCO1)c1cc(-c2ccccc2)on1,CID2962283,,,,,,,,0.0,,,,0.0,,,,,
O=S(=O)(Cc1ccccc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID1249339,0.0,,0.0,,0.0,,,,,,,,,,,,0.0
O=S(=O)(Cc1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID1147639,,,,,0.0,,,,,,,0.0,,,,,
CC(=O)Nc1ccc(C(=O)CSc2ncn(-c3ccccc3)n2)cc1,CID1117235,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,,0.0,,,,,0.0,
O=C(CSc1ncn(-c2ccccc2)n1)c1ccc(Cl)cc1,CID772043,,,,,,0.0,,,,,,,,,,,
Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(N2CCOCC2)cc1,CID1241125,,,,,,,,,,,,0.0,,,,,
Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(N2CCOCC2)cc1,CID3911409,,,,,,0.0,,,,,,,,,,,
Cc1cc(C)n(CCc2nc(-c3cccs3)cs2)n1,CID2370234,0.0,0.0,0.0,,0.0,,,,,0.0,,,,0.0,0.0,,
Cc1cc(C)n(CCc2nc(-c3ccc(Cl)s3)cs2)n1,CID2370271,,0.0,0.0,,,,,,0.0,,,,,0.0,,,
COc1ccc(Cl)cc1NC(=O)CSc1nc2sccc2c(=O)[nH]1,CID2222115,,,,,,,,,,,,,,,0.0,,
C=CCn1c(SCC(=O)Nc2ccccc2C)nc2sc(C)c(C)c2c1=O,CID1076144,,,,,,,,,,0.0,0.0,,,,,,
COc1cc2c(cc1OC)CN(C(=O)CCCN1C(=O)c3ccccc3C1=O)CC2,CID666861,,,0.0,,,,0.0,,,,0.0,,,,,,
O=C(CCCN1C(=O)c2ccccc2C1=O)N1CCc2ccccc2C1,CID2953630,,,,,,,,,,,,0.0,,0.0,,,
COc1ccc(-c2noc(CCC(=O)N3CCCCC3)n2)cc1,CID2020010,,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2noc(CCC(=O)N3CCC(C)CC3)n2)cc1,CID866887,,,,,,,,,0.0,,,,,,,,
O=c1c2ccccc2oc2nc(-c3ccco3)n(CCc3ccccc3)c(=O)c12,CID666242,0.0,,0.0,,0.0,0.0,,,0.0,,,,,,,,
COc1ccc(CCn2c(-c3ccco3)nc3oc4ccccc4c(=O)c3c2=O)cc1,CID666565,0.0,,,0.0,0.0,,,,0.0,0.0,,,,,,,
COc1ccc(OCCOC(=O)Nc2ccccc2)cc1,CID2282581,,,,0.0,,,,0.0,0.0,,,,,,,0.0,
O=C(Nc1ccccc1)OCCOc1ccccc1,CID346767,,,,,,0.0,0.0,,,0.0,,,,,,0.0,
CC(NC(=O)CSc1nnc(Cc2ccccc2)o1)c1ccccc1,CID2941372,0.0,0.0,0.0,,0.0,,0.0,,,,,,,0.0,,,
COc1ccc(Cc2nnc(SCC(=O)NC(C)c3ccccc3)o2)cc1,CID2920510,0.0,,,,0.0,0.0,0.0,,,,0.0,,0.0,,,0.0,
Cn1c(=O)c2c(=O)cc(O)[nH]c2n(-c2ccccc2)c1=O,CID1263022,,0.0,,0.0,,,,0.0,,,,,,,0.0,,
O=c1cc(O)[nH]c2c1c(=O)[nH]c(=O)n2-c1ccccc1,CID1263019,,0.0,,,0.0,,0.0,,,,,,,,,,
COCCNC(=O)c1c[nH]n2c(=O)cc(C3CCN(C(=O)OC(C)(C)C)CC3)nc12,CID9551340,,,,,,,,,,0.0,,,,,,,
CCOC(=O)N1CCC(c2cc(=O)n3[nH]cc(C(=O)OC)c3n2)CC1,CID5309606,,,,0.0,,,,,,,,,0.0,,,,
CCCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)CC2)CC1,CID5308724,,,0.0,0.0,,,,,,,,,,,,,
CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)CC2)CC1,CID5309755,,,,,,,0.0,,,,,,,,,,
CC(=O)OCCNc1cc(N2CCN(C)CC2)c2noc3c2c1C(=O)c1ccccc1-3,CID5308727,,,,,,,,,,,,,,,,0.0,
CCOC(=O)N1CCN(c2cc(NCCC(=O)O)c3c4c(onc24)-c2ccccc2C3=O)CC1,CID3245701,,,0.0,,,,,,0.0,,,,0.0,,,,
Cc1ccccc1-n1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)NCC1CCCO1,CID5309494,,,,,,0.0,,,,,,,,,,,
O=C(CSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccccc1)NCC1CCCO1,CID5309854,,,0.0,,,,0.0,,,,,,,,,,
CC/N=C1\SC(C(N)=O)CC(=O)N1CC,CID653394,,,,0.0,,,0.0,,,,,,,,,,
C/N=C1\SC(C(=O)O)CC(=O)N1C,CID650827,,,,,,,0.0,,,,,,,,0.0,,
CCOC(=O)CNC(=O)CSc1nc2cccnc2n1C,CID653391,,,0.0,,,,,,,,,,,,,,0.0
CCOC(=O)CNC(=O)CSc1nc2cccnc2n1CC,CID3214225,,,,,,,,,0.0,,,0.0,,,,,
O=C(NCCNC(=O)c1ccco1)c1cccc(F)c1,CID651706,,,,0.0,,,,0.0,0.0,0.0,,,,,,,
COc1ccccc1C(=O)NCCNC(=O)c1ccco1,CID2204762,,,,0.0,0.0,,0.0,,,,,0.0,0.0,0.0,,,
Cc1ccc(NNC2CC(=O)N(c3cccc(Cl)c3)C2=O)cc1,CID3104406,,,,,,,,,,,,,,,0.0,,
O=C1CC(NNc2ccccc2)C(=O)N1c1cccc(Cl)c1,CID2841319,,,,,,,,,,,,,,,0.0,,
COc1cc(CNC(=O)c2ccc(Cn3nc(C)c(Cl)c3C)o2)cc(OC)c1,CID1091794,0.0,0.0,0.0,0.0,,,,,,,,,,,,0.0,0.0
Cc1ccc(CNC(=O)c2ccc(Cn3nc(C)c(Cl)c3C)o2)cc1,CID3240518,0.0,0.0,,0.0,,,,0.0,,,,,,,,,0.0
c1cnn(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1,CID738196,,0.0,,0.0,,,,,,0.0,,,,,,,
Brc1cnn(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1,CID1227312,,,,,,,,,0.0,,,,,,,,0.0
COc1ccc(CCNC(=O)c2cc3ccccn3n2)c(OC)c1OC,CID5307298,,,,,,0.0,,,0.0,,,,,,,,
CCOc1ccc(CCNC(=O)c2cc3ccccn3n2)cc1OCC,CID9550757,,,,,,,,,,,,,,0.0,,,
O=C(NCc1nnc(SCC(=O)N2CCCC2)o1)c1c(F)cccc1Cl,CID3243534,,,,,0.0,,,,,,,0.0,,,,,0.0
O=C(NCc1nnc(SCC(=O)N2CCCC2)o1)c1ccccc1F,CID3245600,,0.0,0.0,,0.0,,,,,,0.0,,,,,0.0,
Cc1cc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)no1,CID1310191,0.0,0.0,0.0,0.0,0.0,,0.0,0.0,,,,,,,,0.0,
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc(C)on3)cc2)cc1,CID1300581,,,,,,,,,,,,,,,,0.0,0.0
CC1CCC2(CC1)N=C(N)N=C1Nc3ccccc3N12,CID6098694,,,,,,,,,,,,0.0,,,,,
NC1=NC2(CCCCC2)N2C(=N1)Nc1ccccc12,CID5741987,,,,,,,,,,,,,0.0,,,,
CCc1c(O)n(C2CCCCC2)c(SCC(=O)Nc2ccc(OC)cc2)nc1=O,CID3239177,,,0.0,,0.0,,,0.0,,,,,,,,,0.0
CCc1c(O)n(C2CCCCC2)c(SCC(=O)Nc2ccc(C)cc2)nc1=O,CID658713,0.0,,0.0,,0.0,,,0.0,,,0.0,,,,,,0.0
Cc1[nH]n2c(=O)c(C#N)c(-c3ccccc3)nc2c1-c1ccccc1,CID666499,0.0,0.0,,0.0,,,,,,,,0.0,,,0.0,,
Cc1[nH]n2c(=O)cc(-c3ccc([N+](=O)[O-])cc3)nc2c1-c1ccccc1,CID1051569,,,,,,,,,,,,0.0,,,,,
COCCn1c(=O)[nH]c(=O)c2cc(C(=O)c3cc(Cl)ccc3O)cnc21,CID2537623,,,,,,,,,,,,,,,0.0,,
CCCCn1c(=O)n(C)c(=O)c2cc(C(=O)c3cc(OC)ccc3O)cnc21,CID2410186,,,,,,,,,,,,,,0.0,,,
Cc1nnc(NC(=O)C(C)Oc2ccc3c(C)cc(=O)oc3c2)s1,CID2967064,,0.0,,,,,,,0.0,,,,0.0,,,,
Cc1cc(=O)oc2cc(OCC(=O)Nc3nnc(C(C)C)s3)ccc12,CID1194279,,,,,,,,,0.0,,,,,,,,
CC1CCC(N2CCN(c3ncccn3)CC2)CC1,CID784284,,0.0,,0.0,,,,,,,,,0.0,,,,
CCOc1cc(C)nc(N2CCN(C3CCCCC3)CC2)n1,CID656154,0.0,,,0.0,,,,,,,,0.0,,,,,
Cc1ccc(C)c(Cn2[nH]nc3c(=O)nc(C4CCCN(C(=O)C5CCCCC5)C4)nc2-3)c1,CID645099,,,,,,,,,,0.0,,0.0,,,,,
O=C(C1CCCCC1)N1CCCC(c2nc3n(Cc4ccccc4)[nH]nc-3c(=O)n2)C1,CID649984,,,,,,,,,,,,,,,0.0,,
CC(C)CCNC(=O)C(c1ccco1)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21,CID645097,0.0,,,0.0,,,,,,,,,,,,,
CCC(C)(C)NC(=O)C(c1ccc(C)o1)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21,CID645968,0.0,0.0,,,,,0.0,,,,,,,,,0.0,
Cc1cc(NC(=O)CSc2nnc(Nc3ccccc3F)s2)no1,CID2588549,,,,,,,,,,,,,,0.0,,,
CCOc1ccccc1Nc1nnc(SCC(=O)Nc2cc(C)on2)s1,CID2589163,0.0,0.0,,,0.0,,,,0.0,0.0,0.0,0.0,0.0,,,0.0,
CCOC(=O)C1CCN(C(=O)CSCc2nc(-c3ccc(OCC)cc3)oc2C)CC1,CID3244948,,,0.0,0.0,0.0,,,,,,,,,,,,
COc1ccc(-c2nc(CSCC(=O)N3CCC(C(N)=O)CC3)c(C)o2)cc1OC,CID4175778,,,,,0.0,,,,,,,,,,,,0.0
O=C1C(Cl)=C(N2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccccc1,CID660360,0.0,0.0,,,,,,,,,,,,,,0.0,0.0
COc1ccc(N2C(=O)C(Cl)=C(N3CCN(Cc4ccccc4)CC3)C2=O)cc1,CID1191328,,,,,,,,,,,0.0,,0.0,,,,0.0
CCCc1cc(N2CCN(c3ccccn3)CC2)n2nc(C)c(-c3ccccc3)c2n1,CID666286,,,,,,,,,,,,,0.0,,0.0,,
Cc1nn2c(N3CCN(c4ccccn4)CC3)cc(C(C)C)nc2c1-c1ccccc1,CID666886,,0.0,,,,,,,,,0.0,,0.0,,,,
O=S(=O)(Cc1ccccc1)N1CCN(Cc2ccccc2)CC1,CID669283,0.0,,0.0,0.0,0.0,,0.0,0.0,,0.0,,0.0,0.0,,,,
O=S(=O)(Cc1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1,CID2225570,0.0,0.0,0.0,0.0,0.0,,,,,,,,,,,0.0,
CC(C)C(NC(=O)OCc1ccccc1)C(=O)NCc1ccc(C(=O)O)cc1,CID4969552,,,,,,,,,,,,,,,0.0,,
Cc1ccc(CNC(=O)C(CCC(N)=O)NC(=O)OCc2ccccc2)cc1,CID3559551,,,,,,,,,,,,,,,0.0,,
O=C1OCCC1Sc1nc2cc(Cl)ccc2o1,CID3000015,,,,,,,,,,,,,,,,,0.0
O=C1OCCC1Sc1nc2ccccc2o1,CID2948558,,,0.0,,,,0.0,,,0.0,,,,,,,
COCc1c(C(=O)OCC(=O)N2c3ccccc3CC2C)oc2ccccc12,CID3000017,,,,,,0.0,,0.0,,,,,,,,,
Cc1c(C(=O)OCC(=O)N2c3ccccc3CC2C)oc2ccccc12,CID2999656,0.0,,,,,,,,,,,,,,,,
C=CCn1c(SCc2c(C)noc2C)nc2cc(C(=O)O)ccc2c1=O,CID2082651,,,,,,,,,,,,,0.0,,,,0.0
C=CCn1c(SCc2c(C)noc2C)nc2ccccc2c1=O,CID2376084,,,,,,,,,,,,,,0.0,0.0,,
Cc1cc(Oc2ccc(=O)n(C)n2)nc(Oc2ccc(=O)n(C)n2)n1,CID756053,,0.0,,,,,,,,,,,,,,,
Cc1cc(Oc2ccc(=O)n(C)n2)nc(Oc2ccc(=O)[nH]n2)n1,CID662330,,,,0.0,,,,,,0.0,0.0,,,,,,
N#CCCN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1,CID4118026,,0.0,,,0.0,,,,,,,,,,,0.0,
CC(=O)N1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1,CID651848,,,,,0.0,,,,,,0.0,,0.0,,,,
N#Cc1nc(-c2cccs2)oc1N1CCOCC1,CID892396,,0.0,,0.0,,,,0.0,,,,,,,,,
CC1CN(c2oc(-c3cccs3)nc2C#N)CC(C)O1,CID661188,,,0.0,,,,,,,,,,,,,,
CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CSc1nc(C)cc(C)n1,CID3129893,,,0.0,0.0,,,0.0,0.0,0.0,,,,,,,,0.0
CCOC(=O)c1[nH]c(=O)[nH]c1CSc1nc(C)cc(C)n1,CID2213357,,,0.0,0.0,,,,,0.0,,,0.0,,,,0.0,
O=C(O)c1ccc(N2C(=O)C3C4c5ccccc5C(Br)(c5ccccc54)C3C2=O)cc1,CID3119418,,,,,,,,,,,,,,,0.0,,
CC(=O)c1cccc(N2C(=O)C3C4c5ccccc5C(C(C)=O)(c5ccccc54)C3C2=O)c1,CID2891646,,,,,,0.0,,,,,,,,,,,
Cc1nn(C)c(C(=O)NNC(=S)NCc2ccco2)c1Br,CID1298560,,,,,,,,,,,,,,0.0,,,
Cc1nn(C)c(C(=O)NNC(=S)NCc2ccco2)c1Cl,CID842959,,,,,,,,,,0.0,,,,,,,
COc1cccc(NS(=O)(=O)c2nc3nc(C)cc(C)n3n2)c1,CID714973,,0.0,,,,,0.0,,,,,,0.0,,,,
Cc1cc(C)n2nc(S(=O)(=O)N(C)c3ccccc3)nc2n1,CID715193,,,,0.0,,,,,,,,,,,,,
COc1ccc(S(=O)(=O)NCc2ccco2)c2ccccc12,CID1250496,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,,,,,0.0,,0.0,0.0
CCOc1ccc(S(=O)(=O)NCc2ccco2)c2ccccc12,CID684715,0.0,,,0.0,0.0,0.0,0.0,,,,,,,0.0,,,
COc1ccc(-c2nc3ccccc3c(=O)n2-c2nccs2)cc1,CID929297,,,,,,0.0,,,,,,,,,,,
O=c1c2ccccc2nc(-c2ccccc2)n1-c1nccs1,CID336904,,,,,,,,,,,,,,0.0,0.0,,
CSc1nc(SCC(=O)NCc2ccco2)c2c3c(sc2n1)COC(C)(C)C3,CID663611,,,,,0.0,0.0,,,0.0,,,,,,,0.0,
CC(C)Sc1nc(SCC(=O)NCc2ccco2)c2c3c(sc2n1)COC(C)(C)C3,CID664810,,,,,0.0,,0.0,,0.0,,,,,,,,
COc1ccc(C(=O)Nc2ccccc2C(=O)NCCN2CCOCC2)cc1,CID1316451,,,,,,,,0.0,,,,,,,,0.0,0.0
COc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)NCCN2CCOCC2)cc1,CID991455,,,,,,0.0,,,,,,,,,,,
O=C1/C(=C\c2cccs2)N=C(c2cccs2)N1Nc1ccccc1,CID1894065,,,,,,,,,,0.0,,,,,,,
O=C1/C(=C/c2cccs2)N=C(c2cccs2)N1Nc1ccccc1,CID1894066,,,,,,,,,,,0.0,,,,,,
COc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3ccc(NC(=O)c4ccccn4)cc3)C2)cc1,CID648074,,0.0,,,0.0,,,,0.0,,,,,,,,0.0
Cc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3ccc(NC(=O)c4ccccn4)cc3)C2)cc1,CID3195571,,,,,,,,,,,,0.0,,,,,
Cc1ccc(-n2c(CSc3nc(C)cc(C)n3)nnc2SCC(=O)NCc2ccco2)cc1,CID648071,,0.0,,0.0,,,,,,,,,,,,0.0,
Cc1cc(C)nc(SCc2nnc(SCC(=O)NCc3ccco3)n2-c2ccccc2)n1,CID645160,,0.0,0.0,,,0.0,0.0,,,,,0.0,,,0.0,0.0,
CCc1nnc(NC(=O)C2CCN(c3cnccn3)CC2)s1,CID648072,,,0.0,0.0,0.0,,,,,,0.0,,0.0,,,,
Cc1nnc(NC(=O)C2CCN(c3cnccn3)CC2)s1,CID653442,,,,,0.0,,,,,,0.0,0.0,0.0,,0.0,,
Cc1ccc(NC2c3ncccc3C(=O)N2C2CCCCC2)cc1C,CID3239405,0.0,0.0,,,,,,0.0,,,0.0,0.0,,,,,0.0
Cc1ccc(NC2c3ncccc3C(=O)N2C2CCCCC2)cc1,CID3238287,0.0,0.0,,0.0,,0.0,,,,,0.0,,,,,,
COc1ccc(-n2c(C)nc3cc(C(=O)N4CCOCC4)ccc32)cc1,CID3239407,0.0,0.0,0.0,,,,,0.0,,,,,,,,,0.0
COc1cc(-n2c(C)nc3cc(C(=O)N4CCOCC4)ccc32)cc(OC)c1OC,CID3236300,,0.0,,,0.0,0.0,,,0.0,0.0,,0.0,,,,,
Cc1ccc(Cn2c(SCC(=O)NCC3CCCO3)nc3c(sc4ccccc43)c2=O)cc1,CID4167802,,,,,,0.0,,,,,,0.0,,,,,
O=C(CSc1nc2c(sc3ccccc32)c(=O)n1Cc1ccccc1)NCC1CCCO1,CID4167744,,,,,,0.0,,,,,,,,,,,
Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)nn(C)c3C)CC2)n1,CID5308024,,,,,,,,,,,,,,,,0.0,
Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)nc1,CID3237356,,,,0.0,,,,,,,,,,,,,
[O-]/[N+](=C\c1ccncc1)c1ccc(Br)cc1,CID877224,,,,,,,,,,,,,,,0.0,0.0,
[O-]/[N+](=C\c1ccncc1)c1ccccc1,CID768563,,,0.0,,,,,,,,,,,,0.0,0.0,
O=C(NCCn1ccc2ccccc21)c1ccc(S(=O)(=O)N2CCCCC2)cc1,CID4338757,0.0,,,,0.0,,0.0,,,,,,0.0,,,0.0,
Cc1cc2ccccc2n1CCNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1,CID4293343,,,,,,,,,,,,0.0,,,0.0,,
O=C(Nc1ccc2nc3n(c(=O)c2c1)CCCCC3)c1ccccc1Cl,CID4259169,,,,,,0.0,,,,,,,,,,,
CN(C)c1cccc(C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCCCC4)c1,CID9551353,,,,,,,,,,,,,,,0.0,,
CCC(C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1)C1CCCCC1,CID654985,,,,,,,,,,,,0.0,0.0,,,,
COc1ccc(-c2nnn(CC(=O)N(C3CCCCC3)C(C)C(=O)NC3CCCC3)n2)cc1OC,CID650573,,,,,,,,,,0.0,,0.0,,,,,
CC1=CC(c2ccc(Cl)cc2)N2NC(NS(=O)(=O)c3ccc(C)cc3)=NC2=N1,CID5735320,,,,,,,,,,,,,,,0.0,,
CC1=CC(c2ccccc2)N2NC(NS(=O)(=O)c3ccc(C)cc3)=NC2=N1,CID5310604,,,,,,0.0,,,,,,,0.0,,,,
CCCc1nc2ccccc2n2cc3c(=O)n(C)c(=O)n(C)c3c12,CID936318,,,,0.0,,,,0.0,,,,,,,,,
CCCCc1nc2ccccc2n2cc3c(=O)n(C)c(=O)n(C)c3c12,CID1994425,,,,,,,,0.0,0.0,,,,,,,,
Cc1cc2ncc(C(=O)Nc3ccccc3)c(C)n2n1,CID936319,,0.0,0.0,0.0,,,,,,,,0.0,,,,,
Cc1nn2c(C)c(C(=O)Nc3ccccc3)cnc2c1C#N,CID936528,,,,,,,,,,,,0.0,,,0.0,,
CCOC(=O)N1CCC(Nc2c(NCCCN(C)Cc3ccccc3)c(=O)c2=O)CC1,CID5309376,0.0,0.0,0.0,,,,,,,,,,,,,0.0,
CCOC(=O)N1CCC(Nc2c(NCCCN(CC)Cc3ccccc3)c(=O)c2=O)CC1,CID9550914,,,,,,0.0,,,,,,,,,,,
COc1ccc(CN(C(=O)c2cnccn2)C(C(=O)NC(C)(C)C)c2cc(OC)c(OC)c(OC)c2)cc1,CID3181862,,,,,,,,,0.0,,0.0,0.0,,,,,
COc1cc(C(C(=O)NC(C)(C)C)N(Cc2ccccc2)C(=O)c2cnccn2)cc(OC)c1OC,CID650692,0.0,,0.0,,0.0,,0.0,,0.0,,,0.0,,,,,
Cc1ccc(NC(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1,CID2335004,,,,,,,,,,,,,,,0.0,,
NS(=O)(=O)c1ccc(NC(=O)COC(=O)C2(c3ccc(F)cc3)CCCC2)cc1,CID2418189,,,,,,,,,,,,,,0.0,,,
Cc1[nH]c2ccccc2c1C(=O)CN1CCN(C/C=C/c2ccccc2)CC1,CID5605146,,,,,,0.0,,,,,,,,,,,
COc1ccc2[nH]cc(C(=O)CN3CCN(C/C=C/c4ccccc4)CC3)c2c1,CID1915027,0.0,0.0,,,,0.0,,,,,,0.0,0.0,,0.0,,
CCOC(=O)C(NC(=O)c1ccc(OC)cc1)(Nc1cc(C)on1)C(F)(F)F,CID658427,,,,,,,,,0.0,,,,,,,,
CCOC(=O)C(NC(=O)c1ccccc1)(Nc1cc(C)on1)C(F)(F)F,CID389130,0.0,,,,0.0,,,,0.0,,,0.0,,0.0,,,0.0
Cc1cccc(N2CCN(CC(=O)Nc3nccs3)CC2)c1C,CID3152694,,,,,,,,,,,,0.0,,,,,
O=C(CN1CCN(c2ccccc2)CC1)Nc1nccs1,CID2234530,,,,,0.0,,0.0,,,,,,0.0,,,,
c1ccc(C2N=c3ccccc3=C3Nc4ccccc4N32)nc1,CID5389434,,,,,,,,,,,0.0,,,,,,0.0
CC1(c2ccccn2)N=c2ccccc2=C2Nc3ccccc3N21,CID5389729,,,,,,0.0,,0.0,,,,,,,,,
COc1cccc(C(=O)Cn2c(=O)n(CC3CCCO3)c(=O)c3ccccc32)c1,CID3237671,,,0.0,,0.0,,,0.0,0.0,0.0,,,,,,,
O=C(Cn1c(=O)n(CC2CCCO2)c(=O)c2ccccc21)c1ccccc1,CID3245606,,,,,0.0,,,,,,,,,,,,0.0
CC(=O)Nc1nc(COc2ccc3ccccc3c2)cs1,CID830442,,,,,,0.0,,,,,,0.0,,,,,
Nc1nc(COc2ccc3ccccc3c2)cs1,CID973573,,,,0.0,0.0,,,,,,,,,,,,0.0
CCC(=O)N1CCc2cc(S(=O)(=O)NCCCN3CCN(Cc4ccccc4)CC3)ccc21,CID3244592,,,,,,,,,,,,,0.0,,,,
CC(=O)N1CCc2cc(S(=O)(=O)NCCCN3CCN(Cc4ccccc4)CC3)ccc21,CID3244447,,,,,,0.0,,,,,,,0.0,,,,
CCCN1CCC(N(C)CCc2ccc(OC)c(OC)c2)CC1,CID784585,0.0,,,,,,,,,0.0,,,,,,,
COc1ccc(CCNC2CCN(C)CC2)cc1OC,CID647321,0.0,,,,,,,0.0,,0.0,,0.0,,,,,
COc1ccc(-c2ccc(Nc3ccc(C(=O)N4CCOCC4)cc3)nn2)cc1OC,CID6411247,,,,,,,,,,,,,,,0.0,,
Cc1ccccc1-c1ccc(Nc2ccc(C(=O)N3CCOCC3)cc2)nn1,CID651806,,,0.0,,,,0.0,,,,0.0,0.0,0.0,,0.0,,
Oc1c(C(c2ccco2)N2CCN(C(c3ccccc3)c3ccccc3)CC2)sc2ncnn12,CID4276367,0.0,,,0.0,,,,,,,,,0.0,,,0.0,
Cc1nc2sc(C(c3ccco3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c(O)n2n1,CID5062711,0.0,,,,,,,,,,,,,,,0.0,
Cc1ccc(CNC(=O)NCc2ccccc2)cc1,CID2313118,,,,,,,,,,,,,,0.0,,,
COc1ccc(CNC(=O)NCc2ccc(OC)c(OC)c2)cc1OC,CID2545663,,0.0,,,,,0.0,0.0,,,,0.0,,,,,
COc1ccc(-c2ccc(=O)n(CC(=O)NCc3ccco3)n2)cc1,CID3244374,,,,,,0.0,,,,,,,,,,,
CCC(C(=O)NCc1ccco1)n1nc(-c2ccc(OC)cc2)ccc1=O,CID3243504,0.0,,0.0,,0.0,0.0,,,0.0,,,0.0,,,,,
Cc1cccn2c(=O)c3cc(C(=O)N4CCN(C(=O)c5ccco5)CC4)n(C)c3nc12,CID3244378,,0.0,,,,,,,,,,,,,,,
Cn1c(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc2c(=O)n3ccccc3nc21,CID3243905,,,,0.0,,,,0.0,,0.0,,,0.0,,,0.0,
Cc1c(C(=O)NCc2ccccc2)oc2c1C(=O)CCC2,CID3244379,,,,,,,,0.0,,,,,,,,0.0,
Cc1c(C(=O)NCc2ccccc2Cl)oc2c1C(=O)CCC2,CID3236339,0.0,,,,,0.0,0.0,,,0.0,0.0,,,,0.0,0.0,0.0
C/C(NCc1ccccc1)=C1/C(=O)COC1=O,CID2834811,,,,0.0,0.0,,,,,,,,,,,0.0,
C/C(NCc1ccccc1)=C1\C(=O)OC(C)C1=O,CID2834813,,,,,,,,,,0.0,,,,,,,
CC(C)n1cnc2cc(NCc3ccccn3)ccc21,CID1842164,,,,,,,,,,,,0.0,,,,,
CCCn1cnc2cc(NCc3ccccn3)ccc21,CID828699,,0.0,,0.0,,0.0,,,,,,,,,,0.0,
CC(C)(C)c1ccc(-c2nc3n(c(=O)c2C#N)CCS3)cc1,CID626649,,,,,,,,,,,,,,,0.0,,
N#Cc1c(-c2ccc(Cl)cc2Cl)nc2n(c1=O)CCS2,CID3244706,,,,,,,,,,,,,,0.0,,,
CCOc1cc(/C=N/NC(=O)CNc2cccc(C)c2)ccc1OC(=O)c1ccccc1,CID1244510,,,,,,,,,,,0.0,0.0,,,,,
CCOc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)ccc1OC(=O)c1ccccc1,CID1368574,,,,,,,,,,,,0.0,,,,,
O=C(NCS(=O)(=O)c1ccccc1)c1ccccc1,CID786537,,,0.0,,0.0,,0.0,,0.0,,,0.0,,,,,
Cc1ccc(S(=O)(=O)CNC(=O)c2ccccc2)cc1,CID764751,0.0,,0.0,0.0,,0.0,0.0,0.0,0.0,,,,,0.0,,,0.0
O=C1CNC(=O)/C1=C\NC12CC3CC(CC(C3)C1)C2,CID1736194,0.0,,,0.0,0.0,,,0.0,,,,,,0.0,,,
O=C1CNC(=O)/C1=C/NC12CC3CC(CC(C3)C1)C2,CID741223,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-c2noc(CSc3nnc(-c4ccncc4)n3-c3ccc(C)cc3)n2)cc1,CID1257226,,,,,,,,,0.0,,,,,,,,
CCOc1ccc(-n2c(SCc3nc(-c4ccc(C)cc4)no3)nnc2-c2ccncc2)cc1,CID1249869,,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1ccc(S(=O)(=O)Nc2ccccc2-c2nnn(CC)n2)cc1,CID650167,,,,,,,,0.0,,,,,,,,0.0,
CCn1nnc(-c2ccccc2NS(=O)(=O)c2ccc(C(=O)OC)cc2)n1,CID656045,,,,,,,,,,,,,,,,0.0,
Clc1ccc(SCc2cc(-c3ccc(Cl)cc3)on2)cc1,CID1481107,,,,,,,,,,,,,,,0.0,,
Cc1ccc(SCc2cc(-c3ccc(Cl)cc3)on2)cc1,CID1481106,,,,,,,,,,,,0.0,,,0.0,,
Cc1c(C#N)c2ccccc2n1CC(=O)NCCc1c[nH]c2ccccc12,CID1088978,,,0.0,,,0.0,0.0,,0.0,,,0.0,,,,0.0,
N#Cc1cn(CC(=O)NCCc2c[nH]c3ccccc23)c2ccccc12,CID648226,,0.0,,,,,,,0.0,,,,,,,,
Cc1sc2ncn3c(C)nnc3c2c1C,CID2383529,,,,0.0,,,,,,,,,,,,,
Cc1sc2ncn3cnnc3c2c1C,CID696845,,,,0.0,,,,,,,,,0.0,,,,
C/C(=N\Nc1nc(C)cc(-c2ccccc2)n1)c1ccc(C)o1,CID4097276,,,,,,,,,,,,0.0,,,,,
Cc1cc(-c2ccccc2)nc(N/N=C/c2ccco2)n1,CID2842192,,,,,,0.0,,,,,,0.0,,,,,
c1ccc(C(c2nnnn2C2CCCC2)N2CCN(c3ccccc3)CC2)cc1,CID3208717,,,,,,,,,,,,,,0.0,,,
Cc1ccc(Cl)cc1N1CCN(C(c2ccc(C#N)cc2)c2nnnn2C2CCCC2)CC1,CID649837,,,,,,,,,,,,,,,0.0,,
O=C(CSc1nnc(-c2ccoc2)o1)N1CCOCC1,CID654437,,,0.0,,,,,,,,,,,,,,0.0
Cc1occc1-c1nnc(SCC(=O)N2CCOCC2)o1,CID666488,,0.0,,0.0,,,,0.0,,,,,,,,,0.0
O=C1N=C(NS(=O)(=O)c2ccccc2)S/C1=C/c1cccnc1,CID1893647,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)NC2=NC(=O)/C(=C/c3cccnc3)S2)cc1,CID1724252,,,,,,,,,,,,,,,0.0,,
O=C(N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1)c1ccccc1,CID1353675,,,,,,,,,,,,,,0.0,,,
Cc1cccc(C(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)c1,CID1352951,,,,,,0.0,,,,,,0.0,,,,,
O=C(N1CCOCC1)N1CCN(c2nc(-c3ccccc3)cs2)CC1,CID649570,,,,0.0,,0.0,,,,,,,,,,,
O=C(N1CCOCC1)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1,CID654461,0.0,,,,,,0.0,,,,,,,,,0.0,
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCCC1)n2Cc1cccc2ccccc12,CID664446,,0.0,0.0,,,0.0,,,,,,,,,,,0.0
Cn1c(=O)c2c(nc(N3CCCCCC3)n2Cc2cccc3ccccc23)n(C)c1=O,CID662238,,,0.0,,,0.0,,,,,,,0.0,,0.0,,
CC(C)COC(=O)N1CCCC1C(=O)Nc1nccs1,CID664447,0.0,,0.0,0.0,,,0.0,,,0.0,,,,,,0.0,
Cc1csc(NC(=O)C2CCCN2C(=O)OCC(C)C)n1,CID664827,,0.0,0.0,,,,0.0,0.0,,0.0,,,,,0.0,0.0,
CCOc1cccc(-c2nn3c(-c4cc(C)[nH]n4)nnc3s2)c1,CID665796,,0.0,,0.0,0.0,0.0,,0.0,,,0.0,,0.0,,0.0,,
COc1cccc(-c2nn3c(-c4cc(C)[nH]n4)nnc3s2)c1,CID665773,,0.0,,0.0,0.0,,,,,,0.0,,0.0,,0.0,,
S=C(c1ccc2c(c1)OCO2)N1CCCCC1,CID347809,,,,,,,,,,,,,,0.0,,,
CC1CCN(C(=S)c2ccc3c(c2)OCO3)CC1,CID2219525,,,,,,,,,0.0,0.0,,,,0.0,,,
Nc1ccc(-n2nnnc2-c2ccco2)cc1,CID650882,0.0,0.0,,0.0,,,0.0,,,,,0.0,,,,,
Cc1ccc(-n2nnnc2-c2ccco2)cc1,CID856015,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccc(Cl)cc1)Nc1ccc(N2CCOCC2)cc1,CID2791996,,,0.0,,,,,,,,,,0.0,,0.0,0.0,0.0
COc1ccccc1NC(=O)Nc1ccc(N2CCOCC2)cc1,CID2554237,,,,,,,,,,,,,,,0.0,,
CCCn1c(=O)c2ccccc2n2c(Sc3nnnn3-c3ccccc3)nnc12,CID2558423,,0.0,,,0.0,,,,,,0.0,,,,,,
C=CCn1c(=O)c2ccccc2n2c(Sc3nnnn3-c3ccccc3)nnc12,CID2559972,,,,,0.0,,,,,,0.0,,0.0,,,,
CCn1c(C)cc(=S)c2ccccc21,CID3236871,,,,0.0,0.0,,,,0.0,,,,,,,,
CCc1c(C)[nH]c2ccc(OC)cc2c1=S,CID790792,,,,,,,,,,,,,,,0.0,,
O=C(N/N=C/C=C/c1ccc2c(c1)OCO2)c1cccnc1,CID1946219,,,,,,,,,,,,,,,0.0,,
CC(/C=C/c1ccc2c(c1)OCO2)=N\NC(=O)c1cccnc1,CID726780,,,,,,,,,,,,,,,0.0,,
COc1ccccc1NC(=O)c1csc2c1CCCC2,CID748470,,,,,,0.0,,,,,,,,,,,
COc1cccc(NC(=O)c2csc3c2CCCC3)c1,CID969593,,,,,,,,,,,,,,0.0,,,
CC(=O)Nc1ccc(C(=O)Cn2nnc3ccccc3c2=O)cc1,CID651333,,0.0,0.0,,,,0.0,0.0,,,,,,,,0.0,
COc1ccc(OC)c(C(=O)Cn2nnc3ccccc3c2=O)c1,CID645410,,,,,,0.0,,,,,,,0.0,0.0,,,
Cc1ccc2cc(CN(CCN3CCOCC3)C(=O)NCc3ccccc3)c(=O)[nH]c2c1C,CID651336,0.0,,0.0,,,0.0,0.0,0.0,0.0,,,,,,,0.0,
Cc1cccc2cc(CN(CCN3CCOCC3)C(=O)NCc3ccccc3)c(=O)[nH]c12,CID651183,0.0,,0.0,0.0,,,,0.0,0.0,,,,,,,0.0,0.0
CC1CCN(C(=O)CSc2nnc(Cc3ccccc3)o2)CC1,CID2155831,0.0,,,,0.0,,0.0,,,0.0,,,,,0.0,0.0,0.0
COc1ccc(Cc2nnc(SCC(=O)N3CCCCC3)o2)cc1,CID857534,,,,,,,,,,,,,,0.0,,,
O=C(Nc1cc(Sc2ccccn2)cc([N+](=O)[O-])c1)c1ccc(Cl)cc1,CID1008286,,,,,,0.0,,,,,,0.0,,,,,
O=C(Nc1cc(Sc2ccccn2)cc([N+](=O)[O-])c1)c1cccc(Cl)c1,CID1074927,,,,,,,,,,,,,,,0.0,,
COc1ccc(-c2nc(N3CCCC3)nc3nn4c(C)cc(C)nc4c23)cc1,CID3239298,,0.0,0.0,,,,,,,,,,,,,,
Cc1cc(C)n2nc3nc(N4CCCC4)nc(-c4ccccc4)c3c2n1,CID3238681,,,0.0,,,,,,,,,,,,,,0.0
CCC1CCCCN1CCCNC(=O)c1ccc2c(=O)n(Cc3ccc(OC)cc3)c(=O)[nH]c2c1,CID9551462,,,,,,0.0,,,,,,,,,0.0,,
COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)NCCCN4CCCCC4)ccc3c2=O)cc1,CID3239035,,,,,,,,,0.0,,,,,,,,0.0
Cn1c(C(=O)O)c(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc21,CID3238238,,,0.0,,,,,,,,,,,,,,
O=C(Cc1c(C(=O)O)[nH]c2ccc(Cl)cc12)Nc1ccc2c(c1)OCCO2,CID3244229,0.0,0.0,,,,,,,,,,,0.0,,,,0.0
CC(C)OC(=O)CN1CCN(C2c3ccccc3-c3ccccc32)CC1,CID3238233,,,0.0,,0.0,0.0,,,,,,,,,,,0.0
CC(C)(C)C(=O)CN1CCN(C2c3ccccc3-c3ccccc32)CC1,CID3315507,,,,,,,,,,0.0,,,,,,,
CCS(=O)(=O)N1Cc2ccccc2CC1C(=O)Nc1nc2ccc(F)cc2s1,CID3690219,,,,,,,,,,,,,,0.0,,,
CCS(=O)(=O)N1Cc2ccccc2CC1C(=O)Nc1nc2c(C)cccc2s1,CID3502230,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(N(CC(=O)N2CC=C(c3ccccc3)CC2)S(=O)(=O)c2c(C)noc2C)cc1,CID5309654,,,,,,,,,,,0.0,0.0,,,,,
COc1ccc(N(CC(=O)N2CC=C(c3ccccc3)CC2)S(=O)(=O)c2c(C)noc2C)cc1,CID5307701,,,0.0,,,,,0.0,,,,,,,,,
COc1cccc(C(=O)NNC(=S)NC2CCCCC2)c1,CID674392,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)NNC(=S)NC2CCCCC2)cc1OC,CID871600,,,,,,0.0,,,,,,,,0.0,,,
CCOC(=O)Cc1csc(NC(=O)CSc2nc3sc(C(=O)O)c(C)c3c(=O)[nH]2)n1,CID2142354,,,,,,,,,,,0.0,,,,,,
Cc1csc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)[nH]2)n1,CID650604,,,,,,,,,0.0,,,,,,,,
CC1(C)Cc2c(sc3ncn4nc(-c5ccco5)nc4c23)CO1,CID660937,,0.0,,0.0,,,0.0,,0.0,,,,,,,,
Cc1nc2sc3c(c2c2nc(-c4ccco4)nn12)CC(C)(C)OC3,CID666587,0.0,,,,,,0.0,,0.0,,0.0,,,,,0.0,
CCn1c(=O)cc(SCC(=O)Nc2cccnc2)c2ccccc21,CID3245788,0.0,,,,0.0,,,0.0,,,,,,,,0.0,
Cn1c(=O)cc(SCC(=O)Nc2cccnc2)c2ccccc21,CID3242516,0.0,0.0,,0.0,0.0,,,,0.0,,,,,,,0.0,0.0
COC(=O)c1c(/N=C/N(C)C)c(C#N)c2n1CCCC2,CID2839816,,,,,,0.0,,0.0,0.0,,,0.0,,,,,
CCOC(=O)c1c(N)c(C#N)c2n1CCCC2,CID741278,,,,,,,,,,,,0.0,,,0.0,,
CC1CCCCC1NC(=O)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1,CID3240006,,,,,0.0,,,,0.0,,,,,,,,0.0
CC1CCCC(NC(=O)C2CCN(S(=O)(=O)N3CCC4(CC3)OCCO4)CC2)C1C,CID3238437,,,,0.0,,,0.0,0.0,,,,,,,,,
O=C(Cc1c(C(=O)O)[nH]c2ccccc12)NCCN1CCN(c2ccccc2F)CC1,CID3240001,,,,,,,,,,,,0.0,,,,,
O=C(Cc1c(C(=O)O)[nH]c2ccccc12)NCCN1CCN(c2cccc(Cl)c2)CC1,CID3075496,0.0,,,,0.0,,0.0,,,,,,,,,,0.0
CCc1nnc(NC(=O)CSc2ncnc3scc(-c4ccc(C)cc4)c23)s1,CID3189795,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4nnc(C)s4)c23)cc1,CID3189797,,,,,,,,,,,,0.0,,,,,
Cc1ccc(NC(=O)CS(=O)Cc2nc(-c3ccc(C)cc3)oc2C)cc1,CID4194875,,,,,,,,,,,,0.0,,,,,
CCc1cccc(NC(=O)CS(=O)Cc2nc(-c3ccc(C)cc3)oc2C)c1,CID4194877,,,,0.0,,,,0.0,,,,,,,,,0.0
Cc1cc(C)nc(-n2nc(C)c3c(C)c(C)c(C)nc32)n1,CID2459333,,,,,,0.0,,,,,,0.0,,,,,
Cc1cc(C)nc(-n2nc(C)c3c(C(F)F)cc(C)nc32)n1,CID2110867,,0.0,0.0,,,,,,,,,,,,,,
Cc1ccc(C2CC(=O)Nc3cc4c(cc32)OCCO4)s1,CID2973470,,,,,0.0,,0.0,0.0,,,,,0.0,,,,
O=C1CC(c2cccs2)c2cc3c(cc2N1)OCCO3,CID2962890,,,,,0.0,,,,,,,,,,,,
O=C(c1csc(Cc2ccc(Cl)cc2)n1)N1CCCCC1,CID1472630,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(Cc2nc(C(=O)N3CCCCC3)cs2)cc1,CID1472641,,,,,,,,,,,,,,0.0,,,
O=C(CSc1nnc(COc2ccccc2)n1Cc1ccco1)NCc1ccco1,CID644610,,,0.0,,,,,,,,,,,,,,0.0
COc1ccccc1OCc1nnc(SCC(=O)NCc2ccco2)n1Cc1ccco1,CID646522,,,,,,,,,,,,,,,,0.0,
CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C1CC=CCC1C(=O)O,CID2887241,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-c2csc(NC(=O)C3CC=CCC3C(=O)O)c2C(=O)OC(C)C)cc1,CID2887258,,,,,,,,,,,,,,,0.0,,
O=C(NCC12CC3CC(CC(C3)C1)C2)C1=CC2=NC(c3ccco3)CC(C(F)(F)F)N2N1,CID5293674,0.0,,,,,,,,,,,,,,,,
O=C(NCC12CC3CC(CC(C3)C1)C2)C1=C(Cl)C2=NC(c3ccco3)CC(C(F)(F)F)N2N1,CID5293014,0.0,,,,,,0.0,,,,,,,,,,
O=C(NCc1ccccc1)C1CC2CCCC(C1)C2=O,CID2970124,,,,,,,,,,,,,,,,,0.0
CC(NC(=O)C1CC2CCCC(C1)C2=O)c1ccccc1,CID2969415,,,0.0,,,,,0.0,,0.0,,,,,,,
COc1ccc(CCN2C(=O)CC(Nc3ccc(N4CCOCC4)cc3)C2=O)cc1OC,CID2947814,0.0,,0.0,0.0,,,,,,,,,0.0,,,0.0,
O=C1CC(Nc2ccc(N3CCOCC3)cc2)C(=O)N1CCc1ccccc1,CID2988026,,,,,,,,,,,,0.0,,,0.0,,
COC(=O)c1ccc(CN2C(=O)NC3(CCC(C)CC3)C2=O)o1,CID2109800,,,0.0,,,,0.0,,,,,,0.0,,0.0,0.0,0.0
COC(=O)c1ccc(CN2C(=O)NC3(CCCCC3C)C2=O)o1,CID2997863,,,,,,,,,,,,,0.0,,,,0.0
COc1ccccc1CNC(=O)COC(=O)/C=C/c1cccs1,CID2105197,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(CNC(=O)COC(=O)/C=C/c2cccs2)cc1,CID2341719,,,,,,,,,,,,,,0.0,,,
COc1ccc(Oc2nc(C)cc(C)c2S(=O)(=O)c2ccc(C)cc2)cc1,CID1488731,,,,,,0.0,,,,,,,,,,,
Cc1ccc(S(=O)(=O)c2c(C)cc(C)nc2Oc2cccc(C)c2C)cc1,CID1488732,,,,,,0.0,,,,,,0.0,,,,,
Cc1cccc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)n1,CID2345962,0.0,,,0.0,,,0.0,,0.0,0.0,0.0,,,,,,
Cc1ccc(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)nc1,CID868798,0.0,0.0,,,,,,,0.0,,0.0,,0.0,,,,
COc1cccc(-c2nnc(NC(=O)Cc3cccs3)s2)c1,CID2201274,0.0,0.0,,0.0,0.0,,,,,0.0,0.0,,0.0,0.0,,,0.0
CCN(C(=O)Cc1cccs1)c1nnc(-c2cc(OC)c(OC)c(OC)c2)s1,CID649436,,,,,,,,,,,0.0,,,,0.0,,
CCOc1ccc2[nH]cc(C(=O)N3CCN(CC)CC3)c(=O)c2c1,CID645642,0.0,,0.0,0.0,,,,0.0,0.0,,,,,,,,0.0
CCN1CCN(C(=O)c2cn(CC)c3ccc(S(=O)(=O)N(C)C)cc3c2=O)CC1,CID5309027,,,,,,,,,,,,,,,,0.0,
COc1ccc(/C=N/NC(=O)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-],CID1513957,,,,,,,,,,,,,,,0.0,,
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2,CID1237240,,,,,,0.0,,,,,,,,,,,
O=C(OCn1nnc2ccccc2c1=O)c1ccco1,CID694189,,,,,,,,,,0.0,,,,,,,
O=C(OCn1nnc2ccccc2c1=O)c1ccc(Br)o1,CID1190726,0.0,,,,,,0.0,,0.0,,0.0,,,,,,0.0
CCOC(=O)C1CCCN(CC(=O)/C(C#N)=C2/NC(c3ccccc3)=CS2)C1,CID5742553,,0.0,,,,,0.0,0.0,,,,,,,,,0.0
N#C/C(C(=O)CN1CCCCC1)=C1\NC(c2ccc(Cl)cc2)=CS1,CID5665564,,,,,,0.0,,,,,,,,,,,
CC(C)Cc1nc2oc3c(NCC4CCCO4)ncnc3c2c2c1CCC2,CID666895,,0.0,,,0.0,0.0,,0.0,,,,,0.0,,0.0,,
CC(C)c1nc2oc3c(NCC4CCCO4)ncnc3c2c2c1CCC2,CID666030,,,,,0.0,0.0,0.0,,,,,,0.0,0.0,0.0,,0.0
CC1Cc2ccccc2N1C(=O)CSC1=NCCS1,CID2997916,,,0.0,,0.0,,0.0,,,0.0,,,,,,,
O=C(CSC1=NCCS1)N1CCc2ccccc21,CID975894,,,,,,,0.0,,,0.0,0.0,,0.0,0.0,0.0,,
COc1ccc(C(c2nnnn2Cc2ccc(F)cc2)N2CCN(c3ccc(OC)cc3)CC2)cc1,CID646652,,,,,,,,,,,,,,,,0.0,
COc1ccc(C(c2nnnn2Cc2ccc(F)cc2)N2CCN(c3ccccc3)CC2)cc1,CID647579,,,,,,,0.0,,,,,,0.0,,,,
O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl)NCC1CCCO1,CID2964000,0.0,,0.0,,,,0.0,,0.0,,,0.0,,,,,0.0
O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)NCC1CCCO1,CID2943047,,,,0.0,0.0,,,,0.0,,,,,,,,
Cc1ccc(C(=O)NNC(=O)C2CCN(c3nc(C)cc(C)n3)CC2)cc1,CID3223271,,,,,,,,,,,,,,0.0,,,
Cc1ccnc(N2CCC(C(=O)NNC(=O)c3ccccc3C)CC2)n1,CID3223217,,,,,,0.0,,,,,,,,,,,
O=C(CSc1nnc(CNc2ccccc2)o1)N1CCN(C(=O)c2ccco2)CC1,CID654597,,,,,,,,,,,,,,,,0.0,0.0
O=C(CSc1nnc(CNc2ccc(F)cc2)o1)N1CCN(C(=O)c2ccco2)CC1,CID653683,,,0.0,,,,,0.0,,,0.0,,,,,,
CCOc1cc(S(=O)(=O)NCC2OCCc3ccccc32)c(OCC)cc1-n1cnnn1,CID656331,,,,0.0,,,,0.0,,,,,,,,0.0,0.0
COc1cc(S(=O)(=O)NCC2OCCc3ccccc32)ccc1-n1cnnn1,CID3191949,,,,,,,,,,,,0.0,,,,,
COc1cc2[nH]c(=S)n(CCN3CCOCC3)c(=O)c2cc1OC,CID1942924,,0.0,,0.0,,,,,0.0,,,,0.0,,,0.0,
COC(=O)c1ccc2c(=O)n(CCN3CCOCC3)c(=S)[nH]c2c1,CID866396,,0.0,,0.0,,,,,0.0,,,,,,,0.0,
Cc1ccc2nc(C3CCN(C(=O)NCc4ccccc4)CC3)[nH]c2c1,CID647865,0.0,0.0,0.0,,,0.0,,,,,,0.0,,,,,0.0
O=C(NCc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1,CID653075,,0.0,0.0,0.0,,0.0,,,,,0.0,,,,,,0.0
Cc1csc(NC(=O)C2CCCN(S(=O)(=O)c3cccnc3)C2)n1,CID5309258,,,0.0,,,0.0,0.0,,,,,,,,,0.0,
O=C(Nc1nccs1)C1CCCN(S(=O)(=O)c2cccnc2)C1,CID5309284,,0.0,,,,,0.0,,,,,,,,,0.0,
Cc1ccc(SC(CC(=O)c2ccc(C)cc2)C(=O)O)cc1,CID2729589,,,,,,,,,,,,,,0.0,,,
CC(C)(C)c1ccc(C(=O)CC(Sc2ccc(Cl)cc2)C(=O)O)cc1,CID4251978,,,,,,,,,,,,,,,0.0,,
CC(C)(C)C(=O)C1C2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)C2C2c3ccccc3C=CN12,CID665230,,,0.0,,,,,,,0.0,,,,,0.0,,
N#CC1C2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)C2C2c3ccccc3C=CN12,CID664603,,,,,,,,,,0.0,0.0,,,,,,
Fc1ccccc1CSc1nnc(Cn2cnc3ccccc32)n1-c1ccccc1,CID1313920,0.0,,,,,,,,,,,,,,,,
Clc1ccccc1CSc1nnc(Cn2cnc3ccccc32)n1-c1ccccc1,CID1303386,,,,,,0.0,,,,,0.0,0.0,,,,,
CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1,CID1357733,,,,,,,,,,0.0,,0.0,,,,,
CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1,CID1312925,,,,,,,,,,,,0.0,,,,,
COc1ccc(C2N=C(c3ccccc3)NC(c3ccccc3)=N2)cc1,CID699668,,,,,,,,,,,0.0,,,,,,
Oc1ccccc1C1N=C(c2ccccc2)NC(c2ccccc2)=N1,CID786550,,,,,,,,,,,0.0,,,,,,
CC(C)Oc1ccc(CCc2n[nH]c(=S)n2Cc2ccccc2)cc1,CID2237663,,,,,,,,,,,,,,0.0,,,
CCCOc1ccc(CCc2n[nH]c(=S)n2Cc2ccccc2)cc1,CID1903751,,,,,,,,,,,,,,,0.0,,
COc1ccc(C2CC(C(F)(F)F)N3NC(C(=O)NCc4c(C)nn(C)c4C)=C(Cl)C3=N2)cc1,CID5767135,,,,,,,0.0,,,,,,,,,,
COc1ccc(C2CC(C(F)(F)F)N3NC(C(=O)NCc4cn(C)nc4C)=C(Cl)C3=N2)cc1,CID5767118,,,,,,,0.0,,,,,0.0,,,,,
Cc1nc2nc(C)c(CCC(=O)NCCC3=CCCCC3)c(C)n2n1,CID3244141,,0.0,,,,0.0,,,,,,,0.0,,0.0,,
Cc1nc2ncnn2c(C)c1CCC(=O)NCCC1=CCCCC1,CID3235776,,0.0,0.0,0.0,,,0.0,,,,,,,,,,
S=C1NC(c2ccccc2)N2C(=S)NC(c3ccccc3)N12,CID3102986,,,,,,,,,0.0,0.0,,,,,,,
COc1ccc(C2NC(=S)N3C(c4ccc(OC)cc4)NC(=S)N23)cc1,CID4402452,,,,,,0.0,,,,,,,,,,,
Cc1ccc(OCC(=O)Nc2sc3c(c2C#N)CC(C)(C)NC3(C)C)cc1,CID1149349,,,,,,,,,,,,,,0.0,,,
CC1(C)Cc2c(sc(NC(=O)COc3ccccc3)c2C#N)C(C)(C)N1,CID1149347,,,,,,,,,,,,,,0.0,,,
O=C(Nc1cccc2cccnc12)c1ccc(Br)o1,CID836073,,,,,,,0.0,,,,,0.0,,,,,0.0
Cc1ccc2cccc(NC(=O)c3ccc(Br)o3)c2n1,CID666114,0.0,,,,,,,,,,0.0,0.0,,,,,0.0
CSCCC(NC(=O)c1ccco1)C(=O)OCC(=O)Nc1sccc1C#N,CID2997580,,,,,0.0,0.0,0.0,,,,,,0.0,,,,
COC(=O)c1c(NC(=O)COC(=O)CNC(=O)c2ccco2)sc(C)c1C,CID2503347,,,,,,,,,,,,,,0.0,,,
CC1(c2ccccc2)NC(=O)N(CCN2C(=O)c3ccccc3C2=O)C1=O,CID2997583,,,,,,,,0.0,0.0,,,0.0,,,,,
CCCC1(c2ccccc2)NC(=O)N(CCN2C(=O)c3ccccc3C2=O)C1=O,CID9551931,,,,,,0.0,,,,,,,,,,,
CN(C)/C=N/c1cnc(C(=O)c2ccc(Cl)cc2)n1C,CID2997582,0.0,,0.0,,,,0.0,,,,,,,,,0.0,0.0
CCN(CC)CCNC(=O)c1ccccc1C(=O)c1ncc[nH]1,CID2235959,,0.0,,,,,,0.0,0.0,,0.0,,0.0,,,,
CC(=O)c1cccc(S(=O)(=O)N2CCCC(c3nc(-c4ccc(C)o4)no3)C2)c1,CID655617,,,,,,,,0.0,,,,,0.0,,,,0.0
Cc1ccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(S(=O)(=O)N(C)C)cc4)C3)n2)o1,CID3226283,,,,,,,,,,,0.0,,,,,,
CC(=O)C1C(=O)C=C(c2cccs2)CC1c1ccccc1,CID2842209,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C1C(=O)C=C(c2cccs2)CC1c1ccccc1C,CID3548972,,,,,,,,,,,,,,,0.0,,
O=C(NC(=S)Nc1ccc(Cc2ccncc2)cc1)c1ccccc1,CID738873,,,,,,0.0,,,,,,,,,,,
O=C(NC(=S)Nc1ccc(Cc2ccncc2)cc1)c1ccccc1Cl,CID1370566,,,,,,,,,,,,,,,0.0,,
O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCOCC1,CID823364,,,,0.0,,,,,0.0,0.0,0.0,,0.0,0.0,,,
COc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1,CID2190649,,,,,,,,,0.0,,,,,0.0,,0.0,0.0
COc1ccc(NC(=O)CSc2nc(=O)c(-c3ccccc3)c(N)[nH]2)cc1,CID989402,,,,,,,,,,,,0.0,,,,,
COc1ccc(OC)c(NC(=O)CSc2nc(=O)c(-c3ccccc3)c(N)[nH]2)c1,CID989407,,0.0,,,0.0,,,,,,0.0,,,,,0.0,
CC(=O)c1cccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1,CID2223306,,,,,0.0,,0.0,,,,0.0,,0.0,,,0.0,
COC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1,CID2234461,,,,,,,,,,0.0,,,,,,,
Cc1cc(=O)n2nc(N3CCCC(C(=O)NC(C)c4ccccc4)C3)sc2n1,CID9550669,,,,,,0.0,,,,,,,,0.0,,,
COc1cccc(CNC(=O)C2CCCN(c3nn4c(=O)cc(C)nc4s3)C2)c1,CID3238775,,,0.0,0.0,,,,,,,,,,,,0.0,
COC(=O)c1ccc(-c2ccco2)n1Cc1ccccc1Cl,CID9550664,,,,,,,,,,,,,,,0.0,,
O=C(O)c1ccc(-c2ccco2)n1Cc1ccccc1,CID3244737,,,,,,,,0.0,,,,,,,,,
Cc1ccc(-c2nnc3sc(CCc4ccccc4)nn23)cc1,CID1234099,,0.0,,,,,0.0,,,,0.0,,,,,0.0,
Clc1ccccc1-c1nnc2sc(CCc3ccccc3)nn12,CID972298,,,,0.0,,,0.0,,,0.0,0.0,,,,,,
CCCCN(C)CCCNC(=O)c1ccc2c(c1)NC(=O)C(N1CCOCC1)S2,CID3237214,,0.0,0.0,,,,,,,,,,,,0.0,,
COC(=O)c1ccc2c(c1)NC(=O)C(N1CCOCC1)S2,CID3236402,,0.0,,,0.0,,0.0,0.0,,,,,,,,0.0,
FC(F)(F)c1cc(-c2cccs2)nc(-n2cc(Br)cn2)n1,CID3502533,,,,,,,,,,,,,,0.0,,,
Cc1cnn(-c2nc(-c3cccs3)cc(C(F)(F)F)n2)c1,CID3245539,0.0,,,,0.0,,,0.0,,,,,,0.0,,,
COc1cc(OC)cc(-n2nc(C(=O)N3CCC4(CC3)OCCO4)c3ccccc3c2=O)c1,CID3237935,,,0.0,,,,,0.0,0.0,,0.0,,0.0,,,,0.0
COc1cccc(-n2nc(C(=O)N3CCC4(CC3)OCCO4)c3ccccc3c2=O)c1,CID3242286,,,,,,,,0.0,0.0,,,,0.0,,,,
O=C(c1ccco1)N1CCCN(C(=O)c2ccco2)CC1,CID750345,,,,,,,0.0,0.0,,0.0,0.0,,,,0.0,,
Cc1ccc(C(=O)N2CCCN(C(=O)c3ccc(C)o3)CC2)o1,CID753179,,,,,,,0.0,0.0,,,,,0.0,,,0.0,
O=C(NCC1CCCO1)C1CC(=O)N(c2ccc(F)c(Cl)c2)C1,CID4535574,,0.0,,,,0.0,,,,,,,,,,,
Cc1ccc(N2CC(C(=O)NCC3CCCO3)CC2=O)cc1Cl,CID2964306,,0.0,,,,,,,,,,,,,,,0.0
Cc1c(-c2ccccc2)[n+](=O)c2c(n1[O-])CCC2,CID1865699,,,,,,,,,,0.0,,0.0,,,0.0,,
COc1ccc(-c2c(C)n([O-])c3c([n+]2=O)CCC3)cc1OC,CID1582896,,,,,,,,0.0,,,,0.0,,,,,
Cc1c(C=O)cc2c(c1C)OC1(C=C2)N(C)c2ccccc2C1(C)C,CID2881545,,,,,,0.0,,,,,,,,,,,
CN1c2ccccc2C(C)(C)C12C=Cc1cc(O)ccc1O2,CID90866,,,,,,0.0,,,,,,,,,,,
CCOC(=O)C1CCCN(C(=O)c2cc(Nc3ccc(OC)cc3)nc3ccccc23)C1,CID6622065,,,,,,,,,,,0.0,,,,,,
CCOC(=O)C1CCCN(C(=O)c2cc(Nc3ccc(OC)c(OC)c3)nc3ccccc23)C1,CID3241424,,,,,0.0,,,,0.0,0.0,,0.0,0.0,,,,
C/N=C(/Nc1cc(C)nn1-c1ccccc1)c1ccc(F)cc1,CID2322836,,,0.0,,,,,,,,,0.0,,,,0.0,
C/N=C(/Nc1cc(C)nn1-c1ccccc1)c1ccccc1,CID2322839,,,,,,,,,,,,0.0,,,,,
CN(C)S(=O)(=O)c1ccc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1,CID2528982,,,,,,,,,,,,,,0.0,,,
NS(=O)(=O)c1ccc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1,CID3368053,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)c2nc(C(F)(F)F)nc(NCCCN3CCOCC3)c2c1,CID1630686,,,,,,,,,0.0,,,,,,,,
Cc1ccc2ncnc(NCCCN3CCOCC3)c2c1,CID1570586,,0.0,,,,,,,,,,0.0,,0.0,,0.0,
CCc1ccccc1NC(=O)CSC1=C(C#N)C(c2ccc3c(c2)OCO3)C2=C(CCCC2=O)N1,CID660041,0.0,,,,0.0,,,,,,0.0,,,,,,
Cc1ccc(NC(=O)CSC2=C(C#N)C(c3ccc4c(c3)OCO4)C3=C(CCCC3=O)N2)c(C)c1,CID2909919,,,,,0.0,0.0,0.0,0.0,,,0.0,,0.0,,0.0,,
Cc1ccc(C)n1-c1ccc(-c2ccn[nH]2)cc1,CID1474504,,,,,,,,,,,,,,,0.0,,
c1ccn(-c2ccc(-c3ccn[nH]3)cc2)c1,CID3544553,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)cc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)c1,CID935157,,,,,,0.0,,,,0.0,,,,,,,
O=c1ccc2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2o1,CID934951,,,,,,,,0.0,0.0,,,,,,,,0.0
COc1ccc2cc(C(=O)NC3CCCCC3)c(=O)oc2c1,CID935150,,,0.0,,,,,,0.0,,,,,,,,0.0
CCN(C(=O)c1cc2cccc(OC)c2oc1=O)C1CCCCC1,CID720720,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1c(NC(=S)Nc2ccc(Cl)cc2)sc2c1CCN(C)C2,CID1550527,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1c(NC(=S)Nc2ccccc2)sc2c1CCN(C)C2,CID1241200,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-n2c(SCC(=O)NCC3CCCO3)nnc2-c2ccoc2C)cc1,CID648550,0.0,0.0,,0.0,,0.0,,0.0,,,,,,,,0.0,0.0
Cc1ccc(C)c(-n2c(SCC(=O)NCC3CCCO3)nnc2-c2ccoc2C)c1,CID647934,0.0,,,,0.0,,,,,,,,0.0,,,,
O=C(OCc1csc(-c2ccccc2)n1)c1cccs1,CID2115030,,,0.0,,0.0,0.0,,,,0.0,,,0.0,0.0,,,0.0
Cc1ccsc1C(=O)OCc1csc(-c2ccccc2)n1,CID2997521,,,,,0.0,,0.0,,,0.0,,,,,,,
CN1CCc2c(sc3c2c(NCc2ccco2)nc2nnnn23)C1,CID666073,,,0.0,0.0,0.0,,0.0,,,0.0,0.0,,,,0.0,,
CCN1CCc2c(sc3c2c(NCc2ccco2)nc2nnnn23)C1,CID666289,,,,0.0,0.0,,,,,,,,,,,0.0,
O=C(COc1ccc2ccc(=O)oc2c1)Nc1ccc2c(c1)OCCO2,CID2084761,0.0,,0.0,,,,,,,,,,,,,0.0,0.0
CCCc1cc(=O)oc2cc(OCC(=O)Nc3ccc4c(c3)OCCO4)ccc12,CID1297475,,,,,,,,,,0.0,,,,,,,
CC(C)C(c1nnnn1Cc1cccs1)N1CCN(c2ccccc2)CC1,CID653741,0.0,0.0,,,0.0,,,,,,0.0,,,,,0.0,
CCCC(c1nnnn1Cc1cccs1)N1CCN(c2ccc(OC)cc2)CC1,CID647108,0.0,,0.0,,0.0,0.0,,,,,,,,,,0.0,
Cn1c(CN2CCOCC2)nnc1SCC(=O)NC1CCCCC1,CID653745,,0.0,0.0,0.0,,,0.0,0.0,,0.0,,,,,,,
CC1CCCCC1NC(=O)CSc1nnc(CN2CCOCC2)n1C,CID2952245,,0.0,0.0,,,,,0.0,,,,,,,0.0,,
Cc1ncsc1C(=O)Nc1nc2c(s1)CCCC2,CID653744,0.0,,,0.0,0.0,0.0,,,0.0,,,,,,,,
Cc1ncsc1C(=O)Nc1nc2c(s1)CC(C)CC2,CID651104,0.0,,,0.0,0.0,,,,0.0,0.0,0.0,,,0.0,,,0.0
CCOc1cccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(-n4cnnn4)cc3)C2)c1,CID649200,,,,,,,,,,,,,,,,,0.0
COc1cccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(-n4cnnn4)cc3)C2)c1,CID654287,,,,,,,,0.0,,,,,0.0,,,,0.0
CCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)CSc2ncccc2C(=O)O)cc1,CID649203,,,,,0.0,,,,,,0.0,,,,,,
CC1CCN(S(=O)(=O)c2ccc(NC(=O)CSc3ncccc3C(=O)O)cc2)CC1,CID648096,,,,,0.0,,,,,,,,0.0,,,0.0,
CC(C)Oc1ccc(Cn2c(-c3ccco3)n[nH]c2=S)cc1,CID844228,,,,,,,,,,,,0.0,,0.0,,,
S=c1[nH]nc(-c2ccco2)n1Cc1ccccc1,CID660619,,0.0,,,0.0,,0.0,0.0,,,0.0,,,,,,
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\Nc1ccccn1,CID5291172,0.0,,,0.0,,,0.0,,,,,,,,,0.0,0.0
Cc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(Br)cn3)C2=O)cc1,CID5760438,,,,,,,,,,,,,,,0.0,,
Cc1ccc(S(=O)(=O)NCCOCCNS(=O)(=O)c2ccc(C)cc2)cc1,CID651995,,,0.0,,0.0,,0.0,,,,0.0,,,,,,
O=S(=O)(NCCOCCNS(=O)(=O)c1ccccc1)c1ccccc1,CID2270178,,,0.0,,0.0,0.0,,,,0.0,,,0.0,,,,
O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)NCc1ccccn1,CID1084690,,,,0.0,0.0,,,0.0,0.0,,0.0,,0.0,,0.0,,0.0
Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)NCc1ccccn1,CID2981795,,,0.0,0.0,0.0,,0.0,0.0,0.0,,,,,,,,
Cc1ccc(SCc2[nH]nc3c2C2(C(=O)N(C)c4ccccc42)C(C#N)=C(N)O3)cc1,CID663551,,,,,0.0,,,,,,,,,,,,
N#CC1=C(N)Oc2n[nH]c(CSc3ccccc3)c2C12C(=O)Nc1ccccc12,CID2961995,,,,,0.0,,,,,0.0,,,,,,0.0,
CCC(C)N(CCNC(=O)CC1Oc2ccccc2NC1=O)C1CCCCC1,CID5307648,,,,,,,,,,,,0.0,,,,,
CCC(C)N(CCNC(=O)CC1Oc2ccc(C)cc2NC1=O)C1CCCCC1,CID5309766,,,,,,,,0.0,,,,,,,,,
CN1CCc2nc(SCC(=O)Nc3cccc(F)c3)c(C#N)c(-c3cccs3)c2C1,CID1086274,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC(=O)CSc2nc3c(c(-c4cccs4)c2C#N)CN(C)CC3)cc1OC,CID1086288,,,,,,0.0,,,,,,,,,,,
O=C(CCC(=O)c1cccs1)NCc1ccc(Cl)cc1,CID2379413,,,,,,,,,,0.0,,,,,,,
O=C(CCC(=O)c1cccs1)NCc1ccccc1,CID2161721,,,,,0.0,,0.0,,,,0.0,,,,,,0.0
O=C(C1=CC(c2ccccc2)CC(OCCCCO)O1)N1CCN(Cc2ccccc2)CC1,CID16195796,,,,,,,,,,,,,,0.0,,,
C#Cc1ccc(C2C=C(C(=O)N3CCN(Cc4ccccc4)CC3)OC(OCCCCO)C2)cc1,CID16195846,,,,,,,,,,,,,,,0.0,,
Cc1ccc(CCN2CC(C(=O)NC3CCCC3)CC2=O)cc1,CID3245134,,0.0,,,,,,,0.0,,,,,,,,
O=C(NC1CCCC1)C1CC(=O)N(CCc2ccccc2)C1,CID3236085,,,0.0,,,,,0.0,,,,,,,,,
COc1ccc2noc3c2c1C(=O)c1ccccc1-3,CID774975,,0.0,0.0,,,,,,,,,,0.0,,,,
CCOc1ccc2noc3c2c1C(=O)c1ccccc1-3,CID672470,,,0.0,,,,,,,,,,0.0,,,0.0,
COc1ccc(OCc2cccc(C(=O)N3CCCC3)c2)cc1,CID652314,0.0,,,,,,0.0,0.0,,,,,0.0,,,,
CCOc1ccc(OCc2cccc(C(=O)N3CCCC3)c2)cc1,CID893055,,,,,,,,,,,,,,,0.0,,
CS(=O)(=O)N(CC(=O)N/N=C/c1ccco1)c1ccccc1Br,CID1808634,,,,,,,,,,,,,,0.0,,,
O=C(CNc1ccccc1)N/N=C/c1ccc([N+](=O)[O-])o1,CID1215807,,,,,,,,,,,,,,0.0,,,
O=C(CSc1ccccc1)Nc1nnc(COc2ccc(Cl)cc2)s1,CID2163014,,,,,,,,,,,,,,0.0,,,
Cc1cccc(C)c1OCc1nnc(NC(=O)CSc2ccc(Cl)cc2)s1,CID2948912,,,,,,,,,,,,,,0.0,,,
CCCOc1ccc2oc(=O)c3c(c2c1)CCCN3C(=O)CN1CCN(C(=O)c2ccco2)CC1,CID3243984,,,,,,,,,,0.0,,,0.0,,,,
O=C(c1ccco1)N1CCN(CC(=O)N2CCCc3c2c(=O)oc2ccc(O)cc32)CC1,CID3237512,,,,0.0,,,0.0,,,,,,,,0.0,,
C=CCSc1nc(-c2ccc(OC)cc2)c(C#N)c(=O)n1CC=C,CID2058386,,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2nc(SC)n(C)c(=O)c2C#N)cc1OC,CID694622,,,,,,,,,,0.0,,,,,,,0.0
CCOC(=O)N1CCN(C(=O)/C(=C/c2ccc(OC)cc2)NC(=O)c2ccccc2)CC1,CID5344590,,,,,,,,,,,,0.0,,,,,
CCOC(=O)N1CCN(C(=O)/C(=C/c2ccccc2OC)NC(=O)c2ccccc2)CC1,CID5344654,,,,,,,,,,,,,,0.0,,,
Cc1ccnc(NC(=O)C2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)c1,CID3235981,,0.0,,,0.0,,0.0,,0.0,,,,,,,0.0,
Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)n1,CID3243077,,0.0,,,0.0,,,,0.0,,,,,,,,
O=C(CCl)Nc1nc(-c2ccco2)c(-c2ccco2)s1,CID2385998,,,,,,,,,,,,,,0.0,,,
Nc1nc(-c2ccco2)c(-c2ccco2)s1,CID2428993,,0.0,,0.0,0.0,,,,,,,,,,,,
COC(=O)c1ccc(OC(=O)CCN2c3ccccc3Sc3ccccc32)cc1,CID2395117,,,,,,,,,,,,,,0.0,,,
O=C(CCN1c2ccccc2Sc2ccccc21)Oc1ccccc1,CID2572918,,,,,,,,,,,,,,0.0,,,
O=C(NCC1CCC(C(=O)O)CC1)c1cccnc1,CID663417,,0.0,,,,,,0.0,,0.0,,,0.0,,0.0,,
CSc1ncccc1C(=O)NCC1CCCCC1,CID2572037,,,,,,,,,,,,,,,0.0,,
CCC(=O)N1CCc2cc(S(=O)(=O)NC(C(=O)Nc3cccc(C)n3)C(C)C)ccc21,CID3238392,,,0.0,0.0,0.0,,,,0.0,,,,,,,,
CC(=O)N1CCc2cc(S(=O)(=O)NC(CC(C)C)C(=O)Nc3cc(C)ccn3)ccc21,CID3244707,,,,,0.0,,,0.0,,0.0,0.0,,0.0,,,,
O=C(c1c(O)oc2ccccc2c1=O)C1CCCCC1,CID758254,,,,,,0.0,,,0.0,,0.0,,,0.0,,,
CC1CCC(C(=O)c2c(O)oc3ccccc3c2=O)CC1,CID758257,,,,,,0.0,,,0.0,0.0,,,,0.0,,,
CCCCCn1c(=O)[nH]c2cc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc2c1=O,CID9551471,,,,,,,,,,0.0,,,,,,,
COCCn1c(=O)[nH]c2cc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc2c1=O,CID3245322,,,,,,,,,,,,,0.0,,,,
COc1cccc(-c2noc(Cn3nc(C)c([N+](=O)[O-])c3C)n2)c1,CID851432,,,,,,0.0,,,,,,,,,,,
COc1ccc(-c2noc(C(C)n3nc(C)c([N+](=O)[O-])c3C)n2)cc1OC,CID11841944,,,,,,,,,,,,0.0,,,,,
CCn1cc(C(=O)N2CCCCC2)c2ccccc21,CID3320056,,,,,,,,,,,,,,0.0,,,
Cn1cc(C(=O)N2CCCCC2)c2ccccc21,CID3737444,,,,,,,,,,,,,,0.0,,,
CCN(CC)CCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=O)Nc1ccc(F)cc1,CID646467,,,,,,0.0,,,0.0,,,,,,,,
CCN(CC)CCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=O)Nc1ccccc1,CID650323,0.0,,,,,,,0.0,0.0,,,,,,,,0.0
CCC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)NC3CCCc4ccccc43)ccc21,CID3244799,,0.0,,,0.0,,,,,,,,,,,,
CC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)NC3CCCc4ccccc43)ccc21,CID3239860,,,,,0.0,,,,0.0,,0.0,,,,0.0,0.0,
CCn1c(SCC(=O)Nc2cc(C)on2)nnc1-c1ccc(S(=O)(=O)N2CCCC2)cc1,CID644820,,0.0,0.0,0.0,,,,,,,0.0,,,0.0,,0.0,
Cc1cc(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)n2C)no1,CID655906,,,0.0,0.0,,,,,,0.0,,0.0,,,,,
O=C(Cn1nc(-c2cccc(Cl)c2)ccc1=O)Nc1ccc(C(=O)NC2CC2)cc1,CID3224567,,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(C(=O)NC4CC4)cc3)n2)cc1OC,CID3224556,,,,,,0.0,,,,0.0,0.0,0.0,,,,,
COCCNC(=O)Cn1cnc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2c1=O,CID3240421,,,,0.0,,,0.0,,,,,,,,,0.0,0.0
CCOC(=O)CNC(=O)Cn1cnc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2c1=O,CID3245220,,,0.0,,,,,0.0,,,,,,,,,0.0
CCOC(=O)c1ccc(NC(=O)Nc2nc(-c3ccccc3)cs2)cc1,CID1184753,,,,,,0.0,,,,,,,,,,,
CC(=O)Nc1ccc(-c2csc(NC(=O)Nc3ccccc3)n2)cc1,CID2554360,,,,,,,,,,,,,,0.0,,,
COC(=O)c1cc(COc2ccc3oc(C)c(C(=O)OC)c3c2)c(C)o1,CID988715,,,,0.0,,,,,,,,,,,,,
COCCOC(=O)c1c(C)oc2ccc(OCc3cc(C(=O)OC)oc3C)cc12,CID648323,,,,,,,,0.0,,,,,,,,,
O=C(c1ccccc1Oc1nnnn1-c1ccccc1)N1CCOCC1,CID1295214,,0.0,,0.0,,,,,,,,,,,,0.0,
NC(=O)c1ccc(-n2nnnc2Oc2ccccc2C(=O)N2CCOCC2)cc1,CID1251073,,0.0,,,,,,,,,,,,,,,
COc1ccc(C2C(C(=O)NCc3ccccn3)c3ccccc3C(=O)N2C)cc1OC,CID3239693,,,0.0,,0.0,,,,0.0,,,0.0,,,,,
COc1ccc(C2C(C(=O)NCc3ccccn3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1,CID3241139,,,,,0.0,,,,0.0,,,,0.0,,,,
Cc1oncc1-c1csc(-c2ccccc2Cl)n1,CID1479633,,,,,,,,,,,,,,0.0,,,
Cc1oncc1-c1csc(-c2ccccc2)n1,CID1479634,,,,,,,,,,,,,,,0.0,,
CC(=O)c1cccc(NC(=O)N2CCC(c3nnc(SCC(N)=O)n3C)CC2)c1,CID650390,,0.0,0.0,,,,,,,,0.0,,,,0.0,,
COc1ccccc1NC(=O)N1CCC(c2nnc(SCC(N)=O)n2C)CC1,CID3231962,,,,,,,,,0.0,,0.0,,,,,,
Cc1csc(NC(=O)CSc2nnc(-c3ccoc3C)n2CCc2ccccc2)n1,CID652738,,0.0,,,,0.0,,,,,,0.0,0.0,,,0.0,
Cc1occc1-c1nnc(SCC(=O)Nc2nccs2)n1CCc1ccccc1,CID652746,0.0,0.0,,0.0,0.0,,,,0.0,0.0,0.0,0.0,,,,0.0,
CC1CCC(NC(=O)Cn2ncc3ccccc32)CC1,CID5309121,0.0,,,,,,,,,0.0,,,,,,0.0,
CC1CCCCC1NC(=O)Cn1ncc2ccccc21,CID5308437,,0.0,0.0,0.0,,,,0.0,,,,,0.0,,,,0.0
Cc1ncoc1C(=O)Nc1ccccc1-c1ccccc1,CID3236618,0.0,,,0.0,,0.0,,,,,,0.0,,,,,
Cc1nc(C)c(C(=O)Nc2ccccc2-c2ccccc2)o1,CID3237282,0.0,,0.0,,0.0,,,,,,0.0,,,,,,
COc1cccc(C(C(=O)NCc2ccco2)N(C(=O)Cn2nnc3ccccc32)C2CC2)c1OC,CID651810,,,0.0,,,,0.0,,,,0.0,,,,0.0,,
COc1ccc(OC)c(C(C(=O)NCc2ccco2)N(C(=O)Cn2nnc3ccccc32)C2CC2)c1,CID653471,0.0,,,,,,,,,,0.0,,,,,,
CCc1cccc2c(C(=O)COC(=O)c3c(C)noc3C)c[nH]c12,CID2488127,,,,,,,,,0.0,,,,,,,,
Cc1noc(C)c1C(=O)OCC(=O)c1c[nH]c2ccccc12,CID2539615,,0.0,,0.0,,0.0,,,0.0,,,,,,,0.0,
Cn1c(N)c(C(=O)COC(=O)c2ccco2)c(=O)n(C)c1=O,CID2355109,,,,,,,,,,,,,0.0,,,,
Cn1c(N)c(C(=O)COC(=O)c2ccc(Br)o2)c(=O)n(C)c1=O,CID2449421,,,,,,,,,0.0,,,0.0,,,,,
CC(=O)c1noc(C)c1C(=O)Nc1nccs1,CID4219136,,,,,,,,,,,,0.0,,,,,
CCc1noc(C)c1C(=O)Nc1ncc(C)s1,CID842850,,0.0,,,,,0.0,,,0.0,0.0,,0.0,0.0,,,
CC(=O)N1CCCc2cc(S(=O)(=O)N3CCN(C4CCCCC4)CC3)ccc21,CID3242392,,,,,0.0,,0.0,,,,,,,,,,
CCC(=O)N1CCCc2cc(S(=O)(=O)N3CCN(C4CCCCC4)CC3)ccc21,CID3237271,0.0,,,,0.0,,,0.0,,,,,,,,,
Cc1n[nH]c(C)c1S(=O)(=O)NCCc1ccc(Cl)cc1,CID866894,,0.0,,,,,,,,,,,,,,,0.0
CCOc1ccc(CCNS(=O)(=O)c2c(C)n[nH]c2C)cc1OCC,CID3237955,,0.0,,,0.0,,,,0.0,,,,,,,0.0,
O=S1(=O)N=C2CCCN2C(c2ccc(F)cc2)N1,CID2999138,,0.0,,,,,0.0,,,,,,,,,,
O=S1(=O)N=C2CCCN2C(c2ccc(Cl)cc2)N1,CID2998179,0.0,,0.0,,0.0,,,,,0.0,,,,,,,
Cc1cc(=O)n2nc(-c3ccccc3)sc2n1,CID2835393,,0.0,,,,,,,,0.0,,,0.0,,,,0.0
COc1ccccc1-c1nn2c(=O)cc(C)nc2s1,CID1485813,,,,,,,,,,0.0,,,,,0.0,,
CCOC(=O)C1CCCN(C(=O)Cn2cccc2C(=O)c2ccccc2)C1,CID3243620,0.0,,,,0.0,0.0,,,,,,,,0.0,,,0.0
NC(=O)C1CCN(C(=O)Cn2cccc2C(=O)c2ccccc2)CC1,CID9550674,,,,,,0.0,,,0.0,,,,,,,,
O=C1NC(=O)C2(CCC(C(=O)O)C2)N1,CID3242570,,,,,,,,,,,,,,,0.0,,
O=C(O)CCN1C(=O)NC2(CCCC2)C1=O,CID2998413,,,,0.0,,,,,,,,,0.0,,,,
COc1ccc(-c2oc3ncn4nc(COc5ccccc5)nc4c3c2-c2ccc(OC)cc2)cc1,CID662092,0.0,,0.0,,,,,,,0.0,,,,,,,
COc1ccccc1OCc1nc2c3c(-c4ccccc4)c(-c4ccccc4)oc3ncn2n1,CID1292871,,,,,,,,,,,,0.0,0.0,,,,
O=C(CN1C(=O)CCSc2ccccc21)Nc1ccc2c(c1)OCO2,CID3237486,0.0,0.0,0.0,,0.0,,,,,0.0,,,0.0,,,0.0,0.0
CC1CC(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)c2ccccc2S1,CID3244869,0.0,,0.0,,,,,,,,,,,,,,
COc1ccc(CCNC(=O)CSc2nnc(CNC(=O)c3ccccc3F)o2)cc1OC,CID3237487,,,,,,,,,,0.0,0.0,,,,,,
O=C(CSc1nnc(CNC(=O)c2ccccc2F)o1)NCCc1ccccc1,CID3238173,,0.0,0.0,,0.0,,,,,0.0,0.0,,0.0,,0.0,,
O=C(CN1C(=O)CSc2ccccc21)NC1CCCC1,CID3237484,0.0,,0.0,0.0,0.0,,,,,,,0.0,0.0,,,,0.0
CCC1Sc2ccccc2N(CC(=O)NC2CCCC2)C1=O,CID3240689,,,0.0,,0.0,,,0.0,,,,0.0,,,0.0,0.0,0.0
CCOC(=O)C1CCN(C(=O)CNS(=O)(=O)c2ccc(Br)s2)CC1,CID3237483,,,,,,,,,0.0,,,,,,,,
CCOC(=O)C1CCN(C(=O)CNS(=O)(=O)c2cccs2)CC1,CID3236782,,0.0,,,0.0,,,,,0.0,,,,,,,
O=C1c2ccccc2C(=O)N1CCC(c1ccc(F)cc1)c1ccco1,CID2964469,0.0,,,,,,,,,,,,,,,,
O=C1c2ccccc2C(=O)N1CCC(c1ccccc1)c1ccco1,CID2950586,,,,,,,,,0.0,,,,,,,,
CN(C(=O)COC(=O)COc1ccc(Cl)cc1)C1CCCCC1,CID2356262,,0.0,,0.0,,,,,,,,,0.0,,,0.0,0.0
O=C(COC(=O)COc1ccc(Cl)cc1)NC1CCCCC1,CID2344015,,,,,,,,,,0.0,,,,,,,
CC1(C)CC(=O)C(C(=O)CCCN2C(=O)c3ccccc3C2=O)=C(NC(C)(C)C)C1,CID1505983,,,,,,,,,,,,,,,0.0,,
CC(C)NC1=C(C(=O)CCCN2C(=O)c3ccccc3C2=O)C(=O)CC(C)(C)C1,CID1502576,,,,,,,,,,,,,,0.0,,,
CCCCC1(Cc2ccc([N+](=O)[O-])cc2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O,CID2292515,,,,,,,,,,,,0.0,,,,,
CCCCC1(Cc2cccc([N+](=O)[O-])c2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O,CID1828692,,,,,,,,,,,,0.0,,,,,
CCN1CC(CN(C)Cc2cn(-c3ccc(C)cc3)nc2-c2cccc(C)c2)CC1=O,CID16192479,,,,,,,,,,,,,,0.0,,,
CCN1CC(CNCc2cn(-c3ccc(OC)cc3)nc2-c2ccccc2Cl)CC1=O,CID16189849,,,,,,,,,,,,,,,0.0,,
CCNC(=S)N1CCN(CCNC2=CC(=O)CC(C)(C)C2)CC1,CID804890,,,,,,,,,,,,,,,0.0,,
CC1(C)CC(=O)C=C(NCCN2CCNCC2)C1,CID777230,,,,,,,,,0.0,,,0.0,,,,,
O=[N+]([O-])c1ccc(N2CCNCC2)cc1NCC1CCCO1,CID2933906,,,,,,,,,,,,,,,0.0,,
CC(C)(C)C(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCC3CCCO3)c2)CC1,CID2981191,,,,,,,,,,,,0.0,,,,,
Cc1cc(-c2ccccc2)n2nc(C)c(-c3ccccc3)c2n1,CID754748,,,,,,0.0,,,,,,,,,0.0,,
COc1ccc(-c2c(C)nn3c(-c4ccccc4)cc(C)nc23)cc1,CID744062,,,,,,,,,,,,,,,0.0,,
COc1ccc2c(c1)c1ncn(CCc3ccccc3)c(=O)c1n2C,CID2028125,,,,,,,,,,,0.0,0.0,,,,,
COc1ccccc1CCn1cnc2c3cc(C)ccc3n(C)c2c1=O,CID666140,,,,,,,0.0,0.0,,,,0.0,,,,,
Cc1cc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)no1,CID2083276,,,0.0,0.0,,,,0.0,,,,,,,,,
Cc1cc(NC(=O)COC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)no1,CID2118027,,,,,,,,,,,,,0.0,,,,
CC(/C=N/NC(=O)c1cc(C(C)(C)C)[nH]n1)=C\c1ccccc1,CID1608550,,,,,,,,,,,,0.0,,,,,
Cc1cc(C(=O)N/N=C/C=C/c2cccc([N+](=O)[O-])c2)n[nH]1,CID1936614,,,,,,,,,,,,,,,0.0,,
CC1CCCC=CC2CC(O)CC2C(O)C=CC(=O)O1,CID657314,,,,,,,,,,,,,,,,0.0,
CC1CCCC=CC2CC(O)CC2(O)CC=CC(=O)O1,CID11957469,,,,,,,,0.0,,,,,,,,,
COc1ccc(C2=NOC3C(=O)N(c4ccc5c(c4)OCCO5)C(=O)C23)cc1OC,CID667377,,,0.0,,,,,1.0,,,,,0.0,,,,
COc1cccc(C2=NOC3C(=O)N(c4ccc5c(c4)OCCO5)C(=O)C23)c1OC,CID666976,,,,,,,,0.0,,,,0.0,,,,,
CCOc1cc2[nH]c(=O)n(CCC(=O)N3CC=C(c4ccccc4)CC3)c(=O)c2cc1OCC,CID3244911,,,,,0.0,,0.0,,,,,,0.0,,,,
COc1cc2[nH]c(=O)n(CCC(=O)N3CC=C(c4ccccc4)CC3)c(=O)c2cc1OC,CID9550391,,,,,,,,,,,,,,,0.0,,
Fc1ccc(CNc2cnccn2)cc1,CID3542783,,,,,,0.0,,,,,,,,,,,
c1ccc(CNc2cnccn2)cc1,CID269234,,,,,,,,,,,,0.0,,,,,
N#Cc1sc2nc3c(cc2c1N)CCCC3,CID713661,,,,,,,,,,,,,,0.0,,,
CCCCS(=O)(=O)c1sc2nc3c(cc2c1N)CCCC3,CID2942842,,,,,,,0.0,,,0.0,,,,,,,
Cc1ccc2nc(NC(=O)CSc3ncnc4c3oc3ccccc34)sc2c1,CID2158317,,,,,,,,,,,0.0,,,,,,
O=C(CSc1ncnc2c1oc1ccccc12)Nc1nc2ccccc2s1,CID2054020,,,,,,,,,0.0,,0.0,,,,,,
CCOc1ccc(/C=C/C(=O)Nc2ccc(N3CCOCC3)cc2)cc1,CID1186038,,,,,,0.0,,,,,,,,,,,
O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(N2CCOCC2)cc1,CID2263829,,,,,,,,,,,,,,0.0,,,
O=C1CCCc2nn(-c3ccccc3)c(-c3ccncc3)c21,CID3241417,0.0,0.0,,0.0,,,,,,,0.0,,,,,,
CC1(C)CC(=O)c2c(nn(-c3ccccc3)c2-c2ccncc2)C1,CID752155,,,,,,,,,,,,,,0.0,,,
COc1ccc(N2CCN(C(=O)Cn3nnc(-c4cccs4)n3)CC2)cc1,CID646380,,,,,0.0,,,,,,0.0,,0.0,,,0.0,
COc1ccccc1N1CCN(C(=O)Cn2nnc(-c3cccs3)n2)CC1,CID646274,,0.0,,,0.0,,0.0,,,0.0,,,0.0,,,0.0,
Cc1cc(=O)nc(SCc2csc(-c3ccccc3)n2)[nH]1,CID2338853,,,,,,,,,,,,,,0.0,0.0,,
CCCc1cc(=O)nc(SCc2csc(-c3ccccc3)n2)[nH]1,CID2371736,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)NCc2nnc(SCC(=O)NCc3ccc(F)cc3)o2)cc1,CID3245362,,,,,0.0,,,0.0,,,,,0.0,,,,
COc1cc(C(=O)NCc2nnc(SCC(=O)NCc3ccccc3)o2)cc(OC)c1OC,CID3243293,,,0.0,,0.0,,,0.0,0.0,0.0,,,,,,,
Cc1nn(C(C)(C)C)c(OC(=O)C2CCCC2)c1S(=O)(=O)c1ccccc1,CID3245360,,,,0.0,,0.0,,0.0,0.0,,,,0.0,,0.0,,
Cc1ccc(S(=O)(=O)c2c(C)nn(C(C)(C)C)c2OC(=O)C2CCCC2)cc1,CID3236026,,,,,,0.0,0.0,,,0.0,,0.0,,,,,
COc1ccc2c(c1)c1ncn(CCN3CCCC3)c(=O)c1n2C,CID667011,,,,,,0.0,0.0,0.0,,,,,0.0,,,,
COc1ccc2c(c1)[nH]c1c(=O)n(CCN3CCCC3)cnc12,CID665297,,0.0,0.0,,,,0.0,,,,,0.0,,,,0.0,
O=C(/N=C1\SCC(=O)N1c1ccccc1)c1ccco1,CID1379458,,,,,,,,,,,,0.0,,,,,
O=C(/N=C1\SCC(=O)N1c1ccccc1Cl)c1ccco1,CID1379493,0.0,0.0,0.0,0.0,0.0,0.0,,,,,,,,0.0,,,
COc1nc(-c2ccccc2)ccc1-c1noc(COc2ccccc2)n1,CID1295396,0.0,0.0,0.0,,,,0.0,,0.0,0.0,,0.0,,,,,
CCOc1nc(-c2ccccc2)ccc1-c1noc(COc2ccccc2)n1,CID664774,0.0,,,,,0.0,0.0,,0.0,0.0,0.0,,,,0.0,,
Cc1c(C(=O)N2CCOCC2)[nH]c2c1C(=O)CC(c1ccccc1Cl)C2,CID2972628,,,0.0,0.0,,,,,,,,,,,,0.0,0.0
Cc1c(C(=O)N2CCOCC2)[nH]c2c1C(=O)CC(c1ccc(Cl)cc1)C2,CID2997057,,,,,,,,,,,,0.0,,,,0.0,0.0
O=C(CSc1nnc(-c2ccccc2)o1)OCc1ccccc1,CID720990,0.0,,0.0,,,,0.0,,,,,,,,,,0.0
O=C(CSc1nnc(-c2ccccc2F)o1)OCc1ccccc1,CID644475,,,,,,,0.0,0.0,,,,,,,,,0.0
O=C(N/N=C/c1ccccn1)c1ccco1,CID678527,,,,,,0.0,,,,,,0.0,,0.0,0.0,,
O=C(N/N=C/c1ccccn1)c1ccc(Br)o1,CID803424,,,,,,,,,,,,0.0,,,,,
Cn1c(=O)c2nc(Cl)n(Cc3ccc(Cl)cc3Cl)c2n(C)c1=O,CID659751,0.0,,,,,,0.0,,,,,,,,,,
Cc1nc2c(=O)n(C)c(=O)[nH]c2n1Cc1ccccc1,CID662013,,,,0.0,,,,,,,,0.0,,0.0,,,
O=C(CSc1ccc2nnc(-c3ccc(Cl)cc3)n2n1)N1CCCC1,CID5310502,,,,,,,0.0,,,,,,,,,,
COc1ccc(-c2nnc3ccc(SCC(=O)N4CCCC4)nn23)cc1,CID5310210,,0.0,,,,,,,,,,,,,,,
CSc1nnc(Cn2c(=O)sc3ccccc32)n1CCc1ccccc1,CID5308153,0.0,,,,,0.0,0.0,,,0.0,,,,,,,
NC(=O)CSc1nnc(Cn2c(=O)sc3ccccc32)n1CCc1ccccc1,CID5308352,0.0,0.0,0.0,,,,,,,,,,,,,,0.0
CC(=O)c1sc2nc(SCC(=O)N3CCCCC3)[nH]c(=O)c2c1C,CID2222525,0.0,,,0.0,0.0,,,,0.0,1.0,0.0,,,,,,
Cc1sc2nc(SCC(=O)N3CCCCC3)[nH]c(=O)c2c1C,CID654438,0.0,,0.0,,0.0,,,,0.0,0.0,0.0,,,0.0,0.0,,
C/C(=N\O)C(=O)C(CN1CCCCC1)CN1CCCCC1,CID6419294,,,,,,,,0.0,,,,,,,,,
OC(CN1CCCCC1)CN1CCCCC1,CID411284,,,,,,,,,,0.0,,0.0,,,0.0,,
CCN1CCc2c(C#N)c(N3CCCCC3)nc(N3CCOCC3)c2C1,CID658400,,,,,,,,0.0,,,,,,,,,
CN1CCc2c(C#N)c(N3CCCCC3)nc(N3CCOCC3)c2C1,CID657712,,,0.0,,,,,0.0,,,,,,,,,
COCC(C)n1c(C)cc(C(=O)COC(=O)c2ccc3ncsc3c2)c1C,CID2998148,,,,0.0,,,0.0,,0.0,0.0,,,,,,,
COCCn1c(C)cc(C(=O)COC(=O)c2ccc3ncsc3c2)c1C,CID2107652,,,,,,,,,0.0,0.0,,,,,,0.0,
O=C(Nc1ccccc1F)C1CCN(C(=O)Cc2ccccc2)CC1,CID804133,,,,,,,,,,,0.0,0.0,,,,,
O=C(Nc1cccc(F)c1)C1CCN(C(=O)Cc2ccccc2)CC1,CID1331690,,,,,,,0.0,,,,,,,,,,
CCn1cc(CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cn1,CID2931071,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)c(S(=O)(=O)N(C)Cc2cnn(C)c2)c(C)c1,CID896677,,,,,,,0.0,,,,,,0.0,,,,
Cc1c(CN2CCC(C)CC2)c(=O)n(-c2ccccc2)n1C,CID743370,0.0,,,,,0.0,,0.0,,,,0.0,,,,0.0,0.0
Cc1c(CN2CCCCC2C)c(=O)n(-c2ccccc2)n1C,CID2818789,,,,,,,0.0,,,,,,,,,0.0,
O=C(COc1ncnc2ccccc12)NC1CCS(=O)(=O)C1,CID2999815,,,0.0,0.0,,,0.0,,,,,,,,,0.0,0.0
CCN(C(=O)COc1ncnc2ccc(Br)cc12)C1CCS(=O)(=O)C1,CID2998405,,,,,,,,,0.0,,,,,,,,0.0
COc1ccc(CCNC(=O)CS(=O)Cc2nc(-c3cccs3)oc2C)cc1OC,CID3243585,,,,0.0,0.0,0.0,0.0,,,,,,,,,,
Cc1oc(-c2cccs2)nc1CS(=O)CC(=O)NCCc1ccccc1,CID5308329,,,,,,0.0,,,,,,,,,,,
CC(CCc1ccccc1)NC(=O)CN1CCN(Cc2ccc(Cl)cc2)C1=O,CID9550157,,,,,,0.0,,,,,,,,,,,
CC(CCc1ccccc1)NC(=O)CN1CCN(Cc2ccccc2)C1=O,CID3239633,,0.0,,,0.0,,,,,0.0,0.0,0.0,,,0.0,,
Cc1ccc(S(=O)(=O)c2c(C)nn(C(C)(C)C)c2OC(=O)c2cccs2)cc1,CID3236657,,0.0,,,,0.0,,,0.0,0.0,,,,,,0.0,
Cc1nn(C(C)(C)C)c(OC(=O)c2cccs2)c1S(=O)(=O)c1ccccc1,CID2201674,,0.0,0.0,0.0,0.0,,,,0.0,0.0,,,,,,,0.0
CCOC(=O)N1CCN(C(=O)CCn2nc(-c3ccc(Cl)cc3)ccc2=O)CC1,CID3236650,0.0,,0.0,,,0.0,0.0,,,,,,,,,,
CCOC(=O)N1CCN(C(=O)CCn2nc(-c3ccccc3)ccc2=O)CC1,CID3236640,,,,0.0,,,,,0.0,,0.0,,,,,,
O=C1C(=CNCc2ccncc2)C(=O)c2ccccc21,CID869087,,,,,,,,,,0.0,,,,,,,
CC(NCc1ccncc1)=C1C(=O)c2ccccc2C1=O,CID768129,,,,,,,,,,,,,,0.0,0.0,,
O=C(NC1CCCCC1)C(c1ccc2ncccc2c1)N(Cc1ccc(F)cc1)C(=O)c1ccc2c(c1)OCCO2,CID3210614,,,,,,,,,,,,0.0,,,,,
COc1ccc(CN(C(=O)c2ccc3c(c2)OCCO3)C(C(=O)NC2CCCCC2)c2ccc3ncccc3c2)cc1,CID3213541,,,,,,,,,,,,0.0,,,,,
CCOC(=O)C1CCN(c2c(N3CCN(c4ccccc4OC)CC3)c(=O)c2=O)CC1,CID5307220,,0.0,,,,,,,,,,,,,,,
CCOC(=O)C1CCCN(c2c(N3CCN(c4cccc(Cl)c4)CC3)c(=O)c2=O)C1,CID5307134,0.0,,,,,,,,,,,,,,,,
Cn1c(C(=O)NCCN2CCc3ccccc3C2)cc2c(=O)[nH]c3ccccc3c21,CID3241982,0.0,,,,,0.0,,,0.0,,,,0.0,0.0,,0.0,
Cn1c(C(=O)NCCN2CCc3ccccc3C2)cc2c(=O)n(C)c3ccccc3c21,CID5309909,,,,,,,,,,,,,0.0,,,,
Cc1cc(C)n(C(=O)CCNC(=O)c2ccccc2Br)n1,CID3241980,0.0,,,,,,,,0.0,,0.0,,,,,0.0,0.0
Cc1cc(C)n(C(=O)CCNC(=O)c2ccccc2Cl)n1,CID1080075,,,,,,,,,,,,,,,0.0,,
Cc1ccc(NC(=O)N(Cc2ccco2)C(C)c2ccco2)cc1C,CID3245519,0.0,,,,,,,,,,,,,,,,
CC(c1ccco1)N(Cc1ccco1)C(=O)Nc1ccccc1,CID3244728,,,,,,,,0.0,,,,,,,,,
CCC(=O)NC(C)C(c1cccs1)N1CCOCC1,CID3245518,,,0.0,0.0,0.0,,,0.0,,,,,0.0,,,,
CC(C)C(=O)NC(C)C(c1cccs1)N1CCOCC1,CID3235708,,0.0,,,0.0,,,,,,,,,,,,
O=C(CCC1CCCC1)Nc1ccc([N+](=O)[O-])cn1,CID2931891,,,,,,,,,,,,,,0.0,0.0,,
O=C(CCC1CCCC1)Nc1ccc(Br)cn1,CID599999,0.0,,,,,,0.0,,0.0,,,0.0,,,0.0,0.0,0.0
O=C(c1cc(-c2ccncc2)nc2ccccc12)N1CCN(c2ccccn2)CC1,CID3240292,,,0.0,,,,,,,,,,,,,,
O=C(c1cc(-c2ccncc2)nc2ccc(Br)cc12)N1CCN(c2ccccn2)CC1,CID1261668,0.0,,,,,,,,0.0,,,,,,,,
CC(C)CC(NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc(Br)cn1,CID2875556,,,,,,,,,,,,0.0,,,,,
COc1cc(C(=O)NCC(=O)OC(C)C(=O)Nc2ncc(Cl)cc2Cl)cc(OC)c1OC,CID4005517,,,,,,,,,,,,,,0.0,,,
COC(=O)C1CCN(C(=O)C2CCCCC2)CC1,CID798678,,,,,,,0.0,,,,,,0.0,0.0,0.0,0.0,
CCOC(=O)C1CCN(C(=O)C2CCCCC2)CC1,CID808378,,,,,,,0.0,,0.0,,0.0,,0.0,0.0,,,
Cc1cccc(C)c1NC(=O)CSCc1cccc(CSCC(=O)Nc2c(C)cccc2C)n1,CID1281682,,,,,,,,,,0.0,,,,,,,
O=C(CSCc1cccc(CSCC(=O)Nc2ccccc2)n1)Nc1ccccc1,CID2222828,,,,,,0.0,,,0.0,0.0,,,,,,,
O=S(=O)(c1cccc(-c2nnc(SCc3ccc(Cl)cc3)o2)c1)N1CCCCC1,CID2366220,,,,,0.0,,,,0.0,,,,0.0,,,,
N#Cc1ccc(CSc2nnc(-c3cccc(S(=O)(=O)N4CCCCC4)c3)o2)cc1,CID2389861,,0.0,,0.0,,,,,,,,,,,,,0.0
Cc1ccc(Sc2ncccc2COC(=O)Nc2ccccc2)cc1,CID3748097,,,,,,0.0,,,,,,,,,,,
Cc1ccc(Sc2ncccc2COC(=O)Nc2ccccc2C)cc1,CID3750713,,,,,,,,,,,,,,0.0,,,
CC(C)CCn1c(N)c(C(=O)OCC2CCCO2)c2nc3ccccc3nc21,CID664920,,,,,,0.0,0.0,,0.0,,,,,,,,
CCCCn1c(N)c(C(=O)OCC2CCCO2)c2nc3ccccc3nc21,CID663762,,,0.0,,,,,,,,,,0.0,,,,
COc1ccc2[nH]cc(CCNC(=O)C3CCCNC3=O)c2c1,CID3543999,0.0,0.0,0.0,,,,,0.0,0.0,,,,,,,0.0,0.0
CC(Cc1c[nH]c2ccccc12)NC(=O)C1CCCNC1=O,CID3137656,,,,,,,,,0.0,,,,,,,0.0,
C=CCSC1=N/C(=C\c2sccc2C)C(=O)S1,CID2297964,,,,,,,,,,,,,,0.0,0.0,,
CSC1=N/C(=C\c2ccc(C)s2)C(=O)S1,CID803385,,,,,,,,,,,,,,0.0,,,
O=C(Nc1c(-c2ccccc2)nc2sccn12)c1ccccc1,CID786409,0.0,,,,,,0.0,0.0,,,0.0,,,0.0,,0.0,
Cc1ccc(-c2nc3sccn3c2NC(=O)c2ccc(Cl)cc2)cc1,CID980183,,,,,,0.0,,,,,,,,,,,
COc1ccc2nc(NC(=O)CSc3ccccc3)sc2c1,CID807887,,,,,,0.0,,,,0.0,,,,0.0,,,
CCOc1ccc2nc(NC(=O)CSc3ccccc3)sc2c1,CID963375,,,,,,,,,,0.0,,,,0.0,,,
CCOC(=O)CSc1nnc(CCc2nc3ccccc3[nH]2)n1C,CID647960,,0.0,,,,,,,0.0,,,,0.0,,,,
COC(=O)CSc1nnc(CCc2nc3ccccc3[nH]2)n1C,CID655900,,0.0,0.0,,,,,0.0,0.0,0.0,0.0,,,,,0.0,
COc1ccc(-c2cc3ccc(OCc4nn[nH]n4)cc3oc2=O)cc1OC,CID666789,,,0.0,,,0.0,,0.0,,,,0.0,,,,,
COc1ccc(-c2cc3ccc(OCc4nn[nH]n4)cc3oc2=O)cc1,CID667285,,,,,,,,0.0,,,,0.0,0.0,,0.0,,
Cc1cccc2cc(CN(CCN3CCCC3)C(=O)NC3CCCCC3)c(=O)[nH]c12,CID655059,0.0,,,,,,,0.0,0.0,,,,,,,0.0,0.0
CCc1ccc2[nH]c(=O)c(CN(CCN3CCCC3)C(=O)NC3CCCCC3)cc2c1,CID644647,0.0,,,,,0.0,,,0.0,0.0,,,,,,0.0,0.0
COc1cc2c(cc1NC(=O)CN1CCN(S(=O)(=O)c3ccc(F)cc3)CC1)oc1ccccc12,CID3245960,,0.0,,,,,,0.0,,,,,,,,,0.0
COc1cc2c(cc1NC(=O)CN1CCN(S(=O)(=O)c3ccccc3F)CC1)oc1ccccc12,CID4965560,,,,,,0.0,,,,,,,,,,,
CCOCCCN1CC(C(=O)NCCc2ccccc2)CC1=O,CID3245966,,,,,,,,0.0,,,0.0,,,,,,
CCOCCCN1CC(C(=O)NCCc2ccc(C)cc2)CC1=O,CID3240267,,0.0,0.0,,0.0,,,,0.0,0.0,,,0.0,,,,
Cc1cccc(NC(=O)c2ccoc2C)n1,CID1223765,,,,,,,,,,,,0.0,,,,,
Cc1ccnc(NC(=O)c2ccoc2C)c1,CID897579,,,,,,,,,,,,,,,0.0,,
O=c1c2ccccc2nc(CSc2nnnn2-c2ccccc2)n1-c1ccccc1,CID1067741,0.0,0.0,,,,,,,,,0.0,,,,,,
CCc1ccc(-n2c(CSc3nnnn3-c3ccccc3)nc3ccccc3c2=O)cc1,CID1042363,,,,,,,,,,,0.0,,,,,,
COc1ccc(S(=O)(=O)N/N=C/c2ccc3c(c2)OCO3)cc1,CID795728,,,,,,,,,,,,,,,0.0,,
O=S(=O)(N/N=C/c1ccc2c(c1)OCO2)c1ccc(Cl)cc1,CID696656,,,,,,,,,,,,,,,0.0,,
CCc1ccc(OCCCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1,CID1564986,,,,,,,,,,,,0.0,,,,,
Cc1cccc(OCCCC(=O)Nc2ccc(N3CCCCC3)cc2)c1,CID1565313,,,,,,,,,,,,0.0,,,,,
O=C(Cc1ccccc1)Nc1nc(-c2cccs2)cs1,CID2102328,,,,,0.0,0.0,0.0,,,,,,0.0,0.0,,,
O=C(Cc1ccccc1F)Nc1nc(-c2cccs2)cs1,CID2080859,,0.0,,,0.0,,0.0,,,0.0,,,,0.0,,,
O=C(CSc1ccc(-c2ccc(Cl)cc2)nn1)Nc1ccc2c(c1)OCCO2,CID7205771,,,,,,,,,,,,,,0.0,,,
O=C(CSc1ccc(-c2ccc(F)cc2)nn1)Nc1ccc2c(c1)OCCO2,CID7206179,,,,,,,,,,,,,,,0.0,,
CCOc1ccc2nc(N3CCC(C(=O)N4CCN(c5ncccn5)CC4)CC3)sc2c1,CID5309519,0.0,,,,,,,0.0,,,,,,,,0.0,
Cc1cc(C)c2nc(N3CCC(C(=O)N4CCN(c5ncccn5)CC4)CC3)sc2c1,CID3244861,,,,,0.0,,,,,,,,,,,,
COc1cc2c(cc1NC(=O)Cc1ccc(C)cc1)oc1ccccc12,CID2943829,,,,,,,,,,,,,,0.0,,,
COc1ccccc1CC(=O)Nc1cc2oc3ccccc3c2cc1OC,CID2641006,,,,,,,,,,,,,,0.0,,,
CCn1c(CNc2nc3ccccc3n2C(C)C)nc2ccccc21,CID930979,,,,,,,,,,,,0.0,,,,,
Cn1c(CNc2nc3ccccc3n2C)nc2ccccc21,CID715184,,0.0,0.0,,,,0.0,0.0,,,,,,,0.0,,
COc1ccc(CNC(=O)C2CC(=O)N(c3ccc(OCC(=O)N4CCCCC4)cc3)C2)cc1,CID2968694,0.0,,,,,,,0.0,0.0,,0.0,,0.0,,,,
COc1ccc(CNC(=O)C2CC(=O)N(c3ccc(OCC(=O)N4C(C)CCCC4C)cc3)C2)cc1,CID2947094,,,,,,,,,,,,,0.0,,,,
CCc1cccc(C)c1NC(=O)C(c1ccc(O)cc1)N1CCC1=O,CID4216560,,,,,,,,,,,,,,0.0,,,
Cc1cccc(C)c1NC(=O)C(c1ccccc1)N1CCC1=O,CID5135852,,,,,,,,,,,,,,,0.0,,
CCC(=O)c1c(OCc2ccccc2)ccc2c(C)cc(=O)oc12,CID904800,,,,,,,,,,,,,,0.0,,,
CCCc1cc(=O)oc2cc(OCc3cccc(OC)c3)c(Cl)cc12,CID1330216,,,,,,,,,,,,,,0.0,,,
CCOC(=O)N1CCN(CC(=O)c2ccc3c(c2)CCN3)CC1,CID3242746,,0.0,,,,0.0,,0.0,,,,,0.0,,,,0.0
CCOC(=O)N1CCN(CC(=O)c2ccc3c(c2)CCN3C(C)=O)CC1,CID5307749,,,,,,,,,,,,,0.0,,,,0.0
O=C(NCc1ccc2c(c1)OCO2)c1cccc(N2CCCC2=O)c1,CID3242740,0.0,,,,,0.0,,,0.0,,0.0,,0.0,,,,
Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1N1CCCC1=O,CID5307940,0.0,,,,,,,0.0,,,,,0.0,,,,
N#C/C(=C1/CCCCCN1)c1nc2ccccc2[nH]1,CID2999565,,0.0,0.0,,,,0.0,,,,,,0.0,,,0.0,
Cn1c(/C(C#N)=C2/CCCCCN2)nc2ccccc21,CID2998257,,0.0,,,,0.0,,,,,,,0.0,,,,
CCOC(=O)c1ccccc1NC(=O)Cn1c(-c2nonc2N)nc2ccccc21,CID3241211,,,,,,,,,,,,,,,0.0,,
COC(=O)c1ccccc1NC(=O)Cn1c(-c2nonc2N)nc2ccccc21,CID1505224,,,0.0,0.0,,,,,,,,,,,,,
O=C(COc1ccccc1Cl)NC(=S)N1CCc2ccccc21,CID833356,,,,,,0.0,,,,,,,,0.0,,,
O=C(COc1ccccc1)NC(=S)N1CCc2ccccc21,CID833395,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)s1,CID2552718,,,,,,,,,,,,,0.0,,,0.0,
Cc1ccsc1C(=O)OCC(=O)N1CC(=O)Nc2ccccc21,CID2410738,,,,0.0,,0.0,0.0,0.0,,,,,,,,0.0,
O=C(NCCCN1CCCC1=O)c1cccnc1,CID2225136,,,0.0,,,,,,0.0,,,,,,,,
O=C(NCCCN1CCCC1=O)c1cncc(Br)c1,CID2532950,0.0,,,,,,,,0.0,,0.0,0.0,,,0.0,0.0,
COc1ccc2c(c1)c(C(O)CN1CCN(Cc3ccc4c(c3)OCO4)CC1)c(C)n2C,CID659657,,,0.0,0.0,,0.0,,,,,,0.0,,,,,0.0
Cc1c(C(O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc2n1C,CID663848,0.0,,,,,,,,,,,0.0,,,,,0.0
CC1CN(c2nc3ccccc3nc2C(C#N)C(=O)NC2CCCCC2)CC(C)O1,CID659656,,,,,,0.0,0.0,,,,,,,,,,
N#CC(C(=O)NC1CCCCC1)c1nc2ccccc2nc1N1CCOCC1,CID659482,,,0.0,0.0,,,,,,0.0,,,,,,,
Cc1cc(OCC(=O)c2ccc(Br)cc2)ccc1N1C(=O)CCC1=O,CID2223997,,,,,,,,,0.0,,,,,,0.0,,
Cc1cc(OCC(=O)c2ccc(F)cc2)ccc1N1C(=O)CCC1=O,CID1248600,,,,,,,,,,,,,,,,,0.0
Cc1nc2nc(CCc3ccccc3)nn2c(C)c1Cl,CID1266413,,,,,,0.0,,,,,,,,,,,
Cc1cc(C)n2nc(CCc3ccccc3)nc2n1,CID1253111,,,,,,,,,0.0,,,0.0,,,0.0,,
Brc1nnc2n1-c1ccccc1Sc1ccccc1-2,CID827103,,,,,,,,,0.0,,0.0,,,,,,
c1ccc2c(c1)Sc1ccccc1-n1cnnc1-2,CID827102,,,,,,,,,,0.0,,,,,,,
S=C1Nc2ccccc2Sc2ccc(Cl)cc21,CID827108,,,,,,,,,,,,,,0.0,0.0,,
S=C1Nc2cc(Cl)ccc2Sc2ccccc21,CID827106,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc2nc(SCC(=O)Nc3ccc(S(=O)(=O)Nc4onc(C)c4C)cc3)[nH]c2c1,CID1825598,,0.0,,,0.0,,,,,,,0.0,,,,,0.0
Cc1noc(NS(=O)(=O)c2ccc(NC(=O)CSc3nc4ccccc4[nH]3)cc2)c1C,CID1990158,,0.0,,0.0,0.0,,,,0.0,,,0.0,0.0,,,0.0,0.0
Cn1c(SCC(=O)N2CCOCC2)nnc1-c1cccc(NC(=O)c2ccccc2)c1,CID664335,0.0,,,,,,,,,,0.0,,,,,0.0,0.0
Cn1c(SCC(=O)N2CCOCC2)nnc1-c1cccc(NC(=O)c2ccccc2F)c1,CID661319,0.0,,,0.0,,,,,,,0.0,,,,0.0,0.0,0.0
COc1ccc(/C=N/Nc2nc3ccccc3o2)cc1OC,CID3111005,,,,,,,,,,,,0.0,,,,,
COc1cc(/C=N/Nc2nc3ccccc3o2)cc(OC)c1OC,CID2878122,,,,,,,,,,,,0.0,,,,,
CCO/C(O)=C1/C(=O)C(=O)N(c2ccc(S(N)(=O)=O)cc2)C1c1ccccc1,CID5389266,,,,,,,,,,,,,,,0.0,,
CCO/C(O)=C1/C(=O)C(=O)N(c2ccc(S(N)(=O)=O)cc2)C1c1ccc(OC)cc1OC,CID5390065,,,,0.0,,,0.0,,,,,,0.0,,,,
O=C1CC(c2ccccc2)N2NC(N3C(=O)CCC3=O)=NC2=N1,CID5389265,,,,,,,,,,,0.0,,0.0,,,,
O=C1CC(c2ccc(Cl)cc2)N2NC(N3C(=O)CCC3=O)=NC2=N1,CID5389785,,,,,,,,,,,,,0.0,,,,
O=C(Nc1ccc(Cl)cc1C(=O)NCCN1CCOCC1)c1ccco1,CID991432,,,,,,,,,,0.0,,,,,,,
O=C(Nc1ccccc1C(=O)NCCN1CCOCC1)c1ccco1,CID891769,,0.0,,,,,,,,,,,,,,,
Cc1ccccc1OCC(=O)Nn1c(COc2ccccc2)nc2ccccc2c1=O,CID1858980,,,,,,,,,0.0,0.0,,,,,,,
Cc1cccc(C)c1OCC(=O)Nn1c(COc2ccccc2)nc2ccccc2c1=O,CID1042977,,,,,,,,,0.0,0.0,,0.0,,,,,
Cc1onc(-c2ccccc2)c1-c1n[nH]c(=S)n1-c1ccc(C(=O)O)cc1,CID1840721,,,,,,,,,,,0.0,,,,,,
Cc1onc(-c2ccccc2)c1-c1n[nH]c(=S)n1-c1ccccc1Cl,CID1397551,,,,,,0.0,,,,,0.0,0.0,,,0.0,,
O=C1NC(CCc2ccccc2)C(=O)N1Cc1nnc(-c2ccccc2Br)o1,CID2999998,0.0,,,,,,0.0,,0.0,,,,,,,,0.0
CC1(CCc2ccccc2)NC(=O)N(Cc2nnc(-c3ccccc3Br)o2)C1=O,CID2998151,0.0,,,,,,0.0,,,,0.0,,,,,0.0,0.0
Cc1ccc(-n2c(-c3ccco3)nc3c(cnn3-c3ccc(C)cc3)c2=O)cc1,CID9550876,,,,,,,,,,,0.0,,,,,,
O=c1c2cnn(-c3ccccc3)c2nc(-c2ccco2)n1-c1ccccc1,CID1347913,,,,,,,,,,,,,,,,0.0,
CC(C(=O)/N=c1\sc2ccccc2n1C)N1C(=O)C2CC=CCC2C1=O,CID2999994,,,,,,,,0.0,,,,0.0,,,,,
Cn1/c(=N/C(=O)CN2C(=O)C3CC=CCC3C2=O)sc2ccccc21,CID2999852,,,,,,0.0,,,,,,,,0.0,,,
CN(C(=O)COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1ccccc1,CID2367176,,,,,,,,,,,,,,0.0,,,
O=C(COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)Nc1ccccc1,CID2642214,,,,,,,,,,,,,,0.0,,,
O=C(Nc1nccs1)C(NS(=O)(=O)c1ccc(Br)s1)c1ccccc1,CID3243326,,,,,0.0,,,,0.0,,,,,,,,
Cc1csc(NC(=O)C(NS(=O)(=O)c2ccc(Br)s2)c2ccccc2)n1,CID3239569,,,,,0.0,,,,0.0,,,,,,,,
Cc1ccc(S/C=C\C(=O)c2ccccc2)cc1,CID2245367,,,,,,0.0,,,,,,,,0.0,,,
O=C(/C=C/Sc1ccccc1)c1ccccc1,CID870755,,,,,,,,,,0.0,,,,,,,
COc1ccc(OC)c(NC(=O)c2c3c(nc4ccccc24)CCC3)c1,CID775729,,,,,,0.0,,,,,,0.0,,,,,
COc1cc(NC(=O)c2c3c(nc4ccccc24)CCC3)cc(OC)c1,CID862182,,,,,,,,,,,,0.0,,,,,
CC1=NC(N)=N/C(=C2/C=CC=CC2=O)N1,CID5339937,,,,,,,,,,,0.0,,,,,,
CNC1=N/C(=C2\C=CC=CC2=O)NC(C)=N1,CID5425107,,,,,,,,0.0,,,,,,0.0,,,
COc1cc2c(cc1OC)C(c1ccncc1)CC(=O)N2,CID2982734,,,,0.0,,,,,,0.0,,,,,,,0.0
COc1cc2c(c(OC)c1)C(c1ccncc1)CC(=O)N2,CID3162437,,,,0.0,,,0.0,0.0,,0.0,,,,,,,
CCOC(=O)C1CCCN(C(=O)c2ccc3c(c2)OCO3)C1,CID2904579,,,0.0,,,,0.0,,0.0,0.0,,,,0.0,,,
CCOC(=O)C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1,CID660812,,,,,,,,,0.0,0.0,,,,,,,
CN(C(=O)c1cccc(N2C(=O)C3CC=CCC3C2=O)c1)C1CCCCC1,CID3240311,,,,,0.0,,,0.0,0.0,0.0,,,,,,,
CC1=CCC2C(=O)N(c3cccc(C(=O)N(C)C4CCCCC4)c3)C(=O)C2C1,CID2905275,,,,,0.0,,,,,,,,,,,,
Cc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(c3ccccn3)CC2)c1,CID3240312,0.0,,0.0,,0.0,,,0.0,,,,,,,,,
CCOc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCN(c4ccccn4)CC3)c2)cc1,CID3239411,,,,0.0,,,,,,,,,,,,,
CCCCN(C)C(=O)c1coc(=O)c2ccccc12,CID3240316,,0.0,,,,0.0,,0.0,0.0,,,,,,,,
CCCNC(=O)c1cc2ccccc2c(=O)o1,CID5163330,,,,,,,,,,,,,,,0.0,,
O=C(CCc1ccccc1)Nc1ncc2c(n1)CCCC2=O,CID664228,,0.0,0.0,0.0,,0.0,,,0.0,,,,0.0,,,,0.0
CC1(C)CC(=O)c2cnc(NC(=O)CCc3ccccc3)nc2C1,CID683031,,,,,0.0,,,0.0,0.0,,,0.0,,0.0,,,
Cc1oc2ccc(O)cc2c1-c1ccccc1,CID5346881,,,,,,0.0,,,,,,,,,,,
CCOC(=O)Nc1c(O)ccc2oc(C)c(-c3ccccc3)c12,CID878709,,,,0.0,,,,,,0.0,,0.0,,,,,0.0
Cc1ccc(/S(C)=N/S(=O)(=O)c2ccc(C)cc2)cc1,CID280296,,,,,,0.0,,,,,,,,,,,
CNS(=NS(=O)(=O)c1ccccc1)c1ccc(C)cc1,CID657964,,,,0.0,0.0,0.0,0.0,,,,,,,,,,
Cc1ccsc1CN1CC(=O)N(c2c(C)cccc2C)C1=S,CID4065118,,,,,,,,,,,,,,,0.0,,
Cc1cccc(N2C(=O)CN(Cc3sccc3C)C2=S)c1,CID4062304,,,,,,,,,,,,,,,0.0,,
CN(Cc1c(F)cccc1Cl)C(=O)C1CC(=O)N(CCc2ccccc2)C1,CID4882509,,,,,,,,,,,,,,0.0,,,
O=C(NCc1ccc(F)cc1)C1CC(=O)N(CCc2ccccc2)C1,CID3239601,,,,0.0,,,,,,,,0.0,,,,,
CCc1ccc(N2C(=O)C3ON(c4ccccc4)C(c4ccco4)C3C2=O)cc1,CID664881,,,0.0,,,,,0.0,,,,,,,,,
CCOC(=O)c1ccc(N2C(=O)C3ON(c4ccccc4)C(c4ccco4)C3C2=O)cc1,CID3277741,,,0.0,,,,,0.0,,0.0,,,,,,,
CCn1c(CNc2ccc(OC)cc2)nnc1SCC(=O)c1ccc(OC)cc1,CID647326,0.0,,,,0.0,,0.0,0.0,,,,,,,,,0.0
COc1ccc(NCc2nnc(SCC(=O)c3ccc(OC)cc3)n2C)cc1,CID654433,0.0,,,,0.0,,,,,,,,,,,,
NC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCCC3,CID652226,,,,,0.0,,,,,,,,0.0,,,,
COC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCCC3,CID949348,,,,,,,,,,,,,,0.0,,,
CCOc1ccc2nc(NCCNC(=O)C3CC3)c(C)cc2c1,CID652221,,,,,,0.0,0.0,,,,0.0,,,,,0.0,
Cc1ccc2cc(C#N)c(NCCNC(=O)C3CC3)nc2c1C,CID648434,,0.0,,0.0,,,,,,,,0.0,0.0,,,0.0,
CCOC(=O)c1c(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)sc(C)c1-c1ccc(C)cc1,CID2449412,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1c(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)sc(C)c1-c1ccc(C)cc1,CID2486500,,,,,,,,,,,,,,0.0,,,
O=C(c1ccc(F)cc1)n1ccc(-c2cnc(-c3ccccc3)s2)n1,CID1476731,,,,,,,,,,,0.0,,,,,,
O=C(c1ccccc1)n1ccc(-c2cnc(-c3ccccc3)s2)n1,CID1476749,,,,,,,,,,,,0.0,,0.0,,,
COC(=O)C1=C(C)NC(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C,CID2715909,,,,,,,,,0.0,0.0,,0.0,,,,,
COC(=O)C1=C(C)NC(=O)/C1=C\c1cc(C)n(-c2ccccc2C)c1C,CID1284094,,,,,,0.0,,,0.0,0.0,,,,,,,
Cc1cc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cs1,CID1246425,,,,,,,,,,0.0,,,,,,,
Cc1cc(C(=O)NCc2ccccc2F)cs1,CID1246292,,,,,0.0,,,,,,,,,,,,
CCCCOc1ccccc1/C=c1\sc2nc(-c3oc4ccccc4c3C)nn2c1=O,CID661105,0.0,,0.0,,0.0,,,,,,,,,,,,
C=CCOc1ccccc1/C=c1\sc2nc(-c3oc4ccccc4c3C)nn2c1=O,CID3246798,,,,0.0,0.0,,,,,,,,0.0,,,,
CC(C)C(c1nnnn1Cc1ccc(F)cc1)N1CCN(C2CCCCC2)CC1,CID655799,,,,,,,,,,,,,,,0.0,,
Fc1ccc(Cn2nnnc2CN2CCN(C3CCCCC3)CC2)cc1,CID656030,,,0.0,,,,,,,,,,,,,,
Cn1c(=O)c2c(nc(OCc3cccnc3)n2Cc2ccccc2)n(C)c1=O,CID657788,,0.0,,,,,,0.0,0.0,,0.0,,,,,,
Cn1c(=O)c2c(nc(OCc3cccnc3)n2Cc2c(F)cccc2Cl)n(C)c1=O,CID1288938,0.0,,0.0,,,,0.0,,,,,,0.0,,,,
Cn1nc(-c2ccccc2)c(-c2nc(-c3ccc(Cl)cc3)no2)c1Cl,CID1477463,,,,,,,,,,,,,,0.0,,,
Cn1nc(-c2ccccc2)c(-c2nc(-c3cccc(C(F)(F)F)c3)no2)c1Cl,CID1477461,,,,,,,,,0.0,,,,,,,,
Cc1ccc(C2(C(F)(F)F)NC(=O)N3CCCN=C3S2)cc1,CID2998050,,,,,0.0,,,,,0.0,,,,,,,
O=C1NC(c2ccccc2)(C(F)(F)F)SC2=NCCCN12,CID2999735,,,,,0.0,,,,,0.0,,,,,,,
COc1ccc(Nc2c3c(c(C#N)c4nc5ccccc5n24)CCC3)cc1,CID1077234,,,,,,0.0,,,,,,0.0,,,,,
N#Cc1c2c(c(Nc3ccccc3)n3c1nc1ccccc13)CCC2,CID743374,,,,,,,,,,,,0.0,,,,,
CCc1ccc2c(c1)C1(SC(NC(C)=O)=NN1C(C)=O)C(=O)N2C(C)C,CID3155476,,,,,,,,,,,,0.0,,,,,
CCN1C(=O)C2(SC(NC(C)=O)=NN2C(C)=O)c2cc(C)ccc21,CID3155466,,,,,,0.0,,,,,,,,,,,
Cc1cccc(NC(=S)NNC(=S)NCc2ccccc2)c1,CID971947,,,,,,,,,,0.0,,,,,,,
Cc1ccc(NC(=S)NNC(=S)NCc2ccccc2)cc1,CID2320640,,,,,,0.0,,,,0.0,,,,,0.0,,
CN1C(=O)c2ccc(NC(=O)C3CCCCC3)cc2C1=O,CID2307952,,,0.0,,0.0,,,,0.0,0.0,0.0,,,0.0,,,
O=C1NC(=O)c2cc(NC(=O)C3CCCCC3)ccc21,CID894384,0.0,,,,,,0.0,0.0,,,,,0.0,,,,
CCn1c(SCC(=O)c2ccc(C)cc2)nnc1-c1ccncc1,CID1264528,,,,,,,,,,0.0,0.0,,,,,,
CCn1c(SCC(=O)c2cc(OC)ccc2OC)nnc1-c1ccncc1,CID1264529,0.0,,,0.0,,,,,,,0.0,,0.0,,,0.0,0.0
Nc1cc(C(=O)OCC(=O)N2CCCC2)ccc1Cl,CID2998596,,,,0.0,,,,,,0.0,,,0.0,,,,
COc1cc(C(=O)OCC(=O)N2CCCC2)cc(OC)c1OC,CID2396013,,,,,,,,,,,,,0.0,,0.0,,
Cc1c(C(=O)NCCN2CCOCC2)sc2nc(-c3ccc(F)cc3)cn12,CID3236205,,0.0,,0.0,,,0.0,,,0.0,0.0,,,,,0.0,
COc1ccc(-c2cn3c(C)c(C(=O)NCCN4CCOCC4)sc3n2)cc1,CID3241138,,,0.0,,,,,,,,,,0.0,,,,
O=CN1CCN(C(C(=O)NC2CCCC2)c2ccc(Cl)cc2)CC1,CID3237152,,0.0,,,,0.0,,,,,,,0.0,,,,0.0
CCN1CCN(C(C(=O)NC2CCCC2)c2ccc(Cl)cc2)CC1,CID4995551,0.0,,,,,,,,,0.0,,,,,,0.0,
CC(NCc1cccnc1)=C1C(=O)c2ccccc2C1=O,CID2063368,0.0,0.0,,0.0,,,0.0,0.0,,0.0,,,,,,,
O=C1C(=CNCc2cccnc2)C(=O)c2ccccc21,CID873976,,0.0,,0.0,,,,0.0,,,0.0,,,,,,
O=C(CSCc1c(F)cccc1Cl)NCc1ccco1,CID2227254,,0.0,,,,,,,,,,,0.0,,,,
O=C(CSCc1c(Cl)cccc1Cl)NCc1ccco1,CID2197751,,,,,,,,,,0.0,,,,,,,
NC(=O)CSc1cn(CCNC(=O)c2cccs2)c2ccccc12,CID4625388,,,,,0.0,,,,,,,,,,,,
Cc1cc2ccccc2n1CCNC(=O)c1cccs1,CID4349596,,0.0,,0.0,0.0,,,,,,,,,,,,
Cc1ccccc1OCC(=O)Nc1sc(C(=O)Nc2cccc(C)c2C)c(C)c1C#N,CID1130973,,,,,,0.0,,,,,,,,,,,
Cc1cccc(NC(=O)c2sc(NC(=O)COc3ccccc3)c(C#N)c2C)c1C,CID1130805,,,,,,,,,,,,,,,0.0,,
O=C(CSc1nnc(-c2ccncc2)n1Cc1ccco1)Nc1nccs1,CID3142121,,,,,,,,,,0.0,,0.0,,,,,
CCOC(=O)Cc1csc(NC(=O)CSc2nnc(-c3ccncc3)n2Cc2ccco2)n1,CID648558,,,,0.0,,,,,,,,0.0,0.0,,,0.0,
CSc1nc(C2CC2)cc(-c2cccs2)c1C#N,CID3244032,,,,,0.0,0.0,,,,,,,,,0.0,,
CCSc1nc(C2CC2)cc(-c2cccs2)c1C#N,CID4390626,,,,,,,,,,0.0,0.0,0.0,,,,,
O=C(CCCn1cnc([N+](=O)[O-])n1)Nc1ccc(F)c(Cl)c1,CID5002100,,,,,,,,,,,,,,,0.0,,
Cc1c(Cl)cccc1NC(=O)CCCn1cnc([N+](=O)[O-])n1,CID5002102,,,,,,,,,,,,,,,0.0,,
N#Cc1ccccc1Cn1c(=O)n(Cc2ccc(C(=O)NCc3ccco3)cc2)c(=O)c2ccccc21,CID3242846,0.0,,,,,,,,,,,,,,,,
O=C(NCc1ccco1)c1ccc(Cn2c(=O)c3ccccc3n(Cc3cccc(Cl)c3)c2=O)cc1,CID9550412,,,,,,,,,,0.0,,,,,,,
O=C(NCC1CCCO1)Nc1ccc2c(c1)OCO2,CID6467503,,,,,,,,,,,,,,0.0,,,
CC(NC(=O)Nc1ccc2c(c1)OCO2)C1CCCO1,CID2956456,0.0,,,,,,,0.0,,0.0,,,,,,,0.0
O=C(/C=C1\Nc2ccccc2N(c2ccccc2)C1=O)c1ccccc1,CID5658596,,,,,,,,,,,0.0,0.0,,,,,
O=C(/C=C1\Nc2ccccc2N(c2ccccc2)C1=O)c1ccc(F)cc1,CID6897339,,,,,,,,,,,0.0,,,,,,
Cc1ccc(OCC(=O)NNC(=O)CSc2ncnc3sc(C)c(C)c23)cc1,CID3167528,,,,,,,,,,,,,,,0.0,,
CCc1ccc(OCC(=O)NNC(=O)CSc2ncnc3sc(C)c(C)c23)cc1,CID1735895,,,,,,0.0,,,,,,,,0.0,,,
c1ccc(-c2n[nH]c3c2CCC3)cc1,CID120035,,,0.0,,,,0.0,,,,,,0.0,,,0.0,
Cc1ccc(-c2n[nH]c3c2CCC3)cc1,CID1487126,,,,,,,,,,,,0.0,,,,,
O=C(c1ccco1)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1,CID992692,,,,,,0.0,,,,,,,,,,,
COc1ccc(-c2csc(N3CCN(C(=O)c4ccco4)CC3)n2)cc1,CID1264008,,,0.0,0.0,,,,,,,0.0,,,,,,
CCOc1ccc(-n2c(SCc3nc(-c4cccs4)no3)nnc2-c2ccncc2)cc1,CID1250656,,,,0.0,,,0.0,,,,,0.0,,,,,0.0
Fc1ccc(-n2c(SCc3nc(-c4cccs4)no3)nnc2-c2ccncc2)cc1,CID1250396,,,,0.0,,,,,,,,,,,,,
COc1cc(OC)cc(C(=O)Nc2ccc(-n3cnnn3)c(C)c2)c1,CID653969,,0.0,0.0,0.0,,,,,,,,,0.0,,,,
COc1cc(C(=O)Nc2ccc(-n3cnnn3)c(C)c2)cc(OC)c1OC,CID645959,0.0,,,0.0,,,,0.0,,,,0.0,0.0,,,,
O=C(CN1C(=O)C2CC=CCC2C1=O)Nc1nnc(SCc2ccc(F)cc2)s1,CID3502229,,,,,,0.0,,,,,,,,,,,
N#Cc1ccc(CSc2nnc(NC(=O)CN3C(=O)C4CC=CCC4C3=O)s2)cc1,CID2999366,,,0.0,,0.0,,,,,,,,,,,,0.0
CCN(CC)S(=O)(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)OCCO4)nn2)cc1,CID6411216,,,,,,0.0,,,,,0.0,,,,0.0,,
CN(C)S(=O)(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)OCCO4)nn2)cc1,CID6411215,,,,,,0.0,,,,,,,,,,,
O=C(CSc1nc(-c2ccccc2)cs1)NC(=O)NCc1ccco1,CID2574276,0.0,,,0.0,0.0,,0.0,,0.0,0.0,,,0.0,,,,
O=C(CSc1nc(-c2ccc(F)cc2)cs1)NC(=O)NCc1ccco1,CID2591248,,,0.0,,0.0,,0.0,,,,,,0.0,,,,
CC(C)c1nc(NCc2ccccc2)c(C#N)c2c1CCCC2,CID797798,,,,,,0.0,,,,,,0.0,,,,,
CCCCc1nc(NCc2ccccc2)c(C#N)c2c1CCCC2,CID3534085,,,,,,,,,,,,,,,0.0,,
O=C(NCC(=O)N(c1cccnc1)C(C(=O)NC1CCCC1)c1ccco1)c1cccs1,CID649544,,,,,0.0,,,,,,,,,,,,
Cc1ccc(C(C(=O)NC2CCCC2)N(C(=O)CNC(=O)c2cccs2)c2cccnc2)o1,CID3210958,,,,,,,,,,,,0.0,,,,,
CC(=O)Nc1ccc(Oc2sc(C(=O)c3ccccc3)c(N)c2C#N)cc1,CID1489051,,,,,,0.0,,,,,,,,,,,
Cc1cccc(Oc2sc(C(=O)c3ccccc3)c(N)c2C#N)c1C,CID1489049,,,,,,0.0,,,,,,,,,,,
CCC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)N3CCN(Cc4ccccc4)CC3)ccc21,CID3243487,,,,,0.0,,,,,0.0,,,,,,,
CC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)N3CCN(Cc4ccccc4)CC3)ccc21,CID3237067,,,,,0.0,0.0,,,,,,,0.0,,,,0.0
COc1ccc2nc(NC(=O)CSc3nnc4n3C(C)(C)Cc3ccccc3-4)sc2c1,CID651271,,,,,,0.0,,,,0.0,,,,,,,0.0
CC1(C)Cc2ccccc2-c2nnc(SCC(=O)Nc3nc4ccccc4s3)n21,CID650241,0.0,,,0.0,0.0,,,,,,,,,,,,
COc1ccccc1NC(=O)CC(=O)CSc1nnc(-c2ccc(C)cc2)n1C,CID646896,0.0,,0.0,0.0,,,,,,,0.0,,,,,,0.0
Cc1ccc(-c2nnc(SCC(=O)CC(=O)Nc3ccccc3)n2C)cc1,CID1206697,,,,,,,,,,,0.0,,,,,,
Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(F)cc1,CID5221709,,,,,,0.0,,,,,,,,,,,
Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(F)cc1F,CID4435430,,,,,,,,,,,,,,,0.0,,
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)c2ccc(C)cc2)=C(C#N)C1c1ccco1,CID659465,0.0,0.0,,,,,,,,,,,,,,,
COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)c2ccccc2)=C(C#N)C1c1ccco1,CID655903,,,0.0,,,,,0.0,,,,,0.0,,,,
COc1ccccc1OCCn1cc(C(=O)c2ccco2)c2ccccc21,CID650100,,,,,,,,0.0,,,,,,,,,
COc1cccc(OCCn2cc(C(=O)c3ccco3)c3ccccc32)c1,CID1294232,,,,,,,,0.0,0.0,,,,,,,,
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C2C1CC=CCC1,CID612456,0.0,,0.0,0.0,,,0.0,0.0,,,,,,,0.0,,
N#CC1=C(N)OC2=C(C(=O)CCC2)C1C1CC=CCC1,CID2848884,,,0.0,0.0,,,0.0,0.0,,,,,,,,,0.0
O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccccn1,CID871837,,,,,,0.0,,,,,,,,0.0,,,
Cc1cccc(C(=O)N/N=C/c2ccc3c(c2)OCO3)n1,CID1741838,,,,,,0.0,,,,,,,,0.0,,,
CC(=O)Oc1ccc(/C(C)=N/N2CCN(Cc3cccc4ccccc34)CC2)cc1,CID5347923,,,,,,0.0,,,,,,,,,,,
CCCOc1ccc(/C=N/N2CCN(Cc3cccc4ccccc34)CC2)cc1,CID5347839,,,,,,0.0,,,,,,,,,,,
O=C1NC(=O)C(Cc2cccs2)C(=O)N1,CID2221144,,,,,,,0.0,,,,,,,,,,
Cc1ccc(CC2C(=O)N(C)C(=O)N(C)C2=O)s1,CID2294506,,,0.0,0.0,,,,0.0,,,,,,,,,
CC1=C(C(=O)OC2CCCCCCC2)C(c2ccc(O)cc2)NC(=O)N1,CID2855653,0.0,,,0.0,,,,0.0,,,,,,,,,0.0
CC1=C(C(=O)OC2CCCCCCC2)C(c2cccc(O)c2)NC(=O)N1,CID2854424,0.0,,,,,,,,0.0,,,,,,,,0.0
Cc1nc(NC2=NCN(C3CCCCC3C)CN2)nc2ccccc12,CID663423,,,,,,,,,,,,,,0.0,,,
Cc1ccc2nc(NC3=NCN(C4CCCCC4)CN3)nc(C)c2c1,CID663799,,0.0,,0.0,,,,,,,,,,,,0.0,
COc1ccccc1OCC(=O)NCCNC(=O)COc1ccccc1OC,CID2917455,,,,,0.0,0.0,,,,,0.0,,,,,,
Cc1ccc(C)c(OCC(=O)NCCNC(=O)COc2cc(C)ccc2C)c1,CID1790278,,,,,,,,,0.0,,,0.0,,,,,
Cn1c2c([n+]([O-])c1-c1ccccc1)CCC/C2=N\O,CID657459,0.0,,,,,0.0,0.0,,,,,,,,,0.0,
COc1ccc(-c2n(C)c3c([n+]2[O-])CCC/C3=N\O)cc1,CID657682,0.0,,,,,,0.0,,0.0,,,,0.0,,0.0,0.0,
C=CCN1C(=O)CSc2ccc(C(=O)NCc3ccco3)cc21,CID3245626,0.0,0.0,0.0,,0.0,0.0,,,,,,,,,,,
CCN1C(=O)CSc2ccc(C(=O)NCc3ccco3)cc21,CID3245038,0.0,,,0.0,0.0,0.0,,0.0,,,0.0,,,,,,
CC(=O)OC1CC2(C)C(=O)CCC2C2CCc3cc(O)ccc3C12,CID3245620,,,,,,,,,,0.0,,,,,,,
CC12CCC3c4ccc(O)cc4CCC3C1CCC2=O,CID5870,,,,,,,0.0,,,,,,,,,0.0,
CC1CCCC(NC(=O)C2CCCN2S(=O)(=O)c2cccc3nsnc23)C1C,CID9550239,,,,,,0.0,,,,,,,,,,,
O=C(NC1CCCCC1)C1CCCN1S(=O)(=O)c1cccc2nsnc12,CID3242256,0.0,0.0,,0.0,0.0,0.0,,,,,0.0,,,0.0,,0.0,0.0
CCCn1c(N)c(C(=O)COC(=O)c2c(C)noc2C)c(=O)n(C)c1=O,CID2115012,,,,,,,,,,0.0,,,0.0,,,,
Cc1noc(C)c1C(=O)OCC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O,CID2535671,,,,,,,,0.0,,,,,,,,,
CCN1C(=O)CS/C1=N\c1nccs1,CID1375769,,0.0,,0.0,,,0.0,,,,,,,,,,
C=CCN1C(=O)CS/C1=N\c1nccs1,CID1308338,,,,,0.0,,,,,,,,0.0,0.0,,,
Cc1cccc(NC(=O)CSc2nc(C)c(CC(=O)c3ccc(Br)cc3)c(C)c2C#N)c1C,CID1803037,,,,,,,,,,,,0.0,,,,,
Cc1nc(SCC(=O)Nc2ccc(F)cc2)c(C#N)c(C)c1CC(=O)c1ccc(Br)cc1,CID1025062,,,,,,,,,,,,,,,0.0,,
COc1ccc(CNc2nc3ccccc3n2CCN2CCOCC2)cc1,CID1090114,,,,,,,,,,,,0.0,,,,,
C=CCc1cccc(CNc2nc3ccccc3n2CCN2CCOCC2)c1O,CID1092988,,,,,,,,,0.0,0.0,,,,,,,0.0
Cc1ccc2c(c1)nnn2C1CCN(S(=O)(=O)c2ccc(C(=O)N3C(C)CCCC3C)cc2)CC1,CID645578,0.0,,,0.0,,,,,,,,,,,,0.0,
Cc1ccc2c(c1)nnn2C1CCN(S(=O)(=O)c2ccc(C(=O)N3CC(C)CC(C)C3)cc2)CC1,CID650067,0.0,,,,,,,0.0,,,,,,,,0.0,
Cc1ccc(-n2cc3ccc([N+](=O)[O-])cc3n2)cc1,CID620060,,,,,,,,,,,,,,,0.0,,
O=[N+]([O-])c1ccc2cn(-c3ccccc3)nc2c1,CID555231,,,,,,,,,,,,,,0.0,0.0,,
CC1CC(C)CN(C(=O)c2ccncc2)C1,CID2931540,,,,,,,,,,0.0,,,,,0.0,,
CC1CCCN(C(=O)c2ccncc2)C1,CID2931707,,,,,,,,0.0,,,,,,,0.0,0.0,
Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)NCCCN2CCOCC2)CC1,CID3235876,0.0,,,,0.0,,,,,,,0.0,,,,,
Cc1ccccc1-c1nc(CN2CCC(C(=O)NCCCN3CCOCC3)CC2)c(C)o1,CID3237063,,,0.0,,,,,,,,,,,,,0.0,
CCc1ccc(C(=O)CC2(O)C(=O)N(CN3CCOCC3)c3ccccc32)cc1,CID3240749,,,0.0,,,,,,,,,,,,,,
Cc1ccc(C(=O)CC2(O)C(=O)N(CN3CCOCC3)c3ccccc32)cc1,CID3236175,,,0.0,,,,,0.0,,,,,,,,0.0,
O=C(COC(=O)/C=C/c1ccccc1)Nc1cccc(Oc2ccccc2)c1,CID2489840,,,,,,,,,,,,,,0.0,,,
COc1ccc(/C=C/C(=O)OCC(=O)Nc2cccc(Oc3ccccc3)c2)c(OC)c1,CID2388177,,,,,,,,,,,,,,,0.0,,
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCC3C(=O)NCc3ccccc3)CC2)cc1,CID663027,,,0.0,0.0,0.0,,,,,,,,,,,,
COc1ccccc1CNC(=O)C1CCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1,CID662554,,,,,0.0,,0.0,0.0,,,,,,,,,
Brc1ccc(-c2nc(-c3ccccn3)no2)o1,CID752709,0.0,,,,,,0.0,,0.0,,,,,,,,0.0
c1ccc(-c2noc(-c3ccco3)n2)nc1,CID829955,,,0.0,,,,,0.0,,,,,,,,,
Cc1ccc2nc(N3CCOCC3)c3nncn3c2c1,CID1506064,,0.0,0.0,0.0,,,,0.0,,,,,,,,,
c1ccc2c(c1)nc(N1CCOCC1)c1nncn12,CID878002,,,,,,0.0,,,,,,0.0,,,,,
Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2CCSc1nnnn1-c1ccccc1,CID661398,,,,,,,,,,,,,,,,,0.0
Cn1c(=O)c2c(nc(Br)n2CCSc2nnnn2-c2ccccc2)n(C)c1=O,CID662936,,,,,,,,,,,,,,,,,0.0
COc1ccc(NC2=C(c3ccc(OC)cc3)C(=O)c3ccccc32)cc1,CID1163200,,,,,,0.0,,,,,,,,,,,
COc1ccc(C2=C(Nc3cccc([N+](=O)[O-])c3)c3ccccc3C2=O)cc1,CID1163202,,,,,,0.0,,,,,,,,,,,
CC(C)NC(=O)Cn1nc(C(F)(F)F)c2c1CCC2,CID1129760,,,,,,,,,0.0,,,,,,,,
O=C(O)Cn1nc(C(F)(F)F)c2c1CCC2,CID653577,,,,0.0,,,,,,,,,,,,,0.0
COc1ccc(C(=O)Nn2c(C)nnc2-n2nc(C)cc2C)cc1OC,CID1145711,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)n(-c2nncn2NC(=O)c2ccc(Cl)cc2O)n1,CID2997589,0.0,,0.0,,,,0.0,,,,,,,,,,
CCc1nnc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)o1,CID1090936,,,,,,,,,0.0,,0.0,,,,,,
Cc1nnc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)o1,CID978064,0.0,,,0.0,,,0.0,,,,,,,,,0.0,
O=C(NC1CCS(=O)(=O)C1)N1CCCCC1,CID661573,,,0.0,0.0,,,,,,,,,,,,0.0,
CC1(NC(=O)N2CCCCC2)CCS(=O)(=O)C1,CID2906114,,,,,,0.0,,,,,,,,,,,
Cc1nc(Nc2cccc(C(C)O)c2)c2nnn(Cc3ccccc3F)c2n1,CID3231405,,,,,,,,,,,,,,0.0,,,
Clc1ccccc1Nc1ncnc2c1nnn2Cc1ccccc1,CID656330,0.0,,,,,,0.0,,,,,,,,,,
CCOC(=O)C1=C(C)N/C(=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)C1=O,CID5349313,,,,,,0.0,,,,,,,,,,,
COC(=O)C1=C(C)N/C(=C/c2cc(C)n(-c3ccccc3C)c2C)C1=O,CID6268703,,,,,,0.0,,,0.0,,,,,,,,
Cc1ccc(C2NNC(=O)C2NC(=O)c2ccccc2)cc1,CID4879158,,,,,,,,,,,,,,,0.0,,
O=C(NC1C(=O)NNC1c1ccccc1)c1ccccc1,CID4247911,,,,,,0.0,,,,,,,,,,,
CCOC(=O)/C=c1\sc2n(c1=O)CCN=2,CID659719,,,,,,,,,,,,,0.0,,,,
COC(=O)/C=c1\sc2n(c1=O)CCN=2,CID659674,,,,0.0,,,,,,,,,,,,,
CC1CCCN(C(=O)COC(=O)c2ccc[nH]c2=O)C1,CID4878205,,,,,,,,,,0.0,,,,,,,
CC1CCCC(C)N1C(=O)COC(=O)c1ccc[nH]c1=O,CID2998969,,,,,,,,,,0.0,0.0,,,,,,
Cc1ccc(S(=O)(=O)n2nc(-c3ccc(Cl)cc3)nc2NCc2ccco2)cc1,CID2208067,,,0.0,0.0,0.0,,,,0.0,,,0.0,0.0,,0.0,0.0,
O=S(=O)(c1ccccc1)n1nc(-c2ccccc2)nc1NCc1ccco1,CID1051136,0.0,,,,0.0,,,,,,,,,,,,
CC(C)CNC(=O)COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1,CID2998561,,,,,0.0,,,,,,0.0,,,,,,0.0
CC(C)(C)NC(=O)COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1,CID4834367,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3c(Cl)cnn3C)cc2)cc1,CID1756039,,,,,,,,,0.0,,,,,,,,
Cn1ncc(Br)c1C(=O)N/N=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1,CID1756102,,,,,,,,,0.0,,,,,,,,
CC(C(=O)NCC1CCCO1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(F)c1,CID649862,,,,,,,,,,0.0,,,,,,0.0,
CC(C(=O)NCC1CCCO1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1,CID654835,,,,,,,,,,,,0.0,,,,,
Brc1ccc2nc3c(n2c1)CCCC3,CID717369,0.0,,,,,,,,,,,,,,,0.0,
CC(C)(C)S(=O)(=O)c1ccc2nc3c(n2c1)CCCC3,CID658092,,,,,,,0.0,,,,,,,,,,
CCc1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)N4CCCCC4)c(=O)c3c2)cc1,CID3244620,,,,,,,,,,,,,,,,,0.0
CC(C)c1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)N4CCC(C(N)=O)CC4)c(=O)c3c2)cc1,CID3240405,,,0.0,,0.0,,,0.0,0.0,,,,,,,,
CCn1c(N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)nc2ccccc21,CID646510,,0.0,0.0,,,,,,,,,,0.0,,,,
Cn1c(N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)nc2ccccc21,CID656181,0.0,,,0.0,,,,,,,,,0.0,,,,
COCCNC(=O)CN(C(=O)CCC(=O)Nc1ccccn1)c1ccc(F)c(Cl)c1,CID644919,,,0.0,,,,0.0,,0.0,,,,,,,0.0,
CC(C)NC(=O)CN(C(=O)CCC(=O)Nc1ccccn1)c1ccc(F)c(Cl)c1,CID650102,,,,0.0,,,,,,,,,,,,,0.0
Clc1cccc(-c2nnc(SC/C=C/c3ccccc3)n2Cc2ccco2)c1,CID2030039,,,,,,,,,0.0,,0.0,,,,,,
C(=C/c1ccccc1)\CSc1nnc(-c2ccccc2)n1Cc1ccco1,CID2047549,,,,,,0.0,,,,,,,,,,,
Cc1cccc(OCC(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)c1C,CID4537580,,,,,,,,,,,,,,0.0,,,
O=C(COc1ccc(Cl)cc1)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1,CID1088818,,,,,,0.0,,,,,,,,,,,
Cn1c(-c2ccc3c(c2)OCO3)c(C(=O)O)c(=O)c2ccccc21,CID826234,,,,,,,,,,,,,,,0.0,,
COc1ccc2c(c1)c(=O)c(C(=O)O)c(-c1ccc3c(c1)OCO3)n2C,CID1043976,,,,,,,,,,,,,,,0.0,,
Cc1ccc(OCC(O)CNS(=O)(=O)c2ccccc2C(=O)N2CCCCC2)cc1,CID649081,,,,,0.0,,,0.0,0.0,,,,,,,,
Cc1cccc(C)c1OCC(O)CNS(=O)(=O)c1ccccc1C(=O)N1CCCCC1,CID661480,,,,,0.0,,,0.0,,0.0,0.0,,,,,,0.0
Clc1ccc(Cn2nnc(-c3ccc(CN4CCOCC4)cc3)n2)cc1,CID649087,0.0,,,,,,,,,,,,0.0,,,,
Fc1ccc(Cn2nnc(-c3ccc(CN4CCOCC4)cc3)n2)cc1,CID653359,,,,,,,,,,,,,0.0,,,,
CCOC(=O)CCCn1nc(C)n2c(cc3sccc32)c1=O,CID3237627,,,,0.0,,,,,,,,,,,,,
CCOCCCNC(=O)CCCn1nc(C)n2c(cc3sccc32)c1=O,CID5309658,,,0.0,,,0.0,,,,,,,,,,,
COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)NCCc2ccccc2)cc1,CID3241844,0.0,,,,,,0.0,,,,,,,,,,
Cn1cccc1Cc1nnc(SCC(=O)NCCc2ccccc2)n1-c1ccc(F)cc1,CID5307841,0.0,0.0,,,,,,,,,,,0.0,,,,
CCN1C(=O)CC(n2c(C)nc3ccccc32)C1=O,CID2951509,,,0.0,,,,0.0,,,,,,0.0,,,,
CN1C(=O)CC(n2c(CO)nc3ccccc32)C1=O,CID2951616,,,,,,,,,0.0,,,,0.0,,,,
O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1ccco1,CID645884,,,,,,,0.0,,,,,0.0,,,,,
O=C(Nc1ccc2nc(-c3ccc(Br)o3)[nH]c2c1)c1ccco1,CID665084,0.0,,,,,,,,0.0,,0.0,0.0,,,,0.0,
CCCCNC(=O)Cn1c(-c2ccc(OC)cc2)noc1=O,CID654606,,0.0,0.0,,,0.0,,0.0,0.0,,,,,,0.0,,
N#CCCCn1c(-c2ccccc2)noc1=O,CID645910,,,,,,,,,,0.0,,,,,,,
Cc1ccc(NCc2nnc(SCC(=O)OC3CCCCC3)o2)c(C)c1,CID654608,0.0,,,,0.0,,,,,0.0,0.0,,,,0.0,0.0,
O=C(CSc1nnc(CNc2cccc(Cl)c2)o1)OC1CCCCC1,CID1076604,,,,,,0.0,,,,0.0,,0.0,,,0.0,,
Cn1c(CCc2ccccc2)nnc1SCC(=O)N1CCCC1,CID975559,0.0,0.0,,0.0,,,0.0,0.0,,,,,,,,0.0,
CCCn1c(CCc2ccccc2)nnc1SCC(=O)N1CCCC1,CID2198480,,,,,,,0.0,0.0,,,0.0,,,,,0.0,
CCOC(=O)N1CCC(NC(=O)CN2C(=O)CSc3nc(C)cc(C)c32)CC1,CID5308946,,0.0,,,,,,0.0,,,0.0,,,,,0.0,
CCOC(=O)N1CCC(NC(=O)CN2C(=O)CSc3ncccc32)CC1,CID5307713,,,,0.0,,,,0.0,,,,,0.0,,,,
CCc1nc(NCCN)c(C#N)c2c1CSC(C)(C)C2,CID3713305,,,,,,,,,,,0.0,,,,,,
CCCCc1nc(NCCN)c(C#N)c2c1CSC(C)(C)C2,CID1897631,,,,,,,,,,,0.0,,,,,,
COc1cc(-c2cc(C(=O)O)c3cc4c(cc3n2)OCCO4)cc(OC)c1OC,CID7414337,,,,,,,,,,,0.0,,,,,,
COC(=O)c1ccc(-c2cc(C(=O)O)c3cc4c(cc3n2)OCCO4)cc1,CID3243558,0.0,,,0.0,,0.0,,,,,,,,,,,
COc1ccc(-c2nnnn2C)cc1S(=O)(=O)NCCc1ccccc1,CID1345568,,0.0,0.0,,,,,0.0,,,,,,,,,
CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)NCCc2ccccc2)c1,CID1204217,,,0.0,,,,,,,,0.0,,0.0,,,0.0,
Cc1ccc(C)c2[nH]c(=O)c(C(c3nnnn3Cc3ccco3)N3CCc4ccccc4C3)cc12,CID651967,,,,,,,0.0,,,,,,,,,,
Cc1cc2cc(C(c3nnnn3Cc3ccco3)N3CCc4ccccc4C3)c(=O)[nH]c2cc1C,CID648448,,,,,,,,,,0.0,0.0,,,,,,0.0
O=C(Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O)NC1CCCC1,CID3236269,0.0,,0.0,,,,0.0,,,,,0.0,,,,,
O=C(Cn1cnc2c(nnn2Cc2ccc(F)cc2)c1=O)NC1CCCC1,CID3240769,,0.0,,,,,,,,0.0,,,0.0,,0.0,,
Cn1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)c2ccccc21,CID2009322,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C(=O)NN2C(=O)/C(=C/c3cn(C)c4ccccc34)SC2=S)cc1,CID2019253,,,,,,,,,,,,,,,0.0,,
O=S(=O)(c1ccccc1)C1(S(=O)(=O)c2ccccc2)CCCC1,CID1380165,,,,,0.0,,,,,,,,0.0,,,,
Cc1ccc(S(=O)(=O)C2(S(=O)(=O)c3ccc(C)cc3)CCCC2)cc1,CID1380164,,,0.0,,0.0,,,,,,,,,0.0,,,
O=C(OCC(=O)N1CCOCC1)c1ccc(Cl)nc1,CID2432137,,,,,,,,,,,0.0,,,,,,
CSc1ncccc1C(=O)OCC(=O)N1CCOCC1,CID2334487,,,,0.0,,,,0.0,,,,,,,,,0.0
Cc1ccsc1/C=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1,CID1596458,,,,,,0.0,,,,,,,,,,,
Brc1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)s1,CID1957149,,,,,,,,,,,,0.0,,,,,
Cc1cccc(NC(=O)CCN2C(=O)C3C4C=CC(C4)C3C2=O)n1,CID3237392,,0.0,,,,,,,,0.0,,,,,,,0.0
O=C(CCN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1ccccn1,CID2938296,,,,0.0,,,,,,0.0,,,,,,,0.0
COC(=O)C1C(c2ccccc2)=NN(c2ccccc2)C1C(=O)OC,CID3288617,,,,,,0.0,,,,,,,,,,,
N#CC1CC(c2ccccc2)=NN1c1ccccc1,CID3869572,,,,,,0.0,,,,,,,,,,,
OC(CNCc1ccco1)COc1ccccc1,CID3148954,,,,0.0,0.0,0.0,0.0,,,,,,,,,,
COc1ccc(OCC(O)CNCc2ccco2)cc1,CID2928606,0.0,,,,0.0,,,0.0,,,,,,,,0.0,
Cn1c(SCC(=O)NCc2cccs2)nnc1-c1ccncc1,CID2122157,0.0,0.0,,,0.0,,,,,,,,,,,0.0,0.0
CCn1c(SCC(=O)NCc2cccs2)nnc1-c1ccncc1,CID2618662,0.0,,0.0,0.0,0.0,,0.0,,0.0,0.0,,,,,,0.0,
O=C(NCc1ccco1)c1nc2ncccn2n1,CID821828,,0.0,0.0,0.0,,,,,0.0,,,,0.0,,,,
Cc1cc(C)n2nc(C(=O)NCc3ccco3)nc2n1,CID2238690,,0.0,,,,,0.0,,,,,0.0,0.0,,,,
O=C(O)CC(C(=O)OC1CCCCC1)N1CCOCC1,CID2942977,,,,,,,,0.0,,,,,,,,,
CC(C)(C)C1CCC(OC(=O)CN2CCOCC2)CC1,CID950349,,,,,,0.0,,,,,,,,,,,
COc1ccc(-c2nnc(SCCOc3cccc(C)c3)n2N)cc1,CID2524675,0.0,0.0,,,0.0,,,,,,0.0,,,,,,
COc1ccc(OCCSc2nnc(-c3ccccc3)n2N)cc1,CID654083,,0.0,,,0.0,0.0,0.0,,,,,,,,,,0.0
CCOc1cccc(C(=O)Nc2nnc(-c3ccco3)s2)c1,CID743416,,0.0,0.0,,0.0,0.0,0.0,,,,,,0.0,0.0,,,
O=C(Nc1nnc(-c2ccco2)s1)c1ccccc1,CID811287,0.0,0.0,,0.0,0.0,,0.0,,,,0.0,,,,,,
O=c1c2ccccc2[nH]c(=S)n1Cc1cccnc1,CID710792,,,,0.0,,,,,,0.0,0.0,,0.0,,,,0.0
O=c1c2ccc(Cl)cc2[nH]c(=S)n1Cc1cccnc1,CID4305845,,,,,,0.0,,,,,,,,,,,
COCCn1nnnc1CN(CCCN1CCOCC1)Cc1cc2c(C)ccc(C)c2[nH]c1=O,CID652939,,0.0,,,,,,,,,,,,,,,
Cc1cccc2cc(CN(CCCN3CCOCC3)Cc3nnnn3C(C)(C)C)c(=O)[nH]c12,CID650537,,,0.0,,,,,,,0.0,0.0,,,,,,
CC(c1ccccc1)n1cc(C(=O)NCc2cccnc2)nn1,CID652936,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C(C)n2cc(C(=O)NCc3cccnc3)nn2)cc1,CID650396,,0.0,,,,,,0.0,,,0.0,,,,,,
Cc1ccc(C(C(=O)NC2CCCCC2)N(CCC(C)C)C(=O)CNC(=O)c2ccco2)o1,CID654194,,,,,,,,,0.0,,,0.0,,,,,0.0
CC(C)CCN(C(=O)CNC(=O)c1ccco1)C(C(=O)NC1CCCCC1)c1ccco1,CID645736,,,,,,,,,0.0,,,,0.0,,,,0.0
O=C(Nc1ccc(NC(=O)C2CC2)nc1)c1ccccn1,CID646499,,,0.0,,,,,,,,,,,,0.0,,
Cc1cc(NC(=O)C2CC2)ncc1NC(=O)c1ccccn1,CID1452904,,,,,,,,,,,,,,,0.0,,
CC(c1ccccc1)n1cc(C(=O)NCc2ccncc2)nn1,CID656099,,0.0,0.0,,,,0.0,,,0.0,,,,,,,
Cc1ccc(C(C)n2cc(C(=O)NCc3ccncc3)nn2)cc1,CID645167,,0.0,,,,,,,,0.0,,,,,,,
O=S(=O)(c1cccc(-c2nnc(-c3cccnc3)o2)c1)N1CCCCC1,CID1117979,0.0,,,,,,,,,,,,,,,,
CC1CCN(S(=O)(=O)c2cccc(-c3nnc(-c4cccnc4)o3)c2)CC1,CID1293454,0.0,,0.0,0.0,,,,0.0,,,,,,,,,0.0
N#Cc1ccccc1NC(=O)CNc1ccccc1N1CCCCC1,CID2475567,,,,,,0.0,,,,,,0.0,,,,,
Cc1ccccc1NC(=O)CNc1ccccc1N1CCCCC1,CID2527750,,,,,,,,,,,0.0,,,,,,
CC1CCc2c(sc3c2C2=NS(=O)(=O)CCN2C=N3)C1,CID2998601,,,0.0,,,,,,,,,,0.0,,,,
O=S1(=O)CCN2C=Nc3sc4c(c3C2=N1)CCCC4,CID2400918,,,,,,,,,,0.0,,,,,,,
CC1=C(C(=O)Nc2ccccc2)C(c2ccc3c(c2)OCO3)C2=C(CCCC2=O)N1,CID2948983,0.0,,0.0,,,,,,,,,,,,,,0.0
COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1ccc2c(c1)OCO2,CID649616,,,0.0,,,0.0,,,,,,0.0,,,,,0.0
CCCOc1ccc(C2C(=O)N(C3CCCCC3)CC(=O)N2C2CC2)cc1OC,CID3239022,,,,,0.0,0.0,,,,,,,,,,,
Cc1ccc(C2C(=O)N(C3CCC(C)CC3)CC(=O)N2C2CC2)cc1,CID3243994,,0.0,,,,,,,,,,,,,,,
O=C(NCc1cccc(Cl)c1)c1ccc2nc[nH]c2c1,CID2548252,,,,,,,,,,,,,,,0.0,,
COc1cccc(CNC(=O)c2ccc3nc[nH]c3c2)c1,CID2552412,,,,0.0,,,,0.0,,,,0.0,0.0,,,0.0,
c1ccc(OCc2nn3c(-c4n[nH]c5c4CCC5)nnc3s2)cc1,CID665436,,0.0,,,0.0,,,,,,0.0,,,,,,
Cc1ccc(OCc2nn3c(-c4n[nH]c5c4CCC5)nnc3s2)cc1,CID665444,0.0,0.0,0.0,,0.0,0.0,,0.0,,,0.0,,0.0,,,,
Cc1cccc(OCc2nnc(SCC(=O)N3CCc4ccccc43)n2C)c1,CID644895,0.0,,,,,,0.0,,,,,,,,,0.0,0.0
Cc1ccc(OCc2nnc(SCC(=O)N3CCc4ccccc43)n2C)cc1,CID1154729,,,,,,,,,,,,0.0,,,,,
Cc1ccc(S(=O)(=O)c2nc(C)oc2NCc2ccccc2)cc1,CID747408,0.0,,0.0,0.0,0.0,,,,,0.0,0.0,0.0,,0.0,,,
Cc1nc(S(=O)(=O)c2ccc(Cl)cc2)c(NCc2ccccc2)o1,CID987254,,0.0,,,0.0,,,,,0.0,,0.0,0.0,,,,
O=C(Nc1ccc(C(=O)Oc2ccccc2)c(O)c1)c1ccco1,CID722889,,,0.0,0.0,0.0,,,,0.0,,,,,,0.0,,
O=C(Oc1ccccc1)c1ccc(NC(=O)c2ccco2)cc1,CID1121535,,,,,,,,,,,,,,,0.0,,
CCn1c(SCc2ccccc2)nnc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1,CID653852,,,,0.0,,0.0,,,,0.0,,,,0.0,0.0,,
CCn1c(SCc2ccc(C#N)cc2)nnc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1,CID654078,,,,0.0,,0.0,,,,,,,,,,,
CC(=O)OC1CSc2nc3ccccc3n2C1,CID653850,,,,,,,0.0,,,,,,0.0,,,,
CCC(=O)OC1CSc2nc3ccccc3n2C1,CID647590,,,0.0,,,0.0,0.0,,,,0.0,,0.0,,,,
CN1CC(=O)N(CC(=O)Nc2ccc(N(C)C)cc2)c2ccccc2C1=O,CID653857,,,,,,,,,,,,,0.0,,,0.0,
CN1CC(=O)N(CC(=O)Nc2ccc(F)cc2)c2ccccc2C1=O,CID646246,,0.0,,0.0,,,0.0,,,,,,,,,0.0,
Cc1ccc(OCC(=O)OCc2c(C)noc2C)cc1C,CID2434679,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccc(C(C)C)c(OCC(=O)OCc2c(C)noc2C)c1,CID2997754,0.0,,,,,,0.0,0.0,0.0,,,0.0,,,,0.0,
O=C(c1noc2c1CCc1ccccc1-2)N1CCCc2ccccc21,CID3238979,0.0,,0.0,,0.0,,0.0,,0.0,,,0.0,,,,,
COc1ccc2c(c1)CCc1c(C(=O)N3CCCc4ccccc43)noc1-2,CID3238808,0.0,,,,,,,0.0,0.0,,0.0,,0.0,,,,0.0
C=CCN1CC(c2nc3ccccc3n2CCOc2ccccc2)CC1=O,CID666961,0.0,0.0,,,0.0,,,,,,,,,0.0,,,
CC(C)(C)N1CC(c2nc3ccccc3n2CCOc2ccccc2)CC1=O,CID3161619,,,,,,,,,,,,0.0,,,,,
O=c1c2cccnc2[nH]c(=S)n1CCCN1CCN(c2ccc(F)cc2)CC1,CID3243823,,,,0.0,,,,0.0,,,,,,,,,
O=c1c2cccnc2[nH]c(=S)n1CCCN1CCN(c2ccccc2F)CC1,CID3235772,0.0,,,,,,,,,0.0,,,,,,,
O=c1c2ccccc2n(Cc2ccc(F)cc2)c(=O)n1C1CCCC1,CID3243828,0.0,,,,,,,,,,,,0.0,,,,
O=c1c2ccccc2n(Cc2cccc(F)c2)c(=O)n1C1CCCC1,CID3239427,0.0,0.0,,,,,,0.0,,,,,,,,,
Cc1ccc(/C=C/C(=O)c2nc3ccccc3[nH]2)cc1,CID5823347,,,,,,0.0,,,,,,,,,,,
O=C(/C=C/c1cccc(Cl)c1)c1nc2ccccc2[nH]1,CID8178372,,,,,,0.0,,,,,,,,,,,
Fc1cccc(Cl)c1Cn1nnc2c(-n3ccnc3)ncnc21,CID655455,,,,,,,0.0,,,,,,,,,,
Fc1ccccc1Cn1nnc2c(-n3ccnc3)ncnc21,CID645145,,,,,0.0,,,,,,,,,,,,
Cc1ccccc1-c1nc(CN2CCCC(C(=O)NCc3cccnc3)C2)c(C)o1,CID3237848,,0.0,,,,,0.0,0.0,,,,,,,,,0.0
Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCCC(C(=O)NCc2cccnc2)C1,CID3237192,0.0,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccc(Br)cc1F)C1CCN(c2nnc(-n3cccc3)s2)CC1,CID5307569,0.0,,,,,,,,,,,,,,,,
O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CCN(c2nnc(-n3cccc3)s2)CC1,CID3236856,0.0,,,,0.0,,0.0,,,,,,,0.0,,,
CC(C)(C)NC(=O)CSc1nnc(Cc2ccc3c(c2)OCO3)n1C1CCCCC1,CID645929,0.0,,,0.0,,,,0.0,,,0.0,,,,,,0.0
NC(=O)CSc1nnc(Cc2ccc3c(c2)OCO3)n1C1CCCCC1,CID650741,0.0,,,,0.0,,0.0,,,0.0,0.0,,,,,,
COc1cc(C(=O)N2CCN(C(=O)C(Cc3cc(C)ccc3C)NC(C)=O)CC2)cc(OC)c1OC,CID645921,,,,,,,0.0,,0.0,,,,0.0,,,,
CC(=O)NC(Cc1cc(C)ccc1C)C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1,CID3226983,,,,,,,,,,,,,,0.0,,,
COc1cc(C(=O)Nc2ccc(NC(=O)C3CC3)nc2)cc(OC)c1OC,CID645925,,,0.0,0.0,,0.0,0.0,,0.0,,,,0.0,,,0.0,
O=C(Nc1ccc(NC(=O)C2CC2)nc1)c1cccc(F)c1,CID654329,,0.0,,,,0.0,,,,,,0.0,,,,,
CC/C(=N\NC(=O)c1ccc(Br)o1)c1ccc(Cl)cc1,CID1021478,,,,,,,,,,,,,,,0.0,,
Cc1cc(N(CCCl)CCCl)ccc1/C=N/NC(=O)c1ccco1,CID1034588,,,,,,0.0,,,,,,,,,,,
CC1CCN(C(=O)CSc2nnc(-c3ccco3)o2)CC1,CID2084549,0.0,0.0,,,0.0,,0.0,,,,,,,,,,
CCC1CCCCN1C(=O)CSc1nnc(-c2ccco2)o1,CID2998144,0.0,0.0,0.0,,0.0,,,,,,,,0.0,,,0.0,
CCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)N(CC)CCS3)CC1,CID5308767,,0.0,,,,,,,,,,,,,,,
CCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)N(C)CCS3)CC1,CID3236020,,0.0,0.0,0.0,,,,,,,,,0.0,,,,
CCOc1ccccc1N/C=C(\C#N)c1nc2ccccc2n1C,CID940768,,,,,,,,,,,,0.0,,,,,
COc1ccc(N/C=C(\C#N)c2nc3ccccc3n2C)c(OC)c1,CID662839,0.0,0.0,0.0,,,0.0,,,,,,,,,,,
COc1ccc(Cc2nnc(NC(=O)C3CCCO3)s2)cc1OC,CID3155136,,,,,,,,,,,0.0,,,,,,
COc1ccc(Cc2nnc(NC(=O)C3CCCO3)s2)cc1,CID647331,,,,,0.0,,,,,,,,0.0,,,0.0,
COc1cc(OC)cc(C(=O)NCCNC(=O)c2ccccc2)c1,CID1952141,0.0,,,0.0,,,,,0.0,0.0,,0.0,,,,0.0,0.0
CCOC(NC(=O)c1ccccc1)C(NC(=O)c1ccccc1)OCC,CID2829212,,,,,,,0.0,,,,,,,,,,
CC(O)c1nc2ccccc2n1C/C=C/c1ccccc1,CID5293365,,,0.0,,,,,,,,,0.0,,,,,
OCc1nc2ccccc2n1C/C=C/c1ccccc1,CID906212,0.0,,,0.0,0.0,0.0,,,,0.0,,,,,,,
O=c1c2c(nc3n1CCCCC3)sc1c(O)c(Br)ccc12,CID2829049,,,,,,,,,0.0,,0.0,,,,,,
O=c1c2c(nc3n1CCCCC3)sc1c(O)cccc12,CID534281,,,,,0.0,,0.0,,,,,,,,,,
Cc1ccc2c(c1)sc1nc(=O)n(-c3ccc(Cl)cc3)c(=O)n12,CID754906,,,,,,0.0,,,,,,,,,0.0,,
O=c1nc2sc3ccccc3n2c(=O)n1-c1cccc(Cl)c1,CID3723290,,,,,,,,,,,,,,0.0,,,
Cc1cccc(C)c1NC1=NCCCCS1,CID656160,,,,,0.0,,,,,,,,,,,,
c1ccc(NC2=NCCCCS2)cc1,CID904164,,,,,,,,,,,,,,0.0,,,
CCCN(CCC)c1nc(NC2CCN(C(=O)OCC)CC2)nc(OC)n1,CID3242341,,0.0,,,,,,0.0,,,,,,,,0.0,
CCOC(=O)N1CCC(Nc2nc(OC)nc(OC)n2)CC1,CID976805,,,,,,,,,0.0,,,0.0,,,,,
CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)Nc3nc(C)cs3)ccc21,CID3242342,,,,,0.0,,,,,0.0,,,,,,,0.0
CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)Nc3nccs3)cc2CC1C,CID3244371,,,0.0,,0.0,0.0,,,,,,,0.0,,,,
CC1CC(C)CN(C(=O)CCCn2c(=S)[nH]c3ccccc3c2=O)C1,CID3242348,,,,,,,0.0,0.0,,,,,,,,,
O=C(CCCn1c(=S)[nH]c2ccccc2c1=O)N1CCCCC1,CID3242853,0.0,0.0,,0.0,0.0,,0.0,,0.0,,,,,,,0.0,
Cc1ccc(SCC(=O)NCCCN2CCOCC2)cc1,CID2219795,,0.0,,,0.0,,0.0,,,,,,,,,,
O=C(CSc1ccccc1)NCCCN1CCOCC1,CID2105521,,,,,0.0,,,,,,,,,0.0,,,
COCCNC(=O)c1ccc2snnc2c1,CID3149529,,,,,,,,,,0.0,,,,,0.0,,
CNC(=O)c1ccc2snnc2c1,CID5309299,,,0.0,,,,,,,,,,,,,,
Cc1c(N(C)C(=O)c2ccc3c(c2)OCO3)c(=O)n(-c2ccccc2)n1C,CID992670,,,,,,,,,0.0,,,,,,,,
Cc1c(NC(=O)c2ccc3c(c2)OCO3)c(=O)n(-c2ccccc2)n1C,CID1160921,,,,,,,,,0.0,,,0.0,,,,,
CCOC(=O)c1[nH]c(C)c(C(=O)NCCc2ccc(OC)cc2)c1C,CID3236006,0.0,0.0,,0.0,,,0.0,,,,0.0,,0.0,,,,
CCOC(=O)c1c(C)c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c(C)n1CC,CID3239852,,,,,0.0,,,,0.0,,0.0,,,,,0.0,
Cc1sc2nc(CN3CCOCC3)nc(NS(=O)(=O)c3ccccc3)c2c1C,CID2545339,,,,,,,,,,,0.0,,,,,,
CCOc1ccc(Br)cc1S(=O)(=O)Nc1nc(CN2CCOCC2)nc2sc(C)c(C)c12,CID2123181,,,,,,,,,0.0,,,,,0.0,,,
O=c1nc(NCCCO)[nH]c2c1C1(CCCC1)Cc1ccccc1-2,CID1894197,,,,,,,,,,,,,,,,0.0,
O=c1nc[nH]c2c1C1(CCCC1)Cc1ccccc1-2,CID878329,,,,,,,,0.0,,,,,,,,0.0,
C=CCNC(=O)C1=C/C(=C2\C=CC=CC2=O)ON1,CID6324578,,,,,,,,,,,0.0,,,,,,
CCC(C)NC(=O)C1=C/C(=C2\C=CC=CC2=O)ON1,CID6324545,,,0.0,,,0.0,0.0,,,,,,,,,,
Cc1nc2ccccn2c1/C(O)=C1\C(=O)C(=O)N(CCN2CCOCC2)C1c1ccncc1,CID5389870,,,,,,,0.0,,,,,,,,,,
Cc1nc2c(C)cccn2c1/C(O)=C1\C(=O)C(=O)N(CCN2CCOCC2)C1c1ccncc1,CID5389902,,0.0,,,,,,,,,,,,,,,
CCCCNC(=O)c1cnc2n(c1=O)CCS2,CID3240586,,0.0,,0.0,,,,,,,,,,,,,
CCC(C)NC(=O)c1cnc2n(c1=O)CCS2,CID4344057,,0.0,0.0,,,,,,,,,,0.0,,,,
Cc1ccc2nc(Nc3ccccc3O)nc(-c3ccccc3)c2c1,CID2147019,,,,,,,,,,,,0.0,,,,,
O=C(O)c1ccc(Nc2nc(-c3ccccc3)c3ccccc3n2)cc1,CID776448,,,,,,0.0,,,,,,,,,,,
CC(C)(CNC(=O)c1cc2ccccc2o1)N1CCOCC1,CID2524738,0.0,,,0.0,,0.0,0.0,,0.0,0.0,,,0.0,0.0,,,0.0
Cc1c(C(=O)NCCN2CCOCC2)oc2ccccc12,CID832343,0.0,0.0,0.0,0.0,,,,0.0,,,,,0.0,,,,0.0
O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1,CID755262,,,,,,,,,,,,,,,0.0,,
CCC(C(=O)N1CCc2cc(OC)c(OC)cc2C1)c1ccccc1,CID666585,,,,,,,,0.0,,,,,,,,,
CCN(CC)C(=O)CSc1nnc(CNc2ccc(F)cc2)n1Cc1ccco1,CID1154953,,,,,,,,,,,0.0,,,,,,
O=C(O)CSc1nnc(CNc2cccc(C(F)(F)F)c2)n1Cc1ccco1,CID649538,0.0,,,,0.0,,,0.0,,0.0,,,,,,,
O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C1CCCCC1,CID1051956,0.0,,,,0.0,0.0,0.0,,0.0,0.0,,,,0.0,,,
CCCCC1CCC(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1,CID2964643,,,,,,,,,,,0.0,,,,,,
O=C(NC1CCCCC1)c1ccc(COCC(F)(F)F)o1,CID893108,,,,,,,,,0.0,,,,,,,,
O=C(NC1CCCCC1)c1ccc(Br)o1,CID600329,,,,,,,,,0.0,,,0.0,,,,0.0,0.0
COc1cc(NC(=O)C2CCCCC2)c(OC)cc1NC(=O)c1ccco1,CID652473,0.0,0.0,,0.0,,,,,0.0,0.0,,,,,,,
CCOc1cc(NC(=O)C2CCCCC2)c(OCC)cc1NC(=O)c1ccco1,CID645575,0.0,,0.0,,,,,0.0,0.0,,,0.0,,,,,
COCc1[nH]nc2c1C1(CCSCC1)C(C#N)=C(N)O2,CID670414,,0.0,,0.0,,,,,,0.0,,,,,,,
COC(=O)Cc1[nH]nc2c1C1(CCSCC1)C(C#N)=C(N)O2,CID973720,,,,,,,,,,0.0,,0.0,,,,,
O=C(c1cnc2sccn2c1=O)N1CCc2ccccc21,CID4335915,,,,,,,,,,0.0,,,,,,,
Cc1csc2ncc(C(=O)N3CCc4ccccc43)c(=O)n12,CID3322996,,,,0.0,,,,0.0,,,,,,,,,
Cc1nn(-c2ccccc2)c2sc(C(=O)N(Cc3ccco3)C(C)C(=O)NC(C)(C)C)cc12,CID655128,0.0,,0.0,,0.0,,,0.0,,,,,0.0,,,,0.0
Cc1nn(-c2ccccc2)c2sc(C(=O)N(CC(=O)NC(C)(C)C)Cc3ccco3)cc12,CID644441,0.0,,0.0,,,,,,,,,,,,,0.0,
COc1cccc(OCC(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)c1,CID1213602,,,,,,,,,,,,0.0,,,,,
COc1ccc(OCC(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1,CID1213610,,,,,,0.0,,,,,,0.0,,,,,
O=C(CSc1ncnc2nc[nH]c12)N1CCN(c2ccccc2)CC1,CID655123,,,0.0,0.0,0.0,,,0.0,,,0.0,,,,,,
O=C(CSc1ncnc2nc[nH]c12)N1CCN(c2ccc(Cl)cc2)CC1,CID655778,,0.0,,,,,,,,,,,0.0,,,,
OCCNc1nc(C2CC2)nc2c1nnn2Cc1ccccc1Cl,CID655125,0.0,0.0,0.0,,,,0.0,,,,,,,,,,
COC(=O)CNc1nc(C2CC2)nc2c1nnn2Cc1ccccc1Cl,CID651811,0.0,0.0,0.0,,,,0.0,,,,,,,,,,
CCN1CSC(=S)N(Cc2ccc(OC)cc2)C1,CID3239950,,,0.0,,0.0,,,,,,,,,,,,
COc1ccc(CN2CN(C(C)C)CSC2=S)cc1,CID3240667,,,,,0.0,,,,,0.0,,,,,,,
O=C(c1cc(-c2cccs2)on1)N1CCN(c2ccc(F)cc2)CC1,CID3239954,,0.0,,,,0.0,,,,,,,,,,,
O=C(c1cc(-c2cccs2)on1)N1CCN(c2ccccc2)CC1,CID3237496,,,,0.0,,,,,,,,,,0.0,,,
COc1ccc(CCN(Cc2nc(=O)c3ccccc3[nH]2)C(=O)c2ccco2)cc1OC,CID651758,,,0.0,,0.0,,,0.0,0.0,,,,0.0,,,,
COc1ccc(CCN(Cc2nc(=O)c3ccccc3[nH]2)C(=O)c2ccco2)cc1,CID651137,0.0,0.0,0.0,0.0,0.0,,0.0,,0.0,,,,0.0,,,,
C=CCC1=CC=C/C(=C\NNC(=O)CCC(=O)Nc2ccc(C)cc2)C1=O,CID6110232,,,,,,,,,,,,,,0.0,,,
O=C(CCC(=O)Nc1ccc(F)cc1)NN/C=C1\C=C([N+](=O)[O-])C=CC1=O,CID16195489,,,,,,,,,,,,,,,0.0,,
CN(C)c1ccc(C(=S)N2CCN(C(=S)Nc3ccc(Cl)cc3)CC2)cc1,CID1287301,,,,,,,,,,,,,,0.0,,,
S=C(Nc1ccccc1)N1CCN(C(=S)c2ccccc2)CC1,CID969702,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(C(=O)NC2CCCC2)N(Cc2ccc(F)cc2)C(=O)c2ccn[nH]2)cc1OC,CID3153675,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(C(=O)NC2CCCC2)N(Cc2ccc(C)cc2)C(=O)c2ccn[nH]2)cc1OC,CID3153669,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-c2nc(CS(=O)CC(=O)NCc3ccccn3)c(C)o2)cc1,CID5309424,,0.0,0.0,,,,,0.0,,0.0,,,,,,,
COc1ccc(-c2nc(CS(=O)CC(=O)NCc3ccccn3)c(C)o2)cc1,CID5308158,,,,,,,,,,,,,,,,0.0,
CC1CCCCC1NC(=O)CC1Oc2ccccc2NC1=O,CID5309428,,0.0,,,,,,,,,,,,,0.0,,
CC1CCC(NC(=O)CC2Oc3ccccc3NC2=O)CC1,CID5308988,,,,,,,,,,,,,,,,0.0,
O=C1c2ccccc2-c2nc3ncnn3c(-c3ccccc3)c21,CID650404,,,,,,,,,,,,0.0,,,,,
O=C1c2ccccc2-c2nc3ncnn3c(-c3ccccc3Cl)c21,CID709305,0.0,,,0.0,,,0.0,,,,,,,,,,
O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)NCc1ccco1,CID1007763,0.0,0.0,,0.0,0.0,,,,0.0,,0.0,0.0,,,0.0,,
CC(Sc1nnc(-c2cccs2)n1-c1ccccc1)C(=O)NCc1ccco1,CID4879065,,,,,,,,,,0.0,,,,,,,
Cn1c(SCC(=O)NCc2cccs2)nnc1-c1cccs1,CID1007768,,,,,0.0,,,,0.0,,,,,,,,
CCn1c(SCC(=O)NCc2cccs2)nnc1-c1cccs1,CID1007772,,,,0.0,0.0,,,,0.0,,,,,0.0,0.0,,
O=S(=O)(c1ccc2nc(SCc3ccc(Cl)cc3)[nH]c2c1)N1CCOCC1,CID2333159,,,,,,,,,,,,,,0.0,,,
O=S(=O)(c1ccc2nc(SCc3cccc(Cl)c3)[nH]c2c1)N1CCOCC1,CID2350190,,,,,,,,,,,,,,0.0,,,
c1ccc2c(c1)nnn2-c1ncnc2sc3c(c12)CCCC3,CID678368,,0.0,,,0.0,0.0,,,,,,,,,,,
Cc1nc(-n2nnc3ccccc32)c2c3c(sc2n1)CCCC3,CID700876,,,,,0.0,0.0,,,,,,,,,,,
COc1ccc(S(=O)(=O)Nc2cc(Sc3ncn[nH]3)c(O)c3ccccc23)cc1,CID1589731,,,,,,1.0,,,,,,,,0.0,,,
O=S(=O)(Nc1cc(Sc2ncn[nH]2)c(O)c2ccccc12)c1ccccc1,CID2133777,,,,,,,,,,,,,,0.0,,,
O=C(NCc1ccco1)C(c1ccco1)N(CCc1ccccc1)C(=O)Cn1nnc2ccccc21,CID655942,0.0,,,,,,,,,0.0,,,0.0,,,,0.0
Cc1ccc(C(C(=O)NCc2ccco2)N(CCc2ccccc2)C(=O)Cn2nnc3ccccc32)o1,CID655754,0.0,,,,,,0.0,,,0.0,0.0,,0.0,,,,
CCOC(=O)c1cnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)nc1N,CID2238233,,,,,0.0,,0.0,,,0.0,,,,,,,
CCOC(=O)c1cnc(SCC(=O)Nc2ccccc2N2CCOCC2)nc1N,CID1073210,,0.0,,,0.0,,,,,0.0,,,,,,,0.0
O=C1Nc2ccc(S(=O)(=O)N3CCCC3)c3cccc1c23,CID2219000,,,,,,,,,,,0.0,0.0,,,,,
O=C1Nc2ccc(S(=O)(=O)N3CCCC3C(=O)O)c3cccc1c23,CID3158615,,,,,,,,,,0.0,0.0,,0.0,,0.0,,
O=C1/C(=N\NC(=S)Nc2ccccc2F)c2ccccc2N1Cc1ccccc1,CID16194605,,,,,,,,,,,,,,,0.0,,
O=C1/C(=N\NC(=S)Nc2ccccc2F)c2ccccc2N1Cc1ccc(Cl)cc1,CID16195497,,,,,,,,,,,,,,0.0,,,
COc1cc(C(=O)NCc2ccc(C)cc2)ccc1OCc1c(C)noc1C,CID2540373,,,,,,0.0,,,,0.0,,0.0,,0.0,,,
COc1ccccc1CNC(=O)c1ccc(OCc2c(C)noc2C)c(OC)c1,CID2399324,,,,,,,,,0.0,,,,,,,,
CCOc1ccccc1NC(=O)C(OC(=O)c1ccccc1O)c1ccccc1,CID4040459,,,,,,,,,,,,,,,0.0,,
CCOc1ccccc1NC(=O)C(OC(=O)c1ccccc1)c1ccccc1,CID4874920,,,,,,,,,,,,,,,0.0,,
COc1ccc(OCCSc2n[nH]c(N)n2)cc1,CID1648923,,,,,,,,,,,,0.0,,,,,
Nc1nc(SCCOc2ccccc2)n[nH]1,CID2546016,,,,0.0,,,,,,,0.0,,,,,,
CCCc1nc(NCc2ccco2)c(C#N)c2c1COC(C)(C)C2,CID664838,0.0,,,,0.0,0.0,,,0.0,,,,,0.0,,,
Cc1nc(NCc2ccco2)c(C#N)c2c1COC(C)(C)C2,CID664448,,0.0,0.0,,0.0,,,,0.0,,,,0.0,,0.0,,0.0
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccn1-c1ccc(Cl)c([N+](=O)[O-])c1,CID2292877,,,,,,,,,,,,0.0,,0.0,,,
O=C1NN(c2ccccc2)C(=O)/C1=C/c1cccn1-c1ccc([N+](=O)[O-])cc1,CID2241274,,,,,,0.0,,,,,,,,,,,
CCc1nnc(NC(=O)C(NS(=O)(=O)c2ccc3c(c2)OCCO3)C(C)C)s1,CID2997605,,0.0,,,0.0,,,,0.0,,0.0,,,,,,
CC(C)c1nnc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)s1,CID649147,,,0.0,,0.0,0.0,0.0,,,,0.0,,,,,,
COc1ccc(C)cc1NC(=O)NC1CCN(Cc2ccccc2)CC1,CID2211616,,,,,,,,,,,,0.0,,,,0.0,0.0
COC(=O)c1ccccc1NC(=O)NC1CCN(Cc2ccccc2)CC1,CID1298380,,,,0.0,,,,,,,,,0.0,,,0.0,
Cc1cc(C(=O)Nc2sc(C)c(-c3ccc(F)cc3)c2C(N)=O)no1,CID996494,,0.0,,,,0.0,,,,,,,,0.0,,,
COc1ccc(-c2csc(NC(=O)c3cc(C)on3)c2C#N)cc1OC,CID1245150,0.0,0.0,0.0,,0.0,,0.0,,,,,0.0,,,,,0.0
COC(=O)C1=NC2=NC(C)=C(C(=O)OC3CCCCC3)C(c3ccc(OC)c(OC)c3)N2N1,CID5771371,,0.0,,,,,,,,,,,,,,,
COC(=O)C1=NC2=NC(C)=C(C(=O)OC3CCCCC3)C(c3cc(OC)ccc3OC)N2N1,CID5771429,,,0.0,,,0.0,,,,,,,,,,,
COc1ccc(OCc2nn3c(Cn4cnc5ccccc54)nnc3s2)cc1,CID667036,0.0,0.0,,,0.0,,,,,,0.0,,,,,0.0,
c1ccc(OCc2nn3c(Cn4cnc5ccccc54)nnc3s2)cc1,CID1234055,,,0.0,,0.0,,,,,0.0,0.0,,,,,,
Cc1ccc(CNc2ccc3c(c2)OCO3)c(C)c1,CID784440,,,,,,,,,,0.0,0.0,,,,0.0,,
Cc1ccc(CNc2ccc3c(c2)OCO3)cc1,CID784224,,0.0,,,,,0.0,0.0,,0.0,0.0,,,,,,
Cc1c(CCO)c(=O)n(C)n1C(=O)c1ccc(Cl)cc1,CID1480703,,,,,,,,,,,,,,0.0,,,
Cc1c(CCO)c(=O)[nH]n1C(=O)c1ccc(F)cc1,CID1477972,,,,,,,,,,,,0.0,,,,,
CCSc1nc2cc(OC)c(OC)cc2c(=O)n1CCc1ccccc1,CID2038131,,,,,,,,,,,,,,0.0,,,
CCC(Sc1nc2cc(OC)c(OC)cc2c(=O)n1CCc1ccc(S(N)(=O)=O)cc1)C(=O)NCCOC,CID16194266,,,,,,,,,,,,,,,0.0,,
O=C1CC(N2CCSCC2)C(=O)N1c1cccc(Br)c1,CID2859252,,,,,,,,,,,,,,0.0,,,
O=C1CC(N2CCSCC2)C(=O)N1c1ccccc1,CID2732608,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)c2no[n+]([O-])c2C(=O)c2ccc(OC)cc2)cc1,CID286532,,,,,,0.0,,,,,,,,0.0,,,
Cc1ccc(C(=O)c2no[n+]([O-])c2C(=O)c2ccc(C)cc2)cc1,CID1388811,,,,,,,,,,,,,,0.0,,,
COc1ccc(CCn2c(N3CCOCC3)nc3c2c(=O)[nH]c(=O)n3C)cc1,CID3161975,,,,,,,,,,,0.0,0.0,,,,,
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCOCC1)n2CCc1ccccc1,CID1098643,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1Nc1c(-c2ccncc2)nc2ccc(Cl)cn12,CID15989627,,,,,,,,,,,,,,,0.0,,
Cc1ccc2nc(-c3ccncc3)c(Nc3ccccc3)n2c1,CID6963061,,,,,,,,,,,,,,,0.0,,
CCN1c2ccccc2-c2nc3ccccc3n2C1c1ccccn1,CID664311,,,,,,0.0,,,,,,,,,,,
CN1c2ccccc2-c2nc3ccccc3n2C1c1ccccn1,CID661741,,0.0,,,,,,,,,,,,,,,
O=C(Nc1cccnc1)c1cc(-c2ccco2)on1,CID3240221,,,,,,,0.0,0.0,,,,0.0,0.0,,,,
O=C(Nc1cccnc1Cl)c1cc(-c2ccco2)on1,CID3559433,,,,,,,,,,0.0,,,,,,,
O=C1NC(=O)C(CC(=O)N(c2ccccc2)C2(C(=O)NC3CCCC3)CCCCC2)N1,CID3240228,,0.0,,,,,0.0,,,,,,,,,,0.0
Cc1ccc(N(C(=O)CC2NC(=O)NC2=O)C2(C(=O)NC3CCCC3)CCCCC2)cc1,CID3239798,,,,,,,,,,,,,0.0,,,,0.0
Cc1ccc(-c2nnn(CC(=O)N(CC(=O)NCc3ccccc3)c3cccc(C)c3C)n2)o1,CID649774,,,,,,,,,,0.0,,,,,,,
Cc1cccc(N(CC(=O)NCc2ccccc2)C(=O)Cn2nnc(-c3ccc(C)o3)n2)c1,CID644572,,,,,,,,,,,0.0,0.0,,,,,0.0
COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC3CCCC3)CC2)cc1,CID1147964,,,0.0,,,,,0.0,,0.0,0.0,,,0.0,,0.0,0.0
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)CCC3CCCC3)CC2)cc1,CID1151669,,,,,0.0,,0.0,,,,,,0.0,,,,
CCOc1ccc(/C=C2/SC(=O)NC2=S)cc1,CID1371498,,,,,,,,,,,,,,0.0,,,
COc1ccc(/C=C2\SC(=O)NC2=S)cc1OC,CID1540147,,,,,,,,,,,,,,,0.0,,
O=C1c2ccccc2C(=O)C1c1ccc2ccccc2n1,CID6731,,,,,,,,0.0,,,,,,,,,
Cc1ccc2ccc(C3C(=O)c4ccccc4C3=O)nc2c1,CID2843949,,,,,,,,,0.0,,,,,,,,
CCCN1CCN(CCCNC(=O)C2CCCN(c3nnc(-n4cccc4)s3)C2)CC1,CID3239455,,,,,,,0.0,,,,,,,,,,
CCN1CCN(CCCNC(=O)C2CCCN(c3nnc(-n4cccc4)s3)C2)CC1,CID3238742,,,0.0,,,,0.0,,,,0.0,,,,,0.0,
Cc1ccc(-c2noc(CCC(=O)NCCN3CCN(Cc4ccccc4)CC3)n2)cc1,CID3239454,,,0.0,,,,,,,,0.0,0.0,,,,,
O=C(CCc1nc(-c2ccccc2F)no1)NCCN1CCN(Cc2ccccc2)CC1,CID3237273,,,,,,0.0,,,,,0.0,,,,,,
CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2cc(C)ccc2OC)c1C,CID2418588,,0.0,,,,,,,,0.0,,,,0.0,,0.0,
CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2cc(C)c(Cl)cc2OC)c1C,CID2441194,,,,,,,,,,,,0.0,,,,,
CC(=O)N1CCc2cc(S(=O)(=O)NC(CC(C)C)C(=O)N3CCc4ccccc4C3)ccc21,CID3238603,,,,,0.0,,,,0.0,0.0,0.0,,0.0,,,,0.0
CCC(=O)N1CCc2cc(S(=O)(=O)NC(C(=O)N3CCc4ccccc4C3)C(C)C)ccc21,CID3235840,,,,,,0.0,,0.0,0.0,0.0,,,0.0,,,,0.0
CCN(CC)c1nc(-c2ccccc2)ncc1S(=O)(=O)c1ccc(C)cc1,CID1488911,,,,,,,,,,,,,,0.0,,,
CN(C)c1nc(-c2ccccc2)ncc1S(=O)(=O)c1ccccc1,CID1487974,,,,,,,,,,,,,,0.0,,,
O=S(=O)(c1cccc(-c2nc3ccccc3s2)c1)N1CCCC1,CID972542,,,,,0.0,,,,0.0,,0.0,,,,,,
Cc1ccc(-c2nc3ccccc3s2)cc1S(=O)(=O)N1CCCC1,CID1248985,,,,,,,,,,0.0,0.0,,,,0.0,,
O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1cncc(Br)c1,CID1263930,0.0,,,,,,,,0.0,,,0.0,,,,0.0,
O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1cccnc1,CID1249685,,0.0,,,,,,0.0,,,,,,,,,
Cc1cc2c(C)cc(=O)oc2c2c1NCCC2,CID760021,,,,,,,0.0,,,0.0,,,,,,0.0,
Cc1cc2c(C(F)(F)F)cc(=O)oc2c2c1NCCC2,CID760116,,,,0.0,,,,,0.0,,,,,,,0.0,0.0
CCOC(=O)c1sc2nc(SCC(=O)N(CC)CC)n(CCCN3CCCC3=O)c(=O)c2c1C,CID6616355,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1sc2nc(SCC#N)n(CCCN3CCCC3=O)c(=O)c2c1C,CID3241304,,,,,0.0,,,,,,0.0,0.0,,,,0.0,
CC(=O)c1cc2c(cc1NC(=O)CN1CCN(c3ccc(F)cc3)CC1)OCO2,CID1289402,,,,,,,,,0.0,,,,,,,,
COc1ccc(N2CCN(CC(=O)Nc3cc4c(cc3C(C)=O)OCO4)CC2)cc1,CID2196705,0.0,,,,,,0.0,0.0,,0.0,,,,,,,0.0
O=C1NC(c2cc3c(cc2Cl)OCO3)Oc2ccccc21,CID666388,0.0,0.0,0.0,0.0,,,,,,0.0,,,0.0,,,0.0,
O=C1NC(c2ccc3c(c2)OCO3)Oc2ccccc21,CID666163,,,,,,0.0,,,,0.0,0.0,,0.0,,,0.0,
Cc1cc2cccc(C)c2nc1SCC(=O)N(C)c1nc(-c2ccccc2)cs1,CID1176117,,,,,,0.0,,,,,,,,0.0,,,
Cc1cc2ccccc2nc1SCC(=O)Nc1nc(-c2ccccc2)cs1,CID1153237,,,,,,0.0,,,,,,,,0.0,,,
CCn1c(SCCOc2ccc(OC)cc2)nnc1C(CO)NC(=O)c1ccc(OC)cc1,CID2968664,,0.0,,0.0,0.0,,,0.0,,,0.0,,,,,,0.0
C=CCn1c(SCCOc2ccccc2)nnc1C(C)NC(=O)c1ccccc1,CID2966207,,,,,,,,,,,0.0,,,,,,
c1ccc(-c2noc(C3CCCCC3)n2)nc1,CID646251,,,,0.0,,,,0.0,,,,,,,,,
CCCCC1CCC(c2nc(-c3ccccn3)no2)CC1,CID2264736,0.0,0.0,,,,,1.0,0.0,,,,,,,,,
O=C(Nc1nccs1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1,CID3238197,,,,,,,,,0.0,,,,,,,,0.0
Cc1ccc(S(=O)(=O)C2(C(=O)Nc3nccs3)CC2)cc1,CID3432300,,,,,0.0,,,,,,0.0,,,,,,
CCC1CCCN1Cn1cnc2c([nH]c3ccccc32)c1=O,CID3238198,,,,,,0.0,,,,,,,,,,,
CCC1CCCN1Cn1cnc2c([nH]c3ccc(OC)cc32)c1=O,CID3237826,,,,,,,,,,,,,,,,0.0,
Cn1c(C(=O)NCCCN2CCCCC2)cc2sccc21,CID3243429,,,,0.0,,,,,,,,,,,,,
CC1CCN(CCCNC(=O)c2cc3sccc3n2C)CC1,CID654794,,,,,,,,0.0,,,,,,,,,
CC(=O)Oc1ccccc1C1OCCN1C(C)=O,CID659064,,,,,,,,0.0,,,,,,0.0,,,
COc1ccc(C2NCCO2)cc1OC,CID652586,,,,,0.0,,,,,,,,0.0,,,,
c1coc(CNc2ncnc3c2oc2ccccc23)c1,CID659066,,,0.0,,,,0.0,,,0.0,,,0.0,,,0.0,
Cc1nc(NCc2ccco2)c2oc3ccccc3c2n1,CID664442,,,,,0.0,,0.0,,,,,,0.0,,,,
COc1ccc(C=O)cc1Cn1c(=O)n(CCC(=O)NCc2ccco2)c(=O)c2sccc21,CID2134888,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C)c(Cn2c(=O)n(CCC(=O)NCc3ccco3)c(=O)c3sccc32)c1,CID3235746,,,,,0.0,,0.0,0.0,,,,,,,,,
CCCc1nc(NC2CCCCC2)c(C#N)c2c1COC(C)(C)C2,CID659060,,,,0.0,,,,,,,,,,,,,
CCc1nc(NC2CCCCC2)c(C#N)c2c1COC(C)(C)C2,CID657458,,0.0,,,,,,0.0,,,,0.0,,,,,
COc1ccc(-c2cc(=O)[nH]c(=O)[nH]2)cc1,CID658918,,,,,,,0.0,0.0,,,,0.0,,,,,
CC(C)Oc1ccc(-c2cc(=O)[nH]c(=O)[nH]2)cc1,CID789298,,,,,,,,,,,,0.0,,,,,
CCc1noc(C)c1C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1,CID1245716,,0.0,0.0,,,,,,,,,,0.0,,,,
CCOc1ccccc1N1CCN(C(=O)c2c(C)noc2C)CC1,CID1247470,,,0.0,,,,0.0,,,,,,,,,,
CC(=O)OC(C(=O)NCCN1CCOCC1)c1c(F)cccc1F,CID3781511,,,,,,,,,,,,,,,0.0,,
CC(C(=O)NCCN1CCOCC1)c1ccc([N+](=O)[O-])cc1,CID2944432,,,,,,,,,,,,,,0.0,,,
COCC(C)NC(=O)c1noc2c1CCc1cc(OC)ccc1-2,CID3244320,,,,,,,,,,,,,,,,0.0,0.0
COCCNC(=O)c1noc2c1CCc1cc(OC)ccc1-2,CID3239940,,,,,,,,,,0.0,,,1.0,,,0.0,
CC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)N3CCN(c4ccccn4)CC3)ccc21,CID3244323,,,,,,,,,,,0.0,,,,0.0,,
CCC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)N3CCN(c4ccccn4)CC3)ccc21,CID3245416,,,,,,,0.0,,,,,,0.0,,,0.0,
Cc1cc(C)nc(SCC(=O)Nc2sc3c(c2C#N)CCC(C)C3)n1,CID3165302,,,,,,,,,0.0,0.0,,,,,,,
Cc1ccnc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)n1,CID653892,1.0,0.0,,,0.0,,,,0.0,0.0,0.0,,0.0,,,,
COC1=C/C(=C/NN2C(=O)CSC2=S)C=CC1=O,CID5342649,,,,,,,,,,,0.0,,,,,,
COC1=C/C(=C/NN2C(=O)CSC2=S)C=C(Br)C1=O,CID16196677,,,,,,,,,,,,,,0.0,,,
COc1ccccc1Nc1nc(N)nc(CN(C)C2CCCCC2)n1,CID942721,,0.0,,,,,0.0,,,,,,,,,0.0,
CCOc1ccccc1Nc1nc(N)nc(CN(C)C2CCCCC2)n1,CID1088060,,0.0,0.0,,,,,,,,,,,,,,
CCOC(=O)c1cnc2ccccc2c1NCCc1ccc(OC)c(OC)c1,CID1190550,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1cnc2c(C)cccc2c1NCCc1ccc(OC)c(OC)c1,CID1190573,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1cnc2ccc(C)cc2c1Nc1ccc(N2CCOCC2)cc1,CID1190554,,,,,,,,,,,,1.0,,,,,
CCOC(=O)c1ccc2ncc(C(=O)OCC)c(Nc3ccc(N4CCOCC4)cc3)c2c1,CID1190175,,,,,,,,,,,,,,0.0,,,
COc1ccc(CC(=O)O/N=C(\N)c2cccnc2)cc1OC,CID5348495,,,,,,0.0,,,,,,,,,,,
N/C(=N\OC(=O)Cc1ccc(Cl)cc1)c1cccnc1,CID5343485,,,,,,0.0,,,,,,,,,,,
Cc1ccnc(SCC(=O)c2cccs2)n1,CID2361974,,,,,,,,,,,,,,0.0,0.0,,
Cc1cc(C)nc(SCC(=O)c2cccs2)n1,CID779381,,,,,,0.0,,,,,,,,,,,
CC1(c2ccncc2)N=c2ccccc2=C2Nc3ccccc3N21,CID5389857,,,0.0,0.0,,,,,,0.0,,,0.0,,,,0.0
c1ccc2c(c1)NC1=c3ccccc3=NC(c3ccncc3)N12,CID5389445,,0.0,,0.0,,,,,,,,,,,,,
Cc1cccc(S(=O)(=O)NCCC(=O)OCC(=O)Nc2ccc(C#N)cc2)c1,CID2097489,,,,,,,,,,,,,,0.0,,,
N#Cc1ccc(NC(=O)COC(=O)CCNS(=O)(=O)c2ccccc2)cc1,CID2077902,,,,,,,,,,,,,,0.0,,,
Cc1cc(C(F)(F)F)nc(SCC(=O)NC2=NC(=O)C(C)S2)n1,CID2976289,0.0,,,,,,0.0,,,,,,,,,,
Cc1cc(C)nc(SCC(=O)NC2=NC(=O)C(C)S2)n1,CID2976325,0.0,0.0,0.0,,,,0.0,,0.0,,,,,,,,
OCCCC1=NC2=NC(c3ccc(Br)cc3)=CC(c3cccs3)N2N1,CID6022905,,,,,,,,,,,0.0,,,,,,
OCCCC1=NC2=NC(c3ccccc3)=CC(c3cccs3)N2N1,CID5310167,,,,,,,,,,,0.0,,,,,,
Cc1ccc(NC(=O)CN2C(=O)CN=C(c3ccccc3)c3cc(Cl)ccc32)cc1,CID4227629,,,,,,0.0,,,,,,,,,,,
CN(C)c1ccc(NC(=O)CN2C(=O)CN=C(c3ccccc3)c3ccccc32)cc1,CID3241670,0.0,,,,,,,0.0,,,0.0,0.0,,,0.0,,0.0
O=C(Cc1c(F)cccc1Cl)Nc1ccncc1,CID974101,0.0,,,,,,,,,,,,0.0,,,0.0,0.0
Cc1ccc(CC(=O)Nc2ccncc2)cc1,CID889237,,,,,,,,,,,,,,,0.0,,
O=C(COC(=O)C1=COCCO1)NCCCc1ccccc1,CID2632604,,,,0.0,,,,,,0.0,,,,,,0.0,
CC(CCc1ccccc1)NC(=O)COC(=O)C1=COCCO1,CID2998987,,,,,,0.0,0.0,,,0.0,,,0.0,,,0.0,0.0
CNc1sc(C(=O)c2cccs2)c(N)c1-c1nc2ccccc2s1,CID3000142,,,,,,,,,0.0,,,,,,0.0,,
CCNc1sc(C(=O)c2cccs2)c(N)c1-c1nc2ccccc2s1,CID2998964,,,,,0.0,,0.0,,0.0,,,,,,,,
O=c1cc(CSc2ccc(Cl)cc2)[nH]c(N2CCOCC2)n1,CID666622,0.0,0.0,0.0,0.0,0.0,,,,,,0.0,0.0,,,0.0,,0.0
Cc1ccc(SCc2cc(=O)nc(N3CCOCC3)[nH]2)cc1,CID665972,0.0,0.0,,,0.0,,,,,,,,0.0,,,,
CC(NC(=O)c1ccco1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1,CID2098774,,,,,,,,,0.0,0.0,,,,0.0,,,
O=C(CNC(=O)c1ccco1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1,CID2594293,,,,,,0.0,,,,,,,,0.0,0.0,,
Cc1cc(C)c(C#N)c(SCS(=O)Cc2ccc(Cl)cc2)n1,CID3245806,,,,,,,0.0,,,,,,0.0,,,,
Cc1cc(C)c(C#N)c(SCS(=O)Cc2ccccc2)n1,CID3236966,,,0.0,,0.0,0.0,0.0,,,0.0,,,,,,,
O=C1CC(C(=O)N2CCC3(CC2)OCCO3)CN1CCc1ccccc1,CID3245809,,,,,,0.0,,0.0,0.0,,,,,,,,
Cc1ccc(CCN2CC(C(=O)N3CCC4(CC3)OCCO4)CC2=O)cc1,CID3243112,,,,,,,,,0.0,,,,,,,,
CCc1nc2ccccc2c(C(=O)OCC(=O)NCc2ccco2)c1C,CID2364135,,,,0.0,,,0.0,,0.0,,,0.0,,,,,
CCCc1nc2ccccc2c(C(=O)OCC(=O)NCc2ccco2)c1CC,CID2364854,,,,,,0.0,,,,0.0,,0.0,,,,,
Cc1c(S(=O)(=O)N2CCOCC2)c(=O)n(C)c(=O)n1C,CID7196440,,,,,,,,,,,,,,,0.0,,
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCOCC1,CID758954,,0.0,,,,,,,,,,,,,,,
O=c1c2cc(-c3ccccc3)sc2ncn1/N=C/c1ccco1,CID705995,,0.0,,,0.0,,0.0,,,,,,,,,0.0,
Cc1ccc(/C=N/n2cnc3sc(-c4ccccc4)cc3c2=O)o1,CID705991,,,,,,,,,,,,,,0.0,,,
Cc1cc([N+](=O)[O-])cc2c1-c1ncccc1/C2=N\c1ccccc1,CID695926,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccccc1/N=C1/c2cc([N+](=O)[O-])ccc2-c2ncccc21,CID628864,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(N2CCN(Cc3cc(=O)oc4ccc5ccccc5c34)CC2)cc1,CID665748,,0.0,,,,,,,0.0,,,0.0,,,0.0,,0.0
O=c1cc(CN2CCN(c3ccccc3)CC2)c2c(ccc3ccccc32)o1,CID665310,,,,,,,0.0,0.0,0.0,0.0,,0.0,,,,,0.0
CC1(C)CC(=O)C=C(OC(=O)c2ccc(Cl)cc2)C1,CID2732003,,,,,,,,,,,,,,1.0,,,
Cc1ccc(C(=O)OC2=CC(=O)CC(C)(C)C2)cc1,CID1474654,,,,,,,,,,,,,,1.0,,,
Cc1ccc(-c2cc(C(=O)Nc3nccs3)c3ccccc3n2)c(C)c1,CID2494721,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C)c(-c2cc(C(=O)Nc3nccs3)c3ccccc3n2)c1,CID1261317,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(=O)N2CCN(C(=O)Cc3ccccc3)CC2)cc1OC,CID650859,0.0,,,,,,,,0.0,,,,,0.0,,,
COc1cc(C(=O)N2CCN(C(=O)Cc3ccccc3)CC2)cc(OC)c1OC,CID1114880,,,,,,,0.0,,0.0,0.0,,,,,,,
S=c1[nH]nc(-c2ccccc2)c2ccccc12,CID682602,,,,,,,,,,,,,,,0.0,,
Cc1ccc(-c2n[nH]c(=S)c3ccccc23)cc1C,CID727723,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(=O)Nc2ccccc2C(=O)NC(C(=O)NCc2ccco2)C(C)C)cc1,CID647457,0.0,,0.0,,,,,0.0,,,,,,,,,0.0
CCC(C)C(NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)NCc1ccco1,CID2998376,,0.0,,0.0,,,0.0,0.0,,,,,,,,,0.0
O=C(COC(=O)CCOc1ccccc1)NCc1ccco1,CID2347383,,,0.0,,0.0,,0.0,,,,,,0.0,,,0.0,
COc1ccc(OCCC(=O)OCC(=O)NCc2ccco2)cc1,CID2420006,,,0.0,,0.0,,,,,,,,0.0,,,,
CS(=O)(=O)N(CC(=O)NC1CCCCCC1)Cc1ccc(Cl)cc1,CID2238601,,,,,,,,,,0.0,,,,,0.0,,
CS(=O)(=O)N(CC(=O)NC1CCCCCC1)Cc1ccccc1,CID892597,,,,,,,,0.0,0.0,,,,,,,,0.0
CCn1c(=O)cc(SCC(=O)N2CCN(C3CCCCC3)CC2)c2ccccc21,CID3240229,,0.0,,,,,0.0,0.0,,,,,,,,,
Cn1c(=O)cc(SCC(=O)N2CCN(C3CCCCC3)CC2)c2ccccc21,CID3237804,0.0,,0.0,,,,,,,,0.0,,,,,,
Cc1ccccc1OCC(=O)NNC(=O)Nc1ccc(Cl)cc1,CID724157,,,,,,0.0,,,,,,,,,,,
Cc1cccc(C)c1OCC(=O)NNC(=O)Nc1ccc(Cl)cc1,CID833614,,,,,,,,,,,,,,,0.0,,
Cc1nc2ccccc2nc(=O)c1NNc1ccccc1,CID2303746,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NNc2c(C)nc3ccccc3nc2=O)cc1,CID2303119,,,,,,,,,,,,,,0.0,,,
Cc1ccc(-n2nc3c([n+]2[O-])CCc2c-3no[n+]2[O-])cc1,CID650038,,,0.0,,,,0.0,,,,,,,,,,
[O-][n+]1onc2c1CCc1c-2nn(-c2ccccc2Cl)[n+]1[O-],CID3244385,0.0,0.0,,,,,,,,,,,0.0,,,,
CCOC(=O)C1CCN(C(=O)CCS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CC)CC1,CID16194308,,,,,,,,,,,,,,,0.0,,
CCOC(=O)C1CCN(C(=O)CCS(=O)(=O)c2ccc3c(c2)CC(C)N3C(=O)CC)CC1,CID16194306,,,,,,,,,,,,,,,0.0,,
Cc1nn(CC(=O)c2cccc(Cl)c2)c(C)c1[N+](=O)[O-],CID2103541,,,,,,,,,,,,,,,0.0,,
Cc1nn(CC(=O)c2ccccc2Cl)c(C)c1[N+](=O)[O-],CID2341607,,,,,,,,,,,,,,,0.0,,
O=S(=O)(c1cnc[nH]1)N1CCc2ccccc21,CID3238261,,0.0,,,,,,0.0,,,,,,,,,
CC1Cc2ccccc2N1S(=O)(=O)c1cnc[nH]1,CID3244439,,,,0.0,,,,0.0,,,0.0,,,,,,
Cc1ccc(N2C(=O)/C(=C/C=C/c3ccccc3)C(=O)NC2=S)cc1,CID5346187,,,,,,0.0,,,,,,,,,,,
COc1ccc(N2C(=O)/C(=C/C=C/c3ccccc3[N+](=O)[O-])C(=O)NC2=S)cc1,CID2180260,,,,,,,,,,,,,,,0.0,,
Cc1cccc(NC(=O)N(Cc2nc(=O)c3ccccc3[nH]2)C2CCCC2)c1,CID653567,0.0,0.0,0.0,,,0.0,,,,,,0.0,0.0,,,,0.0
O=C(Nc1cccc(Cl)c1)N(Cc1nc(=O)c2ccccc2[nH]1)C1CCCC1,CID648927,0.0,,,,,,,,,,,,0.0,,,,
CC(C)n1nnnc1SCC(=O)NNC(=O)C1CCCCC1,CID1452356,,,,,,,,,,,,0.0,,,0.0,,
CCCn1nnnc1SCC(=O)NNC(=O)C1CCCCC1,CID1452257,,,,,,,,,,,,,,,0.0,,
O=C1c2ccccc2S(=O)(=O)N1CC(O)Cn1ccc2ccccc21,CID2967427,,,0.0,0.0,,,,,,,,,,,,0.0,
Cc1c(C)n(CC(O)CN2C(=O)c3ccccc3S2(=O)=O)c2ccccc12,CID2896291,,,,,,,,,0.0,,,,,,,,
Cc1cc(C)c(C#N)c(SCCS(=O)(=O)c2ccc(C(C)(C)C)cc2)n1,CID1015199,,,,,,,,,,0.0,,,,,,,
Cc1ccc(S(=O)(=O)CCSc2nc(C)cc(C)c2C#N)cc1,CID894037,,0.0,,,,,,,,0.0,0.0,,0.0,,,,
CC1=CC(=O)/C(=C/Nc2ccccn2)C(=O)O1,CID5675791,,,,,,,,,,,0.0,,,,,,
CC1=CC(=O)/C(=C/Nc2cccc(C)n2)C(=O)O1,CID5639072,,,0.0,,,,,0.0,,,,,,,,,
Cc1ccc(S(=O)(=O)Nc2nc3ccc(S(=O)(=O)N4CCCC4)cc3s2)cc1,CID2138955,,,,,0.0,,0.0,,0.0,,,,,,,,
O=S(=O)(Nc1nc2ccc(S(=O)(=O)N3CCCC3)cc2s1)c1ccc(F)cc1,CID2138957,,,,,,,,,0.0,,,,,,,,
CC(=O)OC1CC(C)(C)N(OC(=O)c2ccc(N)cc2)C(C)(C)C1,CID577680,,,,,,,,,1.0,,,0.0,,,,0.0,
CC(=O)OC1CC(C)(C)N(OC(=O)c2ccccc2)C(C)(C)C1,CID569354,0.0,,,0.0,,,,0.0,,,,,,,,,
Cc1ccc(C(=O)NCCOC23CC4CC(CC(C4)C2)C3)cc1,CID2973485,,,,,,0.0,,,,,,,,,,,
O=C(NCCOC12CC3CC(CC(C3)C1)C2)c1cccc(Br)c1,CID2973263,,,,,,,,,,,,0.0,,,,,
CC1(C(=O)NC2CCCCC2)CCC(=O)N1Cc1cccnc1,CID4103173,0.0,,,,0.0,,,,,,,0.0,,,,,
CC1CCC(NC(=O)C2(C)CCC(=O)N2Cc2cccnc2)CC1,CID5308482,0.0,0.0,,0.0,,,,,,,,,,,,,0.0
COc1ccc(OC)c(C(C(=O)NCc2ccco2)N(C(=O)Cn2nnc3ccccc32)C(C)C)c1,CID649146,0.0,0.0,,,,,,,,,0.0,0.0,0.0,,,,
CCC(C)N(C(=O)Cn1nnc2ccccc21)C(C(=O)NCc1ccco1)c1cccc(OC)c1,CID655384,,,,,,0.0,,,,,,,,,0.0,,
O=C(CC1C(=O)N(c2ccc(Cl)cc2)C(=S)N1CCc1ccncc1)Nc1ccc(F)cc1,CID2981167,,,,,,,,,,,,0.0,,,,,
COc1ccc(NC(=O)CC2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCc2ccncc2)cc1,CID2936934,,,,,,0.0,,,,,,,,,,,
O=c1cc(-c2ccccc2Cl)c2c([nH]1)CCC2,CID6324576,,,,,,,0.0,,,,,,,,,,
CCCCNC(=O)Cn1c2c(c(-c3ccccc3Cl)cc1=O)CCC2,CID4582945,,,,,,,,,,,,0.0,,,,,
CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3ccccc32)=C(O)C1,CID624746,,,,,,0.0,,,,,,,,,,,
O=C1CCCC(O)=C1C1C2=C(CCCC2=O)Oc2ccccc21,CID608147,,,,,,0.0,,0.0,0.0,0.0,,,0.0,,,,
CCCSc1nnc(N2C(=O)CC(c3ccsc3)C3=C2CCCC3=O)s1,CID4015001,,,,,0.0,,,,,,,,,,,,
CCSc1nnc(N2C(=O)CC(c3ccsc3)C3=C2CC(C)(C)CC3=O)s1,CID5038238,0.0,,,,0.0,,,,,,,,0.0,0.0,,,
N#Cc1nc(-c2ccccc2F)oc1NC1CCCCC1,CID892585,,,,0.0,,0.0,,0.0,,,,0.0,0.0,,,,
Cc1cccc(-c2nc(C#N)c(NC3CCCCC3)o2)c1,CID661186,,0.0,0.0,,,,,0.0,,,,,,,,,
CC1=NC(=O)C(/N=N/c2ccccc2C)N1c1ccccc1,CID3117448,,,,,,,,,,,,0.0,,,,,
CC1=NC(=O)C(/N=N/c2ccccc2)N1c1ccccc1,CID3117447,,,,,,,,,,,,,,0.0,,,
O=C(CSc1nc2ccccc2o1)Nc1ccc2c(c1)OCO2,CID708747,,,,,,0.0,,,,,,,,,,,
CC(=O)c1cc2c(cc1NC(=O)CSc1nc3ccccc3o1)OCO2,CID2059961,,,,0.0,,,,,,,,,,,,0.0,
c1ccc(-c2nnc3sc(Cc4cccs4)nn23)cc1,CID662711,,,0.0,0.0,0.0,,0.0,,,,,,,,,,
Clc1ccc(-c2nnc3sc(Cc4cccs4)nn23)cc1,CID664192,,,,0.0,,,,,0.0,,,,,,0.0,,
CN1C(=O)NC(NC(=O)c2cccs2)(C(F)(F)F)C1=O,CID662714,0.0,0.0,,,0.0,,,,0.0,,,,,,,,0.0
CC(C)CN1C(=O)NC(NC(=O)c2cccs2)(C(F)(F)F)C1=O,CID3245898,0.0,0.0,,,0.0,,,,,0.0,,,,,,,
O=C1NC2(CCCCC2)Oc2ccccc21,CID652743,,,0.0,,,,0.0,,,,,,,,,0.0,
CC1CCC2(CC1)NC(=O)c1ccccc1O2,CID656008,,,,,,,0.0,,,,0.0,,,0.0,,,0.0
Cc1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1,CID1790578,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1C(=O)NNC(=S)NC(=O)c1ccc(Cl)cc1Cl,CID1790616,,,,,,,,,,,,,,0.0,,,
CNC(=O)c1sccc1SCc1ccc(Cl)cc1Cl,CID2767043,,,,,,,,,,,,,,,0.0,,
O=C(O)c1sccc1SCc1ccc(Cl)c(Cl)c1,CID2765033,,,,,,,,,,,,0.0,,,,,
Cc1csc(NC(=O)CSc2nnc3c4ccccc4nc(C(C)(C)C)n23)n1,CID3227432,,,,,,0.0,,,,,,,,,,,
CC(C)(C)c1nc2ccccc2c2nnc(SCC(=O)Nc3nccs3)n12,CID3227422,,,,,,0.0,,,,,,,,,,,
CC1CN(C(=O)Nc2ccc3c(c2)OCO3)CC(C)O1,CID2955085,,,,,,,,,,0.0,,,,,,,
O=C(Nc1ccc2c(c1)OCO2)N1CCOCC1,CID752004,,,0.0,0.0,,,,,,0.0,0.0,,,,,,
Cc1ccc(NC(=O)CSc2nsc(SCC(=O)Nc3ccc(C)cc3C)c2C#N)c(C)c1,CID1824920,,,,,,,,,,,,,,0.0,,,
Cc1cccc(NC(=O)CSc2nsc(SCC(=O)Nc3cccc(C)c3)c2C#N)c1,CID4397142,,,,,,,,,,,,,,0.0,,,
COc1cccc(OCc2nnc(-c3cccs3)o2)c1,CID2446233,,,,,,,,,,,,,,0.0,,,
CC(=O)Nc1ccccc1OCc1nnc(-c2cccs2)o1,CID2595147,,0.0,,,0.0,,0.0,,,,,,0.0,,,,
O=C(COC(=O)c1cncc(Br)c1)NCc1ccc2c(c1)OCO2,CID2432071,,,,,,,,,,,,,,0.0,0.0,,
CCOc1ncccc1C(=O)OCC(=O)NCc1ccc2c(c1)OCO2,CID2433163,,,,,,,,,,,,,,,0.0,,
CCCCn1c(N)c(N(CCC(C)C)C(=O)CSc2nnc(C)s2)c(=O)[nH]c1=O,CID2571277,,0.0,,,,,,,,,,0.0,,,,0.0,
CC(C)CN(C(=O)CSc1nncs1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O,CID4882675,,,,,,0.0,,,,,,,,,,,
COc1cccc(N2C(SCC(=O)NCc3ccco3)=NN/C2=C2\C=Nc3ccccc32)c1,CID9550841,,,,,,,,,0.0,,,,,,,,
COc1ccc(N2C(SCC(=O)NCc3ccco3)=NN/C2=C2\C=Nc3ccccc32)cc1,CID9550840,,,,,,,,,,,,0.0,,,,,
O=C(c1ncc[nH]1)c1ccccc1C(=O)N1CCOCC1,CID2841856,,,,,,,0.0,0.0,,,,,,,,,
CC1CN(C(=O)c2ccccc2C(=O)c2ncc[nH]2)CC(C)O1,CID2998573,,,,,,,,,,0.0,,,,,,,
C/C(Nc1ccc2c(c1)CCC2)=C1/C(=O)NC(=O)N(C2CCCCC2)C1=O,CID5389534,,,0.0,,,,0.0,,,,,,,,,,
CC/C(Nc1ccc2c(c1)CCC2)=C1/C(=O)NC(=O)N(C2CCCCC2)C1=O,CID5389594,,,,,,,,0.0,,,,,,,,,
COc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1,CID2997539,,,,,,,,0.0,,0.0,0.0,,,,,0.0,
COc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OC,CID2976060,,,0.0,,0.0,,,,,,0.0,,,,,0.0,0.0
CCn1c(SCC(=O)NCc2cccs2)nnc1-c1ccco1,CID655642,,0.0,0.0,,0.0,,0.0,,0.0,,,,,0.0,0.0,0.0,
Cn1c(SCC(=O)NCc2cccs2)nnc1-c1ccco1,CID860185,0.0,0.0,,,0.0,,,,,,,,0.0,0.0,,,
CN(C(=O)c1ccc2c(c1)OCO2)C1(C(=O)NC2CCCCC2)CCCCC1,CID3242929,,,,,,0.0,,,,,,,,,,,
O=C(NC1(C(=O)NC2CCCCC2)CCCCC1)c1ccc2c(c1)OCO2,CID3245886,,,0.0,,,,,,,,,,,,,,
CC(=O)N1CCC(N(CCN2CCOCC2)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1,CID5307759,0.0,,,,,,,,,,,,,,,,
CCc1ccc(NC(=O)N(CCN2CCOCC2)C2CCN(C(C)=O)CC2)cc1,CID3240155,,,,,,,,,,,,,,,,,0.0
COc1ccc(-c2nsc3c(N4CCN(S(=O)(=O)c5ccccc5)CC4)ncnc23)cc1,CID654517,,0.0,0.0,,,,0.0,,,0.0,0.0,,,,,0.0,
COc1ccc(S(=O)(=O)N2CCN(c3ncnc4c(-c5ccccc5)nsc34)CC2)cc1,CID644671,,0.0,,,,0.0,,,,,0.0,,0.0,,,0.0,0.0
O=C(Nc1nccs1)C1CCCN1C(=O)c1cccs1,CID2474608,,,,,,,,,,,,,,0.0,,,
Cc1csc(NC(=O)C2CCCN2C(=O)c2cccs2)n1,CID2540284,,,,,,,,,,,,,,0.0,,,
O=C(NCCCN1CCN(c2ccccc2F)CC1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1,CID5309701,0.0,,,,,,,,,0.0,,,,,,,
COc1ccc(N2CCN(CCCNC(=O)C3CCCN(S(=O)(=O)c4cnc[nH]4)C3)CC2)cc1,CID5307441,,,,,,,,,,,,,,,,0.0,
CC(C)(C)C1CCc2c(sc(NC(=O)c3cc(C4CC4)on3)c2C#N)C1,CID5309708,0.0,,,,,0.0,,0.0,,,,,,,,0.0,
CCOC(=O)c1c(NC(=O)c2cc(C3CC3)on2)sc2c1CCCC2,CID5307410,0.0,0.0,,,,,,,,,,,,,,,
CCCn1nnc(NC(=O)c2ccc(-c3ccccc3)cc2)n1,CID893341,,,0.0,,,,,,,,,,,,,,
CCCCn1nnc(NC(=O)c2ccc(-c3ccccc3)cc2)n1,CID2219056,,,0.0,0.0,,,,,,0.0,,,,0.0,,,
CN1CCN(c2nc(-c3ccco3)cc(C(F)(F)F)n2)CC1,CID756553,,,,,,,,,0.0,,,,,,,,
CCOC(=O)N1CCN(c2nc(-c3ccco3)cc(C(F)(F)F)n2)CC1,CID2990071,,,,,0.0,,,,,,,,,,,,0.0
Cc1ccc(S(=O)(=O)N2CCN(Cc3ccsc3)CC2)cc1,CID777589,,,,,,,,,,,,,,0.0,,,
CC(=O)Nc1sc(C)c(C)c1CN1CCN(S(=O)(=O)c2ccccc2)CC1,CID2104291,,,0.0,,0.0,,,,0.0,,,,,,,,
Cc1ccc(-n2c(SCC(=O)NCc3ccco3)nc3sc(C)c(C)c3c2=O)cc1,CID1292507,,,0.0,,,,,,,,,,0.0,,,,
Cc1sc2nc(SCC(=O)NCc3ccco3)n(-c3ccccc3)c(=O)c2c1C,CID653554,0.0,,,,0.0,0.0,,,0.0,,,,0.0,0.0,0.0,,
O=C(C1=C(O)C(=O)N(Cc2ccccc2)C1c1cccnc1)c1ccco1,CID655344,,,,,,,,0.0,0.0,,0.0,,,,,,
Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)C2c2cccnc2)o1,CID2941245,0.0,,,,,,,,0.0,0.0,,,,,,,
O=C(COc1ccccc1F)N1c2ccccc2CCc2ccccc21,CID2307884,,,,,,,,,,,,,,0.0,,,
COc1ccc(OCC(=O)N2c3ccccc3CCc3ccccc32)cc1,CID1129331,,,,,,0.0,,,,,,,,,,,
O=C(NNS(=O)(=O)c1ccc(Cl)cc1)c1cccs1,CID809224,,,,,,,,,,,,,,,0.0,,
O=C(NNS(=O)(=O)c1ccc(Br)cc1)c1cccs1,CID1114100,,,,,,,,,,,,,,0.0,,,
CCC(=O)Nc1c(C(=O)N2CCCCCC2)cnn1-c1ccc(C)c(C)c1,CID1299412,,0.0,0.0,,,,,0.0,,,0.0,,0.0,,,,0.0
CC(=O)Nc1c(C(=O)N2CCCCCC2)cnn1-c1ccccc1,CID692153,,,,,,0.0,,,,,0.0,0.0,,,,,
Cc1ccc(SCCCCN2C(=O)NC(C)(C)C2=O)cc1,CID2216630,,,,0.0,0.0,,0.0,,,,,0.0,,0.0,,,
CC1(C)NC(=O)N(CCCCSc2ccc(Cl)cc2)C1=O,CID2215920,,,,,,0.0,,,,0.0,,,,,0.0,,
Cc1ccc(C(C(=O)NC2CCCC2)N(C(=O)CCC(=O)Nc2cc(C)on2)c2ccccc2)cc1,CID3210724,,,,,,,,,,,0.0,,,0.0,,,
Cc1ccc(N(C(=O)CCC(=O)Nc2cc(C)on2)C(C(=O)NC2CCCC2)c2ccccc2)cc1,CID3210710,,,,,,,,,,,,,,,0.0,,
CC(C)c1ccc(/C=C/C(=O)n2nnc3ccccc32)cc1,CID6016133,,,,,,,,,,,,0.0,,,,,
C/C(=C\c1ccccc1)C(=O)n1nnc2ccccc21,CID5737607,,,,,,0.0,,,,,,0.0,,,,,
Cc1ccc(C(C(=O)NC2CCCC2)N(Cc2ccco2)C(=O)CCC(=O)Nc2cc(C)on2)cc1,CID3210723,,,,,,,,,,,,0.0,,,,,
Cc1cc(NC(=O)CCC(=O)N(Cc2ccco2)C(C(=O)NC2CCCC2)c2ccccc2C)no1,CID3210716,,,,,,,,,,,,0.0,,0.0,,,
O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1cccs1,CID2168035,,,,,0.0,,,,,,,,,1.0,1.0,,
O=C(Nc1nc(-c2cccs2)cs1)c1ccc(Cl)s1,CID3567787,,,,,0.0,,,,,,,,,,,,
CCOC(=O)c1nc(N2CCN(C(=O)OCC)CC2)c2c3c(sc2n1)CCCC3,CID3243859,,0.0,,,,,,,,,,,,,,,0.0
CCCNC(=S)N1CCN(c2nc(C)nc3sc4c(c23)CCCC4)CC1,CID3193147,,,,,,,,,,,,,,,0.0,,
COC(=O)C1=C(C)NC(=S)NC1c1cccs1,CID2815068,,,,,,0.0,,,,,,,,,,,
COC(=O)C1=C(C)NC(=S)NC1c1sccc1C,CID2891970,,,,,,0.0,,,,,,,,,,,
CCOC(=O)N1CCN(C(=O)C2c3cc(OC)c(OC)cc3C(=O)N3CCc4ccccc4C23)CC1,CID3241409,,,,,,,,0.0,,,,,,,,,
CCN1CCN(C(=O)C2c3cc(OC)c(OC)cc3C(=O)N3CCc4ccccc4C23)CC1,CID3243157,0.0,,,,,0.0,,0.0,,,,,,,,,
Cc1ccccc1-c1nc(CN2CCC(C(=O)NCCC3=CCCCC3)CC2)c(C)o1,CID3241406,0.0,,,,,0.0,,,,,,,,,,,0.0
Cc1oc(-c2ccccc2F)nc1CN1CCC(C(=O)NCCC2=CCCCC2)CC1,CID3236673,0.0,,0.0,,,,,0.0,,0.0,,,,,,,0.0
Cc1ccc(NC(=O)Cc2noc3ccccc23)nc1,CID1235390,,,,,,,,,,,,,,,0.0,,
O=C(Cc1noc2ccccc12)Nc1ccccn1,CID1235386,,,,,,,,,,,,,,,0.0,,
CC(NC(=O)Cc1cccs1)C(c1cccs1)N1CCN(c2ccccc2)CC1,CID3241400,,,,,0.0,,,,,,,,,,,,
CC(NC(=O)Cc1cccs1)C(c1cccs1)N1CCN(c2ccccc2F)CC1,CID3235882,,,,,0.0,,,,,0.0,0.0,,,,,,
CCOC(=O)c1cnc(SCC(=O)N2CCN(c3ccccc3)CC2)nc1N,CID2243516,,0.0,,,,,,0.0,,,,,,,,,
Cc1ccnc(SCC(=O)N2CCN(c3cccc(Cl)c3)CC2)n1,CID980307,0.0,,0.0,0.0,0.0,,,,,,0.0,0.0,,,,,
COc1ccc(N(C(=O)CSc2nnc(-c3ccccc3)n2C)C(C(=O)NC(C)(C)C)c2ccc(C)cc2)cc1,CID3181953,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(C(=O)NC(C)(C)C)N(C(=O)CSc2nnc(-c3ccccc3)n2C)c2ccc(F)cc2)cc1,CID3181960,,,,,,,,,,,,,,0.0,,,
CCN(c1ccc(NC(=O)COC(=O)c2ccc3ccccc3n2)cc1)C(C)C,CID2433711,,,,,,0.0,,,,,,,,,,,
CCN(CC)c1ccc(NC(=O)COC(=O)c2ccc3ccccc3n2)cc1,CID2370747,,,,,,,,,0.0,,0.0,0.0,,,,,
O=C(CSC(=S)N1CCSCC1)c1ccc(Cl)cc1,CID698763,,,,,,,,,,,,,,0.0,0.0,,
O=C(CSC(=S)N1CCSCC1)c1ccccc1,CID744440,,,,,,,,,,,,,,0.0,0.0,,
Cn1cc(SCC(=O)NCC2CCCO2)c2ccccc21,CID4064824,0.0,,0.0,,0.0,,,0.0,,,,,,,,,
CCn1cc(SCC(=O)NCC2CCCO2)c2ccccc21,CID4092136,,,,,,,,0.0,,,,,,,,,
O=C(OCC#CCSc1nnc(-c2ccccc2)o1)c1cccs1,CID661345,,,0.0,0.0,0.0,,0.0,,0.0,0.0,,,0.0,0.0,,,
Cc1ccc(-c2nnc(SCC#CCOC(=O)c3cccs3)o2)cc1,CID1984334,,,,,,,,,0.0,0.0,0.0,,,,0.0,,
[O-][n+]1onc2c1CCc1nnccc1-2,CID548516,,,,,,,,0.0,,,,,,,,,
Cc1cnnc2c1-c1no[n+]([O-])c1CC2,CID609180,,,0.0,,,,,,,,,,0.0,,,,
COc1ccc(S(=O)(=O)NNC(=O)c2cc3cc4ccccc4nc3s2)cc1,CID1485316,,,,,,,,,,,,,,0.0,,,
O=C(NNS(=O)(=O)c1ccccc1)c1cc2cc3ccccc3nc2s1,CID1485309,,,,,,0.0,,,,,,,,,,,
O=C(c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1)N1CCOCC1,CID1069844,0.0,,,,0.0,,,,,,,,,,,,
O=C(c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1)N1CCOCC1,CID1110941,,,,,0.0,,,,0.0,,,,,,,,0.0
COc1ccc(OC)c(C(=O)COC(=O)CNC(=O)C2CCCCC2)c1,CID2099008,,,,,,,0.0,,,,0.0,,,,,0.0,
COc1ccc(C(=O)COC(=O)CNC(=O)C2CCCCC2)c(OC)c1,CID2563347,,,,,,,,,,,,,,,0.0,,
Cc1onc(-c2ccccc2)c1C(=O)Nc1ccccc1N1CCOCC1,CID2083055,0.0,,0.0,,,,,0.0,0.0,,,,,,,,0.0
Cc1onc(-c2ccccc2)c1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1,CID2088972,,,,,0.0,,,,,,,,,,,,0.0
Cn1nc(CC(=O)Nc2ncc(Br)s2)c2ccccc2c1=O,CID2974882,,,,,,,,,0.0,,0.0,,,,,0.0,0.0
Cc1csc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)n1,CID3237802,,0.0,,,,,,0.0,,,,0.0,0.0,,,0.0,
CCn1nnnc1SCC(=O)N1CCOCC1,CID649256,,,,,,,,,,,,,,,,0.0,
CCCn1nnnc1SCC(=O)N1CCOCC1,CID656170,,0.0,0.0,0.0,,,,,,,,,0.0,,,,
Cc1cccc(-c2cc3nc(C)cc(NCCCn4ccnc4)n3n2)c1,CID3229912,,,,,,,,,0.0,,,0.0,,,,,
Cc1cc(NCCCn2ccnc2)n2nc(-c3ccc(F)cc3)cc2n1,CID651844,,0.0,,,,,,,,,,0.0,0.0,,,,
O=C(NC(=S)N1CCCc2ccccc21)c1ccccc1,CID728720,,,,,,0.0,,,,,,,,,,,
O=C(NC(=S)N1CCCc2ccccc21)c1ccc(Cl)cc1,CID2197641,,,,,,,,,,,,,,0.0,,,
O=C(c1ccc(Cl)cc1)N1CCSCC1,CID587190,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C(=O)N2CCSCC2)cc1,CID1251524,,,,,,,,,,0.0,,0.0,,,,,
N#Cc1nc(Cc2cccc3ccccc23)oc1N1CCOCC1,CID663587,,0.0,,,,,0.0,,,,,0.0,0.0,,,,0.0
CC1CN(c2oc(Cc3cccc4ccccc34)nc2C#N)CC(C)O1,CID664674,,,0.0,,0.0,,0.0,,,,,,,,,,
CCOC(=O)Cc1c(Sc2ccccc2)c2ccccc2n1C,CID629758,,,,,,,,,,,,,,0.0,,,
Cc1ccc2c(c1)c(Sc1ccccc1)c(CC(=O)O)n2C,CID2043769,,,,,,,,,,,,,,0.0,,,
CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1,CID3601285,,,,,,,,,,,,,,0.0,,,
Cc1cc(Cl)ccc1OC(C)C(=O)Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1,CID3590295,,,,,,,,,,,,0.0,,,,,
Cc1cc(N2CCN(c3cccc(C)c3C)CC2)nc(-c2ccccc2)n1,CID1448126,,,,,,,,,,,,,,0.0,,,
Cc1cc(N2CCN(c3ccccc3)CC2)nc(-c2ccccc2)n1,CID646531,,,,0.0,,,,0.0,,,,,,,,0.0,
Cc1nnc(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)n1Cc1ccccc1,CID2530535,,0.0,,,,,,,,,,,0.0,0.0,,0.0,
CCCn1c(N)c(C(=O)CSc2nnc(C)n2Cc2ccccc2)c(=O)n(C)c1=O,CID4882120,,,,,,0.0,,,,,,0.0,,,,,
Cc1ccc(CNc2ncccc2-c2nc3cc(Cl)ccc3o2)cc1,CID5195361,,,,,,,,,,,,,,0.0,,,
FC(F)(F)c1cccc(CNc2ncccc2-c2nc3cc(Cl)ccc3o2)c1,CID5186074,,,,,,,,,,,,,,0.0,,,
COc1ccc2c(c1)Cc1sc(NC(=O)c3ccco3)nc1-2,CID2938921,,,,,,,,,,,,0.0,,,,,
COc1ccc(Br)c2c1-c1nc(NC(=O)c3ccco3)sc1C2,CID1309747,0.0,,,,,,,,,,,,,0.0,,0.0,0.0
CC1CN(S(=O)(=O)c2cccc(-c3cn4ccccc4n3)c2)CC(C)O1,CID664053,0.0,,,0.0,,,,,,,0.0,,,,,,
O=S(=O)(c1cccc(-c2cn3cc(Cl)ccc3n2)c1)N1CCOCC1,CID663395,0.0,,,,0.0,,0.0,,,,0.0,,0.0,,,,0.0
Cc1cnc(C(=O)Nc2ccc3c(c2)CCC3)cn1,CID1459738,,,0.0,,,,,0.0,,,,,,,,,
O=C(Nc1ccc2c(c1)CCC2)c1cnccn1,CID1086737,,0.0,0.0,0.0,,,,,,,,0.0,0.0,,,,0.0
CC(=O)N1CCN(C2=NC(=O)C(=C3CCCCC3)S2)CC1,CID820311,,,,,,,,,,,0.0,,,,,,
N#CCCN1CCN(C2=NC(=O)C(=C3CCCCC3)S2)CC1,CID649835,,0.0,0.0,0.0,,,,0.0,,,,0.0,,,,0.0,
Cc1ccc2cc(/C=C3\N=C(c4ccccc4)OC3=O)c(N3CCOCC3)nc2c1,CID1325807,,,,,,,,,,,,,,0.0,,,
Cc1cccc2cc(/C=C3\N=C(c4ccccc4)OC3=O)c(N3CCOCC3)nc12,CID1327487,,,,,,,,,,,,,,0.0,,,
COc1ccccc1N(CC(=O)NCc1ccccn1)S(C)(=O)=O,CID700541,,0.0,,0.0,,,,0.0,0.0,,0.0,,,,,0.0,0.0
COc1ccc(OC)c(N(CC(=O)NCc2ccccn2)S(C)(=O)=O)c1,CID1137097,,,0.0,,,0.0,,,,,,,,,,0.0,
CCOC(=O)C1=C(C)NC(=O)C1(NC(=O)c1cccnc1)C(F)(F)F,CID2962140,,,,,,,,,0.0,,,0.0,,,,,
COC(=O)C1=C(C)NC(=O)C1(NC(=O)c1cccnc1)C(F)(F)F,CID3236447,,,,,,,,0.0,0.0,,,,,,,,
CCn1c(SCc2nnc(-c3ccccc3)o2)nc2c1c(=O)n(C)c(=O)n2C,CID648728,,,,0.0,0.0,,,,,,,,0.0,,,0.0,
CCCCn1c(SCc2nnc(-c3ccccc3)o2)nc2c1c(=O)n(C)c(=O)n2C,CID653305,0.0,,,0.0,0.0,,,,,,0.0,,,,,0.0,
Cc1onc(-c2ccccc2Cl)c1C(=O)NCCn1c(C)cc2ccccc21,CID4230873,0.0,,0.0,,0.0,,,,,,,,,,,0.0,
Cc1onc(-c2ccccc2Cl)c1C(=O)NCCn1ccc2ccccc21,CID3243186,0.0,0.0,,,0.0,,,,,0.0,,,,,,0.0,0.0
O=c1nc(SCc2cccc(Cl)c2)[nH]c2ccccc12,CID724391,,,,,,,,,,,,,,0.0,,,
Cc1ccc(CSc2nc(=O)c3ccccc3[nH]2)cc1,CID724392,,,,,,,,,,,,,,,0.0,,
CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2cnn(-c3ccccc3)c2C)C1c1ccncc1,CID5739212,,,0.0,,,,,,,,,,,,,,
Cc1c(/C(O)=C2\C(=O)C(=O)N(CCCN(C)C)C2c2ccncc2)cnn1-c1ccccc1,CID5389301,,0.0,0.0,,,,,,,,,,,,,,
O=C(O)c1ccccc1NC(=S)NC(=O)c1sc2ccccc2c1Cl,CID1305405,,,,,,,,,,,,,,,0.0,,
Cc1c(NC(=S)NC(=O)c2sc3ccccc3c2Cl)cccc1C(=O)O,CID1314327,,,,,,,,,,,,,,0.0,,,
CC1CCc2c(C(=O)NCCN3CCOCC3)csc2C1,CID3243959,,0.0,,0.0,0.0,,,0.0,,,,,0.0,,,,
O=C(NCCN1CCOCC1)c1csc2c1CCCC2,CID3240025,,0.0,0.0,0.0,0.0,,,0.0,,,,,,,,,
COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)cc1OC,CID1338027,,,,,,,,,,,0.0,,,,,,
COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(C)(=O)=O,CID1163326,,,,,,,,,,,0.0,,,,,,
O=C(Nc1ccc(Br)c2cccnc12)c1ccc(Cn2cc(Cl)cn2)o1,CID1002641,,,,,,,0.0,,0.0,,,,,,,0.0,
Cc1nn(Cc2ccc(C(=O)Nc3ccc(Br)c4cccnc34)o2)c(C)c1Br,CID1002629,,,,,,,,,,,,0.0,,,,,
COc1cc2c(cc1OC)C(C(=O)Nc1cccc(C)n1)C(c1cccnc1)N(C)C2=O,CID3245744,,,,,0.0,0.0,,,,,,,,,,,
COc1cc2c(cc1OC)C(C(=O)Nc1ccccn1)C(c1cccnc1)N(C)C2=O,CID3242388,,,,,0.0,0.0,,,,,,0.0,,,,,0.0
Cc1cc(NC(=O)C(=O)NCCN2CCN(C(=O)c3cccs3)CC2)ccc1Br,CID2300634,,,,,,,,,0.0,,,,,,,,
O=C(NCCN1CCN(C(=O)c2cccs2)CC1)C(=O)Nc1ccc(Br)cc1,CID2931346,,,,,,,,,0.0,,0.0,,,,,,
C/C(=N\NC(=O)Cc1cccc2ccccc12)c1ccncc1,CID902989,,,,,,,,,,,,,,,0.0,,
O=C(Cc1cccc2ccccc12)N/N=C/c1ccncc1,CID739488,,,,,,,,,,,,,,,0.0,,
COC(=O)C1=C(C)N(c2ccc(C)cc2)/C(=C\c2ccc(OCC(=O)Nc3ccccc3)cc2)C1=O,CID1920454,,,,,,0.0,,,,,,,,,,,
COC(=O)C1=C(C)N(c2ccccc2)/C(=C\c2ccc(OCC(=O)Nc3ccccc3OC)cc2)C1=O,CID1907095,,,,,,0.0,,,,,,,,,,,
COCCn1c(=O)[nH]c2cc(C(=O)NCCN3CCN(c4cccc(Cl)c4)CC3)ccc2c1=O,CID3235755,,,0.0,,,,0.0,,,,,,,,,,
COCCn1c(=O)[nH]c2cc(C(=O)NCCN3CCN(c4ccc(OC)cc4)CC3)ccc2c1=O,CID3236676,,,0.0,,,,,,,,,,,,,,0.0
CCOC(=O)N1CCN(C(=O)c2cn(-c3ccc(C)c(C)c3)c(=O)c3ccccc23)CC1,CID3235756,,,0.0,,0.0,,,,0.0,,,,,,,,
CCOc1ccc(-n2cc(C(=O)N3CCN(C)CC3)c3cc(OC)c(OC)cc3c2=O)cc1,CID3240756,,,0.0,,,,,,0.0,0.0,0.0,,,,,,
CCOC(=O)N1CCN(C(=O)CSc2nnc(CNC(=O)c3c(F)cccc3Cl)o2)CC1,CID3235753,,,,,0.0,,,,0.0,,,,0.0,,,,
CCOC(=O)N1CCN(C(=O)CSc2nnc(CNC(=O)c3ccccc3F)o2)CC1,CID3242129,,,,,,,,0.0,,,,,,,,0.0,
O=C(NC1CCCCC1)C(c1ccccn1)N(C(=O)Cc1cccs1)c1ccc(Cl)cc1,CID3191146,,,,,,0.0,,,,,,0.0,,,,,
Cc1cc(C)cc(N(C(=O)Cc2cccs2)C(C(=O)NC2CCCCC2)c2ccccn2)c1,CID3191142,,,,,,0.0,,,,,,,,,,,
N#Cc1ccc(COC(=O)Cn2nnc(-c3ccccc3)n2)cc1,CID2422303,,,,,,,,,,,,,0.0,,0.0,,
O=C(Cn1nnc(-c2ccccc2)n1)OCc1ccccc1,CID2422615,,,0.0,,,0.0,,,,,,,,,0.0,,
O=[n+]1cc(-c2ccccc2)n([O-])c2c1CCC2,CID657769,,,,0.0,,,0.0,0.0,,0.0,0.0,,,,,0.0,
O=[n+]1cc(-c2ccc(F)cc2)n([O-])c2c1CCC2,CID654250,,0.0,,0.0,,,,0.0,,0.0,,,,,,,
CC1CCc2cc(F)cc3c(=O)c(C(=O)NCC4CCCO4)c(O)n1c23,CID661632,,,,,,,,0.0,,,,,0.0,0.0,,,
O=C(NCC1CCCO1)c1c(O)n2c3c(cccc3c1=O)CCC2,CID648325,0.0,,,0.0,0.0,0.0,0.0,,,,,,,,,,0.0
Cn1c(NCC(O)c2ccccc2)nc2c1c(=O)n(Cc1ccc(Cl)c(Cl)c1)c(=O)n2C,CID657766,0.0,,,,,,,,,,,,,,,,
Cn1c(NCC(O)c2ccccc2)nc2c1c(=O)n(Cc1ccc(Cl)cc1)c(=O)n2C,CID657877,0.0,,,,0.0,,0.0,,,,,,,0.0,,0.0,
COc1ccc(-n2ccc(=O)c3c2CCCC3=O)cc1,CID659215,,,,,,,0.0,,0.0,,,,,0.0,,,
COc1ccc(-n2c(C)cc(=O)c3c2CC(C)(C)CC3=O)cc1,CID709712,,,,,,,,0.0,0.0,0.0,0.0,,,,0.0,0.0,
COc1ccc(Oc2nnc(-c3ccc(C)cc3)c3ccccc23)cc1,CID2939087,,,,,,0.0,,,,,,0.0,,0.0,,,
Cc1ccc(Oc2nnc(-c3ccccc3)c3ccccc23)cc1,CID6413250,,,,,,,,,,,,,,,0.0,,
Fc1cccc(CCNCc2ccccn2)c1,CID2250795,,,,,,,,,,,,0.0,,,,,
COc1ccc(CCNCc2ccccn2)cc1OC,CID1618543,0.0,,,,,,,0.0,,,,,,,,,
Cc1ccccc1Nc1nc(CSc2nnnn2-c2ccccc2)cs1,CID2471690,,,,,,,,,,,,0.0,,,,,
Cc1ccc(Nc2nc(CSc3nnnn3-c3ccccc3)cs2)cc1,CID2125861,,,0.0,0.0,,,,,,,,,0.0,,,,0.0
O=C(NCc1ccc(F)cc1)C1CCC(=O)N1CCc1ccccc1,CID3422818,,,,,,0.0,,,,,,,,,,,0.0
Cc1ccc(CNC(=O)C2CCC(=O)N2CCc2ccccc2)cc1,CID3422881,,,,,,0.0,,,,,,,,,,,
O=C(NC1CCCCC1)C1CC(=O)N(c2ccc(Cl)cc2)C1,CID2926635,0.0,0.0,0.0,,,,,,,,,,0.0,,,0.0,0.0
COc1cccc(N2CC(C(=O)NC3CCCCC3)CC2=O)c1,CID2964358,,,,,,,,0.0,0.0,,,,,,,,0.0
O=C1C(NS(=O)(=O)c2cccs2)=C(N2CCN(c3ccccc3)CC2)C(=O)c2ccccc21,CID5156328,,,,,,,,,0.0,,0.0,,,,,,
CCOc1ccccc1N1CCN(C2=C(NS(=O)(=O)c3cccs3)C(=O)c3ccccc3C2=O)CC1,CID1423408,,,,,,,,,,,0.0,,,,,,
O=C(O)CCCNC1=NCCC1,CID2849426,,0.0,,,,,0.0,,,,,,,,,,
O=C(O)CNC1=NCCC1,CID666621,,,,,,,,,,0.0,,,,,,,
CCOC(=O)CSc1nnc(CNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)n1C,CID3240473,,,,0.0,0.0,,,,,,,,0.0,,,,
COC(=O)CSc1nnc(CNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)n1C,CID2159445,,,,,0.0,0.0,0.0,,,,0.0,,,,,0.0,0.0
CCOC(=O)Cc1csc(NC(=O)CSc2nnc(-c3ccncc3)o2)n1,CID1601742,,,,,,,,,,,,,,0.0,,,
Cc1csc(NC(=O)CSc2nnc(-c3ccncc3)o2)n1,CID1263614,0.0,,,,0.0,,0.0,,0.0,0.0,,,,0.0,,0.0,0.0
O=C(O)c1cccc(CN2C(=O)CSC2=O)c1,CID2793381,,,,,,,,,0.0,,,0.0,0.0,,,0.0,
O=C(O)CC1SC(=O)N(Cc2ccccc2)C1=O,CID666564,,,,,,,,,,,,,0.0,,0.0,0.0,
COCCN1Cc2cccc(C(=O)NCc3ccccc3OC)c2C1=O,CID3237782,,0.0,,,,,,0.0,0.0,,,,,,,,
CCCN1Cc2cccc(C(=O)NCc3ccccc3)c2C1=O,CID3236904,0.0,,,,0.0,,0.0,,,,,0.0,,,,,
N#C/C(=C/c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1,CID5739490,,,,,,0.0,,,,,,,,,,,
N#C/C(=C\c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1,CID5936209,,,,,,0.0,,,,,,,,,,,
O=C(CSc1nnc(Cn2cnc3ccccc32)o1)c1ccccc1,CID650345,0.0,,0.0,0.0,,,0.0,0.0,,,,,0.0,,,,0.0
COc1ccc(C(=O)CSc2nnc(Cn3cnc4ccccc43)o2)cc1,CID649098,0.0,0.0,,,,0.0,,,0.0,,0.0,,,,,0.0,
Cc1ccc(CNC(=O)CNC(=O)c2c(C)nn(C)c2Cl)cc1,CID1482920,,,,,,,,,,,,,,,0.0,,
Cc1nn(C)c(Cl)c1C(=O)NCC(=O)NCc1ccccc1,CID4421157,,,,,,,,,,,,,,0.0,0.0,,
O=S(=O)(CCc1nc2ccccc2o1)c1ccc(Cl)c(Cl)c1,CID589416,,,,,,,,,,0.0,,,,,0.0,,
O=S(=O)(CCc1nc2ccccc2o1)c1ccc(Cl)cc1,CID589412,,,,0.0,,,,,,0.0,,,,,,,
CCN1CCCC1CNC(=O)Cn1cccc1C(=O)c1ccccc1C,CID3238774,,,0.0,,,,0.0,,,,,,,0.0,,,0.0
CCN1CCCC1CNC(=O)Cn1cccc1C(=O)c1ccccc1,CID3237511,,,,0.0,,,,,,,,,0.0,,,,0.0
Cc1ccc(-c2noc(CSc3nnc(-c4ccccc4)n3C)n2)cc1,CID1247872,0.0,,,,0.0,,,,,,,,,,,,
COc1ccc(-c2noc(CSc3nnc(-c4ccccc4)n3C)n2)cc1,CID1253767,,,,,,0.0,,,,0.0,,,,,,,
CCn1nnnc1NC(=O)c1ccc2ccccc2c1,CID925601,,,,,,,,,,,,,,,0.0,,
CCCn1nnnc1NC(=O)c1ccc2ccccc2c1,CID934049,,,,,,,,,,,,,,0.0,,,
CCn1nc(C)c(NC(=O)CCCSc2nc(-c3ccco3)cc(C(F)(F)F)n2)c1C,CID653690,0.0,,,,0.0,,,,,0.0,,0.0,,,,,
Cc1nn(C)c(C)c1NC(=O)CCCSc1nc(-c2ccco2)cc(C(F)(F)F)n1,CID3148161,,,,,,,,,,0.0,,0.0,,,,,
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc(F)cc1,CID1968092,,,,,,0.0,,,,,,,,,,,
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1,CID1372339,,,,,,0.0,,,,,,,,,,,
CCOC(=O)C(NC(=O)c1ccccc1)(N1CCOCC1)C(F)(F)F,CID389129,,,,,,,,,,,,,,,,,0.0
CCOC(=O)C(NC(=O)c1ccc(OC)cc1)(N1CCOCC1)C(F)(F)F,CID661138,,,,,,,0.0,,0.0,,,0.0,,,,,0.0
Cc1ccc2c3c1C(=O)C(=O)N3C(C)(C)CC2C,CID2952749,,,,,,0.0,,,,,,,,,,,
CCOc1cc2c3c(c1)C(C)CC(C)(C)N3C(=O)C2=O,CID2967270,,,,,,0.0,,,,,,,,,,,
Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)NC(=O)NC1CCCCC1,CID2116369,,,,,,0.0,,,0.0,,,,0.0,,,,
Cc1nn(-c2ccccc2)c(Cl)c1C(=O)OC(C)C(=O)NC(=O)NC1CCCCC1,CID3310419,,,,,,0.0,,,,,,,,,,,
CCc1ccccc1Nc1nc(N)nc(COC(=O)c2cccn2C)n1,CID2572814,,0.0,,,,,,,,,,,,,,,
Cc1ccccc1Nc1nc(N)nc(COC(=O)c2cccn2C)n1,CID2550328,,0.0,,,,,,,,,,,,,,,
Cc1ccc(CN2CC34C=CC(O3)C(C(=O)NCc3ccco3)C4C2=O)cc1,CID3243023,,,,,,,,,,,,,0.0,,,,
CC12C=CC3(CN(Cc4ccccc4)C(=O)C3C1C(=O)NCc1ccco1)O2,CID3235888,,,0.0,,,,,,,0.0,0.0,,,,,,0.0
Cc1cc(C)n(-c2nc(=O)cc(C)[nH]2)n1,CID657640,,0.0,,0.0,,,0.0,0.0,,,,,,0.0,0.0,,
Cc1cc(=O)nc(-n2ncc(C#N)c2N)[nH]1,CID700956,,,,,,,,,,,,,,0.0,,,
O=C(c1ccc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)N1CCOCC1,CID984539,0.0,,,,0.0,,,0.0,,,,,,,,,0.0
CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)cc1,CID1236439,,,,,,0.0,,,,0.0,,,,,,,
COc1cccc(CNC(=O)CCS(=O)(=O)c2cccs2)c1,CID4615671,,,,,,0.0,,,,,,,,,,,
COc1ccccc1CNC(=O)CCS(=O)(=O)c1cccs1,CID3237297,,,0.0,,0.0,,0.0,,,0.0,,,0.0,,,,
Cc1ccc(N2CC(C(=O)N3CCN(c4ccccc4)CC3)CC2=O)cc1,CID2963133,0.0,,,,,,,,,,,,,,,,
CCOc1ccc(N2CC(C(=O)N3CCN(c4ccccc4)CC3)CC2=O)cc1,CID4001916,,,,,,,,,,,,,,,0.0,,
S=c1sc2c(N3CCOCC3)ncnc2n1-c1ccccc1,CID2921622,0.0,,0.0,,0.0,,0.0,,0.0,0.0,,0.0,,,0.0,,
CCCc1nc(N2CCOCC2)c2sc(=S)n(-c3ccccc3)c2n1,CID1520548,,,,,,0.0,,,,,,,,0.0,,,
COc1ccc(N2CCN(C(=O)CN3C(=O)C4CC=CCC4C3=O)CC2)cc1,CID2999161,,,,,,,,0.0,,,,,,,,,
CC(C(=O)N1CCN(c2ccccc2)CC1)N1C(=O)C2CC=CCC2C1=O,CID2999491,,,,,,,,0.0,,,,,,,,,
COc1ccc(C(=O)CC(c2ccccc2)C2CCCCC2=O)cc1,CID591614,,,,,,,,,,0.0,,,,,,,
CN(C)c1ccc(C(CC(=O)c2ccccc2)C2CCCCC2=O)cc1,CID2907915,,,,,,,,,,,,,,,0.0,,
Cc1cccc(OCCC(=O)OCC(=O)N2CCc3ccccc32)c1,CID2121350,,,,,,,0.0,,,,,,,,,0.0,
Cc1ccc(OCCC(=O)OCC(=O)N2c3ccccc3CC2C)cc1,CID2998513,,,,,,,0.0,,,,0.0,,,,,,
CCOC(=O)N1CCC(NC(=O)CCc2nc(-c3ccccc3F)no2)CC1,CID3241076,,,0.0,,,,,0.0,,,0.0,,,0.0,,,
CCOC(=O)N1CCC(NC(=O)CCc2nc(-c3ccc(C)cc3)no2)CC1,CID3242972,0.0,,,,,,,,,,,,,0.0,,,
CCC(C(=O)NC(C)CCc1ccccc1)n1nc(C)n2c(cc3occc32)c1=O,CID3241079,,,0.0,,0.0,,,,,,,,,,,,
Cc1nn(C(C)C(=O)NCCCc2ccccc2)c(=O)c2cc3occc3n12,CID9550667,,,,,,,,,,,0.0,,,,,,
Cc1ccc(N/C=C2\C=CC(=O)C=C2O)cc1F,CID5332379,,,0.0,,,,,,,,,,,,,,
COc1cccc(N/C=C2\C=CC(=O)C=C2O)c1,CID5339139,,,,,,0.0,,,,,,,,,,,
COc1ccccc1CC1C(=O)C2CCN1CC2,CID2882889,,,,,,0.0,,,,0.0,0.0,,,,,,
O=C1C2CCN(CC2)C1Cc1ccccc1O,CID608954,,,,,,,,,,0.0,,0.0,,,,,
Cc1ccc(C(=O)NCCc2csc(C)n2)cc1,CID7119100,,,,,,,,,,,,,,0.0,,,
Cc1nc(CCNC(=O)c2ccccc2)cs1,CID3244736,,,,,0.0,,0.0,0.0,,,,,,,,,0.0
Cc1cccc(/C(N)=N/OC(=O)CCc2ccccc2)c1,CID5348602,,,,,,0.0,,,,,,,,,,,
N/C(=N\OC(=O)CCc1ccccc1)c1ccc(Br)cc1,CID5348668,,,,,,,,,,,,0.0,,,,,
CSc1nsc(SC)c1C(=O)Nc1ccc(C)cc1,CID684587,,,,,,,,,0.0,,,,,0.0,,,
COc1ccc(NC(=O)c2c(SC)nsc2SC)cc1,CID671720,,,,,0.0,,,,0.0,,,,,,0.0,,
Cc1ccc2c(c1)N(CCC(=O)NCc1cccs1)C(=O)C(C)O2,CID4695008,,,,,,,,,,0.0,,,,,,,
O=C(CCN1C(=O)COc2ccccc21)NCc1cccs1,CID3244318,,,,,0.0,,,,,,,0.0,,,,,
COc1ccc(C(=O)N/N=C/c2ccc3cccc(OCc4ccccc4)c3n2)cc1,CID1237301,,,,,,0.0,,,,,,0.0,,,,,
O=C(N/N=C/c1ccc2cccc(OCc3ccccc3)c2n1)c1ccc(Br)cc1,CID11958385,,,,,,,,,,,,0.0,,,,,
COc1ccc(CCN2C(=O)CC(Sc3ncccc3C(=O)O)C2=O)cc1OC,CID2938652,,,,,,,,0.0,,0.0,,,,,,0.0,
O=C(O)c1cccnc1SC1CC(=O)N(CCc2ccccc2)C1=O,CID2971670,,,,,,,,,,0.0,,,,,,,
COc1ccc(-c2cc(C(F)(F)F)nc(NC3CCCC3)n2)cc1OC,CID3245016,,,,,0.0,,,,,,,,,,,,
FC(F)(F)c1cc(-c2ccccc2)nc(NC2CCCC2)n1,CID6621133,,,,,,,,,,,,0.0,,,,,
COc1ccccc1-c1cc(C(=O)NCCCn2ccnc2)no1,CID3245017,0.0,,,,,,,,,,,,,,,,
COc1ccc(OC)c(-c2cc(C(=O)NCCCn3ccnc3)no2)c1,CID3236500,0.0,0.0,0.0,,,,,0.0,,,,,,,,,
COc1cc2c(cc1O)CCN(C(=O)c1ccco1)C2C,CID2898369,,,,,,,,,,0.0,,,,,,,
COc1cc2c(cc1OC)CN(C(=O)c1ccco1)CC2,CID751492,,,,,,,,,,,,,,0.0,,,
Cc1ccc(CCN2CC(C(=O)NCCCN3CCCCCC3)CC2=O)cc1,CID3237466,,,0.0,,,,,0.0,,,,0.0,,,,,0.0
O=C(NCCCN1CCCCCC1)C1CC(=O)N(CCc2ccccc2)C1,CID3240318,0.0,,,,,,,0.0,,,,,,,,,0.0
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C21CCN(C(=O)OCc2ccccc2)CC1,CID1282684,0.0,,,,,,,,0.0,,,,,,,,0.0
N#CC1=C(N)OC2=C(C(=O)CCC2)C12CCN(C(=O)OCc1ccccc1)CC2,CID645311,0.0,,,,,0.0,,,0.0,,,,0.0,,,0.0,
CCOC(=O)C1=C(C)N=C2c3ccccc3C(=O)C2C1c1ccc(C)cc1,CID2858879,,,,,,0.0,,,,,,,,,0.0,,
CCOC(=O)C1=C(C)N=C2c3ccccc3C(=O)C2C1c1ccc(Cl)cc1,CID2858758,,,,,,0.0,,,,,,,,,,,
COC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccc(OC)cc1,CID2329324,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccc(S(=O)(=O)N(CCOC)CCOC)cc1,CID4048244,,,,,,,,,,,,,,0.0,,,
Cc1cccc(N/C=C2/C(=O)Oc3ccccc3C2=O)n1,CID5533049,,,,,,,,0.0,,,,,,,,0.0,
O=C1Oc2ccccc2C(=O)/C1=C/Nc1ccccn1,CID5397994,,,,,,,,,,,,,,,,0.0,
Cc1cc(NCc2ccccn2)nc2ccccc12,CID747011,,,,,,0.0,,,,,,,,,,,
c1ccc(CNc2ccc3ccccc3n2)nc1,CID873112,,,,0.0,,0.0,0.0,,,,0.0,,,,,0.0,
CC(=O)Cc1nsc(NC(=O)c2ccc(COc3ccccc3)o2)n1,CID646358,0.0,,,,0.0,,,,,,0.0,,,0.0,,0.0,
CC(=O)Cc1nsc(NC(=O)c2ccc(COc3ccc(C)cc3)o2)n1,CID1096072,0.0,0.0,0.0,,0.0,,,0.0,,,,,,,0.0,0.0,0.0
Cc1ccc(-n2c(SCC(=O)N3CCOCC3)nnc2-c2cccnc2)cc1,CID646352,0.0,,,,,,,0.0,,,0.0,,,,,0.0,0.0
Cc1ccc(-n2c(SCC(=O)N3CCOCC3)nnc2-c2cccnc2)cc1C,CID647554,0.0,,0.0,,,,,0.0,,,,,,,,,0.0
CCOC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1,CID646353,,,,0.0,,,,0.0,,,,,,,,0.0,
CCN1CCN(S(=O)(=O)Cc2ccccc2)CC1,CID645383,,0.0,,0.0,0.0,,,,,,,0.0,0.0,,,,0.0
CC(c1ccccc1)C1C(C#N)=C(N)SC(N)=C1C#N,CID646356,,,,,,,0.0,,,0.0,,,,,,0.0,
N#CC1=C(N)SC(N)=C(C#N)C1Cc1ccccc1,CID789979,,,,,,,,,,0.0,,,,,,,
COc1ccc(C(=O)NCC(=O)NCC(c2ccco2)N(C)C)cc1OC,CID4881633,,,,,,,,,,,,,,0.0,,,
COc1ccccc1C(=O)NC(CCSC)C(=O)NCC(c1ccco1)N(C)C,CID2998976,,0.0,,,,,,,,,,,,,0.0,,
CN1CCN(C(=O)c2cc3sccc3n2CC(=O)c2ccccc2)CC1,CID648197,0.0,,,,0.0,,,,,,,0.0,,,,,
CCN1CCN(C(=O)c2cc3sccc3n2CC(=O)c2ccccc2)CC1,CID655647,,0.0,0.0,,0.0,,,,,,,,0.0,,,,0.0
CCOc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)C(C(=O)NC1CCCC1)c1ccco1,CID648194,,,,,0.0,,0.0,,,,,,,,,0.0,
COc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)C(C(=O)NC1CCCC1)c1ccco1,CID651620,,,,0.0,0.0,,,,,,,,,,,,
O=C(c1ccco1)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1,CID648195,,,,,,,,,,,0.0,,,,,,
O=C(c1ccco1)N1CCC(c2nc(-c3ccccc3Cl)no2)CC1,CID648228,,,,0.0,,,,,,,,,0.0,0.0,,0.0,0.0
COCCNc1nc(SCC(=O)N2CCN(c3ccccc3OC)CC2)nc2ccccc12,CID3245097,,,,,,,,0.0,,,,,,,,0.0,
COCCNc1nc(SCC(=O)N2CCN(c3ccccc3)CC2)nc2ccccc12,CID3244630,,,,,,,,0.0,,,,,,,,0.0,
CCOc1ccc(NC(=O)CN2CCC(NC(=O)C3CCCCC3)CC2)cc1,CID647086,,,,,,0.0,0.0,,0.0,,,,,,,0.0,0.0
COc1ccc(NC(=O)CN2CCC(NC(=O)C3CCCCC3)CC2)cc1,CID653423,0.0,,0.0,0.0,,,0.0,0.0,0.0,,,0.0,,,,,0.0
CS(=O)(=O)N(CCc1ccccc1)CC(=O)N1CCCCC1,CID955961,,,,0.0,,,,,0.0,,,0.0,0.0,,,,
CC1CCN(C(=O)CN(CCc2ccccc2)S(C)(=O)=O)CC1,CID651497,,,,0.0,,,,,0.0,,,,,,0.0,,0.0
CCOC(=O)C1CCN(S(=O)(=O)c2cc(Br)cc3c2N(C(=O)C2CC2)CC3)CC1,CID3240537,,,,,,,,,0.0,,0.0,,,,,0.0,0.0
CCOC(=O)C1CCCN(S(=O)(=O)c2cc(Br)cc3c2N(C(=O)C2CC2)CC3)C1,CID3244145,,,,,,,,,,,,,,,,0.0,
CCCCc1c(O)n(-c2ccc(Cl)cc2)c(-c2cccnc2)cc1=O,CID4519251,,,,,,0.0,,,,,,,,,,,
CCc1c(O)n(-c2ccccc2)c(-c2cccnc2)cc1=O,CID825081,,,,,,,,,,,,0.0,,,,,
O=C(CC1CCCCC1)NCCCN1CCOCC1,CID2286376,0.0,0.0,,0.0,,,0.0,0.0,,,0.0,0.0,,,,,
CCOC(=O)C(C(=O)NCCCN1CCOCC1)C1CCCCC1,CID2899946,,,,,,,,,0.0,,,,,,,,
CC(C)n1c(Nn2cnnc2)nc2ccccc21,CID1264140,,,0.0,0.0,,,,0.0,,,,0.0,,,,,
Cn1c(Nn2cnnc2)nc2ccccc21,CID655456,,0.0,,0.0,,,,,,,0.0,0.0,,,,,
COc1cccc(-c2cc(=O)c3cc(NC(=O)c4ccc(N(C)C)cc4)ccc3[nH]2)c1,CID9547773,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)Nc2ccc3[nH]c(-c4cccc(OC)c4)cc(=O)c3c2)cc1,CID9547776,,,,,,,,,,,,,,0.0,,,
O=C(c1c(-c2ccccc2)oc2ccc(O)cc12)N1CCOCC1,CID745548,,,,,,,0.0,,,,,0.0,0.0,,,0.0,
COc1ccc2oc(-c3ccccc3)c(C(=O)N3CCOCC3)c2c1,CID707882,0.0,,,,,,0.0,,,,,,0.0,,,,
COc1ccc(C(=O)Cn2c(N3CCCCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1OC,CID662930,0.0,,,0.0,,,,,,,,,,,,,
COc1cccc(C(=O)Cn2c(N3CCCCC3)nc3c2c(=O)n(C)c(=O)n3C)c1,CID659412,0.0,,,,,,,0.0,,,0.0,,,,,,
O=C1/C(=C/c2ccccc2)CSc2sccc21,CID1488868,,,,,,,,,,0.0,,,,,,,
O=C1/C(=C/c2cccc(F)c2)CSc2sccc21,CID1488872,,,,,,0.0,,,,0.0,,,,,,,
CC1(C)Cc2c(c(-c3ccccc3)[nH]c(=O)c2C#N)CO1,CID645645,,,0.0,,0.0,,,,0.0,,,,,,,,
CC1(C)Cc2c(c(-c3ccccc3Cl)[nH]c(=O)c2C#N)CO1,CID657750,0.0,0.0,,0.0,,,,,,0.0,,,,0.0,,,0.0
Cc1cc(-c2nnco2)c(C)n1-c1ccccc1,CID2372894,0.0,0.0,,,,,0.0,,,,,,,,,0.0,
Cc1cc(-c2nnco2)c(C)n1-c1ccc(F)cc1,CID2337217,,,,,,,,,,,0.0,,,,,,
Cc1cccc(C(=O)N2CCC(n3nnc4cc(F)ccc43)CC2)c1,CID645649,,0.0,,0.0,,,,,,,,,,,,,
CCOc1ccccc1C(=O)N1CCC(n2nnc3cc(C)ccc32)CC1,CID648039,0.0,,0.0,,,0.0,0.0,0.0,,0.0,,,0.0,,0.0,,
CCOC(=O)c1sc2nc(N3CCOCC3)c3c(c2c1N)CC(C)(C)N(C)C3,CID1072534,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1sc2nc(N3CCOCC3)c3c(c2c1N)CCN(C)C3,CID1071980,,0.0,,,,,,0.0,,,,0.0,,,,,
O=C1C=C(N2CCN(C3=CC(=O)CCC3)CC2)CCC1,CID658450,,,0.0,,,,,,,,,,0.0,,,,
CC1(C)CC(=O)C=C(N2CCN(C3=CC(=O)CC(C)(C)C3)CC2)C1,CID648648,0.0,,0.0,,,,,,,,,,,,,,
CC1CCCN(c2ccc(C(=O)NCCc3ccccc3)cn2)C1,CID647867,,,0.0,,,,,,0.0,,,,,,,,
CC1CCN(c2ccc(C(=O)NCCc3ccccc3)cn2)CC1,CID651259,0.0,,,,,,,,,,,,,,,,
O=C(OCC(=O)c1cccs1)c1ccccc1,CID875199,,,,,,,0.0,,0.0,,,,0.0,,,,
CN(C)c1ccc(C(=O)OCC(=O)c2cccs2)cc1,CID648435,,,,,,,,,,,,,0.0,,,0.0,0.0
O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N(c1ccccn1)c1ccccn1,CID5220356,,,,,,,,,,,,,,,0.0,,
O=C(c1ccc([N+](=O)[O-])cc1)N(c1ccccn1)c1ccccn1,CID766540,,,,,,,,,,,,,,,0.0,,
Cc1ccc(SCc2[nH]nc3c2C(c2ccc(C)o2)C(C#N)=C(N)O3)cc1,CID660197,,,,,,0.0,,,,,,,0.0,,,0.0,
Cc1ccc(SCc2[nH]nc3c2C(c2ccco2)C(C#N)=C(N)O3)cc1,CID2961855,,0.0,,,,,,,,,,,,,,,
O=CN1CCC(=O)N(Cc2ccccc2)c2ccccc21,CID777857,,,0.0,,0.0,,,,0.0,,,,0.0,,,0.0,
CC1CC(=O)N(Cc2ccccc2)c2ccccc2N1C=O,CID3239421,,,,0.0,0.0,,,,,,,,,,,0.0,
Cc1ccc(C(=O)COC(=O)CNS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-],CID1613606,,,,,,,,,,,,0.0,,,,,
COc1ccc(C(=O)COC(=O)CNS(=O)(=O)c2ccc(C)cc2)cc1,CID2363440,,,,,,,,,,,,,,0.0,0.0,,
Cc1c(CN(C)C(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)cnn1C,CID653338,0.0,0.0,,,0.0,,,,,,,,,,,,0.0
CCn1cc(CN(C)C(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)c(C)n1,CID1152703,0.0,,,,0.0,,,,,,,,,,,,0.0
CCCn1c(=C(C#N)C#N)s/c(=C2/C=Cc3ccccc3N2CC)c1=O,CID653339,0.0,,,,,,0.0,,,,,,,,,0.0,
CCOC(=O)/C(C#N)=c1/s/c(=C2/C=Cc3ccccc3N2CC)c(=O)n1CC,CID1279386,,,,,,0.0,,,,,,,,,,,
Cc1ccccc1C(=O)NNC(=S)NC(=O)COc1ccccc1,CID1790631,,,,,,,,,,,,0.0,,,,,
Cc1ccc(C(=O)NNC(=S)NC(=O)COc2ccccc2)cc1,CID1790637,,,,,,,,,,,,0.0,,1.0,,,
CCC(C)/N=C/c1c(NCc2ccco2)nc2c(C)cccn2c1=O,CID4194806,,,,,,0.0,,,,,,,,,0.0,,
O=Cc1c(NCc2ccco2)nc2ccccn2c1=O,CID1083179,,,,,,,,,,,,,,,0.0,,
CCn1cc(C(=O)OC(C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)c2ccc(C)nc21,CID2999248,0.0,,,,,,,,,0.0,,0.0,0.0,,,,
CCn1cc(C(=O)OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)c2ccc(C)nc21,CID1154395,,0.0,,,,,,,,,,,,,,,
CCC(C)N(C(=O)COC(=O)c1cn(CC)c2nc(C)ccc2c1=O)C1CCS(=O)(=O)C1,CID2999249,,,,0.0,,,0.0,,,0.0,,,,,,,0.0
CCn1cc(C(=O)OCC(=O)N(C)C2CCS(=O)(=O)C2)c(=O)c2ccc(C)nc21,CID2998613,,,,,,,,,,,,,,0.0,,,0.0
COc1cc(C2C(C(=O)OC(C)C)=C(C)Nc3[nH]c(=O)[nH]c(=O)c32)ccc1O,CID2999242,,0.0,0.0,,0.0,,,,,,,,,,,,
COC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)C1c1ccc(C)cc1,CID3690045,,,,,,,,,,,,,,,0.0,,
N#Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1,CID2394618,,,0.0,,0.0,,,,,,,0.0,,,,,
N#Cc1ccccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1,CID2544132,,,,,,,,,,,0.0,,,,,,
O=C(OCCN1C(=O)c2ccccc2C1=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F,CID2394619,,,,,,,0.0,,,,,,,,,,
O=C(OCCN1C(=O)c2ccccc2C1=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl,CID2390996,,,,,,,0.0,,0.0,,,,0.0,,,,
COc1ccc2nc(NC(=O)CSc3nccc(C)n3)sc2c1,CID1169519,,,,,,,,,0.0,0.0,0.0,,,,,,
COc1ccc2nc(NC(=O)CSc3nc(C)cc(C)n3)sc2c1,CID1035312,,,,,,,,,0.0,,,,,,,,
Cc1oc(-c2ccccc2Cl)nc1CSCC(=O)N1CCCC1,CID3242681,0.0,0.0,,,0.0,,0.0,,,,,,,,,,0.0
Cc1ccc(-c2nc(CSCC(=O)N3CCCC3)c(C)o2)cc1,CID3243729,0.0,0.0,,0.0,,,,0.0,,,,,,,,,
CCOc1ccc(CCNC(=O)C2CC(=O)N(C3CCCC3)C2)cc1OCC,CID3237552,,,0.0,,0.0,,,,,0.0,,,,,,,
COc1ccc(CCNC(=O)C2CC(=O)N(C3CCCC3)C2)cc1OC,CID3236970,,,,0.0,,,,,0.0,,,,,,,,
Cc1nc(NCCc2ccccc2F)c(C#N)c(C)c1[N+](=O)[O-],CID3103362,,,,,,,,,,,,0.0,,,,,
Cc1cc(C)c(C(N)=O)c(NCCc2ccccc2)n1,CID957649,,,0.0,0.0,,,,0.0,,,,0.0,,,,0.0,
COc1ccc(CCNC(=O)c2c(N)n(CCN3CCOCC3)c3nc4ccccc4nc23)cc1,CID1981065,,0.0,,,,,,,,0.0,,,,,,,
Nc1c(C(=O)NCCc2ccccc2)c2nc3ccccc3nc2n1CCN1CCOCC1,CID659097,,0.0,,,,,0.0,,,,,,,,,0.0,
CCOC(=O)c1ccccc1OCc1cc(/C=N/n2cncn2)ccc1OC,CID658828,0.0,0.0,,,0.0,,,,,,,0.0,,0.0,,,
COc1ccc(/C=N/n2cncn2)cc1COc1ccc(NC(C)=O)cc1,CID658333,0.0,0.0,0.0,0.0,,,,,,,0.0,,,,,,
O=C(Cn1c(=O)[nH]c2ccsc2c1=O)NC1CCCCC1,CID3244218,,0.0,,,0.0,,0.0,,,,,,,,,,
CC1CCC(NC(=O)Cn2c(=O)[nH]c3ccsc3c2=O)CC1,CID3240619,,,,,0.0,,,,0.0,0.0,,0.0,,,,0.0,
COc1ccc(OC)c(NC(=O)CNC(=O)Cn2ccc3ccccc3c2=O)c1,CID5308208,,,,,,,,,,,,0.0,,,,,
COc1ccc(C)cc1NC(=O)CNC(=O)Cn1ccc2ccccc2c1=O,CID3237900,,,,,,,,,,,,,0.0,,,,
O=C(CNS(=O)(=O)c1cccc(Cl)c1)OCc1csc(-c2ccccc2)n1,CID2467851,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)NCC(=O)OCc2csc(-c3ccccc3)n2)cc1,CID2110219,,,,,,,,,,,,,,,0.0,,
CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCC(=O)NCc2ccco2)c1,CID2432471,,,,,,,,,,,,,,,0.0,,
Cc1ccc(NS(=O)(=O)c2cccc(C(=O)OCC(=O)NCc3ccco3)c2)cc1,CID2999831,,,,,,0.0,,0.0,,,,,0.0,,,,
O=c1cc(-c2ccccc2F)nc(-c2ccccc2F)o1,CID921563,,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3O)cc(=O)o2)cc1OC,CID1420831,,,,,,,,,,,,,,,0.0,,
COc1ccc(OC)c(NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)c1,CID1280585,,,,,,,,,,,,,,0.0,,,
CSc1ccccc1NC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O,CID2208116,,,,,,0.0,,,,,,,,0.0,,,
CCOc1ccc(CCNC(=O)C2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)cc1OCC,CID3245939,,,,,0.0,,0.0,,,,,,,,,,
Cc1ccc(CCNC(=O)C2CCCN(S(=O)(=O)c3c(C)nn(C)c3C)C2)cc1,CID5308465,,,0.0,0.0,,,0.0,,,,,,0.0,,,,0.0
COc1ccc(CCNC(=O)CCNS(=O)(=O)c2cccc3nsnc23)cc1OC,CID3245930,,0.0,,,0.0,,,,,,,,,,,,
O=C(CCNS(=O)(=O)c1cccc2nsnc12)NCCc1ccccc1,CID3245325,,,,,0.0,,,,,,,,0.0,,,,0.0
COCCn1c(=O)[nH]c2cc(C(=O)NCCc3ccc(OC)c(OC)c3)ccc2c1=O,CID3245935,,0.0,,,,,,,,,,,0.0,,,,
CCCCCn1c(=O)[nH]c2cc(C(=O)NCCc3ccc(OC)c(OC)c3)ccc2c1=O,CID9551429,,,,,,0.0,,,,,0.0,,,,,,
Cc1nn2cc(-c3ccccc3)[nH]c2nc1=O,CID614632,,,,,,0.0,,,,,,0.0,,0.0,,,
O=C(O)CCc1nn2cc(-c3ccccc3)[nH]c2nc1=O,CID658385,,0.0,0.0,0.0,,,,,,,,,,,,,
O=C1CCC(/C=C/c2ccccc2)=NN1Cc1ccccc1Cl,CID1471706,,,,,,,,,0.0,,,0.0,,,,,
COc1ccc(/C=C/C2=NN(Cc3ccccc3)C(=O)CC2)cc1,CID1475387,,,,,,,,,,,,,,0.0,,,
Cc1ccc(N2C(=O)C3C4CC(=O)C(c5ccccc54)C3C2=O)cc1C,CID4584586,,,,,,,,,,,,,,0.0,,,
Cc1ccc(N2C(=O)C3C4CC(=O)C(c5ccccc54)C3C2=O)cc1,CID2832441,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(=O)C2CCCN(Cc3cccn3-c3cccnc3)C2)cc1OC,CID16190379,,,,,,,,,,,,,,,0.0,,
COc1ccc(F)cc1C(=O)C1CCCN(Cc2cccn2-c2cccnc2)C1,CID16191104,,,,,,,,,,,,,,,0.0,,
O=[N+]([O-])c1ccc(NNC(=S)Nc2ccc(F)cc2)cc1,CID3127155,,,,,,,,,,0.0,,,,0.0,,,
O=[N+]([O-])c1ccc(NNC(=S)Nc2ccccc2)cc1,CID4230055,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cccn3C)C2=O)cc1,CID11839286,,,,,,0.0,,,,,,,,,,,
Cn1cccc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O,CID1228063,,,,,,,,,,,,,,,0.0,,
COCCN(C(=O)CNC(=O)c1ccco1)C(C(=O)NC1CCCCC1)c1cccs1,CID3211750,,,,,,,,,0.0,,0.0,,,,,,
CCOC(=O)CN(C(=O)CNC(=O)c1ccco1)C(C(=O)NC1CCCCC1)c1cccs1,CID3211739,,,,,,,,,0.0,,0.0,,,,,,
O=C(CCCOc1ccccc1)Nc1nnc(C2CCCO2)s1,CID653034,,0.0,,,0.0,,,,,,,,,,,,0.0
COc1ccc(OCCCC(=O)Nc2nnc(C3CCCO3)s2)cc1,CID645252,,,0.0,,0.0,,0.0,,,,,,0.0,,,0.0,0.0
COc1cccc(/C=N/n2c(-c3ccco3)nc3ccccc3c2=O)c1,CID653033,0.0,,0.0,,,,0.0,,0.0,,,0.0,,,,,
COc1ccc(/C=N/n2c(-c3ccco3)nc3ccccc3c2=O)cc1,CID780407,,,,,,,,,0.0,,,0.0,,0.0,,,
O=C(CSc1nnc(-c2ccc(Cl)s2)o1)N1CCc2ccccc21,CID2155775,,0.0,,,,,,,0.0,,,,,,,,
O=C(CSc1nnc(-c2cccs2)o1)N1CCc2ccccc21,CID860215,0.0,0.0,,0.0,0.0,,0.0,,0.0,0.0,0.0,,0.0,,,,
O=C(CSc1nnc(-c2ccc(Cl)s2)o1)N1CCCc2ccccc21,CID2155776,,,,,0.0,,,,,,,,,0.0,,,
O=C(CSc1nnc(-c2cccs2)o1)N1CCCc2ccccc21,CID650743,0.0,0.0,,,0.0,,,,0.0,0.0,0.0,,,0.0,0.0,,0.0
O=C(Cc1cccs1)Nc1ccc(NC(=O)c2ccco2)cc1,CID653038,,,0.0,,0.0,,,,,,0.0,,,,,,
Cc1cc(NC(=O)c2ccco2)ccc1NC(=O)Cc1cccs1,CID1085311,,,,,,,,,,,0.0,,,,,,
CCOC(=O)N1CCN(C(=O)CSc2nnc(-c3ccc(Cl)s3)o2)CC1,CID2155773,,,,0.0,,,,,0.0,,0.0,,,,,,
CCOC(=O)N1CCN(C(=O)CSc2nnc(-c3cccs3)o2)CC1,CID2155761,0.0,0.0,,0.0,0.0,0.0,0.0,,,0.0,,,0.0,,,,
O=C(Cn1nnc(-c2ccccc2)n1)NCc1ccc2c(c1)OCO2,CID648011,0.0,0.0,0.0,0.0,,,,,,,,,,,0.0,,
Cc1ccccc1-c1nnn(CC(=O)NCc2ccc3c(c2)OCO3)n1,CID2997508,0.0,,,0.0,,,,,,,,0.0,,,,,0.0
O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccco1,CID2237261,,,,0.0,,,,,,,,,,,,,0.0
O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccc(Br)o1,CID1288515,,,,,,,,,0.0,,,,,,,,
O=S(=O)(c1cccs1)N1CCN(c2ccccn2)CC1,CID2936694,0.0,,,,0.0,,,,,,,,,,,,
O=S(=O)(c1ccc(Br)s1)N1CCN(c2ccccn2)CC1,CID2942845,,,,,,,,,0.0,,0.0,,,,,0.0,
O=C(O)c1cc(Br)ccc1NN=C1CCCCC1,CID900011,,,,,,,,,,,,,,,0.0,,
O=[N+]([O-])c1ccc(NN=C2CCCCC2)c([N+](=O)[O-])c1,CID74117,,,,,,0.0,,,,,,,,,,,
CCOC(=O)N1CCN(c2c(NCCCN(C)c3ccccc3)c(=O)c2=O)CC1,CID5308081,,,,,,,0.0,,,,,,,,,,
CCOC(=O)N1CCN(c2c(NCCCN(CC)c3cccc(C)c3)c(=O)c2=O)CC1,CID3239985,0.0,,,0.0,,,,0.0,0.0,,0.0,,,,,,
CC(=O)N1CCc2cc(C(=O)CN3CCN(c4ccccc4F)CC3)ccc21,CID5308080,,,,,,,,,,,,,0.0,,,,
CC(=O)N1CCc2cc(C(=O)CN3CCN(c4cccc(Cl)c4)CC3)ccc21,CID5309628,0.0,,,,,0.0,,,,0.0,,,,,,,
CC(C)(C)C1CCc2nc(NC(=O)Cc3cn4ccsc4n3)sc2C1,CID2997762,0.0,,,,0.0,,0.0,,0.0,0.0,,,0.0,,,,
O=C(Cc1cn2ccsc2n1)Nc1nc2c(s1)CCCC2,CID2999952,0.0,,0.0,,0.0,,0.0,,0.0,0.0,,,,,,,
Cc1cccc(NC(=O)CSc2ccc(-c3ccco3)nn2)c1C,CID7207117,,,,,,,,,,,,,,,0.0,,
CCc1ccc(NC(=O)CSc2ccc(-c3ccco3)nn2)cc1,CID6623955,,,,,,,,,,,,,,,0.0,,
Cc1ccc(S(=O)(=O)CCC(=O)Nc2nc3c(s2)CCCC3)cc1,CID2526222,,,,,,0.0,,,0.0,0.0,,,,0.0,0.0,,
O=C(CCS(=O)(=O)c1ccccc1)Nc1nc2c(s1)CCCC2,CID5310254,,,,0.0,,,,,,,,,,,,,0.0
Cc1ccc(SC(C)C(=O)Nc2ccncc2)cc1,CID2978000,,,,,,,,,,0.0,,,,,,,
O=C(CSc1ccccc1)Nc1ccncc1,CID808415,,,,,0.0,,0.0,0.0,,,,,,,,,0.0
Cc1c(NC(=O)CSc2nnnn2-c2ccc(O)cc2)c(=O)n(-c2ccccc2)n1C,CID1844148,,,,,,,,,,0.0,,,,,,,
Cc1ccc(-n2nnnc2SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1,CID1250062,0.0,0.0,,0.0,0.0,,,,,,0.0,,0.0,,0.0,0.0,
Cc1cccc(-n2ncc3c(N4CCCc5ccccc54)ncnc32)c1,CID9551139,,,,,,,,,,,,0.0,,,,,
COc1ccc(-n2ncc3c(N4CCCc5ccccc54)ncnc32)cc1,CID3242463,,0.0,,,,,,,,,,,,,,,
CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)C1c1ccoc1,CID644439,0.0,,0.0,0.0,0.0,,,,,,0.0,,0.0,,,0.0,
COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)C1c1ccoc1,CID652661,,,,0.0,0.0,0.0,,,,,,,,,,,0.0
COC(=O)c1ccc(C2/C(=C(/O)c3ccc(OC)cc3)C(=O)C(=O)N2CC2CCCO2)cc1,CID5389231,,,,,,,,0.0,,,,,,,,,
COc1ccc(/C(O)=C2\C(=O)C(=O)N(CC3CCCO3)C2c2cc(OC)ccc2OC)cc1,CID5389279,,,,,,,0.0,0.0,,,,,,,,,
O=[N+]([O-])c1ccc2nc(-c3ccccc3)n(OCc3ccc(Cl)cc3)c2c1,CID1477039,,,,,,0.0,,,,,,,,,,,
Clc1ccc(-c2nc3ccccc3n2OCc2ccccc2)cc1,CID3746303,,,,,,,,,,,,0.0,,,,,
Cc1cccc(C)c1OCc1nnc2c3cnn(C)c3ncn12,CID753570,,0.0,,,,,,0.0,,,,,,,,,
Cc1ccccc1OCc1nnc2c3cnn(C)c3ncn12,CID753569,,0.0,0.0,,,,,0.0,,,,,,,0.0,,
Cc1cccc(NC(=O)N2CCN(Cc3ccccc3)CC2)c1,CID851978,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1ccc(NC(=O)N2CCN(Cc3cccc(F)c3)CC2)cc1,CID2210882,,,,,,,0.0,,,0.0,0.0,,,,,,
Cc1onc(-c2ccccc2Cl)c1C(=O)OCN1C(=O)c2ccccc2C1=O,CID1320178,,,0.0,,,0.0,,,,,0.0,,,,,0.0,
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCN1C(=O)c2ccccc2C1=O,CID1315118,,,,,,0.0,0.0,,,,,,0.0,,,0.0,
Cc1csc(NC(=O)CCSCCc2ccccn2)n1,CID9550262,,,,,,0.0,,,,,0.0,,,,,,
O=C(CCSCCc1ccccn1)Nc1nccs1,CID5307910,0.0,,,,,0.0,,,,,,,,,,,
C=CCOc1c(Br)cc(CNn2nnnc2N)cc1OC,CID2219086,0.0,,,,,,,,0.0,,,,,,,0.0,0.0
C=CCOc1ccccc1CNn1nnnc1N,CID2214282,,0.0,,,,,,,,,,,,,,,
O=C(NCCCN1CCCCC1)c1ccc2c(=O)n(CCc3ccccc3)c(=O)[nH]c2c1,CID3237692,,,0.0,,,,,,0.0,,,,,,,0.0,
CC1CCCCN1CCCNC(=O)c1ccc2c(=O)n(CCc3ccccc3)c(=O)[nH]c2c1,CID9551461,,,,,,,,,0.0,,,,,,,,
CCn1c2ccccc2c2cc(NC(=O)CSc3nnc(-c4cccc(C)c4)o3)ccc21,CID1819942,,,,,,0.0,,,,,,,,,,,
CCn1c2ccccc2c2cc(NC(=O)CSc3nnc(-c4ccccc4)o3)ccc21,CID1819943,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1C,CID1616139,,,,,,0.0,,,,,,,,,,,
Cc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c(C)c1,CID1618514,,,,,,,,,,,,0.0,,,,,
O=C(NCCCN1CCOCC1)c1cccs1,CID2292963,,0.0,0.0,0.0,0.0,,0.0,0.0,0.0,,0.0,,,,,,
O=C(NCCCN1CCOCC1)c1ccc(Br)s1,CID2225398,0.0,,,,,,,,0.0,,,,,0.0,,0.0,0.0
CC1=CCC(C(=O)N/N=C/c2cccs2)C(c2ccc(F)cc2)C1,CID4521926,,,,,,0.0,,,,,,,,,,,
CC1=CCC(C(=O)O)(C(=O)N/N=C/c2cccs2)C(c2ccc([N+](=O)[O-])cc2)C1,CID4457907,,,,,,,,,,0.0,,,,,,,
CCCC1=C/C(=C2/NNC(C)=C2c2ccc(C(=O)OCC)o2)C(=O)C=C1O,CID5322190,,0.0,,,,,,0.0,,,0.0,,,,,,
CCCC1=C/C(=C2/NNC=C2c2ccc(C(=O)OCC)o2)C(=O)C=C1O,CID5428930,,,0.0,,,,0.0,,,,,,0.0,,,,
CC1Cc2ccccc2N1S(=O)(=O)c1cccc2nsnc12,CID2943305,0.0,0.0,0.0,0.0,,,0.0,,,,,,,,,,
O=S(=O)(c1cccc2nsnc12)N1CCc2ccccc21,CID2823191,0.0,0.0,,0.0,,,0.0,,0.0,0.0,,0.0,,,,,
CCN(CC)c1c2c(c(C#N)c3nc4ccccc4n13)CCC2,CID848899,,,,,,,,,,,,0.0,,,,,
CN(C)CCCNc1c2c(c(C#N)c3nc4ccccc4n13)CCC2,CID2999428,,,,0.0,,0.0,,,,,0.0,,,,,0.0,
COC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)Cc1ccc(OC)c(OC)c1,CID1012510,,,,,,,,,,,,,,0.0,,,
NC(=O)c1c(-c2ccc(Cl)cc2Cl)csc1NC(=O)Cc1ccccc1,CID1245647,,,,,,,,,,,,,,,0.0,,
O=c1c(O)c(-c2ccc3c(c2)OCO3)oc2ccccc12,CID624794,,,,,0.0,,0.0,0.0,,,,,,0.0,0.0,0.0,0.0
O=c1cc(-c2ccc3c(c2)OCO3)oc2ccccc12,CID265714,,,,,,,,,0.0,0.0,,,,0.0,,,
O=[N+]([O-])c1ccc(COc2cccc(CNc3ccc(Br)cc3)c2)cc1,CID2200281,,,,,,,,,,,,,,0.0,,,
Oc1ccc(NCc2cccc(OCc3ccccc3)c2)cc1,CID833984,,,,,,,,,,,,,,,0.0,,
CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2,CID2971775,,,0.0,,,,0.0,,0.0,0.0,,0.0,,,,0.0,0.0
O=C(CCc1c[nH]c2ccccc12)NCc1ccc2c(c1)OCO2,CID2521776,,,,,,0.0,,,,0.0,,0.0,,0.0,,,
O=C(CSc1nnc(-c2ccccn2)n1-c1ccccc1)Nc1ccc2c(c1)OCO2,CID2040080,,,0.0,,0.0,,,,,,0.0,,,,,,
O=C(CSc1nnc(-c2ccccn2)n1-c1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2,CID1943004,,,,,,,,,,,0.0,0.0,,,,,
Cc1noc(C)c1COc1ccc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc1,CID2105000,,,,,,,,,0.0,,,,,,,,
Cc1noc(C)c1COc1ccc(C(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)cc1,CID2477701,,,,,,,,,1.0,,,,,,,,
Cc1ccc(C(=O)CC2(O)C(=O)N(Cc3ccc4c(c3)OCO4)c3ccccc32)cc1,CID646082,,,0.0,,,,,0.0,,,,0.0,,,,0.0,
O=C(CC1(O)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21)c1ccccc1,CID649872,,0.0,,,,,,0.0,,0.0,,,,,,,
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cnn(-c4ccc(C)cc4)c3)C2=O)cc1,CID1326526,,,,,,,,,,,,,,,0.0,,
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cnn(-c4ccccc4)c3)C2=O)c1,CID2198843,,,,,,,,,,,,0.0,,,,,
CN(C)c1ccc(/C=C/C(=O)C2=C(O)N(C)C3(C)CC2c2ccccc2O3)cc1,CID5771267,,,,,,,,,,,0.0,,,,,,
COc1ccc(/C=C/C(=O)C2=C(O)NC3(C)CC2c2ccccc2O3)c(OC)c1OC,CID16188840,,,,,,,,,,,,,,0.0,,,
NC(=O)C1CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1,CID662407,,,,,,,,,,,,,,,,0.0,
CC1CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1,CID647852,,,,,,,,,,,,0.0,0.0,,,0.0,
Nc1nc2ccccc2n1/N=C/c1ccc(-c2ccccc2)o1,CID662401,,,,0.0,,0.0,,0.0,,,,,,,,,
Cc1cc2ncn(/N=C/c3ccc(-c4ccccc4)o3)c2cc1C,CID938022,,,,,,0.0,,,,,,,,,,,
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC(C(=O)NCC3CCCO3)C(C)C)CC2)cc1,CID662402,,,,,0.0,,,,0.0,,0.0,,,,,,
CSCCC(NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C(=O)NCC1CCCO1,CID662513,,,,,0.0,,,,,,0.0,,,,,0.0,
Cc1cc(C(=O)N/N=C/c2ccc(COc3ccc([N+](=O)[O-])cc3)o2)ccc1[N+](=O)[O-],CID1757527,,,,,,,,,,,,0.0,,,,,
O=C(N/N=C/c1ccc(COc2ccc([N+](=O)[O-])cc2)o1)c1ccccc1Cl,CID1008835,,,,,,0.0,,,,,,,,,,,
CC(C)(C)c1ccc(OCC(O)CSc2ncn[nH]2)cc1,CID2843367,,,,,,,,,,,,0.0,,0.0,,,
OC(COc1ccccc1)CSc1ncn[nH]1,CID2842739,,,,,,,,,,,,0.0,,,,,
COc1cc2c(cc1OC)C(C)N(C(=O)c1cc3ccccc3o1)CC2,CID2843365,,,,,,,,0.0,,,,,,,,,
CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)N3CCc4ccccc4C3)c(C)c2c1,CID4459737,,,,,,,,,,,,,,,0.0,,
Cc1ccc(CNC(=O)C2CC(=O)OC23CCCC3)c(C)c1,CID2955543,,0.0,,0.0,,,,,,,,0.0,0.0,,,0.0,0.0
O=C1CC(C(=O)NCc2ccccc2)C2(CCCC2)O1,CID561109,0.0,,,,,,,,,0.0,,,,,,0.0,0.0
CCn1c(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)nnc1-c1ccncc1,CID663952,0.0,,,,0.0,,,,,,0.0,,,,,,
Cn1c(SCC(=O)N2CCN(c3cccc(Cl)c3)CC2)nnc1-c1ccncc1,CID650244,,,,,0.0,,0.0,,,,0.0,,,,,,
Cn1c(-c2ccc(C=O)s2)nc2c3ccccc3c3ccccc3c21,CID875407,,,,,,,,,,,,0.0,,,,,
Cn1c(-c2cccs2)nc2c3ccccc3c3ccccc3c21,CID879984,,,,,,0.0,,,,,,,,,,,
Nc1c2c(=O)oc(-c3ccccc3)cc2nn1-c1ccccc1,CID902166,,,,,,,,,,,,0.0,,,,,
Cc1ccc(-c2cc3nn(-c4ccccc4)c(N)c3c(=O)o2)cc1,CID902164,,,,,,0.0,,,,,,0.0,,,,,
NC(=O)c1ccc(NC(=O)CCCc2nc(-c3ccccc3Cl)no2)cc1,CID666813,0.0,,0.0,,0.0,,,,,,,,,,,,0.0
Cc1cccc(-c2noc(CCCC(=O)Nc3ccc(C(N)=O)cc3)n2)c1,CID1853507,,,,,,,,,,,0.0,,,,,,
Cn1c(C(=O)NCCCN2CCCC2=O)cc2c(=O)n3ccccc3nc21,CID3238011,,,,0.0,,,,,,,,,,,,,
Cc1cccn2c(=O)c3cc(C(=O)NCCCN4CCCC4=O)n(C)c3nc12,CID3239936,,0.0,,,,,,,,,,,,,,,
Cc1ccc(CS(=O)(=O)CCC(=O)NCc2ccccn2)cc1,CID3238886,,,,0.0,,,,,,,,,,,,0.0,
Cc1ccccc1CS(=O)(=O)CCC(=O)NCc1ccccn1,CID3245586,,,,,,0.0,,,,,,,,,,0.0,
Cn1c(=O)c2cc(S(=O)(=O)Nc3cccc(F)c3)ccc2n(C)c1=O,CID3238884,,,,,,,,,,0.0,,,,,,0.0,
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)cc1F,CID3241621,,,,,,,,0.0,,,,0.0,,,,,
O=C1CCC(C(=O)OCc2cc(Cl)ccc2OC(F)F)N1,CID2997832,,,,,,,,,,0.0,,,,,,,
Cc1cc(C(C)(C)C)cc(C)c1COC(=O)C1CCC(=O)N1,CID2998411,,,,,,0.0,,,,,0.0,,,,,,0.0
COc1ccccc1NC(=O)CSc1nnc(C)n1CCc1ccccc1,CID646738,0.0,0.0,0.0,0.0,0.0,0.0,,0.0,,,,,,,,0.0,0.0
Cc1nnc(SCC(=O)Nc2ccccc2)n1CCc1ccccc1,CID653767,0.0,,,,0.0,0.0,0.0,,,0.0,,,,,,,0.0
CCc1nnc(NC(=O)CSc2nnc(CCc3nc4ccccc4[nH]3)n2C)s1,CID646732,,,,0.0,0.0,,,,,,,0.0,,,,,0.0
Cc1nnc(NC(=O)CSc2nnc(CCc3nc4ccccc4[nH]3)n2C)s1,CID644520,,0.0,,,0.0,,,,,,,,0.0,,,0.0,0.0
CC1Cc2ccccc2N1C(=O)c1ccnc(C(C)(C)C)c1,CID2957949,0.0,,0.0,,,,,,,,,,0.0,0.0,,0.0,
CC(C)(C)c1cc(C(=O)N2CCc3ccccc32)ccn1,CID663922,0.0,,,,0.0,0.0,,,,,,,0.0,0.0,,0.0,
COc1ccc(N(Cc2cc(=O)[nH]c3ccccc23)C(=O)c2ccco2)cc1,CID647621,0.0,,0.0,,,,,,0.0,0.0,,,,0.0,,,0.0
Cc1ccc(N(Cc2cc(=O)[nH]c3ccccc23)C(=O)c2ccco2)cc1,CID648038,0.0,,,,,,0.0,0.0,0.0,,,0.0,,0.0,,,0.0
CC(C)c1cc(C(=O)N/N=C/c2cccnc2)cs1,CID843198,,,,,,,,,,,,,,,0.0,,
Cc1cc(C(=O)N/N=C/c2cccnc2)cs1,CID843180,,,,,,,,,,,,,,,0.0,,
Cc1ccc(/C=N/NC(=O)c2csc(C)c2)o1,CID843196,,,,,,,,,,,,,,,0.0,,
C/C(=N\NC(=O)c1csc(C)c1C)c1ccco1,CID842540,,,,,,,,,,,,0.0,,,,,
COc1ccc(-c2cc(C(=O)c3c(N)n(C)c(=O)n(C)c3=O)c3ccccc3n2)cc1OC,CID2359062,,,,,,,,,,,,,,0.0,,,
Cn1c(N)c(C(=O)c2cc(-c3ccccc3)nc3ccccc23)c(=O)n(C)c1=O,CID2524918,,,,,,,,,,,,0.0,,,,,
Cc1nonc1NC(=O)CSc1ccc(-c2ccccc2)nn1,CID644772,,0.0,0.0,0.0,0.0,,,,,,0.0,,,,0.0,0.0,
Cc1ccc(-c2ccc(SCC(=O)Nc3nonc3C)nn2)cc1,CID651972,,0.0,0.0,,0.0,,0.0,,,,,,,,,0.0,
CC1(C)Cc2ccccc2-c2nnc(SCC(=O)N3CCc4ccccc43)n21,CID644775,0.0,0.0,,,,,,,,,,,0.0,,,,
CC1Cc2ccccc2N1C(=O)CSc1nnc2n1C(C)(C)Cc1ccccc1-2,CID648957,0.0,,,,,,,,,,,,0.0,0.0,,0.0,
CCCc1cc(=O)nc(N/C(=N\C(=O)c2ccccc2)Nc2ccc3c(c2)OCCO3)[nH]1,CID2950218,,,0.0,0.0,,,,,0.0,,,,,,,0.0,
Cc1cc(=O)nc(N/C(=N\C(=O)c2ccccc2)Nc2ccc3c(c2)OCCO3)[nH]1,CID1996299,0.0,0.0,,0.0,,,,0.0,,,,,,,,0.0,0.0
O=C(Nc1ccc(F)cc1F)N1CCCCC1c1cccnc1,CID2893801,0.0,0.0,,,0.0,,,,,,,,,,,,0.0
O=C(Nc1ccccc1)N1CCCCC1c1cccnc1,CID2893964,0.0,0.0,,0.0,,,0.0,0.0,,,0.0,,,,,0.0,0.0
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1,CID2998437,0.0,,,0.0,,,,,0.0,0.0,,0.0,0.0,,,,
O=C(CCS(=O)(=O)c1ccccc1)Nc1ccc(N2CCOCC2)cc1,CID2460107,,,,,,,,,,,,,,0.0,,,
COc1ccc(CC2(CO)CCN(Cc3cnc(-c4ccccc4C)nc3)CC2)cc1,CID16192052,,,,,,,,,,,,,,,0.0,,
OCC1(Cc2ccccc2)CCN(Cc2cnc(-c3ccc(Cl)cc3)nc2)CC1,CID16192404,,,,,,,,,,,,,,,0.0,,
CC1CCCN(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)C1,CID2867623,,,,,,0.0,,,,,,,,,,,
O=C(c1sc2cc([N+](=O)[O-])ccc2c1Cl)N1CCCCC1,CID2053883,,,,,,,,,,,,,,0.0,,,
O=C(NCCCN1CCOCC1)c1sc2ccccc2c1Cl,CID3142178,,,,,,,,,,,,,,,0.0,,
O=C(NCCCN1CCOCC1)c1sc2cc(Cl)ccc2c1Cl,CID2360080,,,,,,,,,,,,,,,0.0,,
Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)C2=O)cc1,CID2286360,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)C2=O)cc1,CID2172420,,,,,,,,,,,,,,,0.0,,
Cc1ccsc1/C=N/NC(=O)c1ccncc1,CID772127,,,,,,,,,,,,,,,0.0,,
O=C(N/N=C/c1ccc(Br)s1)c1ccncc1,CID772115,,,,,,,,,,,,,,0.0,,,
CCN1C(=O)/C(=N\NC2=NC(=O)CS2)c2cc(C)ccc21,CID5516377,,,,,,0.0,,,,,,0.0,,,,,
CCc1ccc2c(c1)/C(=N/NC1=NC(=O)CS1)C(=O)N2C,CID5910325,,,,,,0.0,,,,,,,,,0.0,,
O=C(COc1ccc2c(c1)CCC2)NCc1ccc(Cl)cc1,CID2439701,,,,,,,,,,,,,,0.0,,,
Cc1ccc(CNC(=O)COc2ccc3c(c2)CCC3)cc1,CID2611408,,,,,,,,,,,,,,,0.0,,
O=C1C(=O)N(CCN2CCOCC2)C(c2ccccn2)/C1=C(/O)c1ccccc1,CID5389378,,,0.0,,,0.0,,,,,,,,,,,
Cc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)C2c2ccccn2)cc1,CID5771733,,,,,,,,,,0.0,,,,,,,
CN1CCN(Cc2c(O)c(Cl)cc3c(-c4ccccc4)cc(=O)oc23)CC1,CID5389374,,,,,,,,0.0,,0.0,,,,,,,
CN1CCN(Cc2c(O)ccc3c(-c4ccccc4)cc(=O)oc23)CC1,CID5389371,,,,,,,,,,0.0,,,,0.0,,,
Cc1c(C(=O)NCc2cccnc2)sc2nc(-c3ccccc3)cn12,CID5310093,,,0.0,,,,0.0,,,,,,,,,,
Cc1c(C(=O)NCc2cccnc2)sc2nc(-c3ccc(F)cc3)cn12,CID5309991,,,,,,,0.0,,,,,,0.0,,,,
COc1ccc(-c2csc(-c3cccs3)n2)cc1OC,CID2507089,,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2csc(-c3cccs3)n2)c(OC)c1,CID2468633,,,,,,,,,,,,,,0.0,,,
CCCn1cnc2cc(NC(=O)c3cccs3)ccc21,CID828719,,,,,,,,,,,,,,,0.0,,
CC(C)(C)n1cnc2cc(NC(=O)c3cccs3)ccc21,CID828721,,,,,,,,,,,,,,,0.0,,
Cc1cc2ncn(S(=O)(=O)N3CCOCC3)c2cc1C,CID973788,,,,0.0,,,,,,,,,,,,,
O=S(=O)(N1CCOCC1)n1cnc2ccccc21,CID2929944,,,,,,,,,,,,0.0,,,,,
Cc1ccc(NC(=O)c2c(Cl)n(C)c3ccccc23)cc1,CID1477203,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC(=O)c2c(Cl)n(C)c3ccccc23)cc1,CID1477196,,,,,,0.0,,,,,,,,,,,
CCOC(=O)N1CCN(C(=O)c2ccc3nc4ccc(Cl)cc4c(=O)n3c2)CC1,CID3236313,,,,,,,0.0,,,,,,,,,,
CCOC(=O)N1CCN(C(=O)c2ccc3nc4cc(Cl)ccc4c(=O)n3c2)CC1,CID3240366,,0.0,0.0,,,,,,,,,,,,,,
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3)CC2)cc1,CID1151697,,,,0.0,,,,0.0,,,,,0.0,,,,0.0
Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3)CC2)cc1,CID1148036,,,,,,,,,,0.0,,,,0.0,,,
Cn1cc(Cl)c(C(=O)NC2CCCC2)n1,CID891856,0.0,,0.0,,,,,,,0.0,,,0.0,,,0.0,0.0
Cc1c(Cl)c(C(=O)NC2CCCC2)nn1C,CID832003,,,,,,,,,,0.0,,,,,,,
N#CC(C(=O)O)=C1CCCC1,CID660952,,,,,,,,0.0,,,,,,,,,
O=C(O)CC1CCC(=C(Cl)Cl)C1,CID649064,,,,,,,,,,,,,,,,,0.0
COc1cccc(OC)c1C(=O)N1CCN(c2c(Cc3ccccc3)c(C)nc3ncnn23)CC1,CID655305,0.0,,,,,,0.0,,,0.0,,,,,0.0,,
Cc1nc2ncnn2c(N2CCN(C(=O)c3cccc(F)c3)CC2)c1Cc1ccccc1,CID650570,,,,0.0,,,,,,,,,0.0,,,,
CCCNC1=C(C)C(=O)CC1,CID579876,,,,,,0.0,0.0,,,,,0.0,,,,,
CC(=O)C1=C(N)CCC1=O,CID665382,,,,0.0,0.0,,0.0,0.0,,,,,,,,,
CCSc1nnc(-c2cc3c(s2)-c2ccccc2CC3)o1,CID3322419,,,,,,,,,,,,,,0.0,,,
CSc1nnc(-c2cc3c(s2)-c2ccccc2CC3)o1,CID4351721,,,,,,,,,,,,0.0,,,,,
O=C(CSc1ccc(Cl)cc1)Nc1cccc(-c2nc3ncccc3o2)c1,CID2294491,,,,,,,,,,,,0.0,,,,,
Cc1c(NC(=O)CSc2ccc(Cl)cc2)cccc1-c1nc2ncccc2o1,CID1951394,,,,,,0.0,,,,,,,,,,,
COc1ccc(C2(c3ccc(O)cc3O)CC(c3ccccc3Cl)NC(=S)N2)cc1,CID3989113,,,,,,,,,,,,,,0.0,,,
COc1ccc(C2(c3ccc(OC(C)=O)cc3OC(C)=O)CC(c3ccccc3)NC(=S)N2)cc1,CID3900484,,,,,,,,,,,,,,,0.0,,
Cc1ccc(-c2ccnc(=S)[nH]2)cc1,CID1490196,,,,,,,,,,,,,,,0.0,,
Fc1ccc(-c2ccnc(=S)[nH]2)cc1,CID1474642,,,,,,,,,,,,,,0.0,,,
COc1ccccc1COC(=O)N/C=C/c1ccco1,CID1471311,,,,,,,,,,,,,,,0.0,,
COc1ccc(COC(=O)N/C=C/c2ccco2)cc1,CID1471292,,,,,,,,,,,,,,,0.0,,
CC(OC(=O)Cn1c(C(F)(F)F)nc2ccccc21)C(=O)N1CCCc2ccccc21,CID4964037,,,,,,,,,,,,0.0,,,,,
O=C(Cn1cnc2ccccc21)OCC(=O)N1CCCc2ccccc21,CID2408679,,,,,0.0,,,0.0,0.0,,,,0.0,,,,
O=C(NC1CCCCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1,CID800187,,,,,,,,,,0.0,,,,,,,
CN(C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCCCC1,CID2330678,,,,,,,,,,0.0,0.0,,,,,,
Cc1ccc(Cn2nnnc2CN2CCC(n3nnc4cc(C)ccc43)CC2)cc1,CID646842,,,,,0.0,,,,,0.0,0.0,,0.0,,,,
Cc1ccc(Cn2nnnc2CN2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)cc1,CID652795,,,,,,,,,,,,0.0,,,,,
CC(=O)c1cccc(NC(=O)N2C3CCC2CC(O)(c2cccnc2)C3)c1,CID646843,,,,,,,0.0,,,0.0,0.0,,,,,0.0,
Cc1ccccc1NC(=O)N1C2CCC1CC(O)(c1cccnc1)C2,CID3230874,,,,,,,,,,0.0,0.0,,,,,,
CCNC(=O)NC1(C(=O)Nc2ccc3c(c2)CCC3)CCCCC1,CID646845,0.0,,,,,,,,0.0,,0.0,0.0,,,,,0.0
O=C(O)C1CCCCC1C(=O)Nc1ccc2c(c1)CCC2,CID2967603,,,,,,,0.0,,,0.0,,,,,,,
COc1ccccc1-n1cnnc1SCc1csc(-c2ccccc2)n1,CID2107694,,,,,,,,,,,,,,0.0,,,
COc1ccc(-n2cnnc2SCc2csc(-c3ccccc3)n2)cc1,CID2082525,0.0,,0.0,,0.0,,,,0.0,0.0,0.0,,,,,0.0,
COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CN1CCOCC1,CID663474,,,,,0.0,,0.0,,,,,,0.0,,,,
COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CN1CCOCC1,CID664620,,,0.0,0.0,0.0,,,,,,0.0,,,,,,
Cc1ccc(-c2nc(=S)c3c(n2CCN2CCOCC2)CC(C)(C)OC3)cc1,CID1891584,,0.0,,0.0,,,,,,,,,,,,,0.0
COc1ccc(-c2nc(=S)c3c(n2CCN2CCOCC2)CC(C)(C)OC3)cc1,CID1251127,,,,0.0,,,,0.0,,,,,,,,,
CC(=O)c1ccc(NC(=O)c2ccccc2Sc2ncnc3sc(C)c(C)c23)cc1,CID2527109,,,,,,,,,,,,,,0.0,0.0,,
Cc1sc2ncnc(Sc3ccccc3C(=O)Nc3ccccc3Cl)c2c1C,CID2090861,,,,,,,,,,,,,,,0.0,,
Cc1noc(C)c1S(=O)(=O)Nc1ccc(C(=O)NC2CCCCC2C)cc1,CID3238585,,,,0.0,,,,0.0,,,,,0.0,,,,0.0
Cc1noc(C)c1S(=O)(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1,CID3238595,,,0.0,0.0,,0.0,,0.0,,,,,,,,,
COc1ccccc1C(=O)NC(C)C(c1cccs1)N1CCOCC1,CID3238588,,,0.0,,0.0,,,,,,0.0,,,,,,
COc1cccc(C(=O)NC(C)C(c2cccs2)N2CCOCC2)c1,CID6710488,,,,,,,,,,0.0,,,,,,,
O=C(O)CCC(=O)NCCn1c(-c2ccccc2)cs/c1=N\c1ccccc1,CID2131669,0.0,,0.0,0.0,0.0,,,,,,,,,,,0.0,0.0
COc1ccc(-c2cs/c(=N\c3ccccc3)n2CCO)cc1,CID701126,,0.0,,,0.0,,,,,,,,0.0,,,,
NC(=O)C(CCC(=O)c1ccc(Br)cc1)S(=O)(=O)c1ccccc1,CID2766967,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)C(CCC(=O)c2ccc(Cl)cc2)C(N)=O)cc1,CID2765095,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)/N=C(\CCl)N2CCOCC2)cc1,CID595083,,,,,,,,,,,,,,0.0,,,
O=S(=O)(/N=C/N1CCOCC1)c1ccc(Cl)cc1,CID658833,0.0,,,,,,,,,,,,,0.0,,,
Cc1ccccc1CSCC(=O)c1c(N)n(C)c(=O)n(C)c1=O,CID2498753,,0.0,,,0.0,,0.0,,0.0,,,0.0,,,,0.0,
Cc1ccccc1CSCC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O,CID2498644,,,,,,,,,0.0,,,,,0.0,,,
CCN(CCCNC(=O)CCc1nc(-c2ccc(C)cc2)no1)c1cccc(C)c1,CID3235650,,,0.0,,,,,,,,0.0,0.0,0.0,,,,
CCN(CCCNC(=O)CCc1nc(-c2ccc(OC)cc2)no1)c1cccc(C)c1,CID3240436,,,,,0.0,,,,,,,0.0,,,,,
CC1CCN(C(=O)CN2C(=O)C(C)(C)Oc3ccc(C(=O)NC4CCCC4)cc32)CC1,CID653400,0.0,,0.0,,0.0,,,0.0,0.0,,,,,,,,
CC1CCCC(C)N1C(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)NC3CCCC3)cc21,CID655195,,,0.0,,0.0,,0.0,0.0,,,,0.0,,,,,
COc1ccc(NS(=O)(=O)c2ccc(N/N=C(\C)c3ccncc3)c([N+](=O)[O-])c2)cc1,CID5171395,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NS(=O)(=O)c2ccc(N/N=C/c3ccncc3)c([N+](=O)[O-])c2)c(C)c1,CID5216896,,,,,,,,,,,,,,,0.0,,
COc1ccccc1OC(=O)c1cc(Cl)nc2ccccc12,CID902687,,,,,,,,,,,,,,0.0,,,
O=Cc1ccc(OC(=O)c2cc(Cl)nc3ccccc23)cc1,CID935720,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC(=O)C2OCCc3ccccc32)cc1C,CID2967781,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(NC(=O)C2OCCc3ccccc32)c(OC)c1,CID2966718,,,,,,,0.0,,,,,,0.0,,,,0.0
COc1ccc(C2C3=C(CC(C)(C)CC3=O)Oc3ncn4nc(-c5cccnc5)nc4c32)cc1,CID663477,0.0,,0.0,,,,,,,,0.0,,,,,,
COc1ccc(C2C3=C(CC(C)(C)CC3=O)Oc3ncn4nc(-c5cccnc5)nc4c32)cc1OC,CID664589,,,,,,,,,,,0.0,,,,,,
Cn1c(=O)c2c(nc(SCC(=O)NCc3ccc4c(c3)OCO4)n2Cc2ccccc2)n(C)c1=O,CID656070,,,0.0,,,,,,,,,,,,,0.0,
Cn1c(=O)c2c(nc(SCC(=O)NCc3ccc4c(c3)OCO4)n2Cc2ccc(Cl)cc2)n(C)c1=O,CID1083121,,,,,,,,,,,,0.0,,,,,
Cc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3c(C)nn(C)c3C)CC2)cc1,CID5307103,,,0.0,,,,,,,,0.0,,,,,,
Cc1cccc(CCNC(=O)C2CCN(S(=O)(=O)c3c(C)nn(C)c3C)CC2)c1,CID3238469,,,0.0,,,0.0,,0.0,,,0.0,,,,,,0.0
CCOc1ccccc1C1NC(=O)NC(C)=C1C(=O)OCc1ccco1,CID2854551,,,,,,,,0.0,,,,,,,,,
CCCCOc1ccccc1C1NC(=O)NC(C)=C1C(=O)OCc1ccco1,CID2854462,,,0.0,0.0,,,,,,,,0.0,,,,,
Cn1c(NCCc2ccccc2)cc(=O)n(C)c1=O,CID777231,,,,0.0,,0.0,0.0,0.0,,,,,0.0,0.0,,,
Cn1c(=O)cc(NCCc2ccccc2)[nH]c1=O,CID385872,,,,0.0,,,0.0,,,,,,,0.0,0.0,,
COc1ccccc1N1CCN(Cc2nc(=O)c3sccc3[nH]2)CC1,CID2524825,,,,,,,,,,,,,,0.0,,,
O=c1nc(CN2CCN(c3ccccc3Cl)CC2)[nH]c2ccsc12,CID2608328,0.0,,0.0,0.0,0.0,,,,,,,0.0,,,,,0.0
CC1CCC(NC(=O)C2CCN(c3cnccn3)CC2)CC1,CID656353,,0.0,0.0,0.0,,,,,0.0,,,,0.0,,0.0,,
O=C(NC1CCCCC1)C1CCN(c2cnccn2)CC1,CID655805,,,0.0,,,0.0,0.0,,,,,,,,,,
COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)on3)C2=O)cc1OC,CID1554642,,,,,,,,,,,,,,0.0,,,
Cc1cc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3)C2=O)no1,CID1567476,,,,,,,,,,,,,,0.0,,,
Cn1c(=O)c2c(nc(SCC(=O)N3CCc4ccccc43)n2Cc2ccccc2)n(C)c1=O,CID656356,0.0,,0.0,,,,,0.0,,,0.0,,,,,0.0,
CC1Cc2ccccc2N1C(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1,CID652524,0.0,,,,,,,0.0,,,,,,,,0.0,
CCCOc1ccc(C2C(C#N)=C(N)Oc3nc[nH]c(=O)c32)cc1OC,CID656354,,,0.0,0.0,,,,,0.0,,,,,,0.0,,
CCOc1ccc(C2C(C#N)=C(N)Oc3nc[nH]c(=O)c32)cc1OC,CID656373,,0.0,0.0,,,,,0.0,,,0.0,,,,,0.0,
COc1cccc(N2CCN(Cc3coc4c(Cl)cc(Cl)cc4c3=O)CC2)c1,CID1375730,0.0,,,,,,,,,,,,,,,,
Cc1ccc2occ(CN3CCN(c4ccccc4)CC3)c(=O)c2c1,CID782701,0.0,,,,,,,,,,,,,,,,
C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1,CID1792579,,,,,,,,,,,,0.0,,,,,
CC(C)NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1,CID1252842,,,,,,,,,,,,,,0.0,0.0,,
CC1=C(C(=O)Nc2ccccc2C)C(c2ccc(C)o2)N2C(=O)CSC2=N1,CID2939982,0.0,0.0,0.0,0.0,0.0,,,0.0,,0.0,,,,,,,0.0
CC1=C(C(=O)Nc2ccccc2)C(c2ccc(C)o2)N2C(=O)CSC2=N1,CID2879414,0.0,0.0,,,0.0,,,,,,,,0.0,,,,
O=C(CSc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccccc1)NCC1CCCO1,CID3244126,,,,,,,,,,,0.0,,0.0,,0.0,,
Cc1ccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(SCC(=O)NCC3CCCO3)o2)cc1,CID3236816,,,,,,,,,,,0.0,,,,,,
Cc1cccc(N2C(=O)/C(=C/Nc3ccc(O)cc3)c3ccccc3C2=O)n1,CID6356746,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(N/C=C2/C(=O)N(c3cccc(C)n3)C(=O)c3ccccc32)cc1,CID5782070,,,,,,0.0,,,,,,,,0.0,,,
CCOC(=O)CSc1cn2c(n1)CCC2,CID765799,,,,,0.0,,,,,,,,,,,,
CCOC(=O)c1c(NC(N)=O)nc2n1CCC2,CID5303299,,,,,,,,,,,,,,0.0,,,
Cn1c(N/N=C/c2cccc(O)c2)cc(=O)n(C)c1=O,CID12004447,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(/C=N/Nc2cc(=O)n(C)c(=O)n2C)cc1,CID4312744,,,,,,,,,,,,,,0.0,,,
Cc1cc(-c2n[nH]c(=S)n2/N=C/c2ccccc2[N+](=O)[O-])n[nH]1,CID4586080,,,,,,,,,,,,,,0.0,,,
Cc1cc(-c2n[nH]c(=S)n2/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)n[nH]1,CID3594061,,,,,,,,,,,,,,0.0,,,
CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc3c(c2)OCO3)C1c1ccccn1,CID5739326,,0.0,,,,,,0.0,,,,,0.0,,,,
CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc3c(c2)OCO3)C1c1ccccn1,CID5739176,,,,,,,,0.0,,,0.0,,,,,,
O=C(CSc1nnc2c3ccccc3c3ccccc3c2n1)Nc1ccccc1,CID6401820,,,,,,0.0,,,,,,,,,,,
O=C(CSc1nnc2c3ccccc3c3ccccc3c2n1)Nc1ccccc1F,CID6402388,,,,,,0.0,,,,,,0.0,,,,,
Cc1ccsc1C1C2=C(CCCC2=O)N=C2N=CNN21,CID5711655,,,,,,,,0.0,,,,,,0.0,,,
Cc1ccsc1C1C2=C(CC(C)(C)CC2=O)N=C2N=CNN21,CID5307673,,,,,,,,0.0,,0.0,,,,,,0.0,
CN1CCN(C2OC(=O)c3ccccc32)CC1,CID3591959,,,,,,,,,,,,0.0,,0.0,,,
CCOC(=O)N1CCN(C2OC(=O)c3ccccc32)CC1,CID663188,,,,,,,0.0,,,,,,,,,,
COc1ccc2c(c1)CCc1c(C(=O)NCCc3ccc(OC)c(OC)c3)noc1-2,CID3240737,,,0.0,0.0,,,,0.0,0.0,0.0,,,,,,,
O=C(NCCc1ccccc1)c1noc2c1CCc1ccccc1-2,CID3240663,0.0,,,,0.0,,0.0,,,,,0.0,,,,,
O=C(O)c1ccc2c(c1)NC(=O)C(N1CCCC1)S2,CID3240735,,,,,,0.0,,,,0.0,,,,,,0.0,
COC(=O)c1ccc2c(c1)NC(=O)C(N1CCCC1)S2,CID3242193,,,,,0.0,0.0,,0.0,,,,,,,,,
CS(=O)(=O)N(CC(=O)NC1CC1)c1cccc(F)c1,CID718932,,0.0,0.0,,,,,0.0,,,,0.0,0.0,,,,
Cc1cc(N(CC(=O)NC2CC2)S(C)(=O)=O)ccc1Br,CID1253057,,,,,,,,,,,,,,0.0,,,
CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCCCN3CCC(C)CC3)c21,CID3240738,0.0,,,,,,,,0.0,,,,,,,,
CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCCCN3CCCC(C)C3)c21,CID3243335,,,,,,,,,0.0,,,,,,,0.0,0.0
N#CCSc1n[nH]c2nc3c(c(=O)n12)C1(CCCC1)Cc1ccccc1-3,CID664125,,0.0,,,,,,,,,,,,,,,
CCSc1n[nH]c2nc3c(c(=O)n12)C1(CCCC1)Cc1ccccc1-3,CID1399699,,,,,,0.0,,,,,,,,,,,
Cc1cccc2cc(COC(=O)C3CCCCC3)c(=O)[nH]c12,CID664889,,,,0.0,0.0,0.0,0.0,,,,0.0,,0.0,,,,0.0
O=C(OCc1cc2ccccc2[nH]c1=O)C1CCCCC1,CID664971,,,,,0.0,0.0,,0.0,0.0,,0.0,,,0.0,,0.0,
O=C(NCc1ccco1)c1cccc(NC(=O)c2ccccc2)c1,CID2162626,0.0,,,0.0,,,,0.0,0.0,,,,,,,,
Cc1ccc(C(=O)Nc2cccc(C(=O)NCc3ccco3)c2)cc1,CID2221556,,,0.0,,,,,,0.0,,,0.0,0.0,,,,
Cc1occc1C(=O)NNC(=O)c1ccc(F)cc1,CID772287,,,,,,0.0,,,,,,,,,,,
Cc1occc1C(=O)NNC(=O)c1ccccc1Br,CID730167,,,,,,,,,,,,,,0.0,,,
C/C(=N\n1c(C)cc(C)c(C#N)c1=O)c1cccs1,CID698544,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)n(/N=C/c2cccs2)c(=O)c1C#N,CID717789,,,,,,,,,,,,,,,0.0,,
Oc1ccc(-c2nc3ccccn3c2NCc2ccco2)cc1,CID858019,,,,,,0.0,,,,,,,,,,,
COc1ccc(-c2nc3cccc(C)n3c2NCc2ccco2)cc1OC,CID647695,0.0,,,0.0,,,,,0.0,,,,,,,,0.0
Cc1nnc(NC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)s1,CID2570893,0.0,0.0,,,0.0,,,0.0,0.0,,0.0,,,,,,0.0
CCc1nnc(NC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)s1,CID2621083,0.0,,0.0,,0.0,,,,0.0,,,,,0.0,,0.0,0.0
N#Cc1c(N)nc(SCC(=O)NCCc2ccccc2)c(C#N)c1-c1cccs1,CID660699,,0.0,0.0,0.0,0.0,0.0,0.0,,0.0,,,0.0,,,,,
COc1ccc(CCNC(=O)CSc2nc(N)c(C#N)c(-c3cccs3)c2C#N)cc1OC,CID660269,,,,,,,,,,0.0,,0.0,,,,0.0,0.0
CC1CN(C2CCN(C(=O)c3ccccc3Cl)CC2)CC(C)O1,CID660698,0.0,,0.0,0.0,,,,,,,,,,,,,0.0
CC1CN(C2CCN(C(=O)c3cccc(Cl)c3)CC2)CC(C)O1,CID3700490,,,,,,,,,,,,0.0,,,,,
O=C(Cc1ccccc1)NNC(=O)c1cnccn1,CID947080,,,,,,,,,,,,,,0.0,0.0,,
CCC(C(=O)NNC(=O)c1cnccn1)c1ccccc1,CID12005235,,,,,,,,,,,,,,,0.0,,
C=CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccncc1,CID662695,,,,,0.0,,,,,,,,0.0,,,,
CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccncc1,CID2963324,,,0.0,,0.0,,,,,,,,0.0,,,,
NC(=O)Nc1ccc(C(=O)OCC(=O)NC2CCCCC2)cc1,CID2552230,,,,,,,,,,,,,,,0.0,,
CN(C)c1ccc(C(=O)OCC(=O)NC2CCCCC2)cc1,CID2434232,,,0.0,,0.0,,,,0.0,,,,,,,,0.0
Cc1ccc(S(=O)(=O)NC(C(=O)OCn2nnc3ccccc3c2=O)C(C)C)cc1,CID2552237,,,,,,,,,0.0,,,,,0.0,,,
CC(C)C(NS(=O)(=O)c1ccccc1)C(=O)OCn1nnc2ccccc2c1=O,CID2498255,,,,,,,,,0.0,,0.0,,,,,,
O=[N+]([O-])c1cccc(/C=N/n2c(-c3cccnc3)n[nH]c2=S)c1,CID892666,,,,,,,,,,,,,,,0.0,,
O=[N+]([O-])c1ccccc1/C=N/n1c(-c2cccnc2)n[nH]c1=S,CID895742,,,,,,,,,,,,,,,0.0,,
C/C(=N\N1C(=O)c2ccccc2C1=O)c1cccc([N+](=O)[O-])c1,CID707906,,,,,,,,,,,,,,0.0,,,
COc1ccc(/C=N/N2C(=O)c3ccccc3C2=O)cc1,CID331047,,,,,,,,,,,,,,0.0,0.0,,
Cc1noc(C)c1COC(=O)/C=C/c1ccccc1Cl,CID2116662,,,,,,,,,,,,,,0.0,,,
Cc1noc(C)c1COC(=O)/C=C/c1ccc(Cl)cc1,CID2409896,,,,,,,,,,,,,,0.0,,,
COCCOC(=O)c1c(C)nc(SCC(=O)Nc2ccc(C)cc2)c(C#N)c1-c1ccco1,CID661529,,,,,0.0,,,,0.0,0.0,,,,,,,0.0
COCCOC(=O)c1c(C)nc(SCC(=O)Nc2ccc(OC)cc2)c(C#N)c1-c1ccco1,CID661563,,0.0,,,0.0,,,0.0,0.0,0.0,,,0.0,,0.0,,0.0
Cc1c(NC(=O)CN2C(=O)c3ccccc3C2=O)c(=O)n(-c2ccccc2)n1C,CID1124477,0.0,,,,,,0.0,,,0.0,,0.0,0.0,,,,
Cc1c(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)c(=O)n(-c2ccccc2)n1C,CID54710,0.0,,,0.0,,,0.0,,0.0,,0.0,,0.0,,,,
CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CCN1CCSCC1,CID660420,,,,,,,,,,0.0,,,,,,,
COC(=O)c1[nH]c2ccccc2c1NC(=O)CCN1CCSCC1,CID658977,,0.0,,0.0,0.0,0.0,0.0,0.0,,,,,,0.0,,0.0,
CCOC(=O)c1c2ccc(OCC(=O)N/N=C/c3ccc(C)cc3)cc2n2ccccc12,CID1484858,,,,,,0.0,,,,,,0.0,,,,,
CCOC(=O)c1c2ccc(OCC(=O)N/N=C/c3ccc(Cl)cc3)cc2n2ccccc12,CID1484860,,,,,,0.0,,,,,,,,,,,
Cc1ccccc1NC1=C(Cl)C(=O)OC1OC(=O)c1ccco1,CID9550606,,,,,,0.0,,,,,,,,,,,
COc1cccc(NC2=C(Cl)C(=O)OC2OC(=O)c2ccco2)c1,CID4177539,,,,,,,,,,,,,,0.0,,,
COc1cc(C(=O)NCC2(N3CCOCC3)CCCCC2)cc(Cl)c1OC(C)C,CID4878254,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)NCC2(N3CCOCC3)CCCCC2)cc1OC,CID2449844,,,,,,,,,,,,,,,0.0,,
O=S(=O)(NC1CCCCC1NCc1ccco1)c1ccccc1,CID2911708,,,,,0.0,,,,,,,,,,,,
O=S(=O)(NC1CCCCC1NCc1ccco1)c1ccc(Cl)cc1,CID2913330,0.0,,0.0,0.0,,,,,,,,,0.0,,,,
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)NC3CCCC3)n2N)c1,CID2407630,,,,,,,,,0.0,,,,,0.0,,,
Nn1c(SCC(=O)NC2CCCC2)nnc1-c1ccccc1F,CID2558922,,,,,,0.0,,,,0.0,,0.0,,,,,
COc1ccc(-c2n[nH]c(C)c2-c2cc(OC)ccc2O)cc1,CID867312,,,,,,,,,,,,0.0,,,,,
COc1ccc(O)c(-c2c(-c3ccc(Cl)cc3)n[nH]c2C)c1,CID658247,0.0,0.0,0.0,0.0,,0.0,0.0,,,,,,,,,0.0,0.0
COC(=O)C1C2C=CC3(CN(CC4CCCO4)C(=O)C13)O2,CID651532,,,,,,,,,,,,,,,,,0.0
CC(C)OC(=O)C1C2C=CC3(CN(CC4CCCO4)C(=O)C13)O2,CID645004,,,,,,,,,,,,,,,,,0.0
O=C(Cc1cccs1)Nc1nnc(-c2ccncc2)s1,CID1245524,0.0,1.0,0.0,1.0,0.0,,0.0,,0.0,,,,,0.0,,,
COCCN(C(=O)Cc1cccs1)c1nnc(-c2ccncc2)s1,CID646286,0.0,0.0,0.0,0.0,0.0,,0.0,,0.0,0.0,,,,,,,0.0
CC(=O)/C=C1\Nc2ccccc2OC1=O,CID5614610,,,,,,0.0,,,,,,,,,,,
Cc1ccc2c(c1)N/C(=C\C(=O)C(C)(C)C)C(=O)O2,CID6879271,,,,,,,,,,,,,,0.0,0.0,,
CCCCCCN1C=CC(=C/C=C(\C#N)C(=O)OCC)C=C1,CID1911050,,,,,,0.0,,,,,,,,,,,
CCOC(=O)/C(C#N)=C\C=C1C=CN(C)C=C1,CID1549319,,,,,,,,,,,0.0,,,,,,
CC(C)Cn1nnc2c(=O)oc3ccccc3c21,CID797423,,,,,,,,,,,,0.0,,,0.0,,
CCCn1nnc2c(=O)oc3ccccc3c21,CID829142,,,,,,,,,,,,,,0.0,0.0,,
CC1CCc2c(sc3ncnc(SCC(=O)N4CCN(C(=O)c5ccco5)CC4)c23)C1,CID2999005,,,0.0,,0.0,0.0,,,,,0.0,,,,,,0.0
CCc1nc(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)c2c3c(sc2n1)CCCC3,CID649930,,,,0.0,0.0,0.0,,,,,,,,,,0.0,0.0
CC(=O)Cc1nsc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)n1,CID2345620,,,,,,,,,,,0.0,,,,,,
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nc(CC(C)=O)ns2)cc1,CID2345621,,,,,,,,0.0,,,0.0,,,,,0.0,
CCOC(=O)N1CCC(NC(=O)c2cc(C(=O)NCc3cccc(Cl)c3)ccc2CO)CC1,CID3244127,,,,,,,,,,,,,0.0,,,,
CCOC(=O)N1CCC(NC(=O)c2cc(C(=O)NCc3ccc(F)cc3)ccc2CO)CC1,CID3237830,,,,,,,0.0,0.0,,,,,,,,,0.0
CC(C)c1nc(SCC(=O)NCc2ccc3c(c2)OCO3)c2c(=O)n(C)c(=O)n(C)c2n1,CID5310185,,,,,,,,0.0,,,,,0.0,,,0.0,
CCCc1nc(SCC(=O)NCc2ccc3c(c2)OCO3)c2c(=O)n(C)c(=O)n(C)c2n1,CID5310051,,,0.0,,,,,,,,,,0.0,,,0.0,
O=c1oc2ccccc2cc1-c1nc(-c2cccs2)cs1,CID783359,,,,,,,,,,,,,,0.0,,,
COc1cccc2cc(-c3nc(-c4cccs4)cs3)c(=O)oc12,CID3239008,,,,,,0.0,0.0,,,,,,,,,,0.0
COc1cccc2c1OC1(C)CC2C(C(C)=O)=C(O)N1,CID3236620,,,,0.0,0.0,,,0.0,,,,,,,,,
CCOC(=O)C1=C(C)N(C)C2(C)CC1c1ccccc1O2,CID3237421,,,,,,,,0.0,,,,,,,,,
CCc1nnc(NC(=O)CSc2nnc(CSc3nc(C)cc(C)n3)n2CC)s1,CID655788,,,,,0.0,,,,,,,0.0,,,,,
CCc1nnc(NC(=O)CSc2nnc(CSc3nc(C)cc(C)n3)n2C)s1,CID655081,,,,,0.0,,,,,,,,,,,,
COc1cccc(NC(=O)N(Cc2ccco2)C(C)c2cccs2)c1,CID3244128,,,,,0.0,,,0.0,,,,,,,,,
CCc1ccc(NC(=O)N(Cc2ccco2)C(C)c2cccs2)cc1,CID4613736,,,,,,0.0,,,,,,,,,,,
COC(=O)C(Cc1ccc(O)cc1)NC(=O)CCC(=O)Nc1ccc(S(N)(=O)=O)cc1,CID658083,,,,,,,,,,,0.0,,,,,,
CCOC(=O)C(Cc1ccc(OC)c([N+](=O)[O-])c1)NC(=O)CCC(=O)Nc1ccc(OC)cc1,CID3111561,,,,,,,,,,,,,,0.0,,,
CC1CCC(NC(=O)CN2CCC(n3nnc4cc(F)ccc43)CC2)CC1,CID655303,,0.0,,,,,,,,,,,,,,,
O=C(CN1CCC(n2nnc3cc(F)ccc32)CC1)NC1CCCCC1,CID655318,,,0.0,,,,0.0,0.0,,0.0,,0.0,,,,,
CN(CC(=O)N1CCc2ccccc21)S(=O)(=O)c1cccc2cccnc12,CID5307494,,,0.0,,,,0.0,0.0,,,,,,,,,
CC1Cc2ccccc2N1C(=O)CN(C)S(=O)(=O)c1cccc2cccnc12,CID6620122,,,,,,,,,,0.0,,,,,,,
O=c1c2c([nH]c3ccc(Br)cc13)CCCC2,CID655308,0.0,,,,,,,,,,,,,,,0.0,0.0
CC(C)(C)C1CCc2[nH]c3ccccc3c(=O)c2C1,CID2870379,,,0.0,,,,,0.0,,,0.0,,,,,0.0,0.0
Cc1cc([N+](=O)[O-])nn1CCCC(=O)NC1CCCCC1,CID5055739,,,,,,,,,,,,,,,0.0,,
Cc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)NC1CCCCC1,CID757094,,,,,,,,,,,,,,0.0,,,
O=C(CSc1nnc(CNc2ccccc2)o1)c1ccc2c(c1)OCCO2,CID651939,0.0,,0.0,,0.0,,,0.0,,,,,,,,0.0,0.0
Cc1ccc(NCc2nnc(SCC(=O)c3ccc4c(c3)OCCO4)o2)c(C)c1,CID649202,0.0,,0.0,0.0,0.0,,,,,,0.0,,0.0,,,0.0,
O=S(=O)(c1cccc(-c2csc(-c3cccnc3)n2)c1)N1CCCCC1,CID663534,0.0,0.0,0.0,,,,0.0,,,,,,0.0,0.0,,,
CC1CCN(S(=O)(=O)c2cccc(-c3csc(-c4cccnc4)n3)c2)CC1,CID1833386,,,,,,,,,,,0.0,,,,,,
COc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCOCC2)cc1[N+](=O)[O-],CID1254616,,,,,,,,,,,,0.0,,,,,
COc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCOCC2)cc1[N+](=O)[O-],CID1292253,,,,,,,,,,,,,,,0.0,,
COc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)nc12,CID1548582,,,,,0.0,,0.0,,,,0.0,,0.0,0.0,,0.0,
CCOc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)sc2c1,CID2335574,,,,,0.0,0.0,0.0,,,,,,,,,0.0,0.0
CCc1ccc2c(c1)cc(CN(C(=S)Nc1ccccc1)C1CC1)c1nnnn12,CID1454948,,,,,,,,,,,,0.0,,,,,
CCc1ccc2c(c1)cc(CN(C(=S)Nc1ccc(Cl)cc1)C1CC1)c1nnnn12,CID1454926,,,,,,,,,,,,,,0.0,,,
O=C1c2ccccc2C(O)(c2ncc[nH]2)N1CCc1ccccc1,CID2865571,,,,,,,,,,,0.0,0.0,,,,,
COc1ccc(CCN2C(=O)c3ccccc3C2(O)c2ncc[nH]2)cc1OC,CID2865452,,,,,,,,,0.0,,,0.0,,,,,
O=C(c1ccc2c(c1)OCCO2)N1CCCCC1,CID2890,,,0.0,,,,,,0.0,,,,0.0,,,0.0,
CC1CCN(C(=O)c2ccc3c(c2)OCCO3)CC1,CID977526,,,,0.0,,,0.0,0.0,0.0,,,,,,0.0,0.0,
CCOC(=O)CSc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)s1,CID2064370,,,,,0.0,,0.0,,0.0,,,0.0,0.0,,,,
O=C(Nc1nncs1)c1cccc(S(=O)(=O)N2CCCCC2)c1,CID1101754,,,,,,,,,0.0,0.0,0.0,,,0.0,,,
COc1ccc(-c2cc(C(=O)N3CCN(Cc4ccccc4)CC3)no2)cc1OC,CID3245190,0.0,,,,,,,,,,,,,,,,
COc1cccc(-c2cc(C(=O)N3CCN(Cc4ccccc4)CC3)no2)c1,CID3238831,0.0,,,,,,,,0.0,0.0,,0.0,,,,,0.0
OC(COc1ccc2c(c1)CCC2)Cn1cnc2ccccc21,CID2979648,,,,0.0,0.0,,,,,0.0,,,,,,,
c1ccc2c(c1)ncn2CCCOc1ccc2c(c1)CCC2,CID2966329,,,,,,0.0,,,,,,,,,,,
COc1ccc2c(c1)C=C(C(=O)OCc1cccnc1)CO2,CID1478824,,,,,,,,,,,,,,0.0,,,
COc1cccc2c1OCC(C(=O)OCc1cccnc1)=C2,CID1475914,,,,,,,,,,,,,,,0.0,,
O=c1cc(CSc2nnnn2-c2ccccc2)[nH]c(Nc2ccc(F)cc2)n1,CID1214378,,,,,,,,,,,1.0,,,,0.0,,
Cc1ccc(Nc2nc(=O)cc(CSc3nnnn3-c3ccccc3)[nH]2)cc1,CID1214377,,,0.0,,0.0,,,,,,,,0.0,,0.0,,
O=C(C1=CC(c2ccc(Br)cc2)CC(OCc2ccc(CO)cc2)O1)N1CCOCC1,CID16195776,,,,,,,,,,,,,,,0.0,,
C#Cc1ccc(C2C=C(C(=O)N3CCOCC3)OC(OCc3ccc(CO)cc3)C2)cc1,CID16195722,,,,,,,,,,,,,,,0.0,,
Cc1cc(N2CCC3(CC2)OCCO3)n2nc(C)c(-c3ccc(Cl)cc3)c2n1,CID3242413,,,,,0.0,,,,,,0.0,,,,,,
COc1ccccc1-c1c(C)nn2c(N3CCC4(CC3)OCCO4)cc(C)nc12,CID3239521,0.0,,0.0,,0.0,,,0.0,0.0,,,0.0,,,,,
O=C(COC(=O)c1ccc2ncsc2c1)NC(=O)c1ccccc1,CID2478326,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(C(=O)NC(=O)COC(=O)c2ccc3ncsc3c2)cc1,CID2161840,,,,,,,,,,,,,,0.0,,,
C=CCN(C(=O)Nc1ccc2oc(C)nc2c1)c1ccccc1,CID900396,,,,,,,,,,,0.0,0.0,,,,,
Cc1ccc(NC(=O)Nc2ccc3oc(C)nc3c2)cc1,CID893592,,,,,,0.0,,,,,,,,,,,
Cc1ccc(CN2C(=O)CCSc3ccc(Cl)cc32)cc1,CID1479778,,,,,,,,,,,,,,0.0,,,
O=C1CCSc2ccc(Cl)cc2N1Cc1ccccc1,CID1479779,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(Cn2nnnc2C(c2cccs2)N2CCN(c3ccccc3)CC2)cc1,CID649016,0.0,,0.0,,,,,,,,,,,,,0.0,
COc1ccc(Cn2nnnc2C(c2cccs2)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1,CID3193458,,,,,,,,,,,0.0,,,,,,
COc1ccc(CC(=O)OCc2cc(=O)n3cc(Br)ccc3n2)cc1OC,CID2429966,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(CC(=O)OCc2cc(=O)n3cc(Br)ccc3n2)cc1,CID2088251,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)c2c(-n3cccc3)c(C(=O)NNS(=O)(=O)c3ccccc3)sc2n1,CID1472460,,,,,,0.0,,,,,,,,0.0,0.0,,
Cc1cc(C)c2c(-n3cccc3)c(C(=O)NNS(=O)(=O)c3ccc(F)cc3)sc2n1,CID1472459,,,,,,0.0,,,,,,,,0.0,,,
COc1ccc(OCc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cc1,CID2422930,,,,,,,,,,,,,,,0.0,,
COc1ccc(NS(=O)(=O)c2ccc3nc(COc4ccc(Cl)c(C)c4)[nH]c3c2)cc1,CID2106389,,,,,,,,,,,,,,,0.0,,
Cc1nc(NC(C)c2ccccc2)c2c3c(sc2n1)CCC3,CID4004713,,,,,,0.0,,,,,,,,,,,
Cc1ccc(CNc2nc(C)nc3sc4c(c23)CCC4)cc1,CID2368021,,,,,,0.0,,,,,,0.0,,,,,
COC(=O)Nc1sccc1C(=O)Nc1sccc1C(=O)OC,CID2225263,,,,,,,0.0,,,,,,,,,,
CCOC(=O)c1c(NC(=O)c2csc(C)c2)sc(C(C)=O)c1C,CID1244099,,,,,0.0,,0.0,,,0.0,,,0.0,,,,
Cc1ccc(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)nc1,CID1719992,,,,,,,,,,,,,,0.0,,,
Cc1cccc(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)n1,CID2233111,,0.0,0.0,,0.0,,,0.0,0.0,,0.0,,0.0,,,,
COc1ccc(/C(N)=N/OC(=O)COc2ccc3ccccc3c2)cc1,CID5348731,,,,,,0.0,,,,,,,,,,,
N/C(=N\OC(=O)COc1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1,CID5346369,,,,,,0.0,,,,,,,,,,,
Cc1ccc(NC(=O)CCN2C(=O)CSC2=O)cc1,CID3155768,,,,,,,,,,,,0.0,,,,,
O=C(CCN1C(=O)CSC1=O)Nc1ccccc1,CID648786,,0.0,,,,,0.0,,,,,,,,0.0,,
COC(=O)c1sccc1NC(=O)C1CCCCC1C(=O)O,CID2933845,,,,,,,,,,,,,,0.0,,,
COC(=O)c1scc(C)c1NC(=O)C1CCCCC1,CID3811641,,,,,,,,,,,,0.0,,,,,
CCOc1ccc(Cc2n[nH]c(=S)n2Cc2ccccc2)cc1,CID890367,,,,,,,,,,,,,,0.0,,,
COc1ccc(Cc2n[nH]c(=S)n2Cc2ccccc2)cc1Cl,CID974724,,,,,,,,,,,,,,,0.0,,
COc1ccc2cc3c(N)nn(C(=O)Cc4ccc(Cl)cc4)c3nc2c1,CID6619057,,,,,,0.0,,,,,,,,,,,
COc1ccc2cc3c(N)nn(C(=O)Cc4ccccc4OC)c3nc2c1,CID5307507,,,,,,0.0,,,,,,,,,,,0.0
CCC(=O)N(Cc1cccs1)C1CCOC(C)(C)C1,CID661683,,,0.0,,,,,,,,,,,,,,0.0
CC(=O)N(Cc1cccs1)C1CCOC(C)(C)C1,CID2965348,,,,,,,0.0,,,0.0,,,0.0,,,0.0,0.0
O=c1n(-c2cccc(Cl)c2)c(=O)n2n1CCC2,CID714386,,,0.0,0.0,,,,,,,,,0.0,,,0.0,0.0
O=c1n(-c2ccccc2)c(=O)n2n1CCC2,CID714678,,,,,,,,0.0,0.0,,0.0,,,,,,
Cc1ccc(S(=O)(=O)c2nc(Nc3ccccc3N3CCOCC3)sc2Cl)cc1,CID2321655,,,,,,,,,0.0,,,,,,,,
O=S(=O)(c1ccccc1)c1nc(Nc2ccccc2N2CCOCC2)sc1Cl,CID1541647,,,0.0,,0.0,,,,0.0,,,,,,,,
Cc1cc(C)n2c(SCC(=O)Nc3ccccc3)nnc2n1,CID2082828,,,,0.0,0.0,0.0,,,,0.0,0.0,,0.0,,0.0,0.0,
CCN(c1ccc(NC(=O)CSc2nnc3nc(C)cc(C)n23)cc1)C(C)C,CID2339893,,,,,,,,,,,0.0,,,,,,
CCCC#C/C=C1/Cn2c(nc3ccccc32)S1,CID6523423,,,,,,0.0,,,,,,,,,,,
CCCCC#C/C=C1/Cn2c(nc3ccccc32)S1,CID6534293,,,,,,0.0,,,,,,,,,,,
Brc1[nH]nc2ccccc12,CID721568,,,,,,,,,,,,,,,,0.0,0.0
Cn1cc2cccc([N+](=O)[O-])c2n1,CID159668,,,,,,,,,,,,,,,0.0,,
CN(C)/C=C(/C(=O)c1ccccc1)n1cncn1,CID2764810,,,,,,,,,,,,,,0.0,,,
CN(C)/C=C(/C(=O)c1ccc(Cl)cc1)n1cncn1,CID1486538,,,,,,,,,,,,,,,0.0,,
CCN(CC)CC(C)CNC(=O)CC(C(=O)N1CCc2ccccc21)n1ccnc1,CID3245556,,,,,,,,0.0,,,,,,,,,
CCCN(CCC)CCCNC(=O)CC(C(=O)N1CCc2ccccc21)n1ccnc1,CID3244940,,,0.0,0.0,,0.0,,0.0,,,,,,,,,
COc1ccc(-c2oc3ncn(CCN4CCOCC4)c(=N)c3c2-c2ccc(OC)cc2)cc1,CID667214,0.0,,0.0,,,,,,,,0.0,,0.0,,0.0,,
N=c1c2c(-c3ccccc3)c(-c3ccccc3)oc2ncn1CCN1CCOCC1,CID666135,0.0,,0.0,,,,,0.0,,,,0.0,0.0,,,,
CN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCCSc2ncccn2)CC1,CID667219,,,,,0.0,,,,,,,,,,,,
CCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCCSc2ncccn2)CC1,CID664546,,0.0,,0.0,0.0,,,,,,,,0.0,,0.0,,
FC(F)C(F)(F)C1=CC(c2ccccc2)=NCCN1,CID623248,,,,,,,,,0.0,,,,,,,,
FC(F)(F)C1=CC(c2ccccc2)=NCCN1,CID705419,,,,,,,,,0.0,,,,,,,,
Cn1c(=O)cc(SCC(=O)Nc2ccc3c(c2)OCO3)c2ccccc21,CID3244830,,,,,0.0,,0.0,,,,0.0,,0.0,,,,
CCn1c(=O)cc(SCC(=O)Nc2ccc3c(c2)OCO3)c2ccccc21,CID3242817,0.0,,,,,,,,,,,,0.0,,,,
O=C(CCCn1c(SCC(=O)c2ccc(F)cc2)nc2ccccc2c1=O)NCc1ccco1,CID3244833,,,,,0.0,,,,,,,,,,,0.0,0.0
O=C(CCCn1c(SCC(=O)c2ccc(Cl)cc2)nc2ccccc2c1=O)NCc1ccco1,CID3241008,,,,,0.0,,0.0,,0.0,,0.0,,0.0,,,,
CS(=O)(=O)N1CCCC(C(=O)NCc2cccs2)C1,CID3244835,,,0.0,,,0.0,0.0,,,,,,,,,,
CN(C)C(=O)N1CCCC(C(=O)NCc2cccs2)C1,CID3242124,,,,0.0,,,,0.0,,0.0,,,,,,,
COc1cc2c(cc1OC)C(=S)NC(C)(C)C2,CID2849091,,,,,,,,,,0.0,,,,,,,
CCCCC1(C)Cc2ccccc2C(=S)N1,CID3122246,,,,,,,,,,,,,,0.0,,,
COc1cccc(/C=C2\SC(=S)N(NC(=O)c3ccncc3)C2=O)c1,CID1365592,,,,,,,,,,,,,,,0.0,,
COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccncc3)C2=O)cc1OC,CID1274209,,,,,,,,,,,,,,,0.0,,
Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2CC2CCCO2)c1,CID664790,,0.0,0.0,0.0,0.0,0.0,,,,0.0,,,,0.0,,,
Cn1c(=O)c2c(-c3ccc(C(C)(C)C)cc3)n(CC3CCCO3)cc2n(C)c1=O,CID4220848,,,,,,,,,,,,,,,0.0,,
O=C(N/N=C/c1ccco1)c1ccc(Br)o1,CID839920,,,,,,,,,,,,0.0,,,,,
Cc1ccc(C(=O)N/N=C/c2ccc(Br)o2)o1,CID872451,,,,,,,,,,,,0.0,,,,,
Cc1cc(C)n(C(C)n2nc(C)cc2C)n1,CID644841,,0.0,,0.0,,,,,,,,,,0.0,,,
Cc1cc([N+](=O)[O-])nn1Cn1nc([N+](=O)[O-])cc1C,CID1421204,,,,,,,,,,,,,,,0.0,,
Cn1cnnc1Sc1nc2c(c(=O)n(C)c(=O)n2C)n1C,CID644848,,,,,0.0,,,,,,,,,,,,
C=CCn1c(Sc2nncn2C)nc2c1c(=O)[nH]c(=O)n2C,CID652823,,0.0,,0.0,0.0,,,,,,,,0.0,,,,
CCc1c(C)nc2ncnn2c1N1CCCC(C(=O)NCCc2ccc(OC)cc2)C1,CID648689,,0.0,,,,0.0,,,,,,0.0,,,,,
CCc1c(C)nc2ncnn2c1N1CCCC(C(=O)NCCc2ccccc2)C1,CID652666,,0.0,0.0,,,0.0,,,,0.0,,,,,,,
O=C(Nc1ccc2c3c(cccc13)CC2)c1ccco1,CID648685,,,,,,0.0,0.0,,0.0,,0.0,,,,,,
O=C(Nc1ccc2c3c(cccc13)CC2)c1ccc(Br)o1,CID876239,,,,,,,,,0.0,,,0.0,,,0.0,,
Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)CN3CCCCC3)cc2)cc1,CID1085052,,0.0,,0.0,0.0,,,,,,,,,,,0.0,
Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)CN3CCCCC3)c(Cl)c2)cc1,CID1147316,,,,,,,,,0.0,,0.0,,,,,,
COC(=O)c1c(NC(=O)c2ccccc2)sc(Cc2ccccc2)c1C,CID1050562,,,,,,,,,,,,,,0.0,,,
COC(=O)c1c(NC(=O)c2ccc(C)cc2)sc(Cc2ccccc2)c1C,CID1722677,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C)n1CCN1CCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1,CID3238983,,,,,0.0,,,,0.0,0.0,,,,,,0.0,
Cc1ccc(C)n1CCN1CCN(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1,CID3243115,0.0,,,,,,0.0,,,,,,,,,,
Cc1ccc(-c2nnn(CC(=O)Nc3nnc(C(C)C)s3)n2)cc1,CID846194,,,,,,,,,,,,,,,0.0,,
CCc1nnc(NC(=O)Cn2nnc(-c3ccccc3F)n2)s1,CID653408,,,,0.0,0.0,,,,,,,,,,,0.0,
COc1ccccc1C(=O)NC1CCCCCCC1,CID902873,,,,,,,,,,0.0,0.0,0.0,,,,,
O=C(NC1CCCCCCC1)c1ccccc1O,CID696449,,,,0.0,,,,,,0.0,0.0,,,,,0.0,
OC(COc1ccc2ccccc2c1)CN1CCCC1,CID649159,,,0.0,,,,0.0,0.0,,,0.0,,,,,,
OC(COc1ccc2cc(Br)ccc2c1)CN1CCCC1,CID2957321,0.0,,,,,,,,,,0.0,0.0,,,,,0.0
CCOc1ccc(N2C(=O)C3ON(c4ccccc4)C(c4cccs4)C3C2=O)cc1,CID2867550,,,,,,,,,,,,,,,0.0,,
COc1cccc(N2C(=O)C3ON(c4ccccc4)C(c4cccs4)C3C2=O)c1,CID4127748,,,,,,,,,,,,,,,,,0.0
N#CC1=C(N)SC(N)=C(C#N)C1CCc1ccccc1,CID653805,,,,,,,,,,0.0,,,,,,0.0,
CC(CC1C(C#N)=C(N)SC(N)=C1C#N)c1ccccc1,CID655199,,,,,,,,,,0.0,,,,,,0.0,
CC1Oc2ccccc2N(CC(=O)NCC2CCCO2)C1=O,CID652750,,0.0,,0.0,,,,,,,,,0.0,,,,
Cc1ccc2c(c1)N(CC(=O)NCC1CCCO1)C(=O)C(C)O2,CID3225035,,,,,,,,,,0.0,0.0,,,,,,
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc2c(c1)OCCO2,CID1221918,0.0,,,,,,,,,,,,,,,,
Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc2c(c1)OCCO2,CID735875,0.0,,,,,,,0.0,0.0,0.0,,,0.0,0.0,,,
Cc1csc(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)n1,CID2161110,,,,,0.0,,0.0,,,,,,0.0,,,,
Cc1csc(SCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1,CID2128866,,,,,0.0,,,,0.0,,,,,0.0,,,
COC(=O)CSc1nc(C2CC2)cc(C(F)(F)F)c1C#N,CID655405,,,,,0.0,,,,,,,,,,,,
CCOC(=O)C(C)Sc1nc(C2CC2)cc(C(F)(F)F)c1C#N,CID3154953,,,,,,,,,,0.0,,,,,,,
Cc1ccc(CNC(=O)CN2C(=O)C3(OCCCO3)c3ccccc32)cc1,CID3239679,,0.0,,,,,,,0.0,,0.0,,,,,,
O=C(CN1C(=O)C2(OCCCO2)c2ccccc21)NCc1ccccc1,CID3235761,,,0.0,,,,,,0.0,,0.0,,0.0,,,,
Cn1cc(S(=O)(=O)N2CCc3ccccc3C2)c(=O)n(C)c1=O,CID5310444,,,,,,,,,,,,,0.0,,,,
Cc1c(S(=O)(=O)N2CCc3ccccc3C2)c(=O)n(C)c(=O)n1C,CID5310475,,,,0.0,,,,,,,,,0.0,,,,
Cc1cccc(Sc2c(C=O)c3ccccc3n2C)c1,CID3417676,,,,,,0.0,,,,,,,,,,,
Cn1c(Sc2ccc(Cl)cc2)c(C=O)c2ccccc21,CID2763795,,,,,,,,,,,,,,0.0,0.0,,
O=C(NCCc1ccccc1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,CID5076888,,,,,,1.0,,,,,0.0,,,,,,
COc1ccc(CCNC(=O)c2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1OC,CID3238500,,,,,,,,,,,,,,,0.0,,0.0
COc1ccc(-c2nc(CSCC(=O)NCc3ccc4c(c3)OCO4)c(C)o2)cc1OC,CID5307510,,,,,,,,,,,,,,0.0,,,
Cc1oc(-c2ccccc2F)nc1CSCC(=O)NCc1ccc2c(c1)OCO2,CID3237739,,,0.0,,,,0.0,,,,,,,,,,
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCNCC1)n2CCOc1ccccc1,CID654753,,,0.0,0.0,,,0.0,,,,,,,,,,
CN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCOc2ccccc2)CC1,CID655458,,,,0.0,,,,0.0,,,,,,,,,0.0
CCOC(=O)c1cc2occc2n1CC(=O)N1CCOCC1,CID654755,,,,,,,,0.0,,,0.0,,0.0,,,,
CCC(C(=O)N1CCOCC1)n1c(C(=O)OC)cc2occc21,CID3241399,,,,0.0,,0.0,,,,,,0.0,0.0,,,,
COc1cccc(NC(=O)n2nc(N)cc2-c2ccc(Cl)cc2)c1,CID5309595,0.0,,,,,,,,,,,,,,,,
COc1cccc(-c2cc(N)nn2C(=O)Nc2ccc(Cl)cc2)c1,CID5309448,0.0,,0.0,,,,,,,,,,,,,0.0,
O=C(CSc1nc2cc(Cl)ccc2o1)N1CCOCC1,CID975667,0.0,0.0,,,,,,,,,,,,,,,0.0
CC1CN(C(=O)CSc2nc3cc(Cl)ccc3o2)CC(C)O1,CID2999508,0.0,0.0,0.0,0.0,0.0,,,,,0.0,,,0.0,,,,
O/N=C(\CCc1ccccc1)C1(O)CCCCC1,CID762441,,,,,,0.0,,,,,0.0,,,,,,
COc1ccc(CC/C(=N\O)C2(O)CCCCC2)cc1,CID795055,,,0.0,,,0.0,,,,,0.0,,,,,,
Cc1nnc(SCC(=O)N2CCC(C(=O)Nc3nccs3)CC2)n1Cc1ccccc1,CID2526478,,0.0,,0.0,,,0.0,,,,,,,,,0.0,
Cc1csc(NC(=O)C2CCN(C(=O)CSc3nnc(C)n3Cc3ccccc3)CC2)n1,CID2998290,,0.0,0.0,,,,,,,,,0.0,,,,0.0,0.0
CCCn1nc(C(=O)NCc2ccccn2)c2ccccc2c1=O,CID2092318,,0.0,0.0,0.0,,,,,,,,,0.0,,,,
Cn1nc(C(=O)NCc2ccccn2)c2ccccc2c1=O,CID2116993,,0.0,,0.0,,,,0.0,,,,,0.0,,,,
COc1cc(NC(=O)c2c(-c3ccccc3Cl)noc2C)c2ncccc2c1,CID1311750,0.0,,0.0,0.0,,,,,,0.0,,,,,,0.0,0.0
Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc2cccnc12,CID1119204,0.0,0.0,,0.0,,,0.0,,,,,,,,,0.0,0.0
Cn1c(NC(=O)c2ccco2)cc(=O)n(C)c1=O,CID868258,,,,,,,,,0.0,,,0.0,,,,,
Cn1c(NC(=O)c2ccc(Br)o2)cc(=O)n(C)c1=O,CID771128,,,,,,,0.0,,,,,,,,,0.0,0.0
Nc1nc(C2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cs1,CID2998200,,0.0,,,,,0.0,,,,0.0,,,,,,
CC(C)(C)C(=O)Nc1nc(C2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cs1,CID4455050,,,,,,,,,,0.0,,,,,,,
CC1=CC(C)(C)N(C(=O)CSc2ncn[nH]2)c2ccc(C)cc21,CID702897,,,,,,,,,,,0.0,,,,,,
CC1=CC(C)(C)N(C(=O)CSc2ncn[nH]2)c2ccccc21,CID673638,,,,,,,,,,0.0,0.0,0.0,,,,,
O=C(CCc1ccccc1)OCC(=O)c1cccc([N+](=O)[O-])c1,CID568849,,,,,,,,,,,,,,,0.0,,
COc1ccc(CCC(=O)OCC(=O)c2ccc(C)cc2)cc1,CID849965,,,,,,,,,,,,,,0.0,,,
N#Cc1c2n(c3c(=O)n(Cc4ccccc4Cl)cnc13)CCCCC2,CID657822,0.0,,0.0,,,,,,,,,,,,,,
N#Cc1c2n(c3c(=O)n(Cc4ccc(Cl)cc4)cnc13)CCCCC2,CID1069465,0.0,0.0,,,,,0.0,,,,,,,,,,
Cn1c2c(c(=O)[nH]c1=O)C(NC(=O)c1ccco1)(C(F)(F)F)C(=O)N2,CID662249,,,,,,,,,0.0,,,,,,,,
Cn1c2c(c(=O)n(C)c1=O)C(NC(=O)c1ccco1)(C(F)(F)F)C(=O)N2,CID662421,,,,,,,0.0,,0.0,,,,,,,,
O=C(N/N=C/c1ccco1)C1CC1(c1ccccc1)c1ccccc1,CID2828482,,,,,,,,,,,,,,0.0,,,
C/C(=N\NC(=O)C1CC1(c1ccccc1)c1ccccc1)c1ccco1,CID575481,,,,,,,,,,,,,,0.0,,,
CS(=O)(=O)N1CCN(c2ccccc2NC(=O)c2ccc(-c3ccc(Br)cc3)o2)CC1,CID1254578,,,,,,,,,,,0.0,,,,0.0,,
CS(=O)(=O)N1CCN(c2ccccc2NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)CC1,CID1254511,0.0,,,0.0,,,,,0.0,,,,0.0,,,,
O=C(NC(Cc1c[nH]c2ccccc12)C(=O)O)c1ccccc1,CID294891,0.0,,,,0.0,,0.0,,0.0,0.0,0.0,,,,,,0.0
Cc1ccc(C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)cc1,CID2787314,,,,,,,,,0.0,,,0.0,,,,,
O=C(c1cccc(Br)c1)N1CCN(C(=O)N2CCCCC2)CC1,CID1302053,,,,,,,0.0,,0.0,,0.0,0.0,,,0.0,,
O=C(c1ccccc1)N1CCN(C(=O)N2CCCCC2)CC1,CID645061,,,,,,,,,,,,,0.0,,,,
CCc1ccc(C(=O)CSc2nc(=O)c(C)n[nH]2)cc1,CID2112302,,,,,,,,,,,,0.0,,,,,
Cc1cc(C)c(C)c(C(=O)CSc2nc(=O)c(C)n[nH]2)c1C,CID1172318,,,,,,,,,,,,,,,0.0,,
COC(=O)CN(C(=S)Nc1ccc(Cl)cc1)C1CC(=O)N(c2ccc(OC)cc2)C1=O,CID2872558,,,,,,0.0,,,,,,0.0,,,,,
COC(=O)CN(C(=S)Nc1ccc(F)cc1)C1CC(=O)N(c2ccccc2)C1=O,CID2872957,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)c2c(-n3cccc3)n[nH]c2n1,CID1472386,,,,,,0.0,,,,,,0.0,,,,,
Cc1cc(C)c2c(-n3cccc3)nn(CC#N)c2n1,CID1477616,,,,,,0.0,,,,,,,,,0.0,,
Cc1ccc(CCC(=O)Nc2nccs2)o1,CID705798,,,0.0,0.0,0.0,0.0,,0.0,,,,,0.0,,,,
CCc1ccc(CCC(=O)Nc2nccs2)o1,CID652739,,0.0,0.0,0.0,0.0,,,0.0,,0.0,0.0,,,,0.0,,0.0
Cc1ccc(CCC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)o1,CID750965,,,,,,0.0,,,,,,,,,,,
CCc1ccc(CCC(=O)Nc2ncc(Cc3ccccc3Cl)s2)o1,CID1873833,,,,,,,,,,,,,,,0.0,,
CC(NC(=O)Cc1ccccc1)C1COc2ccccc2O1,CID2877817,,,,,,,,,,,,,,,0.0,,
COc1cccc(CC(=O)NCC2COc3ccccc3O2)c1OC,CID3243624,,,,0.0,,,,,0.0,,,,,,,0.0,
Cc1ccc(S(=O)(=O)N/N=C/c2ccc(OC3CSC3)cc2)cc1,CID2279080,,,,,,0.0,,,,,,,,0.0,0.0,,
O=S(=O)(N/N=C/c1ccc(OC2CSC2)cc1)c1ccccc1,CID882077,,,,,,,,,,,,,,0.0,0.0,,
O=C(Nc1cccc(Br)c1)/C(=C\c1cccnc1)NC(=O)c1ccco1,CID5441803,,,,,,,,,,,,0.0,,,,,
O=C(Nc1ccccc1)/C(=C/c1cccnc1)NC(=O)c1ccco1,CID1568575,,,,,,,,,,,,,,,0.0,,
O=C(CCc1ccccc1)NNC(=S)NC(=O)c1ccccc1,CID1790575,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)NC(=S)NNC(=O)CCc2ccccc2)cc1,CID1790695,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccc2c(=O)nc(CSc3nc(-c4ccc(F)cc4)cs3)[nH]c2c1,CID2527230,,,,,,,,,,,,,,0.0,,,
COc1cc2[nH]c(CSc3nc(-c4ccc(F)cc4)cs3)nc(=O)c2cc1OC,CID2524858,,,,,,,,,,,,,,0.0,,,
Cc1nc(SCC(=O)NCc2ccco2)c2c3c(sc2n1)CCCC3,CID1068336,0.0,0.0,,0.0,0.0,0.0,0.0,,0.0,,0.0,,,,0.0,,
CCc1nc(SCC(=O)NCc2ccco2)c2c3c(sc2n1)CCCC3,CID651813,0.0,,0.0,0.0,0.0,,0.0,,0.0,0.0,0.0,,0.0,,,,
CC1CCN(CC(=O)N2CCCc3c2c(=O)oc2ccc(OCc4ccccc4)cc32)CC1,CID1504046,,,,,,,,,0.0,,,,,,,,
O=C(CN1CCCCC1)N1CCCc2c1c(=O)oc1ccc(OCc3ccccc3)cc21,CID998884,,,,,,,,,0.0,0.0,,0.0,,,,,
CCCCn1nnnc1SCC(=O)N1CCCC1,CID3212940,,,,,,,,,,0.0,,,,,,,
CCCn1nnnc1SCC(=O)N1CCCC1,CID1452244,,,,,,,,,,0.0,,,,,,,
CSc1nc2nccc(-c3ccc(Oc4ccccc4)cc3)n2n1,CID1482341,,,,,,,,,,,0.0,,,,,,
c1ccc(Oc2ccc(-c3ccnc4ncnn34)cc2)cc1,CID1476968,,,,,,,,,,,,,,0.0,0.0,,
Cc1nc(NC(C)C(=O)O)c2nc(C)oc2n1,CID3239904,,0.0,,0.0,,,,,,,,0.0,,,0.0,,
Cc1nc(NC(CC(C)C)C(=O)O)c2nc(C)oc2n1,CID605552,,0.0,0.0,0.0,,,,0.0,,,,,,,,,
CSc1nsc(SCc2ccc(F)cc2)n1,CID2222075,,,,,0.0,,,,,,,,0.0,0.0,0.0,,
CSc1nsc(SCc2ccc(Cl)cc2)n1,CID1266364,,,,,,,,,0.0,,,,,,,,
CCOc1ccccc1Nc1nc(-c2sc(NC(=O)c3ccco3)nc2C)cs1,CID11958450,,,,,,0.0,,,,,,,,,,,
Cc1ccc(Cl)cc1Nc1nc(-c2sc(NC(=O)c3ccco3)nc2C)cs1,CID11958624,,,,,,,,,,,,,,,0.0,,
CCCCn1c([O-])c(-[n+]2ccccc2)c(=O)c2ccccc21,CID3731609,,,,,,,,,,,,0.0,,,,,
Cn1c([O-])c(-[n+]2ccccc2)c(=O)c2ccccc21,CID775815,,,,,,,,,0.0,0.0,0.0,,,,0.0,,
Cc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)Cc3nnnn3C3CCCC3)cc2c1,CID654227,,,,,,,,,,,0.0,,,,,,
COc1ccc2cc(CN(CCCN3CCOCC3)Cc3nnnn3C3CCCC3)c(=O)[nH]c2c1,CID648737,,0.0,,,,,,,,,,,,,,,
COc1ccc2cc(C(c3nnnn3C(C)(C)C)N3CCc4ccccc4C3)c(=O)[nH]c2c1,CID649302,,0.0,,,,,,,,0.0,,,,,,,
COc1cc2cc(C(c3nnnn3C(C)(C)C)N3CCc4ccccc4C3)c(=O)[nH]c2cc1OC,CID646601,,,0.0,,,,,,0.0,,,0.0,,,,,
Cc1cc(C)n(-c2n[nH]c(C)c2[N+](=O)[O-])n1,CID534075,,,,,,,,,,,,,,,0.0,,
Cc1ccn(-c2n[nH]c(C)c2[N+](=O)[O-])n1,CID762763,,,,,,,,,,,,,,,0.0,,
COc1cc2c3c(c1)-c1c(sn(-c4cc(OC)ccc4OC)c1=S)C(C)(C)N3C(=O)C2=O,CID2200666,,,,,,0.0,,,,,,,,,,,
CCCOc1ccccc1-n1sc2c(c1=S)-c1cc(OC)cc3c1N(C(=O)C3=O)C2(C)C,CID1892804,,,,,,,,,,,0.0,,,,,,
O=C1CCCc2oc3ccc(O)cc3c21,CID608764,,,,,,,,,,,,0.0,,,,,
CC(=O)Oc1ccc2oc3c(c2c1)C(=O)CCC3,CID608763,,,,,,,,,,0.0,,,,0.0,,,
Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C(=O)c2ccccc2)c1,CID1351404,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(=O)Nc2ccc(C)cc2C(=O)c2ccccc2)cc1,CID4163626,,,,,,,,,,,,,,,0.0,,
Cc1ccc(NC(=O)CSC2=C(C#N)C(c3ccco3)CC(=O)N2)cc1,CID3152579,,,,,,,,,,,0.0,,,,,,
N#CC1=C(SCC(=O)Nc2ccccc2)NC(=O)CC1c1ccco1,CID2841219,,,,,,,,,,,0.0,,,0.0,,,
Cn1c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nnc1-c1ccccc1F,CID2490830,,,,,,,,,,,,,,0.0,,,
Cn1c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nnc1-c1ccc(F)cc1,CID2479580,,,,,,,,,,,,,,,0.0,,
Cn1cnc2cc(NC(=O)c3ccco3)ccc21,CID828706,,0.0,,,,,,,0.0,,,0.0,,,,,0.0
CCn1cnc2cc(NC(=O)c3ccco3)ccc21,CID828707,,,,,,,,,0.0,0.0,,0.0,,,,,
Cc1ccc(-c2nnn(CC(=O)N3CCCCC3)n2)c(-n2cnnn2)c1,CID649309,,,,,,,,,,,0.0,,,,,,
O=C(Cn1nnc(-c2ccccc2-n2cnnn2)n1)N1CCCCC1,CID656077,,,,,,,,,0.0,,0.0,,,,,,
CN(c1ccc(OCC(=O)N2CCCCC2)cc1)S(=O)(=O)c1cccs1,CID2355897,,,,,,0.0,0.0,,0.0,0.0,,,,,,,
CCOC(=O)C1CCN(C(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)CC1,CID2999650,,,,,0.0,,,,,,0.0,,,,,,
COc1ccc(C(=O)NNC(=O)Cn2nnc(-c3ccc(OC)c(OC)c3)n2)cc1,CID1164699,,,,,,,,,,,,,,,0.0,,
O=C(Cn1nnc(-c2ccccc2)n1)NNC(=O)c1ccccc1,CID855977,,,,,,,,,,,,,,,0.0,,
C=CCc1ccccc1OCCOc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1,CID2273058,,,,,,0.0,,,,,,,,,,,
CCN1C(=O)/C(=C\c2ccc(OCCOc3cccc(OC)c3)cc2)SC1=S,CID2272213,,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccccc1)N(Cc1ccc2c(c1)OCO2)Cc1nc(=O)c2ccccc2[nH]1,CID655990,0.0,0.0,0.0,,,,,,,,0.0,0.0,0.0,0.0,,,0.0
COc1ccccc1NC(=O)N(Cc1ccc2c(c1)OCO2)Cc1nc(=O)c2ccccc2[nH]1,CID646057,0.0,,,,,,,0.0,0.0,,0.0,0.0,,,0.0,,0.0
Cc1ccc(-c2nnc(CSc3nnc(COc4ccccc4)n3-c3ccccc3)o2)cc1,CID655991,0.0,,,,,,,,,,,,,,,,
Cc1ccc(-c2nnc(CSc3nnc(COc4ccccc4)n3-c3ccc(C)cc3)o2)cc1,CID651711,0.0,,,,,,0.0,,,,,,0.0,0.0,,,
CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc2c(c1)OCO2,CID655999,0.0,0.0,,,0.0,,,0.0,,,0.0,,,,,,
Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc2c(c1)OCO2,CID1071736,0.0,0.0,,,0.0,,,,0.0,,,,,,,0.0,
Cc1c(Cl)cccc1NC(=O)Nc1ccn(C)n1,CID1295552,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1ccc(NC(=O)Nc2ccn(C)n2)cc1,CID971878,,0.0,,0.0,,,0.0,0.0,0.0,,,0.0,0.0,,,,
CCN1CCN(c2ncnc3sc(C(=O)Nc4ccccc4F)c(C)c23)CC1,CID3238860,0.0,,,,0.0,,,,,0.0,,,0.0,,0.0,,
Cc1nc(N2CCN(C)CC2)c2c(C)c(C(=O)Nc3ccc(F)cc3)sc2n1,CID3241369,,0.0,,,0.0,,,0.0,,0.0,0.0,,,,,0.0,
CCN(CC)c1ccc2c(C)c(CN3CCOCC3)c(=O)oc2c1,CID648121,,,,,0.0,,0.0,,0.0,,,0.0,0.0,,,0.0,
CCNc1cc2oc(=O)c(CN3CCOCC3)c(C)c2cc1C,CID888356,0.0,0.0,,,,,0.0,,0.0,,,,0.0,,,,0.0
Cc1ccc(OCc2nnc(SCC(=O)C(C)(C)C)n2Cc2ccco2)cc1,CID664961,0.0,,,,0.0,0.0,,0.0,,,,,0.0,,,,0.0
Cc1cccc(OCc2nnc(SCC(=O)N(C(C)C)C(C)C)n2Cc2ccco2)c1C,CID652491,0.0,0.0,,0.0,,,,0.0,,0.0,,0.0,,,,0.0,0.0
CCOc1cc(/C=N/NC(=O)c2ccncc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1,CID1165524,,,,,,0.0,,,,,,0.0,,,,,
COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1,CID1113270,,,,,,,,,,,,0.0,,,0.0,,
CC(C)C(=O)O/N=C1\CCS(=O)(=O)c2sccc21,CID1480196,,,,,,,,,,,,,,,0.0,,
CC(C)(C)C(=O)O/N=C1\CCS(=O)(=O)c2sccc21,CID1480195,,,,,,,,,,,,,,0.0,,,
COc1ccc(/C=N/n2cc(-c3ccc(OC)cc3)nc2N)cc1,CID765297,0.0,,,,,,,,,,,,,,,0.0,
COc1ccc(/C=N/n2cc(-c3ccccc3)nc2N)cc1,CID765292,,,,,,,,0.0,,,0.0,,0.0,,,0.0,
COc1ccc(C(=O)NC2CCN(C(=S)Nc3cccc(C)c3C)CC2)cc1,CID3218725,,,,,,0.0,,,,,,0.0,,0.0,,,
COc1ccc(C(=O)NC2CCN(C(=S)Nc3cccc(C)c3)CC2)cc1,CID3218586,,,,,,0.0,,,,,,,,,,,
CCC(Sc1nc(=O)c(C#N)c(-c2ccccc2)[nH]1)C(=O)Nc1cc(C)on1,CID2915784,,,,0.0,0.0,,0.0,,,,0.0,,,,,,
Cc1cc(NC(=O)CSc2nc(=O)c(C#N)c(-c3ccccc3)[nH]2)no1,CID1081542,,0.0,0.0,0.0,,,0.0,,,,0.0,,0.0,,,,
CC(C)NC(=O)c1cc(-c2cccs2)on1,CID2745205,,,,,,,,,,0.0,,,,,,,
COCCNC(=O)c1cc(-c2cccs2)on1,CID4777443,,0.0,,,,,,0.0,,,,0.0,,,,,
COC(=O)c1ccc(=O)n(Cc2ccco2)c1,CID659194,,,,,,,0.0,,0.0,0.0,,,,0.0,,0.0,
COC(=O)c1cc(Br)c(=O)n(Cc2ccco2)c1,CID659203,0.0,,,,,,0.0,,,,0.0,0.0,,,,,
CCOC(=O)c1cccc(NC(=O)Cn2c(CC(=O)N3CCCC3)nc3ccccc32)c1,CID645491,0.0,,0.0,,,,0.0,0.0,0.0,,,0.0,,,,,
CC(=O)Nc1ccc(NC(=O)Cn2c(CC(=O)N3CCCC3)nc3ccccc32)cc1,CID654232,0.0,0.0,0.0,,,,,0.0,,,,,,,,,
CCn1c(SCC(=O)Nc2nc3c(s2)CCCC3)nc2c1c(=O)n(C)c(=O)n2C,CID645690,,0.0,,,,,0.0,,,,,,0.0,,,0.0,
CCCn1c(SCC(=O)Nc2nc3c(s2)CCCC3)nc2c1c(=O)n(C)c(=O)n2C,CID653676,,0.0,,,,0.0,0.0,,,,,,0.0,,,,
O=C(c1ccco1)N1CCN(c2ncnc3sc4c(c23)CCC4)CC1,CID645694,,,0.0,0.0,,,0.0,0.0,,,,,,,,,
Cc1nc(N2CCN(C(=O)c3ccco3)CC2)c2c3c(sc2n1)CCC3,CID985327,,0.0,,,,0.0,0.0,,,,,,,,,0.0,
O=C(CC1C(=O)NCCN1C(=O)Nc1ccccc1)Nc1cccc(C(F)(F)F)c1,CID2969879,0.0,,,,,,,,,,,,,,,,
COc1ccccc1NC(=O)CC1C(=O)NCCN1C(=O)Nc1ccc(Cl)c(Cl)c1,CID2955385,0.0,,,,,,0.0,,,,,,0.0,,,,
COc1ccc(/C=C2\SC(=O)N(CC(=O)NNC(=O)c3ccccc3O)C2=O)cc1,CID1557000,,,,,,,,,,,,,,0.0,,,
O=C(CN1C(=O)S/C(=C\c2ccccc2)C1=O)NNC(=O)c1ccccc1O,CID1381298,,,,,,,,,,,,,,0.0,,,
CCn1c2ccccc2c2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21,CID2276570,,,,,,,,,,,,0.0,,,,,
CCn1c2ccccc2c2cc(NC(=O)c3cc(OC)c(OC)c(OC)c3)ccc21,CID2183846,,,,,,,,,,,,0.0,,,,,
CCn1cc(C(=O)NCc2ccco2)c(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc21,CID3236790,,,0.0,,0.0,,,,,0.0,0.0,0.0,,,,0.0,0.0
CCn1cc(C(=O)NCc2ccco2)c(=O)c2cc(S(=O)(=O)N3CC(C)CC(C)C3)ccc21,CID3244444,,,,0.0,0.0,0.0,,,,,0.0,,,,,,
CC(C)(C)C1CCC(=O)C(C2(O)C(=O)Nc3ccccc32)C1,CID2942299,,,,,,,,,,0.0,,,0.0,,,,0.0
CC1CCCC(C2(O)C(=O)Nc3ccccc32)C1=O,CID2982568,0.0,,,0.0,,,,,,,,,0.0,,,0.0,0.0
CCn1ncc(C2=NOC(C(=O)NCC(C)C)C2)c1C,CID6623050,,,,,,,,,,0.0,,,,,,,
CCn1cc(C2=NOC(C(=O)O)C2)c(C)n1,CID3235716,,,,,,,0.0,,,,,,0.0,,,,0.0
O=C(NNS(=O)(=O)c1ccc(Br)cc1)c1ccncc1,CID1035441,,,,,,,,,,,,,,0.0,,,
O=C(NNS(=O)(=O)c1ccccc1)c1ccncc1,CID468603,,,,,,,,,,,,0.0,,,,,
CC(C)CN1C(=O)/C(=C/C2CC=CCC2)SC1=S,CID5349618,,,,,,0.0,,,,,,,,,,,
CCN1C(=O)/C(=C/C2CC=CCC2)SC1=S,CID5349640,,,,,,0.0,,,,,,,,,,,
COCCn1c(SC(C)C(=O)Nc2ccc3c(c2)OCCO3)nc2ccccc2c1=O,CID2999871,,,,,0.0,,0.0,,0.0,,,,0.0,,,,0.0
CC(C)Cn1c(SC(C)C(=O)Nc2ccc3c(c2)OCCO3)nc2ccccc2c1=O,CID2998683,,,,,0.0,0.0,,,,,,,,,,,
CCn1cc(C(=O)NCC2CCCO2)c(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc21,CID3244404,,,,,0.0,,,,,,,,,,,0.0,0.0
CCn1cc(C(=O)NCC2CCCO2)c(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc21,CID3238802,,,0.0,0.0,0.0,,,0.0,0.0,,0.0,,0.0,,,,
CCCS(=O)(=O)N1CCC(C(=O)NCc2cccnc2)CC1,CID3244406,,0.0,,0.0,,,,,,,,,,,0.0,0.0,
CCS(=O)(=O)N1CCC(C(=O)NCc2cccnc2)CC1,CID3240501,,,,0.0,,,,0.0,0.0,,,,,,,,
COc1cc(/C=N/NC(=O)Cn2nc([N+](=O)[O-])cc2C)cc(Br)c1OCc1ccccc1,CID1895305,,,,,,,,,0.0,,0.0,,,,,,
CCOc1cc(/C=N/NC(=O)Cn2nc([N+](=O)[O-])cc2C)cc(Br)c1OCc1ccccc1F,CID1423216,,,,,,,,,,,,0.0,,,,,
O=C(CSCc1ccccc1)Nc1ccc2c(c1)OCO2,CID815949,,,0.0,,0.0,,,,,,,,,,,,
O=C(CSCc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2,CID801548,,,,,,,,,,,0.0,,,0.0,,,
c1ccc(CNc2nc3ccccc3n3cnnc23)cc1,CID1473341,,,,,,0.0,,,,,,0.0,,,,,
Cc1ccc(CNc2nc3ccccc3n3cnnc23)cc1,CID11957203,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C(=O)C(C)OC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)cc1,CID2920683,,,,,,,,,,,,0.0,,,0.0,,
O=C(COC(=O)c1cc2ccccc2oc1=O)c1cccc([N+](=O)[O-])c1,CID1099676,,,,,,,,,,,,,,,0.0,,
CC(=O)c1sc2nc(-c3cccs3)cc(C(F)(F)F)c2c1N,CID661810,,,,,0.0,,,,,,,,,,,,0.0
CC(=O)c1sc2nc(-c3cccs3)ccc2c1N,CID777010,,,,,,,,,,0.0,,,,,,,
COc1ccccc1CNCC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1,CID1487201,,,,,,,,,,,,0.0,,,,,
OC(CNCc1ccc(F)cc1)(c1ccccc1)c1ccc(F)cc1,CID3845000,,,,,,,,,,,,0.0,,,,,
COc1ccc(C2OCC3(CO2)CSc2ccccc2C3=O)cc1,CID1486155,,,,,,,,,0.0,,,,,,0.0,,
O=C1c2ccccc2SCC12COC(c1ccccc1)OC2,CID1478543,,,,,,,,,0.0,,,,,0.0,,,
CCOC(=O)C1CCCN(C(=O)c2sc3nc(C)nc(N(CC)CC)c3c2C)C1,CID4983699,,,,,,,,,,,,,,,0.0,,
CCC1CCCCN1C(=O)c1sc2ncnc(N(CC)CC)c2c1C,CID3280283,,,,,,,,,,,,,,,0.0,,
c1ccc(-c2nnc(N3CCN(c4ccccn4)CC3)c3ccccc23)cc1,CID2953439,,,,,,,,,,,,,,,,0.0,
Cc1ccc(-c2nnc(N3CCN(c4ccccn4)CC3)c3ccccc23)cc1,CID2951746,,,,,,,,,,,,,0.0,,,,
CCc1cc(C(=O)N2CCc3c([nH]c4ccccc34)C2c2ccc(OC)cc2F)no1,CID16191777,,,,,,,,,,,,,,,0.0,,
Cc1cc(C(=O)N2CCc3c([nH]c4ccccc34)C2c2c(F)cccc2Cl)no1,CID16187352,,,,,,,,,,,,,,0.0,,,
CCn1cc(C(=O)NCc2ccc(OC)cc2OC)c(=O)c2ccc(C)nc21,CID652561,,,0.0,0.0,0.0,,,0.0,,,0.0,,,,,,
CCn1cc(C(=O)NCc2ccccc2OC)c(=O)c2ccc(C)nc21,CID652839,,0.0,,,0.0,,,,,,,,,,,,
COc1ccc(N2CCN(CC(=O)N3CCC(C)CC3)CC2)cc1,CID652566,0.0,,,,,,,,,,,,0.0,,0.0,,
NC(=O)C1CCN(C(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1,CID666170,,,,,,,,,,,,,,,,,0.0
O=C(CSc1nnc(-c2ccc(Br)cc2)o1)Nc1cccc2ccccc12,CID2191947,0.0,,,,,,0.0,,,,0.0,,,,,0.0,
O=C(CSc1nnc(-c2ccccc2Br)o1)Nc1cccc2ccccc12,CID646793,0.0,,,,,,,,,,,,,,,0.0,0.0
COc1ccc2nc(Nc3nc(=O)cc(CSc4ccc(C)cc4)[nH]3)nc(C)c2c1,CID1323579,,,,,,,,,,,,,,,0.0,,
Cc1ccc(SCc2cc(=O)nc(Nc3nc(C)c4cccc(C)c4n3)[nH]2)cc1,CID1388417,,,,,,0.0,,,,,,,,,,,
CCOC1=C/C(=C/c2c(C)[nH]oc2=O)C=CC1=O,CID5345171,,,,,,0.0,,,,,,,,,,,
Cc1[nH]oc(=O)c1C=C1C=CC(=O)C=C1,CID5397103,,,,,,,,,,,,,,,0.0,,
CC(C)n1c(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)cc2sccc21,CID655031,,,0.0,,,,,,,,,,,,,,
CC(OC(=O)c1cc2sccc2n1C)C(=O)NCc1ccc2c(c1)OCO2,CID645526,,,0.0,0.0,,,,0.0,,,,,,,,,
CC1CN(CCC(=O)Nc2ccc3c(c2)CCC3)CC(C)O1,CID655030,,,0.0,,,0.0,,,,,,,,,,,0.0
O=C(CCN1CCOCC1)Nc1ccc2c(c1)CCC2,CID771697,,0.0,,0.0,,,0.0,,,,,0.0,,,,,
O=C1c2ccccc2C(=O)N1CC1c2ccccc2CCN1C(=O)C1CCCCC1,CID2851823,,,,,,,,,0.0,,0.0,,,,,,
O=C(O)C1CCCCC1C(=O)N1CCc2ccccc2C1CN1C(=O)c2ccccc2C1=O,CID665797,,,0.0,,,,,,,,,,0.0,,,,
O=C(O)c1ccc(CSc2nnc(-c3ccncc3)n2CC2CCCO2)cc1,CID646284,,,,,,,,0.0,,,,,,,,0.0,
Cc1ccc(CSc2nnc(-c3ccncc3)n2CC2CCCO2)cc1,CID3168398,,,,,,0.0,,,,,,,,,,,
CC1CN(c2nn3c(=O)c4ccccc4nc3c3ccccc23)CC(C)O1,CID2998099,,0.0,,,,,,0.0,,,,,0.0,,,,
O=c1c2ccccc2nc2c3ccccc3c(N3CCOCC3)nn12,CID727733,,0.0,0.0,,,,,,,,,,0.0,,,,
Cc1ccccc1/C=C1\CCCc2ccccc2C1=O,CID1211993,,,,,,,,,,,0.0,0.0,,,,,
O=C1/C(=C/c2ccccc2)CCCc2ccccc21,CID1550522,,,,,,,,,,,0.0,,,,,,
Cc1cccn2c(=O)c3cc(C(=O)N4CCc5ccccc5C4)n(C)c3nc12,CID3243457,,,0.0,,,,,,,0.0,,,,,,,
Cn1c(C(=O)N2CCc3ccccc3C2)cc2c(=O)n3ccccc3nc21,CID3245891,,0.0,,,,,,,,,,0.0,,,,,
Cn1c(C(=O)NCc2ccco2)cc2c(=O)[nH]c3ccccc3c21,CID3243455,0.0,,,,,,,,,,,,,,,,
Cc1ccc(CNC(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)o1,CID5309758,,,,,,0.0,,,,,,,,,,,
O=C(Cn1cccc1C(=O)c1ccccc1)NCCCN1CCOCC1,CID3238127,,,0.0,,,,,,,,,,0.0,,,,
CC(C(=O)NCCCN1CCOCC1)n1cccc1C(=O)c1ccccc1,CID3245784,,,,0.0,,,0.0,,,,,,,,0.0,0.0,
CCOC(=O)C1=C(C)NC(SC(C)=O)=NC1c1ccc(OC(C)=O)c(OC)c1,CID3243459,,,,,,,,0.0,,,,,,,,,0.0
CCOC(=O)C1=C(C)NC(SCC(=O)O)=NC1c1ccccc1,CID657851,,,,0.0,0.0,0.0,0.0,0.0,,,,,,,,0.0,
COc1ccc(CSc2nc(N3CCOCC3)c3c(c2C#N)CC(C)(C)OC3)cc1,CID655811,,,,,,,,,,0.0,0.0,,0.0,,,,
CC1(C)Cc2c(C#N)c(SCc3ccccc3)nc(N3CCOCC3)c2CO1,CID2876514,,,,,,,,,,0.0,,,,,,,0.0
COc1ccccc1-n1cnnc1SCC(=O)c1cc(C)n(Cc2cccs2)c1C,CID2161508,0.0,,,,,0.0,,,,0.0,0.0,,,,,,
COc1ccc(-n2cnnc2SCC(=O)c2cc(C)n(Cc3cccs3)c2C)cc1,CID2091869,0.0,0.0,,,,0.0,0.0,,,0.0,,0.0,0.0,0.0,,,
O=C1c2cccc3cccc(c23)C(=O)N1Cc1ccccc1,CID267579,,,,,,,,,,,,,,0.0,,,
O=C(O)C(c1ccccc1)N1C(=O)c2cccc3cccc(c23)C1=O,CID2878774,,,,,,0.0,,,,,,,,,,,
Cc1c(O)n(-c2ccccc2)c(-c2cccs2)cc1=O,CID825172,,,,,,,,,,,,,,0.0,,,
CCc1c(O)n(-c2ccc(Cl)cc2)c(-c2cccs2)cc1=O,CID1042757,,,,,,,,,,0.0,,,,,,,
Cc1ccc2nc(-c3sc4nc(C)cc(C)c4c3N)[nH]c2c1,CID845804,,,,,,,,,0.0,,,,,,,,
Cc1ccc2nc(-c3sc4nc(C)ccc4c3N)[nH]c2c1,CID845805,,,,,,,,,,0.0,0.0,,,,,,
COc1ccc(Cc2nnc(NC(=O)c3c(-c4ccccc4)noc3C)s2)cc1OC,CID1086922,0.0,,0.0,,,,,,,,,,,,,,
COc1ccc(Cc2nnc(NC(=O)c3c(-c4ccccc4)noc3C)s2)cc1,CID1320138,,,,,0.0,,0.0,0.0,,,,,,,,,
O=C(CCc1nc(-c2ccccc2F)no1)NC1CCN(Cc2ccccc2)CC1,CID3236345,0.0,,0.0,,,,,,,,,0.0,,,,,0.0
Cc1ccc(-c2noc(CCC(=O)NC3CCN(Cc4ccccc4)CC3)n2)cc1,CID3244370,0.0,0.0,,,,,,0.0,,,,,,,,0.0,
Cc1cccc(-n2nnc(C(=O)NCc3ccc4c(c3)OCO4)c2N)c1,CID3236349,,,,,,,,0.0,,0.0,,,0.0,,,0.0,
Cc1cc(C)cc(-n2nnc(C(=O)NCc3ccc4c(c3)OCO4)c2N)c1,CID3236908,,,,,,,0.0,0.0,,,0.0,0.0,0.0,,,,0.0
Cc1ccc(-n2nc3c(c2NC(=O)c2ccc4c(c2)OCO4)CSC3)cc1,CID3237034,,0.0,,,0.0,,,,,,,,,,,,0.0
Cc1ccc(-n2nc3c(c2NC(=O)c2ccc4c(c2)OCO4)CSC3)c(C)c1,CID3236291,,,0.0,,0.0,,,,,,,,,,,,0.0
COc1cc(C2C(C#N)=C(N)N(c3cccnc3)C3=C2C(=O)CC(C)(C)C3)ccc1O,CID3157948,,,,,,,,,0.0,,0.0,,,,,,
CCOc1ccc(OCC)c(C2C(C#N)=C(N)N(c3cccnc3)C3=C2C(=O)CC(C)(C)C3)c1,CID2949930,,,,,,,,,,,,,,,,0.0,0.0
COc1ccccc1-n1c(SCC(=O)N2CCOCC2)nc(=O)c(Cc2ccccc2)c1O,CID658944,0.0,,,,0.0,,,,,,,,,,0.0,,
COc1ccc(-n2c(SCC(=O)N3CCOCC3)nc(=O)c(Cc3ccccc3)c2O)cc1,CID1360710,,,,,,,,,,,,,,,0.0,,
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc(OC(=O)c2cccs2)c1,CID2266898,,,,,,,,,,0.0,,,,,,,
O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cccc(OC(=O)c2cccs2)c1,CID1016780,,,,,,,,,,0.0,,,,,,,
Cc1cc(C)cc(OCC(=O)Nc2cccc(-c3nnc(-c4ccco4)o3)c2)c1,CID2227136,,,,0.0,,,,,0.0,0.0,0.0,0.0,,0.0,,,0.0
COc1ccccc1OCC(=O)Nc1cccc(-c2nnc(-c3ccco3)o2)c1,CID1293585,,,,,,,,,,,,,,0.0,,,
N#C/C(=C/c1ccc(N2CCCCCC2)o1)c1cccc(F)c1,CID2227134,,,,,,,,,0.0,,,,,,,,
N#C/C(=C/c1ccc(N2CCCCCC2)o1)c1ccc(F)cc1,CID5740802,,,,0.0,,,,,,,,,,,,,
CCOc1cc(CNc2ccc3cn[nH]c3c2)ccc1OC,CID784380,,,,,,0.0,,,,,0.0,,,,,,
COc1ccc(CNc2ccc3cn[nH]c3c2)c(OC)c1OC,CID784352,,,,,,,,,,,,0.0,0.0,,,,
Cc1ccc(NC(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)cc1,CID645173,,,0.0,,,,,0.0,,,0.0,0.0,,,,,
Cc1ccc(NC(=O)N2CCC(C(=O)NCc3ccccc3)CC2)cc1,CID654652,0.0,0.0,0.0,,,,,0.0,,,0.0,0.0,,,,,
CN(C)c1nc2n(c(=S)n1)CCS2,CID658365,,,,,,,0.0,,,,,,,,,,
CCN(CC)c1nc2n(c(=S)n1)CCS2,CID650908,,,,,,,,,,,,,0.0,,,,
Cc1cc(N2CCN(c3ccccc3)CC2)n2nnnc2n1,CID3244398,,,,,0.0,,,,,,,,0.0,0.0,,0.0,
Cc1ccc(C)c(N2CCN(c3cc(C)nc4nnnn34)CC2)c1,CID3240198,,0.0,,0.0,0.0,,0.0,,,,,,,,,,
O=C(Nc1cnccn1)Nc1ccc(Cl)cc1Cl,CID4231007,,,,,,,,,,,,,,,0.0,,
COC(=O)c1ccccc1NC(=O)Nc1cnccn1,CID970559,,0.0,,0.0,,,0.0,0.0,0.0,,,0.0,0.0,,0.0,,
C=CCn1c(=O)c2c(C)c(C)sc2n2c(Nc3ccc(OC)cc3)nnc12,CID1178243,0.0,,0.0,,,,,,,,,,,,,,
C=CCn1c(=O)c2c(C)c(C)sc2n2c(Nc3ccccc3)nnc12,CID1180112,,0.0,0.0,,0.0,,0.0,,,,0.0,,0.0,,,0.0,
O=C(CSc1nnc(CNc2ccc(F)cc2)n1Cc1ccccc1)NCc1ccco1,CID650429,0.0,,,,,,,,,,,,,,,,
O=C(CSc1nnc(CNc2ccc(Cl)cc2)n1Cc1ccccc1)NCc1ccco1,CID650222,0.0,0.0,,,0.0,,,,,,,,,,,,0.0
Cc1cc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)no1,CID2329950,,,0.0,,,,0.0,0.0,,,,,0.0,0.0,0.0,,0.0
Cc1cc(C)c2nc(-c3ccccn3)cc(C(=O)Nc3cc(C)on3)c2c1,CID1261395,0.0,,,,,,0.0,0.0,0.0,,0.0,,0.0,,0.0,,
COC(=O)c1ccc(-c2nc(=O)c3c[nH]ccn2-3)cc1,CID2094121,,0.0,,0.0,,,,,0.0,0.0,,,0.0,,0.0,,
COc1ccc(-c2nc(=O)c3c[nH]ccn2-3)cc1,CID2094118,,,,,,,,,,,,,,,0.0,,
CC(=O)Oc1ccc(/C=C2\N=C(C3CCCCC3)OC2=O)cc1,CID867110,,,,,,,,,,,,,,0.0,,,
COc1cc(/C=C2/N=C(C3CCCCC3)OC2=O)cc(OC)c1OC,CID5953249,,,,,,,,,,,,,,0.0,,,
O=C(c1cccnc1)N1CCCc2ccccc21,CID743438,,0.0,,,,,,0.0,0.0,0.0,,,0.0,,,0.0,0.0
O=C(c1cncc(Br)c1)N1CCCc2ccccc21,CID659855,0.0,,,,,,0.0,,0.0,,,0.0,,,,,0.0
COc1cc(/C(C)=N/N2CCOCC2)cc(OC)c1OC,CID4456982,,,,,,,,,,,,,,,0.0,,
CCN(CC)c1ccc(/C=N/N2CCOCC2)cc1,CID785679,,,,,,,,,,,,,,,0.0,,
CC(C)COC(=O)C1C(=O)CC(C)(O)C(C(=O)OCC(C)C)C1c1cccnc1,CID3237578,,,,,,,,,,,0.0,,,,,,0.0
CC(C)OC(=O)C1C(=O)CC(C)(O)C(C(=O)OC(C)C)C1c1cccnc1,CID651084,,,,,,,,,,,0.0,,,,0.0,,
Cc1ccc(/C(COc2ccccc2O)=N/O)cc1,CID3000137,,0.0,,,,,0.0,0.0,,,,,,,,0.0,0.0
O/N=C(/COc1ccccc1O)c1ccccc1,CID2999648,,,,,,,0.0,0.0,,,,,0.0,,,,
Cc1cc(C)cc(C(=O)N(NC(=O)Nc2ccc(Cl)cc2)C(C)(C)C)c1,CID989653,,,,,,0.0,,,,,,,,,,,
CC(C)(C)N(NC(=O)Nc1ccccc1)C(=O)c1ccccc1Cl,CID682785,,,,,,,,,,,,,,,0.0,,
Cc1cccc(OCC(=O)NNC(=O)c2cc3ccccc3oc2=O)c1,CID996186,,,,,,,,,,,,0.0,,,,,
Cc1cc(C)cc(OCC(=O)NNC(=O)c2cc3ccccc3oc2=O)c1,CID1050674,,,,,,0.0,,,,,,0.0,,,,,
CC12CN3CC(C)(CN(C1)C31CCOCC1)C2=O,CID753293,,,,,,,,,,0.0,,,,,,,
CC1(C)CC2(CCO1)N1CC3(C)CN2CC(C)(C1)C3=O,CID818050,,,,,,,,,,,0.0,,,,,,
Cc1ccc(-n2c(SCC(=O)NCc3ccco3)nnc2-c2cccnc2)c(C)c1,CID2084543,0.0,,0.0,,,,,,,,,,,,,0.0,
Cc1ccc(-n2c(SCC(=O)NCc3ccco3)nnc2-c2cccnc2)cc1,CID1168996,,,,,,,,,,,0.0,,,,,,
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1nc2ccccc2[nH]1,CID2841644,,,,,,,,,0.0,,0.0,,,,,0.0,
Cc1cc2c(cc1C)NC(c1nc3ccccc3[nH]1)C1=C(CC(C)(C)CC1=O)N2,CID3152931,,,,,,0.0,,,0.0,0.0,,,,,,,
Cc1noc(NS(=O)(=O)c2ccc(N/C=C\C(=O)c3ccncc3)cc2)c1C,CID5730619,,,,,,,,,0.0,,,,,,,,
Cc1noc(NS(=O)(=O)c2ccc(N/C=C/C(=O)c3ccncc3)cc2)c1C,CID2298970,,,,,,,,,,0.0,0.0,,,,,,
Cc1ccc(CN(c2ccc(C(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1,CID1315050,,,,,,0.0,0.0,,,0.0,0.0,,0.0,,,0.0,0.0
CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N2CCOCC2)cc1,CID1106269,,0.0,,,,,,0.0,0.0,,,,,,,0.0,
O=C(OCc1cc2ccccc2[nH]c1=O)c1cccnc1,CID663730,,,,,,,,,0.0,0.0,0.0,0.0,,,0.0,,
Cc1cccc2cc(COC(=O)c3cccnc3)c(=O)[nH]c12,CID665233,,0.0,0.0,,0.0,0.0,,0.0,0.0,,0.0,,,0.0,,,
CN1C(=O)C2(C(C#N)=C(N)Oc3n[nH]c(-c4ccc(Cl)cc4)c32)c2ccccc21,CID663732,0.0,0.0,,,0.0,,0.0,,,,,,,,,0.0,
N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2C12C(=O)Nc1ccccc12,CID646066,,,0.0,,,,,,,0.0,,,,,,,
Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1,CID2394306,0.0,,,,,,,,,,0.0,,,0.0,,,
Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1,CID2117110,,,,,,,,,,,0.0,0.0,0.0,,,,
Cc1ccc(OC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c(-n2nc3ccccc3n2)c1,CID1262701,,,,,,0.0,,,,,,,,,,,
Cc1ccc(OC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c(-n2nc3ccccc3n2)c1,CID1217157,,,,,,,,,,,,0.0,,,,,
COc1cccc(C2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2cc(C)on2)c1OC,CID661999,,,,,,0.0,0.0,,,,,,0.0,,,,
COc1ccc(OC)c(C2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2cc(C)on2)c1,CID661828,,,,,,,0.0,,0.0,,,,,,,,
COc1cc(C2C(C#N)=C(N)Oc3cc(C)n(CCc4ccccc4)c(=O)c32)cc2c1OCO2,CID661991,0.0,,,0.0,,,,,,,0.0,,,,,,
COc1ccc(CCn2c(C)cc3c(c2=O)C(c2ccc4c(c2)OCO4)C(C#N)=C(N)O3)cc1OC,CID665921,0.0,,,,,,,,,,,,,,,,0.0
Cn1c(=O)c2c(nc(Br)n2CCSc2nc3ccccc3o2)n(C)c1=O,CID661996,0.0,,,,,,,,0.0,,,,,,,,0.0
Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2CCSc1nc2ccccc2o1,CID662941,0.0,,,,,,,,0.0,,,,,,0.0,0.0,0.0
O=C1CCC(=O)N1CN(C(=O)c1ccco1)c1ccccc1,CID661994,,0.0,0.0,,,,0.0,0.0,,,,,,,0.0,,
O=C1CCC(=O)N1CN(C(=O)c1ccco1)c1ccc(Cl)c(Cl)c1,CID661913,0.0,,,,,,,,,,,,,,,,
Cc1noc(C)c1S(=O)(=O)N(CC(=O)N1CCn2c1nc1ccccc12)c1ccc(C(C)C)cc1,CID5309805,0.0,,,,,0.0,0.0,0.0,,,0.0,,0.0,,,,
Cc1cc(C)cc(N(CC(=O)N2CCn3c2nc2ccccc23)S(=O)(=O)c2c(C)noc2C)c1,CID5309275,0.0,,,,,,,,,,,,,,0.0,0.0,
O=[N+]([O-])c1ccc(Cl)cc1NCCCN1CCOCC1,CID4562974,,,,,,,,,,,,,,,0.0,,
O=[N+]([O-])c1ccc(NCCCN2CCOCC2)c(Cl)c1,CID2870846,,,,,,0.0,,,,,,,,,0.0,,
COc1ccc(OCC(O)CNc2ccc(Br)cc2)cc1,CID2943575,0.0,,,,,,,,,,,0.0,,,,0.0,0.0
CCOC(=O)c1ccc(NCC(O)COc2ccccc2)cc1,CID660209,0.0,,0.0,0.0,,,0.0,0.0,,,,,,,,,0.0
CC(Sc1n[nH]c(=O)[nH]c1=O)C(=O)OCc1ccccc1,CID2867240,,,,0.0,,,,0.0,0.0,,,0.0,,,,0.0,
CCC(Sc1n[nH]c(=O)[nH]c1=O)C(=O)OCc1ccccc1,CID3138582,,,,,,,,,0.0,,,0.0,,,,,
Cc1ccc2c(C)nc(Nc3nc(=O)cc(CSc4nnnn4-c4ccccc4)[nH]3)nc2c1,CID664240,,,,,0.0,,,,,0.0,,,0.0,,,,
CCOc1ccc2nc(Nc3nc(=O)cc(CSc4nnnn4-c4ccccc4)[nH]3)nc(C)c2c1,CID1613621,,,,,,,,,,0.0,,,,,,,
C=CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)NCCN1CCOCC1,CID2906619,,0.0,,,0.0,,,,,,,,,,,,
Cn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)NCCN1CCOCC1,CID2920044,,0.0,,,0.0,,,,,,,,,,,,
Cc1cnc(-c2nnc(N(C)C(=O)c3cccnc3)s2)cn1,CID649408,,,,0.0,0.0,,,,,,,,0.0,,,,
CN(C(=O)c1cccnc1)c1nnc(-c2cnccn2)s1,CID647870,,,,,0.0,,,,,,,,0.0,,,,
CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)ccc21,CID3239505,,,0.0,,0.0,0.0,,,,,,,,,,,0.0
CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)ccc21,CID3238674,,,,,0.0,,,0.0,,,,,,,,,0.0
Fc1cnc(N2CCOCC2)nc1NCc1ccccc1,CID660212,,0.0,,,,,,0.0,,,,,,,,,
Cc1cc(NCc2ccccc2)nc(N2CCOCC2)n1,CID697249,,,,,,0.0,,,,,,,,,,,
O=C(NCc1ccccc1)C1CCCN(C(=O)Nc2ccccc2)C1,CID651395,0.0,0.0,0.0,0.0,,,,0.0,,,0.0,0.0,,,,,0.0
O=C(NCc1ccc(F)cc1)C1CCCN(C(=O)Nc2ccccc2)C1,CID650196,,,,,,,,0.0,,,,,,,,,
COc1cc(OC)c(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1OC,CID1246444,,,0.0,,,,0.0,0.0,0.0,,,,,,,,
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1OC,CID1048934,,,,,,,,,0.0,,,,,,,,
Cc1ccc(C(=O)Nc2nnc(C3CCCCC3)s2)o1,CID1246448,,,,,,,,,,0.0,,,,,,,
O=C(Nc1nnc(C2CCCCC2)s1)c1ccco1,CID665745,0.0,0.0,,0.0,0.0,0.0,,,,,,0.0,,,,0.0,
O=C(Cc1ccccc1)Nc1ccc(NC(=O)c2ccco2)nc1,CID652282,,,,0.0,,,,,,,0.0,0.0,0.0,,,,
Cc1cc(NC(=O)c2ccco2)ncc1NC(=O)Cc1ccccc1,CID649833,,0.0,0.0,,,,,,0.0,,0.0,,,,0.0,,
C=CCn1c(SCC(=O)NC(=O)NCc2ccco2)nc2sc(CC)cc2c1=O,CID2514549,0.0,0.0,0.0,,0.0,0.0,0.0,,,,,,,,,0.0,
C=CCn1c(SCC(=O)NC(=O)NCc2ccco2)nc2sc(C)c(C)c2c1=O,CID2999893,,0.0,,,,0.0,,,0.0,0.0,0.0,,,,,,
CCOc1ccccc1-c1nn2c(Cc3ccccc3)nnc2s1,CID2227035,,,,,0.0,,0.0,,,,,,,0.0,0.0,0.0,
COc1cc(-c2nn3c(Cc4ccccc4)nnc3s2)cc(OC)c1OC,CID989941,,,,,,,0.0,0.0,,,,,,,,,0.0
Cn1ccnc1C(O)c1ccc(OCc2ccccc2)cc1,CID659565,,,,,,,,0.0,,,,,,,,,
COc1cc(C(O)c2nccn2C)ccc1OCc1ccccc1,CID3140474,,,,,,0.0,,,,,,,,,,,
CCc1ccc(CC(=S)N2CCOCC2)cc1,CID270304,,,,,,,,,,,,,,,0.0,,
COc1ccc(CC(=S)N2CCOCC2)cc1OC,CID766352,,,,,,,,,,,,,,0.0,,,
O=c1c2[nH]c3ccccc3c2ncn1Cc1ccncc1,CID658615,,,,0.0,,,0.0,0.0,,,,,0.0,0.0,,,
O=c1c2[nH]c3cccc(Cl)c3c2ncn1Cc1ccncc1,CID665628,0.0,0.0,,0.0,,,,,,0.0,0.0,,,,0.0,0.0,
COc1ccc(CNC(=O)CSc2ncnc3nc[nH]c23)cc1,CID655392,,,,,,0.0,,,,0.0,,0.0,0.0,,,0.0,
CC(NC(=O)CSc1ncnc2nc[nH]c12)c1ccccc1,CID2920647,,,,,,,,,,,0.0,,0.0,,,,
COc1ccc(S(=O)(=O)NC(CC(=O)NCC2CCCO2)c2ccco2)cc1,CID3238295,,,,,0.0,,,,0.0,,,,,,,,
Cc1ccc(S(=O)(=O)NC(CC(=O)NCC2CCCO2)c2ccco2)cc1,CID3245174,,0.0,,,0.0,,,0.0,,,,,0.0,,,,
Cc1ccc(C)c(NC(=O)C2C3CCCC2C3c2ccccc2)c1,CID3114044,,,,,,0.0,,,,,,,,,,,
Cc1ccc(NC(=O)C2C3CCCC2C3c2ccccc2)cc1C,CID2893058,,,,,,0.0,,,,,,,,,,,
CCc1ccc(Nc2nnc(SCC(=O)NCCN3C(=O)CSC3=O)s2)cc1,CID2438178,,,,,,,,,,,,,,,0.0,,
Cc1ccc(Nc2nnc(SCC(=O)NCCN3C(=O)CSC3=O)s2)cc1C,CID2089929,,,,,,,,,,,,,,,0.0,,
Cc1noc(C)c1CSc1nnc2scc(-c3ccc(Cl)cc3)n12,CID1279864,,0.0,,,0.0,,,,0.0,,,,,0.0,,,
Cc1noc(C)c1CSc1nnc2scc(-c3ccccc3)n12,CID755924,0.0,,,,,,,,,0.0,0.0,,,0.0,,,
C(=N/c1nccs1)\Nc1nccs1,CID2140730,,,,,,,,,,,,,0.0,,,,0.0
CCOC(=O)c1sc(/N=C/Nc2nc(C)c(C(=O)OCC)s2)nc1C,CID2377032,0.0,0.0,,,,,0.0,,0.0,0.0,,,0.0,0.0,,,
CN1C(=O)/C(=C\c2ccc(-c3ccccc3)o2)SC1=S,CID2140739,,,,,,,,,,,,,,0.0,,,
CCN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)OC)cc3)o2)SC1=S,CID1968221,,,,,,0.0,,,,,,,,,,,
COc1cccc(/C(O)=C2/C(=O)C(=O)N(Cc3ccco3)C2c2ccncc2)c1,CID6398930,,0.0,,,,,,,,,,,,,,,
CCOc1cccc(/C(O)=C2/C(=O)C(=O)N(Cc3ccco3)C2c2ccncc2)c1,CID6398932,,,,,,,,0.0,,,,,0.0,,,,
CCc1nnc(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N(CC)CC)cc3)n2CC)s1,CID3184601,,,,,,,,,,,,,,0.0,,,
CCc1nnc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2C)s1,CID646594,,,,0.0,,,0.0,,0.0,,,,,,,0.0,
COc1ccc(N2C(=O)NC(=O)/C(=C(/C)NCCN3CCNCC3)C2=O)cc1,CID5389513,0.0,,,,,,,,,,,0.0,,,,,
CCOc1ccc(N2C(=O)NC(=O)/C(=C\NCCN3CCNCC3)C2=O)cc1,CID5389200,,,,0.0,,,,,,,,,,,0.0,,
COc1ccc(-c2cc(C(=O)n3cnc4ccccc43)c3ccccc3n2)cc1,CID1221201,,,,,,,,,,,,0.0,,,,,
Cc1ccc(-c2cc(C(=O)n3cnc4ccccc43)c3ccccc3n2)cc1C,CID1010824,,,,,,0.0,,,,,,0.0,,,,,
CCOC(=O)c1cc2n(c1N)-c1ccccc1C2=O,CID611015,,,,,,,0.0,,,,,,0.0,,,0.0,
CCOC(=O)c1cc2n(c1C)-c1ccccc1C2=O,CID3235660,,,,,,,,0.0,0.0,0.0,,,,,,,
Cc1ccc(OC(=O)COc2ccccc2)c(-n2nc3ccccc3n2)c1,CID1217265,,,,,,0.0,,,0.0,0.0,0.0,0.0,,0.0,,,
Cc1ccc(OC(=O)COc2ccccc2C)c(-n2nc3ccccc3n2)c1,CID1548530,,,,,,,,,0.0,,,0.0,,,,,
Cc1cc(C)c2c(N)c(C(=O)N3CCN(c4ncccn4)CC3)sc2n1,CID659974,,0.0,,0.0,,,,,,,0.0,,,,,0.0,
Cc1cc(C)c2c(/N=C/N(C)C)c(C(=O)N3CCN(c4ncccn4)CC3)sc2n1,CID660110,,,0.0,,0.0,,,,,0.0,,,0.0,,0.0,,
Cc1ccc(S(=O)(=O)CC(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1,CID1987299,,,,,0.0,,,,,,0.0,,,,,,
Cc1noc(NS(=O)(=O)c2ccc(NC(=O)CS(=O)(=O)c3ccccc3)cc2)c1C,CID1825600,,,,,0.0,,,,,,,,,,0.0,,
CC1CC(C)CN(c2oc(-c3ccco3)nc2C#N)C1,CID2963490,,,0.0,,,,,,,,0.0,,,0.0,,,
N#Cc1nc(-c2ccco2)oc1N1CCC(C(N)=O)CC1,CID664140,,,0.0,,,,,,,,,0.0,,,0.0,,
CCCCN1CC(C(=O)NC2CCCCC2)CC1=O,CID3245728,,,,0.0,0.0,,,0.0,,,,,,,,,
CCC(C)N1CC(C(=O)NC2CCCCC2)CC1=O,CID3239387,,0.0,,,,,0.0,,,0.0,0.0,,,,,0.0,0.0
CCn1c(=O)cc(SCC(=O)N2CCN(c3ccccn3)CC2)c2ccccc21,CID3245726,0.0,,,,,,,0.0,,,,,,,,,
Cn1c(=O)cc(SCC(=O)N2CCN(c3ccccn3)CC2)c2ccccc21,CID3236276,0.0,,,,,,,0.0,,,,,,,,0.0,0.0
CCOC(=O)Cc1csc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)n1,CID2229216,,,,,,,,,0.0,,,,,,,,
O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1nccs1,CID719768,,,,,,,,,0.0,,0.0,0.0,,,,,
COc1cccc(C2CC(C(F)(F)F)N3NC=C(C(=O)NCC4CCCO4)C3=N2)c1,CID5767069,,,,,,,,,,,,0.0,,,,,
COc1ccc(C2CC(C(F)(F)F)N3NC=C(C(=O)NCC4CCCO4)C3=N2)cc1OC,CID5389171,,,,,,,0.0,,,,,,,,,,
O=C1C=CC(Br)=C/C1=C\NN1CCN(Cc2ccccc2)CC1,CID5508046,,,,,,,,,,,,0.0,,,,,
C/C(NN1CCN(Cc2ccccc2Cl)CC1)=C1\C=CC=CC1=O,CID5347627,,,,,,0.0,,,,,,,,,,,
CCOC(=O)C(C#N)C(c1cccnc1)c1c(C)[nH][nH]c1=O,CID645454,,0.0,,0.0,,,,0.0,0.0,,,,0.0,,,,
COC(=O)C(C#N)C(c1cccnc1)c1c(C)[nH][nH]c1=O,CID2962035,,0.0,0.0,0.0,,,0.0,0.0,,0.0,,,,,,0.0,
CCOC(=O)c1cnc2sccn2c1=O,CID838816,,0.0,,,,,,,,,,0.0,,,,,
Cc1nc2sccn2c(=O)c1Br,CID1417404,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(N2C(=O)CSC2c2ccncc2)cc1,CID3240600,0.0,0.0,,0.0,,,,,,,,,0.0,,,,
COc1ccc(N2C(=O)CSC2c2ccncc2)cc1,CID3242569,0.0,0.0,,,,,,,,,,,,,,,
CCOC(=O)c1sc(=S)n2c1[nH]c(=O)c1ccc(C(=O)OC)cc12,CID3240606,,,,,,0.0,,,,,0.0,,0.0,,,,
CCCCNC(=O)c1sc(=S)n2c1[nH]c(=O)c1ccccc12,CID3240009,0.0,,0.0,,,,,,,0.0,0.0,,,,,,
COc1cccc(NC(=O)CSCc2nc(=O)[nH][nH]2)c1,CID894937,,,,0.0,,,,,,0.0,,0.0,0.0,,,,
CCCCOC(=O)c1ccc(NC(=O)CSCc2nc(=O)[nH][nH]2)cc1,CID2174342,,,,,,0.0,,,,,0.0,,,,,0.0,
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3nn(C(C)C)c(=O)c4ccccc34)CC2)cc1C,CID2674735,,,,,,,,,,0.0,0.0,,,,,,
Cn1nc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c2ccccc2c1=O,CID2093024,,,,,,,,0.0,,0.0,0.0,,,,,,
CCC(c1nnnn1CCOC)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)CC1CCCO1,CID3199955,,,,,,,,,,,0.0,,,,,,
CCCC(c1nnnn1CCOC)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)CC1CCCO1,CID3203617,,,,,,,,,,0.0,,,,,,,
O=S(=O)(c1ccc(Cl)cc1)n1ccc(-c2cccc(OCc3c(F)cccc3Cl)c2)n1,CID1477578,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)n2ccc(-c3cccc(OCc4c(F)cccc4Cl)c3)n2)cc1,CID1477570,,,,,,0.0,,,,,,,,,,,
Cc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C(=O)NC2CCCCC2)C1,CID5307491,,,,,,,,,,0.0,,,,,,,
Cc1nn(C)c(C)c1S(=O)(=O)N1CCCC(C(=O)NC2CCCCC2)C1,CID3239697,,,,,,,,0.0,,0.0,,,0.0,,,,
Cc1ccc(OCC(=O)N/N=C/c2ccncc2)cc1,CID837541,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1OCC(=O)N/N=C/c1ccncc1,CID772962,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)cc1[N+](=O)[O-],CID3739004,,,,,,0.0,,,,,,,,,,,
COc1ccc(Cl)cc1C(=O)Nc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1,CID2869217,,,,,,0.0,,,,,,,,,,,
O=C1c2sc3nc4n(c(=O)c3c2CCC1Br)CCCCC4,CID534563,,,,,,,,,,,,0.0,,,,,
O=C1CCCc2c1sc1nc3n(c(=O)c21)CCCCC3,CID625680,,,,,,,,,,0.0,,0.0,,,,,
CC1(C)CSC(=S)N1S(=O)(=O)c1ccccc1,CID792333,,,,,0.0,,,,0.0,,,,,,,,
Cc1ccc(S(=O)(=O)N2C(=S)SCC2(C)C)cc1,CID792335,,,0.0,,0.0,,,,0.0,,,,,,,,
O=C(c1ccco1)n1nc(-c2ccc(Cl)cc2)nc1NCc1ccco1,CID2207969,,,,0.0,0.0,,0.0,,,,,,,,,,0.0
O=C(c1ccco1)n1nc(-c2ccccc2)nc1NCc1ccco1,CID2206868,0.0,0.0,,,,,0.0,,,0.0,0.0,0.0,0.0,,,,
CCOc1nc(NCCN2CCOCC2)nc(NC(C)C)n1,CID767097,,,,,,,,,,0.0,,,,,,,
C=CCNc1nc(NCCN2CCOCC2)nc(OC)n1,CID644524,,0.0,,,,,,,,0.0,,,,,,,
COc1ccc(Cl)c(Cn2c(NCc3ccccn3)nc3c2c(=O)n(C)c(=O)n3C)c1,CID1258003,,,,0.0,,,0.0,,,,,0.0,0.0,,0.0,,
COc1cccc(Cn2c(NCc3ccccn3)nc3c2c(=O)n(C)c(=O)n3C)c1,CID657670,0.0,0.0,0.0,,,,,0.0,,,,,,,,,
CC(C)Nc1nnc(SCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)s1,CID2501656,,,,,,,,,0.0,,0.0,,,,,,
Cn1c(=O)c(C(=O)CSc2nncs2)c(N)n(Cc2ccccc2)c1=O,CID2532080,,0.0,0.0,0.0,0.0,0.0,,,,0.0,,,,,,0.0,0.0
COC1=C/C(=C(\C)NN2CCN(c3ccccc3OC)CC2)C=CC1=O,CID5347512,,,,,,0.0,,,,,,,,,,,
COc1ccccc1N1CCN(NC(C)=C2C=CC(=O)C=C2)CC1,CID5347642,,,,,,0.0,,,,,,,,,,,
C/C(=N\OCC(=O)NN/C=C1\C=CC=CC1=O)c1cccs1,CID6614551,,,,,,,,,,,,0.0,,,,,
CC1=CC(=O)/C(=C/NNC(=O)CO/N=C(\C)c2cccs2)C=C1,CID6614528,,,,,,,,,,,,,,,0.0,,
O=C1OCCC1Sc1ncnc2sccc12,CID2998443,,0.0,,,,,0.0,,,,,,,,,,
Cc1nc(SC2CCOC2=O)c2c(C)c(C)sc2n1,CID4881170,,,,,,0.0,,,,,,,,,,,
Cc1ccccc1N/N=C1\CCCNC1=O,CID1489614,,,,,,,,,,,,0.0,,,,,
Cc1ccc(N/N=C2\CCCNC2=O)cc1,CID571751,,,,,,,,,,,,0.0,,,,,
COc1ccc(C2(C(=O)N3CCOCC3)CCCC2)cc1,CID972908,,,,,,0.0,,,,,,,,,,,
O=C(N1CCOCC1)C1(c2ccc(Cl)cc2)CCCC1,CID2201258,,,,,,,,,,,,,,0.0,,,
CC(=O)Nc1ccc(-c2csc(NC(=O)CCCc3cccs3)n2)cc1,CID2453362,,,,,,,,,,,,,,,0.0,,
Cc1ccc(-c2csc(NC(=O)CCCc3cccs3)n2)cc1,CID2444258,,,,,,,,,,,,,,0.0,,,
S=c1[nH]nc(C2CCCCC2)n1/N=C/C=C/c1ccccc1,CID1955243,,,,,,0.0,,,,,,,,,,,
S=c1[nH]nc(C2CCCCC2)n1/N=C/C(Cl)=C\c1ccccc1,CID1954324,,,,,,,,,,,,,,,0.0,,
Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(-n2nc3ccccc3n2)c1,CID1249631,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC(=O)COc2ccc(CCO)cc2-n2nc3ccccc3n2)cc1C,CID2101805,,,,,,,,,,,,,,0.0,,,
CCOc1ncccc1C(=O)NCC1COc2ccccc2O1,CID2999712,,,,,,,,,,,0.0,0.0,,,,,
CCOc1ncccc1C(=O)N(C)CC1COc2ccccc2O1,CID4882369,,,,,,,,,,,0.0,,,,,,
CC(O)CNc1nc2ccccc2n1-c1ncnc2sc3c(c12)CCC3,CID2999711,,,0.0,0.0,,,,0.0,0.0,0.0,0.0,,,,,,
Cc1cc2ncn(-c3ncnc4sc5c(c34)CCC5)c2cc1C,CID1279885,,,,,,,,,,,,,,,0.0,,
O=c1cc(CNC2CCCCC2)c2ccccc2[nH]1,CID651213,0.0,,0.0,,,,0.0,,,0.0,0.0,0.0,0.0,,,,
CCC(=O)N(Cc1cc(=O)[nH]c2ccccc12)C1CCCCC1,CID655706,0.0,,,,0.0,0.0,,0.0,,,,0.0,,,,,
O=C(CCn1cnc2ccccc2c1=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1,CID1291315,,,0.0,0.0,,,,,,,,,,,,0.0,
CC1CCCC(C)N1S(=O)(=O)c1ccc(NC(=O)CCn2cnc3ccccc3c2=O)cc1,CID2964209,,,,,,,,,,,,,,,0.0,,
O=C(c1ccco1)N1CCN(c2ncnc3c2[nH]c2ccccc23)CC1,CID658799,,,,0.0,,,0.0,,,,,,,,,,
O=C(c1ccco1)N1CCN(c2ncnc3c2[nH]c2ccc(Br)cc23)CC1,CID659580,0.0,,,,,,,,,,0.0,,,,,0.0,0.0
O=C(NCCn1ccc2ccccc21)c1ccc(S(=O)(=O)N2CCOCC2)cc1,CID5044123,,,,,0.0,,,0.0,,,,,,,,,
Cc1cc2ccccc2n1CCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1,CID3244006,,,,,0.0,,,,,,,,,,,,
O=C1C(=CNCCN2CCOCC2)C(=O)c2ccccc21,CID1636776,,,,,,,,,,,,,0.0,,,,
CC(NCCN1CCOCC1)=C1C(=O)c2ccccc2C1=O,CID869142,0.0,0.0,,0.0,,,,,,,,,,,,,0.0
COC1=C/C(=C/NNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C=CC1=O,CID5871285,,,,,,,,,,,,,,,0.0,,
Cc1ccc(S(=O)(=O)NN/C=C2/C=CC(=O)C(O)=C2)cc1[N+](=O)[O-],CID6523470,,,,,,,,,,,,,,,0.0,,
CCOc1ccc2[nH]c(=O)c(CN(CC3CCCN3CC)C(=O)NCc3ccccc3)cc2c1,CID655801,,,,,,,,,0.0,,,,,,,0.0,
CCN1CCCC1CN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)NCc1ccccc1,CID644849,0.0,,0.0,,,,,0.0,0.0,,0.0,,,0.0,,0.0,0.0
CC(C)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(O)COc1cccc2ccccc12,CID655809,,,,,,,,0.0,0.0,,,,,,,,
CCC(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(O)COc1cccc2ccccc12,CID652842,,0.0,0.0,0.0,,,,0.0,,,,,,,,,
Cc1ccc(-c2nc3ccccc3c(=O)n2Cc2ccccc2)cc1,CID1877189,,,,,,,,,,,,,,0.0,,,
O=c1c2ccccc2nc(-c2ccccc2)n1Cc1ccccc1,CID921847,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4ccccc4C)CC3)ccc2[N+](=O)[O-])n1,CID2916345,,,,,,,,,,,,0.0,,,,,
Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4ccc(C(C)(C)C)cc4)CC3)ccc2[N+](=O)[O-])n1,CID2914555,,,,,,,,,,,,0.0,,,0.0,,
CC(=O)c1ccc(NC2=C(N3CCOCC3)C(=O)c3ccccc3C2=O)cc1,CID2854583,,,,,,0.0,,,,,,,,,,,
CN(C1=C(N2CCOCC2)C(=O)c2ccccc2C1=O)c1ccccc1,CID3525345,,,,,,,,,,,,,,0.0,,,
CCOc1ncccc1C(=O)OCC(=O)Nc1ncc(C(F)(F)F)cc1Cl,CID2386361,,,,,,,0.0,,,,,,,,,,0.0
O=C(COC(=O)c1cccnc1Cl)Nc1ncc(Cl)cc1Cl,CID2386604,,,,,,,,,,,,,,0.0,,,
CC(C)c1cc(C(=O)Nc2ccc3c(c2)OCO3)no1,CID5308918,,,,,,,,,,0.0,,,0.0,,,0.0,
CC(C)Cc1cc(C(=O)Nc2ccc3c(c2)OCO3)no1,CID5309470,,,,,,,0.0,,,,,,,,,0.0,
Cc1cc(-c2ccccc2)nc(SCC(=O)N2CCCC2)n1,CID722455,,,,,,,,,,,,,,0.0,,,
CC(Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1CCCC1,CID3145657,0.0,,,,0.0,,,,,,,,,,,,0.0
COc1cc2c(cc1OC)C(c1ccc(-c3cc(Cl)ccc3Cl)o1)=NCC2,CID1304874,,,,,,,,,,,,,,0.0,,,
COc1cc2c(cc1OC)C(c1ccc(-c3ccc(Cl)cc3Cl)o1)=NCC2,CID1527238,,,,,,,,,,,,0.0,,,,,
COc1ccc(NC(=O)c2cc3nc(-c4ccccc4)cc(-c4ccccc4)n3n2)c(OC)c1,CID1097405,,,,,,0.0,,,,,,0.0,,,0.0,,
COc1cc(NC(=O)c2cc3nc(-c4ccccc4)cc(-c4ccccc4)n3n2)cc(OC)c1OC,CID1257799,,,,,,0.0,,,,,,,,,,,
CCOC(=O)N1CCN(C(=O)c2ccc3c(=O)n(-c4ccc(OC)cc4OC)c(=S)[nH]c3c2)CC1,CID3241477,,,,,0.0,,,,,,0.0,,,,,,0.0
CCOC(=O)N1CCN(C(=O)c2ccc3c(=O)n(-c4ccc(OC)cc4)c(=S)[nH]c3c2)CC1,CID3239659,,,0.0,,0.0,,,0.0,,,0.0,,,,,,0.0
CCN1CCN(C(c2cccs2)C(C)NC(=O)c2cccnc2)CC1,CID3241475,,,,,,0.0,,,,,,,,,0.0,,
CC(NC(=O)c1cccnc1)C(c1cccs1)N1CCN(C)CC1,CID4654595,,,,,,,,0.0,,,,,,,0.0,,
O=C(CNC(=O)Cc1ccccc1)NCC(=O)OCC(=O)c1ccccc1Cl,CID2067401,,,,,,0.0,,,,,,,,,,,
CCc1ccc(C(=O)COC(=O)CNC(=O)CNC(=O)Cc2ccccc2)cc1,CID2926054,,,,,,,,,,,,,,,0.0,,
COC(=O)c1sc(S(=O)(=O)NCc2cccs2)c(C(=O)OC)c1C,CID1582770,,,,,0.0,,,,0.0,,,0.0,,,,,
CN(Cc1cccs1)S(=O)(=O)c1cccs1,CID2531261,,,,,0.0,,,,0.0,,,,,0.0,,,
Cn1cnnc1SCC(=O)Nc1nc(-c2ccccc2)cs1,CID861927,,,,,,,,,,,,,,,0.0,,
Cc1nnc(SCC(=O)Nc2nc(-c3ccccc3)cs2)n1N,CID664553,,0.0,,,,,,,0.0,0.0,,0.0,,,,,
Cc1ccc(-c2c(C#N)c(N)nc3c2CCCCC3)o1,CID2047114,,,,0.0,,,,,,,,,0.0,,,,
N#Cc1c(N)nc2c(c1-c1ccco1)CCCCC2,CID754321,,,,0.0,,,,,,,,0.0,,,,0.0,
Cc1cccc(NS(=O)(=O)c2cccs2)n1,CID893587,,,,,,,0.0,,,0.0,,0.0,,,,,
Cc1ccnc(NS(=O)(=O)c2cccs2)c1,CID778332,,,,,,,,,,,,,0.0,0.0,,,
CCCc1[nH]nc2c1C(C1CC=CCC1)C(C#N)=C(N)O2,CID2881752,,,,,,,0.0,,,,,,,,,0.0,
Cc1[nH]nc2c1C(C1CC=CCC1)C(C#N)=C(N)O2,CID2881773,,,,,,,0.0,,,,,,0.0,,,0.0,
CCOC(=O)Nc1ccc2c(c1)nc(CN1CCOCC1)n2C,CID934887,,0.0,,,,,0.0,0.0,0.0,,,,,,,0.0,
c1ccc2[nH]c(CN3CCOCC3)nc2c1,CID825322,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC(=O)c2ccc(Cl)c(N3C(=O)C=CC3=O)c2)cc1,CID885550,,,,,,0.0,,,,,,,,0.0,0.0,,
Cc1ccc(NC(=O)c2cc(N3C(=O)C=CC3=O)ccc2Cl)cc1C,CID616498,,,,,,,,,,,,,,0.0,,,
O=C(CSc1nnc(-c2ccncc2)n1C1CCCCC1)Nc1cccc(O)c1,CID648706,0.0,,0.0,0.0,,0.0,,0.0,,0.0,0.0,,0.0,,,0.0,
O=C(CSc1nnc(-c2ccncc2)n1C1CCCCC1)Nc1ccccc1,CID654419,0.0,,0.0,,0.0,,0.0,,,,,,,,0.0,,
Cc1ccc(OCCNC(=O)c2cc(-n3cnnc3)ccc2Cl)cc1C,CID1817846,,,,,,0.0,,,,,,,,,0.0,,
Cc1cccc(OCCNC(=O)c2cc(-n3cnnc3)ccc2Cl)c1,CID1817843,,,,,,0.0,,,,,,,,,0.0,,
N#Cc1c(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2Cl)sc2c1CCCC2,CID648705,,,,,,,,,,,,,,,,0.0,
COC(=O)c1c(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2Cl)sc2c1CCCC2,CID3193806,,,,,,,,,,,0.0,,,,,,
Clc1ccccc1-c1nc(N/N=C/c2cccnc2)c2ccccc2n1,CID3798272,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-c2nc(N/N=C/c3cccnc3)c3ccccc3n2)cc1,CID2847234,,,,,,0.0,,,,,,,,,,,
Cc1ccc(N/C=C2/C=CC=N2)c(O)c1,CID5310760,,0.0,,0.0,,,,0.0,,,,,,,,,
CC(=O)Nc1ccc(N/C=C2/C=CC=N2)cc1,CID5310706,,0.0,,,,,,,,,,,,,,,
CC(C)(C)C1=Nn2c(nnc2-c2ccccn2)SC1,CID662643,,,,,,,,,,,,,,,,,0.0
CC1=Nn2c(nnc2-c2ccccn2)SC1,CID662615,,,,0.0,,,0.0,,,,,,,,,0.0,
O=C1C=CC(=C(S)N2CCOCC2)C=C1,CID5338680,,,,,,0.0,,,,,,,,,,,
CCOC1=C/C(=C(\S)N2CCOCC2)C=CC1=O,CID5344185,,,,0.0,,,,,,,,,,,,,
O=C(Nc1cccc2c1CCCC2)c1ccc(Br)o1,CID848256,0.0,,,,,,0.0,,0.0,,,,,,,,0.0
O=C(Nc1cccc2c1CCCC2)c1ccco1,CID755291,,,0.0,0.0,,,0.0,,0.0,0.0,0.0,,0.0,,,0.0,
CN1C(=O)C(=Cc2ccc(OCc3cccc(C(=O)O)c3)cc2)C(=O)N(C)C1=O,CID2271209,,,,,,0.0,,,,,,,,,,,
CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1ccc(Cl)cc1,CID1271902,,,,,,0.0,,,,,,,,,,,
O=C(CCn1nnc2ccccc21)Nc1nnc(Cc2ccccc2)s1,CID652817,0.0,0.0,,0.0,0.0,,,,,,,,,,,,
O=C(CCn1nnc2ccccc21)Nc1nnc(Cc2ccc(F)cc2)s1,CID656208,0.0,,,,0.0,,0.0,,,,,,0.0,,,,
Cc1cc(=O)oc(C)c1C(=O)NCc1cccnc1,CID3589163,,,,,,0.0,,,,,,,,,,,
O=C(NCc1cccnc1)c1ccc(=O)oc1,CID662830,,,0.0,0.0,,,,0.0,,,,,,,,,
O=C(O)Cn1cc(C(=S)N2CCCCC2)c2ccccc21,CID951711,,,,,,,,,,,,,,0.0,0.0,,
COCCn1cc(C(=S)N2CCCCC2)c2ccccc21,CID2214885,,,,,,,,,,,,,,0.0,,,
Cn1c(-c2ccc(F)cc2)cnc1SCC(=O)N1CCCCC1,CID649804,0.0,0.0,,,,0.0,0.0,,,,0.0,,,,,,
Cn1c(-c2ccccc2)cnc1SCC(=O)N1CCCCC1,CID864219,,,,,,,,,0.0,,0.0,,,,,,
COc1cccc(-n2c(SC3CCOC3=O)nc3ccccc3c2=O)c1,CID2998363,0.0,0.0,,,,,,,,0.0,0.0,,0.0,,,,
COc1ccc(-n2c(SC3CCOC3=O)nc3ccccc3c2=O)cc1OC,CID2998206,0.0,,0.0,,0.0,,,,,0.0,,,,0.0,,,
COc1ccc(CONS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1Cl,CID1301227,,,,,,,,,,,,0.0,,,,,
CCCCOc1ccc(CONS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1Cl,CID1975036,,,,,,,,,,,,,,,0.0,,
O=Cc1cn(CCC(=O)O)nc1-c1cc2ccccc2o1,CID895913,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1cc(-c2cc3ccccc3o2)n[nH]1,CID2408586,,,,,,,,0.0,,,,,0.0,,0.0,0.0,
Cc1ccc(Sc2c(C)nn(C(=O)C3CC3)c2C)cc1,CID970646,,,,,,,,,,,,,,,0.0,,
Cc1nn(C(=O)C2CC2)c(C)c1Sc1ccc(Cl)cc1,CID978097,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)s1,CID2548577,,,,,,,,,,,,,,0.0,,,
O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccs1,CID795488,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC(=O)COC(=O)Cn2c(C)csc2=O)cc1C,CID2537876,,,,,,,0.0,0.0,,,,,0.0,,,0.0,
Cc1ccc(NC(=O)COC(=O)Cn2c(C)csc2=O)cc1,CID2537874,,,0.0,0.0,,,,,,,,,,,,0.0,
CCOc1ccc2nc(NC(=O)CSc3nnnn3C3CCCCC3)sc2c1,CID648779,,,,,,,,,,0.0,,0.0,,,,0.0,0.0
COc1ccc2nc(NC(=O)CSc3nnnn3C3CCCCC3)sc2c1,CID644723,,0.0,,,,,,,0.0,,,0.0,,,,0.0,0.0
Cc1c(C(=O)Nc2ccncc2)oc2ccccc12,CID648777,,,,0.0,,,0.0,,,,,0.0,,,,,
O=C(Nc1ccncc1)c1cc2ccccc2o1,CID1370094,,,,,,,0.0,0.0,,0.0,,,,0.0,,,
O=C(NCc1ccc2c(c1)OCO2)C1CCN(c2ncccn2)CC1,CID648772,0.0,,0.0,,,,,,,,,,,,,,0.0
Cc1ccnc(N2CCC(C(=O)NCc3ccc4c(c3)OCO4)CC2)n1,CID649649,,0.0,,,,,0.0,0.0,,,0.0,0.0,,,,,
CC(=O)Nc1ccc(S(=O)(=O)N2CCNC(=O)CC2)cc1,CID1535368,,,,,,,,,,,,,,0.0,,,
O=C1CCN(S(=O)(=O)c2ccc(Br)cc2)CCN1,CID1535370,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)cc2)cc1,CID979778,,,,,,0.0,,,,,,,,,,,
COc1ccccc1C(=O)NCc1ccc(-c2nc3ccccc3s2)cc1,CID979773,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(Nc2ncnc3sc(-c4ccccc4)cc23)cc1OC,CID2494828,,,,,,,,,,,,,,0.0,,,
COc1ccc(Nc2ncnc3sc(-c4ccccc4)cc23)cc1,CID705975,,,,,,,,,,,,,,,0.0,,
CCn1c(CNC(=O)Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1nccs1,CID1797285,,0.0,0.0,0.0,,,,,0.0,0.0,,0.0,,,,0.0,0.0
COc1ccc(CC(=O)NC(C)c2nnc(SCC(=O)Nc3nc(C)cs3)n2C)cc1,CID2969475,,0.0,,,,,,,0.0,0.0,,0.0,,,,0.0,0.0
COCCNC(=S)NC1CC2CCCC(C1)N2Cc1cccs1,CID3218172,,,,,,0.0,,,,,,,,,,,
CC(C)CNC(=S)NC1CC2CCCC(C1)N2Cc1cccs1,CID3218171,,,,,,0.0,,,,,,,,,,,
CC1=CC(C)(C)N(C(=O)CSc2nnc(-c3ccccc3)o2)c2ccc(C)cc21,CID1167733,,,0.0,,0.0,,,,,,0.0,,,,,0.0,
COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CSc1nnc(-c2ccc(C)cc2)o1,CID1167735,0.0,,,0.0,0.0,,,,,,,,,,,0.0,0.0
Cc1ccc2oc(=O)c3cc(C(=O)N4CCN(C(=O)c5ccco5)CC4)sc3c2c1,CID5308302,,,,0.0,,,,,,,,,,,,,
O=C(c1ccco1)N1CCN(C(=O)c2cc3c(=O)oc4ccccc4c3s2)CC1,CID3239573,,0.0,,,,,,0.0,,0.0,,,,,,0.0,
CCOc1cc(CNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)ccc1OC,CID3241152,,,,,,,,,,,,,,,,0.0,
O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCc1ccccc1Cl,CID1085599,0.0,0.0,,,,,0.0,,,0.0,,,,,,0.0,0.0
CCN1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)s2)CC1,CID2119305,,,,,,,,,,,,,,,0.0,,
O=CN1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)s2)CC1,CID2476191,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C)c(N2CCN(C(=O)c3cc4ccccn4n3)CC2)c1,CID5307468,0.0,0.0,,,,,,,,,,,,,0.0,,
O=C(c1cc2ccccn2n1)N1CCN(c2cccc(C(F)(F)F)c2)CC1,CID3239558,,,,,0.0,,,,,,,,,,,,0.0
O=C(Nc1cccc(F)c1)C1C2C=CC3(CN(CCCN4CCOCC4)C(=O)C13)O2,CID5307469,,,0.0,,,,,,,,,,,,,,
CC(C)c1ccc(NC(=O)C2C3C=CC4(CN(CCCN5CCOCC5)C(=O)C24)O3)cc1,CID3242783,,,,,,,,,,,,,0.0,,,,0.0
O=C(Nc1nnc(-c2ccc(F)cc2)o1)c1ccco1,CID4283672,0.0,,,,,,0.0,,,0.0,,,,,,,
O=C(Nc1nnc(-c2ccccc2Cl)o1)c1ccco1,CID1247740,0.0,0.0,,0.0,,,,,,0.0,,,0.0,,,0.0,0.0
COc1ccc(C(=O)OCc2csc(C)n2)c(O)c1,CID2475805,,,,,,,,,,,,,,0.0,,,
Cc1nc(COC(=O)c2ccc(CO)cc2)cs1,CID2540827,,,,,0.0,0.0,,0.0,0.0,,,0.0,,0.0,,,
C/C=C(\CS(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1,CID886377,,,,,0.0,,,,,0.0,,,,0.0,0.0,0.0,
O=S(=O)(C/C(=C/CO)S(=O)(=O)c1ccccc1)c1ccccc1,CID5389617,,,,,,,0.0,,,,,0.0,0.0,,0.0,,
CC(C)c1ccc(CN(C(=O)c2cc3ccccc3oc2=O)C2CCS(=O)(=O)C2)cc1,CID3733774,,,,,,,,,,,,,,0.0,,,
O=C(c1cc2ccccc2oc1=O)N(Cc1ccccc1)C1CCS(=O)(=O)C1,CID2946073,,,,,,,,,,0.0,,,,,,,
COC(=O)Nc1nc(-c2ccccc2)c(C(=O)c2ccc(Cl)cc2)s1,CID982681,,,,,,,,,,,,0.0,,,,,
CCOC(=O)Nc1nc(-c2ccccc2)c(C(=O)c2ccc(Cl)cc2)s1,CID7315332,,,,,,,,,,,,,,,0.0,,
O=S(=O)(c1ccc2ccccc2c1)N1CCN(C(=S)Nc2ccc(F)cc2)CC1,CID2446118,,,,,,,,,,,,,,0.0,,,
O=S(=O)(c1ccc2ccccc2c1)N1CCN(C(=S)Nc2ccc(F)c(Cl)c2)CC1,CID2446910,,,,,,,,,,,,,,0.0,,,
COc1ccc(CNC(=O)C(c2ccco2)N(Cc2cccs2)C(=O)Cc2cccs2)cc1,CID656062,,,0.0,,,,,,,,0.0,,,,,,
COc1ccc(CNC(=O)C(c2ccc(C)o2)N(Cc2cccs2)C(=O)Cc2cccs2)cc1,CID3210861,,,,,,,,,,,0.0,,,,,,
Cc1ccc(C)c(NC(=O)CSc2nnc(C)c(=O)n2N)c1,CID7196638,,,,,,,,,,,,,,,0.0,,
Cc1nnc(SCC(=O)Nc2ccc(N(C)C)cc2)n(N)c1=O,CID2388776,,,,,,,,,,,,,,,0.0,,
Cc1n[nH]c(C)c1C(=O)CC1(O)C(=O)N(Cc2ccccc2)c2ccc(Br)cc21,CID2966541,,,,,,,,,0.0,,0.0,,,,,,
COc1ccc(CN2C(=O)C(O)(CC(=O)c3c(C)n[nH]c3C)c3ccccc32)cc1OC,CID2956221,,,0.0,,,,,,0.0,,,,,,,,
Cc1ccc(C(C)C)c(OCc2nnc3n2CCCCC3)c1,CID2120117,0.0,0.0,,,,,,0.0,,,,0.0,,,,,
Cc1cccc(OCc2nnc3n2CCCCC3)c1,CID2120112,0.0,0.0,0.0,,,,0.0,0.0,,,,0.0,0.0,,0.0,,
Cc1c(NC(=O)CSc2ncccn2)c(=O)n(-c2ccccc2)n1C,CID2355231,,,,,,,,,,,,,,,0.0,,
Cc1ccnc(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)n1,CID2368077,,,,,,,,,,,,,,,0.0,,
Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)Nc1ccccc1N1CCOCC1,CID2349583,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccccc2N2CCOCC2)cc1,CID2332871,,,0.0,,,,,0.0,,,0.0,,,,,,
O=C(O)c1ccccc1-n1c(-c2ccccc2)cc2c1CCCC2=O,CID703413,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(-n2c(-c3ccccc3)cc3c2CCCC3=O)cc1,CID1483745,,,,,,,,,,,,0.0,,,,,
CCOC1OC(C(=O)NCc2ccccc2)=CC(c2ccc(Br)cc2)C1CCCO,CID16196980,,,,,,,,,,,,,,0.0,,,
C#Cc1ccc(C2C=C(C(=O)NCc3ccccc3)OC(OCC)C2CCCO)cc1,CID16197051,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1sc(NC(=O)CSc2nnc(-c3ccco3)n2CC)c(C(=O)OCC)c1C,CID2942992,,,0.0,,0.0,,,,,,,,,,,,
COC(=O)c1c(NC(=O)CSc2nnc(-c3ccco3)n2C)sc(C)c1C,CID3184394,,,,,,,,,0.0,,0.0,,,,,,
Cc1nnc2sc(-c3ccc(NC(=O)c4ccc(-c5ccc(Cl)cc5Cl)o4)cc3)nn12,CID2953653,0.0,,,,,,,,,,,,,,,,
Cc1nnc2sc(-c3ccc(NC(=O)c4ccc(-c5ccc(Br)cc5)o4)cc3)nn12,CID1294347,0.0,,,,,,,,,,,,,,,0.0,0.0
CN1C(=O)/C(=C\c2ccccc2OCCOc2ccc([N+](=O)[O-])cc2)SC1=S,CID2272687,,,,,,0.0,,,,,,,,,,,
COc1ccccc1OCCOc1ccccc1/C=C1/SC(=S)N(C)C1=O,CID2271431,,,,,,0.0,,,,,,,,,,,
COc1ccc(-c2nnc(SCC(=O)c3cccs3)n2-c2ccc(Cl)cc2)cc1,CID991310,,,,,,,,,,,,,,0.0,,,
O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1cccs1,CID573971,,,,,,0.0,,,,,,,,,,,
C=CCn1c(C)cc(C(=O)CSc2nc3ccccc3o2)c1C,CID2620914,0.0,,,,,,0.0,,,,,,0.0,0.0,,,0.0
COCCn1c(C)cc(C(=O)CSc2nc3ccccc3o2)c1C,CID2620910,,,0.0,0.0,,0.0,0.0,0.0,0.0,,,,0.0,,,,
COc1ccc(N2C(=O)N(Cc3ccc(C)cc3)c3ccccc3S2(=O)=O)cc1,CID2137639,,,,,,,,,,,,,,0.0,,,
Cc1ccc(N2C(=O)N(Cc3ccccc3C)c3ccccc3S2(=O)=O)cc1,CID2151531,,,,,,,,,,,,,,0.0,,,
Cc1cc(-c2nnc3n2N=C(C(C)(C)C)CS3)n[nH]1,CID665809,,0.0,,,0.0,,,,,,,,,,,,
CC1=Nn2c(nnc2-c2cc(C)[nH]n2)SC1,CID665794,,,,,0.0,,,,,,0.0,,,,,,
O=C(Nc1ccc2c(c1)OCO2)C(c1ccccc1)N1CCN(C(=O)c2ccco2)CC1,CID3236553,0.0,,,,,,,,0.0,,,,,,,,
O=C(Nc1ccc2c(c1)OCO2)C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1,CID3245657,0.0,,,,,,0.0,,,,,,,,,,
COc1ccc(C(=O)/C=C/Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC,CID1893587,0.0,0.0,,,0.0,,,,,,,0.0,,,,,
Cc1c(N/C=C/C(=O)c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C,CID2250882,,,,,,0.0,,,,,,,,,,,
CCc1ccccc1NC1=NCC(=O)N1C1CCCCC1,CID649300,0.0,,,,,,0.0,,,,,,0.0,,,,
Cc1cc(C)c(NC2=NCC(=O)N2C2CCCCC2)c(C)c1,CID650583,,,,,,,0.0,0.0,,,,,0.0,0.0,,,
CC1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1,CID649307,0.0,0.0,,,0.0,,,,,,0.0,,,,,0.0,
CC1CCCN(S(=O)(=O)c2ccc(NC(=O)c3cccc(-n4cnnn4)c3)cc2)C1,CID649142,,,,,0.0,,,,,,,,,,,0.0,0.0
c1ccc(NC2=Nc3cccc4cccc2c34)cc1,CID802502,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC2=Nc3cccc4cccc2c34)cc1OC,CID759536,,,,,,0.0,,,,,,,,,,,
CCc1cc2ccc(C)cc2nc1SCC(=O)NNC(=O)c1ccco1,CID1440447,,,,,,,,,,,,,,0.0,,,
CCc1cc2cc(OC)ccc2nc1SCC(=O)NNC(=O)c1ccco1,CID3208036,,,,,,,,,,,,,,,0.0,,
Cc1noc(C(=O)NCc2ccco2)c1Cl,CID5308896,,0.0,,0.0,,,,,,,,,,,,0.0,
Cc1cc(C(=O)NCc2ccco2)on1,CID9550991,,,,,,0.0,,,,,,,,,,,
CCOC(=O)N1CCN(C(=O)c2oc(=O)c3ccccc3c2-c2ccc(C)cc2)CC1,CID5308894,,,,0.0,,0.0,,,,,,,,,,,
CCN1CCN(C(=O)c2oc(=O)c3ccccc3c2-c2ccc(C)cc2)CC1,CID5308733,0.0,,,,,,,,,,,,,,,,
CCOCCCN(C(=O)CNC(=O)c1ccco1)C(C(=O)NC1CCCC1)c1ccccc1C,CID652997,,,0.0,,,,,0.0,0.0,,0.0,,,,,,
CCCCN(C(=O)CNC(=O)c1ccco1)C(C(=O)NC1CCCC1)c1ccc(OC)cc1,CID3211570,,,,,,,,,,,,0.0,,,,,
CCCN(C(=O)c1cccs1)c1nnc(-c2ccncc2)s1,CID652991,1.0,,0.0,,0.0,,0.0,,0.0,0.0,0.0,,,,,,
CCN(C(=O)c1cccs1)c1nnc(-c2ccncc2)s1,CID647461,0.0,,0.0,,0.0,,,,,,,0.0,0.0,,,,
Nc1ccc2c(c1)C(=O)N(CC1CCCO1)C2=O,CID2925042,,,,0.0,,,,0.0,,0.0,0.0,,,,,,0.0
O=C1c2ccccc2C(=O)N1CC1CCCO1,CID2883188,,,,,,,,,0.0,,,,,,,,
O=C(Oc1ccccc1C(=O)Nc1ccccc1)c1ccccc1Br,CID1217554,,,,,,,,,,,,,,,0.0,,
COc1ccccc1C(=O)Oc1ccccc1C(=O)Nc1ccccc1,CID972371,,,,,,,,,,,,,,0.0,,,
O=C1N=C(Nc2ccccc2)S/C1=C\c1cccn1-c1ccccc1,CID1819576,,,,,,,,,,,,,,,0.0,,
CN(C)c1ccc(-n2cccc2/C=C2/SC(Nc3ccc(F)cc3)=NC2=O)cc1,CID1824319,,,,,,0.0,,,,,,,,,,,
CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/Nc1cc(C)ccn1,CID5389048,,,,0.0,,,,,,,,,,,,,
CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/Nc1ccccn1,CID5389059,,,0.0,,,,,0.0,,,,,,,,,
CN(C)c1ccc(/C=[N+](\[O-])C2SC(=S)N(C)C2(C)C)cc1,CID5389045,,,,,,,,,,,,,0.0,,,,
CN1C(=S)SC(/[N+]([O-])=C\c2ccccc2)C1(C)C,CID9551615,,,,,,,,,,,,0.0,,,,,
COc1cccc(-c2nn(C)c3sc(C(=O)N4CCN(c5ccccn5)CC4)cc23)c1,CID3242220,0.0,,,,,,,0.0,,,,,,,,,
Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)N3CCN(c4ccccn4)CC3)sc21,CID5309099,0.0,,,,,,,,,,,,,,,,
Cc1occc1C(=O)N/N=C/C=C/c1ccccc1[N+](=O)[O-],CID2143150,,,,,,,,,,,,,,,0.0,,
Cc1cc(C(=O)N/N=C/C=C/c2ccccc2)c(C)o1,CID15945183,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(NC(=O)CC2CC(C)(C)OC2=O)cc1,CID664727,,,,0.0,,,,,,,,,,,,0.0,0.0
CC1(C)CC(CC(=O)Nc2ccc([N+](=O)[O-])cc2)C(=O)O1,CID2897104,,,,,,,,,,,,,,,0.0,,
CC(C)c1nc2sc3c(NCc4ccco4)ncnc3c2c2c1COC(C)(C)C2,CID664720,,,,,,0.0,,,,,0.0,,,,,,
Cc1nc2sc3c(NCc4ccco4)ncnc3c2c2c1COC(C)(C)C2,CID659587,,,,,,,0.0,,,,,,,,,,
O=C1c2ccccc2C(Nc2cccnc2)N1Cc1ccccc1,CID11957221,,,,,,0.0,,,,,,,,,,,
O=C1c2ccccc2C(Nc2cccnc2)N1Cc1ccccc1Cl,CID5307944,0.0,,,,,,,,,,,,,,,0.0,
Cc1noc(C)c1COC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1,CID2432464,,,,,,,,,,,0.0,,,0.0,,0.0,0.0
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)OCc1c(C)noc1C,CID2998479,,0.0,,,0.0,,,,,0.0,,,0.0,,,,
COc1ccc(CCNC(=O)CSc2ncn[nH]2)cc1,CID2343305,,,,,,,,,,,,0.0,,,,,
O=C(CSc1ncn[nH]1)NCCc1ccccc1,CID1083038,,,,,,,,,,0.0,,,,,0.0,,
COc1ccc(Nc2cccccc2=O)cc1,CID614867,,,,,,,,,,,,,0.0,,,0.0,
Cc1ccc(Nc2cccccc2=O)cc1,CID658410,,,,0.0,,0.0,,,0.0,0.0,0.0,,,,,,
CCS(=O)(=O)n1nc(-c2cccnc2)nc1NCc1ccc(F)cc1,CID3652908,,,,,,,,,,,,,,,0.0,,
CCC(=O)n1nc(-c2cccnc2)nc1NCc1ccc(OC)cc1,CID2243127,,,0.0,,,,,,,,,,,,0.0,,
Cc1cccc(C)c1NC(=O)Cn1nnc(-c2ccc(N3CCOCC3)cc2)n1,CID645326,,,,,,,,,,,,,,0.0,,0.0,
Cc1ccccc1NC(=O)Cn1nnc(-c2ccc(N3CCOCC3)cc2)n1,CID652930,,,,,,,,,,0.0,0.0,,,,,,
COc1cccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NC4CC4)c(=O)c3c2)c1,CID3241023,,,0.0,,0.0,,,0.0,0.0,,0.0,,0.0,,,,
O=C(NC1CC1)c1c[nH]c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2c1=O,CID3238129,,,,,0.0,,,,,0.0,,,,,,,0.0
Cn1cc(Br)c(C(=O)Nc2nccs2)n1,CID903362,,,,,,,,,,,,,,0.0,,,
CCC(C)OC(=O)n1ccc(C(=O)Nc2nccs2)n1,CID646212,,0.0,,,,,,,0.0,0.0,0.0,,0.0,,,0.0,
COc1ccc(-c2c(C#N)c(N)nc3c2CCCCCC3)cc1OC,CID792592,,,,,,0.0,,,,,,,,,,,
N#Cc1c(N)nc2c(c1-c1cccc(O)c1)CCCCCC2,CID3243795,,0.0,,,,,,,0.0,,,,,,,,
Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)c1C,CID2417657,,,,,,,,,,0.0,0.0,,,,,,
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)c(C)c1,CID2547867,,,0.0,,0.0,,,0.0,,,,,,,,,0.0
CC(C(=O)Nc1ccccc1-c1ccccc1)N1CCCCC1,CID9552036,,,,,,0.0,,,,,,,,,,,
O=C(CN1CCCCC1)Nc1ccccc1-c1ccccc1,CID856299,,,,,,,,,,,,0.0,,,,,
COc1ccccc1C/C(N)=N/OC(=O)COc1ccc2ccccc2c1,CID5348677,,,,,,0.0,,,,,,,,,,,
COc1ccc(C/C(N)=N/OC(=O)COc2ccc3ccccc3c2)cc1,CID5348508,,,,,,0.0,,,,,,,,,,,
Cc1ccc(S(=O)(=O)C(c2ccccc2)c2c(C)noc2C)cc1,CID4460128,,,,,,,,,,,,,,0.0,0.0,,
Cc1noc(C)c1C(c1ccccc1)S(=O)(=O)c1ccccc1,CID3402760,,,,,,,,,,,,,,,0.0,,
Cc1c(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(=O)n(-c2ccccc2)n1C,CID2321919,,,,,,0.0,,,,,0.0,,,,,,
Cc1c(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c(=O)n(-c2ccccc2)n1C,CID1190415,,,,0.0,,,,0.0,,,,,0.0,,,0.0,
COC(=O)Cn1cnc2c(C#N)c3n(c2c1=O)CCCCC3,CID755499,,,0.0,,,,,0.0,,,0.0,,,,,,
CCOC(=O)Cn1cnc2c(C#N)c3n(c2c1=O)CCCCC3,CID1375907,,,,,,,,,,,,,0.0,,,,
Cc1nn2c3c(cnc2c1-c1ccccc1)C(=O)CC(C)C3,CID2979178,,0.0,,,,,0.0,0.0,,,,,,,,,
Cc1nn2c3c(cnc2c1-c1ccccc1)C(=O)CCC3,CID666709,,0.0,0.0,,,0.0,0.0,,,,,,,,0.0,,
CCOc1ccc(CNC(=O)CCCOc2cc(=O)n(C)c3ccccc23)cc1,CID9551319,,,,,,,,,,0.0,,,,,,,
COc1ccccc1CNC(=O)CCCOc1cc(=O)n(C)c2ccccc12,CID9551321,,,,,,0.0,,,,,,,,,,,
CCn1c(=O)cc(OCC(=O)NCc2ccc(C)o2)c2ccccc21,CID3243054,,,,,,,,,,,,,,,,,0.0
CCn1c(=O)cc(OCC(=O)NCc2ccco2)c2ccccc21,CID3243114,,,,0.0,,,,,0.0,,0.0,,,,,0.0,
O=C(COc1ccc(Br)cc1Br)NC(=S)N1CCCc2ccccc21,CID1014950,,,,,,,,,,,,0.0,,,,,
Cc1cccc(OCC(=O)NC(=S)N2CCCc3ccccc32)c1,CID833411,,,,,,0.0,,,,,,0.0,,0.0,,,
Cn1cc(CNC(=O)COc2ccc(Cl)cc2Cl)cn1,CID896850,0.0,,,,,,,,,,,,,,,,
CCn1cc(C(C)NC(=O)COc2ccc(Cl)cc2C)c(C)n1,CID2970278,0.0,0.0,0.0,0.0,,,,,0.0,0.0,0.0,,,,,0.0,0.0
O=C(NCCN1CCOCC1)c1cc2sccc2n1Cc1ccc(Cl)cc1,CID3236744,,,0.0,0.0,0.0,,0.0,,,,,,,,,,
O=C(NCCN1CCOCC1)c1cc2sccc2n1Cc1ccc(F)cc1,CID3236206,0.0,0.0,0.0,,,,,,,,,,,,,,0.0
Cc1ccc(C(=O)N/N=C/c2sc(=O)n(Cc3cccc(C(=O)O)c3)c2Cl)cc1,CID1850962,,,,,,0.0,,,0.0,,0.0,,,,,,
O=C(O)c1cccc(Cn2c(Cl)c(/C=N/NC(=O)c3ccccc3)sc2=O)c1,CID1955761,,,,,,0.0,,,0.0,,0.0,0.0,,,,,
CCOc1ccc2nc(NC(=O)C(CC)Sc3nc(=O)cc(C)[nH]3)sc2c1,CID2982135,,,,,0.0,,0.0,,,0.0,,,,,,0.0,
COc1ccc2nc(NC(=O)CSc3nc(=O)cc(C)[nH]3)sc2c1,CID1796573,,,,,,,,,,,,,,0.0,,,
CCC1(CC)NC(=O)N(CC(=O)OCC(=O)Nc2sccc2C#N)C1=O,CID2551904,,,,,,,,,,,,,,,0.0,,
CC1(C)NC(=O)N(CC(=O)OCC(=O)Nc2sccc2C#N)C1=O,CID2482902,,,,,,,,,,,,,,0.0,,,
O=[N+]([O-])c1ccc(CSc2ncnc3ccccc23)cc1,CID2371981,,,,,,,,,,,,,,,0.0,,
Cc1ccc(CSc2ncnc3ccccc23)cc1,CID2377234,,,,,,,,,,,,,,,0.0,,
CCC(Sc1ncccc1C(=O)O)C(=O)N1CCOCC1,CID3243162,,0.0,0.0,,,,,,,,,,,,,,
CCOC(=O)c1cccnc1SC(CC)C(=O)N1CCOCC1,CID3238970,,,,,,0.0,,,,,,0.0,,,,0.0,
CCCOc1ccc(NC(=O)C2CC(=O)N3CCCN=C3S2)cc1,CID2958466,,,,,0.0,,0.0,,,0.0,0.0,,,,,0.0,
CCOc1ccc(NC(=O)C2CC(=O)N3CCCN=C3S2)cc1,CID2950631,,,,0.0,0.0,,0.0,,,0.0,,,,,,0.0,
CCC(CC)C(=O)Nc1c2c(nn1-c1ccc(OC)cc1)CS(=O)(=O)C2,CID3243163,,0.0,0.0,,,,,,0.0,,0.0,,,,,0.0,
CCCC(=O)Nc1c2c(nn1-c1ccc(OC)cc1)CS(=O)(=O)C2,CID3242465,,0.0,,,,,0.0,,0.0,,,,,,,,0.0
OCC12COC(c3ccccc3)N1C(c1ccccc1)OC2,CID96863,,,,,,,,0.0,,,,,0.0,,,,0.0
Cc1ccc(C2OCC3(CO)COC(c4ccc(C)cc4)N23)cc1,CID626288,,,,,,,,,,,0.0,,,,,,
Cc1ccc(-c2nc(C3CCN(S(C)(=O)=O)CC3)no2)cc1,CID3245044,0.0,0.0,,,0.0,,,,,,,,,,,0.0,
CS(=O)(=O)N1CCC(c2noc(-c3ccc(C(F)(F)F)cc3)n2)CC1,CID3241377,0.0,,,,0.0,,,0.0,,,,,,,,,0.0
CSc1ccc(CN2C(=O)NC3(CCCCCCC3)C2=O)cc1,CID2584061,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(C(C)=O)cc1CN1C(=O)NC2(CCCCCCC2)C1=O,CID2527740,,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2nc(N3CCOCC3)nc3n[nH]c(N)c23)cc1,CID3244716,,1.0,,,,,0.0,,,,,,,,,,
Nc1[nH]nc2nc(N3CCOCC3)nc(-c3ccccc3)c12,CID3242999,,0.0,,,,,,,,0.0,,,,,,,
O=c1nc(SCc2ccc(Cl)cc2)[nH]c2ccsc12,CID1487590,,,,,,,,,,,,,,0.0,0.0,,
O=c1nc(SCc2ccccc2)[nH]c2ccsc12,CID1484668,,,,,,,,,,,,,,0.0,,,
CC(C)Cn1cnc2c(c(-c3ccccc3)c(-c3ccccc3)n2Cc2ccco2)c1=N,CID1312356,,,,,,0.0,,,,,0.0,,,,,,
N=c1c2c(-c3ccccc3)c(-c3ccccc3)n(Cc3ccco3)c2ncn1CCO,CID1076022,,,,,,,,,,,0.0,0.0,,,,,
CCCCN1C(=O)NC(=O)/C(=C\NC2CCCCC2N)C1=O,CID5389868,,,,0.0,,,,,,,0.0,,0.0,0.0,0.0,,
CCCCCCN1C(=O)NC(=O)/C(=C\NC2CCCCC2N)C1=O,CID5389609,,,,,,,,,,,,,,,0.0,,
N#Cc1nc(Cc2ccccc2)oc1NCCc1ccccc1,CID1242497,,,,0.0,,,,0.0,,,0.0,0.0,0.0,,0.0,,
COc1ccc(CCNc2oc(Cc3ccccc3)nc2C#N)cc1OC,CID664153,0.0,0.0,,,,,0.0,,0.0,0.0,0.0,,,,,,0.0
O=S(=O)(NCc1cn2ccsc2n1)c1cccs1,CID3245249,,,,,0.0,,,,,,,0.0,,,,,
CCc1ccc(S(=O)(=O)NCc2cn3ccsc3n2)s1,CID3237455,,,,,0.0,,,,,,,,,,,,
O=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccc(Br)o1,CID1255616,,,,,,,,,0.0,,0.0,,,,,,0.0
Cc1ccc(-c2nnc(-c3ccc(NC(=O)c4ccco4)cc3)o2)cc1,CID2232007,0.0,,,,,,,,,0.0,,,0.0,,,,0.0
CSc1nc(=S)n(Cc2ccccc2)c(C)c1C(C)=O,CID839881,,,,,,,,,,,,,,0.0,,,
CCSc1nc(=S)n(Cc2ccccc2)c(C)c1C(C)=O,CID839889,,,,,,,,,,,,,,,0.0,,
O=C(c1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1)N1CCOCC1,CID2200863,0.0,,,0.0,,,,0.0,0.0,0.0,,,,,,,
COc1ccc(C2(C(=O)Nc3ccc(C(=O)N4CCOCC4)cc3)CCOCC2)cc1,CID662798,,,,,,0.0,0.0,,0.0,,,,,,,,
COc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(C3CCCCC3)nc21,CID5310399,,,0.0,,,,,0.0,,,,,,,,,
NC(=O)c1nc(C2CCCCC2)nc2c1[nH]c(=O)n2-c1ccc(F)cc1,CID5310029,,,,,,,,,,,,,,,,,0.0
CCOC(=O)c1sc(C)nc1C1CCN(C(=O)OCC)CC1,CID3240560,,,,0.0,,,,,0.0,,,,,,,,
CCOC(=O)N1CCC(c2nc(C)sc2C(=O)O)CC1,CID3239539,,,,0.0,,,,,,,,,0.0,,,0.0,
CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)NCc3cccs3)ccc21,CID3240567,,,0.0,,0.0,,,,,0.0,,,,,,,
CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)NCc3cccs3)ccc21,CID3237527,,,,0.0,0.0,,,,,0.0,,,,0.0,,,
Cc1cccc(OC(=O)c2ccc3nccnc3c2)c1,CID1129974,,,,,,,,,0.0,,,,,0.0,0.0,,
O=C(Oc1ccccc1)c1ccc2nccnc2c1,CID645032,0.0,,,,,,,,0.0,,,,,,,0.0,
Cn1c(CCNC(=O)c2ccco2)nc2cc(NS(=O)(=O)c3ccccc3)ccc21,CID666872,,0.0,0.0,,,,,,,,,,0.0,,,0.0,0.0
Cn1c(CCNC(=O)c2ccco2)nc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21,CID667248,0.0,,,,0.0,0.0,,,0.0,,,0.0,,,,,0.0
Cc1cc(C)cc(OCC(=O)NC2=NCCS2)c1,CID801462,,0.0,,0.0,0.0,,0.0,,,,,,,0.0,,,
Cc1ccccc1OCC(=O)NC1=NCCS1,CID924631,,,,,,0.0,,,,,,,,,,,
O=C(Cn1nnc(-c2ccccc2)n1)Nc1ccc2c(c1)OCO2,CID883567,,,,,,,,,,,0.0,,,,,,
O=C(Cn1nnc(-c2ccccc2F)n1)Nc1ccc2c(c1)OCO2,CID651101,,0.0,,,,,,,,,,,,,,,
CCOC(=O)Cc1csc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)n1,CID3238669,,,,,0.0,,,,,,,,,,,,
O=C(Nc1nccs1)c1ccc(S(=O)(=O)N2CCCCC2)cc1,CID1158565,0.0,,,,0.0,,,,0.0,0.0,0.0,,0.0,0.0,,,0.0
COc1ccc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1OC,CID2263096,,,,,,,,,,,,0.0,,,,,
Cc1ccccc1/C=C1\S/C(=N\Cc2ccccc2)N(Cc2ccccc2)C1=O,CID2262647,,,,,,0.0,,,,,,,,,,,
COc1cccc(-c2csc(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)n2)c1,CID647832,,,0.0,0.0,0.0,,,,,,,,0.0,,,,
O=S(=O)(c1ccc(F)cc1)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1,CID1447224,,,,,,,,,,,,,,0.0,,,
COc1cc(NC(=O)Cn2c(-c3cncs3)nc3ccccc32)cc(OC)c1OC,CID647834,,,0.0,,0.0,0.0,,0.0,,,,,,,,0.0,0.0
COc1cccc(NC(=O)Cn2c(-c3cncs3)nc3ccccc32)c1,CID1080280,0.0,0.0,0.0,,0.0,,,,,,,,0.0,,,,0.0
Cn1ncc(Br)c1C(=O)OCC(=O)Nc1nc(-c2ccccc2)cs1,CID1221829,,,,,,,,,0.0,,,,,,,,
Cn1nccc1C(=O)OCC(=O)Nc1nc(-c2ccccc2)cs1,CID652422,0.0,,0.0,0.0,,0.0,,,0.0,,0.0,,,,,,
O=C(OCc1ccccc1F)c1ccc2c(c1)-c1ccccc1C2=O,CID1262921,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1ccc(COC(=O)c2ccc3c(c2)-c2ccccc2C3=O)cc1,CID1218387,,,,,,0.0,,,,,,,,,,,
CCc1ccc(OCC(=O)N2CCN=C2c2ccccc2)cc1,CID757447,,,,,,0.0,,,,,,0.0,,,,,
O=C(COc1ccccc1)N1CCN=C1c1ccccc1,CID801655,,,0.0,,,,,,,,,0.0,0.0,,,0.0,
CC(C)Cn1c(N2CCN(C(=O)c3cccs3)CC2)nc2ccccc21,CID651735,0.0,0.0,,0.0,,,,,,,,,,,0.0,0.0,
CC(C)n1c(N2CCN(C(=O)c3cccs3)CC2)nc2ccccc21,CID651028,0.0,0.0,0.0,0.0,,,,0.0,,,,,0.0,,,0.0,0.0
Cc1oc(-c2ccccc2Cl)nc1CSc1nc(=O)c2c([nH]1)CCC2,CID15944868,,,,,,,,,,,,,,0.0,,,
Cc1cccc(-c2nc(CSc3nc(=O)c4c([nH]3)CCC4)c(C)o2)c1,CID15944707,,,,,,,,,,,,,,0.0,,,
CC1CCN(S(=O)(=O)c2ccc(C(=O)OCc3ccc4c(c3)OCO4)cc2)CC1,CID2104605,,,,,,,,,,0.0,,,,0.0,,,
O=C(OCc1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)N2CCCCC2)cc1,CID1116390,0.0,,,,,,0.0,,,0.0,,,,0.0,,0.0,
Cc1ccc(-c2nccc(-c3ccc([N+](=O)[O-])c(CS(=O)(=O)c4ccc(Cl)cc4)c3)n2)cc1,CID2767316,,,,,,0.0,,,,0.0,,0.0,,,,,
O=[N+]([O-])c1ccc(-c2ccnc(-c3ccccc3)n2)cc1CS(=O)(=O)c1ccc(Cl)cc1,CID1471237,,,,,,,,,,,0.0,,,,,,
O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCCCCC1,CID777209,,,,,,,,,,,,,,0.0,,,
O=C(Cc1ccc(Br)cc1)N1CCCCCC1,CID875268,0.0,,,,,,,,0.0,,,0.0,,,,,0.0
CCc1c(O)n2c(nc1=O)sc1ccccc12,CID825000,,,,,,0.0,,,,,,,,,,,
COC(=O)c1cc(=O)nc2sc3ccccc3n12,CID651247,,,,0.0,,,,0.0,,,,,,,,,
NC1=NS(=O)(=O)NC1c1ccc(Br)cc1,CID2892195,,,,,,,,,,,,,,0.0,,,
NC1=NS(=O)(=O)NC1c1ccc(Cl)cc1,CID2892566,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccc(-c2nc(CS(=O)(=O)CC(=O)NC3CCCCC3C)c(C)o2)cc1,CID5307283,,,0.0,,,,,0.0,,,,0.0,,,,,
Cc1ccccc1-c1nc(CS(=O)(=O)CC(=O)N(C)C2CCCCC2)c(C)o1,CID5309377,,,,0.0,,,,,,0.0,,,,,,0.0,0.0
Cn1c(=O)oc2cc(S(=O)(=O)N3CCC(N4CCCCC4)CC3)ccc21,CID5307285,0.0,0.0,,,,,,,,,,,,,,,
CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3CCC(N4CCCCC4)CC3)ccc21,CID5309146,,,,,,,,,,,,,,,,0.0,
Cc1nnc(SCC(N)=O)n1CCc1ccccc1,CID864315,,,,,,,,,,,,0.0,,,,,
Cc1nnc(SCC(=O)NC(C)(C)C)n1CCc1ccccc1,CID650636,0.0,0.0,,,,,0.0,0.0,,,0.0,,,,,0.0,
CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NC3CCCc4ccccc43)c2)CC1,CID9551887,,,,,,0.0,,,,0.0,,,,,,,
CN1CCN(S(=O)(=O)c2cccc(C(=O)NC3CCCc4ccccc43)c2)CC1,CID2998039,,,,0.0,0.0,0.0,,0.0,,,,,,,,0.0,0.0
CC(C)c1ccc(/C=C2\CC/C(=C\C=N\N(C)C)C2=O)cc1,CID9551886,,,,,,0.0,,,,,,,,,,,
CN(C)/N=C/C=C1\CC/C(=C\c2ccc(Br)cc2)C1=O,CID2327876,,,,,,,,,,,,,,,0.0,,
O=S(=O)(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Cl)cc1,CID981111,,,,,,,,,,,,,,,0.0,,
CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)cc1,CID2411471,,,,,,,,,,,,,,,0.0,,
COc1cc(C(=O)NCCC(=O)NCCCN2CCCCC2)cc(OC)c1OC,CID3241961,0.0,,,,,,,,,,,,,,,0.0,
COc1cc(C(=O)NCCC(=O)NCCCN2CCCCC2C)cc(OC)c1OC,CID3236923,0.0,,,,,,,0.0,,,,,,,,,
CCn1c(C(=O)N2CCCC(C(=O)O)C2)cc2sccc21,CID3241962,,,,0.0,,,,,0.0,,0.0,0.0,0.0,,,,
Cn1c(C(=O)N2CCCC(C(=O)O)C2)cc2sccc21,CID3240773,,,0.0,,,,,,,,,,,,,,
O=C(CSc1nnnn1-c1ccccc1)Nc1nsc(-c2ccccc2)n1,CID1589754,,0.0,,,0.0,,,,,,0.0,,,,,,
Cc1ccc(-c2nc(NC(=O)CSc3nnnn3-c3ccccc3)ns2)cc1,CID3245897,,0.0,,0.0,0.0,,,,,,,,0.0,,,,
COc1ccc(/C=c2\sc3n(c2=O)NC2(c4ccccc4)N(C)C(=O)N(C)C2(c2ccccc2)N=3)cc1,CID4518826,,,,,,0.0,,,,0.0,,,,,,,
CN1C(=O)N(C)C2(c3ccccc3)Nn3c(s/c(=C\c4ccccc4)c3=O)=NC12c1ccccc1,CID3706586,,,,,,,,,,,0.0,,,,,,
CN1C(=O)S/C(=C/c2cccnc2)C1=O,CID5523891,,,,,,,,,,,,0.0,,,,,
CC(C)N1C(=O)S/C(=C/c2cccnc2)C1=O,CID2584870,,,,,,0.0,,,,,,0.0,,,0.0,,
O=C(CCCc1nc2ccccc2s1)Nc1nccs1,CID2666648,0.0,,,,0.0,0.0,,,0.0,,0.0,,,0.0,0.0,,
Cc1cnc(NC(=O)CCCc2nc3ccccc3s2)s1,CID2445782,,,,,,,,,0.0,0.0,0.0,,,,0.0,,
COCCn1/c(=N/C(=O)CSCC(=O)NC2CCCCC2)sc2cc(OC)ccc21,CID3241386,,,,,,0.0,,,,,0.0,,,,,,
COC(=O)Cn1/c(=N/C(=O)CSCC(=O)NC2CCCCC2)sc2cc(OC)ccc21,CID3235957,,,,,0.0,,,,,,0.0,,,,,0.0,
Cc1nnc(SCC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1-c1ccccc1,CID2537618,,,,0.0,0.0,0.0,,,,,0.0,,,,,,
COc1ccc(-n2cnnc2SCC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1,CID2551695,,,,,0.0,,,,,,0.0,,,,,0.0,0.0
CN1C(=O)CSc2ccc(NC(=O)NCc3ccc(F)cc3)cc21,CID16193587,,,,,,,,,,,,,,0.0,,,
CN1C(=O)CSc2ccc(NC(=O)NCc3ccccc3)cc21,CID16193552,,,,,,,,,,,,,,,0.0,,
O=S1(=O)CCC(NS(=O)(=O)c2cccc3cccnc23)C1,CID2906013,,0.0,,0.0,0.0,,0.0,,,,,,,,,,
Cc1ccc2cccc(S(=O)(=O)NC3CCS(=O)(=O)C3)c2n1,CID2959108,,,,0.0,0.0,,0.0,,,,,,,,,,
COC(=O)c1ccc(C2C(Oc3ccccc3)C(=O)N2CCc2ccc(F)cc2)cc1,CID2960533,,,,,,0.0,,,,,,0.0,,,,,
COC(=O)c1ccc(C2C(Oc3ccccc3)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1,CID2960428,,,,,,,,,,,,,,0.0,,,
CC1Cn2c(COc3ccccc3)nnc2S1,CID2973007,,,,,,,0.0,,,,,,,,0.0,,
Cc1ccccc1OCc1nnc2n1CC(C)S2,CID4042187,,,,,,,,,,,,,,,0.0,0.0,
COc1ccccc1NC1=NC2(CCCC2)N=C(N)N1,CID879106,,,0.0,,,,,,,,,,0.0,,,,
CCCCOc1ccc(NC2=NC3(CCCC3)N=C(N)N2)cc1,CID2174924,,,,,,,,,0.0,,0.0,,0.0,,,0.0,
CCOc1ccc2nc(SCC(=O)N3CCCCCC3)c(C#N)cc2c1,CID645085,,,0.0,,,,,0.0,,,0.0,,0.0,,,,0.0
COc1ccc2nc(SCC(=O)N3CCCCCC3)c(C#N)cc2c1,CID650016,0.0,,,,,,,,,,0.0,,,,,,0.0
O=C(NC1CC2CCCC(C1)N2S(=O)(=O)c1ccccc1)c1ccccc1,CID645082,0.0,,,,,,,,,,,,,,,,
Cc1cccc(C(=O)NC2CC3CCCC(C2)N3S(=O)(=O)c2ccccc2)c1,CID3218373,,,,,,,,,,,,0.0,,,,,
CN1CCN(C2=CC(=O)OC23CCCCC3)CC1,CID685177,,,,,,,,,,0.0,,0.0,,,,,
CCOC(=O)N1CCN(C2=CC(=O)OC23CCCCC3)CC1,CID651847,,,,,,,0.0,,,,,0.0,0.0,,,,0.0
O=C1C=CC(NC(=O)c2cccs2)=C/C1=C1\Nc2ccccc2S1,CID6096089,,,,,,,,,,,,,,0.0,,,
Cc1ccsc1C(=O)NC1=C/C(=C2\Nc3ccccc3S2)C(=O)C=C1,CID6098160,,,,,,,,,,,,,,0.0,,,
Cc1cc(=O)n2c(C)n[nH]c2n1,CID665130,,0.0,0.0,,,,,,,,,,,,,,
CCc1c(C)nc2[nH]nc(NC(=O)C(F)(F)F)n2c1=O,CID653831,,,,,,,,,0.0,,,,,,,,
O=C1CC(c2ccccc2)CC(=O)C1=CNc1ccccc1Cl,CID759515,,,,,,,,,,,,,,,0.0,,
CCOc1ccccc1NC=C1C(=O)CC(c2ccccc2)CC1=O,CID760242,,,,,,,,,,,,,,0.0,,,
O=C(Oc1ccc(N(Cc2cccs2)C2=NS(=O)(=O)c3ccccc32)cc1)c1ccccc1Cl,CID990838,,,,,,,,,,,,0.0,,,,,
O=C(Oc1ccc(N(Cc2cccs2)C2=NS(=O)(=O)c3ccccc32)cc1)c1ccccc1,CID1323602,,,,,,0.0,,,,,0.0,,,,,,
CCCN1CCN(CCCNC(=O)C2CCN(c3nnc(-n4cccc4)s3)CC2)CC1,CID3240892,,,0.0,,,,0.0,,,0.0,0.0,0.0,,,,0.0,
CN1CCN(CCCNC(=O)C2CCN(c3nnc(-n4cccc4)s3)CC2)CC1,CID3245798,,,0.0,,0.0,,,,,,,,,,,,
COc1ccc(-n2c(=O)c3c4c(sc3n(CC(=O)NCc3ccco3)c2=O)CCC4)c(OC)c1,CID3240890,,,0.0,,,,,,,,0.0,,,,,0.0,
CCOc1ccc(-n2c(=O)c3c4c(sc3n(CC(=O)NCc3ccco3)c2=O)CCC4)cc1,CID3238810,,0.0,,0.0,,0.0,,,,,,,,,,,0.0
Cc1ccc(CN2CC(C(=O)Nc3ccc4c(C)cc(=O)oc4c3)CC2=O)cc1,CID2997668,,0.0,,,0.0,0.0,,0.0,0.0,,,,0.0,,,,
Cc1cc(=O)oc2cc(NC(=O)C3CC(=O)N(Cc4ccccc4)C3)ccc12,CID4587819,,,,,,,,,,0.0,,,,,,,
COc1cc2c(cc1OC)C(c1cccs1)NCC2,CID2997669,,,,,0.0,,0.0,,,0.0,,,,,,,
COc1cc2c(cc1OC)C(c1cccs1)N(C(=O)C(C)C)CC2,CID3956916,,,,,,0.0,,,,,,,,,,,
COc1cccc(/C=N/Nc2ncnc3scc(-c4ccccc4)c23)c1OC,CID3778647,,,,,,0.0,,,,,,,,0.0,,,
COc1ccc(/C=N/Nc2ncnc3scc(-c4ccccc4)c23)cc1OC,CID3734497,,,,,,0.0,,,,,,,,,,,
CC(=O)c1cccc(NC(=O)Nc2cnn(Cc3ccc(F)cc3)c2)c1,CID2211672,,,,,,0.0,,,,,,,0.0,,,,
CC(=O)c1cccc(NC(=O)Nc2cnn(Cc3ccc(Cl)cc3Cl)c2)c1,CID2211777,,,,,,0.0,,,,,,,,,,,
N#C/C(C(=O)N1CCOCC1)=C1/SC(Cc2ccccc2)C(=O)N1c1ccccc1,CID660390,,,,,,,,0.0,,,,,,,,,0.0
CCCCc1ccc(CC2S/C(=C(\C#N)C(=O)N3CCOCC3)N(c3ccccc3)C2=O)cc1,CID9551644,,,,,,,,,,0.0,,,,,,,
Cc1csc(N(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)c2ccccc2)n1,CID2671884,0.0,0.0,0.0,,0.0,0.0,,,,,0.0,,,,,,
Cc1csc(N(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c2ccccc2)n1,CID4879916,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1c(NC(=O)c2ccco2)sc(C(=O)N2CCCC2)c1C,CID627800,,,,,,,,,,0.0,,,,0.0,,,
COC(=O)c1c(NC(=O)c2ccco2)sc(C(=O)N2CCCC2)c1C,CID644777,,,0.0,0.0,0.0,,,0.0,,,,,0.0,,,,
CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Sc2nncn2C)cc1,CID2321890,,0.0,,,,,,,,,,,,,,0.0,0.0
Cn1cnnc1Sc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1,CID2318694,,,,,,,0.0,,,,0.0,,,,,0.0,0.0
COc1ccc(N2CCN(C(=O)c3ccc(OCC4CCCO4)cc3)CC2)cc1,CID3000006,0.0,0.0,,,0.0,,,,0.0,,,,0.0,,,,
O=C(c1ccc(OCC2CCCO2)cc1)N1CCN(c2ccccc2)CC1,CID2997522,0.0,,,,,,,0.0,,,,,,,,0.0,
O=C(NCCN1CCOCC1)NC1(C(F)(F)F)Oc2ccc(Cl)cc2O1,CID3000005,,,,,,,,,,,,,,,,,0.0
O=C(NCCN1CCOCC1)NC1(C(F)(F)F)Oc2ccccc2O1,CID1179237,,,,,,,,,0.0,,,0.0,,,,,0.0
O=C(COc1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1)NCc1ccccc1,CID1334874,,,,,,0.0,,,,,,,,,,,
CC(NC(=O)COc1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1)c1ccccc1,CID2890163,,,,,,0.0,,,,,,,,,,,
CCc1cccc(NC(=O)CSC2=NS(=O)(=O)c3ccccc32)c1,CID9551294,,,,,,0.0,,,,,,0.0,,,,,
O=C(CSC1=NS(=O)(=O)c2ccccc21)Nc1ccccc1,CID5307202,,,,0.0,,,,,,,,,,,,,
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1C,CID1372150,,,,,,0.0,,,,,,,,,,,
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(C)c3C)C(=O)NC2=S)c(C)c1,CID1895179,,,,,,0.0,,,,,,,,,,,
c1ccc(C2CC3CC(c4ccccc4)N2O3)cc1,CID704394,,,,,,0.0,,,,,,,,,,,
COc1ccc(C2CC3CC(c4ccccc4)N2O3)cc1,CID2729791,,,,,,,,,,0.0,,,,,,,
COc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=O)c1ccc(Br)o1,CID1254469,0.0,,,,,,,,,,,,,,,,0.0
O=C(Nc1cccc(-c2cc3ccccc3oc2=O)c1)c1ccc(Br)o1,CID1142582,,,,,,,,,0.0,,0.0,0.0,,,,,
CC12C(=O)N(Cc3ccco3)C(=O)C1C1c3ccccc3C2c2ccccc21,CID2933224,,,,,,,,,,,0.0,,,,,,
O=C1C2C3c4ccccc4C(c4ccccc43)C2C(=O)N1Cc1ccco1,CID2876237,,,0.0,,,,,0.0,0.0,0.0,,,,,,,
O=C(Cn1c(=O)n(-c2ccccc2)c(=O)n1CC(=O)N1CCCCC1)N1CCCCC1,CID1282759,0.0,,0.0,0.0,,,0.0,,,,,,0.0,,,,
O=C(Cn1c(=O)n(-c2cccc(Cl)c2)c(=O)n1CC(=O)N1CCCCC1)N1CCCCC1,CID1263379,0.0,,,,,,,,,,,,,,,,
O=C(Nc1cccc(-c2cn3ccsc3n2)c1)c1ccccc1,CID752434,,,0.0,,,0.0,,0.0,,,0.0,,,,,,
COc1ccccc1C(=O)Nc1cccc(-c2cn3ccsc3n2)c1,CID752438,0.0,0.0,,,0.0,,0.0,,,,,,0.0,,,,
O=C(NCCc1ccccc1)c1ncn[nH]1,CID1378149,,,0.0,0.0,,,0.0,,,,,0.0,,,,,
O=C(NCCc1ccc(Cl)cc1)c1ncn[nH]1,CID586663,0.0,0.0,,0.0,,,0.0,,,0.0,,,,,0.0,,
S=c1[nH]nc(Cc2c[nH]c3ccccc23)o1,CID775670,,0.0,,0.0,,,,,,,,,,,,,
Cc1[nH]c2ccccc2c1Cc1n[nH]c(=S)o1,CID3817509,,,,,,,,,,,0.0,,,,,,
Cc1ccc2[nH]c3c(NCc4ccco4)ncnc3c2c1,CID663609,,,0.0,,,,,0.0,,0.0,,,,,,,
COc1ccc2[nH]c3c(NCc4ccco4)ncnc3c2c1,CID942803,,,,,,,,,,,,0.0,,,0.0,,
CCCCn1nc(C(=O)N2CCc3ccccc32)c2ccccc2c1=O,CID2102567,,,,,,,0.0,0.0,,,,0.0,0.0,0.0,,,
Cn1nc(C(=O)N2CCc3ccccc32)c2ccccc2c1=O,CID1511250,,,,,,,,,,,,,,0.0,,,
COc1cc(-c2nc3ccccn3c2/N=C/c2cc(OC)c(OC)c(OC)c2)ccc1O,CID1369085,,,,,,,,,,,,0.0,,,,,
COc1cc(-c2nc3ccccn3c2/N=C/c2ccccc2)ccc1O,CID691896,,,,,,0.0,,,,,,0.0,,0.0,,,
CC1CN(c2ccc(Oc3ccccc3)cc2)c2nc3c(c(=O)[nH]c(=O)n3C)n2C1,CID665609,0.0,,,,,0.0,,,,,0.0,,,,,,0.0
CC1CN(c2ccc(Oc3ccccc3)cc2)c2nc3c(c(=O)n(CC(N)=O)c(=O)n3C)n2C1,CID5310359,,,,,,,,,,0.0,,,,,,,
CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(c2ccc(OC)cc2)N2CCOCC2)cc1,CID4587907,,,,,,,,,,,,,,0.0,,,
CC(NC(=O)c1ccc(Cl)cc1Cl)C(c1ccccc1)N1CCOCC1,CID5213189,,,,,,,,,,,,,,,0.0,,
Cc1c(NC(=O)C2(c3ccccc3)CCCC2)c(=O)n(-c2ccccc2)n1C,CID1261944,,,,,,,,,,0.0,0.0,0.0,,,,,
COc1ccc(C2(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)CCCC2)cc1OC,CID1289084,,,0.0,,,,,,,,,,0.0,0.0,0.0,,
CCOC(=O)N1CCC(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3C)o2)CC1,CID5308749,,,,,,0.0,,,,,,,,,0.0,0.0,
CCOC(=O)N1CCC(NC(=O)c2ccc(CS(=O)(=O)c3ccc(OC)cc3)o2)CC1,CID5308941,,,,,,0.0,,,,,0.0,,,,,,
O=C(O)c1cc(NS(=O)(=O)c2cccc3ccccc23)ccc1O,CID962573,,,,,0.0,,,,,,,0.0,0.0,,,0.0,
CC(=O)Nc1ccc(NS(=O)(=O)c2cccc3ccccc23)cc1,CID964618,,,,,,,,,0.0,,,,,,,,
CC(=O)OC1=Cc2c(ccc3ccc(=O)oc23)OC1(C)C,CID886459,,,,,,,,,0.0,,,,,,,,
COC1=Cc2c(ccc3ccc(=O)oc23)OC1(C)C,CID797167,,,0.0,,,,,,0.0,,0.0,,,,,,
Cc1ccc(OCC(=O)Nc2ccc3c(c2)nc2n3CCOC2)cc1,CID667391,,,0.0,0.0,0.0,,,0.0,0.0,,,,,,,,0.0
O=C(COc1ccccc1)Nc1ccc2c(c1)nc1n2CCOC1,CID667151,,,0.0,0.0,0.0,,,,0.0,,,,0.0,,,0.0,
Cc1ccc(/C=N/Nc2ccc(Cl)c(C(=O)O)c2)s1,CID3669063,,,,,,,,,,,,,,,0.0,,
C/C(=N\Nc1cccc(C(=O)O)c1)c1ccc(Cl)s1,CID4306879,,,,,,,,,,,,,,,0.0,,
CCCc1nnc(NC(=O)c2c(O)n3c4c(cccc4c2=O)CCC3)s1,CID646490,,,,0.0,,,0.0,,0.0,,,,0.0,,,,
CC(C)c1nnc(NC(=O)c2c(O)n3c4c(cccc4c2=O)CCC3)s1,CID650003,,,,,,,,0.0,0.0,0.0,0.0,,,,,,0.0
Cc1cccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4cc(C)ccn4)c3C)C2=O)c1,CID1815721,,,,,,,,,,,,0.0,,,0.0,,
Cc1cccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4ccccn4)c3C)C2=O)c1,CID1815725,,,,,,,,,,,,0.0,,,,,
O=C(NCC1CCCO1)c1cc(-c2ccco2)nc2ccccc12,CID2999584,,0.0,,,,0.0,0.0,,,,,,,,,,
Cc1ccc(-c2cc(C(=O)NCC3CCCO3)c3ccccc3n2)o1,CID3532800,,,,,,,,,,,,0.0,,,,,
O=C(O)c1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1,CID2197105,,0.0,,,0.0,,,,0.0,0.0,,,0.0,0.0,0.0,0.0,
COC(=O)c1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1,CID802617,,0.0,,,0.0,,,,0.0,,,,,0.0,0.0,0.0,
Cc1nn2cc(-c3ccc(Cl)cc3)cnc2c1Cl,CID1474425,,,,,,,,,,,,,,0.0,,,
Cc1cc2ncc(-c3ccc(Cl)cc3)c(N)n2n1,CID900288,0.0,,0.0,,,,,,,0.0,,,0.0,0.0,,0.0,
O=C(NCCN1CCOCC1)c1cc2c(=O)n3ccccc3nc2n1Cc1ccccc1,CID667210,,,,0.0,,,,,,0.0,,,,,,,0.0
Cc1cccn2c(=O)c3cc(C(=O)NCCN4CCOCC4)n(Cc4ccccc4)c3nc12,CID666740,0.0,,,,,,,0.0,,,,,,,,,0.0
Cc1c(C(=O)NCC2CCCO2)sc2nc(-c3ccc(F)cc3)cn12,CID5310209,,,,,,,,,,,,,0.0,,,0.0,
Cc1c(C(=O)NCC2CCCO2)sc2nc(-c3ccccc3)cn12,CID5310170,,,,,,0.0,,0.0,,,,,,,,,
CC(C)C(c1nnnn1C1CCCC1)N1c2ccccc2CC1C,CID654995,,,0.0,0.0,,,,,,,,,0.0,,,,
CC(C)C(c1nnnn1C1CCCC1)N1CCc2ccccc21,CID652993,,0.0,,0.0,,0.0,,,,,0.0,,,,,,
NC(=O)CSc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)CCCCC4,CID658507,0.0,0.0,,0.0,0.0,,0.0,,0.0,0.0,,,,,,,
COC(=O)CSc1nnc2n(-c3ccc(OC)cc3)c(=O)c3c4c(sc3n12)CCCCC4,CID658947,,,,,,,,,,,0.0,,,,,0.0,
CCOC(=O)c1ccc(NC(=O)NC2CC3CCC(C2)N3Cc2nnnn2C(C)(C)C)cc1,CID650751,,,0.0,,,,,,,,,,,,,,
CC(C)(C)n1nnnc1CN1C2CCC1CC(NC(=O)Nc1ccccc1)C2,CID648721,,,,,,,,,,0.0,0.0,,,,,,
COC(=O)Cn1ncc2c(C)n(Cc3ccccc3)c(C)c2c1=O,CID5309388,,,,0.0,,,0.0,,,0.0,,0.0,,,,,
CNC(=O)Cn1ncc2c(C)n(Cc3ccc(C)cc3)c(C)c2c1=O,CID3236929,,0.0,,,,,,,,,,,0.0,,,0.0,
CC1CCCC(C)N1CCCNC(=O)Cn1cc2c(n1)CCCC2,CID5309382,,,,,,,,,,,,,0.0,,,,0.0
CC1CCc2nn(CC(=O)NCCCN3CCCCC3)cc2C1,CID5308631,,0.0,0.0,,,0.0,,,,,,,0.0,,,,
O=C(NCc1cccs1)C1CCCN(S(=O)(=O)c2cccs2)C1,CID3238367,,,,,0.0,,,,0.0,,,0.0,,,,,
O=C(NCc1cccs1)C1CCCN(S(=O)(=O)c2ccc(Br)s2)C1,CID3235822,,,,,0.0,,,,0.0,,,,,,,,
CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2N2CCOCC2)cc1,CID2112970,,,,0.0,0.0,,,,0.0,,,,,,,,0.0
CN(CC(=O)Nc1ccccc1N1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1,CID2413278,,,,,,,,,0.0,,0.0,,,,,,
NC(=O)CSc1nnc(Cc2csc(Nc3ccc(F)cc3)n2)n1Cc1ccccc1,CID3190577,,,,,,,,,,0.0,,0.0,,,,,
NC(=O)CSc1nnc(Cc2csc(Nc3ccccc3)n2)n1Cc1ccccc1,CID646705,,0.0,,,,,,,0.0,0.0,,0.0,,,,0.0,0.0
Cc1ccc(C(=O)Oc2ccc(/C=c3/sc4nc5ccccc5n4c3=O)cc2)cc1,CID2270451,,,,,,0.0,,,,,,,,,,,
COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1OC(=O)c1ccc(Cl)cc1,CID1778113,,,,,,0.0,,,,,,,,,,,
CC(C(=O)NCc1ccc2c(c1)OCO2)N1c2cccc3cccc(c23)S1(=O)=O,CID2998040,,,,,0.0,,0.0,,,0.0,,,,,,0.0,
O=C(CN1c2cccc3cccc(c23)S1(=O)=O)NCc1ccc2c(c1)OCO2,CID1810228,,,,,,,0.0,,,,,,,0.0,,,
c1coc(-c2nnc(SCc3cn4ccccc4n3)o2)c1,CID2998042,0.0,0.0,,,0.0,,,,,,0.0,,,,,,
Brc1c(CSc2nnc(-c3ccco3)o2)nc2ccccn12,CID2997840,0.0,,,,,,0.0,,0.0,,,,,,,,
CCS(=O)(=O)N1Cc2ccccc2CC1C(=O)N1CCN(c2cccc(C)c2C)CC1,CID2998045,,,,,0.0,,0.0,,,,,,,,,,0.0
CCS(=O)(=O)N1Cc2ccccc2CC1C(=O)N1CCN(c2ccccc2)CC1,CID2999166,,,0.0,,0.0,,0.0,,,,,,,,,,0.0
CCCCC(CC)Cn1c2nc3ccccc3nc2c2c(=N)oc(C)nc21,CID2998049,,,,,,,,,,,,,,,0.0,,
CCCCn1c2nc3ccccc3nc2c2c(=N)oc(C)nc21,CID2314879,,0.0,,,,,,,,,,,,,,,
Cc1cc(Nc2nc3c(c(=O)n(C)c(=O)n3C)n2C)n(-c2ccccc2)n1,CID2999935,,0.0,,,,,,,,,,,,,,,
Cc1cc(Nc2nc3c(c(=O)n(C)c(=O)n3C)n2C)n(-c2ccc(Cl)cc2)n1,CID3000026,,,0.0,,,,0.0,,,0.0,,,,,,,
COc1cc(/C=C2\SC(=S)N(N3CCOCC3)C2=O)cc(OC)c1OC,CID1853525,,,,,,,,,,,,,,0.0,,,
COc1cccc(/C=C2\SC(=S)N(N3CCOCC3)C2=O)c1OC,CID1845809,,,,,,,,,,,,,,,0.0,,
O=c1c2cc(N3CCOCC3)ccc2[nH]c(=S)n1Cc1ccco1,CID3243484,,,,,,,,0.0,,,,,,,,,
Cc1ccc(Cn2c(=S)[nH]c3ccc(N4CCOCC4)cc3c2=O)o1,CID3238691,,,0.0,,,,,,,,0.0,,,,,,
CCN(Cc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccccn2)Cc2ccco2)cc1,CID1168576,,,,,,,,,,,0.0,,,,,,
O=S(=O)(NCc1ccccc1)c1ccc(S(=O)(=O)N(Cc2ccccn2)Cc2ccco2)cc1,CID655016,,,0.0,,,,,,,,0.0,,,,,,
COc1ccc(-c2oc(NC(=O)CCl)c(C#N)c2-c2ccc(OC)cc2)cc1,CID2382936,,,,,,0.0,,,,,,,,0.0,,,
COc1ccc(-c2oc(NC(C)=O)c(C#N)c2-c2ccc(OC)cc2)cc1,CID2305048,,,,,,0.0,,,0.0,0.0,,0.0,,0.0,,,
N#Cc1ccccc1Cn1c(=O)n(CCC(=O)NCc2ccco2)c(=O)c2ccccc21,CID3236536,0.0,,,,,,,,0.0,,0.0,,,,,,
Cc1ccc(C)c(Cn2c(=O)n(CCC(=O)NCc3ccco3)c(=O)c3ccccc32)c1,CID3243303,0.0,,,,,,,0.0,0.0,,,,,,,,
O=C(N/N=C/c1cccc(F)c1)c1csc2c1CCCC2,CID831709,,,,,,0.0,,,,,,,,,,,
O=C(N/N=C/c1ccccc1F)c1csc2c1CCCC2,CID841586,,,,,,0.0,,,,,,,,,,,
COc1ccc(CCNC(=O)c2ccncc2)cc1OC,CID831704,,,,,0.0,,0.0,,,0.0,,,,,,0.0,
O=C(NCCc1ccccc1)c1ccncc1,CID834797,,,,0.0,,0.0,,,,0.0,,0.0,,,0.0,0.0,
Cc1cc(NC(=O)c2cc(-c3cccs3)on2)nn1Cc1ccc(Cl)cc1,CID3236539,0.0,,0.0,0.0,0.0,0.0,,,,,0.0,0.0,0.0,,,,0.0
Cc1ccc(Cn2ccc(NC(=O)c3cc(-c4cccs4)on3)n2)cc1,CID3236204,0.0,,0.0,,0.0,,,0.0,,,,,,,,0.0,0.0
CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C1CC1,CID742164,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1c(-c2cccc([N+](=O)[O-])c2)csc1NC(=O)C1CC1,CID1179587,,,,,,,,,,,,,,0.0,,,
O=C1c2ccccc2C(Nc2ccc(Cl)cn2)N1c1ccccn1,CID5307369,0.0,0.0,,,,,,,,,,,,,0.0,0.0,
Cc1ccc(N2C(=O)c3ccccc3C2Nc2ccc(Br)cn2)nc1,CID5307956,0.0,,,,,,,,,,0.0,,,,,0.0,
CCN1CCCc2cc(CN(CCN3CCOCC3)C(=O)Nc3ccc(C)c(C)c3)ccc21,CID9550493,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(NC(=O)N(CCN2CCOCC2)Cc2ccc3c(c2)CCCN3CC)cc1,CID3242983,,,,,,,,,,,,,0.0,,,,
O=C(CCl)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1,CID4985764,,,,,,,,,,,,,,,0.0,,
O=S(=O)(c1ccc(N2CCOCC2)cc1)N1CCOCC1,CID2950930,,,0.0,,,,,,,,,,,,,,0.0
O=c1cc(NCC2CCCO2)[nH]c(=O)n1-c1ccc(Cl)cc1,CID3241883,0.0,,,0.0,,,,,,,,0.0,,,,0.0,0.0
Cc1ccccc1-n1c(=O)cc(NCC2CCCO2)[nH]c1=O,CID3239383,,0.0,,,,,0.0,,,,,,,,,,
Cc1ccc(-c2noc(CCC(=O)NCCCN3CCN(c4cccc(Cl)c4)CC3)n2)cc1,CID3237661,0.0,,,,,,,,,,,,0.0,,,,
Cc1ccc(-c2noc(CCC(=O)NCCCN3CCN(c4ccc(F)cc4)CC3)n2)cc1,CID3242385,,,0.0,,,,,,,,,0.0,0.0,,,,
COc1ccc2nc(NC(=O)CCc3nc(-c4ccccc4F)no3)sc2c1,CID3241885,0.0,,,0.0,0.0,,,,,,,,0.0,,,,
COc1ccc(-c2noc(CCC(=O)Nc3nc4ccccc4s3)n2)cc1,CID3245948,,0.0,,,0.0,,,0.0,,,,,,0.0,0.0,0.0,
COC(=O)C1=CN(C2CC2)C=C(C(=O)OC)C1c1ccccc1OC,CID616915,,,,,,,,,,,,,0.0,,,,
COC(=O)C1=CN(C2CC2)C=C(C(=O)OC)C1c1ccc(C(=O)OC)cc1,CID616871,,,,,,,,0.0,,,,,0.0,,0.0,,
O=C(Nc1nc2c(s1)CCCC2)c1ccc(Br)s1,CID1245777,,,,,,,,,0.0,,,,,,,,
O=C(Nc1nc2c(s1)CCCC2)c1cccs1,CID645083,,,,0.0,0.0,,0.0,,,,,,,0.0,,,
CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCC3CCCO3)c21,CID3244346,,,,,,,0.0,,,,,,,,,,
CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCC3CCCO3)c21,CID3242138,,,,,,,,,0.0,,0.0,,,,,0.0,
O=C1C2C(Cc3ccc(O)cc3)NC3(C(=O)Nc4ccccc43)C2C(=O)N1c1ccc(F)cc1,CID5390035,,,,,,,0.0,,,,,,,,,,
O=C1C2C(Cc3ccc(O)cc3)NC3(C(=O)Nc4ccc(F)cc43)C2C(=O)N1c1ccccc1,CID666290,,,,,,,0.0,,,,,,0.0,,,,
CCn1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)c2ccccc21,CID1003022,,,,,,0.0,,,,,,,,,,,
C=CCn1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)c2ccccc21,CID1003016,,,,,,0.0,,,,,,,,,,,
COCCn1c(C)cc(C(=O)COc2cccnc2[N+](=O)[O-])c1C,CID4355998,,,,,,,,,,,,,,0.0,,,
COCC(C)n1c(C)cc(C(=O)COc2ccc(C)nc2[N+](=O)[O-])c1C,CID3432739,,,,,,,,,,,,,,,0.0,,
O=C(OCc1ccccc1)c1cccc(-c2nnc(-c3ccccc3)o2)c1,CID1286674,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1cccc(COC(=O)c2cccc(-c3nnc(-c4ccccc4)o3)c2)c1,CID1249317,,,,,,,,,,,,,,0.0,0.0,,
O=C(COc1ccccc1C(=O)c1cnn(-c2ccccc2)c1)Nc1ccccc1,CID2079168,,,,,,,,,,,,,,0.0,,,
COc1ccccc1NC(=O)COc1ccccc1C(=O)c1cnn(-c2ccccc2)c1,CID2079171,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C1=C(C)N(C2CCCCC2)C(=O)C1,CID797670,,,,,,0.0,0.0,0.0,0.0,0.0,0.0,,0.0,0.0,0.0,,0.0
COC(=O)C1=C(C)N(C2CCCCC2)C(=O)C1,CID2905007,,,,,,0.0,,,0.0,,0.0,,,,,,
COc1ccc(C2NC(C(=O)O)Cc3c2[nH]c2ccccc32)cc1OC,CID262698,,,,,,,,,,,,0.0,,,,,
CCc1ccc(C2c3[nH]c4ccccc4c3CCN2C(=O)CNC(N)=O)cc1,CID16190896,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)N2CCN(c3nc(C(C)C)c4c(c3C#N)CC(C)(C)OC4)CC2)cc1,CID664864,,,,,,,,0.0,,,,,0.0,,,,
Cc1ccc(S(=O)(=O)N2CCN(c3nc(C)c4c(c3C#N)CC(C)(C)OC4)CC2)cc1,CID658135,,,0.0,,,,,0.0,,,,,,,,,0.0
Cc1c(C(=O)NC(C)C)oc2c1-c1[nH]ncc1CC2,CID3240910,,0.0,,,,,,,,,,0.0,,,,,
O=C(O)Cn1ncc2c1-c1ccoc1CC2,CID5309967,,,,,,,,0.0,,,,,,,,,
CC(C)(C)NC(=O)/C(=C/c1ccco1)c1ccccc1,CID881434,,,,,,0.0,,,,,,,,0.0,,,
CC(C)NC(=O)/C(=C/c1ccco1)c1ccccc1,CID2282851,,,,,,0.0,,,,,,,,,,,
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)c3ccc(Cl)s3)n2C)c1,CID2094371,,,,,0.0,,,,0.0,,,0.0,,,,,
C=CCn1c(SCC(=O)c2cccs2)nnc1-c1cccc(OC)c1,CID3242703,0.0,0.0,,,0.0,,,,,,0.0,,,,,,
COc1c2occc2c(OC)c2c(=O)cc(C(F)(F)C(F)(F)F)oc12,CID1323630,,,,,,,,,,,,,,,,,0.0
COc1c2occc2c(OC)c2c(=O)cc(C)oc12,CID3828,,,,,,,,,,,0.0,,,0.0,,0.0,
CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1,CID1107779,,,,,,,,,,0.0,,,,,,,
Cc1ccc(CN(c2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2)S(C)(=O)=O)cc1,CID2927817,,,,,,,,,,0.0,0.0,,,,,,
CCOC(=O)C1CCCN(C(=O)COc2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2)C1,CID3412128,,,,,,,,,,,,,,,0.0,,
Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)N2CCCCC2)cc1,CID1260980,,,,,,,,,,,,,,0.0,,,
CCCC(=O)N1c2ccccc2C(=C2SC(C(=O)OC)=C(C(=O)OC)S2)C(=S)C1(C)C,CID3125473,,,,,,,,,0.0,,,,,,,,
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)CC(C)C)c3ccccc32)S1,CID2840223,,,,,,,,,0.0,,,,,0.0,0.0,,
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC(C(=O)NCc3ccco3)C(C)C)CC2)cc1,CID662411,,,0.0,,0.0,,,0.0,,,0.0,,0.0,,,,0.0
CSCCC(NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C(=O)NCc1ccco1,CID662300,,,,,0.0,,,,,,,,0.0,,,0.0,
CS(=O)(=O)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1,CID662478,,,,0.0,,,0.0,0.0,,,0.0,,,0.0,,0.0,0.0
Cc1ccc(-c2nnc(N3CCN(S(C)(=O)=O)CC3)c3ccccc23)cc1,CID2952321,0.0,0.0,,,,,0.0,,,,0.0,,,,,0.0,
CC(C)c1nc(-c2ccccn2)no1,CID662473,,,,,,,,,,,,,,,0.0,,
CC(C)(C)Cc1nc(-c2ccccn2)no1,CID750624,,,,,,,,0.0,,0.0,,,,,,0.0,
CCOc1ccc(C(=O)NCC(=O)OC2CCOC2=O)cc1OCC,CID4123188,,,,,,,,,,0.0,0.0,0.0,,,,,
COc1cc(OC)cc(C(=O)NCC(=O)OC2CCOC2=O)c1,CID2999150,,,,0.0,0.0,,,0.0,,,,,,,,,
Cc1ccc(C(=O)CSc2nccn2-c2ccccc2)cc1,CID4297783,,,,,,,,,,,,,,0.0,,,
O=C(CSc1nccn1-c1ccccc1)c1ccc(Cl)cc1,CID3755487,,,,,,0.0,,,,,,,,,,,
CC1(C)Cc2ccccc2C(CSc2ccccc2C(=O)O)=N1,CID711933,,,,,,,,,,,,,,0.0,,,
COc1cc2c(cc1OC)C(CSc1ccccc1C(=O)O)=NC(C)(C)C2,CID1121308,,,,,,,,,,,,,,,0.0,,
O=C(Nc1nc2c(s1)CCc1ccccc1-2)c1cccs1,CID654428,,,,,0.0,,,,,,,,0.0,,,,
COc1ccc2c(c1)-c1nc(NC(=O)c3cccs3)sc1CC2,CID750885,,,0.0,,0.0,,,,,,,,0.0,,,,
Cn1cc(CNC(=O)C2CCCCC2)cn1,CID1246452,,,,0.0,,,,,,,,,0.0,,,0.0,
CN(Cc1cnn(C)c1)C(=O)C1CCCCC1C(=O)O,CID3361482,,,,,,,,,,,0.0,0.0,,,,,
O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)N1c2ccccc2CCc2ccccc21,CID1155282,,,,,,0.0,,,,,0.0,,,0.0,,,
O=C(CSc1nnc(COc2ccc(F)cc2)o1)N1c2ccccc2CCc2ccccc21,CID654722,0.0,,,,,,,0.0,,0.0,,,0.0,,,,0.0
COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1,CID2242096,,,,,,,,,,,,,,,0.0,,
O=S(=O)(c1ccccc1)N1CCC2(CC1)OCCO2,CID735890,,,,,,,,,,,,,,0.0,,,
COc1ccc(CN(Cc2ccccn2)S(=O)(=O)c2ccc(-n3cnnn3)c(OC)c2)cc1,CID654484,0.0,,0.0,,,,,,,,0.0,,,,,,0.0
COc1ccc(CN(Cc2ccccn2)S(=O)(=O)c2ccc(-n3cnnn3)cc2)cc1,CID648846,0.0,0.0,,,0.0,,,0.0,0.0,,,,,,,,0.0
C#CCSc1nc2ccccc2n1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1,CID2861669,,,,,,,,,,,,,,0.0,0.0,,
CCSc1nc2ccccc2n1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1,CID1539700,,,,,,,,,,,,,,0.0,,,
CC(=O)OC1C(OC(=O)CC(C)C)c2c(ccc3ccc(=O)oc23)OC1(C)C,CID72414,,,,,,,,,,,,,,0.0,,,
CC(=O)OC1c2c(ccc3ccc(=O)oc23)OC(C)(C)C1OC(=O)CC(C)C,CID2841560,,,,,,,,,,0.0,,,,,,,
O=C(c1cccs1)c1cn(Cc2ccccc2Cl)c2ccccc12,CID1291961,,,,,,,,,,0.0,,0.0,,0.0,,,
N#Cc1ccccc1Cn1cc(C(=O)c2cccs2)c2ccccc21,CID977306,,,0.0,0.0,,,,,,,,,0.0,,,0.0,
CC1Cc2ccccc2N1CC(=O)NC(=O)NCc1ccco1,CID2998539,,,,0.0,0.0,,,,,,,,,,,,
O=C(CN1CCc2ccccc21)NC(=O)NCc1ccco1,CID2161090,0.0,,,,,,,,,,,,0.0,,,,
CCOc1cc(C(=O)OCC(=O)c2c(C)[nH]c3ccccc23)ccc1OCC(=O)N1CCOCC1,CID2998533,,,0.0,,,,,,0.0,0.0,0.0,,,,,,
COc1cc(C(=O)OCC(=O)c2c[nH]c3ccccc23)ccc1OCC(=O)N1CCOCC1,CID2998070,,,,,,,0.0,0.0,,,,,,,,,
O=C(CN1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1)NCc1ccc2c(c1)OCO2,CID647439,0.0,,,,,,,,,,,,,,,,
O=C(CN1CCN(c2nc(-c3ccccc3)cs2)CC1)NCc1ccc2c(c1)OCO2,CID649023,0.0,,,,,,,0.0,,,,,,,,,
Cc1ccccc1NC(=O)N1C2CCCC1CC(NC(=O)C1CC1)C2,CID647431,0.0,,,,,,,,,,,,,,,,0.0
CCOc1ccccc1NC(=O)N1C2CCCC1CC(NC(=O)C1CC1)C2,CID653203,0.0,,0.0,,,,,,,,,0.0,,,,,0.0
CC1=NN(C(=O)COc2ccc(C)c(C)c2)C(O)(c2ccc(Cl)cc2)C1,CID3767612,,,,,,,,,,,,,,,0.0,,
CC1=NN(C(=O)COc2ccccc2)C(O)(c2ccccc2)C1,CID2859056,,,,,,,,,,,,,,0.0,0.0,,
COc1cccc(Nc2nc(-c3cccs3)nc3ccccc23)c1,CID2446351,,,,,,,,,,,,,,0.0,,,
COc1ccc(Nc2nc(-c3cccs3)nc3ccccc23)cc1,CID2473040,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)Nc2ccc(F)c(-c3c(O)ccc4c3OCO4)c2)cc1,CID16072245,,,,,,,,1.0,,,,,,,,,
N#Cc1cc(S(=O)(=O)Nc2ccc(F)c(-c3c(O)ccc4c3OCO4)c2)ccc1F,CID16072278,,,,,,,,1.0,,,,,,,,,
COc1ccc(C2C(C(=O)Nc3cc(C)on3)c3ccccc3C(=O)N2C)cc1,CID3241531,,,,,0.0,0.0,,,0.0,,,,,,,0.0,
COc1ccc(C2C(C(=O)Nc3cc(C)on3)c3ccccc3C(=O)N2C)cc1OC,CID3243956,,,0.0,,0.0,0.0,,,,,,,0.0,,,0.0,
O=C(Nc1cc(C(=O)N2CCCC2)ccc1N1CCCC1)c1ccccc1F,CID2226399,,,0.0,,,,,0.0,,0.0,,,,,,,0.0
O=C(Nc1cc(C(=O)N2CCCC2)ccc1N1CCCC1)c1ccccc1,CID989373,,,0.0,0.0,,,,,,0.0,0.0,,,,,,
Cc1cc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)no1,CID2090852,,,0.0,,0.0,,,,,0.0,0.0,,,0.0,,0.0,
COc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3cc(C)on3)cc2)cc1,CID2408930,,,0.0,,0.0,,,,,0.0,0.0,,,,,,
COc1ccc2[nH]c(=O)c(CN(C(=O)NC3CCCCC3)C3CCCC3)cc2c1,CID651327,0.0,,0.0,,,0.0,,,,,,0.0,0.0,,,,0.0
COc1cc2cc(CN(C(=O)NC3CCCCC3)C3CCCC3)c(=O)[nH]c2cc1OC,CID655813,0.0,,,,,,,0.0,,,,,,,,,0.0
COC(=O)c1cccc(NC(=O)NC2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c1,CID2999611,0.0,,,0.0,0.0,,,,0.0,,,,0.0,,,,0.0
Cc1ccc(NC(=O)NC2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1,CID2930188,,,,,,,,,,,0.0,0.0,,,,,
CCCCOc1nc2ccccc2nc1C(C#N)C(=O)NC1CCCCC1,CID660658,,,,,,,,0.0,,0.0,,0.0,0.0,,0.0,,
CC(C)COc1nc2ccccc2nc1C(C#N)C(=O)NC1CCCCC1,CID660720,,,,0.0,,0.0,,,,,,,0.0,,,,
Cc1ccc(NC(=O)CSc2nccn2Cc2ccccc2)cc1C,CID4885101,,,,,,0.0,,,,,0.0,,,,,,
CC(=O)Nc1ccc(NC(=O)CSc2nccn2Cc2ccccc2)cc1,CID1260040,,0.0,,,0.0,,0.0,,,,0.0,,0.0,,,0.0,0.0
Cc1cccc(N2CCN(C(=O)C3CCN(c4nnc(-n5cccc5)s4)CC3)CC2C)c1,CID5308596,0.0,,,,,,,,,,,,,,0.0,,
O=C(C1CCN(c2nnc(-n3cccc3)s2)CC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1,CID3240265,0.0,,,,0.0,,,,,,,0.0,,,,,
CCn1c(=O)c2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)sc2c2ccccc21,CID5308590,,,,,,,0.0,,,,,,,,,,
Cc1ccc2[nH]c(=O)c3cc(C(=O)N4CCN(C(=O)c5ccco5)CC4)sc3c2c1,CID6324544,,,,0.0,,,,,,,,,,,,,
CCOC(=O)C1CCCN(C(=O)c2ccc(CNc3c(N4CCC(C)CC4)c(=O)c3=O)cc2)C1,CID5308598,,,,,,,,0.0,,,,,,0.0,,,
CC1CCCN(C(=O)c2ccc(CNc3c(N4CCCCC4)c(=O)c3=O)cc2)C1,CID11957194,,,,,,,,,,,,0.0,,,,,
CCN(CC(=O)NCc1ccc(F)cc1)Cc1nc(=O)c2ccccc2[nH]1,CID2524803,,,,,,0.0,,0.0,,,,,0.0,,0.0,0.0,
CC(NC(=O)CN(C)Cc1nc(=O)c2ccccc2[nH]1)c1ccccc1,CID3374357,,,,,,0.0,,,,,,,,,,,
O=S(=O)(N1CCCCC1)N1CCN(c2ccc(F)cc2)CC1,CID973778,,0.0,,,,,0.0,0.0,,,,,,,,,
Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)N2CCCCC2)CC1,CID991660,,,,,,,,,,,,,,0.0,,,
COC(=O)c1cccnc1-n1c(=O)c2cccnc2n(Cc2cccc(OC)c2)c1=O,CID5309646,0.0,,,,,,,,,,,,,0.0,,,
COC(=O)c1cccnc1-n1c(=O)c2cccnc2n(Cc2ccc(Cl)cc2)c1=O,CID3238339,,0.0,0.0,,,,,,,,,,,,,0.0,0.0
COc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)o2)cc1,CID5309649,,,,,,,,0.0,,,,,,,,,
Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)o2)cc1,CID5307987,,,,0.0,,,,,,,,,,,,0.0,
CCOC(=O)c1sc(C)c2c1NC(C)(c1ccccc1)NC2=O,CID2915017,,,,,,,,,,,0.0,,,,,,
CCOC(=O)c1sc(C)c2c1NC(c1ccc(N(C)C)cc1)NC2=O,CID3450605,,,,,,,,,,,,0.0,,,,,
Cc1cc(C(=O)CSc2nnnn2-c2ccc(O)cc2)c(C)n1C,CID2108231,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nnnn1-c1ccccc1,CID2998849,,0.0,,,,,,0.0,,,0.0,,0.0,,,,
Cc1cccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)c1,CID1226739,,,,,,,,,,,,0.0,,,,,
Cc1ccccc1C(=O)NC(=S)Nc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1,CID4778284,,,,,,,,,,,,,,0.0,,,
CCOc1ccccc1NC(=O)C1Cc2ccccc2CN1S(C)(=O)=O,CID3236475,,,,,,0.0,,,,,,,,,,,
CS(=O)(=O)N1Cc2ccccc2CC1C(=O)Nc1ccccc1C(N)=O,CID3235878,,,0.0,,,,,,,,,,,,,0.0,
COC(=O)c1cc2oc(C)cc2n1CC(=O)N1CCCc2ccccc21,CID3236476,0.0,,0.0,,,,0.0,,,,,,,,,,0.0
CCOC(=O)c1cc2occc2n1CC(=O)N1CCCc2ccccc21,CID653559,0.0,,,,,0.0,0.0,0.0,0.0,,0.0,,0.0,,,,0.0
Cc1nnc2ccc(N3CCOCC3)nn12,CID869626,,,,,,,,,,,,0.0,,,,,
FC(F)(F)c1nnc2ccc(N3CCOCC3)nn12,CID692461,,,,,,,,,0.0,,,,,,,,
O=c1c2ccccc2ncn1CCCSc1ccc(Cl)cc1,CID2296689,,,,,,0.0,,,,,,,,,,,
Cc1ccc(SCCCn2cnc3ccccc3c2=O)cc1,CID2994115,,,,,,,,,,,,0.0,,,,,
CC1(C)Cc2c(sc3nc(SCC(=O)NCc4ccco4)n(-c4ccccc4)c(=O)c23)CS1,CID660926,,,,,0.0,,0.0,,0.0,,,,,,0.0,,
Cc1ccc(-n2c(SCC(=O)NCc3ccco3)nc3sc4c(c3c2=O)CC(C)(C)SC4)cc1,CID1925774,,,,,,,,,0.0,,0.0,,,,,,
O=C(NCCCn1ccnc1)C1CC2CCC1C2,CID2932382,,,,,,,,,,0.0,,,,,,,
O=C(O)C1C2CCC(C2)C1C(=O)NCCCn1ccnc1,CID3244763,,,,,,,,,,,,,,,,0.0,0.0
CCc1c(C)[nH]c(N/C(=N/C(=O)c2ccccc2)Nc2ccccc2OC)nc1=O,CID1625203,,0.0,0.0,,,,,,0.0,,0.0,,,,,0.0,
COC(=O)Cc1cc(=O)nc(N/C(=N/C(=O)c2ccccc2)Nc2ccccc2C)[nH]1,CID2947960,,0.0,0.0,,,,0.0,,,,,,0.0,,,0.0,
O=C(C1CCCO1)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1,CID2928615,,,,,0.0,0.0,,,,,,,,,0.0,0.0,
Cc1ccc2nsnc2c1S(=O)(=O)N1CCN(C(=O)C2CCCO2)CC1,CID3236408,,0.0,,0.0,0.0,,,,,,0.0,,0.0,,0.0,0.0,0.0
COc1ccc(CC(=O)N(Cc2cc3cc(OC)ccc3[nH]c2=O)C(C)C)cc1,CID665282,0.0,0.0,0.0,,,,0.0,,0.0,,,,,,,,
CCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)Cc1ccc(OC)cc1,CID665206,,0.0,0.0,,,,,,0.0,0.0,,0.0,0.0,,,,
Cc1nn2c3c(cnc2c1-c1ccc(Cl)cc1)C(=O)CC(c1ccco1)C3,CID666934,0.0,,0.0,,0.0,,,,,,,,,,,,0.0
Cc1nn2c3c(cnc2c1-c1ccccc1)C(=O)CC(c1ccco1)C3,CID667097,0.0,0.0,,0.0,0.0,,,0.0,0.0,,0.0,,0.0,,,,
CCOC(=O)CSc1nnc(CNC(=O)Cc2ccccc2)n1-c1ccccc1OC,CID2159359,0.0,,0.0,,,,0.0,,,,,,0.0,,,,
COC(=O)CSc1nnc(CNC(=O)Cc2ccccc2)n1-c1ccccc1OC,CID2159358,0.0,,0.0,0.0,0.0,0.0,,0.0,,,0.0,,0.0,,,0.0,0.0
CCC(C(=O)NC(C)CCc1ccco1)n1nc(C)n2c(cc3occc32)c1=O,CID3238987,,,,,0.0,,,0.0,,,,,,,,,
CCc1nn(C(C)C(=O)NC(C)CCc2ccco2)c(=O)c2cc3occc3n12,CID3244526,,,,,0.0,,0.0,,,,,,,,,,0.0
Cn1sc(NC(=O)c2ccccc2)nc1=O,CID1486935,,,,,,0.0,,,,,,0.0,,,,,
Cc1ccc(C(=O)Nc2nc(=O)n(C)s2)cc1,CID1486937,,,,,,,,,,,,0.0,,,,,
COc1ccc(-c2noc(CN3C(=O)c4ccccc4C3=O)n2)cc1,CID666937,,,,0.0,,,,,0.0,,,,0.0,0.0,,,
O=C1c2ccccc2C(=O)N1Cc1nc(-c2ccccc2)no1,CID973281,,0.0,0.0,0.0,,,,0.0,,,,,0.0,,,,
Cc1ccc(CNC(=O)C2CNc3cc(C)ccc3O2)cc1,CID3238283,0.0,,,0.0,,0.0,,,,0.0,,0.0,,,,,
Cc1ccc2c(c1)NCC(C(=O)NCc1ccccc1)O2,CID3606561,0.0,,,0.0,,,,,,,,,,,,,
COc1cc(SC)ccc1C(=O)Nc1ccc2c(c1)CCN2S(C)(=O)=O,CID602438,,,,,0.0,,,,,0.0,0.0,,,,,,
CC(=O)N1CCc2cc(NC(=O)c3ccc(C)cc3)ccc21,CID847775,,0.0,,,0.0,,,0.0,,0.0,,,0.0,0.0,,,0.0
CCCCn1nc(C(=O)NC2=NCCS2)c2ccccc2c1=O,CID2117104,,0.0,,0.0,,,,0.0,0.0,,0.0,0.0,,,,0.0,
CCn1nc(C(=O)NC2=NCCS2)c2ccccc2c1=O,CID2088312,,0.0,,,,0.0,,,,0.0,,0.0,,,,,
O=C(COc1ccc(Cl)cc1)Nc1cccc(-c2nc3ccccc3s2)c1,CID1363705,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)COc1ccccc1[N+](=O)[O-],CID1364145,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1c(CN2CCC(C)CC2)oc2ccc(OC)cc12,CID627401,,,0.0,,,,,0.0,,,,,,,,,
CCOC(=O)c1c(CN2CCCCC2)oc2ccc(OC)cc12,CID38727,,,,,,,,,,,,,0.0,,,,
CCOc1ccc(CC(=O)Nc2sc(Cc3ccccc3)c(C)c2C(N)=O)cc1OCC,CID1293810,,,,,,0.0,,,,,,,,,,,
COc1ccc(CC(=O)Nc2sc(Cc3ccccc3)c(C)c2C(N)=O)cc1,CID1010410,,,,,,0.0,,,,,,,,,,,
CN(C)c1ccc(-c2ccccc2)nn1,CID645991,,,,,,0.0,,0.0,,,,,,,0.0,,
CCOCCCNc1ccc(-c2ccccc2)nn1,CID648956,,0.0,,,,,,,,,,,0.0,,,0.0,
C/C(=N\NC(=O)c1csc(C)c1C)c1ccc(Cl)s1,CID842532,,,,,,,,,,,,,,,0.0,,
Cc1scc(C(=O)N/N=C/c2ccc(Cl)s2)c1C,CID842580,,,,,,,,,,,,,,,0.0,,
O=C(CN(C(=O)CSc1nc2ccccc2o1)c1cccc(F)c1)NC1CCCCC1,CID3216052,,,,,,0.0,,,,,,0.0,,,,,
O=C(CN(C(=O)CSc1nc2ccccc2o1)c1ccccc1)NC1CCCCC1,CID3216049,,,,,,0.0,,,,,,,,,,,
COc1ccc(C2=C/C(=C/c3cccnc3)C(=O)O2)cc1OC,CID5407596,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C2=C/C(=C/c3cccnc3)C(=O)O2)c(C)c1,CID1732986,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)nc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)n1,CID661208,0.0,,,,,,,,,,,,0.0,,0.0,0.0,
Cc1cc(C)nc(NC(=O)c2c(-c3ccccc3Cl)noc2C)n1,CID717543,0.0,0.0,,,,,0.0,,,0.0,,,,,0.0,0.0,
CC1CCN(S(=O)(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1,CID1456414,,,,,,,,,0.0,,,,,,,,
O=S(=O)(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCCCC1,CID1456422,,,,,,,,,0.0,0.0,0.0,,,,,,
COc1cc(C(C)=O)ccc1OC(=O)c1cc2cccc(OC)c2oc1=O,CID2147593,,,,,,,,,,,,,,,0.0,,
CC(=O)c1ccc(OC(=O)c2cc3ccccc3oc2=O)cc1,CID712667,,,,,,,,,,,,,,,0.0,,
O=C(CSc1nc(-c2ccc(F)cc2)cs1)N1CCN(C(=O)c2ccco2)CC1,CID2591316,,,,0.0,0.0,,,,,,0.0,,,,,,
O=C(CSc1nc(-c2ccccc2)cs1)N1CCN(C(=O)c2ccco2)CC1,CID2574326,,,0.0,,,,,,,,,,,,,,
Cc1csc(SCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)n1,CID4781030,,,,,,,,,0.0,,,,,,,,
Cc1csc(SCC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)n1,CID9551933,,,,,,,,,,,,,,0.0,,,
Cc1cccc(OCC(=O)N2CCC(c3ccccc3)C2)c1,CID2910597,0.0,0.0,,,,,,,,,,0.0,,,,,
O=C(COc1ccc(Br)cc1)N1CCC(c2ccccc2)C1,CID2907732,,,,,,,,,0.0,,0.0,0.0,,,,,
O=C(CN(CCc1ccccc1)C(=O)CNS(=O)(=O)c1ccccc1)NCC1CCCO1,CID651310,,,0.0,,0.0,,0.0,0.0,0.0,,0.0,,,,,,0.0
O=C(CN(CCc1ccccc1)C(=O)CNS(=O)(=O)c1ccc(F)cc1)NCC1CCCO1,CID647577,,,,0.0,0.0,,,0.0,0.0,,,,,,,,
O=C(COC(=O)C(O)c1ccccc1)NC12CC3CC(CC(C3)C1)C2,CID2997923,,,,,,,0.0,0.0,0.0,,0.0,,,,,0.0,0.0
O=C(COC(=O)Cc1ccccc1)NC12CC3CC(CC(C3)C1)C2,CID3502663,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)n2cc(CSCc3ccco3)nc2n1,CID2997928,,,,0.0,,,,,,,,,0.0,,,,0.0
c1coc(CSCc2cn3cccnc3n2)c1,CID2998981,,0.0,0.0,0.0,,,,,,,,,,,,,0.0
COc1ccc(-c2nc(C)ncc2/N=N/c2ccccc2)cc1,CID3484015,,,,,,0.0,,,,,,,,,,,
Cc1ncc(/N=N/c2ccccc2)c(-c2ccccc2)n1,CID3770358,,,,,,0.0,,,,,,,,,,,
CCOC(=O)N1CCN(c2nc(SC)nc3sc4c(c23)CC(C)(C)OC4)CC1,CID664170,,,,,0.0,,,,,0.0,,,,,,0.0,0.0
CCN1CCN(c2nc(SC)nc3sc4c(c23)CC(C)(C)OC4)CC1,CID664800,,,,,0.0,,0.0,,,0.0,,,,,,,
O=C(Nc1ccc(F)cc1)c1ccccc1NS(=O)(=O)N1CCCC1,CID1252026,,,,,,,,,,,,,,0.0,,,
COc1ccccc1NC(=O)c1ccccc1NS(=O)(=O)N1CCCC1,CID1252535,0.0,,0.0,0.0,0.0,,,,,,0.0,,,0.0,0.0,0.0,
N#Cc1ncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)nc1C#N,CID9542901,,,,,,,,,,,,,,0.0,,,
N#Cc1cncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)n1,CID7315429,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C(=O)NCCCn2ccnc2)cn1,CID2939932,,,,,,,,,0.0,,,0.0,,0.0,,,
O=C(NCCCn1ccnc1)c1cccnc1,CID664931,,0.0,,,,,,,0.0,,,,,0.0,,,
Cc1nc2cc(C(=O)OCC(=O)NC3CCS(=O)(=O)C3)ccc2n1-c1ccccc1,CID3983570,,,,,,,,,,,,,,0.0,,,
Cc1nc2cc(C(=O)OCC(=O)N(CC(C)C)C3CCS(=O)(=O)C3)ccc2n1-c1ccccc1,CID2998465,,,,0.0,0.0,0.0,,,,,0.0,,,,,,0.0
O=C1c2cccc3cccc(c23)C(=O)N1OS(=O)(=O)c1ccccc1,CID3103607,,,,,,,,,,,,0.0,,,,,
Cc1ccc(S(=O)(=O)ON2C(=O)c3cccc4cccc(c34)C2=O)cc1,CID2264449,,,,,,,,,,,,,,,0.0,,
COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1OC,CID3238936,,,,,0.0,,,0.0,,,,,,,,,
CCOc1ccc(CCNC(=O)C2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1OCC,CID3238614,,,,,0.0,0.0,,,,,0.0,,,,,0.0,
CCCCN1C(=O)C2NN=C(C(=O)OCC)C2C1=O,CID3710920,,,,,,0.0,,,,,,,,,,,
CCCCN1C(=O)C2NN=C(C(=O)OC)C2C1=O,CID2956630,,,,,,0.0,,,0.0,0.0,,,,,,,
CCC(C)(C)NC(=O)C(c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCO2,CID652356,0.0,,0.0,,,,0.0,,,,0.0,0.0,,,,,
CC(C)CCNC(=O)C(c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCO2,CID646608,,,,,,,,,,,0.0,0.0,,,,0.0,
CSc1ccccc1NC(=O)C(=O)c1c[nH]c2ccccc12,CID7117359,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccc(F)c([N+](=O)[O-])c1)C(=O)c1c(O)[nH]c2ccccc12,CID4578247,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(O)c2nccn2Cc2ccccc2)cc1,CID3244151,0.0,,,,,0.0,0.0,,,,,,,,0.0,,
CCOc1ccc(C(O)c2nccn2Cc2ccccc2)cc1,CID2870346,0.0,,,,,0.0,,0.0,,,,0.0,0.0,,,,0.0
C=CCN1C(SCC(=O)Nc2ccc3c(c2)OCO3)=NN/C1=C1/C=CC=CC1=O,CID5739993,,,,,,,,,,,,,0.0,,,,
CCN1C(SCC(=O)Nc2ccc3c(c2)OCO3)=NN/C1=C1/C=CC=CC1=O,CID5741317,,0.0,,,,,,,,,,,0.0,,,,
Cc1ccc(SCc2nc(-c3ccccn3)no2)cc1,CID974714,0.0,,,,0.0,,0.0,0.0,,,,,0.0,0.0,,,
c1ccc(SCc2nc(-c3ccccn3)no2)cc1,CID2195556,,0.0,,0.0,0.0,,0.0,0.0,,,,,0.0,,,,
O=C(CSc1nc2ccc(Cl)cc2o1)NCc1ccc2c(c1)OCO2,CID2534073,,,,,,,,,,0.0,,,,,,,
O=C(CSc1nc2ccccc2o1)NCc1ccc2c(c1)OCO2,CID715368,0.0,,,,0.0,,0.0,,,,,,,0.0,,,
COc1cccc(OC)c1C(=O)Nc1ccc2ccccc2c1,CID823372,,,,,,0.0,,,,,,,,,,,
CC(C)(O)C(=O)NN(C(=O)c1ccccc1)c1ccc2ccccc2c1,CID921812,,,,,,0.0,,,0.0,,,0.0,,,,,
O=C(CC(c1cccs1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1,CID2883936,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)CC(c2cccs2)S(=O)(=O)c2ccccc2)cc1,CID4434294,,,,,,0.0,,,,,,,,,,,
CC(=O)N1CCc2cc(NN=C3C(=O)CC(C)(C)CC3=O)ccc21,CID1537028,,,,,,,,,,,,,,0.0,,,
CC(=O)N1CCc2cc(NN=C3C(=O)CCCC3=O)ccc21,CID829517,,,,,,,,,,,,,,0.0,,,
CCOC(=O)N1CCN(C(=O)Cc2cccs2)CC1,CID762661,,,0.0,,,,,0.0,,0.0,,,,,,,
CS(=O)(=O)N1CCN(C(=O)Cc2cccs2)CC1,CID1246104,,,,,,,,,,0.0,,,,,,,0.0
C=CCSC1=N/C(=C\C=C\c2ccco2)C(=O)S1,CID2296726,,,,,0.0,,0.0,,,,,,,,,,
CCCSC1=N/C(=C\C=C\c2ccco2)C(=O)S1,CID2184820,,,,,0.0,1.0,0.0,,,,,,0.0,,,,
CN(C(=O)c1ccco1)c1nnc(C23CC4CC(CC(C4)C2)C3)s1,CID4143164,0.0,0.0,,,0.0,,,,,,,,0.0,,,,
O=C(Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1ccco1,CID663488,0.0,0.0,,,0.0,,0.0,,,,,,,,,0.0,
O=C(c1cc(-c2ccncc2)nc2ccccc12)N1CCC2(CC1)OCCO2,CID3237200,,,,,,0.0,,0.0,0.0,,0.0,,,,,,
Cc1ccc2nc(-c3ccncc3)cc(C(=O)N3CCC4(CC3)OCCO4)c2c1,CID1261815,,,0.0,,,,,,0.0,0.0,0.0,,,,,0.0,0.0
CCOC(=O)N1CCC(NC(=O)CSCc2nc(-c3cccc(OC)c3)oc2C)CC1,CID3237206,,,0.0,,0.0,,,,,,,,,,,,
CCOC(=O)N1CCC(NC(=O)CSCc2nc(-c3ccc(OC)c(OC)c3)oc2C)CC1,CID3240527,,,,0.0,0.0,0.0,,0.0,,,0.0,0.0,,,,,0.0
N#Cc1c(N)n(C2CCCCC2)c2nc3ccccc3nc12,CID657501,,,,0.0,,0.0,,0.0,,,,0.0,,,,,
CCC(=O)Nc1c(C#N)c2nc3ccccc3nc2n1C1CCCCC1,CID658936,,,,,,,,,,,,0.0,0.0,,,,
CCOC(=O)c1sc2nc(C)n(CC(=O)NCC3CCCO3)c(=O)c2c1C,CID3237112,,,,,,,,0.0,0.0,,,,,,0.0,0.0,0.0
CCOC(=O)c1sc2ncn(CC(=O)NCC3CCCO3)c(=O)c2c1C,CID3236033,,0.0,,0.0,,,,,0.0,,,,,,,,0.0
CC(=O)Nc1ccc(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)cc1,CID1572650,,,,,,,,,0.0,,,,,,0.0,,
O=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1ccccc1,CID3720542,,,,,,0.0,,,,,,,,,,,
O=C(O)C1CCN(Cc2cnn(-c3ccccc3)c2-n2cccc2)CC1,CID3243867,0.0,0.0,,,,,0.0,0.0,,,,,,,0.0,,
CC(C)NC(=O)C1CCN(Cc2cnn(-c3ccccc3)c2-n2cccc2)CC1,CID3237942,,,,,,,,,,,,,,,,,0.0
Cn1nc(-c2ccc(N3CCOCC3)c(NS(=O)(=O)c3ccc(Cl)cc3)c2)c2ccccc2c1=O,CID1845011,,,,,,,,,0.0,,,,,,,,
Cn1nc(-c2ccc(N3CCOCC3)c(NS(=O)(=O)c3ccccc3)c2)c2ccccc2c1=O,CID1309133,,,,,,,,0.0,,,,,,,,0.0,
Cc1c(C(=O)N(C)C)sc2nc(-c3ccccn3)[nH]c(=O)c12,CID2458771,,,,,,,,,,0.0,0.0,0.0,,,,,
CCN(CC)C(=O)c1sc2nc(-c3ccccn3)[nH]c(=O)c2c1C,CID2101786,,0.0,,,,,,,,,,,,,,0.0,
Cc1ccccc1CN1CCN(C/C=C/c2ccccc2)CC1,CID1377377,,,,,,0.0,,,,,,,,,,,
COc1ccc(O)c(CN2CCN(C/C=C/c3ccccc3)CC2)c1,CID782280,,0.0,0.0,0.0,,,,,,,,,,,,,
Cc1cccc(Nc2n[nH]c(C)c2[N+](=O)[O-])c1,CID3122354,,,,,,,,,,,,,,0.0,,,
Cc1[nH]nc(Nc2ccccc2)c1[N+](=O)[O-],CID3122353,,,,,,,,,,,,0.0,,,,,
O=C(N/N=C/c1cnc2ccccc2n1)c1cccc(F)c1,CID831844,,,,,,,,,,,,,,,0.0,,
COc1ccccc1C(=O)N/N=C/c1cnc2ccccc2n1,CID821630,,,,,,,,,,,,,,0.0,,,
COc1ccc(CC(=O)NCc2ccccn2)cc1OC,CID659900,,,,,0.0,0.0,,,,,,,0.0,,,,
O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1ccccn1,CID755259,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccsc1/C=N/NC(=O)c1sccc1C,CID831849,,,,,,0.0,,,,,,,,,,,
O=C(N/N=C/c1ccc(Cl)s1)c1cccs1,CID840405,,,,,,,,,,,,,,0.0,,,
CC1Cc2nc(SCC(=O)N3CCCc4ccccc43)n(C)c(=O)c2S1,CID4649060,0.0,,,,,,,,,0.0,,,,,,0.0,
CCn1c(SCC(=O)N2CCCc3ccccc32)nc2c(c1=O)SC(C)C2,CID4164429,0.0,,,,,,0.0,,,,,,0.0,,,,
O=C(Nc1ccccc1-c1nnn(CC(=O)N2CCCc3ccccc32)n1)c1ccc(Cl)cc1,CID3192804,,,,,,,,,,0.0,,,,,0.0,,
O=C(Nc1ccccc1-c1nnn(CC(=O)N2CCCc3ccccc32)n1)c1cccc(Cl)c1,CID3192803,,,,,,,,,,0.0,,,,,,,
Cc1nc2ccccc2nc1COc1ccc(C#N)cc1,CID2414069,,,,,,,,,,,,,,0.0,,,
Cc1ccc(OCc2nc3ccccc3nc2C)cc1,CID1505942,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc3nc(C)sc3c2)cc1,CID2442554,,,,,,,,,,,,,,0.0,,,
Cc1nc2ccc(NC(=O)CCS(=O)(=O)c3ccc(Cl)cc3)cc2s1,CID2446492,,,,,,,,,,,,,,,0.0,,
O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)NC1CCCC1,CID5310135,,,,,,,,0.0,,,,,,,,,0.0
Cc1ccc(-n2ncc3c(=O)n(CC(=O)NC4CCCC4)cnc32)cc1C,CID3243238,,,,,,0.0,,,,,,,0.0,,,,
CCOc1ccccc1-n1nnnc1SCC(=O)Nc1cc2oc3ccccc3c2cc1OC,CID2613804,0.0,,,,,,0.0,,,,0.0,,,,,0.0,
COc1cc2c(cc1NC(=O)CSc1nnnn1-c1ccccc1)oc1ccccc12,CID2998163,0.0,,,,,,,0.0,,,0.0,,,,,,
O=C(NN1CCOCC1)c1ccc(Cl)cc1,CID870220,,,,,,,,,,,,,,,0.0,,
Cc1ccccc1C(=O)NN1CCOCC1,CID2852751,,,,,,,,,,,,,,0.0,,,
Cc1csc(SCC(=O)NC2CCCCC2)n1,CID2533027,,,,,,,,,,,,,,0.0,,,
CCOC(=O)Cc1csc(SCC(=O)NC2CCCCC2)n1,CID2443584,,,,,,,,,,,,,,0.0,,,
O=C1CC(c2ccccc2)CC(=O)C1=CNCCN1CCOCC1,CID2256111,,0.0,,,,,,0.0,,,,,,,,,0.0
COc1ccc(C2CC(=O)C(=CNCCN3CCOCC3)C(=O)C2)cc1,CID659048,,,,,,,,0.0,,,,,,,,,
Cc1ccc(C2CC(=O)NC(SCc3ccccc3)=C2C#N)o1,CID2855537,0.0,,,,0.0,0.0,0.0,,,,,0.0,,,,,
N#CC1=C(SCc2ccccc2)NC(=O)CC1c1ccco1,CID2841196,0.0,0.0,,0.0,0.0,,0.0,0.0,,,0.0,0.0,,,,,
N#Cc1c(Cl)nc(SCc2ccccc2)nc1-c1ccccc1,CID1471855,,,,,,,,,,,,,,,0.0,,
COc1ccc(-c2cc(C)nc(SCc3cccc(C(=O)O)c3)n2)cc1,CID1265466,,,,,,,,,,,,,,0.0,,,
COc1ccc(CSc2nc(CSC)cc(N3CCOCC3)n2)cc1,CID1471853,,,,,,,,,,,,,,0.0,,,
COCc1cc(N2CCOCC2)nc(SCc2ccc(Cl)cc2)n1,CID3738221,,,,,,,,,,,,,,0.0,,,
CCC(C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc2c(c1)OCCO2,CID663568,0.0,,,,,0.0,,,,,,,,,,,
CCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc2c(c1)OCCO2,CID663390,0.0,,,,,,,,,,,,,,,0.0,
Cc1ccc(N(CC(O)CON=C2c3ccccc3-c3ccccc32)S(C)(=O)=O)cc1,CID3157263,,,,,,,,,,0.0,,,,,,,
Cc1cccc(N(CC(O)CON=C2c3ccccc3-c3ccccc32)S(C)(=O)=O)c1,CID3157265,,,,,,,,,,0.0,,,,,,,
N#Cc1nc(-c2ccc(OCc3ccccc3)cc2)oc1N1CCOCC1,CID663563,0.0,,,0.0,,,,,,,,0.0,0.0,,,,
N#Cc1nc(-c2ccc(OCc3ccc(Cl)cc3)cc2)oc1N1CCOCC1,CID663841,0.0,,,0.0,,,0.0,,,,,,0.0,,,0.0,
CCn1c(COc2ccc3c(c2)OCO3)nnc1SCC(=O)c1ccccc1,CID1033463,,,,0.0,0.0,,,,,,0.0,,0.0,,,,0.0
CCn1c(COc2ccc3c(c2)OCO3)nnc1SCC(=O)c1ccc(Cl)cc1,CID1033461,,,,,,,,,,,0.0,,,,,,
CCN1C(=O)NC(c2cccnc2)C(C(=O)OC)=C1C,CID2917533,,0.0,,0.0,,,,,0.0,,,,,,,,
CCOC(=O)C1=C(C)NC(=O)NC1c1cccnc1,CID2817096,,0.0,,,,,,,,,,0.0,0.0,,,,
O=C(NCc1ccccn1)c1ccc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1,CID984452,,,,,,,,,,,,,,0.0,,,
O=C(NCc1ccccn1)c1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1,CID1179285,,,,,,,,,,,,,,0.0,0.0,,
CC(=O)/C=C(\O)c1c(C)[nH]n(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O,CID5818015,,,,,,0.0,,,,,,,,,,,
CCc1c(C)[nH]n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1=O,CID846022,,,,,,0.0,,,,,,,,,,,
CCc1[nH]c(SCc2cccnc2)nc(=O)c1C,CID645960,,0.0,,0.0,,,,0.0,,,0.0,,,,,,
CCCc1cc(=O)nc(SCc2cccnc2)[nH]1,CID1211548,,,,,,,,,,0.0,,,,,,,
COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)c1,CID2963989,,,,,0.0,,,0.0,,,,,,,,,0.0
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cc1,CID4442688,,0.0,,,,,,,,,,,0.0,,,0.0,
CC1(C)CCCN(C(=O)c2coc(=O)c(Br)c2)C1,CID664033,0.0,,,,,,,,,,,,,,,,0.0
Cc1cc(=O)oc(C)c1C(=O)N1CCCCC1,CID946992,,,,,,0.0,,,0.0,0.0,0.0,,,0.0,0.0,,
COc1ccc(-c2csc(Cc3nnc(N4CCOCC4)n3-c3ccccc3)n2)cc1OC,CID2380852,,,,,,,,,,,,0.0,,,,,
COc1ccc(-c2csc(Cc3nnc(N4CCOCC4)n3-c3ccccc3)n2)cc1,CID2380862,,,,,,,,,,,,,,,0.0,0.0,
O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(-c2ccccc2Cl)o1,CID1129059,,,,,,,,,,,,,,,0.0,,
O=C1N=C(N2CCOCC2)S/C1=C\c1ccc(-c2ccccc2Cl)o1,CID1129060,,,,,,,,,,,,,,,0.0,,
CC1CCCN(CCCNC(=O)c2coc3nc4ccccc4nc23)C1,CID3239334,,,,,0.0,0.0,,0.0,,,,0.0,,,0.0,,
CC1CCN(CCCNC(=O)c2coc3nc4ccccc4nc23)CC1,CID3241015,0.0,,,,,,,,0.0,,,0.0,,,,,
Cc1nc2sc(C(c3ccco3)N3CCC4(CC3)OCCO4)c(O)n2n1,CID3241116,,,0.0,0.0,,,0.0,,,,,,,,,,
Oc1c(C(c2ccco2)N2CCC3(CC2)OCCO3)sc2ncnn12,CID5157276,,,,,,,,,,,0.0,,,,,,
Cc1ccsc1C(=O)OCc1nc(=O)c2ccccc2[nH]1,CID2429170,,,,,,,,,,0.0,,0.0,,,,,
O=C(OCc1nc(=O)c2ccccc2[nH]1)c1cccs1,CID2097097,,,0.0,,,0.0,,,,0.0,,0.0,,,,,0.0
CCOC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)CC1,CID5308285,,,0.0,,,,,,,,,,,,,,
CC1CCCN(C(=O)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)C1,CID5307931,,,,0.0,,,,0.0,,,,,,,,,
CCCS(=O)(=O)N1CCn2c(nc3ccccc32)C1,CID5308283,,,,,,,,,0.0,,,,,,,0.0,
CCN(CC)CCCNC(=S)N1CCn2c(nc3ccccc32)C1,CID12004914,,,,,,,,,,,,,,,0.0,,
CCOC(=O)CC1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1,CID3767272,,,,,,,,,,,,,,,0.0,,
CCOC(=O)CC1C(=O)NCCN1S(=O)(=O)c1ccc(Br)cc1,CID3841624,,,,,,,,,,,,,,,0.0,,
Cc1ccc2nc(-c3ccc(NC(=O)COC(=O)c4ccc([N+](=O)[O-])o4)cc3)sc2c1,CID2356238,,,,,,,,,,,,,,,0.0,,
Cc1ccc2nc(-c3ccc(NC(=O)COC(=O)c4ccco4)cc3)sc2c1,CID2357119,,,,,,,,,,,,,,0.0,,,
CCOc1ccc2nc(N/C(N)=N/C(=S)Nc3cccc(C)c3)nc(C)c2c1,CID9587827,,,,,,,,,,,,0.0,,,,,
Cc1ccc(NC(=S)/N=C(\N)Nc2nc(C)c3ccccc3n2)cc1C,CID5552799,,,,,,,,,,,,,,0.0,,,
COc1cc(C(=O)NC2CCN(Cc3nnnn3Cc3cccs3)CC2)cc(OC)c1OC,CID645215,,,,,,,,0.0,,,0.0,,,,,0.0,
COc1cc(OC)cc(C(=O)NC2CCN(Cc3nnnn3Cc3cccs3)CC2)c1,CID653642,,0.0,,,,,,0.0,0.0,0.0,0.0,,0.0,,,0.0,
O=C(CSc1n[nH]c(-c2ccccc2Br)n1)NC(=O)NCc1ccco1,CID2128115,0.0,,,,,,,,,,,,,,,0.0,0.0
O=C(CSc1n[nH]c(-c2ccccc2)n1)NC(=O)NCc1ccco1,CID2669725,,0.0,0.0,0.0,0.0,0.0,,,,,,,0.0,,,,0.0
Cc1oc2c(c(=O)c1C)C(=O)CC(c1ccccc1)C2,CID2834771,,,,,,,0.0,0.0,,,,,,,,,
CCCCc1oc2c(c(=O)c1C)C(=O)CC(c1ccccc1)C2,CID2834772,,,,,,,,,0.0,,0.0,,,0.0,,,
COc1ccc(-n2c(-c3ccco3)n[nH]c2=S)cc1,CID704537,,0.0,,,,0.0,0.0,,,,0.0,,,,,,
CCOc1ccc(-n2c(-c3ccco3)n[nH]c2=S)cc1,CID660292,,0.0,,,,0.0,0.0,,,,,,,,,,0.0
O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCCCn1ccnc1,CID4877442,,,,,,,,,0.0,,,,,,,,
O=C(CNC(=O)c1ccc(Cl)cc1)NCCCn1ccnc1,CID2997650,0.0,0.0,,,,,0.0,,,,,,,,,0.0,0.0
O=c1cc(O)sc2ccccc12,CID177787,,,,0.0,0.0,,,,,,,,,,,,
Cc1cc(=O)c2ccccc2s1,CID330346,,,,,0.0,,,,,0.0,,,,,,,
Cc1nc2nc(SCC(=O)N3CCOCC3)nn2c(C)c1Cc1c(F)cccc1Cl,CID3241050,,,,,0.0,,,,0.0,,,,0.0,,,,
Cc1nc2nc(SCC(=O)N3CCOCC3)nn2c(C)c1Cc1ccccc1,CID3242420,,0.0,,,0.0,,,,,,,,0.0,,,,
CCOC(=O)c1nnc(-c2ccc(C)cc2)nc1Sc1ccc(Cl)cc1,CID6418547,,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1nnc(-c2ccccc2)nc1Sc1c(Cl)cccc1Cl,CID6404544,,,,,,0.0,,,,,,,,,,,
Cc1cc(NC(=O)CSc2ncnc3ccccc23)no1,CID2607885,,0.0,,,,0.0,,,0.0,0.0,0.0,0.0,0.0,,,0.0,
CCCc1nc(SCC(=O)Nc2cc(C)on2)c2ccccc2n1,CID653552,,0.0,,0.0,,,,,0.0,,0.0,,0.0,,,0.0,
CCOC(=O)C1=C2Nc3ccccc3N2CCC1=O,CID5339458,,,,,,,,,,0.0,,,,,,,
CCOC(=O)C1=C2N(C)c3ccccc3N2CCC1=O,CID749403,,,0.0,,,,,,,,,,0.0,,,,
CCOC(=O)Cc1csc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3CC)n1,CID1523398,,,,,0.0,0.0,,,,,0.0,,0.0,,,,0.0
CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4nc(C)cs4)ccc1c23,CID1192814,,0.0,0.0,0.0,0.0,0.0,,,,,,,,,,,
CCCn1c(=O)c2ccccc2n2c(SCc3c(C(=O)OCC)oc4ccccc34)nnc12,CID2493161,0.0,,,,,0.0,,,,,,,0.0,,,,
C=CCn1c(=O)c2ccccc2n2c(SCc3c(C(=O)OCC)oc4ccccc34)nnc12,CID2997862,0.0,,,,,,,,,,,,0.0,,,,
CC(NC(=O)OCc1ccccc1)C(=O)OCN1C(=O)c2ccccc2C1=O,CID660529,,,0.0,,,,,0.0,,,,,,,0.0,,
CCC(C)C(NC(=O)OCc1ccccc1)C(=O)OCN1C(=O)c2ccccc2C1=O,CID3844891,,,,,,,,,,0.0,,,,,,,
Cc1ccccc1C1=N/C(=C/c2cccs2)C(=O)O1,CID2243838,,,,,,,,,,,,,,0.0,,,
Cc1cccc(C2=N/C(=C/c3cccs3)C(=O)O2)c1,CID16187870,,,,,,,,,,,,,,,0.0,,
Fc1ccccc1-n1[nH]nnc1=S,CID781875,,,,,,,,,,0.0,,,,,,,
COC(=O)c1cccc(-n2[nH]nnc2=S)c1,CID858213,,,,,,,,,,0.0,,,,,,,
O=C(O)CCC(=O)N1N=C(c2cccs2)CC1c1cn(-c2ccccc2)nc1-c1ccccc1,CID3365775,,,,,,,,,,,,,,,0.0,,
COc1ccc(-c2nn(-c3ccccc3)cc2C2CC(c3cccs3)=NN2C(=O)CCCC(=O)O)cc1,CID3486379,,,,,,,,,,0.0,0.0,,,,,,
Cn1ncc(Cl)c(Oc2ccc(C(C)(C)C)cc2)c1=O,CID779214,,,,,,,,,,,,,,0.0,,,
Cn1ncc(Cl)c(Oc2ccc(Cl)cc2)c1=O,CID767721,,,,,,,,,,,,,,,0.0,,
CN1CCc2c(sc3c2C(=O)NC(c2ccc(-c4cccc(Cl)c4)o2)N3)C1,CID2868467,0.0,0.0,,,0.0,,,,,,,,,,,,
CCOC(=O)N1CCc2c(sc3c2C(=O)NC(c2ccc(-c4ccc(Cl)cc4)o2)N3)C1,CID3245292,0.0,,,,,,,,,,,,0.0,,,,0.0
COc1ccc(OC)c(NC(=O)c2c(NC(=O)c3ccco3)sc3c2CCC3)c1,CID1246966,,0.0,,,0.0,,,,,0.0,,,,,0.0,,
COc1ccccc1NC(=O)c1c(NC(=O)c2ccco2)sc2c1CCC2,CID1049756,,,0.0,,0.0,,,,,,0.0,0.0,,,,,
COc1cc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc(OC)c1OC,CID1104079,,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccccc1[N+](=O)[O-],CID4404492,,,,,,0.0,,,,,,,,,,,
Cc1nc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)cs1,CID663895,,0.0,0.0,,,,0.0,,,,,,,,0.0,,
Cc1nc(-c2cccc(S(=O)(=O)N3CC(C)OC(C)C3)c2)cs1,CID664536,,,0.0,,,0.0,0.0,,0.0,,,,0.0,,,,
O=C(C1CCCCC1)N1CCC(n2nnc3ccccc32)CC1,CID646479,,0.0,0.0,0.0,,,0.0,,,,,0.0,,,0.0,,
Cc1ccc2c(c1)nnn2C1CCN(C(=O)C2CCCCC2)CC1,CID654720,,0.0,0.0,0.0,,,0.0,,,,,,,,,,
CCOC(=O)c1cc2sc(C)cc2n1CC(=O)N1CCN(C(=O)c2ccco2)CC1,CID646472,,,,,0.0,0.0,0.0,0.0,,,,,,,,,
CCOC(=O)c1cc2sccc2n1CC(=O)N1CCN(C(=O)c2ccco2)CC1,CID655865,,,,,,0.0,,,,0.0,,,,,,0.0,
O=C(c1ccc(COc2ccccc2Cl)o1)N1CCCC1,CID716990,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(OCc2ccc(C(=O)N3CCCC3)o2)cc1,CID892182,0.0,,,,,,0.0,,,,,,,,,,
BrC(=C\c1ccccc1)/C=N/N1CCN(c2ccccn2)CC1,CID1362095,,,,,,,,,,,,,,0.0,,,
COc1ccccc1/C=C/C=N/N1CCN(c2ccccn2)CC1,CID11958902,,,,,,,,,,,,,,0.0,,,
COc1cc(OC)nc(Oc2ccccc2C(=O)Oc2ccc(Cl)cc2)n1,CID1020611,,,,,,0.0,,,,,,,,,,,
COc1cc(OC)nc(Oc2ccccc2C(=O)Oc2ccc(F)cc2Cl)n1,CID1020612,,,,,,0.0,,,,,,,,,,,
O=C(CSc1nn(-c2ccccc2)c(=S)s1)NC(=O)NCc1ccco1,CID2484516,,,,,,,,,0.0,,0.0,,,,,,
O=C(CSc1nn(-c2ccc(F)cc2)c(=S)s1)NC(=O)NCc1ccco1,CID2667950,,,,,0.0,,,,,,,,,,,,
O=C1CC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CN1CCc1ccccc1,CID4129843,0.0,,0.0,,,,,,,,,,,,,,
Cc1ccc(CCN2CC(C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2=O)cc1,CID3612501,,,,,,0.0,,,,,,,,,,,
CC(=O)Nc1ccc2c(c1)nc(CN1CCCC1)n2C,CID1249436,,,,,,,,,,,,0.0,,,,,
CCCC(=O)Nc1ccc2c(c1)nc(CN1CCCC1)n2C,CID4892419,,,,,,,,,,,,0.0,,,,,
O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2ccccc21)NCC1CCCO1,CID3240413,,,,,,,,,0.0,,,,,,,,
O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2cc(Cl)ccc21)NCC1CCCO1,CID3241639,,,,,,,0.0,,,,0.0,,,,,,
CCC(CC)C(=O)c1c[nH]c(C(=O)NCC2CCCO2)c1,CID3767524,,,,,,0.0,,,,,,,,,,,
CC(=O)c1c[nH]c(C(=O)NCC2CCCO2)c1,CID4594554,,,,,,,,,,,,0.0,,,,,
O=S1(=O)CC/C(=N\Nc2ccccc2)c2ccsc21,CID4519572,,,,,,,,,,,,,,,0.0,,
Cc1ccc(N/N=C2\CCS(=O)(=O)c3sccc32)cc1,CID3784368,,,,,,,,,,,,,,,0.0,,
CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)CC2CCCO2)cc1,CID649188,,,,,0.0,0.0,,,,,,,,,,,
CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)CC2CCCO2)cc1,CID3202233,,,,,,,,,,,0.0,,,,,,
CCOc1ccc2c(c1)N(C(=O)CN1C(=O)CCC1=O)C(C)(C)C=C2C,CID649182,,,,0.0,,,0.0,,,,,,,,,,
CC1=CC(C)(C)N(C(=O)CN2C(=O)CCC2=O)c2ccc(C)cc21,CID713604,,,,,,,,,,,,,,0.0,,,
O=C(/C=C/c1ccc(Cl)cc1Cl)c1cccnc1,CID7514876,,,,,,,,,,,,,,0.0,,,
O=C(/C=C/c1ccc(Cl)cc1)c1cccnc1,CID5997879,,,,,,0.0,,,,,,,,,,,
COC(=O)c1sccc1NC(=O)Cc1ccc(OC)cc1,CID897877,,,,,,,,,,,,,,0.0,,,
CCC(C(=O)Nc1ccsc1C(=O)OC)c1ccccc1,CID2930707,,,,,,,,,,,,,,0.0,,,
O=c1c2c(nc3c(-c4cccc5ccccc45)c[nH]n13)CCC2,CID870385,,,,,0.0,,0.0,0.0,,0.0,,0.0,,,,,
Cc1[nH]n2c(=O)c3c(nc2c1-c1cccc2ccccc12)CCC3,CID870377,,,,,,,,,,0.0,,0.0,,,,,
COc1cc2c(cc1OC)C1=C(C#N)CC/C(=N\S(=O)(=O)c3ccccc3)N1CC2,CID5308260,,,,,,0.0,,0.0,,,,,,,,,
COc1cc2c(cc1OC)C1=C(C#N)CC/C(=N\S(=O)(=O)c3cccc(Cl)c3)N1CC2,CID1288003,,,,,,0.0,,,,,0.0,0.0,,,0.0,,
Cc1ccc2oc(=O)c3cnn(CC(=O)NC4CCCCC4C)c3c2c1,CID5308263,,,,,,0.0,,,,,,,,,,,
Cc1ccc2oc(=O)c3cnn(CC(=O)NC4CCC(C)CC4)c3c2c1,CID5308378,,,,,,0.0,,,,,,,,,,,
Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)Nc1nccs1)c1ccc(C(C)C)cc1,CID5308269,,0.0,,,,,,,,,,,,,,,
COc1ccc(N(CC(=O)Nc2nccs2)S(=O)(=O)c2c(C)nn(C)c2C)cc1,CID5309966,,,,0.0,,,,,,,0.0,,0.0,,,,0.0
CCn1c(SCC(=O)N2CCCc3ccccc32)nc2ccccc2c1=O,CID655259,0.0,,,0.0,,,,,,,,,,,,,0.0
COCCn1c(SCC(=O)N2CCCc3ccccc32)nc2ccccc2c1=O,CID653918,,,,,,,,0.0,,,0.0,,,,,,
CC(C)(C)c1[nH]n(-c2ccccc2)c2nc(=O)c(CNc3ccc4c(c3)OCCO4)cc1-2,CID1383784,,,,,,,,,,,,0.0,,,,,
Cc1[nH]n(-c2ccccc2)c2nc(=O)c(CNc3ccc4c(c3)OCCO4)cc1-2,CID647065,0.0,,,,,0.0,,,,,0.0,0.0,,,0.0,,0.0
CCOC(=O)c1c(NC(=O)c2noc3c2CCCC3)sc2c1CCCC2,CID3238790,0.0,0.0,0.0,,,,,,,0.0,0.0,,0.0,,,,
CC1CCc2c(sc(NC(=O)c3noc4c3CCCC4)c2C(N)=O)C1,CID3244372,,0.0,,,0.0,,,,,,,,,,,0.0,
CC1CCCCC1NS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccncc2)cc1,CID645986,,,,,0.0,,0.0,,,,0.0,,0.0,,,0.0,
CCN(C1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)NCc2ccncc2)cc1,CID655401,,0.0,,,0.0,,,,0.0,0.0,0.0,,,,,,
CC1Cc2ccccc2N1C(=O)CSc1nnc(Cn2nnc3ccccc32)n1C,CID654704,0.0,,,,0.0,,0.0,,,,,,,,,0.0,
Cn1c(Cn2nnc3ccccc32)nnc1SCC(=O)N1CCc2ccccc21,CID648945,0.0,,,,0.0,,,,,,0.0,,,,0.0,0.0,
CCC(C)(C)NC(=O)CN(Cc1ccc2c(c1)OCO2)C(=O)CCC(=O)Nc1ccccn1,CID654703,,,,,,,,0.0,,,,,0.0,,,,
CC(C)CCNC(=O)CN(Cc1ccc2c(c1)OCO2)C(=O)CCC(=O)Nc1ccccn1,CID649719,,,,0.0,,0.0,,0.0,,,0.0,,,,,,
Cc1ccc2oc(=O)c3cnn(CC(=O)N4CCCCC4C)c3c2c1,CID5308840,,,,,,,0.0,,,,,,0.0,,,,
CCOC(=O)C1CCCN(C(=O)Cn2ncc3c(=O)oc4ccc(C)cc4c32)C1,CID5308199,,,,,,,0.0,0.0,,,,,,,,,
CN1C(=O)C(CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)N(C)C1=O,CID2954380,0.0,,0.0,,,,,,0.0,,,0.0,,,,,0.0
CCN1C(=O)C(CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)N(CC)C1=O,CID2957997,,,0.0,,,,,,0.0,,0.0,0.0,0.0,,,,0.0
OCCSc1nncn1N/C=C1\C=Nc2ccccc21,CID5343379,,0.0,0.0,,,,,,,,,0.0,,,,,
CC1=Nc2ccccc2/C1=C/Nn1cnnc1,CID5944653,,,0.0,,,,,0.0,,,,,,,,,
O=C(NC1CCCCC1)C(c1ccco1)N(C(=O)c1csnn1)C1CCCC1,CID651821,0.0,0.0,,0.0,0.0,0.0,,,,,0.0,,,,,0.0,0.0
Cc1ccc(C(C(=O)NC2CCCCC2)N(C(=O)c2csnn2)C2CCCC2)o1,CID648449,,,,0.0,0.0,,,,,,,,,,,,0.0
Cc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)N1CCOCC1,CID1204651,,,,,0.0,,,,,,0.0,,,,,,
Cc1ccc(S(=O)(=O)c2ccccc2)cc1S(=O)(=O)N1CCOCC1,CID1097196,,,,,,,,,0.0,,,,,,,,
Cn1nnnc1SCC(=O)N1c2ccccc2CCc2ccccc21,CID1081023,,0.0,,,0.0,,,0.0,,0.0,,,,,,0.0,
CCn1nnnc1SCC(=O)N1c2ccccc2CCc2ccccc21,CID652185,0.0,0.0,,,0.0,,0.0,,,0.0,,,,0.0,,0.0,
Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1cc2ccccc2o1,CID1108447,0.0,0.0,0.0,,0.0,,,,0.0,,0.0,,0.0,,,,
O=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1cc2ccccc2o1,CID2164739,0.0,0.0,0.0,,,,0.0,,0.0,,0.0,,,,,,
CCCn1c(C)cc(C(=O)COC(=O)c2c(C)nn(-c3ccccc3)c2C)c1C,CID4686732,,,,,,0.0,,,,,,,,,0.0,,
COCC(C)n1c(C)cc(C(=O)COC(=O)c2c(C)nn(-c3ccccc3)c2C)c1C,CID2999212,,,,,0.0,,0.0,,0.0,,,0.0,0.0,,,,
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)n1,CID986954,,0.0,,0.0,,,,,,,0.0,,,,,,
CCc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)o1,CID1086661,,0.0,0.0,,,,,0.0,0.0,,,,,,0.0,,
Cc1c(C(=O)NC(C)CN2CCCCC2)oc2ccccc12,CID2970485,0.0,,0.0,,,,,,,0.0,,,0.0,,,0.0,0.0
O=C(NCCN1CCCCC1)c1cc2ccccc2o1,CID5342218,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1c(NC(=O)C2c3ccccc3Oc3ccccc32)sc(C(C)=O)c1C,CID1221180,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1c(NC(=O)C2c3ccccc3Oc3ccccc32)sc(C(=O)N(CC)CC)c1C,CID1010754,,,,,,0.0,,,,,,,,,,,
C=CCOC(=O)c1ccc(-n2cncn2)nc1,CID3766467,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1ccc(-n2cncn2)nc1,CID2766805,,,,,,,,,0.0,,,0.0,,,,,
O=C(COC(=O)C1c2ccccc2Oc2ccccc21)NC1CCS(=O)(=O)C1,CID2999107,,,0.0,,,,,,,0.0,,,,,,0.0,
CN(C(=O)COC(=O)C1c2ccccc2Oc2ccccc21)C1CCS(=O)(=O)C1,CID2999361,,,,0.0,,,,0.0,,,0.0,,,,,0.0,
CCc1ccc(C2=Nn3c(nnc3-c3cccs3)SC2)cc1,CID2999101,0.0,,,,0.0,,,,,,,,,,,,
Clc1ccc(C2=Nn3c(nnc3-c3cccs3)SC2)cc1,CID736534,,,,,,,,,0.0,,,,,0.0,,,
Cn1nnnc1Sc1ncnc2scc(-c3ccccc3)c12,CID2432214,0.0,0.0,,,0.0,,0.0,,,,,,,,,,
Cn1nnnc1Sc1ncnc2scc(-c3ccc(F)cc3)c12,CID2526122,,,,,0.0,,,,,,,0.0,,,,,
COc1ccc(N2CCN(CCNC(=O)c3ccc(NC(=O)C4CCCO4)cc3)CC2)cc1,CID3242549,,,,,,,,,,,,,,,,,0.0
O=C(NCCN1CCN(c2ccccc2)CC1)c1ccc(NC(=O)C2CCCO2)cc1,CID3239227,,,,,,,0.0,0.0,,,,,,,,0.0,0.0
O=C(NNC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12)Nc1ccccc1,CID1002907,,,,,,,,,,,,,,0.0,,,
CC(C)(C)c1ccc(-c2cc(C(=O)NNC(=O)Nc3ccccc3)c3ccccc3n2)cc1,CID994955,,,,,,,,,,,,0.0,,,,,
CCCN(CCC)C(=O)C1c2ccccc2Oc2ccccc21,CID742979,,,,,,,,,,,,,0.0,,,,
CCN(CC)CCCNC(=O)C1c2ccccc2Oc2ccccc21,CID660919,,,,0.0,,0.0,,0.0,,,,,,,,,
Cc1ccc(-c2nc3ccccc3n3c(C)nnc23)cc1,CID801784,,,,,,,,,,,,0.0,,,,,
Cc1nnc2c(-c3ccccc3)nc3ccccc3n12,CID399097,,0.0,,0.0,,,0.0,0.0,,,,0.0,,,,,0.0
CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)N1CCN(c2ccc(OC)cc2)CC1,CID3178362,,,,,,0.0,,,,,,,,,,,
CCn1c(COc2cc(C)cc(C)c2)nnc1SCC(=O)N1CCN(c2ccccc2)CC1,CID2966435,,,,,,0.0,,,,,,,,,,,
Cc1ccc(CSc2ncnn2Cc2ccc(C)cc2)cc1,CID675235,,,,,,,,,,0.0,,,,,,,
c1ccc(CSc2ncnn2Cc2ccccc2)cc1,CID675230,0.0,,,,,,,,0.0,,0.0,,,,,,
COc1ccc(/C=C2/N=C(c3cccs3)OC2=O)cc1OC(C)C,CID903952,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(/C=C2\N=C(c3cccs3)OC2=O)cc1OC,CID920409,,,,,,,,,,,,,,0.0,,,
O=[N+]([O-])c1ccc(N2CCNCC2)cc1NC1CC1,CID2771400,,,,,,,,,,,,0.0,,,0.0,,
CC(=O)N1CCN(c2ccc([N+](=O)[O-])c(NC3CC3)c2)CC1,CID2890856,,,,,,0.0,,,,,,,,,,,
O=C(Oc1ccc(Cl)cc1)c1ccc(COC(=O)c2cnccn2)cc1,CID2221714,,,,,,,,,,,,,,0.0,,,
O=C(Oc1ccccc1)c1ccc(COC(=O)c2cnccn2)cc1,CID976280,0.0,0.0,,,,,0.0,0.0,0.0,,,,,,,,0.0
CC(C)Oc1ccc(C(=O)CCN2CCCCC2)cc1,CID115936,,,0.0,,,,,0.0,,,0.0,,,,,,
CCOc1ccc(C(=O)CCN2CCCCC2)cc1,CID114250,,,,0.0,,,,,0.0,,,,,,,0.0,0.0
Cc1nn(CCO)c(C)c1Oc1ccccc1O,CID2360896,,,0.0,,,,0.0,,,,,0.0,,,,,
CCn1nc(C)c(Oc2ccccc2O)c1C,CID651391,,,,,,,,,,0.0,,0.0,,,,0.0,
CCCn1nc(C(=O)Nc2nc3ccccc3[nH]2)c2ccccc2c1=O,CID2079913,,,,,,,,,,,,,,,0.0,,
CCn1nc(C(=O)Nc2nc3ccccc3[nH]2)c2ccccc2c1=O,CID2083334,,,,,,,,,,,,,,,0.0,,
Brc1ccc(-c2nn3c(-c4ccco4)nnc3s2)o1,CID662886,,,,,,,0.0,,0.0,,,,,,,,0.0
c1coc(-c2nn3c(-c4ccco4)nnc3s2)c1,CID655862,,0.0,0.0,0.0,,,,,,,,,,,,,
COC(=O)c1ccc(CSc2nnc(NC(=O)C3CCCO3)s2)cc1,CID4297053,,,,,,,,,,,,0.0,,,,,
N#Cc1ccc(CSc2nnc(NC(=O)C3CCCO3)s2)cc1,CID2999489,0.0,,,0.0,0.0,,,,0.0,0.0,0.0,,,,,,0.0
COC(=O)Cc1c(C)nc2nc(-c3cccnc3)[nH]n2c1=O,CID666435,,0.0,,0.0,,,0.0,,,,,,,,,,
Cc1nc2nc(-c3cccnc3)[nH]n2c(=O)c1C,CID1967472,,,,,,,,,0.0,,0.0,,,,,,
COc1ccc2c(=O)c3c(=O)n(Cc4ccco4)c(C4CCCCC4)nc3oc2c1,CID666434,0.0,,0.0,0.0,0.0,,,,0.0,,,,0.0,,,,
O=c1c2ccccc2oc2nc(C3CCCCC3)n(Cc3ccco3)c(=O)c12,CID666074,0.0,,0.0,0.0,0.0,,0.0,,0.0,0.0,,0.0,0.0,0.0,0.0,,
CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2coc(CSc3nc(C)cc(C)n3)cc2=O)cc1,CID12005826,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)co2)n1,CID12005998,,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2ccnc3nc(-n4cccc4)nn23)cc1,CID1471640,,,,,,0.0,,,,,,0.0,,,0.0,,
Fc1ccc(-c2ccnc3nc(-n4cccc4)nn23)cc1,CID1478928,,,,,,,,,,,,0.0,,,0.0,,
O=C(NCCc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1,CID648919,,,0.0,0.0,0.0,,,,,,,,,,,,0.0
COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3ccc4c(c3)OCO4)CC2)cc1,CID655795,,,,,0.0,,,0.0,,0.0,0.0,,,,,0.0,0.0
CN(C(=O)CSc1nc(N)nn1-c1ccccc1)c1ccccc1,CID715162,0.0,0.0,,,,0.0,0.0,,,0.0,,,,,,,
CC(=O)Nc1ccc(NC(=O)CSc2ncnn2-c2ccccc2)cc1,CID1096329,,,,,,,,,,0.0,0.0,,,,,,
CC1(C)Cc2ccccc2-c2[nH]c(CN3CCOCC3)nc(=O)c21,CID667340,,,0.0,0.0,,0.0,,,,,,,,,,,
CCC1(CC)Cc2ccccc2-c2[nH]c(CN3CCOCC3)nc(=O)c21,CID666413,,,,0.0,,0.0,,,,,,,,,,,
COC(=O)c1ccc(OC(=O)c2ccc(OCc3c(C)noc3C)c(OC)c2)cc1,CID2677903,,,,,,0.0,,,,,,,0.0,,,,
COc1cc(C(=O)Oc2ccccc2)ccc1OCc1c(C)noc1C,CID2668331,0.0,,0.0,,,0.0,0.0,0.0,,,,,,,0.0,,
O=C(O)c1cc(NCc2ccc3c(c2)OCO3)ccc1N1CCOCC1,CID667343,,,0.0,,,,0.0,0.0,0.0,,,,,0.0,0.0,,
COC(=O)c1cc(NCc2ccc3c(c2)OCO3)ccc1N1CCOCC1,CID666856,0.0,,0.0,,,,0.0,,0.0,,,,,,,,0.0
CN(Cc1ccccc1)C(=O)CNC(=O)Cn1cnc2ccccc2c1=O,CID3244922,,,,0.0,,,,,,,,,,,,,
COc1ccccc1CNC(=O)CNC(=O)Cn1cnc2ccccc2c1=O,CID3239325,,,,,,,,0.0,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)NCC2CCC(C(=O)NCc3ccc4c(c3)OCO4)CC2)cc1,CID4156843,,,,,,,,,,,0.0,,,,,,
O=C(NCc1ccc2c(c1)OCO2)C1CCC(CNS(=O)(=O)c2ccccc2)CC1,CID3243047,,,,,0.0,,0.0,0.0,,,,,,,,,
COc1ccc(CNc2oc(Cc3cccc4ccccc34)nc2C#N)cc1,CID664647,0.0,0.0,,,,0.0,0.0,0.0,0.0,,,0.0,,,,0.0,
N#Cc1nc(Cc2cccc3ccccc23)oc1NCc1ccc(F)cc1,CID664610,,0.0,,,,,,0.0,,,,0.0,,,,,
Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2CCCN2CCOCC2)cc1,CID664648,0.0,0.0,,,,,,0.0,,,,,0.0,,,,0.0
Cn1c(=O)c2c(-c3ccccc3)n(CCCN3CCOCC3)cc2n(C)c1=O,CID664736,0.0,,0.0,,,,,,,,,,0.0,,,,
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N/C(=O)c1cccnc1,CID2158304,,0.0,0.0,,,,,,,0.0,,0.0,,,,,
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccco2)/c1=N/C(=O)c1cccnc1,CID664440,0.0,,,,,,,,,,0.0,0.0,,,,,
Cc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)c1,CID2594211,,0.0,,,,,,0.0,,,,,,0.0,,,
Cc1cc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)no1,CID2406649,,,,,,,,,,,,0.0,,,,,
COc1cccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCN2CCOCC2)c1OC,CID2918643,,,,,,,,0.0,,,,,,,,,
COc1ccc(OC)c(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCN2CCOCC2)c1,CID660781,,,,0.0,,,,0.0,,,,,,,,,
N#Cc1nc(-c2ccco2)oc1N1CCOCC1,CID663918,,,,,,0.0,,0.0,0.0,,,,,,,,
CC1CN(c2oc(-c3ccco3)nc2C#N)CC(C)O1,CID664529,,,,0.0,,,,,,0.0,,,,,,,
Cc1nc(NCc2ccc3c(c2)OCO3)c2oc3ccccc3c2n1,CID663910,,0.0,,,0.0,,,,0.0,,,0.0,,,,,
c1ccc2c(c1)oc1c(NCc3ccc4c(c3)OCO4)ncnc12,CID2998880,,0.0,0.0,,0.0,,,,0.0,,,,0.0,,,0.0,
COc1ccc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1OC,CID5975239,,,,,,,,,,,,,,0.0,,,
Cc1[nH]c2ccccc2c1C(=O)/C=C/c1ccccc1,CID5719921,,,,,,0.0,,,,,,,,,,,
c1ccc(N2CCN(c3ncnc4scc(-c5cccs5)c34)CC2)cc1,CID2021530,,,,,0.0,,,,,,,,,0.0,,,
Cc1ccccc1N1CCN(c2ncnc3scc(-c4cccs4)c23)CC1,CID1854956,,,,,,0.0,,,,,,0.0,,,,,
Cc1cc2c(cc1C)NC(CC(=O)NCc1ccccc1)C(=O)N2,CID2859344,0.0,,,0.0,,,,,0.0,,0.0,,,,,,
CC(NC(=O)CC1Nc2ccccc2NC1=O)c1ccccc1,CID3237055,,,0.0,0.0,,,,,,,,,0.0,,,,
O=C(NCCCN1CCN(c2ccc(F)cc2)CC1)c1cccc(N2CCCC2=O)c1,CID3237913,0.0,,0.0,,,,,0.0,,0.0,,0.0,,,,,0.0
O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)c1cccc(N2CCCC2=O)c1,CID3242183,,,0.0,,,,,,,,,,,,,,0.0
CC1(C)C(=O)C2(CCCCC2)C(=O)OC1c1ccc(O)cc1,CID2957109,,0.0,0.0,,,,,,0.0,,,,,,,0.0,
CC1(C)C(=O)C2(CCCCC2)C(=O)OC1c1cccc([N+](=O)[O-])c1,CID2904447,,,,,,,,,,,,,,,0.0,,
COc1cccc(C(=O)Nc2c3c(nn2-c2cccc(C)c2C)CS(=O)(=O)C3)c1OC,CID3239764,,,0.0,,0.0,,,0.0,,,,,,,0.0,0.0,0.0
COc1ccccc1C(=O)Nc1c2c(nn1-c1cccc(C)c1C)CS(=O)(=O)C2,CID3239030,,0.0,,,0.0,,,0.0,,,,,0.0,,,,
CCOC(=O)c1nnn(CC(=O)N2N=C(c3ccccc3)CC2c2ccccc2)c1C(=O)OCC,CID5068175,,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1nnn(CC(=O)N2N=C(c3cc(C)ccc3C)CC2c2ccc(OC)cc2)c1C(=O)OCC,CID3682964,,,,,,,,,,,,,,,0.0,,
O=S(=O)(c1cccs1)N1CCN(Cc2ccccc2)CC1,CID649627,,,,,0.0,,,,,0.0,0.0,,0.0,,0.0,,
O=S(=O)(c1ccc(Cl)s1)N1CCN(Cc2ccccc2)CC1,CID2823175,,,0.0,,,,,,,,,,,,,,
CCc1ccc(NC2=NCC(=O)N2c2ccc3c(c2)OCCO3)cc1,CID649623,0.0,,,,,,,,,,,0.0,,,,,
Cc1ccc(NC2=NCC(=O)N2c2ccc3c(c2)OCCO3)c(C)c1,CID652270,0.0,0.0,,0.0,,,,,0.0,,0.0,,0.0,,,,0.0
COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)NCc3ccco3)n2)cc1OC,CID1166022,0.0,,,,0.0,,,,,0.0,,,,,,,0.0
CC(Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)NCc1ccco1,CID2945113,,,,,,,,,,0.0,,0.0,,,,,
N#CC12C(N)=NC3(OCCO3)C1(C#N)C1=C(CCC1)NC2c1ccccc1,CID659747,,0.0,,0.0,,,,,,,,,,,,,
COc1ccc(C2NC3=C(CCC3)C3(C#N)C4(N=C(N)C23C#N)OCCO4)cc1,CID664554,,,,,,,,,,,,,0.0,,,,
Cc1cc(C(F)(F)F)nn1CC(=O)NCC1CCCO1,CID659741,,,,0.0,,,,,0.0,,,,,,,,0.0
Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)NCC1CCCO1,CID2861416,,,,,,,,,,,,,,,0.0,,
Cc1ccc2[nH]c3c(c2c1)CN(C(=O)CN1CCN(c2ccccc2)CC1)CC3,CID659740,,,0.0,0.0,,,,,,,,0.0,,,,,
Cc1ccc2[nH]c3c(c2c1)CN(C(=O)CN1CCN(c2ccccc2F)CC1)CC3,CID659597,,,,,,0.0,,0.0,,,,0.0,,,,,
Cc1c(NC(=O)c2ccc3c(c2)OCO3)cccc1-c1nc2ccccc2o1,CID651571,0.0,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,,,,,
Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc2c(c1)OCO2,CID2956344,,,0.0,,,,,,0.0,0.0,,0.0,0.0,,,,0.0
Cc1csc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)cn12,CID5310305,,0.0,0.0,,,,0.0,,0.0,,,,,,,,0.0
O=S(=O)(NCc1cn2ccsc2n1)c1ccc2c(c1)OCCO2,CID3244158,,,,,0.0,,,,,,,,,,,,
O=C(c1ccccc1)C1C(=O)c2ccccc2C1=O,CID95022,,,,,,0.0,,0.0,0.0,,0.0,,,0.0,,,
Cc1ccc(C(=O)C2C(=O)c3ccccc3C2=O)cc1,CID5031415,,,,,,0.0,,,,,,,,,,,
Cc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)no1,CID2379774,,,,,,,,,,,,,,0.0,,,
O=C(Nc1ccon1)c1ccc(S(=O)(=O)N2CCOCC2)cc1,CID977841,,,,,,,,,,,,,,0.0,,,
CCOC(=O)Cc1csc(NC(=O)CSc2nnc(C3CC3)n2C)n1,CID645627,0.0,0.0,0.0,,0.0,,0.0,,,,,,0.0,,,0.0,0.0
CCOC(=O)c1csc(NC(=O)CSc2nnc(C3CC3)n2C)n1,CID649521,0.0,0.0,0.0,0.0,0.0,,,,0.0,,0.0,,,,,,
COc1ccc2cc(CN(Cc3ccco3)C(c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1,CID645624,0.0,,,,,,,,,,,0.0,,,,,
COc1ccc2cc(CN(Cc3ccco3)Cc3nnnn3C3CCCCC3)c(=O)[nH]c2c1,CID654016,,,,,,,,,,,,,,,,,0.0
O=C(Nc1ccccc1)N1C(=O)C2(OCCO2)c2ccccc21,CID658433,,,,,,,,0.0,,,,,0.0,,0.0,,
Cc1ccc(NC(=O)N2C(=O)C3(OCCO3)c3ccccc32)cc1,CID644570,,,0.0,,,0.0,,,0.0,,0.0,,,0.0,0.0,,
O=C(O)C1C(c2ccccc2)C(C(=O)N2CCOCC2)C1c1ccccc1,CID650620,,,,,,,0.0,,,,,,,,,,
COC(=O)C1C(c2ccccc2)C(C(=O)N2CCOCC2)C1c1ccccc1,CID646595,,,,,,0.0,,0.0,,,,,,,,,
CCOc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2,CID1841561,,,,,,,,,,,,,,,0.0,,
CC1(C)Nc2ccc(O)cc2-c2c1ssc2=S,CID657946,,,,,0.0,,,,,,,,,,,,
CC(C)n1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c2ccccc21,CID1728906,,,,,,,,,,,,,,0.0,,,
Cc1[nH]c2ccccc2c1/C=C1/SC(=O)N(CC(=O)N2CCCC2)C1=O,CID5453314,,,,,,0.0,,,,,,,,,,,
CC(C)N(C(=O)CSc1nnc(NC(=O)C2CCC2)s1)C(C)C,CID655699,0.0,0.0,0.0,,0.0,,0.0,,0.0,,0.0,,,,,,
CCc1nnc(NC(=O)C2CCC2)s1,CID849151,,0.0,,,,,0.0,0.0,,0.0,,,0.0,,,,0.0
COc1ccc(N2CCN(c3oc(Cc4cccc5ccccc45)nc3C#N)CC2)cc1,CID2000951,,,,,,0.0,,,,,,,,,,,
N#Cc1nc(Cc2cccc3ccccc23)oc1N1CCN(c2ccccc2)CC1,CID2023582,,,,,,0.0,,,,,,,,,0.0,,
CCOc1ccc(C(=O)CCc2nc3ccccc3s2)cc1,CID1503445,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)CCc2nc3ccccc3s2)cc1,CID1503444,,,,,,,,,,,,,,0.0,,,
O=C(c1ccc(Cl)cc1)N1CCN(c2cc(=O)[nH]nc2-c2ccccc2)CC1,CID3700021,,,,,,,,,,,,0.0,,,,,
O=C(c1cccc(C(F)(F)F)c1)N1CCN(c2cc(=O)[nH]nc2-c2ccccc2)CC1,CID3457312,,,,,,,,,,,,0.0,,0.0,,,
Cc1cc(C)cc(Nc2cnn(C34CC5CC(CC(CC(=O)O)(C5)C3)C4)c(=O)c2Cl)c1,CID9550128,,,,,,,,,,,0.0,,,,,,
Cc1ccc(Nc2cnn(C34CC5CC(CC(CC(=O)O)(C5)C3)C4)c(=O)c2Cl)cc1,CID9551063,,,,,,,,,,0.0,,0.0,,,0.0,,
Cc1nc2c(-c3ccccc3)c(C)nn2c(C)c1CCC(=O)NC(C)CCc1ccco1,CID9550122,,,,,,,,,,,0.0,,,,,,
Cc1nc2c(-c3ccc(F)cc3)c(C)nn2c(C)c1CCC(=O)NC(C)CCc1ccco1,CID5308963,,,,0.0,,,,,0.0,,,0.0,,,,,
CCO/C=C1\C(=O)N(c2ccccc2)C(=O)c2ccccc21,CID2255208,,,,,,0.0,0.0,0.0,0.0,,0.0,,,0.0,0.0,,
O=C1/C(=C/NCCO)c2ccccc2C(=O)N1c1ccccc1,CID5389987,,,,,,,0.0,0.0,,,,,,0.0,,,
Cc1cc(C(F)(F)F)nn1Cc1ccc(C(=O)NCc2ccco2)o1,CID1091759,,,,,0.0,,0.0,,0.0,,,,,,,,0.0
Cc1cc(C)n(Cc2ccc(C(=O)NCc3ccco3)o2)n1,CID3238151,,,,,,,,,,,,0.0,,,,,
O=C1CCCC(O)=C1C1NCCc2ccccc21,CID3804069,,,,,,,,,,,0.0,,,,,,
CC1(C)CC(=O)C(C2NCCc3ccccc32)=C(O)C1,CID3797137,,,,,,,,,,0.0,,,,,,,
Cc1cc(=O)nc(SCC(=O)N2CCc3ccccc3C2)[nH]1,CID888450,,,,,,,,,,0.0,,,,,,,
Nc1cc(=O)nc(SCC(=O)N2CCc3ccccc3C2)[nH]1,CID2357966,,,,,,,,,,,,0.0,,0.0,,,
COc1cccc(-c2nc(CSCC(=O)N3CCc4ccccc43)c(C)o2)c1,CID3245504,0.0,,,,,,,,0.0,,,,,,,,
COc1ccc(-c2nc(CSCC(=O)N3CCc4ccccc43)c(C)o2)cc1OC,CID3243679,,,,,0.0,,0.0,,,,,,0.0,,,,
CC(NC(=O)c1ccc2c(c1)OCO2)C1CCCO1,CID2970735,,,,,,,,,,0.0,,,,,,,0.0
O=C(NCC1CCCO1)c1ccc2c(c1)OCO2,CID2850759,,,0.0,,,,0.0,,,0.0,,,,0.0,,,
Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCC(C)CC2)CC1,CID3240280,,,0.0,,,,,,,,,,,,,0.0,
CCOC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)CC1,CID3241682,,,,,,,0.0,0.0,,,,,,,,,0.0
CCOC(=O)/C(C(C)=O)=C1/OC(=O)c2ccccc21,CID835828,,,,,,,,,0.0,,,,,,,,
CCOC(=O)/C(C(C)=O)=C1\OC(=O)c2ccccc21,CID659466,,,,,,,,0.0,0.0,,,,,0.0,,,
O=C(NCC1(c2ccccc2)CCOCC1)c1cccs1,CID899095,,,,,,,,,,,,,,0.0,,,
COc1ccc(C2(CNC(=O)c3cccs3)CCOCC2)cc1,CID935118,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C1CCCN(C(=O)c2cnn3c(C(F)(F)F)cc(-c4ccccc4)nc23)C1,CID2974735,,,,,0.0,,,,,,,,,,,,
CCOC(=O)C1CCCN(C(=O)c2cnn3c(C(F)F)cc(-c4ccc(C)cc4)nc23)C1,CID2980779,,,0.0,,,,0.0,,0.0,,0.0,,,,,,
Cc1ccc(OCC(=O)Nc2cccc(C(=O)Nc3ccccc3C(=O)O)c2)cc1C,CID1253179,,,,,,0.0,,,,,,,,,,,
COc1ccc(OCC(=O)Nc2cccc(C(=O)Nc3ccccc3C(=O)O)c2)cc1,CID3511146,,,,,,,,,,,,,,,0.0,,
CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(c3ccsc3)C2C1,CID3804843,,,,,,,,,,0.0,,0.0,,,,,
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(c3ccsc3)C2C1,CID660419,,0.0,,0.0,,,,,,,0.0,,,,,,
Cc1cccc(-c2noc(-c3ccc4c(c3)OCO4)n2)c1,CID893001,,,,,,,,,,,,,,,0.0,,
COc1ccc(-c2noc(-c3ccc4c(c3)OCO4)n2)cc1,CID709733,,,,,,,,,,,0.0,,,0.0,0.0,,
Clc1ccc(CSc2cc3c(nn2)-c2ccccc2CC3)cc1Cl,CID6413289,,,,,,,,,,,,,,,0.0,,
Clc1ccc(CSc2cc3c(nn2)-c2ccccc2CC3)cc1,CID6404508,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1ccc(NS(=O)(=O)N2CCCCCC2)cc1,CID2243363,0.0,,,0.0,,,,,0.0,,0.0,,0.0,,,0.0,0.0
O=S(=O)(Nc1ccc(F)cc1)N1CCCCCC1,CID1258612,,,,0.0,,,,,,,,,,,,,
CCn1c(SCC(=O)NCC2CCCO2)nnc1-c1ccccc1,CID3992086,,,,,,0.0,,,,,,,,,,,
CCC(=O)Nc1ccc(-c2nnc(SCC(=O)NCC3CCCO3)n2C)cc1,CID661512,,0.0,0.0,,,,,,,,,,0.0,,,,
Fc1cccc(Cl)c1CSc1nnc(COc2cccc3cccnc23)o1,CID647972,,0.0,0.0,,0.0,0.0,,,0.0,,0.0,,,,,,
COc1ccc(C=O)cc1CSc1nnc(COc2cccc3cccnc23)o1,CID1374182,,,,,,,,,,,0.0,,,,,,
CC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2Cc2ccc3c(c2)OCO3)cc1,CID2510967,,,,,,0.0,,,,,,,,,0.0,,
Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2,CID2375060,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1,CID655067,0.0,,0.0,,0.0,0.0,,0.0,,,,,,,,,0.0
O=S(=O)(c1ccc(F)cc1)N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1,CID650008,0.0,0.0,,,0.0,,,,,,0.0,,,,,,
CN1CCN(c2ccc(NC(=O)c3cccc(OCc4ccccc4)c3)cc2)CC1,CID2946926,0.0,,,,,,,,,,,,,,,,
CC(=O)N1CCN(c2ccc(NC(=O)c3cccc(OCc4ccccc4)c3)cc2)CC1,CID2890469,,,,,,0.0,,,,,,0.0,,,,,
COc1ccc(C2(CNC(=O)c3cccc([N+](=O)[O-])c3)CCOCC2)cc1,CID15945099,,,,,,,,,,,,,,0.0,,,
CCCCOc1ccc(C(=O)NCC2(c3ccccc3)CCOCC2)cc1,CID3135709,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-c2cc(-c3ccccc3)c3c(N)c(S(C)(=O)=O)sc3n2)cc1,CID1316236,,,,,,0.0,,,,0.0,0.0,,,,,,
CS(=O)(=O)c1sc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1N,CID1312940,,,,,,,,,,,0.0,,,,0.0,,
O=C(NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cc(Cl)ccc1Cl,CID2232356,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C(=O)NC(=S)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(Cl)c1,CID2236599,,,,,,,,,,,,,,0.0,,,
Cc1ccc(-c2nn(CC(=O)Nc3ccc4c(c3)nc3n4CCOC3)c(=O)c3ccccc23)cc1,CID666966,0.0,,,,,,,,,,0.0,,,,,,
O=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)Nc1ccc2c(c1)nc1n2CCOC1,CID666349,,,,,,,,,,,,0.0,,,,,
Cn1c(C(=O)NC2CCCCC2)cc2sccc21,CID650500,,,,0.0,0.0,,0.0,,,,,,,,,,0.0
CN(C(=O)c1cc2sccc2n1C)C1CCCCC1,CID647570,,,,,,,0.0,,,,,,0.0,,,,
O=C(CN1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1)NCc1cccs1,CID650501,0.0,,,,0.0,,,,,,,,,,,,
O=C(CN1CCC(n2nnc3ccccc32)CC1)NCc1cccs1,CID650839,,0.0,0.0,0.0,,,0.0,,,0.0,,,0.0,,,0.0,
Cc1ccc(S(=O)(=O)Nn2c(C)nnc2-n2nc(C)cc2C)cc1,CID650503,,0.0,,0.0,0.0,,,,,,,,,,0.0,0.0,
Cc1cc(C)n(-c2nnc(C)n2NS(=O)(=O)c2ccc(F)cc2)n1,CID645296,0.0,,,,0.0,,,,,,,,,,,0.0,0.0
CCCCn1c(-c2ccco2)nc2ccccc2c1=O,CID1923623,,,,,,0.0,,,0.0,,,,,0.0,,,
COCCCn1c(-c2ccco2)nc2ccccc2c1=O,CID2268672,,,0.0,,,0.0,0.0,0.0,,,,,,0.0,0.0,,
O=C(CSc1nnnn1-c1ccccc1)NCc1cccs1,CID2062920,,,,,,0.0,,,0.0,,,,,,,,
CSc1ccccc1-n1nnnc1SCC(=O)NCc1cccs1,CID2224556,,,,,0.0,,,,0.0,,,0.0,0.0,,,,0.0
Cc1ccc(C)c(NC(=O)C2CC3c4ccccc4C2c2ccccc23)c1,CID3105009,,,,,,,,,,,,0.0,,,,,
Cc1cccc(NC(=O)C2(C)CC3c4ccccc4C2c2ccccc23)c1C,CID2884422,,,,,,,,,,,,,,0.0,,,
CCc1nc(SCC(=O)c2cccs2)c2oc3ccccc3c2n1,CID2041981,,,,,,0.0,,,,0.0,,,,,0.0,,
O=C(CSc1ncnc2c1oc1ccccc12)c1cccs1,CID664458,,,,,0.0,,,,0.0,0.0,,,,0.0,0.0,,
CC(C(=O)Nc1sccc1C(N)=O)N1C(=O)C2CC=CCC2C1=O,CID2999399,,,0.0,0.0,,,,,,0.0,,,,0.0,,,0.0
NC(=O)c1ccsc1NC(=O)CN1C(=O)C2CC=CCC2C1=O,CID2998500,,,,,,,,,,0.0,,,0.0,,,,0.0
O=C1NC2(CCCCC2)N=C1c1ccccc1,CID3242855,,,,,,,,,,,,,,,,0.0,
O=C1NC2(CCCCC2)N=C1c1ccc(F)cc1,CID3242267,,,0.0,0.0,,0.0,,0.0,,,,,,,,,
COC(=O)Cn1/c(=N/C(=O)CSCC(=O)Nc2cc(C)on2)sc2ccccc21,CID4160902,,,,,0.0,,,,,,,,,,,0.0,
COCCn1/c(=N/C(=O)CSCC(=O)Nc2cc(C)on2)sc2cc(C(=O)OC)ccc21,CID3237922,,,,,0.0,,0.0,,,,,,,,0.0,,0.0
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)o1,CID1231186,,,,,,,,,,,,0.0,,,0.0,,
Cc1ccc(-c2ccc(/C=N/NC(=O)c3cc4c(ccc5ccccc54)o3)o2)cc1[N+](=O)[O-],CID1231451,,,,,,0.0,,,,,,,,,,,
CCOC(=O)CSc1nc(C2CC2)nc2ccccc12,CID644454,,,,0.0,,,0.0,0.0,,,,1.0,0.0,0.0,,,
COC(=O)CSc1nc(C2CC2)nc2ccccc12,CID645255,,,,,,,0.0,0.0,,,,,,,,,
COC(=O)c1c(NC(=O)CSc2nnnn2-c2ccc3c(c2)OCO3)sc(C)c1C,CID645124,,,,0.0,0.0,,,,0.0,,0.0,,,,,0.0,0.0
CCOC(=O)c1c(NC(=O)CSc2nnnn2-c2ccc3c(c2)OCO3)sc(C)c1C,CID652791,,,0.0,0.0,0.0,,,,0.0,,0.0,,,,,,0.0
CCCCn1c(SCC(=O)N2CCOCC2)nnc1-c1cccs1,CID645128,0.0,,,,0.0,0.0,0.0,,,,,,0.0,,0.0,,0.0
CCn1c(SCC(=O)N2CCOCC2)nnc1-c1cccs1,CID1071876,0.0,0.0,,,0.0,,0.0,,0.0,,,,0.0,0.0,,,0.0
CCOC(=O)c1s/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n(C)c1C,CID3237046,,,,,0.0,,,,,0.0,,,,,,,
CCOC(=O)c1s/c(=N/C(=O)c2ccc(S(=O)(=O)N3CC(C)OC(C)C3)cc2)n(C)c1C,CID3238028,,,,,0.0,,,,,,0.0,,,,,,
O=C(COC(=O)CNC(=O)c1ccc(Br)cc1)NCCC1=CCCCC1,CID4599754,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)NCC(=O)OCC(=O)NCCC2=CCCCC2)cc1,CID2119583,,,,,,,,,,,,,,0.0,,,
O=C(O)CCc1nnc2n(Cc3ccc(F)cc3)c(=O)c3ccccc3n12,CID2136400,,,,,,,,,,0.0,,,,,,,
Cc1ccc(Cn2c(=O)c3ccccc3n3c(CCC(=O)O)nnc23)cc1,CID5308917,,,0.0,,,,,0.0,,,,,,,,,
Cc1noc(C)c1COc1ncnc2ccccc12,CID2387227,,,,,,,,,,,,,,0.0,,,
Cc1nc(OCc2c(C)noc2C)c2ccccc2n1,CID2419721,,,,,,,,,,,,,,0.0,,,
c1ccc(-c2ncnc3cc4n(c23)CCC4)cc1,CID900030,,,,,,,,,,,,,,,0.0,,
N#Cc1c2n(c3c(-c4ccccc4)ncnc13)CCC2,CID749803,,,,0.0,,0.0,,0.0,,,,,,,,,
COCc1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)o1,CID3436420,,,,0.0,,,,,,,,,0.0,,,,
CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(COC)o2)cc1,CID2155638,,,,,,0.0,0.0,,0.0,,,,,,,0.0,0.0
Cc1ccc(CCNc2ccccc2C)cn1,CID687027,,,,,,,,,,0.0,,0.0,,0.0,,,
Cc1ccc(NCCc2ccc(C)nc2)cc1,CID778446,,,,,,,,,,0.0,0.0,,,,,,
CCOC(=O)/C(C#N)=C\C1=C(N2CCCC2)CC(C)(C)OC1,CID1892840,,,,,,,,,0.0,,,0.0,,,,,
CCOC(=O)/C(C#N)=C/C1=C(N2CCCC2)CC(C)(C)OC1,CID755434,,,,,,,,,0.0,,,,,,,,
N#Cc1cccc(NC(=O)COc2ccc(-n3ccnc3)cc2)c1,CID2997705,,0.0,0.0,,,0.0,,,,,,,0.0,,,,
Cc1ccc(NC(=O)COc2ccc(-n3ccnc3)cc2)cc1Cl,CID4884585,,,,,,0.0,,,,0.0,,,,,,,
O=C(c1ccccc1)N1CCCCC(Sc2nnc3ccccn23)C1=O,CID2997700,0.0,,0.0,,,,0.0,,,,,,,,,0.0,0.0
O=C(c1ccc(F)cc1)N1CCCCC(Sc2nnc3ccccn23)C1=O,CID2998822,0.0,0.0,,,0.0,,,,,0.0,,,0.0,,,0.0,
CCOc1cc2c(cc1OCC)C(c1ccccc1OC)OC(=O)C2,CID2948734,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(C2OC(=O)Cc3cc(OC)c(OC)cc32)cc1,CID2858863,,,,,,,,,,,,0.0,,0.0,,,
O=C(NC1CCS(=O)(=O)C1)c1ccccc1C(=O)c1ccccc1,CID2908475,,,,,,0.0,,0.0,0.0,,0.0,,0.0,,,0.0,
CN(C(=O)c1ccccc1C(=O)c1ccccc1)C1CCS(=O)(=O)C1,CID2919318,,,0.0,0.0,,,0.0,,0.0,0.0,,,,,,0.0,
O=C1CC(c2ccccc2)N2NC(N3C(=O)c4ccccc4C3=O)=NC2=N1,CID5389256,,,,,,,,,,,0.0,,,,,,
O=C1CC(c2ccc(Cl)cc2)N2NC(N3C(=O)c4ccccc4C3=O)=NC2=N1,CID5389832,,,,,,,0.0,,,,,,,,,,
Cc1cc(C)n(CC(O)CN2c3ccccc3Sc3ccccc32)n1,CID2897692,,,,0.0,,,,0.0,,,,,,,,0.0,
Cc1nn(CC(O)CN2c3ccccc3Sc3ccccc32)c(C)c1Br,CID2897119,,,,,,,,,0.0,,0.0,,,,,,
Cn1c2ccccc2c2c(C(=O)N3CCN(c4ccc(F)cc4)CC3)cn(C3CCCC3)c(=O)c21,CID3241586,,,,,,,,,,,,,0.0,,,,
Cn1c2ccccc2c2c(C(=O)N3CCN(c4ccccc4)CC3)cn(C3CCCC3)c(=O)c21,CID3239120,,,,,,0.0,,,,,,,,0.0,0.0,,
Cc1cc2occ(CC(=O)Nc3nnc(C4CC4)s3)c2cc1C,CID2551171,,,,,,,,,,,,,,0.0,,,
COc1ccc2c(CC(=O)Nc3nnc(C4CC4)s3)coc2c1,CID2999504,0.0,,0.0,0.0,0.0,,,0.0,,,0.0,,0.0,,,0.0,
CC1CCCN(c2c([N+](=O)[O-])c(=O)oc3ccccc23)C1,CID2873240,,,,,,,,,,,,,,,0.0,,
O=c1oc2ccccc2c(N2CCCCC2)c1[N+](=O)[O-],CID38045,,,,,,,,,,,,,,,0.0,,
Cc1cc(NC(=O)CCC(=O)N(c2ccc(F)cc2)C2(C(=O)NC3CCCCC3)CCCC2)no1,CID644568,,,,,,,,,0.0,,,0.0,0.0,0.0,,,
Cc1cc(NC(=O)CCC(=O)N(c2ccccc2)C2(C(=O)NC3CCCCC3)CCCC2)no1,CID648879,0.0,,,,,,0.0,,,,,0.0,,,,,0.0
CCN1C(SCC(=O)NCc2ccccc2)=NN/C1=C1/C=CC=CC1=O,CID5741374,,,,,,,,,,,,,,0.0,,,
C=CCN1C(SCC(=O)NCc2ccccc2)=NN/C1=C1/C=CC=CC1=O,CID5739804,,0.0,,0.0,,,,,,,,,,,,,
O=C1CC(N2CCN(c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)C(=O)N1c1ccc(F)cc1,CID2982337,,,,0.0,,,,,,,,,,,,,
COc1ccc(N2C(=O)CC(N3CCN(c4ccc(S(=O)(=O)N5CCCC5)cc4)CC3)C2=O)cc1,CID2980928,,,,,,,0.0,0.0,0.0,,,,,,,,0.0
O=C1C(=CNCCCn2ccnc2)C(=O)c2ccccc21,CID2841612,,0.0,0.0,0.0,,,0.0,,,,,,,,,,
CC(NCCCn1ccnc1)=C1C(=O)c2ccccc2C1=O,CID651980,,,,,,0.0,0.0,,0.0,,0.0,,0.0,0.0,,,0.0
CCCCN1C(=O)C(O)(CC(=O)c2c(C)n[nH]c2C)c2cc(Br)ccc21,CID667156,0.0,,,,,,,,0.0,,0.0,0.0,,,,0.0,0.0
C=CCN1C(=O)C(O)(CC(=O)c2c(C)n[nH]c2C)c2cc(Br)ccc21,CID2950878,,,,,,,,,0.0,,0.0,0.0,,,,0.0,0.0
CCN1CCCC1CNC(=O)CSc1cc(=O)n(C)c2cc(Cl)ccc12,CID3244551,,,0.0,,0.0,,,,,,0.0,,,,,,0.0
CCN1CCCC1CNC(=O)CSc1cc(=O)n(CC)c2ccccc12,CID3245601,,,,,,,,,,,,0.0,,,,,
CCOC(=O)COc1cccc2c(=O)n(CC(=O)NCc3ccc4c(c3)OCO4)ccc12,CID2149418,,,0.0,,,,,,,0.0,,0.0,0.0,0.0,0.0,,
CCOC(=O)C(C)Oc1cccc2c(=O)n(CC(=O)NCc3ccc4c(c3)OCO4)ccc12,CID4289057,,,1.0,,,,,,,,,,,,,,
CCOC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)SC(C)C(=O)N3)CC1,CID3244554,,,,,0.0,,,,,0.0,,,,,,,
CCOC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)SCC(=O)N3)CC1,CID3237519,,,,0.0,0.0,,,,,0.0,,,,,,,
CCN(Cc1ccccc1)S(=O)(=O)c1nc2nc(C)c(C)c(C)n2n1,CID1242591,,0.0,,,0.0,,,0.0,,0.0,,,,,,,
Cc1cc(C)n2nc(S(=O)(=O)N(C)Cc3ccccc3)nc2n1,CID706075,,,,0.0,,,,,,,,,,,,,
CC(=O)c1c(-c2ccc(Cl)cc2)n(-c2ccccc2)c(O)cc1=O,CID1042654,,,,,,,,,,,,,,0.0,,,
CC(=O)c1c(-c2ccc(C)cc2)n(-c2ccccc2)c(O)cc1=O,CID1042657,,,,,,,,,,,,,,,0.0,,
COc1nc(OCCNC(=O)Nc2ccccc2)nc(N(C)C)n1,CID664233,,0.0,0.0,0.0,,,,,,,0.0,,0.0,,,,
CN(C)c1nc(OCCNC(=O)Nc2ccccc2)nc(N(C)C)n1,CID658880,,0.0,0.0,0.0,,,,,,,,,,,,,
CC1CN(c2nc(-c3ccccc3)nnc2-c2ccccc2)CC(C)O1,CID6415168,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-c2nnc(-c3ccccc3)c(N3CCOCC3)n2)cc1,CID6404673,,,,,,0.0,,,,,,,,,,,
COCCn1c(=N)c(C(=O)NCCc2ccc(OC)cc2)cc2c(=O)n3cccc(C)c3nc21,CID664239,,,,,,,,,,,,0.0,,,,,
COCCn1c(=N)c(C(=O)NCCc2ccccc2)cc2c(=O)n3cccc(C)c3nc21,CID2930384,,,,,,,,,,,,,0.0,,,,
O=c1cc(N2CCOCC2)c2ccccc2o1,CID804048,,,,,,0.0,,,,0.0,,,,0.0,,,
CC(=O)N(C(C)=O)c1c(N2CCOCC2)c2ccccc2oc1=O,CID779426,,,,0.0,,,,0.0,,,,,0.0,,,,
Cc1ccc(N2CC(C(=O)OCC(=O)Nc3ccccc3F)CC2=O)cc1,CID3936920,,,,,,,,,,,,,,0.0,,,
CCc1ccccc1NC(=O)COC(=O)C1CC(=O)N(c2ccc(F)cc2)C1,CID3240934,,,,,,,,,,0.0,,,,0.0,,,
COc1cccc(/C=N/NC(=O)Cn2ccnc2C)c1,CID929722,,,,,,,,,,,,,,0.0,0.0,,
COc1cc(/C=N/NC(=O)Cn2c([N+](=O)[O-])cnc2C)ccc1OC(=O)N(C)C,CID9551019,,,,,,,,,,,,,,,0.0,,
Cc1ccc(OCc2nnc(SCc3nc4ccccc4[nH]3)n2Cc2ccco2)cc1,CID664890,0.0,,,,0.0,0.0,,,,,,,,,,,
Clc1ccc(OCc2nnc(SCc3nc4ccccc4[nH]3)n2Cc2ccco2)cc1,CID666902,,0.0,0.0,,0.0,,,,,,,,,,,,0.0
Nc1n[nH]c(S(=O)(=O)CCCc2ccccc2)n1,CID665146,,,,,,,,0.0,,,,,,,,,0.0
O=S(=O)(CCCc1ccccc1)c1ncn[nH]1,CID665060,,0.0,,0.0,,,0.0,,,0.0,,0.0,0.0,,,0.0,
COC(=O)c1ccccc1NC(=O)N1CSCC1C(=O)OC,CID665143,,,0.0,,,,0.0,,,,,,,0.0,,0.0,
Cc1cccc(C)c1NC(=O)N1C(C(=O)O)CSC1C(=O)O,CID3726564,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)N/N=C/c2cccc3cccnc23)cc1,CID869582,,,,,,,,,,,,0.0,,,,,
CCOc1ccc(C(=O)N/N=C/c2cccc3cccnc23)cc1,CID869691,,,,,,0.0,,,,,,0.0,,,,,
CCn1cc(C(=O)Nc2nnc(C)s2)c(=O)c2cc(F)c(N3CCN(C(=O)c4ccco4)CC3)cc21,CID1122209,,,,,,,,,,,0.0,,,,,,
CCn1cc(C(=O)Nc2nncs2)c(=O)c2cc(F)c(N3CCN(C(=O)c4ccco4)CC3)cc21,CID658625,0.0,,,,,,,,,,0.0,,,,,0.0,0.0
Cn1cccc1/C=N/NC(=O)c1sc2ccccc2c1Cl,CID869580,,,,,,,,,,,,,,,0.0,,
Cc1ccc2c(Cl)c(C(=O)N/N=C/c3cccn3C)sc2c1,CID869585,,,,,,,,,,,,,,,0.0,,
O=C(NCc1cccs1)C1CCCN(c2ncccn2)C1,CID646908,,0.0,,0.0,,,,0.0,,,,,0.0,,,0.0,
Cc1cc(C)nc(N2CCCC(C(=O)NCc3cccs3)C2)n1,CID645574,,,,0.0,,,,0.0,,,,,,,,0.0,
c1ccc2oc(CCc3nc4ccccc4o3)nc2c1,CID646903,0.0,0.0,,,0.0,,,0.0,0.0,,,,,,,0.0,
Cc1ccc2nc(CCc3nc4ccc(C)cc4o3)oc2c1,CID656381,0.0,,,0.0,0.0,,0.0,,0.0,,0.0,,0.0,,,0.0,
Cc1cccc2cc(CN(CC3CCCO3)S(=O)(=O)c3ccccc3)c3nnnn3c12,CID652250,0.0,0.0,,,,,0.0,,,,,,,,,0.0,0.0
Cc1ccc2cc(CN(CC3CCCO3)S(=O)(=O)c3ccccc3)c3nnnn3c2c1,CID3216806,,,,,,,,,,,0.0,,,,,,
CSc1nnc(-c2sccc2OCc2ccc(C)cc2)n1C,CID1482498,,,,,,,,,,,,,,0.0,,,
CSc1nnc(-c2sccc2OCc2ccccc2)n1C,CID1482499,,,,,,0.0,,,,,,,,0.0,0.0,,
CCOc1ccc(S(=O)(=O)n2ccnc2)c2ccccc12,CID5243272,,,,,,,,,,,0.0,,,,,,
Cc1cn(S(=O)(=O)c2ccc(Br)c3ccccc23)cn1,CID1355435,0.0,,,,,,,,,,,,,,,0.0,0.0
CCN1CCn2c1nc(N1CCCCC1)nc2=O,CID1249942,,,,0.0,,,0.0,,,,,,,,,,
CN1CCn2c1nc(N1CCCCC1)nc2=O,CID935548,,0.0,,,,,,,,,,,,,,,
O=C(N1CCOCC1)N1CCC(n2nnc3ccccc32)CC1,CID650093,,0.0,,0.0,,,,0.0,,,,,0.0,,,,
O=C(N1CCOCC1)N1CCC(n2nnc3cc(F)ccc32)CC1,CID649399,,0.0,0.0,,,,,,,,,,0.0,,,,
CN(C(=O)c1ccncc1)c1nnc(-c2cccnc2)s1,CID655784,,0.0,0.0,,0.0,,,,,,,,,,,0.0,
Cc1ccc(-c2nnc(N(C)C(=O)c3ccncc3)s2)cn1,CID646512,,0.0,,,0.0,,,0.0,,,,,,,,0.0,
CCN(CC)C(=O)c1sc2[nH]c(=S)n(-c3ccccc3)c(=O)c2c1C,CID1075653,,,,,,,,,,,,,,,0.0,,
CCc1cc2c(=O)n(-c3ccccc3)c(=S)[nH]c2s1,CID2431979,,,,,,,,,,0.0,,,,0.0,,,
Cn1nnc(NC(=O)c2cccc(OCc3ccccc3)c2)n1,CID935931,,0.0,,,,,,,,0.0,,,0.0,,,,0.0
CCCn1nnc(NC(=O)c2cccc(OCc3ccccc3)c2)n1,CID893746,,,,,,,,,,0.0,,,,,,,
CCn1cc(C(=O)NC2CCCCC2)c(=O)c2ccc(C)nc21,CID757204,,,,,,,,,0.0,,0.0,0.0,,,0.0,,
CCn1cc(C(=O)NC2CCCCC2C)c(=O)c2ccc(C)nc21,CID2999004,,0.0,,,0.0,,,0.0,,,,,,,0.0,,
CCOC(=O)C(C(=O)NCC1CCCO1)C1CCCCC1,CID2898508,,,,,,,,,,0.0,0.0,,,,,,
O=C(CC1CCCCC1)NCC1CCCO1,CID2913058,,,0.0,,,,0.0,,0.0,,,,0.0,,,,
O=C(c1ccc(F)cc1)N1CCN(C(=O)c2cccnc2)CC1,CID776712,,,,,,0.0,,,,,,0.0,,,,,
O=C(c1cccnc1)N1CCN(C(=O)c2ccccc2F)CC1,CID776699,,,,,,,,,,,,,,,,0.0,
Cc1ccc(N2OC3C(=O)NC(=O)C3C2c2ccco2)cc1,CID2948282,,,,0.0,,,,,,0.0,,,0.0,,,,0.0
CCCCN1C(=O)C2ON(c3ccccc3C)C(c3ccco3)C2C1=O,CID2918622,,,0.0,,,,,0.0,,,,,,,0.0,,
CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C)oc2c(CN2CCOCC2)c1O,CID1130514,,,0.0,,,,,0.0,0.0,,,,0.0,,,,
CCc1cc2c(=O)c(-c3nc4ccccc4n3C)coc2c(CN2CCOCC2)c1O,CID1130512,0.0,,,,,,,,0.0,,,,0.0,,,,0.0
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1ccc(N2CCOCC2)cc1,CID2450372,,,,,,,,,,,,,,,0.0,,
Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1ccc(N2CCOCC2)cc1,CID2078698,0.0,,0.0,,,,0.0,0.0,,0.0,0.0,0.0,0.0,,0.0,,0.0
Cc1ccc(OCC(O)CNC(=O)c2ccccc2C(=O)O)cc1,CID2914864,,,,,,0.0,,,,,,,,,,,
COc1ccc(OCC(O)CNC(=O)c2ccc(Br)cc2)cc1,CID3246784,,,,,,,,,,,0.0,,,,,0.0,
Cc1oc(C(=O)O)cc1COc1ccc2c3c(c(=O)oc2c1C)CCCC3,CID1765268,,,,,,0.0,,0.0,,,,,,,,,
COC(=O)c1cc(COc2ccc3c4c(c(=O)oc3c2)CCCC4)c(C)o1,CID1312921,,,,,,,,,,,,,0.0,,0.0,,
CCCOc1ccc(CCN2CCC(=O)NC2=O)cc1C,CID600579,,,,,0.0,,,,,,,0.0,,,,,
Cc1cc(CCN2CCC(=O)NC2=O)ccc1OC(C)C,CID584263,,,0.0,,0.0,,,,,,,0.0,,,,,
NC(=O)C1CCC(NC(=O)OCc2ccccc2)CC1,CID657544,0.0,,,0.0,0.0,,,,,0.0,,0.0,,,,,
O=C(NC1CCC(C(=O)O)CC1)OCc1ccccc1,CID285247,,,0.0,,,,,0.0,0.0,,0.0,,,,,0.0,
[O-][N+]1=c2ccc(Nc3ccccc3)cc2=NC12CCCCC2,CID657546,0.0,0.0,,,,,0.0,,,,,0.0,,,,0.0,
COc1ccc(Nc2ccc3c(c2)=NC2(CCCCC2)[N+]=3[O-])cc1,CID791069,,,,,0.0,,,,,,,0.0,,,,,
Cc1cccn2c(=O)c3cc(C(=O)NC4CCCCC4)c(=N)n(CCN4CCOCC4)c3nc12,CID3243324,,,0.0,0.0,,,0.0,,,,,,,,,,
N=c1c(C(=O)NC2CCCCC2)cc2c(=O)n3ccccc3nc2n1CCN1CCOCC1,CID3240219,,0.0,0.0,,,,,,,,,,,,,,
CC(/C=C1\N=C(SCc2ccccc2)SC1=O)=C\c1ccccc1,CID2191222,,,,,,,,,,,,,,,0.0,,
CC(/C=C1\N=C(SCc2ccccc2Cl)SC1=O)=C\c1ccccc1,CID1769017,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C1CCCN(C(=O)C2CCCN(S(C)(=O)=O)C2)C1,CID3243322,,0.0,,,,,,0.0,,,,,0.0,,,,
CC1CCN(C(=O)C2CCCN(S(C)(=O)=O)C2)CC1,CID3236519,,,0.0,0.0,,,,0.0,,,,,,,0.0,,
Cc1ccc2c(c1)nnn2C1CCN(S(C)(=O)=O)CC1,CID650454,,,,0.0,,0.0,,0.0,0.0,0.0,,,,,,,0.0
COCC(=O)N1CCC(n2nnc3cc(F)ccc32)CC1,CID649205,,,,,,0.0,,,,,,,0.0,,,,
O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1,CID650452,0.0,0.0,0.0,0.0,0.0,,,,0.0,,,,,,0.0,0.0,0.0
O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC(c2nc3ccccc3[nH]2)CC1,CID652913,0.0,0.0,0.0,0.0,0.0,,,0.0,,,,,,,,0.0,0.0
CN(Cc1ccccc1)C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1,CID2490269,0.0,,0.0,,0.0,,,0.0,,,,,0.0,,,,0.0
O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)NCc1ccccc1,CID1143682,0.0,,0.0,,0.0,,,0.0,,,,,0.0,,,,0.0
COc1ccc(CCN2C(=O)CSC2c2ccc(OC)c(OC)c2)cc1OC,CID2860695,,,,,,,,,,,,,,0.0,,,
COc1cc(C2SC(C)C(=O)N2CCc2ccccc2)cc(OC)c1OC,CID2840150,,,,,,,,,,,,,,0.0,,,
COC(=O)c1c(NC(=O)CSc2n[nH]c(N)n2)sc(C)c1C,CID2999701,,,,,,0.0,,,0.0,0.0,,,0.0,,,,
CCOC(=O)c1c(NC(=O)CSc2n[nH]c(N)n2)sc(CC)c1C,CID2998932,,0.0,,,,,0.0,,0.0,,,,,,,,
CC(=O)Nc1ccc2c(c1)nc(CCN1CCC(C)CC1)n2C,CID4887441,,,,,,0.0,,,,,,0.0,,,,,
Cn1c(CCN2CCCCC2)nc2cc([N+](=O)[O-])ccc21,CID1511213,,,,,,,,,,,,0.0,,,,,
O=C(CSc1nnnn1Cc1ccccc1)c1ccccc1,CID656235,0.0,0.0,0.0,0.0,,,0.0,0.0,,,,,,,,1.0,
COc1ccc(C(=O)CSc2nnnn2Cc2ccccc2)cc1,CID649038,0.0,,,,,,0.0,0.0,,0.0,0.0,,,0.0,,0.0,0.0
Cc1nc2ncnn2c(N2CCCC(C(=O)Nc3ccc4c(c3)CCC4)C2)c1C,CID656233,,,,,,0.0,0.0,,,,,,0.0,,,,
Cc1cc(N2CCCC(C(=O)Nc3ccc4c(c3)CCC4)C2)n2ncnc2n1,CID656066,,0.0,,,,,,,,,,,0.0,,,,
COc1cc(C(=O)NCc2nnc(SCC(=O)N3CCc4ccccc43)o2)cc(OC)c1OC,CID3242091,,,,,0.0,,,,0.0,,,,,,,0.0,0.0
COc1ccc(C(=O)NCc2nnc(SCC(=O)N3CCc4ccccc43)o2)cc1OC,CID3238118,,,,,0.0,,,,0.0,,,,,,,0.0,0.0
Cc1[nH]c(SCC(=O)NCc2ccco2)nc(=O)c1C,CID1079287,,,,,,,,,0.0,0.0,,0.0,,,,,
Cc1cc(=O)nc(SCC(=O)NCc2ccco2)[nH]1,CID586221,,,0.0,0.0,,,,0.0,,,,,,,,0.0,
CCCS(=O)(=O)N1CCC(C(=O)N2CCC(Cc3ccccc3)CC2)CC1,CID3245774,,0.0,,,,,,0.0,,,0.0,,0.0,,,,
CS(=O)(=O)N1CCC(C(=O)N2CCC(Cc3ccccc3)CC2)CC1,CID1082618,,,,,,,,,,,,,0.0,,,,0.0
O=C(NCc1ccco1)c1cc(-c2cccnc2)nc2ccccc12,CID3245772,0.0,0.0,,,,,,0.0,,,,,,,,,
O=C(NCc1ccco1)c1cc(-c2cccnc2)nc2ccc(Cl)cc12,CID2220463,0.0,0.0,0.0,,,,,,,,,,,,0.0,0.0,0.0
CCOC(=O)N1CCN(C(=O)c2ccc3c(=O)n(CCc4ccccc4)c(=S)[nH]c3c2)CC1,CID3245778,,,,,,0.0,,,,,,,,,,,
CN1CCN(C(=O)c2ccc3c(=O)n(CCc4ccccc4)c(=S)[nH]c3c2)CC1,CID3242683,,,,,,,,,,,0.0,,,,,,0.0
CCN(CC)CCNC1=Nc2ccccc2CCC1,CID749386,,,,0.0,,,,,,0.0,,0.0,,,,,
O=C(O)CCNC1=Nc2ccccc2CCC1,CID750066,,,,,,,,0.0,,,,,,,,,
CCC1(C)Cc2c(C#N)c(N)n(-c3ccccc3)c(=O)c2CO1,CID3244029,,,,,0.0,,,,,,,,,,,0.0,
CC1(C)Cc2c(C#N)c(N)n(-c3ccccc3)c(=O)c2CO1,CID740304,,0.0,0.0,,,0.0,,,0.0,,,,,,,,0.0
N#CC(C(=O)Nc1ccccc1)=C1CCCCC1,CID702337,,,,0.0,0.0,,0.0,0.0,,,,,0.0,,,0.0,
CC1CCC(=C(C#N)C(=O)Nc2cccc(Cl)c2)CC1,CID3711536,,,,,,0.0,,,,,,,,,,,
Cc1nn(C)c(C)c1S(=O)(=O)N1CCCC(C(=O)NCC2COc3ccccc3O2)C1,CID5307867,,,,,,,,0.0,,,0.0,,,,,,
Cc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C(=O)NCC2COc3ccccc3O2)C1,CID3245248,,,,,0.0,,,,,,,,0.0,,,,
Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCN(c2ccccc2)CC1,CID5307865,0.0,0.0,,,,0.0,,0.0,,,,,0.0,,,,
Cc1ccc(C)c(N2CCN(S(=O)(=O)c3c(C)noc3/C=C/N(C)C)CC2)c1,CID5771294,,,,0.0,,,,,,,,,,,,,
N#CC1=C(N)C(C#N)(C#N)C2(C(=O)Nc3ccccc32)C2CCCC=C12,CID2860920,,,,0.0,,,,,,,,,,,,,
C=CCN1C(=O)C2(c3ccccc31)C1CCCC=C1C(C#N)=C(N)C2(C#N)C#N,CID9551632,,,,,,,,,,0.0,,,,,,,
COc1cccc(C2=NOC(C(=O)N3CCN(Cc4ccccc4)CC3)C2)c1OC,CID3240650,0.0,0.0,0.0,0.0,0.0,0.0,,,0.0,,,,,,,,0.0
O=C(C1CC(c2ccc(F)cc2)=NO1)N1CCN(Cc2ccccc2)CC1,CID5309483,0.0,,,,,,,0.0,,,,,,,,,
Cc1cccn2c(=O)c3cc(C(=O)N4CCCc5ccccc54)n(C)c3nc12,CID3240652,,,,,,,,0.0,,,0.0,,,,,,
Cn1c(C(=O)N2CCCc3ccccc32)cc2c(=O)n3ccccc3nc21,CID3243691,,0.0,,,,,0.0,,,0.0,,,,,,,
O=C(CSc1nc2ccccc2s1)c1cc2ccccc2o1,CID1517496,,,,,,,,,,0.0,,,,,,,
O=C(CSc1nc2cc(Cl)ccc2s1)c1cc2ccccc2o1,CID2361973,,,,,,,,,,,,,,0.0,,,
CC1=C(c2ccc(C)cc2)S(=O)(=O)N(CC(=O)O)C1=O,CID3242875,,,,,0.0,,,,0.0,0.0,,,,,,,
COC(=O)CN1C(=O)C(C)=C(c2ccc(C)cc2)S1(=O)=O,CID3241145,,,,,0.0,,,,,,,,,,,0.0,
CCn1cc(C(=O)NCc2ccco2)c(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc21,CID3242874,,,,,0.0,,,,,,,,,,,,
C=CCn1cc(C(=O)NCc2ccco2)c(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc21,CID3243712,,,,,0.0,,,,,,,,0.0,,,,
CC(=O)N1CN2CN(C(C)=O)CC(C(=O)c3ccc(Br)cc3)(C2)C1,CID536700,0.0,,,,,,0.0,,0.0,,0.0,0.0,,,0.0,0.0,0.0
CC(=O)N1CN2CN(C(C)=O)CC(C(=O)c3ccccc3)(C2)C1,CID834221,,,0.0,,,,,0.0,0.0,,,,,,,,
CC1(C)CC(=O)C2=C(C1)c1cc3ccccc3cc1NC2c1cccc([N+](=O)[O-])c1,CID2883809,,,,,,0.0,,,,,,,,,,,
COc1ccccc1C1Nc2cc3ccccc3cc2C2=C1C(=O)CC(C)(C)C2,CID2883255,,,,,,0.0,,,,,,,,,,,
Cc1nnc(SCC(=O)N2c3ccccc3C(C)(c3ccccc3)CC2(C)C)s1,CID2869945,,,,,,,,,,,,,,,0.0,,
CC1(c2ccccc2)CC(C)(C)N(C(=O)CSc2nnc(N)s2)c2ccccc21,CID2888973,,,,,,0.0,,,,,,,,,,,
COc1ccc(-c2noc3cc(C(F)(F)F)cnc23)cc1,CID3751880,,,,,,,,,0.0,,,,,,,,
O=[N+]([O-])c1ccc(-c2noc3cc(C(F)(F)F)cnc23)cc1,CID3743946,,,,,,,,,,,,0.0,,,,,
c1ccc(OCCCc2nc(-c3ccncc3)no2)cc1,CID2195245,,,,,,,,,,,0.0,,,,,,
Clc1ccc(OCCCc2nc(-c3ccncc3)no2)c(Cl)c1,CID1971455,,,,,,,,,,0.0,,,,,,,
Cc1c(NC(=O)c2ccc(Br)o2)c(=O)n(-c2ccccc2)n1C,CID997988,0.0,,,,,,,,0.0,,0.0,0.0,,,,0.0,0.0
Cc1c(N(C)C(=O)c2ccco2)c(=O)n(-c2ccccc2)n1C,CID802489,,,,0.0,,,,,,,,,,,0.0,,
NS(=O)(=O)c1ccc(CCNC(=O)C2CCCN(S(=O)(=O)c3cccnc3)C2)cc1,CID5307110,,0.0,,,,0.0,,,,,,,,,,0.0,
O=C(NCCc1ccccc1)C1CCCN(S(=O)(=O)c2cccnc2)C1,CID3242851,,,0.0,0.0,,0.0,,,,,,,,,,,
Cc1ccc(-c2nc(SCC(=O)NCCN3C(=O)CSC3=O)[nH]c2-c2ccc(C)cc2)cc1,CID2649943,,,,,,0.0,,,,0.0,0.0,,,,,,
O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)NCCN1C(=O)CSC1=O,CID2498201,,,,,,,,,,0.0,,0.0,,,,,
Cn1c(=O)c2c(SC3CCCC3)nc(CC(C)(C)C)nc2n(C)c1=O,CID5310087,,,,,,,,0.0,,,,,,,,0.0,
CCCc1nc(SC2CCCC2)c2c(=O)n(C)c(=O)n(C)c2n1,CID5310284,,,,,,,,0.0,0.0,0.0,0.0,,,,,,
COc1ccc(N2C(=O)C(Cc3ccccc3)NC2=S)cc1,CID4003720,,,,,,,,,,,,,,0.0,,,
O=C1C(Cc2ccccc2)NC(=S)N1c1ccccc1,CID2871911,,,,,,0.0,,,,,,0.0,,,,,
COc1ccc(N2CCN(C(=O)CCCN3C(=O)c4cccc5cccc(c45)C3=O)CC2)cc1,CID2926808,,,,,,,,,,,,0.0,,,,,
O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)N1CCN(c2ccccc2)CC1,CID2892073,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(Nc2nc(Cc3nnc(SCC(=O)c4ccc(C)cc4)o3)cs2)cc1,CID1435337,,,,,,0.0,,,,0.0,0.0,,,,,,
CCOc1ccc(Nc2nc(Cc3nnc(SCC(=O)c4ccc(C)c(C)c4)o3)cs2)cc1,CID1435338,,,,,,,,,,0.0,0.0,,,,0.0,,
COc1ccc(CCN2C(=O)c3cccc4cccc(c34)C2=O)cc1OC,CID2906466,,,,,,,,,,,,,,,0.0,,
CCN(CC)C(=O)c1ccc2c3c(cccc13)C(=O)N(CCc1ccc(OC)c(OC)c1)C2=O,CID4563759,,,,,,,,,,,,,,,0.0,,
CCc1nnc(NC(=O)c2ccc(S(=O)(=O)N(CC)Cc3ccccc3)cc2)o1,CID2155601,,,,0.0,,0.0,,,,,0.0,,,,,,0.0
Cc1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)o1,CID2155680,,,,0.0,,,,,0.0,,0.0,,,,,,0.0
NC(=O)NCC1CC1,CID9547713,,,,,,,,,,,,,,,0.0,,
CCC(C)C(NC(=O)NC1CC1)C(=O)O,CID663720,,,,0.0,,,,,,0.0,,,,,,,0.0
CC(C)(O)C#Cc1ccc(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)cc1,CID1043407,,,,,,,0.0,,,,0.0,,,,,,0.0
NC(=O)C1(N2CCCCC2)CCN(C(=O)c2ccccc2)CC1,CID709561,0.0,0.0,0.0,,,0.0,0.0,0.0,,,,0.0,,,,0.0,0.0
N#C/C(C(N)=O)=c1/ccc2c(c1)N1C3=C(CCCC3)CC3CCCCC31N=2,CID657644,,,,,,,0.0,,,,,,0.0,,,,
N#CC(C#N)=c1ccc2c(c1)N1C3=C(CCCC3)CC3CCCCC31N=2,CID657699,,,,,,,,0.0,,,,,0.0,,,,
O=C(CSCC(=O)N1CCOCC1)Nc1ccccc1,CID535662,,0.0,,0.0,,,,0.0,,,,,,,,,
Cc1ccc(NC(=O)CSCC(=O)N2CCOCC2)cc1,CID733613,,,,,,,,,,,,,,,0.0,,
O=C1CC(c2ccccc2)CC(=O)C1=CNCCN1CCN(C(=O)Cc2ccccc2)CC1,CID2900748,,,,,,,,0.0,,0.0,,,,,,,
Cc1ccc(C2CC(=O)C(=CNCCN3CCN(C(=O)Cc4ccccc4)CC3)C(=O)C2)cc1,CID3241766,0.0,,,,,0.0,,0.0,,0.0,,,0.0,,,,
CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2/N=C/c1ccco1,CID3840349,,,,,,,,,,,,0.0,,,0.0,,
CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2/N=C/c1ccco1,CID664141,,,,,,,,,,,,0.0,0.0,,,,
O=C1NC(c2ccccc2)=C(c2ccc3ccccc3n2)C(c2ccc([N+](=O)[O-])cc2)N1,CID3921371,,,,,,0.0,,,,,,,,,,,
O=C1NC(c2ccccc2)=C(c2ccc3ccccc3n2)C(c2cccc([N+](=O)[O-])c2)N1,CID3921370,,,,,,0.0,,,,,,,,,,,
Cc1nn(C(C)C(=O)Nc2ccc3c(c2)OCO3)c(C)c1[N+](=O)[O-],CID2981348,,,,,,,,,,,,,,,0.0,,
Cc1c(Br)c([N+](=O)[O-])nn1C(C)C(=O)Nc1ccc2c(c1)OCO2,CID2981737,,,,,,,,,,,,0.0,,,,,
Cc1cc2nc3c(c(=O)n2[nH]1)CCCC3,CID804580,,,0.0,,,,,,,,,0.0,0.0,,,,
N#Cc1c[nH]n2c(=O)c3c(nc12)CCCC3,CID736587,,,,,,0.0,,,,,,,,,,,
COc1ccc2nc(S(=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1,CID4594,,0.0,,,,,,0.0,,,,,,,,0.0,
Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1,CID3883,0.0,,,,,,,0.0,0.0,,,,,,,,0.0
CCOc1ncccc1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID2574204,,,,,,,,,0.0,,,,,,,,
O=C(c1cccnc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID704380,,0.0,,,,,,,,,,,,,,,
O=C(NCc1ccc(F)cc1)c1ccc(CS(=O)(=O)Cc2ccc(F)cc2)o1,CID3239272,,,,,0.0,,,0.0,,,,,0.0,,,,0.0
O=C(NCc1ccc(F)cc1)c1ccc(CS(=O)(=O)Cc2ccccc2F)o1,CID3236852,,,0.0,,0.0,,0.0,,,,,,,,,,
CCN(CCCNC(=O)c1ccc(N2CCCC2=O)cc1)c1cccc(C)c1,CID3239271,0.0,,0.0,,0.0,0.0,,,,,0.0,,,,0.0,,
CN(CCCNC(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1,CID3239320,,0.0,,,,,,,,,0.0,,,,0.0,,
CSc1nc2ccc(S(=O)(=O)N3CCCCC3)cc2s1,CID558856,,,,,,,,,0.0,,,,,0.0,,,
CCCC(=O)Nc1nc2ccc(S(=O)(=O)N3CCCCC3)cc2s1,CID2138904,0.0,0.0,0.0,,0.0,,0.0,,,0.0,0.0,,,,,,
CCCOc1ccc(OCCOCCN2CCc3ccccc3C2)cc1,CID1825674,,,,,,,,,,,,,,,0.0,,
COc1ccc(OCCOCCN2CCc3ccccc3C2)cc1,CID1825680,,,,,,0.0,,,,,,,,,,,
CC1CC2(NC(=O)NC2=O)C(C)CN1C,CID5389126,,,,,,,,,,,,,,,,,0.0
CN1CCC2(CC1)NC(=O)NC2=O,CID2302260,,,,0.0,,,,,,,,,0.0,,,,
COc1ccc(OCc2nc(N)nc(Nc3cccc(C)c3C)n2)cc1,CID1615590,,,,,,,,,,,,,,,,0.0,0.0
COc1ccc(OCc2nc(N)nc(Nc3ccc(C)cc3)n2)cc1,CID714743,,,,,,,,,,,0.0,,,,,,
COc1ccccc1NC(=S)N(Cc1cccnc1)Cc1ccccc1Cl,CID4283307,,,,,,,,,,,,,,,0.0,,
Cc1ccccc1NC(=S)N(Cc1cccnc1)Cc1ccccc1Cl,CID4153842,,,,,,,,,,,,,,,0.0,,
CCc1ccc(C(C)NC(=O)/C(C#N)=C\c2cn[nH]c2-c2ccccc2)cc1,CID11838394,,,,,,,,,,,,,,0.0,,,
CC(NC(=O)/C(C#N)=C/c1cn[nH]c1-c1ccccc1)c1ccccc1,CID6199954,,,,,,0.0,,,,,,,,,,,
CCOc1nnnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3,CID659472,,0.0,,0.0,,,,0.0,,,0.0,,,,,,0.0
COc1nnnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3,CID658139,,0.0,,,,,,0.0,,,,,,,,,0.0
Cc1ccc(S(=O)(=O)Cn2nnnc2CN2CCN(C(=O)c3ccco3)CC2)cc1,CID650112,,,,,,,,,,,,,,,,0.0,
Cc1ccc(S(=O)(=O)Cn2nnnc2C(C)N2CCN(C(=O)c3ccco3)CC2)cc1,CID651120,0.0,,0.0,0.0,,,,,,,,,,,,0.0,0.0
COc1ccc(-n2cnnc2SCc2cnc(-c3ccccc3)s2)cc1,CID2532461,0.0,,0.0,,0.0,0.0,,,,0.0,0.0,,0.0,,,,
c1ccc(-c2ncc(CSc3nncn3-c3ccccc3)s2)cc1,CID4879558,,,,,,0.0,,,,0.0,,,,,,,
COc1ccc(CCn2c(-c3ccco3)nc3ccccc3c2=O)cc1OC,CID1076035,0.0,,0.0,,0.0,,0.0,,0.0,0.0,,,,0.0,,,
CCOc1ccc(CCn2c(-c3ccco3)nc3ccccc3c2=O)cc1OCC,CID2024475,,,,,,,,,0.0,,,0.0,,,,,
Cc1nnc(SCC(=O)NCc2ccco2)n1-c1ccc(F)cc1,CID1080944,,,,,,,,,,0.0,,,,,,,
Cc1nnc(SCC(=O)NCc2ccco2)n1-c1ccccc1,CID977550,,,,,,0.0,,,,,0.0,,,,,,
CC(=O)Oc1ccc2c(=O)c(-c3nc4ccccc4s3)coc2c1,CID679717,,,,,,,,,,,,,,0.0,0.0,,
CCCc1cc2c(=O)c(-c3nc4ccccc4s3)c(COCC(=O)O)oc2cc1O,CID5506031,,,,,,,,,,,,,,,0.0,,
COc1ccc(NC(=O)COC(=O)c2ccc(OCc3c(C)noc3C)cc2)cc1OC,CID2448238,,,,,,,,,0.0,0.0,,,,,,,
CCN(C(=O)COC(=O)c1ccc(OCc2c(C)noc2C)cc1)c1ccccc1,CID2570521,,,,,,,,,0.0,0.0,,0.0,,0.0,,,
COc1ccc(-c2noc(CSc3nc(=O)cc(-c4ccccc4)[nH]3)n2)cc1,CID2229765,,,,,,0.0,,,,,,,,,,,
COc1ccc(-c2noc(CSc3nc(=O)cc(-c4ccccc4)[nH]3)n2)cc1OC,CID1254288,,,,0.0,0.0,,,,,,,,,,,,0.0
CC1(C(=O)O)COC(c2ccc([N+](=O)[O-])cc2)OC1,CID591823,,,,,,,,,,0.0,,,,,,,
COC(=O)c1ccc(C2OCC(C)(C)CO2)cc1,CID705276,,,,,,,,,,,,,,0.0,,,
COc1ccc(C)cc1NC(=O)NCCC1=CCCCC1,CID972100,,,,,,,0.0,,,,,0.0,,,,,0.0
COc1cccc(NC(=O)NCCC2=CCCCC2)c1,CID6470155,,,,,,,,,,,,,,0.0,,,
CCCCSCc1[nH]c(=O)[nH]c1C(=O)CCCCC(=O)OCC,CID3768472,,0.0,0.0,,,,,,,,0.0,,,,,,
Cc1[nH]c(=O)[nH]c1C(=O)CCCCC(=O)O,CID88309,,,,,,,,,,,,,,0.0,,,
COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2nccs2)cc1,CID5309904,,,,,,,0.0,,,,,,0.0,,,,
Cc1csc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)n1,CID5308162,,,,,,,,,,,,,0.0,,,,0.0
O=C(c1ccccc1)c1cccc(NC(=O)c2ccc(Br)o2)c1,CID1310485,,,,,,,,,0.0,,,0.0,,,,,
O=C(c1ccccc1)c1cccc(NC(=O)c2ccco2)c1,CID1332671,,,,0.0,,,0.0,,,,,,,,,,
Cc1ccc(-c2csc3ncnc(SCC(=O)c4ccc5c(c4)OCCO5)c23)cc1,CID1300201,,,,,,0.0,,,,,,,,0.0,,,
Cc1sc2ncnc(SCC(=O)c3ccc4c(c3)OCCO4)c2c1-c1ccccc1,CID1186185,,,,,,,,,,,,,,0.0,,,
Clc1ccccc1NC1=NN=C(c2cccs2)CS1,CID5001117,,,,,,,,,,,,,,,0.0,,
CC(C)c1ccc(NC2=NN=C(c3cccs3)CS2)cc1,CID3619557,,,,,,,,,,,,,,0.0,,,
COC1=C/C(=C/NN(C)c2ccccc2)C=C(Cl)C1=O,CID5838729,,,,,,,,,,,,,,0.0,,,
COC1=C/C(=C/NN(C)c2ccccc2)C=CC1=O,CID5333428,,,,,,,,,,0.0,,,,,,,
C/N=C1/SC(CC(=O)Nc2ccc(N3CCOCC3)cc2)C(=O)N1C,CID2939340,,,,0.0,,,,,,,,,,,,,
CC/N=C1/SC(CC(=O)Nc2ccc(N3CCOCC3)cc2)C(=O)N1CC,CID3147898,,,0.0,,,,,0.0,,,0.0,,,,,,
COc1ccc(C(=O)/C=C2\NCC3c4ccccc4CCN3C2=O)cc1,CID5788151,,,,,,0.0,,,,,,,,,,,
O=C(/C=C1\NCC2c3ccccc3CCN2C1=O)c1ccccc1,CID5951878,,,,,,0.0,,,,,,,,,,,
CC(C)(C)c1ccc(-c2conc2N)cc1,CID973121,,,,0.0,,,,,,0.0,,0.0,,,,,
CCOc1cc(-c2conc2N)cc(OCC)c1OCC,CID973111,,,0.0,0.0,,,0.0,0.0,,,,0.0,0.0,,,,
CN(CC(=O)OCC(=O)Nc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1,CID2363156,,,,,,,,,,0.0,,,,,,,
CC(C)N(C(=O)COC(=O)CNS(=O)(=O)c1ccccc1F)c1ccccc1,CID2449283,,,,,,,,,,,,,,0.0,,,
Cc1ccc(N2C(=O)c3sc4nnc(C)c(=O)n4c3C2=O)cc1,CID659868,,0.0,,,,,,,,0.0,,,,,,,0.0
CCc1ccc(N2C(=O)c3sc4nnc(C)c(=O)n4c3C2=O)cc1,CID2790352,0.0,0.0,,,,0.0,,,0.0,,,,,,,,
CCn1nnc(NC(=O)CSc2ccc(Cl)cc2)n1,CID973129,,,0.0,,,,,,,,0.0,,,,,,0.0
Cn1nnc(NC(=O)CSc2ccc(Cl)cc2)n1,CID934138,,,,0.0,,,0.0,,,,,,,,,,0.0
O=C(c1cnc2n(c1=O)CCS2)N(c1ccccc1)C1CCCCC1,CID3245630,0.0,0.0,,,0.0,,,,,,,,0.0,,,0.0,
Cc1cccc(N(C(=O)c2cnc3n(c2=O)CCS3)C2CCCCC2)c1,CID3245037,0.0,,,,0.0,,,0.0,,,,,,0.0,0.0,0.0,
COc1ccc(Nc2nc(N)nc(CSc3n[nH]c(-c4ccccc4)n3)n2)cc1,CID645323,,,,,,,,,,,,,0.0,,,,
Nc1nc(CSc2n[nH]c(-c3ccccc3)n2)nc(Nc2ccccc2)n1,CID661324,,,,,,,,,,,0.0,,0.0,,,0.0,
COc1cc(Nc2ccc(C)cc2)c([N+](=O)[O-])nc1[N+](=O)[O-],CID2784726,,,,,,,,,,,,0.0,,,,,
COc1cc(Nc2ccccc2Cl)c([N+](=O)[O-])nc1[N+](=O)[O-],CID2848477,,,,,,,,,,,,,,,0.0,,
COc1ccc(NC(=O)/C=C2\SC(=O)NC2=O)cc1,CID1416706,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1NC(=O)/C=C1\SC(=O)NC1=O,CID1346464,,,,,,,,,,,,,,0.0,,,
Cc1snc(S(=O)(=O)/C(C#N)=N/Nc2ccccc2)c1C#N,CID2764747,,,,,,,,,,0.0,,,,,,,
COc1ccc(N/N=C(\C#N)S(=O)(=O)c2nsc(C)c2C#N)cc1,CID2764776,,,,,,,,,,0.0,,,,,,,
CCC(NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)NC1CCCCC1,CID2930202,0.0,,0.0,,,0.0,,,,,,,,,,,0.0
CCC(C)C(NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)NC1CCCCC1,CID2928886,0.0,,,,,0.0,,,,,,,,,,,0.0
Cc1sc(NC(=O)c2ccco2)c(C(c2cccnc2)N2CCC(C)CC2)c1C,CID3875781,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C1CCN(C(c2cccnc2)c2c(NC(=O)c3ccco3)sc(C)c2C)CC1,CID3245442,,0.0,,0.0,,0.0,,0.0,,,,,,,,,
COC(=O)CC1(C(=O)OC)CN(C#N)N(c2ccc(Cl)cc2)C12c1ccccc1-c1ccccc12,CID6552076,,,,,,,,,0.0,,,,,,,,
COC(=O)C1CN(C#N)N(c2ccc(Cl)cc2)C12c1ccccc1-c1ccccc12,CID3609942,,,,,,,,,,,0.0,,,,,,
Clc1ccc(/C=N/Nc2nn[nH]n2)cc1,CID6611590,,,,,,,,,,,,0.0,,,,,
Fc1ccc(/C=N/Nc2nn[nH]n2)cc1,CID3706607,,,,,,,,,,,,,,,0.0,,
CN(C)c1ccc(C(c2nnnn2CCOC(=O)Nc2ccc(Cl)cc2)N2CCOCC2)cc1,CID645507,,,0.0,,,,,,,,,0.0,,,,,
O=C(Nc1ccc(Cl)cc1)OCCn1nnnc1C(c1ccccc1)N1CCOCC1,CID3242324,,,,,,,0.0,,,,,0.0,0.0,,,,
C=CCn1c(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)nc2scc(-c3ccccc3)c2c1=O,CID985284,,,,,,,,,,,,0.0,,,,,
C=CCn1c(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)nc2sc(C)c(-c3ccccc3)c2c1=O,CID1186193,,,,,,,,,,0.0,,0.0,,,,,
CC1CCN(S(=O)(=O)c2ccc(NC(=O)Cc3cccs3)cc2)CC1,CID2931550,,,,,,,,,,,0.0,,,,,,
O=C(Cc1cccs1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1,CID1305863,,,,,0.0,,,,,,0.0,,,0.0,0.0,,
O=C(NC1(C(F)(F)F)Oc2ccccc2O1)N1CCC2(CC1)OCCO2,CID1279745,,,,,,,,,0.0,,,,,,,,0.0
O=C(NC1(C(F)(F)F)Oc2ccc(Cl)cc2O1)N1CCC2(CC1)OCCO2,CID3243924,,,,,,,,,,,,0.0,,,,,
O=C(Cn1ccc2ccccc2c1=O)Nc1ccc2c(c1)OCO2,CID3240752,,,,,,,,,,,,0.0,0.0,,,0.0,0.0
Cc1cc2ccccc2c(=O)n1CC(=O)Nc1ccc2c(c1)OCO2,CID3236683,,,,,,,,,0.0,,,,,,,0.0,0.0
O=C(NCc1ccco1)c1ccc(N2CCCC2=O)cc1,CID3235861,,,,0.0,,,0.0,0.0,,,,,,,,,
CN(Cc1ccco1)C(=O)c1ccc(N2CCCC2=O)cc1,CID3242811,,,,,,,,,,,,,0.0,,,,
Cc1ccc(-c2nnn(CC(=O)N(CC3CCCO3)C(C(=O)NC3CCCC3)c3ccc(F)cc3)n2)o1,CID3174716,,,,,,,,,,,0.0,,,,,,
COc1ccc(C(C(=O)NC2CCCC2)N(CC2CCCO2)C(=O)Cn2nnc(-c3ccc(C)o3)n2)cc1,CID3180246,,,,,,,,,,,,,,0.0,,,
Cc1cccc(C)c1OCC(=O)NNC(=O)c1ccoc1C,CID969127,,,,,,,,,,,,0.0,,,,,
Cc1cc(C)cc(OCC(=O)NNC(=O)c2ccoc2C)c1,CID926891,,,,,,,,,,,,0.0,,,,,
CCOC(=O)C1=C(CSCc2ccccc2)NC(=O)NC1c1cc(C)ccc1C,CID2972875,,,,,,,,,,,,,,0.0,,,
COC(=O)C1=C(CSCc2ccccc2)NC(=O)NC1c1cc(C)ccc1C,CID2980792,,,,,,0.0,,,,,,,,,,,
CCOc1ccc2nc(SCC(=O)Nc3nonc3C)[nH]c2c1,CID1508655,,,,,,,,,,,,,,,0.0,,
COc1nonc1NC(=O)CSc1nc2ccccc2[nH]1,CID644825,,0.0,,,,,,0.0,,,,0.0,,,,,
Cc1cc2c(nn1)CCc1nonc1-2,CID3246751,,0.0,,,,,,0.0,,,,,,,,,
Cc1cnnc2c1-c1nonc1CC2,CID604633,,,,,,,0.0,0.0,,,,,,,,,
CCOc1ccc(N2C(=O)CN(CC(=O)OC)C2=S)cc1,CID968836,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(N2C(=O)CN(C)C2=S)cc1,CID897674,,,,,,,,,,,,,,,0.0,,
Cc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)n1-c1ccccc1,CID1310185,,,,,,,,,,,,,,0.0,,,
COc1ccc(-n2c(C)cc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c2C)cc1,CID1310155,,,,,,,,,,,,,,0.0,,,
O=Cc1c(N2CCCCCC2)nc2ccccn2c1=O,CID918404,,,,,,,,,0.0,,,,,,0.0,,
Cc1cccn2c(=O)c(C=O)c(N3CCCCCC3)nc12,CID687490,,,,,,,,,0.0,,,0.0,,0.0,,,
CC1=NN(c2ccc(C)cc2C)C(=O)C1C(c1ccccc1O)C1C(=O)N(c2ccc(C)cc2C)N=C1C,CID3099946,,,,,,,,,,,,,,,0.0,,
CC1=NN(c2ccc(C)cc2C)C(=O)C1C(c1ccccc1)C1C(=O)N(c2ccc(C)cc2C)N=C1C,CID3099944,,,,,,,,,,,,,,0.0,,,
O=C(O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1,CID885509,,,,,,,,,,,,0.0,,0.0,,,
Cc1ccc(/C=C/S(=O)(=O)N2CCC(C(=O)O)CC2)cc1,CID2560409,,,0.0,,,,,,0.0,,,0.0,,,,0.0,
CC(C)n1c(-c2ccco2)cs/c1=N\c1cccnc1,CID2998728,,,0.0,,,0.0,,,,,,,,,,0.0,
CC(C)Cn1c(-c2ccco2)cs/c1=N\c1cccnc1,CID3958003,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C(=O)Nc2cnc3sc(C)nn3c2=O)cc1,CID2233157,,0.0,,0.0,,,,,0.0,0.0,,0.0,,,,0.0,
Cc1nn2c(=O)c(NC(=O)c3ccc(F)cc3)cnc2s1,CID2239640,,0.0,,,,,0.0,,,0.0,,,,,0.0,0.0,
c1cnn(-c2cc(N3CCOCC3)ncn2)c1,CID661544,,0.0,0.0,0.0,,,,,,,,,,,,,
Cc1cc(C)n(-c2cc(N3CCOCC3)ncn2)n1,CID321075,,0.0,,0.0,,,,,,,,,,0.0,,,
Cc1cc2nnc(SCC(=O)NCc3cccs3)n2c2ccccc12,CID1184257,,,,,,,,,0.0,,,,,,,,
Cc1cc2ccccc2n2c(SCC(=O)NCc3cccs3)nnc12,CID1374077,,,,,,,,,,0.0,,,,,,,
CCOC(=O)C1=C(C)OC(N)=C(C#N)C1C1CCCCC1,CID2928110,,0.0,,0.0,,0.0,,0.0,,0.0,,,,,,0.0,0.0
COC(=O)C1=C(C)OC(N)=C(C#N)C1C1CCCCC1,CID3236164,0.0,0.0,,0.0,,,,,,0.0,,,,,,,0.0
COc1ccccc1N(CN1C(=O)c2ccccc2C1=O)C(=O)c1cccc(C)c1,CID2307573,,,,,,,,,,,,,,0.0,0.0,,
O=C1c2ccccc2C(=O)N1CN(C(=O)c1ccccc1)c1ccc(O)cc1,CID1380689,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1OCCSCc1nc2ccccc2[nH]1,CID1589778,,,,,,,,,,,,,,0.0,,,
Cc1cccc(OCCSCc2nc3ccccc3[nH]2)c1,CID1589781,,,,,,0.0,,,,,,,,,,,
CCOC(=O)/C(=C\c1ccccc1)C(=O)c1cc(C(C)=O)c(Nc2ccccc2)s1,CID5336094,,,,,,,,,,0.0,,,,,,,
CCOC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)c1cc(C(C)=O)c(Nc2ccccc2)s1,CID5725106,,,,,,0.0,,,,,,,,,,,
Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1C,CID750529,,,,,,,,,,,,,,0.0,,,
CCn1c(C)cc(C=C2C(=O)c3ccccc3C2=O)c1C,CID848081,,,,,,,,,,,,,,0.0,,,
O=C(CSc1ncccn1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1,CID2592872,,,,,,,,,0.0,,,,,,0.0,,
Cc1cc(C)nc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)n1,CID2443897,,,,,,,,,0.0,0.0,0.0,,,,,,
Cc1ccc(-c2ccc(/C=N/c3ncn[nH]3)o2)cc1Cl,CID659738,0.0,0.0,0.0,0.0,,,0.0,,,,,,,,0.0,0.0,0.0
Clc1ccc(Cl)c(-c2ccc(/C=N/c3ncn[nH]3)o2)c1,CID659930,0.0,,0.0,,,,,,0.0,,,,0.0,,,,
COCCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1ccc(OC(=O)c2ccco2)cc1,CID2909378,,0.0,,,,,,,,,,,,,0.0,0.0,
C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1ccc(OC(=O)c2ccco2)cc1,CID2909142,,,,,0.0,,,,,,0.0,,0.0,,,0.0,0.0
Clc1ccc(CSc2nncn2-c2ccccn2)cc1,CID649856,0.0,,,,0.0,,,,,,,,0.0,,,0.0,0.0
c1ccc(CSc2nncn2-c2ccccn2)cc1,CID650266,0.0,,0.0,0.0,,,,0.0,,,,,0.0,,,,
CC(C)n1c(SCC(=O)c2ccc3c(c2)OCCO3)nc2c1c(=O)n(C)c(=O)n2C,CID649858,,,,,,0.0,,,,0.0,,,0.0,,,,0.0
CCCn1c(SCC(=O)c2ccc3c(c2)OCCO3)nc2c1c(=O)n(C)c(=O)n2C,CID651111,,,,,,,,,,,,,,,,,0.0
CCn1cc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2cc(OC)c(OC)cc2c1=O,CID3237916,,,0.0,,,,,,0.0,,,0.0,,,,,
COc1cc2c(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cn(C)c(=O)c2cc1OC,CID3241120,,,,,,,,,,,,0.0,,,0.0,,
COc1nc(N)nc(NC23CC4CC(CC(C4)C2)C3)n1,CID2941965,,0.0,,,,,0.0,,,,,,,,,0.0,
COc1nc(NC23CC4CC(CC(C4)C2)C3)nc(OC)n1,CID2835547,,,,,,,,,,,,,,0.0,,,0.0
O=C(NC(=S)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)C1CC1,CID2206613,,,,,,,,,,,,,,0.0,,,
CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)C2CC2)cc1,CID1792132,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccc(NC(=O)CC2C(=O)NC3CCCCC3N2C(=O)c2ccc(F)cc2)cc1C,CID2984764,,,,,,,,,,,,,0.0,,,,
COc1ccccc1C(=O)N1C(CC(=O)Nc2cc(Cl)ccc2C)C(=O)NC2CCCCC21,CID4895986,,,,,,,,,,0.0,,,,,,,
CCN(CC)c1ccc(C(=O)OCC(=O)N2CCN(c3ccccc3)CC2)cc1,CID2998173,0.0,,,0.0,0.0,,0.0,,,,,,,,,,
O=C(OCC(=O)N1CCN(c2ccccc2)CC1)c1cccc(Cl)c1,CID978516,,,,,,,,,,0.0,,,,,,,
COCCN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2C)SC1=S,CID2187440,,,,,,,,,,,,,,0.0,0.0,,
COCCN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2)SC1=S,CID2189900,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC(=S)NNC(=O)c2cn(C)nc2C)cc1,CID842630,,,,,,,,,,,,,,0.0,,,
Cc1nn(C)cc1C(=O)NNC(=S)Nc1ccc(F)cc1,CID1229788,,,,,,,,,,,,0.0,,,,,
CCOC(=O)C1=C(C)SC2=NS(=O)(=O)CCN21,CID2998332,,,,,,,,,,0.0,0.0,,,,,,
CCOC(=O)CC1=CSC2=NS(=O)(=O)CCN12,CID722193,,,,,,,,,0.0,0.0,,,0.0,,,,
Cc1c(Cl)cccc1NC(=O)CC(C(=O)O)C1CCCO1,CID646506,,0.0,,,,,0.0,,,,,,,0.0,,0.0,0.0
O=C(CC(C(=O)O)C1CCCO1)Nc1cccc(C(F)(F)F)c1,CID651092,,,,,,,,,0.0,,,,,,,,
CCN1C(=S)SC(=O)C1=C1C=C(C)N(CCOC)C(C)=C1,CID2998335,,,0.0,,0.0,,,,,0.0,0.0,,,,,,
CCN1C(=S)SC(=O)C1=C1C=C(C)N(CCO)C(C)=C1,CID2369444,,,0.0,,0.0,0.0,,,,0.0,,,,0.0,,0.0,
CC(C(=O)NC1=NCCS1)N1C(=O)C2CC=CCC2C1=O,CID2999065,,,,0.0,,,,0.0,,,0.0,,,,,0.0,
O=C(CN1C(=O)C2CC=CCC2C1=O)NC1=NCCS1,CID2999662,,0.0,,,,,,,,,,,,,,0.0,0.0
Cc1cc(NC(=O)Cn2nnc3sc4c(c3c2=O)CCC(C(C)(C)C)C4)no1,CID644900,,,0.0,,,,,0.0,,,,,,,,,
Cc1cc(NC(=O)Cn2nnc3sc4c(c3c2=O)CCCC4)no1,CID650727,,,,0.0,,,0.0,,0.0,,,,,,,0.0,
O=c1[nH]cnc2scc(-c3cccs3)c12,CID665387,,,,,,,0.0,,,0.0,0.0,0.0,,,,,
O=C(O)Cn1cnc2scc(-c3cccs3)c2c1=O,CID2608751,,,,,0.0,,0.0,,0.0,,,,0.0,,,,
O=C(CN(Cc1ccccc1F)C(=O)Cn1nnc(-c2cccs2)n1)NCC1CCCO1,CID644906,0.0,,0.0,,,,,,0.0,0.0,,,,,,0.0,
O=C(CN(Cc1ccccc1Cl)C(=O)Cn1nnc(-c2cccs2)n1)NCC1CCCO1,CID652137,,,,,,,,,0.0,,,,,,,,
O=[N+]([O-])c1ccc(Cl)c(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)c1,CID1575139,,,,,,0.0,,,,,,0.0,,,,,
O=[N+]([O-])c1cc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)ccc1Cl,CID1936466,,,,,,0.0,,,,,,,,,,,
Cc1cc(C)c(C#N)c(SCC(=O)NC2CC2)n1,CID657916,,0.0,,0.0,,,0.0,,,0.0,0.0,,,,,,
Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)NC2CC2)n1,CID658164,0.0,,,,0.0,,,,,0.0,,,,,,,0.0
Cc1ccc(SCCNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1,CID646760,,,0.0,,0.0,,,,0.0,,,,0.0,0.0,0.0,,0.0
O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCCSc1ccccc1,CID650209,,,,0.0,0.0,0.0,0.0,,0.0,0.0,0.0,,0.0,0.0,,,
CCOC(=O)C1=C(C)/C(=N/Nc2cccc(C)c2)N=C1C,CID7453857,,,,,,,,,,0.0,,,,,,,
CCOC(=O)C1=C(C)/C(=N/Nc2ccc(C)cc2C)N=C1C,CID7789137,,,,,,,,,0.0,,,,,,,,
COc1cccc(CN(C(=O)c2cc3ccccc3oc2=O)C2CC2)c1,CID652092,0.0,,,,,,,,0.0,,,,,,0.0,,
CCOc1ccc(CN(C(=O)c2cc3ccccc3oc2=O)C2CC2)cc1,CID3221336,,,,,,,,,0.0,,,,,,,,
COc1ccc(-c2ccc(-c3nnc(-c4cc(OC)ccc4OC)o3)cc2)cc1,CID652093,,0.0,,,,,,0.0,0.0,,,,,,,,
Nc1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1,CID628602,0.0,,0.0,0.0,,0.0,,,,,,,,,,,0.0
CCc1cc2c(=O)n(C(C)C(=O)OC3CCCCC3)cnc2s1,CID2793214,,,,0.0,,,0.0,0.0,0.0,,,0.0,,0.0,,,
Cc1sc2ncn(C(C)C(=O)OC3CCCCC3)c(=O)c2c1C,CID2790933,,,,,,,,,,,,0.0,,0.0,,,
N#C/C(=C\c1cccs1)C(=O)NCc1ccco1,CID759922,,,,,,,,,,,,,,,0.0,,
Cc1ccsc1/C=C(\C#N)C(=O)NCc1ccco1,CID759842,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)c2c(c1)NC(=O)C2(O)CC(=O)c1cccs1,CID2950920,,,0.0,0.0,0.0,,0.0,0.0,,,,,,,,,
Cc1ccc(C(=O)CC2(O)C(=O)Nc3ccccc32)s1,CID2957471,,,,,,,,,,,,,,0.0,,,
CCn1nc(C(=O)N2CCc3ccccc3C2)c2ccccc2c1=O,CID2564837,,,,,,0.0,0.0,,0.0,,,,0.0,0.0,,,0.0
Cn1nc(C(=O)N2CCc3ccccc3C2)c2ccccc2c1=O,CID2449572,,,,,,,,,0.0,,,,,0.0,,,
Cc1ccc(CN2CCN(/N=C/c3ccco3)CC2)c(C)c1,CID829070,,,,,,,,,0.0,,,0.0,,,0.0,,
Cc1ccc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)o1,CID761074,,,,,,,,,,,0.0,,,,0.0,,
Cc1snc2sc(C(=O)c3ccc(Br)cc3)c(N)c12,CID1484484,,,,,,,,,1.0,,,,,,,,
Cc1ccc(C(=O)c2sc3nsc(C)c3c2N)cc1,CID1484481,,,,,,,,,,0.0,0.0,,,,,,
COc1ccc(Cn2ccc(=O)c(Cc3c(Cl)cccc3Cl)c2C)cc1,CID1484487,,,,,,,,,,,,0.0,,,,,
O=c1ccn(Cc2ccc(Cl)cc2Cl)c(O)c1Cc1ccc(F)cc1,CID1488976,,,,,,,,,,,,0.0,,,,,
COc1cc2nc(C3CCC3)n(NC(=O)C3CCCC(OC)C3)c(=O)c2cc1OC,CID653945,,,0.0,,0.0,,0.0,,0.0,,,,,,,,
COc1cc2nc(C3CCC3)n(NC(=O)C3CCC(OC)CC3)c(=O)c2cc1OC,CID654824,,,0.0,,0.0,0.0,,,0.0,0.0,0.0,0.0,,,,,
COCCN(C(=O)c1csnn1)C(C(=O)NC1CCCCC1)c1sccc1C,CID653941,,0.0,,,0.0,,,,0.0,,,,,,,0.0,0.0
COCCN(C(=O)c1csnn1)C(C(=O)NC1CCCCC1)c1cccs1,CID645704,0.0,0.0,,,0.0,,0.0,,0.0,,0.0,,0.0,,,0.0,0.0
COc1ccc2cc(C(c3nnnn3CCc3ccccc3)N3CCC(O)CC3)c(=O)[nH]c2c1,CID652631,,,,,,,,,,0.0,,,0.0,,,,
COc1ccc2cc(C(c3nnnn3CCc3ccccc3)N3CCC(C)CC3)c(=O)[nH]c2c1,CID652787,,,,,,,,,0.0,0.0,0.0,0.0,,,,,
Cc1cccc(OCC(=O)Nc2ccccc2-c2ccccc2)c1,CID879397,,,,,,,,,,,,,,0.0,,,
O=Cc1ccc(OCC(=O)Nc2ccccc2-c2ccccc2)cc1,CID856309,,,,,,,,,,,,,,,0.0,,
CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccccc3OC)o2)cc1,CID2158923,,,,,,0.0,,,,,,,,,,0.0,
COc1ccccc1-c1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)o1,CID2159040,,,,,,,,0.0,0.0,0.0,,,0.0,,,0.0,0.0
Cc1ccc(C(=O)NNC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(C)cc2)cc1,CID1142967,,,,,,0.0,,,,,,,,,,,
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1)NNC(=O)c1cccc(O)c1,CID1169629,,,,,,,,,,,,,,,0.0,,
COc1ccc(CCNCc2ccncc2)cc1OC,CID2055766,,,,,,,,,,,,0.0,,,,,
COc1ccc(CCN(C)Cc2ccncc2)cc1OC,CID782414,,,,0.0,0.0,,0.0,,,0.0,0.0,,0.0,,,0.0,0.0
COc1ccc2c(Cl)c(C(=O)NC3CCS(=O)(=O)C3)sc2c1,CID648597,,,,,,0.0,,,0.0,,,,,,,,
O=C(NC1CCS(=O)(=O)C1)c1sc2ccccc2c1Cl,CID2810899,,,,,,,,,,,,,,0.0,0.0,,
COc1ccccc1NC(=O)Cc1noc(CSc2nnc(N)s2)n1,CID2477053,,,,,,,,,0.0,,,,,,,,
COc1ccccc1NC(=O)Cc1noc(CSc2nnc(C)s2)n1,CID2530081,,,,,0.0,0.0,,,0.0,,,,,,,0.0,0.0
CC(=O)N1CCN(C2=Nc3cccc4cccc2c34)CC1,CID2328568,,,,,,,0.0,0.0,,,,,0.0,,,,
CCOC(=O)N1CCN(C2=Nc3cccc4cccc2c34)CC1,CID2328849,,,,,,,0.0,,,,,,0.0,0.0,0.0,0.0,
CNC(=O)c1ccc(-c2sc3nc(N4CCOCC4)c4c(c3c2N)CCCC4)o1,CID1347077,,,0.0,0.0,0.0,,,,,,0.0,,,,,0.0,
COC(=O)c1ccc(-c2sc3nc(N4CCOCC4)c4c(c3c2N)CCCC4)o1,CID658104,,0.0,,,0.0,,,,,,,,,,0.0,0.0,0.0
O=C(CCCNS(=O)(=O)c1cccs1)N1CCN(c2ccc(F)cc2)CC1,CID3238484,,,0.0,,0.0,,,,,,0.0,,0.0,,,,
O=C(CCCNS(=O)(=O)c1cccs1)N1CCN(c2cccc(Cl)c2)CC1,CID3237909,,,,,,,,,,,0.0,,,,,,
Cc1nc2cc(-c3ccccc3)nn2c(C)c1CCC(=O)N1CCN(c2ccccn2)CC1,CID9550161,,,,,,,,,,,,,,,0.0,,
Cc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)N1CCN(c2ccccn2)CC1,CID5308495,,,,,,,,,,,,,0.0,,,0.0,
O=S(=O)(Nc1cc(Cl)ccc1N1CCCCC1)c1cccs1,CID2572988,,0.0,,,,,,,0.0,,,,,0.0,,,
O=S(=O)(Nc1ccccc1N1CCCCC1)c1ccc(Cl)s1,CID2111037,,,,,,0.0,,,0.0,,,,,0.0,0.0,,
COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)N2CCOCC2)cc1,CID5309001,0.0,,,,,,,,,,,,0.0,,,0.0,
Cn1cccc1Cc1nnc(SCC(=O)N2CCOCC2)n1-c1ccc(F)cc1,CID5308822,0.0,,,,,,,,,,,,,,,,
CCOC(=O)c1sc(NC(=O)C2CC2)nc1C,CID2392213,,,,,,,0.0,,,,0.0,0.0,,,,,0.0
Cc1nc(NC(=O)C2CC2)sc1C(=O)N(C)C,CID844712,,,,,,,,,,,,0.0,,,,,
CCN1CCN(Cc2ccc(OC)c(OCc3ccccc3)c2)CC1,CID783516,0.0,,,0.0,,,,,,,,0.0,,,,,0.0
COc1ccc(CN2CCN(C)CC2)cc1OCc1ccccc1,CID782865,,,0.0,0.0,,,,,,,,,0.0,,,,0.0
COc1ccc(C(=O)N/N=C/C2CC=CCC2)cc1OC,CID3410870,,,,,,,,,,,,,,,0.0,,
O=C(N/N=C/C1CC=CCC1)c1ccccc1O,CID4305926,,,,,,,,,,,,0.0,,,,,
O=C(CCCn1c(=O)[nH]c2ccccc2c1=O)NC1CCCCCC1,CID3243705,,,0.0,,0.0,,,,0.0,,,,,,0.0,,
O=C(CCCn1c(=O)[nH]c2cc(Cl)ccc2c1=O)NC1CCCCCC1,CID9550411,,,,,,,,,,,0.0,,,,,,
NC(=O)CSc1nnc(CNc2cccc(Cl)c2)n1CCc1ccccc1,CID656097,,0.0,0.0,,0.0,,0.0,,,,,0.0,,,,,0.0
Cc1ccc(NCc2nnc(SCC(N)=O)n2CCc2ccccc2)cc1,CID652728,,,0.0,,0.0,,0.0,,,0.0,0.0,,,,,,
C/C(=N\NC(=O)c1cc(C)nc2ccccc12)c1ccco1,CID4372542,,,,,,,,,,,,,,0.0,,,
CCCc1cc(C(=O)N/N=C/c2ccc(C)o2)c2ccccc2n1,CID842163,,,,,,0.0,,,,,,0.0,,,,,
O=C(O)CC(NC(=O)C1c2ccccc2Oc2ccccc21)c1ccc(Cl)cc1,CID4989413,,,,,,,,,,,,,,0.0,,,
COc1ccc(CNC(=O)C2c3ccccc3Oc3ccccc32)cc1,CID669611,,,,,,0.0,,,,,,,,,,,
COC1=C/C(=c2/[nH]c3n(/c2=N\c2ccc(C)cc2)C=CNC=3)C=CC1=O,CID9550109,,,,,,,,,,,,,,,0.0,,
COC1=C/C(=c2/[nH]c3n(/c2=N\c2ccccc2)C=CNC=3)C=CC1=O,CID6324566,,,,,,,,0.0,,,,0.0,,,,,
CCN(CC)C(=O)Cn1cnc2sc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c(C)c2c1=O,CID9550931,,,,,,,,,,,,0.0,,,,,
CCn1cnc2sc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c(C)c2c1=O,CID3241114,,,0.0,,,,,,,,,0.0,,,,,0.0
COc1ccc(CCNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1,CID1043833,,,,,,,,,,,0.0,,,,,,
NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(N2CCCC2=O)cc1,CID2973406,,,,0.0,0.0,,,,,,,,,,,0.0,
CC(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NC2CCS(=O)(=O)C2)cc1,CID5349612,,,,,,0.0,,,,,,,,,,,
O=C(NC1CCS(=O)(=O)C1)/C(=C\c1ccccc1)NC(=O)c1ccccc1,CID5908320,,,,,,,,,,,,,,,0.0,,
Cc1cccc(-n2c(=O)c3c(n4cnnc24)-c2ccccc2CC32CCCCC2)c1,CID1043839,,,,,,0.0,,,,,,,,,,,
Cc1ccccc1-n1c(=O)c2c(n3cnnc13)-c1ccccc1CC21CCCCC1,CID1344487,,,,,,0.0,,,,,,,,,,,
CC1(O)CC2(C)N(O)C3CCCCC3N2O1,CID5389124,,,,,,,,,,,,,0.0,,,0.0,
COC(C)(C)C12CC(O)(C(C)C)ON1C1CCCCC1N2O,CID5389127,,,,,,,,,0.0,,,,,,,,
Cn1/c(=N/c2ccc(N3CCOCC3)cc2)ccc2ccccc21,CID3241706,0.0,0.0,,,,,,,,,,,0.0,,,,
CCn1/c(=N/c2ccc(N3CCOCC3)cc2)ccc2ccccc21,CID652708,0.0,0.0,,,,,,,,,,0.0,,,,,
CC(NC(=O)Cn1nnc(-c2ccncc2)n1)c1ccccc1,CID3206386,,,,,,,,,,,,,,0.0,,,
COc1ccccc1CNC(=O)Cn1nnc(-c2ccncc2)n1,CID644968,,1.0,,,,,,,,,,,0.0,,,,
O=C(NCc1cccs1)c1nc2ncccn2n1,CID821815,,,,0.0,,,,,,0.0,,0.0,0.0,,,0.0,
Cc1ccnc2nc(C(=O)NCc3cccs3)nn12,CID2545222,,,,,,,,,,0.0,,,,,,,
CCOC(=O)CSc1nnc(CSc2nc3sc4c(c3c(=O)[nH]2)CCCC4)n1-c1ccccc1,CID1734887,,,,,,,,,0.0,,,,,,,,
C=CCSc1nnc(CSc2nc3sc4c(c3c(=O)[nH]2)CCCC4)n1-c1ccccc1,CID2248288,,,,,0.0,0.0,,,,,,,,,,,
Cc1c(NC(=O)c2cc3nc(-c4ccc(Cl)cc4)cc(C(F)(F)F)n3n2)c(=O)n(-c2ccccc2)n1C,CID1113983,,,,,,,,,,,,0.0,,,,,
Cc1c(NC(=O)c2cc3nc(-c4ccccc4)cc(C)n3n2)c(=O)n(-c2ccccc2)n1C,CID646654,,,,,,,0.0,,,,,,,,,,
CCOc1ccc(-c2csc(NC(=O)CSCC(=O)O)n2)c2ccccc12,CID2426566,,,,,,,,,,,,,,0.0,,,
CC(C)CC(=O)NC(=S)Nc1nc(-c2cccc3ccccc23)cs1,CID1326196,,,,,,0.0,,,,,,,,,,,
Cc1nc2sccn2c(=O)c1CCN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CID5074,0.0,,,,0.0,,,,,,,,,,,,
Cc1nc2sccn2c(=O)c1CCN1CCC(=C(c2ccccc2)c2ccc(F)cc2)CC1,CID3012,0.0,,,,,,,,,,,,0.0,,,,
O=c1n(Cc2ccc(Cl)cc2)c2sc3c(c2c2ncnn12)CCCC3,CID2243267,0.0,,,,0.0,,,,,,,0.0,,,0.0,,0.0
O=c1n(Cc2ccccc2Cl)c2sc3c(c2c2ncnn12)CCCC3,CID665384,0.0,,,,0.0,,,,,,0.0,,,,,,
Cc1cc(C)n2nc(C(=O)NC(c3ccccc3)c3ccccc3)nc2n1,CID2088488,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)n2nc(C(=O)N(C)C(c3ccccc3)c3ccccc3)nc2n1,CID2438322,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)c2c(CC(=O)NCc3ccco3)coc2c1,CID1243461,,,0.0,0.0,,,0.0,,,,,,,,0.0,0.0,0.0
Cc1ccc2c(CC(=O)NCc3ccco3)coc2c1C,CID1248644,,,,,,,0.0,,,,0.0,0.0,,,,0.0,0.0
CSc1nc(C)cc(-n2ccc(=O)[nH]c2=O)n1,CID719065,,,,,,,,0.0,,,,,0.0,,,,
CSc1nc(C)cc(-n2cc(F)c(=O)[nH]c2=O)n1,CID719067,,,,,,,,,,0.0,,,,,,,
O=S(=O)(c1cccc2nsnc12)N1CCN(C/C=C\c2ccccc2)CC1,CID1557138,,,,,,,,,0.0,0.0,0.0,,,,,,
O=S(=O)(c1cccc2nsnc12)N1CCN(C/C=C/c2ccccc2)CC1,CID1120780,0.0,,,,0.0,0.0,0.0,,,,,,,,,,0.0
Cc1ccc(Nc2nnns2)cc1C,CID963037,,0.0,,0.0,,,,,,0.0,0.0,,0.0,,,,
Cc1ccc(Nc2nnns2)cc1,CID738490,,,,,,,,,,0.0,,,,,,,
CCc1nnc(NC(=O)CCn2cnc3ccccc3c2=O)s1,CID2945668,,,,,,,,,,,,,,,0.0,,
CC(C)(C)NC(=O)CSc1nnc(NC(=O)CCn2cnc3ccccc3c2=O)s1,CID1778875,,0.0,,0.0,,,,,0.0,,,0.0,,,,0.0,
O=C(CNC(=O)c1ccco1)NCC(=O)OCc1ccccc1Br,CID2233380,,,,,,,,,,,,,,,,0.0,
O=C(CNC(=O)c1ccco1)NCC(=O)OCc1cccc(Cl)c1,CID3158546,,,,,,,,,,,0.0,,,,,,
CC(=O)Nc1ccc2c(c1)nc(CCN1CCOCC1)n2C,CID666508,,0.0,,0.0,,,0.0,0.0,,,,0.0,,,0.0,,
CCCCC(=O)Nc1ccc2c(c1)nc(CCN1CCOCC1)n2C,CID666138,,0.0,,0.0,,,,0.0,,,,,0.0,,,,
COc1ccc(/C=N/NC(=O)c2c(-c3ccccc3)noc2C)cc1,CID728021,,,,,,,,,,,,,,,0.0,,
Cc1onc(-c2ccccc2)c1C(=O)N/N=C/c1cccc(O)c1,CID832152,,,,,,,,,,,,,,,0.0,,
COc1ccccc1-c1nnc(NC(=O)C(C)SC2=NCCS2)s1,CID4252621,,,,0.0,0.0,,,,,0.0,,,0.0,,,0.0,
CC(SC1=NCCS1)C(=O)Nc1nnc(-c2ccc(F)cc2)s1,CID5064440,,,,,,,,,0.0,,,,,,,,
CC1CCN(C(=O)COC(=O)c2cc(Cl)cc(Cl)c2N)CC1,CID2371635,,,,,,,,,0.0,,,,,,,,
CC1CCCC(C)N1C(=O)COC(=O)c1ccc(O)cc1,CID5015747,,,,,,,,,,,,,,0.0,,,
C=CCSc1nc2c(c(=O)[nH]1)C(C(C)C)C(C#N)=C(N)O2,CID4605879,,,,,,,0.0,0.0,,,,,,,,,
CCSc1nc2c(c(=O)[nH]1)C(C(C)C)C(C#N)=C(N)O2,CID4615084,,,,,,,,,,,0.0,,,,,,
OC(COc1ccc2ccccc2c1)Cn1ccnc1,CID652948,,,,,0.0,,,,0.0,0.0,,,,,,,
OC(COc1ccc2ccccc2c1Br)Cn1ccnc1,CID2945320,0.0,,,,,,,,0.0,,0.0,0.0,,,,0.0,0.0
CCN1CCN(c2nc3ccccc3nc2C(C#N)C(=O)OC2CCCCC2)CC1,CID663281,0.0,,0.0,,,,,,,,,0.0,0.0,,,,
CN1CCN(c2nc3ccccc3nc2C(C#N)C(=O)OC2CCCCC2)CC1,CID662387,0.0,,0.0,,,,,,,0.0,,0.0,,,,,
COC(=O)Nc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1,CID1541685,,,,,,,,,,,,,,0.0,,,
COc1ccc(Cl)cc1S(=O)(=O)N1CCC(Cc2ccccc2)CC1,CID1106586,,,,,,0.0,,,,,,,,,,,
COc1ccccc1-n1cnnc1SCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1,CID2091544,0.0,,0.0,0.0,,,,,,,0.0,,,,,,
COc1ccc(-n2cnnc2SCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)cc1,CID2479684,,,,,,,,,,,0.0,,,,,,
CCN1CC2=C(OC(N)=C(C#N)C2c2ccccc2)/C(=C\c2ccccc2)C1,CID5389017,,,,,,,,,,,,,0.0,,,,
COc1cccc(/C=C2/CN(C)CC3=C2OC(N)=C(C#N)C3c2cccc(OC)c2)c1,CID5389026,,,,,,,,0.0,,,,,,,,,
CCn1c(SCC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)nnc1-c1cccs1,CID2138934,,,,,0.0,,,,,,,0.0,,,,,
C=CCn1c(SCC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)nnc1-c1cccs1,CID660594,,,,,0.0,,0.0,,,,0.0,,,,,,
CCOc1ccc(N/N=C(\C(C)=O)C(=S)Nc2ccccc2)cc1,CID2359912,,,,,,,,,,,,,,0.0,,,
COc1ccccc1N/N=C(\C(C)=O)C(=S)Nc1ccccc1,CID2354375,,,,,,,,,,,,,,0.0,,,
Cc1[nH]c(-c2ccco2)nc1C(=O)O,CID3241466,,,,,,,,0.0,,0.0,,,0.0,,0.0,0.0,
c1coc(-c2ncc[nH]2)c1,CID665341,,,0.0,,,,,,,,,0.0,,,,,
CCc1ccc(-c2cc(C(=O)NCc3ccco3)c3ccccc3n2)s1,CID1261721,,,,,,,,,,,,0.0,,,,,
Cc1ccc(-c2cc(C(=O)NCc3ccco3)c3ccccc3n2)s1,CID2165595,,,,,,0.0,,,,,,,,0.0,,,
Cc1ccc(C(=O)NNC2=NCCC2)cc1,CID2068115,,,,,,,,,,,,0.0,,,,,
Cc1ccccc1C(=O)NNC1=NCCC1,CID2317616,,,,,,,,,,,0.0,0.0,,,,,
O=C(NCN1C(=O)C2C3C=CC(C3)C2C1=O)OC1CCCCC1,CID3238968,,0.0,0.0,,,0.0,,,,0.0,,0.0,0.0,,,,0.0
CC(NC(=O)OC1CCCCC1)N1C(=O)C2C3C=CC(C3)C2C1=O,CID3236083,,,,,,,0.0,,,,,,,0.0,0.0,,0.0
Cc1c(=O)n(OCc2ccccn2)c2ccccc2[n+]1[O-],CID976966,,0.0,,0.0,,,,0.0,0.0,0.0,,,0.0,,,,
O=c1c[n+]([O-])c2ccccc2n1OCc1ccccn1,CID976766,,,,,,,,,0.0,0.0,,,0.0,,0.0,,
CCOc1ccc(/C=N/Nc2ccccn2)cc1OC,CID3917548,,,,,,,,,,,,,,0.0,,,
COc1ccc(/C=N/Nc2ncccc2[N+](=O)[O-])c(OC)c1,CID2842296,,,,,,,,,,,,,,0.0,,,
O=c1nc2n(Cc3ccccc3)c3ccccc3cc-2c(=O)[nH]1,CID942384,,,,,,,,,,,,,,0.0,0.0,,
Cn1c(=O)nc2n(Cc3ccccc3)c3ccccc3cc-2c1=O,CID929592,,,,,,,,,,,,,,0.0,,,
CC(C)c1nnc(NC(=O)C2CCN(c3nc4ccccc4s3)CC2)s1,CID652116,,,,0.0,0.0,,,,,,,,,,,,0.0
CCOc1ccc2nc(N3CCC(C(=O)Nc4nnc(CC)s4)CC3)sc2c1,CID5308991,0.0,,,0.0,,,,,,,,,,,,0.0,
Nc1[nH]nc2nc(N3CCCC3)nc(-c3ccccc3)c12,CID3241090,,,0.0,,,,,,,,,,,,,,
CC(C)c1ccc(-c2nc(N3CCCC3)nc3n[nH]c(N)c23)cc1,CID3240623,,,,,,,,,,,,,,,,0.0,
COc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCC3)Cc3cccs3)n2)cc1OC,CID649135,,,,,,,,0.0,,,0.0,,,,,0.0,0.0
COc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)C(C)C(=O)NC3CCCC3)n2)cc1OC,CID649747,0.0,,,,,,,,,,0.0,,,,,,0.0
CC(=O)C1=C(O)C(=O)N(c2cccnc2)C1c1ccc(Cl)cc1,CID2891346,,,,,,0.0,,,0.0,,,,,,,,
COc1ccc(C2C(C(C)=O)=C(O)C(=O)N2c2cccnc2)c(OC)c1,CID660150,,,,0.0,,,,,,,,,0.0,,,0.0,
Cc1cc(C)n(C(=O)c2c([N+](=O)[O-])c(C)nn2C)n1,CID844737,,,,,,,,,,,,0.0,,,,,
Cc1nn(C(=O)c2c([N+](=O)[O-])cnn2C)c(C)c1Cl,CID1222419,,,,,,,,,,,,,,,0.0,,
Cc1ccccc1OCCCCn1cnc2ccccc21,CID2129703,,,,,,,,,,,0.0,,,,,,
c1ccc(OCCCCn2cnc3ccccc32)cc1,CID2139157,,0.0,,0.0,,,0.0,,,,,,,,,0.0,
CC(=O)OC1COC(n2ccc3ccccc32)C(OC(C)=O)C1OC(C)=O,CID655462,,,,,,,0.0,,,,,,0.0,,,,
CC(=O)OC1COC(n2ccc3cc([N+](=O)[O-])ccc32)C(OC(C)=O)C1OC(C)=O,CID9549160,,,,,,,,,,,,0.0,,,,,
O=C1N=C(N2CCOCC2)N/C1=C/c1ccc2c(c1)OCO2,CID1487727,,,,,,,,,,,,,,,0.0,,
CC1CN(C2=NC(=O)/C(=C\c3ccc4c(c3)OCO4)N2)CC(C)O1,CID16195104,,,,,,,,,,,,,,,0.0,,
COc1ccc(CNn2c(C)nc3ccccc3c2=O)cc1,CID3237873,0.0,,,,0.0,,,,0.0,,,,0.0,,,,
CCCCOc1ccc(CNn2c(C)nc3ccccc3c2=O)cc1,CID3242716,0.0,,0.0,,,,,0.0,,,,0.0,0.0,,,,
CCOC(=O)c1csc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1,CID1185427,,,0.0,0.0,0.0,,0.0,,,,,,,,,0.0,0.0
CCOC(=O)Cc1csc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1,CID2332698,,,0.0,,0.0,,,,,,,,,0.0,,0.0,
Fc1ccccc1N1CC(c2ccccc2)C(c2cccs2)=N1,CID2842535,,,,,,,,,,0.0,0.0,,,,,,
COc1cccc(C2CN(c3ccc(F)cc3F)N=C2c2cccs2)c1OC,CID4097071,,,,,,,,,,,,0.0,,,,,
CN1CCN(CC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)CC1,CID1214066,0.0,0.0,,,,,0.0,,,0.0,,,0.0,,0.0,0.0,
O=C(CN1CCN(CCO)CC1)Nc1ccc(Cl)cc1C(=O)c1ccccc1,CID662976,,,,,,,0.0,,,,,,,,,,0.0
CC(C)C(c1nnnn1Cc1ccco1)N1CCN(c2nc3ccccc3s2)CC1,CID646364,0.0,0.0,,,0.0,,0.0,,,0.0,,,,,,0.0,
CCCCC(c1nnnn1Cc1ccco1)N1CCN(c2nc3ccccc3s2)CC1,CID647751,,0.0,0.0,0.0,0.0,,,,,,,,,,,0.0,
COc1ccc(/C=C2\S/C(=N\N=C\c3ccc(OC)cc3)N(c3ccc(O)cc3)C2=O)cc1,CID5342492,,,,,,0.0,,,,,,,,,,,
O=C1/C(=C/c2ccccc2)S/C(=N\N=C\c2ccccc2)N1c1ccc(O)cc1,CID5342531,,,,,,0.0,,,,,,,,,,,
CCCc1cc(C(=O)NC2CCCCC2)no1,CID5307570,,,0.0,,,,,0.0,,,,,0.0,,,0.0,0.0
CC(C)c1cc(C(=O)NC2CCCCC2)no1,CID3243071,,,,,0.0,,,,,,,,,,,,
Cc1ccccc1-n1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)N1CCCC1,CID5307576,,,0.0,,,,,,,,,,,,,,
O=C(CSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccccc1)N1CCCC1,CID5309332,,,,,,,,,,,,,0.0,,0.0,,
COc1cccc(CSc2nc3ccccc3cc2C=O)c1,CID1481616,,,,,,0.0,,,,,,,,,,,
Cc1ccc(CSc2nc3ccccc3cc2C=O)cc1,CID1481622,,,,,,0.0,,,,,,,,,,,
CC(C)(C)C(=O)N(Cc1nc(=O)c2ccccc2[nH]1)Cc1cccs1,CID1453983,,,,,,,,,,,0.0,0.0,,,,,
COCC(=O)N(Cc1nc(=O)c2ccccc2[nH]1)Cc1cccs1,CID644609,,0.0,,0.0,,,,,0.0,,,,,,,0.0,0.0
COCCNC(=O)C(OC(=O)c1cc2oc(C)cc2n1C)C(C)C,CID3228602,,,,,,,,,,0.0,,,,,,,
COCCNC(=O)C(C)OC(=O)c1cc2occc2n1C,CID652070,,,,,,,,,,,0.0,,,,,0.0,
COc1ccc2[nH]c(=O)c(CN(CCO)C(=O)c3cccs3)cc2c1,CID1459022,,,,,,,,,0.0,,,,,,,,
COc1cc2cc(CN(CCO)C(=O)c3cccs3)c(=O)[nH]c2cc1OC,CID1459260,,,,,,,,,,,,,,0.0,,,
OC(CNCCc1ccccc1)c1ccccc1,CID20118,0.0,,,0.0,,,,,,,,,,,,,
OC(CNCC(O)c1ccccc1)c1ccccc1,CID902475,,,,,,,,,,0.0,,,,,,,
c1ccc(Oc2cccc(CN3CCCCC3)c2)cc1,CID783490,,,,,,0.0,,,,,0.0,0.0,,,,,
OC1CCN(Cc2cccc(Oc3ccccc3)c2)CC1,CID1376867,,,0.0,,,0.0,,,,0.0,,,,,,,
Cc1ccc(S(=O)(=O)C2(C(=O)N3CCCC(C)C3)CC2)cc1,CID3243009,,,0.0,,,,,0.0,,,,,,,,,
Cc1ccc(S(=O)(=O)C2(C(=O)N3CCCCC3C)CC2)cc1,CID3238472,,,,,,,,,0.0,0.0,,,,,,,
CCCS(=O)(=O)N1CCCC(C(=O)NCc2ccco2)C1,CID3243000,,,0.0,,,,,,,,,,,,,0.0,
CS(=O)(=O)N1CCCC(C(=O)NCc2ccco2)C1,CID2990385,,,0.0,,,,,0.0,,,,,,,,0.0,
Cc1ccc(NC(=O)/C(=C/c2ccncc2)NC(=O)c2ccccc2)cc1,CID5761049,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccccc1)/C(=C\c1ccncc1)NC(=O)c1ccccc1,CID5409139,,,,,,0.0,,,,,,,,,,,
O=C(NCCCCc1ccccc1)c1ccccc1Cl,CID2057446,,,,,,,,,,,,,,0.0,,,
O=C(NCCCCc1ccccc1)c1ccccc1,CID309734,,,,,,,,,,,,,,,0.0,,
C=CCn1c(SCCN2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C,CID700047,,,0.0,0.0,,,,0.0,,0.0,,,0.0,,,,
Cn1c(=O)c2c(nc(SCCN3CCCCC3)n2C)n(C)c1=O,CID859791,,,,,,,,,,,0.0,,,,0.0,,
CC1(C)CC(=O)c2cc(OCC(=O)NCCCN3CCN(c4ccccc4F)CC3)ccc2O1,CID3242351,,,,,,,,0.0,,0.0,,,,,,,
CC1(C)CC(=O)c2cc(OCC(=O)NCCCN3CCN(c4ccc(F)cc4)CC3)ccc2O1,CID3241148,,,,,,,,0.0,,,,0.0,,,,,
COCCCNC(=O)Cn1nnc(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)n1,CID656171,,,0.0,,,,,,,,,,,,,,
COCCCNC(=O)Cn1nnc(-c2ccc(NC(=O)c3ccccc3OC)cc2)n1,CID653044,,0.0,,,,,,,,0.0,,,,,,,0.0
COc1ccc(Cl)cc1NC(=O)C1CSC(c2ccncc2)=N1,CID3591778,0.0,0.0,,0.0,0.0,,,,,,,,,,,,
CCOc1ccc(NC(=O)C2CSC(c3ccncc3)=N2)cc1,CID3591780,0.0,0.0,,0.0,0.0,,,,,0.0,0.0,,,,0.0,,
CCCS(=O)(=O)N1CCC(C(=O)NCCCN2CCC(Cc3ccccc3)CC2)CC1,CID9550685,,,,,,,,,0.0,,,,,,,,
CCS(=O)(=O)N1CCC(C(=O)NCCCN2CCC(Cc3ccccc3)CC2)CC1,CID3238349,,,0.0,,0.0,,,,,,,,0.0,,,,0.0
CCOC(=O)c1cc(CC)sc1NC(=O)C(c1ccccc1)c1ccccc1,CID1042283,,,,,,0.0,,,,,,,,0.0,,,
CCc1cc(C(=O)O)c(NC(=O)C(c2ccccc2)c2ccccc2)s1,CID1418739,,,,,,,,,,0.0,,,,,,,
O=C(NCc1ccccc1)c1cc(=O)nc2sc(-c3ccccc3)nn12,CID3236184,,0.0,0.0,,0.0,,0.0,,,,0.0,,,,,0.0,
O=C(NCc1ccc(Cl)cc1)c1cc(=O)nc2sc(-c3ccccc3)nn12,CID4232558,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-c2noc(CCC(=O)NCCN3CCc4ccccc4C3)n2)cc1,CID3244748,0.0,0.0,0.0,,,0.0,,,,,,,,,,,0.0
O=C(CCc1nc(-c2ccccc2F)no1)NCCN1CCc2ccccc2C1,CID3245467,,,,0.0,,,,,,,,,,,,,
COc1ccc(C2C(C#N)=C(SCC(=O)Nc3ccc(C)cc3)NC3=C2C(=O)CC(C)(C)C3)cc1,CID4311432,,,,,,0.0,,,,,,,,0.0,0.0,,
CCc1ccccc1NC(=O)CSC1=C(C#N)C(c2ccc(O)c(OC)c2)C2=C(CCCC2=O)N1,CID661461,,,,,0.0,,,,,,,,,,,,
COc1ccc(C2OC(=O)CC2C(=O)NC(C)C)cc1,CID3244745,,,,,,0.0,,,,,,,,,,,0.0
COC(=O)C1CC(=O)OC1c1ccccc1,CID123302,,,,,,0.0,,,,,,,,,,,
CC(C)Oc1cccc(C(=O)NC(=S)NCc2cccnc2)c1,CID801738,,,,,,,,,,,,,,0.0,,,
CCOc1cccc(C(=O)NC(=S)NCc2cccnc2)c1,CID834990,,,,,,,,,,,,,,0.0,,,
Cc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(Cc3ccccc3)c2)c1,CID2368280,,,,,,,,,,,,,,0.0,,,
Cc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(C(C)c3ccccc3)c2)c1,CID4300326,,,,,,,,,,,,,,0.0,,,
CC1CC(=O)NN=C1c1ccc(N(C)C)c([N+](=O)[O-])c1,CID2874826,,,,,,,,,,,,0.0,,0.0,0.0,,
CCN(CC)c1ccc(C2=NNC(=O)CC2C)cc1[N+](=O)[O-],CID2874250,,,,,,,,,,,,,,0.0,,,
O=C(Nc1ccccc1N1CCCC1)c1cc2ccccc2o1,CID889773,0.0,,,,,,,,,0.0,,0.0,,,,,
O=C(Nc1cccc(Cl)c1N1CCCC1)c1cc2ccccc2o1,CID934925,0.0,,0.0,,,,,,,,,0.0,0.0,,,0.0,0.0
CCC(C)(C)n1nnnc1CN(Cc1ccc(Cl)cc1)Cc1ccco1,CID652481,0.0,,0.0,,,,0.0,,,0.0,,,,,,,
CC(C)(C)n1nnnc1CN(Cc1ccc(F)cc1)Cc1ccco1,CID3193752,,,,,,,,,,,0.0,0.0,,,,,
CCCn1c(=S)[nH]c2cc(C(=O)N3CCc4ccccc43)ccc2c1=O,CID3426137,,,,,,0.0,,,,,,,,,,,
COCCn1c(=S)[nH]c2cc(C(=O)N3CCc4ccccc43)ccc2c1=O,CID3238532,,,,,,,,,0.0,,0.0,,,,,,
c1ccc(-c2cn3c(n2)CCC3)cc1,CID765511,,,,,,,,,,,,0.0,,,,,
Clc1ccc(-c2cn3c(n2)CCC3)cc1,CID657794,,,,,,,,,,,,,,,,,0.0
CCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc4c5c(cccc35)C(=O)N4)cc12,CID6615755,,,,,,,,,,1.0,0.0,,,,,,
CCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc4c5c(cccc35)C(=O)N4)cc12,CID992505,,,0.0,,,,,,,,0.0,,0.0,,,,
CCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)cc1,CID2371101,,,,,,,,,,,,0.0,,,,,
CC(C(=O)OCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1C(=O)c2ccccc2C1=O,CID4250931,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(OCCCC(=O)Nc2nc3ccccc3[nH]2)cc1,CID2082185,,,,,,,,,,,,,,,0.0,,
Cc1ccc(OCCCC(=O)Nc2nc3ccccc3[nH]2)cc1,CID2583500,,,,,,,,,,,,,,,0.0,,
Cc1csc(NC(=O)CSCC(=O)Nc2ccccc2)n1,CID935327,0.0,,,,0.0,,0.0,,0.0,0.0,,,0.0,,,,
O=C(CSCC(=O)Nc1nccs1)Nc1ccccc1,CID651375,0.0,,0.0,0.0,0.0,,,,0.0,0.0,,,0.0,,,,
COc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2)o1,CID1328724,,,,,,,,,,,,,,,0.0,,
O=C(O)c1cccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)c1,CID1325865,,,,,,,,,,,,,,0.0,,,
CCCc1nc2sc3ccccc3c(=O)c2c(=O)n1Cc1ccco1,CID665952,,,,,,0.0,,,,,,,0.0,,,,0.0
CCc1nc2sc3ccccc3c(=O)c2c(=O)n1Cc1ccco1,CID666333,,,,0.0,,,0.0,0.0,,,,,0.0,0.0,,,0.0
COC(=O)CSc1nnc(C2COc3ccccc3O2)n1-c1ccccc1,CID2941336,,,0.0,,0.0,,,,,,,,0.0,0.0,,,0.0
O=C(O)CSc1nnc(C2COc3ccccc3O2)n1-c1ccccc1,CID2891735,,0.0,0.0,0.0,,,0.0,,,,,,,0.0,,,0.0
COC(=O)C(Cc1ccccc1)NC(=O)NCCc1ccc(S(N)(=O)=O)cc1,CID666206,,,0.0,,0.0,,0.0,,,,,,,,,,
CC(Cc1ccccc1)NC(=O)NC(C)Cc1ccccc1,CID2826775,,,,,,,,,,,0.0,,,,,,
COc1ccc(Nc2nc(N)nc(CSc3nnnn3C)n2)cc1,CID666200,,0.0,,,0.0,,,,,,,,,,0.0,,
Cc1ccccc1Nc1nc(N)nc(CSc2nnnn2C)n1,CID2545149,,,,,,,,,,,,,,,0.0,,
O=C1C(Cl)=C(NCC2CCCO2)C(=O)N1c1cccc(Cl)c1Cl,CID2787104,,,,,,,,,,,,0.0,,,,,
O=C1C(Cl)=C(NCC2CCCO2)C(=O)N1c1ccccc1,CID648306,0.0,,0.0,0.0,,,0.0,,,,0.0,,,,0.0,0.0,
Cc1ccc(C(C(=O)NC2CCCCC2)N2CCOCC2)cc1,CID3238618,,0.0,,,,,,0.0,,,,0.0,0.0,,,,
O=C(NC1CCCCC1)C(c1ccccc1)N1CCOCC1,CID3240341,,,,0.0,,0.0,0.0,,,,0.0,,,,,,
CC(=O)NS(=O)(=O)c1ccc(/N=N/N2CCOCC2)cc1,CID800015,,,,,,,,,,,,,,,0.0,,
CC(=O)Nc1ccc(/N=N/N2CCOCC2)cc1,CID799944,,,,,,,,,,,,,,,0.0,,
O=C1CN=C(c2ccccc2)c2ccccc2N1Cc1ccc(C(F)(F)F)cc1,CID3812960,,,,,,,,,,,,0.0,,,,,
CC(C)(C)c1ccc(CN2C(=O)CN=C(c3ccccc3)c3ccccc32)cc1,CID3780845,,,,,,0.0,,,,,,,,,,,
COc1cccc(NC(=O)NCCCSC2CCCCC2)c1,CID3301206,,,,,,,,,,,0.0,0.0,,,,,
CCOc1ccc(NC(=O)NCCCSC2CCCCC2)cc1,CID5122248,,,,,,0.0,,,,,,,,,,,
C(=C/c1ccccc1)\C=N\N1CCN(c2ccccc2)CC1,CID1553289,,,,,,,,,,,,,,,0.0,,
Cc1ccc(N2CCN(/N=C/C=C/c3ccccc3)CC2)cc1,CID1553353,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(C(C)=O)cc1COC(=O)C1=COCCO1,CID2103114,,,,,,0.0,,,0.0,,,,0.0,,,,
CN(C)S(=O)(=O)c1cccc(COC(=O)C2=COCCO2)c1,CID2092926,,,0.0,0.0,,,,,0.0,,,,,,,0.0,
Cn1cc(SCC(=O)N2CCN(c3ccccc3)CC2)c2ccccc21,CID5128077,,,,,,,,,,,,,,,,0.0,
Cc1[nH]c2ccccc2c1SCC(=O)N1CCN(c2ccccc2)CC1,CID2153514,,,,,,,,,,,0.0,,,,,,
COc1ccc(Oc2cc(C)c3ccccc3n2)cc1,CID1477225,,,,,,0.0,,,0.0,,,,,,0.0,,
Cc1cc(Oc2ccccc2)nc2ccc(O)cc12,CID762456,,,0.0,,,,0.0,,,,,,,,,,
CCC1(C)CC(CCNS(=O)(=O)c2ccc(C)cc2)(c2ccc(C)cc2)CCO1,CID2951140,,,,,,0.0,,,,,,,,,,,
CC1(C)CC(CCNS(=O)(=O)c2ccccc2)(c2ccccc2)CCO1,CID2930343,,,,,,,,,,,,,,0.0,,,
CC1CCCC(NC(=O)COC(=O)c2ccccc2NC(=O)c2ccco2)C1C,CID3533855,,,,,,0.0,,,,,,,,,0.0,,
O=C(COC(=O)c1ccccc1NC(=O)c1ccco1)NC1CCCCC1,CID2358535,,,,,,,,,,0.0,,,,,,,
O=C(Oc1cccc(NC2=C(n3nnc4ccccc43)C(=O)c3ccccc3C2=O)c1)c1cccc([N+](=O)[O-])c1,CID1951182,,,,,,,,,,,0.0,,,,,,
O=C1C(Nc2cccc(OC(=O)c3ccccc3[N+](=O)[O-])c2)=C(n2nnc3ccccc32)C(=O)c2ccccc21,CID1423853,,,,,,,,,,,,0.0,,,,,
CC(=O)Nc1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccccc2)cc1,CID2263803,,,,,,0.0,,,,,,,,,,,
O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)C=C(c2ccccc2)N1c1ccc(O)cc1,CID5346268,,,,,,0.0,,,,,,,,,,,
Oc1ccc(CN2CCCCC2)c2cccnc12,CID279619,,,,,,,,,0.0,0.0,,0.0,,,,,
CCOC(=O)C1CCN(Cc2ccc(O)c3ncccc23)CC1,CID652581,,,,,,,0.0,,0.0,,,0.0,0.0,,,,
Cc1oc(-c2cccc(Cl)c2)nc1CN1CCCC(C(=O)NCc2ccco2)C1,CID3242622,0.0,0.0,,,,0.0,,,,,,,,,,0.0,0.0
Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCCC(C(=O)NCc2ccco2)C1,CID3236474,0.0,,,,,0.0,,,,,,,0.0,,,0.0,0.0
CCn1ncc(Br)c1C(=O)N(C)C12CC3CC(CC(C3)C1)C2,CID3239134,0.0,,,,,,,,0.0,,0.0,0.0,,,,0.0,
CN(C(=O)c1c(Cl)cnn1C)C12CC3CC(CC(C3)C1)C2,CID7824863,,,,,,,,,,,,,,0.0,0.0,,
CCC1Oc2ccc(C)cc2N(CC(=O)NCCN2CCN(Cc3ccccc3)CC2)C1=O,CID3240827,,,,0.0,,,,,,,,,,,,,0.0
O=C(CN1C(=O)COc2ccccc21)NCCN1CCN(Cc2ccccc2)CC1,CID3236763,,0.0,0.0,,,,,,,,,,,,,,
O=C(NCc1ccco1)c1ccccc1-c1ccccc1,CID976298,,,,,,,,,,,0.0,0.0,,,0.0,,
O=C(O)c1ccccc1-c1ccccc1C(=O)NCc1ccco1,CID977937,,,,,,,,,,,0.0,0.0,,,,,
Cc1sc(-n2c(C)cc(C=O)c2C)c(C(=O)O)c1C,CID1265683,,,,,,,,,0.0,0.0,,0.0,,,,,
Cc1sc(-n2c(C)ccc2C)c(C#N)c1C,CID663040,,,,0.0,,,,,,,,0.0,,,0.0,,
COC(=O)C1(S(=O)(=O)c2cc(Br)cc3c2N(C(C)=O)CC3)CC1,CID3240521,,,,,,,,,0.0,,,,,,,,
CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)C3(C(=O)OC)CC3)c21,CID3239270,,,,,,,,,0.0,,,,,,,,
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccn1,CID2864747,,0.0,,,,,,,0.0,,,,0.0,0.0,,,
Cc1cc2c(cc1C)NC(c1ccccn1)C1=C(CC(C)(C)CC1=O)N2,CID2977388,,0.0,,0.0,,,,0.0,,,,,0.0,,,,
COc1cccc(C(=O)NC2CC3CCCC(C2)N3CC(=O)Nc2ccc(N(C)C)cc2)c1,CID645059,,,,,,,,,,,0.0,,,,,,
COc1cc(C(=O)NC2CC3CCCC(C2)N3CC(=O)Nc2ccccc2)cc(OC)c1OC,CID653186,0.0,,,,,,,,,,,,,,,,
O=c1c2c3c(sc2n2cnnc2n1C1CCCCC1)CCC3,CID658261,0.0,0.0,,0.0,,,0.0,0.0,,,,,,,,,
Cc1nnc2n(C3CCCCC3)c(=O)c3c4c(sc3n12)CCC4,CID3240996,0.0,,,0.0,,0.0,,0.0,,,,,,,,0.0,0.0
Cc1cc(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)c(C)n1CC1CCCO1,CID3941867,,,,,,0.0,,,,,,,,,,,
C=CCn1c(SCC(=O)c2cc(C)n(CC3CCCO3)c2C)nnc1-c1ccccc1,CID2998414,0.0,,,,,,,,,,,,,,,0.0,
CC1C(=O)CCC1(C(=O)O)c1ccccc1,CID2842472,,,,,,,0.0,0.0,0.0,,,,,,,,
O=C1CCC(C(=O)O)(c2ccccc2)C1,CID655176,,,,,,,,0.0,0.0,,,,,0.0,,,
CCn1c(/C=C2\C(=O)N(C)c3ccccc32)nc2ccccc2c1=O,CID5761677,,,,,,0.0,,,,,,,,,0.0,,
CCn1c(/C=C2/C(=O)N(C)c3ccccc32)nc2ccccc2c1=O,CID5861253,,,,,,0.0,,,,,,,,,,,
Cc1noc(C)c1S(=O)(=O)N(CC(=O)N1CCCC1)c1ccc(C(C)C)cc1,CID5309094,,,,,,,,,,,,,,,,0.0,
CCOc1ccc(N(CC(=O)N2CCCC2)S(=O)(=O)c2c(C)noc2C)cc1,CID5309496,,,0.0,,,,0.0,,,,,,,,,,
Cc1ccc(-n2c(CSc3nc(C)cc(C)n3)nnc2SCC(=O)Nc2nccs2)cc1,CID645190,,,,,0.0,,,,,,,,,,,,
COc1ccc(-n2c(CSc3nc(C)cc(C)n3)nnc2SCC(=O)Nc2nccs2)cc1,CID653678,,,,,0.0,,,,,,,0.0,,,,0.0,0.0
CCCN1CCN(C(=O)Cn2c(=O)oc3cc(S(=O)(=O)NCc4ccccc4)ccc32)CC1,CID5307311,,,0.0,,,,,,,,,,,,,,
CN1CCN(C(=O)Cn2c(=O)oc3cc(S(=O)(=O)NCc4ccccc4)ccc32)CC1,CID5308253,,,0.0,,,0.0,,0.0,,,,,,,,,
CC(=O)NC12CC3CC(C1)CC(C(=O)OCC(=O)Nc1ncc(Cl)cc1Cl)(C3)C2,CID3000057,,0.0,,,,,,,,,,,,,,,
CC(=O)NC12CC3CC(C1)CC(C(=O)OCC(=O)Nc1ncc(Cl)c(C)c1Cl)(C3)C2,CID2998264,,,,,,,0.0,,,,,,,,0.0,,
COc1ccccc1-n1cc(C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)c2ccccc2c1=O,CID3245992,0.0,,,,,,,,,0.0,,,,,,,
COc1ccc(N2CCN(C(=O)CNC(=O)c3cn(-c4ccccc4OC)c(=O)c4ccccc34)CC2)cc1,CID16187670,,,,,,,,,,,,,,0.0,,,
CC(=O)Nc1ccc(S(=O)(=O)NC(CC(=O)N2CCC3(CC2)OCCO3)C(C)C)cc1,CID3236691,,0.0,,,0.0,,,,0.0,,,,,,,,
COc1ccc(S(=O)(=O)NC(CC(=O)N2CCC3(CC2)OCCO3)C(C)C)cc1,CID3300777,,,,,,,,,,,0.0,,,,0.0,,
COc1ccc(S(=O)(=O)NCC2CCC(C(=O)NCc3ccco3)CC2)cc1,CID3236693,,,0.0,,0.0,0.0,,0.0,,,,,,,,,
Cc1ccc(S(=O)(=O)NCC2CCC(C(=O)NCc3ccco3)CC2)cc1,CID3239602,0.0,,,0.0,0.0,,,,,,,,,,,,
CCOC(=O)c1c(NC(=O)c2noc3c2CCCC3)sc(C)c1C,CID3236694,0.0,,0.0,,,,0.0,,0.0,,0.0,,,,,,
CCOC(=O)c1sc(NC(=O)c2noc3c2CCCC3)c(C(=O)OCC)c1C,CID5307566,,,0.0,,,,,,,,,,0.0,,,0.0,
O=C(NCCN1CCN(c2ccccc2)CC1)C1CCN(S(=O)(=O)c2cccs2)CC1,CID3236695,,,,0.0,,0.0,,,0.0,,,,0.0,,,0.0,
COc1ccc(N2CCN(CCNC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)CC2)cc1,CID3240339,,,0.0,,,,,,,,,,,,,,
Cc1nnc(SCC(=O)NC(=O)NC2CCCC2)n1N,CID2603835,,,,,,,,,,,0.0,,,,,,
Cn1cnnc1SCC(=O)NC(=O)NC1CCCC1,CID2515057,,,,0.0,,,,0.0,,0.0,,,0.0,,,,
COc1ccccc1-n1c(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n[nH]c1=S,CID3245371,,0.0,,,,0.0,,,,,,,,,,,
O=C(NCc1n[nH]c(=S)n1-c1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1,CID3237711,,,,0.0,,0.0,0.0,,,,,,0.0,,,,
O=C1C(c2ccc(F)cc2)N(C2CCCCC2)C(=O)CN1C1CCCC1,CID3245375,,,0.0,,,,0.0,,,,,,,,,,
Cc1ccc(C2C(=O)N(C3CCCC3)CC(=O)N2C2CCCCC2)cc1,CID5195087,,,,,,0.0,,,,,,,,0.0,,,
Cc1cc2c(=O)n(CC(=O)N3CCN(c4ccc(F)cc4)CC3)cnc2s1,CID3245379,0.0,,0.0,,0.0,,,0.0,,,0.0,,,,,,
Cc1cc2c(=O)n(CC(=O)N3CCN(c4ccccc4)CC3)cnc2s1,CID3236799,,,,,,,,0.0,,,,,,,,0.0,
CC1=C(C(N)=O)C(c2cccnc2)N2NC(c3cccc(C)c3)=NC2=N1,CID5771368,,,,,,,,,,0.0,0.0,,,,,,
COc1ccc(C2=NC3=NC(C)=C(C(N)=O)C(c4cccnc4)N3N2)cc1,CID5771460,,,,,,,,,0.0,,,,,,,,
Cc1ccc(S(=O)(=O)C(C)C(=O)c2ccc3c(c2)OCCO3)cc1,CID2963042,,,,,,0.0,,,,,,,,,0.0,,
O=C(CS(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2,CID975410,,,0.0,,,,,0.0,,0.0,0.0,,,0.0,,0.0,
O=C1NC2(CCCC2)N=C1c1ccc(F)cc1,CID9550199,,,,,,0.0,,,,,,,,,,,
O=C1NC2(CCCC2)N=C1c1ccc(Cl)cc1,CID3241514,0.0,0.0,,0.0,,,,,,0.0,,,,,,0.0,0.0
COc1ccc(N2CCN(C(=O)CCCn3c(=O)[nH]c4ccsc4c3=O)CC2)cc1,CID9550190,,,,,,,,,0.0,,,,,,,,
COc1ccccc1N1CCN(C(=O)CCCn2c(=O)[nH]c3ccsc3c2=O)CC1,CID5308252,,0.0,,0.0,,,,0.0,,,,,,,,,
COc1ccc(OC)c(/C(O)=C/C(=O)C(=O)Nc2cc(C)ccc2OC)c1,CID9550195,,,,,,,,,,,0.0,,,,,,
CCOc1ccccc1NC(=O)C(=O)/C=C(\O)c1cc(OC)ccc1OC,CID9550193,,,,,,0.0,,,,,,,,,,,
CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3cccs3)cc2)CC1,CID1094288,,,0.0,,0.0,,,,0.0,0.0,,,0.0,0.0,,,
CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(Br)s3)cc2)CC1,CID1247700,,,,,,,,,0.0,,0.0,,,,,,
c1ccc(-c2oc3ncnc(NCCCN4CCOCC4)c3c2-c2ccccc2)cc1,CID667028,0.0,,,,,0.0,,0.0,,0.0,0.0,,,,,,0.0
COc1ccc(-c2oc3ncnc(NCCCN4CCOCC4)c3c2-c2ccc(OC)cc2)cc1,CID667108,0.0,,0.0,,,,0.0,,,,,,0.0,,,,
CC(C)Cc1nc2oc3c(NCc4cccnc4)ncnc3c2c2c1CCC2,CID667020,,0.0,,,,0.0,0.0,,,,,0.0,0.0,,0.0,,
CC(C)c1nc2oc3c(NCc4cccnc4)ncnc3c2c2c1CCC2,CID666171,,0.0,,,,,,,,,,,0.0,,,,
CCOC(=O)c1sc2nccc(N(C)C)c2c1/N=C/NOCc1ccccc1,CID2765717,,,,,,,,,,,0.0,,,,,,
CCOC(=O)c1sc2nccc(N(C)C)c2c1/N=C/NOCc1c(F)cccc1Cl,CID2765719,,,,,,,,,,0.0,,,,,,,
CCOc1ccc2[nH]c(=O)c(CN(CCO)Cc3nnnn3CCc3ccccc3)cc2c1,CID3200458,,,,,,,,,,,,0.0,,,,,
Cc1ccc2[nH]c(=O)c(CN(CCO)Cc3nnnn3CCc3ccccc3)cc2c1,CID650048,,0.0,,,,,,,,,,,0.0,,,,0.0
O=[N+]([O-])c1ccc(-n2cccn2)c(-c2nn[nH]n2)c1,CID593441,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)n(-c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)n1,CID695270,,,,,,,,,,,,,,0.0,,,
CCOC(=O)CC1C(=O)NCCN1C(=O)c1cc2c(=O)n3cccc(C)c3nc2s1,CID4454085,,,,0.0,,,,0.0,,,,,,,,,
CCOC(=O)CC1C(=O)NCCN1C(=O)c1cc2c(=O)n3ccccc3nc2s1,CID4047539,,0.0,,,,,0.0,,,,,,,,,0.0,
COc1cccc(C2CC(=O)Nc3c2c(=O)n(C)c(=O)n3C)c1OC,CID3162458,,,,,,,,,,,,,0.0,,,,
COc1ccccc1C1CC(=O)Nc2c1c(=O)n(C)c(=O)n2C,CID3162456,,,,,,,,,0.0,0.0,,0.0,,,,,
CCN(CCCNC(=O)c1cn(CC)c2ccc(S(=O)(=O)N(C)C)cc2c1=O)c1cccc(C)c1,CID3240253,,,,,,,0.0,,,,,,,,,,
CCn1cc(C(=O)NCCCN(C)c2ccccc2)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21,CID5308910,,,,,,,,0.0,,,,,0.0,,,,
CC(C)C(OC(=O)C1CCCO1)C(=O)NC1CCCC1,CID649744,,,,,,,,,,0.0,,,0.0,,,,0.0
CC(OC(=O)C1CCCO1)C(=O)NC1CCCC1,CID654797,,,,,,,,,,,,,,,0.0,0.0,
CCCc1ccc(OCc2ccc(C(=O)N3CCN(c4ccccn4)CC3)o2)c(OC)c1,CID2941270,0.0,,,,0.0,,,,,,,,,,,,
O=C(c1ccc(COc2ccccc2Br)o1)N1CCN(c2ccccn2)CC1,CID1269684,,,,,,,,,0.0,,,,,,,,
COc1cccc(C(=O)CSc2nnnn2C2CCCCC2)c1,CID1440817,,,,,,,,,,,,,,0.0,,,
COc1ccc(Cl)cc1C(=O)CSc1nnnn1C1CCCCC1,CID1452205,,,,,,,,,,,0.0,,,,,,
COC(=O)c1cc(=O)nc2sc(-c3ccccc3)nn12,CID3245952,,,,,,0.0,,,,,,,,,,0.0,
COC(=O)c1cc(=O)nc2sc(-c3ccc(F)cc3)nn12,CID3238393,,,0.0,,,,,0.0,,0.0,,,,,,,
CCCCn1c(-c2csc3c2CCC(C)C3)n[nH]c1=S,CID3430262,,,,,,0.0,,,,,,,,,,,
CC(C)Cn1c(-c2csc3c2CCCC3)n[nH]c1=S,CID843739,,,,,,0.0,,,,,,,,,,,
Cn1c(/C=N/n2cnnc2)nc2ccccc21,CID872528,,0.0,,,,,,,,,,0.0,,,,,
CCn1c(/C=N/n2cnnc2)nc2ccccc21,CID798850,,0.0,,0.0,,0.0,,,,0.0,,0.0,,,,,
CCCC(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1,CID4245044,0.0,,0.0,,0.0,,,0.0,,,,,,,,,
CSCC(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1,CID2444242,,,,,,,,,,,,,,0.0,,,
N#CC1=C(N)N(c2ccccc2)C(c2ccccc2)C1(C#N)C#N,CID387726,,0.0,,,,,0.0,,,,,0.0,,,,0.0,
Cc1cccc(N2C(N)=C(C#N)C(C#N)(C#N)C2c2ccccc2)c1,CID660907,,0.0,,,,,,,,,,0.0,0.0,,,0.0,
Cc1ccc(-c2nc(CS(=O)(=O)CC(=O)N3CCCCCC3)c(C)o2)cc1,CID5309330,,0.0,,,,,,,,,,,,,,,
Cc1oc(-c2ccccc2F)nc1CS(=O)(=O)CC(=O)N1CCCCCC1,CID5308900,,0.0,,0.0,,,0.0,,,,,,,,0.0,,
CCC(=O)Nc1ccccc1Sc1ncnc2scc(-c3ccccc3)c12,CID1050686,,,,,,,,,,,,,,,0.0,,
CC(=O)Nc1ccc(Sc2ncnc3scc(-c4ccccc4)c23)cc1,CID2112059,,,,,,,,,,,,,,0.0,,,
N=c1c(S(=O)(=O)c2ccc(Cl)cc2)cc2c(=O)n3ccccc3nc2n1CCN1CCOCC1,CID1034422,,,,,0.0,,,,,,,,0.0,,,0.0,
N=c1c(S(=O)(=O)c2ccccc2)cc2c(=O)n3ccccc3nc2n1CCN1CCOCC1,CID1303232,,,0.0,,,,0.0,0.0,,,,,,,,0.0,0.0
COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1=O,CID2235838,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)c(S(=O)(=O)N2CCCC2=O)c(C)c1,CID766932,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccc(NC(=S)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1,CID1448207,,,,,,,,,,,,0.0,,,,,
COC(=O)c1ccc(NC(=S)N2CCN(Cc3cccc(C)c3)CC2)cc1,CID1448196,,,,,,0.0,,,,,,,,,,,
Nn1cc(-c2ccccc2)nc1SCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1,CID2999966,,,,,0.0,,,,,,,,,,0.0,,
Nn1cc(-c2ccccc2)nc1SCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1,CID2997557,,,,,,,,,0.0,0.0,,0.0,0.0,,,0.0,
COc1cc2c(O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3,CID100492,,,,,,0.0,,,,,0.0,,,,,,
COc1cc2c(OC(C)=O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3,CID1760987,,,,,,,,,,,,,,0.0,,,
COc1ccc2cc(CCNC(=O)c3ccc4c(c3)OCO4)c(=O)[nH]c2c1,CID4415120,,,,,,,,0.0,,,,,,,,,
Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)c3ccc4c(c3)OCO4)cc12,CID3245145,0.0,,,0.0,,,,,,,,,,,,,
O=C(NCc1ccccc1)C1CC(=O)N(c2ccc(OCC(=O)N3CCCC3)cc2)C1,CID3154403,,,,,,,,,0.0,0.0,,0.0,,,0.0,,
Cc1ccc(CNC(=O)C2CC(=O)N(c3ccc(OCC(=O)N4CCCC4)cc3)C2)cc1,CID3154429,,,,,,,,,0.0,,0.0,,,,,,
COc1ccc(S(=O)(=O)NC(Cc2ccc(Cl)cc2)C(=O)N2CCC3(O)CCCCC3C2)cc1,CID9551779,,,,,,,,,,,0.0,,,,,,
COc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)N2CCC3(O)CCCCC3C2)cc1,CID665407,,,,,0.0,,,,,,,0.0,0.0,,,,
CCCCn1c(CNC(=O)C23CC4CC(CC(C4)C2)C3)nnc1SCC(=O)Nc1nnc(C)s1,CID4124345,,,,,,,,,,,,0.0,,,,,
CCn1c(CNC(=O)C23CC4CC(CC(C4)C2)C3)nnc1SCC(=O)Nc1nnc(C)s1,CID3583939,,0.0,,0.0,,0.0,,,,,,,,,,0.0,
CCOC(=O)N1CCN(C(=O)COc2ccc3c(c2)C(=O)CC2(CCN(C(C)=O)CC2)O3)CC1,CID3238189,,,,,,,,,,,,,0.0,,,,
CC(=O)N1CCC2(CC1)CC(=O)c1cc(OCC(=O)N3CCN(C)CC3)ccc1O2,CID3245072,,,,,,,,,,,,,0.0,,,,
COc1cc(C(Nc2ccccn2)c2ccc3ccc(C)nc3c2O)cc(OC)c1O,CID3236321,0.0,,0.0,0.0,,,0.0,,,,,0.0,0.0,,,0.0,0.0
Cc1cccc(NC(c2ccc(O)cc2)c2ccc3ccc(C)nc3c2O)n1,CID2895747,,,,,,,,,0.0,,,0.0,,,,,
CCN(CCCNC(=O)CC(C(=O)N1CCc2ccccc21)n1ccnc1)c1ccccc1,CID3237635,,0.0,0.0,,,0.0,,,,,,,,,,,
CCN(CCCNC(=O)CC(C(=O)N1CCc2ccccc21)n1ccnc1)c1cccc(C)c1,CID3238442,0.0,0.0,,,,0.0,,,,,,,,,,,0.0
CCOC(=O)N1CCC(NC(=O)CCS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)CC1,CID3237631,,,,,,,,,0.0,,,,,,,,0.0
CCOC(=O)N1CCC(NC(=O)CCS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CC)CC1,CID3238053,0.0,0.0,,,,,,0.0,0.0,,,,,,,,
CC(C)Cc1nc(C#N)c(N2CCC(C(N)=O)CC2)o1,CID725587,,,,,,,,,,,,,,0.0,0.0,,
CCc1nc(C#N)c(N2CCCCC2)o1,CID2304936,,,,,,,,,,,,,,,0.0,,
CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)NC1CCCCC1C,CID2937974,,,,,,0.0,,,,,,,,,,,
CCn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)NC1CCCCC1,CID1092860,,,,,,,,,,,,,,0.0,,,
O=C(O)c1ccc(NC(CSCc2cccc(F)c2)C(=O)O)c([N+](=O)[O-])c1,CID9550421,,,,,,,,,,,,0.0,,,0.0,,
Cc1ccc(CSCC(Nc2ccc(C(=O)O)cc2[N+](=O)[O-])C(=O)O)cc1,CID9550795,,,,,,,,,,0.0,,,,,,,
CCN(CC)CCN1NC(C)=N/C1=C1/C=CC=CC1=O,CID5497568,,,,0.0,,,,,,,0.0,,0.0,0.0,,,
CC1=N/C(=C2/C=CC=CC2=O)N(S(=O)(=O)N(C)C)N1,CID5423449,,,,0.0,,,,0.0,,,,,,,,,
Cc1ccc(CNC(=O)c2oc3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3c2C)cc1,CID3237095,,,,,,,,,,0.0,0.0,,,,,,
Cc1c(C(=O)NCc2ccccc2)oc2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc12,CID3243708,,,,,,,,,,,0.0,,,,,,
CCOc1cc(/C=N/NC(=O)Cc2ccccc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1,CID1231176,,,,,,,,,,,,0.0,,,0.0,,
O=C(Cc1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1,CID1105529,,,,,,,,,,,,0.0,,,,,
COCCn1c(=S)[nH]c2cc(C(=O)NCC3CCCO3)ccc2c1=O,CID3244336,,,,,,,,0.0,,,,,,,,0.0,
CCCn1c(=S)[nH]c2cc(C(=O)NCC3CCCO3)ccc2c1=O,CID3501000,,,,,,,0.0,,,0.0,,,,,,,
COC(=O)C1=NNC2C(=O)N(C3CCCCC3)C(=O)C12,CID2958373,,,,,,,,,,,,,,,0.0,,
CCOC(=O)C1=NNC2C(=O)N(C3CCCCC3)C(=O)C12,CID3549553,,,,,,,,,0.0,,,0.0,,,,,
O=C(c1cc2ccccc2oc1=O)N(Cc1ccccc1)CC1CCCO1,CID3170090,,,,,,,,,0.0,,,,,,,,
COc1cccc2cc(C(=O)N(Cc3ccccc3)CC3CCCO3)c(=O)oc12,CID3221446,,,,,,,,,,0.0,,,,,,,
Cc1ccc(C(=O)NCCCN2CCOCC2)o1,CID2932801,,,,,,,,,,,,0.0,,,,,
O=C(NCCCN1CCOCC1)c1ccco1,CID2168338,,,0.0,,0.0,0.0,,0.0,,,,,,,,,
CCN(CC)c1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)o1,CID929467,,,,,,,,,,,,,,,0.0,,
CN(C)c1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)o1,CID921800,,,,,,,,,,,,,,0.0,0.0,,
O=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1ccco1,CID696881,,,,,,0.0,,,0.0,,,0.0,,,,,
Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccco1,CID742302,0.0,0.0,0.0,,,,,0.0,0.0,,0.0,0.0,0.0,,,0.0,
Cc1ccc(Sc2ccc(NC(=O)c3ccc(S(C)(=O)=O)cc3Cl)cc2)cc1,CID1486264,,,,,,0.0,,,,,,,,0.0,,,
COc1ccc(Sc2ccc(NC(=O)c3ccccc3Cl)cc2C#N)cc1,CID2769229,,,,,,0.0,,,,,,0.0,,,,,
COc1ccc(-c2nnc3ccc(SCC(=O)N4CCOCC4)nn23)cc1,CID5310107,,,0.0,,,,,0.0,,,,,,,,,
O=C(CSc1ccc2nnc(-c3ccc(F)cc3)n2n1)N1CCOCC1,CID5310592,,0.0,,,,,0.0,0.0,,,,,0.0,,,,
CCOC(=O)c1ccc(N2C(=O)CC(NC3CCN(C(=O)c4ccc(F)cc4)CC3)C2=O)cc1,CID2978674,,,0.0,,,,,0.0,,,,,,,,,
CCOC(=O)c1ccc(N2C(=O)CC(NC3CCN(C(=O)c4cccc(Cl)c4)CC3)C2=O)cc1,CID2984703,0.0,,,,,,,,,,,,0.0,,,,0.0
CCOC(=O)C(C)Oc1cccc2c(=O)n(CC(=O)N3CCc4ccccc43)ccc12,CID4600623,,,,,0.0,,,0.0,0.0,,,,,,,,
CCOC(=O)COc1cccc2c(=O)n(CC(=O)N3CCc4ccccc43)ccc12,CID2149377,,,,,,,,0.0,,,,,,,0.0,,
Cc1cc(=O)oc2cc(Oc3ncccn3)ccc12,CID2099430,,,,,,,,,,,,,0.0,,0.0,,
CCCc1cc(=O)oc2cc(Oc3ncccn3)ccc12,CID2099264,0.0,0.0,0.0,,,,,,,0.0,,,,0.0,,,
Cc1nc(SCC(=O)NCc2ccc(F)cc2)c2c(=O)n(C)c(=O)n(C)c2n1,CID4163484,,,,,,,,,,,0.0,,,,,,
Cc1nc(SCC(=O)NCc2ccccc2)c2c(=O)n(C)c(=O)n(C)c2n1,CID4372899,,0.0,,,,,,,0.0,,,,,,,,
O=C(CSc1ncnc2c1cnn2-c1ccccc1)Nc1ccccc1,CID650239,,,0.0,,0.0,,0.0,,,,0.0,,,,,0.0,
COc1ccc(OC)c(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2Cl)c1,CID1445420,,,,,,,,,0.0,,,0.0,,,,,
O=C(Cn1cc(C(=O)c2ccccc2)c2ccccc21)NCc1ccco1,CID1089001,0.0,,,,,,0.0,0.0,,,,,,0.0,,,0.0
O=C(Cn1cc(C(=O)c2ccccc2F)c2ccccc21)NCc1ccco1,CID2217886,,,,,,,,,,,,0.0,0.0,,,,
O=C(COC(=O)/C=C/c1ccco1)NCc1ccccc1Cl,CID2348187,,,,,,,,,,,,,,0.0,,,
CN(Cc1ccccc1)C(=O)COC(=O)/C=C/c1ccco1,CID2370673,,,,,,,,,,,,,,0.0,,,
Cc1ccc(OCC(=O)N/N=C/c2c(C)n(C)c3ccccc23)c([N+](=O)[O-])c1,CID1377645,,,,,,,,,,,,0.0,,,,,
Cc1ccc(OCC(=O)N/N=C/c2cn(C)c3ccccc23)c([N+](=O)[O-])c1,CID1377647,,,,,,0.0,,,,,,0.0,,,,,
Cc1ccccc1CSc1nccn1-c1ccccc1,CID1477494,,,,,,0.0,,,,,,,,,,,
Clc1cccc(CSc2nccn2-c2ccccc2)c1,CID1477503,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C(=O)Oc2cc(C)nn3cnnc23)cc1,CID1477498,,,,,,,,,,,,0.0,,0.0,,,
Cc1cc(OC(=O)c2ccc(F)cc2)c2nncn2n1,CID1477495,,,,,,,,,,,,0.0,,,,,
CCN(CC(=O)Nc1ccc2c(c1)OCO2)Cc1nc(=O)c2ccccc2[nH]1,CID2127929,,0.0,,,,,,,0.0,,,,,,,0.0,
CCN(CC(=O)Nc1ccc2c(c1)OC(F)(F)O2)Cc1nc(=O)c2ccccc2[nH]1,CID2547401,,,,,,,,,0.0,0.0,,,,,,,
COc1ccccc1Cc1nc(-c2ccc(Br)o2)no1,CID718822,0.0,,,,,,0.0,,0.0,,,0.0,,,0.0,,0.0
COc1ccc(Cc2nc(-c3ccc(Br)o3)no2)cc1OC,CID1520524,,,,,,,0.0,,0.0,,,,,,,,0.0
N#Cc1cc2c(nc1SCc1nc3ccccc3[nH]1)CCC2,CID667183,,,,0.0,,,0.0,,,0.0,,,0.0,,,0.0,
N#Cc1c(SCc2nc3ccccc3[nH]2)nc2c(c1C(F)(F)F)CCC2,CID1006273,,,,,,,,,,0.0,,,,,,,
O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1ccc(Br)o1,CID1363889,,,,,,,,,,,,0.0,,,,,
O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1ccco1,CID1072989,,,,,,,,,0.0,,0.0,,,,0.0,,
Cc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)c1,CID1363886,,,,,,,,,,,0.0,,,,,,
O=C(Nc1cccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)c1)c1ccccc1,CID1007337,,,,,,,,,0.0,,,,,,0.0,,
CCOC(=O)Cc1csc(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)n1,CID1556129,,,,,,,,,0.0,0.0,,,,,,,
O=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1nccs1,CID655385,0.0,0.0,0.0,,,0.0,0.0,0.0,0.0,,0.0,,,,0.0,0.0,
O=C(NNS(=O)(=O)c1ccccc1)c1cnn(-c2ccccc2)c1-n1cccc1,CID3849358,,,,,,0.0,,,,,,,,,,,
Cc1ccc(S(=O)(=O)NNC(=O)c2cnn(-c3ccccc3)c2-n2cccc2)cc1,CID4653181,,,,,,0.0,,,,,,,,,,,
CSc1nnc2c(n1)OC(c1ccccn1)N(C(C)=O)c1ccccc1-2,CID5730137,,,,,,,,,,,,,,,0.0,,
CCSc1nnc2c(n1)OC(c1ccccn1)N(C(C)=O)c1ccccc1-2,CID5735640,,,,,,0.0,,,,,,,,,,,
Cc1csc(SCc2ccccc2C(=O)O)n1,CID2999036,,0.0,,,0.0,0.0,0.0,,,0.0,,,,,,,
Cc1csc(SCc2ccc(C(=O)O)cc2)n1,CID3683918,,,,,,0.0,,,,,,,,,,,
Cn1cccc1Cc1nnc(SCC(=O)NC2CCCC2)n1-c1ccc(F)cc1,CID5309865,,,0.0,,,,0.0,,,,,0.0,,,,,0.0
COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)NC2CCCC2)cc1,CID5307445,0.0,,,,,,,,,,,,,,,0.0,
CCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])s2)C(=O)NC1=S,CID1908267,,,,,,,,,,,,,,0.0,,,
C=CCN1C(=O)/C(=C/c2cccs2)C(=O)NC1=S,CID1901377,,,,,,,,,,,,,,0.0,0.0,,
CCc1nnc(NC(=O)CCC(=O)N2CCCC2)s1,CID663753,,,,,,,,0.0,0.0,0.0,,,0.0,,,,0.0
O=C(CCC(=O)N1CCCC1)Nc1nnc(C(F)(F)F)s1,CID663967,0.0,0.0,,,0.0,,,0.0,0.0,0.0,,,,,,,0.0
CCOc1ccc2[nH]c3c(N4CCN(c5ccccn5)CC4)ncnc3c2c1,CID663751,,,0.0,,,,,,,,,,,,,,0.0
COc1cc2[nH]c3c(N4CCN(c5ccccn5)CC4)ncnc3c2cc1OC,CID664149,0.0,,0.0,,,,,0.0,,0.0,,,,,,,
Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2c1nc1n2CCCN1C1CCCCC1,CID665753,,,,,,,,,,,,0.0,,,,,0.0
Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc1n2CCCN1C1CCCCC1,CID665476,0.0,,,,,,,0.0,,,0.0,,,,,,
CC1(C)SC2c3ccccc3C(=O)N2C1C(=O)NCCCN1CCOCC1,CID665757,,,,0.0,,,,0.0,,,,,,,0.0,,
O=C(NCCCN1CCOCC1)C1CSC2c3ccccc3C(=O)N12,CID665440,,0.0,,,,,,,,,,,,0.0,,,
CCO/C=C1/C(=O)N(Cc2ccccc2)C(=O)c2ccccc21,CID2339359,,,,,,,,,,,,,,0.0,,,
CC(C)CCC(C)N/C=C1/C(=O)N(Cc2ccccc2)C(=O)c2ccccc21,CID6216218,,,,,,,,,,,0.0,,,,,,
CC(C)c1nc2ccccn2c1NC1CCCCC1,CID808870,,,,,,0.0,,,0.0,,,,,,,,
Cc1ccn2c(NC3CCCCC3)c(C)nc2c1,CID644816,,,,0.0,,0.0,0.0,0.0,,,,,,,,0.0,
O=C(Cn1nnc(-c2ccccc2NC(=O)c2ccccc2F)n1)NCc1ccco1,CID648374,,,,,,,,,,,0.0,,,,,,
COc1ccc(C(=O)Nc2ccccc2-c2nnn(CC(=O)NCc3ccco3)n2)cc1,CID644789,,,,,,,,,,0.0,,,,,,,
CC(NC(=O)c1cc(=O)[nH]c2ccccc12)c1ccccc1,CID4400696,,,,,,,,,,,,,,,0.0,,
O=C(NCc1ccccc1)c1cc(=O)[nH]c2ccccc12,CID3617222,,,,,,,,,,,0.0,,,,,,
O=C(C1CCN(C2CC(=O)N(c3ccc(F)cc3)C2=O)CC1)N1CCOCC1,CID2983865,,,,,,,,,,,,,0.0,,,,
O=C(C1CCN(C2CC(=O)N(c3ccc(Cl)cc3)C2=O)CC1)N1CCOCC1,CID2981306,0.0,,,,,,,,,,,,,,,,
CC(c1ccccc1)n1cc(C(=O)NCC2COc3ccccc3O2)nn1,CID644799,,,,,0.0,,,,,,,,0.0,,,,
O=C(NCC1COc2ccccc2O1)c1cn(Cc2ccc(F)cc2)nn1,CID653765,,,,,,,,0.0,,,0.0,,,,,,
O=C1CCCC2=C1C(c1ccc(Cl)cc1)N1C(=O)CCSC1=N2,CID4066042,,,,,,,,,,,0.0,,,,,,
CC1(C)CC(=O)C2=C(C1)N=C1SCCC(=O)N1C2c1ccccc1,CID2998857,0.0,,0.0,,,0.0,,,,,0.0,,,,0.0,,0.0
Cc1csc(NC(=O)CCn2c(=O)sc3ccccc32)n1,CID767828,0.0,,,0.0,0.0,,0.0,,0.0,0.0,0.0,,0.0,0.0,,,
O=C(CCn1c(=O)sc2ccccc21)Nc1nccs1,CID3242947,,,0.0,,0.0,,,,0.0,,,,0.0,,,0.0,
CC(C)(C)c1nc2ccccc2c2nnc(SCC(=O)NCc3ccco3)n12,CID647449,,,0.0,,,,0.0,0.0,0.0,,0.0,,,,,,
CC(C)c1nc2ccccc2c2nnc(SCC(=O)NCc3ccco3)n12,CID652183,,,0.0,0.0,,,,,0.0,,,,,,,0.0,
O=C(CC(SCCO)c1ccc(F)cc1)c1ccco1,CID2999635,,,0.0,,,,,0.0,,,,,,,,,
Cc1ccc(C(CC(=O)c2ccco2)SCCO)cc1,CID2998990,,,,,0.0,,,0.0,,,,,,,,,
CCOc1ccccc1N1CCN(Cc2ccco2)CC1,CID591367,,,,,,,,,,0.0,,0.0,,,,,
COc1ccccc1N1CCN(Cc2ccc(Br)o2)CC1,CID1376803,0.0,,,,,,,,0.0,,0.0,,,,,0.0,
CC(C)(C)c1cc2cccnc2n1Cc1cccc(F)c1,CID1488065,,,,,,0.0,,,,,,0.0,,,,,
CC(C)(C)c1cc2cccnc2n1Cc1cccc(Cl)c1,CID1488070,,,,,,,,,,,,0.0,,,,,
Cc1cc(NC(=O)CSc2nnnn2C)n(-c2ccccc2)n1,CID2455839,,,,,,,,,,,0.0,,,,,,
Cn1nnnc1SCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1,CID2999183,,0.0,,0.0,0.0,,,,,,,,,,,,
COC(=O)CSc1nc2ccc(NC(=O)CSc3nnnn3Cc3ccccc3)cc2s1,CID1824214,,,,,0.0,,,,,,,0.0,,,,,
CCOC(=O)CSc1nc2ccc(NC(=O)CSc3nnnn3Cc3ccccc3)cc2s1,CID1824219,,,,,,,,,,,,0.0,,,,,
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccco3)[nH]n2)cc1,CID870003,,,,,,,,,,0.0,0.0,0.0,,,,,
O=C(N/N=C/c1ccco1)c1cc(-c2ccccc2)n[nH]1,CID824188,,,,,,,,,,,,0.0,,,,,
COc1ccc(C(=O)NC2CCN(C(=O)NC3CCCCC3)CC2)cc1,CID650024,0.0,0.0,0.0,,,0.0,,,,,,0.0,,,,,0.0
Cc1ccc(C(=O)NC2CCN(C(=O)NC3CCCCC3)CC2)cc1,CID3218387,,,,,,,,,,,0.0,,,,,,
CC1CCCCC1NC(=O)CN1CCC(O)(c2ccc(F)cc2)CC1,CID650020,,,,,,0.0,0.0,0.0,,,,,,,,,
CC(=O)NC1(c2cccc(F)c2)CCN(CC(=O)NC2CCCCC2)CC1,CID647937,0.0,,0.0,,,,,0.0,,,,0.0,,,,,
COc1ccccc1-n1cnnc1SCC(=O)Nc1ncc(Cl)cc1Cl,CID2089274,0.0,,,,,,0.0,,,,0.0,,,,,,
COc1ccc(-n2cnnc2SCC(=O)Nc2nc(C)c(Cl)cc2Cl)cc1,CID2439261,,,,,,,,,,,0.0,,,,,,
Nc1ccc2oc(CCc3ccccc3)nc2c1,CID765854,0.0,,,0.0,,0.0,,,,0.0,0.0,0.0,,,,0.0,
Nc1ccc(CCc2nc3ccccc3o2)cc1,CID652469,0.0,,0.0,0.0,,,0.0,,,,,0.0,,,,,
O=C(CSc1nnc(-c2ccco2)o1)NC1CCCCC1,CID602712,,,,,0.0,,,,,,,,0.0,,,0.0,
CN(C(=O)CSc1nnc(-c2ccco2)o1)C1CCCCC1,CID2407516,0.0,0.0,,,0.0,0.0,0.0,,,,,,0.0,0.0,,,0.0
Cc1ccccc1-c1nc(CS(=O)(=O)CC(=O)N2CCc3ccccc32)c(C)o1,CID5309697,,,,,,,,0.0,,,,,0.0,,,,
Cc1oc(-c2ccccc2F)nc1CS(=O)(=O)CC(=O)N1CCc2ccccc21,CID5308350,,,,,,,,0.0,,,0.0,,,,,,
N/C(=N\S(=O)(=O)c1ccc(Cl)s1)c1ccccc1,CID9579597,,,,,,,0.0,,,,0.0,,,,0.0,,
N/C(=N\S(=O)(=O)c1cccs1)c1ccccc1,CID5738621,,,,,,,0.0,,,0.0,,,,,,,0.0
O=c1n(S(=O)(=O)c2cccs2)c2ccccc2n1S(=O)(=O)c1cccs1,CID2059922,,,,,,,,,0.0,,,,,,,,
Cc1ccc2c(c1)n(S(=O)(=O)c1cccs1)c(=O)n2S(=O)(=O)c1cccs1,CID2201404,,,,,0.0,,,,0.0,,,,,,,,
O=C1c2ccccc2C(=O)N1CC(=O)N1c2ccccc2CCc2ccccc21,CID996059,,,,,,0.0,,,,,,0.0,,,,,
CC(C(=O)N1c2ccccc2CCc2ccccc21)N1C(=O)c2ccccc2C1=O,CID3120687,,,,,,0.0,,,,,,,,,,,
Cc1nn(CCOc2ccccc2)c(=O)n1-c1c(F)cccc1F,CID3708439,,,,,,,,,,,,0.0,,,,,
Cc1nn(CCOc2ccccc2)c(=O)n1-c1cccc(F)c1,CID3763859,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1cnc(-c2ccccc2)[nH]c1=O,CID657593,,,,,,0.0,,0.0,,0.0,,,0.0,,0.0,,
CCOC(=O)c1cnc(-c2cccc(OC)c2)[nH]c1=O,CID2712193,,,0.0,,,,,0.0,,0.0,,,,,0.0,,
O=C(Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)c1ccco1,CID1307442,,,,0.0,0.0,,,,,,0.0,,,,0.0,,
O=C(Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)c1ccc(Br)o1,CID1015563,,,,,,,0.0,,0.0,,,,,0.0,0.0,0.0,0.0
Cc1cccc(N(C)S(=O)(=O)c2ccc3[nH]cc(C(=O)N4CCOCC4)c(=O)c3c2)c1,CID3236427,,,0.0,0.0,0.0,,,,,,,,0.0,,,0.0,0.0
CCN(c1ccccc1)S(=O)(=O)c1ccc2[nH]cc(C(=O)N3CCOCC3)c(=O)c2c1,CID3242000,,0.0,0.0,,0.0,,,,0.0,,,,,,,,0.0
Cc1cc(C)cc(NC(=O)N(CCc2nc3ccccc3[nH]2)C2CCCC2)c1,CID1454592,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccccc1)N(CCc1nc2ccccc2[nH]1)C1CCCC1,CID651114,,0.0,0.0,,,,,0.0,,,,,0.0,,,,0.0
COc1cc2c(cc1OC)C(Cc1ccc(O)cc1)N(C)CC2,CID98348,,,,,,,,,,,,,0.0,,,,
COc1ccc(CC2c3cc(OC)c(OC)cc3CCN2C)cc1OC,CID15548,,,,0.0,,,,,0.0,,,,,,0.0,0.0,
Cn1c(C(=O)NC2CCCCC2)cc2c(=O)n(C)c3ccccc3c21,CID5307097,0.0,,,,,,,0.0,,,,,,,,,
CC1CCC(NC(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)CC1,CID5307873,0.0,,0.0,,,0.0,,,,,,,,,,,
CC1CCN(CCCNC(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)CC1,CID5307091,,,,,,0.0,,,,,,,,,,,
CC1CCCC(C)N1CCCNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C,CID5307277,,,,,,0.0,,0.0,,,,,,,,,
CC(C)C(C(=O)Nc1ncn[nH]1)N1C(=O)c2ccccc2C1=O,CID659998,,0.0,,,,,,0.0,,,0.0,,,,,,
CC(C(=O)Nc1ncn[nH]1)N1C(=O)c2ccccc2C1=O,CID2789423,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(OCC)c(NC(=O)c2ccc(CNc3c(N4CCOCC4)c(=O)c3=O)cc2)c1,CID3237773,,,,,,,0.0,,0.0,,,,,,,,
Cc1cc(C)cc(NC(=O)c2ccc(CNc3c(N4CCOCC4)c(=O)c3=O)cc2)c1,CID9550437,,,,,,,,,,,0.0,0.0,,,,,
CCOC(=O)N1CCN(C(=O)CSCC(=O)/N=c2\sc3ccccc3n2C)CC1,CID3237774,,,,,,,,,,,,,,,,,0.0
CCOC(=O)N1CCN(C(=O)CSCC(=O)/N=c2\sc3cc(OC)ccc3n2C)CC1,CID3245790,,,,,0.0,,,,,,,,,,,,
O=C(NCc1cccs1)C1CCC(CNS(=O)(=O)c2cccs2)CC1,CID3237775,,,,,0.0,,,,0.0,,,,,,,,
O=C(NCc1cccs1)C1CCC(CNS(=O)(=O)c2ccc(Br)s2)CC1,CID3241966,,,,,0.0,,,,0.0,,,,,,,,
Cc1ccc(OCc2nnc(SCC(=O)c3cccs3)n2-c2ccccc2)cc1C,CID2296077,,,,,,,,,,,0.0,,,0.0,,,
O=C(CSc1nnc(COc2ccccc2)n1-c1ccccc1)c1cccs1,CID1043210,0.0,0.0,0.0,,,,0.0,,,,0.0,,,,,,
Cc1cccc(C)c1NC(=O)N1CCCCCCC1,CID16193799,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccc(Br)cc1)N1CCCCCCC1,CID3245808,0.0,,,,,,,,,,,,,,,0.0,
O=S(Cc1ccccc1)CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1,CID2765180,,,,,,,,,,,,,,0.0,,,
O=S(Cc1ccccc1)CC(O)(c1ccccc1)c1ccccc1,CID2765160,,,,,,0.0,,,,,,,,,,,
CC(=O)C1C(=O)NC23CCCCC2C1c1ccccc1O3,CID2963435,,,,,,,,0.0,,0.0,,,,,,,0.0
CN1C(=O)C(C(=O)NC(C)(C)C)C2c3ccccc3OC13CCCCC23,CID3238092,,,,,,,,,,,,,0.0,,,,0.0
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc2nc[nH]c2c1,CID948858,,,,,,0.0,,,,,,,,,,,
O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2nc[nH]c2c1,CID947646,,,,,,0.0,,,,,,,,,,,
COC(=O)Cc1cnc(NC(=O)C2C3CCC(C3)C2C(=O)O)s1,CID2930992,,,,0.0,,,,,,,,,,,,,
O=C(Nc1nccs1)C1CC2CCC1C2,CID3121269,,,,,,,,,,,0.0,,,,,,
COc1cnn(-c2ccccc2)c(=O)c1SCc1ccc(Cl)cc1Cl,CID990043,,,,,,,,,,,,,,0.0,,,
COc1cnn(-c2ccc(C)cc2)c(=O)c1SCc1ccccc1,CID851023,,,,,,,,,,,,,,0.0,,,
O=C(CCC1CCCC1)Nc1ccon1,CID2168968,,,,,,,,,,0.0,,,0.0,,,,
Cc1cc(NC(=O)CCC2CCCC2)no1,CID897397,,,,,,,,,0.0,0.0,,,,,,0.0,
COc1ccc(C(=O)CN2C(=O)C(C)(C)Oc3ccc(C(=O)N4CCCCCC4)cc32)cc1,CID649884,,,0.0,,0.0,,,,0.0,,0.0,,,,,,0.0
COc1cccc(C(=O)CN2C(=O)C(C)(C)Oc3ccc(C(=O)N4CCCCCC4)cc32)c1,CID647594,,,,,0.0,0.0,,,0.0,,,,0.0,,,,
COc1cc(C2Sc3ccccc3NC3=C2C(=O)OC3)cc(OC)c1OC,CID3149805,,,,,,,,,,,,0.0,,,,,
CCOc1ccc(C2Sc3ccccc3NC3=C2C(=O)OC3)cc1,CID2937041,,,,,,0.0,,,,,,,,,,,
O=C(COc1nc2ccccc2nc1N1CCOCC1)N1CCc2ccccc21,CID2088850,0.0,,,,,,,0.0,,,0.0,,,0.0,,,
CC1Cc2ccccc2N1C(=O)COc1nc2ccccc2nc1N1CCOCC1,CID2999510,0.0,,,,0.0,0.0,,0.0,,,,0.0,,,,,
CN(c1ccc(OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1)S(=O)(=O)c1ccc(Cl)cc1,CID2349135,,,,,,,,,0.0,,,0.0,,,,,
CCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cc2)cc1,CID2361772,,,0.0,,0.0,,,,,0.0,0.0,,0.0,,,,
COc1ccc(CC(=O)OCN2C(=O)c3ccccc3C2=O)cc1,CID660703,,,0.0,,,,0.0,0.0,,0.0,,,,,0.0,,
CCOc1ccc(CC(=O)OCN2C(=O)c3ccccc3C2=O)cc1,CID949028,,,,,,,,,,,,,,,0.0,,
S=c1[nH]nc(-c2cccnc2)n1/N=C/c1cccs1,CID668531,,,,,,,,,,,,0.0,,,,,
Cc1ccsc1/C=N/n1c(-c2cccnc2)n[nH]c1=S,CID892830,,,,,,0.0,,,,,,,,,,,
Clc1ccc(-c2nnc3n2CCCC3)cc1,CID1487852,,,,,,0.0,,,,,,,,,,,
c1ccc(-c2nnc3n2CCCC3)cc1,CID1478281,,,,,,0.0,,,,,,,,,,,
CCS(=O)(=O)N1CCN(C(=O)c2cccnc2)CC1,CID719637,,,,,,,,,,,,,,,,0.0,
CCCS(=O)(=O)N1CCN(C(=O)c2cccnc2)CC1,CID719649,,,0.0,,,,,,,,,,0.0,,,,0.0
Cc1cc(-c2ccco2)n(-c2ccccc2)n1,CID708752,,,,,,,,,,,,,,0.0,,,
COc1cccc(-n2nc(C(C)=O)c(C#N)c2-c2ccco2)c1,CID1214583,,,,,,,,,,,,,,,0.0,,
Cc1nn(Cc2cccc(C(=O)Nc3ccn(Cc4ccccc4)n3)c2)c(C)c1[N+](=O)[O-],CID998659,,,,,,,,,,,,0.0,,,,,
O=C(Nc1ccn(Cc2ccccc2)n1)c1cccc(Cn2cc([N+](=O)[O-])cn2)c1,CID999211,,,,,,,,,,,,,,,0.0,,
O=C(CSc1ncccn1)N1CCCc2ccccc21,CID1084806,,,,,,,,,,,,,,,0.0,,
Cc1ccnc(SCC(=O)N2CCCc3ccccc32)n1,CID1154148,,,,,,,,,,,,,,,0.0,,
CC(c1ccccc1)C(CC(=O)O)C(=O)NC1CCCCC1,CID3580170,,,,,,0.0,,,,,,0.0,0.0,,,,
Cc1ccc(CC(CC(=O)O)C(=O)NC2CCCCC2)cc1,CID2910149,,,,0.0,,,0.0,0.0,,,,,,,,,
CN(C)S(=O)(=O)c1ccc(NC(=O)COC(=O)c2n[nH]c3ccccc23)cc1,CID2088068,,,,,,,,,0.0,,,,,,0.0,,
CN(C(=O)COC(=O)c1n[nH]c2ccccc12)c1ccccc1,CID2378569,,,,,,,,,,,,,,0.0,0.0,,
O=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)NCCc1ccccc1,CID3239481,,,0.0,0.0,,,,,,0.0,,,,,0.0,,0.0
O=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)NCCc1ccccc1Cl,CID3238560,,0.0,,0.0,,,0.0,,,,,,,,,,
CCOc1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)C1,CID3236932,,,,,0.0,,,0.0,,,0.0,,,,,,0.0
CCc1cccc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)[nH]c(=O)[nH]c3=O)C2)c1,CID3243770,,,,,,,,0.0,,,,,,,,,
Cc1cc(=O)n2ncnc2n1COCCO,CID2868601,,0.0,,0.0,,,,0.0,,,,,,,,,
CCOC(=O)CCc1c(C)n(CC)c2ncnn2c1=O,CID5308759,,,,,,,,0.0,,,,,,,,,
CCCSc1nnc(NC(=O)c2nc(SC)ncc2Cl)s1,CID2235466,,,,,,,,,0.0,,,,,,,,
CSc1ncc(Cl)c(C(=O)Nc2nnc(SC)s2)n1,CID2234677,,,,,0.0,,,,0.0,,,,,,,,
COc1ccc(N2CC(C(=O)NCCC3=CCCCC3)CC2=O)cc1,CID586130,,,,,,0.0,0.0,,0.0,,,,,,,,
CCOc1ccc(N2CC(C(=O)NCCC3=CCCCC3)CC2=O)cc1,CID2920226,,,,0.0,,,,,,,,,0.0,,,,
COc1ccc(NC(=O)CN2CCC(C(N)=O)(N3CCCCC3)CC2)cc1,CID1250699,,,,,,,,,0.0,,0.0,,,,,,
NC(=O)C1(N2CCCCC2)CCN(CC(=O)Nc2cc(Cl)ccc2Cl)CC1,CID1962695,,,,,,,,,,,,,,,,0.0,
CC1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)NC(=O)NCc2ccco2)C1=O,CID2997958,,,,,,,0.0,,,,,,0.0,,,,
CC1(c2ccccc2Cl)NC(=O)N(CC(=O)NC(=O)NCc2ccco2)C1=O,CID2997604,,,,,,,0.0,,,,,,0.0,,0.0,,
CC(=O)NC1(c2cccc(F)c2)CCN(C(=O)Nc2ccc(C#N)cc2)CC1,CID646617,,,,,,,,,,,0.0,0.0,,,,,
Cc1ccc(NC(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)cc1,CID650430,0.0,0.0,0.0,0.0,,,,,,,,,,,,0.0,0.0
CC(C(=O)NCc1ccccc1)N1C(=O)CN(C)C(=O)c2ccccc21,CID646610,,,,,0.0,,0.0,,0.0,,,,0.0,,,0.0,
CN1CC(=O)N(CC(=O)NCc2ccc(F)cc2)c2ccccc2C1=O,CID650577,,,,,,,,0.0,,,,,,,,,
Cc1cc(C)c2[nH]c(=O)c(C(c3nnnn3CC3CCCO3)N3CCCC(C)C3)cc2c1,CID646618,,,0.0,,,,,,,,,,,,,,
Cc1cc(C)c2[nH]c(=O)c(C(c3nnnn3CC3CCCO3)N3CCC(C)CC3)cc2c1,CID652268,,,,,,,0.0,,,0.0,,,,,,,
O=C(NCc1ccc2c(c1)OCO2)c1nn2cccnc2c1Cl,CID2236914,0.0,0.0,0.0,,,,,0.0,,0.0,,,,,0.0,,0.0
O=C(NCc1ccc2c(c1)OCO2)c1cc2ncc(Br)cn2n1,CID2240578,,,,,,,0.0,,,,,,,,0.0,,0.0
C=CCn1c(C)cc(C(=O)CSc2nnc(NC(C)C)s2)c1C,CID2501631,,,,,,0.0,,,,,,,,,,,
COCCn1c(C)cc(C(=O)CSc2nnc(C)s2)c1C,CID2200749,0.0,,,,0.0,,0.0,,0.0,0.0,0.0,,,0.0,0.0,,
COc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccs2)cc1,CID2309400,,,,,,0.0,,,0.0,,0.0,,,,,,
COc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccs2)c1,CID2309402,,,,,,,,,0.0,,0.0,,,,,,
COc1cccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)CCC(C)C3)c1,CID3278537,,,,,,,,,,,0.0,,,,0.0,,
COc1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)CCCC3)cc1,CID2437544,,,,,,,,,0.0,0.0,0.0,,,,0.0,,
O=C(CSCc1ccco1)c1ccc(Cl)s1,CID2381290,,,,,,0.0,,,,0.0,,,,0.0,,,
O=C(CSCc1ccco1)c1cccs1,CID2336428,,,,,,0.0,0.0,,,0.0,,,,,,,
O=C(CCc1nc(-c2cccs2)no1)NCc1ccc(F)cc1Cl,CID9550879,,,,,,0.0,,,,,,,,,,,
COc1ccc(OC)c(CNC(=O)CCc2nc(-c3cccs3)no2)c1,CID5308931,0.0,,,,,,,,,,,,,,,0.0,
O=c1ccn(Cc2ccccc2Cl)cc1,CID1253322,,,,,,,,,,0.0,,,,,,,
CC(=O)c1c(O)n(Cc2ccccc2)c(C)cc1=O,CID338970,,,,,,,0.0,,,,,,,,,0.0,0.0
Cc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2CCCCC(=O)O)no1,CID3238388,,0.0,,,0.0,0.0,,,0.0,,0.0,,0.0,,,0.0,0.0
CCCCn1c(SCC(=O)Nc2cc(C)on2)nc2ccsc2c1=O,CID3236293,,0.0,,,0.0,,0.0,,,,0.0,,,,,0.0,0.0
Cc1cc(C)nc(N2CCC(C(=O)NC3CCCCCC3)CC2)n1,CID652382,,,,,,,0.0,0.0,,,0.0,0.0,0.0,,,0.0,
Cc1ccnc(N2CCC(C(=O)NC3CCCCCC3)CC2)n1,CID646431,0.0,,,,,0.0,,,,,0.0,0.0,0.0,,,,
O=c1cc(CCl)nc2sc3ccccc3n12,CID2111478,,,,,,,,,,,,,,0.0,,,
CCOc1ccc2c(c1)sc1nc(C(=O)OC)cc(=O)n12,CID816248,0.0,,,,,,,0.0,,,0.0,0.0,,,,,
O=C(CSc1cccc[n+]1[O-])c1ccccc1Br,CID2434031,,,,,,,,,,,,,,0.0,,,
O=C(CSc1cccc[n+]1[O-])c1ccc(Cl)cc1,CID2341267,,,,,,,,,,,,,,0.0,,,
O=c1oc(-c2ccccc2)nc2sc3c(c12)CCC3,CID690923,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccccc1-c1nc2sc3c(c2c(=O)o1)CCC3,CID828436,,,,,,,,,,0.0,0.0,0.0,,0.0,,,
O=C(O)CC1S/C(=N\N=C\c2ccccc2)N(c2ccc(O)cc2)C1=O,CID2888080,,,,,,,,,,,,,,,0.0,,
O=C(O)CC1S/C(=N\N=C\c2ccc(Br)cc2)N(c2ccccc2)C1=O,CID4038841,,,,,,,,,,,,,,0.0,,,
O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1ccc2c(c1)OCCO2,CID655656,,,,,,,0.0,0.0,,,,,0.0,,,,
CC(C(=O)Nc1ccc2c(c1)OCCO2)N1CCN(C(=O)c2ccco2)CC1,CID4035057,,,,,,,,,,,0.0,,,,,,
COc1ccc(NC2=C(C(C)=O)C(c3ccc4c(c3)OCO4)C(C(C)=O)C(C)(O)C2)cc1,CID655654,,,,,,,0.0,,,0.0,,,,,,,
CC(=O)C1=C(Nc2ccccc2)CC(C)(O)C(C(C)=O)C1c1ccc2c(c1)OCO2,CID651398,,,0.0,,,,,,,0.0,,,,,,,
CN(C(=O)c1cnccn1)c1nnc(-c2cnccn2)s1,CID655653,,0.0,,,0.0,,0.0,,,,,,,,,,
Cc1cnc(-c2nnc(N(C)C(=O)c3cnccn3)s2)cn1,CID647814,,,,,0.0,,,,,,0.0,,0.0,,,,
CCN1CCN(C(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)CC1,CID5308440,,0.0,,,,,0.0,,,,,,,0.0,,,
CCOC(=O)N1CCN(C(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)CC1,CID5309934,,,,,,,,,0.0,,,,,,,,
CCCCc1ccc(/C=C2\C(=O)ON=C2c2ccccc2)s1,CID1748955,,,,,,,,,,,,,,0.0,,,
CCCCc1ccc(/C=C2/C(=O)ON=C2c2ccccc2)s1,CID1748953,,,,,,,,,,,,,,0.0,,,
CCCN1CCN(CCCNC(=O)Cn2cc3c(n2)CCCC3)CC1,CID5307720,,0.0,,,,,,,,,0.0,,,,,,
CCN1CCN(CCCNC(=O)Cn2cc3c(n2)CCCC3)CC1,CID5309687,,0.0,,,,0.0,,0.0,,,,,0.0,,,,
O=C(N/N=C/c1cccc(O)c1)c1ccc(COc2ccc3c(c2)CCC3)o1,CID1028426,,,,,,0.0,,,,,,,,,,,
COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(COc2ccc3c(c2)CCC3)o1,CID1002961,,,,,,,,,,,,0.0,,,0.0,,
c1ccc(N2CCOCC2)c(Nc2nc3ccccc3n3cnnc23)c1,CID5307722,,0.0,,,,0.0,,0.0,,,,,,,,,
FC(F)(F)c1ccc(N2CCOCC2)c(Nc2nc3ccccc3n3cnnc23)c1,CID3242631,0.0,,,,,,,,,,,,,,,,
CCOc1ccc(N(CC(=O)NC2CCCC2)S(=O)(=O)c2c(C)noc2C)cc1,CID5307724,,,,,,,,0.0,,,,,,,,0.0,
CCc1ccc(N(CC(=O)NC2CCCC2)S(=O)(=O)c2c(C)noc2C)cc1,CID4621417,,,,,0.0,,,,,,,,0.0,,,0.0,
O=C(CSc1nnc(NC2CCCCC2)s1)NC1CCS(=O)(=O)C1,CID2998898,,,,,0.0,0.0,,,0.0,,,0.0,,,,,
CN(C(=O)CSc1nnc(NC2CCCCC2)s1)C1CCS(=O)(=O)C1,CID2998916,,,,,0.0,,,,0.0,,,,,,,,
O=C(COC(=O)C1(c2ccc(F)cc2)CCCC1)N1CCN(C(=O)c2ccco2)CC1,CID2998896,,,,0.0,,,0.0,,0.0,,,,,,,,
O=C(COC(=O)C1(c2ccccc2F)CCCC1)N1CCN(C(=O)c2ccco2)CC1,CID2998046,,0.0,,,,,0.0,,0.0,,,,,,,,
COc1cc(C2N=C(c3ccccc3)NO2)cc(Br)c1O,CID2998897,,,,,,,,,0.0,,,,,,,0.0,
Cc1ccccc1C1=NC(c2ccc(F)cc2F)ON1,CID2998681,,,,,,,0.0,,,,,0.0,,,,,
CCOc1ccc2nc(SCC(=O)N(C)C3CCS(=O)(=O)C3)[nH]c2c1,CID2998895,,,0.0,,0.0,,0.0,,,,0.0,,,,,,
CCOc1ccc2nc(SCC(=O)NC3CCS(=O)(=O)C3)[nH]c2c1,CID2998153,,,,,0.0,,0.0,,,0.0,0.0,,,,,,
COc1ccc(-c2nc3cccc4cccc([nH]2)c43)cc1,CID3149395,,,,,,0.0,,,,,,0.0,,,,,
COc1ccccc1-c1nc2cccc3cccc([nH]1)c32,CID801625,,,,,,,,,,,,0.0,,,,,
COc1ccc(C2SCC(=O)N=C3C2=C(C)NN3C2CCOC(C)(C)C2)cc1,CID5784775,,,,,,0.0,,,,,,,,,,,
CC1=C2C(=NC(=O)CSC2c2ccc(OC(C)C)cc2)N(C2CCOC(C)(C)C2)N1,CID5295759,,,,,,0.0,,,,,0.0,,,,,,
CC1(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)OCCCO1,CID1087298,,,,,,,,,,,,0.0,,,,,
COc1cc(/C=N/NC(=O)CC2(C)OCCCO2)ccc1OCc1ccc(Cl)cc1Cl,CID3677165,,,,,,,,,,,,,,0.0,,,
CCCc1nc2ccccc2c2nc(N)nn12,CID893376,,0.0,,0.0,,,,0.0,,,,0.0,,,,,
Cc1nc2ccccc2c2nc(N)nn12,CID607943,,,,,,,,,,,,0.0,,,,,
CN(C)C(=O)N1CCC(C(=O)NCc2ccc3c(c2)OCO3)CC1,CID4694780,,,,,,,,,,,0.0,,,,,,
CCCS(=O)(=O)N1CCC(C(=O)NCc2ccc3c(c2)OCO3)CC1,CID4115056,,,,,,,,,,,,,,0.0,,,
CCCC(=O)NC1=C(C#N)C2(CCCC2)Cc2ccccc21,CID762638,,,0.0,,,,,,,0.0,,,0.0,,,0.0,
CCC(=O)NC1=C(C#N)C2(CCCC2)Cc2ccccc21,CID602873,,,,,,,,0.0,,,,,,,,,
CC12CN3CC(C)(CN(C1)C3c1ccco1)C2=O,CID762633,,,,0.0,,0.0,,,,,,,,,,,
CC(C)C12CN3CC(C(C)C)(CN(C1)C3c1ccco1)C2=O,CID808574,,,,,,,,,,0.0,,,,,,,
O=C(CSc1nc2c(c(=O)n1-c1ccccc1)SCC2)N1CCN(c2ccccc2)CC1,CID2155105,,,0.0,,,,,,,,,,,,,,0.0
COc1ccc(-n2c(SCC(=O)N3CCN(c4ccccc4)CC3)nc3c(c2=O)SCC3)cc1,CID2155295,0.0,,,,,,,,,,0.0,,,,,,0.0
O=C(O)COc1ccccc1/C=N/NC(=O)Cc1csc(Nc2cccc(C(F)(F)F)c2)n1,CID1265987,,,,,,,,,,,,,,0.0,,,
COc1ccc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(OC)c1,CID996619,,,,,,,,,,,,0.0,,,,,
CCc1nnc(NC(=O)CSc2nnc(Cc3ccccc3)n2Cc2ccccc2)s1,CID651691,,0.0,,,,,,,,,,0.0,,,,,0.0
Cc1nnc(NC(=O)CSc2nnc(Cc3ccccc3)n2Cc2ccccc2)s1,CID1260067,,0.0,,0.0,,,,,,,,,,,,,
O=C(COc1ccccc1Cl)NC(=O)NC1CCCC1,CID2631946,0.0,0.0,,,,0.0,,,,0.0,,,0.0,,,0.0,
O=C(COc1c(F)c(F)cc(F)c1F)NC(=O)NC1CCCC1,CID2544312,,,,,,,0.0,,0.0,,,,,,,,1.0
O=C(Nc1ccccc1)Nc1ncccn1,CID853562,,,,,,0.0,,,,,,,,,,,
Cc1cc(C)nc(NC(=O)Nc2ccccc2C(F)(F)F)n1,CID971930,0.0,,,,0.0,,,,0.0,,,,,,,,
O=C(Nc1ccccc1C(=O)NCCCn1ccnc1)c1ccccc1,CID662097,0.0,,0.0,0.0,,,0.0,0.0,,,,0.0,0.0,,0.0,,0.0
COc1ccc(C(=O)Nc2ccccc2C(=O)NCCCn2ccnc2)cc1,CID2883729,0.0,,0.0,0.0,,,,,,,,0.0,0.0,,,,0.0
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3c(-c4ccccc4Cl)noc3C)cc2)n1,CID1150948,,,,,,,,,0.0,,,,,,,,
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1,CID2355899,,,,,,,,,0.0,,,,,,,,
Cc1ccc(/C=N/N2C(=S)SC(C)(C)C2N(O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1,CID3768345,,,,,,,,,,,,0.0,,0.0,,,
CN(C)c1ccc(/C=N/N2C(=S)SC(C)(C)C2N(O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1,CID3849161,,,,,,0.0,,,,,,,,,,,
O=C1CC(c2ccc(F)cc2)Sc2nc(C34CC5CC(CC(C5)C3)C4)nn21,CID2920117,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(C2CC(=O)n3nc(C45CC6CC(CC(C6)C4)C5)nc3S2)cc1OC,CID2919681,,,,,,0.0,,,,,,0.0,,,,,
CCOC(=O)CSc1nnc(CNC(=O)c2ccco2)n1-c1ccc(F)cc1,CID2159421,,,,,0.0,,,,,0.0,,,,,,,
COC(=O)CSc1nnc(CNC(=O)c2ccco2)n1-c1ccc(F)cc1,CID2059313,,0.0,,,0.0,,0.0,,,0.0,,,,0.0,,,
Cc1noc(/C=C/c2ccco2)c1S(=O)(=O)N1CCC(C(=O)NC(C)c2ccccc2)CC1,CID9550445,,,,,,0.0,,,,,,0.0,,,,,
Cc1noc(/C=C/c2ccco2)c1S(=O)(=O)N1CCC(C(=O)N(C)Cc2ccccc2)CC1,CID5771447,,,,0.0,,0.0,,0.0,,,,,0.0,,,,
O=C(c1ccc(CN2CCOCC2)cc1)N1CCN(c2ccccc2)CC1,CID1148673,,,,,,,,,,0.0,0.0,,,,,,
Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(CN3CCOCC3)cc2)CC1,CID1314470,0.0,,0.0,,,,,,,,,,,,,0.0,0.0
N#Cc1sc2nc3c(c(-c4cccnc4)c2c1N)CCC3,CID947875,,0.0,,,,,0.0,0.0,,0.0,0.0,,,,,,
NC(=O)c1sc2nc3c(c(-c4cccnc4)c2c1N)CCC3,CID706211,,,,,,,,,,0.0,,,,,,,
COc1ccc(CCNC(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)cc1OC,CID3237258,,0.0,,0.0,0.0,0.0,,,,0.0,,0.0,,,,0.0,0.0
Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)NCCc1ccccc1,CID5307752,0.0,,,,,,,,,,,,,,,0.0,
CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)NC(=O)C(N2CCOCC2)S3)CC1,CID3241413,,,,,0.0,,0.0,,,,,,,,,,0.0
CN1CCN(C(=O)c2ccc3c(c2)NC(=O)C(N2CCOCC2)S3)CC1,CID3237905,,,0.0,,,,,,,,,,,,,,
Clc1ccc(COc2ccccn2)cc1Cl,CID917207,,,,,,,,,0.0,,,,,,,,
Clc1ccc(COc2ccccn2)c(Cl)c1,CID658875,,,,,,,0.0,,,,,,,0.0,,,
O=C(c1ccc(Cl)cc1Cl)N1CCC(c2nc3n(Cc4ccco4)[nH]nc-3c(=O)n2)CC1,CID3245076,0.0,,0.0,,,,,,,,,,0.0,,,,
O=C(c1ccccc1Cl)N1CCC(c2nc3n(Cc4ccco4)[nH]nc-3c(=O)n2)CC1,CID6324574,,,,,,,,,,0.0,,,,,,,
COc1ccc2c(c1)CCc1c(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)noc1-2,CID3242723,0.0,0.0,,0.0,0.0,,,,,,0.0,,,,,0.0,
Cc1c(NC(=O)c2noc3c2CCc2ccccc2-3)c(=O)n(-c2ccccc2)n1C,CID5309431,0.0,,,,,,,0.0,,,,,,,,,
O=C(CSc1ccccc1)Nc1ccc(NC(=O)c2ccco2)cc1,CID1093493,,,,,,0.0,,,,,,,,,,,
O=C(CSc1ccc(Cl)cc1)Nc1ccc(NC(=O)c2ccco2)cc1,CID1093497,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)n2nc(SCC(=O)c3ccccc3)nc2n1,CID714427,,,0.0,0.0,,,0.0,,,,,,,,,0.0,
COc1ccc(C(=O)CSc2nc3nc(C)cc(C)n3n2)cc1OC,CID1251489,,0.0,,,,,,,0.0,,,,0.0,,,,0.0
CC1=CC(=NOC(=O)/C=C/c2ccccc2)C=C(C)C1=O,CID885318,,,,,,,,,,,,,,0.0,,,
CC1=C/C(=N\OC(=O)/C=C/c2ccccc2)C(C)=CC1=O,CID710866,,,,,,0.0,,,,,,,,0.0,,,
COc1ccc(/C=C2/C(=O)N(Cc3ccco3)C(=O)N(C(C)C)C2=O)cc1,CID1815206,,,,,,,,,,,,,,0.0,0.0,,
CCCCN1C(=O)/C(=C/c2ccc(N(C)C)cc2)C(=O)N(Cc2ccco2)C1=O,CID1815226,,,,,,,,,,,,,,0.0,,,
O=C(Cn1cnc2ccccc2c1=O)Nc1nnc(SCc2ccccc2)s1,CID1096310,,,,,,0.0,,,,,,0.0,,,,,
Cc1ccc(CSc2nnc(NC(=O)Cn3cnc4ccccc4c3=O)s2)cc1,CID2524760,,,,,,,,,,,,,,,0.0,,
CCCCc1ccc2c(c1)c(=O)c(C(=O)c1nn[nH]n1)c(O)n2C,CID5067865,,,,,,,,,,,,,,0.0,,,
CCc1ccc2c(c1)c(=O)c(C(=O)c1nn[nH]n1)c(O)n2C,CID825159,,,,,,,,,,,,,,0.0,,,
O=C(CSc1nnc(-c2ccccc2)n1Cc1ccco1)NCc1ccc2c(c1)OCO2,CID2080927,,,,,,0.0,,,,,,,,,,,
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)NCc1ccc2c(c1)OCO2,CID2477828,,,,,,,,,,,,0.0,,,,,
COc1ccc(C2C(C(=O)N3CCCC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1,CID3242179,,,0.0,,0.0,,,,,,,,,,,,
COc1ccc(C2C(C(=O)N3CCCC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC,CID3238089,,,0.0,,0.0,,,,,,,,,,,,
N#Cc1cc(S(=O)(=O)c2ccccc2)c(N)[nH]c1=O,CID1471078,,,,,,,,,,,,0.0,,,0.0,,
Cc1ccc(S(=O)(=O)c2cc(C#N)c(=O)[nH]c2N)cc1,CID1471079,,,,,,,,,,,,0.0,,,,,
CN1CCc2c(sc3c2C(=O)NC(c2ccco2)N3)C1,CID660001,,,,0.0,,0.0,,,0.0,,,,,,,,
Cc1ccc(C2NC(=O)c3c(sc4c3CCN(C)C4)N2)o1,CID660719,,,,0.0,0.0,,0.0,,,0.0,0.0,,,,,,
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccco1,CID770996,,,,,,,,,,,,,,0.0,,,
O=C(Cc1ccccc1)N/N=C/c1ccc(Br)o1,CID795130,,,,,,,,,,,,0.0,,,0.0,,
O=C(Cn1c(=O)oc2ccccc21)NCc1ccco1,CID2988720,,,,,,,0.0,,,,,,0.0,,,0.0,
Cc1ccc(CNC(=O)Cn2c(=O)oc3ccccc32)o1,CID3243426,,,0.0,,,,0.0,,,,,,0.0,,,,
Cc1ccc(OCC(O)CNS(=O)(=O)c2ccccc2C(=O)O)cc1,CID661356,,0.0,,,0.0,,,0.0,,,,,,,0.0,,
O=C(O)c1ccccc1S(=O)(=O)NCC(O)COc1ccc(Br)cc1,CID2908244,,,,,,,0.0,,0.0,,,,,,,,
CN1CCN(c2nc(-c3ccccc3)nc3c2oc2ccccc23)CC1,CID661358,0.0,0.0,0.0,,,0.0,0.0,,,,,,,,,,
OCCN1CCN(c2nc(-c3ccccc3)nc3c2oc2ccccc23)CC1,CID664400,,,,,,,,,,,0.0,,,,,,0.0
COc1ccc(N(C(=O)COc2ccccc2)C2C=CS(=O)(=O)C2)cc1,CID3242490,,,,0.0,,,,,,,,,,,,0.0,0.0
COc1ccc(N(C(=O)COc2ccccc2)C2C=CS(=O)(=O)C2)c(OC)c1,CID3242454,,,,,,,,,,,,0.0,,,,0.0,
O=C(c1cc(-c2cccs2)nc2ccccc12)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1,CID2468293,,,,,,,,,,0.0,0.0,,,,,,
O=C(c1cc(-c2cccs2)nc2ccccc12)N1CCN(S(=O)(=O)c2ccccc2)CC1,CID2220632,,,,,,,,,,,,,,0.0,,,
CC(C)/C=C1\CCCCC1N(C)C(=O)NC(C)C,CID5310788,,0.0,,0.0,,,,0.0,,,,0.0,,,,,
N#CC(C#SN)=C1CCCCC1,CID658154,,,,0.0,0.0,,0.0,,,,,,,,,,
Cn1c(=O)[nH]c(=O)c2c1nc(Sc1ccccc1)n2CCc1ccccc1,CID1394945,0.0,0.0,,,0.0,,0.0,,,,0.0,,,,,,0.0
Cc1ccc(Sc2nc3c(c(=O)[nH]c(=O)n3C)n2CCc2ccccc2)cc1,CID1395397,,,,,,,,,,,0.0,,,,,,
CCn1c2ccccc2c2nnc(SCCCn3c(=O)[nH]c4ccccc43)nc21,CID5310786,,,,,,,,,,,,,0.0,,,,
C=CCn1c2ccccc2c2nnc(SCCCn3c(=O)[nH]c4ccccc43)nc21,CID3149824,,0.0,,,,,,,,,,,,,,,
CCN(CC)CCNc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)SC3,CID3424501,,,,,,0.0,,,,0.0,,,,,,,
CN(C)CCNc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)SC3,CID3732364,,,,,,0.0,,,0.0,,,,,,,,
O=C1CN(C(=O)COc2ccccc2)CCN1,CID833616,,,,,,,,,,,,,0.0,,,,
CCOC(=O)CC1C(=O)NCCN1C(=O)COc1ccc(Br)cc1C,CID2982811,,,,,,,0.0,,0.0,,,,,,,,0.0
O=C(COC(=O)c1ccco1)NCC1CCCO1,CID649244,,,,,0.0,,,0.0,,,0.0,,,,,,0.0
CC(C)CC(OC(=O)c1ccco1)C(=O)NCC1CCCO1,CID654878,,,,,,,0.0,,,,,,,,,,0.0
CCc1cc(CN2CCOCC2)c(NC(=O)c2ccccc2)s1,CID699971,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)Nc2sc(C)c(C)c2CN2CC(C)OC(C)C2)cc1,CID4108282,,,,,,,,,,,,,,,0.0,,
CC(c1ccco1)N(C(=O)c1ccc(Cl)s1)c1ccccn1,CID2998026,0.0,0.0,,0.0,0.0,0.0,,,,0.0,,,,,,,0.0
CC(c1ccco1)N(C(=O)c1cccs1)c1ccccn1,CID3000000,,,,0.0,,,0.0,0.0,,,,,,,,,0.0
O=C(Nc1ccc(O)cc1)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1,CID3097546,,,,,,0.0,,,,,,,,,0.0,,
CCOc1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)c([N+](=O)[O-])c1,CID2888232,,,,,,0.0,,,,,,,,,,,
O=C1c2ccncc2C(=O)N1c1cccc(Cl)c1,CID1512454,,,,,,,,,,,,,,0.0,,,
COc1cccc(N2C(=O)c3ccncc3C2=O)c1,CID1263476,,,,,,0.0,0.0,0.0,,,,,0.0,0.0,0.0,,
Cn1cnnc1SCC(=O)N1CCc2ccccc21,CID778230,,,,,,,,,,0.0,,,,,,,
CC(C)c1nnc(SCC(=O)N2CCc3ccccc32)n1C,CID1451349,,,,,,,,,,,0.0,,,,,,
CCSc1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CC(C)(C)OC3,CID1384927,,,,,,,,,,,0.0,,,,,,
COC(=O)CSc1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CC(C)(C)OC3,CID660641,,,,,,,0.0,,,,,,,,,,
Cc1c(NC(=O)C(C)N2C(=O)C3C4C=CC(C4)C3C2=O)c(=O)n(-c2ccccc2)n1C,CID5307601,,,,,,,,,,,0.0,,,,,,
Cc1c(NC(=O)CN2C(=O)C3C4C=CC(C4)C3C2=O)c(=O)n(-c2ccccc2)n1C,CID3245621,,,,,,,,,,,0.0,,,,,,
CC1(C)CC(=O)C2=C(C1)Oc1ncn(CCCn3ccnc3)c(=N)c1C2c1ccccc1,CID664063,0.0,,0.0,,,,,,,,0.0,,0.0,,,,0.0
COc1ccc(C2C3=C(CC(C)(C)CC3=O)Oc3ncn(CCCn4ccnc4)c(=N)c32)cc1,CID664669,0.0,,0.0,,,,,,,0.0,0.0,0.0,,,,,
CCOc1ccc(-c2[nH]nc3c2C(c2ccc(O)cc2)C(C#N)=C(N)O3)cc1,CID664064,0.0,,,,,,,,0.0,,,,,,,,
CCOc1cc(C2C(C#N)=C(N)Oc3n[nH]c(-c4ccccc4)c32)ccc1O,CID3139811,0.0,,,,,,,,,,,,,,,1.0,
O=c1c2ccccc2nc(N2CCCC2)n1-c1ccc(Cl)cc1,CID3244648,0.0,0.0,,,,0.0,,,,,,,,,,,
O=c1c2ccccc2nc(N2CCCC2)n1-c1ccccc1,CID9550103,,,,,,0.0,,,,,,,,,,,
CC(C)C1(C)C(=O)N=C2c3ccccc3C(=O)N21,CID2729247,,,,,,,,0.0,,0.0,,,,,,0.0,
CCC1(CC)C(=O)N=C2c3ccccc3C(=O)N21,CID657696,,,,,,,,,,,,,,,,0.0,
CCOc1ccc(/C=N/NC(=O)COc2ccccc2-c2ccccc2)cc1,CID3112292,,,,,,,,,,,,0.0,,,,,
COc1ccc(/C=N/NC(=O)COc2ccccc2-c2ccccc2)cc1,CID1118915,,,,,,,,,,,,0.0,,0.0,,,
CCOC(=O)N=S(=O)(Oc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1,CID1101093,,,,,,,,,,0.0,,,,,,,
CCOC(=O)N=S(=O)(Oc1ccc([N+](=O)[O-])cc1)c1ccccc1,CID2305429,,,,,,,,,0.0,,,,,,,,
COc1ccc(NS(=O)(=O)c2csc(C(=O)Nc3ccccc3)c2)cc1,CID1079045,,,,,,,,,,,,,,0.0,,,
O=C(Nc1ccc(F)cc1)c1cc(S(=O)(=O)Nc2ccc(F)cc2)cs1,CID2204303,,,,,,,,,,,,,,0.0,,,
COCCCN(Cc1ccccn1)S(=O)(=O)Cc1ccccc1,CID665338,,,,0.0,,,0.0,0.0,0.0,,,,,,,,
O=S(=O)(Cc1ccccc1)NCc1ccccn1,CID669272,,,,0.0,,,0.0,0.0,,,,,,,,,
Brc1ccc2c(c1)C=Nc1c(ncnc1N1CCCCC1)O2,CID658364,0.0,,,,,,0.0,,0.0,,0.0,0.0,,,,0.0,0.0
Clc1ccc2c(c1)C=Nc1c(ncnc1N1CCCCC1)O2,CID659539,0.0,0.0,0.0,,,,0.0,,,0.0,0.0,0.0,,,,,
CC(=O)N1CCC2(CC1)C(C#N)=C(N)OC1=C2C(=O)CC(C)(C)C1,CID914639,,,,,,0.0,,,,,,,,,,,
CCOC(=O)N1CCC2(CC1)C(C#N)=C(N)OC1=C2C(=O)CC(C)(C)C1,CID1089637,,,,,,,,,,,0.0,,,,,,
Cn1c(SCC(=O)NC2CCCCC2)nnc1-c1cc2cc(Cl)ccc2o1,CID652063,,0.0,0.0,,0.0,0.0,,,,0.0,,,,,,,0.0
CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1cc2cccc(OC)c2o1,CID1092711,,,,,,0.0,,,,,,,,,,,
Cc1ccc(S(=O)(=O)c2c(C)nn(C(C)(C)C)c2OC(=O)c2ccc(Br)o2)cc1,CID3244627,0.0,,,,,,,,,,,,,,,0.0,0.0
Cc1ccc(S(=O)(=O)c2c(C)nn(C(C)(C)C)c2OC(=O)c2ccco2)cc1,CID3236036,,,,,,,,,,0.0,0.0,,0.0,,,,0.0
CCN(C)Cc1c(C(=O)N2CCc3ccccc3C2)nc2ccc(Cl)cn12,CID16191270,,,,,,,,,,,,,,,0.0,,
CC(C)CN(C)Cc1c(C(=O)N2CCc3ccccc3C2)nc2ccc(Cl)cn12,CID16189188,,,,,,,,,,,,,,,0.0,,
Cc1ccccc1-n1nc2c(c1NC(=O)c1c(-c3ccccc3Cl)noc1C)CSC2,CID3243941,0.0,0.0,0.0,,0.0,,,,,,,,,,,,
Cc1ccc(-n2nc3c(c2NC(=O)c2c(-c4ccccc4Cl)noc2C)CSC3)cc1,CID3241882,0.0,0.0,,0.0,0.0,0.0,,,,,,0.0,,,,,0.0
COC(=O)c1cc(=O)n(Cc2ccco2)/c(=N/c2ccc(F)c(Cl)c2)s1,CID1518980,0.0,,0.0,0.0,0.0,,,,,0.0,,,,,,,
CCOC(=O)c1ccc(/N=c2\sc(C(=O)OC)cc(=O)n2Cc2ccco2)cc1,CID1518343,,0.0,0.0,,0.0,,,,,,,,0.0,,,0.0,0.0
Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1CC(=O)O,CID2113979,,,,,,,,,,,,,,0.0,,,
COc1ccc2c(-c3ccccc3)cc(SCC(=O)N(C)C)nc2c1,CID2081497,,,,,,,,,,,,,,0.0,,,
COc1ccc(CC(C)N2CCN(c3ccccc3)CC2)cc1OC,CID2846281,,,,,,,,,,,,0.0,,,,,
Cc1cccc(N2CCN(CCc3ccccc3)CC2)c1C,CID2845581,,,,,,0.0,,,,,,,,,,,
COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCC3)CC2)cc1Cl,CID1008083,0.0,0.0,0.0,0.0,0.0,,,,,0.0,,,,,,,0.0
COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCC3)CC2)cc1,CID655432,,,,,,,,,,,0.0,,,,,0.0,
O=S(=O)(c1ccccc1)N1CCC(O)(CSc2ccc(F)cc2)CC1,CID3750790,,,,,,,,,,,,,,0.0,,,
O=S(=O)(c1ccccc1)N1CCC(O)(CSc2ccc(Cl)cc2)CC1,CID4202821,,,,,,,,,,,,0.0,,,,,
COc1cccc(-n2sc3c(c2=S)-c2cc(OC)ccc2NC3(C)C)c1,CID1000184,,,,,,0.0,,,,,,,,,,,
CCOc1ccc2c(c1)-c1c(sn(-c3ccc(OC)c(OC)c3)c1=S)C(C)(C)N2,CID994244,,,,,,0.0,,,,,,,,,,,
CCCCCCN(Cc1ccco1)c1nc(N2CCOCC2)nc(N2CCOCC2)n1,CID645843,,,,,,,,,,0.0,0.0,,,,,,0.0
CC(C)CCCN(Cc1ccco1)c1nc(N2CCOCC2)nc(N2CCOCC2)n1,CID660236,,,,,,,,,,0.0,,,,,,,
Cc1ccc(S(=O)(=O)N2CCC(=O)N(C(COCc3ccccc3)Cc3ccccc3)CC2)cc1,CID6096757,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)N2CCC(=O)N(C(COCc3ccc(Cl)c(Cl)c3)Cc3ccccc3)CC2)cc1,CID6097912,,,,,,,,,,,,,,,0.0,,
Cc1csc(NC(=O)c2cc3c(s2)-c2ccccc2OC3)n1,CID5308360,,,,0.0,,,,,,,,,,,,,
Cc1cccc2c1-c1sc(C(=O)Nc3nccs3)cc1CO2,CID9550947,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC(=O)c2cc3ccccn3n2)cc1,CID5308364,,,,0.0,,,0.0,,,,,,,,,,
CC(=O)c1cccc(NC(=O)c2cc3ccccn3n2)c1,CID5309459,0.0,,,,,,,,,,,,,,,,
Cc1ccc(/C=C/C(=O)Nc2nccs2)o1,CID2315023,,,,,,,,,,,,,,,0.0,,
Cc1nc(NC(=O)/C=C/c2ccco2)sc1C,CID896577,,,,,,,,,,,,,,,0.0,,
O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1,CID1305266,,,,,0.0,,,0.0,0.0,,,0.0,,,,,0.0
CC1CN(S(=O)(=O)c2ccc(NC(=O)CCCN3C(=O)c4ccccc4C3=O)cc2)CC(C)O1,CID2939851,,,0.0,,0.0,,,0.0,0.0,,,,,,,0.0,0.0
COC(=O)Cn1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c2ccccc21,CID1207502,,,,,,,,,,,,0.0,,,,,
Cn1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21,CID824168,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(CNC(=O)CCCNS(=O)(=O)c2cccc3nonc23)cc1,CID3235729,,,0.0,,,,,,0.0,0.0,,,0.0,,,0.0,
Cc1ccc(CNC(=O)CCCNS(=O)(=O)c2cccc3nonc23)cc1,CID3237643,,,0.0,,,,,,0.0,,,,,,,,0.0
CC(NN1CCN(C)CC1)=C1C(=O)NC(=O)NC1=O,CID5927331,,,,,,,,,,,,,,,0.0,,
CCC(NN1CCN(C)CC1)=C1C(=O)NC(=O)NC1=O,CID5911990,,,,,,,,,,,,,,,0.0,,
Cn1c(SC/C=C/c2ccccc2)nnc1-c1cnccn1,CID1741735,,0.0,,,0.0,,0.0,,,,,,,,,0.0,
CCn1c(SC/C=C/c2ccccc2)nnc1-c1cnccn1,CID2012278,0.0,,0.0,,0.0,,,,,,,,,,,,
CC1(C)CC2(CC(C)(C)NC(=O)N2)NC(=O)N1,CID100750,,,,,,,,,,,,,,,,0.0,
CN1C(=O)N(C)C2(CC1(C)C)CC(C)(C)N(C)C(=O)N2C,CID655377,,,,0.0,,,,,,,,,,,,,
C/C(NCCN1CCOCC1)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O,CID6222410,,,,,,,,,,,0.0,,,,,,
COc1ccc(CN2C(=O)NC(=O)/C(=C\NCCN3CCOCC3)C2=O)cc1,CID5389186,,0.0,,,,,,,,,,,,,,,
Cc1cc(C)nc(NC(=O)CSc2nc3ccccc3s2)n1,CID2396236,,,,,,0.0,,,0.0,,,0.0,,,0.0,,
O=C(CSc1nc2ccccc2s1)Nc1ncccn1,CID665184,0.0,0.0,,0.0,0.0,,,,0.0,0.0,,,0.0,,0.0,,
Cc1cccc(N2CCN(C(=O)CCn3c(=S)[nH]c4cc5c(cc4c3=O)OCO5)CC2C)c1,CID3242407,,,,,0.0,,,,,,,,,,,,
COc1cccc(N2CCN(C(=O)CCn3c(=S)[nH]c4cc5c(cc4c3=O)OCO5)CC2)c1,CID3244545,,,,,0.0,,0.0,0.0,,,,,0.0,,,,
CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cc2ccccc2oc1=O,CID1051849,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1cc2ccccc2oc1=O,CID1676037,,,,,,0.0,,,,,,,,,,,
Cn1c(CCCNC(=O)c2ccccc2)nc2ccccc21,CID3243175,,,,,0.0,,,,,,,,,,,,
CC(C)Cn1c(CCCNC(=O)c2ccc(F)cc2)nc2ccccc21,CID3990501,,,,,,,,,,0.0,,,,,,,
CCN1CCN(c2c(Cl)cccc2NC(=O)c2ccc3c(c2)OCCO3)CC1,CID656002,,,,,,,,0.0,,0.0,,,0.0,,,0.0,0.0
CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc3c(c2)OCCO3)CC1,CID1243317,,,,,,,0.0,,,0.0,0.0,,,,,0.0,0.0
O=C1c2ccccc2CCC12N=NCC2c1ccc(Cl)cc1,CID3624805,,,,,,,,,,,,0.0,,,,,
Cc1ccc(C2CN=NC23CCc2ccccc2C3=O)cc1,CID3378490,,,,,,0.0,,,,,,,,,,,
Cc1oc(-c2ccc(Cl)cc2)cc1-c1nn2c(-c3ccoc3C)nnc2s1,CID2145570,,0.0,0.0,,1.0,,,,,,0.0,,,,,,0.0
Cc1oc(-c2ccc(F)cc2)cc1-c1nn2c(-c3ccoc3C)nnc2s1,CID2145571,,,,,,,,,,,0.0,,,,,,
Cc1ccc(-n2nc(C)c3c(=O)oc(C)cc32)cc1,CID723367,,,,,,0.0,,,,,,,,,,,
Cc1cc2c(c(C)nn2-c2ccccc2)c(=O)o1,CID648662,,,0.0,,,0.0,,,0.0,0.0,0.0,,,0.0,,0.0,
Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1,CID2289505,,,,,,0.0,,,,,,0.0,,,0.0,,
Cc1cc(CSc2ccccc2)ccc1NC(=O)c1cccc([N+](=O)[O-])c1,CID1320559,,,,,,0.0,,,,,,,,,,,
CCc1nn(C(C)C(=O)NCCc2ccc(OC)c(OC)c2)c(=O)c2cc3occc3n12,CID3240468,0.0,,,0.0,,,,,,,,,,,,,
CCOc1ccc(CCNC(=O)C(C)n2nc(C)n3c(cc4occc43)c2=O)cc1OCC,CID3241697,0.0,,,,,,,,,,,,,,,,
CCn1c(SCC(=O)NC2CCCCC2)nc2c(c1=O)SC(C)C2,CID3240467,0.0,,0.0,,0.0,0.0,,,,0.0,0.0,,0.0,,,,
CC1Cc2nc(SCC(=O)NC3CCCCC3)n(C)c(=O)c2S1,CID3238285,,0.0,,0.0,0.0,,,,0.0,0.0,,,,,,,
O=C1N(CC(=O)N2CCc3ccccc32)CCN1Cc1ccccc1Cl,CID3240463,,0.0,0.0,,,0.0,0.0,,,,,,,,,0.0,0.0
O=C1N(CC(=O)N2CCc3ccccc32)CCN1Cc1ccc(Cl)cc1,CID3243556,,,,,,,,,,,,,0.0,,,0.0,0.0
CNC(=O)c1ccsc1NC(=O)CCS(=O)(=O)c1ccccc1,CID7189775,,,,,,,,,,,,,,0.0,,,
NC(=O)c1ccsc1NC(=O)CCS(=O)(=O)c1ccccc1,CID7189774,,,,,,,,,,,,,,0.0,,,
Cc1cc([N+](=O)[O-])nn1CC(=O)NCCc1c[nH]c2ccccc12,CID1511719,,,,,,,,,,,,,,0.0,,,
O=C(Cn1cc([N+](=O)[O-])cn1)NCCc1c[nH]c2ccccc12,CID1511712,,,,,,,,,,,,,,,0.0,,
Cc1cc(NC(=O)c2nn3cccnc3c2Cl)no1,CID1256890,,,,,,,,,,,,,,,0.0,,
Cc1cc(NC(=O)c2cc3ncc(Br)cn3n2)no1,CID1257160,0.0,,,,,,0.0,,0.0,,,,,,,0.0,
Cc1ccc(S(=O)(=O)N2CCN(c3cnn(C)c(=O)c3Cl)CC2)cc1,CID2992620,,,,,,,,,,,,,,0.0,,,
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cnn(C)c(=O)c3Cl)CC2)cc1,CID3161661,,,,,,,,,,,,,,,0.0,,
CCn1nnc(NC(=O)c2cccnc2)n1,CID666994,,0.0,0.0,0.0,,,,,,,,,0.0,,,0.0,
CCCn1nnc(NC(=O)c2cccnc2Cl)n1,CID714675,,,,,,,,,,,,,,,0.0,,
Cc1csc(Sc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2Cl)n1,CID666998,,0.0,,,,,,,0.0,,,,,,,,
Cc1cccc(Cn2c(Sc3nc(C)cs3)nc3c2c(=O)[nH]c(=O)n3C)c1,CID666708,0.0,0.0,,0.0,0.0,,,,0.0,,,,,,,0.0,
COC(=O)COc1nsnc1N1CCOCC1,CID666373,,,,,,,,0.0,,,,,,,,,0.0
O=C(O)COc1nsnc1N1CCOCC1,CID655998,,,,,,,,,,,,,,,,,0.0
N#Cc1cc2c(=O)n3ccccc3nc2n(CCCN2CCOCC2)c1=O,CID666375,,0.0,,,,,,,,,,,,,,0.0,
Cc1cccn2c(=O)c3cc(C#N)c(=O)n(CCCN4CCOCC4)c3nc12,CID667128,,,,,,,0.0,0.0,,,,,,,,,0.0
CCOCc1cnc(C)nc1NCC(=O)c1c(C)[nH]c2ccccc12,CID1914803,,,,,,,,,,,,,,,0.0,,
CCOCc1cnc(C)nc1NCC(=O)c1c(C)[nH]c2cc(C)ccc12,CID1606272,,,,,,,,,,,,,,0.0,,,
COc1ccc(CNC(=O)COc2ccc(C(=O)c3ccc(F)cc3)cc2)cc1,CID2565009,,,,,,,,,,,,,,0.0,,,
O=C(COc1ccc(C(=O)c2ccccc2)cc1)NCc1ccc(F)cc1,CID2592745,,,,,,,,,,,,,,,0.0,,
COc1ccc(-c2nc(CN3CCCC(C(=O)NC4CCCC4)C3)c(C)o2)cc1,CID9550963,,,,,,,,,,,0.0,,,,,,
Cc1cccc(-c2nc(CN3CCCC(C(=O)NC4CCCC4)C3)c(C)o2)c1,CID3243295,0.0,,,,,,,,,,,,,,,,0.0
CCOc1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1,CID648414,,,0.0,,,,0.0,,,,,,,,0.0,,
COc1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1,CID644455,,0.0,0.0,0.0,,,0.0,0.0,,,0.0,,,,,,
O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccco1,CID648412,,,,,,,,,0.0,,0.0,,0.0,,,0.0,0.0
O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(Br)o1,CID1104053,,,,,,,,,0.0,,0.0,0.0,,,,,
CC(=O)N1CCc2cc(S(=O)(=O)NC(C(=O)Nc3ccc4c(c3)OCCO4)C(C)C)ccc21,CID3238763,,,0.0,,0.0,,,,0.0,,0.0,,,,,,
CC(=O)N1CCc2cc(S(=O)(=O)NC(CC(C)C)C(=O)Nc3ccc4c(c3)OCCO4)ccc21,CID3241785,,,,0.0,0.0,,,,,,,,,0.0,0.0,,
CCn1cc(C(=O)N2CCN(C3CCCCC3)CC2)c2cc(OC)c(OC)cc2c1=O,CID3238765,0.0,,,,0.0,,,0.0,0.0,0.0,,,0.0,,,,0.0
COc1cc2c(C(=O)N3CCN(C4CCCCC4)CC3)cn(CC(C)C)c(=O)c2cc1OC,CID3242443,0.0,,,,0.0,,0.0,,,,,,,,,,
CC(C)(C)n1nc2c(c1NC(=O)c1ccc(Br)o1)CS(=O)C2,CID2160268,,,,,,,,,,,0.0,,,0.0,,0.0,
CC(C)(C)n1nc2c(c1NC(=O)c1ccco1)CS(=O)C2,CID3235964,,0.0,,,,,,,,,,,,,,,
Cc1ccc(Cl)cc1N1CCN(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC1,CID1247844,,,0.0,,0.0,,,,,,,,,,,0.0,
Cc1ccc(C)c(N2CCN(CC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC2)c1,CID1253329,,0.0,,,,,0.0,,0.0,,0.0,,,,,0.0,
CC12C(=O)N(c3nccs3)C(=O)C1C1C=CC2C1,CID2971870,,,,,,,0.0,,,,,,,,,,
O=C1C2C3C=CC(C3)C2C(=O)N1c1nccs1,CID251549,,,,,,,,,,,0.0,,0.0,,,,
Cn1cccc1/C=C1\SC(=S)N(NC(=O)c2cccc(Cl)c2)C1=O,CID1865793,,,,,,,,,,,,,,,0.0,,
Cn1cccc1/C=C1\SC(=S)N(NC(=O)c2ccccc2Cl)C1=O,CID2015170,,,,,,,,,,,,,,0.0,0.0,,
O=C(CSc1ccc(Cl)cc1)NCC1CCCO1,CID2899214,,,,,,,,,,0.0,,,,,,,
CC(Sc1ccc(Cl)cc1)C(=O)NCC1CCCO1,CID2899744,,,,,,,,,,,0.0,,,0.0,,,
O=C(c1ccccc1NS(=O)(=O)c1ccc(Br)s1)N1CCCC1,CID1305910,,,,,,,,,0.0,,0.0,,,,,,
O=C(c1ccccc1NS(=O)(=O)c1cccs1)N1CCCC1,CID650885,,,,,0.0,0.0,0.0,,0.0,,0.0,,0.0,0.0,0.0,,
O=C(CN1C(=O)COc2ccccc21)N(Cc1cccnc1)Cc1cccc(F)c1,CID655205,,,,,,,,,0.0,,,,,,,,
O=C(CN1C(=O)COc2ccccc21)N(Cc1cccnc1)Cc1ccccc1F,CID650865,,,,,,,,0.0,,,,,,,,,
CCOC1(NC(=O)c2ccccc2)C(C)=CC(=O)C=C1C,CID3239899,,,0.0,,,,,0.0,,,,0.0,,,,0.0,0.0
CCCOC1(NC(=O)c2ccccc2)C(C)=CC(=O)C=C1C,CID3240517,,,,,,0.0,,,,,0.0,,,,,,
O=C(O)c1ccc2c(c1)N(Cc1cccc(F)c1)C(=O)CS2,CID3339810,,,0.0,0.0,,0.0,,0.0,,,,,,,,,
O=C1CSc2ccccc2N1Cc1ccccc1F,CID3244415,,0.0,,,,,,,,,,,,,,,
CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(c3ccoc3)C2C1,CID1410254,,,,,,,,,,,,0.0,,,0.0,,
CC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(c3ccoc3)C2C1,CID658317,,0.0,,0.0,,,,,,,,,,,,,
CC(=O)c1c(O)n(C2CCCCCC2)c(=O)[nH]c1=O,CID663253,0.0,,,0.0,0.0,,,0.0,,,,,0.0,,,,
CCC(=O)c1c(O)n(C2CCCCCC2)c(=O)[nH]c1=O,CID662685,0.0,,,0.0,,,,,,,,,0.0,,,,
Cc1ccccc1CSc1nnc(-c2ccco2)n1Cc1ccco1,CID663251,,,0.0,,0.0,0.0,,,,,0.0,,,,,,
c1ccc(CSc2nnc(-c3ccco3)n2Cc2ccco2)cc1,CID662987,,,,,0.0,,,,,,,,0.0,,,0.0,
CCc1cc2cc(C(=O)Nc3ccc(C)cc3)sc2s1,CID902244,,,,,,,,,,0.0,,,,,,,
CCc1cc2cc(C(=O)Nc3ccccc3F)sc2s1,CID664493,,,,,0.0,,0.0,,,,,,0.0,,,,
CC(=O)NC1=NN(C(C)=O)C(c2sccc2C)S1,CID3273587,,,,,,0.0,,,,,,,,,,,
CC(=O)NC1=NN(C(C)=O)C(C)(c2cccs2)S1,CID2916332,,,,,,,,,,0.0,,,,,,,
COc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)c1cc(OC)c(OC)c(OC)c1,CID3236099,,,,,,,,,,,,0.0,,,,,
COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc(OC)c(OC)c2)c(OC)c1,CID3245228,,0.0,,,,,,,,,,,0.0,,,,
CC1CN(C(=O)c2cc3c(=O)n4ccccc4nc3s2)CC(C)O1,CID3236092,,,0.0,0.0,,,,0.0,,,,,,0.0,,,0.0
O=C(c1cc2c(=O)n3ccccc3nc2s1)N1CCOCC1,CID866577,,,0.0,0.0,,,,,,,,,,,,,0.0
CCOc1ccc(NC(=O)N2CCC(NC(=O)c3ccco3)CC2)cc1,CID651963,0.0,0.0,,0.0,,,,,0.0,,,,0.0,,,,
COc1ccc(NC(=O)N2CCC(NC(=O)c3ccco3)CC2)cc1,CID651346,0.0,,,,,,,,0.0,,,0.0,,,,,
Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)OC3CCOC3=O)cc12,CID2999178,,,,0.0,,,,,,,,0.0,,,,,
Cc1nn(-c2ccccc2)c2sc(C(=O)OC3CCOC3=O)cc12,CID2997891,,,,,,,0.0,,0.0,,,,0.0,,0.0,,
Cc1nnc(SCC(=O)Nc2ncc3c(n2)CC(C)(C)CC3=O)s1,CID1844484,,,,,,,,,,,0.0,,,,,,
Cc1nnc(SCC(=O)Nc2ncc3c(n2)CCCC3=O)s1,CID665464,0.0,0.0,,,,0.0,0.0,,,,,,,,,0.0,
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCCC3)C2)cc1,CID683045,0.0,0.0,,,0.0,,,0.0,,,,,,,,,
CC(C)C1N(C(=O)CN2CCCC2)CCN1S(=O)(=O)c1ccccc1,CID3238581,,,0.0,0.0,,,,0.0,,,,,,,,,
O=C(CCCn1c(=O)c2sccc2n(Cc2ccc(F)cc2)c1=O)NCc1ccco1,CID3242533,,,,,0.0,,,0.0,,,,,,,,,0.0
Cc1ccc(C)c(Cn2c(=O)n(CCCC(=O)NCc3ccco3)c(=O)c3sccc32)c1,CID9550085,,,,,,0.0,,,0.0,,,,,,,,
O=C(c1cnc2n(c1=O)CCS2)N1CCN(c2ccc(Cl)c(Cl)c2)CC1,CID3242531,0.0,,,0.0,,,0.0,,,,,,,,,,
O=C(c1cnc2n(c1=O)CCS2)N1CCN(c2ccccc2F)CC1,CID4423730,,,,,,,,,0.0,,,,,,,,
Fc1ccc2[nH]c3c(N4CCSCC4)ncnc3c2c1,CID659229,,,,,,,,,,,0.0,,,,,,
c1ccc2c(c1)[nH]c1c(N3CCSCC3)ncnc12,CID658667,,0.0,,0.0,,,,,,,0.0,,,,,,
Cc1ccc(CCNC(=O)C2CCC(=O)N2C2CCCC2)cc1,CID3241042,0.0,,,,,,,,,,,0.0,0.0,,,,
O=C(NCCc1ccc(Cl)cc1)C1CCC(=O)N1C1CCCC1,CID3241745,0.0,0.0,,0.0,,0.0,,,,,,,,,,0.0,0.0
Cc1nc(SCc2nnc(-c3ccc(Cl)cc3)o2)c2c3c(sc2n1)CCC3,CID2117428,,,,,0.0,,,,0.0,0.0,,,,,,,
COc1ccc(-c2nnc(CSc3ncnc4sc5c(c34)CCC5)o2)cc1OC,CID649092,0.0,,,0.0,0.0,,0.0,,,0.0,,,,,,,0.0
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)C2)cc1[N+](=O)[O-],CID2845053,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)C2C(C)C)cc1,CID3243698,,,,,0.0,,,0.0,,,,,,,,,
Cc1nc2ccccc2n1CC(=O)N/N=C/c1cccnc1,CID781480,,,,,,,,,,,,,,0.0,,,
O=C(Cn1cnc2ccccc21)N/N=C/c1cccnc1,CID760607,,,,,,,,,,,,,,0.0,,,
Cc1noc(C)c1C(=O)Nc1sc2c(c1C(N)=O)CCCCC2,CID1244240,,0.0,,,0.0,,0.0,,0.0,,,,,0.0,,0.0,
CCOC(=O)c1c(NC(=O)c2c(C)noc2C)sc2c1CCCCC2,CID4063911,,,,,,,,,,0.0,,,,,,,
COC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCCCC3)o2)C1=O,CID2177741,,,,,,,,,,,,,,,0.0,,
CCOC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCCCC3)o2)C1=O,CID2289625,,,,,,,,,,,,,,0.0,,,
COc1ccc(C2C3=C(N=C4N=CNN42)c2ccccc2CC3)cc1OC,CID5768441,,,,,,,,,,,0.0,,,,,,
COc1cc(C2C3=C(N=C4N=CNN42)c2ccccc2CC3)cc(OC)c1OC,CID5322374,,,,,,,,,,,,,0.0,,,0.0,
COc1cc(/C=N/Nc2nc3ccccc3[nH]2)cc(OC)c1OC,CID2877988,,,,,,0.0,,,,,,,,,,,
CC(=O)Nc1ccc(/C=N/Nc2nc3ccccc3[nH]2)cc1,CID4664005,,,,,,,,,,,,,,0.0,,,
O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccccc1)Nc1nccs1,CID2173119,,,,,,,,,,,,,,,0.0,,
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)Nc2nccs2)cc1,CID2360937,,,,,,,,,,,,,,,0.0,,
N/C(=N\c1nc(=O)c2c([nH]1)CCCC2)Nc1ccccc1,CID5586822,,,,,,,,,,,,,0.0,,,,
Cc1cccc(N/C(N)=N/c2nc(=O)c3c([nH]2)CCCC3)c1,CID5587097,,,0.0,,,,,0.0,0.0,,,,,0.0,,,
Cc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)o1,CID778438,,,,,,,,,,,,,,,0.0,,
Cc1ccc(/C=C/C(=O)NCc2ccco2)o1,CID873865,,,,,,,,,,,,,,,0.0,,
C=CCOC(=O)C1=CC(c2cn(C(C)=O)c3ccccc23)C(CCCO)C(OCC)O1,CID6671170,,,,,,,,,,,,,,,0.0,,
CC(=O)n1cc(C2C=C(C(=O)O)OC(OCCCCO)C2)c2ccccc21,CID6669643,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1nnn(CC(=O)NC(=O)Nc2ccc(F)cc2)c1C(=O)OCC,CID15988237,,,,,,,,,,,,,,,0.0,,
COC(=O)c1nnn(CC(=O)NC(=O)Nc2cccc(Cl)c2C)c1C(=O)OC,CID16193994,,,,,,,,,,,,,,,0.0,,
O=C1c2ccccc2S(=O)(=O)N1CCOc1ccccc1,CID2078615,,0.0,,0.0,,,,,0.0,,,0.0,,0.0,,0.0,
O=C1c2ccccc2S(=O)(=O)N1CCOc1ccc(F)cc1,CID2998994,,,0.0,0.0,,,0.0,,0.0,,,,,,,,
CCS(=O)(=O)N1CCN(C(C)CCc2ccccc2)CC1,CID2902684,0.0,,,0.0,,,0.0,0.0,0.0,,,,,,,,
CS(=O)(=O)N1CCN(CCCc2ccccc2)CC1,CID717259,,,,,,0.0,,,,,,,,,,,
CCOC(=O)CSc1nnc(Cn2nnc(-c3ccccc3)n2)n1CC,CID1096294,,,,,0.0,,0.0,,,,,,0.0,,,0.0,
CCOC(=O)CSc1nnc(Cn2nnc(-c3ccccc3)n2)n1C,CID1243721,,,,0.0,0.0,,,,,,0.0,,,,,0.0,
Cc1ccc(S(=O)(=O)NCc2nnc(SCC(=O)Nc3cccc(C)c3C)n2C)cc1,CID1441425,,,,,,,,,0.0,0.0,0.0,,,,,,
COC(=O)c1ccccc1NC(=O)CSc1nnc(CNS(=O)(=O)c2ccc(C)cc2)n1C,CID649216,,0.0,,0.0,0.0,,,,0.0,0.0,0.0,,,,,0.0,0.0
Cc1ccc2[nH]c(C)c(CN(C)C3CCN(C)CC3)c(=O)c2c1,CID696434,0.0,,,,,,,0.0,0.0,,0.0,,0.0,,,0.0,
Cc1ccc2c(=O)c(CN(C)C3CCN(C)CC3)c(C)[nH]c2c1C,CID661487,,,0.0,,,,0.0,,0.0,,,,,,,0.0,
CCCCN1CN(Cc2ccccc2)CNC1=S,CID1846514,,,,,,,,,,,,,,,0.0,,
CCN1CN(Cc2ccccc2)CNC1=S,CID686867,,,,,,,,,,,,,,,0.0,,
COc1ccc(OC)c(S(=O)(=O)NCc2cn3cccc(C)c3n2)c1,CID3244959,,,,,0.0,,,0.0,,,,0.0,,,,0.0,
O=S(=O)(NCc1cn2ccccc2n1)c1cc(F)ccc1F,CID3240132,,,,0.0,0.0,,,,,,,,,,,,0.0
Cc1nc2ncnn2c(C)c1CCC(=O)N1CCc2ccccc21,CID3244956,,0.0,,,,,,,,,,,,,,,
Cc1nc2nc(C)c(CCC(=O)N3CCc4ccccc43)c(C)n2n1,CID3240759,,0.0,0.0,,,,0.0,,,,,0.0,,,,0.0,
CC1=C(C(=O)OCCOc2ccccc2)C(c2ccc(C)o2)C2=C(CC(C)(C)CC2=O)N1,CID2872734,,,,0.0,,,0.0,0.0,,0.0,,0.0,,,,,
COC(=O)C1C(=O)C2=C(CC1C)NC(C)=C(C(=O)OCCOc1ccccc1)C2c1ccc(C)o1,CID3236686,,,0.0,,,,,,,,,,,,,,
NC1=C(c2nc(=O)c3ccccc3[nH]2)C(=O)CN1CCc1ccccc1,CID728145,0.0,,,,,,0.0,0.0,0.0,0.0,0.0,,,,0.0,0.0,
COc1ccc(CCN2CC(=O)C(c3nc(=O)c4ccccc4[nH]3)=C2N)cc1OC,CID1078112,0.0,,,,,,,,0.0,0.0,0.0,,,,,0.0,0.0
COc1ccccc1-c1csc(Cc2nnc3n2CCCCC3)n1,CID2374066,,,,,,0.0,,,,,0.0,,,,,,
COc1ccc(-c2csc(Cc3nnc4n3CCCCC4)n2)cc1,CID2354223,0.0,0.0,,,0.0,,,,,,,,,,,0.0,
Cn1nnnc1SCC(=O)NCCCc1ccccc1,CID2096429,,0.0,,,,,,0.0,,0.0,,,,,,0.0,
CC(CCc1ccccc1)NC(=O)CSc1nnnn1C,CID2999176,,0.0,0.0,,0.0,,0.0,,,0.0,0.0,,0.0,,,0.0,
COCCN(CCOC)C(=O)c1cc2c(=O)n3ccccc3nc2s1,CID2158355,,,,0.0,,,,0.0,,,,,,,,0.0,0.0
CCN(CC)C(=O)c1cc2c(=O)n3ccccc3nc2s1,CID866575,,,,,,,0.0,,,,,,,,,,
COc1cccc(N2CCN(C(=O)NC3CCCCC3)CC2)c1,CID895260,,,,,,,,,,,,,,,0.0,,0.0
COc1ccc(N2CCN(C(=O)NC3CCCCC3)CC2)cc1,CID757324,,,,,,,,,,,,,,,0.0,,
COc1ccc(CCN2C(=O)CC(NNC(=O)c3ccccc3Br)C2=O)cc1OC,CID4568787,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(C(=O)NNC2CC(=O)N(CCc3ccccc3)C2=O)cc1OC,CID4530786,,,,,,,,,,,,,,0.0,,,
CN(CCCC(=O)NCc1ccco1)S(=O)(=O)c1ccccc1,CID2216242,,,,0.0,,,,,,,0.0,,,,,0.0,
O=C(CCCNS(=O)(=O)c1ccccc1)NCc1ccco1,CID3245825,,,,0.0,0.0,,,,,,,,,,,0.0,
COC(=O)c1cccc(S(=O)(=O)N2CCN(c3nc4ccccc4s3)CC2)c1,CID646340,0.0,,0.0,,0.0,,,,0.0,0.0,,,,,,,0.0
O=S(=O)(c1ccccc1)N1CCN(c2nc3ccccc3s2)CC1,CID1484938,,,,,,,,,0.0,0.0,0.0,,,,0.0,,
CCc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CC(c4ccccc4)CC3=O)c2)s1,CID3913693,,,,,,,,,0.0,,,,,,,,
COc1ccc(C(=O)Nc2nncs2)cc1S(=O)(=O)N1CC(c2ccccc2)CC1=O,CID3480341,,,,,0.0,0.0,,,,,,,,,,0.0,
Cc1ccc(-c2noc(CCC(=O)N3CCCC3)n2)cc1,CID665543,0.0,,,0.0,,,0.0,,,,0.0,,,,,0.0,
O=C(CCc1nc(-c2ccccc2)no1)N1CCCC1,CID665520,,,,0.0,,,0.0,,,,,,0.0,,,,
COC(=O)/C=c1\s/c(=C(/C#N)C(=O)NCc2ccco2)n(-c2ccc(C)cc2)c1=O,CID665549,,,,0.0,0.0,,0.0,,,,0.0,,,,0.0,0.0,0.0
COC(=O)/C=c1\s/c(=C(/C#N)C(=O)NCc2ccco2)n(-c2ccccc2)c1=O,CID661637,,,,0.0,0.0,,0.0,0.0,,0.0,,,,,0.0,,
O=C(NCCC1=CCCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1,CID1092707,,,,,0.0,,,,,,,0.0,,,,,
O=C(NCCC1=CCCCC1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1,CID2349215,,0.0,,,,,,0.0,,0.0,,,,,,,
Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)OCC(=O)NCc1ccco1,CID2571609,0.0,,,,,,0.0,,,,,,0.0,,,,
Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCC(=O)NCc1ccco1,CID2080105,,,,,,0.0,,,0.0,0.0,,0.0,,,,,
Cn1c(=O)c2c(nc(CN3CCOCC3)n2CC(=O)c2ccccc2)n(C)c1=O,CID666815,,0.0,,,,,0.0,,,,,,,,,,
CC1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CC(=O)c2ccccc2)CC(C)O1,CID3239971,,,,,,,,,,,,0.0,,,,,
CCn1cc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21,CID3238889,,,,0.0,0.0,,,,,,,,,,,,0.0
O=C(NCc1ccc2c(c1)OCO2)c1c[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O,CID3239651,,,,,0.0,,,,,,0.0,,,,,,0.0
CCCn1c(SCc2ccon2)nc2ccccc2c1=O,CID2574187,,,,,,,,,,,0.0,,,,0.0,,
Cn1c(SCc2ccon2)nc2ccccc2c1=O,CID712010,,0.0,,0.0,,,0.0,,,,0.0,,,,,,
CCN1CCN(C(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)CC1,CID2956804,,0.0,0.0,0.0,0.0,,,,,,,,,,,,0.0
CN1CCN(C(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)CC1,CID1233877,,0.0,0.0,,0.0,,,,,,,,,,,,0.0
Cn1cc(C(=O)N2CCc3ccccc32)cn1,CID844673,,,,,,,,,,,,,,,0.0,,
Cc1c(C(=O)N2CCc3ccccc32)cnn1C,CID1225706,,,,,,,,,,,,,,,0.0,,
Nc1nc(-c2ccc(Cl)cc2)nn1C(=O)c1cccnc1,CID971718,0.0,0.0,0.0,,,,0.0,,,,,,,,,0.0,
Cc1ccc(-c2nc(N)n(C(=O)c3cccnc3)n2)cc1,CID2954636,0.0,0.0,,0.0,,,,,,,,0.0,,,,,0.0
Cc1csc(=N)n1-c1ccc(Cl)cc1,CID1537483,,0.0,,,,,,,,,,,0.0,0.0,,,
CCOC(=O)c1sc(=N)n(-c2ccc(OC)cc2)c1C,CID748847,0.0,,,,0.0,0.0,,,0.0,,,0.0,,,,,
COc1ccccc1CCNC(=O)c1ccoc1C,CID1246637,,,0.0,,,,0.0,,,0.0,0.0,,,,,0.0,
Cc1occc1C(=O)NCCc1ccc(Cl)cc1,CID1247532,,,,,,,,,,0.0,,,,,0.0,,
Cc1ccccc1-c1nc(CN2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)c(C)o1,CID5308114,,,,0.0,,,,,,,,,,,,,
CCOC(=O)C1CCCN(C(=O)C2CCN(Cc3nc(-c4ccc(Cl)cc4)oc3C)CC2)C1,CID3239313,0.0,,,,,,,,,0.0,,,,,,,
Cc1ccc(NC(=O)C(C)c2ccc(-c3ccccc3)c(F)c2)cc1,CID11841739,,,,,,,,,,,,0.0,,0.0,,,
CC(C(=O)Nc1ccccc1)c1ccc(-c2ccccc2)c(F)c1,CID11841732,,,,,,0.0,,,,,,,,,,,
COc1cc(/C=C2/SC(=S)N(CC(=O)Nc3cccc(C(=O)O)c3)C2=O)cc(OC)c1OC,CID1560848,,,,,,0.0,,,,,,,,,,,
O=C(CN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1cc([N+](=O)[O-])ccc1O,CID5341923,,,,,,0.0,,,,,,,,,,,
O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)NNC(=O)c1ccncc1,CID1382381,,,,,,,,,,,,,,0.0,,,
O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)NNC(=O)c1ccncc1,CID1365436,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NCCC(=O)c2cccs2)cc1,CID877310,,,,,,0.0,,,,,,,,,,,
Cc1ccc(NCCC(=O)c2cccs2)cc1Cl,CID878901,,,,,,,,,,,,,,0.0,,,
O=C1OC(c2ccccc2F)=N/C1=C\c1ccccc1[N+](=O)[O-],CID877317,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(/C=C2\N=C(c3ccccc3F)OC2=O)cc1,CID745516,,,,,,0.0,,,,,,,,,,,
NC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1Cc1ccco1,CID645673,,,0.0,0.0,0.0,,,,,,0.0,0.0,,,,,0.0
O=C(O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1Cc1ccco1,CID656201,,,,,0.0,0.0,,,,,0.0,,,,,,0.0
CC1(C)CC(=O)C2=C(C1)N(c1cccc(O)c1)C1=C(C2)C(=O)CC(C)(C)C1,CID658445,,0.0,,0.0,,,,0.0,,,,0.0,0.0,,,,0.0
COc1ccc(N2C3=C(CC4=C2CCCC4=O)C(=O)CCC3)cc1,CID1202611,,,,,,,,,0.0,,,,,0.0,,,
CNC(=O)c1cc2cc(OC)ccc2oc1=N,CID658446,,,,,,0.0,0.0,,,,,,,,,0.0,
C/N=c1\oc2ccc(Cl)cc2cc1C(N)=O,CID658552,0.0,,,0.0,,,0.0,,0.0,0.0,,,,,,0.0,0.0
Cc1ccc(S(=O)(=O)N(C)CC(=O)OCc2nnc(-c3ccccc3)o2)cc1,CID2089447,,,,0.0,,,,,,,0.0,,,,,0.0,0.0
Cc1ccc(S(=O)(=O)NCC(=O)OCc2nnc(-c3ccccc3)o2)cc1C,CID2561822,,,,,,,,,0.0,0.0,0.0,,,0.0,0.0,,
CSc1nc2ccc3nc(NC(=O)C4COc5ccccc5O4)sc3c2s1,CID4126857,,,,,,,,,,,,,,,0.0,,
Cc1nc2ccc3nc(NC(=O)C4COc5ccccc5O4)sc3c2s1,CID4347363,,0.0,,0.0,0.0,,,,,,,,,,,,
COc1ccc(NS(=O)(=O)c2cc(OC)ccc2NC(=O)c2cc(C)oc2C)cc1,CID2354135,,,,,0.0,,,,,,0.0,,0.0,,,0.0,0.0
COc1ccc(NS(=O)(=O)c2cc(C)ccc2NC(=O)c2cc(C)oc2C)cc1,CID2354389,,,,,0.0,,,0.0,,0.0,,,0.0,,,,0.0
CCOC(=O)c1c(N)sn(-c2ccccc2)c1=S,CID2346917,0.0,,,0.0,0.0,,0.0,,,,,,0.0,,,,
CCOC(=O)c1c(N)sn(-c2ccccc2C)c1=S,CID2354711,,,,0.0,,0.0,0.0,,,,,,,0.0,,,
Cc1cccc(-n2ncc3c(NCCc4ccc(S(N)(=O)=O)cc4)ncnc32)c1,CID4343614,,0.0,0.0,,0.0,,,0.0,,,,,0.0,,,,
c1ccc(CCNc2ncnc3c2cnn3-c2ccccc2)cc1,CID611207,,0.0,,,,,,,0.0,,,0.0,,,,,
Cc1cc2nc(C)n3c4ccccc4nc3n2n1,CID939745,,0.0,,0.0,,,,,,,,0.0,,,,,
CCc1nc2cc(C)nn2c2nc3ccccc3n12,CID947806,,0.0,0.0,,,,0.0,0.0,,,,0.0,,,,,
CCc1ccc(/C=C/C(=O)C2C(=O)c3ccccc3C2=O)cc1,CID867609,,,,,,,,,,,,,,0.0,,,
Cc1ccc(/C=C/C(=O)C2C(=O)c3ccccc3C2=O)cc1,CID867712,,,,,,0.0,,,,,,,,0.0,,,
Cc1c(NC(=O)c2cc(-n3cnnc3)ccc2Cl)cccc1-c1nc2ccccc2o1,CID1017696,0.0,,0.0,0.0,0.0,,,,0.0,,,,,,,,
Cc1ccc2oc(-c3cccc(NC(=O)c4cc(-n5cnnc5)ccc4Cl)c3)nc2c1,CID1017704,,,,,,,,,,,,0.0,,,,,
COC(=O)c1ccc(C(=O)OC)c(-n2c(=O)c3ccccc3c3ccccc3c2=O)c1,CID2151869,,,,,,,,,,,,,,,0.0,,
COc1ccc(OC)c(-n2c(=O)c3ccccc3c3ccccc3c2=O)c1,CID2892892,,,,,,,,,,,,,,,0.0,,
S=c1[nH]nc(-c2ccncc2)n1Cc1ccccc1,CID736520,,0.0,,,,0.0,,0.0,,0.0,0.0,,,,,0.0,
CC(c1ccccc1)n1c(-c2ccncc2)n[nH]c1=S,CID2945965,,,,,,,,,,,0.0,,,,,0.0,
COCCn1c(=O)c2c3c(sc2n(CC(N)=O)c1=O)CCCC3,CID2219624,,,,,,,,,,,,,,,,0.0,
CCn1c(=O)n(CCOC)c(=O)c2c3c(sc21)CCCC3,CID2219623,,,,0.0,,,,,,,,,,,,,
CCCc1[nH]nc2c1C(c1ccc(OC)c(Cn3nc(C)c(Br)c3C)c1)C(C#N)=C(N)O2,CID2952826,0.0,,,,,,0.0,,,,,,,,,,0.0
COc1ccc(C2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1Cn1cc([N+](=O)[O-])cn1,CID3572890,,,,,,,,,,,,0.0,,,,,
Cc1cc(SCC(=O)c2ccccc2)nc(SCC(=O)c2ccccc2)n1,CID1132108,,,,,,,,,0.0,,0.0,,,0.0,,,
Cc1ccc(C(=O)CSc2cc(C)nc(SCC(=O)c3ccccc3)n2)cc1,CID1374630,,,,,,,,,,0.0,0.0,,,0.0,,,
O=C(c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1)N1CCCCCC1,CID5307262,0.0,,,,,,,,,,,,,,,,
Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCCCCC3)o2)cc1,CID5309124,,,,,,,0.0,,,0.0,,0.0,,,,,
Cc1onc(-c2ccccc2)c1C(=O)NCC1COc2ccccc2O1,CID2815568,,,,,,,,,0.0,,,,,0.0,,,
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCC1COc2ccccc2O1,CID2873224,,,,,,,,,,,,,0.0,,,0.0,0.0
O=C(NCC1COc2ccccc2O1)c1ccco1,CID2815569,,0.0,,,,,,0.0,,,,,0.0,,,0.0,
CCc1ccc(C(=O)NCC2COc3ccccc3O2)o1,CID2904517,,,,0.0,,,,,0.0,0.0,,,,,,,
Cn1c(Cc2cccs2)nnc1SC/C=C/c1ccccc1,CID2218971,0.0,,0.0,,0.0,,0.0,,,,0.0,,0.0,0.0,,,
C=CCn1c(Cc2cccs2)nnc1SC/C=C/c1ccccc1,CID1830598,,,,,,,,,,0.0,,,,,,,
O=C(CSc1nnc(Cc2cccs2)n1-c1ccccc1)Nc1ccc2c(c1)OCCO2,CID2218973,,,0.0,,,,,,,,0.0,,,0.0,,,
COc1ccc(-n2c(Cc3cccs3)nnc2SCC(=O)Nc2ccc3c(c2)OCCO3)cc1,CID665989,,,,0.0,,0.0,,,,0.0,0.0,,,,,,
CC1(C(=O)N2CCN(c3ccccc3)CC2)CC1(Cl)Cl,CID2970784,,,,,,,,,,,,,,,0.0,,
CC1(C)C(C=C(Cl)Cl)C1C(=O)N1CCN(c2ccccc2)CC1,CID2940132,0.0,,,,,,,,,,,,,,,,
N#CC1=C(N)Oc2n[nH]c(-c3cccs3)c2C1c1cccs1,CID3245554,,,,,0.0,,,,,,0.0,,,,,,
Cc1ccc(C2C(C#N)=C(N)Oc3n[nH]c(-c4cccs4)c32)s1,CID655014,,,,,0.0,0.0,,,,0.0,,,,,,,
O=C(NCC1CCCO1)c1cccc(N2CCCC2=O)c1,CID3245557,,,,0.0,,,,,,,,,,,,,
Cc1ccc(C(=O)NCC2CCCO2)cc1N1CCCC1=O,CID3242801,,,0.0,,,,,0.0,0.0,,,,,,,,
Cc1ccc(Cn2nnc3c(=O)n(CC(=O)OCc4ccccc4)cnc32)cc1,CID3245553,0.0,,,,,,,,,,,,,,,,0.0
O=C(Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O)OCc1ccccc1,CID3239874,0.0,,,,,,,,,,,,,,,,
Cc1cc(C)c(C#N)c(SCCS(=O)(=O)Cc2ccccc2)n1,CID893857,,,0.0,,,,0.0,,0.0,,0.0,,,0.0,0.0,,0.0
Cc1cc(C)c(C#N)c(SCCS(=O)(=O)Cc2ccc(Cl)cc2)n1,CID1160042,,,,,,,,,0.0,,,,,0.0,0.0,,
CCN(CC)C(=O)C1CCCN(Cc2ccc3c(c2)OCO3)C1,CID2838550,,,,,,0.0,,,,0.0,,,,,0.0,,
CCOC(=O)C1CCCN(Cc2ccc3c(c2)OCO3)C1,CID2838546,,,,,,,,,,,,,,,,,0.0
Cc1sc2nc(-c3ccccc3)oc(=O)c2c1C,CID569471,,,,,,,,,,,,,,0.0,,,
Cc1cccc(-c2nc3sc(C)cc3c(=O)o2)c1,CID950065,,,,,,,,,,,,,,0.0,0.0,,
Cc1cccc(NC(=O)c2c(O)n3c4c(cccc4c2=O)CC3)c1,CID758889,,,,,,,,,0.0,,,,,,,,
Cc1ccccc1NC(=O)c1c(O)n2c3c(cccc3c1=O)CC2,CID652941,0.0,,0.0,0.0,,0.0,0.0,,0.0,0.0,,,,,,,
Cc1ccc(/C=N/Nc2cn[nH]c(=O)n2)o1,CID2789183,,,,,,,,,,,,,,0.0,0.0,,
Cc1n[nH]c(=O)nc1N/N=C/c1ccco1,CID2789413,,,,,,,,,,,,,,0.0,,,
O=C1CC(c2ccccc2)Cc2nc(N3CCc4ccccc4C3)ncc21,CID4602970,,,,,,0.0,,,,,,,,,,,
CC(C)c1ccc(C2CC(=O)c3cnc(N4CCc5ccccc5C4)nc3C2)cc1,CID3548231,,,,,,0.0,,,,,,,,,0.0,,
Cc1ccsc1C1NC(=O)c2c(sc3c2CCCC3)N1,CID658850,,,,,,,0.0,,,,,,,,,,
O=C1NC(c2cccs2)Nc2sc3c(c21)CCCC3,CID656135,,0.0,,,,,,,,0.0,,,,,,,
CCOC(=O)c1c(C)oc2ccc(O)c(CN3CCCCC3)c12,CID658854,0.0,,,0.0,0.0,,,0.0,,,0.0,0.0,0.0,,,0.0,0.0
COCCOC(=O)c1c(C)oc2ccc(O)c(CN3CCC(C)CC3)c12,CID663846,0.0,,,,0.0,,0.0,0.0,0.0,,,,,0.0,,0.0,
c1cncc(-c2nc(-c3cccs3)cs2)c1,CID2348844,,,,,0.0,0.0,0.0,,0.0,,,,0.0,,,,
Clc1ccsc1-c1csc(-c2cccnc2)n1,CID1488442,,,,,,,,,0.0,,,,,0.0,,,
CCCc1ccc(C(=O)Cn2nc(C(=O)O)c3ccccc3c2=O)cc1,CID4965954,,,,,,,,,,,,,,0.0,,,
CCC(=O)Nc1ccc(C(=O)Cn2nc(C(=O)O)c3ccccc3c2=O)cc1,CID2533120,,,,,,,,,,,,,0.0,,,,
Cc1cccc(C(=O)NCCc2nnc(SCC(=O)Nc3nc(C)cs3)n2C)c1,CID2213039,,,,,,0.0,,,,0.0,,,,,,,
C=CCn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1nc(C)cs1,CID2304291,,0.0,,,0.0,,0.0,,0.0,,,,,,,0.0,0.0
CCn1c(SCC(=O)c2cccs2)nnc1-c1cccs1,CID2586512,,,,,0.0,,,,0.0,,,,,0.0,,,
CCn1c(SCC(=O)c2ccc(Cl)s2)nnc1-c1cccs1,CID2096424,,,,,0.0,,,,0.0,,,,,,,,
Cc1ccc2nsnc2c1S(=O)(=O)NCCc1c(C)[nH]c2ccc(F)cc12,CID1504392,,,,,,,,,,0.0,,,,,,,
O=C(O)C(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cccc2nsnc12,CID660261,,0.0,0.0,,0.0,,0.0,,,,,,,,,0.0,
Cc1ccc(C(=O)NCCSc2ccc(Cl)cc2)cc1S(=O)(=O)Nc1ccccc1,CID2229425,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCSc3ccc(C)cc3)ccc2C)cc1,CID2231570,,,,,,0.0,,,,,,,,,,,
Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc2c(c1)OCCO2,CID866899,,0.0,,0.0,,,,,0.0,,,0.0,,,,,
Cc1c(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cnn1C,CID1511735,,,,,,,,,,,,,,,0.0,,
CCN(Cc1ccncc1)C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1,CID2355893,,,,,,0.0,,,,,,,,,,0.0,0.0
O=C(NCc1ccncc1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1,CID647664,,,0.0,,0.0,,,,0.0,,0.0,0.0,,,,,0.0
c1ccc2c(c1)[nH]c1c(NCC3CCCO3)ncnc12,CID664966,,0.0,0.0,,,,,0.0,,,,0.0,,,,0.0,
Clc1ccc2[nH]c3c(NCC4CCCO4)ncnc3c2c1,CID664614,0.0,0.0,,,,,0.0,,,,,,,,,0.0,0.0
Cc1c(Cc2ccccc2)c(=O)oc2cc(OCc3nn[nH]n3)ccc12,CID664963,,,,0.0,,0.0,0.0,0.0,,,,0.0,,,,,
Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(OCc3nn[nH]n3)ccc12,CID665417,0.0,0.0,,,,,,,,,,,,,,,
O=C(c1noc2c1CCc1ccccc1-2)N1CCc2ccccc2C1,CID3240834,0.0,,,,0.0,,,,,,,,,,,,
COc1ccc2c(c1)CCc1c(C(=O)N3CCc4ccccc4C3)noc1-2,CID3238703,0.0,,,,,,,0.0,0.0,,0.0,,,,,,
Cc1csc(NC(=O)CCn2c(=O)oc3ccccc32)n1,CID3240832,0.0,,,0.0,,,,,0.0,0.0,,0.0,,,,0.0,
O=C(CCn1c(=O)oc2ccccc21)Nc1nccs1,CID3243649,0.0,,,,,,,,,,,,0.0,,,,
Cc1ccc(C(=O)NCCn2c(N)c(C#N)c3nc4ccccc4nc32)cc1,CID1880216,,,,,,,,,,,,,,,0.0,,
N#Cc1c(N)n(CCNC(=O)c2ccccc2)c2nc3ccccc3nc12,CID1868776,,,,,,,,,,,,,,0.0,,,
COc1ncccc1-c1nnn(-c2ccc(Cl)c(Cl)c2)n1,CID16066624,,,,,,,,,,,,,,0.0,,,
Fc1ccc(-n2nnc(-c3cccnc3Cl)n2)cc1,CID16066526,,,,,,,,,,,,,,,0.0,,
Cc1ccc(S(=O)(=O)NCCn2c(C)cc3ccccc32)cc1,CID3245920,0.0,,,0.0,0.0,,,,,,,,,,,,
O=S(=O)(NCCn1ccc2ccccc21)c1ccccc1,CID4230785,,,,,,,,,,,,0.0,,,,,
CCC(NS(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O)C12CC3CC(CC(C3)C1)C2,CID3245922,,,,,,,,0.0,,,,,,,,,0.0
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)NCC12CC3CC(CC(C3)C1)C2,CID3243643,,,,0.0,,,0.0,0.0,,,,,,,,0.0,
C=CCn1c(-c2ccc(Cl)cc2)c[nH]c1=S,CID2106915,,,,,,,,,,,,,,,,,0.0
C=CCn1c(-c2ccccc2)c[nH]c1=S,CID856143,,,,0.0,0.0,,,,,,,,0.0,,,,0.0
O=C(CSc1nnc(CNC(=O)c2ccco2)o1)c1ccc(Cl)cc1,CID3245929,,0.0,,,0.0,,,,,,,,,,,,
O=C(CSc1nnc(CNC(=O)c2ccco2)o1)c1ccccc1,CID3243940,,,,,,,,,,,0.0,,,,,,
CC(c1ccccc1)N1C(=O)CC(Sc2ncccc2C(=O)O)C1=O,CID2976313,,,,,,,,,,,,,,,,,0.0
O=C(O)c1cccnc1SC1CC(=O)N(Cc2ccccc2)C1=O,CID2879387,,,,,,,,0.0,,,,,,,,,
O=C(O)c1ccc2c(c1)C1C=CCC1C(c1ccccn1)N2,CID1203912,,,,,0.0,,,0.0,,,,,0.0,,,,
O=C(O)c1ccc(Cl)c2c1C1C=CCC1C(c1ccccn1)N2,CID3154407,0.0,,0.0,,,,,,,,,,,,,,0.0
CC/C(C)=C1\SC(N2CCOCC2)=NC1=O,CID883289,,,,,,,,,,0.0,,,,,,,
CC(C)=C1SC(N2CCOCC2)=NC1=O,CID919748,,,,,,,,,,,0.0,,,,,,
CCOC(=O)CSc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)s1,CID2975858,,,,,,,,,0.0,,,0.0,,,,,
Cc1nnc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)s1,CID1293763,,0.0,0.0,0.0,0.0,,,,0.0,0.0,0.0,,0.0,,,,0.0
CCOc1ncccc1C(=O)OCc1ccc(C(=O)OC)o1,CID2103679,,,0.0,,,,0.0,,,,,,,0.0,,,
COC(=O)c1cc(COC(=O)c2cccnc2SC)oc1C,CID2096951,,,,,,0.0,,,0.0,0.0,,,,,0.0,0.0,
O=C(c1cccs1)n1nc(-c2ccc(Cl)cc2)nc1NCc1ccco1,CID2209040,,,,,,,,,,,,0.0,,,,,
O=C(c1cccs1)n1nc(-c2ccccc2)nc1NCc1ccco1,CID2204898,0.0,,,,0.0,,,0.0,,,,,,,,,
Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2cccn2-c2cccc(C(=O)O)c2)C1=O,CID11839291,,,,,,0.0,,,,,,0.0,,,,,
Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2cccn2-c2cccc(C(=O)O)c2)C1=O,CID11839289,,,,,,,,,,,,0.0,,,,,
CCNC(=O)N1C(CC(=O)OCC)C(=O)NC2CCCCC21,CID2969387,,0.0,,,,,,,,0.0,,,,,,,0.0
COC(=O)CC1NC2CCCCC2NC1=O,CID2950726,,,,,,,,0.0,,0.0,,,,,,,0.0
COc1ccc(Oc2nccc(-c3ccccc3)c2C#N)cc1,CID1487474,,,,,,,,,,,,0.0,,0.0,,,
N#Cc1c(-c2ccccc2)ccnc1Oc1ccccc1,CID1488776,,,,,,,,,,,,0.0,,,0.0,,
COc1ccccc1N1C(=O)c2ccccc2NC1c1ccncc1,CID654405,,0.0,0.0,,,,,,,,0.0,,,,,0.0,
Cc1ccccc1N1C(=O)c2ccccc2NC1c1ccncc1,CID3150906,,,,,,,,,,,,0.0,,,,,
O=C(Nc1ccc2c(c1)OCCO2)c1cccc(S(=O)(=O)N2CCCCC2)c1,CID1262699,,,,,,,,,,,0.0,,,,,,
O=C(Nc1ccc2c(c1)OCCO2)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1,CID2082421,,,,,,,,,,,,0.0,,,,,
Cc1ccc(NC(=O)COc2ccccc2)c(NC(=O)c2ccccc2C)c1,CID1293428,,,,,,,,,,,,0.0,,,,,
CC(=O)Oc1ccc(C(=O)Nc2cc(C)ccc2NC(=O)COc2ccccc2)cc1,CID1301623,,,,,,0.0,,,,,,,,,,,
Cc1ccn2c(NC(=O)c3ccccc3)c(-c3cccs3)nc2c1,CID843190,,,,,,0.0,,,,,,,,,,,
Cc1ccc2nc(-c3cccs3)c(NC(=O)c3ccc(Cl)cc3)n2c1,CID979726,,,,,,0.0,,,,,,,,,,,
C=CCn1c(SCC(=O)N2CC(=O)Nc3ccccc32)nc2scc(-c3cccs3)c2c1=O,CID2566942,,,,,0.0,,0.0,,0.0,,,0.0,,,,,
CC(C)CCn1c(SCC(=O)N2CC(=O)Nc3ccccc32)nc2scc(-c3cccs3)c2c1=O,CID2566842,,,,,,,,,,,0.0,,,,,,
Cn1c(N)c(C(=O)CSc2nc3ccccc3n2-c2ccccc2)c(=O)n(C)c1=O,CID2998696,,0.0,,0.0,0.0,,,0.0,,,,,,,,,
COc1ccc(-n2c(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)nc3ccccc32)cc1,CID2999190,,,,0.0,0.0,,,,,,0.0,,,,,,
CC1CCCN(c2ccc(C(=O)NCC3CCCO3)cn2)C1,CID644480,,,,,0.0,,,,,,,,0.0,,,,
O=C(NCC1CCCO1)c1ccc(N2CCCCC2)nc1,CID649988,0.0,,,0.0,,,,,,,0.0,,,,0.0,,
O=C(Nc1ccccc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1,CID2895900,0.0,,,,0.0,0.0,,,,,,0.0,,,,,
O=C(Nc1ccc(F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1,CID2896073,,,,,,,,,,,,0.0,,,,,
Cn1c(=O)cc(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)c2ccccc21,CID3236948,,,,,,,,,,,,,,,0.0,0.0,
CCn1c(=O)cc(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)c2ccccc21,CID3239551,,,,,0.0,,,,,,0.0,,,,,0.0,0.0
Cc1ccc(NC(=O)CC(NCCN2CCOCC2)C(=O)O)cc1Cl,CID3236944,,,,,,,,,,,,,,,0.0,,
O=C(CC(NCCN1CCOCC1)C(=O)O)Nc1cccc(Cl)c1,CID3239384,,,,,,,,,0.0,,,,,,,,
CC(=O)c1c(C)[nH]c(C(=O)NC2CCCCC2)c1C,CID3241255,0.0,,,0.0,0.0,,,0.0,,,,,,,,,0.0
CCc1c(C(=O)NC2CCCCC2)[nH]c(C)c1C(C)=O,CID3244637,0.0,,,,0.0,,,0.0,,,,,,,,,
COC1=C/C(=C/NNC(=O)C(C)n2nnc3ccccc32)C=CC1=O,CID6028340,,,,,,,,,,,,,,,0.0,,
CCOC1=C/C(=C/NNC(=O)Cn2nnc3ccccc32)C=CC1=O,CID5726185,,,,,,,,,,,,,,,0.0,,
COC(=O)c1ccc(C(=O)OCCCc2nc3ccc(N)cc3[nH]2)cc1,CID3108027,,,,,,,,,0.0,,,,,,,,
Nc1ccc(C(=O)OCCCc2nc3ccccc3[nH]2)cc1,CID651225,0.0,,,0.0,,0.0,0.0,,,,,,,,,0.0,
CC(C)N(C(=O)CSc1nn2c(=O)c(C(C)(C)C)nnc2s1)c1ccccc1,CID659611,0.0,0.0,0.0,,,,0.0,,,0.0,0.0,,0.0,,,,0.0
Cc1nnc2sc(SCC(=O)Nc3ccc(Br)cc3)nn2c1=O,CID16187108,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1OCC(O)Cn1c(NCc2ccco2)nc2c1c(=O)[nH]c(=O)n2C,CID651463,,,0.0,,,,,,,,,,0.0,,,,
Cc1ccccc1OCC(O)Cn1c(NCc2ccco2)nc2c1c(=O)n(C)c(=O)n2C,CID653206,,,,,,,,0.0,,,,,,,,,
CC(C)C(NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NCCc1ccccn1,CID2997776,,0.0,0.0,,0.0,0.0,0.0,,0.0,,,,0.0,,,0.0,0.0
CSCCC(NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NCCc1ccccn1,CID2999965,,,,0.0,0.0,,0.0,,,0.0,,,,,,0.0,
CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)C(C)Sc1nnnn1C,CID2997773,0.0,,,,0.0,0.0,,,0.0,,,0.0,,,,,
CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CSc1nnnn1C,CID2630181,0.0,,0.0,,0.0,0.0,0.0,,,,0.0,,,,,,
CCc1ccc2c(CN3CCc4ccccc43)cc(=O)oc2c1,CID2088448,,0.0,0.0,,,,,,,,0.0,,,,,,
Cc1cc2oc(=O)cc(CN3CCc4ccccc43)c2cc1Cl,CID2161858,,0.0,0.0,,,,0.0,,,,,,0.0,,,0.0,
COc1ccc(N2CCN(c3nc4ccccc4n3CC(=O)c3ccccc3)CC2)cc1,CID2998012,,,,,,,,,,,0.0,,0.0,,0.0,,
O=C(Cn1c(N2CCN(c3ccccc3)CC2)nc2ccccc21)c1ccccc1,CID2997777,,0.0,,,,,,,,,,,0.0,,,,0.0
COc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2nc(=O)c3ccccc3[nH]2)cc1,CID650737,,0.0,,,0.0,,0.0,0.0,,0.0,0.0,,,,,,
COc1ccccc1CN(Cc1nc(=O)c2ccccc2[nH]1)S(=O)(=O)c1ccc(C)cc1,CID3213372,,,,,,,,,,0.0,,,,,,,
Cc1nc(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)n[nH]1,CID650734,,,,,0.0,,,,,0.0,0.0,,,,,0.0,
CCc1nc(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)n[nH]1,CID665337,,,,0.0,0.0,0.0,,,,0.0,,,0.0,,,0.0,
Cc1nn2c(N)csc2nc1=O,CID648831,,,,,,,,,,,,,0.0,,,,
CC(=O)c1sc2nc(=O)c(C)nn2c1C,CID652667,,0.0,,,,,,,,,,,,,0.0,,
NC(=O)C1CCN(c2ncnc3c(-c4ccccc4)nsc23)CC1,CID648835,,0.0,,,,,0.0,,,,,,,,,0.0,0.0
Cc1ccc(-c2nsc3c(N4CCC(C(N)=O)CC4)ncnc23)cc1,CID650679,,0.0,,0.0,,,,,,0.0,0.0,,0.0,,0.0,,
O=C(COC(=O)c1cncc(Br)c1)NCc1ccco1,CID2352626,,,,,,,0.0,,,,,0.0,,,,,0.0
O=C(COC(=O)c1cccnc1Cl)NCc1ccco1,CID2362869,,,,,,,,,,,,,,0.0,,,
Cc1sc(NC(=O)c2ccco2)c(C(Nc2ccccn2)c2ccccc2)c1C,CID4089972,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(Nc2ccccn2)c2c(NC(=O)c3ccco3)sc(C)c2C)cc1OC,CID4066077,,,,,,,,,,,,,,0.0,,,
Cc1ccnc(NC(=O)CCc2c(C)nc3ncnn3c2C)c1,CID3238306,,0.0,,,,,,,,,,,,,,,
Cc1ccc(NC(=O)CCc2c(C)nc3ncnn3c2C)nc1,CID3241346,,,,,,,,,,,0.0,,,,,0.0,
O=C(CCCn1c(SCC(=O)c2ccccc2)nc2ccccc2c1=O)NCC1CCCO1,CID9551127,,,,,,,,,,0.0,,,,,,,
O=C(CCCn1c(SCC(=O)c2ccc(O)c(O)c2)nc2ccccc2c1=O)NCC1CCCO1,CID3239220,,,0.0,,1.0,,,0.0,,,,,,,,,
C=CCN1C(=S)NN/C1=C1\C=Nc2ccccc21,CID5389222,,,,,,,,,,,,0.0,,,,,
CCN1C(=S)NN/C1=C1\C=Nc2ccccc21,CID5741316,,,,,,,0.0,,,,,,,,0.0,,
COC(=O)c1nn(-c2ccc3c(c2)CCN3C(C)=O)cc1O,CID705951,,,,,,,,,0.0,,,,,,,,
CCOC(=O)c1nn(-c2ccc3c(c2)CCN3C(C)=O)cc1O,CID705920,,,0.0,,,,,,0.0,0.0,,,0.0,,,,
COc1ccc(CCNC(=O)Cn2cnc3c(cnn3C(C)(C)C)c2=O)cc1OC,CID3237686,0.0,,,,,,,,,,,,,,,,
CC(C)(C)n1ncc2c(=O)n(CC(=O)NCCc3ccccc3)cnc21,CID3239367,,0.0,,0.0,,,,,,,,,,,,,
CCc1ccccc1NC(=O)CN1C(=O)C2CCCN2c2ncc(Cl)cc21,CID3237683,0.0,0.0,0.0,,,,,,,,,,0.0,,,,0.0
COC(=O)c1ccccc1NC(=O)CN1C(=O)C2CCCN2c2ncc(Cl)cc21,CID3242856,,,,0.0,,,,,,,,,,,,,
CCOC(=O)CC(=O)NC1(Cc2ccc(O)cc2)CCCCC1,CID738089,,,,,,,,,,,,,,,0.0,,
CCN(CC)CCCOC(=O)C(O)(c1ccccc1)C1CCCCC1,CID2848319,,,,,,,,,,,,,,0.0,,,
COc1cccc(-n2nc3c(=S)[nH]nc(C)c3c2C)c1,CID1234244,,,,,,0.0,,,,,,,,,,,
Cc1n[nH]c(=S)c2nn(-c3ccccc3)c(C)c12,CID1234247,,,,,,0.0,,,,,,,,,,,
CCN(CCO)c1ncnc2c1sc1nc(C(C)C)c3c(c12)CC(C)(C)OC3,CID3411886,,,,,,0.0,,,,,,,,,,,
CCN(CCO)c1ncnc2c1sc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3,CID3764964,,,,,,,,,,,,0.0,,,,,
CCn1c(=O)cc(OCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc21,CID3245450,,,,0.0,,0.0,,,,,,,,,,,
Cn1c(=O)cc(OCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc21,CID3244175,,,,,,,,0.0,,,,,,,,,
O=C(CCCn1ncn2c(cc3occc32)c1=O)N1CCc2ccccc2C1,CID3244502,0.0,,,,,,,,,0.0,,,,,,,0.0
CCc1nn(CCCC(=O)N2CCc3ccccc3C2)c(=O)c2cc3occc3n12,CID3245317,0.0,,,,,,,,,,,,,,,,
CSc1ccc(S(=O)(=O)Nc2ccc3c4c(cccc24)CC3)cc1,CID1328961,,,,,,0.0,,,,,,,,,,,
Cc1cc(C)c(S(=O)(=O)Nc2ccc3c4c(cccc24)CC3)c(C)c1,CID1290765,,,,,,0.0,,,,,,,,,,,
O=C(c1ccc(F)cc1)N1CCCCC(Sc2nnnn2-c2ccccc2)C1=O,CID2909103,,,,,,,,,,0.0,,,,,0.0,,
O=C(c1ccccc1)N1CCCCC(Sc2nnnn2-c2ccccc2)C1=O,CID2998970,0.0,0.0,,,0.0,,,,,,0.0,,,0.0,,,
O=C1C(Nc2ccccc2)=C/C(=N\S(=O)(=O)c2cccs2)c2ccccc21,CID2362025,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC2=C/C(=N\S(=O)(=O)c3cccs3)c3ccccc3C2=O)c(C)c1,CID9549688,,,,,,,,,,,0.0,,,,,,
O=C(COC(=O)c1ccccc1OCc1ccccc1Cl)NC1CC1,CID2102834,,,,,,,,,,,0.0,,,,,,
O=C(COC(=O)c1ccccc1OCc1ccc(Cl)cc1)NC1CC1,CID2100040,,,,,,,,,,,0.0,,,,,,
Cc1ccc2nc(NC(=O)CN(C)S(=O)(=O)c3cccc4nsnc34)sc2c1,CID3240354,,,,,,,,,0.0,,,0.0,,,,,
Cc1ccc2nc(NC(=O)C(NS(=O)(=O)c3cccc4nsnc34)C(C)C)sc2c1,CID9551387,,,,,,,,,,,0.0,,,,,,
CCOC1=CC(=O)/C(=C2\NC(N)=NC=C2c2ccccc2)C=C1,CID5390022,,,,,,,,0.0,,,,,,,,0.0,0.0
CCOC1=CC(=O)/C(=C2\NC=NC=C2c2ccc(OC)cc2)C=C1,CID5389971,,,0.0,,,,0.0,,,0.0,,,,,,,
COc1ccc2cc(S(=O)(=O)N3CCCCCC3)ccc2c1,CID839419,,,,,,,,,,,,,,0.0,,,
O=S(=O)(c1ccc2ccccc2c1)N1CCCCCC1,CID2791622,,,,,,,,,,,,,,,0.0,,
CC1=NC2=NC3=C(C(=O)CC(c4ccco4)C3)C(c3ccccc3)N2N1,CID5390020,,,,,,,,,,0.0,,,0.0,,,,
O=C1CC(c2ccco2)CC2=C1C(c1ccccc1)N1NC(C(F)(F)F)=NC1=N2,CID5741852,,,,,,,,,,0.0,,,,,,,
O=C(CCN1C(=O)COc2ccccc21)NCCN1CCOCC1,CID3240979,,0.0,,,,,,,,,,,,,,,
Cc1ccc2c(c1)N(CCC(=O)NCCN1CCOCC1)C(=O)CO2,CID3238234,,0.0,,,,,,0.0,,,,,0.0,,,,
CCOC(=O)C1CCN(C(=O)c2oc3ccc(S(=O)(=O)N4CC(C)CC(C)C4)cc3c2C)CC1,CID3240973,,,,,,,,,,,0.0,,,,,,
Cc1c(C(=O)N2CCCCC2)oc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc12,CID3241456,,,,,0.0,,,0.0,,,,,,,,,
O=C1CC(c2ccc(F)cc2)Cc2nc(NCc3ccco3)ncc21,CID665134,,,,0.0,,,,,,0.0,,0.0,,,,,
O=C1CC(c2ccccc2)Cc2nc(NCc3ccco3)ncc21,CID2958276,0.0,,0.0,,0.0,,0.0,,,,0.0,,,,,,
COc1ccccc1C(=O)NC(=S)N1CCc2ccccc21,CID952256,,,,,,,,,,,,,,0.0,,,
O=C(NC(=S)N1CCc2ccccc21)c1ccccc1Br,CID1014342,,,,,,,,,,,,,,0.0,,,
CN(C)c1ccc(/C=c2\sc3n(c2=O)CCCN=3)cc1,CID665139,,,,0.0,,,0.0,0.0,,,,,,,0.0,,
O=c1/c(=C/c2ccc([N+](=O)[O-])cc2)sc2n1CCCN=2,CID3719398,,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(Br)o1,CID1011853,0.0,,,,,,0.0,,,,,,,0.0,,0.0,0.0
O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccco1,CID671037,0.0,0.0,,,0.0,,0.0,,,0.0,0.0,,,0.0,,,
O=C(COC(=O)CN1C(=O)c2ccccc2C1=O)Nc1ncc(Cl)cc1Cl,CID2375982,0.0,,,,,,,,,,,,0.0,,,,
CC(C)CC(C(=O)OCC(=O)Nc1ncc(Cl)cc1Cl)N1C(=O)c2ccccc2C1=O,CID5192547,,,,,,,,,,,,0.0,,,,,
CN(C)c1ccc(/C=N/CCc2ccc(S(N)(=O)=O)cc2)cc1,CID2368997,,,,,,,,,,,,,,0.0,,,
CCN(CC)c1ccc(/C=N/CCc2ccc(S(N)(=O)=O)cc2)cc1,CID2315888,,,,,,,,,,,,,,0.0,0.0,,
CN(C)c1cccc(C(=O)N/N=C/c2ccsc2)c1,CID842253,,,,,,,,,,,,,,,0.0,,
COc1cc(C(=O)N/N=C/c2ccsc2C)cc(OC)c1OC,CID868018,,,,,,0.0,,,,,,,,0.0,,,
CCOc1nc(CC)nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)n1,CID1376683,,,,0.0,,,,,0.0,,,,0.0,,,,
CCOc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)n1,CID1376682,,,,,,,,,0.0,,,,,,,,
COc1ccc(/C=C/C(=O)Nc2nonc2NC(C)=O)cc1,CID717588,,,,,,,,,,,,,,,0.0,,
CC(=O)Nc1nonc1NC(=O)/C=C/c1ccccc1,CID940977,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C(c2nnnn2CCc2ccccc2)N2CCSCC2)cc1,CID655758,0.0,,,,,,,,,,,,,,,0.0,
Clc1ccc(C(c2nnnn2CCc2ccccc2)N2CCSCC2)cc1,CID3213471,,,,,,,,,,,,0.0,,0.0,,,
COc1cc2c(cc1OC)CN(CC(=O)Nc1ccc3c(c1)OCO3)CC2,CID2497112,,,,,,0.0,,,,,,0.0,,0.0,,,
CC(=O)c1cc2c(cc1NC(=O)CN1CCc3ccccc3C1)OCO2,CID2196508,0.0,,,0.0,,,0.0,,,,,0.0,,,,,0.0
O=C(NCc1cccs1)c1nc2n(Cc3ccccc3Cl)[nH]nc-2c(=O)n1,CID655750,,,0.0,0.0,0.0,,,,,,,,,,,,
O=C(NCc1cccs1)c1nc2n(Cc3ccc(F)cc3)[nH]nc-2c(=O)n1,CID645098,0.0,,,0.0,0.0,,,,,0.0,0.0,,0.0,,,,
O=C(c1ccc(COc2ccccc2[N+](=O)[O-])o1)N1CCCCCC1,CID3345382,,,,,,0.0,,,,,,,,,,,
O=C(c1ccc(COc2ccccc2Br)o1)N1CCCCCC1,CID1011947,,,,,,,,,0.0,,0.0,,,,,,0.0
O=C(NC(Cc1ccccc1)C(=O)N1CCCC1C(=O)O)c1ccccc1,CID2897870,,,0.0,,0.0,,,0.0,,,,,0.0,,,,
Cc1ccc(CC(NC(=O)c2ccccc2)C(=O)N2CCCC2C(=O)O)cc1,CID2939573,,,,,0.0,,0.0,,,,,,,,,,
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1,CID2077952,,,,,,,,,0.0,0.0,,,,,,,
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)C1CCCN1S(=O)(=O)c1ccccc1F,CID3000128,0.0,,,,,,,,,,,,0.0,0.0,,0.0,
c1cnc(SCCOc2cccc3ccccc23)nc1,CID2184557,,,,,,,,,,,,0.0,,0.0,0.0,,
Clc1ccc(OCCSc2ncccn2)c2ccccc12,CID2199726,,,,,,,,,,0.0,,,,,,,
Cc1ccc(/C=N/n2nnnc2N)o1,CID662413,,,,,,,0.0,,,,,0.0,0.0,,,,
Nc1nnnn1/N=C/c1ccco1,CID662797,,,,0.0,,,,,,,,0.0,,,,,
Cc1ccc(NC(=O)COC(=O)c2ccn(C)n2)cc1,CID653594,,0.0,0.0,,,0.0,,,,,,0.0,,,0.0,,
Cn1cc(Cl)c(C(=O)OCC(=O)Nc2ccccc2)n1,CID1136475,,,,,,0.0,,,,,,,,,,,
Cc1cccn2c(=O)c3cc(C(=O)NC4CCCC4)c(=N)n(C4CCCC4)c3nc12,CID653589,,,0.0,,,,,0.0,,,,,,,,,
N=c1c(C(=O)NC2CCCC2)cc2c(=O)n3ccccc3nc2n1C1CCCC1,CID3151386,0.0,,,,,,,,,,,,,,,,0.0
COc1ccc(C(=O)Nc2cccc(/C(C)=N/NC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2)cc1OC,CID1008824,,,,,,,,,,,,0.0,,,,,
COc1ccc(C(=O)Nc2cccc(/C(C)=N/NC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1OC,CID1009081,,,,,,0.0,,,,,,,,,,,
COc1ccc(-c2nc3ccccc3c(=O)n2-c2cccnc2)cc1,CID829454,,,,,,0.0,,,,,,0.0,,,0.0,,
O=c1c2ccccc2nc(-c2ccccc2)n1-c1cccnc1,CID921163,,,,,,0.0,,,,,,,,,,,
O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1,CID1107099,,,,,,,0.0,,0.0,,,,,,,,
O=C(Nc1nnc(-c2ccccc2)s1)c1cccc(S(=O)(=O)N2CCOCC2)c1,CID1217289,,,,,,,,,,,0.0,,,,,,
COc1ccc(-c2oc3ncnc(NCCN4CCOCC4)c3c2-c2ccc(OC)cc2)cc1,CID666358,,,,,,0.0,,,,0.0,0.0,,,,,,0.0
c1ccc(-c2oc3ncnc(NCCN4CCOCC4)c3c2-c2ccccc2)cc1,CID1251356,0.0,0.0,0.0,0.0,,,,0.0,,,0.0,,,,,,0.0
CC1=C(C(=O)OC(C)C)C(c2c[nH]c3ccccc23)N2NC=NC2=N1,CID5308883,,,,,,,0.0,,,,,,,,,,
CCOC(=O)C1=C(C)N=C2N=CNN2C1c1c[nH]c2ccccc12,CID5711539,,,,0.0,,,,,,,,,0.0,,,,
C1CCN(c2nc3nonc3nc2N2CCCCC2)CC1,CID872263,,0.0,,0.0,,,,,,,,0.0,,,,0.0,
CC1CCCN(c2nc3nonc3nc2N2CCCC(C)C2)C1,CID3122051,,,,,,,,,,,,0.0,,,,,
CC(C)(C)n1nnnc1C(c1cccs1)N(Cc1ccccc1)Cc1ccco1,CID646725,0.0,,,,,,0.0,,,0.0,0.0,,,,,,
CCOc1ccc(CN(Cc2ccco2)C(c2cccs2)c2nnnn2C(C)(C)C)cc1,CID653708,0.0,,,,,,0.0,,,,,,,,,,0.0
Cc1cc(OCCCC(=O)NCc2cccs2)ccc1Cl,CID2491998,,,,,,,,,,,,,,0.0,,,
Cc1cc(Cl)ccc1OCCCC(=O)NCc1cccs1,CID2122236,,,,,,,,,,,,,,0.0,,,
CCCc1nnc(SCC(=O)N2CCOCC2)n1CCCOC,CID656245,,0.0,0.0,,,,,,,,,,,,,0.0,
Cc1nnc(SCC(=O)N2CCOCC2)n1C,CID803118,,,0.0,,,,,,,0.0,,,,,,,
Cc1cc(NC(=O)c2cc(-c3ccco3)on2)nn1Cc1ccc(Cl)cc1,CID3242024,0.0,0.0,,0.0,0.0,,,,,,,,0.0,,,,0.0
Cc1ccc(Cn2ccc(NC(=O)c3cc(-c4ccco4)on3)n2)cc1,CID3243785,0.0,,0.0,,,0.0,,,,0.0,,,0.0,,,,0.0
O=C(COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)NC1CCS(=O)(=O)C1,CID2999680,,,,,0.0,,,,,0.0,0.0,,,,,,
CC1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)OCC(=O)NC2CCS(=O)(=O)C2)c1,CID2997824,,,,,0.0,,,,,,,,,,,,
Cc1cc(C)c2[nH]c(=O)c(C(c3nnnn3C(C)(C)C)N3CCN(C(=O)c4ccco4)CC3)cc2c1,CID644766,,,,,,,,,,,0.0,,,,,,
Cc1cccc2cc(C(c3nnnn3C(C)(C)C)N3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]c12,CID655555,,,,,,,,,,0.0,0.0,,,,0.0,,
Cc1nn(-c2ccccc2)c(Cl)c1C1C(C#N)=C(N)Oc2n[nH]c(C)c21,CID644769,0.0,0.0,,,,,,,,,,,,,,,
CCCc1[nH]nc2c1C(c1c(C)nn(-c3ccccc3)c1Cl)C(C#N)=C(N)O2,CID657811,0.0,,,,,,,,,,,,,,,,
O=C(CN1CCCN(S(=O)(=O)c2ccc(Br)cc2)CC1)Nc1ccc2c(c1)OCO2,CID3237119,0.0,,,,,,0.0,,0.0,,0.0,,,,,,0.0
COc1ccc(S(=O)(=O)N2CCCN(CC(=O)Nc3ccc4c(c3)OCO4)CC2)cc1,CID3243899,,,,,0.0,0.0,,,,,,,,,,0.0,
Cc1ccc(S(=O)(=O)N2CCCC2C(=O)n2nc(C)cc2C)cc1,CID3244073,,0.0,,,,,,,,,,,,,0.0,,0.0
Cc1cc(C)n(C(=O)C2CCCN2S(=O)(=O)c2ccc(Cl)cc2)n1,CID3243549,0.0,,,0.0,0.0,0.0,,,,,,,,,,,
COc1ccc(Cl)cc1Nc1nc(NCCO)nc(N2CCCC2)n1,CID650378,0.0,0.0,,,,,,,,,,,,,,0.0,
CCCNc1nc(Nc2ccc(C)cc2)nc(N2CCCC2)n1,CID2201391,,,,,,,,,,0.0,0.0,,,,,,
CC1=C2C(=NC(=O)CSC2c2ccc3c(c2)OCO3)N(c2ccc(C)cc2)N1,CID5389923,,,0.0,,,,,,,0.0,,,,,,,
CC1=C2C(=NC(=O)CSC2c2ccc3c(c2)OCO3)N(c2ccccc2)N1,CID5738238,,,0.0,,,,,,,,,,,,,,
COc1ccc(CC(=O)O/N=C(\N)Cc2ccc(OC)cc2)cc1,CID9587065,,,,,,0.0,,,,,,,,,,,
COc1ccc(C/C(N)=N/OC(=O)Cc2ccc(OC)c(OC)c2)cc1,CID5348666,,,,,,,,,,,,,,0.0,,,
CCCCNC(=O)CC1C(=O)N(Cc2ccccc2)C(C)c2nc3ccccc3n21,CID3242809,,0.0,,,,0.0,,,,,,,0.0,,,,
COCCCNC(=O)CC1C(=O)N(Cc2ccccc2)C(C)c2nc3ccccc3n21,CID16194077,,,,,,,,,,,,,,,0.0,,
COc1ccccc1N1CCN(C(=O)CSc2nc3ccccc3c(=O)n2CC2CCCO2)CC1,CID3242802,,,,,,,,,,0.0,,,,,,,0.0
O=C(CSc1nc2ccccc2c(=O)n1CC1CCCO1)N1CCN(c2ccccc2)CC1,CID2939742,0.0,,0.0,,,,,,,,,,,,,0.0,0.0
N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2C1c1cccc(OC(=O)N2CCOCC2)c1,CID2908562,,,,,,,,,,,,,0.0,,,0.0,0.0
N#CC1=C(N)Oc2n[nH]c(-c3ccc(F)cc3)c2C1c1cccc(OC(=O)N2CCOCC2)c1,CID3237872,,,,,,,,,,,,,,,,0.0,
O=C(NC1CCCCC1)n1c(=O)oc2ccccc21,CID659566,,,,,0.0,,,,,0.0,,,0.0,,,0.0,
O=C(NC1CCCCC1)n1c(=O)oc2ccc(Cl)cc21,CID598162,,,,0.0,,,,,,0.0,,,0.0,0.0,,0.0,0.0
Cn1c(=O)[nH]c(=O)c2c1nc(SCC(=O)Nc1ccccc1)n2Cc1ccccc1,CID3101178,,,0.0,0.0,0.0,,,,,,0.0,,,,,,
Cc1cccc(Cn2c(SCC(=O)Nc3ccccc3)nc3c2c(=O)[nH]c(=O)n3C)c1,CID1107693,,,0.0,,0.0,,,,,,0.0,,,,,,
CCCOc1ccc2oc(=O)c3c(c2c1)CCCN3C(=O)CN1CCc2ccccc2C1,CID3244896,,,,0.0,,0.0,,,,,,,,,,,
CC(C(=O)N1CCCc2c1c(=O)oc1ccc(O)cc21)N1CCc2ccccc2C1,CID3242473,,,,,,,,,,,,,,,,0.0,
COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1C#N,CID1678864,,,,,,,,,,,,0.0,,0.0,,,
COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)c1C#N,CID1678884,,,,,,,,,,,,,,0.0,,,
Cc1cnc(NC(=O)CSc2nnc(CNc3ccc(F)cc3)n2CC2CCCO2)s1,CID655264,,,,,0.0,0.0,,,,,,,,,,,0.0
Cc1ccc(NCc2nnc(SCC(=O)Nc3ncc(C)s3)n2CC2CCCO2)c(C)c1,CID651528,,,,0.0,,,,,,,,0.0,,,,0.0,0.0
O=C(NCCc1ccccc1Cl)C1CCN(S(=O)(=O)c2cccs2)CC1,CID9551080,,,,,,,,,,,,,,0.0,,,
O=C(NCCc1ccccc1)C1CCN(S(=O)(=O)c2cccs2)CC1,CID2329280,,0.0,,,0.0,,0.0,,0.0,0.0,0.0,,0.0,0.0,0.0,,
O=C(COC(=O)Cn1cnc2ccccc21)NCCc1ccccc1,CID2422184,,0.0,,,0.0,,,0.0,,,0.0,,,,,,
Cc1nc2ccccc2n1CC(=O)OCC(=O)NCCc1ccccc1,CID5024001,,,,,,0.0,,,,,,,,,,,
COc1ccc(-c2nnc(N(C)C(=O)C3CCCO3)s2)cc1,CID3231189,,,,,,,,,,,,,,0.0,,,
COc1ccccc1-c1nnc(N(C)C(=O)C2CCCO2)s1,CID650758,,,,,,,,0.0,,,0.0,,0.0,,,0.0,
O=S(=O)(N1CCOCC1)N1CCN(c2ccccc2F)CC1,CID973790,,,,,,,,0.0,,,,,,,,,
Cc1cccc(C)c1N1CCN(S(=O)(=O)N2CCOCC2)CC1,CID1259103,,,,,,0.0,,,,0.0,0.0,,,,,,
O=C(Nc1ccccc1N1CCOCC1)c1ccc2ccccc2n1,CID2127840,0.0,,,,,,,,,0.0,,,0.0,,,,
O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc2ccccc2n1,CID2102463,0.0,,,,0.0,,,,,,,,,,,,
C/C(=N\NC(=O)C(C)Oc1ccc([N+](=O)[O-])cc1)c1ccccn1,CID3405433,,,,,,0.0,,,,,,,,,,,
Cc1ccccc1OCC(=O)N/N=C/c1ccccn1,CID773829,,,,,,,,,,,,,,0.0,0.0,,
O=C(Oc1ccccc1C(=S)N1CCOCC1)c1cccc([N+](=O)[O-])c1,CID1127242,,,,,,0.0,,,,,,,,,,,
O=C(Oc1ccccc1C(=S)N1CCOCC1)c1ccc([N+](=O)[O-])cc1,CID2885054,,,,,,0.0,,,,,,,,,,,
O=C(CNS(=O)(=O)c1ccc(Br)s1)NCc1ccc2c(c1)OCO2,CID3239591,,,,,,,,,0.0,,,,,,,0.0,
CC(C)C(NS(=O)(=O)c1cccs1)C(=O)NCc1ccc2c(c1)OCO2,CID5308112,,,,0.0,,,,,,,,,,,,,
O=C(O)c1cccc2c1C(=O)N(C1CCCCC1)C2,CID783733,,,0.0,,,0.0,0.0,,0.0,,,,0.0,0.0,0.0,,
NC(=O)c1cccc2c1C(=O)N(C1CCCCC1)C2,CID5309879,,,0.0,,,,,,,,,,0.0,,,,
CCn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1ccncc1,CID1292683,0.0,,,,0.0,,0.0,,,,0.0,,,,,0.0,
CCCn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1ccncc1,CID644726,,,,,0.0,0.0,0.0,0.0,,,0.0,,,,,0.0,
COC(=O)CSC1=C(C#N)C(=O)NC2(CCCCC2)S1,CID660940,,,,,,,,,,,,,,0.0,0.0,,
CCOC(=O)CSC1=C(C#N)C(=O)NC2(CCCCC2)S1,CID660625,,,,,,,,,,0.0,0.0,,,,,,
O=C(CSc1nc(O)cc(=O)[nH]1)N1c2ccccc2CCc2ccccc21,CID1283412,,,,,,0.0,,,,,,,,,,,
O=C(CSc1nccc(=O)[nH]1)N1c2ccccc2CCc2ccccc21,CID653388,0.0,0.0,,,0.0,,0.0,,,,,0.0,0.0,,,,
Clc1nc(NCc2ccco2)nc(N2CCCCC2)n1,CID790434,,,,,,,,,,,,,,,0.0,,
COc1nc(NCc2ccco2)nc(N2CCC(C)CC2)n1,CID648916,0.0,0.0,,0.0,,,0.0,0.0,,,,,,,0.0,,0.0
COC(=O)c1ccc(CN(c2ccccn2)S(=O)(=O)c2ccccc2)cc1,CID1352622,,,,,,0.0,,,0.0,,0.0,,,0.0,,,
O=C(O)c1ccc(CN(c2ccccn2)S(=O)(=O)c2ccccc2)cc1,CID1274397,,,0.0,,,,0.0,,,,,,,,0.0,,
Nc1nonc1C(=O)N1CCCCC1,CID535637,,,,,,,,,,,,,,0.0,,,
CC(=O)Nc1nonc1C(=O)N1CCC(C)CC1,CID748003,,0.0,,0.0,,,,,0.0,,,,,0.0,,,
COc1cccc2c(=O)n(CC(=O)N3CCCc4ccccc43)ccc12,CID2145346,0.0,,,,,,,,,,0.0,,0.0,,,,
COC(=O)COc1cccc2c(=O)n(CC(=O)N3CCCc4ccccc43)ccc12,CID2149524,,,,,,,,,,,,,,,0.0,,
CC(C)c1nnc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)s1,CID5112626,,,,,,,,,,,,0.0,,0.0,,0.0,
CCc1nnc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)s1,CID4580890,,0.0,,0.0,,,,0.0,,,,,,,,0.0,
COc1ccc(-c2c3c(nc4sc5c(=O)nc(C)[nH]c5c24)CCC3)cc1,CID990655,,,,,,,,,,,,0.0,,,,,
O=c1nc[nH]c2c1sc1nc3c(c(-c4ccc(Cl)cc4)c12)CCC3,CID990652,,,,,,,,,,,,0.0,,,,,
Cc1ccc(C)c(/C=N/NC(=S)NCCc2ccccc2)c1,CID2357437,,,,,,,,,,,,,,,0.0,,
C/C(=N\NC(=S)NCCc1ccccc1)c1ccc(C)cc1,CID4196594,,,,,,,,,,0.0,,,,,,,
CC(C)(C)n1nnnc1C(c1cccnc1)N1CCN(c2ccccc2)CC1,CID3229276,,,,,,,,,,,0.0,,,,,,
CC(C)(C)n1nnnc1C(c1cccnc1)N1CCN(c2ccccc2F)CC1,CID3229283,,,,,,,,,,,0.0,,,,,,
Cc1ccc(NC(=S)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(C)c1,CID1323161,,,,,,,,,,,,0.0,,,,,
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=S)N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID3431772,,,,,,,,,,,,,,,0.0,,
Cc1cc(NC(=O)c2ccccc2NS(=O)(=O)c2c(C)c(C)cc(C)c2C)no1,CID2354969,,0.0,,,,,,,,0.0,,,0.0,,,,
Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)Nc2cc(C)on2)c1,CID2354951,,,0.0,,,,,,,,,,,,,0.0,0.0
CC(C)CCNC(=O)CN(C(=O)CCC(=O)Nc1ccccn1)c1ccc2c(c1)OCO2,CID649507,,,0.0,,,,,,,,,,0.0,,,,
CCC(C)(C)NC(=O)CN(C(=O)CCC(=O)Nc1cc(C)ccn1)c1ccc2c(c1)OCO2,CID646587,,0.0,,,,,,,,0.0,,0.0,,,,,
O=C(N/N=C/c1cccs1)c1sccc1-n1cccc1,CID1481267,,,,,,,,,,,,,,0.0,0.0,,
C/C(=N\NC(=O)c1sccc1-n1cccc1)c1cccs1,CID1484912,,,,,,,,,,,,,,,0.0,,
O=C(N/N=C/c1ccccc1)c1ccccc1-n1cccc1,CID1481265,,,,,,,,,,,,,,,0.0,,
O=C(N/N=C/c1cccc(Br)c1)c1ccccc1-n1cccc1,CID1484921,,,,,,,,,0.0,,,,,,,,
O=C(CC(c1ccccc1)c1cc(Br)ccc1O)NCCN1CCOCC1,CID2950323,,,,,,,,,0.0,,,,,,,0.0,
O=C(CC(c1ccccc1)c1ccccc1O)NCCN1CCOCC1,CID655118,,0.0,,,,,,,0.0,,,,,,,,0.0
O=C(CCN1C(=O)COc2ccccc21)NCCCN1CCN(c2ccc(F)cc2)CC1,CID3239206,,,,,,0.0,,0.0,,,,,,,,,
O=C(CCN1C(=O)COc2ccccc21)NCCCN1CCN(c2ccccc2F)CC1,CID3238582,,,,0.0,,,,,,,,,,,,,
CCC(C)NC(=O)C1CCN(S(=O)(=O)N2CCCC2)CC1,CID3239200,,0.0,,0.0,,,,,,,,,,,,0.0,
CCOCCCNC(=O)C1CCN(S(=O)(=O)N2CCCC2)CC1,CID3603333,,,,,,,,,,,,,,,0.0,,
CCc1nnc(SCc2ccc(CSc3nnc(CC)n3N)cc2)n1N,CID1569640,,,,,,,,,,,,0.0,,,,0.0,
CC(C)c1nnc(SCc2ccc(CSc3nnc(C(C)C)n3N)cc2)n1N,CID1590983,,,,,,,0.0,,,,0.0,,,,,0.0,
COc1ccc(-c2nnc(SCC(=O)c3[nH]c(C)c(C(C)=O)c3C)o2)cc1,CID2107666,0.0,0.0,,,0.0,,,0.0,,,,,0.0,,,,0.0
COC(=O)c1c(C)[nH]c(C(=O)C(C)Sc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)c1C,CID3000016,,0.0,,,0.0,,0.0,,,,0.0,,0.0,,,,0.0
COc1cc(NC(=O)COC(=O)/C=C/c2c(C)nn(-c3ccc(F)cc3)c2Cl)cc(OC)c1,CID2499497,,,,,,,,,,,,,,,0.0,,
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)OCC(=O)Nc1ccc(F)cc1F,CID2494322,,,,,,,,,,,,,,0.0,,,
COc1ccc(/C=N/Nc2nncc3ccccc23)cc1,CID124095,,,,,,,,,,,,,,0.0,0.0,,
Clc1nnc(N/N=C/c2ccccc2)c2ccccc12,CID609646,,,,,,0.0,,,,,,0.0,,,,,
Cc1cc(/C=N/n2cnnc2)c(C)n1-c1ccc(OCc2ccccc2F)cc1,CID1324435,,,,,,0.0,,,,,0.0,,,,,0.0,
Cc1cc(/C=N/n2cnnc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1,CID1282232,,,,,,0.0,,,,,,,,,,,
Cc1cc(=O)oc2cc(OCc3nnc(-c4ccccc4Br)o3)ccc12,CID2089337,0.0,,,,,,0.0,,0.0,,0.0,0.0,,,,,0.0
O=c1ccc2ccc(OCc3nnc(-c4ccccc4Br)o3)cc2o1,CID2114786,0.0,,,,,,0.0,,,,0.0,0.0,,,,0.0,0.0
CC(=O)Cc1nsc(NC(=O)c2cc(-c3ccccc3Cl)oc2C)n1,CID3157316,0.0,,,0.0,0.0,,,,,,0.0,,,,,,
CC(=O)Cc1nsc(NC(=O)c2cc(-c3cccc(C(F)(F)F)c3)oc2C)n1,CID1091701,,,,,0.0,,,,,0.0,,,,,,,0.0
O=C(CN1CCCCC1)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1,CID653537,,,,,0.0,,,,,,,,,,,,
CC1CCCN(CC(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)C1,CID646774,,,,,,,,,,,,,0.0,,,,
CCOc1ccccc1-c1nc(-c2ccc(NC(=O)c3ccc(Br)o3)cc2)no1,CID3235646,0.0,,,,,,,,0.0,,,,,,,,
COc1ccc(-c2nc(-c3ccc(NC(=O)c4ccc(Br)o4)cc3)no2)cc1OC,CID3242572,0.0,,,,,,,,0.0,,0.0,,,,0.0,0.0,
COc1cc2c(C(=O)NC3CCCCCC3)cn(C)c(=O)c2cc1OC,CID3235644,,,,,,0.0,,,0.0,,,0.0,,,,,0.0
CCn1cc(C(=O)NC2CCCCCC2)c2cc(OC)c(OC)cc2c1=O,CID3244153,,,,,,,,,,,0.0,,,,,,
COc1ccc(C(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)cc1,CID653411,,,,,0.0,,,,,,,,,,,,0.0
O=C(CSc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1)c1ccccc1F,CID650831,,,,,0.0,,0.0,,,,0.0,,,,,0.0,
COc1ccc(CNC(=O)c2csnn2)cc1,CID653416,,,,,,,,,,0.0,,,,,,,0.0
COCCN(C(=O)c1csnn1)C(C(=O)NC(C)(C)C)c1cccc(OC)c1,CID655190,,,,0.0,,,0.0,,0.0,,0.0,,,,,0.0,
O=C(NCc1cccnc1)c1cccc(S(=O)(=O)N2CCCCC2)c1,CID1107114,0.0,,0.0,0.0,0.0,,0.0,0.0,,,,,,,,0.0,
O=C(NCc1cccnc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl,CID2250493,0.0,,,0.0,0.0,,,,0.0,,0.0,0.0,,,0.0,,0.0
Cc1ccc(S(=O)(=O)n2nc(-c3cccnc3)nc2N)cc1,CID970935,,0.0,,,,,,,,0.0,,,,,0.0,,
Nc1nc(-c2cccnc2)nn1S(=O)(=O)c1ccccc1,CID969953,,0.0,,0.0,,,,0.0,,0.0,,,,,,,
CC(C(=O)NCCc1ccc(F)cc1)N1CCN(Cc2ccccc2)CC1,CID4879853,,,,,,,,,,,,,,,0.0,,
CC(=O)C(Cc1ccccc1)NC(=O)CN1CCN(Cc2ccccc2)CC1,CID4840164,,,,,,,,,,,,,,0.0,,,
O=C1OCCC1Sc1nc2cc(Cl)ccc2s1,CID2997986,,,,,,0.0,,,,,,,,,,,
O=C1OCCC1Sc1nc2ccccc2s1,CID2947593,,,,,,,,,,,,0.0,0.0,,,,
CC(=O)Oc1c(Cl)c(N2CCOCC2)c(OC(C)=O)c2ccccc12,CID1380425,,,,,,,,,,,,,,0.0,,,
N#Cc1cc2ccc(N3CCOCC3)cc2cc1C#N,CID784670,,0.0,0.0,,,,,,,0.0,,,0.0,,0.0,,
O=C(Cc1cccs1)Nc1nnc(SCC(=O)N2CCCCC2)s1,CID646024,,,,,0.0,,,,0.0,,,,,,,,
CC1CCCC(C)N1C(=O)CSc1nnc(NC(=O)Cc2cccs2)s1,CID653035,,,,,0.0,,0.0,,0.0,,,0.0,,,,0.0,
Cc1noc(C)c1CSCC(=O)N1CCN(c2ccc(F)cc2)CC1,CID2533624,,,,,,,,,,,0.0,,,,0.0,,0.0
Cc1cccc(N2CCN(C(=O)CSCc3c(C)noc3C)CC2)c1C,CID2537506,,,,0.0,,0.0,,,,,0.0,,,,,0.0,0.0
O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCCOc2ccccc2)cc1,CID1604454,,,,,,0.0,,,,,,,,,,,
COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1ccc(C)cc1,CID1920986,,,,,,0.0,,,,,,,,,,,
CC1CCN(C(=O)Cn2cc3c(n2)CCCC3)CC1,CID5307111,,,,0.0,,,,,,,,,,,,0.0,
CCOC(=O)C1CCN(C(=O)Cn2cc3c(n2)CCC(C)C3)CC1,CID5308441,,,0.0,,,,0.0,,,,,,,,,,
CCn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nnc1-c1cccs1,CID1300204,,,0.0,0.0,0.0,,,,0.0,0.0,,,,0.0,,0.0,0.0
Cn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nnc1-c1cccs1,CID1292671,0.0,0.0,0.0,,0.0,,0.0,,,0.0,0.0,,,0.0,,0.0,
CCOc1cccc(=O)c2c(C)n(C)c(C)c12,CID659814,,,,,,,,,,,,,0.0,,,,
COc1cccc(=O)c2c(C)n(C)c(C)c12,CID804120,,0.0,,,,,,,,,,,0.0,,,0.0,
O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1CN1CCOCC1,CID659811,0.0,0.0,0.0,,,,,,,,,0.0,0.0,,,,
O=c1[nH]c2ccc(Br)cc2c(-c2ccccc2)c1CN1CCOCC1,CID1162877,0.0,,,,,,,,0.0,,0.0,,,,,0.0,0.0
O=C(Nc1cccc(-c2nnc(-c3ccccc3)o2)c1)c1ccco1,CID659810,0.0,,0.0,0.0,,0.0,,0.0,,0.0,0.0,,,,,,
O=C(Nc1cccc(-c2nnc(-c3ccccc3)o2)c1)c1ccc(Br)o1,CID2192936,0.0,,,,,,1.0,,0.0,,0.0,,,,,0.0,0.0
CCc1nnc(NC(=O)CSc2nnnn2-c2cccc(C(=O)OC)c2)s1,CID650990,,0.0,,,,,,,,,,,,,0.0,0.0,0.0
COc1ccc(-n2nnnc2SCC(=O)Nc2nnc(C)s2)cc1OC,CID646327,,0.0,,0.0,0.0,,,,,,,,,,,0.0,0.0
CCN(CC)c1nc2n(c(=O)n1)CCN2CC,CID610464,,0.0,,,,,,,,,,0.0,,,,,
CC(C)Nc1nc2n(c(=O)n1)CCN2C(C)C,CID766333,,0.0,,0.0,,,,0.0,,,0.0,0.0,,,0.0,,
Cc1ccc(Cc2nc(-c3ccncc3)no2)cc1,CID895193,,,,,,,,,,,,,,,0.0,,
Clc1ccc(Cc2nc(-c3ccncc3)no2)cc1,CID873933,,,,,,,,,,,,,,0.0,,,
NC(=O)c1ccsc1NC(=O)CSc1nc2ccccc2c(=O)n1CCCO,CID2575371,,,,,,,,,0.0,0.0,,,,,,0.0,
C=CCn1c(SCC(=O)Nc2sccc2C(N)=O)nc2ccccc2c1=O,CID2472117,,,,,,,,,0.0,0.0,,,,,,,
CSCCC(NC(=O)COc1ccccc1)C(=O)Nc1ccc(C)cc1,CID4370339,,,,,,,,,,,,,,,0.0,,
COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)COc1ccccc1F,CID2450516,,,,,,,,,,,,,,,0.0,,
COc1ccc(N2CCN(C(=O)CCCCn3c(=O)[nH]c4ccsc4c3=O)CC2)cc1,CID2135527,,,,,,,,,,,,,,,0.0,,
COc1ccccc1N1CCN(C(=O)CCCCn2c(=O)[nH]c3ccsc3c2=O)CC1,CID5308634,,,,,,,,,,,0.0,,,,,0.0,
O=C(Nc1cccc(NC(=O)c2cccnc2Cl)c1)c1ccco1,CID745631,,,,,,,,,,,,,,,0.0,,
COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cccnc1,CID834436,,0.0,,,,,,,,,,0.0,0.0,,0.0,,
CCOC(=O)c1cccc(NC(=O)C2CCC(CNc3c(N4CCOCC4)c(=O)c3=O)CC2)c1,CID5307977,,,,,,,0.0,0.0,,,,,,,,,
CCOc1ccccc1NC(=O)C1CCC(CNc2c(N3CCOCC3)c(=O)c2=O)CC1,CID5307707,,,,,,,,0.0,,,,,,,,,
CSCCC(NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)NC1CCC(C)CC1,CID5307979,,,,,,,,,,,,,,,,0.0,0.0
CSCCC(NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)NC1CCCCC1,CID5308943,,,0.0,,,,,,,,,,,,,0.0,
Nc1ccc(Sc2cnn(-c3ccccc3)c(=O)c2Cl)cc1,CID838934,,,,,,0.0,,,,,,,,,,,
Cc1ccc(Sc2cnn(-c3ccccc3)c(=O)c2Cl)cc1,CID838935,,,,,,0.0,,,,,,,,,,,
COc1ccccc1NC(=O)NC1(C(=O)N2CCCCCC2)CCCCC1,CID1444546,,,,,,,,,,,,0.0,,0.0,,,
COc1ccc(NC(=O)NC2(C(=O)N3CCCCCC3)CCCCC2)cc1,CID654353,0.0,0.0,,,,0.0,,,,,,0.0,0.0,,0.0,,0.0
C=CCOc1ccc(/C=N/n2cncn2)cc1OC,CID3240705,,0.0,,,,,,,,,,0.0,,,,,
COc1cccc(/C=N/n2cncn2)c1OCC#N,CID3241426,,0.0,,0.0,,,,,,,,,,,,0.0,
Cc1cccc(N(CC(=O)NC2CCCC2)C(=O)c2c(C)noc2C)c1,CID1460398,,,,,,0.0,,,0.0,0.0,0.0,,,,,,
Cc1ccc(N(CC(=O)NC2CCCC2)C(=O)c2c(C)noc2C)cc1C,CID1460401,,,,,,,,,0.0,,0.0,,,,,,
CCOc1ccccc1-c1cc(-c2ccccc2)nc2c1c(=O)n(C)c(=O)n2C,CID2392552,,,,,,0.0,,,0.0,0.0,0.0,,,,,,
CCOc1ccccc1-c1cc(-c2ccc(OC)cc2)nc2c1c(=O)n(C)c(=O)n2C,CID2354555,0.0,,0.0,,0.0,,,,0.0,,,,,,,,
O=C1N=c2ccccc2=C1Nc1ccc(-c2nnc3n2CCCCC3)cc1,CID2357945,,0.0,0.0,0.0,,,,0.0,,,,,0.0,0.0,,,0.0
O=C1N=c2ccc(Br)cc2=C1Nc1ccc(-c2nnc3n2CCCCC3)cc1,CID2372559,,,,,,,,,0.0,,0.0,,,,,,
Cc1nc(=S)c2ccccc2[nH]1,CID727351,,,,,,,,,,,,0.0,,,,,
CC(C)c1nc(=S)c2ccccc2[nH]1,CID1085715,,,,0.0,0.0,,,,,,,,,,,,
CCCS(=O)(=O)N1CCC(C(=O)N2CCC3(CC2)OCCO3)CC1,CID3242888,,,0.0,,0.0,,0.0,0.0,,0.0,,,,,,0.0,
CCS(=O)(=O)N1CCC(C(=O)N2CCC3(CC2)OCCO3)CC1,CID3245285,,,,,0.0,,,,,,,,,,,0.0,
CC(C(=O)N1CCOCC1)N1c2cccc3cccc(c23)S1(=O)=O,CID2962844,,,0.0,0.0,,,,,,,,,,,,0.0,
O=C(CN1c2cccc3cccc(c23)S1(=O)=O)N1CCOCC1,CID707260,,,,,,,,,,,,,0.0,,,0.0,
C=CCN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)NC1=S,CID2189824,,,,,,0.0,,,,,,,,,,,
C=CCN1C(=O)/C(=C\c2ccc(C(=O)OC)cc2)C(=O)NC1=S,CID877690,,,,,,0.0,,,,,,,,,,,
CSc1ccn(CCC(=O)O)c(=O)n1,CID752743,,0.0,0.0,0.0,,,,,,,,,,,,,
Nc1[nH]c(=O)ncc1F,CID3366,,,,,,,,,0.0,,,,,,,,
Cc1ccc(-c2noc(=O)n2CC(=O)c2ccc(Cl)cc2)cc1,CID1435041,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C(=O)Cn2c(-c3ccccc3)noc2=O)cc1,CID1434985,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)cc(Oc2cc(NC(=O)c3cn(C)nc3C)cc([N+](=O)[O-])c2)c1,CID998916,,,,,,,,,,,,0.0,,0.0,,,
CCn1nc(C)c(C(=O)Nc2cc(Oc3ccc(Cl)cc3)cc([N+](=O)[O-])c2)c1C,CID1000465,,,,,,,,,,,,,,0.0,,,
COc1ccc(C2C3=C(CCCC3=O)N=C3N=C(SCc4ccccc4)NN32)cc1OC,CID5390053,,,,,,,,,,,,,0.0,,,0.0,
COc1ccc(C2C3=C(CCCC3=O)N=C3N=C(SCc4ccc(C(=O)O)cc4)NN32)cc1OC,CID5308600,,,0.0,,,0.0,,,,0.0,,,0.0,,0.0,,
Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccc(Br)o1,CID1285767,,,,,,,0.0,,0.0,,0.0,,,,,0.0,
Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccco1,CID969014,,,,,0.0,,0.0,,,0.0,,,0.0,,,0.0,0.0
COC(=O)C1=NN(C(=O)OC(C)(C)C)C(O)(C(C)(C)C)C1,CID5346764,,,,,,0.0,,,,,,,,,,,
CCOC(=O)N1N=C(CC)CC1(O)C(F)(F)F,CID2869273,,,,,,,,,0.0,,,0.0,,,,,
Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCC5(CC4)OCCO5)c3n2)cc1,CID1257683,,,,,,,,,,0.0,,,,,0.0,,
O=C(c1cnn2c(C(F)(F)F)cc(-c3ccccc3)nc12)N1CCC2(CC1)OCCO2,CID2226969,,,,,,,,,0.0,,,,,,,,
CCc1cc2c(N3CCN(c4ccccc4)CC3)ncnc2s1,CID877519,0.0,,,0.0,,,0.0,0.0,,,,,0.0,,,,
CCOC(=O)c1sc2ncnc(N3CCN(c4ccc(OC)cc4)CC3)c2c1C,CID3236884,0.0,,,,,,,0.0,,,,,0.0,,,0.0,0.0
O=C(Nc1ncnc2sc3c(c12)CCCCC3)c1ccc(F)cc1,CID947221,,,,,,,,,,0.0,,,,,,,
Cc1ccc(C(=O)Nc2ncnc3sc4c(c23)CCCCC4)cc1,CID930945,,,,,,0.0,,,,,,0.0,,,,,
O=C(c1ccc(F)cc1)c1c[nH]c(C(=O)NCc2cccnc2)c1,CID1485168,,,,,,,,,,,,0.0,,,,,
COc1ccc(C(=O)c2c[nH]c(C(=O)NCc3cccnc3)c2)cc1,CID3732422,,,,,,,,,,,,0.0,,,,,
CCOC(=O)C(C)SC1=NN/C(=C2/C=CC=CC2=O)N1c1ccc(C)cc1,CID5770393,,,,,,,,,,0.0,,,,,,,
COC(=O)CSC1=NN/C(=C2/C=CC=CC2=O)N1c1ccc(C)cc1,CID5511845,,,0.0,,,,,,,,,,,,,,
COc1cccc(C2(O)CCN(C(=O)Cc3cccnc3)CC2)c1,CID1446574,,,,,,,,,,,,,,0.0,,,
COc1ccc(C2(O)CCN(C(=O)Cc3cccnc3)CC2)cc1,CID646099,,,,,,,0.0,,,,,,,,,,
O=C(C1CCCN(S(=O)(=O)c2ccccc2)C1)N1CCCCCC1,CID3735201,,,,,,,,,,,,,,0.0,,,
COc1ccc(S(=O)(=O)N2CCCC(C(=O)N3CCCCCC3)C2)cc1,CID3243147,,,,,0.0,,,,,,,,,,,0.0,
CCOc1ccc(C(=O)OCC(=O)Nc2nc(OC)cc(OC)n2)cc1OCC,CID2570985,,,,,,,,,0.0,,,,0.0,,,,
COc1cc(OC)nc(NC(=O)COC(=O)c2cccc(Cl)c2)n1,CID2540839,,,,,,,,,,,,,,,0.0,,
CCCc1cc(C(=O)Nc2nnc(C)s2)cs1,CID1245519,0.0,,0.0,,0.0,,,,0.0,0.0,,,,0.0,0.0,,
CCSc1nnc(NC(=O)c2csc(C)c2)s1,CID1246313,,,,,0.0,,,,0.0,,,,,0.0,0.0,,
O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1O,CID2411115,,,,,,,,,,,,,,,0.0,,
CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1,CID3000173,,,,,,,,,,,,,,,,0.0,0.0
CCOC(=O)c1sc(NC(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)c(C#N)c1C,CID644955,0.0,,,,,,,,,,,,,,,,
CCOC(=O)c1sc(NC(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)c(C(=O)OC)c1C,CID3145811,,,,,,,,,,,,0.0,,,,,
Brc1ccc(-c2cnc(-c3cccs3)o2)cc1,CID644958,0.0,,,,,,,,0.0,,0.0,,,,,0.0,
Fc1ccc(-c2cnc(-c3cccs3)o2)cc1,CID856373,,,,,,0.0,,,,,,,,,,,
CC1CCCC(NC(=S)NC(=O)c2ccccc2Br)C1C,CID4158489,,,,,,,,,,,,,,0.0,,,
CN(C(=S)NC(=O)c1ccccc1Br)C1CCCCC1,CID1226755,,,,,,,,,,,,0.0,,,,,
CCn1c(CSc2nnc(C)n2-c2ccccc2)nc2cc(S(=O)(=O)N(C)C)ccc21,CID2999030,,,,0.0,,,,,,0.0,,0.0,,,,,
CCn1c(CSc2nncn2-c2ccc(OC)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21,CID2997952,,,,,,0.0,0.0,,,,,,,,,0.0,0.0
CCC(Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)NCC2CCCO2)cc1,CID651178,,,,,0.0,0.0,,,,,,0.0,0.0,,,0.0,
CC(Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)NCC2CCCO2)cc1,CID2963282,,,,,0.0,,,,,,,,,,,,
CCOC(=O)c1nnn(-c2nonc2N)c1CN1CCc2ccccc2C1,CID651174,,0.0,,,,,0.0,,,,,0.0,,,,0.0,
CC(C)OC(=O)c1nnn(-c2nonc2N)c1CN1CCc2ccccc2C1,CID1043390,,0.0,,0.0,,,,,,,,,,,,,
COc1cccc(C(=O)CSc2nnc(-c3cccs3)o2)c1,CID653995,0.0,,,,,,,,0.0,,0.0,,,0.0,,,
COc1ccc(OC)c(C(=O)CSc2nnc(-c3cccs3)o2)c1,CID654700,,,0.0,,,0.0,,,0.0,,0.0,,0.0,,0.0,,
COc1ccc(CCN(Cc2cccs2)S(=O)(=O)c2ccc(-n3cnnn3)cc2)cc1OC,CID655597,,,0.0,0.0,,,,,,,,,0.0,,,0.0,0.0
COc1cc(S(=O)(=O)N(CCc2ccccc2)Cc2cccs2)ccc1-n1cnnn1,CID1177111,,,,,,,,,,,,0.0,,,,,
C=C(C)CSC1=C(C#N)C(c2ccsc2)CC(=O)N1,CID659340,,,0.0,,0.0,,0.0,,,,,,,0.0,,,
COC(=O)CSC1=C(C#N)C(c2ccsc2)CC(=O)N1,CID2876230,,,,,,,,,,0.0,0.0,,,,,,
O=C1Nc2ccc(S(=O)(=O)NCc3ccccn3)c3cccc1c23,CID870241,,,,0.0,,0.0,,,0.0,,,0.0,0.0,,,0.0,
CCN1C(=O)c2cccc3c(S(=O)(=O)NCc4ccccn4)ccc1c23,CID1192821,,,,,,,,,0.0,,,,,,,,
CCOc1ccc(NC(=O)C(=O)NCC2CCCN2CC)cc1,CID3156748,,,,,,0.0,,,,,,,,,,,
CCOc1ccccc1NC(=O)C(=O)NCC1CCCN1CC,CID3156763,,,,,,,,,,,,0.0,,,,,
CCCC(=O)n1nc(-c2cccnc2)nc1N,CID970872,,,,,,,,,,,,0.0,,0.0,,,
CC(=O)n1nc(-c2cccnc2)nc1N,CID971081,,0.0,,,,,,,,,,0.0,0.0,,0.0,,
Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)NCc1ccco1)c1ccc(C(C)C)cc1,CID5307484,,,,,,,,,,,0.0,,,,,,
COc1ccc(N(CC(=O)NCc2ccco2)S(=O)(=O)c2c(C)nn(C)c2C)cc1,CID5307236,,,,,,0.0,,0.0,,,,0.0,,,,,
COc1ccc(N(CC(=O)Nc2nc3ccc(C)cc3s2)S(=O)(=O)c2c(C)nn(C)c2C)cc1,CID5307485,,0.0,,,,0.0,0.0,,,,,,0.0,,,0.0,
COc1ccc2nc(NC(=O)CN(c3ccc(C)cc3)S(=O)(=O)c3c(C)nn(C)c3C)sc2c1,CID3245568,,0.0,0.0,,0.0,0.0,,,,0.0,,0.0,,,,,
CC1CCCC(NC(=O)c2ccc(CNc3c(N4CCCC4)c(=O)c3=O)cc2)C1C,CID5307486,0.0,,,,,,,,,,,,,,,,
CC1CCCCC1NC(=O)c1ccc(CNc2c(N3CCCC3)c(=O)c2=O)cc1,CID5307297,0.0,,,,,,,0.0,,,,,,,,,
Cc1ccc(-c2csc3nnc(SCC(=O)N4CCN(Cc5ccccc5)CC4)n23)cc1,CID655337,,,,0.0,0.0,,,,,0.0,0.0,0.0,,,,,0.0
O=C(CSc1nnc2scc(-c3ccccc3)n12)N1CCN(Cc2ccccc2)CC1,CID645655,,0.0,0.0,,0.0,,,,,0.0,,0.0,,,,,0.0
CCN1CCN(c2cc(C)c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3n2)CC1,CID5308901,0.0,0.0,,,,,,0.0,,,,,,,,,
Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc12,CID3241487,,,,,,,,,0.0,,,,,,,,
Cn1c(=O)oc2cc(S(=O)(=O)NC(Cc3ccccc3)C(=O)N3CCCCC3)ccc21,CID5308903,,,,,,0.0,,0.0,,,,,,,,,0.0
CC1CCN(C(=O)C(Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)CC1,CID5308553,,,,,,,,,,,,,,0.0,,,
CSc1nnc(-c2cnccn2)n1Cc1ccccc1,CID649293,,,,,0.0,,0.0,,,,,,,,,,
N#CCSc1nnc(-c2cnccn2)n1Cc1ccccc1,CID3228116,,,,,,,,,,,,0.0,,,,,
CC(=O)Nc1ccc2nc(-c3ccncc3)[nH]c2c1,CID1084660,,,,,,,,,,,,0.0,,,,,
c1ccc2[nH]c(-c3ccncc3)nc2c1,CID247634,,,,,,,,,,,,,,,0.0,,
CCOC(=O)C1=C(CNCc2ccc(C)cc2)NC(=O)NC1c1ccc(OC)cc1,CID2978984,0.0,,,,,,,,0.0,,0.0,,,,,0.0,0.0
CCOC(=O)C1=C(CNCc2ccc(C)cc2)NC(=O)NC1c1cc(C)ccc1C,CID2979898,,,,,,,,,0.0,,,,,,,,
COCCN1Cc2c(sc(C)c2C)N(C(=O)c2ccccc2)C1,CID2061103,0.0,,0.0,,,0.0,0.0,0.0,,,,,,0.0,,,
Cc1sc2c(c1C)CN(C(C)(C)C)CN2C(=O)c1ccccc1,CID959556,,,,,,,,,,,,0.0,,,,,
CCc1ccccc1NC(=S)N1CCC(C(=O)c2ccc(F)cc2)CC1,CID1438207,,,,,,0.0,,,,,,,,,,,
Cc1ccccc1NC(=S)N1CCC(C(=O)c2ccc(F)cc2)CC1,CID1438251,,,,,,,,,,,,,,,0.0,,
CN1C(=O)C(=CNCCOc2ccc(Cl)cc2)C(=O)N(C)C1=O,CID5310920,,,,,,,,0.0,,,0.0,,,,,,
CCC(NCCOc1ccc(Cl)cc1)=C1C(=O)N(C)C(=O)N(C)C1=O,CID5389098,,0.0,,,,,,0.0,,,0.0,,,,,,
O=C(c1cc2sccc2n1Cc1ccc(F)cc1)N1CCN(c2nc3ccccc3s2)CC1,CID1427983,,,,,,,,,,,,,,0.0,,,
O=C(c1cc2sccc2n1Cc1ccccc1)N1CCN(c2nc3ccccc3s2)CC1,CID3225147,,,,,,0.0,,,,,0.0,,,,,,
O=C(CCNS(=O)(=O)c1cccc2nsnc12)N1CCc2ccccc21,CID3245189,,,0.0,,0.0,,,,,,,,0.0,,,,
CC1Cc2ccccc2N1C(=O)CCNS(=O)(=O)c1cccc2nsnc12,CID3241258,0.0,0.0,0.0,0.0,0.0,,,,,,,,0.0,,,0.0,0.0
O=S(=O)(c1cccc2nsnc12)N1CCCC1,CID3245186,0.0,,,,,,0.0,,,,,,,,,0.0,
Cc1ccc2nsnc2c1S(=O)(=O)N1CCCC1,CID648568,0.0,,,0.0,,0.0,,,0.0,0.0,,,0.0,0.0,0.0,,
COc1ccc(S(=O)(=O)NCC2CCC(C(=O)N3CCC4(CC3)OCCO4)CC2)cc1,CID3245183,,,,,0.0,,,,,,,,,,,,0.0
Cc1ccc(S(=O)(=O)NCC2CCC(C(=O)N3CCC4(CC3)OCCO4)CC2)cc1,CID3240206,,,,,,,,0.0,,0.0,0.0,,,,,0.0,0.0
CCN(C(C)=O)c1nc(CSc2nnc(NC(C)C)s2)cs1,CID2536790,,,,,,,,,0.0,,0.0,,,,,,
Cc1nc(CSc2nnc(C)s2)cs1,CID752198,,,,,0.0,,,,,,,,,0.0,,,
CCOc1cc(OCC)cc(C(=O)Nc2cccc3ccccc23)c1,CID878168,,,,,,0.0,,,,,,,,,,,
COc1cc(OC)cc(C(=O)Nc2ccc(OC)c3ccccc23)c1,CID719950,,,,,,0.0,,,,,,,,,,,
CC1=C(c2ccccc2)C2=NC3=C(C(=O)CCC3)C(c3ccccc3)N2N1,CID6094852,,,,,,,,,0.0,,,,,,,,
COc1ccc(C2C3=C(CCCC3=O)N=C3C(c4ccccc4)=C(C)NN32)cc1,CID6095159,,,,,,,,,,,,0.0,,,,,
Cn1c(=O)cc(SCC(=O)N2CCOCC2)c2ccc(Cl)cc21,CID3237837,0.0,,,0.0,,,,,,0.0,,,0.0,,,,
CCn1c(=O)cc(SCC(=O)N2CCOCC2)c2ccccc21,CID3243509,,,,,,,,,,,,0.0,,,,,0.0
c1ccc(CSc2nnc(NC3=NCCCCC3)s2)cc1,CID2123447,0.0,0.0,,,0.0,,,,0.0,0.0,,,0.0,,,,
Clc1ccc(CSc2nnc(NC3=NCCCCC3)s2)cc1,CID2123311,,,,,,,,,0.0,,,,,0.0,,,
COc1ccc(CCNC(=O)c2ccc(CS(=O)(=O)c3ccc(C)cc3)o2)cc1OC,CID9550968,,,,,,,,,,,0.0,,,,,,
COc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)o2)cc1,CID5308614,,,,,,,0.0,,0.0,,,,,,,,
CC(C)(Oc1ccc(Cl)cc1)C(=O)OCC(=O)N1CCCC1,CID2356201,,0.0,,,,,,,,0.0,,,,,,,
O=C(COc1ccc(Cl)cc1)OCC(=O)N1CCCC1,CID2356343,,0.0,0.0,,,,,,,,0.0,,,,,0.0,0.0
Cn1ncc(Cl)c1C(=O)Nc1cccnc1,CID700794,0.0,,,,,,0.0,,,,,,,,,,
Cn1nccc1C(=O)Nc1cccnc1,CID649594,,0.0,,0.0,,,,,0.0,,,0.0,,0.0,,,
COc1ccc(-c2nc(CS(=O)CC(=O)NCc3ccco3)c(C)o2)cc1,CID5308291,,,0.0,0.0,,,,0.0,,,,,,,,,
COc1ccc(-c2nc(CS(=O)CC(=O)NCc3ccco3)c(C)o2)cc1OC,CID5309541,,0.0,0.0,,,0.0,,0.0,,,,0.0,,,0.0,,
O=C(Nc1ccccc1)N1CC=C(c2ccccc2)CC1,CID895429,,,,,,,,,,,,0.0,0.0,,,,0.0
O=C(Nc1ccccc1)N1CC=C(c2ccc(F)cc2)CC1,CID2980777,,,,0.0,,,,,,,,,,,,,
CCOC(=O)N1CCN(C(=O)c2ccccc2-c2ccccc2)CC1,CID976075,0.0,,,0.0,,,,0.0,0.0,,0.0,,0.0,0.0,,,
CN1CCN(C(=O)c2ccccc2-c2ccccc2C(=O)O)CC1,CID649340,0.0,,,,,0.0,,,0.0,,0.0,,0.0,0.0,,,
COc1ccc(NC(=O)c2ccc(CNS(=O)(=O)c3cccc(OC)c3)cc2)cc1,CID2241479,,,,,,,,,,,,,,0.0,,,
COc1cccc(S(=O)(=O)NCc2ccc(C(=O)Nc3cccc(Cl)c3)cc2)c1,CID984406,,,,,,,,,,,,0.0,,,0.0,,
CC(CCc1ccccc1)NC(=O)C1CCN(c2nnc(-n3cccc3)s2)CC1,CID5308297,0.0,,,,,,,,,,,,0.0,,,,
O=C(NCCCc1ccccc1)C1CCN(c2nnc(-n3cccc3)s2)CC1,CID5307781,0.0,,,,,,,0.0,,,,,0.0,,,,
O=C1N2CCSC2=NC1(NS(=O)(=O)c1ccccc1)C(F)(F)F,CID3235976,0.0,,,,0.0,,,,,,,,,,,,
COc1ccc(S(=O)(=O)NC2(C(F)(F)F)N=C3SCCN3C2=O)cc1,CID3240836,0.0,,,,0.0,,,,,,,,,,,0.0,
CC12CC(NC(=O)N1CCc1ccccc1)c1cc(Cl)ccc1O2,CID3235970,0.0,0.0,,0.0,,,0.0,,,,,0.0,,,,0.0,0.0
CC12CC(NC(=O)N1CCc1ccccc1)c1ccccc1O2,CID3239988,,,,,,0.0,,,,,,0.0,,,,,
COc1ccccc1N1CCN(C(=O)c2nn(-c3ccccc3OC)c(=O)c3ccccc23)CC1,CID3235978,0.0,,0.0,,,,0.0,,0.0,,0.0,,0.0,,,,
COc1ccc(-n2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c3ccccc3c2=O)c(OC)c1,CID3240907,,,,,,,0.0,,,,,,,,,,
O=S(=O)(NCCCCCNS(=O)(=O)c1ccccc1)c1ccccc1,CID645274,,,,,0.0,,0.0,,,,,,0.0,,0.0,,
O=S(=O)(NCCCCCNS(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1,CID658488,,,,,0.0,,0.0,,,,,,,,,,0.0
COc1ccc(-c2[nH]nc3oc(=O)cc(C)c23)cc1,CID645275,,,,,,,0.0,0.0,,0.0,,,0.0,,,,
Cc1cc(=O)oc2n[nH]c(-c3ccccc3)c12,CID654655,,,,0.0,,0.0,,,,,,,,,0.0,0.0,0.0
COc1ccc(/C=C/C(=O)Nn2cnnc2)cc1,CID1204060,,,,,,,,,,,,,,,0.0,,
O=C(/C=C/c1ccccc1)Nn1cnnc1,CID813021,,,,,,,,,,,,0.0,,0.0,,,
Cc1cc(NC(=O)COc2cccc3cccnc23)no1,CID2128923,,0.0,,,,,,,,,,,0.0,,,,
Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3cc(C)on3)c2n1,CID2478725,,,,,,0.0,,,,,,,,,,,
Cc1nnc2sc(-c3cccc(NC(=O)c4ccc(-c5cccc(Cl)c5)o4)c3)nn12,CID1259328,,,0.0,0.0,0.0,,0.0,,,,0.0,,,,,,0.0
Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccc(-c2cccc(Cl)c2)o1,CID666410,,,,,0.0,,,,,,,,,,,0.0,
CNc1oc(Cc2ccccc2)nc1S(=O)(=O)c1ccc(Cl)cc1,CID2313812,,,,0.0,0.0,0.0,,,,0.0,,0.0,,,0.0,,0.0
CNc1oc(Cc2ccccc2)nc1S(=O)(=O)c1ccccc1,CID701007,,,,,0.0,,0.0,,0.0,,,,0.0,0.0,,,
CC(=O)Cc1nsc(NC(=O)c2cccs2)n1,CID893483,,,,,,,,,0.0,,0.0,,,,,,
CC(O)Cc1nsc(NC(=O)c2cccs2)n1,CID2943507,0.0,0.0,,0.0,,,0.0,,,,,,,,,,
N#Cc1c[nH]n2c(=O)cc(Cc3ccccc3)nc12,CID893481,,0.0,0.0,,,,,,,,,0.0,,0.0,,,
Cc1[nH]n2c(=O)cc(Cc3ccccc3)nc2c1C#N,CID653796,,0.0,,0.0,,,,0.0,,0.0,,,,0.0,,,0.0
O=c1c2ccccc2nnn1CSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1,CID2119996,0.0,,,0.0,0.0,,,,0.0,,0.0,,0.0,,,,
O=c1c2ccccc2nnn1CSc1nc2ccccc2c(=O)n1Cc1ccco1,CID2490449,0.0,,,,0.0,0.0,,0.0,,,0.0,,,,,,0.0
COc1cccc(-c2csc(NC(=O)C3CC3)n2)c1,CID4673629,0.0,,,,0.0,,,,,,,,,,,,
N#Cc1ccc(-c2csc(NC(=O)C3CC3)n2)cc1,CID2447016,0.0,,0.0,,0.0,,0.0,,,0.0,0.0,,,,,,
COc1c([N+](=O)[O-])c(=O)n(-c2ccccc2)c2ccccc12,CID824917,,,,,,,,,,,,,,0.0,0.0,,
COCCNc1c([N+](=O)[O-])c(=O)n(-c2ccccc2)c2ccccc12,CID2920041,,,,,,,,,,,,,,0.0,,,
COc1ccc(C2=C(c3ccc(OC)cc3)NC(=C3C=CC(=O)C=C3)N2)cc1,CID5339436,,,,,,0.0,,,,,,,,,,,
Cc1ccc([N+](=O)[O-])cc1C1=C(c2ccccc2)N/C(=C2/C=CC(=O)C(O)=C2)N1,CID6098488,,,,,,,,,,,0.0,,,,,,
O=C(O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cn1)C2=O,CID1230931,,,,0.0,,,,,,0.0,,,,,0.0,0.0,
O=C1c2ccccc2C(=O)N1c1ccc(Cl)cn1,CID554989,,,,,,,,,,0.0,,,,,,,
COc1cccc(/C=N/Nc2snc(SC)c2C#N)c1,CID4566880,,,,,,0.0,,,,,,,,,,,
COc1ccc(/C=N/Nc2snc(SC)c2C#N)cc1OC,CID3916279,,,,,,0.0,,,,,,,,,,,
COc1ccc(CN2CCN(c3ccccn3)CC2)cc1OCc1ccccc1,CID1376354,,,,,,,,,,,,,,,,0.0,
c1ccc(COc2cccc(CN3CCN(c4ccccn4)CC3)c2)cc1,CID1378308,0.0,,,,,,,0.0,,,,0.0,,,,,0.0
Cc1ccc2nc(SCC(=O)Nc3ccccc3N3CCOCC3)c(C#N)cc2c1,CID3207505,,,,,,,,,0.0,,,,,,,,
N#Cc1cc2ccccc2nc1SCC(=O)Nc1ccccc1N1CCOCC1,CID648877,,,0.0,,,0.0,,,,,,,,,,,0.0
COc1ccc(CN2CCC(N3CCC(C(=O)N4CCOCC4)CC3)CC2)c(F)c1,CID16190299,,,,,,,,,,,,,,,0.0,,
COc1ccc(F)c(CN2CCC(N3CCC(C(=O)N4CCOCC4)CC3)CC2)c1,CID16190806,,,,,,,,,,,,,,,0.0,,
Cc1nc(N2CCOCC2)c2cc(-c3ccccc3)sc2n1,CID711223,0.0,0.0,,0.0,0.0,,0.0,,,0.0,,,,0.0,0.0,,
c1ccc(-c2cc3c(N4CCOCC4)ncnc3s2)cc1,CID711115,0.0,,,0.0,0.0,,0.0,,,,,,,,,,
COc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2nc3c(s2)CCCC3)cc1,CID2947611,,0.0,0.0,,0.0,,0.0,,,,,,0.0,,,,
Cc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2nc3c(s2)CCCC3)cc1,CID2948520,,,,,0.0,,,,,0.0,,,0.0,,,,
CC1(C)CN=C(NCc2ccccc2Cl)S1,CID935473,,,0.0,,,,,,,,0.0,,,,,,
CC1CN=C(NCc2ccc(F)cc2)S1,CID2997276,,,,,,,,,,,,,,0.0,,,
COCC(=O)N(C)C1(c2nnnn2CCOC(=O)Nc2cccc3ccccc23)CCCC1,CID2945616,,0.0,,,,,,,,,,,0.0,,,,
CC(=O)N(C)C1(c2nnnn2CCOC(=O)Nc2cccc3ccccc23)CCCC1,CID2945826,0.0,,,,,,,,,0.0,,,,,,,
Cc1ccc(OCC(=O)NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2C)cc1,CID3167980,,,,,,,,,,,,,,,0.0,,
Cc1ccc(-c2nnc(SCC(=O)NNC(=O)COc3cccc(C)c3)n2C)cc1,CID1735884,,,,,,0.0,,,,,,,,,0.0,,
CCOC(=O)c1cc(C(=O)c2cccs2)n2ccc(C(C)=O)cc12,CID852119,,,,,,,,,,,,0.0,,0.0,0.0,,
Cc1c(C=O)c2ccccn2c1C(=O)c1cccs1,CID2121152,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)n(CCc2nc(-c3ccco3)cs2)n1,CID2372900,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)n(CCc2nc(-c3ccc(C)o3)cs2)n1,CID4442946,,,,,,,,,,,0.0,0.0,,,0.0,,
Cc1ccc(OCC(=O)N2c3ccccc3NC(=O)C2(C)C)c([N+](=O)[O-])n1,CID4884859,,,,,,,,,,,,,,,0.0,,
CC1(C)C(=O)Nc2ccccc2N1C(=O)COc1cccnc1[N+](=O)[O-],CID4875941,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)nc(/N=c2\ssnc2Cl)c1,CID757789,,,,,,,0.0,,0.0,0.0,,,,,0.0,,
Clc1ccc(/N=c2/ssnc2Cl)nc1,CID548573,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)n2nc(SCc3cc(=O)n4c(C)cccc4n3)nc2n1,CID3244824,,0.0,,,0.0,,,,,,0.0,,,,,,
Cc1cc(C)n2nc(SCc3cc(=O)n4ccccc4n3)nc2n1,CID3243806,,,,,0.0,,,,,,,,,,,,
COc1ccc(N(CC(=O)Nc2cc(C)on2)S(=O)(=O)c2cc(C)ccc2C)cc1,CID2114711,,,,,0.0,,,,,0.0,0.0,,,,,0.0,0.0
COc1ccccc1N(CC(=O)Nc1cc(C)on1)S(=O)(=O)c1ccc(Cl)cc1,CID2107925,,,,,,,,,,,,,,,0.0,,
Cc1ncc(CSc2nc3ccccc3[nH]2)c(N)n1,CID579089,,,,0.0,,,,,,,,,0.0,,,0.0,
COc1ccc2nc(SCc3cnc(C)nc3N)[nH]c2c1,CID1249186,,0.0,0.0,0.0,,,,,,0.0,0.0,,0.0,,,0.0,
CCn1nccc1C(=O)Nc1nccs1,CID649902,,,,,,,,,,,,0.0,,,,,
CCn1ncc(Br)c1C(=O)Nc1nccs1,CID891968,0.0,,,,,,,,0.0,,0.0,,,,,,0.0
Cc1cc2cc3c(cc2nc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1)OCO3,CID649904,,,,,0.0,0.0,,,,,0.0,,,,,,0.0
CCc1cc2cc3c(cc2nc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1)OCO3,CID651100,,,0.0,,0.0,0.0,0.0,,,,0.0,0.0,,,,0.0,0.0
CC(C)(C)c1csc(NC(=O)c2ccc3nccnc3c2)n1,CID2477287,,,,,,,,,0.0,,,,,,,,
O=C(Nc1nccs1)c1ccc2nccnc2c1,CID855426,,0.0,0.0,,,,,,,1.0,,0.0,0.0,,,0.0,
CCOc1cc(/C=N/n2cnnc2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1,CID2275138,,,,,,0.0,,,,,,,,,,,
CC(=O)Oc1ccccc1C(=O)Oc1ccc(/C=N/n2cnnc2)cc1,CID1347460,,,,0.0,,,,,,,,,,,,,
CCN1CCn2c1nc(N1CCOCC1)nc2=O,CID1252612,,,,0.0,,,,,,,,,,0.0,,,
CN1CCn2c1nc(N1CCOCC1)nc2=O,CID934965,,0.0,0.0,0.0,,,,,,,,,,,,,
Cc1cn(C(=O)C(C)N2C(=O)c3ccccc3C2=O)c(C)n1,CID2869792,,,,,,,,,,0.0,,,,,,,
Cc1cn(C(=O)CN2C(=O)c3ccccc3C2=O)c(C)n1,CID713644,,,0.0,0.0,,,,,,0.0,,,0.0,,,,0.0
Cc1ccc(C(=O)N2CCC(C(=O)NCc3cccnc3)CC2)cc1,CID796244,,,,,,,,,,0.0,0.0,0.0,,,,,
O=C(NCc1cccnc1)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1,CID1325794,,,,,,,,,0.0,,,,0.0,,,,
CC(C)C(OC(=O)C1=Cc2ccccc2OC1)C(=O)NC1CCCC1,CID3227645,,,,,,,,,,,,,,,0.0,,
O=C(COC(=O)C1=Cc2ccccc2OC1)NC1CCCC1,CID1431932,,,,,,,,,,,,,,,0.0,,
CCN1N=C(c2ccccc2)Cn2c1nc1ccccc12,CID3537199,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C2=NN(C)c3nc4ccccc4n3C2)cc1,CID3846447,,,,,,0.0,,,,,,,,,,,
CC(C)CC(c1nnnn1CC1CCCO1)N1CCN(c2cccc(Cl)c2)CC1,CID644852,,,0.0,,,,,,0.0,,,,0.0,,,,
Cc1ccc(Cl)cc1N1CCN(C(CC(C)C)c2nnnn2CC2CCCO2)CC1,CID649905,,,,,,,,,,0.0,,,,,,,
CC1(C)NC(=O)N(CC(O)COc2ccc(-c3ccc(C#N)cc3)cc2)C1=O,CID644857,,,0.0,,,0.0,,,,,,,,,,,
CC1(C)NC(=O)N(CC(O)COc2ccc(-c3ccccc3)cc2)C1=O,CID647734,,0.0,,,,,,0.0,,0.0,,,,,,,
Cc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCC2CCCO2)C2CCCC2)cc1,CID648692,,0.0,0.0,,0.0,,,,0.0,,0.0,,0.0,,,,0.0
O=C(CN(C(=O)CNS(=O)(=O)c1ccccc1)C1CCCC1)NCC1CCCO1,CID655028,,,0.0,0.0,0.0,,,0.0,0.0,0.0,,,,,,0.0,0.0
Brc1ccc(-c2nnc(-c3ccc4c(c3)OCO4)o2)o1,CID737596,,,,,,,0.0,,0.0,,,0.0,,,0.0,0.0,0.0
c1coc(-c2nnc(-c3ccc4c(c3)OCO4)o2)c1,CID1379853,0.0,,,,,,0.0,0.0,,,,,,,,,0.0
C=CCn1c(/N=C/c2ccc(N(C)C)cc2)nc2ccccc21,CID737592,,0.0,,,,,,,,,,,0.0,,,0.0,
COc1ccc(/C=N/c2nc3ccccc3n2C)cc1OC,CID3245002,0.0,,,0.0,,,0.0,0.0,,,,,0.0,,,,
Cc1ccc(N(C)C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)CC2)cc1,CID11957281,,,,,,0.0,,,,,,,,,,,
Cn1c(=O)oc2cc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(OC(F)(F)F)cc4)CC3)ccc21,CID3244929,0.0,,,,0.0,,,0.0,,,,,,,,,0.0
COC(=O)c1cccc(N(C(=O)CNC(=O)c2ccco2)C(C(=O)NC2CCCC2)c2ccco2)c1,CID653817,,,,,,0.0,,0.0,0.0,,,,,,,,
COC(=O)c1ccc(N(C(=O)CNC(=O)c2ccco2)C(C(=O)NC2CCCC2)c2ccco2)cc1,CID3211401,,,,,,,,,0.0,,,,,,,,
O=S(=O)(Nc1ccc2c(c1)nc1n2CCOC1)c1ccc(Cl)cc1,CID666927,0.0,0.0,0.0,,0.0,0.0,,,,,,,0.0,,,,
O=S(=O)(Nc1ccc2c(c1)nc1n2CCOC1)c1ccccc1,CID667181,,0.0,0.0,0.0,,,,,,0.0,,,,,0.0,0.0,0.0
COc1ccc(N2CCn3c2nc2c3c(=O)n(CCCc3ccccc3)c(=O)n2C)c(OC)c1,CID666926,1.0,,,,,0.0,0.0,,,,,,,,,,
COc1ccc(N2CCn3c2nc2c3c(=O)n(CCCc3ccccc3)c(=O)n2C)cc1,CID665879,0.0,,,0.0,,,,,,,,,,,,,
Cc1cc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)c(C)n1-c1ccccc1,CID1357573,,,,,,,,,,,,0.0,,,,,
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(CN4CCOCC4)cc3)c2C)c1,CID1357876,,,,,,,,,,,,0.0,,,,,
CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccncc1,CID666928,,,0.0,,0.0,,,,,,,,,0.0,,,
C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccncc1,CID3244334,,0.0,,,0.0,,,,,,,,0.0,,,,
CCN1C(=O)c2n[nH]c(C(=O)OC)c2C1=O,CID3239660,,,,0.0,,,,,,,,0.0,,,,,
CCOC(=O)c1[nH]nc2c1C(=O)N(CC)C2=O,CID3236253,,,,,,,0.0,,0.0,,,0.0,,,,,
O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1sc2ccccc2c1Cl,CID2335673,,0.0,0.0,,0.0,,,,,0.0,0.0,,0.0,,,,
O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1sc2cc(F)ccc2c1Cl,CID2434436,,,,,,,,,,,,,0.0,,,,
COc1ccc(/C=C/C(=O)c2ccccc2)cc1COc1ccccc1F,CID5766643,,,,,,,,,,,,0.0,,,,,
COc1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1COc1ccc(F)cc1,CID5729203,,,,,,0.0,,,,,,,,,,,
c1ccc2cc(CN3CCOCC3)ccc2c1,CID783185,,,,,,,,,0.0,0.0,,0.0,,,,,
Cc1cc2ccccc2cc1CN1CCOCC1,CID824203,,,,0.0,,0.0,0.0,,0.0,,0.0,,,,,0.0,
Cc1ccc(C)c(N(CC(=O)NC2CCCC2)C(=O)c2cc3cc4cccc(C)c4nc3s2)c1,CID1457133,,,,,,,,,,,,0.0,,,,,
Cc1ccc2cc3cc(C(=O)N(CC(=O)NC4CCCC4)c4cccc(C)c4C)sc3nc2c1,CID3219077,,,,,,,,,,,,,,,0.0,,
O=C(Cn1c(CN2CCCCC2)nc2ccccc2c1=O)NC1CCCCC1,CID655418,,0.0,,,,,0.0,,,,0.0,,,,,,0.0
CC1CCCCC1NC(=O)Cn1c(CN2CCCCC2)nc2ccccc2c1=O,CID648421,,,0.0,,,0.0,,,,,0.0,,,,,,0.0
COc1ccc(CC(NC(C)=O)C(=O)NC2CCN(C(=O)NCc3ccccc3)CC2)cc1,CID655415,0.0,0.0,,,,,,,0.0,,,,,,,,0.0
COc1ccc(CC(NC(C)=O)C(=O)NC2CCN(C(=O)NCc3ccccc3)CC2)cc1OC,CID647614,,,0.0,,,,,0.0,,,,,0.0,0.0,,,0.0
CCOC(=O)N1CCN(S(=O)(=O)c2cc(OCC(=O)NC3CCCCC3)c(C)cc2Cl)CC1,CID2953847,,,,,,,,,0.0,,0.0,0.0,,,,,
CCN1CCN(S(=O)(=O)c2cc(OCC(=O)NC3CCCCC3)c(C)cc2Cl)CC1,CID2953528,0.0,0.0,,,0.0,,,,0.0,,,0.0,,,,,
O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccccn1,CID1321526,,,,,,,,,,,,,,0.0,,,
CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCC(=O)Nc2ccccn2)C1=O,CID2274868,,,,,,,,,,,,,,0.0,0.0,,
Cc1cccc(N2CCN(C(=O)CN3CCOc4ccccc43)CC2C)c1,CID4668362,,,,,,,,,,,,0.0,,,,,
O=C(CN1CCOc2ccccc21)N1CCN(c2cccc(Cl)c2)CC1,CID4668359,,,0.0,0.0,,,,,,,,,,,,0.0,
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Cl)c2)c2cccc3cccnc23)cc1,CID3521675,,,,,,,,,,,,,,,0.0,,
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(F)cc2)c2cccc3cccnc23)cc1,CID2266240,,,,,,0.0,,,,,,,,,,,
Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1C1CCCCC1,CID1347165,,,,,,,,,,,,,,0.0,,,
Cc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c(C)n1C1CCCCC1,CID938079,,,,,,,,,,,,,,0.0,,,
CCC1CCCCN1CCNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C,CID5307525,,,0.0,,,,,,,,,,,,,0.0,
CC1CCCCN1CCNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C,CID3239276,,,,,,,,,0.0,,,0.0,,,,0.0,
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cn(-c2ccccc2)nc1-c1ccco1,CID2891841,,,,,,,,,0.0,0.0,,,,,,,
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cn(-c2ccccc2)nc1-c1ccco1,CID980133,,,,,,,,,,,,0.0,0.0,,0.0,,
CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)CNC(=O)c2ccccc2Cl)c1C,CID2417851,,,,,,,,,,,,,,0.0,,,
COc1cc(C(=O)NCC(=O)OCC(=O)c2ccc[nH]2)cc(OC)c1OC,CID2998346,,,,,0.0,,,0.0,,,,0.0,,,,,
Cc1nc(NC(=O)c2ccccc2)nc2cc3c(cc12)OCO3,CID1837047,,,,,,,,,,,,,,0.0,0.0,,
Cc1nc(NC(=O)c2ccc(Cl)cc2)nc2cc3c(cc12)OCO3,CID1942336,,,,,,,,,,,,,,,0.0,,
Cc1nc(SCC(=O)c2ccccc2)c([N+](=O)[O-])[nH]1,CID4625864,,,,,,0.0,,,,,,,,,0.0,,
Cc1nc(SCC(=O)c2ccc(F)cc2)c([N+](=O)[O-])[nH]1,CID977387,,,,,,0.0,,,,,,0.0,,0.0,,,
CC(C)(C)c1cc(NC(=O)c2cccnc2)no1,CID1244224,,0.0,,0.0,,,,,0.0,,,0.0,,,,,0.0
Cc1cc(NC(=O)c2cncc(Br)c2)no1,CID715159,,,,,,,,,,,,0.0,,,,,
Nc1ccccc1C(=O)OCCOc1ccccc1,CID657660,,,,,,,0.0,,,,0.0,0.0,,,,,
CCCCS(=O)(=O)CC(COc1ccccc1)OC(=O)c1ccccc1,CID2896216,,,,,,,,,0.0,,0.0,,,,0.0,,
Cc1csc(NC(=O)c2cccn2C)n1,CID2487624,,,,,,,,,,,,0.0,,,,,
Cn1cccc1C(=O)Nc1nccs1,CID2999793,,0.0,,0.0,,0.0,,,,,,,0.0,,,,
COCC(C)n1c(C)cc(C(=O)COC(=O)c2ccc(N3CCCC3=O)cc2)c1C,CID2998212,,,,,0.0,,,,,,,,0.0,,,,
COCCn1c(C)cc(C(=O)COC(=O)c2ccc(N3CCCC3=O)cc2)c1C,CID2128401,,,,0.0,,,,0.0,0.0,0.0,,,,,0.0,,
CCOc1cccc(=O)c2c(C)oc(C)c12,CID539959,,,,,,0.0,,,0.0,,0.0,,,,,,
COc1cccc(=O)c2c(C)oc(C)c12,CID595031,,,0.0,,,,,,,,,,,,0.0,,
O=C1c2cccc3c(N4CCCCC4)ccc(c23)C(=O)N1c1ccccc1O,CID1304074,,,,,,,,,,,,,,0.0,,,
O=C1c2cccc3c(N4CCCCC4)ccc(c23)C(=O)N1c1cccc(O)c1,CID2937718,,,,,,,,,,,,,,0.0,0.0,,
COc1cc(C2C(C#N)=C(N)Oc3n[nH]c(-c4ccncc4)c32)cc(OC)c1OC,CID3243659,,,,0.0,,,,,,,,,,0.0,,,0.0
CCOc1c(OC)cc(C2C(C#N)=C(N)Oc3n[nH]c(-c4ccncc4)c32)cc1OC,CID3240899,,,,,,,,0.0,0.0,,0.0,,,,,0.0,0.0
O=C(NCCN1CCOCC1)c1ccc(=O)oc1,CID662254,,,,0.0,0.0,,,,,,,,,,,,
Cc1cc(=O)oc(C)c1C(=O)NCCN1CCOCC1,CID659434,,,,,0.0,,,,,,,,,,,,
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc4ccc(F)cc4s3)cc2)CC1,CID3242303,,,,,0.0,,,,,,,,,,0.0,,0.0
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc4ccccc4s3)cc2)CC1,CID3238506,,0.0,0.0,,0.0,0.0,,0.0,,,,,,,,,0.0
CC12CCC(C(=O)NCc3ccc(Cl)cc3)(OC1=O)C2(C)C,CID2959690,,,,,,,,,,0.0,,,,,,,
CC12CCC(C(=O)NCc3ccccc3)(OC1=O)C2(C)C,CID2898295,,,,,,,,,,0.0,,,,,,,0.0
CCCOc1ccc(C(=O)C(CN2CCOCC2)c2ccccc2)cc1,CID3102106,,,,,,,,,0.0,,,,,,,,
CCCCOc1ccc(C(=O)C(CN2CCOCC2)c2ccccc2)cc1,CID3102107,,,,,,,,,0.0,,,,,,,,
COc1ccc(CCNS(=O)(=O)c2ccc3c(c2)CC(C)N3C(C)=O)cc1OC,CID3242084,,,0.0,,0.0,0.0,,0.0,,0.0,,,,,,0.0,
COc1ccc(CCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CCC(=O)O)cc1OC,CID3237874,,,,0.0,,,,,,,,,,,,,
Cc1ccc(CCNC(=O)CCNS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)cc1,CID3241650,,0.0,,,0.0,,,,,,,0.0,,,,0.0,
Cn1c(=O)c2cc(S(=O)(=O)NCCC(=O)NCCc3ccc(Cl)cc3)ccc2n(C)c1=O,CID3237253,,,0.0,,0.0,,,,0.0,,,0.0,0.0,,,,
O=c1c2cc(N3CCOCC3)ccc2[nH]c(=S)n1CCCN1CCCCC1,CID3237415,,,0.0,,,,,,,,0.0,,,,,,
CC1CCN(CCCn2c(=S)[nH]c3ccc(N4CCOCC4)cc3c2=O)CC1,CID3239222,,0.0,,,,,,0.0,0.0,,,,,,,,
O=C(NCCc1ccccc1)C1CCCN(S(=O)(=O)c2cccc3nonc23)C1,CID3241659,,,,,,,,0.0,0.0,,,,,,,0.0,0.0
COc1ccc(CCNC(=O)C2CCCN(S(=O)(=O)c3cccc4nonc34)C2)cc1OC,CID3243029,,,,,0.0,,,,0.0,,,,0.0,,,,0.0
COC1=CC(Br)=C/C(=C\NNC(=O)C(C)n2cc([N+](=O)[O-])c(OC)n2)C1=O,CID6033337,,,,,,,,,,,,0.0,,,,,
Cc1cc(C)n(CC(=O)NN/C=C2\C=C([N+](=O)[O-])C=CC2=O)n1,CID5819452,,,,,,,,,,,,,,0.0,,,
Cc1ccc2cc(C)c3nnc(SCC(=O)Nc4nc5c(s4)CCCC5)n3c2c1,CID1153414,,,,,,,,,,,,,,,0.0,,
Cc1ccc2cc(C)c3nnc(SCC(=O)Nc4nc5c(s4)CCCC5)n3c2c1C,CID1153504,,,,,,,,,,,,,,,0.0,,
Cc1c(C(=O)N2CCCCCC2)oc2ccccc12,CID1244297,0.0,,0.0,,,,0.0,,0.0,0.0,,0.0,,,,,
O=C(c1cc2ccccc2o1)N1CCCCCC1,CID977283,,,0.0,,,,0.0,,0.0,0.0,0.0,,,,,0.0,
Cc1cccnc1NC(=O)CSc1nnc(Cc2ccccc2)o1,CID838551,,,,,,,,,0.0,,0.0,,,,,,
O=C(CSc1nnc(Cc2ccccc2)o1)Nc1ccc(Br)cn1,CID2225018,0.0,,,,,,0.0,,,,,,,,0.0,,0.0
O=C(c1ccc([N+](=O)[O-])cc1)n1nc(-c2ccccc2)nc1NCc1ccccc1,CID1295977,,,,,,0.0,,,,,,,,,,,
O=C(c1cccc([N+](=O)[O-])c1)n1nc(-c2ccccc2)nc1NCc1ccccc1,CID2208787,,,,,,,,,,,,,,,0.0,,
O=C(NCc1ccco1)c1cccs1,CID573774,,,,,0.0,,0.0,,,,0.0,,,,,,
O=C(NCc1ccco1)c1ccc(Br)s1,CID1245863,,,,,,,,,0.0,,,,,0.0,,0.0,0.0
Cc1cc(C)nc(NCC(O)CNc2ccccc2C)n1,CID3095134,,,,,,,,,,0.0,0.0,0.0,,,,,
Cc1cc(C)nc(NCC(O)CNc2ccccc2Cl)n1,CID649384,,0.0,,,,,,,,,,,,,0.0,0.0,
CCOC(=O)c1cc(-c2ccc(Cl)cc2)nc2c1c(C)nn2CCC#N,CID2088731,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1cc(-c2ccc(OC)cc2F)nc2c1c(C)nn2CCC#N,CID2421493,,,,,,0.0,,,,,,0.0,,,,,
Cn1/c(=N/C(=O)CSCC(=O)N2CCCCC2)sc2ccccc21,CID3239004,,,0.0,,0.0,,0.0,,,,,,,,,,
CC1CCCN(C(=O)CSCC(=O)/N=c2\sc3ccccc3n2C)C1,CID3242753,,,0.0,,0.0,,,,,,,,,,,,0.0
COc1ccc(CCNC(=O)c2cnc3n(c2=O)CCS3)cc1OC,CID2137751,,,0.0,,,,0.0,0.0,0.0,,,,,,,,
O=C(NCCc1ccc(Cl)cc1)c1cnc2n(c1=O)CCS2,CID4644163,0.0,,,,0.0,,,,,,,,,,,,
COc1ccc(CCNC2=NCCS2)cc1,CID2423956,,,,,0.0,0.0,,0.0,,,,,,,,,0.0
COc1ccc(CCNC2=NCC(C)S2)cc1,CID658531,,,,0.0,0.0,,,,,,,,,,,,
COc1ccc(-c2noc(CCCC(=O)NCc3ccco3)n2)cc1OC,CID666451,,,0.0,,,0.0,,,0.0,,,,,,,,
COc1cc(-c2noc(CCCC(=O)NCc3ccco3)n2)cc(OC)c1OC,CID667406,,,,,,,,,0.0,,,,,,,,
CC(C)CC1NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O,CID4829968,,,,,,0.0,,,,,,,,,,,
CC(C)CC1NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1=O,CID2997547,0.0,,,0.0,0.0,,,,0.0,,,,,0.0,,,
Cn1c(COc2ccc3ccccc3c2)nnc1SCC(N)=O,CID655163,,0.0,,0.0,,,,0.0,0.0,0.0,0.0,,,,,0.0,
Cn1c(COc2ccc3ccccc3c2)nnc1SCC(=O)O,CID649503,,,,0.0,,,0.0,0.0,,,,,,,,0.0,
O=C(Cn1nc(Cl)nc1Cl)Nc1ccccc1,CID648976,0.0,0.0,,,,,,,,,,,,,,,
Cc1cc(Cl)ccc1NC(=O)Cn1cncn1,CID1477643,,,,,,,,,,,,,,,0.0,,
C=C(C)c1nc2cc(OC)c(OC)cc2c(=O)o1,CID695590,,,,,,,,,0.0,,,,,,,,
CCC(CC)c1nc2cc(OC)c(OC)cc2c(=O)o1,CID659042,,,,,,,,,0.0,,,,,,,,
CSc1nc2sc3c(c2c(=O)[nH]1)CCc1ccccc1-3,CID874235,,,,,,,,,,,,,,,0.0,,
C=CCn1c(SC)nc2sc3c(c2c1=O)CCc1ccccc1-3,CID919307,,,,,,,,,,,,,,,0.0,,
Cc1nnc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3)n2-c2ccccc2)s1,CID5143484,,0.0,,,,,,,,,,,,,,0.0,
COc1ccccc1-n1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1nnc(C)s1,CID4295875,,,,0.0,,,,,,,,,,,,,
Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)nc1,CID5309460,,,0.0,,,,,,,,,,0.0,,,0.0,
Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)n1,CID5309303,,0.0,,,,,,0.0,,,,,,,,0.0,
CCCSC1=N/C(=C\c2ccsc2)C(=O)S1,CID2184778,,,,,0.0,,,,,,,,,0.0,,,
C=CCSC1=N/C(=C\c2ccsc2)C(=O)S1,CID2299642,,,,,0.0,0.0,,,,,,,,0.0,0.0,,
CCCCCn1c(Sc2nc3ccccc3s2)nc2c1c(=O)[nH]c(=O)n2C,CID663971,0.0,0.0,0.0,0.0,0.0,,0.0,,,0.0,,,,,,,
CC(C)CCn1c(Sc2nc3ccccc3s2)nc2c1c(=O)[nH]c(=O)n2C,CID655488,0.0,,,,0.0,,,,,0.0,,,,,,,0.0
O=C(Nc1ccc(Cl)cc1)N1CCC(c2nc(-c3cccs3)no2)CC1,CID650447,0.0,0.0,,0.0,0.0,,,,,,,0.0,,,,,0.0
COc1ccc(NC(=O)N2CCC(c3nc(-c4cccs4)no3)CC2)cc1,CID653964,0.0,,,,0.0,,,,,,,,0.0,,,0.0,
O=C(CSc1nnc(-c2ccco2)n1CC1CCCO1)N1CCCCC1,CID650449,,,,,,,,,,,,,,,,0.0,0.0
CC1CCCCN1C(=O)CSc1nnc(-c2ccco2)n1CC1CCCO1,CID645438,,,,,,,,0.0,,,,,,,,0.0,0.0
COc1ccc(-c2nc(NC(=O)CSc3nnc4ccccn34)ns2)cc1,CID984840,,,,,,,,,,,,0.0,,,0.0,,
O=C(CSc1nnc2ccccn12)Nc1nsc(-c2ccccc2)n1,CID2139625,,,,,,,,,,,,,,0.0,,,
O=C(CSc1ccc2ccccc2n1)N1CCC(c2noc3ccc(F)cc23)CC1,CID984844,,,,,,,,,,,0.0,,,,,,
Cc1cc(SCC(=O)N2CCC(c3noc4ccc(F)cc34)CC2)nc2ccccc12,CID2241612,,,,,0.0,,,,,,0.0,,0.0,,,,
O=C(CCn1nnc2ccccc21)N1CCN(c2ccccc2)CC1,CID653134,,0.0,0.0,0.0,,,,,,,0.0,,,,,,
COc1ccc(N2CCN(C(=O)CCn3nnc4ccccc43)CC2)cc1,CID655830,0.0,,,,,,,,,,,,,,,,
O=C(CSc1nnc(-c2ccc(OC(F)F)cc2)o1)NC(=O)NCc1ccco1,CID2681244,,0.0,,,0.0,,,0.0,,,,,0.0,,,,0.0
COc1ccc(-c2nnc(SCC(=O)NC(=O)NCc3ccco3)o2)cc1,CID2579270,,0.0,,,0.0,,,,,,,,0.0,,0.0,,
CCCNC(=O)Cn1cnc2sc(C(=O)Nc3ccc4c(c3)OCO4)c(C)c2c1=O,CID4446135,,,,,,0.0,,,,,,,,,,,
CCn1cnc2sc(C(=O)Nc3ccc4c(c3)OCO4)c(C)c2c1=O,CID3244742,0.0,,,,,,,,0.0,,,,,,,,0.0
O=C(CSc1nc2ccccc2c2nc3ccccc3n12)NCc1ccco1,CID3238872,0.0,,,,,,,0.0,,,,0.0,,,,,
CCC(Sc1nc2ccccc2c2nc3ccccc3n12)C(=O)NCc1ccco1,CID3547036,,,,,,0.0,,,,,,,,,,,
Cc1nc(N2CCCCC2)sc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1,CID2398056,,,,,,,,,,,,,,,0.0,,
Cc1nc(N2CCCCC2)sc1C(=O)c1cccc([N+](=O)[O-])c1,CID2101015,,,,,,,,,,,,,,0.0,0.0,,
O=C(Nc1ccccc1N1CCN(c2ccc(F)cc2)CC1)C1CCCCC1,CID648152,0.0,,,,,0.0,,0.0,,,,,,,,,0.0
O=C(Nc1ccccc1N1CCN(c2ccccc2)CC1)C1CCCCC1,CID654219,0.0,,,,,,,0.0,,,,,,,,,0.0
CCN(C(=O)c1ccco1)c1nc(CC(=O)Nc2ccc(Cl)cc2)cs1,CID648157,0.0,,,,0.0,,,,,0.0,0.0,0.0,0.0,,0.0,,0.0
CN(C(=O)c1ccco1)c1nc(CC(=O)Nc2ccccc2)cs1,CID859497,,,,,,,,,,,0.0,,,,,,
O=C1c2ccccc2C2(c3ccc(Cl)cc3)NCCN12,CID2999410,0.0,0.0,,,,,0.0,,,0.0,,,0.0,,,,0.0
O=C1c2ccccc2C2(c3ccccc3)NCCN12,CID455107,,,,,,,0.0,,,0.0,,,,,,,0.0
COc1ccc(S(N)(=O)=O)cc1C(=O)NCC1(N2CCCCC2)CCCCC1,CID2561314,,,,,0.0,,,0.0,,,0.0,,,,,,
N#Cc1ccc(C(=O)NCC2(N3CCCCC3)CCCCC2)cc1,CID2426982,,,,,,,,,,,,,,,0.0,,
O=C(CSCc1c(F)cccc1Cl)NCCSCc1ccco1,CID2229810,,,,,,,,,,,,,,0.0,,,
O=C(CSCc1ccc(Cl)cc1)NCCSCc1ccco1,CID2289502,,,,,,,,,,,,,,,0.0,,
Cc1cccc(C(=O)NC2CCN(C(=S)NCc3ccco3)CC2)c1,CID3218755,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(=O)NC2CCN(C(=S)NCc3ccco3)CC2)cc1,CID3218753,,,,,,,,,,,,,,,0.0,,
O=C1C2CCCN2C(c2cccnc2)N1c1ccc(Cl)cc1,CID3241328,0.0,,,,,0.0,,,,,,,,,,0.0,
O=C1C2CCCN2C(c2cccnc2)N1c1cccc(Cl)c1,CID5307729,0.0,,,,,,,,,,,,0.0,,,,0.0
CCn1c(C)c(CCC(=O)O)c(=O)n2nc(-c3ccccc3OC)cc12,CID3241323,,0.0,,,,,,,,,,,,,,,
CCOC(=O)CCc1c(C)n(CC)c2cc(-c3ccccc3OC)nn2c1=O,CID3245427,,0.0,,,0.0,,,,,,,,0.0,,,,
Cc1cc(=O)nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)[nH]1,CID1178067,0.0,,0.0,,,,,,,,,,,0.0,,,0.0
Cc1[nH]c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)nc(=O)c1C,CID666380,0.0,0.0,0.0,,,,,0.0,,,0.0,0.0,0.0,,,,0.0
CC1CCc2sc3c(c2C1)c1ncnn1c(=O)n3CC(=O)c1ccc(Br)cc1,CID2983295,,,,,,,0.0,,0.0,,0.0,,,,,0.0,0.0
O=C(Cn1c(=O)n2ncnc2c2c3c(sc21)CCCC3)c1ccccc1,CID1506300,,,,0.0,,,0.0,,0.0,0.0,,,,,,0.0,
Brc1cccc(-c2nnc(SCc3nc4ccccc4[nH]3)o2)c1,CID645680,,,,,,,,,,,,,,,,0.0,0.0
c1ccc(-c2nnc(SCc3nc4ccccc4[nH]3)o2)cc1,CID156524,0.0,0.0,,,0.0,,,0.0,,,,,0.0,,,0.0,
CC(C)n1c(Sc2nccn2C)nc2c1c(=O)n(C)c(=O)n2C,CID645685,,0.0,0.0,0.0,0.0,,,,,,,,0.0,,,,
Cn1ccnc1Sc1nc2c(c(=O)n(C)c(=O)n2C)n1C,CID650036,,0.0,,0.0,0.0,,,,0.0,0.0,,,,,,,
CCOc1ccc(CN(C)C(=S)NCCc2ccccc2)cc1OC,CID2444364,,,,,,,,,,,,,,,0.0,,
COc1ccc(CN(C)C(=S)NCCc2ccccc2)c(OC)c1OC,CID2444158,,,,,,,,,,,,,,,0.0,,
O=c1[nH]c2ccccc2nc1Cc1ccccc1,CID659725,,0.0,,0.0,0.0,0.0,,,,0.0,,0.0,,,,0.0,0.0
O=c1[nH]c2ccccc2nc1C(Cl)c1ccccc1,CID4262889,,,,,,,,,,0.0,,,,,,,
Cc1c(C(=O)N2CCN(C)CC2)oc2ccc(S(=O)(=O)N3CCOCC3)cc12,CID3237960,,0.0,,,,,0.0,,,,,,,0.0,,,
CCOC(=O)N1CCN(C(=O)c2oc3ccc(S(=O)(=O)N4CCOCC4)cc3c2C)CC1,CID3238756,,,0.0,,,,,,,,,,,,,,
CCN1CCN(c2ccc(NC(=O)c3cccnc3)cc2Cl)CC1,CID651510,0.0,,0.0,,,,0.0,,,,,,,,,0.0,
CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3cccnc3Cl)cc2)CC1,CID1087180,,,,,,,,,0.0,,0.0,,,,,,
Cc1cccc(NC(=O)CN2NS(=O)(=O)c3ccccc3C2=O)c1,CID2532737,,,,,,,,,,,,0.0,,0.0,,,
N#Cc1cccc(NC(=O)CN2NS(=O)(=O)c3ccccc3C2=O)c1,CID2576860,,,,,,,,,0.0,,,,,,,,
COc1ccccc1NC(=O)C(=O)N/N=C/c1cccs1,CID2063708,,,,,,,,,,,,,,0.0,,,
O=C(N/N=C/c1cccs1)C(=O)Nc1cccc(Cl)c1,CID1713041,,,,,,,,,,,,,,,0.0,,
O=C(Oc1ccc(Cl)cc1N1C(=O)CCC1=O)c1ccco1,CID930620,,0.0,,0.0,,,,,,,,,,,,0.0,0.0
O=C(Oc1ccccc1N1C(=O)CCC1=O)c1ccco1,CID661881,,,,,,,,,,0.0,,,,,,0.0,
Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccccc2)cc1,CID902576,,,,,,,,,,,,,,,0.0,,
CCc1ccccc1NC(=O)c1ccc(-n2c(C)ccc2C)cc1,CID748196,,,,,,0.0,,,,,,0.0,,,,,
Cc1cc(N2CCCC2)ccc1/C=C1/C(=O)N(C)C(=S)N1C,CID890149,,,,,,,,,,,,,,0.0,,,
CCCN1C(=O)/C(=C/c2ccc(N3CCCC3)c(C)c2)NC1=S,CID5400800,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1nn(-c2ccc(OCC)cc2)c2nc(CC(C)C)c(C#N)c(=O)n12,CID1234440,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1nn(-c2ccc(Cl)cc2)c2nc(CC)c(C#N)c(=O)n12,CID1234419,,,,,,,,,,0.0,,,,,,,
CC/C(=C\C(=O)c1cccnc1)Nc1ccc(C)c(C)c1,CID5389131,,,,,,,,,,,,,,,,,0.0
C/C(=C\C(=O)c1cccnc1)Nc1ccc(C)c(C)c1,CID5310921,,,,,,0.0,,,,,,,,,,,
COc1ccccc1N1C(=O)NC(=O)/C(=C\NCCCn2ccnc2)C1=O,CID5389138,,,,,,,,0.0,,,,,,,,,
COc1ccc(N2C(=O)NC(=O)/C(=C\NCCCn3ccnc3)C2=O)cc1,CID6091166,,,,,,,,,,,,0.0,,,,,
O=C1CC(SCCc2nc3ccccc3[nH]2)C(=O)N1c1ccc(Cl)cc1,CID2952674,,,,,,,,,,,,0.0,,,,,
COc1ccc(N2C(=O)CC(SCCc3nc4ccccc4[nH]3)C2=O)cc1,CID2960713,,,,,,0.0,,,,,,,,0.0,,,
CCOC(=O)C1C(=O)CC(C)(O)C(C(=O)OCC)C1c1ccc(C)s1,CID2952677,,,,,,,,,0.0,,,,,,,,
CCOC(=O)C1C(=O)CC(C)(O)C(C(=O)OCC)C1c1cccs1,CID2924668,,,,,,,0.0,,,,,,0.0,,,,
CCOc1ccc(OCC)c(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CCC2)c1,CID9551235,,,,,,,,,,0.0,,,,,,,
CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CCC2)cc1,CID9550288,,,,,,,,,0.0,,,,,,,,
CCOc1cc(/C=C2/SC(=S)NC2=O)ccc1OC(=O)c1ccco1,CID1367790,,,,,,,,,,,,,,,0.0,,
COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OC(=O)c1ccco1,CID2262468,,,,,,0.0,,,,,,,,0.0,,,
CC(C)c1cc(NCCN2CCOCC2)n2c(nc3ccccc32)c1C#N,CID661025,,,,,,,,0.0,,,,,,,,,0.0
Cc1cc(NCCN2CCOCC2)n2c(nc3ccccc32)c1C#N,CID743371,,0.0,,,,,0.0,0.0,,,0.0,,,,,,
COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)C1,CID754863,,,,,,,,,,,,,,0.0,,,
COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)C1,CID754865,,,,,,0.0,,,,,,,,0.0,,,
CC1CCN(C(=O)C(C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)CC1,CID3145643,,,,,,,,,,0.0,,,,,,,
CC(Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1CCC(C(N)=O)CC1,CID649304,,0.0,,,0.0,,,,,0.0,,,,,,,0.0
CCOC(=O)C1C(c2cccs2)NC(=O)NC1(O)C(F)(F)F,CID2999867,0.0,,,,,,0.0,,0.0,,,,,,,,
CCOC(=O)C1C(c2cccs2)NC(=O)N(C)C1(O)C(F)(F)F,CID2921833,,,,,,,,,0.0,,,,,,,,
COc1ccc2c(Cl)c(C(=O)NCCCn3ccnc3)sc2c1Cl,CID4878538,,,,,,,,,,,,,,0.0,,,
COc1ccc2c(Cl)c(C(=O)NCCCn3ccnc3)sc2c1,CID2970480,0.0,0.0,0.0,0.0,0.0,,,,,,,0.0,,,,,0.0
O=C(c1ccccc1)N1CCCC(C(=O)N2CCCCCC2)C1,CID662599,0.0,,,0.0,,,,0.0,,,,,0.0,,,,
O=C(c1cccc(Cl)c1)N1CCCC(C(=O)N2CCCCCC2)C1,CID662429,,0.0,0.0,,0.0,,,,,,,,,0.0,,0.0,0.0
CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1cnccn1,CID662597,,,,0.0,0.0,,,0.0,,,0.0,,,,,,
Cn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1cnccn1,CID1978135,,0.0,0.0,,0.0,,,,,,0.0,,0.0,,,0.0,
O=C1CC(c2ccccc2)CC(=O)C1=CNCCN1CCN(C(=O)Nc2ccccc2)CC1,CID662592,,,0.0,,,,,,,,,,,,,,0.0
O=C1CC(c2ccc(F)cc2)CC(=O)C1=CNCCN1CCN(C(=O)Nc2ccccc2)CC1,CID662852,,0.0,0.0,,,,,,,,,,0.0,,,0.0,
C=CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2ccco2)nc1C,CID3683859,,,,,0.0,,0.0,0.0,,,,,,,,0.0,
CC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2ccc(C)o2)nc1C,CID4524563,,,,,,,,,,,,,0.0,,,0.0,
O=C1C(c2ccc(F)cc2)N(Cc2ccc3c(c2)OCO3)C(=O)CN1C1CCCCC1,CID3237596,,,,,,,0.0,,,,,,,,,,0.0
COc1ccc(C2C(=O)N(C3CCCCC3)CC(=O)N2Cc2ccc3c(c2)OCO3)cc1,CID3239999,,,,,0.0,,,,0.0,,,,,,,,0.0
CCOc1cc(/C=C2\C(=O)N(Cc3ccco3)C(C)=C2C(=O)OC)ccc1O,CID1330056,,,,,,,,,,,,,,,0.0,,
COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1ccc(N(C)C)cc1,CID1746835,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C1CCCn2c1nc1sc3c(c1c2=O)CCCC3,CID2830700,,,,,,,0.0,0.0,,,,,,,,,
O=c1c2c3c(sc2nc2n1CCCC2)CCCC3,CID621369,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccc(N2CCOCC2)cc1)c1cccnc1,CID779028,,,,,,,,,,,,0.0,,,,,
O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1cccnc1,CID647630,0.0,,,,,,0.0,,,,,,0.0,,,,
COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)COc2ccccc2OC)c(OC)c1,CID3236155,,,,,,0.0,,,,,0.0,,0.0,,,,
COc1cccc(OCC(=O)Nc2c(C(=O)Nc3ccc(OC)cc3OC)oc3ccccc23)c1,CID3243182,,,0.0,,,,,,,,,,0.0,,,,
O=S(=O)(Nc1nc2ccccc2s1)c1ccc(Cl)s1,CID893880,,,,,,,,,,,,,,0.0,,,
O=S(=O)(Nc1nc2ccccc2s1)c1ccc(Br)s1,CID1319493,,,,,0.0,,,,0.0,,,,,,,,
COc1ccc(N2CCN(C3CC(=O)N(Cc4ccc(N5CCCC5=O)cc4)C3=O)CC2)cc1,CID661804,,,,,,,0.0,,0.0,,,,0.0,,,,
O=C1CC(N2CCN(c3ccc(F)cc3)CC2)C(=O)N1Cc1ccc(N2CCCC2=O)cc1,CID2950867,0.0,,,,,,0.0,,,,,,,,,,
CCOC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CCN1CCN(C(=O)OCC)CC1,CID661806,0.0,,,,,,,,0.0,,,,,,,0.0,0.0
CCOC(=O)c1[nH]c2ccccc2c1NC(=O)CCN1CCN(C(=O)OCC)CC1,CID661584,,,,,,,,0.0,,,0.0,,,,,0.0,
Cc1ccc(C)c(NC(CC(=O)c2ccccc2)C(=O)OCC(=O)c2cccs2)c1,CID2931822,,,,,,,,,,,,,,0.0,,,
O=C(CC(Nc1ccccc1Cl)C(=O)OCC(=O)c1cccs1)c1ccccc1,CID2933627,,,,,,0.0,,,,,,,,,,,
O=C(OCC(=O)N1CCc2ccccc2C1)c1cccs1,CID2361483,,,,,,,,,,,,,,0.0,,,
Cc1ccsc1C(=O)OCC(=O)N1CCc2ccccc2C1,CID2373980,,,,,,,,,,,,,,0.0,,,
COc1cc(NC(=O)C2CCCCN2)ccc1OCC(C)C,CID664358,0.0,,,0.0,,,,,,,,,,,,,
COc1ccc(NC(=O)C2CCCCN2N)cc1OC,CID2894140,,,,,,,,,,,,0.0,,,,,
Cc1ccc(-c2nnc(N3CCN(C(=O)CN4CCOCC4)CC3)c3ccccc23)cc1,CID664359,0.0,0.0,,0.0,,,0.0,,,0.0,,0.0,,,,,0.0
O=C(CN1CCOCC1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1,CID2952305,0.0,,,,,,0.0,,,0.0,0.0,,,,,,
COc1ccccc1-n1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1nccs1,CID3309473,,0.0,0.0,,,0.0,,,,,,,,,,0.0,
Cc1ccc(C)c(-n2c(CNC(=O)c3ccco3)nnc2SCC(=O)Nc2nccs2)c1,CID3237712,,0.0,,,,0.0,,,0.0,0.0,,0.0,,,,0.0,0.0
Cc1ccccc1CSCC(=O)N/N=C/c1cccs1,CID787725,,,,,,,,,,,,,,0.0,,,
Cc1ccsc1/C=N/NC(=O)CSCc1ccc(Cl)cc1,CID839740,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)NCCSc2ccccn2)cc1,CID2874292,,0.0,,,0.0,,0.0,,,,,,0.0,,,,0.0
O=C(NCCSc1ccccn1)c1ccc(Cl)cc1,CID3117810,,,,,,,,,,,,,,0.0,,,
O=S(=O)(O/N=C1\CCCc2ccccc21)c1ccc(Cl)cc1,CID3850205,,,,,,,,,,,,0.0,,,,,
Cc1ccc(S(=O)(=O)O/N=C2\CCCc3ccccc32)cc1,CID236126,,,,,,,,,,,,,,,0.0,,
CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2N2CCc3ccccc3C2)cc1,CID2464939,,,,,,,,,,,,,,,0.0,,
O=S(=O)(Nc1nc2ccccc2nc1N1CCc2ccccc2C1)c1ccc(Cl)cc1,CID2096996,,,,,,,,,,,,,,,0.0,,
C/C(=N\NC(=O)c1c[nH]c2ccccc12)c1ccco1,CID807650,,,,,,0.0,,,,,,,,,,,
C/C(=N\NC(=O)c1c[nH]c2ccccc12)c1ccc(C)o1,CID840391,,,,,,0.0,,,,,,0.0,,,,,
COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CNC(=O)CN1CCOCC1,CID1289825,,,,,,,0.0,,,,,,,,,,0.0
Cc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CNC(=O)CN1CCOCC1,CID1287206,,,,,,,0.0,,,,0.0,,0.0,,,,
CN(C)c1nc(OCCOC(=O)COc2ccc(Cl)cc2Cl)nc(N(C)C)n1,CID652577,0.0,,,,,,,,,,,,0.0,,,,
CCNc1nc(NCC)nc(OCCOC(=O)COc2ccc(Cl)cc2Cl)n1,CID1893751,,,,,,,,,,,,0.0,,,,,
COc1cc(C(=O)NC2CC3CCCC(C2)N3C2CC2)cc(OC)c1OC,CID652570,,,0.0,,,,0.0,,0.0,0.0,,,,,,,0.0
CCOc1ccccc1C(=O)NC1CC2CCCC(C1)N2C1CC1,CID651186,,,0.0,,,,,,0.0,,,,,,,,0.0
O=C(c1cn(Cc2ccccc2)c2ccccc12)C1CC1,CID965838,,,,,,,,,,,,,,,0.0,,
N#Cc1ccccc1Cn1cc(C(=O)C2CC2)c2ccccc21,CID654258,0.0,,0.0,,,,,,0.0,,,,0.0,,0.0,,
Cc1ccc(CC2CC(=O)N(c3ccncc3)C2=O)cc1,CID654939,0.0,,0.0,,,,,,,,0.0,,,,0.0,,
O=C1CC(Cc2ccc(Cl)cc2)C(=O)N1c1ccncc1,CID2956902,,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1sc2nc(C3CC3)cc(-c3ccc(OC)cc3)c2c1N,CID1068681,,,,,,,,,,,,,,,0.0,,
N#Cc1sc2nc(C3CC3)cc(-c3ccc(Cl)cc3)c2c1N,CID790989,,,,,,,,,,,,,,0.0,,,
CCn1c(NC(=O)c2cccc(Cn3cc(Cl)cn3)c2)nc2ccccc21,CID5142655,0.0,0.0,,,,,0.0,,,,0.0,,,,,,
Cn1c(NC(=O)c2cccc(Cn3cc(Cl)cn3)c2)nc2ccccc21,CID1314911,0.0,,0.0,,,,,,,,0.0,,0.0,,,,
Cc1cccc(-c2nnn3c2nc(NCCc2ccc(S(N)(=O)=O)cc2)c2ccccc23)c1,CID2138543,,,,,,,,,,,,,,,0.0,,
NS(=O)(=O)c1ccc(CCNc2nc3c(-c4cccc(F)c4)nnn3c3ccccc23)cc1,CID2140952,,,,,,,,,,,,,,0.0,,,
COc1ccccc1/C=N/Nc1nccnc1Cl,CID2842152,,,,,,0.0,,,0.0,,,,,,,,
O=[N+]([O-])c1ccccc1/C=N/Nc1nccnc1Cl,CID2842163,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1nc(-c2ccc3c(c2)OCO3)[nH]c1C,CID5308675,,,,0.0,,,,0.0,,0.0,,,,,,0.0,
CC(=O)c1c(C)nc(-c2ccc3c(c2)OCO3)n1O,CID907161,,,,0.0,,,,,,0.0,,,,,,0.0,
Cc1ccc2nc(-c3cccc(NC(=O)c4ccc5c(c4)OCCO5)c3)oc2c1,CID653288,,,,,,0.0,,,,,,0.0,0.0,0.0,,,
Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)c1ccc2c(c1)OCCO2,CID1362653,,,,,,0.0,,,,,,,,,,,
COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)N3CCOCC3)n2)cc1OC,CID1165981,0.0,,,,0.0,,,,,,,,,,,,0.0
COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)N3CC(C)OC(C)C3)n2)cc1OC,CID654299,,,,,0.0,,,0.0,,,,,,,,,0.0
O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)C1CCCCC1,CID653284,0.0,0.0,,,,,,0.0,,0.0,0.0,0.0,,,,,0.0
O=C(NC1CCN(C(=O)Nc2cccc(F)c2)CC1)C1CCCCC1,CID655764,,,0.0,0.0,,,,0.0,,,,0.0,,,,,
CC1CC(C)CN(CCCNC(=O)C2CCC(=O)N2C2CCCC2)C1,CID3240553,,,0.0,,,,0.0,,,,,,,,,,
CC1CCN(CCCNC(=O)C2CCC(=O)N2C2CCCC2)CC1,CID3243111,0.0,,,,,,,0.0,,,,,,,,,0.0
CCc1cccc2c(C=C(C#N)C#N)cn(CC(=O)N3CCCCCC3)c12,CID1082583,,,,,,,,,,,,0.0,,,,,
COC(=O)c1cn(CC(=O)N2CCCCCC2)c2ccccc12,CID848122,0.0,,,,0.0,,0.0,,,,,0.0,,0.0,,,0.0
CNc1nc2[nH]c(=O)c3c(c2s1)OC(N)=C(C#N)C3c1cccc(F)c1,CID3643063,,,,,,,,,,,,0.0,,,,,
CCNc1nc2[nH]c(=O)c3c(c2s1)OC(N)=C(C#N)C3c1ccc(C)cc1,CID5146290,,,,,,,,,,,,,,,0.0,,
CCn1c(CSc2nc(C)cc(C)n2)nnc1SCC(=O)Nc1nc(-c2ccccc2)cs1,CID651614,,,,,0.0,,0.0,,,,,0.0,,,,,
Cc1cc(C)nc(SCc2nnc(SCC(=O)Nc3nc(-c4ccccc4)cs3)n2C)n1,CID3143516,,,,,,,,,,,,0.0,,,,,
CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccccc1,CID1082589,,,,0.0,,,,,,,,,,,,,
CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccc(Cl)cc1,CID2224251,0.0,0.0,,,0.0,,,,,0.0,,,,,,,0.0
CC1CN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC(C)O1,CID4779888,,,,,,,,,,0.0,,0.0,,,,,
O=S(=O)(c1ccc(N2CCOCC2)nc1)N1CCOCC1,CID4438624,,,,,,,,,,,0.0,,,,,,
Cc1cccc(N2CCN(C(=O)c3ccc4ncsc4c3)CC2)c1C,CID2102399,,,,,,,,,,,,,,0.0,,,
O=C(c1ccc2ncsc2c1)N1CCN(c2ccc(O)cc2)CC1,CID2454955,,,,,,,,,,,,0.0,,,,,
O=C(CSc1nnc(Cc2cccs2)n1-c1ccccc1)NCc1ccc2c(c1)OCO2,CID1292784,,,0.0,0.0,,,,,,0.0,0.0,,,0.0,,,
O=C(CSc1nnc(Cc2cccs2)n1-c1ccc(Cl)cc1)NCc1ccc2c(c1)OCO2,CID2482266,,,,,,,,,,0.0,,,,,,,
O=C(O)C(Cc1ccccc1)N1Cc2ccccc2C1=O,CID5309580,,,,,,,,,0.0,,,,,0.0,,,
CC1(O)c2ccccc2C(=O)N1CCc1ccccc1F,CID3237528,,,,0.0,,,,0.0,,,,,0.0,,,,
Cc1ccc(S(=O)(=O)C2(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1,CID5309584,,0.0,,,,,,,,,,,,,,,
O=C(Nc1ccc2c(c1)OCO2)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1,CID3236791,0.0,,,0.0,,,,,,,,,0.0,,,,
Cc1ccc(NCc2nnc(SCC(=O)N(Cc3ccccc3)C(C)(C)C)o2)c(C)c1,CID649516,0.0,,,,,,0.0,,,,,,,,,,
CC(C)(C)N(Cc1ccccc1)C(=O)CSc1nnc(CNc2ccc(F)cc2)o1,CID655520,,,,,0.0,,,,,,,,,,,0.0,
Cc1ccc(-n2nnnc2-c2cnoc2-c2cccc(F)c2)cc1,CID735591,,,,,,,,,,,,,,0.0,,,
Fc1cccc(-c2oncc2-c2nnnn2-c2ccc(Cl)cc2)c1,CID719320,,,,,,,,,0.0,,,,,,,,
CCCSC1=C(C#N)C(c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N1,CID2835594,,,,,,,,,0.0,,,,,,,,
CC1=C(C(=O)Nc2ccccc2)C(c2cccs2)C(C#N)=C(SCC#N)N1,CID658112,0.0,0.0,0.0,,,,,,,,,,0.0,,,,
O=C(O)CN1C(=O)CCS(=O)c2ccccc21,CID5307387,,0.0,,,,,,,,0.0,,,,,,,
COC(=O)CN1C(=O)CC(C)(C)S(=O)c2ccccc21,CID5308732,,,,,,,,,,,0.0,,,0.0,,,
CCOC(=O)C1CCCN(C(=O)C2CCN(S(=O)(=O)CC)CC2)C1,CID3243463,,,,0.0,,,,,,,,,,,,0.0,0.0
CCOC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)CC)CC2)CC1,CID3238413,,,,,,,,0.0,,,,,0.0,,,0.0,0.0
O=C(NC1CCCCCC1)c1cccc(N2CCCC2=O)c1,CID3243461,0.0,,,,0.0,,,0.0,,,,,,,,,
Cc1ccc(C(=O)NC2CCCCCC2)cc1N1CCCC1=O,CID3244169,0.0,,,,,0.0,,,0.0,,,,,,,,
CCC1C(=O)N=C(SCC(=O)NC2CCCCC2)NC1=O,CID2894446,,,,,,,,,,,,,,0.0,,,
CC(=O)NC1C(=O)N=C(SCC(=O)NC2CCCCC2)NC1=O,CID646716,,,,,,,,,,0.0,0.0,,,,,0.0,
O=C(O)c1ccc2c(c1)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O,CID2207412,,,,,,0.0,,,,0.0,,,,,0.0,,
O=C1c2ccccc2C(=O)N1Cc1ccc2c(c1)OCO2,CID714424,,,,,,,0.0,,0.0,0.0,0.0,,0.0,0.0,0.0,,
CCN(CCCNC(=O)c1[nH]c(C)c(C(C)=O)c1C)c1ccccc1,CID3243469,,,0.0,0.0,0.0,,,0.0,,,,,,,,,
CCN(CCCNC(=O)c1[nH]c(C)c(C(C)=O)c1C)c1cccc(C)c1,CID3244070,,,,,0.0,0.0,,,,0.0,0.0,,,,,,0.0
O=C(O)C1CCN(C(=O)OCc2ccccc2)CC1,CID736489,,,,,,,,,,,,,,0.0,0.0,,
NC(=O)C1CCN(C(=O)OCc2ccccc2)CC1,CID2776131,,,,,,,,,,,,,,,0.0,,
CCCc1cc(=O)oc2cc(OCC(=O)NCc3cccs3)ccc12,CID2574630,,,,,,,,,,,,,,0.0,,,
Cc1c(Cl)c(=O)oc2cc(OCC(=O)NCc3cccs3)ccc12,CID2516868,,,,,,,,,,,,,,0.0,,,
CCN(CC)CCN/C=C1\C(=O)NC(=O)N(CCC2=CCCCC2)C1=O,CID5389484,,,0.0,0.0,,,,0.0,,,,0.0,,,,,
CN(C)CCN/C=C1/C(=O)NC(=O)N(CCC2=CCCCC2)C1=O,CID5310747,,,,,,0.0,,,,,,,,,0.0,,
COc1ccc2nc(NC(=O)C3CCCN(S(=O)(=O)c4cccc5nsnc45)C3)sc2c1,CID3241825,,,,,0.0,,,,,,,0.0,,,,,0.0
Cc1ccc2nc(NC(=O)C3CCCN(S(=O)(=O)c4cccc5nsnc45)C3)sc2c1,CID3240555,,,,,0.0,,,,,,,,,,,,
CCOC(=O)N1CCN(C(=O)C(CC)n2nc(C)c3sc4ccccc4c3c2=O)CC1,CID3241821,,0.0,,,,,,,,,0.0,,,,,,0.0
CCOC(=O)N1CCN(C(=O)Cn2nc(C)c3sc4ccccc4c3c2=O)CC1,CID3241223,,0.0,,0.0,,,,,,,,,,,,,0.0
Cc1cccc(S(=O)(=O)NCCC(=O)OC(C)C(=O)NC(=O)NC2CCCCC2)c1,CID2998645,,,,0.0,0.0,,,,0.0,,0.0,,,,0.0,,
O=C(COC(=O)CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)NC(=O)NC1CCCCC1,CID4009574,,,,,,,,,,,,0.0,,,,,
O=C(CN1C(=O)C2CC=CCC2C1=O)Nc1nc2ccccc2[nH]1,CID2998644,,0.0,,,,,,,,,,,0.0,0.0,,,
CC(C(=O)Nc1nc2ccccc2[nH]1)N1C(=O)C2CC=CCC2C1=O,CID3000132,,0.0,,,,,,,,,,,,,,,
Cc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)N2CCN(c3ccccc3)CC2)cc1,CID3241829,0.0,,,,,,,,,,,,,0.0,,,
Cn1cccc1Cc1nnc(SCC(=O)N2CCN(c3ccccc3)CC2)n1-c1ccc(F)cc1,CID3237677,0.0,,,,,,,,,,,0.0,,0.0,,,
CCOc1cc2[nH]c(=S)n(CCCN3CCN(C)CC3)c(=O)c2cc1OCC,CID3241828,,,0.0,,,,,,,0.0,,,,,,,
CCN1CCN(CCCn2c(=S)[nH]c3ccccc3c2=O)CC1,CID2174387,,,0.0,0.0,,0.0,,,,,,,,,,,
COc1ccc2nc(NCCCNC(=O)c3cc(OC)c(OC)c(OC)c3)c(C#N)cc2c1,CID647126,,,,,,0.0,0.0,,,,,,,,,,0.0
COc1cc(C(=O)NCCCNc2nc3cc(C)cc(C)c3cc2C#N)cc(OC)c1OC,CID3221701,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1[nH]nc2c1C(=O)N(Cc1ccccc1)C2=O,CID3242734,,,,,,,,0.0,,,,,,,,,
COC(=O)c1[nH]nc2c1C(=O)N(Cc1ccccc1)C2=O,CID3237793,,,0.0,,,,,,,,,,0.0,,,,
Cc1ccc(CS(=O)(=O)CCC(=O)NCC2CCCO2)cc1,CID3237021,,,,,,,0.0,0.0,0.0,,,,,,,0.0,
O=C(CCS(=O)(=O)Cc1ccccc1)NCC1CCCO1,CID2974815,,,0.0,0.0,,,0.0,,0.0,0.0,0.0,0.0,0.0,,,0.0,
O=c1c2c3c(sc2n2cnnc2n1Cc1ccccc1)CN(Cc1ccccc1)CC3,CID658958,0.0,,0.0,0.0,,,0.0,,,,,,,,,,0.0
Cc1nnc2n(Cc3ccccc3)c(=O)c3c4c(sc3n12)CN(Cc1ccccc1)CC4,CID657922,0.0,,,,,0.0,,,,,0.0,,,,,,
COCCNC(=O)CN1C(=O)CSc2cc(S(=O)(=O)N3CCCCCC3)ccc21,CID3553889,,,,,0.0,,,,0.0,,,,,,,,
CCOCCCNC(=O)CN1C(=O)CSc2cc(S(=O)(=O)N3CCCCCC3)ccc21,CID3245014,,,,,0.0,0.0,,,,,,,,0.0,,0.0,
CCN1C(=O)N/C(=C/c2ccc(Sc3ccc(C)cc3)o2)C1=O,CID6538519,,,,,,0.0,,,,,,,,,,,
O=C1NC(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)N1,CID1121017,,,,,,,,,,0.0,,,,,,,
Cc1ccc(OCC(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3Cl)c2)cc1,CID1348872,,,,,,,,,,,,,,,0.0,,
O=C(COc1ccccc1Cl)NC(=S)Nc1cccc(NC(=O)c2ccccc2Cl)c1,CID1016499,,,,,,,,,,,,,,,0.0,,
CCC1CCCCN1C(=O)Cn1c(=O)n(CCC(=O)NCc2ccco2)c(=O)c2sccc21,CID3236991,,,,,0.0,,,,,,0.0,,,,,,
CC1CCCCN1C(=O)Cn1c(=O)n(CCC(=O)NCc2ccco2)c(=O)c2sccc21,CID3244026,,,,0.0,0.0,0.0,,,,,,,,,,,0.0
O=C(c1ccccc1)c1cccn1CC(=O)N1CCCCCC1,CID3236990,0.0,,,0.0,,0.0,0.0,,0.0,,,,,,0.0,,
Cc1ccccc1C(=O)c1cccn1CC(=O)N1CCCCCC1,CID3239388,0.0,,,,,0.0,,0.0,0.0,,,0.0,0.0,,,,
Cc1ccc2c(c1)N(CC(=O)NCc1ccco1)C(=O)CO2,CID866253,,,,,,,,,,0.0,,0.0,,,,,
CCC1Oc2ccccc2N(CC(=O)NCc2ccco2)C1=O,CID3155022,,,,,,,,,,,,,,0.0,,,
Cc1cccc(NC(=O)C2CC(=O)n3cnnc3S2)c1,CID2936650,,,,,,,,,0.0,0.0,0.0,,,,,,
COc1cccc(NC(=O)C2CC(=O)n3cnnc3S2)c1,CID661822,,0.0,,0.0,,,,,0.0,,,0.0,,,,,0.0
Cc1nc(OCc2ccccc2)c2ccccc2n1,CID826263,,,,,,,,,,,,,,0.0,,,
O=[N+]([O-])c1ccc(COc2ncnc3ccccc23)cc1,CID2089504,,,,,,,,,,,,,,0.0,,,
O=C(Nc1cc2ccccc2oc1=O)C1CCCCC1,CID4117727,,,,,,,,,0.0,,,,,,,,
COc1ccc2oc(=O)c(NC(=O)C3CCCCC3)cc2c1,CID3244777,,,,,,,,0.0,,,,,,,,,
CC1(C)NC(=O)N(CCSc2ccc(Cl)cc2)C1=O,CID973497,,,,,,,,,,,,,,0.0,,,
Cc1ccc(SCCN2C(=O)NC(C)(C)C2=O)cc1,CID973322,,,,,0.0,,0.0,0.0,,0.0,,0.0,,,,,0.0
CN(CC(=O)N1CCc2ccccc21)S(=O)(=O)c1ccc(Cl)cc1,CID1301415,0.0,,,,0.0,,,,,0.0,,,0.0,,,,0.0
Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCc3ccccc32)cc1,CID925199,,0.0,0.0,0.0,,,0.0,,0.0,,,0.0,0.0,,,,
CCOC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)C2c2ccncc2)c1C,CID5389814,,0.0,,,,,,,,,,,,,,,
CCOC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCCN(C)C)C2c2ccncc2)c1C,CID5988082,,,,,,,,,,,,,,,0.0,,
CCCOc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCOC)C23C(=O)N(C)c2ccccc23)cc1,CID5389817,,,,,,,,0.0,,,,,,,,,
CCCOc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCN(C)C)C23C(=O)N(C)c2ccccc23)cc1,CID5389855,,,,,,,0.0,0.0,,,0.0,,0.0,,,,
Cc1ccc(C)c2c(SC(C)C(=O)NCc3ccco3)nc(-c3ccccc3)nc12,CID3227177,,,,,,,,,,,0.0,,,,,,
Cc1ccc2c(SCC(=O)NCc3ccco3)nc(-c3ccc(F)cc3)nc2c1,CID648874,0.0,0.0,,0.0,,,,,,,,,0.0,,,0.0,0.0
CC(C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)n1cc(CCC(=O)O)nn1,CID16066492,,,,,,,,,,,,,,0.0,,,
CC(C)(C)OC(=O)N1CCN(C(=O)Cn2cc(CCO)nn2)CC1,CID16066640,,,,,,,,,,,,,,0.0,,,
O=C(NCc1ccco1)c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Br,CID1101984,,,,,,,,,,,0.0,,,,,,
O=C(NCc1ccco1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1,CID1101933,0.0,0.0,,,0.0,,,,,,,,,,,,
O=C(CSc1ncn[nH]1)N1CCN(S(=O)(=O)c2ccccc2)CC1,CID2124489,,,,,,0.0,,,0.0,,,,,,,,
O=C(CSc1ncn[nH]1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1,CID2429809,,,,,,,,,0.0,,,0.0,,,,,
O=C1CNC(=O)/C1=C\NCCCO,CID5565976,,,,,,,,,0.0,,,,,,,,
CCN(CC)CCN/C=C1/C(=O)CNC1=O,CID1882679,,0.0,,0.0,,,0.0,0.0,,0.0,,,,0.0,,,
O=C(CCc1nc(-c2ccccc2F)no1)NCCN1CCOCC1,CID3239910,,,,,,,,0.0,,,,,,,,,
Cc1ccc(-c2noc(CCC(=O)NCCN3CCOCC3)n2)cc1,CID3242579,,0.0,,0.0,,,0.0,,,,,0.0,,,,,
Cc1cc(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)no1,CID831972,,,,,,,,,,,,0.0,,,,,
Cc1cc(NC(=O)c2c(Br)c(C)nn2C)no1,CID844549,,,,,,,,,,,,,,,0.0,,
CC1=CC(C)(C)Nc2ccc(OC(=O)C(C)N3C(=O)c4ccccc4C3=O)cc21,CID2874907,,,,,,,,,,,,,,,0.0,,
CC1=CC(C)(C)Nc2ccc(OC(=O)CN3C(=O)c4ccccc4C3=O)cc21,CID996076,,,,,,,,,,,,,,0.0,,,
CCc1nnc(NC(=O)CSC2=NN/C(=C3\C=c4ccccc4=CC3=O)N2CC)s1,CID5892268,,,,,,0.0,0.0,,,0.0,,,,,,,
CCc1nnc(NC(=O)CSC2=NN/C(=C3\C=c4ccccc4=CC3=O)N2CCOC)s1,CID6246112,,,,,,,,,,,,,,,,,0.0
COC(=O)c1sc(NC(=O)Cc2cccs2)nc1C,CID1247203,,0.0,0.0,,,,,,,,,,,0.0,,,
CCOC(=O)Cc1csc(NC(=O)Cc2cccs2)n1,CID787333,,,,,,,0.0,,,1.0,,,,0.0,0.0,0.0,
CC(Sc1nnc(NC2CCCCC2)s1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O,CID3314137,,,,,,,,,,,,,,0.0,,,
O=C(CSc1nnc(NC2CCCCC2)s1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O,CID4329797,,,,,,,,,,,,,,,0.0,,
CCN1CCN(C(=O)CCc2nc(=O)c3ccccc3[nH]2)CC1,CID3910366,,,,,,,,,,,,,,0.0,,,
CN1CCN(C(=O)CCc2nc(=O)c3ccccc3[nH]2)CC1,CID2110502,,,,,,,,,,,,0.0,,,,,
COc1ccc(-c2noc(-c3ccccc3C(=O)N3CCOCC3)n2)cc1,CID1957527,,,,,,,,,0.0,,0.0,,,,,,
COc1ccccc1-c1noc(-c2ccccc2C(=O)N2CCOCC2)n1,CID665787,0.0,,,0.0,,0.0,,0.0,0.0,0.0,,0.0,,,,,
Cc1ccc(Nc2c([N+](=O)[O-])c(=O)n(C)c3ccccc23)cc1C,CID2877681,,,,,,,,,,,,0.0,,0.0,0.0,,
CN(c1ccc(Cl)cc1)c1cc(=O)n(C)c2ccccc12,CID3240918,0.0,,,,,,,,0.0,0.0,,,,,,0.0,0.0
Cc1ccc2cc(CN(CC(C)C)C(=O)C3CCCO3)c(=O)[nH]c2c1,CID667133,,,,,0.0,,0.0,,,,,,0.0,,,,
Cc1ccc2cc(CN(C)C(=O)C3CCCO3)c(=O)[nH]c2c1,CID665113,,,,,0.0,,,,,,0.0,,0.0,,,,0.0
CC1CC(C)CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCCSc2nc3ccccc3s2)C1,CID667136,,,,,,,,,,,,0.0,,,,,0.0
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCC1)n2CCCSc1nc2ccccc2s1,CID666552,,,,,,,,,,,,0.0,,,,,0.0
COc1ccc(C(=O)COC(=O)CCn2nnc(-c3cccc(O)c3OC)n2)cc1,CID646365,,,,0.0,,,,0.0,0.0,,,,,,,,
COc1c(O)cccc1-c1nnn(CCC(=O)OCC(=O)c2ccccc2)n1,CID651195,,0.0,,,,,,,,,,0.0,,,,,
CCOc1ccc(Nc2oc(-c3cccs3)nc2C#N)cc1,CID891917,0.0,,,0.0,0.0,,0.0,,,,,,,,,,0.0
COc1ccc(Nc2oc(-c3cccs3)nc2C#N)cc1,CID661263,0.0,0.0,,0.0,0.0,,,,,,0.0,,,,,,
CCn1c(Cc2ccccc2)nnc1SCc1cccc(C(=O)O)c1,CID2223458,,,,,,,,,,,,,,0.0,0.0,,
CCn1c(Cc2ccccc2)nnc1SCc1ccc([N+](=O)[O-])cc1,CID1319415,,,,,,,,,,,,,,,0.0,,
O=C(Oc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1)c1ccccc1,CID2246824,,,,,,0.0,,,,,,,,,,,
Cc1cccc(C(=O)Oc2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2)c1,CID1730291,,,,,,0.0,,,,,,,,,,,
Cc1oc(N/C=C2\C=CC=CC2=O)c(C#N)c1C,CID5333390,,,,,,,,,0.0,,,,,,,,
CCOC(=O)c1c(C)oc(N/C=C2\C=CC=CC2=O)c1C#N,CID5405496,,,,,,0.0,,,,,,,,,,,
O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCCCC1,CID880219,,0.0,0.0,,,,,,,0.0,,,,,0.0,,
CCOC(=O)C1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)CC1,CID2997607,,,0.0,,,,0.0,,0.0,,0.0,0.0,0.0,,,,0.0
Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(COc4ccccc4)s3)CC2)cc1,CID656238,,0.0,0.0,,0.0,,,,,0.0,,,,,,0.0,
O=C(Nc1nnc(COc2ccccc2)s1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1,CID3192888,,,,,,,,,,,0.0,,,,,,
CCc1ccc(-c2nn(-c3ccccc3)cc2C2SCC(=O)N2Cc2ccco2)cc1,CID2874571,,,,,,,,,,0.0,,,,,,,
O=C1CSC(c2cn(-c3ccccc3)nc2-c2ccccc2)N1Cc1ccco1,CID2998807,0.0,,,,,,,,,,,,0.0,,,,
Cc1cc(SCC(=O)c2ccccc2)n2nc(C)nc2n1,CID5309837,,0.0,,,,,,,,,,,,,,,
COc1ccc(C(=O)CSc2cc(C)nc3nc(C)nn23)cc1OC,CID1249291,,0.0,,,,,,0.0,0.0,,,,,,,,0.0
CC(C)c1ccc(C2CC(=O)N3CN(C)CSC3=C2C#N)cc1,CID5309836,,,,,,,,0.0,,,,,,,,,
COc1ccc(Br)cc1C1CC(=O)N2CN(C)CSC2=C1C#N,CID5307839,0.0,,,,,,,,,,,,,,,0.0,0.0
Cc1cccc(NC(=S)NC(=O)/C=C/c2ccccc2)n1,CID884221,,,,,,,,,,,,,,,0.0,,
Cc1ccnc(NC(=S)NC(=O)/C=C/c2ccccc2)c1,CID875108,,,,,,,,,,,,,,,0.0,,
CCc1nnc(NC(=O)C2CCCN(S(=O)(=O)c3ccccc3)C2)s1,CID3214725,,,,,,,,,,,0.0,,,,,,
Cc1nnc(NC(=O)C2CCCN(S(=O)(=O)c3ccccc3C(F)(F)F)C2)s1,CID645753,0.0,,,,0.0,,,,,,,,,,,,
O=c1oc2ccc3ccccc3c2cc1-c1nnc(-c2ccccc2)o1,CID650811,0.0,,,,,0.0,,0.0,,0.0,,0.0,0.0,0.0,,,
COc1ccc(-c2nnc(-c3cc4c(ccc5ccccc54)oc3=O)o2)cc1,CID3123873,,,,,,0.0,,,,0.0,,,,,0.0,,
O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1,CID650819,,,,,0.0,,,0.0,,,,,,,,,0.0
O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC(n2nnc3cc(F)ccc32)CC1,CID651033,0.0,,,,0.0,,,,0.0,,,,,,,,
CC(C)OC(=O)c1cccnc1SCc1cc(=O)n2ccccc2n1,CID3240387,,0.0,0.0,0.0,,0.0,,,0.0,,0.0,,,,,0.0,0.0
CCOC(=O)c1cccnc1SCc1cc(=O)n2ccccc2n1,CID3242861,,,0.0,,,,,0.0,0.0,,,,,,,,
Cc1ccc(CN(c2ccc(C(=O)N3CCCC3)cc2)S(C)(=O)=O)cc1,CID1315015,0.0,,0.0,,,,,0.0,,0.0,,,,,,,0.0
Cc1ccccc1CN(c1ccc(C(=O)N2CCCC2)cc1)S(C)(=O)=O,CID1312671,0.0,0.0,0.0,,,,,,,0.0,,,,,,,0.0
Cc1ccc(C2=NN=C(N)/C2=N/Nc2cccc(Cl)c2C)cc1,CID11957142,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C2=NN=C(N)/C2=N/Nc2ccccc2C)cc1,CID11957143,,,,,,,,,,,,,,0.0,,,
CC1(C)OC(=O)C(=NNc2ccc(Br)cc2)C(=O)O1,CID916071,,,,,,,,,,,,,,,0.0,,
CC1(C)OC(=O)C(=NNc2ccc(Cl)cc2)C(=O)O1,CID338046,,,,,,,,,,,,0.0,,,,,
CN1CCN(C(=O)Nc2cccc3ccccc23)CC1,CID235438,,0.0,,,,,,,,,,,0.0,,,0.0,
CCN1CCN(C(=O)Nc2cccc3ccccc23)CC1,CID787773,,,,,,0.0,,,,,,0.0,0.0,,,0.0,
O=C(c1ccc(F)cc1)C1CCN(C(=O)NC2CCCCC2)CC1,CID3223565,,,,,,,,,,,,0.0,,,,,
O=C(c1ccc(Cl)cc1)C1CCN(C(=O)NC2CCCCC2)CC1,CID655632,0.0,,,,,,0.0,,,,,,,,,,
CCC1Oc2ccccc2N(CC(=O)NCCCN2CCN(Cc3ccccc3)CC2)C1=O,CID3239519,0.0,,,,,,,,,0.0,,,,,,,0.0
O=C(CN1C(=O)COc2ccccc21)NCCCN1CCN(Cc2ccccc2)CC1,CID3244596,,,,,,,,0.0,,,,,,,,,0.0
COc1ccc(CNC(=O)c2ccc(NC(=O)C3CCCO3)cc2)cc1,CID3239511,,,0.0,,,,,,0.0,,,,,,,,
COc1cccc(CNC(=O)c2ccc(NC(=O)C3CCCO3)cc2)c1,CID3238109,,,,,,,,,0.0,,,,0.0,,,0.0,
COC(=O)CSc1nnc(-c2ccc(NS(=O)(=O)c3ccccc3)cc2)o1,CID651381,,,,,0.0,,,,,,0.0,,,,,0.0,
CCOC(=O)CSc1nnc(-c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)o1,CID654288,,,0.0,,0.0,,,,,,0.0,,,,,,0.0
Cc1ccc2nc(-c3ccc(SCC(=O)Nc4cc(C)on4)nc3)[nH]c2c1,CID651389,,0.0,0.0,,,0.0,,,,,0.0,,0.0,,,0.0,
Cc1cc(NC(=O)CSc2ccc(-c3nc4cc(C)c(C)cc4[nH]3)cn2)no1,CID655186,,0.0,,,,,0.0,,,,,,,,,0.0,
COc1ccc(-c2cn3c(C)c(C(=O)N4CCCc5ccccc54)sc3n2)cc1,CID5310309,,,,,,,,,,0.0,,,,,,,
Cc1c(C(=O)N2CCCc3ccccc32)sc2nc(-c3ccccc3)cn12,CID5310436,,,,0.0,,,,,,0.0,,,,,,,
C/C(=N\NC(=O)c1ccccn1)c1ccc(C(=O)O)s1,CID842286,,,,,,,,,,,,,,0.0,,,
Cc1ccc(/C=N/NC(=O)c2ccccn2)s1,CID761647,,,,,,,,,,,,,,,0.0,,
O=C(NCc1ccc2c(c1)OCO2)C1(S(=O)(=O)c2ccccc2)CC1,CID1158054,,,,,,,,,,0.0,,,,,0.0,,
Cc1ccc(S(=O)(=O)C2(C(=O)NCc3ccc4c(c3)OCO4)CC2)cc1,CID5309952,,,,,,,,,,,,,,,,0.0,
O=C(COc1ccc(Cl)cc1)NCCSc1ccccc1,CID2283889,,,,,,,,,,0.0,,,,0.0,,,
O=C(COc1ccccc1)NCCSc1ccccc1,CID2899466,,,,,0.0,0.0,0.0,,,,,,,,,,
O=C(CCNc1ccccc1)c1ccc2c(c1)OCO2,CID658608,,,,,,,,0.0,0.0,,,,,,,0.0,
CCOc1ccc(NCCC(=O)c2ccc3c(c2)OCO3)cc1,CID855039,,,,,,,0.0,0.0,,,0.0,,,,,0.0,
COc1ccc(CNC(=O)Cc2csc(Nc3nc(=S)[nH]c4ccccc34)n2)cc1,CID4121748,,,,,,0.0,,,,,,,,,,,
O=C(Cc1csc(Nc2nc(=S)[nH]c3ccccc23)n1)NCc1ccc(Cl)cc1,CID4117927,,,,,,,,,,,,,,0.0,,,
Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccc(Br)cc1,CID1083538,,,,,,,,,,,,,,,0.0,,
Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccccc1,CID83213,,,,,,,,,,,,,,,0.0,,
Cc1c(C(N)=O)sc2ncn(CC(=O)N3CCC(C)CC3)c(=O)c12,CID735006,,,,,,,,,0.0,,,,,,,,
COCCNC(=O)c1sc2ncn(CC(=O)N3CCCCC3)c(=O)c2c1C,CID3243305,,,,,,,,0.0,,,,,,,,0.0,
c1ccc(CNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1,CID1068729,,,,,,,,,,0.0,,,,,,,
CCOC(=O)CC(Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1)c1ccccc1Cl,CID3237453,,,,,,,,,,,,0.0,,,,,
CC(=O)/N=c1\sc(C(C)(C)C)c(C)n1C,CID2304054,,0.0,,,0.0,0.0,,,,,,,,,0.0,,
C=CCn1c(C#N)c(N)sc1=N,CID646524,,,,,,,,,,,,,0.0,,,0.0,
Cc1ccc(-c2ccc(OCC(=O)N3CCOCC3)cc2)cc1,CID720122,0.0,,,0.0,,,,,,,,,0.0,,0.0,,
CC(Oc1ccc(-c2ccccc2)cc1)C(=O)N1CCOCC1,CID2968920,0.0,,,,,,,,,,,,,,,,
COc1cccc2cc(C(=O)OC3CCN(C)CC3)c(=O)oc12,CID1513417,,,,,,,,0.0,,0.0,,,,,,,
COc1cc(Br)cc2cc(C(=O)OC3CCN(C)CC3)c(=O)oc12,CID991767,,,,,,,,,,,,0.0,,,,,
COc1ccc(C(=O)NCCc2nnc(SCc3nc(=O)c4ccccc4[nH]3)n2C)cc1,CID1253844,,0.0,0.0,0.0,0.0,,,,,,0.0,0.0,,,,,
Cn1c(CCNC(=O)c2ccccc2F)nnc1SCc1nc(=O)c2ccccc2[nH]1,CID1251780,,,,,,,,,,,,,,,,,0.0
CCOC(=O)c1cc(CN2CCOCC2)oc1-c1ccccc1,CID653527,,,0.0,0.0,,,0.0,0.0,,,,,,,,,0.0
O=C(O)c1cc(CN2CCOCC2)oc1-c1ccccc1,CID672004,,,,,,,,0.0,,0.0,,,,,,,
CCOC(=O)c1c(NC(=O)c2nn(CC)cc2Br)c(C#N)nn1-c1ccccc1,CID2192012,0.0,,,,,,,,0.0,,,,,,,0.0,0.0
CCOC(=O)c1nn(-c2ccccc2)c(C#N)c1NC(=O)c1nn(CC)cc1Br,CID2193197,0.0,,,,,,,,0.0,,,,,,,,
COc1cccc(/C(O)=C2/C(=O)C(=O)N(c3cc(C)on3)C2c2cccs2)c1,CID5389389,,,0.0,,,,,0.0,,,,,,,,,
Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)C2c2cccs2)no1,CID5389428,,,,,,,,0.0,,,,,,,,,
COC(=O)c1ccsc1NC(=O)CN1CCN(c2ccc(F)cc2)CC1,CID1265862,0.0,,0.0,,0.0,,0.0,,,0.0,,,,,,,0.0
CCOC(=O)c1c(NC(=O)CN2CCN(c3ccc(Cl)cc3)CC2)sc(C)c1C,CID1443653,,,,,,,,,,,,0.0,,,,,
Cc1cc(C)n(-c2nc(Nc3ccccc3C)nc(-n3nc(C)cc3C)n2)n1,CID1077243,,,,,,,,,,0.0,,,,,,,
Cc1cc(C)n(-c2nc(Nc3ccccc3)nc(-n3nc(C)cc3C)n2)n1,CID648246,,,,,0.0,,0.0,,,,,,,,,,
COC(=O)C1=C(C)N(C(C)C)C(=O)C1(NC(=O)C1CCCCC1)C(F)(F)F,CID2968817,,,,,,,,,0.0,,,,,,,,
CC1=C(C#N)C(NC(=O)C2CCCCC2)(C(F)(F)F)C(=O)N1,CID2969397,,,,,,,,,0.0,,,,,,,,
Cc1cc(C)n(C(=O)CNc2ccc(C)c(C)c2)n1,CID836955,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)n(C(=O)CNc2cccc(Cl)c2C)n1,CID703700,,0.0,,0.0,,,0.0,,,,,0.0,0.0,,,0.0,0.0
Cc1cc(C)n(C(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)n1,CID974222,0.0,0.0,,,0.0,,,,,,,,0.0,,,0.0,0.0
Cc1cc(C)n(C(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)n1,CID2130720,0.0,,,0.0,0.0,,0.0,0.0,,,,,,,,0.0,0.0
O=c1nc2n(c(O)c1C(c1ccccc1)c1c(O)n3c(nc1=O)SCCC3)CCCS2,CID3565632,,,,,,0.0,,,,,,,,,,,
O=c1nc2n(c(O)c1C(c1ccc(O)cc1)c1c(O)n3c(nc1=O)SCCC3)CCCS2,CID3642614,,,,,,0.0,,,,,,,,,,,
CCN(Cc1ccccc1)C(c1ccc(C)cc1)c1nnnn1C(C)(C)CC,CID3193418,,,,,,0.0,,,,,,,,,,,
CCN(Cc1ccccc1)C(c1cccc(C#N)c1)c1nnnn1C(C)(C)C,CID652657,,,,,,,,,,,,,0.0,,,,
O=C(CSc1ncnc2nc[nH]c12)c1ccc(Cl)cc1,CID680874,0.0,0.0,,0.0,0.0,,,,,,,,,,,,0.0
O=C(CSc1ncnc2nc[nH]c12)c1ccccc1,CID685688,,,,,,,,,,0.0,0.0,0.0,,,,,
CCN(CCCNC(=O)CN(C)S(=O)(=O)c1cccc2nsnc12)c1ccccc1,CID3243385,,0.0,,,,0.0,,,,,,,,,,,0.0
CCN(CCCNC(=O)CN(C)S(=O)(=O)c1cccc2nsnc12)c1cccc(C)c1,CID3243988,,,,,,,,,,,,0.0,,,,,0.0
CC(=O)NC1CC2CCCC(C1)N2S(=O)(=O)c1ccccc1,CID656292,,,,,,,,,,,0.0,,0.0,,,,
CC(=O)NC1CC2CCCC(C1)N2S(=O)(=O)c1cccc(F)c1,CID652733,,,0.0,,,,,0.0,,,0.0,,,,,,
Cc1cccn2c(=O)c3cc(C#N)c(=N)n(CCN4CCOCC4)c3nc12,CID656296,,,,,,,,0.0,,,,,,,,,
CCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCN2CCOCC2)c1=N,CID664695,,,,,,,0.0,,,,,,,,,0.0,
Cc1ccccc1NC(=O)NCCc1nc2ccccc2[nH]1,CID659969,,,,,,,,0.0,0.0,,,,,,,,
O=C(NCCc1nc2ccccc2[nH]1)Nc1ccccc1,CID678654,,,,,,0.0,,0.0,,,,0.0,0.0,,,0.0,0.0
COc1cccc(CN2CCCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c1,CID3237723,0.0,,,,,,0.0,,0.0,,0.0,,,,,0.0,
COc1ccc(S(=O)(=O)N2CCCN(Cc3cccc(F)c3)CC2)cc1,CID3235886,,0.0,,0.0,,0.0,0.0,,,,,,,,,,
COc1ccc(CCNC(=O)CC(NS(=O)(=O)c2ccc(NC(C)=O)cc2)C(C)C)cc1OC,CID3237721,,,,0.0,0.0,,,,0.0,,,,,,,,
CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NCCc2ccc(F)cc2)cc1,CID2451587,,,,,,,,,,0.0,,0.0,,0.0,,,
CSc1nsc(SC)c1NC(=O)OCc1ccccc1,CID3237727,,,,,0.0,,,,,,,,,,,,
COc1ccc(COC(=O)Nc2c(SC)nsc2SC)cc1,CID1514008,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)/C=C/N2CCCCC2)cc1OC,CID807982,,,,,,,0.0,0.0,,,0.0,,,,,0.0,
C/C(=C\C(=O)c1ccc(Br)cc1)N1CCCCC1,CID2291097,0.0,,,,,,,,,,0.0,0.0,,,,0.0,
O=S(=O)(NCCc1ccccc1F)c1cccc(S(=O)(=O)N2CCOCC2)c1,CID647809,,,,,0.0,,,,,,,,,,,,
O=S(=O)(NCCc1ccccc1)c1cccc(S(=O)(=O)N2CCOCC2)c1,CID648065,,,,,0.0,,0.0,,,,,,0.0,,,,
COC(=O)c1c(NC(=O)CN2CCOCC2)sc2c1CCC(C)C2,CID2999715,,,,,0.0,,0.0,0.0,0.0,,0.0,,,,,,
CCOC(=O)c1c(NC(=O)CN2CCOCC2)sc2c1CCCC2,CID44008,,,,0.0,0.0,0.0,0.0,,0.0,,,,,,,0.0,
CCCCN1C(=O)NC(=O)/C(=C(/CC)NCc2ccc3c(c2)OCO3)C1=O,CID5389676,,,,,,,0.0,0.0,,,,,,0.0,,,
CC(NCc1ccc2c(c1)OCO2)=C1C(=O)NC(=O)NC1=O,CID5389689,,,,,,,,0.0,,,,,,,,,
Cc1noc(NS(=O)(=O)c2ccc(NC(=O)CSc3ncccn3)cc2)c1C,CID3521535,,0.0,,0.0,0.0,,,,,,,,,,,,
Cc1cc(C)nc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)n1,CID2059848,,0.0,,0.0,0.0,0.0,,,,,0.0,,0.0,,,0.0,
CSc1cnn(Cc2ccccc2)c(=O)c1SCc1ccccc1,CID990039,,,,,,,,,,,,,,0.0,,,
CCOc1cnn(Cc2ccccc2)c(=O)c1SCc1ccccc1,CID990041,,,,,,,,,,,,,,0.0,,,
Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1,CID1363107,,,,,,0.0,,,,,,,,,,,
O=[N+]([O-])c1ccc2nc(SCc3ccccc3Cl)sc2c1,CID878013,,,,,,,,,,,,,,0.0,0.0,,
CCCN1CCN(C(=O)Cn2ncc3ccccc32)CC1,CID5307808,,,,,,,,,,,0.0,,,0.0,,,
CCOC(=O)N1CCN(C(=O)Cn2ncc3ccccc32)CC1,CID5308265,,,,,,,,0.0,,,,,,,0.0,,
Cc1sc(NC(=O)CN2CCN(c3ccccn3)CC2)c(C#N)c1C,CID645442,,0.0,0.0,,,,,0.0,,,,0.0,,,,0.0,
N#Cc1ccsc1NC(=O)CN1CCN(c2ccccn2)CC1,CID4877559,,,,,,,,,,,0.0,,,,,,
Cc1ccc2c(c1)nnn2C1CCN(CC(=O)NCCc2nc3ccccc3[nH]2)CC1,CID645440,,0.0,,,,,,,,,,,,,0.0,,
O=C(CN1CCC(n2nnc3cc(F)ccc32)CC1)NCCc1nc2ccccc2[nH]1,CID655907,,0.0,,,,,,,,,,,0.0,,,,
Cc1ccccc1-n1c(=O)cc(NCc2ccc3c(c2)OCO3)[nH]c1=O,CID3240630,,0.0,,,,,,0.0,0.0,,0.0,0.0,,,,,0.0
O=c1cc(NCc2ccc3c(c2)OCO3)[nH]c(=O)n1-c1ccc(Cl)cc1,CID3241391,0.0,,,,,,,,,,,,0.0,,,,0.0
CC(C)(C)c1nc(N2CCN(C(=O)c3ccco3)CC2)c2nnn(Cc3ccccc3)c2n1,CID3228186,,,,,,,,,,0.0,,,,,,,
CC(C)(C)c1nc(N2CCN(C(=O)c3ccco3)CC2)c2nnn(Cc3ccccc3Cl)c2n1,CID652723,,,,,,,0.0,,,,,,,,,,
CCn1c(C)cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c1C,CID751980,,,,,,,,,,,,,,,0.0,,
CCn1c(C)cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)c1C,CID1782803,,,,,,,,,,,,0.0,,,0.0,,
CC(C)(C)C(=O)NC1(C(F)(F)F)N=C2SCCN2C1=O,CID5207616,,,,,,,,,,0.0,,,,,,,
CC(=O)NC1(C(F)(F)F)N=C2SCCN2C1=O,CID614133,,,,,,,,,0.0,,,0.0,,,,,
COc1ccc(N(CC(=O)Nc2ccc3ccccc3c2)S(=O)(=O)c2ccccc2)cc1,CID1372951,,,,,,0.0,,,,,,,,,,,
COc1ccc(N(CC(=O)Nc2ccc3ccccc3c2)S(=O)(=O)c2ccccc2)cc1Cl,CID999748,,,,,,0.0,,,,,,,,,,,
Clc1ccc2c(c1)CNc1c(ncnc1N1CCOCC1)O2,CID660753,,0.0,,,,,,0.0,,,,,,,0.0,0.0,
Brc1ccc2c(c1)CNc1c(ncnc1N1CCOCC1)O2,CID660973,0.0,,,,,,0.0,,0.0,,,,,,0.0,,0.0
Cc1nc2c(C(=O)N3CCOCC3)cnn2c(C)c1Cc1cccc(Cl)c1,CID4109353,,,,,,0.0,,,,0.0,,,,,,,
Cc1ccc(C)c(Cc2c(C)nc3c(C(=O)N4CCOCC4)cnn3c2C)c1,CID3236274,0.0,,0.0,,,0.0,,,,,,,0.0,,,,
Nc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)NC1CC1,CID2098298,,,,,,,,,,,,,,,0.0,,
COc1cc(SC)ccc1C(=O)OCC(=O)NC1CC1,CID2365164,,,,,,,,,,,,,,0.0,,,
COc1ccccc1Oc1nc(-c2cccnc2)nc2ccccc12,CID2594903,,,,,,,,,,,,,,,0.0,,
CC(=O)c1ccc(Oc2nc(-c3cccnc3)nc3ccccc23)cc1,CID2549706,,,,,,,,,,,,,,,0.0,,
CCCSc1ncc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)N3CC(C)OC(C)C3)cc2)n1,CID2983586,,,,,,,,,0.0,,,,,0.0,,,
CSc1ncc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1,CID2235751,,,,,,,0.0,,0.0,0.0,,,,,,,
CCc1c(C)nc2cc(-c3cc(OC)cc(OC)c3)nn2c1N1CCCC1,CID655988,0.0,,,0.0,,,0.0,,,,,,0.0,,,,
CCc1c(C)nc2cc(-c3ccc(OC)c(OC)c3)nn2c1N1CCCC1,CID648651,,0.0,0.0,,,,0.0,,,,,,,,,,
CCC(C(=O)Nc1ccccc1-c1ccccc1)c1ccccc1,CID319496,,,,,,0.0,,,,,,,,,,,
O=C(Cc1ccccc1F)Nc1ccccc1-c1ccccc1,CID2547062,,,,,,,,,,,,,,,0.0,,
COc1cccc(NC(=O)CSc2nnc(-c3cc(C)n(-c4ccccc4)c3C)o2)c1,CID2402326,0.0,0.0,1.0,,0.0,0.0,,,,0.0,,0.0,,,,0.0,
Cc1cccc(NC(=O)CSc2nnc(-c3cc(C)n(-c4ccccc4)c3C)o2)c1C,CID2404532,0.0,,,,0.0,,,,,,0.0,,,,,,0.0
CCCn1c(SCC(=O)NCCc2ccc(Cl)cc2)n[nH]c1=O,CID2576445,0.0,,,0.0,0.0,,,,,,,,0.0,,,,
CCCn1c(SCC(=O)NCCc2ccc(Cl)cc2Cl)n[nH]c1=O,CID2576450,0.0,,,,,,0.0,,,,,,,,,,
CSc1ccccc1NC(=O)C1C/C(=C2/C=CC=CC2=O)NO1,CID5771718,,,,,,,0.0,0.0,,,,,,,,,
COC(=O)c1ccccc1NC(=O)C1C/C(=C2/C=CC=CC2=O)NO1,CID5771716,,,,,,,,,,,0.0,,0.0,,,,
Cc1cccc(-n2nnnc2SCC(=O)c2cc(C)n(Cc3ccco3)c2C)c1,CID2105421,0.0,,0.0,,0.0,,,,,,,,,,,0.0,
COc1ccc(C)cc1-n1nnnc1SCC(=O)c1cc(C)n(Cc2ccco2)c1C,CID2529678,0.0,,,,,,0.0,0.0,,,0.0,,,,,,
COC(=O)CC1C(=O)NCCN1C(=S)Nc1ccccc1,CID5195485,,,,,,,,,,,,,,,0.0,,
CCc1ccccc1NC(=S)N1CCNC(=O)C1CC(=O)OC,CID2950628,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C1CCCN(C(=O)c2cc3ncc(Br)cn3n2)C1,CID2982630,,,,,,,0.0,,1.0,,,,,,,0.0,
CCC1CCCCN1C(=O)c1nn2cccnc2c1Cl,CID2982117,,,0.0,,,,,,,,0.0,,,,,0.0,0.0
CCCc1nc(SCC(=O)c2ccc(OC)cc2)c2c(=O)n(C)c(=O)n(C)c2n1,CID5310563,,,,,,,,0.0,,,,,0.0,,,,
CCCc1nc(SCC(=O)c2ccccc2)c2c(=O)n(C)c(=O)n(C)c2n1,CID7110352,,,,,,,,,,,,0.0,,,,,
Nc1nncn1C(=O)CCCOc1ccccc1,CID2195041,,,,,,,,,0.0,,,0.0,,0.0,,,
Nc1nncn1C(=O)CCCOc1ccc(Cl)cc1Cl,CID2215979,,0.0,,,,,,,,,,,,,,,
CCC(Oc1cc(Cl)ccc1Cl)C(=O)NN1C(=O)C2C3CCC(C3=C(C)C)C2C1=O,CID4435672,,,,,,,,,,,,,,0.0,,,
CC(C)=C1C2CCC1C1C(=O)N(NC(=O)COc3ccc(Cl)c(C)c3)C(=O)C21,CID3570207,,,,,,,,,,,,0.0,,,,,
O=C(O)c1ccc2c3c(ncnc13)-c1ccccc1C2=O,CID72574,,,,,,,,1.0,,,,,,,,,
O=C1c2ccccc2-c2ncnc3cccc1c23,CID964647,,,,,,,,,,0.0,0.0,,,,,,
CCC(C)(C)NC(=O)C(c1ccc(OC)cc1)N(Cc1ccco1)C(=O)CCC(=O)Nc1cc(C)on1,CID3216233,,,,,,,,,0.0,0.0,,0.0,,,,,
COc1ccc(C(C(=O)NC(C)(C)C)N(Cc2ccco2)C(=O)CCC(=O)Nc2cc(C)on2)cc1,CID648620,,,0.0,,,,,0.0,0.0,,,0.0,0.0,,,,0.0
COCCCNC1=NN=C(c2cc(C)n(-c3ccccc3F)c2C)CS1,CID4876230,,,,,,,,,,,,,,0.0,,,
CNC1=NN=C(c2cc(C)n(-c3ccc(Cl)cc3)c2C)CS1,CID4877981,,,,,,,,,,,,,,0.0,,,
COc1cccc(C(=O)NC2CCN(CC(=O)Nc3nccs3)CC2)c1,CID3220977,,,,,,,,,,,0.0,,,,,,
Cc1ccccc1C(=O)NC1CCN(CC(=O)Nc2nccs2)CC1,CID648924,,,,0.0,,,,0.0,,0.0,,,,,,,
COc1ccc(/C=C/C(=O)c2ccc[nH]2)cc1OC,CID5739502,,,,,,,,,,0.0,,,,,,,
COC(=O)c1c(C)[nH]c(C(=O)/C=C/c2cccc(Cl)c2)c1C,CID5912510,,,,,,,,,,,,,,0.0,,,
Nn1c(COc2ccccc2)nnc1SCc1cc(=O)[nH]c2ccccc12,CID1252089,,,0.0,,0.0,,,0.0,,0.0,,,,,0.0,,
Cn1c(COc2ccccc2)nnc1SCc1cc(=O)[nH]c2ccccc12,CID655261,0.0,,0.0,0.0,0.0,,0.0,0.0,,,,,,0.0,,0.0,0.0
O=C(Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1cccnc1,CID1252084,,,,,,0.0,,,,,,,,,,,
COc1cc(NC(=O)c2cccnc2)ccc1-c1cc2ccccc2oc1=O,CID1131926,,,,,,,,,,,,,,0.0,,,
Cc1cc(SCC(=O)NC(=O)NCc2ccco2)nc2c(C)cccc12,CID2500137,,,,0.0,0.0,,0.0,,,,0.0,,,,,0.0,0.0
Cc1cc(SCC(=O)NC(=O)NCc2ccco2)nc2ccccc12,CID2622916,0.0,0.0,,,0.0,,,,0.0,,0.0,,,0.0,,0.0,
Cc1c(-c2ccccc2)nc(N)c(C#N)c1-c1cccs1,CID934303,,,,,,0.0,,,,,0.0,,,,,,
CCc1c(-c2ccccc2)nc(N)c(C#N)c1-c1cccs1,CID937999,,,,,,0.0,,,,,,,,,0.0,,
CCCCOC(=O)CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S,CID1561044,,,,,,0.0,,,,,,,,,,,
O=C(O)CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S,CID1201213,,,,,,0.0,,,,,,,,,,,
CCCc1cc(=O)nc(SCc2nc3ccccc3s2)[nH]1,CID2398858,,,,,,0.0,,,0.0,0.0,,,,,,,
Cc1cc(=O)nc(SCc2nc3ccccc3s2)[nH]1,CID2372730,0.0,,,0.0,0.0,0.0,0.0,,0.0,,,,0.0,,,,
CC1CN(C(=O)CN2C(=O)NC3(CCCCCCC3)C2=O)CC(C)O1,CID3000204,,0.0,,,0.0,,,,0.0,,,,,,,,
O=C(CN1C(=O)NC2(CCCCCCC2)C1=O)N1CCOCC1,CID2583790,,,,,,0.0,,,,0.0,,,0.0,,,,
CCOn1c(=O)c(=O)n(OCc2ccccc2)c2ccccc21,CID876960,,,,0.0,,0.0,0.0,,,,0.0,,,,0.0,0.0,
C=CCOn1c(=O)c(=O)n(OCc2ccccc2)c2ccccc21,CID667272,0.0,,,,,0.0,0.0,0.0,,,,,,0.0,0.0,,
O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1,CID9550802,,,,,,,,,,,,0.0,,,,,
COc1ccc(N2CCN(CCCNC(=O)C3(S(=O)(=O)c4ccc(Cl)cc4)CC3)CC2)cc1,CID3236962,0.0,0.0,,,0.0,,,,,,,,,,,,
CCOC(=O)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1,CID2813445,,,,,,,,,,,,,,,,,0.0
CCN(CC)C(=O)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1,CID9551103,,,,,,,,,,0.0,,,,,,,
CCS(=O)(=O)c1nc2ccccc2n1CC(=O)N1CCOCC1,CID935074,,,,,,,,0.0,,,,,,,,,
CCSc1nc2ccccc2n1CC(=O)N1CCOCC1,CID707635,,,,,,,,,,,,,,,,,0.0
Cn1c(-c2cccc(Br)c2)cnc1NCc1cccnc1,CID644645,0.0,,,,,,0.0,,0.0,,0.0,,,,,0.0,
Cn1c(-c2ccc(Br)cc2)cnc1NCc1cccnc1,CID1096467,,,,,,,,,0.0,,0.0,,,,,,
O=C(Nc1ccc(NC(=O)C2CC2)cn1)c1ccccc1Cl,CID655685,0.0,,0.0,0.0,,,,,,0.0,,,,,0.0,0.0,0.0
COc1cccc(C(=O)Nc2ccc(NC(=O)C3CC3)cn2)c1,CID651083,,0.0,,0.0,,0.0,,,,,,0.0,,,0.0,,
Cn1c(SCc2cc(=O)[nH]c3ccccc23)nnc1-c1ccco1,CID3184388,,,,,,,,,,,0.0,,,,,,
COCCCn1c(SCc2cc(=O)[nH]c3ccccc23)nnc1-c1ccco1,CID646249,0.0,,,,,,,0.0,,,0.0,,,,,0.0,0.0
O=C(CSc1ccc(Cl)cc1)c1ccco1,CID2350220,,,,,,,,,,1.0,,,,0.0,,,
O=C(CSc1ccccc1Cl)c1ccco1,CID2632776,,,,,,,,,,0.0,,0.0,,,,0.0,
COc1cccc2cc(C(=O)N3CCN(C45CC6CC(CC(C6)C4)C5)CC3)c(=O)oc12,CID3238543,,0.0,0.0,,,,,,0.0,,,,0.0,,,,
COc1ccc2oc(=O)c(C(=O)N3CCN(C45CC6CC(CC(C6)C4)C5)CC3)cc2c1,CID3241931,,,,,,,,,0.0,,,,,,,,
CCCCn1c(SCC(=O)NCc2ccco2)nnc1-c1ccoc1C,CID654558,0.0,0.0,0.0,,0.0,,0.0,,,,,,,,,0.0,
Cc1occc1-c1nnc(SCC(=O)NCc2ccco2)n1CC(C)C,CID652707,0.0,0.0,0.0,0.0,0.0,,,,,,0.0,,0.0,,,0.0,0.0
COc1cc(NC(=O)C2CCCN2C(=O)C2CCC(C)CC2)cc(OC)c1OC,CID5309743,0.0,,0.0,,,,,,,,,,,,,,0.0
COc1ccc(OC)c(NC(=O)C2CCCN2C(=O)C2CCC(C)CC2)c1,CID5309880,0.0,,,,,0.0,,,,,,,0.0,,,,
O=C(Cc1nc2ccccc2[nH]1)c1ccc(Br)cc1,CID2392375,,,,,,,,,,,,,,,0.0,,
CCc1cc(C(=O)Cc2nc3ccccc3[nH]2)c(O)cc1O,CID645078,0.0,,,,0.0,,0.0,,,,,0.0,,0.0,,,
c1ccc2sc(NC3=NCN(C4CCCCC4)CN3)nc2c1,CID938796,,,,,,0.0,,,,0.0,,,,,,,
CC1CCCCC1N1CN=C(Nc2nc3ccccc3s2)NC1,CID4888164,,,,,,,,,,,,,,0.0,,,
O=C(CNC(=O)c1ccccc1)NCC(=O)OCc1ccccc1Cl,CID2953495,,,,,,,,,,,,,,,0.0,,
O=C(CNC(=O)c1ccccc1)NCC(=O)OCc1ccc(Cl)cc1,CID1615888,,,,,,0.0,,,,,,,,,,,
Cc1ccc(S(=O)(=O)CCC(=O)N2CCc3ccccc32)cc1,CID759092,,,,,,,,,0.0,0.0,,0.0,,,,,
COc1ccc(S(=O)(=O)CCC(=O)N2c3ccccc3CC2C)cc1,CID3243536,,,0.0,,,,,,0.0,,,,,,,0.0,
Cc1ccc(S(=O)(=O)CCC(=O)Nc2nccs2)cc1,CID759096,,,,,,,,,0.0,0.0,0.0,,,0.0,,,
O=C(CCS(=O)(=O)c1ccccc1)Nc1nccs1,CID3163449,,,0.0,,0.0,,,,,0.0,,,,,,,
Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)Cc1ccc(Cl)cc1,CID1047581,0.0,,0.0,,,,0.0,,,,,,0.0,,,0.0,0.0
O=C(Cc1ccccc1)Nc1cccc(-c2nc3ncccc3o2)c1,CID712921,0.0,0.0,0.0,0.0,,,0.0,,0.0,,,0.0,0.0,,,0.0,
Cn1nc(CC(=O)N2CCN(c3ccccc3)CC2)c2ccccc2c1=O,CID1074697,0.0,0.0,,0.0,,,0.0,,,,0.0,,,,,,
COc1ccc(N2CCN(C(=O)Cc3nn(C)c(=O)c4ccccc34)CC2)cc1,CID2174323,,,0.0,0.0,,,,,,,,,,,,,
CC(C)c1nnc(NC(=O)CCC(=O)NCc2cccs2)s1,CID1627306,,,,,,,,,0.0,0.0,,,,,,,
Cc1nnc(NC(=O)CCC(=O)NCc2cccs2)s1,CID939399,,,,,,,,,,0.0,0.0,,,,0.0,,
CC(CCc1ccco1)NC(=O)Cn1ncc2c1-c1ccccc1OC2,CID5307788,,0.0,,0.0,,,,,,0.0,,,,,,,
Cc1ccc2c(c1)-c1c(cnn1CC(=O)NC(C)CCc1ccco1)CO2,CID5309316,,,,0.0,,,0.0,,,,,,,,,,
c1ccc(CCNc2nc3ccccc3n3nnnc23)cc1,CID3245692,,0.0,,,,,,0.0,,,,,,,,,
Cc1cccc(CCNc2nc3ccccc3n3nnnc23)c1,CID11957187,,,,,,0.0,,,,,,,,,,,
O=C1OC(c2ccccc2)=C/C1=C\N1CCOCC1,CID2207819,,,,,,,,,,0.0,,,,,,,
O=C1OC(c2ccccc2)=C/C1=C/N1CCOCC1,CID2207818,,,,,,,,,,0.0,,0.0,,,,,
CCCCCC1CC(CC(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)C(=O)O1,CID3100708,,,,,,,,,0.0,,,,,,,,
CC1(C)CC(CC(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)C(=O)O1,CID2938293,,,,,,,,,0.0,,,,,,,,
CCOc1ccccc1CNC(=O)C1CCN(C(=O)c2sccc2-n2cccc2)CC1,CID3241449,0.0,0.0,,,,,,,,,,,0.0,,,,0.0
O=C(NCc1ccccc1Cl)C1CCN(C(=O)c2sccc2-n2cccc2)CC1,CID5308865,0.0,0.0,,,,,,,,,0.0,,,,,,
CCOC(=O)C(C)n1nc(C)c2sc3ccccc3c2c1=O,CID3241448,,,,,,,,,,,0.0,,,,,,0.0
Cc1nn(C(C)C(=O)O)c(=O)c2c1sc1ccccc12,CID3242118,,,,0.0,,,,0.0,,,,,,,,,
Cc1ccc(C(=O)C2COC(=O)C2)cc1,CID3241447,,,,,,,,,0.0,0.0,,,,,,,
COc1ccc(OC)c(C(=O)C2COC(=O)C2)c1,CID2945292,,,,,,,,0.0,0.0,,,,,,,,
CCOc1ccc(CCNC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1OCC,CID3241444,,,,,0.0,,,0.0,0.0,,0.0,,,,,,
COc1ccc(CCNC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1OC,CID9550516,,,,,,,,,,,,,,0.0,0.0,,
CCOCCc1c(O)nc(SCC(=O)NCc2ccco2)[nH]c1=O,CID3235594,,,,,,,,,,,,,,,,0.0,
CCc1c(O)nc(SCC(=O)NCc2ccco2)[nH]c1=O,CID3244369,0.0,0.0,0.0,,,,,,,,,,0.0,,,0.0,
O=C(NCc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1,CID3245751,,,,,,,,,,,,,,,,0.0,
O=C(NCc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2cccs2)CC1,CID1190420,,,0.0,,0.0,,,,0.0,,0.0,,0.0,,,,
Cn1c(=O)oc2cc(S(=O)(=O)NCc3ccco3)ccc21,CID1093463,,,,,,,,,,,,,,,,0.0,
CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N(C)Cc3ccco3)ccc21,CID5307573,,,0.0,,,,,,,,,,0.0,,,,
O=C(Cn1cnc2c(nnn2Cc2ccc(F)cc2)c1=O)N1CCCCC1,CID3235807,,,,,,,,,,0.0,,,,,,,
Cc1ccc(Cn2nnc3c(=O)n(CC(=O)N4CCCCC4)cnc32)cc1,CID3235879,,,,,,,,,0.0,0.0,,0.0,0.0,,,,
C/C(=N\N1CCN(c2ccccc2)CC1)c1ccncc1,CID761605,,,,,,,,,,,,,,,0.0,,
COc1ccccc1N1CCN(/N=C(\C)c2ccncc2)CC1,CID5347620,,,,,,0.0,,,,,,,,,,,
COc1ccccc1C(c1nnnn1C(C)(C)C)N1CCCc2ccccc21,CID3229130,,,,,,0.0,,,,,,,,,,,
CC(C)(C)n1nnnc1C(c1cccc(C#N)c1)N1CCCc2ccccc21,CID651969,,,,,,,,,0.0,,,,,,,,
CCOC(=O)/C(C#N)=C1/C=CN(c2ccc(C)cc2)C=N1,CID787456,,,,,,,,,0.0,0.0,,,,,,,
CCOC(=O)/C(C#N)=C1/C=CN(c2ccccc2)C=N1,CID788149,,0.0,,,,,,,0.0,0.0,,,,,,0.0,
O=C(N/N=C/C=C\c1cccc([N+](=O)[O-])c1)c1ccccn1,CID1925842,,,,,,,,,,,,,,0.0,,,
O=C(N/N=C/C=C\c1ccccc1[N+](=O)[O-])c1ccccn1,CID1967469,,,,,,,,,,,,,,0.0,,,
O=C(Nc1ccc2c(c1)OCCO2)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1,CID3242656,,,,,,,,,0.0,,,,,,,,
O=C(Nc1ccc2c(c1)OCCO2)C1CCN(S(=O)(=O)c2cccs2)CC1,CID3245817,,,,,0.0,0.0,,,,,,,0.0,,0.0,,0.0
CC1CN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)CC(C)O1,CID660659,,,,,0.0,,,,,,,,,,,,
Cc1ccc2[nH]c3c(c2c1)CN(C(=O)CN1CC(C)OC(C)C1)CC3,CID660702,,,0.0,,0.0,,,0.0,,,,,,,,,
COC(=O)c1ccc(CNC(=O)c2cc3ccccc3oc2=O)cc1,CID4064863,,,,,,,,,,,,,,0.0,,,
COc1ccc2oc(=O)c(C(=O)NCc3ccccc3)cc2c1,CID739469,,,,,,0.0,,,,,,,,,,,
Cc1nn2c3ccccc3nc2n(C)c1=O,CID660652,,0.0,0.0,0.0,,,,0.0,,,,,0.0,,,,
CCn1c(=O)c(C)nn2c3ccccc3nc12,CID657616,,0.0,,,,,,,,,,,,,,,
Cc1cc(NC=C2C(=O)CC(C)(C)CC2=O)no1,CID752793,,,,,,,,,,,,,0.0,,,0.0,
Cc1cc(NC=C2C(=O)CCCC2=O)no1,CID702182,,0.0,0.0,,,0.0,,,,,0.0,,,0.0,,,
CCC1(CC)C(=O)C(C)(C)C(=O)OC1c1cccs1,CID2946235,,,,,,,0.0,,,0.0,,0.0,,,,,
CC1(C)C(=O)OC(c2cccs2)C(C)(C)C1=O,CID3238386,,,,,,,,,0.0,,,,,,,,
CC(C)(C)C1CCC2(CC1)C(C#N)=C(SCC(=O)Nc1ccccc1)NC(=O)C2C#N,CID661305,,,,,,,0.0,0.0,,0.0,,,,,,0.0,
CCOC(=O)C1=C(SCC(=O)Nc2ccccc2)NC(=O)C(C#N)C12CCCCC2,CID2926939,,,0.0,,,0.0,,0.0,0.0,0.0,,,0.0,,,,
COC(=O)c1ccc(CSc2nnnn2-c2ccc(C)cc2C)o1,CID2485550,0.0,0.0,,0.0,,,0.0,0.0,,,0.0,,,,,,0.0
COC(=O)c1ccc(CSc2nnnn2-c2ccccc2)o1,CID2113028,0.0,0.0,,,,,,,,,,,,,,0.0,
O=C(CSc1ccc(Cl)cc1)NCc1ccncc1,CID789755,,,,,,,,,,,,,,0.0,,,
Cc1ccc(SCC(=O)NCc2ccncc2)cc1,CID2279899,,,,,,,,,,,,,,,0.0,,
O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCCC1,CID743020,,0.0,0.0,,,,,,,0.0,,,0.0,,,0.0,0.0
COc1ccc(C(=O)N2CCCC2)cc1S(=O)(=O)N1CCOCC1,CID1310480,,,,,,,,,,,,,,,,0.0,
CCOC(=O)Cc1nn2c(=O)cc(C)nc2s1,CID385805,,0.0,,,,,,0.0,,,,,,,,,
CCOC(=O)c1cnc2scnn2c1=O,CID2324308,,,,,,,,,,,,,0.0,,,0.0,
COc1ccc(/C=C/C(=O)NNc2c(F)c(F)cc(F)c2F)cc1OC,CID2122819,,,,,,,,,0.0,,,,,,,,
COc1cc(/C=C/C(=O)NNc2c(F)c(F)cc(F)c2F)ccc1OC(F)F,CID2079878,,,,,,,,,0.0,,,,,,,,
COc1ccc(C(=O)/C=C/C(=O)N(CC(=O)NC2CCCCC2)Cc2ccc(F)cc2)c(O)c1,CID5770961,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)/C=C/C(=O)N(CC(=O)NC2CCCCC2)Cc2ccccc2OC)c(O)c1,CID5770965,,,,,,,,,,,,,,0.0,,,
COc1ccc(CCn2c(C)cc(C(=O)CSc3nnnn3-c3ccccc3)c2C)cc1OC,CID1184236,0.0,,0.0,,,,0.0,,,,,,,,,0.0,
COc1ccc(CCn2c(C)cc(C(=O)CSc3nnnn3-c3ccccc3)c2C)cc1,CID1234972,,,,,,,,,,,0.0,,,,,,
CN(C(=S)Nc1ccc(F)cc1)C1(c2ccccc2Cl)CCCCC1=O,CID4663943,,,,,,0.0,,,,,,,,,,,
Cc1ccccc1NC(=S)N(C)C1(c2ccccc2Cl)CCCCC1=O,CID3900177,,,,,,,,,,,,0.0,,,,,
Cc1ccc2c(n1)sc1c(N)ncnc12,CID657967,,0.0,,1.0,,,,,,0.0,,,,,0.0,,0.0
Nc1nc(N)c2sc3nc(C(F)(F)F)cc(C(F)(F)F)c3c2n1,CID1240371,,,,,,,,,0.0,,,,,,,,
Cc1ccc2c(CC(=O)N3CCc4ccccc43)coc2c1,CID2080542,0.0,,,,,0.0,,,0.0,0.0,,0.0,,,,0.0,
COc1ccc2c(CC(=O)N3CCc4ccccc43)coc2c1,CID2678416,,,,,,,,,,,0.0,,,0.0,,,
Cc1cc(Oc2ccccc2)nc(SCC(=O)Nc2ccccc2)n1,CID2202674,,,,,,,,,,,,,,0.0,,,
Cc1cc(Oc2ccccc2)nc(SCC(=O)Nc2ccc(Cl)cc2Cl)n1,CID1294572,,,,,,,,,,,,,,0.0,,,
CC(=O)c1cccc(S(=O)(=O)N2CCN(c3nc4cc(C)cc(C)c4cc3C#N)CC2)c1,CID644478,,,,,,,,,,,,,,,,0.0,
Cc1ccc2nc(N3CCN(S(=O)(=O)c4ccc(C)c(Cl)c4)CC3)c(C#N)cc2c1,CID1457116,,,,,,,,,,,,0.0,,,,,
Cc1nnc2ccc(-c3ccc(NS(C)(=O)=O)cc3)nn12,CID7524191,,,,,,,,,,,,,,0.0,,,
Clc1nnc2ccc(-c3ccccc3)nn12,CID792513,0.0,0.0,0.0,0.0,,,,,,,,,0.0,,,,
Cc1ccc(C(=O)Nc2ccc3cn[nH]c3c2)cc1S(=O)(=O)N1CCCCC1,CID2374283,,,,,,,,,,,0.0,,,,,,
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc2cn[nH]c2c1,CID2346076,,,0.0,,0.0,,,,,,0.0,,0.0,,,,0.0
O=C(C/C=N/OCc1ccc(Cl)cc1)c1cnc(-c2ccccc2)s1,CID3849748,,,,,,0.0,,,,,,,,,,,
O=C(C/C=N/OCc1ccccc1F)c1cnc(-c2ccc(Cl)cc2)s1,CID3807069,,,,,,0.0,,,,,,,,,,,
CN(CCOc1ccc(Cl)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cn1,CID2998396,0.0,0.0,,,0.0,0.0,,,,0.0,,0.0,0.0,,,,0.0
CN(CCOc1ccccc1)c1ccc(S(=O)(=O)N2CCCCC2)cn1,CID4885397,,,,,,,,,,,0.0,,,,,,
CSc1nc2sc3c(c2c2nncn12)CCC3,CID657974,0.0,,0.0,,,,0.0,,,,,,,,,,
c1nnc2c3c4c(sc3ncn12)CCC4,CID696847,,,,,,,,,0.0,,,,0.0,,,,
COc1ccc(-c2cc(C(=O)Nc3nc4c(C)cccc4s3)c3ccccc3n2)cc1OC,CID1261465,,,,,,0.0,,,,,,0.0,,,,,
COc1ccc(-c2cc(C(=O)Nc3nc4ccccc4s3)c3ccccc3n2)cc1OC,CID4064819,,,,,,,,,,,,,,0.0,,,
Nc1nnc(CCOc2ccc(Cl)cc2)s1,CID1089189,,,,,,,,,,,0.0,,,,,,
Cc1cccc(OCCc2nnc(N)s2)c1C,CID654989,,0.0,,0.0,,,,,,0.0,,,0.0,,,,0.0
Cc1nc2nc(-c3ccccc3)[nH]n2c(=O)c1Cc1ccccc1,CID1264955,0.0,0.0,,,,,,0.0,,,,0.0,0.0,,,0.0,
COc1ccc(-c2nc3nc(C)c(Cc4ccccc4)c(=O)n3[nH]2)cc1,CID667143,0.0,0.0,0.0,0.0,,,0.0,,,,,0.0,0.0,,,,
O=C1NCCCC1C(=O)Nc1ccccn1,CID665362,,0.0,,,,,,,0.0,,,0.0,,,0.0,0.0,
Cc1ccc(NC(=O)C2CCCNC2=O)nc1,CID2912964,,0.0,,0.0,,,0.0,,0.0,,,0.0,0.0,0.0,0.0,,
CC1CCCC(C)N1C(=O)CSc1nnc(NC(=O)c2cccs2)s1,CID648765,,,,,0.0,,,,0.0,,,,,0.0,,,
O=C(Nc1nnc(SCC(=O)N2CCCCC2)s1)c1cccs1,CID651511,,,,,,,0.0,,,,,,,,,,
CC(C)OC12Oc3ccccc3C=C1N1CCC2CC1,CID648767,,,,,,0.0,,,,,,,0.0,,,0.0,
OC12Oc3ccccc3C=C1N1CCC2CC1,CID2882787,,,,0.0,,0.0,0.0,0.0,,,,,,,,0.0,
COC(=O)c1ccc(Oc2ccc3nncn3n2)cc1,CID4336208,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccc(Oc2ccc3nnc(C)n3n2)cc1,CID869724,,0.0,,,,,,,,,,,,,,,
O=C(CN1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1)Nc1ccc2c(c1)OCCO2,CID653925,,,,,0.0,,,,,,,,,,,,
Cc1ccc2c(c1)nnn2C1CCN(CC(=O)Nc2ccc3c(c2)OCCO3)CC1,CID645380,0.0,0.0,0.0,,,,,0.0,,,,,,,,,
O=C1CC(C(=O)Nc2ccc(Br)cc2)C2(CCCC2)O1,CID2957355,0.0,,,,,,,,0.0,,0.0,,,,,0.0,
O=C1CC(C(=O)Nc2ccccc2)C2(CCCC2)O1,CID564425,,0.0,,,,,,0.0,,,,,,,,0.0,0.0
Cc1ccccc1NC(=O)COC(=O)CCc1ccccc1,CID1690080,,,,,,,,,,,,,,,0.0,,
COc1cc(CCC(=O)OCC(=O)Nc2ccccc2C#N)cc(OC)c1OC,CID2338236,,,,,,,,,,,,,,,0.0,,
COc1ccc(Cn2nnnc2CN2CCc3ccccc32)cc1,CID652034,,0.0,0.0,0.0,,,,,,,,,0.0,,,,
COc1ccc(Cn2nnnc2C(C(C)C)N2CCc3ccccc32)cc1,CID653968,,,,,,,,,,,,,0.0,,,,
CCc1nc(OCC(=O)c2ccccc2)c(C#N)c2c1COC(C)(C)C2,CID1915472,,,,,,,,,0.0,,0.0,,,,,,
Cc1nc(OCC(=O)c2ccc(Cl)cc2)c(C#N)c2c1COC(C)(C)C2,CID1919977,,,,,,0.0,,,,0.0,,,,0.0,,,
Cc1nc2ccccc2n1CC(O)Cn1c(C(F)(F)F)nc2ccccc21,CID3243912,0.0,,,,0.0,,0.0,,,,,,,,,,0.0
Nc1ccc2c(c1)ncn2CCCn1cnc2cc(N)ccc21,CID1204171,,,,0.0,,,,,,,,,,,,,
O=C(NCc1cccs1)C1CCN(S(=O)(=O)c2cccs2)CC1,CID3243911,,,,,,,,,,,0.0,,,,,,
O=C(NCc1cccs1)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1,CID3244525,,,,,0.0,,,,,,,,,,,,
COc1ccc2[nH]c(C)c(CCN3C(=O)C4CC=CCC4C3=O)c2c1,CID3919688,,,,,0.0,0.0,,0.0,,,,,,,,,
O=C1C2CC=C(Cl)CC2C(=O)N1CCc1c[nH]c2ccccc12,CID3142721,,,,,,,,,,,,,0.0,,,,0.0
Cn1c(=O)cc(OCC(=O)NCc2cccnc2)c2ccccc21,CID3243918,,0.0,0.0,,0.0,,,0.0,,,,,,,,,
CCn1c(=O)cc(OCC(=O)NCc2cccnc2)c2ccccc21,CID3244829,,,,,0.0,,,,,,,,,,,,
COCCn1c(N)c(C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)c2nc3ccccc3nc21,CID1931799,,,,,0.0,,,,,,0.0,,,,,,
COCCCn1c(N)c(C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)c2nc3ccccc3nc21,CID1930463,,,,,,,,,,,0.0,,,,,,
NC(=O)C1=CC(c2ccc3c(c2)OCO3)CC(OCc2ccc(CO)cc2)O1,CID16197181,,,,,,,,,,,,,,,0.0,,
O=C(O)C1=CC(c2ccc3c(c2)OCO3)CC(OCc2ccc(CO)cc2)O1,CID6670525,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(C)=O)C2c2ccccn2)cc1,CID649010,,0.0,,,,,0.0,,,,,,,,,,
CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccccn1,CID3155850,,,,,,,,,,,0.0,,,0.0,,,
Nn1c(SCC(=O)N2CCCCC2)nnc1-c1ccncc1,CID2062280,,0.0,,0.0,0.0,,,0.0,,0.0,,,0.0,,,0.0,
CC1CCN(C(=O)CSc2nnc(-c3ccncc3)n2C)CC1,CID1071779,,,,,,,,,,,0.0,,,,,,
O=C1c2ccccc2C(=O)N1Cc1nc2ccccc2c(=O)n1CCCn1ccnc1,CID1208202,0.0,,,,,0.0,,,,0.0,,,,,,0.0,
CCC(c1nc2ccccc2c(=O)n1CCCn1ccnc1)N1C(=O)c2ccccc2C1=O,CID2976321,,,,,,,,,,,0.0,0.0,,,,,
Cc1ccc(N2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1Cl,CID2236643,,,,,,,,,,0.0,,0.0,,,0.0,,
Cc1cc(C)c(N2CCN(S(=O)(=O)N3CCCCCC3)CC2)c(C)c1,CID2236768,0.0,,0.0,0.0,0.0,,,,,,,,0.0,,,0.0,0.0
COc1cc(C2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc2c1OCO2,CID655562,0.0,,0.0,,,,,0.0,,,0.0,,,,,0.0,
Cc1[nH]nc2c1C(c1ccc3c(c1)OCO3)C(C#N)=C(N)O2,CID600133,,,,,,,,0.0,,,0.0,,,,,,
Cc1cc(C)nc(N2CCC(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)CC2)n1,CID655569,,,,,,,,,,,,,0.0,,,,
Cc1ccc(C)c(N2CCN(C(=O)C3CCN(c4nc(C)cc(C)n4)CC3)CC2)c1,CID646291,0.0,,0.0,,,,,,,,,,,,0.0,0.0,0.0
C=CCn1c(=S)[nH]c2scc(-c3cccs3)c2c1=O,CID1414561,,,,,,,,,,,,,,,0.0,,
Cn1c(=S)[nH]c2scc(-c3cccs3)c2c1=O,CID3746307,,,,,,,,,,,,,,0.0,,,
Cc1cccc(N(C(=O)c2csnn2)C(C(=O)NC(C)(C)C)c2cccs2)c1,CID3219219,,,,,,0.0,,,,,,,,,,,
Cc1ccc(N(C(=O)c2csnn2)C(C(=O)NC(C)(C)C)c2cccs2)cc1,CID3219238,,,,,,0.0,,,,,,,,,,,
CC1=C(C(=O)OC(C)C)C(c2ccccn2)N2NC=NC2=N1,CID5308332,,0.0,0.0,0.0,,,,,,,,,,,,0.0,
COC(=O)C1=C(C)N=C2N=CNN2C1c1ccccn1,CID5711619,,,,,,,,,,,,,0.0,,,,
Cc1cc(C)nc(SCCS(=O)(=O)Cc2ccccc2)n1,CID675677,,,0.0,,,,0.0,,,0.0,0.0,,0.0,0.0,0.0,,
Cc1cc(C)nc(SCCS(=O)(=O)Cc2ccc(Cl)cc2)n1,CID1015202,,,,,,,,,0.0,,,,,0.0,,,
COC(=O)c1[nH]c2c(c1C)C(=O)CC(c1cccs1)C2,CID2964934,,,,0.0,0.0,,,,,,0.0,,,,,,
Cc1c(C(=O)OCC(C)C)[nH]c2c1C(=O)CC(c1cccs1)C2,CID3616903,,,,,,,,,,,0.0,,,,,,
O=C(c1cnc2ccccn2c1=O)N1CCc2ccccc21,CID3235792,,,0.0,,,,,,,,,,,,,,
CC1Cc2ccccc2N1C(=O)c1cnc2ccccn2c1=O,CID3245161,,,,,0.0,,,0.0,,,,,,,,,
COc1cc2c(=O)n(Cc3ccccc3)c(=O)n(CC(=O)NCc3ccco3)c2cc1OC,CID3235794,,,0.0,,,,,0.0,0.0,0.0,,,,,,,
O=C(Cn1c(=O)n(Cc2ccccc2)c(=O)c2ccccc21)NCc1ccco1,CID7398210,,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1c(C)n(C)c2ccc(OCC(O)Cn3nc(C)c(Br)c3C)cc12,CID2954479,0.0,,,,,,0.0,,,,,0.0,,,,0.0,0.0
CCOC(=O)c1c(C)n(C)c2ccc(OCC(O)Cn3nc(C)cc3C)cc12,CID2956626,,,,0.0,0.0,,0.0,,,,,,0.0,0.0,,,
COc1ccc(CCNC(=O)COC(=O)c2ccc[nH]c2=O)cc1,CID2346594,,,,,,,,,,,,,,,0.0,,
O=C(COC(=O)c1ccc[nH]c1=O)NCCc1ccc(F)cc1,CID4879964,,,,,,,,,,,,,,,0.0,,
CCN1CCN(CCNC(=O)c2ccc(CS(=O)(=O)c3c(Cl)cccc3Cl)o2)CC1,CID5307454,0.0,,,,,,,,0.0,,,,,,0.0,,
CCN1CCN(CCNC(=O)c2ccc(CS(=O)(=O)c3ccccc3C)o2)CC1,CID3243533,,,,,0.0,,0.0,0.0,0.0,0.0,,,,,,0.0,
COc1cccc2c(=O)c(C(=O)NCc3cccs3)c[nH]c12,CID645818,,0.0,,0.0,0.0,,1.0,,,,,,,,,,
Cc1ccc2[nH]cc(C(=O)NCc3cccs3)c(=O)c2c1,CID3217726,,,,,,,,,,0.0,,,,,,,
CC(=O)Nc1ccccc1C(=O)OCC(=O)c1ccc2ccccc2c1,CID902723,,,,,,0.0,,,,,,,,,,,
CCC(=O)Nc1ccccc1C(=O)OCC(=O)c1ccc2ccccc2c1,CID1218320,,,,,,,,,,,,,,,0.0,,
CSc1nnc2c(n1)c(C)nn2-c1cccc(C)c1,CID9549736,,,,,,,,,,,,,,,0.0,,
CSc1nnc2c(n1)c(C)nn2-c1ccc(C)cc1,CID6403411,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C(=O)N/C(=C\c2sccc2C)C(=O)NCc2ccco2)cc1,CID5349498,,,,,,0.0,,,,,,,,,,,
CC(C)(C)c1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2ccco2)cc1,CID2188247,,,,,,0.0,,,,,,,,,,,
Cc1cc(C)nc(N/N=C/c2ccco2)n1,CID2840234,,,,,,,,,,,,0.0,,0.0,,,
Cc1ccnc(N/N=C/c2ccco2)n1,CID2849269,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccc(Cn2cnc3c(sc4nc(N5CCOCC5)c5c(c43)CCCC5)c2=O)o1,CID661673,,0.0,0.0,,,,,,,,,,,,,,0.0
O=c1c2sc3nc(N4CCOCC4)c4c(c3c2ncn1Cc1ccco1)CCCC4,CID661666,,0.0,,,,,,0.0,,,,,,,,,0.0
COC1CCCN(Cc2cn(C)nc2-c2ccc(Oc3ccccc3)cc2)C1,CID16191202,,,,,,,,,,,,,,0.0,,,
Cn1cc(CN2CCCC(CO)C2)c(-c2ccc(Oc3ccccc3)cc2)n1,CID16191961,,,,,,,,,,,,,,0.0,0.0,,
CCOC(=O)C(CC)n1cnc2c(oc3ccccc32)c1=O,CID3242367,,,,,,0.0,0.0,,,,,,,,,,
CCOC(=O)C(C)n1cnc2c(oc3ccccc32)c1=O,CID3243158,,,0.0,,,,,,,,,,,,,,0.0
O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1)c1cccs1,CID1257729,,0.0,,,0.0,,,,,,,0.0,0.0,,,,
O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)c1cccs1,CID645161,,,0.0,,,,,0.0,,,,,,,,,
Cc1ccc(NC(=O)NC2C(NC(=O)Nc3ccc(C)cc3)N(C)C(=O)N2C)cc1,CID2841589,,,,,,,,,,,0.0,,,,,,
CN1C(=O)N(C)C(NC(=O)Nc2ccccc2)C1NC(=O)Nc1ccccc1,CID657442,,0.0,,,,,,,,,,,,,,0.0,0.0
CCC(Sc1ncccc1C(=O)OC(C)C)C(=O)NCc1ccco1,CID5086039,,,,,,0.0,,,,,,,,,,,
COCc1cc(C)nc(SCC(=O)NCc2ccco2)c1C#N,CID672043,,0.0,0.0,,,,0.0,0.0,0.0,,0.0,,,,,0.0,
COc1cccc(CC(=O)Nc2nc(-c3cccnc3)cs2)c1,CID2441451,,,,,,,,,,,,,,0.0,,,
COc1ccc(CC(=O)Nc2nc(-c3cccnc3)cs2)cc1,CID2161245,,,,,,,,,,,,,,0.0,,,
COc1ccccc1NC(=O)CCN1CCN(CCC(=O)Nc2ccccc2OC)CC1,CID662328,0.0,,0.0,,,,0.0,,,,,,,,,0.0,0.0
COC(=O)c1ccc(NC(=O)CCN2CCN(CCC(=O)Nc3ccc(C(=O)OC)cc3)CC2)cc1,CID3131846,,,,,,,,,,,,,,,0.0,,
COc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccc4c(C)cc(=O)oc4c3)CC2)cc1,CID662320,,,,,,,,0.0,,0.0,,,0.0,,,,
CCC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccc4c(C)cc(=O)oc4c3)CC2)cc1,CID4833562,,,,,,,,,,0.0,,,,,0.0,,
Cc1ccc2cc(C#N)c(N3CCCN(C(=O)C4CCCO4)CC3)nc2c1,CID656052,,0.0,,,,0.0,,,,,,,,,,,
Cc1ccc2cc(C#N)c(N3CCCN(C(=O)C4CCCO4)CC3)nc2c1C,CID652067,,,,,0.0,,,,,,,,0.0,,,,
O=C(NCCCn1ccnc1)c1noc2c1CCc1ccccc1-2,CID3242272,,0.0,,,,,,1.0,,,,,,,,,
COc1ccc2c(c1)CCc1c(C(=O)NCCCn3ccnc3)noc1-2,CID3238932,,,,0.0,,,,0.0,,,,,,,,,
CCn1cc(C(=O)NCC2CCCO2)c(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc21,CID3242275,,,,,0.0,0.0,,,0.0,0.0,,0.0,,0.0,,,0.0
C=CCn1cc(C(=O)NCC2CCCO2)c(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc21,CID3245540,,,,0.0,0.0,,,,,,,,0.0,,,,
O=C(c1c[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O)N1CCN(c2ccccn2)CC1,CID3237301,,,,,,,0.0,,,,,,0.0,,,,0.0
Cn1cc(C(=O)N2CCN(c3ccccn3)CC2)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21,CID3236304,,,,,,,,0.0,,,,,,,,,
O=C1CCCc2[nH]nc(-c3cccnc3)c21,CID3237304,,0.0,,,,,,,,,0.0,0.0,,,,,
CC1(C)CC(=O)c2c(-c3cccnc3)n[nH]c2C1,CID712791,,,0.0,,,,0.0,,,0.0,,0.0,,,0.0,,
CCn1c(C)nc2cc(C(=O)n3cc(C(=O)c4ccccc4O)cn3)ccc21,CID2451942,,,,,,0.0,,,,,,,,,0.0,,
CCn1c(C)nc2cc(C(=O)n3cc(C(=O)c4cc(F)ccc4O)cn3)ccc21,CID2431792,,,0.0,0.0,,,,0.0,,,,,,,,,
COc1nc(NCCN2CCOCC2)nc(Nc2ccccc2)n1,CID694565,,,,,,,0.0,,,,,,,,,0.0,
CCOc1ccc(Nc2nc(NCCN3CCOCC3)nc(OC)n2)cc1,CID652345,,0.0,,,,,,,,,,,,,,,
Cc1nn(Cc2ccc([N+](=O)[O-])cc2)c(=O)n1-c1ccccc1,CID3380666,,,,,,0.0,,,,,,,,,,,
Cc1ccc(Cn2ncn(-c3ccccc3)c2=O)cc1,CID1480910,,,,,,,,,,,,,,,0.0,,
CN1CCN(c2ccc([N+](=O)[O-])c3cccnc23)CC1,CID2829619,,,,,,0.0,,,,,,,,0.0,,,
O=[N+]([O-])c1ccc(N2CCN(CCO)CC2)c2ncccc12,CID2729735,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(NC(=O)C(C)Oc2ccccc2C(=O)Nc2ccc(C)c(Cl)c2)cc1,CID2961024,,,,,,0.0,,,,,,,,,,,
COc1ccccc1NC(=O)COc1ccccc1C(=O)Nc1ccccc1,CID1260116,,,,,,,,,,,,,,,0.0,,
S=C1CN=C(c2ccccc2Cl)c2cc(Cl)ccc2N1,CID826703,,,,,,,,,,,,,,0.0,,,
S=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1,CID826706,,,,,,,,,,,,,,0.0,,,
O=C(CSc1nnc(Cc2ccccc2)o1)NCc1ccco1,CID2649562,,0.0,,,0.0,,0.0,,,,0.0,,,,,,
COc1ccc(Cc2nnc(SCC(=O)NCc3ccco3)o2)cc1,CID1326212,,,,,0.0,,0.0,0.0,,,0.0,,,0.0,,0.0,
COc1ccc(C(=O)CN(C(=O)c2ccc(Cl)cc2)N2C(=O)c3ccccc3C2=O)cc1,CID1266747,,,,,,0.0,,,,,,,,0.0,,,
Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)cc2)N2C(=O)c3ccccc3C2=O)cc1,CID1263325,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-c2nnc3sc(-c4ccc5c(c4)OCCO5)nn23)cc1,CID989980,0.0,,,,0.0,,,,,,,,,,,0.0,
Brc1ccccc1-c1nnc2sc(-c3ccc4c(c3)OCCO4)nn12,CID1867437,,,,,,,,,,,0.0,,,,,,0.0
C=CCn1c(=O)c2c3c(sc2n2c(Nc4ccccc4)nnc12)CCCC3,CID1190011,,,,,,,,,,,0.0,,,,,,
C=CCn1c(=O)c2c3c(sc2n2c(Nc4ccc(OC)cc4)nnc12)CCCC3,CID1288687,,0.0,,,,,,,,,0.0,,0.0,,,0.0,
Cc1ccsc1/C=C1\SC(=S)N(CC(C)C)C1=O,CID1521908,,,,,,0.0,,,,,,,,,,,
CCOC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S,CID1584587,,,,,,0.0,,,,,,,,,,,
CON/C=C(\C=N\c1ccc(F)cc1)c1ncc(C(F)(F)F)cc1Cl,CID5938579,,,,,,,,,,,,0.0,,,,,
CON/C=C(\C=N\c1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl,CID5706980,,,,,,,,,,,,0.0,,,,,
CC12CCC(C(=O)O)(C/C1=N\O)C2(C)C,CID2770862,,,,,,,0.0,,,,,,,0.0,,,
CC1C2CC(C(CN(C)C)/C2=N/O)C1(C)C,CID2833899,,,,,,0.0,,0.0,,,,,0.0,,,,
O=C(O)c1ccccc1C(=O)OCCCCOC(=O)c1ccccc1C(=O)O,CID2275799,,,,,,,0.0,,,,,,,,,,
O=C(OCC(O)C(O)COC(=O)c1ccccc1)c1ccccc1,CID569984,,,,,0.0,,,,,,,,,,,,
Cc1cc(NC(=O)COc2ccccc2)n(-c2ccccc2)n1,CID2310735,0.0,0.0,,0.0,,0.0,,,,,0.0,0.0,0.0,,,,
Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(-c2ccccc2)n1,CID2316284,,,,,,,,,0.0,,,,,,,,
Cn1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c2ccccc21,CID2020178,,,,,,0.0,,,,,,,,0.0,,,
O=C(O)Cn1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c2ccccc21,CID1976884,,,,,,,,,,,,,,0.0,0.0,,
CCCCCN1C(=O)/C(=C2/NC(=O)c3ccccc3N2)C(=O)c2ccccc21,CID5338106,0.0,,,,,,,,,,,,,,,,0.0
CCCCCCN1C(=O)/C(=C2/NC(=O)c3ccccc3N2)C(=O)c2ccccc21,CID6398926,,,,,,,,0.0,,,,,,,,,
Cc1ccc2nc(NC(=O)c3ccc4ncsc4c3)sc2c1,CID5147554,,,,,,,,,,,0.0,,,,,,
COc1ccc2nc(NC(=O)c3ccc4ncsc4c3)sc2c1,CID3361722,0.0,0.0,,,0.0,,,,,,0.0,,,,,,
CCN1CCN(C2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)CC1,CID734026,,,,,,,,,,0.0,,0.0,,,,,
CN1CCN(C2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)CC1,CID653933,0.0,0.0,0.0,,,,0.0,,,0.0,,,0.0,,0.0,0.0,1.0
COc1ccc(S(=O)CC(=O)Nc2ccccc2Cl)cc1,CID1486413,,,,,,,,,,,,,,0.0,,,
O=C(CS(=O)c1cccc(Cl)c1)Nc1ccccc1Cl,CID4358481,,,,,,,,,,,,,,,0.0,,
COc1cc2cc(C(=O)Nc3ccccc3)c(N)nc2cc1OC,CID615754,,,0.0,,,,,,0.0,,0.0,,,,,,
COc1ccccc1NC(=O)c1cc2ccccc2nc1C,CID2090990,,,,,,,,,,,,,,0.0,,,
Cc1c(OCc2ccccc2)c(=O)ccn1Cc1ccc(F)cc1,CID3623031,,,,,,,,,,,,,,0.0,,,
Cc1c(OCc2ccccc2)c(=O)ccn1Cc1ccccc1,CID660782,0.0,,0.0,,,,,0.0,,,,0.0,,,0.0,,
COCCNC(=O)C(c1ccc(O)cc1)N(Cc1ccco1)C(=O)CCC(=O)Nc1nccs1,CID650305,,,0.0,,0.0,,,0.0,,,,,0.0,,,,0.0
COCCNC(=O)C(c1ccc(F)cc1)N(Cc1ccco1)C(=O)CCC(=O)Nc1nccs1,CID656031,,,0.0,,0.0,,,0.0,,,,,0.0,,,,0.0
Cn1c(SCc2cc(=O)[nH]c3ccccc23)nnc1-c1ccc(Br)cc1,CID1147139,,,,,,,,,0.0,,,,,,,,
Cc1cccc(-c2nnc(SCc3cc(=O)[nH]c4ccccc34)n2C)c1,CID645251,0.0,,0.0,,0.0,0.0,0.0,,,,,,,,,0.0,0.0
COc1ccc(CNC(=O)c2cc(-n3cnnc3)ccc2Cl)cc1,CID834465,,0.0,0.0,,,,,,0.0,,,,0.0,,0.0,0.0,0.0
O=C(NCc1ccccc1)c1cc(-n2cnnc2)ccc1Cl,CID834475,0.0,,0.0,,,,0.0,,,,,,,,0.0,0.0,0.0
CC1CCCCN1CCNC(=O)C1CCN(S(=O)(=O)N2CCCCC2)CC1,CID3238739,,,0.0,,,,,0.0,,,,,0.0,,,,
CC1CCCC(C)N1CCNC(=O)C1CCN(S(=O)(=O)N2CCCCC2)CC1,CID3237702,,,,0.0,,,,,,,,,,,,,
Nc1nc(-c2ccco2)nn1C(=O)CCc1ccccc1,CID757197,0.0,,0.0,,,,0.0,0.0,,,,0.0,0.0,,0.0,,
CSc1nc(-c2ccco2)nn1C(=O)CCc1ccccc1,CID976848,,,,,,0.0,,,,,,,,,0.0,,
Clc1ccc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1,CID2564302,,,,,,,,,,0.0,,,,,,,
Cc1ccc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1,CID2564308,,,,,,,,,,,,,,0.0,,,
O=C(Oc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2)nc2ccccc12,CID1336857,,,,,,0.0,,,,,,,,,,,
O=C(Oc1cccc([N+](=O)[O-])c1)c1cc(-c2ccccc2)nc2ccccc12,CID1299771,,,,,,,,,,,,,,0.0,,,
Cc1ccc2c(c1)c1c(n2CC(O)Cn2nc(C)c(Br)c2C)C(=O)CCC1,CID3237502,0.0,,,,,,,,,,,0.0,,,,0.0,
CC(=O)c1c(C)nn(CC(O)Cn2c3c(c4cc(C)ccc42)CCCC3=O)c1C,CID652924,,,,,0.0,0.0,0.0,,,,,,,0.0,,,
Cn1c(SCC(=O)N2CCCC2)nc2ccccc2c1=O,CID653656,,0.0,,,,,0.0,,,,,0.0,,,,,0.0
CCn1c(SCC(=O)N2CCCC2)nc2ccccc2c1=O,CID644501,,0.0,,,,,0.0,0.0,,,,0.0,,,,,0.0
COc1ccc(CN(CC(=O)NCC2CCCO2)C(=O)CCC(=O)Nc2cc(C)ccn2)cc1,CID649316,,,,,,,,,,,0.0,,0.0,,,,
Cc1ccnc(NC(=O)CCC(=O)N(CC(=O)NCC2CCCO2)Cc2ccc(F)cc2)c1,CID647436,,0.0,,0.0,,,,,,,,,,,,,
COc1ccc(CCNC(=O)CSc2nc(C)nc3c2c(=O)n(C)c(=O)n3C)cc1OC,CID4403802,,,0.0,,,,,0.0,,,,,,,,,
CCc1nc(SCC(=O)NCCc2ccc(OC)c(OC)c2)c2c(=O)n(C)c(=O)n(C)c2n1,CID5310061,,,,,,,,0.0,,,,,,,,,
CCn1c(SCC(=O)Nc2cccc(NC(=O)c3ccco3)c2)nnc1-c1cccs1,CID649313,,,0.0,0.0,,,0.0,,,0.0,0.0,0.0,,,,0.0,
Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)CSc1nnc(-c2cccs2)n1C,CID647872,,0.0,0.0,,,,,,0.0,0.0,0.0,0.0,0.0,,,,0.0
COc1cc2c(cc1NC(=O)Nc1ccc(F)cc1)oc1ccccc12,CID2948119,,,,,,,,,,,,,,,0.0,,
COc1ccc(NC(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1,CID2860106,,,,,,,,,,,,0.0,,,,,
Cc1nc2ccc(NC(=O)COc3ccccc3)cc2s1,CID2103273,,,,,,,,,,,,,,0.0,,,
CC(=O)c1ccc(OCC(=O)Nc2ccc3nc(C)sc3c2)cc1,CID2101602,,,,,,,,,,,,,,0.0,,,
CS(=O)(=O)c1ccc(C(=O)NCC(c2ccco2)N2CCCCC2)cc1,CID4883203,,,,,,,,,,,,,,0.0,,,
N#Cc1ccc(C(=O)NCC(c2ccco2)N2CCCCC2)cc1,CID4881623,,,,,,,,,,0.0,,,,,,,
O=C(NNC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1,CID683837,,,,,,,,,,,,,,,0.0,,
Cc1cccc(C(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)c1,CID828309,,,,,,,,,,,,0.0,,,0.0,,
Cc1ccc(S(=O)(=O)NNC(=O)c2snnc2C)cc1,CID1491449,,,,,,,,,,0.0,,,,,,,
Cc1nnsc1C(=O)NNS(=O)(=O)c1ccccc1,CID1491461,,,,,,0.0,,,,0.0,,,,,,,
CCN(CC)c1ccc(C2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1,CID2893307,,,,,,0.0,,0.0,,,,0.0,0.0,,,,0.0
CC1=C(C(=O)Nc2cc(C)ccn2)C(c2ccc(C)cc2)C2=C(CCCC2=O)N1,CID2893257,,,,,,,,0.0,,,,0.0,,,,,
CS(=O)(=O)N(CC(=O)NC1CCCCC1)Cc1ccc(Cl)cc1,CID2229371,,,,,,,,,,,,,,,0.0,,
CS(=O)(=O)N(CC(=O)NC1CCCCC1)Cc1ccc(F)cc1,CID6463230,,,,,,,,,,,,,,,0.0,,
CN(C)c1ccc(N2C(=O)CSC2=S)cc1,CID1321754,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1ccccc1N1C(=O)CSC1=S,CID1320268,,,,,,,,,,,,,,0.0,0.0,,
CN(C(=O)c1ccccn1)c1nnc(-c2cnccn2)s1,CID654102,,0.0,,,0.0,,,,,,,,,,,,
Cc1cnc(-c2nnc(N(C)C(=O)c3ccccn3)s2)cn1,CID648641,,0.0,,0.0,0.0,,0.0,,,,,,,,,,
CCCCCCSC1=C(C#N)C(c2ccc(C)o2)CC(=O)N1,CID654104,0.0,,,0.0,0.0,,0.0,0.0,,,,,,0.0,,,0.0
CCOC(=O)C1=C(C)NC(=O)C(C#N)C1c1ccco1,CID658686,,0.0,0.0,,,,,0.0,,0.0,,,0.0,,,,0.0
COc1ccccc1/C=N/NC(=O)c1csc(C)c1C,CID1227736,,,,,,,,,,,,,,0.0,,,
CCCCOc1ccc(/C=N/NC(=O)c2csc(C)c2C)cc1,CID1765165,,,,,,,,,,,,,,,0.0,,
Fc1ccccc1N1CCN(CC2CC3C=CC2C3)CC1,CID2845871,,,,,,0.0,,,,,,,,,,,
C1=CC2CC1CC2CN1CCN(c2ccccc2)CC1,CID2845487,,,0.0,,,,,,,,,,,,,,
N#Cc1nc(-c2ccc(Cl)cc2)oc1NCCc1ccccn1,CID2408627,,0.0,,,,,,,,,,,,,0.0,0.0,0.0
Cc1ccc(-c2nc(C#N)c(NCCc3ccccn3)o2)cc1,CID2999492,,0.0,,0.0,,,,,,,0.0,,,,,,
Cc1ccccc1NC(=O)Cn1c(=O)n(CC2CCCO2)c(=O)c2ccccc21,CID16003924,,,,,,,,,,,,,,,0.0,,
COc1cc2c(=O)n(CC3CCCO3)c(=O)n(CC(=O)Nc3cccc(Cl)c3)c2cc1OC,CID3237570,,0.0,,,,,,,,,,,,,,,
O=C(OCc1cc2ccccc2[nH]c1=O)c1ccncc1,CID664755,,0.0,0.0,,,,,,0.0,0.0,,,0.0,,,,
Cc1ccc2cc(COC(=O)c3ccncc3)c(=O)[nH]c2c1,CID663770,,,,,0.0,,0.0,,0.0,,,,,0.0,,,
Brc1ccccc1-c1nnc(COc2cccc3cccnc23)o1,CID2089900,,,,,,,,,,,,0.0,,,,,
Cc1ccc2c(Cl)cc(Cl)c(OCc3nnc(-c4ccccc4)o3)c2n1,CID2363793,0.0,,,,,0.0,,,,,,,,,,0.0,
Cc1cc(C(F)(F)F)c2c(=O)[nH]c(=O)n(Cc3ccccc3)c2n1,CID2353924,0.0,,,,0.0,,,,0.0,,,,,,,,0.0
Cc1cc(C)c2c(=O)[nH]c(=O)n(Cc3ccccc3)c2n1,CID2101204,,0.0,,0.0,,0.0,,,0.0,,,,,,,,
COc1ccc(CNCc2cc3c(C(C)(C)C)[nH]n(-c4ccccc4)c-3nc2=O)cc1,CID1449935,,,,,,,,,0.0,,0.0,,,,,,
Cc1ccc(CNCc2cc3c(C(C)(C)C)[nH]n(-c4ccccc4)c-3nc2=O)cc1,CID1383782,,,,,,,,,0.0,,0.0,,,,,,
CCNc1nc(NCC)nc(C(=O)Nc2ccccc2)n1,CID1088144,,,,,,,,,,0.0,0.0,,,,,,
CN(C)c1nc(C(=O)Nc2ccccc2)nc(N(C)C)n1,CID976663,,,,,,,0.0,0.0,,,,,,,,,
COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1,CID2405975,,,,,,,,,,,,,,,0.0,,
O=C(COC(=O)c1ccccc1C(=O)c1ccccc1)Nc1ccc(SC(F)F)cc1,CID2389587,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CNCc2ccccc2)n1,CID2334593,,,,,,,,,,,0.0,,,,0.0,,
CCN(CC(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1)Cc1ccccc1,CID2334502,,,,,,0.0,,,,,,,,0.0,,,
COc1cc(C2=NOC(C(=O)N3CCCCCC3)C2)cc(OC)c1OC,CID3239014,,,,,0.0,0.0,0.0,,,,,,0.0,,,,
COc1ccc(C2=NOC(C(=O)N3CCCCCC3)C2)cc1OC,CID3237114,0.0,,,0.0,,0.0,,,,,,,,,,,0.0
COc1cccc(NC(=O)c2ccc3c(c2)N(CC(=O)N2CCCCC2)C(=O)C(C)(C)O3)c1,CID645333,,,,,0.0,,,0.0,0.0,0.0,,0.0,,,,,
Cc1ccc(NC(=O)c2ccc3c(c2)N(CC(=O)N2CCCCC2)C(=O)C(C)(C)O3)cc1,CID653410,0.0,,0.0,,0.0,,,0.0,0.0,,,,0.0,,,,
Cc1[nH]nc2c1C(CCc1ccccc1)C(C#N)=C(N)O2,CID659290,,,,,,,0.0,0.0,,0.0,0.0,,,,,,
CCCc1[nH]nc2c1C(CCc1ccccc1)C(C#N)=C(N)O2,CID3238019,,,,,,,0.0,,,,,,0.0,,,0.0,
CC(O)Cn1ccccc1=N,CID659298,,,,,,,,0.0,,,,,,,,,
CC(=O)/N=c1\cccc(NC(C)=O)n1O,CID790237,,0.0,,,,,,,0.0,,,,,,,,
CCN1C(=O)c2ccc(C(=O)NCc3ccccc3)cc2C1=O,CID976512,,0.0,,,0.0,,,0.0,0.0,,0.0,,,,,0.0,
CN1C(=O)c2ccc(C(=O)NCc3ccccc3)cc2C1=O,CID893030,,,0.0,0.0,,,0.0,0.0,,0.0,,,,,,,
CCCCCNc1nc(N2CCCC2)c2c(c1C#N)CCN(C)C2,CID658123,,,0.0,0.0,,0.0,0.0,,,,,0.0,,,0.0,,
CC(C)CCNc1nc(N2CCCC2)c2c(c1C#N)CCN(C)C2,CID666067,,0.0,,,,,,,,,0.0,,,,,,
[O-][N+]1=C(c2cccs2)CN(O)C1,CID658124,,,,,,,,,,,,0.0,,0.0,,,
CC1(C)N(O)CC(c2cccs2)=[N+]1[O-],CID871986,,,,,,,,,,,,,0.0,,0.0,,
NC1=C(c2ccccc2)C(=O)C2CCc3ccccc3N12,CID2997671,0.0,,,0.0,,,,,,,,,,,,,
NC1=C(c2ccc(Br)cc2)C(=O)C2CCc3ccccc3N12,CID2997924,,,,,,,,,,,,,,,,,0.0
CCCN(CCC)c1nc(=O)nc(N(CCC)CCC)[nH]1,CID1506214,,,,,,,,,,,,,,0.0,,,
CCN(CC)c1nc(=O)nc(N(CC)CC)[nH]1,CID31130,,,,0.0,,,,0.0,,,,,0.0,,,,
Cc1csc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)n1,CID2366866,,,,,,,,,,,,,,0.0,,,
Cc1ccc(-c2cc(C(=O)Nc3nccs3)c3ccccc3n2)o1,CID1358325,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C(=O)Nc2nnc(-c3ccco3)o2)cc1,CID4656855,,,,,,,,,,,,,,0.0,,,
O=C(Nc1nnc(-c2ccco2)o1)c1ccc(Cl)cc1,CID5223276,,,,,,,,,,,,,,,0.0,,
Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)csc1-c1ccccc1,CID801366,,,,,,,,,,,,,,0.0,,,
Cc1c(C(=O)Nc2ccccc2[N+](=O)[O-])csc1-c1ccccc1,CID2920564,,,,,,,,,,,,,,0.0,,,
N#CCSc1nc2ccccc2c2nc3ccccc3n12,CID4526263,,,,,,,,,,,,,,,0.0,,
CCc1nc2ccccc2c2nc3ccccc3n12,CID1489019,,,,,,0.0,,,,,0.0,,,,,,
COC(=O)C(NC(=O)c1ccco1)(Nc1nc(C)cs1)C(F)(F)F,CID660460,,0.0,,,0.0,,,,0.0,0.0,,,,,,,0.0
CCOC(=O)c1sc(NC(NC(=O)c2ccco2)(C(=O)OC)C(F)(F)F)nc1C,CID3242223,0.0,,,,0.0,,,0.0,,0.0,,,,,,,
COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccccc2OC)cc1,CID1237343,,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(F)cc1)c1ccccc1Br,CID2243914,,,,,,,,,,,,0.0,,,,,
Cc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1S(=O)(=O)NCCN1CCOCC1,CID662825,,,,,0.0,,,,,,,,,,,,
Cc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1S(=O)(=O)NCCN1CCOCC1,CID2006835,,,0.0,,0.0,,,,,,,,,,,,
CN1CCN(C(=O)CCCOc2ccc(Cl)cc2Cl)CC1,CID2056145,0.0,,,,,,0.0,,,,,,0.0,,,,
Cc1cc(Cl)ccc1OCCCC(=O)N1CCN(C)CC1,CID2082722,,,,,,0.0,,,,0.0,,,,,,,
Cc1ccc(NC(=O)c2cc(NC(=O)C3CC=CCC3C(=O)O)ccc2N2CCOCC2)cc1,CID2928301,,,,,,,,0.0,,,,,,,,,
Cc1cccc(NC(=O)c2cc(NC(=O)C3CC=CCC3C(=O)O)ccc2N2CCOCC2)c1,CID2960828,,,,,,,,0.0,,,0.0,,,,0.0,,
CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCCCC2,CID1123738,,,,,,0.0,,,,,,,,,,,
O=C(Nc1sc2c(c1C(=O)O)CCCCC2)c1ccccc1,CID755449,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C1CCCN(C(=O)c2cn(CC)c3ccc(S(=O)(=O)N4CCCC4)cc3c2=O)C1,CID3236777,,,,,,,,,,,0.0,,,,,,0.0
CCOC(=O)C1CCCN(C(=O)c2cn(C)c3ccc(S(=O)(=O)N4CCCC4)cc3c2=O)C1,CID3239164,,,,,,,,0.0,,,0.0,,0.0,,,0.0,
COc1ccc(S(=O)(=O)N(C)CC(=O)NCCC2=CCCCC2)cc1C,CID2215724,,,,,,,,,,,0.0,,,,,,
COc1ccc(S(=O)(=O)N(C)CC(=O)NCCC2=CCCCC2)cc1,CID1815555,,,,,,,,,,,,,,,,,0.0
Cc1cccc(NC(=O)CSc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)c1C,CID1358578,,,,,,0.0,,,,,,0.0,,,,,
Cc1cc(C)c(NC(=O)C(C)Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)c(C)c1,CID2879561,,,,,,,,,,,,,,,0.0,,
O=C(NCc1ccco1)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1,CID2082775,,,,,,,,,,,,,,,0.0,,
O=C(NCc1ccco1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1,CID2082190,,,,,,,,,,,,,,0.0,,,
CC1(C)C=C(c2ccc(O)cc2)CC(C)(C)N1,CID612147,0.0,,,0.0,,0.0,,0.0,,0.0,0.0,0.0,,,,,0.0
O=C(O)CCC(=O)N1CC=C(c2ccccc2)CC1,CID757169,,,,,,,,,0.0,0.0,,,,,0.0,,
CCn1c(=O)cc(SCC(=O)NCc2cccnc2)c2ccccc21,CID3245052,0.0,0.0,,,0.0,,,0.0,,,,,,,,,
Cn1c(=O)cc(SCC(=O)NCc2cccnc2)c2ccccc21,CID3244038,0.0,0.0,0.0,,0.0,,,,,,,,,,,,
O=C(NC1CCCCC1)C1CCN(S(=O)(=O)c2cccs2)CC1,CID2088500,,,0.0,,0.0,,0.0,,0.0,0.0,0.0,,,0.0,,,
CN(C(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)C1CCCCC1,CID2330102,,,,,,,0.0,,0.0,0.0,0.0,,0.0,0.0,0.0,,
Cc1nc2ccccc2c(=O)n1NCc1cc(Br)cs1,CID3244982,,,,,,,,,,,,,,,,,0.0
Cc1nc2ccccc2c(=O)n1NCc1cccs1,CID3244368,,0.0,,,,0.0,,,,,,,0.0,,,,
NC1=NC(=O)/C(=C\c2cccs2)S1,CID1205038,,,,,,,,,,,,,,,0.0,,
C=CCSC1=NC(=O)/C(=C/c2cccs2)S1,CID1803359,,,,,,,,,,,,,,0.0,,,
COc1cc(-c2noc(CCCC(=O)NC3CCCCC3)n2)cc(OC)c1OC,CID2037175,,,,,,,,,0.0,0.0,,0.0,,,,,
O=C(CCCc1nc(-c2ccccc2Cl)no1)NC1CCCCC1,CID2234500,0.0,,,,,,0.0,,,,,,,,0.0,,0.0
COc1ccc(C(=O)NCC(=O)OCc2csc(-c3ccccc3)n2)cc1,CID2126875,,,,,,,,,,,,,,0.0,,,
COc1cc(OC)cc(C(=O)NCC(=O)OCc2csc(-c3ccccc3)n2)c1,CID2121321,,,,,,,,,,,,,,,0.0,,
CC1CCN(S(=O)(=O)c2ccc3c(c2)C(=NO)c2cc(S(=O)(=O)N4CCC(C)CC4)ccc2-3)CC1,CID1540666,,,,,,,,,,,0.0,,,,,,
O=S(=O)(c1ccc2c(c1)C(=NO)c1cc(S(=O)(=O)N3CCCCC3)ccc1-2)N1CCCCC1,CID654092,,,,,,0.0,0.0,,,,,,,,,,
COc1ccc(NC(=O)CSc2nc(N)c(C(=O)Nc3ccc(N(C)C)cc3)s2)cc1,CID2904655,,,,,,,,,0.0,,,0.0,,,,,
CN(C)c1ccc(NC(=O)CSc2nc(N)c(C(=O)Nc3ccc(N(C)C)cc3)s2)cc1,CID1604981,,,,,,,,,0.0,,,,,,,,
COC(=O)C1=C(C)N=C2N=CNN2C1c1ccco1,CID5741565,,,,,,,,0.0,,,,,,,,,
COC(=O)C1=C(C)N=C2N=CNN2C1c1ccc(C)o1,CID5309312,,,,,,,,0.0,,,,,,,,,
Cc1ccc(N(Cc2ccc(C(=O)NC3CCCCC3)cc2)S(C)(=O)=O)cc1C,CID1107886,,,,,,,,,,,,,,0.0,,,
CS(=O)(=O)N(Cc1ccc(C(=O)NC2CCCCC2O)cc1)c1ccccc1,CID2865250,,,,,,,,0.0,,,,,,,,,
COc1ccc(NC(=O)N(C2CCCCC2)C(C)c2ccco2)c(OC)c1,CID3235813,,,,0.0,,,,0.0,0.0,,,0.0,,,,,
CC(c1ccco1)N(C(=O)Nc1ccccc1)C1CCCCC1,CID4064420,,,,,,,,,,,0.0,,,,,,
O=c1c2c(nc3cc(-c4ccccc4Cl)[nH]n13)CCS2,CID798587,,,,,,,,,,,,,,,0.0,,
O=c1c2c(nc3cc(-c4cccc(Cl)c4)[nH]n13)CCS2,CID784618,,,,,,0.0,,,,,,,,,,,
O=c1[nH]nc(CNc2ccccc2)c2ccccc12,CID1482294,,,,,,,,,,,,0.0,,,,,
O=c1[nH]nc(CNc2ccc(O)cc2)c2ccccc12,CID1482943,,,,,,,,,,0.0,,,,,,,
O=C(Nc1ccon1)c1cnc2sccn2c1=O,CID3236177,,,,0.0,,,,,,0.0,0.0,0.0,0.0,,,,
Cc1csc2ncc(C(=O)Nc3ccon3)c(=O)n12,CID3237796,,,,0.0,,,,0.0,,0.0,,0.0,,,,,
Clc1ncc(CSc2ccccc2)s1,CID1480671,,,,,,,,,,,,,,0.0,0.0,,
O=C(O)c1ccc(SCc2cnc(Cl)s2)cc1,CID1480675,,,,,,0.0,,,,,,,,0.0,,,
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccoc3)C2=O)cc1,CID1909759,,,,,,,,,,,,,,0.0,,,
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccoc1,CID2201802,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)c(OC)c1OC,CID2407806,,,,,,,,,,,,,,0.0,,,
CN(C)S(=O)(=O)c1ccc(C(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)cc1,CID2079604,,,,,,,,,,,,,,0.0,,,
O=C(NC1CCS(=O)(=O)C1)c1cccc(S(=O)(=O)N2CCOCC2)c1,CID2941352,,,,,0.0,,0.0,,,,,,,,,,
Cc1ccc(C(=O)NC2CCS(=O)(=O)C2)cc1S(=O)(=O)N1CCOCC1,CID2974386,,,,,0.0,,,,,,,,,,,,
CSc1ccc(/C=C(\C(=O)O)c2ccc(S(=O)(=O)N3CCCCC3)s2)cc1,CID6535149,,,,,,,,,,,,,,0.0,,,
O=C(O)/C(=C\c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(S(=O)(=O)N2CCCCC2)s1,CID2381244,,,,,,,,,,,,,,0.0,,,
O=C(CN(C(=O)CCC(=O)Nc1nccs1)c1ccc(F)c(Cl)c1)NCc1ccco1,CID654801,0.0,,,,0.0,,,,,,,,0.0,,,,0.0
O=C(CN(C(=O)CCC(=O)Nc1nccs1)c1ccc(F)cc1)NCc1ccco1,CID649693,0.0,,,,,,,0.0,,0.0,,,,0.0,,,
CCOc1ccc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc1,CID2185018,,,,,,,,,0.0,,0.0,,,0.0,,,
COc1ccc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc1,CID2190841,,,,,,0.0,,,,0.0,0.0,,,,,,
CNC(=O)c1ccccc1N/C(O)=C1/C(=O)NC2=C(CCCC2)C1=O,CID5424890,,0.0,,,,,,0.0,,,,,,,,,
COC(=O)c1ccccc1N/C(O)=C1/C(=O)NC2=C(CCCC2)C1=O,CID5927614,,,,,,,0.0,,,,0.0,,,,,,
COc1ccccc1NC(=O)C1C2C=CC3(CN(Cc4cccnc4)C(=O)C13)O2,CID5309214,,,,,,,,,,,0.0,,,,,,
Cc1ccc(NC(=O)C2C3C=CC4(CN(Cc5cccnc5)C(=O)C24)O3)cc1,CID5308443,,,,0.0,,,,0.0,,,,,,,,,
Cc1nc2ccccc2n1CC(=O)OCC(=O)Nc1ccc2c(c1)OCCO2,CID2997955,,,0.0,,,,,,,,,,,,,,
O=C(COC(=O)Cn1cnc2ccccc21)Nc1ccc2c(c1)OCCO2,CID2998219,,,,0.0,,,,,,,,,0.0,,,,
O=C1c2ccccc2NC2(CCCC2)N1O,CID876418,,,,,,0.0,,,0.0,0.0,,,,,,,
CS(=O)(=O)NN1C(=O)c2ccccc2NC12CCCC2,CID1518458,,,,,,,,,,,,,,0.0,,,
CC(C)N1CC(=O)C(c2nc(=O)c3ccccc3[nH]2)=C1N,CID2387137,,,,,,,,,,,0.0,,,,,,
COCCN1CC(=O)C(c2nc(=O)c3ccccc3[nH]2)=C1N,CID1555212,,,,0.0,,,,0.0,,,,,,,,,
O=C(c1ccc(Br)o1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID1137490,0.0,,,,,,,,0.0,,,0.0,,,,0.0,
Cc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)o1,CID897932,,,,,,,,,0.0,,,,,,,,
CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CN1CCSCC1,CID658491,,,0.0,,0.0,,0.0,,,,,0.0,,,,,
CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)C(C)N1CCSCC1,CID659883,,,,,0.0,,,0.0,,,,,0.0,,,,
CC(=O)c1ncnn1CC(=O)c1ccc(Cl)cc1Cl,CID658497,0.0,,,,,,,,,,,,,,,,
CCCC(C(=O)c1ccccc1)n1cncn1,CID666101,,,0.0,0.0,,,0.0,0.0,,,,,,,0.0,,
O=C1Cn2c(nc3ccccc32)N1c1cccc(C(F)(F)F)c1,CID1250885,,,,,,,,,0.0,,,,,,,,
O=C1Cn2c(nc3ccccc32)N1c1ccccc1F,CID1251939,0.0,,,0.0,,,,,,,,,,,,,
O=S(=O)(Nc1cccnc1)c1cccs1,CID651720,,,0.0,,,,0.0,,,,,,,,0.0,,
COc1ccc(NS(=O)(=O)c2cccs2)cn1,CID2354226,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(-n2nc3c(-n4ncc(C#N)c4N)nnc(C)c3c2C)cc1,CID990447,,,,,,,,,,0.0,0.0,,,,,,
Cc1nnc(-n2ncc(C#N)c2N)c2nn(-c3cccc(Cl)c3)c(C)c12,CID990443,,,,,,,,,,,,,,0.0,,,
FC(F)(F)c1cc(-c2ccco2)nc(NCCc2ccccc2)n1,CID4306095,,,,,,,,,,,,0.0,,,,,
COc1ccc(CCNc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1OC,CID3242805,,,,,0.0,,,,,,,,,,,,
CC1(C)Cc2nc3sc4c(=O)n(CC(=O)NCc5ccco5)cnc4c3cc2CO1,CID663383,,,,,,,,,0.0,,0.0,,,,,,0.0
Cc1nc2c(sc3nc4c(cc32)COC(C)(C)C4)c(=O)n1CC(=O)NCc1ccco1,CID663733,,,0.0,,,,,,0.0,,,,,,,,
Cc1[nH]c2ccccc2c1CN1CCc2ccccc2C1,CID764949,,,,,,0.0,,,,,,,,,,,
Cn1cc(CN2CCc3ccccc3C2)c2ccccc21,CID3240351,,,,,,,,,,,,,,,,0.0,
NC(=O)c1c(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)sc2c1CCC2,CID2124800,,0.0,0.0,,,0.0,,,,,,,,,,,0.0
N#Cc1c(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)sc2c1CCC2,CID2549551,,,,,,,,,,,0.0,0.0,,,,,
C=CCNC(=S)N1CCN(c2ncc3c(=O)c(C(=O)O)cn(CC)c3n2)CC1,CID1619204,,,,,,,,,,,,0.0,,,,,
CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21,CID4831,,0.0,,0.0,,,,,,,,,,,,,
COc1ccc(OC)c(Nc2cc(C(=O)NCCCN3CCOCC3)c3ccccc3n2)c1,CID3243515,0.0,,,,,0.0,,,0.0,,,,0.0,,,0.0,0.0
COc1ccccc1Nc1cc(C(=O)NCCCN2CCOCC2)c2ccccc2n1,CID5308129,0.0,0.0,0.0,,,,,,,,,,0.0,,,,
O=c1[nH]c2c(s1)C(c1ccccc1)C1C3CCC(C3)C1S2,CID3243512,,,,,,,0.0,,,,,0.0,,,0.0,,
COc1ccc(C2c3sc(=O)[nH]c3SC3C4CCC(C4)C23)cc1OC,CID3708465,,,,,,,,,,0.0,,,,,,,
CCCCCn1c(SCC(=O)OCC)nc2cc(C(=O)NCc3ccco3)ccc2c1=O,CID3243518,,,,,0.0,,,0.0,,0.0,,0.0,,,,,0.0
C=CCn1c(SCC(=O)OCC)nc2cc(C(=O)NCc3ccco3)ccc2c1=O,CID4169834,,,,,,0.0,,,,,,,,,,,
CC1=C(C#N)CCC(=O)N1Cc1c(C)cc(C)cc1C,CID2763938,,,,,,0.0,,,,,,,,,,,
CC1=C(C#N)CCC(=O)N1Cc1ccc(C)cc1,CID2763790,,,,,,0.0,,,,,,,,,0.0,,
CCOC(=O)c1c(C)nc2c(c1-c1ccccc1)C(=O)CCC2,CID2763935,,,,,,0.0,,,,,,,,0.0,,,
CCOC(=O)c1c(C)nc2c(c1-c1ccc(OC)cc1)C(=O)CC(C)(C)C2,CID1068774,,,,,,0.0,,,,,,,,,,,
CCCn1nnnc1NC(=O)c1ccc(C)cc1Cl,CID954521,,,,,,,,,,,,,,,0.0,,
CCn1nnnc1NC(=O)c1cccc(OC)c1,CID925659,,,,,,,,,,,,,,,0.0,,
O=C(NC(=S)Nc1cccc(Cl)c1N1CCCC1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1,CID1243010,,,,,,,,,,,0.0,0.0,,,,,
O=C(NC(=S)Nc1ccccc1N1CCCC1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1,CID1423969,,,,,,,,,,,0.0,,,0.0,,,
Cc1nc2ccccc2c2c1C(=O)N(C)C2=O,CID706730,0.0,,,,,,,,,,,,,,,,
CCN1C(=O)c2c(C)nc3ccccc3c2C1=O,CID891673,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C1C(=O)C=C(N2CCOCC2)CC1c1cccc(OC)c1,CID3240819,,,,,,,0.0,0.0,,,,,0.0,,,,0.0
O=C1C=C(N2CCOCC2)CC(c2ccccc2)C1,CID2834824,,,,,,0.0,,,,,,,,,,,
O=C1CN(C(=O)COc2cccc(F)c2)c2ccccc2N1,CID2444951,,,,,,,,,,,,,,,0.0,,
O=C1CN(C(=O)COc2ccc(Br)cc2F)c2ccccc2N1,CID2649355,,,,,,,,,,,,,,,0.0,,
CC(=O)c1cccc(NC(=O)/C(=C\c2ccco2)NC(=O)c2cccs2)c1,CID5344329,,,,,,0.0,,,,,,,,,,,
Cc1cccc(NC(=O)/C(=C\c2ccco2)NC(=O)c2cccs2)c1,CID2191625,,,,,,0.0,,,,,,,,,,,
Cc1cccc2cc(CN(CC3CCCO3)C(c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c12,CID646349,,,0.0,,,,,,,,,0.0,,,,0.0,0.0
Cc1ccc2cc(CN(Cc3nnnn3Cc3ccco3)CC3CCCO3)c(=O)[nH]c2c1C,CID653414,,,,0.0,,,,,,0.0,0.0,,,,,,
C(=N/n1cnnc1)\c1ccc(-c2ccccc2)cc1,CID484483,,0.0,0.0,,,,,,,,,,,,,,
Cc1nnc(C)n1/N=C/c1ccc(-c2ccccc2)cc1,CID761591,,,,,,0.0,,,,0.0,0.0,,,,,,
O=C(Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O)N1CCCc2ccccc21,CID3244254,,0.0,0.0,,,,,,,,,,,,,,
Cc1ccc(Cn2nnc3c(=O)n(CC(=O)N4CCCc5ccccc54)cnc32)cc1,CID3239913,0.0,,,,,,,,,,,0.0,,,,,
COCCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)NC1c1cccc(OC)c1OC,CID2937278,,,0.0,,0.0,,,0.0,0.0,0.0,,0.0,,,0.0,,
COCCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)NC1c1ccc(OC)cc1,CID3276348,,,,,,0.0,,,,,,,,,,,
Cc1cccc(S(=O)(=O)NNC(=O)c2sc(C)nc2C)c1,CID2326674,,,,,,,,,,,,,,0.0,,,
Cc1nc(C)c(C(=O)NNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1,CID2326677,,,,,,,,,,,,,,,0.0,,
Cc1sc2ncnc(Sc3nnnn3-c3ccccc3)c2c1C,CID703850,,0.0,,,0.0,,,,,,,,,,,,
Cc1sc2ncnc(Sc3nnnn3-c3ccc(Cl)cc3)c2c1C,CID2099658,,,,,,,0.0,,,,,,,,,,
O=c1n(-c2ccc(Br)cc2)cnn1-c1ncccc1[N+](=O)[O-],CID1480906,,,,,,,,,,,,,,,0.0,,
Cc1nn(-c2ncc(C(F)(F)F)cc2Cl)c(=O)n1-c1ccccc1,CID3519223,,,,,,,,,,,,,,0.0,,,
CCN(CC)c1ccc(C(=O)OCC(=O)Nc2sccc2C#N)cc1,CID2453110,,,,,,,,,,,,,,,0.0,,
CN(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2sccc2C(N)=O)c1,CID2527188,,,,,0.0,,,,,0.0,,0.0,0.0,,,,
CCOc1ccc(NC(=O)CSc2n[nH]c(=O)n2-c2ccccc2)cc1,CID1300916,0.0,,,,0.0,,0.0,0.0,,,,,0.0,,,0.0,
CCOc1ccc(-n2c(SCC(=O)Nc3ccccc3C)n[nH]c2=O)cc1,CID2437246,,,,,,,,,,,0.0,,,,,,
Cn1cc(Cl)c(C(=O)N/N=C/c2ccc(OS(=O)(=O)c3ccccc3)cc2)n1,CID1769476,,,,,,,,,0.0,,,0.0,,0.0,,,
Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3nn(C)cc3Cl)cc2)cc1,CID1755955,,,,,,,,,,,0.0,0.0,,,,,
Cc1cc2cc(CN3C(=O)c4ccccc4C3=O)ccc2n1C,CID3240889,0.0,,,,0.0,,,,,,,,,,,,
Cc1cc2cc(CN3C(=O)c4ccccc4C3=O)ccc2[nH]1,CID325742,0.0,,,,0.0,,,,,,,,,0.0,,,
CC(=O)Nc1cc(C(=O)N2CCCC2)ccc1S(=O)(=O)c1ccc(Cl)cc1,CID3451186,,,,,,,,,,,,0.0,,,0.0,,
CC(=O)Nc1cc(C(=O)N2CCCC2)ccc1S(=O)(=O)c1ccc(C)cc1,CID3241708,,,,,,,,,,,,,,,,0.0,
C(=N/n1cnnc1)\c1ccccn1,CID660383,,,,,,,,,,0.0,,,,,,,
Cc1nnc(C)n1/N=C/c1ccccn1,CID696971,,,,,,,,0.0,,,,0.0,,,,,
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3nccs3)cc2)cc1,CID1957232,,,,,,0.0,,,,,,,,,,,
CN(c1ccc(C(=O)Nc2nccs2)cc1)S(=O)(=O)c1ccccc1,CID1309992,0.0,,,,0.0,,,,,0.0,0.0,,0.0,,0.0,,
Cc1cc2ccccc2nc1SCC(=O)NC1CCCCC1,CID860326,,,,,,,,,,,,,,,0.0,,
COc1ccc2nc(SCC(=O)N(C)C3CCCCC3)c(C#N)cc2c1,CID655434,0.0,,,,,,0.0,,,,,,0.0,,,0.0,0.0
c1ccc(Oc2nc(Oc3ccccc3)nc(N3CCOCC3)n2)cc1,CID1240525,0.0,,,0.0,,,0.0,,,,,,,,0.0,,
Clc1ccc(Oc2nc(Oc3ccc(Cl)cc3)nc(N3CCOCC3)n2)cc1,CID3237426,0.0,,,,,,,,,,,,,,,,
Cn1nnnc1SCC(=O)N1c2ccccc2Sc2ccccc21,CID1847573,0.0,,,,,,0.0,,,0.0,,,,,,,
Cn1nnnc1SCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21,CID1205193,,,,,,,,,0.0,,,,,,,,
Fc1ccccc1CSc1nnnn1-c1ccc2c(c1)OCO2,CID573210,,,,0.0,0.0,,0.0,,,0.0,,,0.0,,,,
Fc1cccc(Cl)c1CSc1nnnn1-c1ccc2c(c1)OCO2,CID2911737,0.0,0.0,0.0,0.0,0.0,0.0,,,,,0.0,,,,,,0.0
Cc1cc(C)n(C(=O)CCCn2nc(C)c([N+](=O)[O-])c2C)n1,CID1509697,,,,,,,,,,,,,,0.0,,,
Cc1nn(C(=O)CCCn2cc([N+](=O)[O-])cn2)c(C)c1Cl,CID4916306,,,,,,,,,,,,,,0.0,,,
CCc1nnc(NC(=O)CSc2nnc(C)n2Cc2ccccc2)s1,CID1151569,,,,,,,,,,,,0.0,,0.0,,,
Cc1nnc(NC(=O)CSc2nnc(C)n2Cc2ccccc2)s1,CID1451210,,,,,,,,,,0.0,,0.0,,,,,
NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1,CID1789702,,,,,,0.0,,,,,,,,,,,
CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1,CID1226797,,,,,,,,,,,,0.0,,,,,
CCn1cc(C(=O)OCC(=O)c2ccccc2)c(=O)c2ccc(C)nc21,CID1324867,,,,,,,,,,,,,,,0.0,,
CCn1cc(C(=O)OCC(=O)c2ccc(Cl)cc2)c(=O)c2ccc(C)nc21,CID3982734,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCc2cccnc2)cc1,CID5153448,,0.0,0.0,,,,0.0,,,,,,,,,0.0,
COc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCc2cccnc2)c1,CID4068478,,,,,,,,0.0,,,,,,,,0.0,
Cc1ccc(-c2csc(Cc3nc(-c4cc5ccccc5oc4=O)cs3)n2)cc1,CID2906514,,,,,,0.0,,,,,,,,0.0,,,
O=c1oc2ccccc2cc1-c1csc(Cc2nc(-c3ccc(Br)cc3)cs2)n1,CID2142158,,,,,,,,,,,,,,0.0,,,
O=C(c1ccccc1)c1ccc2nc(-c3ccc(NC(=O)c4ccccc4F)cc3)[nH]c2c1,CID2204529,,,,,,,,,,,,0.0,,,,,
Cc1ccccc1C(=O)Nc1ccc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cc1,CID1026230,,,,,,0.0,,,,,,0.0,,,,,
COC(=O)CSc1nnc(-c2ccc(S(=O)(=O)NCc3ccccc3Cl)cc2)o1,CID1155311,,,,,,,,,0.0,,,,,,,,
CCN(CC)C(=O)CSc1nnc(-c2ccc(S(=O)(=O)NCc3ccccc3Cl)cc2)o1,CID645770,,,,,,,,,0.0,,,,,,,,0.0
CC1CCCCC1NC(=O)C1CCN(C(=O)NC2CCCCC2)CC1,CID648055,,,0.0,0.0,,,,,,,,,,,,,
CC1CCC(NC(=O)C2CCN(C(=O)NC3CCCCC3)CC2)CC1,CID646041,0.0,,,,,,,0.0,,,,0.0,0.0,,,,
CN(C)c1nc(N(C)C)n(S(=O)(=O)c2ccc(Cl)cc2)n1,CID3307856,,,,,,,,,,,,,,0.0,,,
COc1ccc(S(=O)(=O)n2nc(N(C)C)nc2N(C)C)cc1,CID3637201,,,,,,,,,,,,,,0.0,,,
O=C(Nc1nnc(-c2ccncc2)s1)C1CCCO1,CID2971432,,0.0,,0.0,,,,0.0,,,,,0.0,,,0.0,
CN(C(=O)C1CCCO1)c1nnc(-c2ccncc2)s1,CID648205,,0.0,,,,,,,,,,,0.0,,,,
Clc1c(-c2nnc3n2CCCCC3)sc2ccccc12,CID2414986,,,0.0,,0.0,0.0,0.0,,,,,,,,0.0,,0.0
COc1ccc2c(Cl)c(-c3nnc4n3CCCCC4)sc2c1,CID2414965,0.0,0.0,,0.0,0.0,0.0,,,,0.0,,,,,0.0,,
O=C(COC(=O)c1ccc(Cl)s1)c1cc2ccccc2o1,CID2529566,,,,,,,,,,,,,,0.0,,,
Cc1ccsc1C(=O)OCC(=O)c1cc2ccccc2o1,CID2336432,,,,,,0.0,0.0,,0.0,0.0,,,,,0.0,,
Cc1cc(C)n2nc(Cc3ccccc3)nc2n1,CID934599,,,,,,,0.0,,,,,0.0,0.0,,0.0,,
Cc1nc2nc(Cc3ccccc3)nn2c(C)c1Cl,CID935590,,,,,,,,,,,,,0.0,,,0.0,
CC(C)(C)n1nnnc1C(c1cccs1)N(Cc1cccnc1)Cc1ccccc1Cl,CID3193699,,,,,,,,,,,0.0,,,,,,
CC(C)(C)n1nnnc1C(c1cccs1)N(Cc1ccccc1)Cc1cccnc1,CID644605,0.0,0.0,,,0.0,,,,,,,,,0.0,,,
Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)OCC(=O)N3CCC(C)CC3)cc12,CID2999594,0.0,,,0.0,0.0,,,,,,,,0.0,,,,
Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(=O)N3CCCCC3)cc12,CID2346824,0.0,0.0,,,0.0,,,,,,,,,,,,0.0
CCC(C)N(C(=O)COC(=O)c1[nH]c(C)c(C(C)=O)c1C)C1CCS(=O)(=O)C1,CID2999592,,,,,0.0,,,,0.0,,,,,,,,0.0
CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N(C)C2CCS(=O)(=O)C2)c1C,CID3503927,,,,,,,,,,,0.0,,,,,,
N#C/C(=C\c1cn[nH]c1-c1ccccc1)C(=O)NC1CCCCCC1,CID844509,,,,,,,,,,,,0.0,,,,,
COc1ccc(-c2[nH]ncc2/C=C(/C#N)C(=O)NC2CCCCCC2)cc1,CID1004689,,,,,,,,,,,,0.0,,,,,
COc1ccc(-n2cnc3cc(NCc4ccccn4)ccc32)cc1,CID2031833,,,,,,0.0,,,,,0.0,,,0.0,,,
COc1ccccc1-n1cnc2cc(NCc3ccccn3)ccc21,CID1945991,,,,,,0.0,,,,,,0.0,,,,,
Nc1c(C(=O)NC2CCCCC2)nsc1C(=O)OCC(=O)NC1CCCCC1,CID651494,,,,,0.0,,,,,,,,,,,,
CC(OC(=O)c1snc(C(=O)NC2CCCCC2)c1N)C(=O)NC1CCCCC1,CID3219071,,,,,,,,,,,,0.0,,,,,
O=C(Cc1ccc(Cl)cc1)Nc1ccc2oc(-c3ccncc3)nc2c1,CID1069526,,,0.0,,,,0.0,,,,,,0.0,,,0.0,0.0
O=C(Cc1ccccc1)Nc1ccc2oc(-c3ccncc3)nc2c1,CID649646,0.0,0.0,0.0,,,,0.0,,,,,,0.0,,,,
COc1cc(C(=O)Nc2sc3c(c2C#N)CCN(C(C)=O)C3)cc(OC)c1OC,CID4338730,,,,,,,,,,,0.0,,,,,,
CC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)c2C#N)C1,CID4184537,0.0,0.0,,,0.0,,,,,,,,,,,0.0,
CC1CCCCC1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1,CID645768,,,,,0.0,,0.0,,,,,,,,,,
CN(C1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1,CID649136,,,,,0.0,,0.0,,,,,,,,,,
O=C(/C=C/c1cccc(Oc2ccccc2)c1)N1CCOCC1,CID680195,,,,,,,,,,,,,,0.0,,,
N#C/C(=C\c1cccc(Oc2ccccc2)c1)C(=O)N1CCOCC1,CID829590,,,,,,,,,,,,,,0.0,,,
Cc1ccc(CN(Cc2cccnc2)C(=O)CN2C(=O)COc3ccccc32)o1,CID645760,,,0.0,,,0.0,,,0.0,0.0,0.0,0.0,0.0,,,,
CCC1Oc2ccc(C)cc2N(CC(=O)N(Cc2cccnc2)Cc2ccc(C)o2)C1=O,CID645989,0.0,,,,,,,0.0,0.0,0.0,,0.0,0.0,,,,
O=C(CSc1nc(-c2ccccc2)cs1)N1CCc2ccccc21,CID1263943,,,,,,0.0,,,,,,,,,,,
O=C(CSc1nc(-c2ccc(F)cc2)cs1)N1CCc2ccccc21,CID1300773,,,,,,0.0,,,,,,0.0,,,,,
C=CCOn1c(=O)c(-c2cc3ccccc3o2)[n+]([O-])c2ccccc21,CID660034,0.0,,,,,0.0,,,,,,,,,,,
CCOn1c(=O)c(-c2cc3ccccc3o2)[n+]([O-])c2ccccc21,CID951071,0.0,,,0.0,,,,,,0.0,,0.0,0.0,,,,
CC(C)CCNC(=O)CN(CC1CCCO1)C(=O)CCC(=O)Nc1nccs1,CID650766,0.0,0.0,,,,,,,0.0,,,,,,,,
CCC(C)(C)NC(=O)CN(CC1CCCO1)C(=O)CCC(=O)Nc1nccs1,CID651125,,0.0,0.0,0.0,,,,,0.0,,,,,,,,
COC1=C/C(=C(\S)N2CCCC2)C=C(Cl)C1=O,CID5739695,,,,0.0,,,,,,,,,,,,,
COC1=C/C(=C(\S)N2CCCC2)C=CC1=O,CID5389226,,,,0.0,,,,,,,,,,,,,0.0
COc1ccc(NC(=O)Nc2cccc3cccnc23)cc1,CID826843,,0.0,,0.0,,,,0.0,,,,0.0,0.0,,,,
O=C(Nc1ccccc1)Nc1cccc2cccnc12,CID650699,,,,0.0,,,,0.0,,,0.0,,,,,0.0,
CCOc1cc2c(C#N)c(N3CCCCC3)nc(N)c2c(N)n1,CID728284,,,,,,,,,,0.0,,,,,,,
COc1cc2c(C#N)c(N3CCCCC3)nc(N)c2c(N)n1,CID728282,,,0.0,0.0,,,0.0,,,,,,,,,0.0,
CCOc1cc2c(C#N)c(N3CCOCC3)nc(N)c2c(N)n1,CID728280,,0.0,,,,,0.0,,,0.0,,,,,,,
COc1cc2c(C#N)c(N3CCOCC3)nc(N)c2c(N)n1,CID3000089,,0.0,,,,,,,,,,,,,,,
O=C(NCc1ccccn1)c1cn(Cc2ccccc2)nn1,CID653230,,0.0,0.0,0.0,,,,,,,,0.0,,,,,0.0
CC(c1ccccc1)n1cc(C(=O)NCc2ccccn2)nn1,CID648666,,0.0,,,,,,,,,,,,,0.0,,
Cc1cc(N2C3CCC2CC(O)(c2ccc(F)cc2)C3)nc(-c2ccccc2)n1,CID653235,,,,,,,,,,,,0.0,0.0,,,,
COc1ccc(C2(O)CC3CCC(C2)N3c2cc(C)nc(-c3ccccc3)n2)cc1,CID655062,0.0,,0.0,,0.0,0.0,0.0,,,,,,,,,,0.0
Cc1cc(=O)cc(C)n1-c1ccc2c(c1)nc(C)n2-c1ccccc1,CID2998054,,,,,,,0.0,,,,0.0,,0.0,,,,
Cc1nc2cc(-n3ccc(=O)cc3)ccc2n1-c1ccccc1,CID2999009,,0.0,,,,,,,0.0,,,,0.0,0.0,,,
O=C(CSc1nc2ccccc2o1)Nc1nc2c(s1)CCCC2,CID2999907,0.0,,,0.0,0.0,,,,0.0,0.0,0.0,,0.0,,,,
CC1CCc2nc(NC(=O)CSc3nc4ccccc4o3)sc2C1,CID2945168,,0.0,0.0,0.0,0.0,,0.0,,,,0.0,,,,,,
CCOc1ccc(C(=O)NCC(=O)OC(C)C(=O)NCc2ccco2)cc1OCC,CID2999900,,,,,,,,,,,,0.0,0.0,,,,
Cc1cc(C)cc(C(=O)NCC(=O)OCC(=O)NCc2ccco2)c1,CID5207470,,,,,,,,,,,,,,0.0,,,
O=C(NNc1nc2ccccc2s1)c1ccc(F)cc1,CID919597,,,,,,,,,,,,,,0.0,,,
O=C(NNc1nc2c(F)cccc2s1)c1ccccc1,CID7105561,,,,,,,,,,,,,,,0.0,,
O=C(Cn1ncc2c(=O)oc3ccccc3c21)N1CCN(c2ccccn2)CC1,CID3243491,0.0,,,,,0.0,,0.0,,,,,,,,,
Cc1ccc2oc(=O)c3cnn(CC(=O)N4CCN(c5ccccn5)CC4)c3c2c1,CID5308368,0.0,0.0,,0.0,,,,,0.0,,,,,,,,0.0
Cc1ccccc1Cc1c(C)nc2nc(SCC(=O)N3CCC4(CC3)OCCO4)nn2c1C,CID9550226,,,,,,,,,,,,,,0.0,,,
Cc1nc2nc(SCC(=O)N3CCC4(CC3)OCCO4)nn2c(C)c1Cc1ccccc1,CID9551432,,,,,,,,,,,0.0,,,,,,
COc1ccc(-c2nsc(SCC(=O)Nc3cc(C)on3)n2)cc1,CID3236521,0.0,0.0,0.0,,1.0,,0.0,,0.0,0.0,,,,,,,0.0
Cc1cccc(-c2nsc(SCC(=O)Nc3cc(C)on3)n2)c1,CID3240622,0.0,0.0,0.0,,,,,,0.0,,0.0,,,,,,
O=C(COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12)NCc1ccco1,CID2570075,,,,,,,,,,0.0,,,,0.0,,,
O=C(COC(=O)c1cc(-c2cccs2)nc2ccccc12)NCc1ccco1,CID2357360,0.0,,,,0.0,0.0,,0.0,,0.0,,,0.0,0.0,,,
Clc1ccc(/C=N/C23CN4CN(CN(C4)C2)C3)cc1,CID788704,,0.0,0.0,,,,,,,,,,0.0,,,0.0,
CCOc1ccc(/C=N/C23CN4CN(CN(C4)C2)C3)cc1,CID662286,,0.0,,,,0.0,0.0,,,,,,,,,,
Cc1cc(=O)oc(C)c1C(=O)NCc1ccco1,CID757680,,,,,,,,,,0.0,,,,,,,
O=C(NCc1ccco1)c1ccc(=O)oc1,CID660186,,,,0.0,,0.0,,,,0.0,,,,,,,
COc1ccc(-c2nc(CSCC(=O)N3CCN(c4cccc(C)c4)C(C)C3)c(C)o2)cc1OC,CID5307376,,,0.0,,,,,,,,,,0.0,,,,
CCOc1ccc(-c2nc(CSCC(=O)N3CCN(c4cccc(OC)c4)CC3)c(C)o2)cc1,CID5308111,,,,,,,,,,,,,,,,0.0,0.0
Cc1ccc2oc(=O)c3cnn(CC(=O)N(CCN(C)C)Cc4ccco4)c3c2c1,CID9550480,,,,,,,,,,0.0,,,,,,,
CCCCN(Cc1ccco1)C(=O)Cn1ncc2c(=O)oc3ccc(C)cc3c21,CID11957171,,,,,,0.0,,,,,,,,0.0,,,
O=c1c2ccccc2n2cnnc2n1-c1ccccc1,CID2363388,,0.0,,,,0.0,,0.0,,,,0.0,,,,,0.0
Cc1ccccc1-n1c(=O)c2ccccc2n2cnnc12,CID2354700,,,,,,,,,,,,0.0,,0.0,,,
Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3ccccc3C2)c2cccc(Cl)c2)cc1,CID1000713,,,,,,,,,,,,,,,0.0,,
O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N1CCc2ccccc2C1,CID1335943,,,,,,,,,,,,,,,0.0,,
O=C(O)c1ccc(N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1,CID1230240,,,,,,,,,,,,,,0.0,,,
CN(C)c1ccc(/C=C/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1,CID5752007,,,,,,1.0,,,,,,,,,,,
O=c1c2cc3ccccc3n2cnn1Cc1ccccc1F,CID3237656,,0.0,,,,,,,,,,,,,0.0,,
Cc1ccc(Cn2ncn3c(cc4ccccc43)c2=O)cc1,CID3242649,0.0,0.0,,,,0.0,,,,,,,0.0,,,,
CCC(Sc1nc2nnc(C)c-2c(N)n1-c1ccc(C)c(Cl)c1)C(=O)N1CCOCC1,CID3241898,0.0,,0.0,,0.0,,,,,,,,,,,,
CCC(Sc1nc2nnc(C)c-2c(N)n1-c1cc(Cl)ccc1C)C(=O)N1CCOCC1,CID3239478,0.0,,,,0.0,,,,,,0.0,,,,,,0.0
O=C(CCn1cccc1)NCc1ccccc1,CID3245406,,,,,,0.0,,,,,,,,,,,
O=C(CCn1cccc1)NCc1ccc(Cl)cc1,CID3244797,0.0,0.0,,,,,,,,,,,,,,0.0,0.0
CCN1CCCC1CNC(=O)c1cn(CC)c2ccc(S(=O)(=O)N3CCCCCC3)cc2c1=O,CID3245405,,,,0.0,0.0,,,0.0,,,0.0,,,,,,
CCN1CCCC1CNC(=O)c1cn(C)c2ccc(S(=O)(=O)N3CCCCCC3)cc2c1=O,CID3242927,,,0.0,,0.0,0.0,,,,,,,,,,,0.0
COc1cc(C(=O)OCCN2CCOCC2)ccc1O,CID661966,,,,,0.0,,,,,,,,,,,,
COc1cc(C(=O)OCCN2CCOCC2)cc(OC)c1OC,CID825662,,,,,0.0,,,,,,,,0.0,,,,
COc1ccc(CCn2c(-c3ccco3)nc3nc4ccccc4nc32)cc1OC,CID661960,0.0,,,,0.0,0.0,,,,,,,,,,,
COc1ccc(CCn2c(-c3ccco3)nc3nc4ccccc4nc32)cc1,CID662029,,0.0,0.0,,,,,0.0,,,0.0,,0.0,,,,
Cc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CNC(=O)c1ccco1,CID661961,,,,,0.0,,,,0.0,0.0,0.0,0.0,0.0,,,,
COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CNC(=O)c1ccco1,CID2019250,0.0,,,,0.0,,,,,,,0.0,,,,,
O=C(OCc1ccc(Br)cc1)c1ccncc1,CID1094796,,,,,,,,,,,,,,,0.0,,
O=C(OCc1cccc([N+](=O)[O-])c1)c1ccncc1,CID891358,,,,,,,,,,,,,,,0.0,,
O=C1C=C(NCc2ccccc2)C2(CCCCC2)O1,CID684171,,,,,,,0.0,,,,,,,,,0.0,0.0
O=C1C=C(NCc2ccc(Cl)cc2Cl)C2(CCCCC2)O1,CID3403589,,,,,,,,,,0.0,,,,,,,
CCCn1c(C)cc(C(=O)CSc2nnc3n(CCC)c(=O)c4ccccc4n23)c1C,CID2493310,0.0,0.0,,,,,,,,,,,,,,,
CCCn1c(=O)c2ccccc2n2c(SCC(=O)c3cc(C)n(CCOC)c3C)nnc12,CID2493080,,,,,,,,0.0,,,,,,,,,
CCS(=O)(=O)N1CCC(c2nc(-c3ccc(C)cc3)no2)CC1,CID651029,0.0,0.0,,,0.0,,,,,,,,,0.0,,0.0,
CCS(=O)(=O)N1CCC(c2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1,CID655037,0.0,,,,0.0,,,,,,,,0.0,,,,0.0
COc1ccc(N(CC(=O)Nc2ccc(C)cn2)S(=O)(=O)c2c(C)noc2C)cc1,CID3244351,,,,,,,,0.0,,,,,,,,,0.0
Cc1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2c(C)noc2C)nc1,CID5307335,,,,,,0.0,,,,,,,,,,,
CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)NCCC3=CCCCC3)ccc21,CID3244355,,,,,,,,,,,,0.0,,,,,
CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)NCCC3=CCCCC3)cc2CC1C,CID3243723,,,,,,,,,0.0,,0.0,,,,,,
N#Cc1ccc(NC(=O)c2cc3cc4c5c(c3oc2=N)CCCN5CCC4)cc1,CID2135742,,,0.0,,,,,,,,,,0.0,,,,0.0
N=c1oc2c3c4c(cc2cc1C(=O)Nc1ccccc1)CCCN4CCC3,CID2135723,,,,,0.0,0.0,0.0,,,,,,,,,,
COCC/N=C1\Sc2nc3c(C)cccc3cc2CN1Cc1ccco1,CID3213217,,,,,,,,,,,,0.0,,,,,
COCC/N=C1\Sc2nc3ccc(C)cc3cc2CN1Cc1ccco1,CID3213234,,,,,,,,,,,,0.0,,,,,
Cc1cc(C)n(-c2ccc(C(=O)Nc3nc4ccccc4s3)cc2)n1,CID2354013,0.0,0.0,,0.0,0.0,,,,,,,,,,,0.0,
COc1ccc2nc(NC(=O)c3ccc(-n4nc(C)cc4C)cc3)sc2c1,CID2354012,0.0,,0.0,,0.0,0.0,0.0,,,,,,,,,,0.0
CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCCCCC3)c21,CID3240929,0.0,,,,,,,,,,0.0,,,,0.0,,0.0
CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCCCCC3)c21,CID3236004,,,,,,,,,0.0,,,,,,,0.0,0.0
O=C(CSc1nnc(CNC(=O)c2cccs2)o1)c1ccccc1,CID3240923,,0.0,,,0.0,,,,,,0.0,,,,,,0.0
O=C(CSc1nnc(CNC(=O)c2cccs2)o1)c1ccc(Cl)cc1,CID3242803,,,,,,,,,0.0,,,,,,,,
Cc1ccccc1NC(=O)NCCCN1CCN(C2CCCCC2)CC1,CID3240922,,,,,,,,,0.0,,,,0.0,,,0.0,0.0
O=C(NCCCN1CCN(C2CCCCC2)CC1)Nc1ccccc1C(F)(F)F,CID3238359,0.0,,,,,,,,,,,,,0.0,,,
CC(=O)Nc1ccc(NC(=O)COc2ccc(S(=O)(=O)NC(C)c3ccccc3)cc2)cc1,CID2942698,,,,,,,,,,,,,,,0.0,,
Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1,CID2227829,,,,,,,,,,,,,,,0.0,,
Cc1ccc(CS(=O)(=O)c2nsc(C)c2C#N)cc1,CID1482477,,,,,,,,,,,,,,0.0,,,
Cc1snc(S(=O)(=O)Cc2c(Cl)cccc2Cl)c1C#N,CID1485867,,,,,,,,,,,,0.0,,,,,
CC1(C)C(=O)OC(c2cc(Br)ccc2O)C(C)(C)C1=O,CID614732,0.0,,,,,,,,,,0.0,,,,,,
CN(C)c1ccc(C2OC(=O)C(C)(C)C(=O)C2(C)C)cc1,CID2909257,,,,,,,,,0.0,,0.0,,,,0.0,,
COc1ccccc1CNC(=O)CCn1c(=O)sc2ccccc21,CID767757,0.0,,0.0,,0.0,,,,,,0.0,,,0.0,,,
O=C(CCn1c(=O)sc2ccccc21)NCc1ccccc1,CID767741,0.0,,,0.0,0.0,,0.0,0.0,,,,0.0,,,,,0.0
Cc1[nH]nc(NC=C2C(=O)CC(C)(C)CC2=O)c1-c1ccccc1,CID666690,0.0,,0.0,,,,,0.0,,,0.0,,0.0,,,,
Cc1[nH]nc(NC=C2C(=O)CC(C)(C)CC2=O)c1-c1ccc(Cl)cc1,CID667314,0.0,,0.0,0.0,,,0.0,,,,,,,,0.0,,0.0
Cc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=O)c3ccncc3)cc2c1,CID666694,0.0,,,,,0.0,,,,,,0.0,,,,,
Cc1cccc2cc(CN(Cc3cccnc3)C(=O)c3ccncc3)c(=O)[nH]c12,CID666806,0.0,,,,,,0.0,,,,0.0,,0.0,,,,
COc1ccccc1-c1nnc2sc(-c3cc4ccccc4o3)nn12,CID666696,0.0,,,,0.0,,,0.0,,,,,,0.0,,,
c1ccc(-c2nnc3sc(-c4cc5ccccc5o4)nn23)cc1,CID848741,,,,,0.0,,0.0,,,0.0,,0.0,,,,,
Cc1ccc2nc3c(cc(C#N)c(=O)n3CCN3CCOCC3)c(=O)n2c1,CID666699,,0.0,0.0,0.0,,,,,,,,,,,,,
N#Cc1cc2c(=O)n3ccccc3nc2n(CCN2CCOCC2)c1=O,CID665976,,,,,,,0.0,,,,,,,,,,
COc1cc(CCC(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc(OC)c1OC,CID2377356,0.0,,,,,,,,,,,,0.0,,,,
COc1cc(CCC(=O)OCC(=O)Nc2nc(C)c(Cl)cc2Cl)cc(OC)c1OC,CID2097755,,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2nnn(Cc3nn[nH]n3)n2)cc1OC,CID654459,,,,,0.0,,,,,,,,,,,,
CCc1ccc(-c2nnn(Cc3nn[nH]n3)n2)cc1,CID653811,,0.0,,0.0,0.0,,,,,,,,0.0,,,,
CC1CCc2c(sc3nc(C4CC4)nc(SCC(=O)NCc4ccco4)c23)C1,CID654453,0.0,,0.0,,0.0,,0.0,,0.0,,0.0,,,,,,
O=C(CSc1nc(C2CC2)nc2sc3c(c12)CCCC3)NCc1ccco1,CID645407,0.0,0.0,,0.0,0.0,,,,0.0,0.0,0.0,,0.0,0.0,,,
Cc1ccc(-c2c(C)n([O-])c3c([n+]2=O)CCC3)o1,CID657752,,,,0.0,,,,0.0,,,,0.0,0.0,,,,
Cc1c(-c2ccco2)[n+](=O)c2c(n1[O-])CCC2,CID655781,,,,,,,,,,,0.0,0.0,0.0,,,,
O=C1/C(=C/c2cccs2)Sc2ccccc21,CID1823283,,,,,,,,,,,,,,,0.0,,
Cc1ccc(/C=C2\Sc3ccccc3C2=O)s1,CID777053,,,,,,0.0,,,,,,,,,,,
CCCCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2c1=O,CID4575822,,,,,,,,,,,,,,,0.0,,
COCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2c1=O,CID3242200,,,,,,,,,,,,,,,0.0,,
CCOc1nc(N(C)C)nc(-n2nnc(C(C)=O)c2C)n1,CID687954,0.0,0.0,,0.0,,,0.0,,,,,,,,,,
CCCCN(CCCC)c1nc(OC)nc(-n2nnc(C(C)=O)c2C)n1,CID4393516,,,,,,,,,,,,0.0,,,,,
Cc1cc(Oc2cnn(C(C)(C)C)c(=O)c2Cl)cc(C(C)C)c1,CID850255,,,,,,,,,,0.0,,,,,,,
Cc1cccc(Oc2cnn(C(C)(C)C)c(=O)c2Cl)c1,CID838927,,,,,,,,,,,0.0,,,0.0,,,
CC(NC(=O)NC12CC3CC(CC(C3)C1)C2)C1CCCO1,CID2955503,,,,,,,,,,,,,,,0.0,,0.0
O=C(NCC1CCCO1)NC12CC3CC(CC(C3)C1)C2,CID2864034,0.0,,0.0,0.0,,,,,,,0.0,,,,,,0.0
Fc1ccc(N2CCN(C(=S)NCC3CCCO3)CC2)cc1,CID2956052,,,,,,,,,,,,,,0.0,,,
S=C(NCC1CCCO1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1,CID2956116,,,,,,,,,,,,,,,0.0,,
COc1nnc(-c2ccc(N3CCOCC3)c(NC(=O)c3ccccc3)c2)c2ccccc12,CID3154339,,,,,,0.0,,,,0.0,0.0,0.0,,,,,
COc1nnc(-c2ccc(N3CCOCC3)c(NC(=O)c3ccc(C)cc3)c2)c2ccccc12,CID2945880,,,,,,0.0,,,,,,,,,,,
Cc1noc(C)c1C(=O)N1CCCc2ccccc21,CID2448120,,,,,,0.0,,,0.0,,,0.0,,,,,
Cc1ccc2c(c1)CCCN2C(=O)c1c(C)noc1C,CID1247148,0.0,,0.0,0.0,0.0,,,,,0.0,,,,0.0,,,
CCN(CCCNc1ncnc2nc[nH]c12)c1cccc(C)c1,CID2155075,,,,0.0,,,,0.0,,,,,,,,,
CCCCN(CCCNc1ncnc2nc[nH]c12)c1ccccc1,CID2155097,,0.0,0.0,0.0,,,,,,,,,0.0,,,,
Cc1ccc(C2=N/C(=C/c3cccs3)C(=O)N2Nc2ccccc2)cc1,CID1893498,,,,,,,,,,,0.0,,,,,,
Cc1ccc(C2=N/C(=C\c3cccs3)C(=O)N2Nc2ccccc2)cc1,CID1893499,,,,,,1.0,,,,,0.0,,,,,,
CCOC(=O)N1CCN(c2ncnc3nc[nH]c23)CC1,CID2155070,,1.0,,,,,,,,,,,,,0.0,,
OCCN1CCN(c2ncnc3nc[nH]c23)CC1,CID2155067,,0.0,0.0,,,,,,,,,,,,,,
CC(=O)Nc1ccc(-c2nnc(SCC(=O)c3ccc4c(c3)Cc3ccccc3-4)n2C)cc1,CID1299711,,,,,,0.0,,,,,,,,,,,
CCn1c(SCC(=O)c2ccc3c(c2)Cc2ccccc2-3)nnc1-c1ccc(N)cc1,CID1833849,,,,,,0.0,,,,,,,,,,,
Cc1ccc(CSc2nnc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)o2)cc1,CID648399,0.0,,,,,0.0,,,,0.0,0.0,,,0.0,,,
O=S(=O)(c1ccc(-c2nnc(SCc3ccccc3)o2)cc1)N1CCCC1,CID648113,0.0,,,,,0.0,,,,,0.0,,,,,,
CC(=O)Nc1cccc(Oc2cc(C#N)c(C#N)cc2N2CCCCCC2)c1,CID1288179,0.0,,0.0,,,,,,,,,0.0,,,,,0.0
CC(=O)Nc1ccc(Oc2cc(C#N)c(C#N)cc2N2CCCCCC2)cc1,CID1207936,0.0,0.0,,,,,0.0,,,,,,0.0,,,,0.0
Cc1c(N/C(=N\S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)c2ccccc2)c(=O)n(-c2ccccc2)n1C,CID6534693,,,,,,,,,,,,,,,0.0,,
Cc1c(N/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)c(=O)n(-c2ccccc2)n1C,CID5788410,,,,,,0.0,,,,,,,,,,,
CCn1c(SC(C)C)nnc1-c1cc(-c2ccccc2)sc1N,CID848948,,,,,,,,,,0.0,,,,,,,
C=CCn1c(SCC(C)=O)nnc1-c1cc(-c2ccccc2)sc1N,CID990389,,,,,,,,,0.0,0.0,,,,,,,
CCC(C)N(C(=O)COC(=O)Cc1n[nH]c(=O)c2ccccc12)C1CCS(=O)(=O)C1,CID2998522,,,0.0,,,,,0.0,0.0,,0.0,,,,,,
CC(C)CN(C(=O)COC(=O)Cc1n[nH]c(=O)c2ccccc12)C1CCS(=O)(=O)C1,CID2997970,,,,,,,,,0.0,,,,,,,0.0,0.0
COc1ccc(-n2c(SC3CCOC3=O)nc3ccccc32)cc1,CID2998526,0.0,,,,,,0.0,,,,0.0,,,,,,
O=C1OCCC1Sc1nc2ccccc2n1-c1ccccc1,CID2999913,0.0,,,,,0.0,0.0,,,,,0.0,,,,,
CC(C)C(NC(=O)OCc1ccccc1)C(=O)OCC(=O)N1C(C)CCCC1C,CID2998360,,,0.0,0.0,,0.0,0.0,,,,0.0,,,,,,
CC(C)C(NC(=O)OCc1ccccc1)C(=O)OCC(=O)N1CCCCC1,CID2999218,,0.0,,,,,0.0,,0.0,0.0,0.0,0.0,,,,,0.0
CC(/C=C1\SC(=S)N(NC(=O)c2ccc(C)cc2)C1=O)=C\c1ccccc1,CID2015090,,,,,,0.0,,,,,,,,0.0,,,
CC(/C=C1\SC(=S)N(NC(=O)c2cccc(O)c2)C1=O)=C\c1ccccc1,CID1557889,,,,,,,,,,,,,,,0.0,,
COc1cccc(N(C(=O)c2cccs2)c2nc3ccccc3s2)c1,CID2359029,,,,,0.0,,0.0,,,0.0,,,0.0,0.0,,,
Cc1ccccc1N(C(=O)c1cccs1)c1nc2ccccc2s1,CID2377401,,,,,,,,,,,,0.0,,,,,
COc1c2c(nc3occc13)C(CCC(C)(C)O)(OC)C(O)CC2,CID644731,,,,0.0,,,0.0,0.0,,,,,,,,,0.0
COc1c2c(nc3occc13)C(CC=C(C)C)(OC)C(O)CC2,CID2837665,,,,,,,,,,0.0,,,,,,,
Cc1cc(C)c(NC(=O)NC(=O)c2ccc(F)cc2)c(C)n1,CID718054,,,,0.0,,,,,,,,,0.0,,,,
Cc1cc(C)c(NC(=O)NC(=O)c2cccc(F)c2)c(C)n1,CID718560,,,,,,,,0.0,,,,0.0,0.0,,,,
Cc1cc(C)c(S(=O)(=O)N(C2=NCCS2)S(=O)(=O)c2c(C)cc(C)cc2C)c(C)c1,CID1203016,,,,,,,,,0.0,,,,,,,,
O=S(=O)(c1ccccc1)N(C1=NCCS1)S(=O)(=O)c1ccccc1,CID648293,,,,,0.0,,,,,,,0.0,,,,,
CC(=O)N1CCC(N(C(=O)Nc2ccc(C)c(C)c2)C2CCCC2)CC1,CID3241527,0.0,0.0,,,,,,,,,,0.0,,,0.0,,
COc1ccccc1NC(=O)N(C1CCCC1)C1CCN(C(C)=O)CC1,CID5307318,0.0,,0.0,,,,,0.0,,,,,,,,0.0,
O=C(NC(=S)N1CCCCC1)c1cccs1,CID833240,,,,,,,,,,,,,,0.0,,,
CC1CCN(C(=S)NC(=O)c2cccs2)CC1,CID829315,,,,,,,,,,,,,,0.0,0.0,,
CCOC(=O)C1=C(Nc2ccccc2)OCC1=O,CID698491,,,,,,,0.0,,,,,,0.0,,,0.0,
CCOC(=O)C1=C(Nc2cccc(Cl)c2)OCC1=O,CID767618,,,,0.0,,,,,,,,,0.0,0.0,,0.0,0.0
CC(=O)Nc1cc2c(cc1NC(=O)c1cnccn1)OCCO2,CID651350,,0.0,,,,,0.0,,0.0,,,,0.0,,0.0,,
O=C(Nc1ccc2c(c1)OCCO2)c1cnccn1,CID695351,,,,,,,,,0.0,0.0,,,,,0.0,,
O=S(=O)(/N=C(\Sc1ccccc1)c1ccccc1)c1ccc(Cl)cc1,CID2305334,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)/N=C(\Sc2ccccc2)c2ccccc2)cc1,CID1626927,,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1ccc2c(c1)nc(COc1ccc3ccccc3c1)n2CC,CID5049740,,,,,,0.0,,,,,,,,,,,
COCn1c(COc2ccc3ccccc3c2)nc2ccccc21,CID718810,,,,,,,,,0.0,,,0.0,,,,,
CCOC(=O)C1CCN(c2c(N(C)Cc3ccco3)c(=O)c2=O)CC1,CID5308679,,,,0.0,,,,,,,,,,,,,
CCOC(=O)C1CCCN(c2c(NCc3ccco3)c(=O)c2=O)C1,CID5308893,,,,,,,,0.0,,,,,0.0,0.0,,,
Cn1cc(C(=O)N/N=C/c2cccs2)c2ccccc21,CID949363,,,,,,,,,,,,,,,0.0,,
Cc1ccsc1/C=N/NC(=O)c1c[nH]c2ccccc12,CID739475,,,,,,0.0,,,,,,,,,,,
COCCOC(=O)/C=C1/NC(=O)CS1,CID5389336,,,0.0,,,,,,,,,,,,,0.0,
CCOC(=O)/C=C1\NC(=O)C(C)S1,CID6276294,,,,,,,,,,,,,,0.0,,,
CC1CN(c2nc3ccccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccccc2)CC(C)O1,CID5389331,,,0.0,,,,,,,,,,,,,,
N#C/C(=C\c1c(N2CCOCC2)nc2ccccn2c1=O)S(=O)(=O)c1ccccc1,CID1834793,,,,,,,,,,,,,,,,,0.0
CCOC(=O)N1CCN(C(=O)NC23CC4CC(CC(C4)C2)C3)CC1,CID4650766,,,,,,,,0.0,,,,,,,,,
CS(=O)(=O)N1CCN(C(=O)NC23CC4CC(CC(C4)C2)C3)CC1,CID2956907,,,,,,,,,0.0,,,,,,,,
CCSc1nnc(NC(=O)c2ccccn2)s1,CID2121806,0.0,0.0,,0.0,,,0.0,,,,0.0,,,0.0,,,
Cc1nnc(N(C)C(=O)c2ccccn2)s1,CID1447072,,,,,,,,,,,0.0,,,,,,
Cc1cc(C)nc(SCC(=O)Nn2cnnc2)n1,CID899467,,,,,0.0,,,,,,,,,,0.0,,
O=C(CSc1ncccn1)Nn1cnnc1,CID660581,0.0,,,,,,,,,,,,0.0,,,,
O=C1CNC(=S)N1c1nc(-c2ccccc2)cs1,CID899465,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(-c2csc(N3C(=O)CNC3=S)n2)cc1,CID898321,,,,,,,,,,,,,,0.0,,,
CSc1nnc(-c2cc3c(-c4ccccc4)nn(C)c3s2)n1C,CID1484449,,,,,,0.0,,,,,,,,,0.0,,
C=CCSc1nnc(-c2cc3c(-c4ccccc4)nn(C)c3s2)n1C,CID5162203,,,,,,0.0,,,,,,,,,,,
Oc1ccc(N2CCN(C(c3ccncc3)c3nnnn3C3CCCC3)CC2)cc1,CID654063,,,,,,,,,,0.0,0.0,0.0,,,,,
Fc1ccccc1N1CCN(C(c2ccncc2)c2nnnn2C2CCCC2)CC1,CID655546,,,,,,,,,,,0.0,,,,,,
COc1cccc(NC(=O)c2nn(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])c1,CID4301753,,,,,,0.0,,,,,,,,,,,
Cc1ccc(NC(=O)c2nn(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])cc1,CID2870878,,,,,,0.0,,,,,,0.0,,,0.0,,
Cc1cc(C(F)(F)F)nn1CC(=O)N1CCCC1,CID813457,,,,0.0,,,,,,,,,,,,,0.0
Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)N1CCCC1,CID749630,,,,,,,,,,,,,,,0.0,,
COC(=O)c1cc(-c2ccccc2)c2c(=O)n(C)c(=O)n(C)c2n1,CID1518526,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(-c2c(C#N)c(N)nc3c2c(=O)n(C)c(=O)n3C)cc1OC,CID1088622,,,0.0,,,,,0.0,,,,,,,,,
O=[N+]([O-])c1ccccc1Sc1nccn1Cc1ccccc1,CID2832944,,,,,,,,,,,,,,0.0,0.0,,
O=[N+]([O-])c1ccc(Sc2nccn2Cc2ccccc2)cc1,CID561240,,,,,,0.0,,,,,,,,,0.0,,
COc1cccc(-c2nc(CSCC(=O)NCC3CCCO3)c(C)o2)c1,CID3236486,0.0,,0.0,,,,,0.0,,0.0,0.0,,,,,0.0,
COc1ccc(-c2nc(CSCC(=O)NCC3CCCO3)c(C)o2)cc1OC,CID3239908,,,,,0.0,,,,,0.0,0.0,,,,,,0.0
COc1ccc(S(=O)(=O)N2CCCN(CC(=O)C(C)(C)C)CC2)cc1,CID3236483,,,,,,,,,,,,,0.0,0.0,,,
NC(=O)CN1CCCN(S(=O)(=O)c2ccc(Br)cc2)CC1,CID3238332,0.0,,,,,,,,0.0,,,,,,,,
COc1ccc(Nc2nc(N)nc(CN3CCOCC3)n2)cc1,CID651619,,,0.0,0.0,,,,,,0.0,,,,,,,
COc1ccccc1Nc1nc(N)nc(CN2CCOCC2)n1,CID941326,,,,0.0,,,0.0,,,,,,0.0,,,,
Cc1ccc(S(=O)(=O)N(CC(=O)NCCSC2CCCCC2)c2ccccc2F)cc1,CID2929553,,,,,,0.0,,,,,,,,,,,
Cc1ccccc1N(CC(=O)NCCSC1CCCCC1)S(=O)(=O)c1ccccc1,CID2929115,,,,,,,,,,,,0.0,,,0.0,,
COc1ccc(Nc2nc3ccccc3nc2C)cc1,CID869658,0.0,,0.0,,,,,,,,,,,,,,
COC(=O)c1cccc(Nc2nc3ccccc3nc2C)c1,CID913036,0.0,0.0,0.0,0.0,0.0,,,,0.0,,,0.0,,,,,
Cc1csc(NC(=O)CSc2nc(C(C)C)nc3c2c(=O)n(C)c(=O)n3C)n1,CID5310218,,,,,,,,,,,,,0.0,,,,
Cc1csc(NC(=O)CSc2nc(C)nc3c2c(=O)n(C)c(=O)n3C)n1,CID5310500,,,,,,,,,,,,,0.0,,,,
CC1CN(C2CCN(C(=O)COc3ccccc3)CC2)CC(C)O1,CID660912,,,,,,,,,,0.0,,,,,,,
Cc1cccc(OCC(=O)N2CCC(N3CCOCC3)CC2)c1,CID660906,,,,0.0,,,,0.0,0.0,,,,,,,,
COC(=O)C(NC(C)=O)(Nc1nc2c(s1)CCCC2)C(F)(F)F,CID660917,0.0,0.0,,,0.0,,,,0.0,,,,,,,,0.0
COC(=O)Nc1nc2c(s1)CCCC2,CID2970702,,,,,0.0,,,,,,,,,,,,
Cc1nn(C)cc1CNC(=O)c1ccc(Br)o1,CID660918,,,,,,,0.0,,0.0,,0.0,0.0,,,,,
Cc1c(CN(C)C(=O)c2ccc(Br)o2)cnn1C,CID844714,,,,,,,,,0.0,,,0.0,,,,,
C=CCSc1nnc2c(n1)OC(c1cccnc1)Nc1ccccc1-2,CID2895424,,0.0,,,0.0,,,0.0,,,0.0,,,,,,
C=CCSc1nnc2c(n1)OC(c1cccnc1)N(C(C)=O)c1ccccc1-2,CID3236651,,,,,0.0,,,,,,,,,,,,
COc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cc(OC)c(OC)cc3NC(=O)c3cccs3)c2C)cc1,CID2093985,,,,,,,,,,,,,,,0.0,,
COc1cc(NC(=O)c2cccs2)c(C(=O)OCC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cc1OC,CID2464795,,,,,,,,,,,,,,0.0,,,
Cc1ccc(/C=N/NC(=O)C(NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)cc1,CID3462007,,,,,,0.0,,,,,,,,,,,
O=C(NC(C(=O)N/N=C/c1ccccc1)c1n[nH]c(=O)c2ccccc12)c1ccccc1,CID3736129,,,,,,,,,0.0,,,,,,,,
O=C(Nc1ccccc1Br)c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1,CID1287877,,,,,,,,,,,,0.0,,,,,
COc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)cc1,CID1289003,,,,,,,,,,,,0.0,,,,,
COc1ccccc1/C=C/CN1CC(C)OC(C)C1,CID5721689,,,0.0,,,,,,,,,,,,,,
COc1ccccc1/C=C/CN1CCOCC1,CID782395,,,,0.0,,,,0.0,0.0,0.0,0.0,,,,,,
CCn1cc(C(=O)N2CCCCC2)c(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc21,CID3240064,,,,,0.0,,,,,,,0.0,,,,,0.0
CC1CCN(S(=O)(=O)c2ccc3c(c2)c(=O)c(C(=O)N2CCCCC2)cn3C)CC1,CID3244996,,,,,0.0,,,,,,,,,,,0.0,
COC(=O)Cc1csc(Nc2c(C)n(C)n(-c3ccccc3)c2=O)n1,CID1528686,0.0,,,0.0,0.0,,,,,0.0,0.0,0.0,0.0,,,0.0,
CCOC(=O)Cc1csc(Nc2c(C)n(C)n(-c3ccccc3)c2=O)n1,CID1528719,0.0,0.0,,,0.0,,,,0.0,,0.0,,,,,,0.0
C=CCN1/C(=N/c2ccccc2)SC/C1=C\C(=O)OC,CID1528681,,,,,0.0,,0.0,,,,,,0.0,,,,
CCN1/C(=N/c2ccc(Cl)cc2)SC/C1=C\C(=O)OC,CID1528683,0.0,0.0,,,0.0,0.0,,,,0.0,,,0.0,0.0,,,0.0
Cc1nn(C(=O)CCCC(=O)n2nc(C)c(Cl)c2C)c(C)c1Cl,CID991955,0.0,,,,,,,,,,,,,,,,
Cc1cc(C)n(C(=O)CCCC(=O)n2nc(C)cc2C)n1,CID1122116,,,,,,,,,,,,,0.0,,,,
Cc1ccc2cccc(OC(=O)c3oc4ccccc4c3C)c2n1,CID780075,,,,,,0.0,,,,,,,,,,,
Cc1c(C(=O)Oc2cccc3cccnc23)oc2ccccc12,CID2223235,,,,,,,,,,,,,,0.0,,,
CCOc1cc(CNc2ccccc2)cc(Br)c1OCc1ccccc1F,CID1750267,,,,,,,,,,,,,,,0.0,,
O=[N+]([O-])c1ccc(COc2ccc(CNc3ccccc3)cc2)cc1,CID975892,,,,,,,,,,,,,,0.0,,,
O=C(NC(O)C(=O)c1ccccc1)c1cccs1,CID3126650,,,0.0,0.0,0.0,0.0,,0.0,,,,,,,,,0.0
O=C(CNC(=O)c1cccs1)c1ccc([N+](=O)[O-])cc1,CID1210299,,,,,,,,,,,,,,0.0,,,
S=C(c1ccc[nH]1)N1CCOCC1,CID851000,,,,,,,,,,,,0.0,,,,,
Cn1cccc1C(=S)N1CCOCC1,CID951953,,,,,,,,,,,,,0.0,,,,
COc1cc2c(cc1NC(=O)COC(=O)CNS(=O)(=O)c1ccc(C)cc1)oc1ccccc12,CID2078942,,,,,,,,,,,,,,0.0,,,
COc1ccc(S(=O)(=O)NC(C)C(=O)OCC(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1,CID2439425,,,,,,,,,,,,,,,0.0,,
CCn1c(-c2nn(-c3ccc(C)cc3)ccc2=O)n[nH]c1=S,CID1481299,,,,,,,,,,,,,,,0.0,,
CCn1c(-c2nn(-c3ccccc3)ccc2=O)n[nH]c1=S,CID1481298,,,,,,,,,,,,,,,0.0,,
Cc1ccc(NC(=O)Cn2c(CCC(=O)O)ccc2-c2cccs2)cc1,CID2982400,,,,,,,,,,0.0,,,,,,,
COc1ccc(OC)c(NC(=O)Cn2c(CCC(=O)O)ccc2-c2cccs2)c1,CID1265062,,0.0,0.0,0.0,0.0,,,,,0.0,,,,,,0.0,0.0
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,CID4539,,,0.0,,,,,,,,,,,,,,
CCCNC(=O)c1cn(CC)c2cc(N3CCN(C)CC3)c(F)cc2c1=O,CID1893821,,,,,,,,,,,0.0,,,,,,
CC(C)(C)n1nnnc1C(c1ccncc1)N1CCN(c2ccc(O)cc2)CC1,CID3229223,,,,,,,,,,0.0,,,,,0.0,,
CCC(C)(C)n1nnnc1C(c1ccncc1)N1CCN(c2cccc(OC)c2)CC1,CID648134,,,,,,,0.0,,,0.0,,,,,,,
CCCNC(=S)N1CCC(c2nc3cc(C)c(C)cc3[nH]2)CC1,CID3223481,,,,,,,,,,,,,,0.0,,,
CCOC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1,CID3241539,,,0.0,0.0,,0.0,,0.0,0.0,,0.0,0.0,,,,,
CC(=O)c1ccc(NC(=O)c2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1,CID1331726,,,,,,,,,,,0.0,,,,,,
O=C(Nc1ccccc1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,CID2213073,,,,0.0,,,,,,,0.0,,,,,,0.0
c1ccc(Cc2nnc3sc(-c4ccco4)nn23)cc1,CID848717,0.0,0.0,,0.0,,,0.0,,,,,,0.0,0.0,,0.0,
Brc1ccc(-c2nn3c(Cc4ccccc4)nnc3s2)o1,CID661566,,,,,,,,,0.0,,0.0,,,,,,0.0
Cc1ccc(NC(=O)c2ccc(OC(=O)c3cc4ccccc4o3)cc2)cc1,CID1193352,,,,,,,,,0.0,,,,,0.0,,,
O=C(Nc1ccccc1)c1ccc(OC(=O)c2cc3ccccc3o2)cc1,CID1188270,,,,,,,,,0.0,,,,,,,,
Cc1ccc(N2C(=O)CC(n3ccnc3)C2=O)cc1C,CID3634492,,,,,,0.0,,,,,,,,,,,
Cc1cc(C)cc(N2C(=O)CC(n3ccnc3)C2=O)c1,CID2981069,,,,,,,0.0,,,,,,,,,,
Cc1ccc2c(c1)NC(=O)C(CC(=O)NCCCN1CCN(C3CCCCC3)CC1)O2,CID5309589,,,,,,,,,,0.0,,,,,,,
O=C(CC1Oc2ccccc2NC1=O)NCCCN1CCN(C2CCCCC2)CC1,CID5307785,0.0,,0.0,,,,,0.0,,,,,,,,0.0,
COc1ccc(S(=O)(=O)N2CCCC(C(=O)NC3CCCCC3)C2)cc1,CID645701,,,,,0.0,,,0.0,,,,,,,0.0,,
COC(=O)Nc1ccc(S(=O)(=O)N2CCCC(C(=O)NC3CCCCC3)C2)cc1,CID3296039,,,,,,,,,,,,,,0.0,,,
CCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)s1,CID5221793,,0.0,,0.0,,,,,,,0.0,0.0,,,,0.0,
CC(C)c1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)s1,CID4588141,,0.0,,,0.0,,,,,,,,0.0,,,0.0,
Cc1ccc(C(=O)COc2ccccc2N2C(=O)c3ccccc3C2=O)cc1,CID1323784,,,,,,,,,,,,,,0.0,,,
O=C(COc1ccccc1N1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1,CID1217718,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC(=O)n2ccc(-c3ccc(-n4ccnc4)cc3)n2)cc1,CID1487833,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccccc1)n1ccc(-c2ccc(-n3ccnc3)cc2)n1,CID1487830,,,,,,,,,,,,,,0.0,,,
O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Cl)s1,CID2147582,,,,,,,,,0.0,0.0,,,0.0,0.0,,,
O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccs1,CID1130082,,,,,0.0,,0.0,,0.0,0.0,0.0,,0.0,,,,
O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCCc2ccccc21,CID1107140,,,,,,,,,,0.0,0.0,,,,,,
O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1F)N1CCCc2ccccc21,CID2352857,,,,,,,,,,,,0.0,0.0,,,,0.0
CCOCCN1CCN(c2c3c(nc4cc(-c5ccc(F)cc5)nn24)CCC3)CC1,CID644461,,,,,,,,,,,,,,,0.0,,
COCCN1CCN(c2c3c(nc4cc(-c5cccc(F)c5)nn24)CCC3)CC1,CID3228385,,,,,,,,,,0.0,0.0,0.0,,,,,
O=C(c1cnc2n(c1=O)CCS2)N1CCc2ccccc21,CID4190691,,,,,,,,0.0,,,,,,,,,
CC1Cc2ccccc2N1C(=O)c1cnc2n(c1=O)CCS2,CID4110364,,,0.0,,,,0.0,,,,,,0.0,,,,
CCn1c(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2n(CC)c1=O,CID1251717,,0.0,,0.0,,,,,0.0,,0.0,,0.0,,,,0.0
CCC(C)NC(=O)C(NS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C)c1ccccc1,CID5309497,,,,,,,,,,0.0,0.0,,,,,,
Cc1ccn(C(=O)c2ccc(NC(=O)C3CC3)cc2)n1,CID833522,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)n(C(=O)c2ccc(NC(=O)C3CC3)cc2)n1,CID675735,0.0,,,,,,,0.0,,,,0.0,,,,,
CN(CC(=O)NC(c1ccccc1)c1ccccc1)Cc1nc(=O)c2ccccc2[nH]1,CID2439531,,,,,,,,,0.0,,,,,,,,
CCN(CC(=O)NC(c1ccccc1)c1ccccc1)Cc1nc(=O)c2ccccc2[nH]1,CID2107565,,,,,,0.0,,,0.0,0.0,,,,,,,
COc1cccc(C2=NOC(C(=O)N3CCc4ccccc4C3)C2)c1,CID5307146,0.0,,,,,,,,,,,,0.0,,,,
O=C(C1CC(c2cccc(Br)c2)=NO1)N1CCc2ccccc2C1,CID2962241,,,,,,,,,0.0,,,0.0,,,,,
Cc1nc2c(-c3ccccc3)c(C)nn2c(C)c1CCC(=O)NCc1ccco1,CID5307143,0.0,0.0,,,,,,,,,,,0.0,,,,
Cc1nc2c(-c3ccc(F)cc3)c(C)nn2c(C)c1CCC(=O)NCc1ccco1,CID9550749,,,,,,,,,,,0.0,,,,,,
O=C(NC12CC3CC(CC(C3)C1)C2)N1CCN(c2nc(-c3ccccc3)cs2)CC1,CID3223830,,,,,,0.0,,,,,,,,,,,
COc1cccc(-c2csc(N3CCN(C(=O)NC45CC6CC(CC(C6)C4)C5)CC3)n2)c1,CID3223832,,,,,,,,,,,,0.0,,,,,
O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCOCC1,CID736241,,,,,,,0.0,0.0,,,,,,,,,
CC1CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC(C)O1,CID2999894,,0.0,,,,,,,,,,,,,,,0.0
CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc3c(c2)CC(C)O3)C1c1cccnc1,CID5389644,,,,,,0.0,,,,,,,,,,,0.0
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc3c(c2)CC(C)O3)C1c1cccnc1,CID5738492,,,,,,,,0.0,,,,,,,,,
CC(=O)/C(=N\Nc1ccccc1)N1CCOCC1,CID830610,,,,,,,,,,,,0.0,,0.0,,,
CC(=O)/C(=N\Nc1ccc(C)cc1)N1CCOCC1,CID877442,,,,,,,,,,,,0.0,,,,,
N#CC(C(=O)NCc1ccccc1)c1nc2ccccc2nc1N1CCCC1,CID2998487,,0.0,,,,,,,,,,,,,,,
COc1ccc(CNC(=O)C(C#N)c2nc3ccccc3nc2N2CCCC2)cc1,CID659705,0.0,,0.0,,,,0.0,,,,,0.0,0.0,,0.0,,
Cc1cccc(OCCSc2nnc(-c3ccoc3C)n2C)c1,CID2109033,0.0,0.0,0.0,,0.0,0.0,0.0,,,,,,,0.0,,0.0,
COc1ccc(OCCSc2nnc(-c3ccoc3C)n2C)cc1,CID2111848,0.0,0.0,,,0.0,,,,,,,,,0.0,,0.0,
O=C(NCCN1CCOCC1)c1ccc(CS(=O)(=O)c2ccc(Cl)cc2)o1,CID3241278,0.0,,,0.0,,,,,,,,,,,,,
O=C(NCCN1CCOCC1)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1,CID4324636,0.0,,,,,,,,,,,,,,,0.0,
COCCN1CN=C(Nc2nc3ccccc3s2)NC1,CID665219,,0.0,,0.0,,,,0.0,,0.0,,,0.0,,,,
OCCN1CN=C(Nc2nc3ccccc3s2)NC1,CID663017,,,,,,,,,,0.0,,,,,,0.0,
CN1CCN(/C=N/c2c(C#N)cnn2-c2ccccc2)CC1,CID918472,,0.0,,0.0,,,0.0,0.0,,,,,,,,,
Cc1ccc(-n2ncc(C#N)c2/N=C/N2CCN(C)CC2)cc1,CID918473,,0.0,,,,,,,,,,,,,,,
Cc1ccc(CN2C3=NC(=O)CN3c3ccccc32)cc1,CID1620818,,,,,,,0.0,,,,,,,,,0.0,
O=C1CN2C(=N1)N(Cc1ccccc1)c1ccccc12,CID752578,,,,0.0,,,0.0,0.0,,,,,0.0,,,,0.0
CC(C)NC(=O)CC1C(=O)NCCN1CC(c1ccccc1)c1ccccc1,CID16189214,,,,,,,,,,,,,,,0.0,,
COCCN(C(=O)CC1C(=O)NCCN1CC(c1ccccc1)c1ccccc1)C(C)C,CID16191017,,,,,,,,,,,,,,0.0,,,
c1ccc2[nH]c(SCc3cscn3)nc2c1,CID700470,,,,0.0,0.0,,0.0,,,,,,,,,,
Nc1nc(CSc2nc3ccccc3[nH]2)cs1,CID767910,,,0.0,,0.0,,0.0,,,,,,,,0.0,,
Cc1ccc(S(=O)(=O)N/C(CN2CCOCC2)=N/CCNS(=O)(=O)c2ccccc2)cc1,CID3239117,,0.0,,,,,,,,,,,0.0,,,0.0,
Cc1ccc(S(=O)(=O)NCC/N=C(\CN2CCOCC2)NS(=O)(=O)c2ccc(C)cc2)cc1,CID3236967,,,,,,,,,0.0,,,0.0,,,,,
CN(C(=O)CSc1ccccc1C(=O)O)C1CCCCC1,CID2341510,,,,,,,,,,,,0.0,,0.0,,,
NC(=O)c1ccc(SCC(=O)NC2CCCCC2)c([N+](=O)[O-])c1,CID2555488,,,,,,,,,,,,,,0.0,,,
Cn1c(/C(C#N)=C/C2CC=CCC2)nc2ccccc21,CID5766869,0.0,0.0,,,,,,,,,,,,,,,
N#C/C(=C\C1CC=CCC1)c1nc2ccccc2[nH]1,CID5765352,,,,,,0.0,0.0,,,,,,,,,,
CS(=O)(=O)N(Cc1ccco1)CC(O)Cn1c2ccccc2c2ccccc21,CID2888648,,,,0.0,,0.0,,,,,,,0.0,,,,
OC(CNCc1ccco1)Cn1c2ccccc2c2ccccc21,CID652652,0.0,0.0,,,,0.0,,,,,,,0.0,,,,
CC1CC(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2S1,CID3244165,,0.0,,,,,,0.0,,,,,,,,,
O=C(CN1C(=O)CCSc2ccccc21)Nc1ccc2c(c1)OCCO2,CID3236762,0.0,,0.0,0.0,0.0,,,,,,,,,,,,
COCCCn1c(Cc2csc(Nc3ccccc3)n2)nnc1SCC(N)=O,CID3190566,,,,,,,,,0.0,,,0.0,,,,,
COCCCn1c(Cc2csc(Nc3cccc(Cl)c3)n2)nnc1SCC(=O)OC,CID656349,0.0,,,,,,0.0,,0.0,,,,,0.0,,,
COc1ccc(Cn2nnnc2C(C(C)C)N(Cc2ccco2)Cc2cccs2)cc1,CID649280,0.0,,,,,0.0,0.0,,,,,,0.0,,,,
CC(C)C(c1nnnn1Cc1ccccc1)N(Cc1ccco1)Cc1cccs1,CID653441,0.0,,0.0,,,0.0,,,,,,,,,,,
C/C(=N\NC(=O)C1CC1c1ccccc1)c1ccc(C)s1,CID3410145,,,,,,0.0,,,,,,,,,,,
C/C(=N\NC(=O)C1CC1c1ccccc1)c1cccs1,CID2841891,,,,,,0.0,,,,,,,,,,,
CCOC(=O)C(NC(=O)c1ccccc1)=C1C=C(C)OC(C)=C1,CID2225585,,,,,,0.0,0.0,,,,,,,,,0.0,0.0
COC(=O)C(NC(=O)c1ccccc1)=C1C=C(C)OC(C)=C1,CID759162,,,0.0,,,,,,0.0,0.0,0.0,,0.0,,,,0.0
COc1ccccc1N(CC(=O)NC1CCCC1)C(=O)c1csnn1,CID649022,0.0,0.0,0.0,,,,,0.0,0.0,,0.0,,,,,0.0,
COc1ccc(N(CC(=O)NC2CCCC2)C(=O)c2csnn2)cc1,CID1467641,,,,,,,,,,,0.0,,,,,,
O=S(=O)(Nc1ncnc2sc3c(c12)CCC3)c1ccc(Cl)s1,CID2123309,,,,,0.0,,,,,,,,,0.0,0.0,,
Cc1nc(NS(=O)(=O)c2cccs2)c2c3c(sc2n1)CCC3,CID2997783,,,,,0.0,,,,0.0,,,,,,,,
Cn1c(N2C(=O)CC(Cc3ccccc3)C2=O)nc2ccccc21,CID3130163,,,,,,,,,,,0.0,,,,,,
C=CCn1c(N2C(=O)CC(Cc3ccccc3)C2=O)nc2ccccc21,CID2970198,,0.0,0.0,0.0,0.0,,,0.0,,,,,,,,,
COc1cccc(N2CCN(C(=O)c3ccc4nc(N5CCCCC5)sc4c3)CC2)c1,CID5308427,0.0,,,,,,,,,,,,,,,,
COc1ccc(N2CCN(C(=O)c3ccc4nc(N5CCCCC5)sc4c3)CC2)cc1,CID5307845,0.0,,,,,,,,,,,,,,,,
CCn1ncc(Br)c1C(=O)Nc1sc2c(c1C(N)=O)CCC2,CID2056596,0.0,,,,,,,,0.0,,,,,,,0.0,0.0
CCn1ncc(Br)c1C(=O)Nc1sc2c(c1C(=O)OC)CCC2,CID1311001,0.0,,,,,,,,0.0,,,,,,,,0.0
Cc1nn(Cc2ccc(C(=O)NC3CCCCC3)o2)c(C)c1Br,CID2056590,0.0,,,,,,,,0.0,,0.0,0.0,,,,,0.0
O=C(NC1CCCCC1)c1ccc(Cn2cc(Br)cn2)o1,CID3244142,,,,,,,0.0,,,,,,,,,0.0,0.0
COc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=O)CSc1nnc(N)s1,CID2346465,,,,,0.0,,,,,,,0.0,,,,,
Nc1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)s1,CID2443557,,,,,,,,,,,,0.0,,,,,
CCS(=O)(=O)C(=C1NCCO1)S(=O)(=O)CC,CID787239,,,,,,,0.0,,,,,,,,,,
CCCS(=O)(=O)C(=C1NCCO1)S(=O)(=O)CCC,CID650742,,,0.0,,0.0,,,,,0.0,,,,,,,
COc1ccc(C)cc1-n1c(SCC(=O)Nc2cc(C)on2)nc2sc(C)c(C)c2c1=O,CID2086396,,,,,0.0,,,,,0.0,0.0,,,,0.0,,0.0
CCc1sc2nc(SCC(=O)Nc3cc(C)on3)n(-c3cccc(OC)c3)c(=O)c2c1C,CID2531328,,,,,,,,,,,,0.0,,,,,
N/C(=N\OC(=O)c1ccc(Cl)cc1)c1cccnc1,CID9549606,,,,,,,,,,,0.0,,,,,,
N/C(=N\OC(=O)c1ccc(Cl)cc1Cl)c1cccnc1,CID5349344,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1[nH]c2ccc(C)cc2c1CCCN1C(=O)c2ccccc2C1=O,CID1548079,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1[nH]c2ccccc2c1CCCN1C(=O)c2ccccc2C1=O,CID1548458,,,,,,,,,0.0,0.0,0.0,0.0,,,,,
CCn1ncc(Cl)c1C(=O)Nc1ccncc1,CID892623,0.0,,,,,,,,,,,,0.0,,0.0,0.0,0.0
Cn1ncc(Cl)c1C(=O)Nc1ccncc1,CID903371,,,,,,,,,,,,,,,0.0,,
O=C(O)c1ccc(CS(=O)c2cccc(C(F)(F)F)c2)o1,CID3243251,,,,,,,,0.0,,,,,,,,,
COc1ccccc1S(=O)Cc1ccc(C(=O)O)o1,CID3245075,,,0.0,,,,,0.0,,,,,,,,0.0,
Cc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccco4)cc3n2)cc1,CID782316,,,,,,,,,,,,,,,0.0,,
O=C(/C=C/c1ccco1)Nc1ccc2nn(-c3ccccc3)nc2c1,CID727009,,,,,,,,,,,,,,,0.0,,
COc1ccccc1CNC(=O)C1CCN(c2nc3ccccc3o2)CC1,CID3236140,0.0,,,,,0.0,,0.0,0.0,,0.0,0.0,0.0,,,,0.0
CCOc1ccccc1CNC(=O)C1CCN(c2nc3ccccc3o2)CC1,CID3241632,0.0,,,0.0,0.0,,,,,0.0,0.0,,,,,,
CCCCC1CCC(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1,CID2219578,0.0,,0.0,,,,0.0,,,,,0.0,,,,,0.0
Cc1c(NC(=O)C2(C)CCCCC2)c(=O)n(-c2ccccc2)n1C,CID828217,0.0,,0.0,0.0,,0.0,,,,,,,,,0.0,,0.0
O=C(CSc1nnc(Cn2nnc3ccccc32)o1)N(Cc1ccc(F)cc1)c1ccccc1,CID647700,1.0,,,,,,,,,,0.0,,,,,,
COc1ccc(N(Cc2ccccc2)C(=O)CSc2nnc(Cn3nnc4ccccc43)o2)cc1,CID1431941,,,,,,,,,,,0.0,,,,,,
COc1ccc(C2CN=NC23CCCc2ccccc2C3=O)cc1,CID4097066,,,,,,0.0,,,,,,,,,,,
COc1ccccc1C1CN=NC12CCCc1ccccc1C2=O,CID4141059,,,,,,0.0,,,,,,,,,,,
CN(CC(=O)Nn1cnnc1)S(=O)(=O)c1ccc(Br)cc1,CID1254960,,,,,,,,,0.0,,,,,0.0,,,
CN(CC(=O)Nn1cnnc1)S(=O)(=O)c1cc(Cl)ccc1Cl,CID1301007,,,,,,,,,0.0,,,,,,,,
Cc1cccc(NC2=C(Cl)C(=O)OC2NC(=O)c2ccccc2)c1,CID4215548,,,,,,,,,,0.0,,,,,,,
Cc1ccc(NC2=C(Cl)C(=O)OC2NC(=O)c2ccccc2)cc1,CID3096571,,,,,,,,,,,0.0,,,,,,
O=C(Nc1ccc(N2CCCC2)cc1)C(Cl)c1ccccc1,CID2765086,,,,,,0.0,,,,,,,,,,,
O=C(Cc1ccccc1)Nc1ccc(N2CCCC2)cc1,CID960678,,,,,,0.0,,,,,,,,0.0,,,
O=C(NCCc1ccccc1)c1ccc(=O)oc1,CID662035,,,,,,,,0.0,0.0,0.0,,,,,,0.0,
Cc1cc(=O)oc(C)c1C(=O)NCCc1ccccc1,CID660877,,,,0.0,,0.0,,0.0,0.0,,,,0.0,,0.0,,
COc1cc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(C)on2)ccc1O,CID662034,,,,,,,,0.0,,,,,,,,,
COc1ccc(OC)c(C2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(C)on2)c1,CID2950238,,0.0,,,0.0,,,0.0,,,,,,,,0.0,
CC1(C)CC(=O)C=C(Nc2ccc(Br)cn2)C1,CID2998036,0.0,,,,,,0.0,,0.0,,,,,,,0.0,
CC1(C)CC(=O)C=C(Nc2ccccn2)C1,CID644801,,,0.0,,,,0.0,0.0,0.0,0.0,,,0.0,,,0.0,
Cc1ccc(NCc2nnc(SCC(=O)NCc3ccco3)n2CC2CCCO2)c(C)c1,CID655572,0.0,,,,,,,0.0,,,,,,,0.0,0.0,0.0
Cc1ccc(NCc2nnc(SCC(=O)NCc3ccco3)n2CC2CCCO2)cc1Cl,CID648542,,0.0,0.0,,0.0,,,,0.0,,,0.0,,,,,
O=C(Nc1cccnc1)NC1CCCCC1,CID721806,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1cc(NC(=O)N(CC)C2CCCCC2)c(C)nc1C,CID2471449,,,,,,,,,0.0,,0.0,0.0,,,,,
Cc1ccc(C(=O)c2coc3ccc(O)c(CN4CCN(C)CC4)c23)cc1,CID655577,0.0,,0.0,,,,0.0,0.0,0.0,,,0.0,0.0,,,,0.0
CN1CCN(Cc2c(O)ccc3occ(C(=O)c4ccccc4)c23)CC1,CID1124485,0.0,,0.0,,,,,,0.0,,,0.0,0.0,,,,0.0
O=C(Oc1c(Cl)cc(Cl)c2cccnc12)N1CCCCC1,CID713135,,,,,,,,,,,,,,,,,0.0
O=C(Oc1ccc(Cl)c2cccnc12)N1CCCCC1,CID655650,,,,0.0,,,0.0,,0.0,0.0,0.0,,0.0,,,0.0,0.0
N#CC1=C(N)Oc2cc(N)ccc2C1C1CCCCC1,CID2881568,,,,0.0,,,0.0,,,,0.0,,0.0,,,0.0,
N#CC1=C(N)Oc2cc(O)ccc2C1C1CCCCC1,CID2881638,,,,,,,,,,,,,,,,0.0,
COc1ccc(OC(=O)c2cn(C)nc2C(F)(F)F)cc1,CID1489945,,,,,,,,,0.0,,,,,,,,
Cc1cccc(OC(=O)c2cn(C)nc2C(F)(F)F)c1C,CID1489947,,,,,,,,,0.0,,,,,,,,
O=C(CCC(=O)c1cccs1)Nc1ccccc1F,CID2404323,,,0.0,0.0,,,0.0,0.0,,,,0.0,,,,,
COc1ccc([N+](=O)[O-])cc1NC(=O)CCC(=O)c1cccs1,CID2520723,,,,,,,,,,,,,,0.0,,,
CO/C(O)=C1\NC(=O)c2ccccc2C1=O,CID6093506,,,,,,,,,0.0,,,,,,,,
CCO/C(O)=C1\NC(=O)c2ccccc2C1=O,CID5355209,0.0,,,,,,,,,,0.0,,,,,,
CCc1cc2c(SCC(=O)c3ccccc3)ncnc2s1,CID696853,,,,,,,,,,0.0,,0.0,,,,,
CCc1cc2c(SCC(=O)c3ccc(C)cc3)ncnc2s1,CID2909786,,,,,,,,,,0.0,,,,,,,
Cc1ccc(CNC(=O)CN(C)S(=O)(=O)c2cccs2)cc1,CID4117118,,,,,,,,,,,,,,0.0,,,
CC(C)C(NS(=O)(=O)c1cccs1)C(=O)N(C)Cc1ccccc1,CID6619218,,,,,,,,,,,,0.0,,,,,
Cn1c(SC/C=C/c2ccccc2)nnc1-c1ccco1,CID1987920,0.0,0.0,0.0,0.0,0.0,,,,,,,,,,,0.0,
Nn1c(SC/C=C/c2ccccc2)nnc1-c1ccco1,CID2043591,,0.0,,0.0,,,0.0,,,,0.0,0.0,0.0,,0.0,0.0,
O=C(CN1CCOCC1)Nc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)cs1,CID647652,,0.0,,0.0,0.0,,,,,,0.0,,,,,0.0,0.0
Cc1sc(NC(=O)CN2CCOCC2)nc1-c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1,CID3231862,,,,,,,,,,0.0,0.0,,,,,,
CCCCCCC(=O)N1CCC(c2nc3n(Cc4ccccc4Cl)[nH]nc-3c(=O)n2)CC1,CID647654,,,,,,,,,,,,,0.0,,,,
CC(C)(C)CC(=O)N1CCC(c2nc3n(Cc4c(F)cccc4Cl)[nH]nc-3c(=O)n2)CC1,CID652730,,,,,,,,,,,,,,,,0.0,
Cc1ccc(N(C(=O)c2ccc(Br)o2)C2C=CS(=O)(=O)C2)cc1,CID2886034,0.0,,,,,,,,0.0,,,,,,,0.0,
COc1ccc(N(C(=O)c2ccc(Br)o2)C2C=CS(=O)(=O)C2)cc1,CID3236924,0.0,,,,,,,,,,,,,,,,
CCOc1ccc(-n2cnnn2)cc1S(=O)(=O)N1CCCCC1,CID717936,,0.0,,0.0,,,,,,,,,,,,,0.0
COc1ccc(S(=O)(=O)N2CCCCC2)cc1-n1cnnn1,CID1504226,,,,,,,,,,,,,,0.0,,,
COc1ccc(Oc2nc3ccccc3n(C)c2=O)cc1,CID1471096,,,,,,,,,,,,,,0.0,,,
Cn1c(=O)c(Oc2cc(Cl)cc(Cl)c2)nc2ccccc21,CID1471093,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(-c2nc(C#N)c(N3CCN(Cc4ccccc4)CC3)o2)cc1,CID2192345,0.0,0.0,,0.0,,0.0,,0.0,,,,,,,,,0.0
COc1ccccc1-c1nc(C#N)c(N2CCN(Cc3ccccc3)CC2)o1,CID664260,0.0,0.0,0.0,0.0,,,,,,0.0,0.0,,,,,,0.0
CC(NC1=NS(=O)(=O)c2ccccc21)c1ccccc1,CID2883761,,,,,0.0,,0.0,0.0,,,,0.0,0.0,,,,0.0
O=S1(=O)N=C(NCc2ccccc2)c2ccccc21,CID755735,0.0,,0.0,0.0,0.0,,0.0,,,,,0.0,0.0,,0.0,0.0,0.0
O=S(=O)(NC1CC2CCC1C2)c1ccc(Br)s1,CID2947156,,,,,,,,,0.0,,,,,,,,
O=S(=O)(NC1CC2CCC1C2)c1cccs1,CID738326,0.0,,,,,0.0,,,,,,,,,,,
Nc1nc(N2CCOCC2)nc2ccccc12,CID660065,,0.0,,0.0,,,0.0,0.0,,,,,,0.0,,,
CCOc1ccc2nc(N3CCOCC3)nc(C)c2c1,CID1257512,,,0.0,,,,,0.0,,,,,0.0,,,,
CC(C)(C)NC(=O)C(c1ccco1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccccc1F,CID649792,,,0.0,,,,,,,,,,,,,,
CC(C)(C)NC(=O)C(c1ccco1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccccc1,CID655895,,,,,,,,,,0.0,,0.0,,,,,
Cc1c(NC2=NC(=O)C(CC(=O)Nc3ccc(Cl)cc3)S2)c(=O)n(-c2ccccc2)n1C,CID2946283,,,,,0.0,,0.0,,,,,,,,,0.0,
Cc1c(NC2=NC(=O)C(CC(=O)Nc3ccccc3)S2)c(=O)n(-c2ccccc2)n1C,CID2945494,,0.0,0.0,,0.0,,,,,,,,,,,0.0,
O=c1cc(CSc2ccc(Cl)cc2)[nH]c(N2CCCCC2)n1,CID666053,0.0,0.0,,0.0,0.0,,,,,,,0.0,,,,,0.0
Cc1ccc(SCc2cc(=O)nc(N3CCCCC3)[nH]2)cc1,CID667104,0.0,,,0.0,0.0,,,,,0.0,0.0,,,,,0.0,0.0
COc1ccccc1NC(=O)c1ccc(CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1,CID1361816,,,,,,,,,,,,0.0,,,,,
Cc1cccc(C(C)C)c1NC(=O)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1,CID2211619,,,,,,,,,,,,,,,0.0,,
CCN1C(=O)NC(=O)/C(=C\NCc2cccs2)C1=O,CID5663378,,,,0.0,,,,,,,,,,,,,
CN1C(=O)C(=CNCc2cccs2)C(=O)N(C)C1=O,CID5310771,,,0.0,,,,,0.0,,,,,,,,,
O=c1c2ccccc2n2nnnc2n1-c1ccccc1,CID650278,,0.0,,,,,,,,,,,0.0,,,,
Cc1ccccc1-n1c(=O)c2ccccc2n2nnnc12,CID654449,,,,,,0.0,,,,,,0.0,,,,,
O=C(O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1,CID2513391,,,,,,,,,,,,,,0.0,0.0,,
O=C(O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1,CID2513541,,,,,,,,,,,,,,0.0,0.0,,
CCc1c(C)nc2ncnn2c1N1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1,CID648570,,,0.0,,,,,,,0.0,,,,,,,
Cc1cc(N2CCC(C(=O)N3CCN(c4cccc(C)c4C)CC3)CC2)n2ncnc2n1,CID655402,,,,,,,,,,0.0,,,,,,,0.0
CC1CCc2c(nc3ncnn3c2N2CCN(c3ccccc3F)CC2)C1,CID648573,,0.0,,0.0,,,,,,,,,,,,,
CC1CCc2c(nc3ncnn3c2N2CCN(c3ccccc3)CC2)C1,CID655877,,0.0,0.0,,,,,,,,,,,,,,0.0
COc1ccc(NC(=O)C2CCN(c3cc(C)nc(-c4ccccc4)n3)CC2)cc1,CID648576,,,,,,,0.0,,,0.0,0.0,0.0,0.0,,,,0.0
Cc1cc(N2CCC(C(=O)Nc3ccc(F)cc3)CC2)nc(-c2ccccc2)n1,CID650243,,,0.0,,,,0.0,,,,,0.0,,,,,
Cc1ccc(NC(=O)CS(=O)CC(=O)NC2CCN(Cc3ccccc3)CC2)c(C)c1,CID652698,,0.0,,,0.0,,,,,,,,,,,,
Cc1cccc(C)c1NC(=O)CS(=O)CC(=O)NC1CCN(Cc2ccccc2)CC1,CID645414,,,,,0.0,,,0.0,,,,,0.0,,,,
Cc1nc2c(-c3ccc(F)cc3)c(C)nn2c(C)c1CCC(=O)N1CCC2(CC1)OCCO2,CID3238424,,0.0,,,,,,,,,,,,,0.0,,
Cc1nc2c(-c3ccccc3)c(C)nn2c(C)c1CCC(=O)N1CCC2(CC1)OCCO2,CID3241557,0.0,,,0.0,,,,,,,,,,,,0.0,
Cc1cc(NC(=O)CN2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)no1,CID654693,0.0,,,,,,0.0,,0.0,,,,,,,,
Cc1ccc2c(c1)nnn2C1CCN(CC(=O)Nc2cc(C)on2)CC1,CID653208,,0.0,,,,,0.0,,,,,,,,,,
CC(C(=O)NCc1ccco1)n1cc(C(=O)c2ccco2)c2ccccc21,CID3157245,,,,,,,,,0.0,0.0,,,,,,,
O=C(Cn1cc(C(=O)c2ccco2)c2ccccc21)NCc1ccco1,CID955158,,,,,,,,,0.0,,,,,,,,
CSc1nc2sc3c(c2c2nnnn12)CC(C)(C)OC3,CID658042,0.0,0.0,,,,,0.0,,,,,,,,,,
CC1(C)Cc2c(sc3ncn4nnnc4c23)CO1,CID658076,,0.0,,,,,,,,,,,,,,,
Cc1nc2ccccc2cc1C(=O)N/N=C/c1ccccc1[N+](=O)[O-],CID1229154,,,,,,,,,,,,,,,0.0,,
Cc1ccc2nc(C)c(C(=O)N/N=C/c3ccccc3[N+](=O)[O-])cc2c1,CID838438,,,,,,,,,,,,,,0.0,,,
O=C(Nc1cnn(Cc2ccccc2)c1)c1nc2ncccn2n1,CID649222,,,0.0,0.0,0.0,,0.0,,,,,,,,,,
Cc1ccccc1Cn1cc(NC(=O)c2nc3ncccn3n2)cn1,CID821910,,,,,,,,,0.0,,,,,,,,
CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccc3c(c2)OCO3)c1,CID4839873,,,,,,,,,,,,,,,0.0,,
O=C(COC(=O)c1ccc2c(c1)OCO2)Nc1ccccc1,CID2369043,,,,,,,,,,,,,,0.0,,,
O=C(O)c1ccc(CSc2n[nH]c(-c3ccco3)n2)cc1,CID970822,0.0,0.0,,,0.0,,,,,,,,0.0,,,0.0,
c1ccc(CSc2n[nH]c(-c3ccco3)n2)cc1,CID735682,,,,,,,,,,,0.0,,,,,,
COC(=O)c1ccc(NC(=S)N(Cc2cccnc2)Cc2ccco2)cc1,CID1448195,,,,,,,,,,,,,,,0.0,,
COc1ccc(Cl)cc1NC(=S)N(Cc1cccnc1)Cc1ccco1,CID4098274,,,,,,,,,,,,,,,0.0,,
Cc1cc(NC(=O)c2c(-c3ccccc3Cl)noc2C)no1,CID654032,0.0,,0.0,0.0,,0.0,,,,,,,0.0,,,0.0,0.0
Cc1onc(-c2ccccc2)c1C(=O)Nc1ccon1,CID1244977,,,,,,,,,,,,0.0,,,0.0,,
CC(=O)Nc1ncnc2c1c(-c1ccc(Cl)cc1)nn2C(C)(C)C,CID1471842,,,,,,,,,,,,,,0.0,,,
Cc1ccc(-c2nn(C(C)(C)C)c3ncnc(N)c23)cc1,CID1400,,,,,,0.0,,,,,,,,,,,
CCc1cc(C(=O)N2CCCC(CCC(=O)NCc3cccc(OC)c3)C2)no1,CID16187470,,,,,,,,,,,,,,0.0,,,
COc1cccc(CNC(=O)CCC2CCCN(C(=O)c3cc(C)on3)C2)c1,CID16192434,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(C[N+](=O)[O-])c2c(-c3ccccc3)cc3ccccn23)cc1,CID4017169,,,,,,,,,,0.0,,,,,,,
COc1ccc(C(C[N+](=O)[O-])c2c(-c3ccccc3)cc3ccccn23)cc1OC,CID4559225,,,,,,,,,,,0.0,,,,,,
CCOC(=O)C1CCN(C(=O)Nc2cccc3ccccc23)CC1,CID788256,,,,,,0.0,,,,,,,,,,,
NC(=O)C1CCCN(C(=O)Nc2cccc3ccccc23)C1,CID2948272,0.0,0.0,,0.0,,,,,,,,0.0,,,,,
O=C(CC1(O)C(=O)Nc2cc(Cl)cc(Cl)c21)c1ccncc1,CID663576,,,,,,,,,,,,,0.0,0.0,,,
CN1C(=O)C(O)(CC(=O)c2ccncc2)c2ccccc21,CID2929993,,,,,,,,,,,,0.0,,,,,
CCn1c(SCC(=O)NCC2CCCO2)nc2c(c1=O)SC(C)C2,CID4120298,0.0,,,,0.0,,,,0.0,,,,,,,,
COCCn1c(SCC(=O)NCC2CCCO2)nc2c(c1=O)SC(C)C2,CID3455600,,,,,0.0,,,,,,,,,,,,
CCOC(=O)c1ccc(CNC(=O)c2n[nH]c(=O)c3ccccc23)o1,CID847942,,,,,,,,0.0,,,,,0.0,,,,
O=C(NCc1ccco1)c1n[nH]c(=O)c2ccccc12,CID756024,,,,,,,,,0.0,,0.0,0.0,,,,,
CSc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2s1,CID847943,,,0.0,,0.0,,,,0.0,0.0,,,0.0,,,,
CC(C)CC(=O)Nc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2s1,CID1396986,,,,,,0.0,,,,0.0,,,,,,,
CCC(Sc1nc(=O)c(C#N)c(-c2cccc(OC)c2)[nH]1)C(=O)Nc1nnc(C(C)C)s1,CID2917540,,,,,,,,,,,,,,,0.0,,
CCC(Sc1nc(=O)c(C#N)c(-c2ccccc2)[nH]1)C(=O)Nc1nnc(C)s1,CID2915046,,,,,,,,,,,,0.0,,,,,
COc1ccc(OC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1,CID1087786,,,,,,,,,,0.0,0.0,,,,,,
COc1ccc(OC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1,CID1310291,,,0.0,,,,,,0.0,0.0,,,,,,0.0,
Clc1ccc(NCn2cncn2)nc1,CID778503,0.0,,,,,,0.0,,,,,,0.0,,,,
c1ccc(NCn2cncn2)nc1,CID778505,,,,,,,,,,,,0.0,,,,,
COc1ccc2c(c1)Cc1sc(NC(=O)c3ccccc3)nc1-2,CID1078736,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)Nc2nc3c(s2)Cc2cc(OC)ccc2-3)cc1,CID3553766,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(CCNC(=O)Cn2c(=O)oc3ccccc32)cc1OCC,CID2477881,,,,,,,,,,,,0.0,,,,,
COc1ccc(CCNC(=O)Cn2c(=O)oc3ccccc32)cc1OC,CID1261908,,0.0,0.0,,,0.0,,,,,0.0,0.0,,,,0.0,
CCCCn1c(-c2nn(C)c(C)c2Cl)n[nH]c1=S,CID3331652,,,,,,,,,,,,0.0,,,,,
CCCCn1c(-c2nn(C)cc2Cl)n[nH]c1=S,CID5050469,,,,,,,,,,,0.0,,,,,,
CCOC(=O)C1CCCN(c2c(NCCCN(C)Cc3ccccc3)c(=O)c2=O)C1,CID3245158,,,0.0,,,,,,,0.0,,0.0,0.0,,,,
CCOC(=O)C1CCN(c2c(NCCCN(CC)Cc3ccccc3)c(=O)c2=O)CC1,CID3237256,,,0.0,,,0.0,0.0,,,,,,0.0,,,,0.0
Cc1cc(C)n2nc(SC(C)C(=O)N3CCC4(CC3)OCCO4)nc2n1,CID3245153,,0.0,,,,,,,,,,,,,,,0.0
Cc1cc(C)n2nc(SCC(=O)N3CCC4(CC3)OCCO4)nc2n1,CID3241856,,0.0,,,,,,,,,,,,,,,0.0
CC1CCN(C(=O)CSc2nnc(CNC(=O)c3ccco3)o2)CC1,CID3245154,,,0.0,,,0.0,,0.0,,,,,,,,,
CCC1CCCCN1C(=O)CSc1nnc(CNC(=O)c2ccco2)o1,CID3244261,,,,,,0.0,,0.0,,,,,,,,0.0,0.0
COc1ccccc1OCC(=O)Nc1ccc(CSc2ccccc2)cc1C,CID1208835,,,,,,,,,,,,,,0.0,,,
O=C(COc1ccccc1)Nc1ccc(CSc2ccccc2)cc1,CID2288026,,,,,,,,,,,,,,0.0,,,
Cn1c(=O)[nH]c(=O)c2c1nc(NC1CCCCC1)n2CCO,CID945965,,0.0,,0.0,,,,,,,,,,,,,
CCCCCn1c(NC2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C,CID3146354,,,,,,,,0.0,,,,,,,,,
CCCC12CN(C(=O)c3ccc(OC)cc3)CC(C)(CN(C(=O)c3ccc(OC)cc3)C1)C2=O,CID1305492,,,,,0.0,,,0.0,,0.0,,,,,,,
CCC12CN(C(=O)c3ccc(OC)cc3)CC(CC)(CN(C(=O)c3ccc(OC)cc3)C1)C2=O,CID653993,,0.0,0.0,,0.0,,,,0.0,0.0,0.0,,,,,0.0,0.0
O=C(c1cc2cc3ccc(Cl)cc3nc2o1)N1CCC2(CC1)OCCO2,CID3239301,,,,,,0.0,,,,,,0.0,,,,0.0,
Cc1ccc2cc3cc(C(=O)N4CCC5(CC4)OCCO5)oc3nc2c1,CID3238509,,,0.0,,,,,0.0,,,0.0,,,,0.0,,
COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2cccc(O)c2)CC1,CID2218137,,,,,,0.0,,,,,,,,,,,
COc1ccc(/C=N/NC(=O)C(=O)N2CCN(c3ccccc3OC)CC2)cc1,CID2218111,,,,,,,,,,,,0.0,,,,,
Cc1ccccc1C(=O)Nc1nc(=S)ss1,CID2769195,,,,,,,,,,,,,,0.0,,,
O=C(Nc1nc(=S)ss1)c1ccc(Cl)cc1Cl,CID763960,,,,,,,,,0.0,,,,,,,,
CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2cnn(-c3ccccc3)c2C)C1c1cccs1,CID5739282,,,,,,0.0,,,,,,,,,,,
Cc1c(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)C2c2cccs2)cnn1-c1ccccc1,CID5389311,,,0.0,,,,,0.0,,,0.0,,,,,0.0,
CCOC(=O)C1=C(C)N=C2N=NNN2C1c1cccnc1,CID5711317,,,,,,,,,,,,,,,0.0,,
CCN(CC)C(=O)C1=C(C)N=C2N=NNN2C1c1cccnc1,CID5741964,0.0,,,,,,,,,,,,,,0.0,,
Cc1c(C(=O)O)oc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc12,CID3243996,,,,,,,0.0,,,,0.0,,,,,0.0,
Cc1c(C(=O)O)oc2ccc(S(=O)(=O)N3CCC(C)CC3)cc12,CID3240912,,,0.0,,0.0,,,0.0,0.0,,,,0.0,,,,
O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(c2nnnn2-c2ccccc2)CC1,CID645209,0.0,,,,0.0,,,,,,0.0,,,,,,
O=S(=O)(c1ccccc1)N1CCN(c2nnnn2-c2ccccc2)CC1,CID2416006,,,,,0.0,,,,,,0.0,0.0,0.0,,,0.0,
O=C(CN1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1)N1CCc2ccccc21,CID645204,0.0,,,,0.0,,,,,,,,,,,,
Cc1ccc2c(c1)nnn2C1CCN(CC(=O)N2c3ccccc3CC2C)CC1,CID645965,,0.0,0.0,,,0.0,,,,,,,0.0,,,,0.0
O=C(CN1CCC(n2nnc3cc(F)ccc32)CC1)Nc1ccccc1N1CCOCC1,CID645201,,,,0.0,,,,,,,,,,,,,
Cc1ccc2c(c1)nnn2C1CCN(CC(=O)Nc2ccccc2N2CCOCC2)CC1,CID648572,,,,,,,,,,,,,,,0.0,,
O=C(NN1C(=O)c2ccccc2NC1c1ccccn1)c1ccc(Br)cc1,CID3416613,,,,,,,,,,,,0.0,,,,,
O=C(NN1C(=O)c2ccccc2NC1c1ccccn1)c1ccccc1,CID4108222,,,,,,,,,,,,,,,0.0,,
COc1ccc2nc(NC(=O)C3CCCN(S(=O)(=O)c4c(C)noc4C)C3)sc2c1,CID5309070,,,,0.0,,,,,,,,,,,,0.0,
CCOc1ccc2nc(NC(=O)C3CCCN(S(=O)(=O)c4c(C)noc4C)C3)sc2c1,CID5309621,,,,0.0,,,,,,,,,0.0,,,,
Cc1ccc2oc(-c3cccc(NC(=O)C4CCCO4)c3)nc2c1,CID2973043,0.0,,0.0,,,,,0.0,,,0.0,,,,,,
O=C(Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)C1CCCO1,CID2976279,0.0,0.0,,,,,,,,,,,,,,0.0,0.0
Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)c(C)o1,CID1244186,,,,0.0,,,,0.0,0.0,,0.0,0.0,,0.0,0.0,,0.0
Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3ccoc3C)cc2)c1C,CID1222707,,0.0,0.0,0.0,,,,,,,,,,,0.0,0.0,0.0
CCOC(=O)c1sc(N)c(C#N)c1CSc1nc2ccc(C)cc2[nH]1,CID2545743,,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1sc(N)c(C#N)c1CSc1nc2ccc(OCC)cc2[nH]1,CID2096083,,,,,0.0,,,,0.0,0.0,,,,,,,
Cc1[nH]c2ccccc2c1SCC(=O)N1CCOCC1,CID2153510,,,0.0,0.0,0.0,,,,,0.0,,,0.0,,,,
O=C(CSc1c[nH]c2ccccc12)N1CCOCC1,CID3236814,,,,,0.0,,,,,0.0,,,,,,,
COc1ccc(C(C[N+](=O)[O-])c2c(C)[nH]c3ccccc23)cc1OC,CID3551142,,,,,,,,,,,,,,,0.0,,
COc1cc(C(C[N+](=O)[O-])c2c(C)[nH]c3ccccc23)cc(OC)c1OC,CID3133585,,,,,,,,,,,,0.0,,,,,
COc1ccc(-c2nc(-c3cccs3)c(-c3cccs3)[nH]2)cc1O,CID660514,,,,,0.0,,,,,0.0,,,,,,,
O=[N+]([O-])c1ccc(-c2nc(-c3cccs3)c(-c3cccs3)[nH]2)cc1,CID1325822,,,,,,0.0,,,,,,,,,,,
N#CC1=C(N)OC2=C(C(=O)CCC2)C1C1C=CCCC1,CID660517,,0.0,,0.0,,,,,,,,,,,,,0.0
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C2C1C=CCCC1,CID660807,,,,0.0,,,,,,,,,,,,,0.0
O=C(NCCCN1CCN(CCCNC(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1,CID2932599,0.0,,0.0,,,,,,,,,,,,,,
O=C(NCCCN1CCN(CCCNC(=O)c2ccccc2F)CC1)c1ccccc1F,CID2932750,0.0,,,,,,,,,,0.0,,,,,,
O=c1c2ccccc2nc(SCc2cc(F)cc3c2OCOC3)n1Cc1ccco1,CID1309069,,,,,,,,,,,,,0.0,,,,
CCOC(=O)c1cc2c(c(CSc3nc4ccccc4c(=O)n3Cc3ccco3)c1)OCOC2,CID1309539,0.0,,,,0.0,,,,,,1.0,,0.0,,,0.0,
Cc1nn2c(-c3ccc(Cl)cc3)nnc2s1,CID662911,,0.0,0.0,0.0,0.0,,,,,,,,,,,,0.0
Cc1nn2c(-c3ccc(Cl)cc3Cl)nnc2s1,CID665756,,,,,,,,,,,,,,,,,0.0
CC(C)CN(CC(C)C)S(=O)(=O)N1CCC(C(=O)NCc2ccccn2)CC1,CID3242439,,,0.0,,,,,,,,,,,,,0.0,
CCS(=O)(=O)N1CCC(C(=O)NCc2ccccn2)CC1,CID3243901,,,,,,,,,,,,,,,,,0.0
COc1ccc(-c2ccc3c(N)c(C(=O)c4cccc(OC)c4)sc3n2)cc1,CID1004092,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(=O)c2sc3nc(-c4ccccc4)ccc3c2N)cc1OC,CID1036385,,,,,,0.0,,,,,,,,,,,
CCOc1cc(S(=O)(=O)NCc2ccc(OC)cc2)c(OCC)cc1-n1cnnn1,CID1428926,,,,,,,,,0.0,,,,,0.0,,,
CCOc1cc(S(=O)(=O)NCc2ccccc2)c(OCC)cc1-n1cnnn1,CID1428931,,,,,,,,,,0.0,0.0,,,,,,
C=CCn1cc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)c2cc(S(=O)(=O)N(CC)CC)ccc21,CID9551410,,,,,,,,,,,,,,,0.0,,
CCn1cc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21,CID9551413,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(N2C(=O)C3C4C=CC(CC4)C3C2=O)c([N+](=O)[O-])c1,CID3120452,,,,,,0.0,,,,,,,,,,,
COc1ccc(N2C(=O)C3C4C=CC(CC4)C3C2=O)c([N+](=O)[O-])c1,CID2871036,,,,,,0.0,,,,,,0.0,,,,,
O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)NCc1ccc2c(c1)OCO2,CID2202937,,,,,0.0,,,,,0.0,0.0,,,,,,
CC(Sc1nnc(-c2cccs2)n1-c1ccccc1)C(=O)NCc1ccc2c(c1)OCO2,CID4212372,,,,,,0.0,,,,,,,,,,,
O=C(C1=C(O)C(=O)N(Cc2ccco2)C1c1cccnc1)c1cc2ccccc2o1,CID2944910,,,,,,,,0.0,0.0,,,,0.0,,,,
COc1cccc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)C3c3cccnc3)oc12,CID2951279,,,,,,,,,0.0,,,,,,,,
CCOc1ccccc1NC(=O)C1CC2CCCC(C1)C2=O,CID2969703,,,,,,,0.0,,,0.0,,,,,,,0.0
O=C(Nc1ccc(Cl)cc1)C1CC2CCCC(C1)C2=O,CID2920966,,,,0.0,,,,,,0.0,,,0.0,0.0,,0.0,0.0
C=CC/N=c1\sc(C(=O)OC)cc(=O)n1CC=C,CID3244870,,0.0,,,,,,0.0,,,,,,,,,
CCCC/N=c1\sc(C(=O)OC)cc(=O)n1CCCC,CID3240601,,,,,,,,,,,,,,,,,0.0
CCOc1ccc(CCNC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc1OCC,CID1205147,0.0,0.0,0.0,0.0,,,,,,,,,,,,,
COc1ccc(CCNC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc1OC,CID1207917,,0.0,0.0,,,,,,,,,,,,,,
O=S(=O)(Nc1ccc(-n2cccc2)cc1)c1ccccc1,CID2768245,,,,,,,,,,,,0.0,,,,,
O=S(=O)(Nc1ccc(-n2cccc2)cc1)c1ccc(Cl)cc1Cl,CID2768244,,,,,,,,,,,,,,0.0,0.0,,
C=CCn1cnc2c(NCc3ccccc3)ncnc21,CID1258251,,0.0,0.0,0.0,,,,0.0,,,,0.0,,,0.0,0.0,
CC(C)CCn1cnc2c(NCc3ccccc3)ncnc21,CID776563,,,,,,0.0,,,,,,,,,,,
Cc1ccc(/C=C2/SC(=S)N(CCC(=O)N3CCN(C)CC3)C2=O)cc1,CID1951245,,,,,,,,,,,,,,,0.0,,
CCc1ccc(/C=C2\SC(=S)N(CCC(=O)N3CCN(C)CC3)C2=O)cc1,CID1371564,,,,,,,,,,,,,,,0.0,,
COc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=O)Nc3ccccc3)cc2c1,CID646408,0.0,,0.0,,,,,0.0,,,,,,,,,0.0
CCOc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=O)Nc3ccccc3OC)cc2c1,CID649587,,,0.0,,,,,,,,0.0,,0.0,,,,
Cc1cccc2nc(=S)n(C(=O)c3ccco3)n12,CID663880,,0.0,,0.0,,,,0.0,,0.0,0.0,,0.0,,,,0.0
O=C(c1ccco1)n1c(=S)nc2ccccn21,CID664789,,0.0,,,,0.0,,,,,,,0.0,,,,0.0
CC(C)c1nnc(NC(=O)CCC(=O)NCC2CCCO2)s1,CID665488,,0.0,0.0,,,0.0,,,,,,,,,,0.0,
CCc1nnc(NC(=O)CCC(=O)NCC2CCCO2)s1,CID665403,,0.0,,0.0,,,,0.0,,,,,,,,0.0,
O=C(c1ccco1)N1CCN(C(=O)c2cc(-c3ccccn3)nc3ccccc23)CC1,CID2408456,0.0,,,,,,0.0,,0.0,,0.0,0.0,,,,,
O=C(c1ccco1)N1CCN(C(=O)c2cc(-c3ccccn3)nc3ccc(Cl)cc23)CC1,CID2220893,0.0,,0.0,,,,,,,,,,,,,,
Cc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)C1,CID3240404,0.0,,0.0,,0.0,,,,,,,,,,,,0.0
Cc1nn(C)c(C)c1S(=O)(=O)N1CCCC(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)C1,CID3241284,0.0,,,0.0,0.0,,0.0,,,,,,,,,,
COc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3ccc(NC(C)=O)cc3)c2=O)cc1,CID3240406,,,0.0,,,,,,,,0.0,,,,,,
COc1cccc(-n2c(=O)[nH]cc(C(=O)Nc3ccc(NC(C)=O)cc3)c2=O)c1,CID4113286,,,0.0,,,,,0.0,0.0,,,,,0.0,,,
COc1ccccc1N1CCN(C(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)CC1,CID1314027,,0.0,,0.0,0.0,,,,,,,,,,,0.0,
CS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2F)CC1)c1ccc2c(c1)OCCO2,CID1313869,,,,0.0,0.0,,0.0,,,,,,0.0,,,,
O=C(Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1)c1cccnc1,CID1314023,,,0.0,,,,,,,,,,,,,,0.0
O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1cccnc1,CID1085987,,,0.0,0.0,,,0.0,0.0,,,,,,,,,0.0
Cc1csc(SCC(=O)Nc2sc3c(c2C#N)CCC3)n1,CID2463498,,,,,,,,,0.0,,,,,,,,
CCOC(=O)Cc1csc(SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)n1,CID2116864,,,,,0.0,,,,,,,,,,,,
O=C(OCc1cnc(Cl)s1)c1cccs1,CID1479751,,,,,,,,,,,,,,0.0,0.0,,
O=C(OCc1cncs1)c1cccs1,CID1488960,,,,,,,,,,,,,,0.0,,,
COc1cc(-c2cc(OC)c3c(C)oc(C)c3c(=O)c2)ccc1O,CID649191,,,,0.0,,,,0.0,,,,,0.0,,,0.0,
COc1ccc(-c2cc(OC)c3c(C)oc(C)c3c(=O)c2)cc1OC,CID652095,,,,,,0.0,,,,,0.0,,,0.0,,,0.0
COc1ccc(CCNC(=O)Cn2nnc(-c3cccs3)n2)cc1OC,CID651064,,,0.0,,,,,0.0,,,0.0,,,,,0.0,
O=C(Cn1nnc(-c2cccs2)n1)NCCc1ccccc1,CID859216,,,,,,,,,,,,,,,0.0,,
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C3CCCCC3)cc2)n1,CID651060,,0.0,,,,,,0.0,,,,,,,,,0.0
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C3CCCCC3C(=O)O)cc2)n1,CID3239825,,,,,,,,0.0,0.0,,,0.0,,,,,0.0
O=C(Nc1cccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1)c1cccc([N+](=O)[O-])c1,CID1365949,,,,,,0.0,,,,,,,,,,,
O=C(Nc1cccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1)c1ccc([N+](=O)[O-])cc1,CID1271212,,,,,,0.0,,,,,,,,,,,
CC1(C)CC(=O)C(CC2=C(O)CC(C)(C)CC2=O)C(=O)C1,CID2827233,,,,,,,,,,,,,0.0,,,,
CCCC(C1=C(O)CC(C)(C)CC1=O)C1C(=O)CC(C)(C)CC1=O,CID3129659,,,,,,,,,0.0,,,,,,,,
CCn1c(SCc2nc3ccccc3s2)nnc1-c1cccs1,CID2586350,0.0,,,,0.0,,,,,,,,,,0.0,,
Cn1c(SCc2nc3ccccc3s2)nnc1-c1cccs1,CID2142239,,,,,,,,,0.0,,,,,0.0,,,
COC(=O)c1c(C(=O)OC)c2n(c1C)CCC2,CID2904929,,0.0,,,,,,,,,,,0.0,,,0.0,
CCOC(=O)c1c(/N=C/N(C)C)c(C#N)n2c1CCC2,CID3260865,,,,,,,,,,,,,0.0,,,0.0,
Cc1ccc(C(=O)Oc2oc(-c3ccco3)nc2/C=N/c2ccc(Cl)cc2)cc1,CID1905664,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C(=O)Oc2oc(-c3ccco3)nc2/C=N/c2ccccc2)cc1,CID1903139,,,,,,0.0,,,0.0,0.0,,,,1.0,,,
COc1ccc(-c2nnc(NC(=O)c3cc(C)on3)s2)cc1,CID1246159,0.0,0.0,,0.0,,,,,0.0,,0.0,,,,,0.0,
Cc1cc(C(=O)Nc2nnc(-c3ccccc3)s2)no1,CID3235806,0.0,0.0,0.0,,,,0.0,,,0.0,0.0,,,,,0.0,
CC1/C(=N/O)CC(c2ccco2)NC1c1ccco1,CID2847267,,,,,,,,,,,,,,,0.0,,
CCC1/C(=N/O)CC(c2ccco2)NC1c1ccco1,CID2855126,,,,,,0.0,,,,,,,,,,,
O=C(O)CC(c1ccccc1)n1cnnn1,CID3238786,,0.0,,0.0,,0.0,,0.0,,,,,,,,,
COc1cc(Cn2cnnn2)ccc1O,CID690246,,,,,,,,,0.0,,,0.0,,,0.0,0.0,
CN(CCCC(=O)Nc1ccncc1)S(=O)(=O)c1ccc(Cl)cc1,CID654714,0.0,,0.0,0.0,0.0,,0.0,,,,,,0.0,,,,0.0
Cc1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2ccncc2)cc1,CID2202139,,0.0,,0.0,0.0,,0.0,,0.0,,0.0,,,0.0,,0.0,
CC(=O)Nc1cccc(Oc2cc(C#N)c(C#N)cc2N2CCOCC2)c1,CID1087089,,0.0,0.0,,,,0.0,,,,,0.0,,,,,
N#Cc1cc(Oc2ccc(Cl)cc2)c(N2CCOCC2)cc1C#N,CID624519,,,,,,,,,,,,,,0.0,,,
Clc1ccc2nc(N3CCCCC3)[nH]c2c1,CID771785,0.0,,,,,,0.0,,,,0.0,,,0.0,,,
Nn1c(N2CCCCC2)nc2ccccc21,CID876298,,,,,,,,,,,0.0,0.0,,,,,
CN1CCN(C(=O)c2cc3c(s2)-c2ccccc2S(=O)(=O)C3)CC1,CID5309101,,0.0,,,,,,,,,,,,,,,
CCN1CCN(C(=O)c2cc3c(s2)-c2ccccc2S(=O)(=O)C3)CC1,CID5307822,,,0.0,,,,,,0.0,,,,,,,,
CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1nc2ccccc2s1,CID2196864,,0.0,,,0.0,,0.0,,,0.0,,0.0,,,,,0.0
CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1nc2ccccc2s1,CID2196101,,,,0.0,0.0,,0.0,,,0.0,0.0,0.0,0.0,,,0.0,0.0
CCN(CCCNC(=O)CCn1c(=O)[nH]c2ccccc2c1=O)c1ccccc1,CID3238430,,0.0,,,,,,,0.0,0.0,,,,,0.0,,0.0
CCN(CCCNC(=O)CCn1c(=O)[nH]c2ccccc2c1=O)c1cccc(C)c1,CID3244660,,,,0.0,,,,,,,,,,,,,0.0
C/C(=N\OC(=O)c1ccc(C)cc1)c1sc(C)nc1C,CID1491496,,,,,,,,,,,,0.0,,0.0,,,
C/C(=N\OC(=O)c1cccc(Cl)c1)c1sc(C)nc1C,CID1491500,,,,,,,,,,0.0,,,,,0.0,,
O=C(OCc1nnc(-c2ccccc2)o1)c1cccnc1Cl,CID2105651,,,,,,,,,,,,,,0.0,,,
CCOc1ncccc1C(=O)OCc1nnc(-c2ccccc2)o1,CID2086763,,,0.0,,,,,,0.0,,,,0.0,,,,
Cc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccc(-c4nnco4)cc3)CC2)cc1,CID2548067,,,,0.0,,,,,,,,,,,0.0,,
O=C(COc1ccc(-c2nnco2)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1,CID2594875,,,,,,,,,,,,,,,,0.0,0.0
COc1ccc(OC)c(S(=O)(=O)Nc2ccc3oc4c(c3c2)C(=O)CCC4)c1,CID651839,,,0.0,,0.0,,0.0,0.0,0.0,0.0,,,,,0.0,,
CC1(C)CC(=O)c2c(oc3ccc(NS(=O)(=O)c4ccc(C(=O)O)cc4)cc23)C1,CID1094893,,,,,,,,,,,,,,,0.0,,
Cc1ccc(S(=O)(=O)NC(CC(=O)NCC2CCCO2)c2ccccc2)cc1,CID2925081,,,,,,,,,,,,,,,0.0,,
COc1cccc(C(CC(=O)NCC2CCCO2)NS(=O)(=O)c2ccc(C)cc2)c1OC,CID3245151,,,,,0.0,,,0.0,,,,,,,,,
CC1CCc2c(sc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)c2C#N)C1,CID2979185,,,,,,0.0,,,,,,,,,,,
N#Cc1c(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)sc2c1CCCC2,CID1325707,,,,,,0.0,,,,,,,,,,,
Cc1ccc(S(=O)(=O)N2CCN(C3CC(=O)N(Cc4ccccc4)C3=O)CC2)cc1C,CID2998247,,,0.0,0.0,,,0.0,,,0.0,,,,,,,0.0
O=C1CC(N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C(=O)N1Cc1ccccc1,CID2999209,0.0,,,,0.0,,,,,,,,,,,,0.0
CCOC(=O)N1CCC(NC(=O)Cn2cccc2C(=O)c2ccccc2)CC1,CID3243608,0.0,,,,0.0,0.0,,,0.0,,,,,,,,
CCOC(=O)N1CCC(NC(=O)Cn2cccc2C(=O)c2ccccc2C)CC1,CID3240256,0.0,,,,0.0,,,,0.0,,,0.0,,,,,
Cn1c(OCc2ccc3c(c2)OCO3)nc2c1c(=O)n(Cc1cccc(Cl)c1)c(=O)n2C,CID657869,0.0,,,0.0,,,,,,,,,,,,,
Cn1c(OCc2ccc3c(c2)OCO3)nc2c1c(=O)n(Cc1ccc(Cl)c(Cl)c1)c(=O)n2C,CID4680942,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)c(NC(=O)Cn2c(=O)n(Cc3ccco3)c(=O)c3ccccc32)c(C)c1,CID3237376,0.0,,,,,,,,0.0,,0.0,,,,,,
O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2ccccc21)Nc1cccc(Cl)c1,CID5307498,0.0,,,,,,,,,,,,,,0.0,0.0,0.0
O=C(Sc1nnc(-c2ccccc2)o1)N1c2ccccc2Sc2ccccc21,CID1160940,,0.0,,,0.0,,,,,0.0,0.0,,,0.0,,,
COc1ccc(-c2nnc(SC(=O)N3c4ccccc4Sc4ccccc43)o2)cc1,CID1028458,,,,,,0.0,,,,0.0,0.0,,,,,,
Cc1ccc(-c2nc(C3CCN(S(=O)(=O)c4ccc(C(F)(F)F)cc4)CC3)no2)cc1,CID3241603,0.0,,,,0.0,,,,,,,,,,,,
Cc1ccc(-c2nc(C3CCN(S(=O)(=O)c4ccc(C(C)(C)C)cc4)CC3)no2)cc1,CID3545035,,,,,,,,,,,,,,,0.0,,
Cn1c(N)c(C(=O)CSc2ccc3c(c2)OCCO3)c(=O)n(C)c1=O,CID2116318,,,,,,,,,,0.0,,,,,,0.0,
CC(C)Cn1c(N)c(C(=O)CSc2ccc3c(c2)OCCO3)c(=O)n(C)c1=O,CID2122192,,,,,,,,,,,0.0,0.0,,,,,
CN1/C(=C\C=N\c2ccccc2)C(C)(C)c2ccccc21,CID1796527,,,,,,0.0,,,,,,,,,,,
CN(C)c1ccc(/N=C/C=C2\N(C)c3ccccc3C2(C)C)cc1,CID1676177,,,,,,0.0,,,,,,0.0,,,,,
COc1ccc(S(=O)(=O)Nc2ccc3ccccc3c2)cc1C,CID893971,,,,,,0.0,,,,0.0,0.0,,,,0.0,,
Cc1ccc(S(=O)(=O)Nc2ccc3ccccc3c2)cc1,CID224144,,,,,,0.0,,,,,,,,,,,
C=CCNc1nc(-c2sc(NC(=O)CC)nc2C)cs1,CID2292227,,0.0,,,0.0,,,,0.0,0.0,,,0.0,,,,
C=CCNc1nc(-c2sc(NC(C)=O)nc2C)cs1,CID3144338,,,,,0.0,,,,,0.0,,,,,,0.0,
O=C(CNC(=O)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccccc1)OCc1ccccc1,CID1947460,,,,,,,,,,,,,,,0.0,,
O=C(CNC(=O)/C(=C\c1ccc(F)cc1)NC(=O)c1ccccc1)OCc1ccccc1,CID5730275,,,,,,,,,,,,,,,0.0,,
COc1ccc(-n2nnnc2SCC(=O)N2CCOCC2)cc1,CID859708,,0.0,0.0,0.0,,,,,,0.0,,,,,,,
Cc1cc(C)cc(-n2nnnc2SCC(=O)N2CCOCC2)c1,CID858458,,,,,,,,,,0.0,,,,,,,
Cc1cc2ccccc2nc1SCC(=O)N1c2ccccc2CC1C,CID3178379,,,,,,,,,,,,0.0,,,,,
Cc1ccc2nc(SCC(=O)N3c4ccccc4CC3C)c(C)cc2c1,CID3189726,,,,,,0.0,,,,,,,,,,,
O=c1c(O)c(-c2cccs2)oc2ccccc12,CID254340,,,,,0.0,,0.0,,,,,,,,,,
O=c1c(O)c(-c2cccs2)oc2ccc(Cl)cc12,CID728868,,,,,,,,,,0.0,,,,0.0,,,
Cc1[nH]n(-c2ccccc2)c(=O)c1/C=C1/C=Nc2ccccc21,CID5338709,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-n2[nH]c(C)c(/C=C3\C=Nc4ccccc43)c2=O)cc1C,CID789590,,,,,,,,,,,,,,,0.0,,
COc1cc(OC)c(S(=O)(=O)N2CCCCC2)cc1S(=O)(=O)N1CCCCC1,CID1506525,,,,,0.0,,0.0,,,,0.0,,,,,,
NC(=O)C1CCN(S(=O)(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CC1,CID654113,,,0.0,,0.0,,,,,,,,,0.0,,0.0,
CC1=NN(C(=O)Cc2ccccc2)C(O)(c2cccnc2)C1,CID2877858,,,,,,0.0,,,,,,,,,0.0,,
COc1ccc(CC(=O)N2N=C(C)CC2(O)c2cccnc2)cc1OC,CID3521138,,,,,,,,,,,,,,0.0,,,
Cc1c(-n2c(SCC(=O)O)nnc2-c2ccccc2Cl)c(=O)n(-c2ccccc2)n1C,CID2095442,0.0,,,,0.0,,,,,,,,,,,,0.0
C=CCNC(=O)CSc1nnc(-c2ccccc2Cl)n1-c1c(C)n(C)n(-c2ccccc2)c1=O,CID2411546,,,,,,,,,,,,,,,0.0,,
CC(/C=N/n1cnnc1)=C\c1ccco1,CID1845454,,0.0,0.0,0.0,,,,,,,,,,,0.0,0.0,0.0
C(=C/c1ccco1)\C=N\n1cnnc1,CID5389320,,,0.0,,,,,,,,,,0.0,,,,
Nc1nc(CN2CCN(Cc3ccccc3)CC2)nc(Nc2ccccc2)n1,CID1833874,,,,,,,,,,,0.0,,,,,,
COc1ccccc1Nc1nc(N)nc(CN2CCN(Cc3ccccc3)CC2)n1,CID667344,,0.0,0.0,,,,,,,,,,,,0.0,0.0,
Cc1ccc(C(=O)C2C(c3cccs3)NC(=O)NC2(O)C(F)(F)F)cc1,CID660497,0.0,,,,0.0,,,,,0.0,,,,,,,0.0
O=C1NC(c2cccs2)C(C(=O)c2ccccc2)C(O)(C(F)(F)F)N1,CID3146804,0.0,,,,0.0,,0.0,,,,,,,,,,0.0
CCSc1nnc(NC(=O)COc2ccc3ccccc3c2)s1,CID898673,,,,,,0.0,,,0.0,0.0,,,,,0.0,,
C=CCSc1nnc(NC(=O)COc2ccc3ccccc3c2)s1,CID2092314,,,,,,0.0,,,0.0,0.0,,,,,0.0,,
Cc1cc2ncn(-c3ncnc4sc(C)c(C)c34)c2cc1C,CID704084,0.0,,,,,,,,,,,0.0,0.0,,,0.0,
Cc1sc2ncnc(-n3cnc4ccccc43)c2c1C,CID1069561,,0.0,,0.0,,,,,,,0.0,,0.0,,,0.0,
CC(=O)Sc1nc(-c2ccccc2)[nH]c1S(=O)(=O)c1ccc(C)cc1,CID2131557,,,,,,,,,,,,,,,0.0,,
CSc1nc(-c2ccc(C)cc2)[nH]c1S(=O)(=O)c1ccccc1,CID950262,,,,,,,,,,,0.0,,,0.0,0.0,,
CCCCn1nc2cc(C(=O)NCc3ccc4c(c3)OCO4)ccc2c1OCC,CID11958416,,,,,,,,,,,,,,,0.0,,
CCCn1nc2cc(C(=O)NCc3ccc4c(c3)OCO4)ccc2c1OCC,CID11958679,,,,,,0.0,,,,,,,,,,,
COC(=O)/C=C1\C(=O)N(c2nc3ccc(OC)cc3s2)C(=S)N1c1ccc(F)cc1,CID5834049,,,,,,,,,,,,,,,0.0,,
COC(=O)/C=C1\C(=O)N(c2nc3ccccc3s2)C(=S)N1c1ccc(F)cc1,CID2028276,,,,,,0.0,,,,,0.0,,,,,,
Cc1ccc(-c2noc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)n2)cc1,CID1287395,,,,,,0.0,,,,,,,,,,,
c1ccc(-c2noc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)n2)cc1,CID1280376,,,,,,,,,,,,,,,,,0.0
CC1(C)CC(=O)C2=C(C1)N(c1ccccc1C#N)C(N)=C(C#N)C2c1cccs1,CID3244933,,,,,,,,,,,,,,,,0.0,
N#CC1=C(N)N(c2ccccc2)C2=C(C(=O)CCC2)C1c1cccs1,CID3237571,,,,,0.0,,,0.0,,,,,,,,,
O=C(Cn1c(C(F)(F)F)nc2ccccc21)NCCCN1CCOCC1,CID4919557,,,,,,,,,,,,,,0.0,,,
O=C(Cn1cnc2ccccc21)NCCCN1CCOCC1,CID2959631,,0.0,,,,,0.0,,,,,0.0,,,,,
O=C1CC(Cc2ccccc2)C(=O)N1Cc1ccco1,CID3151045,,,,,,0.0,,0.0,,,,,,,,,
Cc1ccc(CC2CC(=O)N(Cc3ccco3)C2=O)cc1,CID2928864,,,,,,,0.0,,,,,,,,0.0,,
O=C(c1ccc(F)cc1)C1CCN(C(=O)N2CCOCC2)CC1,CID653145,,,,,,,,,,,,,,,,0.0,
O=C(c1ccc(Cl)cc1)C1CCN(C(=O)N2CCOCC2)CC1,CID648124,,,0.0,0.0,,,,,,0.0,,,,0.0,,,0.0
CCCS(=O)(=O)N1CCCC(C(=O)NCCN(CC)c2ccccc2)C1,CID3236037,,,,,,,,,,0.0,,,,,,,
CCN(CCNC(=O)C1CCCN(S(=O)(=O)CC)C1)c1ccccc1,CID3245787,,0.0,0.0,,,,,,,,,,,,,,
CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NCC2CCCO2)cc1,CID2865676,,,,,,,,,,,,,,,0.0,,
Cc1ccccc1CN(c1ccc(C(=O)NCC2CCCO2)cc1)S(C)(=O)=O,CID3343781,,,,,,,,,,,,,,,0.0,,
O=C(CSc1nc(-c2ccccc2Cl)ns1)NCc1ccco1,CID3239196,,0.0,,0.0,,,,,0.0,,,,0.0,,,,
Cc1cccc(-c2nsc(SCC(=O)NCc3ccco3)n2)c1,CID3241337,0.0,,,,,,,,0.0,,0.0,,,,,,
O=C(Nc1ccccc1C(=O)NCCc1ccccc1)c1ccco1,CID722995,,,,,,,,,0.0,,,0.0,,,,,
COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccco2)cc1OC,CID1076034,0.0,,0.0,,,,,,0.0,,,0.0,,,,,
CNc1nc2c(C)cccn2c(=O)c1/C=N/Cc1ccccc1,CID764881,,,,,,,,,,,,0.0,,,,,
Cc1cccn2c(=O)c(/C=N/Cc3ccccc3)c(NCCO)nc12,CID1565693,,0.0,,0.0,,0.0,,0.0,,,,,,,,,
CN1C(=O)/C(=C(/C#N)c2nc3ccccc3[nH]2)c2ccccc21,CID6534402,,,,,,0.0,,,,,,,,,,,
CCN1C(=O)/C(=C(/C#N)c2nc3ccccc3[nH]2)c2ccccc21,CID6522724,,,,,,0.0,,,,,,,,,,,
Nc1[nH]c(SCc2ccccc2)nc(=O)c1-c1ccccc1,CID848458,,0.0,,,0.0,,0.0,0.0,,,,,,,,,
Nc1[nH]c(SCc2ccc(Cl)cc2)nc(=O)c1-c1ccccc1,CID848460,,,,,,,,,,0.0,,,,,,,
CCCCC(C(=O)NC(=O)NCc1ccccc1)N1C(=O)c2ccccc2C1=O,CID4263016,,,,,,0.0,,,,,0.0,,,,,,
CC(C(=O)NC(=O)NCc1ccccc1)N1C(=O)c2ccccc2C1=O,CID660938,,,0.0,,0.0,,,0.0,,,,,0.0,,,,
Cc1ccc(/N=C2/C(=S)N(c3ccc(C)cc3)C(=N)N2/N=C/c2ccc(Cl)cc2)cc1,CID1777481,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1ccc(/N=C2/C(=S)N(c3ccc(C(=O)OCC)cc3)C(=N)N2/N=C/c2ccccc2)cc1,CID383291,,,,,,,,,,0.0,,,,0.0,,,
COCCn1c(C)cc(C(=O)COC(=O)c2ccc([N+](=O)[O-])o2)c1C,CID2403674,,,,,,,,,,,,,,,0.0,,
Cc1cc(C(=O)COC(=O)c2ccc(Br)o2)c(C)n1C,CID2535492,,,,,,,,,,,,,,,0.0,,
CC(NCc1ccco1)=C1C(=O)c2ccccc2C1=O,CID649653,0.0,,,0.0,0.0,,,,,,,,,,,0.0,0.0
O=C1C(=CNCc2ccco2)C(=O)c2ccccc21,CID869136,,,0.0,0.0,0.0,,,0.0,,,,,0.0,,,0.0,
Cc1cc(NC(=O)c2noc3c2CCCCC3)nn1Cc1ccc(Cl)cc1,CID3241373,0.0,,,,,,,,,,,,,,,,0.0
Cc1ccc(Cn2ccc(NC(=O)c3noc4c3CCCCC4)n2)cc1,CID3242754,0.0,,,,,,,,,,,,,,0.0,,
CC(C)CC(=O)Nc1nc(=O)c2c([nH]1)CCCC2,CID4210206,,,,,,,,,,0.0,,,,,,,
CCCC(=O)Nc1nc(=O)c2c([nH]1)CCCC2,CID3400326,,,,,,,,,0.0,,,0.0,,,0.0,,
CCC(CC)c1nnc(NC(=O)c2ccc3ccccc3n2)s1,CID2091388,,,,,,0.0,,,,,,,,,,,
CCSc1nnc(NC(=O)c2ccc3ccccc3n2)s1,CID2121796,,,,,,,,,0.0,0.0,,,,,,,
COC(=O)CC1C(=O)NCCN1C(=O)c1ccccc1,CID2950466,,,,,,,,0.0,,,,,0.0,,,,0.0
CCOC(=O)CC1C(=O)NCCN1C(=O)c1c(F)cccc1F,CID357403,,,,,,,,,0.0,,0.0,,,,,,
O=c1/c(=C/c2cccs2)sc2nc3ccccc3n12,CID1949153,,,,,,0.0,,,,,,,,,,,
Cc1ccc2c(nc3s/c(=C\c4cccs4)c(=O)n32)c1C,CID699149,,0.0,0.0,,,0.0,0.0,,,,,,,,,,
COc1ccc2oc(=O)c(C(=O)N3CCCc4ccccc43)cc2c1,CID651568,,,,,,,0.0,,,0.0,,,,,0.0,,
Cc1ccc2c(c1)CCCN2C(=O)c1cc2ccccc2oc1=O,CID1244202,,,,,,,,,,,,,,0.0,0.0,,
O=C(Cn1cnc2c(nnn2Cc2ccccc2)c1=O)c1ccccc1,CID5310525,,0.0,0.0,0.0,,,0.0,,,,,,,,,,
O=C(Cn1cnc2c(nnn2Cc2ccccc2)c1=O)c1ccc(Cl)cc1,CID5310497,,,0.0,,,,,,,,,,,0.0,,,
COC(=O)c1ccc(CSc2nc(C)nc3c2c(=O)n(C)c(=O)n3C)o1,CID5310522,,,,,,,,,0.0,,,,,,,,1.0
CCc1nc(SCc2ccc(C(=O)OC)o2)c2c(=O)n(C)c(=O)n(C)c2n1,CID5310559,,0.0,0.0,,,,,0.0,,,,,0.0,,,,
COc1ccc2c(c1)CC/C(=C\C=C\c1ccccc1OC)C2=O,CID1811460,,,,,,,,,,,0.0,,,,,,
COc1ccc2c(c1)C(=O)/C(=C/C=C/c1ccccc1)CC2,CID1811463,,,,,,,,,,,0.0,,,0.0,,,
CCCCc1c(C)nn(-c2nnc3c4ccccc4n(C)c3n2)c1C,CID658282,,,0.0,,,0.0,,,,,,,,,,,
CCCCc1c(C)nn(-c2nnc3c4ccccc4n(CC)c3n2)c1C,CID646211,,,0.0,,,,,,,,,0.0,,,,,
Cc1cc(C)n(CC(=O)n2nc(C)cc2C)n1,CID658280,,0.0,0.0,,,,,,,,,,,,,,
Cc1nn(C(=O)Cn2cc([N+](=O)[O-])cn2)c(C)c1Cl,CID1258011,,,,,,,,,,,,,,,0.0,,
COC(=O)c1cccc(NC(=O)CSc2nc(O)c(-c3ccccc3)c(=O)[nH]2)c1,CID1310987,,,,,,,,,,,,,,0.0,0.0,,
COC(=O)c1ccccc1NC(=O)CSc1nc(O)c(-c2ccccc2)c(=O)[nH]1,CID2193084,,,,,,,,,,,,,,,0.0,,
Cc1cccc(/C(N)=N/OC(=O)N2CCOCC2)c1,CID9587468,,,,,,,,,,,,0.0,,,0.0,,
N/C(=N\OC(=O)N1CCOCC1)c1ccc(Cl)cc1,CID9581142,,,,,,,,,,,,,,,0.0,,
Cc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCc2ccco2)Cc2ccc3c(c2)OCO3)cc1,CID650616,,,,,0.0,,,0.0,,0.0,0.0,,0.0,,,,
O=C(CN(Cc1ccc2c(c1)OCO2)C(=O)CNS(=O)(=O)c1ccccc1)NCc1ccco1,CID651830,,,0.0,,0.0,,0.0,,,,0.0,,,,,,
CC(=O)Nc1nc2c(c3c1c(=O)oc1ccccc13)CCCCC2,CID977324,,,,,,,,,,0.0,0.0,,,,0.0,,
Nc1nc2c(c3c1c(=O)oc1ccccc13)CCCCC2,CID702168,,,,,,,0.0,,,,,,,,,,0.0
CC(C)(C)c1cc(C(=O)NCc2ccccc2)ccn1,CID826934,,0.0,,0.0,0.0,,,,,0.0,,,0.0,,,0.0,
CC(NC(=O)c1ccnc(C(C)(C)C)c1)c1ccccc1,CID2956884,0.0,,,0.0,0.0,,,,,,,,,,,,
O=C(CN1CCc2ccccc21)Nc1ccc2c(c1)OCO2,CID2064203,,,,,,,,0.0,,,,0.0,0.0,,,,0.0
CC1Cc2ccccc2N1CC(=O)Nc1ccc2c(c1)OC(F)(F)O2,CID4016486,,,,,,,,,,,,0.0,,,,,
Cc1ccc(S(=O)(=O)NC2OC(=O)C(Cl)=C2Cl)cc1,CID2837494,,,,,,,0.0,,,,,,,,,,
Cc1ccccc1S(=O)(=O)NC1OC(=O)C(Cl)=C1Cl,CID3236115,,,,,,,0.0,,,,,,,0.0,,,
c1ccc(-c2cn(-c3ccccc3)nc2-c2ccccc2)cc1,CID555882,,,,,,0.0,,,,,,,,,,,
COc1ccc(-c2nn(-c3ccccc3)c(N)c2-c2ccccc2)cc1OC,CID1120123,,,,,,0.0,,,,,,,,,,,
Cc1noc(C)c1COC(=O)CCOc1ccccc1,CID2087378,,,0.0,,,,,,0.0,0.0,,,0.0,0.0,0.0,0.0,
COc1ccc(OCCC(=O)OCc2c(C)noc2C)cc1,CID2436158,,,,,,,,,,,,,,0.0,,,
COc1cc2c(cc1NC(=O)c1ccncc1)oc1ccccc12,CID2684593,,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccncc1,CID2833465,0.0,,,,0.0,0.0,,,,0.0,,,0.0,0.0,,0.0,0.0
Cc1[nH]c(N2CCc3ccccc3C2)nc(=O)c1CCC(C)C,CID943541,,0.0,,,0.0,0.0,,0.0,,,,,,,,0.0,
CCCCCc1c(C)[nH]c(N2CCc3ccccc3C2)nc1=O,CID1986769,,,0.0,,,,,,,,,0.0,,,,0.0,
CC(C)c1nc2n[nH]c(N)c2c2c1CSC(C)(C)C2,CID913294,,,,,,,,,,0.0,,,,,,,
CCc1nc2n[nH]c(N)c2c2c1CSC(C)(C)C2,CID658684,,0.0,,,,,,,,,,,,,,,
Cn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nnc1C1COc2ccccc2O1,CID2999837,,,,0.0,0.0,,,,,,,,0.0,,,,0.0
C=CCn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nnc1C1COc2ccccc2O1,CID2999299,0.0,,,0.0,0.0,,,,,,0.0,,,,,,0.0
COc1cc(SC)ccc1C(=O)OC1CCOC1=O,CID2999836,,,,,,,0.0,0.0,0.0,,,0.0,0.0,,,,
CC(=O)Nc1ccc(C(=O)OC2CCOC2=O)cc1,CID2999079,,,,,,,,0.0,,,0.0,,,,,0.0,0.0
Cc1ccc2c(CC(=O)NC3=NCCS3)coc2c1,CID2999834,,,,0.0,0.0,,0.0,,,,,,0.0,,,,
Cc1cc2occ(CC(=O)NC3=NCCS3)c2cc1C(C)C,CID2114647,,,,,0.0,,0.0,,,,,0.0,,,,,
CCCCOCC1CN(c2ccccc2)C(=O)CS1,CID2953171,,,0.0,,,,0.0,,,,,,,,,,0.0
CC1CN(c2ccccc2)C(=O)CS1,CID2952867,,0.0,,,,,,,,,0.0,,0.0,,,,
CC1=Nn2c(nnc2-c2ccco2)SC1,CID662524,,0.0,0.0,0.0,,,,,,,0.0,,,,,0.0,
CC(C)(C)C1=Nn2c(nnc2-c2ccco2)SC1,CID662333,,0.0,,,,0.0,,,0.0,,,,,,,,0.0
Cn1ncc2cc(NC(=S)NC(=O)c3ccccc3)ccc21,CID2768035,,,,,,,,,,,,,,,0.0,,
Cc1cc2[nH]ncc2cc1NC(=S)NC(=O)c1ccccc1,CID1482591,,,,,,,,,,,,0.0,,,,,
CC(=O)c1ccc(Oc2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1,CID2058807,,,,,,,,,,,,,,0.0,,,
O=Cc1ccc(Oc2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1,CID1082031,,,,,,,,,,,,,,0.0,,,
CN(CC(=O)N1CCc2ccccc21)S(=O)(=O)c1cccs1,CID3245390,,0.0,,,,0.0,,,,0.0,,,,,,,0.0
CN(CC(=O)N1CCc2ccccc21)S(=O)(=O)c1ccc(Br)s1,CID3238258,,,,,,,,,,,,,,,,0.0,
Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)N1CC(=O)Nc2ccccc21,CID2999390,0.0,,0.0,,,,0.0,,0.0,,0.0,0.0,,,,,
Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)N1c2ccccc2NC(=O)C1(C)C,CID2553847,,,,,,0.0,,,0.0,,,0.0,,,,,
Cc1cc2cc(CNC(=O)c3ccc4c(c3)OCO4)ccc2[nH]1,CID3245398,0.0,,,,,,0.0,,0.0,,,,,,,,
Cc1cc2cc(CNC(=O)c3ccc4c(c3)OCO4)ccc2n1C,CID3242977,,0.0,,,0.0,,,0.0,0.0,,,,,,,,0.0
CCC1CCCCN1C(=O)CSc1nc(=O)c(NC(=O)c2ccc(OC)c(OC)c2)c(N)[nH]1,CID4248935,,,,0.0,0.0,,,,,,,,,,,,
COc1ccc(C(=O)Nc2c(N)[nH]c(SCC(=O)N3CCC(C)CC3)nc2=O)cc1OC,CID4119256,,,,,0.0,,,,,,,,0.0,,,,
CCc1ccc(OCCNC(=O)c2cccs2)cc1,CID2174511,,,,,,,,,,0.0,,,,,,,
COc1ccccc1OCCNC(=O)c1cccs1,CID2266004,,,0.0,0.0,0.0,,0.0,,,,,,0.0,0.0,,,
Cc1cc2ccccc2c(=O)n1CC(=O)NCC1COc2ccccc2O1,CID3245538,,0.0,,,0.0,0.0,,0.0,,,0.0,,,,,,
O=C(Cn1ccc2ccccc2c1=O)NCC1COc2ccccc2O1,CID5085787,,,,,,,,,,,,0.0,,,,,
Cc1cccc(-n2nnc(C(=O)Nc3ccc(F)cc3)c2N)c1,CID3245537,,0.0,,,,,,,,,,,,0.0,,,
Cc1ccc(NC(=O)c2nnn(-c3cc(C)cc(C)c3)c2N)cc1,CID3243127,0.0,,0.0,,,,,,,,,,,0.0,,0.0,
C=CCn1c(-c2cccn(Cc3cccc(Cl)c3)c2=O)n[nH]c1=S,CID1473304,,,,,,,,,,,,0.0,,,0.0,,
C=CCn1c(-c2cccn(Cc3ccc(Cl)cc3)c2=O)n[nH]c1=S,CID2766629,,,,,,,,,,,,0.0,,,,,
Cc1nc2nc(C)c(CCC(=O)N3CCC4(CC3)OCCO4)c(C)n2n1,CID3245533,,,0.0,,,,,,,,,,,,0.0,,
Cc1nc2ncnn2c(C)c1CCC(=O)N1CCC2(CC1)OCCO2,CID3242884,,,0.0,,,,,,,,,,,,,,
COc1ccccc1CN1CC(C(=O)NCC2CCCO2)CC1=O,CID3245530,,,0.0,0.0,,,,0.0,,,,,,,,,
COc1ccc(CN2CC(C(=O)NCC3CCCO3)CC2=O)cc1,CID3690580,,,,,,0.0,,,,,,,,,,,
COc1ccccc1NC(=O)Nc1ccc2c(c1)nc(C)n2C,CID893836,,,,,,,,,,,,,,,0.0,,
CC(=O)c1ccc(NC(=O)Nc2ccc3c(c2)nc(C)n3C)cc1,CID893353,,,,,,,,,,,,,,,0.0,,
CNc1nc(OCC(F)(F)F)nc(N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)n1,CID601231,,,,,,,,,0.0,,,,,,,,
OCCNc1nc(OCC(F)(F)F)nc(N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)n1,CID3241759,0.0,,,,,,,,,,,,,,,,
CCOC(=O)C1(CC2CC2)CCN(Cc2ccc(C(=O)OC)cc2)CC1,CID16192414,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C1(CC2CC2)CCN(Cc2cc(Cl)c(O)c(OC)c2)CC1,CID16189613,,,,,,,,,,,,,,,0.0,,
Cc1cc2ncn(-c3ncnc4scc(-c5ccccc5)c34)c2cc1C,CID1190256,,,,,,0.0,,,,,,,,,,,
c1ccc(-c2csc3ncnc(-n4cnc5ccccc54)c23)cc1,CID704132,,,,,,0.0,,,,,,,,,,,
O=C(CSCc1c[nH]c(=O)[nH]c1=O)OCC(=O)c1ccc(Br)cc1,CID2289770,,,,,,,,,,,,,,0.0,,,
Cc1[nH]c(=O)[nH]c(=O)c1CSCC(=O)OCC(=O)c1ccc(Br)cc1,CID2288744,,,,,,,,,,,,,,0.0,,,
O=C(Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)c1ccco1,CID705654,,,,,,,,,,,,,,0.0,,,
O=C(Oc1ccc2c3c(c(=O)oc2c1)CCCC3)c1ccco1,CID2235946,0.0,,0.0,,,,0.0,,0.0,,,,,0.0,,0.0,
O=C(CSc1ncnc2c1oc1ccccc12)NCc1ccco1,CID664905,,0.0,0.0,0.0,0.0,0.0,0.0,,0.0,,,,0.0,,,0.0,
Cc1nc(SCC(=O)NCc2ccco2)c2oc3ccccc3c2n1,CID664217,,0.0,,,0.0,,0.0,,0.0,,0.0,,,,,,
CC(C)Cn1cc(C(=O)NCc2cccs2)c2c3ccccc3n(C)c2c1=O,CID3240856,0.0,,,,,,,,,,,0.0,0.0,,,,
COCCn1cc(C(=O)NCc2cccs2)c2c3ccccc3n(C)c2c1=O,CID3243483,,,0.0,,,0.0,,,0.0,,,,,,,0.0,
Cn1c(-c2ccccc2)cc(-c2ccccc2)nc1=O,CID576570,,,,,,,,,,,,,,,0.0,,
O=c1nc(-c2ccccc2)cc(-c2ccccc2)[nH]1,CID619028,0.0,,,0.0,,,,0.0,,0.0,,,0.0,,,0.0,
CC1(C)OC(C(=O)NC2CCCCC2)C(C(=O)NC2CCCCC2)O1,CID597837,,,,,,,,,,,,,0.0,,,,
CC(C)(C)C1(C)OC(C(=O)NC2CCCCC2)C(C(=O)NC2CCCCC2)O1,CID4278529,,,,,,,,,,,,0.0,,,,,
COc1ccc(/C(N)=N/OC(=O)CSc2ccc(C)cc2)cc1,CID5906485,,,,,,0.0,,,,,,,,,,,
COc1ccc(/C(N)=N/OC(=O)CSc2ccc(C)cc2)cc1OC,CID9551593,,,,,,,,,,,,,,,0.0,,
COc1ccc(N2CCN(C(=O)/C=C/c3ccco3)CC2)cc1,CID963834,,,,,,,,,,,,,,0.0,,,
Cc1cccc(N2CCN(C(=O)/C=C/c3ccco3)CC2)c1C,CID898569,,,,,,,,,,,,,,,0.0,,
Cc1cccc2cc(C(c3nnnn3CC3CCCO3)N3CCCC4(CCCCC4)C3)c(=O)[nH]c12,CID651904,,,,,,,,,,,,,0.0,,,,
Cc1ccc2cc(C(c3nnnn3CC3CCCO3)N3CCCC4(CCCCC4)C3)c(=O)[nH]c2c1,CID648932,,,0.0,,,,0.0,,,,,,,,,,
O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Br)o1,CID2867617,,,,,,,,,0.0,,,0.0,,,,0.0,0.0
O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccco1,CID703111,0.0,,0.0,,,0.0,0.0,0.0,,,,0.0,,,,,
CCN1CCN(C(c2cc3cccc(C)c3[nH]c2=O)c2nnnn2Cc2ccccc2)CC1,CID647943,,,0.0,,,,,,,0.0,0.0,,,,,,
Cc1cccc2cc(C(c3nnnn3Cc3ccccc3)N3CCN(C)CC3)c(=O)[nH]c12,CID647547,,0.0,,,,,,,,0.0,0.0,,,,,0.0,
COc1ccc(NC(=O)c2cc(-c3cccnc3)nc3c(C)c(C)ccc23)c(OC)c1,CID1257113,,,,,,,,,,,,0.0,,,,,
COc1ccc(NC(=O)c2cc(-c3cccnc3)nc3ccc(C)cc23)cc1OC,CID1261752,,,,,,0.0,,,,,,0.0,,,,,
CCc1nnc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCOC)s1,CID3177940,,,,,,,,,,,,,,0.0,,,
CCCCn1c(SCC(=O)Nc2nnc(CC)s2)nc2ccccc2c1=O,CID648743,0.0,0.0,,0.0,,,0.0,,,,,,,,,0.0,
COCCn1nnnc1C(c1cccs1)N1CCN(c2nc3ccccc3s2)CC1,CID655073,0.0,0.0,,,,,0.0,,,,0.0,,,,,0.0,0.0
CCC(C)(C)n1nnnc1C(c1cccs1)N1CCN(c2nc3ccccc3s2)CC1,CID646678,,,,,,0.0,,,,,,,,,,,0.0
CC(=O)Nc1nc(COc2ccccc2)cs1,CID2940526,,,0.0,,0.0,,,0.0,,,,,0.0,,,,0.0
Nc1nc(COc2ccccc2)cs1,CID2050028,,,,,,,,,,,,,,0.0,,,
Cc1cc(Br)ccc1SCC(=O)OCC(=O)N1CCN(C(=O)c2ccco2)CC1,CID2348017,0.0,,,,,,,,,,0.0,,,,,0.0,
Cc1cc(SCC(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)c(C)cc1Br,CID2335281,,,,,,,,,0.0,,0.0,,,,,0.0,0.0
Cc1cc(C(=O)NCc2cccs2)c(C)o1,CID1223781,,,,,0.0,,0.0,0.0,,0.0,,,0.0,,,,
Cc1occc1C(=O)NCc1cccs1,CID896042,,,0.0,0.0,0.0,,0.0,0.0,,,,,,0.0,,,0.0
CCOC(=O)N1CCC(c2cc(=O)n3[nH]c(-c4ccccc4)cc3n2)CC1,CID5308620,0.0,0.0,,,,,,,,,,,,,,,
COc1cc(OC)cc(-c2cc3nc(C4CCN(C(=O)OC(C)(C)C)CC4)cc(=O)n3[nH]2)c1,CID9550284,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1NC(C)c1ccccc1,CID663060,,0.0,,,,,,,,0.0,,,,,,,
CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1NCc1ccccc1,CID662954,,0.0,,0.0,,,,0.0,,0.0,,,0.0,0.0,0.0,,
Cc1cc2ncn(C(=O)c3ccco3)c2cc1C,CID701804,,,,,,0.0,,,,,,,,,,,
Nc1nc2ccccc2n1C(=O)c1ccco1,CID1088436,,,,,,,,,,,,,,0.0,,,
COc1ccc(CC(=O)Nc2ccc(OC)c(NC(=O)c3ccco3)c2)cc1,CID2200582,,,,0.0,,,,,0.0,0.0,,,,,0.0,,
COc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1NC(=O)c1ccco1,CID1085301,,0.0,,0.0,,,,,,,,,0.0,,,0.0,0.0
CCC(c1nnnn1C(C)(C)CC)N(CCCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O,CID650517,,,0.0,,,,,,0.0,,,,,,,,
CCC(c1nnnn1C(C)(C)CC)N(CCCO)Cc1cc2cccc(C)c2[nH]c1=O,CID651243,,,,,,,,,,,,,0.0,,,,
Cc1ccc(-n2ncc3c2ncn2nc(-c4ccco4)nc32)c(C)c1,CID664598,,0.0,0.0,,,,,,,,,,,,,,
c1ccc(-n2ncc3c2ncn2nc(-c4ccco4)nc32)cc1,CID664194,,0.0,0.0,0.0,,,,,,,,0.0,,,,,
Cc1ccc(C(=O)C(NC(=O)c2ccco2)Nc2sc3c(c2C(N)=O)CCCC3)cc1,CID2893112,,,,,,,,,,,,0.0,,,,,
N#Cc1c(NC(NC(=O)c2ccco2)C(=O)c2ccccc2)sc2c1CCCC2,CID3106356,,,0.0,,0.0,,0.0,0.0,,,0.0,,,,,,0.0
CC1CCCN(S(=O)(=O)c2cccc(-c3cn4cccnc4n3)c2)C1,CID664590,0.0,0.0,0.0,0.0,,0.0,0.0,,,0.0,0.0,,,,,0.0,
CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3cn4cccnc4n3)c2)CC1,CID2963573,,,0.0,0.0,,,,,,,0.0,,,,,0.0,
O=C(CSc1ncn[nH]1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1,CID664594,,0.0,,,0.0,,,,,,,,0.0,,0.0,,
Cc1ccc(-c2nnc(N3CCN(C(=O)CSc4ncn[nH]4)CC3)c3ccccc23)cc1,CID2952188,,0.0,,0.0,0.0,,,,,,0.0,,,,,0.0,
COc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\c1ccncc1)C2=O,CID1996694,,,,,,,,,,,,,,,0.0,,
O=C(Oc1ccc2c(c1)O/C(=C\c1ccncc1)C2=O)c1ccccc1,CID2012042,,,,,,,,,,,,,,0.0,,,
Cc1cc(C(c2ccc(C)o2)c2ccc(C)o2)c(O)c([N+](=O)[O-])c1,CID2751438,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C(c2ccc(C)o2)c2cccc([N+](=O)[O-])c2O)o1,CID2751436,,,,,,,,,,,,,,0.0,0.0,,
CCn1cc(CNC(=O)CCc2ccc(OC)cc2)cn1,CID3238161,,,0.0,,,,,0.0,,,,,0.0,,,0.0,
COc1ccc(CCC(=O)NCc2cnn(C)c2)cc1,CID1244077,,0.0,,,,,0.0,0.0,0.0,,,0.0,,,,,
O=C(Cc1ccccc1)NN1C(=O)c2ccccc2C1=O,CID809038,,,,,,,,,,,,,,,0.0,,
O=C(Cc1ccc(Cl)cc1)NN1C(=O)c2ccccc2C1=O,CID878414,,,,,,,,,,,,,,0.0,,,
CN(C)c1ccc(NC(=O)Nc2ccc3snnc3c2)cc1,CID647195,,,0.0,,,0.0,0.0,,,,0.0,,,,,0.0,
O=C(Nc1ccccc1)Nc1ccc2snnc2c1,CID1072948,,,,,,,,,0.0,,,,,,,,
Cc1cccc2cc(CN(Cc3ccc(F)cc3)C(=O)N(C)C)c3nnnn3c12,CID647194,,,0.0,,,,,,,,,,,,,,
Cc1ccc2c(c1)cc(CN(Cc1ccccc1)C(=O)N(C)C)c1nnnn12,CID653786,,,,0.0,,,,0.0,,,,,,,,,
CCOC(=O)N1CCN(C(=O)c2c(-c3ccccc3)noc2C)CC1,CID1086964,,,,,,,,,0.0,,,,,,,,
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCN(S(C)(=O)=O)CC1,CID1246572,0.0,,,0.0,,,,,,,,,,,,,0.0
Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc2c(c1)OCO2,CID3242763,,0.0,,,,,0.0,0.0,,,,,,,,,
CCC(C)NC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1c(C)n[nH]c1C,CID5307252,,,,,,0.0,,0.0,,,,0.0,,,,,
CC(C)n1c(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)cc2occc21,CID648085,,,,,,,0.0,,,,,,0.0,,,,
CC(C)C(OC(=O)c1cc2occc2n1C)C(=O)NCc1ccc2c(c1)OCO2,CID655257,,,0.0,,,,0.0,0.0,,,,,0.0,0.0,,,0.0
Cc1sc(NC(=O)CSc2nc(=O)c(C)n[nH]2)c(C#N)c1C,CID648086,,0.0,,,,,,,,,,,,,,0.0,
CCOC(=O)c1c(NC(=O)CSc2nc(=O)c(C)n[nH]2)sc(C)c1C,CID2372438,,,,,,,,,,,,,,0.0,,,
Cc1cccc(-n2nnnc2SCc2csc(-c3ccccc3)n2)c1,CID2088982,0.0,,,,,,,,,0.0,,,0.0,,0.0,0.0,0.0
Cc1ccccc1-n1nnnc1SCc1csc(-c2ccccc2)n1,CID2095542,0.0,,,,,0.0,,,,,,,0.0,,0.0,,0.0
Cc1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc1[N+](=O)[O-],CID1231196,,,,,,0.0,,,,,,,,,,,
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cc2c(ccc3ccccc32)o1,CID1231181,,,,,,0.0,,,,,,,,,,,
CCc1ccc(OCC(=O)OC2CCS(=O)(=O)C2)cc1,CID2999540,,,,,,0.0,,,,,,,,,,0.0,
Cc1ccc(OCC(=O)OC2CCS(=O)(=O)C2)cc1,CID653051,,,0.0,,,,,,0.0,,,,,,,,
O=C(O)Cn1nnnc1-c1ccc(F)cc1,CID972758,,,0.0,,,,,,0.0,,0.0,,,,,,
CCCOn1nnnc1-c1ccccc1,CID2219318,,0.0,0.0,0.0,,,0.0,,,,,,,,,,
CCOC(=O)N1CCN(c2cc3nccnc3cc2F)CC1,CID972752,,0.0,,,,,,,,,0.0,,,,,,
CN1CCN(c2ccc3nccnc3c2)CC1,CID1491639,,,,,,,,,,,,,,,0.0,,
Cc1cc(NC(=O)CSc2nnc(COc3ccccc3)n2Cc2ccco2)no1,CID645137,,,0.0,,,,,0.0,,,,,,,,0.0,0.0
Cc1cc(NC(=O)CSc2nnc(COc3cccc(C)c3C)n2Cc2ccco2)no1,CID650460,0.0,,0.0,,,,,,,,0.0,,,,0.0,0.0,0.0
OC(COCC1CC=CCC1)Cn1cnc2ccccc21,CID645134,,,0.0,,0.0,,,,,0.0,0.0,,,,,,0.0
Cc1nc2ccccc2n1CC(O)COCC1CC=CCC1,CID2877001,,,,,,,,,,0.0,0.0,,,,,,
CC1CCCN(C(=O)Cn2nnc(-c3cccnc3)n2)C1,CID645130,,0.0,,0.0,,,,,,,,,,,,,
CC1CCCCN1C(=O)Cn1nnc(-c2cccnc2)n1,CID646582,,,,0.0,,,,,,,,0.0,,,,0.0,
Cc1cc(C)n(-c2ccc(C(=O)Nc3nnc(C4CC4)s3)cc2)n1,CID2669841,0.0,,,,0.0,,,0.0,,,,,,,,,
Cc1nn(-c2ccc(C(=O)Nc3nnc(C4CC4)s3)cc2)c(C)c1Cl,CID2371835,0.0,,0.0,0.0,0.0,0.0,,,,,0.0,0.0,,,,,0.0
CC(=O)N1CCN(c2nnnn2-c2ccccc2)CC1,CID2549799,,,,,,,,,,0.0,0.0,,,,,,
CCOC(=O)N1CCN(c2nnnn2-c2ccccc2)CC1,CID1253040,,0.0,,0.0,,,,0.0,,,,,0.0,,,,
O=C(O)c1cccc(-n2nnnc2SCc2ccccn2)c1,CID713660,,0.0,,,0.0,,,,,,,,,,,,
Cc1ccc(-n2nnnc2SCc2ccccn2)cc1C,CID713547,,,,,,,,,,,,0.0,,,,,
O=c1/c(=C/c2ccc(O)cc2)sc2n1C(c1ccccc1)C(c1ccccc1)=NN=2,CID3267332,,,,,,0.0,,,,,,,,,,,
COc1cc(/C=c2\sc3n(c2=O)C(c2ccccc2)C(c2ccccc2)=NN=3)ccc1O,CID5016502,,,,,,0.0,,,,,,,,,,,
CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)Cc1ccc(Cl)cc1,CID2224409,0.0,,,,0.0,,,,,0.0,,,,,,,0.0
CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)Cc1ccccc1,CID1082608,,0.0,,,,,,,,,,,,,,0.0,
Cc1c(N(C)C(=O)C23CC4CC(CC(C4)C2)C3)c(=O)n(-c2ccccc2)n1C,CID545029,0.0,0.0,,,0.0,,,,0.0,,,0.0,,,,,
Cc1c(NC(=O)C23CC4CC(CC(C)(C4)C2)C3)c(=O)n(-c2ccccc2)n1C,CID3237151,,,,0.0,0.0,,,,,,,,,,,,0.0
CC1(C)NC(=O)NC2(C)NC(=O)NC(C)(C)C12,CID658324,,,,,,,,,,,,,,,,0.0,
CC1C2C(C)N(C)C(=O)N(C)C2N(C)C(=O)N1C,CID2835542,,,0.0,,,,,0.0,,,,,,,,,
COC(=O)c1ccsc1NC(=O)C1COc2ccccc2O1,CID5310017,,,,,,0.0,,0.0,,,,0.0,,,,,
CCOC(=O)c1c(NC(=O)C2COc3ccccc3O2)sc(C(C)=O)c1C,CID2788293,,,,,,,,,,,,,,,0.0,,
COc1ccc(CC(=O)O/N=C(\N)c2ccccn2)cc1OC,CID5348408,,,,,,0.0,,,,,,,,,,,
N/C(=N\OC(=O)Cc1ccccc1)c1ccccn1,CID9549609,,,,,,,,,0.0,,,,,,,,
CC(=O)N1CCc2cc(S(=O)(=O)NC3CCCc4ccccc43)ccc21,CID3240386,,0.0,,,,,,0.0,,,,0.0,,,,,
O=C(O)CCC(=O)N1CCc2cc(S(=O)(=O)NC3CCCc4ccccc43)ccc21,CID3245505,,,,,,0.0,,,,,,0.0,,,,0.0,
COc1ccc2[nH]c(=O)c(CN(CCc3cccc(C)c3)C(C)=O)cc2c1,CID1459136,,,,,,,,,,,,0.0,,,,,
COc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)C(C)=O)cc2c1,CID1459121,,,,,,0.0,,,0.0,,0.0,0.0,,,,,
CCc1nnc(N/C(O)=C2/C(=O)NC3=C(CCCC3)C2=O)s1,CID5389247,,,,,,,,0.0,,,,,,,,,
CCCc1nnc(N/C(O)=C2/C(=O)NC3=C(CCCC3)C2=O)s1,CID5389250,,0.0,,,,,0.0,,,,0.0,,,,,,
N#Cc1cc(C(=O)c2ccccc2O)cn(-c2nccs2)c1=O,CID2379245,,,,,,,,,,,,,,0.0,,,
N#Cc1cc(C(=O)c2cc(F)ccc2O)cn(-c2nccs2)c1=O,CID2113346,,,,,,,,,,,,,,0.0,,,
O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1cccs1,CID2078425,,,0.0,,0.0,,,,,,,,,,,,
O=C(CCC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)c1cccs1,CID2557449,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1ccc2c(c1)nc(SCC(=O)c1cc3ccccc3o1)n2CC,CID4409736,,,,,,,,,,,0.0,,,,,,
Cc1ccc2nc(SCC(=O)c3cc4ccccc4o3)[nH]c2c1,CID2426291,,,,,,,,,,,,0.0,,,,,
Cn1c(SCC(=O)NCc2ccco2)nnc1-c1cccs1,CID860469,,0.0,0.0,,0.0,,,,0.0,0.0,,,,,,,
CCn1c(SCC(=O)NCc2ccco2)nnc1-c1cccs1,CID832348,0.0,,,,0.0,,0.0,,0.0,,0.0,,,0.0,0.0,,0.0
COc1ccc(C(=O)CSc2n[nH]c(-c3ccco3)n2)cc1,CID715349,0.0,0.0,,0.0,0.0,,,0.0,,,0.0,,,,,0.0,
Cc1ccc(C(=O)CSc2n[nH]c(-c3ccco3)n2)cc1C,CID715335,0.0,,,,0.0,,0.0,,,,0.0,,,0.0,,0.0,
Cc1nc(N)sc1-c1nnc(SCC(=O)Nc2ccccc2C(F)(F)F)n1C,CID2960833,,,,,,,,,,,,0.0,,,,,
C=CCn1c(SCC(=O)Nc2ccc(C(=O)OCC)cc2)nnc1-c1sc(N)nc1C,CID2946750,,,,0.0,,,0.0,,0.0,,,0.0,,,,0.0,0.0
CCCc1ccc(-c2cc(C(=O)N/N=C/c3ccc([N+](=O)[O-])o3)c3ccccc3n2)cc1,CID1764852,,,,,,,,,,,,0.0,,,,,
O=C(N/N=C/c1ccco1)c1cc(-c2cccc(Br)c2)nc2ccccc12,CID1012571,,,,,,,,,,,,,,,0.0,,
Cc1csc(NC(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)n1,CID647720,,0.0,,0.0,0.0,,,,0.0,,0.0,0.0,,,,0.0,
Cc1occc1-c1nnc(SCC(=O)Nc2nccs2)n1Cc1ccco1,CID645882,0.0,,,,0.0,0.0,,,0.0,0.0,0.0,,,,,0.0,
O=C(CCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1cccc(O)c1,CID1973601,,,,,,,,,,,,,,,0.0,,
O=C(CCCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1ccc(O)cc1,CID1416928,,,,,,,,,,,,,,,0.0,,
COc1ccc(/C=N/NC(=O)c2ccc(O)cc2O)cc1CSc1ccccn1,CID12004551,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)N/N=C/c2ccc(OC)c(CSc3ccccn3)c2)cc1,CID1271606,,,,,,,,,,,,,,,0.0,,
CCn1nnnc1NCc1cccn1C,CID667169,,0.0,,0.0,,,0.0,,,,,,,,,,
CCCn1nnnc1NCc1cccn1C,CID666222,,0.0,,0.0,,,0.0,0.0,,,,,,,,,
Cn1c(=O)cc(SCC(=O)NCCCN2CCOCC2)c2ccccc21,CID3244567,,,,,,,,0.0,,,,,,,,0.0,
Cn1c(=O)cc(SCC(=O)NCCCN2CCOCC2)c2ccc(Cl)cc21,CID3245470,0.0,0.0,,,0.0,,,,,,,,,,,,
Cc1cccc(N2CCN(Cc3c(C)n(C)n(-c4ccccc4)c3=O)CC2)c1C,CID1378298,0.0,,,,,,,,,,,,,,,,
Cc1c(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c(=O)n(-c2ccccc2)n1C,CID2523521,0.0,,,,,,0.0,,,,,,,,,,
CCN(CCCNC(=O)COc1cc(=O)n(CC)c2ccccc12)Cc1ccccc1,CID3244562,,,,,,,,0.0,,,,,,,,,0.0
CN(CCCNC(=O)COc1cc(=O)n(C)c2ccccc12)Cc1ccccc1,CID3235938,,,0.0,,0.0,,,,0.0,,,0.0,,,0.0,,
COc1cccc(NC(=O)CSc2nnc(-c3ccoc3C)n2-c2ccccc2)c1,CID1329012,,,,,,0.0,,,,0.0,0.0,,,,,,
COc1ccc(-n2c(SCC(=O)Nc3ccccc3)nnc2-c2ccoc2C)cc1,CID3213608,,,,,,,,,,,0.0,,,,,,
Cc1ccccc1-c1nc2ccccc2c(=O)n1/N=C/c1ccccc1[N+](=O)[O-],CID2201748,,,,,,0.0,,,,,,0.0,,,,,
Cc1ccccc1-c1nc2ccccc2c(=O)n1/N=C/c1ccc([N+](=O)[O-])cc1,CID5343369,,,,,,0.0,,,,,,,,,,,
COc1ccc(C2CC(=O)C3=C(C2)NC(C)=C(C#N)C3c2ccc(N(C)C)cc2)cc1,CID2863460,,0.0,0.0,0.0,0.0,,,,,,0.0,,0.0,,,,
COc1cccc(C2C(C#N)=C(C)NC3=C2C(=O)CC(c2ccccc2)C3)c1OC,CID2863448,,,,,,0.0,,,,,,,,,,,
CC1CCc2nc(NC(=O)Cc3cccs3)sc2C1,CID2945978,,,,,0.0,,,,,0.0,,,,,,,
O=C(Cc1cccs1)Nc1nc2c(s1)CCCC2,CID847035,,,0.0,,0.0,,0.0,,,,,,0.0,,,,
O=C(COC(=O)c1ccccc1)Nc1ccccc1Sc1ccccc1,CID2079709,,,,,,,,,,,,,,0.0,0.0,,
N#CCC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccccc2Sc2ccccc2)cc1,CID2400177,,,,,,,,,,,,,,,0.0,,
CN1CCC(=NNC(=O)C(=O)NC(C)(C)C)CC1,CID2859123,,,,,,,,,,,,0.0,,,,,
CC1(C)CC(=NO)CC(C)(C)N1,CID77832,,,,,,0.0,,0.0,,,,0.0,,,,,
CC1(CCC#N)N=C(SCCC#N)N(c2ccccc2)C1=O,CID647498,,0.0,,0.0,,,,0.0,,,0.0,,,,,0.0,
CC(=O)NC1N=C(C)N(c2ccccc2)C1=O,CID654601,,,,,,0.0,,,0.0,,,,,,,0.0,0.0
Cc1ccc(-c2noc(CSc3nnnn3C3CCCCC3)n2)cc1,CID4638058,0.0,0.0,,,0.0,,,,,,,,,,0.0,,
c1ccc(-c2noc(CSc3nnnn3C3CCCCC3)n2)cc1,CID2927070,0.0,,,0.0,0.0,,,,,,,,0.0,,,0.0,
Cn1c(=O)c2c(nc(NCCNC(=O)c3ccco3)n2Cc2ccc(Cl)cc2Cl)n(C)c1=O,CID664200,0.0,,,,,,,,,,,,,,,,
Cn1c(=O)c2c(nc(NCCNC(=O)c3ccco3)n2Cc2ccccc2Cl)n(C)c1=O,CID653649,,,0.0,,,,0.0,,,,,,,,,,
OC12CCCCC1C(c1ccc3c(c1)OCO3)N(Cc1cccc(F)c1)CC2,CID664206,,,,,,,,,,,,,0.0,,,0.0,
OC12CCCCC1C(c1ccc3c(c1)OCO3)N(Cc1ccccc1F)CC2,CID663599,,,0.0,,,,,,,,,,,,,,0.0
COc1ccc(-n2c(SCC(=O)NCC3CCCO3)nc3ccccc32)cc1,CID4883153,,,,,,0.0,,,,,,,,,,,
O=C(CSc1nc2ccccc2n1-c1ccccc1)NCC1CCCO1,CID2999669,0.0,,0.0,,0.0,,0.0,,,,,0.0,,,,,0.0
COc1cccc(OC)c1-c1nnc(-c2cn(C)c3ccccc23)o1,CID647491,0.0,0.0,0.0,0.0,,,0.0,0.0,0.0,,0.0,0.0,0.0,0.0,,,
Cn1cc(-c2nnc(-c3ccccc3)o2)c2ccccc21,CID860743,,,,,,0.0,,,,,,,,,0.0,,
CCOC(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)Nc3ccccc3)cc21,CID653640,,,,,,,0.0,,0.0,0.0,,0.0,,,,,0.0
CCOC(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)Nc3ccccc3OC)cc21,CID646770,,,,,,,0.0,0.0,0.0,0.0,,,,,,,
O=C(Cn1nnc2ccccc21)OCC(=O)c1ccccc1,CID802044,,,,,,,,,0.0,,,,,0.0,,,
COc1ccc(C(=O)COC(=O)Cn2nnc3ccccc32)cc1Br,CID653067,0.0,,,,,,0.0,,0.0,,0.0,0.0,,,,,
Cc1ccc(F)cc1NC(=O)c1cccc2nccnc12,CID653641,,,,,,,,0.0,,,,0.0,0.0,,,,
Cc1ccccc1NC(=O)c1cccc2nccnc12,CID654153,,,0.0,,,,,,,,,,0.0,0.0,,0.0,
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1C=CC(C(F)(F)F)=NCC1,CID1489170,,,,,,,,,,,,0.0,,,,,
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1C=CC(C(F)(F)Cl)=NCC1,CID1482694,,,,,,,,,,,,0.0,,,,,
CC(=O)Oc1ccc2c(C)cc(=O)oc2c1C(=O)c1ccccc1,CID848802,,,,,,,,,,,,,,,0.0,,
CCOC(=O)COc1ccc2c(C)cc(=O)oc2c1C(=O)c1ccccc1,CID3760251,,,,,,,,,,,,,,,0.0,,
O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccc(F)cc1,CID1189203,,,,,,0.0,,,,,,,,,,,
CN(C)S(=O)(=O)c1ccc(NC(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1,CID4642015,,,,,,,,,,,,0.0,,,,,
CCSc1nc(=O)c2c([nH]1)NC(C)=C(C(=O)OC)C2c1cccnc1,CID3239544,,0.0,,0.0,,,,0.0,,0.0,,,,,,0.0,
CCSc1nc(=O)c2c([nH]1)NC(C)=C(C(=O)OC(C)C)C2c1cccnc1,CID3238052,,,,,,,,0.0,,,,,0.0,,,,
CN(C(=O)c1ccncc1)c1nnc(-c2cnccn2)s1,CID652249,,,0.0,,0.0,,,,,,,,0.0,,0.0,0.0,
Cc1cnc(-c2nnc(N(C)C(=O)c3ccncc3)s2)cn1,CID650618,,0.0,,,0.0,,,,,,,,,,,0.0,
O=C(C1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1)N1CCCCC1,CID652247,,,,,,,,,,,,,,,,,0.0
CC1CCN(C(=O)C2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)CC1,CID2998266,,,0.0,,,,,0.0,,,,,0.0,,,,0.0
O=C(/C=C/c1cccs1)Nc1ccc(Br)cn1,CID2359236,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)nc(NC(=O)/C=C/c2cccs2)c1,CID873549,,,,,,0.0,,,,,,0.0,,,,,
O=C(Nc1ccccn1)c1ccc2ccccc2n1,CID761227,,,0.0,0.0,,0.0,,,,,,0.0,0.0,,0.0,,0.0
Cc1cccc(NC(=O)c2ccc3ccccc3n2)n1,CID761228,,0.0,0.0,0.0,,,,,,,0.0,,0.0,,,,
Cc1ccn(-c2cc(O)c(-n3ccc(C)n3)cc2O)n1,CID737849,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)n(-c2cc(O)c(-n3nc(C)cc3C)cc2O)n1,CID788392,,,,,,,,,,,,,,,0.0,,
Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)C2c2ccc(N(C)C)cc2)cc1,CID1353061,,,,,,0.0,,,,,,,,,,,
Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)C2c2ccc(N(C)C)cc2)cc1,CID2875450,,,,,,,,,,,,0.0,,,,,
COc1ccc(-c2cc(=O)oc3c(C)c(OC(=O)c4cccs4)ccc23)cc1,CID1324553,,,,,,,,,,,,,,0.0,,,
O=C(Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)c1cccs1,CID1121074,,,,,,,,,,,,,,1.0,,,
Cc1ccc2nc(-c3ccccc3)cc(C(=O)NCCCn3ccnc3)c2c1,CID2976019,,,,,,0.0,,,,,,0.0,,,,,
Cc1cccc(-c2cc(C(=O)NCCCn3ccnc3)c3ccccc3n2)c1,CID3533774,,,,,,,,,,,,,,,0.0,,
O=C(Nc1c(C(=O)N2CCCCC2)cnn1-c1ccccc1)c1ccco1,CID1067684,0.0,,,,,,,,,0.0,,,0.0,,,,
NC(=O)C1CCN(C(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccco2)CC1,CID1267978,,0.0,,,,,,,,,,,,,,,
COc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1,CID2898518,,,,,,,,,,,,,,0.0,,,
O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCCC1,CID2899100,,,,,,,,,,,,,,0.0,,,
CC(Oc1ccc(Cl)cc1Cl)C(=O)NC1=NN(c2ccccc2)C(=O)C1,CID2898510,,,,,,,,,,,,0.0,,,,,
O=C(COc1ccc(Cl)cc1)NC1=NN(c2ccccc2)C(=O)C1,CID701783,,,,,,,,,,,,,,0.0,,,
C=CCn1c(C)cc(C(=O)CSc2n[nH]c(N)n2)c1C,CID2407275,,,,,,,,,,0.0,,,,,,,
COCCn1c(C)cc(C(=O)CSc2n[nH]c(N)n2)c1C,CID2200186,,,,,,,,0.0,,0.0,,,0.0,,,,
Cc1ccc(CN2CCN(Cc3cccc4c3OCO4)CC2CCO)cc1,CID16187244,,,,,,,,,,,,,,0.0,,,
OCCC1CN(Cc2cccc3c2OCO3)CCN1Cc1ccccc1,CID16187318,,,,,,,,,,,,,,0.0,,,
COc1ccccc1NC1=C(C)C(=O)CC1,CID788466,,,,,,,,0.0,,0.0,,,0.0,,,,
COc1ccc(NC2=C(C)C(=O)CC2)cc1,CID788465,,,,0.0,,,,,,0.0,,,,,,,
Cc1ccc(Oc2ccc(Oc3ccc(C)cc3)nn2)cc1,CID6408790,,,,,,,,,0.0,,,,,,,,
Cc1ccccc1Oc1ccc(Oc2ccccc2C)nn1,CID2999999,0.0,,,,,0.0,0.0,,0.0,,,,,,,,0.0
CC1=C(NCCc2ccccc2)CCC1=O,CID788462,,,,0.0,,,0.0,,,,,,,,,,
CC(=O)C1=C(NCCc2ccccc2)CCC1=O,CID788497,,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1cc2sc(C)cc2n1CC(=O)Nc1ccc2c(c1)OCCO2,CID646127,,,0.0,,,,,,,,,,,0.0,,,
CCOC(=O)c1cc2sccc2n1CC(=O)Nc1ccc2c(c1)OCCO2,CID651074,,,0.0,0.0,,,,0.0,,,,0.0,,,,,
CSc1ccc(C(=S)N2CCN(Cc3ccccc3)CC2)cc1,CID971920,,,,,,0.0,,,,,,,,,,,
Oc1cccc(C(=S)N2CCN(Cc3ccccc3)CC2)c1,CID2204910,,,,,,,,,,,0.0,,,,0.0,,
O=C(N1CCN(CCO)CC1)N1c2ccccc2C=Cc2ccccc21,CID657575,,,0.0,,,0.0,,,,,,,,,,,
CN1CCN(C(=O)N2c3ccccc3C=Cc3ccccc32)CC1,CID750253,,,,,,0.0,,,,,,,,,,,
COc1ccc(C)cc1NS(=O)(=O)c1cccc2nonc12,CID3238080,,0.0,,,,,0.0,,,,,,,,,0.0,
Cc1ccc(N(CC(=O)O)S(=O)(=O)c2cccc3nonc23)cc1,CID3238721,,,,0.0,,,0.0,,,,,0.0,,,,,
Cn1c(=O)cc(SCC(=O)NCc2ccco2)c2ccccc21,CID3243356,0.0,0.0,,,0.0,,,,,,,,,,,,0.0
CCn1c(=O)cc(SCC(=O)NCc2ccco2)c2ccccc21,CID3237964,0.0,,0.0,0.0,0.0,0.0,0.0,,,,,0.0,,,,,0.0
N#Cc1c(SCC(N)=O)nsc1SCc1ccccc1Cl,CID1821543,,,,,0.0,,,,0.0,,,0.0,,,,,
N#Cc1c(SCC(N)=O)nsc1SCc1ccc(Cl)cc1,CID658115,,,,,0.0,,,,0.0,,,,,,,,
O=S(=O)(c1ccc(Cl)c2ccccc12)N1CCCC1,CID1085519,,,,,,,,,,,,,,0.0,,,
O=S(=O)(c1cccc2cccc(Cl)c12)N1CCCC1,CID621330,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC2=NC(=S)N(CC#N)C23CCCCC3)cc1,CID828360,,,,,,,,,,,0.0,,,,,,
CC(C)(C)C1CCC2(CC1)C(Nc1cccc(C(F)(F)F)c1)=NC(=S)N2CC#N,CID1210267,,,,,,,,,,0.0,,,,,,,
CC1=C(C(=O)Nc2ccccc2C)C(c2cccnc2)N2NC(CCCO)=NC2=N1,CID5738776,,0.0,,,,,,,,,,,,,,,0.0
COc1ccccc1NC(=O)C1=C(C)N=C2N=C(CCCO)NN2C1c1cccnc1,CID5738882,,,0.0,,,,,,,,,,,,,,
COc1ccccc1OCCOc1ccccc1/C=N/n1cnnc1,CID2226105,,0.0,0.0,,,,0.0,,,,,,,,,,
C(=N/n1cnnc1)\c1ccccc1OCCOc1ccccc1,CID2184379,,,0.0,,,,,0.0,,,,,,,,,0.0
CC1=CC(C)(C)NC(=S)N1c1ccccc1,CID768560,,,,,,,,,,,,,,,0.0,,
CC1=CC(C)(C)NC(=S)N1c1ccc(C)cc1,CID704292,,,,,,,,,0.0,,,,,,,,
O=S(=O)(NCc1ccco1)c1ccc(S(=O)(=O)N2CCCCC2)cc1,CID1166892,,,,,,,,,0.0,0.0,0.0,,,0.0,,,
CC1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)CC1,CID1167001,,,,,,,,,0.0,,0.0,,,0.0,,,
Cc1cc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)no1,CID4094173,,0.0,,,0.0,,,0.0,,,,0.0,0.0,,,0.0,
Cc1cc(NC(=O)c2cc(-c3ccc(C)s3)nc3ccccc23)no1,CID2059829,,,,,,,,,,,,,,0.0,,,
Cc1nc2c(C(=O)NCc3ccccc3)c[nH]n2c(=O)c1Cl,CID3242087,,0.0,,,,,,,,,,,,,,0.0,0.0
Cc1nc2c(C(=O)NCc3ccc(F)cc3)c[nH]n2c(=O)c1Cl,CID3239949,,0.0,,,,,0.0,,,,,,,,,0.0,
Cc1ccccc1-c1nc(CN2CCC(C(=O)NCC3CCCO3)CC2)c(C)o1,CID3242083,0.0,,,0.0,,0.0,,0.0,,,,,,,,,0.0
Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC(C(=O)NCC2CCCO2)CC1,CID3238084,0.0,,,,,0.0,,,,,,,0.0,,,0.0,0.0
O=C(NC(=O)N1CCN(c2ccccc2F)CC1)c1ccccc1,CID1540551,,,,0.0,,,,,,,,0.0,,,,,0.0
O=C(NC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1,CID701191,0.0,0.0,0.0,,,,,0.0,,,,,,,,0.0,
CCCS(=O)(=O)N1CCCC(C(=O)N2CCN(C(=O)OCC)CC2)C1,CID3245768,,,,,,,,,,,,,,,0.0,,
CCOC(=O)N1CCN(C(=O)C2CCCN(S(C)(=O)=O)C2)CC1,CID2990891,,,0.0,,,,0.0,,,0.0,,0.0,,,,,0.0
CCOC(=O)CSC1=Nc2ccccc2C2=NC(CC(=O)NCc3cccs3)C(=O)N12,CID3245769,,,,,,,,,,,0.0,,,,,0.0,
NC(=O)CSC1=Nc2ccccc2C2=NC(CC(=O)NCc3cccs3)C(=O)N12,CID3243789,,,,,,,0.0,,,0.0,,,,,,,
Cc1ccnc(NC(=O)CSc2cc(=O)n(C)c3ccccc23)c1,CID3244018,0.0,0.0,,,0.0,,,,,,,,,,,0.0,0.0
Cn1c(=O)cc(SCC(=O)Nc2ccccn2)c2ccccc21,CID3242521,0.0,0.0,,,0.0,,,,0.0,,,,,,,0.0,0.0
O=C1Nc2ccccc2C12NCCc1c2[nH]c2ccccc12,CID3159878,,,,,,,,,,0.0,,,,,,,
CN1C(=O)C2(NCCc3c2[nH]c2ccccc32)c2ccccc21,CID667055,,,,0.0,,,,0.0,,,,,,,,0.0,
CC1CN(C(=O)C2CCCN2S(=O)(=O)c2ccc(Cl)cc2)CC(C)O1,CID2998548,,,,,0.0,,,,,,,,,,,,
O=C(C1CCCN1S(=O)(=O)c1ccc(Cl)cc1)N1CCOCC1,CID2936597,,,,,,,,,,,,,0.0,,,,0.0
Cc1cnc(C)c(N2CCC(C(=O)NC(C)c3cccs3)CC2)n1,CID646756,0.0,,,,,0.0,0.0,0.0,,,,,,,,0.0,
Cc1cnc(C)c(N2CCC(C(=O)NCc3cccs3)CC2)n1,CID650098,0.0,0.0,,,0.0,,,,,,0.0,,,,0.0,,
CCOC(=O)c1ccc(N2Cc3ccccc3C2=N)cc1,CID745713,,,,,,,,,,,,0.0,,,,,
C/N=C1\c2ccccc2CN1c1cccc(C(=O)OC)c1,CID660618,,0.0,,0.0,0.0,0.0,0.0,,,0.0,,,,,,,
CCOC(=O)c1c(NC(=O)CSc2nnc(-c3cccnc3)o2)sc(C(C)=O)c1C,CID646751,,0.0,,,0.0,0.0,,,,,,,0.0,,,,0.0
CCOC(=O)c1c(NC(=O)CSc2nnc(-c3cccnc3)o2)sc(C)c1C,CID2222016,0.0,0.0,0.0,0.0,0.0,,0.0,,0.0,,0.0,,0.0,0.0,,0.0,0.0
CCOC(=O)N1CCN(c2c(NCCc3ccc(OC)c(OC)c3)c(=O)c2=O)CC1,CID5307853,,,0.0,,,,,0.0,,,,,,,,,0.0
CCOC(=O)N1CCN(c2c(NCCc3ccc(OCC)c(OCC)c3)c(=O)c2=O)CC1,CID3239092,,,,0.0,,,,,0.0,,,,,,,,0.0
Cc1cc(C)c(C#N)c(SCC(=O)N(C)C2CCCCC2)n1,CID645496,0.0,,,,,0.0,0.0,0.0,,,,,0.0,,,0.0,0.0
CC1CCCC(NC(=O)CSc2ncccc2C(=O)O)C1C,CID2997855,,,,,,,,,0.0,,,,,,,,
Cc1ccc(CN(C(=O)Cn2nnc3ccccc32)C(C(=O)NCc2ccco2)c2cccs2)cc1,CID645492,0.0,,0.0,,,,,0.0,0.0,0.0,,,,,,0.0,
O=C(NCc1ccco1)C(c1cccs1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21,CID654498,0.0,,,0.0,,,,,,,,,,,,0.0,0.0
Cn1c(SCC(=O)NNC(=O)Cc2ccccc2)nnc1-c1ccccc1,CID1092256,,,,,,,,,,,,,,,0.0,,
Cn1c(SCC(=O)NNC(=O)Cc2ccccc2)nnc1-c1ccc(Cl)cc1,CID1373575,,,,,,,,,,,,0.0,,,,,
CC(C)NC(=O)CSc1nc(-c2cccs2)cc(-c2ccccc2)c1C#N,CID1002423,,,,,,,,,,0.0,,,,,0.0,,
COc1ccc(-c2cc(-c3cccs3)nc(OC)c2C#N)cc1OC,CID1315772,,,,,,,,,,,,,,0.0,,,
CCN(CC)c1ncnc2sc(C(=O)N3CCN(c4ccccc4)CC3)c(C)c12,CID3240646,0.0,,,0.0,,,,,,,,,,,,0.0,
CCN(CC)c1ncnc2sc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c(C)c12,CID3241237,0.0,,,,,,0.0,,,,,,,,,,
O=C(Nc1nnc(-c2ccccc2Cl)s1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1,CID3153712,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(-c4ccc(F)cc4)s3)CC2)cc1,CID3192952,,,,,,,,,,,,,,0.0,,,
O=C(/C=C/c1ccco1)NC(=S)Nc1nc(-c2ccc(Cl)cc2)cs1,CID1346546,,,,,,,,,,,,,,0.0,,,
Cc1ccc(-c2csc(NC(=S)NC(=O)/C=C/c3ccco3)n2)cc1,CID1299088,,,,,,0.0,,,,,,,,0.0,,,
O=C(/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1)NCc1cccc(Cl)c1,CID2426137,,,,,,,,,,,,,,,0.0,,
COc1ccccc1CNC(=O)/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1,CID2414723,,,,,,,,,,,,,,,0.0,,
COc1ccc(CCNC(=O)C(=O)NCC2CCCO2)cc1OC,CID2883835,,,,,,,,,0.0,,,,,,,,
O=C(NCCc1ccccc1)C(=O)NCC1CCCO1,CID551498,,,,,,,,,,0.0,,,,,,,
Cc1ccnc(N(C(=O)c2cccs2)C(=O)c2cccs2)c1,CID885495,,0.0,,0.0,0.0,,,,0.0,,,,,0.0,,,
O=C(c1cccs1)N(C(=O)c1cccs1)c1ccccn1,CID574188,0.0,0.0,0.0,0.0,0.0,0.0,0.0,,0.0,0.0,0.0,,,0.0,,,
CN(C)c1ccc(NC(=S)c2ccccn2)cc1,CID801271,,0.0,,0.0,,,,,,,,,,,,,0.0
Cc1ccc(C)c(NC(=S)c2ccccn2)c1,CID802888,,,,,,,,,,,,,,,0.0,,
O=C(C(Sc1ccccc1)c1ccccc1)N1CCOCC1,CID2886349,,,,,,,,,,,,,,0.0,,,
O=C(C(Sc1ccccc1)c1ccc(Br)cc1)N1CCOCC1,CID4658214,,,,,,,,,,,,,,0.0,,,
O=C(Nc1ccc2c(c1)CCC2)c1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1Cl,CID2479051,,,,,,,,,,,,0.0,,,,,
O=C(Nc1ccc2c(c1)CCC2)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1,CID2093176,,,,,,,,,,,0.0,0.0,,,,,
Cc1ccc(-n2nc(C)c3c(-c4cccs4)c(C#N)c(N)nc32)cc1,CID666154,,,0.0,0.0,,,0.0,0.0,,,,,0.0,,,0.0,
Cc1nn(-c2ccc(F)cc2)c2nc(N)c(C#N)c(-c3cccs3)c12,CID666603,0.0,0.0,0.0,,,,,0.0,,,,,,,,0.0,
COc1ccc(/C=C(/C(=O)Nc2ccccc2C(=O)NC(C)C)c2ccccc2)cc1,CID1312447,,,,,,,,,,,,0.0,,,,,
COc1cccc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)c1,CID718308,,,,,,0.0,,,,,,,,,,,
COC(C(=O)NNC(=O)CCc1ccccc1)c1ccccc1,CID3139319,,,,,,,,,,,,,,0.0,,,
COc1ccc(CC(=O)NNC(=O)CCc2ccccc2)cc1,CID730610,,,,,,,,,,,,,,,0.0,,
O=S(=O)(Cc1ccccc1)c1cnc2ccccc2n1,CID3585815,,,,,,,,,,,0.0,,,,,,
Cc1ccccc1CS(=O)(=O)c1cnc2ccccc2n1,CID5163693,,,,,,,,,,,,0.0,,,,,
FC(F)(F)c1cccc(-c2noc(CN3CCOCC3)n2)c1,CID2768450,,,,,,,,,0.0,,,,,,,,
COc1ccc(-c2noc(CN3CCOCC3)n2)cc1OC,CID1259383,,,0.0,,,,,,,,,0.0,,,,,
Cc1cc(C)n(-c2nc3ccccc3nc2Nc2ccc3[nH]c(=O)[nH]c3c2)n1,CID1250673,,0.0,,0.0,,,,,0.0,,,,,,,0.0,
Cc1ccc2nc(Nc3ccc4[nH]c(=O)[nH]c4c3)c(-n3nc(C)cc3C)nc2c1,CID1253520,,0.0,,,,,0.0,,,,,,,,,,
COC(=O)CSc1nnc(CNS(=O)(=O)c2ccc(C)cc2)n1C,CID653183,0.0,0.0,,0.0,0.0,0.0,,,,,,,0.0,0.0,,,
COC(=O)CSc1nnc(CNS(=O)(=O)c2ccc(Cl)cc2)n1C,CID1476080,,,,,,,,,0.0,,,0.0,,,,,
Cc1cc(C)nc(SCc2nnc(SCC(=O)Nc3ncc(C)s3)n2Cc2ccco2)n1,CID648215,,,,,0.0,,,,,,,0.0,,,,,0.0
Cc1cc(C)nc(SCc2nnc(SCC(=O)Nc3nccs3)n2Cc2ccco2)n1,CID654920,,,,0.0,0.0,,,,,,,,,,,,
COc1ccccc1N(CC(=O)NC(C)(C)C)C(=O)Cn1nnc(-c2ccc(C)o2)n1,CID648211,0.0,0.0,,0.0,,,,,,0.0,,0.0,0.0,,,,
CCOc1ccccc1N(CC(=O)NC(C)(C)C)C(=O)Cn1nnc(-c2ccc(C)o2)n1,CID647676,0.0,,,,,,,,,0.0,0.0,,0.0,,,0.0,0.0
NC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1CC1CCCO1,CID648210,,0.0,0.0,0.0,,0.0,,,0.0,,,0.0,,,,0.0,0.0
CC(C)NC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1CC1CCCO1,CID648872,,,,,,,,,,,,0.0,,,,,0.0
COC(=O)c1cccc(NC(=O)CSc2nnc(COc3ccc(C#N)cc3)n2-c2ccccc2)c1,CID648213,0.0,,,,,,,,,,,,,,,0.0,0.0
Cc1ccc(NC(=O)CSc2nnc(COc3ccc(C#N)cc3)n2-c2ccccc2)cc1C,CID646514,0.0,,0.0,,,,,,,,,,,,,,
Cc1c(-c2ccccc2)sc(Br)c1C(=O)N1CCOCC1,CID1048505,,,,,,,,,,,0.0,,,,,,
Cc1c(-c2ccccc2)sc(N)c1C(=O)N1CCOCC1,CID2120324,0.0,0.0,,0.0,,,,,,,,,,,,0.0,
CC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)NCc2cccs2)c1C,CID3243313,,,,,,,,,,,,,,,,,0.0
CC(=O)c1cc(-c2ccccc2)n(CC(=O)NCc2cccs2)c1C,CID3242546,0.0,,,,0.0,,,,,,,0.0,,,,,
O=C(NCc1ccc(N2CCCC2=O)cc1)Nc1ccccc1,CID1259714,0.0,,,,,,,0.0,,,,0.0,,,,,
O=C(NCc1ccc(N2CCCC2=O)cc1)Nc1cccc(Cl)c1,CID894197,0.0,,,0.0,,,,,,,,,,,,0.0,0.0
Cn1nnnc1SCC(=O)Nc1ccc(N2CCOCC2)cc1,CID1844826,,0.0,,,0.0,,,,,,0.0,,,,,,
CC(Sc1nnnn1C)C(=O)Nc1ccc(N2CCOCC2)cc1,CID2998542,,0.0,,0.0,0.0,,,,,,0.0,,0.0,,,,
OC1(c2cccc(C(F)(F)F)c2)CCN(c2ncnc3c2[nH]c2ccc(F)cc23)CC1,CID664724,,,,,,,,,,,,,,,,,0.0
OC1(c2cccc(C(F)(F)F)c2)CCN(c2ncnc3c2[nH]c2ccccc23)CC1,CID658534,,,,,0.0,,,,,,,,,,,,
O=C(CCc1ccccc1)Nc1ccc(NC(=O)c2ccco2)nc1,CID649564,,,0.0,,,,,,0.0,,,,,,,,
Cc1cc(NC(=O)c2ccco2)ncc1NC(=O)CCc1ccccc1,CID645020,,,0.0,,,,0.0,,,,,0.0,,,,,0.0
O=C1C=C(NCc2ccco2)CCC1,CID2999754,,,,0.0,,,,0.0,,0.0,,,0.0,,,,
CC1(C)CC(=O)C=C(NCc2ccco2)C1,CID649993,,,,0.0,,,0.0,,,0.0,0.0,0.0,,,,,
CCCN1CCN(CCCNC(=O)C2CCCN(c3nc4ccc(OCC)cc4s3)C2)CC1,CID3239260,,,0.0,0.0,,,,,,,0.0,,,,,0.0,
COc1ccc2nc(N3CCCC(C(=O)NCCCN4CCN(C)CC4)C3)sc2c1,CID3239056,,,0.0,,,,,,,,,,,,,0.0,
CC(NC(=O)c1cc2sccc2n1C)c1ccc2c(c1)OCCO2,CID3239261,0.0,,,0.0,,,,,,,,0.0,,,,,
CCn1c(C(=O)NC(C)c2ccc3c(c2)OCCO3)cc2sccc21,CID5307241,0.0,,,,,,,0.0,,,,,,,,,
O=c1[nH]c2ccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)cc2[nH]c1=O,CID3239262,0.0,,0.0,0.0,0.0,,,,,,,,,,,,0.0
Cn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)ccc21,CID3243248,,,,,,,,,,,,,,,,,0.0
CCn1cc(C2Nc3ccccc3C(=O)N2O)c(C)n1,CID3239266,,,0.0,,,,,,0.0,0.0,,0.0,,,,0.0,
Cc1c(C2Nc3ccccc3C(=O)N2O)cnn1C,CID4103501,,,,,,,,,0.0,,,,,,,,
CC(=O)c1c(OC(=O)c2ccc(C)cc2)c2ccccc2n1C,CID895510,,,,,,,,,,,,,,0.0,,,
CC(=O)c1c(OC(=O)c2ccccc2)c2ccccc2n1C,CID947463,,,,,,0.0,,,,,,,,0.0,,,
CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)C1c1ccco1,CID651256,0.0,,,,0.0,,,0.0,,,0.0,,,,,0.0,
CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)C1c1ccco1,CID657425,0.0,,,0.0,0.0,,,,,,0.0,,,,,,0.0
CCCCc1nnc(SCCSc2nnc(CCCC)n2N)n1N,CID1647590,,,,,,,,,,0.0,,,,0.0,,,
CCCc1nnc(SCCSc2nnc(CCC)n2N)n1N,CID1569645,,0.0,,,,,,,,0.0,0.0,,0.0,,,,
Cc1ccc(CC2SC(=O)NC2=O)cc1Cl,CID649174,,,,,,,,,,,,,,,,,0.0
C=CCN1C(=O)SC(Cc2cccc(OC)c2O)C1=O,CID2766224,,,,,,,,,,,,,,0.0,,,
CSC1=NCCN1C(=O)c1c(-c2ccccc2Cl)noc1C,CID2797974,0.0,,,0.0,0.0,,,,,0.0,0.0,0.0,,,,,0.0
CCSC1=NCCN1C(=O)c1c(-c2ccccc2Cl)noc1C,CID4170459,,,,,,,,,,,,,,,0.0,,
O=C1c2ccccc2C(=O)N1CCC1=CCCCC1,CID572777,,,,,,0.0,,,,0.0,0.0,,,,0.0,,
O=C(O)c1ccc2c(c1)C(=O)N(CCC1=CCCCC1)C2=O,CID3239669,,,,0.0,,,,,,0.0,,,,,,,
Nc1ccc2nn(-c3cccc4ccccc34)nc2c1,CID721129,,0.0,,0.0,,0.0,0.0,,,,,0.0,0.0,,,0.0,
Cc1cc2nn(-c3cccc4ccccc34)nc2cc1N,CID938026,,,,,,,,,,,,0.0,0.0,,,0.0,
O=C(O)c1cc2cccc(S(=O)(=O)N3CCOCC3)c2cc1O,CID659402,,,,,0.0,,0.0,0.0,,0.0,,,,0.0,,,0.0
CN(C)c1cccc2c(S(=O)(=O)N3CCOCC3)cccc12,CID658467,,,,0.0,,,0.0,,,,,0.0,,,,,0.0
COc1ccc(OC)c(-n2c(-c3cnccn3)n[nH]c2=S)c1,CID936570,,,,,,,,,,,0.0,,,,0.0,,
S=c1[nH]nc(-c2cnccn2)n1-c1ccccc1,CID3005521,,,,,,,,,,0.0,,,,,,,
COc1cc(C(=S)N2CCOCC2)ccc1OC(=O)/C=C/c1ccco1,CID1514461,,,,,,,,,,,,,,0.0,0.0,,
O=C(/C=C/c1ccco1)Oc1ccc(C(=S)N2CCOCC2)cc1,CID816391,,,,,,,,,,,,,,0.0,,,
Cc1cccc(Nc2ncccc2C(=O)NCc2cccs2)c1C,CID1441125,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C)c(Nc2ncccc2C(=O)NCc2cccs2)c1,CID3192333,,,,,,,,,,,,,,0.0,0.0,,
O=C(NCCO)c1scc2c1OCCO2,CID3238514,,,,,0.0,,,,,,,,,,,,
CCN(CC)C(=O)c1scc2c1OCCO2,CID718459,,,,0.0,0.0,,0.0,,,,,,,,,,
O=C(CNS(=O)(=O)c1ccc(Br)s1)N1CCC2(CC1)OCCO2,CID3238517,,,,,,,,,0.0,,,,,,,,
O=C(CNS(=O)(=O)c1cccs1)N1CCC2(CC1)OCCO2,CID3241853,,,,,0.0,0.0,0.0,,,0.0,,,,,,,
O=C(CCn1c(=O)c2sccc2n(Cc2cc(=O)n3ccccc3n2)c1=O)NCc1ccco1,CID3238516,,,0.0,,,,,0.0,,,,,,,,0.0,0.0
Cc1cccc2nc(Cn3c(=O)n(CCC(=O)NCc4ccco4)c(=O)c4sccc43)cc(=O)n12,CID3245280,,,0.0,,,,,,,,0.0,,,,,0.0,
O=C(NCC(=O)N(c1ccccc1)C(C(=O)NC1CCCCC1)c1ccncc1)c1ccco1,CID654585,0.0,,0.0,,,,0.0,,,,0.0,,,,,,
COc1cccc(N(C(=O)CNC(=O)c2ccco2)C(C(=O)NC2CCCCC2)c2ccncc2)c1,CID651891,,0.0,0.0,,,0.0,0.0,,,,,0.0,,,,,
Cc1ccc(-n2c(-c3ccncc3)nnc2-c2ccco2)cc1,CID654581,,0.0,,1.0,,,0.0,0.0,,,0.0,,,,,,
c1ccc(-n2c(-c3ccncc3)nnc2-c2ccco2)cc1,CID648830,,0.0,,,,,,,,,,,,,,,
COc1ccc(-c2csc(N(CC3CCCO3)C(=O)c3cccs3)n2)cc1,CID654583,,0.0,,0.0,,,,,0.0,,0.0,,,,,,
O=C(c1cccs1)N(CC1CCCO1)c1nc(-c2ccccc2)cs1,CID646466,0.0,,0.0,,,0.0,0.0,,,,0.0,,,,,,
Cc1ccc2nsnc2c1S(=O)(=O)NCc1cccnc1,CID671551,0.0,,,,0.0,,,,,,0.0,,,,,,
O=S(=O)(NCc1cccnc1)c1cccc2nsnc12,CID659653,0.0,0.0,,0.0,,,0.0,,,0.0,0.0,,,,,,
CCOC(=O)c1cc2c3ccccc3n(CC)c2nc1N,CID878737,,,,,,,0.0,,,,,,0.0,,,,
CCn1c2ccccc2c2cc(C#N)c(N)nc21,CID878500,,,,,,0.0,,,,,,,,,,,
COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2ccc(C)cc2C)cc1,CID1839665,,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2cccc(C)c2C)cc1,CID1941459,,,,,,,,,,,,,,0.0,,,
COC(=O)c1cccc(N(C(=O)c2cnccn2)C(C(=O)NC2CCCCC2)c2cn(C)nc2C)c1,CID3185081,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1ccc(N(C(=O)c2cnccn2)C(C(=O)NC2CCCCC2)c2cn(C)nc2C)cc1,CID3185082,,,,,,,,,,,,0.0,,,,,
COc1ccc(-n2cnc3sc(-c4ccccc4)cc3c2=O)cc1,CID1082772,,,,,,0.0,,,,,,,,,,,
NC(=O)NC(=O)CSc1nc2sc(-c3ccccc3)cc2c(=O)n1-c1ccccc1,CID1632978,,,,,,,,,,,,,,,0.0,,
CC1CSc2nnc(CCc3ccccc3)n21,CID4289750,,,,,,,0.0,,,,,,,,,,
CC1Cn2c(CCc3ccccc3)nnc2S1,CID2973202,,,,,,,,,,,,,0.0,,,0.0,0.0
CC12CC3CC(C)(C1)CC(C(=O)Nc1nn[nH]n1)(C3)C2,CID2852940,,0.0,,0.0,,,,,,,,,0.0,,,,
CCC12CC3CC(C1)CC(C(=O)Nc1nn[nH]n1)(C3)C2,CID2851017,,0.0,,0.0,,,,,,,,,,,,,
Nc1ncnc2c1ncn2Cc1ccccc1,CID20262,,,,,,,,,,,,,,0.0,0.0,,
OCCNc1ncnc2c1ncn2Cc1ccccc1,CID667207,,0.0,,0.0,,,,,,,,,0.0,,,,
CCCCN1C(=O)NC(=O)/C(=C(/C)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1=O,CID5389691,,,,,,,,0.0,,,,0.0,0.0,,,0.0,
CCCCN1C(=O)NC(=O)/C(=C\Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1=O,CID5389154,,,,,,,,0.0,,,,,,,,,
C/C(NCc1ccco1)=C1\C(=O)NC(=O)N(Cc2ccccc2)C1=O,CID5389690,,,,,,,,0.0,,,,,,,,,
CC/C(NCc1ccco1)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O,CID5389510,,,,,,0.0,,,,,,0.0,,,,,
COc1ccc(N2C(=O)CC(N3CC=C(c4ccccc4)CC3)C2=O)cc1,CID3555454,0.0,,,,,,,0.0,,,,,,,,,
CCOC(=O)c1ccc(N2C(=O)CC(N3CC=C(c4ccc(F)cc4)CC3)C2=O)cc1,CID2949949,,,,,,,,,,,,,,,,0.0,
COC(=O)c1sc(N)c(C(=O)OC)c1CSc1nnc(-c2ccccc2Cl)n1C,CID2571541,,,,0.0,0.0,,,,0.0,,,,,,,,
C=CCn1c(SCc2c(C(=O)OC)sc(N)c2C(=O)OC)nnc1-c1ccc(Cl)cc1,CID2483621,,,,,,,,,0.0,,,,,,,,
O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)C1CCCO1,CID2993319,,,,,,,,,,,0.0,,,,,,
O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)C1CCCO1,CID2941074,0.0,,0.0,,,,,,0.0,,0.0,,,,,,
C=CCOn1c(C)c(C(C)=O)c2c3no[n+]([O-])c3ccc21,CID1819366,,,,,,,,,,,,0.0,,,,,
CCCCOn1c(C)c(C(=O)OCC)c2c3no[n+]([O-])c3ccc21,CID3242008,,,0.0,,,,,0.0,,,,,0.0,,,,
CCOC(=O)N1N=C(C)CC1(O)c1ccc(Cl)cc1,CID2857894,,,,,,,,,,,,,,0.0,,,
CC(=O)N1N=C(C)CC1c1ccc(O)cc1,CID2866241,,,,,,,,,,,,,,,0.0,,
Fc1ccc2[nH]c3c(N4CCN(C5CCCCC5)CC4)ncnc3c2c1,CID659873,,0.0,,,,,0.0,,,,,,,,,,
c1ccc2c(c1)[nH]c1c(N3CCN(C4CCCCC4)CC3)ncnc12,CID658556,,,,0.0,,,,,,,,0.0,,,,,0.0
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)C1c1ccco1,CID659871,0.0,0.0,0.0,0.0,,0.0,0.0,,,,0.0,0.0,,,,,0.0
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2)=C(C#N)C1c1ccco1,CID3782132,,,,,,,,,,,,0.0,,,,,
CCN(Cc1ccccc1)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C,CID659877,,0.0,,,,,,,,,,,0.0,,,,
CC(NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1,CID3126541,,0.0,,,,,,,,,0.0,,0.0,0.0,,,0.0
CCC(NC(=O)NC1=NCCS1)(C(F)(F)F)C(F)(F)F,CID659876,,,,,,,,,0.0,,,,,,,,
CC(C(=O)NC1=NCCS1)(C(F)(F)F)C(F)(F)F,CID2057112,,,,,,,,,0.0,,,,,,,,
Cc1cccc(C(=O)O/N=C2\C(=O)N(C)c3ccccc32)c1,CID789258,,,,,,,,,,,,,,0.0,,,
CN1C(=O)/C(=N\OC(=O)c2ccccc2Br)c2ccccc21,CID1366565,,,,,,,,,,,,,,,0.0,,
CCn1c(=O)cc(SCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc21,CID3244193,,,,,0.0,0.0,,,,,0.0,0.0,,,,0.0,
Cn1c(=O)cc(SCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc21,CID3238379,,,,,0.0,,,,,,,,0.0,,,,
Cc1c(C(=O)NCC2CCCO2)oc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc12,CID4130356,,,,,0.0,,,,,,,,,,0.0,,
Cc1c(C(=O)NCC2CCCO2)oc2ccc(S(=O)(=O)N3CCCCC3)cc12,CID5218883,,,,,,,,,,,,,,,,0.0,
S=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)Nc1ccccc1,CID5048787,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)cc(NC(=S)NCc2ccc3[nH]c4c(c3c2)CCCC4)c1,CID4134427,,,,,,,,,,,,,,,0.0,,
Cn1c(=O)n(C)c2cc(S(=O)(=O)NCc3ccccc3)ccc21,CID1093437,0.0,0.0,,0.0,0.0,0.0,,0.0,0.0,0.0,0.0,,,,,0.0,
CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C,CID701131,,0.0,,,,,,,,,0.0,,,,,,
COc1ccc(NC(=O)Nc2nnc(-c3ccncc3)s2)cc1,CID705307,,,,,,,,,,,,,,,0.0,,
Cc1ccc(NC(=O)Nc2nnc(-c3ccncc3)s2)cc1,CID881003,,,,,,,,,,,,,,,0.0,,
COc1cccc(NC(=O)CCSc2ccc3ccccc3n2)c1,CID2241315,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(NC(=O)CCSc2cc(C)c3ccccc3n2)cc1,CID983887,,,,,,,,,,,,,,0.0,,,
Cc1cccc(NC(=O)C(=O)NCc2ccc3c(c2)OCO3)c1C,CID2265965,,,,,,0.0,,,,,,,,,,,
CCc1ccc(NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1,CID2222902,,,,,,0.0,,,,,,,,,,,
Cc1cc(C)n(C(=O)c2cc3sccc3[nH]2)n1,CID645515,,,,0.0,,,0.0,0.0,,0.0,0.0,,,,,,
Cc1nn(C(=O)c2cc3sccc3[nH]2)c(C)c1C,CID646411,,,,0.0,,,,0.0,,,0.0,,0.0,,0.0,,
Cc1ccc(C(=O)N2CCN(S(C)(=O)=O)C2)cc1,CID645514,,0.0,0.0,,,,0.0,,,,0.0,,0.0,,,,
CS(=O)(=O)N1CCN(C(=O)c2ccccc2)C1,CID746186,,,,,,,,0.0,,,,,,,,,
CCc1cc2c(=O)c(-c3nc4ccccc4[nH]3)coc2c(CN2CCC(C)CC2)c1O,CID1391485,0.0,0.0,0.0,,,,,,0.0,,,,,,,0.0,0.0
CCc1cc2c(=O)c(-c3nc4ccccc4[nH]3)coc2c(CN2CCCC(C)C2)c1O,CID2936244,0.0,,0.0,,,,,0.0,0.0,,0.0,,,,,0.0,
CCn1c(COc2ccccc2C)nnc1SCC(=O)N1CCC(C)CC1,CID652439,0.0,,,,,,,0.0,,,0.0,,,,,0.0,0.0
CCn1c(COc2ccccc2C)nnc1SCC(=O)N1CCCCC1,CID647820,0.0,,,,,,0.0,,,,,,0.0,,,0.0,0.0
Cc1ccc(Nc2cc(C)nc3nnnn23)cc1,CID3242599,,0.0,,0.0,,,,0.0,,,,,,,,,
Cc1cc(Nc2ccc(Cl)cc2)n2nnnc2n1,CID3245617,,,0.0,,,,,,,,,,,,,0.0,
Cc1oc(-c2ccccc2)nc1Cn1cccc1C1=NC(c2ccccc2)CO1,CID3235850,,,,,,,,,,0.0,,,,,,,
Cc1oc(-c2ccccc2Cl)nc1Cn1cccc1C1=NC(c2ccccc2)CO1,CID9551168,,,,,,,,,,,,,,0.0,,,
CCOC(=O)N1CCN(C(=O)NC2CCCCC2)CC1,CID701332,,,,,,,,,0.0,,0.0,,,,,,
NC(=O)CN1CCN(C(=O)NC2CCCCC2)CC1,CID2056604,,0.0,0.0,,,,,,,,,,,,,,
C(=N/N1CCN(Cc2cccc3ccccc23)CC1)\c1ccco1,CID668455,,,,,,,,,0.0,,,,,,0.0,,
Cc1ccc(/C=N/N2CCN(Cc3cccc4ccccc34)CC2)o1,CID761083,,,,,,,,,,0.0,,0.0,,,,,
O=C(Nc1ncc(Br)s1)C(Cc1ccccc1)n1cccc1,CID5308071,,,,,,,,,,,0.0,,,,,,
Cc1csc(NC(=O)C(Cc2ccccc2)n2cccc2)n1,CID5309605,,0.0,0.0,0.0,,,,,,,,,,,,,
CC(=O)Nc1ccc2nc(C3CCCCC3)[nH]c2c1,CID719755,,,,,,0.0,,0.0,,,,,,,0.0,0.0,
O=C(O)CCn1c(C2CCCCC2)nc2ccccc21,CID612560,,,,,,,0.0,,,,,,0.0,,,,
Cc1ccccc1N1C(=O)C(Cl)=C(N2CCCCCC2)C1=O,CID719759,0.0,,0.0,0.0,,,,,,,,,0.0,0.0,,0.0,0.0
O=C1C(Cl)=C(N2CCCCCC2)C(=O)N1c1ccccc1,CID720263,0.0,0.0,0.0,,,0.0,,,,0.0,,,0.0,,,0.0,
Nc1nnc(SCC(=O)NCCOc2ccccc2)s1,CID1957156,,,,,,,,,0.0,,,,,,0.0,,
CC(=O)Nc1nnc(SCC(=O)NCCOc2ccccc2)s1,CID2065764,0.0,0.0,,,0.0,,0.0,,0.0,,,,,0.0,,,
C/C(=N\N=C\c1ccc(N(C)C)cc1)c1cccc([N+](=O)[O-])c1,CID882648,,,,,,,,,,,,,,,0.0,,
COc1ccc(/C=N/N=C/c2ccc(OC)c(O)c2)cc1O,CID487927,,,,,,,,,,,,0.0,,,,,
COc1ccccc1NC(=O)c1cc(C)nc2ccccc12,CID950083,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC(=O)c2cc(Cl)nc3ccccc23)cc1,CID820340,,,,,,0.0,,,,,,,,,,,
C=CCn1c(CC(=O)OC)cs/c1=N\c1ccc(C(C)=O)cc1,CID2131747,0.0,,0.0,,,,,0.0,,,,0.0,,,0.0,,
CC(=O)c1ccc(/N=c2\scc(C)n2C(C)C)cc1,CID2085414,,,,,,,,,,,,,,,0.0,,
COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)C1CC1,CID2112476,,,,,,,,,,,,,,,0.0,,
CCOc1ccccc1NC(=O)COC(=O)C1CC1,CID2096584,,,,,,,,,,,,,,,0.0,,
COc1ccc(OCC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1,CID750519,,,,,,,,,,,,,,,0.0,,
O=C(COc1ccccc1O)N1CCN(C(=O)c2ccco2)CC1,CID2360096,,,0.0,0.0,,,,,,,,,,,,,
COc1c2ccc(C(=O)NCCCCc3ccccc3)cc2nn1C,CID11958682,,,,,,,,,,,,,,0.0,0.0,,
CCCCn1nc2cc(C(=O)NCCCCc3ccccc3)ccc2c1OCC,CID11958414,,,,,,0.0,,,,,,,,,,,
C=CCOc1c2ccc(C(=O)NC3CCCc4ccccc43)cc2nn1C,CID11958681,,,,,,0.0,,,,,,,,,,,
CCCCn1nc2cc(C(=O)NC3CCCc4ccccc43)ccc2c1OCC,CID11958572,,,,,,0.0,,,,,,,,,,,
CCOc1cc(/C=C2\C(=O)ON=C2C)ccc1OCc1ccccc1,CID745143,,,,,,,,,,,,,,0.0,,,
CC1=NOC(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1,CID5346215,,,,,,0.0,,,,,,,,,,,
COc1ccc(CNc2nc(-c3ccccc3)nn2C(=O)c2cccs2)cc1,CID2208087,,,,,,0.0,,,,,0.0,,,,,,
O=C(c1cccs1)n1nc(-c2ccccc2)nc1NCc1ccc(F)cc1,CID2206587,,,,,,,,,,,,0.0,,,,,
CN(CC(=O)NC(=O)NCc1ccco1)Cc1nc(=O)c2ccccc2[nH]1,CID2698142,,0.0,,,,,,,,,0.0,,,,,,
CCN(CC(=O)NC(=O)NCc1ccco1)Cc1nc(=O)c2ccccc2[nH]1,CID2101738,,0.0,,,,,,,,,,,,,,,
COc1ccc2cc(S(=O)(=O)N3CCCCC3)ccc2c1S(=O)(=O)N1CCCCC1,CID1242000,,,0.0,,0.0,,,,,,0.0,,,,,,
COc1c(S(=O)(=O)N2CCCCC2)ccc2c(S(=O)(=O)N3CCCCC3)cccc12,CID2956332,,,,,0.0,,,,,,0.0,,,,,,
Cc1cccc(-n2ncc3c(N4CCc5ccccc54)ncnc32)c1,CID891582,,0.0,,,,,,,,0.0,,0.0,,,,,
COc1ccc(-n2ncc3c(N4CCc5ccccc54)ncnc32)cc1,CID891754,,,,0.0,,,,0.0,,,,,,,0.0,,
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC(=O)c4cccs4)cc3)C2=O)cc1,CID2181475,,,,,,0.0,,,,,,,,,,,
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)ccc1OC(=O)c1cccs1,CID2183360,,,,,,0.0,,,,,,,,,,,
COc1ccc(CN(C)C(c2ccccc2)c2nnnn2-c2ccccc2C)c(OC)c1C,CID2867853,,,,,,0.0,,,,,,0.0,,,,,
COc1cc(OC)c(OC)cc1CN(C)C(c1ccccc1)c1nnnn1-c1ccccc1C,CID2867844,,,,,,0.0,,,,,,0.0,,,,,
O=C(Nc1nnc(C2CCCC2)s1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1,CID649848,,,,,0.0,,,,0.0,,,0.0,,,,,
Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(C4CCCC4)s3)CC2)cc1,CID652574,,0.0,,,0.0,0.0,,,,0.0,,,,,,0.0,0.0
O=C(OC(C(=O)NCc1ccc2c(c1)OCO2)c1ccc(Cl)cc1)c1ccco1,CID649842,,,,,,,0.0,,,,,,,,,0.0,0.0
O=C(OC(C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1F)c1ccco1,CID656231,,,,,,0.0,,,,,,,0.0,,,,
COC(=O)c1sccc1-c1ccc(C(=O)Nc2cccc(Cl)c2)o1,CID2766428,,,,,,0.0,,,,,,,,,,,
COC(=O)c1sccc1-c1ccc(C(=O)Nc2ccccc2)o1,CID2764721,,,,,,,,,,,,,,0.0,,,
O=C(COc1ccccc1)NC1CCN(Cc2ccccc2)CC1,CID854438,,,,0.0,,,,0.0,,,,0.0,,,,,
CC(Oc1ccccc1)C(=O)NC1CCN(Cc2ccccc2)CC1,CID3246759,,,,,,,0.0,,,,0.0,,,,,,
O=C(NC12CC3CC(CC(C3)C1)C2)c1cccnc1,CID64196,,,,0.0,0.0,,0.0,,,0.0,,,0.0,,,0.0,
CN(C(=O)c1cccnc1)C12CC3CC(CC(C3)C1)C2,CID2971348,0.0,0.0,,,0.0,,0.0,,,,0.0,0.0,,,,0.0,
CC(C)C(NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1nc2ccccc2[nH]1,CID2998324,,,,,0.0,,,,0.0,,0.0,,0.0,,0.0,,0.0
O=C(NCc1nc2ccccc2[nH]1)c1ccc(S(=O)(=O)N2CCOCC2)cc1,CID2998889,,,,,,,,,0.0,,,,,,,,0.0
C=CCn1c(SCC(=O)c2cc(C)n(C(C)COC)c2C)nc2sc(C)c(C)c2c1=O,CID2999094,,,,,,,,,,,0.0,,,,,,
C=CCn1c(SCC(=O)c2cc(C)n(CCOC)c2C)nc2sc(C)c(C)c2c1=O,CID2132623,,,,,,0.0,,,,,,,,,,,
CC1CCCCC1NC(=O)c1cncc(Br)c1,CID2999090,0.0,,,,,,,,0.0,,,0.0,,,,0.0,
O=C(NC1CCCCC1)c1cccnc1C(=O)O,CID3242478,,,,,,,,,0.0,,0.0,,0.0,,,0.0,
CC1CN(C(=O)COC(=O)c2cccs2)CC(C)O1,CID2999093,,,,,,,,,0.0,,,,,,,,
Cc1ccsc1C(=O)OCC(=O)N1CCOCC1,CID2431072,,,0.0,,,,,,0.0,,,,0.0,,,0.0,0.0
COc1ccc(OCCC(=O)Nc2cc(C)on2)cc1,CID974881,,,0.0,,,,,,,0.0,,0.0,,,,0.0,
Cc1cc(NC(=O)CCOc2ccccc2)no1,CID976532,,,0.0,0.0,,,,,,0.0,,,,,,0.0,
O=C(COc1ccccc1)NCCn1ccc2ccccc21,CID3238237,,,,,0.0,,,0.0,,0.0,,0.0,,,,0.0,0.0
Cc1cc2ccccc2n1CCNC(=O)COc1ccccc1,CID4129168,,,,,0.0,,0.0,,,,,,,,,,0.0
COC(=O)c1ccc(S(=O)(=O)N(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C2CCCCC2)cc1,CID644934,,,,,0.0,,,0.0,,,,,,,,,0.0
COC(=O)c1ccccc1S(=O)(=O)N(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCCC1,CID649520,,,,,,,,0.0,,0.0,,0.0,,,,,
Cc1occc1-c1nnc(SCC(=O)NCCc2ccccc2)n1C(C)c1ccccc1,CID644930,0.0,0.0,0.0,0.0,,0.0,,,,,,,,,,,
Cc1occc1-c1nnc(SCC(=O)NCCc2ccccc2)n1Cc1ccccc1,CID645641,0.0,,,,0.0,0.0,,,0.0,,,,,,,,0.0
Clc1ccc(Cn2ncc3c(NCc4ccco4)ncnc32)c(Cl)c1,CID657901,0.0,,0.0,,,,,,,,,,0.0,,,,
c1ccc(Cn2ncc3c(NCc4ccco4)ncnc32)cc1,CID651202,,0.0,0.0,,,0.0,,0.0,,,0.0,,,,,,
O=c1c(F)cn(C2CCCO2)c(=O)n1Cc1ccccc1Cl,CID657900,,0.0,0.0,,,,,,,,,,,0.0,,,
O=c1c(F)cn(C2CCCO2)c(=O)n1Cc1ccccc1F,CID2962690,,,,0.0,,,,,,,0.0,,,,,,
O=C(NCc1ccc2c(c1)OCO2)c1ccc(COc2cc(Cl)ccc2Cl)o1,CID1269653,,,,,,,,,0.0,,,,,,,,
O=C(NCc1ccc2c(c1)OCO2)c1ccc(COc2cccc(Cl)c2)o1,CID650169,,,,0.0,,,,,,,,,0.0,,,0.0,
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nc(N)cc(N)n1,CID2128208,,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1ncccn1,CID2494532,,,,,,,,,,,,0.0,,,,,
COc1ccc(S(=O)(=O)N(CC(=O)NC2CC2)C2CCCCC2)cc1Cl,CID1253429,,0.0,,,0.0,,,,,,,0.0,0.0,,,,0.0
O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)NC1CC1,CID1160764,,,,,,,,,,,,,,,,,0.0
O=C(CSC1=NCCS1)N1CCN(c2ccc(Cl)cc2)CC1,CID2952012,,,,,,,,,0.0,,,,,,,,
O=C(CSC1=NCCS1)N1CCN(c2ccccc2)CC1,CID851595,,,,,,,,,,,0.0,,,0.0,0.0,,
O=C(NC1CCCCC1)C(c1ccco1)N(Cc1cccnc1)C(=O)C1COc2ccccc2O1,CID652087,0.0,0.0,,,0.0,,0.0,0.0,,0.0,,,0.0,,,,
Cc1ccc(C(C(=O)NC2CCCCC2)N(Cc2cccnc2)C(=O)C2COc3ccccc3O2)o1,CID652853,0.0,,0.0,,0.0,0.0,,0.0,,,,,,,0.0,,
Cc1cccn2c(=O)c3cc(C(=O)NCC4CCCO4)c(=N)n(Cc4cccnc4)c3nc12,CID652081,,,0.0,,,,,,,,,,,,,,
N=c1c(C(=O)NCC2CCCO2)cc2c(=O)n3ccccc3nc2n1Cc1cccnc1,CID646508,,0.0,0.0,0.0,,,,,,,,,,,,,0.0
CCOc1ccc2ccccc2c1C(=O)N1CCN(c2ccccc2)CC1,CID1247778,0.0,,,0.0,,,,0.0,0.0,,,0.0,0.0,,,,
O=C(c1cccc2ccccc12)N1CCN(c2ccccc2F)CC1,CID654101,,,0.0,,,,0.0,,,,,,0.0,,,,
CCN(CC)C(=O)CSc1nc2c(sc(=S)n2CC)c(=O)n1-c1ccccc1,CID3623922,,,,,,,,,,,,,,,0.0,,
CCn1c(=S)sc2c(=O)n(-c3ccccc3)c(SC)nc21,CID3245756,,,,,0.0,,,,,,,,,,,,
CC(=O)N1CCCc2cc(S(=O)(=O)N3CCN(c4ccccn4)CC3)ccc21,CID3241021,,0.0,0.0,,,,,0.0,,,,,,,,,0.0
CCC(=O)N1CCCc2cc(S(=O)(=O)N3CCN(c4ccccn4)CC3)ccc21,CID3237881,,,0.0,,,,,0.0,,,,,0.0,,,,0.0
Cc1cc(NCCCN2CCOCC2)n2c(nc3ccccc32)c1C#N,CID653975,,0.0,0.0,0.0,,0.0,0.0,0.0,,,,,,,,,
CC(C)c1cc(NCCCN2CCOCC2)n2c(nc3ccccc32)c1C#N,CID661180,,,,0.0,,,,,,,0.0,,,,,0.0,0.0
CCCCc1c(O)nc(SCC(=O)NCC2CCCO2)[nH]c1=O,CID652621,,,0.0,0.0,,,,,0.0,,,,,,,0.0,
CCCCCc1c(O)nc(SCC(=O)NCC2CCCO2)[nH]c1=O,CID648664,,,,,,,,,0.0,,,,,,,0.0,
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)C2c2ccccn2)o1,CID2950651,,,,,,,,,,,,,0.0,,,,
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)C1c1ccccn1,CID2951314,,0.0,,,,,,,,,,,,,,,
c1ccc(Cn2nnnc2C(c2ccncc2)N2CCOCC2)cc1,CID648580,,0.0,,0.0,,,,,,,,,,,,,
COc1ccc(Cn2nnnc2C(c2ccncc2)N2CCOCC2)cc1,CID651197,,0.0,,0.0,,,,,,0.0,,,,,,,
CCOc1ccc2[nH]c(=O)c(CN(CCN3CCOCC3)Cc3nnnn3C(C)(C)CC)cc2c1,CID648585,,0.0,,,,,0.0,,,,,0.0,,,,,
CCC(C)(C)n1nnnc1C(C(C)C)N(CCN1CCOCC1)Cc1cc2cccc(C)c2[nH]c1=O,CID3204404,,,,,,,,,,0.0,,0.0,,,,,
CCOC(=O)c1ccc(N(CC(=O)NC2CCCC2)C(=O)CNC(=O)c2ccco2)cc1,CID648588,,,,,,,,0.0,,,,,,,,,
COC(=O)c1ccc(N(CC(=O)NC2CCCC2)C(=O)CNC(=O)c2ccco2)cc1,CID650435,,,,,,,,,0.0,,,,,,,,
CC1CN(C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)CC(C)O1,CID2999214,,,,,,,,,,0.0,,,,,,,0.0
O=C(c1cn(-c2ccccc2)nc1-c1ccc(Cl)s1)N1CCOCC1,CID1288518,0.0,0.0,,0.0,0.0,,,,,,,0.0,,,,,
Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3-c3ccccc3)ccc2Cl)c1,CID2228302,,,,,,0.0,,,,,,,,,,,
Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccccc2-c2ccccc2)ccc1Cl,CID2233210,,,,,,,,,,,,0.0,,,,,
CCOc1ccc(/C=N/Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1OC,CID5058268,,,,,,,,,,,,,,,0.0,,
COc1ccc(/C=N/Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1O,CID2850923,,,,,,,,,,,0.0,,,,,,
Cc1occc1C(=O)NC(C)c1ccc2c(c1)OCO2,CID2970942,,,,,,,0.0,,,0.0,,,,0.0,,0.0,
Cc1occc1C(=O)NCc1ccc2c(c1)OCO2,CID887698,,,,,,,,,,0.0,,,0.0,,,0.0,
CC1CCc2nn(CC(=O)NC3CCCC(C)C3C)cc2C1,CID5307420,,,,,,,,,,,,,,,,0.0,
CC1CCC(NC(=O)Cn2cc3c(n2)CCCC3)CC1,CID5309319,,,,,,,,,,,,,,0.0,,0.0,
CCOC(=O)c1cc(NC(=O)Nc2ccccn2)c(C)nc1C,CID975530,,,,,,,,,,,,,,,0.0,,
O=C(Nc1cccnc1)Nc1ccccn1,CID783846,,0.0,0.0,,,,,0.0,,,,,,0.0,0.0,,
Cc1ccc(N(CC(=O)NCc2ccc3c(c2)OCO3)S(=O)(=O)c2c(C)noc2C)cc1,CID5309038,,,,,,,,0.0,,,,,,,,0.0,0.0
Cc1noc(C)c1S(=O)(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)c1ccc(C(C)C)cc1,CID5307909,,,,,,,,0.0,,,,,,,,,
COC(=O)c1ccccc1NC(=O)CNc1cc(Cl)ccc1N1CCOCC1,CID2437231,0.0,,,0.0,,0.0,,,,,,,,,,0.0,0.0
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NCC(=O)Nc2ccc(F)cc2)c1,CID4838130,,,,,,,,,,,,,,0.0,,,
O=c1nc2n(c(O)c1Cc1ccccc1O)CCCS2,CID5309033,,,,,,,,0.0,,,,,,,,,
O=c1nc2n(c(O)c1Cc1ccccc1)CCCS2,CID877924,,,,,,,,,,0.0,,0.0,,,,,
O=C(CCSc1ccc(Cl)cc1)NCc1ccccn1,CID1085916,,,,,,,,,,,,,,0.0,,,
Cc1ccc(SCCC(=O)NCc2ccccn2)cc1,CID1085602,,,,,,,,,,,,,,,0.0,,
Cc1cccc(NC(=O)CC(c2ccccc2)c2ccccc2)n1,CID776364,,,,,,0.0,,,,,,,,,,,
O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(Cl)cn1,CID878314,,,,,,0.0,,,,,,0.0,,,,,
Cc1ccc(-n2c(Cc3cccs3)nnc2SCC(N)=O)cc1,CID974211,,,,,,,,,0.0,0.0,,,,,,,
Cc1ccc(-n2c(Cc3cccs3)nnc2SCC(=O)OC(C)C)cc1,CID667163,0.0,,,,0.0,0.0,0.0,,,,0.0,,,0.0,,,
Clc1ccc(CSc2snnc2-c2ccccc2)cc1,CID3696026,,,,,,,,,,,,,,0.0,,,
c1ccc(CSc2snnc2-c2ccccc2)cc1,CID1473977,,,,,,,,,,,,,,,0.0,,
CCC(Sc1nc(C)cc(C)n1)C(=O)Nc1ccc(Cl)cn1,CID2890968,,,,,,,,,,,0.0,0.0,,,0.0,,
Cc1cc(C)nc(SCC(=O)Nc2ccc(Br)cn2)n1,CID1034973,0.0,,,,,,,,0.0,,0.0,0.0,,,,,0.0
Cc1nn2c(-n3ccnc3C)c3c(nc2c1-c1ccccc1)CCC3,CID4859929,,,,,,0.0,,,,,,,,,,,
Cc1nn2c(-n3ccnc3)c3c(nc2c1-c1ccccc1)CCC3,CID666608,,0.0,,,,,0.0,0.0,,,,,,,,,
Cc1ccc(C)c(N2CCN(C(=O)C3CCCN(S(=O)(=O)c4c(C)[nH]c(=O)[nH]c4=O)C3)CC2)c1,CID3243195,,,0.0,,,,,,,,,,,0.0,,,
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCCC(C(=O)N2CCN(c3ccccc3Cl)CC2)C1,CID3238834,,,,,0.0,,,,0.0,,,,,,,,
O=C(CNS(=O)(=O)c1cccs1)N1CCCC1,CID3243194,,,,,,,,,,,,,0.0,,,,
O=C(CNS(=O)(=O)c1ccc(Br)s1)N1CCCC1,CID3237147,,,,,,,,,0.0,,,,,,,,
Cc1ccc2cccc(OC(=O)c3ccc4c(c3)OCCO4)c2n1,CID651946,0.0,0.0,,,,,,,0.0,,,,,0.0,,0.0,
O=C(Oc1cccc2cccnc12)c1ccc2c(c1)OCCO2,CID806742,,0.0,0.0,,,,0.0,,0.0,,0.0,,,,,0.0,
COc1ccccc1CC(=O)N1CCCC1,CID869497,,,,,,,0.0,0.0,0.0,0.0,,,,,,,
O=C(Cc1c(F)cccc1Cl)N1CCCC1,CID974099,,,0.0,,,,,,,,,,,,0.0,,0.0
COC(=O)c1nn(-c2ccc3c(c2)OCO3)cc1O,CID2340362,,,,,,0.0,,,0.0,,,,,,,,
CCOC(=O)c1nn(-c2ccc3c(c2)OCO3)cc1O,CID703931,,,,,,,,0.0,,,,,0.0,,,,
Cc1ccc(CCN2CC(C(=O)NCCCN3CCOCC3)CC2=O)cc1,CID3243736,,,,0.0,,,,,,,,,,,,,
O=C(NCCCN1CCOCC1)C1CC(=O)N(CCc2ccccc2)C1,CID3240938,,,0.0,0.0,,,0.0,0.0,,,,,,,,,
Cn1c(=O)[nH]c(=O)c2c1nc(CN1CCOCC1)n2CCc1ccccc1,CID3243734,,0.0,,0.0,,,,0.0,,,,,,,,,
Cn1c(=O)c2c(nc(CN3CCOCC3)n2CCc2ccccc2)n(C)c1=O,CID647188,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C(=O)NCC2CCCO2)o1,CID2932338,,,,,,,,,,,,,0.0,0.0,,0.0,
CC(NC(=O)c1ccco1)C1CCCO1,CID2970543,,,,,,,,,,0.0,,,,,,,
CCN1C(=O)/C(=C\N2CCN(C)CC2)SC1=S,CID662371,0.0,0.0,,,0.0,,0.0,,,,,,,,,,
CN1CCN(/C=C2\SC(=S)NC2=O)CC1,CID664780,0.0,,0.0,,,,,,,,,,,,,,
C=CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccccn1,CID662379,0.0,0.0,0.0,,0.0,,,,,,,,,,,,
Cn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccccn1,CID974199,,0.0,0.0,0.0,0.0,,,,,,0.0,,0.0,,0.0,0.0,
Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCCn2ccnc2)cc1C,CID8184158,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCCn2ccnc2)cc1,CID2874139,,,,,,,,,,,,,,0.0,,,
COC(=O)C1=C(N)c2ccccc2C1(C#N)c1ccccc1,CID2764499,,,,,,0.0,,,,0.0,,,,,,,
COC(=O)C1=C(N)c2c(F)cccc2C1(C#N)c1ccccc1,CID2775317,,,,,,0.0,,,,,,,,,,,
CCOC(=O)N1CCN(c2c(NCc3ccc(Cl)cc3)c(=O)c2=O)CC1,CID9550909,,,,,,0.0,,,,,,,,,,,
CCOC(=O)N1CCN(c2c(NCc3ccccc3OC)c(=O)c2=O)CC1,CID5309389,0.0,,,,,,,,,,,,,,,,
COc1ccc(/C=C(/C#N)C(=O)NC2CCCCC2)cc1Br,CID1124190,,,,,,,,,,,,0.0,,,0.0,,
N#C/C(=C\c1ccccc1[N+](=O)[O-])C(=O)NC1CCCCC1,CID2378317,,,,,,,,,,,,,,0.0,0.0,,
CN1/C(=C\C(=O)c2cccs2)Sc2ccccc21,CID1633229,,,0.0,,0.0,0.0,,,,,,,0.0,,,,
CN1/C(=C/C(=O)c2cccs2)Sc2ccccc21,CID1633230,,,,,,0.0,,,,,,,,,0.0,,
COc1ccccc1CNC(=O)C1CC(=O)N(C2CCCC2)C1,CID3241771,,,,,,0.0,,,0.0,,,,,,,,
CCOc1ccc(CNC(=O)C2CC(=O)N(C3CCCC3)C2)cc1OC,CID3240754,,,,,,,,,0.0,0.0,,,,,,,
COc1cc2c(C(=O)NCc3ccccn3)cn(C)c(=O)c2cc1OC,CID3241772,,,,,,0.0,,,0.0,,,0.0,,,,,
COc1cc2c(C(=O)NCc3ccccn3)cn(CC(C)C)c(=O)c2cc1OC,CID5307222,,,0.0,,,,,,,,,,0.0,,,,
COc1ccc(CC(=O)NCc2cn3ccsc3n2)cc1,CID3241775,,,,,0.0,0.0,,0.0,,,,0.0,,,,,0.0
CCOc1ccc(CC(=O)NCc2cn3c(C)csc3n2)cc1,CID5310225,0.0,,,,,,,,,,,,0.0,,,,0.0
CC(=O)Nc1ccc(S(=O)(=O)NCc2csc(-c3cccnc3)n2)cc1,CID3241778,0.0,0.0,,0.0,0.0,,,,0.0,0.0,0.0,,,,,0.0,
COc1ccc(S(=O)(=O)NCc2csc(-c3cccnc3)n2)cc1,CID9551583,,,,,,,,,,,0.0,,,,,,
CN(C(=O)CSC1=Nc2ccccc2C2=NC(c3ccccc3)C(=O)N12)C1CCCCC1,CID4685148,,,,,,,,,,,0.0,,,,,,
O=C(CSC1=Nc2ccccc2C2=NC(c3ccccc3)C(=O)N12)NC1CCCCC1,CID9550359,,,,,,0.0,,,,,,,,,,,
O=C(c1nc2ncccn2n1)N1CCN(c2ccccc2)CC1,CID821809,,0.0,,0.0,,,,,,,,,,0.0,,,
O=C(c1nc2ncccn2n1)N1CCN(c2ccc(F)cc2)CC1,CID821825,,0.0,,,,,0.0,,0.0,,,,0.0,,,,
O=S(=O)(Nc1cccnc1Cl)c1ccc2c(c1)OCCO2,CID2366879,,,,,,,,,,0.0,,,,,0.0,,
O=S(=O)(Nc1cccnc1)c1ccc2c(c1)OCCO2,CID722533,,,,0.0,,,0.0,0.0,0.0,,,0.0,0.0,,,0.0,
Cc1nc(NS(=O)(=O)c2ccc(Br)cc2)c2c3c(sc2n1)CCC3,CID2123720,,,,,,,,,0.0,,,,,,,,
Cc1nc(NS(=O)(=O)c2ccccc2C)c2c3c(sc2n1)CCC3,CID2101019,,,,,,0.0,,,,0.0,0.0,,,,,,
COC(=O)c1ccccc1NC(=S)NC(=O)C1CC1,CID1226721,,,,,,,,,,,,0.0,,,,,
Cc1cc(NC(=S)NC(=O)C2CC2)ccc1Br,CID2376105,,,,,,,,,,,,,,0.0,,,
O=c1cc(-c2ccccc2)[nH]c(SCc2ccc(Cl)cc2)n1,CID697060,,,,,,,,,,,,,,0.0,0.0,,
O=c1cc(-c2ccccc2)[nH]c(SCc2ccccc2)n1,CID697059,,,,,,,,,,,,0.0,,,,,
O=C(Nc1nnc(C2CCCO2)s1)c1ccc(Br)cc1,CID2960325,,,,,,,,,0.0,,,,,,,,
CN(C(=O)c1cccc(C#N)c1)c1nnc(C2CCCO2)s1,CID653078,,,,0.0,,,,0.0,,,,,0.0,,0.0,,
CC(C)c1ccc2oc(-c3ccc(NC(=O)c4ncn[nH]4)cc3)nc2c1,CID709605,,,0.0,0.0,,,,,,,,,0.0,,,,
CCC(C)c1ccc2oc(-c3ccc(NC(=O)c4ncn[nH]4)cc3)nc2c1,CID2957275,,,,,,,0.0,0.0,,,0.0,,,,,,
Cc1cc(C)n(/N=C/c2ccco2)c(=O)c1C#N,CID265000,,,,,,,,,,,,,,,0.0,,
Cc1ccc(/C=N/n2c(C)cc(C)c(C#N)c2=O)o1,CID717773,,,,,,,,,,,,,,,0.0,,
C(=N/C12CN3CN(CN(C3)C1)C2)\c1cccs1,CID796493,,,,,,,,,,,,0.0,,,,,
CCc1ccc(/C=N/C23CN4CN(CN(C4)C2)C3)s1,CID779986,,0.0,0.0,,,,,0.0,,,0.0,,,,,,
CCOC(=O)C1=CN(Cc2ccc(OC)cc2)C=C(C(=O)OCC)C1c1cccs1,CID2172353,,,,,,,,,,,,,,0.0,,,
COC(=O)C1=CN(Cc2ccc(OC)c(OC)c2)C=C(C(=O)OC)C1c1cccs1,CID1272579,,,,,,,,,,,,,,,0.0,,
N#CCC(=O)Nc1ncn(Cc2ccccc2Cl)n1,CID1244173,0.0,0.0,,,,,,,,,,,,,,,
OCc1nc(CO)n(Cc2ccccc2)n1,CID562532,,,,0.0,,,0.0,0.0,,,,,0.0,,0.0,,
Cc1nc2cc3ccccc3cc2n1C,CID744227,,,,,,,,,,,,,,,0.0,,
CC(C)c1nc2cc3ccccc3cc2[nH]1,CID654663,,,,,,,,,,,,,,,,0.0,
Cc1ccsc1/C=N/c1c(C)n(C)n(-c2ccccc2)c1=O,CID710113,0.0,,,,,,,,,,,,,,,0.0,
Cc1c(/N=C/c2cccs2)c(=O)n(-c2ccccc2)n1C,CID710110,,,,,,0.0,,,0.0,,,,,,,0.0,
O=C(Nc1ccccc1)N1CCn2c1nc1ccccc12,CID975822,,0.0,,0.0,,,,,,,,,,,,,
COc1ccc(NC(=O)N2CCn3c2nc2ccccc23)cc1,CID1508672,,,,0.0,,,,,,,0.0,0.0,,,,,
O=C1CSCN1c1ccc(Cl)cc1,CID1475313,,,,,,,,,,,,,,0.0,,,
O=C1CSCN1c1ccc(Cl)c(Cl)c1,CID4585437,,,,,,,,,,,,,,,0.0,,
CCOc1cc(NC(=O)c2cnccn2)c(OCC)cc1NC(=O)c1ccc(C)cc1,CID1138784,,,,,,,,,0.0,,0.0,0.0,,,,,
CCOc1cc(NC(=O)c2cnccn2)c(OCC)cc1NC(=O)c1ccc(OC)cc1,CID648180,,,0.0,0.0,,,0.0,,0.0,,0.0,,0.0,,,,0.0
CCn1c(SCc2cccc(OC)c2)nnc1C(Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1,CID3571234,,,,,,,,,,,,,,0.0,,,
CCn1c(SCc2ccc(C)cc2)nnc1C(Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1,CID4615445,,,,,,,,,,,,0.0,,,,,
CC(C)OC(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)NC3CC3)cc21,CID653600,,,0.0,,,,,0.0,0.0,,,,,,,,
COC(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)NC3CC3)cc21,CID650569,,0.0,,,,,,0.0,,,,,,,,,
COc1ccccc1CN(CC(=O)NCc1ccco1)C(=O)CNS(=O)(=O)c1ccccc1,CID653601,,,,,0.0,,,,0.0,0.0,0.0,,0.0,,0.0,,0.0
COc1ccccc1CN(CC(=O)NCc1ccco1)C(=O)CNS(=O)(=O)c1ccc(C)cc1,CID645932,,,,,0.0,,,,0.0,,0.0,,,,,,0.0
CCOc1ncccc1C(=O)OCC(=O)c1ccc(Cl)s1,CID3292830,,,,,,,,,,,,,,0.0,,,
CCOc1ncccc1C(=O)OCC(=O)c1cccs1,CID2336418,,,,,,,,,,,,0.0,,0.0,,,
Cc1ccc(-c2nc3ccccc3c(C(=O)NCc3cccs3)c2C)cc1,CID1011328,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C)c(-c2cc(C(=O)NCc3cccs3)c3ccccc3n2)c1,CID1261994,,,,,,0.0,,,,,,,,,0.0,,
O=[n+]1c2c(n([O-])c3cc(F)c(F)cc31)CCCC2,CID3239837,,,,0.0,,,,,,,,,0.0,,,,
O=[n+]1c2c(n([O-])c3cc(F)ccc31)CCCC2,CID3238284,,,,0.0,,0.0,0.0,,,,,,,,,,
Cc1cccc(C(=O)NC(=S)NNC(=O)COc2c(C)cccc2C)c1,CID1791279,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2)cc1,CID1715241,,,,,,,,,,,,,,0.0,,,
COc1cc(NC(=O)CSCc2cnn(-c3ccccc3)c2-n2cccc2)cc(OC)c1,CID3239833,0.0,,0.0,,,,,,,,,,,,,,
COc1ccc(OC)c(NC(=O)CSCc2cnn(-c3ccccc3)c2-n2cccc2)c1,CID3240913,0.0,,,,,,,,,,0.0,,,,,,
Cc1ccc(C)c(S(=O)(=O)NCCOC(=O)Nc2sc(=S)n(C)c2C)c1,CID2288023,,,,,0.0,,,,0.0,,,,,,,,
Cc1ccc(S(=O)(=O)NCCOC(=O)Nc2sc(=S)n(C)c2C)cc1,CID2287862,,,,,,,,,0.0,,,,,,0.0,,
N#CC1=C(N)OC2=C(C(=O)CCC2)C12CCC1(CC2)OCCO1,CID652954,,,,,,,,0.0,,,,,,,,,
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C21CCC2(CC1)OCCO2,CID931240,,,,,,,,0.0,,,,,,,,,
COCCn1c(C)cc(/C=N/NC(=O)c2cccnc2)c1C,CID2451383,,,,,,,,,,,,,,0.0,,,
Cc1c(/C=N/NC(=O)c2cccnc2)cc(C#N)n1C,CID2451470,,,,,,,,,,,,,,,0.0,,
O=C(CCSc1ccccc1)NCC1CCCO1,CID2951053,,,,0.0,0.0,,0.0,,,,,,,,,,
Cc1ccc(SCCC(=O)NCC2CCCO2)cc1,CID2948475,,,,,0.0,,,,,,,,,,,,
O=C(CCl)N1N=C(c2cccs2)CC1c1ccco1,CID3162837,,,,,,,,,,,,,,0.0,,,
CC(=O)N1N=C(c2cccs2)CC1c1ccc(C)o1,CID2987751,,,,,,,,,,,,,,,0.0,,
O=C(c1ccc(Cl)s1)N1CCc2ccccc21,CID693000,,0.0,,0.0,,,,,,,,,,0.0,,,
O=C(c1cccs1)N1CCc2ccccc21,CID779968,,,0.0,,0.0,,0.0,,,,,,0.0,0.0,0.0,,
O=C1NC(=O)C2(Cc3ccccc3N3CCN(c4ccccc4)CC32)C(=O)N1c1ccccc1,CID5390076,,,,,,0.0,,,,,,,,,,,
Cc1ccc(N2C(=O)NC(=O)C3(Cc4ccccc4N4CCN(c5ccccc5)CC43)C2=O)cc1,CID667114,0.0,0.0,,,,,,,,,,,,,,,
CC(C)C1Oc2ccccc2N(CC(=O)N(Cc2ccncc2)Cc2ccco2)C1=O,CID3225001,,,,,,,,,0.0,,0.0,,,0.0,,,
CCC1Oc2ccc(C)cc2N(CC(=O)N(Cc2ccncc2)Cc2ccco2)C1=O,CID3225065,,,,,,,,,0.0,,,0.0,,,,,
CCOC(=O)c1cnc(-n2cc(C)cn2)nc1NCc1ccc2c(c1)OCO2,CID663859,,,0.0,,,,,,,,,0.0,,,,0.0,
CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1NCc1ccc2c(c1)OCO2,CID662273,,,,,,,,,,,,,0.0,,0.0,,
O=C1c2oc3ccccc3c(=O)c2C(c2ccc(Cl)cc2)N1c1ncccn1,CID663852,0.0,,,0.0,,,0.0,,,,,,0.0,,,0.0,0.0
O=C1c2oc3ccccc3c(=O)c2C(c2ccc(Br)cc2)N1c1ncccn1,CID664908,0.0,,,,,,,,0.0,,,,,,,0.0,0.0
O=C(c1cc2c(s1)CCC2)N1CCN(c2ccccc2)CC1,CID2472264,,,,,,,,,,,0.0,,,,,,
CCOc1ccccc1N1CCN(C(=O)c2cc3c(s2)CCC3)CC1,CID2349366,,,,,,,,,,,,,,,,0.0,
CN(C)c1nc(N)nc(CSc2nnnn2-c2ccccc2)n1,CID1248117,,,,,,,,,,,,0.0,,,0.0,,
CN(C)c1nc(N)nc(CSc2nnnn2-c2ccc(C(=O)O)cc2)n1,CID1866258,,,,,,,,,,,0.0,,,,,,
COc1ccc(-n2nnnc2SCC(=O)Nc2nnn(C)n2)cc1,CID2024579,,,,,,,,,,,,,,,0.0,,
Cn1nnc(NC(=O)CSc2nnnn2-c2ccc(F)cc2)n1,CID1243607,,0.0,,,0.0,,,,,,,,,,,,
COC(=O)c1ccc2nc(NC(=O)C3CCCCC3)sc2c1,CID1079141,,,,,,,,,,,,,,0.0,,,
CS(=O)(=O)c1ccc2nc(NC(=O)C3CCCCC3)sc2c1,CID839966,,,0.0,,0.0,0.0,0.0,,,0.0,,,0.0,,,,
Cn1c(=O)c2c(nc(SCC(=O)O)n2Cc2cc3c(cc2Cl)OCO3)n(C)c1=O,CID1345840,,,,,,,,,0.0,,,,,,,,
CC(Sc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cc2c(cc1Cl)OCO2)C(=O)O,CID2898343,,,,,,,,,0.0,,,,0.0,,,,
CC(=O)Nc1nc2ccc(C(=O)NC3CCCCC3)cc2s1,CID1079149,,,,,,,,,,,0.0,,,,0.0,,
Nc1nc2ccc(C(=O)NC3CCCCC3)cc2s1,CID648941,,,,0.0,,,,,,,0.0,,,,,,
Cc1cc(C)n(-c2nc3ccccc3c(=O)n2OCc2ccc(F)cc2)n1,CID665457,,,,,,,,0.0,,,,0.0,,,,,0.0
Cc1cc(CC(C)C)n(-c2nc3ccccc3c(=O)n2OCc2ccccc2)n1,CID2023456,,,,,,0.0,,,,,,0.0,,,0.0,,
O=c1cc(-c2ccccc2)c2c([nH]1)CCCC2,CID3238911,,0.0,,0.0,,,,,0.0,0.0,0.0,,,,,,
CCOC(=O)Cn1c2c(c(-c3ccccc3OC)cc1=O)CCCC2,CID3245833,0.0,,,,,,,0.0,,,,,,,,0.0,
CC1(C)CC(=O)C(=CNn2cnc3ccccc3c2=O)C(=O)C1,CID648673,,0.0,,,,,,0.0,,,,,,,,,
CC1(C)CC(=O)C(=CNn2c(C(F)(F)F)nc3ccccc3c2=O)C(=O)C1,CID1276179,,,,,,,,,0.0,,,,,,,,
COCCn1c(Cc2ccccc2)nnc1SCC(=O)N1CCCCC1C,CID3149068,,,,,,,,,,0.0,,,,,,,
COCCCn1c(Cc2ccccc2)nnc1SCC(=O)N1CCCCC1,CID654788,0.0,,,,,0.0,,,,,,,0.0,,,0.0,
CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2oc3ccccc3c2C)c1C,CID2434694,,,,,,,,,,,0.0,,,,0.0,,
CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2oc3ccc(OC)cc3c2C)c1C,CID2125086,,,,,,,,,,,0.0,,,,,,0.0
CC1(C)CC(=O)c2c(nc3[nH]c(=O)[nH]c(=O)c3c2-c2ccccc2)C1,CID5341572,,,,,,,,,,,0.0,,,,,,
CC1(C)CC(=O)c2c(nc3[nH]c(=O)[nH]c(=O)c3c2-c2ccc([N+](=O)[O-])cc2)C1,CID5441054,,,,,,,,,,,,0.0,,,,,
O=C(Nc1nc2ccccc2s1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O,CID2569620,,,,,,,,,,,,,,,0.0,,
O=C(Nc1nc2ccc(SC(F)F)cc2s1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O,CID2385932,,,,,,,,,,,,,,0.0,,,
CC(C)(C)NC(=O)Cn1c(SCC(=O)N2CCCCCC2)nc2ccccc21,CID652129,0.0,,,,,,0.0,,,,0.0,,,,,,0.0
CC(C)NC(=O)Cn1c(SCC(=O)N2CCCCCC2)nc2ccccc21,CID646709,0.0,,0.0,,,0.0,,0.0,,,,,,,,0.0,0.0
COC(=O)CSc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)N(C)C2,CID1305519,,0.0,,0.0,,,,,0.0,,0.0,,,,0.0,0.0,0.0
CCOC(=O)CSc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)N(C)C2,CID658586,,,,,,,,,0.0,,0.0,,,,,,
CCCOc1ccc2oc(=O)c3c(c2c1)CCCN3C(=O)CN1CCN(c2ncccn2)CC1,CID3243848,0.0,,0.0,0.0,,,,,,,,,,,,,
CC(=O)Oc1ccc2oc(=O)c3c(c2c1)CCCN3C(=O)CN1CCN(c2ncccn2)CC1,CID3240361,,,,,,,,,,,,0.0,,,,0.0,
O=C(Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)C2)C12CC3CC(CC(C3)C1)C2,CID3243845,0.0,,,,0.0,,,,,,,,0.0,,,,0.0
COc1ccc(-n2nc3c(c2NC(=O)C24CC5CC(CC(C5)C2)C4)CS(=O)C3)cc1,CID3335120,,,0.0,,0.0,0.0,,,,,0.0,,,,,,0.0
Cc1ccc2c(c1)cc(CN(Cc1cccs1)C(=O)c1ccco1)c1nnnn12,CID645364,0.0,0.0,,,0.0,,,,,,0.0,,,,0.0,,
Cc1ccc2cc(CN(Cc3cccs3)C(=O)c3ccco3)c3nnnn3c2c1C,CID651439,0.0,,,,0.0,,,,,,0.0,,,,,,
Cc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)Cc3nnnn3CC3CCCO3)cc2c1,CID645365,,,0.0,,,,,,,,,,,,,0.0,
COc1ccc2cc(CN(CCc3ccccc3)Cc3nnnn3CC3CCCO3)c(=O)[nH]c2c1,CID650715,,,,,,,,,,,,,,,0.0,,
CCN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC3CCCO3)cc2)CC1,CID645360,,,,,0.0,,,,,0.0,0.0,,0.0,,,0.0,
N#CCCN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC3CCCO3)cc2)CC1,CID4118030,,,,,0.0,,,,,,,,,,,0.0,
CC(C)CC(C(=O)Nc1ccc2c(c1)OCCO2)N1C(=O)c2ccccc2C1=O,CID645361,,,,0.0,,0.0,,,,0.0,0.0,0.0,0.0,,,,
CC(C)C(C(=O)Nc1ccc2c(c1)OCCO2)N1C(=O)c2ccccc2C1=O,CID2788660,,,0.0,0.0,,,0.0,,0.0,0.0,0.0,0.0,,,,,
Cc1cc(NC(=O)CSc2nnc(C3CC3)n2N)no1,CID2601709,,,0.0,0.0,,,,,,,0.0,,,,,0.0,
Cc1cc(NC(=O)CSc2nnc(C3CC3)n2C)no1,CID644794,,0.0,,0.0,,,,,,0.0,,,,,,0.0,
Cc1cccc(OCCCN2CCCCCC2)c1,CID2194675,,,,,,,,,,0.0,,,,,,,
COc1ccc(OCC(O)CN2CCCCCC2)cc1,CID3134456,,,,,,,,,,0.0,,,,,,,
O=C(CSc1nc2ccccc2o1)Nc1nc(-c2ccccc2)cs1,CID2059463,,,,,,,,,,,,,,,0.0,,
Cc1ccc(-c2csc(NC(=O)CSc3nc4ccccc4o3)n2)cc1,CID1008246,,,,,,,,,,,,,,0.0,,,
Fc1cccc(Cl)c1Cn1nnc(-c2ccc(N3CCOCC3)cc2)n1,CID1166109,,,,,,,,,,0.0,,0.0,,,,,
Clc1ccc(Cn2nnc(-c3ccc(N4CCOCC4)cc3)n2)cc1,CID648488,0.0,,0.0,,,,,,,,,,0.0,,,,
Cc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)o1,CID2051278,,0.0,,0.0,,,,0.0,,,0.0,,0.0,,0.0,,0.0
COCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)o1,CID2155632,,,0.0,,,,,0.0,0.0,,,,,,,,0.0
COc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NC3CCCC3)c2=O)cc1,CID3237866,0.0,0.0,,,0.0,,,,0.0,0.0,,,,,,,
COc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NC3CCCC3)c2=O)c(OC)c1,CID3240643,,,0.0,,0.0,,,,0.0,0.0,,,,,,,
Cc1nn(-c2ccccc2)c2c1C(c1ccco1)C(C#N)=C(N)O2,CID658191,0.0,,,,,,0.0,,,,,,0.0,,,,
Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)C3c2ccco2)cc1,CID2866107,0.0,0.0,0.0,,,,,,0.0,,0.0,,,,,,0.0
COc1ccc(CCN/C=C2/CC(=O)NC2=O)cc1OC,CID658190,0.0,,0.0,,0.0,,,0.0,,,,,,,,,
CC(Cc1ccccc1)N/C=C1/CC(=O)NC1=O,CID2847695,,,,0.0,,,,,,0.0,,0.0,,,,,
CCNc1nc(NCc2ccccc2)nc(Oc2ccc(=O)[nH]n2)n1,CID977217,,0.0,,0.0,,,,,,,,,,,,,
CN(C)c1nc(NCc2ccccc2)nc(Oc2ccc(=O)[nH]n2)n1,CID644430,,0.0,0.0,,,,,,,,,,0.0,,,,
Fc1ccc(/C=N/n2c(-c3cccs3)n[nH]c2=S)cc1,CID2767883,,,,,,,,,,,,0.0,,,,,
Cc1ccc(/C=N/n2c(-c3cccs3)n[nH]c2=S)cc1,CID2767908,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1cnn(-c2ccccc2)c1-n1cccc1C(=O)C(=O)Nc1ccc(F)cc1,CID2767887,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1cnn(-c2ccccc2)c1-n1cccc1C(=O)C(=O)Nc1ccccc1,CID2767888,,,,,,0.0,,,,,,0.0,,,0.0,,
O=C(O)C1CCCCC1C(=O)Nc1ccccn1,CID350697,,0.0,,,,,,,0.0,,,,,,,,0.0
O=C(Nc1ccc([N+](=O)[O-])cn1)C1CCCCC1,CID2931199,,,,,,,,,,,,,,0.0,0.0,,
N#Cc1c(N)nc(N2CCCC2)c(C#N)c1-c1ccc(Cl)cc1,CID672442,0.0,,,,,,,,,,,,,0.0,0.0,0.0,
N#Cc1c(N)nc(N2CCCC2)c(C#N)c1-c1ccccc1,CID684664,,,,,,,,,,,,0.0,,,,,
CCOC(=O)Cc1csc(NC(=O)NC2(C(F)(F)F)Oc3ccccc3O2)n1,CID1280473,,,,,,,,,,0.0,,,,,,,
CCOC(=O)Cc1csc(NC(=O)NC2(C(F)(F)F)Oc3ccc(Cl)cc3O2)n1,CID4088512,,,,,,,,,,,,0.0,,,,,
CCOc1ccc(NC(=O)c2ccccc2NC(=O)CN2CCN(C(C)=O)CC2)cc1,CID2526403,0.0,,,,,,,,,,,,,,,0.0,0.0
CCOC(=O)N1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccccc2F)CC1,CID2944754,,,,,,,,,,,,,,0.0,,,
CCCCC1CCC(c2nc(-c3cccnc3)no2)CC1,CID2213323,,,,,,,,0.0,,,,,,,,,
CCCC1CCC(c2nc(-c3cccnc3)no2)CC1,CID646685,0.0,,,,,0.0,,,,,0.0,,,,,0.0,
Cc1cc(C)c(C)c(S(=O)(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)c1C,CID984371,,,,,,,,,,,0.0,,,,0.0,,
CCOC(=O)C1CCN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(C)cc3)cc2)CC1,CID6624362,,,,,,,,,,,,,,,0.0,,
Clc1ccc(-c2cc(COc3ccccc3)on2)cc1,CID1480824,,,,,,,,,,,,,,0.0,,,
COc1ccc(OCc2cc(-c3ccc(Cl)cc3)no2)cc1,CID1480805,,,,,,,,,,,,,,0.0,,,
COc1ccccc1C(=O)OCC(=O)Nc1ccc(Cl)cn1,CID2559556,,,,,,,,,,,,,,,0.0,,
O=C(COC(=O)c1ccccc1)Nc1ccc(Cl)cn1,CID2493718,,,,,,,,,,,,,,0.0,,,
COc1ccc(NC(=O)COc2nsnc2N2CCCCC2)cc1,CID866661,0.0,,0.0,,0.0,0.0,0.0,0.0,0.0,,0.0,,0.0,,,0.0,0.0
CCOc1ccc(NC(=O)COc2nsnc2N2CCCCC2)cc1,CID2159447,0.0,0.0,0.0,,0.0,0.0,,,,,0.0,,,,,0.0,0.0
O=C(CSc1nccn1-c1ccccc1)N1CCc2ccccc21,CID866669,0.0,0.0,,,0.0,0.0,,0.0,,,,,,,,0.0,
COc1cccc(-n2ccnc2SCC(=O)N2CCc3ccccc32)c1,CID3240608,0.0,,,0.0,0.0,,,,,,,,,,,0.0,0.0
O=C(c1ccc(=O)oc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1,CID663320,0.0,,,,,,,,0.0,0.0,,,,,,,
Cc1cc(=O)oc(C)c1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1,CID597482,0.0,,0.0,,,,,0.0,0.0,,,,0.0,0.0,,,
O=S(=O)(c1ccccc1)N1CCN(C(=S)Nc2ccc(F)cc2)CC1,CID2441503,,,,,,,,,,,,,,0.0,,,
O=S(=O)(c1ccc(Cl)cc1)N1CCN(C(=S)Nc2ccccc2F)CC1,CID2446123,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1cc2ccccc2nc1N1CCCCC1,CID661760,0.0,,,,,,,,0.0,,,,,,,,0.0
CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1cc2cc(C)ccc2nc1N1CCCCC1,CID3168161,,,,,,,,,0.0,,,,,,,,
CC(=O)Nc1ccc(S(=O)(=O)NCCc2csc(C)n2)cc1,CID3243012,0.0,0.0,,,0.0,,,,,,,,,,,,
COc1ccc(S(=O)(=O)NCCc2csc(C)n2)cc1C,CID3238039,,,,,0.0,0.0,,,0.0,0.0,0.0,,0.0,,,,
Cc1ccc2c(c1)N(CCC(=O)NCc1ccco1)C(=O)CO2,CID3243011,,,,,,,0.0,,,0.0,,,,,,0.0,
O=C(CCN1C(=O)COc2ccccc21)NCc1ccco1,CID3241592,0.0,,,,,,,,,0.0,,,,,,,
Cc1ccc(-c2ccc(=O)n(CCC(=O)NCc3ccccn3)n2)cc1,CID3241660,,0.0,,,,,,,,,0.0,,,,,,
O=C(CCn1nc(-c2ccc(Cl)cc2)ccc1=O)NCc1ccccn1,CID3238049,0.0,,0.0,0.0,,0.0,,,,,,,,,,,0.0
Nc1c(-c2ccccc2)cnc2ncnn12,CID2763471,,,,,,,,,,,,,,0.0,,,
Nc1c(-c2ccc(Cl)cc2)cnc2ncnn12,CID1476958,,,,,,,,,,,,,,,0.0,,
Cn1c(SCc2nc3ccccc3[nH]2)nnc1-c1cccs1,CID663327,0.0,,0.0,,0.0,0.0,0.0,,0.0,0.0,,,,,,,
CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1cccs1,CID663408,0.0,0.0,,0.0,0.0,,,,0.0,,,,,,0.0,,
Cc1cc2ncn(CC(O)COC3CCCCC3)c2cc1C,CID2876957,,,,,0.0,,,0.0,,,,,,,,,
Cc1nc2ccccc2n1CC(O)COC1CCCCC1,CID2877107,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)nc(N(C#N)CC(=O)N(c2ccccc2)C(C)C)n1,CID657676,,0.0,0.0,0.0,,,,,,,,,,,,,
Cc1cc(C)nc(N(C#N)CC(=O)Nc2ccccc2)n1,CID650125,,0.0,,,,,0.0,0.0,,,,,,,0.0,,
COCCn1cc(C(=S)N2CCOCC2)c2ccccc21,CID2215778,,,,,,0.0,,,,,,,,,,,
S=C(c1c[nH]c2ccc(Br)cc12)N1CCOCC1,CID2301266,,,,,,,,,,,,,,0.0,,,
CCOC(=O)N(Cc1ccccc1)C(C(=O)O)C(C(=O)O)N(Cc1ccccc1)C(=O)OCC,CID657674,,,,,,,,0.0,,,,,,,,,
C#CC(CO)N(CCN(Cc1ccccc1)C(C#C)CO)Cc1ccccc1,CID2827417,,,,,,,,0.0,,,,,,,,,0.0
CC1=C(C(=O)Nc2ccc(Cl)cc2)C(c2cccs2)N2NN=NC2=N1,CID5771454,,,,,,,0.0,,,,,,,,,,
CC1=C(C(=O)Nc2ccccc2)C(c2cccs2)N2NN=NC2=N1,CID5711574,,,,0.0,,,0.0,,,,,,,,,,
COc1ccccc1C1=NC2=NC(C)=C(C(=O)Nc3cccnc3)C(c3cccs3)N2N1,CID5771451,,,,0.0,,,,,,,0.0,,,,,,
COc1cccc(C2=NC3=NC(C)=C(C(=O)Nc4cccnc4)C(c4cccs4)N3N2)c1,CID5309246,,,0.0,0.0,,,,,,,,,,,,0.0,
Cc1ccc(N(C(=O)c2cccs2)C2C=CS(=O)(=O)C2)cc1,CID2946870,,,0.0,,,0.0,0.0,,0.0,,0.0,,,,,,
CCc1ccccc1N(C(=O)c1cccs1)C1C=CS(=O)(=O)C1,CID3239710,,0.0,,,,0.0,,,0.0,,,,,,,0.0,0.0
CCN(CCCNC(=O)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1)c1ccccc1,CID3242361,,,,,,,,0.0,,,,,,,,,
CCN(CCCNC(=O)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1)c1cccc(C)c1,CID3241696,,,,0.0,0.0,0.0,,,,,,,,,,,
CC(C(=O)NCC1CCCO1)n1cccc1C(=O)c1ccccc1,CID3237476,,,,,0.0,,,0.0,,,,,,,,,
Cc1ccccc1C(=O)c1cccn1CC(=O)NCC1CCCO1,CID3240866,,,,,,,,0.0,,,,,,,,,0.0
O=C(CN1C(=O)COc2ccccc21)NCCN1CCc2ccccc2C1,CID3237472,,,0.0,,,,,,,,,0.0,,,,0.0,
CCC1Oc2ccccc2N(CC(=O)NCCN2CCc3ccccc3C2)C1=O,CID3241981,,,,,0.0,,,,0.0,,,0.0,,,,,
CC12CC(c3ccccc3O1)N(C(=O)c1ccco1)C(=O)N2c1ccccc1,CID3245088,,,,,0.0,,,0.0,,,,,,,,,
CC12CC(c3ccccc3O1)N(C(=O)c1ccc(Br)o1)C(=O)N2c1ccccc1,CID9550898,,,,,,,,,,,0.0,,,,,,
Cc1cc(Cl)ccc1OC(C)C(=O)NCCCCc1ccccc1,CID3676549,,,,,,,,,,,,,,,0.0,,
Cc1cc(Cl)ccc1OCC(=O)NCCCCc1ccccc1,CID2164052,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C1=C(C)N=c2s/c(=C\C(=O)OC)c(=O)n2C1c1ccc(OC)cc1,CID2927057,,0.0,,,0.0,,,,,,,,,,,0.0,
CCOC(=O)C1=C(C)N=c2sc(=C(C)C)c(=O)n2C1c1ccc(N(C)C)cc1,CID3117844,,,,,,,,,,0.0,,,,,,,
CC(NC(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2,CID2834330,,,,,,0.0,,,,,,,,,,,
COc1cc(OC)cc(C(=O)NC(C(=O)NCCN(C)C)C23CC4CC(CC(C4)C2)C3)c1,CID3000197,,,,,,0.0,,,0.0,,,,,,,,
CCc1ccc(NC(=O)c2ccccc2NC(=O)C2CCCO2)cc1,CID2972957,,,,,,,,,0.0,0.0,,,,,,,
COc1ccc(NC(=O)c2ccccc2NC(=O)C2CCCO2)cc1,CID2973532,,0.0,,,,,,,0.0,,0.0,,,,,,
COc1ccc(CN2CN=C(Nc3nc4ccccc4s3)NC2)cc1,CID2030682,,,,,,,,,,0.0,0.0,,,,,,
c1ccc(CN2CN=C(Nc3nc4ccccc4s3)NC2)cc1,CID946694,,,,,,,,,,0.0,,0.0,,,,,
CCOC(=O)c1sc(C)c2c(=O)n(Cc3ccc(Cl)cc3)cnc12,CID1965285,,,,,,,,,,,,,,0.0,0.0,,
CCOC(=O)c1sc(C)c2c(=O)n(Cc3ccc(Cl)cc3)c(C)nc12,CID998857,,,,,,,,,,,,,,,0.0,,
Cc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)no1,CID1252301,,,,,,,,,,,0.0,,,0.0,0.0,,
Cc1ccc(C(=O)Nc2ccon2)cc1S(=O)(=O)N1CCCCCC1,CID1248982,,,,,,,,,,,0.0,,,0.0,0.0,,
CC(C)(C)NC(=O)Cn1c(SCC(=O)Nc2nccs2)nc2ccccc21,CID3224629,,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1sc(NC(=O)C(CC)Sc2nc3ccccc3[nH]2)nc1C,CID2916341,,,,,,,,,0.0,,,,,,,,
COc1ccc2c(CC(=O)NCc3ccc4c(c3)OCO4)coc2c1,CID2597112,,,,,,,,0.0,,,,,,,,0.0,
Cc1ccc2c(CC(=O)NCc3ccc4c(c3)OCO4)coc2c1,CID2081463,,,,,,,,,,0.0,0.0,,,0.0,,,
CN1CCN(c2ccc([N+](=O)[O-])c(-n3nc(-c4ccccc4)c4ccccc4c3=O)c2)CC1,CID2848343,,,,,,,,,,,,0.0,,,,,
Cc1ccc(C)c(-c2nn(-c3cc(N4CCN(CCO)CC4)ccc3[N+](=O)[O-])c(=O)c3ccccc23)c1,CID2936804,,,,,,,,,,,,0.0,,,,,
Cc1cc(NC(=O)CSc2nnc(C)n2-c2ccccc2)no1,CID2528581,,,,,,,,,,,,,,,0.0,,
Cc1cc(NC(=O)CSc2nncn2-c2ccccc2)no1,CID2572862,,,,,,,,,,,,,,,0.0,,
Cc1noc(C)c1COc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)cc1,CID2125103,,,,,,,,,0.0,,,,,,0.0,,
COc1cc(C(=O)OC(C)C(=O)Nc2ccc3c(c2)OCO3)ccc1OCc1c(C)noc1C,CID5134150,,,,,,,,,,,,,,0.0,,,
CC1Cc2ccccc2N1c1ncnc2c1nnn2Cc1ccccc1,CID652453,,0.0,0.0,,,0.0,0.0,,,,,,,,,,
CC1Cc2ccccc2N1c1ncnc2c1nnn2Cc1ccccc1Cl,CID3228193,,,,,,,,,,,0.0,,,,,,
CC1CCC(NC(=O)c2ccc(CS(=O)(=O)Cc3ccccc3F)o2)CC1,CID3238620,,,0.0,,,,,,,,,,,,,,0.0
O=C(NC1CCCCC1)c1ccc(CS(=O)(=O)Cc2ccccc2F)o1,CID3237220,,,,,,,0.0,0.0,,,,,,,,,
Cc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)c1ccccc1,CID972247,0.0,,,,0.0,,0.0,,,,,,0.0,0.0,,0.0,0.0
Cc1nn(-c2ccc(F)cc2)c(C)c1NS(=O)(=O)c1ccc(Cl)cc1,CID2093597,0.0,,0.0,0.0,0.0,,,,,,0.0,0.0,0.0,,,,0.0
O=C(COc1ccccc1)Nc1ccccc1N1CCN(c2ccc(F)cc2)CC1,CID654853,0.0,0.0,0.0,,,0.0,,,0.0,,,,,,,,0.0
O=C(COc1ccccc1)Nc1ccccc1N1CCN(c2ccccc2)CC1,CID651569,0.0,,0.0,0.0,,,,0.0,,,,0.0,,0.0,,,0.0
COc1cccc(-c2nc(-c3ccc(NC(=O)c4cccs4)cc3)no2)c1,CID1291767,,,,,,0.0,,,,,,,,,,,
COc1ccc(Cl)cc1-c1nc(-c2ccc(NC(=O)c3cccs3)cc2)no1,CID1291552,,,,,,,,,,,,,,,0.0,,
N#Cc1c(/N=C/N2CCCC2)oc(-c2ccccc2)c1-c1ccccc1,CID1356159,0.0,,0.0,,,,,,,,,0.0,,,,,0.0
COc1ccc(-c2oc(/N=C/N3CCCC3)c(C#N)c2-c2ccc(OC)cc2)cc1,CID1342275,,,,,,,,,,,,0.0,,,,,
Cc1ccc(/C=N/Nc2cn[nH]c(=O)c2Cl)cc1,CID2790383,,,,,,,,,,,,,,,0.0,,
COc1ccccc1/C=N/Nc1cn[nH]c(=O)c1Cl,CID2790368,,,,,,,,,,,,,,0.0,0.0,,
O=C(CN1CCN(Cc2ccccc2Cl)C1=O)NCc1ccco1,CID3584887,,,,,,,,,,0.0,,0.0,,0.0,,,
Cc1ccccc1CN1CCN(CC(=O)NCc2ccco2)C1=O,CID3243070,,,,,,,,,,0.0,,,,,,,
CC1CC(NS(=O)(=O)c2cccs2)CC(C)(C)C1,CID3157270,,,,,,,,,,0.0,,,,,,,
O=S(=O)(NC1CCCCC1)c1ccc(Cl)s1,CID894280,,,,,,,,,0.0,,,,,0.0,0.0,0.0,
Nc1nnnn1/N=C/C(Br)=C/c1ccccc1,CID840845,,,,,,,,,0.0,,,,,,,,0.0
Nc1nnnn1/N=C/C=C/c1ccccc1,CID1626862,,,,,,,,,,,0.0,,,,0.0,,
COc1ccccc1OC(C)C(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1,CID2948660,,,,,,0.0,,,,,,,,,,,
O=C(COc1ccccc1)Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1,CID658973,,,,,,,,,,,,,0.0,,,,
C=CCn1c(N)c(C(=O)Nc2ccc(C)c(C)c2)c2nc3ccccc3nc21,CID1884940,,,,,,,,,0.0,,,,,,,,
C=CCn1c(N)c(C(=O)Nc2ccccc2)c2nc3ccccc3nc21,CID659479,,0.0,,,,,,,0.0,,,,,0.0,,0.0,
Cc1ccc(-c2nc(N(C)C3CCN(C)CC3)c3ccccc3n2)cc1,CID822306,,,,,,0.0,,,0.0,0.0,,,,,,,
CN1CCC(N(C)c2nc(-c3ccccc3)nc3ccccc23)CC1,CID725402,,,,0.0,,,0.0,,,,,0.0,,,,,
O=C(Cn1ncc2c(=O)oc3ccccc3c21)N1CCc2ccccc2C1,CID5308712,,,0.0,,,,,,,,,,,,,,
Cc1ccc2oc(=O)c3cnn(CC(=O)N4CCc5ccccc5C4)c3c2c1,CID5307803,,,,,,,0.0,0.0,,,,,,,,,
Cc1ccc2oc(=O)c3cnn(CC(=O)N4CCCc5ccccc54)c3c2c1,CID5308715,,,,,,,,0.0,,,,,,,,,
O=C(Cn1ncc2c(=O)oc3ccccc3c21)N1CCCc2ccccc21,CID3244098,,,,,0.0,,,0.0,,,,,,,,,
CCCN1Cc2cccc(C(=O)Nc3ccc4c(c3)OCCO4)c2C1=O,CID5308717,,,,,,,,,,,,,,,,0.0,
COCCN1Cc2cccc(C(=O)Nc3ccc4c(c3)OCCO4)c2C1=O,CID5307851,,,,,,,,,,0.0,,,0.0,,,,
Cn1c(N2CCN(C(=O)NCc3ccccc3)CC2)nc2ccccc21,CID651770,0.0,0.0,0.0,,,,,0.0,,,,,,,,,
CC(C)n1c(N2CCN(C(=O)NCc3ccccc3)CC2)nc2ccccc21,CID649832,0.0,,0.0,,,,,0.0,,,,,0.0,,,,0.0
CCN1C(=O)C(Cc2nc3ccccc3c(=O)n2-c2ccccc2)c2ccccc21,CID2863063,,,,,,0.0,,,,,,0.0,,,,,
CC(C)N1C(=O)C(Cc2nc3ccccc3c(=O)n2-c2ccccc2)c2ccccc21,CID2863049,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(-n2c(N)c(C(=O)NCc3ccco3)c3nc4ccccc4nc32)cc1,CID1944429,,,,,,0.0,,,,,,,,,,,
COc1ccc(-n2c(N)c(C(=O)NCc3ccco3)c3nc4ccccc4nc32)c(OC)c1,CID664162,,,,,,,,,,,,0.0,,,0.0,,
O=C(Nc1ccccc1)Nc1nnc(CSCc2ccccc2Cl)s1,CID1945591,,,,,,,,,,,,,,0.0,,,
O=C(Nc1ccc(Cl)cc1)Nc1nnc(CSCc2ccccc2)s1,CID1271324,,,,,,,,,,,,,,,0.0,,
Cc1ccc(/C=C/c2nnc(-c3cccc(C)c3)o2)cc1,CID5887472,,,,,,,,,,,,0.0,,,,,
Cc1ccc(/C=C/c2nnc(-c3ccccc3)o2)cc1,CID6089462,,,,,,,,,,,,,,,0.0,,
CC(C)OCCCNC(=O)c1c(N)n(Cc2cccs2)c2nc3ccccc3nc12,CID664687,,,0.0,,0.0,,,0.0,,0.0,,,,,,,
CCCOC(=O)c1c(N)n(Cc2cccs2)c2nc3ccccc3nc12,CID2022793,,,,,,,,,,,0.0,,,,,,
Cn1c(C(=O)N2CCC(C(=O)N3CCC4(CC3)OCCO4)CC2)cc2sccc21,CID3243565,,,,,,0.0,,0.0,,,,,,,,,0.0
CCn1c(C(=O)N2CCC(C(=O)N3CCC4(CC3)OCCO4)CC2)cc2sccc21,CID3241415,,,0.0,,,,,,,,,,,,,,0.0
COc1ccc(CCN2C(=O)c3cccnc3C2=O)cc1OC,CID3243562,,,,,,0.0,,,,,,,0.0,,,,
CCOc1ccc(CCN2C(=O)c3cccnc3C2=O)cc1OCC,CID1508235,,,,,,,,,,,,,,,0.0,,
Cc1cccc(NCN2C(=O)S/C(=C/c3ccccc3Cl)C2=O)c1,CID2252321,,,,,,0.0,,,,,,,,,,,
COc1ccccc1/C=C1/SC(=O)N(CNc2cccc(Cl)c2)C1=O,CID1355355,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(NC(=O)C2CCCN(C(=O)NCc3ccccc3)C2)cc1,CID3222843,,,,,,,,,,,,0.0,,,,,
CCOc1ccccc1NC(=O)C1CCCN(C(=O)NCc2ccccc2)C1,CID647112,0.0,0.0,,,,,0.0,,,,,,0.0,0.0,,0.0,0.0
CC(C(=O)NC(=O)NC1CCCCC1)N1CCN(c2ccccn2)CC1,CID2998706,,0.0,,0.0,,,0.0,,,,,,,,,,0.0
O=C(CN1CCN(c2ccccn2)CC1)NC(=O)NC1CCCCC1,CID2997850,,,0.0,0.0,,,0.0,0.0,,,,,,,,0.0,0.0
CCOc1ncccc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1,CID2998709,0.0,,0.0,,,,0.0,,0.0,,,,0.0,,0.0,,
CCOc1ncccc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1,CID2998704,,,,,,,,,,,,,,,,0.0,0.0
Cc1cccc2cc3c(nc12)S/C(=N\CC1CCCO1)N(Cc1ccco1)C3,CID653192,0.0,,,0.0,0.0,0.0,0.0,,,,,,,,,0.0,
Cc1ccc2nc3c(cc2c1)CN(Cc1ccco1)/C(=N/CC1CCCO1)S3,CID646394,0.0,0.0,,,0.0,,,0.0,,,,0.0,0.0,0.0,0.0,0.0,0.0
O=C(NCCCCNC(=O)c1ccco1)c1ccco1,CID653195,0.0,,,0.0,0.0,,,,,,,,,,,0.0,
Cc1ccc(C(=O)NCCCCNC(=O)c2ccc(C)o2)o1,CID1754370,0.0,,,0.0,0.0,,,0.0,,,,0.0,,,,,0.0
COc1cc2c(cc1OC)C(c1ccc(C)o1)CC(=O)N2,CID2988534,,,,,,,0.0,0.0,,0.0,,,,,,0.0,
COc1cc2c(cc1OC)C(c1ccco1)CC(=O)N2,CID2997055,,,,0.0,,,0.0,0.0,,0.0,,,,,,,
CCn1c(NC(=O)c2cccs2)c(-c2cccs2)c(=O)c2ccccc21,CID667397,,0.0,0.0,,0.0,,,,,,0.0,,0.0,0.0,,,
Cn1c(NC(=O)c2cccs2)c(-c2cccs2)c(=O)c2ccccc21,CID667054,,,0.0,,0.0,0.0,0.0,,,0.0,0.0,,,0.0,0.0,,
Cc1cc(C)c(C)c(S(=O)(=O)ON2C(=O)c3ccccc3C2=O)c1C,CID2238214,,,,,,0.0,,,,,,0.0,,,1.0,,
O=C1c2ccccc2C(=O)N1OS(=O)(=O)c1ccccc1,CID278068,,,,,,,,,,,,,,1.0,,,
CCc1ccc(-c2nc(CN3CCC(C(=O)N4CCN(c5ccccc5)CC4)CC3)c(C)o2)cc1,CID3242611,0.0,,,,,,,,,,,,,,,,
Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC(C(=O)N2CCN(c3ccccc3F)CC2)CC1,CID5309641,,,,,,,,,,,0.0,,0.0,,,,
O=C1CCCc2oc3ccc(NS(=O)(=O)c4cccc5cccnc45)cc3c21,CID1094887,,,,,,,,,,,,,,,0.0,,
CC1(C)CC(=O)c2c(oc3ccc(NS(=O)(=O)c4cccc5cccnc45)cc23)C1,CID1295075,,,,,,,,,,,,,,,0.0,,
Cc1c(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c(=O)n(-c2ccccc2)n1C,CID1094882,,,,0.0,,,,,,,,,0.0,,,0.0,
Cc1c(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c(=O)n(-c2ccccc2)n1C,CID1093439,,,,,,,,,,,,,,,,0.0,0.0
CC(c1ccccc1)N1C(=O)c2ccc(C(=O)NCc3ccco3)cc2C1=O,CID2965892,0.0,,,0.0,0.0,,,0.0,0.0,,0.0,,,,,,
O=C(NCc1ccco1)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O,CID2953991,0.0,,,,,,,,0.0,,0.0,,0.0,,,,
CCN(CC)CCN1C(=O)/C(=N\O)c2ccccc21,CID6407376,,,,0.0,,0.0,,,,,,,,,,,0.0
CCOC(=O)N/N=C1\C(=O)N(CC)c2ccccc21,CID6907715,,,,,,,,,,,,,,0.0,,,
Cc1nn(-c2ccccc2)c2nc(=O)n(-c3ccccc3)cc12,CID645041,,0.0,0.0,0.0,,,,0.0,,,,,,,0.0,,
CCC(CC)C(=O)Nc1c2cnn(-c3ccccc3)c2nc(=O)n1-c1ccccc1,CID3243635,,,,,,0.0,,,,,,,,,,,
CCOC(=O)C1CCCN(Cc2cccs2)C1,CID2838351,,,,,,,,,,0.0,,,,,,,
CCN(CC)C(=O)C1CCCN(Cc2sccc2C)C1,CID2838079,,,,,,0.0,,,,,,,,,,,
Cc1ccnc(NC(=O)c2sc3ccccc3c2Cl)c1,CID698273,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)nc1,CID903387,,,,,,,,,,,,,,0.0,,,
CCC1(CC)NC(=O)N(CC(=O)Nc2sc3c(c2C(N)=O)CCC3)C1=O,CID2081875,,,,,,,,,,,,,0.0,,,,
CCC1(C)NC(=O)N(CC(=O)Nc2sc3c(c2C(N)=O)CCC3)C1=O,CID2998082,,,,0.0,,,,0.0,,,0.0,,,,,,
Cc1cc(C)c2nc(-c3ccccn3)cc(C(=O)NCc3ccco3)c2c1,CID2220531,0.0,0.0,0.0,0.0,,,0.0,0.0,,,0.0,0.0,0.0,,,,
O=C(NCc1ccco1)c1cc(-c2ccccn2)nc2ccccc12,CID757630,0.0,0.0,0.0,,,,0.0,0.0,0.0,0.0,0.0,,,,,,
Cc1cc(C(=O)COC(=O)c2n[nH]c3ccccc23)c(C)n1C,CID2084400,,0.0,0.0,,0.0,,,0.0,0.0,,,,0.0,,,,
COCCn1c(C)cc(C(=O)COC(=O)c2n[nH]c3ccccc23)c1C,CID2540894,,0.0,,,,,,,0.0,,,,0.0,,,,
CC(C)(C)C(=O)/C=c1/[nH]c(=O)/c(=C\c2ccc(C#N)cc2)s1,CID2997624,0.0,,,,,0.0,,,,,,0.0,0.0,,,,
CC(C)(C)C(=O)/C=c1/[nH]c(=O)/c(=C\c2ccc(F)cc2)s1,CID4793983,,,,,,,,,,,,,,,0.0,,
COC(=O)c1c(NC(=O)c2nn(C)cc2Cl)sc2c1CCCC2,CID660359,0.0,0.0,,0.0,0.0,,,,,,,,,,0.0,,0.0
CCOC(=O)c1c(NC(=O)c2ccn(CC)n2)sc2c1CCCC2,CID2056597,,,,,0.0,,,,0.0,,,,,,,0.0,
Nn1c(Cc2cccc3ccccc23)nnc1SCC(=O)NC1CCS(=O)(=O)C1,CID3000040,0.0,0.0,,0.0,,,,,0.0,,,,,,,0.0,0.0
CCN(C(=O)CSc1nnc(Cc2cccc3ccccc23)n1N)C1CCS(=O)(=O)C1,CID4578939,,,,,,,,,,0.0,,,,,,,
CC(CCc1ccccc1)NC(=O)c1cc2sccc2n1C,CID3245980,,,,,0.0,,,,,,,,,,,,
CCn1c(C(=O)NCCCc2ccccc2)cc2sccc21,CID3236641,,,0.0,,0.0,,0.0,,,,,,,,,,
O=C(CN1CCOc2ccccc21)NCc1ccc(Cl)cc1,CID5015283,0.0,,,,,,,,,,0.0,,0.0,,,0.0,
O=C(CN1CCOc2ccccc21)NCc1ccccc1,CID4100810,,0.0,0.0,,0.0,,,,,,,,,,,0.0,
O=C(NCc1cn2ccsc2n1)Nc1ccc(Cl)cc1,CID2999620,,,,,,,,,0.0,,,,,,,0.0,
O=C(NCc1cn2ccsc2n1)Nc1cccc(Cl)c1,CID2997559,,,,0.0,,,,,,,,,,,,,0.0
CSc1nc(C)c2c(n1)N(c1ccc(F)cc1)CC2,CID5196585,,,,,,0.0,,,,,,,,,,,
CSc1nc(C)c2c(n1)N(c1ccc(C(C)C)cc1)CC2,CID3761375,,,,,,0.0,,,,,,,,,,,
Cc1ccc(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)cc1,CID868700,,,,,,0.0,,,0.0,,,,,,,,
COc1ccc(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)cc1OC,CID2220889,0.0,,,,,,,,,,,0.0,0.0,0.0,,,
Cc1cccn2c(=O)c3cc(C#N)c(=O)n(Cc4cccnc4)c3nc12,CID666762,,0.0,0.0,0.0,,0.0,,0.0,,,,,,,,,
N#Cc1cc2c(=O)n3ccccc3nc2n(Cc2cccnc2)c1=O,CID666979,,,0.0,,,,,0.0,,,,,,,,,
Cc1nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)nc2c1C(=O)CCC2,CID667015,0.0,,,,,,,,,,,,0.0,,,,0.0
O=C1CCCc2nc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)ncc21,CID666270,0.0,,,,,,,0.0,,0.0,,,0.0,,,,
CC(=O)Nc1ccc(NC(=O)c2cc(C)nn2-c2ccccc2)cc1,CID3245368,0.0,,,,,,,,,0.0,,,,,,,
Cc1cc(C(=O)Nc2ccccc2C#N)n(-c2ccccc2)n1,CID5308962,0.0,0.0,0.0,,,,0.0,,,,,,,,,,
Cc1cccc2cc(CN(CC3CCCO3)C(=O)c3ccncc3)c(=O)[nH]c12,CID667018,,,0.0,,0.0,,,0.0,0.0,,,,,,0.0,,
Cc1ccc2[nH]c(=O)c(CN(CC3CCCO3)C(=O)c3ccncc3)cc2c1,CID666974,,,,,0.0,,,0.0,0.0,0.0,,0.0,,,,,
CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3o1)=NC21CCCCC1,CID667019,,,0.0,,,,,,,,,,,,,,0.0
O=C1CCCC2=C1C1(CCCCC1)N=C(Nc1nc3ccccc3o1)N2,CID1294862,,,,,,,,0.0,,,,,0.0,,,,
CC1=C(C(=O)Nc2ccccc2)C(c2ccncc2)N2NN=NC2=N1,CID5771397,,0.0,,,,,,,,,,,,,,,
COc1ccccc1NC(=O)C1=C(C)N=C2N=NNN2C1c1ccncc1,CID5711948,,0.0,,,,,,,,,,,0.0,,,,
CCN(CC)CCCN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=O)NC1CCCCC1,CID3194417,,,,,,,,,0.0,,,,,,,,
CCc1ccc2[nH]c(=O)c(CN(CCN(CC)CC)C(=O)NC3CCCCC3)cc2c1,CID651231,,,,,,,0.0,0.0,0.0,,,,0.0,,,,0.0
O=S(=O)(/N=C(\Nc1ccccn1)c1ccccc1)c1ccc(Cl)cc1,CID2177031,,,,,,,,,,,,0.0,,,0.0,,
O=S(=O)(/N=C(\Nc1ccccn1)c1ccccc1)c1ccccc1,CID2140450,,,,,,,,,,,,,,0.0,,,
COc1cccc(C(c2c(O)n(C)c(SC)nc2=O)c2c(O)n(C)c(SC)nc2=O)c1,CID2927397,,,,,,0.0,,,,,,,,,,,
CCCSc1nc(=O)c(C(c2ccc(OC)c(O)c2)c2c(O)n(C)c(SCCC)nc2=O)c(O)n1C,CID3424502,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)OCc3c(C)noc3C)cc2)cc1,CID2126963,,,,,0.0,,,0.0,,,,,,,0.0,0.0,
Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)OCc3c(C)noc3C)cc2)cc1,CID2434650,,0.0,,,0.0,,0.0,,,0.0,,,0.0,,,0.0,
N#CC1=C(N)Oc2c(sc3ccccc23)C1c1ccco1,CID2875329,,,,,0.0,,,,,,0.0,,,,,,0.0
Cc1ccc(C2C(C#N)=C(N)Oc3c2sc2ccccc32)o1,CID2875311,,,,0.0,0.0,0.0,0.0,0.0,,,,,,,,,
CCn1c(=O)n(CC)c2cc(S(=O)(=O)N3CCOCC3)ccc21,CID715100,,0.0,,,,,,0.0,,,,,0.0,,,,
Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCOCC3)ccc21,CID751864,,,,0.0,,,0.0,,,,,,,,,,
COc1ccc(C2C3=C(CC(C)(C)CC3=O)Oc3ncn(Cc4ccco4)c(=N)c32)cc1,CID663649,0.0,,,,0.0,,,,0.0,0.0,,0.0,0.0,,,,
CC1(C)CC(=O)C2=C(C1)Oc1ncn(Cc3ccco3)c(=N)c1C2c1ccccc1,CID664464,0.0,,,0.0,0.0,0.0,,,0.0,0.0,,,,,,,
Cc1cnc(NC(=O)COc2cccc3c2OC(C)(C)C3)s1,CID2102526,,,,,,,,,,,,,,0.0,,,
CC1(C)Cc2cccc(OCC(=O)Nc3nccs3)c2O1,CID2095287,0.0,,,0.0,0.0,0.0,0.0,0.0,,,,0.0,0.0,,,,0.0
Nc1nc(CSc2nnnn2-c2ccc(Cl)cc2)nc(N2CCOCC2)n1,CID1255757,,,,,,,,,,,0.0,,,,,,
Nc1nc(CSc2nnnn2-c2ccc(F)c(Cl)c2)nc(N2CCOCC2)n1,CID1256814,,,,,,,0.0,,,,0.0,,,,,,
Fc1ccc(COc2ccccc2C(=S)N2CCCC2)cc1,CID838528,,,,,,,,,,,,,,,0.0,,
Cc1ccc(COc2ccccc2C(=S)N2CCCC2)cc1,CID962928,,,,,,,,,,,,,,0.0,,,
N#CC1(Nc2ccccc2)CCN(CCc2ccccc2)CC1,CID828001,,,,,,,,0.0,,,,,,,,,0.0
COc1ccc(NC2CCN(CCc3ccccc3)CC2)c(OC)c1,CID783866,,,,,,,0.0,,,,,,,,,,0.0
Cc1sc2c(c1C)c(=O)n(-c1ccccc1)c1nncn21,CID694973,,,,,,,,,,,,,,,,,0.0
Cc1sc2c(c1C)c(=O)n(-c1ccccc1)c1nnc(C)n21,CID800875,0.0,,,,,0.0,,0.0,,,,,,,,0.0,
O=C1CC(c2ccc(F)cc2)Cc2nc(N3CCc4ccccc43)ncc21,CID664334,,0.0,,,,0.0,0.0,,,,,,,,,,0.0
O=C1CC(c2ccccc2)Cc2nc(N3CCc4ccccc43)ncc21,CID663982,,0.0,,,,,0.0,,,,0.0,,,,,,
O=C(CSc1nc(O)c(Cc2ccccc2F)c(=O)[nH]1)N1CCCCCC1,CID3240240,0.0,0.0,,,0.0,,,0.0,,,,,,,,,0.0
COc1ccc(Cc2c(O)nc(SCC(=O)N3CCCCCC3)[nH]c2=O)cc1,CID1073978,,,,,,,,,,0.0,,,,,,,
CCc1nnc(NC(=O)CCC(=O)N2CCN(CCc3ccccc3)CC2)s1,CID664330,,0.0,0.0,0.0,,,,,,,,,,,,,
Cc1nnc(NC(=O)CCC(=O)N2CCN(CCc3ccccc3)CC2)s1,CID664310,,,,,,,,0.0,,,0.0,,,,,,
O=C1CCCC2=C1C1(CCCC1)N=C(Nc1nc3ccccc3o1)N2,CID664331,,,,0.0,,0.0,,0.0,,,,,,,,0.0,
CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3o1)=NC21CCCC1,CID1286615,,,0.0,,,,,,,,,,,,,,0.0
C#CCn1/c(=N/C(=O)CSCC(=O)N2CCOCC2)sc2ccccc21,CID3240245,,,,,0.0,,,,,,,,,,,,
Cn1/c(=N/C(=O)CSCC(=O)N2CCOCC2)sc2ccccc21,CID3237163,,,0.0,,,,,,,0.0,,,0.0,,0.0,,
O=[N+]([O-])c1cccc(NC2=NCCC2)c1,CID2101073,,,,,,,,,,,,,,0.0,0.0,,
FC(F)(F)c1ccccc1NC1=NCCC1,CID2100862,,,,,,,,,,,,,,0.0,,,
CCC1(C)Cc2ccccc2-c2nc3n(c(=O)c21)CC(C(=O)O)S3,CID2885748,,,0.0,,,,0.0,,,,,,,,,,0.0
CCOC(=O)C1Cn2c(nc3c(c2=O)C(C)(C)Cc2ccccc2-3)S1,CID2886387,,,,,,,0.0,0.0,,,,,,,,,0.0
Cc1ccc(C#N)c(SCC(=O)Nc2nccs2)n1,CID1233014,,,,,,,,,,,,,,0.0,,,
CC(=O)c1cc(C#N)c(SCC(=O)Nc2nccs2)nc1C,CID972471,,,,,,,,,,,,,,0.0,,,
COc1ccc(N/C(C)=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)c(OC)c1,CID5389489,,,,0.0,,,0.0,0.0,,,0.0,,0.0,,,,0.0
CC/C(Nc1ccc(OC)cc1OC)=C1/C(=O)NC(=O)N(C2CCCCC2)C1=O,CID5389557,,,,,,,,,,0.0,,,,,,,
Nc1ncc(-c2ccccc2)n1CC1CCCO1,CID649754,,0.0,,,,0.0,,,,,,0.0,,,,0.0,
COc1ccc(-c2cnc(N)n2CC2CCCO2)cc1,CID652466,,,,,,,,,,,0.0,,,,,0.0,
C(=C/c1nnc(-c2cccs2)o1)\c1ccccc1,CID5866333,,,,,,0.0,,,,,,,,,,,
Fc1ccc(/C=C/c2nnc(-c3cccs3)o2)cc1,CID5840375,,,,,,,,,,,,,,,0.0,,
Cc1cccc(-n2c(CNC(=O)COc3ccccc3)nnc2SCC(=O)Nc2nccs2)c1,CID3239438,,0.0,,0.0,,0.0,,,,0.0,,0.0,,,,0.0,
O=C(COc1ccccc1)NCc1nnc(SCC(=O)Nc2nccs2)n1-c1ccccc1,CID4361104,,0.0,0.0,,,,,,,,,,0.0,,0.0,,
CCCc1[nH]nc2c1C(c1cn[nH]c1-c1ccc(F)cc1)C(C#N)=C(N)O2,CID3239433,,,,,,,0.0,,,0.0,0.0,,,,,0.0,
Cc1[nH]nc2c1C(c1cn[nH]c1-c1ccc(F)cc1)C(C#N)=C(N)O2,CID3241463,,0.0,,,,,,,,,,,,,,0.0,
C=C(C)Cn1c(Sc2nnc(C)s2)nc2c1c(=O)[nH]c(=O)n2C,CID665915,,0.0,,,,0.0,,,,0.0,0.0,,,,,0.0,
C=CCn1c(Sc2nnc(C)s2)nc2c1c(=O)[nH]c(=O)n2C,CID645481,,0.0,,,,,0.0,,,0.0,,,,,,0.0,
O=C1CC(c2ccc(S(=O)(=O)NCc3ccccc3)cc2)CN1,CID4361852,,0.0,,,0.0,0.0,,0.0,,,,,,,,,
COc1ccc(CNS(=O)(=O)c2ccc(C3CNC(=O)C3)cc2)cc1,CID2975521,,,,,0.0,,,,,0.0,0.0,,,,,,0.0
Cn1cccc1CC(=O)N/N=C/c1ccccc1,CID761318,,,,,,,,,,,,,,0.0,,,
C/C(=N\NC(=O)Cc1cccn1C)c1ccccc1,CID761325,,,,,,0.0,,,0.0,,,,,,,,
Cc1cc(C(=O)Cn2nnc3ccccc3c2=O)c(C)n1-c1ccccc1F,CID4880800,,,,,,,,,,,0.0,,,,,,
COc1ccc(-n2c(C)cc(C(=O)Cn3nnc4ccccc4c3=O)c2C)cc1,CID2695547,,,,,,,,0.0,0.0,,0.0,,,0.0,,,
Fc1ccc2c(c1)=C(c1ccc(N3CCOCC3)cc1)NN=C(c1cccs1)N=2,CID3169582,,,,,,,,,,,,0.0,,,,,
CC(C)c1ccc2c(c1)=C(c1ccc(N3CCOCC3)cc1)NN=C(c1cccs1)N=2,CID3181519,,,,,,0.0,,,,,,,,,,,
COc1ccc(/C=C(/NC(=O)c2ccc(C)cc2)c2nc3ccccc3[nH]2)cc1OC,CID6037043,,,,,,0.0,,,,,,,,,,,
COc1ccc(/C=C(/NC(=O)c2ccccc2)c2nc3ccccc3[nH]2)cc1OC,CID5334230,,,,,,0.0,,,,,,,,,,,
COc1ccc(Nc2nc(Cl)nc(N3CCN(c4ccc(OC)cc4)CC3)n2)cc1,CID1201760,,,,,,,,,,,,,,,0.0,,
COc1ccc(Nc2nc(OC)nc(N3CCN(c4ccc(OC)cc4)CC3)n2)cc1,CID1339916,0.0,,,,,,,,,,,,,,,,
Cc1ccccc1CS(=O)(=O)CCC(=O)NCCCN1CCN(c2ccccc2F)CC1,CID3244905,,,0.0,,,,,0.0,,,,,,,,,0.0
O=C(CCS(=O)(=O)Cc1ccc(Cl)cc1)NCCCN1CCN(c2ccccc2F)CC1,CID9551395,,,,,,,,,,,0.0,,,,,,
Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)CSc3ccc(Cl)cc3)cc2)CC1,CID979489,,,,,,,,,,,,0.0,,,,,
O=C(CSc1ccc(Cl)cc1)Nc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1,CID2963777,,,,,,,,,,,,,,,0.0,,
Fc1ccc(Cc2nnc(-c3cccs3)o2)cc1,CID5308698,,0.0,,,,,,,0.0,0.0,,,,,,,0.0
Clc1ccc(Cc2nnc(-c3cccs3)o2)cc1,CID857326,0.0,,0.0,,0.0,,,,,0.0,,,,0.0,0.0,,0.0
Clc1ccc(C2CC(c3cccs3)N3NC=NC3=N2)cc1Cl,CID5309346,,,,,,,0.0,,0.0,,,,,,,,
Cc1ccc(C2CC(c3cccs3)N3NC(N)=NC3=N2)cc1,CID5308828,,,,,,,,,,,,,,0.0,,,
CCN1CCN(C(=S)c2ccc(OCC(=O)Nc3ccc(OC)cc3)cc2)CC1,CID2954130,,,,,,,,,,,,0.0,,,,,
CN1CCN(C(=S)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)CC1,CID2954419,,,,,,,,,,,,0.0,,,,,
COCCCn1cc(C(=O)c2cc(OC)ccc2OCC(=O)Nc2cc(C)on2)cc(C#N)c1=O,CID2109647,,,,,,,,,,,,,,,0.0,,
COCCn1cc(C(=O)c2ccccc2OCC(=O)Nc2cc(C)on2)cc(C#N)c1=O,CID2106961,,,,,,,,,,,0.0,,0.0,,,0.0,
COc1cc(C(C(=O)NC(C)(C)C)N(Cc2ccc3c(c2)OCO3)C(=O)c2cnccn2)cc(OC)c1OC,CID3181857,,,,,,,,,0.0,0.0,,0.0,,,,,
CCOCCCNC(=O)C(c1ccc(C)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1cnccn1,CID3244040,,0.0,0.0,,,,,,,,,,,,,,
CCn1nc(CC(=O)Nc2ccc(-n3cnnn3)c(OC)c2)c2ccccc2c1=O,CID1448497,,,,,,,,,,0.0,,,,,,,
CCn1nc(CC(=O)Nc2ccc(-n3cnnn3)c(C)c2)c2ccccc2c1=O,CID646115,,0.0,,,,,0.0,,,0.0,0.0,,,,,,
CN1C(=O)C2(Oc3ccccc3C3CC(c4ccccc4)=NN32)c2ccccc21,CID5143589,,,,,,0.0,,,,,,,,,,,
COc1ccc(C2=NN3C(C2)c2ccccc2OC32C(=O)N(C)c3ccccc32)cc1,CID3710189,,,,,,,,,,,,,,0.0,,,
CC(C)NS(=O)(=O)c1ccc(CCC(=O)NCc2ccncc2)cc1,CID1006973,,,,,,,,,,,,,,0.0,,,
CC(Cc1ccccc1)C(=O)NCc1ccncc1,CID5459548,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1-c1nc(-c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)no1,CID1292146,,,,,,,,,,,,0.0,,0.0,,,
COc1cc(-c2nc(-c3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3)no2)cc(OC)c1OC,CID2203454,,,0.0,,,,,0.0,,,,,,,,,
Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)sc2c1,CID1241119,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1,CID1239093,,,,,,,,,,,,,,0.0,,,
c1ccc(OCCCc2nc(-c3cccnc3)no2)cc1,CID2194880,,0.0,,0.0,,,,,,,,,,,0.0,,
Clc1ccc(OCCCc2nc(-c3cccnc3)no2)c(Cl)c1,CID667111,,,,,,0.0,,,,,,,,,,,
CCNC(=O)N1CCNC(=O)C1CC(=O)OC,CID2954797,,,,0.0,,,,,,,,0.0,,,,,
COC(=O)CC1NCCNC1=O,CID2998378,,0.0,,,0.0,,,0.0,,,,,0.0,,,,
COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(O)cc1,CID2270417,,,,,,0.0,,,,,,,,,,,
CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cccc(OC)c1O,CID1918029,,,,,,0.0,,,,,,,,,,,
CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)Nc2cccnc2)cc1,CID1107766,,,,,,,,,,,0.0,,,,,,
CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)Nc2cccnc2)cc1,CID1357871,,,,,,,,,0.0,,0.0,0.0,,,,,
CCN(CC)c1ccc2oc(=O)c(C)nc2c1,CID829764,,,,,,,0.0,,,,,0.0,,,,0.0,
CS(=O)(=O)Cc1nc2ccccc2oc1=O,CID652987,,,,,,,,,0.0,,,,,,,,
O=C(Nc1cc(=O)nc2nc[nH]n12)c1ccccc1,CID1956566,,,,,,,,,,,,0.0,,,0.0,,
O=C(Nc1cc(=O)nc2nc[nH]n12)c1ccccc1Cl,CID666653,0.0,,,,,,0.0,,,,,,0.0,,0.0,0.0,
Cc1ccc(C(=O)Oc2ccc3c(c2)ncn3C)cc1,CID2999977,0.0,,,,0.0,,,,0.0,0.0,,,0.0,,,,0.0
Cn1cnc2cc(OC(=O)c3ccccc3)ccc21,CID2310813,0.0,,,0.0,,,,,0.0,0.0,,,,0.0,0.0,0.0,
CN1CCN(S(=O)(=O)c2ccc(N(C)CC(=O)Nc3ccc(F)cc3)nc2)CC1,CID2999973,,,,,,,,,,0.0,0.0,,0.0,,,,
Cc1ccc(NC(=O)CN(C)c2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cc1,CID3000121,,0.0,,0.0,,,,0.0,,,,,,,,,
Cc1ccc2nsnc2c1NS(=O)(=O)c1c(C)ccc2nsnc12,CID646231,,,,,0.0,,,,,,,0.0,,,,,
Cc1ccc2nsnc2c1S(=O)(=O)Nc1cccc2nsnc12,CID653855,,,,,0.0,,,,,,,,,,,,
Cc1ccc(C(=O)C(C)OC(=O)C2CC(=O)N(C3CCCCC3)C2)cc1,CID646233,,,,,,,0.0,,,,,,,,0.0,,
O=C(COC(=O)C1CC(=O)N(C2CCCCC2)C1)c1ccc(F)cc1,CID3800152,0.0,,0.0,,,,,0.0,,,0.0,,0.0,,,,
CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)Cc2ccco2)cc1,CID646235,,,,,0.0,,,,,,,,,,,,
Cc1cccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C)Cc2ccco2)c1,CID2524729,,,,,,,,,,,0.0,,,,,,
COc1ccc(-n2cnnc2SCC(=O)N(C)C2CCS(=O)(=O)C2)cc1,CID2999358,,,,,0.0,0.0,,,,0.0,0.0,,,,,0.0,
COc1ccc(-n2cnnc2SCC(=O)NC2CCS(=O)(=O)C2)cc1,CID3998916,,,,,,,,,,0.0,,,,,,,
Cc1ccc(SCC(=O)NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1C,CID2441931,,,,,,,,,,,,,,0.0,,,
O=C(CSc1cccc(C(F)(F)F)c1)NC(=O)c1ccccc1,CID2562584,,,,,,,,,,,,,,0.0,,,
Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)c1ccc(C(C)C)cc1,CID5307328,,,0.0,,,,,,,,,,,,,0.0,
COc1ccc(N(CC(=O)Nc2ccc3c(c2)OCO3)S(=O)(=O)c2c(C)nn(C)c2C)cc1,CID5308377,,,,,,,0.0,,,,,0.0,,,,,
O=C(Cn1cc2c(n1)CCCC2)N1CCc2ccccc21,CID5307321,,0.0,,,,,,,,,,,0.0,0.0,,0.0,
CC1CCc2nn(CC(=O)N3CCc4ccccc43)cc2C1,CID9551373,,,,,,0.0,,,,0.0,,,,,,,
c1ccc(Nc2nc(N3CCNCC3)nc(N3CCOCC3)n2)cc1,CID778083,,,,,,,,,,,,0.0,,,,,
CN1CCN(c2nc(Nc3cccc(C(F)(F)F)c3)nc(N3CCOCC3)n2)CC1,CID3236802,0.0,,,,,,,,,,,,,,,,
CCOC(=O)N1CCC(NC(=O)Cn2c3ccccc3c3cn[nH]c(=O)c32)CC1,CID3242797,,0.0,,0.0,,,,,,,,,,,,,
CCOC(=O)N1CCC(NC(=O)C(C)n2c3ccccc3c3cnn(C)c(=O)c32)CC1,CID3243657,0.0,,,,,,,,,,,,,,,,
O=c1nc[nH]c2cc(-c3ccccc3)sc12,CID661437,,0.0,,0.0,0.0,,,,,,,,,,,,
COc1ccc(-c2cc3[nH]cnc(=O)c3s2)cc1,CID754900,,,,,,,,,,,,,,,0.0,,
O=S(=O)(NC1=NCCC1)c1ccc(F)cc1,CID2321602,,,,,,0.0,,,,,,,,,,,
Cc1ccc(S(=O)(=O)NC2=NCCC2)cc1,CID2332383,,,,,,,0.0,,,0.0,,,0.0,,,,
Cc1ccccc1C(=O)Nc1ccccc1C(=O)N1CCCCC1,CID737732,,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccccc1Cl,CID724174,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-n2nc(C)c(C3(O)C(=O)N(C)c4ccccc43)c2N)cc1,CID4077311,,,,,,,,,,,,,,0.0,,,
Cc1ccc(-n2nc(C)c(C3(O)C(=O)N(C(C)C)c4ccccc43)c2N)cc1,CID3556464,,,,,,,,,,,,,,0.0,,,
C=CCN1C(=O)/C(=C\c2cccc(OC)c2)S/C1=N\c1ccccc1,CID1350402,,,,,,0.0,,,,,,,,,,,
C=CCN1C(=O)/C(=C\c2ccc(OC)cc2)S/C1=N\c1ccccc1,CID1352611,,,,,,0.0,,,,,,,,,,,
CC1(C)C(=O)OC(c2cccc([N+](=O)[O-])c2)C2(CCCCC2)C1=O,CID2927408,,,,,,,,,,,,,,,0.0,,
CC1(C)C(=O)OC(c2c(F)c(F)c(F)c(F)c2F)C2(CCCCC2)C1=O,CID2946497,,,,,,,,,,,,,,,,,0.0
CCOC(=O)N1CCN(C(=O)c2ccc3c(=O)n(CCC4=CCCCC4)c(=O)[nH]c3c2)CC1,CID3237084,0.0,,0.0,,,,,,0.0,,0.0,,,,,,
CCN1CCN(C(=O)c2ccc3c(=O)n(CCC4=CCCCC4)c(=O)[nH]c3c2)CC1,CID3237783,,,0.0,,,,,0.0,,,,0.0,,,,,0.0
Cc1occc1C(=O)NCCCc1ccccc1,CID2165345,,,,0.0,,,,0.0,,,0.0,,0.0,,,,
Cc1occc1C(=O)NC(C)CCc1ccccc1,CID2933467,,,,,,0.0,,0.0,0.0,0.0,0.0,,0.0,,,0.0,0.0
COc1ccc2c(c1)/C(=N/OC(=O)c1cccs1)CCC2,CID684104,,,,,,,,,,,,,,0.0,,,
O=C(O/N=C1\CCCc2ccccc21)c1cccs1,CID1482813,,,,,,,,,,,,,,0.0,,,
COc1ccc(N2CCN(C(=O)C34CCC(C)(C(=O)C3)C4(C)C)CC2)cc1,CID2927713,,,,,0.0,,,,,,,,,,,,
CC12CCC(C(=O)N3CCN(c4ccccc4)CC3)(CC1=O)C2(C)C,CID661190,,,,0.0,,,,0.0,,,0.0,,0.0,,,,
CN1CCC(NC(=O)c2cccs2)CC1,CID1245731,,0.0,,,0.0,,0.0,0.0,,,,,,,0.0,0.0,
CCc1sc(C(=O)NC2CCN(C)CC2)cc1Br,CID1247737,0.0,,,,,,0.0,,0.0,,0.0,,,0.0,,0.0,0.0
CC1CCN(CCNC(=O)c2ccc3c(=O)n(CCc4ccccc4)c(=O)[nH]c3c2)CC1,CID3244308,,,,,,,,,,,,,0.0,,,0.0,0.0
CC1CCCCN1CCNC(=O)c1ccc2c(=O)n(CCc3ccccc3)c(=O)[nH]c2c1,CID3243419,,0.0,,,,,0.0,,0.0,,,,,,,,0.0
CC(C)(C)C1CCc2onc(C(=O)Nc3cccnc3)c2C1,CID3244307,,0.0,,,0.0,,0.0,0.0,,,,,0.0,,0.0,,
O=C(Nc1cccnc1)c1noc2c1CCCC2,CID3242844,,0.0,,,,,,,0.0,,,,,,,,
CC(=O)c1ccc(NC(=O)CSc2nccn2CCc2ccccc2)cc1,CID575169,,,,,,,,,,,0.0,,,,,,
N#Cc1ccccc1NC(=O)CSc1nccn1CCc1ccccc1,CID2972278,,,,0.0,0.0,,0.0,,,,,,,,,,0.0
Cc1c(NS(=O)(=O)c2cccs2)c(=O)n(-c2ccccc2)n1C,CID647888,0.0,,,,0.0,,0.0,,0.0,0.0,,,0.0,,,,
Cc1c(NS(=O)(=O)c2ccc(Br)s2)c(=O)n(-c2ccccc2)n1C,CID989263,,,,,,,,,0.0,,,,,,,0.0,
CCCn1cc(NC(=O)C2CC(c3cccc(Br)c3)=NO2)cn1,CID2962251,,,,,,,0.0,,0.0,,0.0,,,,0.0,0.0,
CC(C)n1cc(NC(=O)C2CC(c3cccc(Br)c3)=NO2)cn1,CID3158076,,,,,,,,,0.0,,0.0,0.0,,,,,
C/C(CC(=O)Nc1ccccn1)=N\NC(=O)C(=O)Nc1ccccc1C,CID3101292,,,,,,,,,,,,,,,0.0,,
COc1ccccc1NC(=O)C(=O)N/N=C(\C)CC(=O)Nc1ccccn1,CID3101296,,,,,,,,,,,,,,0.0,,,
Cc1[nH]c2c(C)cccc2c1CCNC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O,CID3632372,,,,,,0.0,,,,,,,,,,,
Cc1[nH]c2ccccc2c1CCNC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O,CID3982636,,,,,,0.0,,,,,,,,,,,
Cc1cc(C)nc(Nc2n[nH]c(COc3ccccc3)n2)n1,CID935375,,0.0,,,,,,0.0,,0.0,,,,,0.0,,
Cc1cc(C)nc(Nc2n[nH]c(COc3ccc(Cl)cc3)n2)n1,CID666091,0.0,,0.0,,,,0.0,,,,,,,,0.0,,0.0
Cc1cccc(C)c1N1CCc2cn[nH]c21,CID685673,,,,,,0.0,,,,,,0.0,,,,,
FC(F)(F)c1cccc(N2CCc3cn[nH]c32)c1,CID659696,,,,,,,,,0.0,,,,,,,,0.0
C=CCN(C(=O)CN1CCOCC1)c1nc(C)c(-c2ccccc2)s1,CID2426621,,,0.0,,0.0,,,,,,0.0,,0.0,,,0.0,0.0
Cc1nc(NC(=O)CN2CCOCC2)sc1-c1ccccc1,CID3000061,,0.0,,,0.0,,,,,,0.0,,,,,,
CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1-c1ccncc1,CID3137491,,,,,,,,,,,,0.0,,,,,
COCCCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1-c1ccncc1,CID3170514,,,,,,,,,,0.0,,0.0,,,,,
CCOc1ccccc1N1C(=O)c2ccc(C(=O)Nc3cccnc3)cc2C1=O,CID4136905,,,,,,,,,,,,,0.0,,0.0,,
Cc1ccc(N2C(=O)c3ccc(C(=O)Nc4cccnc4)cc3C2=O)c(C)c1,CID1329429,,,,,,,,,0.0,0.0,,0.0,,0.0,,,
O=c1cc(CO)oc(C(Nc2ccccn2)c2ccccc2F)c1O,CID4172399,,,,,0.0,,,,,,0.0,,,,,,
O=c1cc(CO)oc(C(Nc2ccccn2)c2ccc(F)cc2)c1O,CID3855313,,,,,,,,,,,,0.0,,,,,
COc1ccccc1CN1CC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1=O,CID3239920,0.0,,,,,,,,,,0.0,,,,,,
CC(c1ccccc1)N1CC(C(=O)N2CCN(c3ccccc3)CC2)CC1=O,CID3594496,0.0,,,,,0.0,,,,,,,,,,,
CCOc1ccc(C(=O)NCC(=O)OCC(=O)N2CCCCC2)cc1,CID2436420,,,,,,,,,,,,,,0.0,,,
CCOc1ccccc1C(=O)NCC(=O)OCC(=O)N1C(C)CCCC1C,CID2999500,,,,,,,0.0,,,,,,,,,,
O=c1cccc2n1CC1CC2CN(C(c2cccc(F)c2)c2sc3ncnn3c2O)C1,CID5122224,0.0,,,0.0,,,,,,,,,0.0,,,0.0,
O=c1cccc2n1CC1CC2CN(C(c2ccccc2)c2sc3ncnn3c2O)C1,CID4106465,,,,,,,,,,,,,0.0,,,0.0,
CCC(C)(C)n1nnnc1C(c1ccccc1)N1CCN(C2CCCC2)CC1,CID3209096,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C(c2nnnn2C(C)(C)C)N2CCN(C3CCCC3)CC2)cc1,CID656049,,0.0,0.0,,,,,,0.0,,,,,,,,
CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccccn3)c2C)C1=O,CID1721844,,,,,,,,,,,,,,0.0,,,
COC(=O)C(C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccccn3)c2C)C1=O,CID5738010,,,,,,0.0,,,,0.0,,,,,,,
COc1ccc(OCC(=O)OC(C)CN2CCOCC2)cc1,CID2928104,,,,,,,,,,0.0,,,,,,,
CC(CN1CCOCC1)OC(=O)COc1ccc(F)cc1,CID649208,,,,0.0,,0.0,,0.0,,,,,,,,,
Cc1cccc(NC(=O)CCSc2nnc(Cc3ccccc3)o2)c1,CID992164,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC(=O)CCSc2nnc(Cc3ccccc3)o2)cc1,CID992163,,,,,,,,,,,,,,0.0,,,
O=C(CCCOc1ccccc1)Nc1ccc2c(c1)OCCO2,CID1570003,,,,,,,0.0,,,,0.0,0.0,,,0.0,0.0,
COc1ccc(OCCCC(=O)Nc2ccc3c(c2)OCCO3)cc1,CID2709620,,,0.0,,,,0.0,0.0,,,,,,,,0.0,0.0
COc1ccccc1-c1c(NC(=O)c2ccco2)n(-c2ccccc2)nc(C)c1=O,CID667199,0.0,,,0.0,,,,,0.0,0.0,0.0,0.0,,0.0,,,
COc1cccc(-c2c(NC(=O)c3ccco3)n(-c3ccc(C)cc3)nc(C)c2=O)c1,CID667324,0.0,,,,0.0,,,0.0,0.0,0.0,0.0,0.0,,,,,
O=C(Nc1ccc(Cl)cc1C(=O)N1CCOCC1)c1ccco1,CID891975,,,,0.0,,,,,,,,,0.0,,0.0,0.0,0.0
O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccco1,CID722997,,,,,,,,,,,,,0.0,,,,
COc1cc(NC(=O)c2ccco2)c(OC)cc1NC(=O)CSc1nnc(-c2cccs2)n1C,CID646878,,0.0,,,,0.0,,,0.0,0.0,,0.0,,,,0.0,0.0
CCn1c(SCC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)nnc1-c1cccs1,CID3207162,,,,,,,,,0.0,,0.0,,,,,,
Cc1ccccc1Nc1nc(Nc2ccccc2C)nc(SC2=NCCS2)n1,CID1114757,,,,,,,,,,0.0,,0.0,,,,,
Cc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(SC3=NCCS3)n2)cc1,CID1114756,,,,,,,,,,,0.0,0.0,,,,,
COc1ccccc1CNC(=O)COC(=O)C1=COCCO1,CID2338011,,,0.0,0.0,0.0,,,,,0.0,,,,,,,
COc1ccc(CNC(=O)COC(=O)C2=COCCO2)cc1,CID2094679,,,,,,,,,,0.0,0.0,,,,,,
Cc1csc2ncc(C(=O)N(Cc3ccccc3)c3ccccn3)c(=O)n12,CID4215766,,,,,,,,,,,0.0,,,,,,
O=C(c1cnc2sccn2c1=O)N(Cc1ccccc1)c1ccccn1,CID3587532,0.0,0.0,0.0,,,,,0.0,,,,,,,,0.0,
CCOC(=O)c1c(NC(=O)c2cc(C3CC3)on2)sc(C(C)=O)c1C,CID5309894,,,,,,,,0.0,,,,,,,,,
CCc1c(C)sc(NC(=O)c2cc(C3CC3)on2)c1C#N,CID5307447,0.0,,0.0,,,0.0,,0.0,,,,,,,,0.0,
CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)c2ccco2)cc1,CID1176444,,,,,,,,,0.0,,,0.0,,,,,
COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccco2)cc1OC,CID648584,,,,,,,,,0.0,0.0,,,,,0.0,,0.0
Cc1cc(C)n(CC(=O)N/N=C/c2ccccn2)n1,CID937365,,,,,,,,,,,,,,,0.0,,
Cc1cccc(/C=N/NC(=O)Cn2nccc2C)n1,CID728558,,,,,,,,,,,,,,,0.0,,
CCC(C(=O)Nc1nnc(-c2ccco2)s1)c1ccccc1,CID665760,0.0,,,,0.0,,0.0,,,,0.0,,,,0.0,0.0,
O=C(Cc1ccccc1)Nc1nnc(-c2ccco2)s1,CID597406,0.0,0.0,,0.0,0.0,,0.0,,,,,,0.0,,,0.0,0.0
CC(C)(C)C1=Nn2c(nnc2-c2n[nH]c3c2CCC3)SC1,CID665761,,0.0,,0.0,,,,,,,,,,,,,
CC1=Nn2c(nnc2-c2n[nH]c3c2CCC3)SC1,CID665766,,,,0.0,0.0,,,,,,,,,,,,
CC1CCc2nc(N)c(C#N)c(-c3ccncc3)c2C1,CID665768,,,,0.0,,,,0.0,,,,0.0,,0.0,,0.0,
N#Cc1c(N)nc2c(c1-c1ccncc1)CCCC2,CID662877,,0.0,0.0,0.0,,,,,,,,0.0,,,,0.0,
O=C(CSc1nn(-c2ccc(Cl)cc2)c(=S)s1)N1CCN(C(=O)c2ccco2)CC1,CID2525820,,,,,0.0,,0.0,,0.0,,,,,,,,
O=C(CSc1nn(-c2ccc(F)cc2)c(=S)s1)N1CCN(C(=O)c2ccco2)CC1,CID2667960,,,,,0.0,,,,0.0,,,,,,,,
COc1cccc(/N=c2\oc3ccc(OC)cc3cc2-c2nc3ccccc3[nH]2)c1,CID1212122,,,,,,,,,,,,1.0,,,,,
COc1cccc(/N=c2\oc3ccccc3cc2-c2nc3ccccc3[nH]2)c1,CID1212115,,,,,,,,,,,,0.0,,,,,
COc1cc(-c2nnc(-c3ccc(N4CCOCC4)cc3)o2)cc(OC)c1OC,CID646780,0.0,0.0,,,0.0,,0.0,,,,,0.0,,0.0,,,
COc1ccccc1-c1nnc(-c2ccc(N3CCOCC3)cc2)o1,CID855499,,,,,,,,,,,0.0,0.0,,0.0,,,
O=C(C1CCCCC1)N1CCC(c2nc3n(Cc4ccccc4Cl)[nH]nc-3c(=O)n2)CC1,CID650875,,,0.0,,,,0.0,,,,0.0,,,,,,
O=C(C1CCCCC1)N1CCC(c2nc3n(Cc4c(F)cccc4Cl)[nH]nc-3c(=O)n2)CC1,CID654466,,,,,,,0.0,,,,,,,,,,
OC(COc1ccc2cc(Br)ccc2c1)CN1CCOCC1,CID2951105,,,,,,,,,,,0.0,0.0,,,,,
OC(COc1ccc2ccccc2c1Cl)CN1CCOCC1,CID645174,0.0,0.0,0.0,0.0,,,,,,,,,0.0,,,0.0,
Nc1nc2ccc(C(=O)Nc3ccccc3)cc2s1,CID644786,,,,0.0,,,,,,,0.0,,,,,,0.0
CCc1ccc(NC(=O)c2ccc3nc(N)sc3c2)cc1,CID2523310,,,,,,,,,,,0.0,,,,,,
O=C(NCCC1=CCCCC1)C1CCN(C(=O)Nc2ccccc2)CC1,CID644782,0.0,0.0,0.0,0.0,,,0.0,,,,,0.0,,,,,0.0
Cc1ccc(NC(=O)N2CCC(C(=O)NCCC3=CCCCC3)CC2)cc1,CID650464,0.0,,0.0,,,,,0.0,,0.0,,0.0,,,,,
CCCCn1nnnc1SCC(=O)Nc1cccc(C)n1,CID644780,,,,,0.0,,,,,,,,,,,,0.0
CCn1nnnc1SCC(=O)Nc1cccc(C)n1,CID651022,,0.0,0.0,,0.0,,,,,,,,0.0,,,,
COCCNC(=O)C1CC(=O)N(C2CCCCC2)C1,CID2988340,,0.0,,0.0,,,,,,0.0,,,0.0,,,,
CCCCNC(=O)C1CC(=O)N(C2CCCCC2)C1,CID3236135,,,0.0,,0.0,,,,,0.0,0.0,,,,,,
Cc1cc(NC(=O)CCn2c(=O)sc3ccccc32)no1,CID767833,,0.0,,0.0,,,,0.0,,,0.0,0.0,,,,0.0,0.0
O=C(CCn1c(=O)sc2ccccc21)Nc1ccon1,CID3239589,0.0,0.0,,,,,,0.0,,0.0,,0.0,,,,0.0,
CCOc1ccc(N2C(=O)NC(Cc3c[nH]c4ccccc34)C2=O)cc1,CID2947374,,,,,,,0.0,0.0,0.0,,0.0,0.0,,0.0,,,
O=C1NC(Cc2c[nH]c3ccccc23)C(=O)N1c1ccc(F)cc1,CID2931585,,,,,,,,,,,,0.0,,,,,
Cc1cccc2cc(CN(CCc3ccccc3)C(=O)N3CCOCC3)c3nnnn3c12,CID649499,0.0,0.0,,,,,,,,0.0,,0.0,,,,,
Cc1ccc2c(c1)cc(CN(CCc1ccccc1)C(=O)N1CCOCC1)c1nnnn12,CID652498,0.0,,,0.0,,0.0,,,,0.0,,,,,,,
O=C(CN(Cc1ccccc1)C(=O)CCC(=O)Nc1nccs1)NCc1ccco1,CID649497,,,,,0.0,,,,,,,,,,,,0.0
COc1ccc(CN(CC(=O)NCc2ccco2)C(=O)CCC(=O)Nc2nccs2)cc1,CID651341,,,,0.0,0.0,,,,,,0.0,,0.0,,,,
CN1CCN(C(=O)CCc2nc(-c3ccc(Cl)cc3)no2)CC1,CID1249748,,,,,,,,,,,,,,,0.0,,
COc1ccc(-c2noc(CCC(=O)N3CCN(C)CC3)n2)cc1,CID3721923,,,,,,,,,,,0.0,,,,,,
COc1ccc(NC(=O)N2CCN(c3nc(-c4cccc(OC)c4)cs3)CC2)cc1,CID647479,0.0,0.0,,,,,,,,,,0.0,0.0,,,,0.0
COc1cccc(-c2csc(N3CCN(C(=O)Nc4ccccc4OC)CC3)n2)c1,CID651034,0.0,0.0,,,,,,,,,,,,,,,
CCCn1c(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)nc2ccccc21,CID2999625,0.0,0.0,,,0.0,,0.0,,0.0,,0.0,,,,,0.0,0.0
O=C(Nc1nc2ccccc2[nH]1)C1CCN(S(=O)(=O)c2cccs2)CC1,CID2558233,,,,,,,,,,,,,,0.0,,,
CCc1ccccc1NC(=O)CN(C)C(=O)CN1C(=O)NC2(CCCCCC2)C1=O,CID2578515,,,,,,,,,,,,,,,,,0.0
Cc1cc(Br)ccc1NC(=O)CNC(=O)CN1C(=O)NC2(CCCCCC2)C1=O,CID2578429,0.0,,,,,,,,0.0,,,,,,,,0.0
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc[nH]c3=O)c2C)cc1C,CID2565369,,,,,,,,,,,,,,0.0,,,
Cc1cc(C(=O)COC(=O)c2ccc[nH]c2=O)c(C)n1-c1ccccc1,CID2534587,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)n(S(=O)(=O)c2ccc3ccccc3c2)n1,CID702520,,,,,,,0.0,,,,,0.0,0.0,,0.0,,
Cc1ccc2ccc(S(=O)(=O)n3nc(C)cc3C)cc2c1,CID804693,,,,,,,0.0,,,,0.0,,,0.0,,,
O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccco1,CID960831,,,,0.0,,,,0.0,,,0.0,0.0,0.0,,,,
O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccc(Br)o1,CID1161055,,,,,,,0.0,,0.0,,,0.0,,,,0.0,0.0
O=[N+]([O-])c1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1,CID1263893,,,,,,,,,,,,,,0.0,,,
CCCC(=O)Nc1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1,CID3159097,,,,,,,,,,,,,,,0.0,,
COCc1cc(=O)nc(Sc2c(-c3ccccc3)c3ccc(Cl)cc3[nH]c2=O)[nH]1,CID1223659,,,,,,,,,,,,,,,0.0,,
Cc1cc(=O)nc(Sc2c(-c3ccccc3)c3ccccc3[nH]c2=O)[nH]1,CID1319515,,,,,,0.0,,,,,,,,,,,
Cc1cnc(NC(=O)C2CCCO2)s1,CID2971267,,,,,,,,,,,,,0.0,,0.0,,
Cc1csc(NC(=O)C2CCCO2)n1,CID2998736,,0.0,,,,,,,,,,,0.0,,,,
O=C(Nc1nc2c(s1)CCc1ccccc1-2)c1ccco1,CID701070,,,0.0,,,,,,,,,0.0,0.0,,,,0.0
COc1ccc2c(c1)-c1nc(NC(=O)c3ccco3)sc1CC2,CID653956,,,,,0.0,,,0.0,,,0.0,,,0.0,0.0,,0.0
CC(C)n1c(SC2CCOC2=O)nc2ccccc21,CID2998904,,,,,,,,,,,,,0.0,,,,
O=C1OCCC1Sc1nc2ccccc2[nH]1,CID2997794,,0.0,,,0.0,,,0.0,,,,,,,,,0.0
COc1cc2[nH]c(=S)n(Cc3ccccc3)c(=O)c2cc1OC,CID866376,,,,,,,,,,,,,,0.0,,,
CCOc1cc2[nH]c(=S)n(Cc3ccc(C(=O)NCC(OC)OC)cc3)c(=O)c2cc1OCC,CID4154672,,,,,,0.0,,,,,,0.0,,,,,
CCn1c2ccccc2c2nnc(SCC(=O)Nc3ncccn3)nc21,CID3238208,,0.0,,0.0,0.0,,,,,,0.0,,0.0,,,,
CCCn1c2ccccc2c2nnc(SCC(=O)Nc3ncccn3)nc21,CID3238777,,0.0,,0.0,0.0,,,,,,,,,,,,
Nc1c(C(=O)N2CCCCC2)sc(=S)n1-c1ccccc1,CID866378,,0.0,0.0,,,,,,0.0,0.0,,,,,0.0,,
Cc1ccc(-n2c(N)c(C(=O)N3CCCCC3)sc2=S)cc1,CID2187510,,0.0,0.0,0.0,1.0,,,,0.0,,,,0.0,0.0,,,
COc1cccc(CNC(=O)c2cc3ccccn3n2)c1,CID5309681,0.0,,,,,0.0,,0.0,,,,,,,,,
O=C(NCc1ccc(F)cc1)c1cc2ccccn2n1,CID5308800,,,,,,,,0.0,,,,,,,,,
CCOC(=O)c1oc2ccc(S(=O)(=O)n3nc(-c4ccc(OC)cc4)cc3N)cc2c1C,CID5309682,,,,,,,,0.0,,0.0,,,,,,,
CCOC(=O)c1oc2ccc(S(=O)(=O)n3nc(-c4ccccc4)cc3N)cc2c1C,CID9550105,,,,,,,,,,0.0,0.0,,,,,,
COc1ccc(OCCNS(=O)(=O)c2ccc3oc4ccccc4c3c2)cc1,CID2059917,,,,,,0.0,,,,,,,,,,,
CN(CCOc1ccccc1)S(=O)(=O)c1ccc2oc3ccccc3c2c1,CID2295500,,,,,,,,,,,,,,0.0,,,
Cc1cccc(OCc2nc(=O)cc(C)[nH]2)c1,CID657580,,0.0,0.0,,,,,0.0,,,0.0,0.0,,,,,
Cc1cc(=O)nc(COc2ccccc2)[nH]1,CID657601,,,,,,,,,,0.0,,,,,,0.0,
COC(=O)c1c(N)c(C#N)c2n1CCCCC2,CID657582,,0.0,,0.0,,,,0.0,,,,0.0,0.0,,0.0,,
CCOC(=O)c1c(N)c(C#N)c2n1CCCCC2,CID741282,,0.0,0.0,,,,0.0,,,,,0.0,,,,,0.0
Cc1ccc(C)c(N2CCN(C(=O)C3CCCCN3S(=O)(=O)c3ccc(F)cc3)CC2)c1,CID9550339,,,,,,,,,,0.0,,,,,,,
O=C(C1CCCCN1S(=O)(=O)c1ccc(F)cc1)N1CCN(c2ccccc2F)CC1,CID5309562,0.0,,,,,,,0.0,,,,0.0,,,,,
CC1=NOC(=O)/C1=C\c1ccc(-c2cccc(Cl)c2)o1,CID9550331,,,,,,0.0,,,,,,,,,,,
CC1=NOC(=O)/C1=C\c1ccc(-c2cc(Cl)ccc2Cl)o1,CID5733602,,,,,,,,,,,,0.0,,,,,
CCOc1nc(SC(C(C)=O)C(=O)Nc2ccccc2)nc(N(C)C)n1,CID658396,,0.0,0.0,,,,,,0.0,,,,,,,,0.0
CC(=O)C(Sc1nc(N(C)C)nc(N(C)C)n1)C(=O)Nc1ccccc1,CID2946449,,,,,,,,,,,,,,0.0,,,
O=C(OCC(=O)c1c[nH]c2ccccc12)c1ccc([N+](=O)[O-])s1,CID2472581,,,,,,,,,,,,,,0.0,0.0,,
CCc1cccc2c(C(=O)COC(=O)c3ccc([N+](=O)[O-])s3)c[nH]c12,CID2499208,,,,,,,,,,,,,,0.0,0.0,,
O=C(CCN1C(=O)C2C3C=CC(C3)C2C1=O)NCCc1ccccc1Cl,CID3236430,,0.0,,0.0,,,,,,,,,,,,,0.0
O=C(CCN1C(=O)C2C3C=CC(C3)C2C1=O)NCCc1ccccc1,CID3243722,,,,,,,0.0,0.0,,,0.0,,,,,,
O=C(c1ccc2snnc2c1)N1CCCCC1,CID738381,,,,,,,,,,0.0,,,,,0.0,,
CCOC(=O)C1CCN(C(=O)c2ccc3snnc3c2)CC1,CID652140,,0.0,,,,,0.0,0.0,0.0,,,,,,,0.0,
CCCC[n+]1ccn(C2=C([O-])c3ccccc3C(=O)/C2=N\S(=O)(=O)c2ccccc2)c1,CID9551686,,,,,,,,,,,0.0,,,,,,
Cc1ccc(S(=O)(=O)/N=C2\C(=O)c3ccccc3C([O-])=C2n2cc[n+](CCC(C)C)c2)cc1,CID9551839,,,,,,0.0,,,,,,,,,,,
COc1cc2c(cc1OC)CN(Cc1ccc(C)s1)CC2,CID782442,,,,,,0.0,,,,,,,,,,,
COc1cc2c(cc1OC)CN(Cc1cccs1)CC2,CID2173545,,,,,0.0,,0.0,0.0,,0.0,,,,,,,
C=CCN1C(=O)/C(=c2\sc3n(c2=O)C(c2ccc(OC)c(OC)c2)C(C(=O)OC)=C(C)N=3)c2ccccc21,CID2891689,,,,,,0.0,,,,,,,,,,,
COC(=O)C1=C(C)N=c2s/c(=C3/C(=O)Nc4ccccc43)c(=O)n2C1c1ccccc1,CID4048669,,0.0,0.0,,,,,,,,,,,,,,
Cc1cccn2c(=O)c3cc(C(=O)N4COCC4(C)C)n(C)c3nc12,CID3237786,,,,,,0.0,,,,,,,,,,,
Cn1c(C(=O)N2COCC2(C)C)cc2c(=O)n3ccccc3nc21,CID3243206,,,,,,,,0.0,,,,,,,,,
CCc1cc2cc3c(cc2nc1SCC(=O)Nc1nccs1)OCO3,CID3208298,,,,,,0.0,,,,,,,,,,,
Cc1cc2cc3c(cc2nc1SCC(=O)Nc1nc(C)c(C)s1)OCO3,CID1173483,,,,,,,,,,,,,,0.0,,,
COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)OCc1c(C)noc1C,CID2434551,,,,,0.0,0.0,0.0,,,0.0,,,0.0,,,,
Cc1noc(C)c1COC(=O)c1cccc(S(=O)(=O)N2c3ccccc3CC2C)c1,CID2998052,,0.0,0.0,,0.0,0.0,,,,,,,,,,,
CCN1C(=O)Cc2cc(S(=O)(=O)N3CCOCC3)ccc21,CID951653,,,,,,,,0.0,,,,,0.0,,,0.0,
CN1C(=O)Cc2cc(S(=O)(=O)N3CCOCC3)ccc21,CID652624,,,,0.0,,,,,,,,,,0.0,,0.0,
COc1ccc2c(c1)/C(=C/c1cnc[nH]1)C(=O)N2,CID5289419,,,,,,,,0.0,,,,,,,,,
O=C1Nc2ccccc2/C1=C/c1cnc[nH]1,CID5714572,,,,,,,,,,,,1.0,,,,,
O=C1Nc2ccccc2C12OCC(COc1ccc(Cl)cc1)O2,CID2919360,,0.0,,0.0,,,,,,0.0,,,,,,0.0,
CN1C(=O)C2(OCC(COc3ccc(Cl)cc3)O2)c2ccccc21,CID2975605,,,,,,,,,,,,,0.0,,,0.0,0.0
O=C1c2ccccc2NC(c2ccccc2)N1NS(=O)(=O)c1ccccc1,CID3629588,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)NN2C(=O)c3ccccc3NC2c2ccccc2O)cc1,CID4406468,,,,,,,,,,,,,,,0.0,,
O=C(NC1CCCCC1)N(CCO)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3,CID1138146,,,,,,,,,,0.0,,0.0,,,,,
CCN(CC)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=O)NC1CCCCC1,CID649691,0.0,,,,,,,,0.0,,,,,,,,0.0
C/C(NCCN1CCCCC1)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O,CID5389667,,,,,,,,0.0,,0.0,,,0.0,,,,
O=C1NC(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/NCCN1CCCCC1,CID5389505,,,,,,,,0.0,,,,,,,,,
Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCc3ccco3)CC2)c(C)c1,CID1287821,,,,,,,,,,0.0,0.0,,,0.0,,,
COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccco3)CC2)cc1,CID1081777,,,,,,,,,,0.0,0.0,,0.0,,,,
O=C1c2cccnc2C(O)N1Cc1ccccc1,CID3240034,,,,,,,,0.0,,0.0,,,,,,,
O=C1c2cccnc2C(O)N1Cc1ccc(F)cc1,CID3237550,,,0.0,,,,,0.0,,,,,,,,,
CC1=CC(Oc2ccc(C)cc2)=N/C(=C2\C=CC=CC2=O)N1,CID5742559,,,,,,0.0,,,,,,,,,,,
CC1=CC(Oc2ccccc2)=N/C(=C2/C=CC=CC2=O)N1,CID5389140,,,,,,,0.0,0.0,,,,,,,,,
CCC(Sc1nc(=O)cc(C)[nH]1)C(=O)Nc1nc2c(s1)CCCC2,CID3240030,0.0,0.0,,,0.0,0.0,0.0,,0.0,,0.0,,0.0,,0.0,,
Cc1cc(=O)nc(SCC(=O)Nc2nc3c(s2)CCCC3)[nH]1,CID3238785,0.0,0.0,,,0.0,,,,0.0,,0.0,0.0,,,,,
COc1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=NC(C(C)C)C(=O)N23)cc1OC,CID3240038,,,,,,0.0,,,,,,,,,,,
CC(C)C1N=C2c3ccccc3N=C(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)N2C1=O,CID3238304,,0.0,,,,,,,,,,,,,,,
CCOC(=O)C(C)Oc1cccc2c(=O)n(CC(=O)NCc3ccco3)ccc12,CID4170858,,,,,,,,,,,,,0.0,,,,
Cc1ccc(CNC(=O)Cn2ccc3ccccc3c2=O)o1,CID3239691,,,,,,,,,,0.0,,,,,,,
CCc1cccc(NC(=O)CN2C(=O)NC3(CCCCCCC3)C2=O)c1,CID2583474,,,0.0,0.0,,,,,0.0,,,,,,,,
CC(=O)c1cccc(NC(=O)CN2C(=O)NC3(CCCCCCC3)C2=O)c1,CID2583786,,,0.0,,,,,,,,,,,,,,
C/C(CC(=O)NCc1ccco1)=N\NC(=O)Cc1ccccc1,CID3101319,,,,,,0.0,,,,,,0.0,,,,,
C/C(CC(=O)NCc1ccco1)=N\NC(=O)Cc1ccc(Cl)cc1,CID3101321,,,,,,0.0,,,,,,,,,,,
c1ccc(-c2nc(NCc3cccnc3)c3ccccc3n2)cc1,CID675226,,,,,,0.0,,,,,,0.0,,,,,
Clc1cccc(-c2nc(NCc3cccnc3)c3ccccc3n2)c1,CID734307,,,,,,0.0,,,,,,,,,,,
CCOC(=O)N1CCN(C(=O)c2ccc3nc(N4CCCCC4)sc3c2)CC1,CID3240695,0.0,,0.0,0.0,,,,,,,,,,,,,0.0
CCOC(=O)N1CCN(C(=O)c2ccc3nc(N4CCC(C)CC4)sc3c2)CC1,CID3235947,0.0,,,,,,,,,0.0,,,,,,,
O=C(c1ccc(Cn2cc(Br)cn2)cc1)N1CCN(c2ccccc2)CC1,CID1223584,0.0,,,,,,0.0,,0.0,,0.0,,,,,0.0,
O=C(c1ccc(Cn2cc(Cl)cn2)cc1)N1CCN(c2ccccc2)CC1,CID1223551,,,,,,,,,,0.0,0.0,,,,,,0.0
C=CCn1c(SCc2c(C)noc2C)nc2sc3c(c2c1=O)CCCC3,CID982889,,,,,,0.0,,,,0.0,0.0,,,,0.0,,
Cc1noc(C)c1CSc1nc2sc3c(c2c(=O)n1C)CCCC3,CID2371697,,,,,,0.0,,,,0.0,0.0,,,0.0,0.0,,
O=C1NCC2=C1C(c1ccccc1)Nc1ccccc1N2,CID2848107,,,,0.0,,,0.0,,,,,,,,,0.0,
O=C1NCC2=C1C(c1ccc(Br)cc1)Nc1ccccc1N2,CID2831718,,,,,,,,,,,,,,,,0.0,0.0
CCOC(=O)C1=C(CSc2nc(C)ccc2C#N)OC(N)=C(C#N)C1c1cccc(OC)c1OC,CID660190,,,,,0.0,,,,,,,,,,,,
CCOC(=O)C1=C(CSc2nc(CC)c(C)cc2C#N)OC(N)=C(C#N)C1c1ccc(OC)cc1,CID3708639,,,,,,,,,,,,0.0,,,,,
COc1cc(NC(=O)CC(c2ccccc2)c2ccccc2)c(OC)cc1Cl,CID1279625,,,,,,0.0,,,,,,,,,,,
COc1ccc([N+](=O)[O-])cc1NC(=O)CC(c1ccccc1)c1ccccc1,CID1362633,,,,,,,,,,,,,,0.0,,,
COC(=O)c1cc(COc2ccc3c(c2)oc(=O)c2ccccc23)c(C)o1,CID988814,,,,,,0.0,,,,,,,,,,,
COc1ccc2c(c1)c(=O)oc1c(C)c(OCc3cc(C(=O)O)oc3C)ccc12,CID1347759,,,,,,,,,,,,,,0.0,,,
O=C1COc2ccc(-c3cs/c(=N\c4ccc(OC(F)F)cc4)n3CC3CCCO3)cc2N1,CID4571372,,,,,,,,,,0.0,,,,,,,
COc1ccccc1/N=c1\scc(-c2ccc3c(c2)NC(=O)CO3)n1CC1CCCO1,CID2998675,,0.0,,,0.0,,,0.0,,,0.0,,,,,,
Cc1nnc(NC(=O)CCC(=O)NCc2ccco2)s1,CID664184,,0.0,,,,,,0.0,,,,,0.0,,,0.0,
CC(C)c1nnc(NC(=O)CCC(=O)NCc2ccco2)s1,CID664004,,,,0.0,,,,,0.0,,0.0,0.0,,,,0.0,
O=c1c(-c2ccc3c(c2)OCCO3)coc2cc(O)cc(O)c12,CID5397270,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1oc2cc(O)c(CC)cc2c(=O)c1-c1ccc2c(c1)OCCO2,CID5307541,,,,,,,0.0,,,,,,,,,,
CC(=O)c1cc(C(=O)Nc2ccc3ccccc3c2)c(C)o1,CID790801,,,,,,0.0,,,,,,,,,,,
Cc1occc1C(=O)Nc1ccc2ccccc2c1,CID823601,,0.0,,,,,0.0,0.0,0.0,0.0,0.0,,,0.0,,0.0,
CCn1c(SCC(=O)N2CCCC2)nc2c(c1=O)SC(C)C2,CID4319366,0.0,0.0,,,,,,,,,0.0,,,,,,
CC1Cc2nc(SCC(=O)N3CCCC3)n(C)c(=O)c2S1,CID4530998,0.0,,,,,,,,,,,,,,,,
COc1ccc(CC(=O)C(C#N)=C2Nc3ccccc3N2)cc1OC,CID5310613,,,0.0,0.0,,,,,,,0.0,,,,,,0.0
CC(=O)OC(C(=O)C(C#N)=C1Nc2ccccc2N1)c1ccccc1,CID5310698,,,,,,0.0,,0.0,,,,,,,,,0.0
COC(=O)c1ccc(/C=N/NC(=O)CC(=O)NC2CCCCC2)cc1,CID819822,,,,,,,,,,,,,,,0.0,,
O=C(CC(=O)NC1CCCCC1)N/N=C/c1ccc(Cl)cc1,CID819810,,,,,,,,,,,,0.0,,,,,
O=C(O)CSc1nnc(-c2cc3ccccc3o2)n1-c1ccccc1,CID2062326,0.0,0.0,,,0.0,,,,,,,0.0,0.0,0.0,,0.0,0.0
CC(Sc1nnc(-c2cc3ccccc3o2)n1-c1ccccc1)C(=O)O,CID2978682,,,,,,,,,,,,,,,,0.0,0.0
O=C1C=CC(=NC2=C(Nc3ccc(O)cc3)Nc3ccccc3N2)C=C1,CID5338551,,,,,,,,,,,,0.0,,,,,
CC1=CC(=O)C=C/C1=N\C1=C(Nc2ccc(O)cc2C)Nc2ccccc2N1,CID9601081,,,,,,,,,,,,,0.0,,,,
COc1ccc(S(=O)(=O)N/N=C(\C)c2cccc(NC(=O)c3ccccc3Cl)c2)cc1,CID1008966,,,,,,,,,,,,0.0,,,,,
C/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1,CID1008846,,,,,,,,,,,,0.0,,,0.0,,
CCCC1=C/C(=C2\NNC=C2c2ccc3c(c2)OCCCO3)C(=O)C=C1OC,CID5734234,,,,,,,,,,,0.0,,,,,,
CCCC1=C/C(=C2\NNC=C2c2ccc3c(c2)OCCCO3)C(=O)C=C1O,CID5389514,,,,,,,0.0,1.0,,,,,,,,,0.0
O=C1c2ccccc2NC(c2ccccn2)N1c1ccc(Cl)cc1,CID620910,0.0,,0.0,,,,,,,,,0.0,0.0,,,,
Cc1cccc(C2Nc3ccccc3C(=O)N2c2ccccc2)n1,CID2921692,0.0,,0.0,,,,0.0,,,,0.0,,,,0.0,0.0,
Cc1[nH]n(-c2ccccc2)c2nc(C(F)(F)F)cc(=O)c1-2,CID626181,,,,0.0,0.0,,0.0,,,0.0,,,,,,,
Cc1cc(=O)c2c(C)[nH]n(-c3ccccc3)c-2n1,CID340896,,,,,,,,,,,,,0.0,,,0.0,
COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)c3cc4ccccc4o3)cc12,CID3441827,0.0,,0.0,,,,,,,,,,0.0,,,,
Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)c3cc4ccccc4o3)cc12,CID4247775,0.0,,,,,,,,,,,,,,,0.0,
Cc1nnc(NC(=O)CSc2nnc3scc(-c4ccc(C)c(C)c4)n23)s1,CID646085,,,,,0.0,,,,,,,,,,,,
CCc1nnc(NC(=O)CSc2nnc3scc(-c4ccc(C)cc4)n23)s1,CID653282,,,,,0.0,,,,,0.0,,0.0,,,,0.0,
COc1ccc(NC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)cc1,CID708262,,,,,,,,,,,,,,0.0,0.0,,
CC(=O)Nc1ccc(NC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)cc1,CID993878,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1c(-n2cnnn2)sc(C)c1C,CID646089,,,,,,,,,,0.0,,,0.0,,,0.0,
COC(=O)c1c(-n2cnnn2)sc(C)c1C,CID661583,,0.0,0.0,0.0,,,0.0,,,0.0,,,,,,,
COc1ccc(C(=O)N2CCN(c3nc4ccccc4o3)CC2)cc1OC,CID1521398,0.0,0.0,,0.0,0.0,,0.0,,0.0,,,,,,,,0.0
CC(C)(C)c1ccc(C(=O)N2CCN(c3nc4ccccc4o3)CC2)cc1,CID1521296,,,,,,0.0,,,,,,0.0,,,,,
CC(C)Sc1nnc(NC(=O)C2CC2)s1,CID4395445,,,0.0,,0.0,,,,,,,,,,,,
Cc1nnc(NC(=O)C2(C)CC2(Br)Br)s1,CID3442070,,,,,,,,,,,,,,0.0,,,
CCn1c(SCc2ccc(C(=O)OC)o2)nc2sc3c(c2c1=O)CCCC3,CID2529929,,,0.0,,0.0,,0.0,,0.0,0.0,,,0.0,0.0,,,
COC(=O)c1ccc(CSc2nc3sc4c(c3c(=O)n2C)CCCC4)o1,CID2577652,,0.0,0.0,,0.0,,0.0,,0.0,,,,,,,,
Cc1cc(C)nc(-n2nc(C)c(C3(O)C(=O)Nc4ccc(F)cc43)c2N)n1,CID2997961,,,,,,,,,,,,,0.0,,,,
Cc1cc(C)nc(-n2nc(C)c(C3(O)C(=O)Nc4ccccc43)c2N)n1,CID2999210,,0.0,0.0,,,,,,,,,,,,0.0,,
COc1ccc(NC(=O)c2cncc(Br)c2)c(S(=O)(=O)N2CCOCC2)c1,CID2997965,,,,,,,,,0.0,,,,,,,,0.0
COc1ccc(NC(=O)c2cccnc2Cl)c(S(=O)(=O)N2CCOCC2)c1,CID2349249,,,,,,,,,0.0,,,0.0,,,,,
Clc1ccc(OCc2cn3cccnc3n2)c2ncccc12,CID2997964,0.0,0.0,,,,,0.0,,,,,,0.0,,,,0.0
c1cnc2c(OCc3cn4cccnc4n3)cccc2c1,CID708799,,,,,,,,,,,,0.0,,,,,
Cn1c(SCC(=O)NCc2ccccc2)nnc1C1CC1,CID651597,0.0,0.0,,,0.0,,0.0,,,,,,,,0.0,,
Nn1c(SCC(=O)NCc2ccccc2)nnc1C1CC1,CID2601875,,0.0,,,,,,,,0.0,0.0,0.0,0.0,0.0,,0.0,
CCOc1ccc(C(=O)N(Cc2ccc(OC)cc2)Cc2cc3cc(OC)ccc3[nH]c2=O)cc1,CID3194161,,,,,,,,,0.0,0.0,,0.0,,,,,
CCOc1ccc2[nH]c(=O)c(CN(Cc3ccccc3OC)C(=O)c3ccccc3)cc2c1,CID1459213,,,,,,,,,0.0,,,0.0,,,,,
CCOC(=O)c1c(NC(=O)Cc2cccs2)sc(C(=O)N2CCCCC2)c1C,CID2233335,,,0.0,,,,,,,0.0,,,,,,,0.0
COC(=O)c1c(NC(=O)Cc2cccs2)sc(C(=O)N2CCCCC2)c1C,CID652711,,,,,0.0,,,,0.0,0.0,,,0.0,,0.0,,
CC(=O)Nc1cc(C(=O)N2CCCC2)ccc1Sc1ccc(C)cc1,CID4256446,,,,,,,,,,0.0,,,,,,,
CC(=O)Nc1cc(C(=O)N2CCCC2)ccc1Sc1ccc(Cl)cc1,CID3247741,,,,,,0.0,,,,,,,,,,,
Cc1nc(-c2ccc3c(c2)OCO3)cs1,CID2548441,,,,,0.0,,0.0,,,,0.0,,,,,,
CC(C)(C)C(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1,CID2329444,,,,,,,,,,,0.0,0.0,,0.0,,,
CN(C)S(=O)(=O)c1cccc(COC(=O)c2ccc3c(c2)OCO3)c1,CID2562779,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(C(C)=O)cc1COC(=O)c1ccc2c(c1)OCO2,CID2565935,,,,,,,,,,,,,0.0,,0.0,,
C/N=c1\scc(C)n1NC=C1C=CC(=O)C=C1,CID5742511,,0.0,,,,,,,,,,,,,,,
C/N=c1\scc(C)n1N/C=C1\C=CC(=O)C=C1O,CID5742517,,0.0,,,,0.0,,0.0,,,,,,,,,
COCC(=O)NC1CC2CCCC(C1)N2Cc1ccccc1,CID652397,,,,0.0,,,,0.0,,,,,0.0,,,,0.0
CCN(CC)C(=O)NC1CC2CCCC(C1)N2Cc1ccccc1,CID650752,,,,,,0.0,,0.0,,,,,,,,,
CC(C)(C)n1nnnc1C(c1ccc(F)cc1)N(Cc1ccc(F)cc1)Cc1ccco1,CID3193755,,,,,,,,,0.0,,,,,,,,
COc1cccc(CN(Cc2ccco2)C(c2ccc(F)cc2)c2nnnn2C(C)(C)C)c1,CID648894,,,,0.0,,,0.0,,,,,,,,,,
CC(=O)NC1CCN(C(=O)N2CCCC2)CC1,CID651282,,,0.0,0.0,,0.0,,,0.0,,,0.0,,,,,
CC(C)(C)C(=O)NC1CCN(C(=O)N2CCCC2)CC1,CID648075,,0.0,,0.0,,,,,0.0,,,,0.0,,,,
CC(=O)Nc1nc2ccccc2n1CCN1CCOCC1,CID745077,,0.0,,,,,,,,,,,,0.0,,,
CCC(=O)Nc1nc2ccccc2n1CCN1CCOCC1,CID745080,,0.0,0.0,,,,,0.0,,,,,0.0,,0.0,,
CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)C12CC3CC(CC(O)(C3)C1)C2,CID2997558,,,,,,,,,,,,,,,,,0.0
O=C1CN(C(=O)COC(=O)C23CC4CC(CC(O)(C4)C2)C3)c2ccccc2N1,CID2997785,,,,,,,0.0,,,,,,0.0,,,,
CC(=O)N(C)C1=C(Cl)C(=O)c2ccccc2C1=O,CID867319,,,,,,0.0,,,,,,,,,,,
CCNC1=C(Cl)C(=O)c2ccccc2C1=O,CID220717,,,,,,,,,,0.0,0.0,,,,,,
O=S(=O)(c1ccc(Cl)cc1)N1CN2CCN(C2)C1,CID655626,,0.0,,0.0,0.0,,,,,,,0.0,,,,,0.0
Cc1ccc(S(=O)(=O)N2CN3CCN(C3)C2)cc1,CID653810,,,,0.0,,,,0.0,,,,,,,,,
CCCN(C(=O)Cc1nc(N)n[nH]1)C1(C(=O)Nc2c(C)cccc2C)CCCCC1,CID3239239,,,,,,,,,,,,,,,,0.0,
CCCN(C(=O)Cc1nc(N)n[nH]1)C1(C(=O)Nc2ccccc2C)CCCCC1,CID3962160,,,,,,,,,,0.0,,,,,,,
O=C(NC1(C(=O)NC2CCCC2)CCCCC1)c1ccc2c(c1)OCO2,CID3242907,,,0.0,,,,,,0.0,,,,0.0,,,,0.0
CN(C(=O)c1ccc2c(c1)OCO2)C1(C(=O)NC2CCCC2)CCCCC1,CID3238369,,,,,,,,,,0.0,,,0.0,,,,
Cc1cccc2sc(NC(=O)CSCc3ccccc3)nc12,CID2218666,,,,,,,,,,0.0,,,,0.0,,,
Cc1ccc2nc(NC(=O)CSCc3ccccc3)sc2c1,CID891239,,,,,,,,,,,,,,0.0,,,
COCCSc1nnc(NC(=O)CSCc2ccccc2)s1,CID2218667,,,,0.0,0.0,,,,0.0,,,,,0.0,,,
CCOCc1nnc(NC(=O)CSCc2ccccc2)s1,CID652910,,0.0,,,0.0,,0.0,,0.0,0.0,,,,,,0.0,
COc1ccc(-c2csc(C3=C(N)N(Cc4ccc(S(N)(=O)=O)cc4)CC3=O)n2)cc1OC,CID2097025,,,,,,,0.0,,,,,,0.0,,,,
NC1=C(c2nc(-c3ccc(F)cc3)cs2)C(=O)CN1Cc1ccc(Cl)cc1,CID4068029,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1cc(=O)n2nc(-c3ccc(C)cc3)nc2s1,CID2095677,,,,,,,0.0,0.0,,,0.0,,0.0,,,0.0,0.0
CCOC(=O)c1cc(=O)n2nc(-c3ccccc3F)nc2s1,CID2104060,,,,,,,,,,0.0,,0.0,0.0,,,,
Cc1nnc(NC(=O)CSc2nc3ccccc3o2)s1,CID2055026,,,,,,,,,0.0,0.0,0.0,,,,,,
C=CCSc1nnc(NC(=O)CSc2nc3ccccc3o2)s1,CID2223441,,,,,0.0,,0.0,,0.0,0.0,,,,,0.0,,
Cc1ccc(C2CC2C(=O)NNC(=S)Nc2cccc(C)c2)cc1,CID4464785,,,,,,,,,,0.0,,,,,,,
Cc1ccc(NC(=S)NNC(=O)C2CC2c2ccc(C)cc2)cc1,CID4119569,,,,,,,,,,,,0.0,,,,,
Cc1cc(C)nc(SCC(=O)c2ccc3c(c2)OCCO3)n1,CID975401,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1cnc(SCC(=O)c2ccc3c(c2)OCCO3)nc1N,CID654948,,,,,,,0.0,,0.0,,0.0,,,0.0,,0.0,
Cn1c(C(=O)N2CCC(C(N)=O)CC2)cc2c(=O)n(C)c3ccccc3c21,CID5309723,,0.0,,,,,,,,,,,,,,,
CCOC(=O)C1CCCN(C(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)C1,CID5307897,,,,,,0.0,,,,,,,,,,,
COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)NCC2CCCO2)cc1,CID5309721,0.0,,,,,,,,,,,,,,,,
Cn1cccc1Cc1nnc(SCC(=O)NCC2CCCO2)n1-c1ccc(F)cc1,CID5309064,0.0,,0.0,,,,,,,,,,,,,,
Cc1ccccc1N(C(=O)Cn1nnc(-c2cccs2)n1)C(C(=O)NCCC(C)C)c1ccco1,CID3190119,,,,,,,,,,,0.0,,,,,,
COc1cccc(N(C(=O)Cn2nnc(-c3cccs3)n2)C(C(=O)NC(C)C)c2ccc(C)o2)c1,CID3229365,,,,,,,,,,,0.0,,,0.0,,,
O=C(NCc1ccc(Cl)cc1)c1cnn2ccccc12,CID6622851,,,,,,,,,,,,,,,0.0,,
O=C(NCc1ccc(F)cc1)c1cnn2ccccc12,CID9550954,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1c(C)c(C(=O)NCc2ccc3c(c2)OCO3)c(C)n1C,CID3243289,,,,,,,,,0.0,,,,,,,,
CCOC(=O)c1c(C)c(C(=O)NCc2ccc3c(c2)OCO3)c(C)n1CC,CID3241651,,,0.0,,,,,0.0,0.0,,,,,,,0.0,
COc1ccc(OCC(=O)NNC(=O)c2cccs2)cc1,CID809204,,,,,,0.0,,,,,,,,,,,
O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=O)c1cccs1,CID692259,,,,,,,,,,,,,,0.0,,,
Cc1cc(=O)nc(SCC(=O)N2c3ccccc3CC2C)[nH]1,CID2998848,0.0,0.0,,0.0,,,,,,0.0,,,,,,0.0,0.0
CCc1c(C)[nH]c(SCC(=O)N2CCc3ccccc32)nc1=O,CID652385,0.0,0.0,,,0.0,,0.0,,0.0,0.0,0.0,,,,,0.0,0.0
CCOc1ccc(S(=O)(=O)n2nc(C)cc2C)c2ccccc12,CID2921253,0.0,,,0.0,,,,0.0,0.0,0.0,,,0.0,0.0,,,
CCOc1ccc(S(=O)(=O)n2ccc(C)n2)c2ccccc12,CID2056201,,,,,,,0.0,,,,,0.0,,0.0,,,
O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)C1CCCCC1,CID738228,0.0,0.0,,,,,0.0,,,0.0,,0.0,,0.0,,,
O=C(Nc1ccc(N2CCOCC2)cc1)C1CCCCC1,CID2571316,,,,,,,,,,,,0.0,,,,,
Cn1ncc2nnn(-c3ccccc3)c(=O)c21,CID660849,,0.0,,,,,,,,,,0.0,,,,,
Cc1cccc(-n2nnc3cnn(C)c3c2=O)c1,CID1908604,,,,,,,,,,,,0.0,,,,,
Cc1ccc(Nc2c(-c3ccc(C)o3)nc3cnccn23)cc1,CID9550690,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-c2nc3cnccn3c2Nc2ccccc2)o1,CID5308934,0.0,,,,,0.0,,,,,,,,,,,
CS(=O)(=O)c1nc2c(c(C(F)(F)F)n1)CCCC2,CID3242158,,,,,,,0.0,,,,,,,,,,0.0
CC1CCc2nc(NCCO)nc(C(F)(F)F)c2C1,CID2941817,,,,,,,,,0.0,,,,,,,,0.0
O=C(NCC(=O)N1CCC(N2CCCCC2)CC1)C1CCCCC1,CID3237241,,,0.0,,,,,0.0,,,,,,,,,0.0
CC1CCC(C(=O)NC(C(=O)N2CCC(N3CCCCC3)CC2)C(C)C)CC1,CID3238870,,,,,,0.0,,,,,,,,,,,0.0
COc1cccc(COc2ncnc3sccc23)c1,CID2116133,,,,,,,,,,,,,,,0.0,,
COC(=O)c1ccc(COc2ncnc3sccc23)cc1,CID2469744,,,,,,,,,,,,,,0.0,,,
Cc1cc2cc(CNC(=O)NC3CCCCC3)ccc2[nH]1,CID3237248,0.0,,,0.0,,,,0.0,,,0.0,,,,,0.0,
Cc1cc2cc(CNC(=O)NC3CCCCC3)ccc2n1C,CID4294342,,,,,,,,,,0.0,,,,,,,
O=C(C1=C(O)C(=O)N(Cc2ccco2)C1c1ccccc1)c1cccs1,CID2934282,,,,,,0.0,,,,,,,,,,,
COc1cc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2ccco2)cc(OC)c1OC,CID2934026,,,,,,,,,,,0.0,,,0.0,,0.0,
O=C(COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)NCc1ccco1,CID2357510,,0.0,0.0,,0.0,,,0.0,,,,,,,,0.0,
O=C(COC(=O)c1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1Cl)NCc1ccco1,CID2339470,,,,,,,,,0.0,,,0.0,,,,,
Cc1ccc(S(=O)(=O)CC(=O)N2CCCCCC2)cc1,CID654556,,,,,,,0.0,,0.0,,,0.0,,0.0,,,0.0
O=C(CS(=O)(=O)c1ccccc1)N1CCCCCC1,CID851316,,,,,,,,,,,,0.0,,0.0,,,
COc1ccc(C(C(=O)NC(C)(C)C)N(Cc2cccs2)C(=O)CCC(=O)Nc2cc(C)on2)cc1,CID3216580,,,,,,,,,,,0.0,,,,,,
CCC(C)(C)NC(=O)C(c1ccc(OC)cc1)N(Cc1cccs1)C(=O)CCC(=O)Nc1cc(C)on1,CID3216235,,,,,,,,,,,0.0,,,,,,
CC12CC(c3ccccc3O1)N(C(=O)c1ccco1)C(=S)N2c1ccc(F)cc1,CID4183264,,,,,,,,,,,,0.0,,,,,
CC12CC(c3ccccc3O1)N(C(=O)c1ccco1)C(=S)N2c1ccccc1,CID4074669,,,,,,0.0,,,,,,,,,,,
Cc1cccc(C)c1NC(=O)Cn1cnc2c(=O)n(C)c(=O)n(C)c21,CID970777,,,0.0,,,,,,,,,,,,,,
Cc1ccc(NC(=O)Cn2cnc3c(=O)n(C)c(=O)n(C)c32)c(C)c1,CID2133449,,,0.0,,,,0.0,0.0,,,,,,,,,0.0
CC(C)Oc1ccc2nnnn2n1,CID709777,,,,0.0,,,,,,,,,,,,,
CCOc1ccc2nnnn2n1,CID313621,,,,,,,0.0,,,,,,,,,,
Cn1c(Cc2csc(N)n2)nnc1SCC(=O)NC1CCCCC1,CID2147265,,0.0,,,,,,,,,,0.0,,,,0.0,
C=CCn1c(Cc2csc(N)n2)nnc1SCC(=O)NC1CCCCC1,CID2147275,,0.0,,0.0,,,,,0.0,0.0,,,,,,,
CCOC(=O)Cc1csc(NC(=O)CSc2nnc(Cc3csc(N)n3)n2C)n1,CID2147263,,,,,0.0,,,,,,,0.0,,,,,
C=CCn1c(Cc2csc(N)n2)nnc1SCC(=O)Nc1nc(C)c(C(=O)OCC)s1,CID2064339,,0.0,,,0.0,,,,,,,0.0,,,,,
CCc1ccc(NC(=O)CSc2nnc(SCC(=O)Nc3ccc(CC)cc3)n2N)cc1,CID2468400,,,,,,,,,,,,0.0,,,,,
Cc1cc(C)c(NC(=O)CSc2nnc(SCC(=O)Nc3c(C)cc(C)cc3C)n2N)c(C)c1,CID2464509,,,,,,,,,,0.0,,,,,,,
CC(=O)NC1=NN(C(C)=O)C(C)(CS(=O)(=O)c2ccc(C)c(C)c2)S1,CID3095302,,,,,,,,,,,0.0,0.0,,,,,
CC(=O)NC1=NN(C(C)=O)C(C)(CS(=O)(=O)c2ccc(Cl)cc2)S1,CID3095298,,,,,,,,,0.0,0.0,,,,,,,
COc1ccc(N2CCn3c2nc2c3c(=O)n(CCN3CCOCC3)c(=O)n2C)cc1,CID666081,,,0.0,,,,,,,,0.0,,0.0,,,,
Cn1c(=O)n(CCN2CCOCC2)c(=O)c2c1nc1n2CCN1c1ccccc1,CID667107,,,0.0,,,,,,,,0.0,,0.0,,,,
COc1ccc(-n2c(C)cc(C(=O)CSc3nnc(-c4cccs4)o3)c2C)cc1,CID2083077,,0.0,,,,,,,,0.0,,,,0.0,,,
Cc1cc(C(=O)CSc2nnc(-c3cccs3)o2)c(C)n1-c1ccccc1,CID2082388,,,0.0,,,,0.0,,,,,,0.0,0.0,,,
CCC1Oc2nc(SC)nnc2-c2ccccc2N1C(=O)c1ccccc1,CID5310794,,,,,,,,,,,,,,,,,0.0
CSc1nnc2c(n1)OC(C)N(C(=O)c1ccccc1)c1ccccc1-2,CID3237362,0.0,0.0,0.0,,,,,,,,0.0,,,,,,
C=CCCC1(C)C(=O)N(c2ccccc2)c2ccccc21,CID3488512,,,,,,,,,,,,,,0.0,,,
O=C1Cc2ccccc2N1c1ccccc1,CID314787,,,0.0,,,,,0.0,0.0,0.0,,,,,,0.0,
c1ccc(N2CCN(Cc3nnnn3C3CCCCC3)CC2)cc1,CID653777,,0.0,0.0,0.0,,0.0,0.0,,,,,,,0.0,,0.0,
Cc1ccc(Cl)cc1N1CCN(Cc2nnnn2C2CCCCC2)CC1,CID649196,0.0,,,,,,0.0,,,,,,0.0,,,,
CC(OC(=O)c1cc2sccc2n1C)C(=O)NCCc1ccccc1,CID649274,,,0.0,0.0,,,0.0,0.0,,,,0.0,,,,0.0,
Cn1c(C(=O)OCC(=O)NCCc2ccccc2)cc2sccc21,CID646166,0.0,0.0,0.0,0.0,0.0,,,,,,0.0,,,,,,
COC(=O)N/N=C/c1sc(N2CCCCC2)nc1-c1cccs1,CID2368895,,,,,,,,,,,,,,0.0,,,
CC(C)NC(=S)N/N=C/c1sc(N2CCCCC2)nc1-c1cccs1,CID2369052,,,,,,,,,,,,,,0.0,,,
Cc1cccc(N(C(=O)CCC(=O)Nc2ccccn2)C(C(=O)NC(C)C)c2ccc(O)cc2)c1,CID655399,,,,,,,0.0,,,,,,,,0.0,,
Cc1ccccc1N(C(=O)CCC(=O)Nc1ccccn1)C(C(=O)NC(C)C)c1ccc(O)cc1,CID651437,,,,,,,,,,,,,,,0.0,,0.0
CCOc1ccc(Nc2c3c(nc4ncnn24)CC(C)CC3)cc1,CID655397,,0.0,,0.0,,,,0.0,,,,0.0,,,,,
Cc1ccc(Nc2c3c(nc4ncnn24)CC(C)CC3)cc1,CID3231382,,,,,,,,,,,,0.0,,,,,
C=CCSc1nnc(-c2nnc(SCC=C)n2-c2ccccc2)n1-c1ccccc1,CID2142936,,,,,,0.0,,,,,,,,,,,
CSc1nnc(-c2nnc(SC)n2-c2ccccc2)n1-c1ccccc1,CID1528116,,,,,,,0.0,,,,,,,,,,
CCn1c(SC/C=C/c2ccccc2)nnc1-c1cccs1,CID2142932,0.0,,0.0,,0.0,,0.0,,,,,,,,,,
Cn1c(SC/C=C/c2ccccc2)nnc1-c1cccs1,CID1588904,0.0,,,,0.0,,0.0,,,,,,,0.0,,,
CCn1c2ccccc2c2nnc(SCC(=O)OCN3C(=O)c4ccccc4C3=O)nc21,CID2876426,,,,,,,,0.0,,,,0.0,0.0,,,0.0,
CC(C)n1c2ccccc2c2nnc(SCC(=O)OCN3C(=O)c4ccccc4C3=O)nc21,CID2893606,,,,,,,,,,,,0.0,,,,0.0,
Cc1cc(N2CCOCC2)nc(SCC(=O)c2ccc(Cl)cc2)n1,CID2141445,0.0,,0.0,0.0,0.0,0.0,,,,0.0,0.0,0.0,,,0.0,,
Cc1cc(N2CCOCC2)nc(SCC(=O)c2ccccc2)n1,CID740781,,0.0,,,0.0,0.0,0.0,,,,,,,,,,
CC1=NN(c2ccccc2)C(=O)C1/N=N/c1ccc(N)cc1,CID3108928,,,,,,,,,,,,0.0,,,,,
CC1=NN(c2ccccc2)C(=O)C1/N=N/c1ccc(C)cc1,CID2828942,,,,,,,,,,,,,,,0.0,,
CC(=O)c1cccc(-n2nnnc2SCC(=O)Nc2ccccc2N2CCCCC2)c1,CID649899,0.0,0.0,,,0.0,,,0.0,,,0.0,,0.0,,,0.0,
Cc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2N2CCCCC2)cc1C,CID648201,0.0,0.0,,,0.0,,,,,,0.0,,0.0,,,,
C=CCNc1nc(NCc2ccco2)nc(OCC)n1,CID649892,,0.0,,,,,,,,,,0.0,,,,,
OCCNc1nc(Cl)nc(NCc2ccco2)n1,CID3141862,,,,,,,,,,,,,,,0.0,,
Cc1cccc2cc(C(c3nnnn3Cc3ccc4c(c3)OCO4)N3CCCC3)c(=O)[nH]c12,CID654044,,,,0.0,,,,,,0.0,,,,,,,0.0
Cc1cc(C)c2[nH]c(=O)c(C(c3nnnn3Cc3ccc4c(c3)OCO4)N3CCCC3)cc2c1,CID647230,,,,,,,,,,0.0,,,,,,0.0,
COc1cc(C)nc(OCCNC(=O)COc2ccc(Cl)cc2Cl)n1,CID654040,0.0,,,,,,,,,,,,0.0,,,,
COc1cc(C)nc(OCCNC(=O)COc2ccc(Cl)cc2C)n1,CID646972,,,,0.0,,,,,,,,0.0,,,0.0,,0.0
O=C(Cc1csc(-c2ccccc2)n1)NCc1cccs1,CID2475602,,,,,,,,,,,,,,0.0,0.0,,
CN(Cc1cccs1)C(=O)Cc1csc(-c2ccccc2)n1,CID2533631,,,,,,,,,,,,,,0.0,0.0,,
CCn1cc(C(=O)NCCC2=CCCCC2)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21,CID5307635,,,,0.0,,,,,,,,,0.0,,,0.0,
CCN(CC)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCCC3=CCCCC3)c(=O)c2c1,CID3244114,,,,,0.0,,,0.0,,,,,,,,0.0,
COc1cccc(NC(=O)Cn2cc3c(n2)CCCCC3)c1,CID5307638,0.0,,,,,,,0.0,,,,,,0.0,,,
Cc1cc(C)cc(NC(=O)Cn2cc3c(n2)CCCCC3)c1,CID11957286,,,,,,0.0,,,,,,0.0,,,,,
Cc1ccc(CSc2nc3c(cc2C#N)CCC3)cc1,CID1086226,,,,,,0.0,,,,,,,,,0.0,,
Cc1cccc(CSc2nc3c(cc2C#N)CCC3)c1,CID1201887,,,,,,,,,,,,0.0,,,,,
COc1ccc(CCNc2oc(-c3ccco3)nc2C#N)cc1,CID664072,0.0,0.0,,0.0,,,,,,,0.0,0.0,0.0,,,,
N#Cc1nc(-c2ccco2)oc1NCCc1ccccc1,CID664761,0.0,0.0,,,,,,,,,,,0.0,,0.0,,
O=C(COc1ccccc1)OCc1cc2ccccc2[nH]c1=O,CID664071,,,,,,,0.0,,0.0,0.0,0.0,,0.0,,0.0,,
Cc1cccc2cc(COC(=O)COc3ccccc3)c(=O)[nH]c12,CID664802,0.0,,,,,,,,,,,,,0.0,,,0.0
Cc1ccc(C(=O)NN2C(=O)CSC2=S)cc1,CID1425000,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccccc1C(=O)NN1C(=O)CSC1=S,CID1202470,,,,,,,,,,,,,,0.0,,,
CC1=C(C#N)C(=O)NC(C)(C)C1,CID651505,,,0.0,,,,,0.0,,,,,,,,,
CC1=C(C#N)C(=O)N(C)C(C)(C)C1,CID647150,,,,,,,,0.0,,,,,,,,,
O=C(Cc1cccs1)N/N=C/C(Cl)=C/c1ccccc1,CID687520,,,,,,,,,,,,,,0.0,,,
CC(/C=N/NC(=O)Cc1cccs1)=C\c1ccccc1,CID2144383,,,,,,,,,,,,,,0.0,,,
O=C(Nc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1)c1ccccc1,CID1101084,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1,CID3090235,,,,,,0.0,,,,,,,,,,,
CCOc1ccccc1Oc1coc2cc(OC(=O)c3ccco3)ccc2c1=O,CID1308519,,,0.0,,,,,0.0,,,,,,,,,
COc1ccccc1Oc1c(C)oc2cc(OC(=O)c3ccco3)ccc2c1=O,CID1300651,,,,,,,,0.0,,,,0.0,,,,,
Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc3c(c2)OCO3)cc1,CID759097,,,0.0,0.0,,,,0.0,0.0,,,,,,,0.0,
CCN(C(=O)CCS(=O)(=O)c1ccc(Br)cc1)c1ccc2c(c1)OCO2,CID3237348,0.0,,,,,,0.0,,0.0,,,,,,,0.0,
NC(=O)C1=CC(c2ccccc2)CC(OCc2ccc(CO)cc2)O1,CID16197162,,,,,,,,,,,,,,,0.0,,
C#Cc1ccc(C2C=C(C(=O)OCC=C)OC(OCc3ccc(CO)cc3)C2)cc1,CID16195838,,,,,,,,,,,,,,0.0,,,
CCC1(c2ccccc2)C(=O)N(COC)C(=O)N(COC)C1=O,CID33925,,,,0.0,,,,,,,,,,,,,0.0
CCC1(c2ccccc2)C(=O)N(C)C(=O)N(C)C1=O,CID12897,,,,,,,,,,,0.0,,,0.0,,,
O=C(Nc1ccc2c(c1)OCO2)C1COc2ccccc2O1,CID2896998,,0.0,0.0,,,,,0.0,,,0.0,,,,0.0,,
CC1(C)Oc2ccc(NC(=O)C3COc4ccccc4O3)cc2O1,CID650457,,,0.0,,,,,,,,,,,,,,
CCCOc1ccc2oc(=O)c3c(c2c1)CCCN3C(=O)CN(C)Cc1ccccc1,CID3244658,,,,,,,0.0,,,,,,,,,,
CN(CC(=O)N1CCCc2c1c(=O)oc1ccc(O)cc21)Cc1ccccc1,CID3245169,0.0,,,0.0,,,0.0,,,,,,,,,,
O=C1COc2ccc(C(=O)CSc3nnc(Cc4cccs4)n3-c3ccccc3)cc2N1,CID2120707,,,,,0.0,,,,0.0,,0.0,,,,,,
O=C1COc2ccc(C(=O)CSc3nnc(Cc4cccs4)n3-c3ccc(Cl)cc3)cc2N1,CID2482458,,,,,,,,,0.0,,,0.0,,,,,
CCOC(=O)N1CCN(C(=O)C(NC(=O)C2CCC(C)CC2)C(C)C)CC1,CID3241156,,,,,0.0,,,,0.0,,,,,,,,
CCOC(=O)N1CCN(C(=O)C(CC(C)C)NC(=O)C2CCCCC2)CC1,CID3238124,,,0.0,,0.0,,,,,,,,0.0,,,,
CCC(=O)OC1(C(=O)CCl)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C,CID32798,,,,,,,0.0,,,,,,,,,,
CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC21C,CID5834,,,,,,,0.0,,,,,,,,,,
CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)NC3CCCc4ccccc43)ccc21,CID5308057,,,,0.0,,0.0,,,,,,0.0,,,,0.0,
Cn1c(=O)oc2cc(S(=O)(=O)NC3CCCc4ccccc43)ccc21,CID5308369,,,,,,0.0,,,,0.0,,,,,,,
CC1CCCC(NC(=O)CSC2=NCCS2)C1C,CID3642937,,,,,,,,,,,,,,,0.0,,
O=C(CSC1=NCCS1)NC1CCCCC1,CID975638,,,,,0.0,,0.0,,,0.0,,0.0,,,,0.0,
Cc1ccc(S(=O)(=O)Cc2nc(=O)c3ccccc3[nH]2)cc1,CID748049,,,,,,,,,,,,0.0,,,,,
O=c1nc(CS(=O)(=O)c2ccccc2)[nH]c2ccccc12,CID942681,,,0.0,,,,0.0,,,,,0.0,,,,,
Cc1cccc(C(=O)Nc2nnc(Cc3c[nH]c4ccccc34)s2)c1,CID778154,,,,,,0.0,,,,,,,,,,,
CC(C)(C)c1ccc(C(=O)Nc2nnc(Cc3c[nH]c4ccccc34)s2)cc1,CID1401180,,,,,,,,,,,,,,,0.0,,
CC(C)c1nnc(NC(=O)CC(=O)Nc2ccccc2C(=O)O)s1,CID660565,,,,0.0,,,,0.0,,,,,,,,0.0,
CCc1nnc(NC(=O)CC(=O)Nc2ccccc2C(=O)O)s1,CID658432,,0.0,0.0,0.0,,,,0.0,,,,,,,,0.0,
COc1ccc(-c2nnc(SCC(=O)c3cccs3)o2)cc1,CID859858,,,,,,0.0,0.0,,0.0,,0.0,,0.0,0.0,,,
COc1ccc(-c2nnc(SCC(=O)c3cccs3)o2)c(OC)c1,CID645761,,,0.0,,,,,,0.0,,0.0,,0.0,,,,
CCC(=O)Nc1ccc2nc(SCC(=O)N3CCCC3)sc2c1,CID660562,0.0,,,,0.0,,0.0,,0.0,,0.0,,0.0,0.0,,,
CCCC(=O)Nc1ccc2nc(SCC(=O)N3CCCC3)sc2c1,CID980173,,,,,,,,,,,,,,,0.0,,
C=CCn1c(N)c(C(=O)NCc2ccco2)sc1=S,CID752647,,,,,0.0,,,,,0.0,,,,,,,
CCn1c(N)c(C(=O)NCc2ccco2)sc1=S,CID3245795,,,,0.0,0.0,,0.0,,,,,,,,,,
CC(C)Cn1c(N)c(C(=O)COC(=O)c2cccnc2Cl)c(=O)n(C)c1=O,CID2092417,,,,,,,,,,,,,,,0.0,,
CCOc1ncccc1C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O,CID2116735,,0.0,,,,,,,0.0,,,,0.0,,,,
C=CCn1c(N)c(C(=O)NCc2cccnc2)sc1=S,CID752648,,0.0,,0.0,0.0,,,,0.0,0.0,,,,,,,
CCn1c(N)c(C(=O)NCc2cccnc2)sc1=S,CID3241709,,,,,,,,,,0.0,,,0.0,0.0,,,
N#Cc1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1,CID3496955,,,,,,,,,,,,,,0.0,,,
CCOc1ccccc1/C=N/NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1,CID2327035,,,,,,,,,,,,,,,0.0,,
CC(=O)c1ccc2c(c1)CC(C)C(=O)N2C,CID5087320,,,,,,,,,,,,,,,0.0,,
O=C1CC(C(=O)O)c2ccccc2N1,CID589850,,,,,,,,,,0.0,,,,,,,
CN(C(=O)c1ccc(S(=O)(=O)c2cccc(Cl)c2)c([N+](=O)[O-])c1)C1CCCCC1,CID4293949,,,,,,,,,,,,,,0.0,,,
O=C(NC1CCCCC1)c1ccc(S(=O)(=O)c2ccccc2)cc1,CID766530,,,,,,,,,,,,,,0.0,0.0,,
Cc1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)s1,CID2507451,,,,,,,,,,,,0.0,,,,,
Cc1nnc(SC(C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)s1,CID646953,,0.0,,,0.0,,,,0.0,,,,,,,,
Cc1nnc(SCC(=O)N2CCC(C(N)=O)CC2)s1,CID661613,0.0,0.0,,,,,,,,0.0,,,,,,,
Cc1nnc(SCC(=O)N2CCCCC2)s1,CID971444,0.0,0.0,,0.0,,,0.0,,,,0.0,,0.0,0.0,,0.0,
Cc1ccc(/C=N/n2c(-c3ccccc3)n[nH]c2=S)s1,CID838244,,,,,,0.0,,,,,,,,,,,
Cc1ccc(/C=N/n2c(-c3ccc(Cl)cc3)n[nH]c2=S)s1,CID885369,,,,,,,,,,,,,,0.0,,,
CCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)Nc3ccccc3OC)cc2c1,CID1430433,,,,,,,,,0.0,0.0,,0.0,,,,,
CCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3OC)C(=O)Nc3ccccc3OC)cc2c1,CID1430541,,,,,,,,,,,,0.0,,,,,
O=c1[nH]c2ccccc2c(=O)n1Cc1ccco1,CID2366703,,,,0.0,,0.0,0.0,0.0,,,0.0,,,,,,
O=c1[nH]c2ccc(Cl)cc2c(=O)n1Cc1ccco1,CID3242144,0.0,0.0,,0.0,,,,,,,,,0.0,,,,
O=C(CC1(O)C(=O)N(CCc2ccccc2)c2ccccc21)c1ccco1,CID3798162,,,,,,,,,,,0.0,,0.0,0.0,,,
Cc1ccc(C(=O)CC2(O)C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)o1,CID2946064,0.0,,,,,,0.0,,0.0,,0.0,,,,,,
CC1CCCC(C)N1C(=O)CSc1nnc(COc2ccccc2)n1-c1ccccc1,CID3170258,,,,,,,,,,,,0.0,,,,,
COc1ccccc1OCc1nnc(SCC(=O)N2CCCCC2)n1-c1ccccc1,CID648133,0.0,,,,0.0,,,,,,,,,,,0.0,0.0
O=C(O)C1CCN(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CC1,CID1117990,,,,,,,,,0.0,0.0,0.0,,,0.0,,0.0,
O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1,CID1101034,,,,,,,,,,,,,,0.0,,,
Cc1sc2nc(SCC(=O)C(C)(C)C)n(Cc3ccco3)c(=O)c2c1C,CID1950147,,,,,,0.0,,,,0.0,0.0,,,0.0,,,
CCOC(=O)CC(=O)CSc1nc2sc(C)cc2c(=O)n1Cc1ccco1,CID2229277,,,,,0.0,,,,0.0,,0.0,,,,0.0,,
CCC1Sc2ccccc2N(CC(=O)NCCC2=CCCCC2)C1=O,CID4582677,,,,,,0.0,,,,,0.0,,,,,,
O=C(CN1C(=O)CSc2ccccc21)NCCC1=CCCCC1,CID3238914,0.0,,,0.0,,,,0.0,,,,0.0,,,,,0.0
CCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NC3=NCCS3)cc2)cc1,CID3982611,,,,,,,,,,,,,,,0.0,,
Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NC3=NCCS3)cc2)cc1,CID2536775,,,,,,,,,,,,,,0.0,,,
Cc1c(N2C(=O)CSC23C(=O)Nc2ccccc23)c(=O)n(-c2ccccc2)n1C,CID2919458,0.0,,0.0,0.0,,,,,,,,,0.0,,,0.0,0.0
Cc1c(N2C(=O)C(C)SC23C(=O)Nc2ccccc23)c(=O)n(-c2ccccc2)n1C,CID2972240,,,,,,,,,,,,,,,,,0.0
COc1ccc(-c2noc(CCN3C(=O)c4ccccc4C3=O)n2)cc1OC,CID666980,,,0.0,,,,,0.0,0.0,,,,0.0,0.0,,,
O=C1c2ccccc2C(=O)N1CCc1nc(-c2ccc(Cl)cc2)no1,CID1300688,,,,,,0.0,,,,,,,,0.0,,,
FC(F)(F)c1nnc2sc(-c3ccncc3)nn12,CID666983,0.0,,,,0.0,,0.0,,0.0,,,,,,,,
Cc1nnc2sc(-c3ccncc3)nn12,CID666150,,,,0.0,,,,,,,,,,,0.0,,0.0
COc1ccc(NC(=O)CSC2CCCCC2)cc1,CID734045,,,,0.0,0.0,,,,,,,,,,,,
NS(=O)(=O)c1ccc(NC(=O)CSC2CCCCC2)cc1,CID2560906,,,0.0,,0.0,0.0,0.0,,,0.0,0.0,,,,,,
Cn1nc(-c2ccccc2)c(C#N)c1Sc1cccc(Cl)c1,CID1475520,,,,,,,,,,,,,,,0.0,,
Cc1ccccc1Sc1c(C#N)c(-c2ccccc2)nn1C,CID1475519,,,,,,0.0,,,,,,,,,,,
Cc1cccc(CSc2cccc3cccnc23)c1,CID1240113,,,,,,0.0,,,,,,0.0,,,,,
NNC(=O)c1ccc(CSc2cccc3cccnc23)cc1,CID2342037,,,,,,,,,,,,,,0.0,,,
Cc1nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc2c1C(=O)CC(c1ccco1)C2,CID666360,0.0,,,0.0,,,0.0,,0.0,0.0,,,,0.0,,,
O=C1CC(c2ccco2)Cc2nc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)ncc21,CID665479,0.0,0.0,,,,,0.0,0.0,0.0,0.0,,,0.0,,,,
COc1cc2c(cc1OC)CN(C(=O)c1cc(S(=O)(=O)N3CCOCC3)ccc1Cl)CC2,CID666362,0.0,,,,,,,,0.0,,,,,,,,0.0
COc1cc2c(cc1OC)CN(C(=O)c1ccc(OC)c(S(=O)(=O)N3CCOCC3)c1)CC2,CID2081364,,,,,,,,,,0.0,0.0,,,,,0.0,
CCOC(=O)c1c(NC(=O)CSc2nnc(-c3ccncc3)n2Cc2ccco2)sc(C)c1C,CID3167772,,,,,,,,,,0.0,,0.0,,,,,
CCOC(=O)c1c(NC(=O)CSc2nnc(-c3ccncc3)n2Cc2ccco2)sc(C(C)=O)c1C,CID3167773,,,,,,,,,,,0.0,0.0,,,,,
O=c1cc(CN2CCN(Cc3ccccc3)CC2)c2cc(Cl)ccc2o1,CID666369,0.0,,,,,,0.0,,,,,,,0.0,,,0.0
Cc1cc2oc(=O)cc(CN3CCN(Cc4ccccc4)CC3)c2cc1Cl,CID2090441,0.0,,0.0,,,0.0,,,,,,,,,,0.0,0.0
CC(C)Cc1nc2oc3c(=O)nc[nH]c3c2c2c1CCC2,CID666368,,,,,,,,0.0,,,,0.0,0.0,,,,
CC(C)c1nc2oc3c(=O)nc[nH]c3c2c2c1CCC2,CID665904,,,,,,,,0.0,,,,0.0,0.0,,,,
COc1ccccc1C1C(C(C)=O)=C(C)N=c2s/c(=C\c3cc(OC)c(OC)c(OC)c3)c(=O)n21,CID3264211,,,,,,,,,,,0.0,,,,,,
COc1ccc(/C=c2\sc3n(c2=O)C(c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1,CID5348861,,,,,,0.0,,,,,,,,,,,
Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCOCC3)cc12,CID617776,,0.0,,0.0,0.0,,,,,,,,,,,0.0,
Cc1ccccc1-n1nc(C)c2cc(C(=O)N3CCOCC3)sc21,CID663836,0.0,0.0,,,0.0,,0.0,,,,,0.0,,0.0,,,
COC(=O)CC1=C(C(=O)OC)C(c2cccs2)C(C#N)=C(N)O1,CID650365,,,0.0,,0.0,,0.0,0.0,,,,,,0.0,,,
CCCC1=C(C(=O)OCC)C(c2cccs2)C(C#N)=C(N)O1,CID2839060,,,,,,0.0,,,,,,,,,,,
CCOC(=O)CSc1nnc(Cc2ccccc2)n1Cc1ccco1,CID648469,0.0,,0.0,0.0,0.0,,0.0,0.0,,,,,0.0,0.0,,0.0,0.0
CC(C)OC(=O)CSc1nnc(Cc2ccccc2)n1Cc1ccco1,CID652965,0.0,,,0.0,0.0,,,,,,,,0.0,0.0,,0.0,
CC1CCCC(C)N1C(=O)CSc1nnc(C2CCCCC2)o1,CID650360,,,,,0.0,,,,,,,,,,,0.0,
O=C(CSc1nnc(C2CCCCC2)o1)N1CCCCC1,CID654686,0.0,0.0,0.0,,0.0,0.0,,0.0,,,,,,,,0.0,0.0
CN(C(=O)c1ccccn1)c1nnc(-c2cccnc2)s1,CID650368,,0.0,,0.0,0.0,,,,,,,,,,0.0,0.0,0.0
Cc1ccc(-c2nnc(N(C)C(=O)c3ccccn3)s2)cn1,CID651392,,0.0,0.0,,0.0,,,,,,,,0.0,,,0.0,0.0
Oc1c(C(c2ccco2)N2CCC(Cc3ccccc3)CC2)sc2ncnn12,CID5060477,0.0,,0.0,,,,,,,,,,,,,0.0,
Cc1nc2sc(C(c3ccco3)N3CCC(Cc4ccccc4)CC3)c(O)n2n1,CID5062705,0.0,,0.0,,,,,,,,,,,,,,
COc1ccccc1N1CCN(C(=O)/C=C/c2ccc(C)cc2)CC1,CID873698,,,,,,,,,,,,,,0.0,,,
COc1ccccc1N1CCN(C(=O)/C=C/c2ccccc2)CC1,CID685277,,,,,,,,,,,,0.0,,,,,
COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)N2CCC(C)CC2)cc1,CID5309176,0.0,,,,,,,0.0,,,,,,,,0.0,
CC1CCN(C(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)CC1,CID5308992,0.0,,,,,,0.0,,,,,,,,,,0.0
CCN(CC)CCNC(=O)Cn1nc(Cc2cccnc2)c2ccccc2c1=O,CID5309177,,,,,,,,,0.0,,,,,,,,0.0
CCCCN(CC)CCCNC(=O)Cn1nc(Cc2cccnc2)c2ccccc2c1=O,CID9551179,,,,,,,,,0.0,,,,,,,,
Cn1cccc1Cc1nnc(SCC(=O)N2CCCc3ccccc32)n1-c1ccc(F)cc1,CID5309173,0.0,,,,,,,,,,,,0.0,,,,
COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)N2CCCc3ccccc32)cc1,CID3240460,0.0,,,,,,,,,,,,,,,0.0,
CCc1ccc2c(COn3nnc4ccc(S(=O)(=O)N(C)C)cc43)cc(=O)oc2c1,CID2109475,,,,0.0,,,,0.0,,,,,,,,,
Cc1ccc2c(COn3nnc4ccc(S(=O)(=O)N(C)C)cc43)cc(=O)oc2c1C,CID2108576,,0.0,,0.0,,,0.0,0.0,,,,,0.0,,,,0.0
Brc1ccc(C2Nc3cccc4cccc(c34)N2)o1,CID802594,0.0,,,,,,,,,,,,,,,0.0,0.0
c1coc(C2Nc3cccc4cccc(c34)N2)c1,CID647027,0.0,0.0,,0.0,,,0.0,0.0,,,,,,,,,
CSc1ccn(Cc2ccc(Cl)cc2)c(=O)n1,CID973916,,,,,,,,,,0.0,,,0.0,0.0,0.0,,
CSc1ccn(Cc2c(Cl)cccc2Cl)c(=O)n1,CID682836,,,,,,,,,,,,,,0.0,,,
COc1ccc(CC[n+]2cc(/N=C(/C)[O-])on2)cc1OC,CID5871620,,,0.0,,,,,,,,0.0,,,,,,
CC(Cc1ccccc1)[n+]1cc(/N=C(/N)[O-])on1,CID5854182,,,,0.0,,,,0.0,,,,,,,,,
Cc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3Cl)C2=O)o1,CID2188292,,,,,,,,,,,,,,0.0,,,
O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C\c1ccco1,CID2288289,,,,,,,,,,,,,,0.0,,,
CCn1cc(C2=NOC(C(=O)Nc3ccc4c(c3)OCO4)C2)c(C)n1,CID3239882,0.0,,,,,0.0,,,,0.0,0.0,0.0,,,,,
CCn1ncc(C2=NOC(C(=O)Nc3ccc4c(c3)OCO4)C2)c1C,CID3237410,,0.0,,,,,,,,,0.0,,,,,,
CC(C)Oc1ccccc1OCCCOc1cccc2cccnc12,CID2284803,,,,,,,,,,,,,,,0.0,,
Cc1cccc(OCCCOc2cccc3cccnc23)c1C,CID2283202,,,,,,0.0,,,,,,,,,,,
CCCCCC1CC(CC(C)C(=O)Nc2nncs2)C(=O)O1,CID650234,,,,,,,,,,,,,0.0,,,,
CC(CC1CC(C)(C)OC1=O)C(=O)Nc1nncs1,CID2937723,,,,,,,,,,0.0,,,,,,,
CN1CCN(c2nc(-c3ccncc3)nc3ccccc23)CC1,CID820817,,,0.0,,,,0.0,0.0,,,,0.0,,,,,
CCN1CCN(c2nc(-c3ccncc3)nc3ccccc23)CC1,CID1899390,,,,,,,,,,,,0.0,,,,,
CC(C)NC(=O)NC(=O)COC(=O)c1cc[n+]([O-])cc1,CID2392142,,,,,,,,,,,,,,0.0,,,
Cc1cc(N(C)C)cc(C)[n+]1[O-],CID877440,,,,0.0,,,,,,,,,,,,,0.0
CCOC(=O)C1CCN(C(=O)CCCN2C(=O)c3ccccc3C2=O)CC1,CID1294388,,,,,,,,0.0,,,0.0,,,,0.0,,
O=C(CCCN1C(=O)c2ccccc2C1=O)N1CCCCC1,CID802386,,,,,,,,,,,,,,0.0,,,
COc1ccc(-n2nnnc2-c2cnc3cc4c(cc3c2C)OCO4)cc1,CID1046842,,,,,,,,,,,,,,,0.0,,
Cc1c(-c2nnnn2-c2ccc(F)cc2)cnc2cc3c(cc12)OCO3,CID735598,,,,,,0.0,,,,,,,,,,,
O=C(CSc1nnc(-c2ccc(Cl)s2)o1)N1CCOCC1,CID866866,,,,0.0,,,,,,,,,,,,,
O=C(CSc1nnc(-c2cccs2)o1)N1CCOCC1,CID865186,0.0,0.0,,,,,,,,,,,,,0.0,,
CCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1ccco1,CID2157330,,,,,,,0.0,0.0,,,,,0.0,,,,0.0
CCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1ccc(Br)o1,CID2157316,,,,,,,,,0.0,,0.0,,,,,,0.0
CC(C)=C1C(=O)NN(c2ccc(C)c(Cl)c2)C1=O,CID621951,,,,,,,,,,,,,,0.0,,,
CC(C)=C1C(=O)NN(c2cccc(Cl)c2)C1=O,CID825518,,,,,,,,,,,,,,0.0,,,
Cc1ccc(-c2noc(CSc3nnnn3-c3ccccc3)n2)cc1,CID1225794,0.0,,,,0.0,,0.0,,,,0.0,,0.0,,,,
c1ccc(-c2noc(CSc3nnnn3-c3ccccc3)n2)cc1,CID707117,0.0,,,,0.0,,,,,,,,0.0,,,,
COc1ccc2c(CC(=O)N(C)CC3COc4ccccc4O3)coc2c1,CID2999146,,,0.0,,,,,,,0.0,0.0,,,,,,
Cc1ccc2c(CC(=O)NCC3COc4ccccc4O3)coc2c1,CID2999286,,,,,,,,,,,,,,,,0.0,
Cc1nnc(NC(=O)Cn2c(=O)sc3ccccc32)s1,CID4609969,,,,,,0.0,,,,,,,,,,,
CCCc1nnc(NC(=O)Cn2c(=O)sc3ccccc32)s1,CID649795,0.0,,0.0,0.0,,,,,0.0,0.0,,,0.0,,,,
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCCC(C(=O)NCCc2ccc(Cl)cc2)C1,CID3242505,,,,,0.0,,,,0.0,,,,0.0,,,,
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCCC(C(=O)NCCc2ccccc2)C1,CID3245157,,,,,0.0,,,0.0,,,,,0.0,,,,
Cc1cc(=O)oc(C)c1C(=O)NCC(C)NC(=O)c1c(C)cc(=O)oc1C,CID659237,,,0.0,,,,0.0,,,,,,,,,,
Cc1cc(=O)oc(C)c1C(=O)NCCNC(=O)c1c(C)cc(=O)oc1C,CID659334,,,,,0.0,,,,,,,,,,,,
COc1cc(Cn2ccnc2)c(OC)cc1Cn1ccnc1,CID659236,,0.0,,,,,,,,,,,,,0.0,,
Cc1cc(Cn2ccnc2)c(C)cc1Cn1ccnc1,CID658311,,0.0,,0.0,,,,,,,,0.0,,,,,
COc1cc2nc(SCC(=O)NCc3ccco3)n(Cc3ccc(Cl)cc3)c(=O)c2cc1OC,CID3241053,,,,,0.0,,,,,,,0.0,,,,,0.0
O=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1)NCc1ccco1,CID2275018,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)cc1,CID3241055,,,,,,,,0.0,0.0,0.0,,,,,,0.0,
CCOc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)cc1,CID3238141,,,,0.0,,,,,,,0.0,,0.0,,,0.0,0.0
Cc1nn(Cc2ccccc2)c(N)c1-c1ccccc1,CID684795,,,0.0,0.0,,,,,,,,,0.0,,,0.0,
COc1ccc(-c2c(C)nn(Cc3ccccc3)c2N)cc1,CID970025,,,,,,0.0,,,,,,,,,,,
NC(=O)c1oc2ccc(Cl)cc2c1NC(=O)CN1CCOCC1,CID567932,,,,,,,,,,,,0.0,,,,0.0,
CCOC(=O)c1oc2ccccc2c1NC(=O)CN1CCOCC1,CID568026,,,,,,,,,,,,,,0.0,,,
CCOC(=O)CNc1c(-c2ccc(F)cc2)nc2cnccn12,CID3240115,,0.0,,,,,,,,,,,,,,,
CCOC(=O)CNc1c(-c2ccc(Cl)cc2)nc2cnccn12,CID3243402,0.0,0.0,,,,,,,,,,,,,,,0.0
Cc1cc(C(=O)CSc2nncs2)c(C)n1-c1ccc2c(c1)OCO2,CID2532225,0.0,,0.0,,0.0,,,,0.0,,0.0,,,,0.0,,
Cc1nnc(SCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)s1,CID2507423,0.0,0.0,0.0,,0.0,0.0,,,0.0,,,,,0.0,,,
O=C(COc1ccccc1)NCC(=O)NC1=NCCS1,CID1538539,,,,0.0,0.0,,,,,,,,0.0,0.0,,,
CC(NC(=O)COc1ccccc1)C(=O)NC1=NCCS1,CID2918581,,0.0,0.0,0.0,0.0,,,0.0,,,,,0.0,,,0.0,
CC1CCCN(S(=O)(=O)c2ccc(NC(=O)CCN3C(=O)c4ccccc4C3=O)cc2)C1,CID9552049,,,,,,0.0,,,,,,,,,,,
CC1CCN(S(=O)(=O)c2ccc(NC(=O)CCN3C(=O)c4ccccc4C3=O)cc2)CC1,CID2937288,,,,,,,,,0.0,,0.0,,,0.0,,,
Cc1n[nH]c(N/N=C/C2CC=CCC2)nc1=O,CID2788147,,,,,,,,,,,,,,0.0,,,
O=c1cn[nH]c(N/N=C/C2CC=CCC2)n1,CID3843896,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(CC(=O)NC(=O)NCc3ccccc3)CC2)c1C,CID9552044,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)NC(=O)NCc3ccccc3)CC2)c1,CID2997535,,,0.0,0.0,0.0,,,,,,,,,,,,
Nc1nonc1NC(=O)CSc1ncccc1C(=O)O,CID2064175,,,,,,,0.0,,,,,0.0,,,,,
CC(=O)Nc1nonc1NC(=O)CSc1ccccn1,CID715902,,,,,,,,,0.0,,,0.0,0.0,,,,0.0
COC(=O)c1sccc1NC(=O)Nc1ccc(Cl)c(Cl)c1,CID771147,,,,,,,,,,,,,,,0.0,,
COC(=O)c1sccc1NC(=O)Nc1cccc(Cl)c1Cl,CID969989,,,,,,,,,,,,,,,0.0,,
COc1cccc(N2CCN(c3ncccn3)CC2)c1,CID198996,,0.0,0.0,0.0,,,,,,,,,0.0,,,,
c1ccc(N2CCN(c3ncccn3)CC2)cc1,CID5190582,,,,,,0.0,,,,,0.0,,,,,,
O=C(CSc1ncccn1)n1c2c(c3ccccc31)CCCC2,CID851608,,,,,,0.0,,,,,,,,,0.0,,
Cc1ccnc(SCC(=O)n2c3c(c4ccccc42)CC(C)CC3)n1,CID2981436,,,,,,,,,,,,0.0,,0.0,,,
O=C(Nc1cccnc1)C1(c2ccccc2)CCCC1,CID744343,,,,,,,,0.0,,,,0.0,0.0,,0.0,,
O=C(Nc1cccnc1)C1(c2ccc(Cl)cc2)CCCC1,CID2112301,,,,,,,,,,,,,,0.0,,,
CNc1nc(CCN2C(=O)c3ccccc3C2=O)cs1,CID1473045,,,,,,,,,,,,0.0,,,,,
Cc1nc(CCN2C(=O)c3ccccc3C2=O)cs1,CID1473461,,,,,,0.0,,,,,,0.0,,,,,
CCc1ccccc1NC(=O)c1ccccc1Sc1ccc([N+](=O)[O-])cc1Cl,CID2195501,,,,,,,,,,,,,,,0.0,,
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(Br)cc1,CID1328800,,,,,,,,,,,,0.0,,,,,
CC1(C)Cc2c(c(N3CCOCC3)nc3snc(Br)c23)CO1,CID658865,,,,,,,,,0.0,,0.0,,,,,,0.0
CC1(C)Cc2c(c(N3CCOCC3)nc3snc(N)c23)CO1,CID660210,,0.0,,0.0,,,,,0.0,,,,,,,,
Cc1ccc2nc(-c3ccc(N)cc3)cc(-c3ccccc3)c2c1,CID1360388,,,,,,0.0,,,,,,,,,,,
Cc1ccc2nc(-c3ccc(NS(C)(=O)=O)cc3)cc(-c3ccccc3)c2c1,CID1264813,,,,,,0.0,,,,,,,,,,,
CCOc1nc(C)ccc1-c1noc(CC)n1,CID852897,,,,,,,,,,,,,,,0.0,,
CCOc1nc(C)ccc1-c1noc(C)n1,CID663419,,,,,,0.0,,,,0.0,0.0,,,,0.0,,
CCN(C(=O)CSc1nc2ccccc2n1CCc1ccccc1)C1CCS(=O)(=O)C1,CID4878503,,,,,,,,,,0.0,,,,,,,
CN(C(=O)CSc1nc2ccccc2n1CCc1ccccc1)C1CCS(=O)(=O)C1,CID2997899,,,0.0,0.0,,,,,,,0.0,,,,,,
COc1ccc(N2C(=O)CC(NCc3cccs3)C2=O)cc1,CID661792,0.0,,,,0.0,0.0,0.0,,,,,,,,,,
O=C1CC(NCc2cccs2)C(=O)N1c1ccc(Cl)cc1,CID2882225,,,,,,0.0,,,,,,,,,,,
Cc1cc2c(c(=O)n1Cc1ccccn1)C(c1ccc3c(c1)OCO3)C(C#N)=C(N)O2,CID661796,0.0,,,,,,,0.0,0.0,0.0,0.0,,,,,,
COc1cc(C2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccn4)c(=O)c32)cc2c1OCO2,CID661765,0.0,,,,,,,,,,,,,,,0.0,
Cc1ccc2nsnc2c1NC(=O)c1ccc2c(c1)OCCO2,CID714299,,,,,,0.0,,,0.0,0.0,0.0,,,,,,
O=C(Nc1cccc2nsnc12)c1ccc2c(c1)OCCO2,CID2890586,0.0,0.0,,,0.0,,,,0.0,,0.0,,,,,,0.0
Cc1cc(C)c(C#N)c(Sc2nnnn2-c2ccccc2)n1,CID714295,,,,,,,,,0.0,,,,,,,,
Cc1nc(Sc2nnnn2-c2ccccc2)c(C#N)c(C)c1C,CID713785,,,,,0.0,,,,,0.0,0.0,,,,0.0,,
CC(=O)c1cc(-c2ccccc2)n(CC(=O)N2CCC(C)CC2)c1C,CID4983070,,,,,,,,,,,0.0,,,,,,
CC(=O)c1cc(-c2ccccc2)n(CC(=O)N2CCCCC2)c1C,CID3672746,,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1cc2ccccc2o1,CID1361439,0.0,,0.0,,,,,0.0,0.0,,0.0,,,,,,
Cc1c(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)oc2ccccc12,CID651807,0.0,,0.0,,0.0,,0.0,,0.0,,0.0,0.0,0.0,,,,
Cc1cc(-n2c(C)cc(C(=O)CN3C(=O)NC4(CCCCC4)C3=O)c2C)no1,CID2622690,0.0,,,,,,0.0,0.0,0.0,,0.0,,,,,,
Cc1cc(-n2c(C)cc(C(=O)CN3C(=O)NC4(CCCCC4C)C3=O)c2C)no1,CID2999761,0.0,,,0.0,0.0,,,0.0,,,0.0,0.0,0.0,,,,
O=C1CC(c2ccccc2F)c2cc3c(cc2N1)CCC3,CID3158403,,,,,,0.0,,,,,,,,,,,
O=C1CC(c2cc(F)ccc2F)c2cc3c(cc2N1)CCC3,CID2959819,,,,,,,,,,,,,,,0.0,,
Cc1cccc(CCNS(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)c1,CID9551361,,,,,,0.0,,,,,0.0,,,,,,
Cn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)NCCc3ccccc3)ccc21,CID1505949,,0.0,,0.0,,,0.0,0.0,0.0,,,,,,,,0.0
Cc1noc(/C=C/c2ccco2)c1S(=O)(=O)N1CCC(C(=O)N2CCc3ccccc32)CC1,CID9551364,,,,,,0.0,,,,,,,,,,,
Cc1noc(/C=C/c2ccco2)c1S(=O)(=O)N1CCC(C(=O)N2c3ccccc3CC2C)CC1,CID5771434,,,,,,0.0,0.0,,,,,,,,,,
Cn1ncc(C#N)c1NC(=O)c1cc(-c2ccccc2Cl)on1,CID1093882,,,,,,0.0,,,,,0.0,,,0.0,,,
Cc1ccc(-c2cc(C(=O)Nc3c(C#N)cnn3C)no2)cc1,CID1093810,,0.0,,0.0,,,,,,,,0.0,,,0.0,,
Cc1ccc(C(=O)Nc2c(C(=O)N3CCOCC3)cnn2-c2ccccc2)cc1,CID1372063,0.0,,,,,,0.0,,,,,,,,,,0.0
O=C(Nc1c(C(=O)N2CCOCC2)cnn1-c1ccccc1)c1ccccc1,CID570276,0.0,,,,,,0.0,,,0.0,,,,,,,
O=C(CSCc1ccc(Cl)cc1)Nc1nccs1,CID709144,,,,,,,,,0.0,,,,,0.0,0.0,,
O=C(CSCc1ccccc1)Nc1nccs1,CID774489,,,0.0,,0.0,0.0,0.0,,,0.0,,,0.0,,,,
Cc1nc2cc(NC(=O)N3CCCCC3)ccc2n1C,CID893502,,,,,,,,,,,,0.0,,,,,
CCOC(=O)C1CCN(C(=O)Nc2ccc3c(c2)nc(C)n3C)CC1,CID893292,,,0.0,,,,,0.0,0.0,,,,0.0,0.0,0.0,0.0,
CCN1CCN(c2ncc3c(n2)CC(c2ccc(OC)c(OC)c2)CC3=O)CC1,CID667302,0.0,0.0,,0.0,,,0.0,,,,,,0.0,,,,
CCN1CCN(c2ncc3c(n2)CC(c2cc(OC)c(OC)c(OC)c2)CC3=O)CC1,CID666079,0.0,,,,,,,0.0,0.0,,,0.0,0.0,,,,
COc1ccccc1CNC(=O)CN1CCN(S(=O)(=O)c2cccs2)CC1,CID2425576,,,,,,,,,,,,,,0.0,,,
COc1ccc(CNC(=O)CN2CCN(S(=O)(=O)c3cccs3)CC2)cc1OC,CID2397966,,,,,,,,,,,,,,0.0,,,
COc1ccc(C2c3c(n[nH]c3C)CC(C)(O)C2C(C)=O)cc1OC,CID3244963,,,,,,0.0,,,,,,,0.0,,,,0.0
CC(=O)C1C(c2ccccc2)c2c(n[nH]c2C)CC1(C)O,CID3150944,,,,,,,,,0.0,0.0,,,,,,,
Cc1cc(C(=O)N2CCCC2C(=O)O)c(C)o1,CID579189,,,,,,,,,,,0.0,,,0.0,,,
Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC1C(=O)O,CID596574,,,,,,,,,0.0,,,,,,0.0,,
Cc1sc2nc(SCC(=O)NCc3ccco3)n(Cc3ccccc3)c(=O)c2c1C,CID2081889,,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1sc2nc(SCC(=O)NCc3ccco3)n(Cc3ccccc3)c(=O)c2c1C,CID3236277,,,,,,,,,,,,,,,,0.0,
CCOC(=O)c1c(NC(=O)CSc2nnc(-c3cccnc3)n2Cc2ccco2)sc(C)c1C,CID2544502,,0.0,0.0,0.0,,0.0,,,,0.0,0.0,0.0,0.0,,,,0.0
COC(=O)c1c(NC(=O)CSc2nnc(-c3cccnc3)n2Cc2ccco2)sc(C)c1C,CID654751,,0.0,,,0.0,,,,,,,0.0,0.0,,,0.0,0.0
Nc1ccccc1SCC(=O)Nc1ccc(N2CCOCC2)cc1,CID1481586,,,,,,0.0,,,,,0.0,,,,,,
O=C(CSc1ccccc1)Nc1ccc(N2CCOCC2)cc1,CID2342604,,,,,,,,,,,0.0,0.0,,,,,
C#CCSc1nnc(CSc2nc3ccccc3s2)n1-c1ccccc1,CID2132822,,,,,,,,,0.0,,0.0,,,,,,
N#CCCCSc1nnc(CSc2nc3ccccc3s2)n1-c1ccccc1,CID2105612,,,,,0.0,,0.0,,,,,0.0,,,,,
Cc1ccc(Nc2nc(C3CC3)cs2)cc1,CID714146,,,0.0,0.0,0.0,,,,,0.0,,,,,,,
Clc1ccc(Nc2nc(C3CC3)cs2)cc1,CID714147,,,,,,0.0,,,,,,,,,,,
COCCCNC(=O)c1ccc2nc3ccccc3c(=O)n2c1,CID3235801,,,,,,,,,,,,,0.0,,,,
O=C(O)c1cccn2c(=O)c3ccccc3nc12,CID646625,,,0.0,0.0,,,,0.0,,,,,0.0,,,,
Cc1cccc(NC(=O)CCNS(=O)(=O)c2cccc3nsnc23)c1,CID3235802,,0.0,0.0,,0.0,,0.0,,0.0,0.0,0.0,,0.0,,,,
CC(=O)c1cccc(NC(=O)CCNS(=O)(=O)c2cccc3nsnc23)c1,CID3239184,,,,,0.0,,,,0.0,,,,,,,0.0,
CC(C)n1c(N2CCN(CC(=O)NCc3cccs3)CC2)nc2ccccc21,CID646377,,,,,,,,,,,0.0,,,,,,
CCCn1c(N2CCN(CC(=O)NCc3cccs3)CC2)nc2ccccc21,CID649881,,,,0.0,,,,,,,,,,,,,
Cc1cnc(NC(=O)CSc2nnc(-c3cccs3)n2C)s1,CID646372,,0.0,,0.0,0.0,,,,0.0,,,,,,0.0,,
Cc1csc(NC(=O)CSc2nnc(-c3cccs3)n2C)n1,CID652928,,0.0,,,0.0,,,,0.0,,,0.0,,,,0.0,
COc1ccc2cc3cc(C(=O)N4CCN(Cc5ccc6c(c5)OCO6)CC4)oc3nc2c1,CID3242345,,0.0,,,0.0,,,,,,,,,,,,
O=C(c1cc2cc3ccc(Cl)cc3nc2o1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID3239919,0.0,,,,,,,,,,0.0,,,,,0.0,0.0
COc1ccccc1N1CCN(C(=O)Oc2ccccc2)CC1,CID792775,,,,,,,,,,,,0.0,,,,,
O=C(Oc1ccccc1)N1CCN(c2ccc(F)cc2)CC1,CID887452,,,0.0,0.0,,0.0,,,,,,,,,0.0,,
CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n1cncn1,CID41368,0.0,,0.0,0.0,,,,,,0.0,,,,,,0.0,0.0
CC(C)(C)C(=O)C(CO)(Oc1ccc(Cl)cc1)n1cncn1,CID2997574,0.0,,,0.0,,0.0,0.0,,,0.0,,,,,,,0.0
Cc1ccc(OCC2Cn3c(nc4c3c(=O)n(C)c(=O)n4C)O2)cc1,CID665551,,,,,,,,0.0,,,0.0,,,,,,0.0
Cc1ccccc1OCC1Cn2c(nc3c2c(=O)[nH]c(=O)n3C)O1,CID656257,,,,0.0,,,,,,0.0,,,,,,,
CCC(C)(C)n1nnnc1CN1CCC(NC(=O)c2ccc(Br)cc2)CC1,CID1443840,,,,,,,,,0.0,,0.0,,,,,,
COCCn1nnnc1CN1CCC(NC(=O)c2ccc(Br)cc2)CC1,CID655627,,,,,,,,,0.0,,,0.0,,,,0.0,0.0
Cc1ccc(C#N)c(SCc2cc3c(cc2Cl)OCO3)n1,CID661515,0.0,0.0,,,0.0,,,,,0.0,,,,0.0,,,0.0
Cc1cc(C)c(C#N)c(SCc2ccc3c(c2)OCO3)n1,CID976746,0.0,,,,,,,,,,,0.0,0.0,0.0,,,
CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)sc2nc(-c4ccccc4)cn23)CC1,CID3238898,0.0,,0.0,,,,,,,,,,,,,,1.0
CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)sc2nc(-c4ccc(OC)cc4)cn23)CC1,CID3237208,0.0,,0.0,,0.0,,,,,,,,,,,,
COc1ccc(OC)c(S(=O)(=O)NCc2csc(-c3ccccc3)n2)c1,CID3244156,,,,,,,,,,,0.0,,,,,,
COc1ccc(-c2nc(CNS(=O)(=O)c3cc(OC)ccc3OC)cs2)cc1,CID5310503,,0.0,,0.0,,,,,,,,,,,,,
CCOc1cc2[nH]c(=S)n(CCc3ccc(OC)c(OC)c3)c(=O)c2cc1OCC,CID3261615,,,,,,0.0,,,,,,,,,,,
O=c1c2ccccc2[nH]c(=S)n1CCc1ccccc1,CID696887,,,,,,,,,,,,,,,0.0,,
Cn1c(N)cc(=O)n(Cc2ccccc2)c1=O,CID9547719,,,,,,,,,,,,,,,0.0,,
CCOC(=O)CCn1cc(F)c(=O)n(Cc2ccccc2)c1=O,CID805490,,,,,,,,,,,,0.0,,,,,0.0
Cc1ccc2nc(NC(=O)C3CCN(S(=O)(=O)c4cccc5nsnc45)CC3)sc2c1,CID3239729,,,,,0.0,,,,,,,,,,,,
COc1ccc2nc(NC(=O)C3CCN(S(=O)(=O)c4cccc5nsnc45)CC3)sc2c1,CID3239273,,,,,0.0,,,,,,0.0,0.0,,,,,
Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2ccc(S(=O)(=O)N3CCCCC3)cc12,CID3239724,,,,,0.0,,,,,,,,0.0,,,,
Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2ccc(S(=O)(=O)N3CCC(C)CC3)cc12,CID3241867,,,,,,,,,,0.0,0.0,,,0.0,,,
Cc1ccc2cc3cc(C(=O)NCc4ccc5c(c4)OCO5)oc3nc2c1,CID3239723,0.0,,0.0,,,,0.0,,,,,,,,,,0.0
COc1ccc2cc3cc(C(=O)NCc4ccc5c(c4)OCO5)oc3nc2c1,CID3244823,,,,,,,,,,,,,,,,0.0,
CC1Cc2ccccc2N1C(=O)CCS(=O)(=O)c1cccs1,CID3237981,,,,,,,,,,0.0,,,0.0,,,0.0,
O=C(CCS(=O)(=O)c1ccc(Br)s1)N1CCc2ccccc21,CID3238964,,,,,,,,,0.0,,,,,,,0.0,
COc1ccccc1N1CCN(C(=O)C2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1,CID3237980,,0.0,,,,,,,,,,,,,,,0.0
O=C(C1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CCN(c2ccccc2)CC1,CID3237285,,,,,,,,0.0,,,,,,,,,
O=S(=O)(NCCc1cn2ccccc2n1)c1ccc(F)c(C(F)(F)F)c1,CID5310551,,,,,,,,0.0,,,,,,,,,
Cc1ccn2cc(CCNS(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)nc2c1,CID7150791,,,,,,,,,0.0,,,0.0,,,,,
Cc1ccc(C(=O)Nc2cccc(C(=O)N3CCN(C)CC3)c2)cc1,CID2301935,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(=O)Nc2cccc(C(=O)N3CCN(C)CC3)c2)cc1,CID1265420,0.0,0.0,0.0,,,,,0.0,0.0,,,0.0,,,,,0.0
CCn1c(SCC(=O)Nc2cc(C)on2)nnc1-c1cccs1,CID1071898,0.0,,,,0.0,0.0,,,0.0,0.0,0.0,,,,0.0,0.0,0.0
Cc1cc(NC(=O)CSc2nnc(-c3cccs3)n2N)no1,CID2567295,,,,,,,,,0.0,0.0,,0.0,,,,,
CCS(=O)(=O)N1CCN(C(=O)COc2ccc(-c3ccccc3)cc2)CC1,CID1151581,,,,,,,,,,0.0,,,,,,,
CCCS(=O)(=O)N1CCN(C(=O)COc2ccc(-c3ccccc3)cc2)CC1,CID1151703,,,0.0,,0.0,,,0.0,,0.0,0.0,,0.0,,,0.0,
Cc1ccccc1-c1nnc(SCC(=O)NCc2ccc3c(c2)OCO3)n1C,CID2090086,,,,,,,,,,,0.0,,,,,,
Cc1cccc(-c2nnc(SCC(=O)NCc3ccc4c(c3)OCO4)n2C)c1,CID2519136,,,,,,0.0,,,,,,,,,,,
O=C(CN1CCCC1)Nc1ccc(NC(=O)Nc2ccccc2)cc1,CID645665,0.0,,,,,,,,0.0,,,,,0.0,,0.0,
O=C(CN1CCCC1)Nc1ccc(NC(=O)Nc2ccccc2Cl)cc1,CID656246,0.0,,,,,,,,,,,,,,,0.0,
Nc1nonc1-c1noc(-c2ccccc2)n1,CID659785,,0.0,,0.0,,,,,,,,,,,,,
Nc1nonc1-c1noc(-c2ccccc2Br)n1,CID603377,0.0,,,,,,0.0,,0.0,,,,,0.0,,0.0,
CCC1(N(C(C)=O)c2ccc(OC)cc2)C(=O)c2ccccc2C1=O,CID870686,,0.0,0.0,,,,0.0,,,,0.0,,,0.0,0.0,0.0,
CC(=O)Nc1ccc(NC2(C)C(=O)c3ccccc3C2=O)cc1,CID2835708,0.0,,,0.0,,,,,0.0,,0.0,,0.0,,,,
Cc1ccccc1C(=O)c1ccc2c(c1)n(C)c(=O)n2C,CID658473,0.0,,,,0.0,,,,0.0,0.0,,,,,,,
Cn1c(=O)n(C)c2cc(C(=O)c3ccccc3)ccc21,CID605217,0.0,,,0.0,0.0,,,,0.0,0.0,,,,,,,
CCN1C(=O)/C(=C/N(C)c2ccccc2)OC1=S,CID3235580,,,,0.0,,,,0.0,,,,0.0,0.0,,,,0.0
CCN1C(=O)/C(=C/Nc2ccccc2)OC1=S,CID5756988,,,,,,0.0,,0.0,,,,,,,,,
Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)N1CCc2ccccc2C1,CID903464,,,,,,,,,,,,,,,0.0,,
Cc1cc([N+](=O)[O-])nn1CC(=O)N1CCc2ccccc2C1,CID781440,,,,,,,,,,,,,,0.0,,,
O=C(Nc1cccnc1)c1cccc(NC(=O)c2ccco2)c1,CID762553,,,,0.0,,,,,,,,0.0,0.0,,,,0.0
Cc1ccc(C(=O)Nc2cccnc2)cc1NC(=O)c1ccco1,CID2470083,,,,,,,,,0.0,,,,,,,,
c1ccc2c(CNn3cnnc3)cccc2c1,CID457288,,0.0,,0.0,,,,0.0,,,,,,0.0,,,
Oc1ccc2ccccc2c1CNn1cnnc1,CID1079723,,,,,,,,,,,,,,,0.0,,
COc1ccc(CNC(=O)C(OC(=O)c2ccco2)c2ccc(OC)cc2)cc1,CID3220238,,,,,,,,,,0.0,,,,,,,
CCOc1ccc(C(OC(=O)c2ccco2)C(=O)NCc2ccc(C)cc2)cc1,CID3227613,,,,,,,,,0.0,0.0,,,,,,,
Cc1onc(-c2ccccc2)c1C(=O)Nc1nc(-c2cc(F)ccc2F)cs1,CID2114663,0.0,,0.0,,0.0,,,,,,,,0.0,,,,
Cc1onc(-c2ccccc2)c1C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1,CID2089563,0.0,,0.0,,0.0,,0.0,,,0.0,,,,,,,0.0
CC(C)Oc1ccc(Cc2c(O)[nH]c(=O)[nH]c2=O)cc1,CID653312,,,,0.0,0.0,,,0.0,,,,,,,,,
CCOc1ccc(Cc2c(O)[nH]c(=O)[nH]c2=O)cc1,CID659339,0.0,0.0,,,0.0,,0.0,0.0,,,,,,,0.0,,
C=CCN(C(=O)Nc1ccccc1)C1CC(=O)N(c2ccc(OC)cc2)C1=O,CID2958421,,0.0,0.0,,0.0,,0.0,,0.0,0.0,,,,,,,
C=CCN(C(=O)Nc1ccc(Cl)cc1)C1CC(=O)N(c2ccc(OC)cc2)C1=O,CID2960003,0.0,,0.0,0.0,,,,,,,,,0.0,,,,0.0
CC(C)=C1C2C=CC1C(C(=O)Nc1cccc(C)c1)C2C(=O)O,CID3104488,,0.0,,,,,,,,,,,0.0,,,,0.0
CC(C)=C1C2C=CC1C(C(=O)Nc1cc(C)ccc1C)C2C(=O)O,CID3241229,,,,,,,,,,0.0,,,0.0,0.0,,,0.0
CCCN(Cc1ccc(N(CC)CC)cc1)CC1CC1,CID783342,,,,,,,,,,,,,,,0.0,,
CCCN(Cc1ccc(N(C)C)cc1)CC1CC1,CID782996,,,,,,,,,,,,,,,0.0,,
O=C(O)CCCCCN1C(=O)C2CCCCC2C1=O,CID2854246,,,,,,,,,,0.0,,,,,,,
O=C(O)CCN1C(=O)C2CCCCC2C1=O,CID2770876,,,,,,,,,,0.0,,,,,,,
Cc1ccc(N2CCN(C(=O)CCc3nc4ccccc4[nH]3)CC2)c(C)c1,CID9550165,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C)c(N2CCN(C(=O)CCc3nc4ccccc4[nH]3)CC2)c1,CID5307814,0.0,0.0,,,,,,,,,,,0.0,,,,
O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)NCc1ccc(F)cc1,CID9550167,,,,,,0.0,,,,,,,,,,,
CN(Cc1ccccc1)C(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21,CID6620499,,,,,,0.0,,,,,0.0,,,,,,
O=C(C1CCCN(S(=O)(=O)c2cccc3nonc23)C1)N1CCN(c2cccc(Cl)c2)CC1,CID9550168,,,,,,,,,,,0.0,,,,,,
O=C(C1CCCN(S(=O)(=O)c2cccc3nonc23)C1)N1CCN(c2ccccc2)CC1,CID4525458,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C1CCN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)CC1,CID982228,,,,,,,0.0,0.0,,0.0,,,,,,0.0,
CCOC(=O)C1CCN(C(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)CC1,CID2967331,,,,,,,,,,0.0,,,0.0,,,,
CCN(CCCNC(=O)CC1Oc2ccc(C)cc2NC1=O)Cc1ccccc1,CID5307219,0.0,,,,,,,,,,0.0,,,,,0.0,0.0
CC(C)N(CCCNC(=O)CC1Oc2ccccc2NC1=O)Cc1ccccc1,CID5307419,,0.0,,,,,,0.0,,0.0,,,0.0,,,,
O=C(Cn1c(=O)oc2cc(S(=O)(=O)NCc3ccccc3)ccc21)NCc1ccco1,CID5307218,,,,,,,,0.0,,0.0,,,,0.0,,,
CN(Cc1ccco1)C(=O)Cn1c(=O)oc2cc(S(=O)(=O)NCc3ccccc3)ccc21,CID5307738,,,0.0,,,,,,,,,,0.0,,,0.0,
CCOC(=O)c1cccc(NC(=O)C(NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)C(C)C)c1,CID3237532,,,0.0,,0.0,,,,,,,,,,,,
CC(=O)N1CCc2cc(S(=O)(=O)NC(CC(C)C)C(=O)Nc3cc(C(=O)O)ccc3C)ccc21,CID3245410,,,0.0,,,,,,,,0.0,,,,,,
CCCCCC1CC(=O)N(Cc2ccc(Cl)cc2)C(=O)N1,CID3237533,,,,,,0.0,,,,,,,0.0,,,0.0,0.0
CCCCCC1CC(=O)N(Cc2ccccc2)C(=O)N1,CID3241737,0.0,,,,0.0,,,0.0,,0.0,,,,,,0.0,
O=c1cc(N2CCc3ccccc32)[nH]c(=O)n1-c1ccccc1,CID3237536,,0.0,,,,,,,,,,0.0,,,,,
COc1ccc(-n2c(=O)cc(N3CCc4ccccc43)[nH]c2=O)cc1,CID3241200,0.0,0.0,,0.0,,,,,,,,,,,,,
Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)CCC3)c(C)c1,CID1541680,,,,,,,,,,,,,,0.0,,,
COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC3)cc1,CID1541678,,,,,,,,,,,,,,0.0,,,
Cc1ncc(CO)c2cc(C(N)=O)/c(=N/c3ccccc3)oc12,CID3244493,0.0,0.0,,,,0.0,,0.0,,0.0,,,0.0,,,,
CCOc1ccc(OCC)c(/N=c2\oc3c(C)ncc(CO)c3cc2C(N)=O)c1,CID3238242,,,,0.0,,,0.0,,,,,,,,,,
Cc1nc2ccc(S(=O)(=O)N(C)CC(=O)N3CCc4ccccc43)cc2s1,CID3244496,0.0,,,0.0,0.0,0.0,,,,,,,,,,,
Cc1nc2ccc(S(=O)(=O)NCC(=O)N3CCc4ccccc43)cc2s1,CID3237748,0.0,0.0,,,0.0,,,,,0.0,0.0,,0.0,,,,
CCOC(=O)C1CCCN(C(=O)C2CCN(S(=O)(=O)c3cnc[nH]3)CC2)C1,CID3244499,,,,0.0,,,,,,,,,,,,,0.0
CC1CCN(C(=O)C2CCN(S(=O)(=O)c3cnc[nH]3)CC2)CC1,CID3241075,,0.0,,,,,,0.0,,0.0,,,,,,,0.0
CCOc1cc(/C=N/NC(=O)COc2ccc(C)cc2)ccc1OC(=O)c1cccs1,CID1368416,,,,,,0.0,,,,,,,,,,,
CCOc1cc(/C=N/NC(=O)COc2ccccc2C)ccc1OC(=O)c1cccs1,CID1353554,,,,,,,,,,,,,,0.0,0.0,,
COc1cc(C(=O)CSc2nc3ccccc3o2)cc(OC)c1OC,CID2365424,,,,,,0.0,,,0.0,,,0.0,,,,,0.0
O=C(CSc1nc2ccccc2o1)c1ccccc1,CID684504,,,,,,,,,,0.0,0.0,0.0,,0.0,,,
COc1cccc(CNc2nc(Cl)c(-c3ccc(OC)c(OC)c3)n(-c3ccccc3)c2=O)c1,CID3475529,,,,,,,,,,0.0,,,,,,,
COc1ccc(-c2c(Cl)nc(NCc3ccccc3)c(=O)n2-c2ccccc2)cc1OC,CID990603,,,,,,,,,,,0.0,0.0,,,0.0,,
Cc1nccn1CCCN1C(=O)/C(=C/c2ccc(C#N)cc2)NC1=S,CID5453601,,,,,,0.0,,,,,,,,,,,
N#Cc1ccc(/C=C2\NC(=S)N(CCCn3ccnc3)C2=O)cc1,CID6106925,,,,,,0.0,,,,,,,,,,,
COc1ccc(O)c(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)c1,CID658848,0.0,,,,,,,0.0,,,,,,0.0,,0.0,0.0
Cc1cc(C)c2nc3s/c(=C\c4ccccc4)c(=O)n3c2c1,CID760639,,,,,,,,,,,,0.0,,,,,
CC(C)(C)n1ncc2c(=O)n(CC(=O)c3ccccc3)cnc21,CID3244238,,0.0,,,,,,,,,,,,,,,
CC(C)(C)n1ncc2c(=O)n(CC(=O)c3ccc(Cl)cc3)cnc21,CID3243896,0.0,0.0,,,,,,,,,0.0,,0.0,,,0.0,
COc1cccc(-c2n[nH]c(=S)n2Cc2ccco2)c1OC,CID890765,0.0,0.0,0.0,,0.0,,,,,,0.0,,,,,,
S=c1[nH]nc(-c2ccc(Br)cc2)n1Cc1ccco1,CID3238361,0.0,,,,,,0.0,,0.0,,0.0,,,,,0.0,
Cc1ccccc1/N=C1\c2ccccc2C(=O)C1[N+](=O)[O-],CID16189760,,,,,,,,,,,,,,,0.0,,
CC(=O)C1C(=O)c2c(cccc2[N+](=O)[O-])/C1=N\c1ccccc1C,CID2835740,,,,,,,,,,,0.0,,,0.0,0.0,,
COc1ccc([N+](=O)[O-])cc1N(CC(O)Cn1nnc2ccccc21)S(=O)(=O)c1ccc(C)cc1,CID2909815,,,,,,,,,0.0,,,,,,,,
COc1ccc(N(CC(O)Cn2nnc3ccccc32)S(=O)(=O)c2ccc(C)cc2)cc1,CID647379,,,,0.0,,,,0.0,,,,,,,,0.0,0.0
COc1ccc(S(=O)(=O)N2CCCC(C(=O)NCc3ccncc3)C2)cc1Cl,CID2974774,0.0,0.0,,,0.0,,,,0.0,,,0.0,,0.0,,0.0,0.0
COc1ccc(S(=O)(=O)N2CCCC(C(=O)NCc3ccncc3)C2)cc1,CID2981499,,,,,,,,,,,,,0.0,,,,
Cc1nc2ccccc2n1S(=O)(=O)c1ccc2ccccc2c1,CID804707,,,,,,0.0,,,,,,,,,,,
O=S(=O)(c1ccc2ccccc2c1)n1cnc2ccccc21,CID647417,,,,,,,0.0,0.0,,,,,0.0,0.0,,,
Cc1ccc(NC(=S)NCc2cccn2C)cc1,CID5066116,,,,,,,,,,,0.0,,,,,,
Cc1ccc(C)c(NC(=S)NCc2cccn2C)c1,CID4101062,,,,,,,,,,,,0.0,,,,,
COc1ccccc1/C=C/C1C(C(=O)OCC(C)C)=C(C)N=C2SCCC(=O)N21,CID5322450,,,,,,,,,,,,,,,0.0,,
COCCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1/C=C/c1ccccc1,CID5769061,,,,0.0,,,,0.0,,,,,,,,,
Cc1nc(N)sc1-c1csc(NCc2ccccc2)n1,CID1092475,,,,,,0.0,,,0.0,,,,,,,,
Cc1nc(C)c(-c2csc(NCc3ccccc3)n2)s1,CID655211,0.0,0.0,,0.0,0.0,0.0,0.0,,,0.0,,,0.0,0.0,,0.0,
CCOC(=O)C(C#N)C(Cc1ccccc1)c1ccco1,CID664955,,,,0.0,,,0.0,,,,,,,,,,
CC(=O)NCCC(Cc1ccccc1)c1ccco1,CID665045,,,0.0,,,,,,0.0,0.0,0.0,,0.0,,0.0,,0.0
O=C(Nc1ccc2nc(-c3ccc(Br)o3)[nH]c2c1)c1cccs1,CID664956,0.0,,,,,,0.0,,0.0,,,,,,,0.0,
O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1cccs1,CID828644,,0.0,,,0.0,,,,,,,,0.0,,,,
CCOc1nc(C)ccc1-c1noc(-c2ccccn2)n1,CID664958,,,0.0,0.0,,0.0,,0.0,,,,,,,,,
COc1nc(C)ccc1-c1noc(-c2ccccn2)n1,CID913829,,,,,,,,,,,,,,,0.0,,
CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)C(C(=O)OC)=C1C,CID1880209,,,,,,,,,,,,,,0.0,,,
COC(=O)C1=C(C)NC(=O)/C1=C\c1ccc2c(c1)OCO2,CID5391068,,,,,,0.0,,,,,,,,,,,
CCn1c(SCC(=O)N2CCCC2)nnc1-c1ccc(N)cc1,CID893042,,,,,,,,,,,0.0,,,,,,
CCCCn1c(SCC(=O)N2CCCC2)nnc1-c1ccccc1,CID3180953,,,,,,,,,,,,,,0.0,,,
Cc1ccc(-n2c(Cc3ccccc3)n[nH]c2=S)cc1,CID951880,,,,,,,,,,,,,,,0.0,,
S=c1[nH]nc(Cc2ccccc2)n1-c1ccccc1,CID667526,,0.0,,0.0,,,0.0,0.0,,,,,,,,0.0,
O=C(Cn1cc(C(F)(F)F)ccc1=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1,CID2082035,,,,,0.0,,,,,,,,0.0,,,,
O=C(Cn1cc(C(F)(F)F)ccc1=O)N1CCN(S(=O)(=O)c2ccccc2)CC1,CID3000138,0.0,,,,0.0,,,0.0,0.0,,,,,,,,
Cc1ccccc1-n1c(SCC(=O)c2cc(C)n(C)c2C)nnc1-c1ccncc1,CID2079854,0.0,0.0,0.0,,0.0,,,,,,0.0,,,,,0.0,
Cc1cc(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)c(C)n1C,CID2083153,,,0.0,,0.0,,,,,,0.0,,,,,0.0,
O=C(Oc1ccc(-c2cnc3ccccc3n2)cc1)c1ccc(Br)o1,CID1280563,,,,,,,,,,,1.0,,,,,,
O=C(Oc1ccc(-c2cnc3ccccc3n2)cc1)c1ccco1,CID683777,0.0,,,0.0,,,,0.0,0.0,,,,0.0,0.0,,,
CC(=O)NCCc1ccc(S(=O)(=O)N(C)C2CCS(=O)(=O)C2)cc1,CID2971650,,,,,0.0,,0.0,,,,,,,,,,
COc1ccc(S(=O)(=O)N(C)C2CCS(=O)(=O)C2)cc1OC,CID2974683,,,,,0.0,,0.0,,,,,,,,,,
Cc1ccc(-c2cc(C(=O)Nc3cnn(C45CC6CC(CC(C6)C4)C5)c3)no2)cc1,CID2971659,,,0.0,,,,,,,,,0.0,0.0,,,0.0,0.0
O=C(Nc1cnn(C23CC4CC(CC(C4)C2)C3)c1)c1cc(-c2ccccc2)on1,CID2962287,,,0.0,0.0,,,,,,0.0,,0.0,,,,,
CC(C(=O)N1CCCCC1)n1ncn2cccc2c1=O,CID3240218,,,0.0,,,,,,,,,,,,0.0,,0.0
O=C(Cn1ncn2cccc2c1=O)N1CCCCC1,CID3238990,,,0.0,,,,,,,,,,,,,,
CC(C)C(=O)N1c2ccccc2C(N(C(=O)c2ccc(F)cc2)c2ccccc2)CC1C,CID2853249,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(=O)N(c2ccccc2)C2CC(C)Nc3ccccc32)cc1,CID585635,,,,,,0.0,,,,,,,,,,,
Cc1cc(C)cc(CC2CC(=O)N(c3ccc4c(c3)OCCO4)C2=O)c1,CID2941468,0.0,,,,,,,,,,,,,,,0.0,
Cc1ccc(CC2CC(=O)N(c3ccc4c(c3)OCCO4)C2=O)cc1,CID660661,0.0,,,,,,0.0,0.0,,,0.0,,,,0.0,,
N#Cc1nc(-c2ccc(OCc3ccccc3)cc2)oc1NCc1cccnc1,CID664349,,,,0.0,,0.0,,,,,,0.0,,,,,
N#Cc1nc(-c2ccc(OCc3ccc(Cl)cc3)cc2)oc1NCc1cccnc1,CID664467,0.0,,0.0,,,,0.0,,,,,,0.0,,,,
C=CCn1c(C)cc(C(=O)COC(=O)/C=C/c2cccc(OC)c2)c1C,CID2424508,,,,,,,,,,,,,,,0.0,,
COCC(C)n1c(C)cc(C(=O)COC(=O)/C=C/c2cccc(F)c2)c1C,CID5885717,,,,,,,,,,,,,,0.0,,,
Cc1cc(C(=O)CSc2nnc(N)s2)c(C)n1Cc1ccco1,CID2424504,,,,,,,,,,,,,,0.0,,,
Cc1cc(C(=O)CSc2nncs2)c(C)n1Cc1ccco1,CID2532036,,,,,,,,,,,,,,0.0,,,
CC1CCN(C(=O)c2ccccc2NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1,CID3245954,,,,,0.0,,,0.0,,,,,,,,,
O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1,CID3245349,,,,,,,,,,,,,0.0,,,,
CCN(CC)CCNC(=O)c1ccc2c(=O)n(CCc3ccccc3)c(=O)[nH]c2c1,CID3245957,,,0.0,,,,0.0,,,,,,0.0,,,,
CCOc1cc2[nH]c(=O)n(CCc3ccc(OC)c(OC)c3)c(=O)c2cc1OCC,CID3240040,,,0.0,,,,0.0,,,0.0,0.0,,,,,,
COc1cccc(N2C(=O)CC(c3c[nH]c4ccccc34)C2=O)c1,CID2905116,0.0,,,,,,,,0.0,,,,,,,,0.0
O=C1CC(c2c[nH]c3ccccc23)C(=O)N1c1ccccc1,CID363322,,,,,,,,,,,,0.0,,,0.0,,
O=c1nc2ccccc2c(NS(=O)(=O)c2ccccc2)n1-c1ccccc1,CID1477392,,,,,,,,,,,,,,0.0,,,
O=c1nc2ccccc2c(NS(=O)(=O)c2ccc(Cl)cc2)n1-c1ccccc1,CID1477393,,,,,,,,,,,,0.0,,,,,
CC(=O)c1cccc(NC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c1,CID2210557,,0.0,,,,,,0.0,0.0,0.0,0.0,0.0,,,,0.0,
COC(=O)c1ccccc1NC(=O)Nc1ccc(C(=O)N2CCCC2)cc1,CID2209962,0.0,,,,,,,0.0,0.0,,0.0,,0.0,,,,0.0
CCOC(=O)C1=C(CN2CCSCC2)NC(=O)NC1c1cc(C)ccc1C,CID2976307,,,0.0,,0.0,,,,,,,,,,,,
COC(=O)C1=C(CN2CCSCC2)NC(=O)NC1c1cc(C)ccc1C,CID2983558,,,,,0.0,,,0.0,,,0.0,,,,,,
O=C(c1ccccc1NS(=O)(=O)c1ccc(Br)s1)N1CCOCC1,CID1284913,,,,,,,,,0.0,,,,,,,0.0,
O=C(c1ccccc1NS(=O)(=O)c1cccs1)N1CCOCC1,CID1021998,,,,,0.0,,,,0.0,0.0,0.0,,0.0,,,,
Cc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1NC(=O)CN1CCOCC1,CID663035,,0.0,,,,,,,,,,0.0,,,,,
Cc1nn2c(-c3cccc(NC(=O)CN4CCOCC4)c3)nnc2c2ccccc12,CID1251303,,0.0,,,,,,,,0.0,,,,,,,
CCCNc1c(F)c(F)c2c(C)c3ccccc3nc2c1F,CID2951212,,,,,,,,,,,,,,0.0,,,
Nc1cccc2nc3ccccc3cc12,CID11352,,,,,,0.0,,,,,0.0,0.0,,,,,
COc1ccccc1C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1,CID663038,0.0,,,,,,,,,,,,0.0,,,0.0,0.0
COc1cccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)c1,CID2197185,,,,,,,,,,0.0,,0.0,,,,,
O=C(O)C1=C(C(=O)Nc2ccc(F)c(Cl)c2)CCCC1,CID654370,,,0.0,,,,,,,,,,,,,0.0,
CCc1cccc(C)c1NC(=O)C1=C(C(=O)O)CCCC1,CID650275,,,,0.0,,0.0,,,,,,,,0.0,,0.0,0.0
O=C(Oc1oc(-c2ccco2)nc1/C=N/c1ccc(Cl)cc1)c1ccco1,CID4678346,,,,,,0.0,,,,,,,,,,,
O=C(Oc1oc(-c2ccco2)nc1/C=N/c1ccccc1)c1ccco1,CID660829,0.0,,,,,,,,,,,,,,,,
Cc1ccc(C(=O)OCc2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCCCC1,CID1249003,,,,,,,,,,,,,,0.0,0.0,,
O=C(OCc1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)N2CCCCC2)c1,CID1292483,,,,,,,,,,,0.0,,,0.0,,,
CCOC(=O)C1CCN(C(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2c(C)noc2C)CC1,CID5309528,,,0.0,0.0,,,,0.0,,,,,0.0,,,,
CCOC(=O)C1CCCN(C(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2c(C)noc2C)C1,CID5308925,,,,,,,,,,,,0.0,,,,0.0,
Cc1cc(C)n(C(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)n1,CID1248973,,0.0,,0.0,,,,0.0,,,,,,,,,
Cc1cc(C)n(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n1,CID1526370,,,,,,,,0.0,,,,,,,,,0.0
Cc1ccc2c(c1)C1CN(C)CCC1N2C(=O)Nc1cccc(C(F)(F)F)c1,CID663695,0.0,,,,,,0.0,,,,,,,,,,0.0
Cc1ccc2c(c1)C1CN(C)CCC1N2C(=O)Nc1ccc(Cl)cc1,CID2998086,,,,,,,0.0,,,,,,,,,,0.0
COC(=O)CC1C(=O)NCCN1C(=O)CSc1nnc(Nc2ccc(C)cc2)s1,CID5202335,,,,,,0.0,,,,,,,,,,,
COC(=O)CC1C(=O)NCCN1C(=O)CSc1nnc(Nc2ccc(OC)cc2)s1,CID2997667,,0.0,,,,,,,0.0,,,0.0,,,,0.0,0.0
O=C(CN1C(=O)c2ccccc2C1=O)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1,CID664563,0.0,,,,,,,,,0.0,,,,,,0.0,
Cc1ccc(-c2nnc(N3CCN(C(=O)CN4C(=O)c5ccccc5C4=O)CC3)c3ccccc23)cc1,CID2952468,,,,,,,,,,0.0,,0.0,,,,,
O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1F,CID1245328,,,,0.0,,,,,,,,0.0,,,,,
COc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC2)cc1,CID1245039,,,,,,,,,0.0,,,,,0.0,0.0,,
CCNc1nc(NCC)nc(SCCOC(=O)c2ccccc2)n1,CID1895991,,,,,,,,,,,0.0,,,,,,
CN(C)c1nc(SCCOC(=O)c2ccccc2)nc(N(C)C)n1,CID647787,,0.0,,0.0,0.0,,,0.0,,,0.0,,,,0.0,0.0,
Cc1cc(C)nc(NC2=NC(=O)CC(C(=O)O)N2c2ccc(Cl)cc2)n1,CID3154253,0.0,,0.0,,,,0.0,,,,,,,,,,
Cc1cc(C)nc(NC2=NC(=O)CC(C(=O)O)N2c2cccc(Cl)c2)n1,CID2958737,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C2=[N+]([O-])C3(CCCCC/C3=N\NC(N)=S)N(O)C2(C)C)o1,CID2875884,,,,,,0.0,,,,0.0,,0.0,,,,,
Cc1ccc(C2=[N+]([O-])C3(CCCCC/C3=N\O)N(O)C2(C)C)o1,CID2875913,,,,,0.0,,,0.0,,0.0,,,,,,,0.0
Cc1ccc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)nc1,CID969796,,,,,,,,,,,,,0.0,,,,
Cc1cccc(NC(=O)c2cc(N3C(=O)CCC3=O)ccc2Cl)n1,CID1259038,,,,,,0.0,,,,,,0.0,,,,,
CC1CCN(c2nncc3ccccc23)CC1,CID2999531,,0.0,,,,0.0,,0.0,,0.0,,,,,,,
Cc1nnc(N2CCCCC2)c2ccccc12,CID658368,,,0.0,,,,,,,,,,,,0.0,,
CC1CC(C)(C)NCCNC(C)CC(C)(C)NCCN1,CID143337,,,,,,,,0.0,,,,,,,,0.0,
C1CNCCNCCCNCCNC1,CID64964,,0.0,,,,,,0.0,,,,,,,,0.0,
Cn1cc(CNC(=O)Nc2ccc3c(c2)OCO3)cn1,CID978143,,0.0,,,,,0.0,,0.0,,,,0.0,,,,
CCn1cc(C(C)NC(=O)Nc2ccc3c(c2)OCO3)c(C)n1,CID2955517,,,,,,,,,,,,,,,0.0,,
O=C(CSCc1cccc(Cl)c1)NCc1ccc2c(c1)OCO2,CID978140,,,,,,,,,,0.0,,,,0.0,,,
O=C(CSCc1ccc(Cl)cc1)NCc1ccc2c(c1)OCO2,CID735450,,,,,,,,,,0.0,,,,,,,
CCN(CCCNC(=O)CCNC(=O)Cn1cnc2ccccc2c1=O)c1cccc(C)c1,CID3236930,,0.0,0.0,,,,0.0,,,,,,,,,,
CCN(CCCNC(=O)CCNC(=O)Cn1cnc2ccccc2c1=O)c1ccccc1,CID3237616,,,0.0,,,0.0,0.0,,,,,0.0,,,,,
O=C(CSc1nnc(CN2CCOCC2)n1-c1ccc(Cl)cc1)N1CCc2ccccc21,CID2238579,,0.0,,,0.0,,,,,,0.0,0.0,,,,,0.0
O=C(CSc1nnc(CN2CCOCC2)n1-c1ccccc1)N1CCc2ccccc21,CID2203116,0.0,,0.0,,,,,0.0,,,,,,,,,0.0
COc1ccc(N(CC(=O)NCC2CCCO2)S(=O)(=O)c2c(C)noc2C)cc1,CID3236935,,,,0.0,0.0,,,,0.0,,,,0.0,,,,0.0
Cc1cc(C)cc(N(CC(=O)NCC2CCCO2)S(=O)(=O)c2c(C)noc2C)c1,CID5308697,,0.0,,,,,,0.0,,,,,,,0.0,,
CCCCOc1ccc(OCCCC)c2c1NC1(N2)C(=O)N(C(C)=O)c2ccccc21,CID3239485,,,,,,,,0.0,,,0.0,,,,,,
CC(=O)N1C(=O)C2(Nc3ccccc3N2)c2ccccc21,CID270247,,,,,,,,0.0,,,,,,,,,
Cn1c(=O)[nH]c(=O)c2c1nc(OC(=O)c1ccccc1)n2CC(O)COc1ccccc1,CID659084,,,0.0,,,,,0.0,,,,,0.0,,,,
Cn1c(=O)[nH]c(=O)c2c1nc(OC(=O)c1ccccc1)n2CC(O)COc1ccc(F)cc1,CID657886,,,0.0,,,,,,,,,,,,,,
Brc1ccc(COn2ccnc2)cc1,CID1491058,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)cc(COn2ccnc2)c1,CID1491089,,,,,,,,,,,0.0,,,,,,
Cc1cc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)no1,CID1632275,,,,,,,,,,,,,,,0.0,,
Cc1cc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)no1,CID1632274,,,,,,,,,,,,,,0.0,0.0,,
Cn1c(/N=C/c2cccs2)nc2ccccc21,CID871453,,,,0.0,,,,,,,,,0.0,,,,
C(=N/c1nc2ccccc2[nH]1)\c1cccs1,CID867456,,,,0.0,,,,,,,,,0.0,,,,0.0
COC(=O)c1scc(C)c1N/N=C(\C)c1cc(F)c(Cl)cc1F,CID3664943,,,,,,,,,0.0,,,,,,,,
COC(=O)c1sccc1N/N=C/c1ccc(OC)c(OC)c1OC,CID3329966,,,,,,,,,,,,,,0.0,,,
O=C(NCc1ccco1)c1cc2sccc2n1Cc1ccccc1,CID651472,0.0,,0.0,,0.0,,,,,,,,0.0,,,,
O=C(NCc1ccco1)c1cc2sccc2n1Cc1ccc(F)cc1,CID644788,,,,,,,0.0,,,,,,,,,,0.0
COc1ccc(CCn2nnnc2C(CC(C)C)N2CCN(c3ncccn3)CC2)cc1OC,CID651478,,,,,,,,,,,0.0,0.0,,,,,
COc1ccc(CCn2nnnc2C(C(C)C)N2CCN(c3ncccn3)CC2)cc1OC,CID653535,,,,,,,,,,0.0,0.0,,0.0,,,,
CC(NC(=O)CCC1COc2ccccc2O1)c1ccccc1,CID2965112,,,,,,,,,,,0.0,,,,,,
O=C(CCC1COc2ccccc2O1)NCc1ccccc1,CID2967313,,,,,,,,,,,0.0,,,,,,
O=C1c2ccccc2NC2=NCCN12,CID5310889,,,,,,,,0.0,,,,,,,,,
CN1C2=NCCN2C(=O)c2ccccc21,CID731601,,,,,,,,,,,,0.0,,,,,
CCn1c2ccccc2c2cc(NC(=O)c3ccc(Br)o3)ccc21,CID1721956,,,,,,,,,0.0,,,0.0,,,,,
CCn1c2ccccc2c2cc(NC(=O)c3ccco3)ccc21,CID1717880,0.0,,0.0,,0.0,,,,,,,,,,,,0.0
O=c1c2nnn(Cc3ccccc3)c2ncn1-c1ccccc1,CID672604,,0.0,,0.0,,,,0.0,,,,,,,,,
Cc1nc2c(nnn2Cc2ccccc2)c(=O)n1-c1ccccc1,CID719199,,,0.0,,,,0.0,,,,,0.0,,,0.0,,
COc1ccc(-c2noc(-c3ccccc3-c3ccccc3)n2)cc1OC,CID1307393,,,,0.0,,,,,0.0,,,0.0,,,,0.0,
COc1ccc(-c2noc(-c3ccccc3-c3ccccc3)n2)cc1,CID976183,,,,,,0.0,,,0.0,,,,,,,,
O=S(=O)(Nc1nc2ccccc2nc1Nc1ccccc1)c1ccccc1,CID1067751,,,,,,0.0,,,,,,,,,,,
CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccccc2)cc1,CID1069150,,,,,,,,,,,,,,,0.0,,
CCC(=O)Oc1ccc2c(=O)c(-c3ccc4ccccc4n3)c(CC)oc2c1C,CID2379291,,,,,,,,,,,,,,,0.0,,
Cc1oc2c(CN(C)C)c(O)ccc2c(=O)c1-c1ccc2ccccc2n1,CID5667849,,,,,,0.0,,0.0,,,,0.0,,,,,
COc1ccc(CCN2CC(=O)C(c3nc(C)cs3)=C2N)cc1OC,CID2310651,,,,,,,,,,,0.0,,,,,,
Cc1csc(C2=C(N)N(CCc3ccccc3)CC2=O)n1,CID2310632,,,,0.0,0.0,,0.0,,,,,,0.0,,,,
COc1ccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1O,CID3972699,,,,,,,,,,,,,,,0.0,,
O=C(O)c1ccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1,CID3280153,,,,,,,,,,,,,,0.0,,,
O=[N+]([O-])c1ccc(Cl)cc1NCCOc1ccc(F)cc1,CID2855013,,,,,,0.0,,,,,,,,,,,
COc1cccc(OCCNc2cc(Cl)ccc2[N+](=O)[O-])c1,CID2855627,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C)c(C(=O)COc2ncnc3ccccc23)c1,CID2087443,,,,,,,,,,,,,,0.0,0.0,,
COc1cc(OC)c(C(=O)COc2ncnc3ccccc23)c(OC)c1,CID2108022,,,,,,0.0,,,,,0.0,,0.0,,,,
CN(C)c1nc2c(c(=O)n(C)c(=O)n2C)n1CC(=O)c1cccs1,CID668645,,0.0,,,,,,,,,,,,,,,0.0
Cn1c(=O)c2c(nc(Br)n2CC(=O)c2cccs2)n(C)c1=O,CID991151,,,,,,,,,0.0,,0.0,,,,,,
O=C(CSCc1nc2ccccc2[nH]1)N1CCN(c2ccc(F)cc2)CC1,CID2114543,0.0,,,,0.0,0.0,,0.0,,0.0,,,0.0,,,,
O=C(CSCc1nc2ccccc2[nH]1)N1CCN(c2cccc(Cl)c2)CC1,CID2090188,0.0,0.0,0.0,0.0,0.0,,0.0,,,,0.0,0.0,,,0.0,,0.0
COC1=CC=C/C(=C\Nn2c(C)nc3ccccc3c2=O)C1=O,CID5389218,,,,,,,0.0,,,,,,0.0,,,,
CCCc1nc2ccccc2c(=O)n1N/C=C1\C=CC=CC1=O,CID5389268,,,0.0,,,0.0,,,,,,,0.0,,,,
CCOC(=O)c1c(CN2CCOCC2)n(-c2ccccc2)c2cc(Br)c(OC)cc12,CID1035550,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1c(CN2CCOCC2)n(-c2ccccc2)c2ccc(O)cc12,CID633303,0.0,,,0.0,,,,,0.0,0.0,,0.0,,,,,0.0
Cc1ccc(CCNC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)cc1,CID4089362,,,,,,,,,,,0.0,,,,0.0,,
O=C(NCCc1ccccc1)C1CCCN(S(=O)(=O)c2cccs2)C1,CID5308267,,,0.0,,,,,,,,,,,,,,
O=C(CSc1c2c(nc3cc(Cl)ccc13)CCCC2)NCc1ccco1,CID9551261,,,,,,,,,,,0.0,,,,,,
O=C(CSc1c2c(nc3ccc(Cl)cc13)CCCC2)NCc1ccco1,CID6619472,,,,,,0.0,,,,,,,,,,,
CCc1c(C)n([O-])c2c([n+]1=O)CCC2,CID2266479,,,,,,,0.0,0.0,,,,0.0,,,,,
Cc1c(C)[n+](=O)c2c(n1[O-])CCC2,CID657734,,,,0.0,,,0.0,0.0,,,,,,,,,
Cc1cc(C(=O)N2CCc3ccccc32)c2cc(F)ccc2n1,CID664825,,,,0.0,,0.0,,,,,,,0.0,,,,0.0
Cc1cc(C(=O)N2CCc3ccccc32)c2ccccc2n1,CID2078228,0.0,0.0,,,0.0,0.0,0.0,,,,,,0.0,,,0.0,
CCS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3ccco3)C(c3ccc(C)cc3)C2)cc1,CID2963391,,,,,,0.0,,,,,,,,,,,
CS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3ccco3)C(c3ccc(F)cc3)C2)cc1,CID4608482,,,,,,,,,,,,,,,0.0,,
CN(Cc1ccccc1)C(=O)Cn1cccc1C(=O)c1ccccc1,CID9550241,,,,,,0.0,,,,,,,,,,,
Cc1ccc(CNC(=O)Cn2cccc2C(=O)c2ccccc2C)cc1,CID16011794,,,,,,,,,,,,,,0.0,,,
O=C(Nc1nccs1)c1ccc2c(c1)OCO2,CID669593,,,,,,0.0,,,,,,,,,,,
CCOC(=O)Cc1csc(NC(=O)c2ccc3c(c2)OCO3)n1,CID784187,,,,0.0,,,,,,,,,,,,0.0,0.0
COC(=O)c1sccc1NC(=S)N1CCCC(C)C1,CID9550246,,,,,,,,,,,,0.0,,,,,
COC(=O)c1sccc1NC(=S)N1CCC(C)CC1,CID4610944,,,,,,,,,,0.0,,,,,,,
O=C(c1ccccc1)c1cccn1CC(=O)N1CCN(c2ccccc2)CC1,CID3236541,0.0,,0.0,,,,,0.0,,0.0,0.0,,,,,,
O=C(c1ccccc1)c1cccn1CC(=O)N1CCN(c2ccc(F)cc2)CC1,CID3245198,0.0,,,0.0,,,,,,,,,,,,,0.0
COc1ccc(S(=O)(=O)Nc2cc(C)c(O)c(S(=O)(=O)c3ccccc3)c2)cc1,CID3236547,,,,,0.0,,,,0.0,,,,,,,0.0,
Cc1ccc(S(=O)(=O)Nc2cc(C)c(O)c(S(=O)(=O)c3ccc(C)cc3)c2)cc1,CID2230995,,,,,,0.0,,,,,,,,,,,
Cc1ccc(CNC(=O)CCS(=O)(=O)c2cc(Br)cc3c2N(C(=O)C2CC2)CC3)o1,CID3243862,0.0,,,,,,,,,,,,,,,0.0,
O=C(CCS(=O)(=O)c1cc(Br)cc2c1N(C(=O)C1CC1)CC2)NCc1ccco1,CID3245830,0.0,,,,,,,,,,,,,,,0.0,
CN(Cc1ccccc1)c1ncnc(N)c1[N+](=O)[O-],CID2830404,,,,,,,,,,,,,,,0.0,,
CN(Cc1ccccc1)c1cc(Cl)nc(N)n1,CID1481936,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1c(C)n(C)c2ccc(OC(=O)c3ccco3)cc12,CID917257,,,,,,0.0,,,0.0,0.0,,,,,0.0,,
CC(=O)c1c(C)n(C)c2ccc(OC(=O)c3ccco3)cc12,CID652017,,,0.0,,,,0.0,,,,0.0,,,,,0.0,
CCOc1ccc(C(C)=O)cc1COc1ccc(-n2cnnn2)cc1,CID2110332,,,,0.0,,,,,,,0.0,,,,0.0,,
COc1ccc(C(C)=O)cc1COc1ccc(-n2cnnn2)cc1,CID2565652,,,,,,,,,,0.0,,,,,,,
CC1CN=C(Nc2cccc3ccccc23)S1,CID350843,,,,0.0,0.0,,,,,,,,,,,,
c1ccc2c(NC3=NCCS3)cccc2c1,CID97605,,,,0.0,0.0,,,0.0,,,,,,,,,
Cc1nc2ccccc2n1CC(=O)N/N=C/c1ccccn1,CID781485,,,,,,0.0,,,,,,0.0,,0.0,0.0,,
O=C(Cn1cnc2ccccc21)N/N=C/c1ccccn1,CID760631,,,,,,0.0,,,,,,0.0,,0.0,0.0,,
Cn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(N2CCOCC2)c(Cl)c1,CID992741,0.0,,0.0,,0.0,,,,0.0,,,0.0,,,,0.0,
Cc1ccccc1OCc1nnc(SCC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)n1C,CID2192084,,,,,,,,,,,0.0,,,,,,
Cc1ccc(/C=N/NC(=O)Cn2c(C)nc3ccccc32)o1,CID781483,,,,,,0.0,,,,,,,,0.0,0.0,,
Cc1ccc(/C=N/NC(=O)Cn2cnc3ccccc32)o1,CID696912,,,,,,0.0,,,,,,0.0,,0.0,,,
Cc1ccsc1/C=C/c1ccc2ccccc2n1,CID6056275,,,,,,0.0,,,,,,,,,,,
Oc1cccc2ccc(/C=C/c3cccs3)nc12,CID5738419,,,,,,0.0,,,,,,,,,,,
O=C(O)C1CCCN1C(=O)OCc1ccccc1,CID232388,,,,,,,0.0,,0.0,,,,0.0,,0.0,,
CCOC(=O)C(NC(=O)C1CCCN1C(=O)OCc1ccccc1)C(=O)OCC,CID3242608,,,,,,,0.0,,,,,,,0.0,,,
Cc1nc2ncnn2c(C)c1CCC(=O)NCc1ccc2c(c1)OCO2,CID3244516,,,,0.0,,,,0.0,,,0.0,,,,,,
Cc1nc2nc(C)c(CCC(=O)NCc3ccc4c(c3)OCO4)c(C)n2n1,CID3236517,0.0,,0.0,,,0.0,,0.0,,,0.0,,0.0,,,,
Cc1cccn2cc(CNC(=O)C3CCCCC3)nc12,CID3244515,,,,0.0,,,,,,,,,,,,0.0,
O=C(O)C1CCCCC1C(=O)NCc1cn2ccccc2n1,CID5310048,,,,,,,0.0,,,,,,,,0.0,,
O=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)NCCN1CCOCC1,CID661904,,0.0,,,,,,0.0,,,,,0.0,,,,0.0
Cc1ccc(-c2nn(CC(=O)NCCN3CCOCC3)c(=O)c3ccccc23)cc1,CID1267789,,,,,,,0.0,,,,0.0,,0.0,,,,
CN1c2ccccc2-c2nc3ccccc3n2C1c1ccncc1,CID661906,,,,,,,,,,,,,0.0,,,,
CCN1c2ccccc2-c2nc3ccccc3n2C1c1ccncc1,CID664292,,,,,,,,,,,0.0,,,,,,
O=C(c1coc(=O)c(Br)c1)N1CCOCC1,CID661900,,,,,,,,,,,,,,,,,0.0
O=C(c1ccc(=O)oc1)N1CCOCC1,CID659329,,,,,,,,0.0,,,,,,,,,
CCOC(=O)N1CCN(C(=O)CSc2nnc(COc3ccccc3)o2)CC1,CID5214997,,0.0,,,,,,,,,,,,0.0,,0.0,
CCOC(=O)N1CCN(C(=O)CSc2nnc(COc3ccc(Cl)cc3)o2)CC1,CID4172506,0.0,,,,0.0,,0.0,,,,0.0,,,,,0.0,
O=C(Nc1sc2c(c1C(=O)O)CCC2)c1ccco1,CID675359,,,,,,,,,,,,0.0,,0.0,,,
COC(=O)c1c(NC(=O)c2ccco2)sc2c1C(C(=O)OC)CC2,CID2787417,,0.0,0.0,,,,,,0.0,,,,,,,0.0,
O=C(Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1cc2ccccc2o1,CID1287918,,0.0,,,,,,0.0,,0.0,,0.0,0.0,,,,
O=C(Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1cc2ccccc2o1,CID2199719,0.0,,,,,,,,,,,,,,,,
CC(C)c1[nH]nc2c1C1(CCN(Cc3ccccc3)CC1)C(C#N)=C(N)O2,CID1044643,,0.0,,,,,,,0.0,,0.0,,,,,,
Cc1[nH]nc2c1C1(CCN(Cc3ccccc3)CC1)C(C#N)=C(N)O2,CID759564,,,0.0,0.0,,,0.0,,0.0,,0.0,,,,,0.0,
COc1ccc(CCn2nnnc2C(CC(C)C)N2CCC(C(N)=O)CC2)cc1OC,CID644976,,,0.0,,,,0.0,,,,,0.0,,,,,
COc1ccc(CCn2nnnc2C(C(C)C)N2CCC(C(N)=O)CC2)cc1OC,CID651889,,0.0,,,,,,,,,,,0.0,,,,
COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CCC(C(N)=O)(N2CCCCC2)CC1,CID665103,,,0.0,,,,,,,,,,,,,,
COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CN1CCC(C(N)=O)(N2CCCCC2)CC1,CID664067,,,,,,,0.0,,,,,,,,,,
O=C(Nc1ccc(Nc2ccccc2)cc1)c1ccc(Br)o1,CID1011846,0.0,,,,,,0.0,,,,,,,,,0.0,0.0
O=C(Nc1ccc(Nc2ccccc2)cc1)c1ccco1,CID870393,,,0.0,,,,,0.0,,,,0.0,0.0,,,,
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)no1,CID1011844,,0.0,,0.0,,,,,,,,,,,,,
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)no1,CID647376,0.0,0.0,0.0,,0.0,,,,0.0,,0.0,,,,,,
CCC(C(=O)NC1CCCC1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCCO2,CID652807,,,,,0.0,,,,,,,,,,,0.0,
CC(C(=O)NC1CCCC1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCCO2,CID647205,,,,,0.0,,,,,,,,,,,,
C/C(Cl)=C/CSc1nn2c(=O)c3ccccc3nc2s1,CID838775,,,,,,,,,,,,,,0.0,,,
C=CCSc1nn2c(=O)c3ccccc3nc2s1,CID535193,,,,,,,,,,,,0.0,,,,,
O=C1Nc2c(c(=O)[nH]c(=O)n2-c2ccccc2)C(C(F)(F)F)(C(F)(F)F)N1,CID1256172,,,,,,,,,0.0,,,,,,,,
Cc1ccc(-n2c3c(c(=O)[nH]c2=O)C(C(F)(F)F)(C(F)(F)F)NC(=O)N3)cc1,CID1046783,,,,,,,,,0.0,,,,,,,,
CCCCn1c(O)c(C(=O)Nc2nc3ccccc3[nH]2)c(=O)c2ccccc21,CID652216,0.0,,,,,,,,0.0,,0.0,,,,,0.0,
CCn1c(O)c(C(=O)Nc2nc3ccccc3[nH]2)c(=O)c2ccccc21,CID654742,,,0.0,,,,,0.0,,,,,,,,0.0,
Cc1ccc(C(C(=O)NC(C)(C)C)N(CC2CCCO2)C(=O)Cn2nnc(-c3ccc(C)o3)n2)cc1,CID652215,,,,,,,,,,0.0,,,,,,,
Cc1ccc(-c2nnn(CC(=O)N(CC3CCCO3)C(C(=O)NC(C)(C)C)c3ccc(F)cc3)n2)o1,CID651396,,,,,,,,,0.0,0.0,,,0.0,,,,
O=C(CN1CCC(C(=O)c2ccc(Cl)cc2)CC1)Nc1ccc2c(c1)OCCO2,CID652218,0.0,,0.0,0.0,,,,0.0,,,,,,,,,0.0
Cc1ccc(C(=O)C2CCN(CC(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1,CID644916,,,0.0,,,,,0.0,0.0,,,0.0,,,,,
Cc1cc(C(=O)CSc2nnc(-c3ccccc3)n2C)c(C)n1C,CID2084345,0.0,0.0,,,,,,0.0,,,,,,,,,
CCn1c(SCC(=O)c2cc(C)n(C)c2C)nnc1-c1ccccc1,CID2085296,,,,,,0.0,,,,,0.0,,,0.0,,,
Cc1cc(NC(=O)Cc2cccs2)no1,CID717599,,,,0.0,,,,,,,0.0,,,,0.0,,0.0
O=C(Cc1cccs1)Nc1ccon1,CID1246102,,,,0.0,0.0,,,0.0,,,,,0.0,,,,
Cc1ccc(C(=O)Nc2ccc3c4c(cccc24)CC3)cc1[N+](=O)[O-],CID790976,,,,,,,,,,,,,,0.0,,,
COc1cccc(OC)c1C(=O)Nc1ccc2c3c(cccc13)CC2,CID965835,,,,,,0.0,,,,,,,,,,,
O=C1C=CC=C/C1=C1\NN=C(COc2ccccc2)O1,CID5396615,,,,,,,,,,,0.0,,0.0,,,,
O=C1C=CC=C/C1=C1\NN=C(COc2ccc(Cl)cc2Cl)O1,CID5396616,,,0.0,,,,,,,0.0,,,,,,,
COc1ccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1OC,CID1075431,,,,,,,,,,0.0,,,,,,,
COc1ccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)c(OC)c1,CID1075560,,,,,,,,,,0.0,,,,,,,
COC(=O)c1ccccc1NC(=O)C1CC(=O)N(C2CCCCC2)C1,CID2856288,,,,,,,0.0,0.0,0.0,0.0,,,,0.0,,,
O=C(Nc1ccccc1)C1CC(=O)N(C2CCCCC2)C1,CID2883505,0.0,,0.0,,,0.0,,,,,,,,,0.0,,
CCSc1nnc2c(n1)OC(C)(C)Nc1ccccc1-2,CID2856289,,0.0,,0.0,,0.0,,,,,0.0,0.0,,,,0.0,
CCCCCSc1nnc2c(n1)OC(C)N(C(C)=O)c1ccccc1-2,CID5308337,,,,,,,,,,,0.0,,,,,,
O=C(CSCc1ccccc1Br)NC1CC1,CID882428,,,,,,,,,,,,,,0.0,,,
O=C(CSCc1ccc([N+](=O)[O-])cc1)NC1CC1,CID881735,,,,,,,,,,,,,,0.0,,,
COc1ccc(Cn2nnnc2CN2CCOCC2)cc1,CID653585,,0.0,,0.0,,,,,,,,,,,,,
c1ccc(Cn2nnnc2CN2CCOCC2)cc1,CID1438531,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1N1CC(C)OC(C)C1,CID663171,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1N1CCOCC1,CID662981,,0.0,,,,0.0,,,,,0.0,,,,,,
CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(C)c3C2c2ccco2)cc1,CID663175,,0.0,0.0,,0.0,,,0.0,0.0,,,,,,,,
Cc1ccc(N2C(=O)c3n[nH]c(C)c3C2c2ccco2)cc1,CID662731,0.0,0.0,,,,,,0.0,,,,,,,,,
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCCC2C(=O)O)CC1,CID663178,,,0.0,0.0,,,0.0,,,0.0,,,0.0,,0.0,,
CCCS(=O)(=O)N1CCC(C(=O)N2CCCC2)CC1,CID3243034,,,,,,,,,,,,0.0,,,,,
Cc1ccc2[nH]c3c(c2c1)CN(C(=O)CN1c2ccc(F)cc2CCC1C)CC3,CID4371580,,,,,,0.0,,,,,,,,,,,
Cc1ccc2[nH]c3c(c2c1)CN(C(=O)CN1CCCc2ccccc21)CC3,CID662312,,,,,,,,,,,0.0,,,,,,
Cc1ccc(S(=O)(=O)N2Cc3ccccc3CC2C(=O)Nn2cnnc2)cc1,CID2997815,,,0.0,0.0,,,,0.0,,,,,,,,0.0,
O=C(Nn1cnnc1)C1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1,CID2904613,0.0,0.0,,0.0,,,,,,,,,,,,,
CC1CCCC(C)N1C(=O)COc1ccc(-c2nnco2)cc1,CID2997811,,,,,0.0,0.0,,,,0.0,,,,,,,
CC1CC(C)CN(C(=O)COc2ccc(-c3nnco3)cc2)C1,CID2999070,,,,,0.0,,,,,0.0,,,,,,,
Cc1ccc(-c2nc3sc4c(c3c(=O)n2N)CCCC4)cc1,CID930809,,,,,,,,,,,0.0,,,,,,
Cc1ccccc1-c1nc2sc3c(c2c(=O)n1N)CCCC3,CID2306296,,,,,,,,,0.0,,,,,,,,
CC(c1ccccc1)N1CCn2c(nc3cc(NC(=O)c4cccs4)ccc32)C1,CID2969275,,,,,,,,,,,0.0,,,,,,
O=C(Nc1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1)c1cccs1,CID1507925,0.0,,,,,,,,,,0.0,,,,0.0,0.0,0.0
COCCNS(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)NCCOC)ccc1-2,CID1907335,,,,,0.0,,,,,,,,,,,,
O=C(NCCO)c1cccc2c1C(=O)c1ccccc1-2,CID659234,,,,,,,,0.0,,,,,0.0,,,0.0,
Cc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(C)o2)o1,CID898944,,,,0.0,,,,,0.0,,,,,,,,0.0
O=C(Nc1ccccc1NC(=O)c1ccco1)c1ccco1,CID780806,,,,,,,0.0,,,,,,,,,,0.0
CCC(C)(NC(=O)c1ccccn1)C(=O)NC1CCCCC1,CID3238072,,0.0,0.0,,0.0,0.0,0.0,,,,,,,,,0.0,
CCC(C)(C(=O)NC1CCCCC1)N(C)C(=O)c1ccccn1,CID3236134,,,0.0,,0.0,0.0,,,,,,0.0,,,,,0.0
Cc1ccc2c(c1)N(CC(=O)NC1CCCCC1C)C(=O)CO2,CID3238076,,,,,0.0,,,,,,,,,,,,0.0
Cc1ccc2c(c1)N(CC(=O)NC1CCC(C)CC1)C(=O)CO2,CID3237438,,,,,0.0,,,0.0,0.0,0.0,0.0,,,,,,0.0
CCC(C)NC(=O)CSc1nc2ccccc2c(=O)n1CCCC(=O)NCC1CCCO1,CID3238074,,,0.0,,0.0,,,0.0,,,,,0.0,,,,
COCCCNC(=O)CSc1nc2ccccc2c(=O)n1CCCC(=O)NCC1CCCO1,CID3243571,,,,,0.0,,0.0,,0.0,0.0,,,,,,,
COc1ccc2oc(=O)c(/C(C)=N/NC(=O)c3ccncc3)cc2c1,CID909895,,,,,,,,,,,,,,0.0,,,
C/C(=N\NC(=O)c1ccncc1)c1cc2ccccc2oc1=O,CID909897,,,,,,,,,,,,,,0.0,0.0,,
O=C(NC(=S)N(Cc1ccccc1)Cc1ccccc1)c1ccccc1F,CID1310764,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(=O)NC(=S)N(Cc2ccccc2)Cc2ccccc2)cc1,CID1318054,,,,,,0.0,,,,,,,,,,,
CC(C)OC(=O)C1=C(N)N2C(=O)CSC2=C(C(=O)OC(C)C)C1,CID751468,,,,,,,,,,0.0,,,,,,,
CCOC(=O)C1=C(N)N2C(=O)CSC2=C(C(=O)OC)C1,CID660793,,,,,,,0.0,,,,,,,,,,
N#CC(C(=O)OC1CCCCC1)c1nc2ccccc2nc1N1CCOCC1,CID662303,,0.0,,0.0,,0.0,,0.0,,,0.0,,,,,,
CC1CN(c2nc3ccccc3nc2C(C#N)C(=O)OC2CCCCC2)CC(C)O1,CID662963,,,0.0,,0.0,,,,,,0.0,,,,,,
CC1CN(c2oc(-c3ccco3)nc2S(=O)(=O)c2ccccc2)CC(C)O1,CID2964764,,,0.0,,,,,,,,,,,,,,
O=S(=O)(c1ccccc1)c1nc(-c2ccco2)oc1N1CCOCC1,CID659168,,,0.0,,,,0.0,,0.0,0.0,,,0.0,,,,
Cc1ccc(/C=c2\sc3nnc(-c4ccccc4Cl)n3c2=O)o1,CID3529927,,,0.0,,0.0,0.0,,,,,,,,,,,
O=c1/c(=C/c2ccco2)sc2nnc(-c3ccccc3)n12,CID5289675,,,,,,0.0,,,,,,,,,,,
Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2Cc2ccco2)cc1,CID647227,0.0,,0.0,0.0,0.0,,0.0,,,,,,,,0.0,,0.0
O=C(CSc1nnc(COc2ccccc2)n1Cc1ccco1)Nc1ccc2c(c1)OCCO2,CID1264516,,,,,0.0,,,,,,,,,,,0.0,
CCCn1c(SCC(=O)NCc2ccccc2)nnc1-c1ccncc1,CID1314375,,,,,,0.0,,,,,,,,,,,
CCn1c(SCC(=O)NCc2ccc(C)cc2)nnc1-c1ccncc1,CID2618660,0.0,,0.0,,0.0,,,,,,,,,,,0.0,
COc1ccccc1N1CCN(C(=O)CSc2nc3ncnc(N)c3[nH]2)CC1,CID1252113,,0.0,,,,,,,,0.0,,,,,0.0,,
Nc1ncnc2nc(SCC(=O)N3CCN(c4ccccc4)CC3)[nH]c12,CID1298379,,0.0,0.0,0.0,,,,,,,0.0,,,,0.0,,
CCOC(=O)c1sc2sc(C(=O)OCC)c(CN3CCOCC3)c2c1CN1CCOCC1,CID656276,,,,,0.0,,,,,,,,,,,,
CCOC(=O)c1sc2sc(C(=O)OCC)c(CN3CC(C)OC(C)C3)c2c1CN1CC(C)OC(C)C1,CID3230786,,,,,,,,,,,0.0,,,,,,
Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(-c4ccco4)s3)CC2)cc1,CID656279,,,0.0,,0.0,,,,,,,,0.0,,,0.0,
O=C(Nc1nnc(-c2ccco2)s1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1,CID651894,,,,,,,,,0.0,,,0.0,,,,,
O=c1c2ccccc2[nH]c2ccccc12,CID2015,,,,,,,,,,,,,,0.0,,,
O=c1c2ccccc2[nH]c2ccc(F)cc12,CID2975401,,,,,,,,,,,,,,0.0,,,
Cc1cccc(N(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)S(C)(=O)=O)c1,CID1001148,,,,,,0.0,,,,,,,,,,,
Cc1ccc(N(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)S(C)(=O)=O)cc1,CID1001183,,,,,,0.0,,,,,,,,,,,
CCOC(=O)N1CCN(C(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)CC1,CID1001145,,,0.0,,0.0,,,,,,0.0,,0.0,,0.0,,
CCOC(=O)N1CCN(C(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)CC1,CID1000754,,,0.0,,0.0,,,,,,0.0,,,,,0.0,0.0
Cc1cccc(C)c1NC(=O)C(c1ccccc1)N1CCC2(CC1)OCCO2,CID3241588,,,,,,,,0.0,,,,,0.0,,,,
CC(C)c1ccc(NC(=O)C(c2ccccc2)N2CCC3(CC2)OCCO3)cc1,CID4130027,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1c(C)c(C(=O)NC2CCCCCC2)c(C)n1C,CID3241589,0.0,,,,0.0,,0.0,,0.0,,,,,,,,0.0
CCOC(=O)c1[nH]c(C)c(C(=O)NC2CCCCCC2)c1C,CID3237597,0.0,,,0.0,0.0,,,,,,,,,,,,
COc1ccc(NC(=O)CNS(=O)(=O)c2ccc3nc(C)sc3c2)c(OC)c1,CID3237161,,,,,0.0,0.0,,,,0.0,0.0,,,,0.0,0.0,
COc1cccc(NC(=O)CNS(=O)(=O)c2ccc3nc(C)sc3c2)c1,CID3241954,0.0,,,,0.0,0.0,,,,0.0,,,0.0,,,,
CC1(C)Cc2ccccc2-c2nc3ccccc3c(=O)n21,CID685734,,0.0,0.0,,,0.0,,0.0,,,,,,,,0.0,
COc1cc2c(cc1OC)-c1nc3ccccc3c(=O)n1C(C)(C)C2,CID765894,,,,,,,,,,,,0.0,,,,,
CCn1ccnc1CN(C)Cc1cn(-c2ccc(C)cc2)nc1-c1ccc(F)cc1,CID16192032,,,,,,,,,,,,,,,0.0,,
Cc1cccc(-n2cc(CN(C)Cc3nccn3C)c(-c3cccc(F)c3)n2)c1,CID16191936,,,,,,,,,,,,,,,0.0,,
CCOC(=O)Cc1csc(NC(=O)c2ccncc2)n1,CID2314998,,,,,,,,,0.0,0.0,,0.0,,,,,
CCOC(=O)c1sc(NC(=O)c2ccncc2)nc1C,CID719362,,,,,,,,,0.0,0.0,0.0,0.0,,0.0,,,
Cc1ccc2cc(CCNC(=O)C(=O)c3c(C)[nH]c4ccccc34)c(=O)[nH]c2c1,CID7080795,,,,,,,,,,,,,,0.0,,,
COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)C(=O)c3c[nH]c4ccccc34)cc12,CID7080793,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1[nH]c2ccccc2c1NC(=S)Nc1ccccc1,CID751361,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1[nH]c2ccccc2c1NC(=S)Nc1cccc(C)c1,CID2157260,,,,,,,,,,,,,,0.0,,,
O=C1C=CC=C/C1=C1/CC(c2ccc(F)cc2)N2NC=NC2=N1,CID5389932,,0.0,,,,,,,,,,,,,,,
O=C1C=CC=C/C1=C1/CC(c2ccccc2)N2NC=NC2=N1,CID5389223,,,0.0,,,,,0.0,0.0,,,,,,,,
CN1C(=O)NC(=O)/C(=C/NC2CC3CCC2(C)C3(C)C)C1=O,CID5389937,,,,0.0,,,,0.0,0.0,0.0,,,,,,,
CCCCN1C(=O)NC(=O)/C(=C/NC2CC3CCC2(C)C3(C)C)C1=O,CID5389979,,,,,,,,0.0,,,,,,,,,
Cc1nc2cc(NC(=O)COc3ccccc3C#N)ccc2n1-c1ccccc1,CID4877213,,,,,,0.0,,,,,,,,,,,
Cc1nc2cc(NC(=O)COc3ccc(C#N)cc3)ccc2n1-c1ccccc1,CID2998322,0.0,,0.0,,,0.0,,0.0,,,,,0.0,0.0,,,0.0
Cc1ccc(/C=N/n2c(C)nc3ccccc3c2=O)s1,CID2378045,,,,,,,,,,,,,,,0.0,,
Cc1nc2ccccc2c(=O)n1/N=C/c1cccs1,CID2323523,,,,,,,,,,,,,,0.0,,,
COc1ccc2cc(S(=O)(=O)N3CCOCC3)ccc2c1,CID775826,,,0.0,,,,0.0,,0.0,,,,,0.0,,0.0,
CCOc1ccc2cc(S(=O)(=O)N3CCOCC3)ccc2c1,CID786092,,,,,,,0.0,,0.0,0.0,,0.0,0.0,0.0,0.0,0.0,
O=C(COc1ncnc2ccccc12)NCc1ccc2c(c1)OCO2,CID2357857,,,,,0.0,,,0.0,0.0,,,,,,,,
O=C(COc1ncnc2ccc(Br)cc12)NCc1ccc2c(c1)OCO2,CID2124628,,,,,,,,,,,,,,,0.0,,
Cc1ccc(/C=N/c2sc3c(c2C#N)CCCCC3)o1,CID2357852,,,,0.0,,,,,,,,,0.0,,,,
N#Cc1c(/N=C/c2ccco2)sc2c1CCCCC2,CID658815,,,,,0.0,,,,,,,,,,0.0,,
COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)on2)Cc2ccccc2)cc1,CID2128925,0.0,,0.0,0.0,0.0,,0.0,,0.0,,0.0,,,,,0.0,
CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)on2)Cc2ccccc2Cl)cc1,CID2695487,0.0,,,,0.0,,,,0.0,0.0,0.0,0.0,,,,,
CCOc1nc(Nc2ccc(-c3nc4ccccc4o3)cc2)nc(N2CCOCC2)n1,CID3242834,,,,,,,,,,0.0,,,,,,0.0,
COc1nc(Nc2ccc(-c3nc4ccccc4o3)cc2)nc(N2CCOCC2)n1,CID1306434,,,,0.0,,,0.0,,,,,,0.0,,,,
O=C1C=CC=C/C1=C\NNc1ccccc1,CID5376014,,,,,,,,,,,,,,,0.0,,
CCN(CC)C1=CC(=O)/C(=C/NNc2ccccc2)C=C1,CID5899266,,,,,,0.0,,,,,,0.0,,,,,
CCn1c(-c2ccsc2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1,CID3000203,0.0,0.0,,0.0,0.0,,0.0,,,,0.0,,,,,,0.0
COCCCn1c(-c2ccsc2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1,CID2999044,0.0,0.0,,0.0,,,,,,,0.0,,,,,0.0,0.0
CCOc1ccc(CN2CCCN(C)CC2)cc1,CID763664,,,,,,0.0,,,,0.0,,,,,,,
CN1CCCN(Cc2ccccc2C(F)(F)F)CC1,CID762910,,,,0.0,,,,,,,,,,,,,
Cc1ccc(Cc2cncc(O)c2)cc1S(=O)(=O)O,CID2058458,,,,,,,,,,,,,,,,0.0,
CC(=O)NC(c1ccccc1)c1cccnc1,CID542029,,,,0.0,,0.0,0.0,0.0,,0.0,,,,,,0.0,
COC(=O)c1sc(NC(=O)c2cnccn2)c(C(=O)OC)c1C,CID897880,,,,0.0,,,,,,,,,,,,0.0,0.0
N#Cc1ccsc1NC(=O)c1cnccn1,CID2612950,,0.0,,,,,,0.0,,0.0,,0.0,,,,,
CC(=O)C1=C(O)C(=O)N(c2cc(C(C)(C)C)on2)C1c1ccc(C(C)C)cc1,CID653299,0.0,,0.0,,0.0,,,,,,,,,,,0.0,
CC(=O)C1=C(O)C(=O)N(c2cc(C(C)(C)C)on2)C1c1ccc(Br)cc1,CID651270,0.0,,,,,,,,0.0,,,,,,0.0,0.0,
Cc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CNC(=O)Cn1nc(-c2ccccc2)c2ccccc2c1=O,CID1886804,,,,,,,,,,,0.0,0.0,,,,,
Cc1ccc(-c2nn(CC(=O)NCc3cc(-c4nn(C)c(=O)c5ccccc45)ccc3C)c(=O)c3ccccc23)cc1,CID1397125,,,,,,,,,,,,0.0,,,,,
COc1ccc(C)cc1NC(=O)CN1CCN(C/C=C/c2ccccc2)CC1,CID5943578,,,,,,,,,,,,0.0,,,,,
COc1ccccc1NC(=O)C(C)N1CCN(C/C=C/c2ccccc2)CC1,CID5742502,,0.0,0.0,,,,,,,,,,,,,,
CCOC(=O)c1nnn(-c2nonc2N)c1CN1CCCCCC1,CID651660,,,0.0,,,,,,,,,,0.0,,,,
CC(C)OC(=O)c1nnn(-c2nonc2N)c1CN1CCCCCC1,CID698877,,,0.0,0.0,,,,,0.0,,,,,,,,
COC(=O)c1ccsc1NC(=O)CN1C(=O)CCC1=O,CID5310205,,,,,,,,0.0,,,,,,,,,
CNC(=O)c1ccsc1NC(=O)CN1C(=O)CCC1=O,CID5310046,,,,,,,,0.0,,,,,,,,,
O=C(Nc1ccc(Cl)cc1)c1csc(-c2ccccc2)n1,CID2744454,,,,,,,,,,,,,,0.0,0.0,,
O=C(Nc1cccc(Cl)c1)c1csc(-c2ccccc2)n1,CID1486911,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1c(CN2CCOCC2)n(C)c2cc(Br)c(O)c(CN(C)C)c12,CID1124518,0.0,,,,,,,,0.0,,,,,,,0.0,0.0
Cn1c(CN2CCOCC2)c(C#N)c2ccccc21,CID661393,,,,0.0,,0.0,0.0,0.0,,0.0,,,,,,,
Cc1ccc(CSc2nc3ccncc3n2CC(=O)Nc2cc(C)cc(C)c2)cc1,CID15945488,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C)c(CSc2nc3ccncc3n2CC(=O)Nc2ccc(C)c(C)c2)c1,CID15945568,,,,,,,,,,,,,,0.0,,,
COc1ccc(Br)cc1C1CC(=O)N2CN(Cc3ccccc3)CSC2=C1C#N,CID5308035,0.0,,,,,,,,,,,,,,,0.0,
N#CC1=C2SCN(Cc3ccccc3)CN2C(=O)CC1c1ccccc1F,CID4892641,0.0,,,,,0.0,,,,,,,,,,,
CSc1ccc(C(C(C(=O)c2cccs2)N2CCOCC2)N2CCOCC2)cc1,CID3243655,,,,,,,,,0.0,,,,,,,,
COc1ccc(C(C(C(=O)c2cccs2)N2CCOCC2)N2CCOCC2)cc1OC,CID3237569,,,,,,,,0.0,,,,,,,,0.0,
O=C(Cn1nnc2c(sc3nc4c(c(-c5ccccc5)c32)CCC4)c1=O)c1ccccc1,CID990667,,,,,,,,,,,,0.0,,,,,
Cc1ccc(C(=O)Cn2nnc3c(sc4nc5c(c(-c6ccccc6)c43)CCC5)c2=O)cc1,CID990668,,,,,,0.0,,,,,,,,,,,
Cc1noc(C)c1CS(=O)(=O)c1ccc(Br)cc1,CID1471864,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)Cc2c(C)noc2C)cc1,CID4685085,,,,,,,,,,,,,,0.0,,,
COC(=O)C1=C(C)NC(=O)NC1c1cccc(OC)c1OCc1ccccc1,CID2907250,,,,,,,,,0.0,0.0,,0.0,,0.0,,,
CCCC1=C(C(=O)OCC)C(c2cc(Cl)cc(OC)c2OCc2ccccc2)NC(=O)N1,CID2982199,,,,,,,,,,0.0,,,,,,,
Cc1c(Cl)c(-c2n[nH]c(=S)n2Cc2ccco2)nn1C,CID752864,,,,,,0.0,,,,,,,,,,,
Cc1cc(-c2n[nH]c(=S)n2Cc2ccco2)nn1C,CID4181893,,,,,,,,,,,,,,,0.0,,
CCN1C(=O)CC(N2CCC(Nc3ccc(OC)cc3)CC2)C1=O,CID2983737,,,0.0,,,,,0.0,,,,,,,0.0,,
CCN1C(=O)CC(N2CCC(Nc3ccc(F)cc3)CC2)C1=O,CID2983928,,,,,,,,,,,,,0.0,0.0,,,
COc1ccc(C2CCCN2C(=S)Nc2cccc(Cl)c2C)cc1OC,CID3315384,,,,,,,,,,,,,,,0.0,,
COc1ccc(C2CCCN2C(=S)Nc2ccc(C)cc2Cl)cc1OC,CID3307843,,,,,,,,,,,,,,0.0,,,
COC(=O)c1cccc(COC(=O)c2ccc(CS(=O)(=O)c3ccc(C)cc3)cc2)c1,CID1293861,,,,,,,,,,,0.0,,,,,,
Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)OCc3ccccc3)cc2)cc1,CID1310026,,,,,,,,,,0.0,,,,,,,
Cc1ccc(-c2nnc(-n3nnc4ccccc43)c3ccccc23)cc1,CID6401155,,,,,,0.0,,,,,,,,,,,
Cc1cc2nnn(-c3nnc(-c4ccccc4)c4ccccc34)c2cc1C,CID6402446,,,,,,0.0,,,,,,,,,,,
C=CCSc1nnc2nc3c(nn12)c1cc(C)ccc1n3CC=C,CID2895788,,,,,0.0,,,,,,,,,,,,
CCCSc1nnc2nc3c(nn12)c1ccccc1n3C,CID4450255,,,,,0.0,,0.0,,,,,,,,,,
O=[N+]([O-])c1ccc(Sc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)nc1,CID2942776,,,,,,,,,0.0,,0.0,,,,,,
O=[N+]([O-])c1ccc(Sc2n[nH]c(-c3ccccc3)n2)nc1,CID716982,,,,,,,,,,,0.0,,,,,,
Cc1ccccc1OCC(=O)OCC(=O)NCc1cccs1,CID2450867,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)cc(OCC(=O)OCC(=O)NCc2cccs2)c1,CID2364031,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1OCc1nnc(SCC(=O)Nc2ccc3c(c2)oc2ccccc23)n1C,CID2192080,0.0,,,,,,,0.0,,,0.0,,,,,,0.0
COc1cc2c(cc1NC(=O)CSc1nnc(COc3ccc(Cl)cc3)n1C)oc1ccccc12,CID2120194,,,,,,0.0,,,,,,0.0,,,,,
Cc1nn(C)cc1C(C(=O)NC1CCCCC1)N(C(=O)Cc1cccs1)c1ccc(F)cc1,CID3191222,,,,,,,,,,,,,,,0.0,,
CCc1ccc(N(C(=O)Cc2cccs2)C(C(=O)NC2CCCCC2)c2cn(C)nc2C)cc1,CID3191217,,,,,,,,,,,,0.0,,,,,
Cc1ccc2c(C(=O)CN3CCCC3)c(C)[nH]c2c1,CID660165,0.0,0.0,0.0,0.0,,0.0,,,,,,0.0,,,,0.0,
Cc1[nH]c2ccccc2c1C(=O)CN1CCCC1,CID722361,,,,0.0,,0.0,0.0,,,,,0.0,,,0.0,0.0,0.0
O=C1c2sc3nc4c(c(=O)n3c2C(=O)N1c1ccccc1)CCC4,CID660167,,,,0.0,,,0.0,,0.0,,,,,,,0.0,0.0
Cc1ccccc1N1C(=O)c2sc3nc4c(c(=O)n3c2C1=O)CCC4,CID1185647,,,,,,0.0,,0.0,0.0,,,,,,,0.0,
CC(C)Cc1[nH]c(=O)c(C#N)c2c1CCCC2,CID660169,,,0.0,,,,,0.0,,,,,,,,,
CCCc1[nH]c(=O)c(C#N)c2c1CCCC2,CID4365944,,,,,,,,,,0.0,,,,0.0,,,
O=C(CSc1nc2ccccc2[nH]1)NCC1CCCO1,CID5145128,,,,,,,,,,,,,,0.0,,,
N#CCCn1c(SCC(=O)NCC2CCCO2)nc2ccccc21,CID3000169,,0.0,,,,,,0.0,0.0,0.0,,0.0,,,,,
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccccc2Cl)cc1,CID1358057,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1Cl,CID1358645,,,,,,0.0,,,,,,,,,,,
COCCn1c(C)cc(C(=O)CSc2cc(C)c3ccccc3n2)c1C,CID2200149,,,,,,,,,,,,,,0.0,,,
Cc1cc(SCC(=O)c2cc(C)n(C)c2C)nc2ccccc12,CID2081336,,,,,,,,,,,,,,0.0,,,
CCCCN1C(=S)SC(C)(C)C1/[N+]([O-])=C/c1cccnc1,CID5913771,,,,,,,,,,,,0.0,,,,,
CN1C(=S)SC(C)(C)C1/[N+]([O-])=C/c1cccnc1,CID5389055,,,,,,,,,,,,,0.0,,,,
Cc1ccc2[nH]c3c(c2c1)CN(C(=O)CN(C)CC1OCCO1)CC3,CID934909,,,,,,,,,,,,,,,0.0,,
CN(CC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1)CC1OCCO1,CID946226,,,,,,,,,,,,,,0.0,,,
CN(C(=O)C1CCCO1)c1nnc(-c2cnccn2)s1,CID650158,,0.0,,,,,,,,,,0.0,,,,,
Cc1cnc(-c2nnc(N(C)C(=O)C3CCCO3)s2)cn1,CID654865,,0.0,,0.0,0.0,,,,,0.0,,,,,,,
CCSC1=C(C#N)C(=O)n2c1cc1c2CCCC1,CID650150,,,,,,,0.0,,,,,,0.0,,0.0,,
CCOC(=O)C1=C(SCC)c2cc3c(n2C1=O)CCCC3,CID774561,,,,,,,,,0.0,,,,,,,,
CCOc1ccc(NC(=S)NC(=O)c2cccs2)c([N+](=O)[O-])c1,CID2864824,,,,,,0.0,,,,,,,,,,,
Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1cccs1,CID891846,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1c(NC(=O)c2cccs2)sc2c1CCN(C(=O)OCC)C2,CID1037128,,,,,0.0,,0.0,,,0.0,,,,,,0.0,
CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(Cl)s3)c2C(N)=O)C1,CID4610571,,,0.0,,,,,,,,,,,,,,
CCOc1ccccc1-n1nnnc1SCC(=O)NC(=O)NCc1ccco1,CID2613931,,0.0,,,,,0.0,,,,0.0,,,,0.0,0.0,
COc1ccc(C)cc1-n1nnnc1SCC(=O)NC(=O)NCc1ccco1,CID2608862,,,,0.0,,,,0.0,,,0.0,,,,,0.0,
CC1(C)Cc2c(C#N)c(OCC(=O)c3ccccc3)nc(-c3ccoc3)c2CO1,CID658700,0.0,,,,0.0,,,,0.0,0.0,,,,,,,
CC1(C)Cc2c(C#N)c(OCC(=O)c3ccc(Cl)cc3)nc(-c3ccoc3)c2CO1,CID659291,,,,,,,,,,,,0.0,,,,,0.0
O=C1c2ccccc2C(=O)N1Cc1nc2ccccc2o1,CID644476,,,,,,,,,,,0.0,,0.0,0.0,0.0,,
CC(c1nc2ccccc2o1)N1C(=O)c2ccccc2C1=O,CID3124457,,,,,,,,,,0.0,,,,,,,
CCOc1ccc(-n2c(SCC(=O)Nc3ccc4c(c3)OCCO4)nc3c(c2=O)SCC3)cc1,CID2155329,,,0.0,,,,0.0,,,,,,,,,0.0,
O=C(CSc1nc2c(c(=O)n1-c1ccc(Cl)cc1)SCC2)Nc1ccc2c(c1)OCCO2,CID2058813,,,,,,,,,0.0,0.0,,,,,,,
CCCCCn1c(=O)[nH]c2cc(C(=O)NCCCN3CCC(C)CC3)ccc2c1=O,CID3235670,,,,,,,,,0.0,,,,,,,0.0,0.0
CCCCCn1c(=O)[nH]c2cc(C(=O)NCCCN3CCCCC3)ccc2c1=O,CID3237670,,,,,,,,,0.0,,0.0,,0.0,,,,0.0
c1ccc(CCNc2nc(-c3cccnc3)cs2)cc1,CID972709,,,,,,,,,,,,,,,0.0,,
COc1ccc(CCNc2nc(-c3cccnc3)cs2)cc1OC,CID704595,,,,,,0.0,,,,,,,,0.0,,,
COc1ccc(-c2nnnn2C)cc1S(=O)(=O)NCc1ccccc1,CID1547171,,0.0,,0.0,,,,0.0,,,0.0,,,0.0,0.0,,
CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)NCc2ccccc2)c1,CID658808,,,,,,,,,0.0,,0.0,,0.0,,,0.0,
CC(=O)c1ccc(OC(=O)CCc2nc3ccccc3s2)cc1,CID2400086,,,,,,,,,,,,,,0.0,0.0,,
COc1ccccc1OC(=O)CCc1nc2ccccc2s1,CID2403513,,,,,,,,,,,,,,0.0,,,
CCN1C(SCC(=O)Nc2ccccc2C)=NN/C1=C1/C=CC=CC1=O,CID5741065,,0.0,0.0,,,,,0.0,,,,,,,,,
CCN1C(SCC(=O)Nc2cc(F)ccc2C)=NN/C1=C1/C=CC=CC1=O,CID5741809,,,,,,,0.0,0.0,,,,0.0,0.0,,,,
Cc1ccc(Nc2nc(CSc3nnnn3C)cs2)cc1,CID2997993,0.0,,0.0,0.0,,,,,,,,,,,0.0,,
Cn1nnnc1SCc1csc(Nc2ccccc2)n1,CID2345699,,,,0.0,,,,,,,,,,,,,
c1ccc2[nH]c(CN3CCN(c4ncnc5c4oc4ccccc45)CC3)nc2c1,CID663455,,0.0,,,,,,0.0,,0.0,,,,,,,
Cc1nc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)c2oc3ccccc3c2n1,CID664972,,0.0,,,,,,,,,,,,,,,0.0
CCC(C)(C)n1nnnc1C(c1ccc(N(C)C)cc1)N1CCN(C2CCCCC2)CC1,CID646036,,,,,,,,,,,,,0.0,,,,
COc1cccc(C(c2nnnn2C(C)(C)C)N2CCN(C3CCCCC3)CC2)c1OC,CID645920,,,,,,,,,,0.0,,,,,,,
Cn1c(=O)oc2cc(S(=O)(=O)N3CCCc4ccccc43)ccc21,CID5307120,,,,,,,0.0,,,,,,,,,,
CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3CCCc4ccccc43)ccc21,CID5309977,,0.0,,0.0,,,,,,,,,,,,,
N#C/C(=C\c1cccc([N+](=O)[O-])c1)c1ccccn1,CID6011838,,,,,,,,,,,,,,0.0,,,
N#C/C(=C\c1ccccc1)c1ccccn1,CID6065026,,,,,,,,,,,,,,,0.0,,
CC1CCCC(NC(=O)c2ccc3c(=O)n(CC4CCCO4)c(=O)[nH]c3c2)C1C,CID3236914,,,0.0,,,,,,,,,,,,,,
O=C(NC1CCCCC1)c1ccc2c(=O)n(CC3CCCO3)c(=O)[nH]c2c1,CID3243224,,,,0.0,,,,0.0,0.0,,,,0.0,,,,0.0
CC(C)(C)OC(=O)COc1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1,CID2891568,,,,,,0.0,,,,,,,,,,,
C=C(C)COc1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1,CID703293,,,,,,0.0,,,,,,,,,,,
COc1ccc(/N=C/c2sc3ccccc3c2Cl)cc1,CID828277,,,,,,,,,,,,,,0.0,,,
Oc1ccccc1/N=C/c1sc2ccccc2c1Cl,CID929542,,,,,,,,,,,,,,0.0,,,
COc1ccc(N2C(=O)CSCC2=O)cc1OC,CID2815225,,,,,,,,,,,,,,0.0,,,
O=C1CSCC(=O)N1c1ccccc1,CID715556,,,,,,,,,,0.0,,,,,,,
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(Cc3ccccc3)CC1)n2CCCc1ccccc1,CID650960,,,,,,,,,,,,,,0.0,,,
Cn1c(=O)c2c(nc(N3CCN(Cc4ccccc4)CC3)n2CCCc2ccccc2)n(C)c1=O,CID659477,0.0,,,,,,,,,0.0,,,0.0,,,,
CCn1c(=O)c([N+](=O)[O-])c(NCCc2ccccc2)c2ccccc21,CID2919056,,,,,,,,,,,,0.0,,,,,
Cn1c(=O)c([N+](=O)[O-])c(NCCc2ccccc2)c2ccccc21,CID2877555,,,,,,,,,,,,,,0.0,,,
N#Cc1nc(-c2ccc(OCc3ccc(Cl)cc3)cc2)oc1N1CCC(C(N)=O)CC1,CID664100,0.0,,,,,,,,,,,,,,,,0.0
N#Cc1nc(-c2ccc(OCc3ccccc3)cc2)oc1N1CCC(C(N)=O)CC1,CID664145,0.0,,,,,0.0,0.0,,,,,0.0,0.0,,,,0.0
CC1CN(S(=O)(=O)c2cccc(-c3cn4cccnc4n3)c2)CC(C)O1,CID664106,,0.0,,0.0,,0.0,,,,,,,0.0,,,0.0,
O=S(=O)(c1cccc(-c2cn3cccnc3n2)c1)N1CCOCC1,CID663438,,0.0,,0.0,,,,,,,,,0.0,,,0.0,0.0
CC1(C)Cc2c(c(N3CCCC3)nc3sc4c(N5CCN(CCO)CC5)ncnc4c23)CO1,CID664105,,,,,,,,,,,0.0,,,,,,
CN1CCN(c2ncnc3c2sc2nc(N4CCCC4)c4c(c23)CC(C)(C)OC4)CC1,CID663186,,,0.0,,0.0,,,,,,,,0.0,,,,
O=C(Nc1ccc(Cl)cc1)O/N=C(/c1ccccc1)c1ccccn1,CID1350243,,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccccc1)O/N=C(/c1ccccc1)c1ccccn1,CID271561,,,,,,0.0,,,,,,,,,,,
Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)c1ccccc1,CID569192,0.0,0.0,,0.0,,,0.0,,0.0,,0.0,,0.0,,0.0,,
Cc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)c1ccccc1,CID1016479,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC(=O)C2CC(=O)NC(N3CCCCC3)=N2)cc1Cl,CID2953291,,0.0,,,,,0.0,,,,,,,,,0.0,0.0
O=C1CC(C(=O)Nc2ccccc2)N=C(N2CCCCC2)N1,CID2958086,,,,,,,0.0,,,,,,,,,,
COc1ccc(N2CCN(/C(=N\S(=O)(=O)c3ccccc3)Nc3nc(C)cc(C)n3)CC2)cc1,CID2953297,0.0,,,,,,,,,,0.0,,,,,0.0,
COc1ccc(N2CCN(/C(=N\S(=O)(=O)c3ccc(C)cc3)Nc3nc(C)cc(C)n3)CC2)cc1,CID5805137,,,,,,,,,,,,0.0,,0.0,,,
COC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)Nc1ccc(OC)cc1,CID1973227,,,,,,,,,,,,0.0,,0.0,,,
COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)Nc1ccccc1OC,CID660519,,0.0,0.0,0.0,,0.0,0.0,,0.0,,,,,,,0.0,0.0
CCOC(=O)CN(C(=O)CNC(=O)c1cccs1)C(C(=O)NC1CCCCC1)c1cccnc1,CID3211277,,,,,,,,,0.0,,,,,,,,
C=CCN(C(=O)CNC(=O)c1cccs1)C(C(=O)NC1CCCCC1)c1cccnc1,CID3211284,,,,,,,,,,,,,,0.0,,,
COc1ccc(NC(=O)CCCN2C(=O)C3C4C=CC(C4)C3C2=O)c(OC)c1,CID3245678,,0.0,,0.0,,,,,,,,0.0,,,,,
COc1ccc(OC)c(NC(=O)CCCN2C(=O)C3C4C=CC(C4)C3C2=O)c1,CID3243274,,,0.0,,,,,,,,,,,0.0,,,
O=C1CCCN1CN(C(=O)c1ccc2c(c1)OCO2)c1cccc(Cl)c1,CID3245677,,0.0,,,,0.0,,,,,,,,0.0,,0.0,
O=C1CCCN1CN(C(=O)c1ccc2c(c1)OCO2)c1ccc(F)cc1,CID3243299,,,0.0,,,,,,,,,,0.0,,,,
COc1ccc(Oc2c(Cl)cnn(-c3ccc(F)cc3)c2=O)cc1,CID1479655,,,,,,,,,,,,,,0.0,,,
COc1ccc(Oc2c(Cl)cnn(-c3ccccc3)c2=O)cc1,CID2800329,,,,,,0.0,,,,,,,,0.0,,,
COc1cccc(CN2C(=O)C3(C(C#N)=C(N)OC4=C3C(=O)CCC4)c3ccccc32)c1,CID2962015,0.0,,,,,,0.0,,0.0,,,0.0,0.0,,,,
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C21C(=O)N(Cc2ccccc2Cl)c2ccccc21,CID4208847,,,,,,,,,,,,,,,0.0,,
Fc1cccc(-c2cc3nc4c(c(NCc5ccco5)n3n2)CCCC4)c1,CID1441736,,,,,,0.0,,,,,,,,,,,
Clc1cccc(-c2cc3nc4c(c(NCc5ccco5)n3n2)CCCC4)c1,CID1441807,,,,,,0.0,,,,,,,,,,,
COc1ccccc1CN(C)C(=O)C1(c2ccc(Cl)cc2)CC1,CID2461366,,,,,,,,,,,,,,0.0,,,
COc1ccc(CNC(=O)C2(c3ccc(Cl)cc3)CC2)cc1,CID2093952,,,,,,,,,,,,,,,0.0,,
COc1ccc(OCc2cccc(C(=O)Nc3cc(C)on3)c2)cc1,CID843415,,,,,,,,,0.0,,0.0,0.0,,0.0,,,
Cc1cc(NC(=O)c2cccc(COc3ccc(Br)cc3)c2)no1,CID1224550,,,,,,,,,0.0,,,,,,0.0,,0.0
C=CCn1c(Cc2nc3ccccc3[nH]2)n[nH]c1=S,CID745642,,,,,,,,0.0,,0.0,,,,,,0.0,
C=CCn1c(Cc2nc3ccc(Cl)cc3[nH]2)n[nH]c1=S,CID666400,,0.0,0.0,,,,,,,,,,,,,,
NS(=O)(=O)c1ccc(Nc2ccc3nonc3c2[N+](=O)[O-])cc1,CID2836586,,,,,,,,,,,,,,,0.0,,
Cc1ccc(Nc2ccc3nonc3c2[N+](=O)[O-])cc1,CID2836626,,,,,,,,,,,,,,0.0,0.0,,
O=c1c2ccccc2nc(N2CCN(c3ccccc3)CC2)n1Cc1ccccc1,CID5307901,,0.0,0.0,,,,,0.0,,,,,,,,,
Cc1ccc(C)c(N2CCN(c3nc4ccccc4c(=O)n3Cc3ccccc3)CC2)c1,CID9550997,,,,,,,,,,0.0,,,,0.0,,,
CCC(=O)Nc1cccc(NC(=O)CSc2nnnn2C2CCCC2)c1,CID645548,,,,,0.0,0.0,,,,0.0,0.0,,,,,,
O=C(CSc1nnnn1C1CCCC1)Nc1ccc(F)cc1,CID1383751,,,,,,,,,,,0.0,,,,,,
O=C(NC1CCN(Cc2nnnn2CCc2ccccc2)CC1)c1ccccc1F,CID645546,,0.0,0.0,,,,,,,0.0,,,,,,,
Cc1ccccc1C(=O)NC1CCN(Cc2nnnn2CCc2ccccc2)CC1,CID646162,,,,,,,,,,0.0,,0.0,,,,,
CNc1oc(C)nc1S(=O)(=O)c1ccc(C)cc1,CID3240715,,,,,,0.0,,,,,,,,,,0.0,
CNc1oc(C)nc1S(=O)(=O)c1ccccc1,CID747413,,,,0.0,,,,0.0,,0.0,,,,,,,
CC1CCCCC1NC(=O)c1cc2c(s1)CS(=O)(=O)C2,CID3240713,,,0.0,,,,0.0,,,,,,0.0,,,,
CC1CCC(NC(=O)c2cc3c(s2)CS(=O)(=O)C3)CC1,CID3243680,,,,,,,,,,,,,,,,0.0,
O=C(Oc1ccc2cc(Br)ccc2c1)N1CCCCCC1,CID2929280,,,,,,,,,,,,,,0.0,,,
O=C(Oc1ccc2ccccc2c1Br)N1CCCCCC1,CID2928803,,,,,,,,,,,,0.0,,,,,
CCOc1ccc(C2=Nn3cnnc3SC2)cc1,CID621309,,,0.0,,,0.0,0.0,,,,0.0,,0.0,,,0.0,0.0
CCc1nnc2n1N=C(c1ccc(OC)cc1)CS2,CID850176,,,,,,,,,,0.0,,,,,0.0,,
CCOC(=O)c1nc(N)c(=O)n(-c2ccccc2)n1,CID621302,,,,,,,,0.0,0.0,,0.0,,,0.0,,,0.0
CCOC(=O)c1nc(N)c(=O)n(-c2ccc(C)cc2)n1,CID550278,,,,,,,,,,0.0,,,,,,,
Cc1nc2ccccc2c(=O)n1/N=C/c1ccccc1,CID948176,,,,,,0.0,,,,,,,,,,,
Cc1nc2ccccc2c(=O)n1/N=C/c1ccc(N(C)C)cc1,CID389547,,0.0,,,,,0.0,0.0,0.0,,,0.0,,,,,
CCOC(=O)C1=C(CN2CCC(C)CC2)NC(=O)NC1c1ccc(Cl)cc1,CID2972834,,,,,,,,,,,,,0.0,,,0.0,0.0
CCOC(=O)C1=C(CN2CCCCC2)NC(=O)NC1c1cc(C)ccc1C,CID2971630,,,,,,,,,0.0,,,,,,,,
CCCc1nc2c(=O)n(C)c(=O)[nH]c2n1CCC,CID824002,,,,,,,,,0.0,,,,,,,,
CCCCn1c(C)nc2c(=O)n(C)c(=O)[nH]c21,CID663553,,0.0,,0.0,,,,,0.0,,,,,,,,
COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1,CID1013010,,0.0,,,0.0,,,,,0.0,0.0,,,,0.0,,0.0
COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1,CID1015180,,,,0.0,0.0,,,,,0.0,0.0,,0.0,,,0.0,0.0
CCn1c(SCC(=O)N2CCCCC2C)nc2ccsc2c1=O,CID3677285,,,,,,0.0,,,,,,,,,,,
CCCCn1c(SCC(=O)N2CCC(C)CC2)nc2ccsc2c1=O,CID3644807,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1,CID2866818,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1,CID2254785,,,,,,0.0,,,,,,,,,,,
O=C(COc1ccccc1Cl)N1CCN(c2ncccn2)CC1,CID2707505,0.0,0.0,0.0,,,,0.0,,,,,,0.0,,,0.0,
O=C(COc1ccc(Cl)cc1)N1CCN(c2ncccn2)CC1,CID2103434,0.0,0.0,0.0,,,0.0,,,,,,,0.0,,,0.0,0.0
Cc1cc2ncn(C(=O)N3CCOCC3)c2cc1C,CID669751,,,,,,,0.0,0.0,,,,,0.0,,,,
Cc1nc2ccccc2n1C(=O)N1CCOCC1,CID738842,,,,,,,,,0.0,,,,,,0.0,,
CCCCC1CCC(C(=O)NC2CCS(=O)(=O)C2)CC1,CID2964618,,,,0.0,,,,,0.0,,,,0.0,,,,
CC1(NC(=O)C2CCCCC2)CCS(=O)(=O)C1,CID3601722,,,,,,,,,,,,,,0.0,,,
CN(C)c1cccc(C(=O)n2cc(C(=O)c3cc(F)ccc3O)cn2)c1,CID2999309,,0.0,,,,,,0.0,,,,,0.0,,,,
COc1ccc(C(=O)n2cc(C(=O)c3cc(C)ccc3O)cn2)cc1OC,CID2116208,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)NC(=O)C2CCCN32)cc1,CID2999307,,,,,0.0,,0.0,0.0,,,,0.0,0.0,,,,
Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)NC(=O)C2CCCN32)cc1C,CID2999744,,,,0.0,0.0,,,,,,,,,,,,
Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC(C(=O)Nc4ccccn4)C3)ccc21,CID9551535,,,,,,0.0,,,,,,,,,,,
Cc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C2)nc1,CID5308174,,,0.0,,,,,0.0,,,,,,,,,
COc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C2)c(OC)c1,CID9551537,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C2)cc1OC,CID9550108,,,,,,,,,0.0,,,0.0,,,,,
Cn1c(=O)c2c(nc(OCc3ccccc3)n2C)n(C)c1=O,CID223566,,,,,,,,,,0.0,,,0.0,,,,0.0
COc1cccc(COc2nc3c(c(=O)n(C)c(=O)n3C)n2C)c1,CID658198,,,0.0,0.0,,,,,0.0,,,,,,,,0.0
c1ccc(Cn2c(-c3ccco3)nc3nc4ccccc4nc32)cc1,CID662056,,,0.0,0.0,,,,0.0,,,,,,,,,0.0
COc1ccccc1Cn1c(-c2ccco2)nc2nc3ccccc3nc21,CID661814,,,0.0,,,,,0.0,,,,,,,,,
CCOC(=O)C1=C(c2cscn2)/C(=C2\C=C(CC)C(O)=CC2=O)NN1,CID5685352,,,,,,,,,,,0.0,,,,,,
CCCC1=C/C(=C2/NNC(C(=O)OCC)=C2c2cscn2)C(=O)C=C1O,CID5685345,,,,,,,,,,,0.0,,,,,,
Cc1onc(-c2ccccc2Cl)c1C(=O)OCn1nnc2ccccc2c1=O,CID1329847,0.0,0.0,,,,,,,0.0,,0.0,,,,,,
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCn1nnc2ccccc2c1=O,CID2910892,,,0.0,,,,,,,,,,,,,0.0,
COc1ccc(CCNC(=O)c2cnn3ccccc23)c(OC)c1OC,CID5309705,,,0.0,,,,0.0,,,,,,,,,,
COc1cc(CCNC(=O)c2cnn3ccccc23)cc(OC)c1OC,CID11957224,,,,,,0.0,,,,,,,,,,,
CCn1c(SCC(=O)Nc2cc(C)on2)nc2sc3c(c2c1=O)CCCC3,CID2529884,0.0,0.0,0.0,,0.0,,0.0,,0.0,0.0,0.0,,0.0,,,0.0,
Cc1cc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C)CCCC4)no1,CID2577595,0.0,0.0,,0.0,0.0,,0.0,,,0.0,0.0,,0.0,0.0,,0.0,0.0
C=CCn1c(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)nc2sc(C)c(C)c2c1=O,CID1039931,,,,,,,,,,,,0.0,,,,,
Cc1sc2nc(SCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)n(C)c(=O)c2c1C,CID2128154,,0.0,,0.0,0.0,,,,,,0.0,,0.0,,,,
CC(=O)/C(C#N)=C1/NN=C2CCCCCN21,CID5742463,,0.0,,,,,,,,,,,,,,,
CCC(=O)/C(C#N)=C1\NN=C2CCCCCN21,CID5771271,,,,,,,0.0,,,,,,,,,,
CN(C(=O)c1ccc(NC(=O)c2cnccn2)cc1)C1CCCCC1,CID654325,,0.0,,,,,,,,,0.0,,0.0,,,,
Cc1cnc(C(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)cn1,CID645046,,0.0,0.0,,,,,,,,0.0,,,,,,
Cc1cc(OCc2ccccc2)c2c3c(c(=O)oc2c1)CCC3,CID854487,,,,,,0.0,,,,,,,,,,,
Cc1cc(OCc2ccc(F)cc2)c2c3c(c(=O)oc2c1)CCC3,CID2888777,,,,,,0.0,,,,,,,,,,,
O=C1c2ccccc2C(=O)N1CCc1csc(-c2ccccc2)n1,CID1482048,,,,,,,,,,,,,,0.0,,,
Cc1ccc(-c2nc(CCN3C(=O)c4ccccc4C3=O)cs2)cc1,CID1473492,,,,,,0.0,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)C(C#N)c2nc3ccccc3nc2OC(C)C)cc1,CID2999934,,0.0,,,,,,,,,,,0.0,,,,0.0
CCCCOc1nc2ccccc2nc1C(C#N)S(=O)(=O)c1ccccc1,CID2998732,,0.0,0.0,,,,,0.0,,,,,,,,,0.0
CC/N=C1/SC(CC(=O)Nc2sc3c(c2C#N)CCCC3)C(=O)N1CC,CID644944,,,,,0.0,,0.0,,,0.0,,,,,,,
C/N=C1/SC(CC(=O)Nc2sc3c(c2C#N)CCCC3)C(=O)N1C,CID650400,,0.0,0.0,,0.0,,,,0.0,0.0,0.0,,,,,,
COc1ccc(N2CCN(C(=O)CSc3nnc4nc(C)cc(C)n34)CC2)cc1,CID644940,0.0,,,,0.0,,,0.0,,,0.0,,0.0,,,,
COc1ccc(N2CCN(C(=O)CSc3nnc4ncccn34)CC2)cc1,CID654496,,,,,0.0,0.0,,,,,0.0,,,,,,
COc1ccc(CSCCc2n[nH]c(=S)n2-c2ccccc2)cc1,CID2231120,,,,,,,,,,,,,,0.0,0.0,,
S=c1[nH]nc(CCSCc2ccccc2)n1-c1ccccc1,CID2243106,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)NC(C(=O)NCc2ccco2)C(C)C)cc1,CID2567212,,,,,,,,,,,,,,0.0,,,
CSCCC(NC(=O)c1ccccc1)C(=O)NCc1ccco1,CID2972497,,0.0,,,0.0,,,0.0,,,,,,,,0.0,
CCOc1cc2[nH]c(=S)n(CCCC(=O)NCc3ccco3)c(=O)c2cc1OCC,CID3241290,,,0.0,,0.0,,,,0.0,,,,,,,0.0,
O=C(CCCn1c(=S)[nH]c2ccccc2c1=O)NCc1ccco1,CID866375,,0.0,0.0,0.0,0.0,,0.0,0.0,,,0.0,,,0.0,,0.0,
Cc1n[nH]c(C)c1C(=O)CC1(O)C(=O)N(CCc2ccccc2)c2ccc(Cl)cc21,CID2984759,0.0,,0.0,,,,0.0,,,,,,0.0,,,0.0,0.0
Cc1n[nH]c(C)c1C(=O)CC1(O)C(=O)N(CCc2ccccc2)c2ccc(Br)cc21,CID2969022,,,,,,,,,0.0,,0.0,,,,,,
COc1ccc2sc(N3C(=O)CC(Cc4cccc(C)c4)C3=O)nc2c1,CID2975740,,,,,,0.0,,,,,,,,,,,
COc1ccc2nc(N3C(=O)CC(Cc4ccc(C)cc4)C3=O)sc2c1,CID2929714,,,,,,,,,,,,,,0.0,,,
CC1Cc2ccccc2N1C(=O)COC(=O)C1=COCCO1,CID2999025,,0.0,,,,,,,,,,,,,,0.0,
O=C(OCC(=O)N1CCc2ccccc21)C1=COCCO1,CID2570844,,,,,,,0.0,0.0,,,,,,,,,
CC1CN(C(=O)c2ccc(C(=O)c3ccccc3)cc2)CC(C)O1,CID2999020,,,,,,,,,,0.0,,,,,,,
O=C(c1ccccc1)c1ccc(C(=O)N2CCOCC2)cc1,CID2230131,,,0.0,,,,,0.0,,,,,,0.0,,,
CCOC(=O)c1sc2nc(CSc3nc4ccccc4n3CC)[nH]c(=O)c2c1C,CID2999022,0.0,,,,0.0,,,,,0.0,0.0,,,,,0.0,0.0
COC(=O)c1sc2nc(CSc3nc4ccc(C)cc4[nH]3)[nH]c(=O)c2c1C,CID2085755,,,,,,0.0,,,0.0,0.0,0.0,,,,,,
Cc1sc2nc(SCC(=O)c3cc(C)n(CC4CCCO4)c3C)n(C(C)C)c(=O)c2c1C,CID2999023,,,0.0,,,,,,,,0.0,,,,,,
C=CCn1c(SCC(=O)c2cc(C)n(CC3CCCO3)c2C)nc2sc(C)c(C)c2c1=O,CID2999925,,,,0.0,,,,,,,,,,,,,
CC1(C)C(c2ccccc2)=[N+]([O-])C2(CCCCC2=O)N1O,CID3151809,,,,,,,,,,0.0,,,,,,,
Cc1ccc(C2=[N+]([O-])C3(CCCCC3=O)N(O)C2(C)C)cc1,CID2872147,,,,,,,,,,0.0,,,,,,,
COc1ccccc1OCC(=O)NCc1cccs1,CID2562431,,,,,0.0,,,,,0.0,,,,0.0,,,
O=C(COc1ccccc1)NCc1cccs1,CID5206687,,,,,,0.0,,,,,,,,,,,
COc1ccc2c(c1)CC/C2=N\OC(=O)c1ccccc1OC,CID880882,,,,,,,,,,,,,,0.0,,,
COc1ccc2c(c1)CC/C2=N\OC(=O)c1ccccc1C,CID754851,,,,,,,,,,,,,,0.0,,,
CCSc1nnc(NC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)s1,CID1023213,,,,,,0.0,,,,,,,,,,,
CC(C)(C)c1nnc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)s1,CID2914673,,,,,,,,,,,,,,0.0,,,
Nc1c(NCc2ccccc2)c(=O)[nH]c(=O)n1Cc1ccccc1,CID2344558,,,,,,,,,0.0,,,0.0,,,,,
Nc1c(NCc2ccccc2F)c(=O)[nH]c(=O)n1Cc1ccccc1,CID2116196,,,,,,,0.0,,,,,,,,,0.0,
COc1ccc(S(=O)(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)cc1,CID1260737,,,,,0.0,0.0,,0.0,,,,,,,,,
COc1ccc(S(=O)(=O)N2CCC(N3CCCCC3)CC2)cc1,CID660285,0.0,0.0,,,0.0,,,,,,,,,,,,
COc1cccc(/C=C/C(=O)c2c(O)oc(C)cc2=O)c1O,CID5717503,,,,,,,,,,0.0,0.0,,,,,,
COc1cc(/C=C/C(=O)c2c(O)oc(C)cc2=O)cc(OC)c1O,CID5717501,,,,,,,,,0.0,,,,,,,,
COc1ccc(C(OC(=O)c2c(C)noc2C)C(=O)NC2CCCC2)cc1,CID653980,0.0,,0.0,,0.0,,0.0,,0.0,,,0.0,,,,,
Cc1noc(C)c1C(=O)OC(C(=O)NC1CCCC1)c1ccc(F)cc1,CID646849,,,,,,0.0,,0.0,,,,0.0,0.0,,,,
COc1cccc(N2C(=O)CC(N3CCC(C(N)=O)(N4CCCCC4)CC3)C2=O)c1,CID2937059,,,0.0,,,,,,,,,,,,,0.0,
CCOc1cccc(N2C(=O)CC(N3CCC(C(N)=O)(N4CCCCC4)CC3)C2=O)c1,CID2884054,,,0.0,,,,,0.0,,,,,,,,0.0,
CCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nc2c(c1=O)SC(C)C2,CID4614250,0.0,,,,,,,,,,,,,,,,0.0
COCCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nc2c(c1=O)SC(C)C2,CID4624597,,,,,0.0,,,,,,,,,,,0.0,
CC1CCCCC1NC(=O)CO/N=C/c1ccccc1OC(F)F,CID5171892,,,,,,,,,,,,,,0.0,,,
CC1CCCCC1NC(=O)CO/N=C/c1ccc(OC(F)F)cc1,CID4337556,,,,,,,,,,,,,,,0.0,,
COc1cc(C2Nc3ccc4ncccc4c3C3=C2C(=O)CCC3)ccc1O,CID655584,0.0,,0.0,,,,,,0.0,,0.0,,,,,,
COc1cc(C2Nc3ccc4ncccc4c3C3=C2C(=O)CCC3)cc(OC)c1O,CID2946740,,,,,,,0.0,0.0,,,,1.0,,,,,0.0
COc1cc(C)c(C(C)C)cc1S(=O)(=O)NCCCn1ccnc1,CID655583,0.0,0.0,,0.0,,0.0,0.0,0.0,0.0,,,,,,0.0,0.0,
Cc1cc(C)c(S(=O)(=O)NCCCn2ccnc2)c(C)c1,CID2843210,,,,,,,,,,,,,,0.0,,,
COc1ccc(Nc2nc(C(=O)NCCCN3CCOCC3)cs2)cc1,CID655581,,,0.0,,,,,,,,0.0,,,,,,
Cc1ccc(Nc2nc(C(=O)NCCCN3CCOCC3)cs2)cc1,CID652335,,0.0,,0.0,,0.0,,,,0.0,0.0,,0.0,,,0.0,
CC1(C)CC(=O)c2sc(N3CCCCC3)nc2C1,CID622000,,,,,,0.0,0.0,,,,,,,,0.0,,
O=C1CCCc2nc(N3CCCCC3)sc21,CID616821,,0.0,,0.0,,,,,,,,0.0,0.0,,,,0.0
COc1ccccc1CCNC(=O)c1cnccn1,CID1246077,,,,,,,,,0.0,,,0.0,,,,,
COc1ccc(CCNC(=O)c2cnccn2)cc1,CID868282,,0.0,,,,,,0.0,0.0,,,,,,,,
Cc1csc(NC(=O)CN(C)S(=O)(=O)c2cccc3cccnc23)n1,CID5308399,0.0,0.0,0.0,,,0.0,,,,,,,,,,,
CCOC(=O)Cc1csc(NC(=O)CN(C)S(=O)(=O)c2cccc3cccnc23)n1,CID5308880,,0.0,,,,,,,0.0,,,,,,,,
CCOC(=O)Cc1csc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(OC)cc2)n1,CID652678,,0.0,0.0,,,,,,,,,,,0.0,,,0.0
CCOC(=O)Cc1csc(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2Cl)n1,CID649751,,,,0.0,,,,,,,,,,,,,
Cc1ccc2c(NC(=O)C3CC3)cccc2n1,CID652673,,,,0.0,,,0.0,,,0.0,,,0.0,,,,
Cc1ccc2c(NC(=O)C3CC3)c(C)ccc2n1,CID652541,,,,,0.0,0.0,,,,0.0,,,,,,,
O=C(c1cccs1)N1CCc2ccccc2C1,CID380532,,,,,,,,,,,,,,,0.0,,
COc1cc2c(cc1OC)CN(C(=O)c1cccs1)CC2,CID666794,,0.0,,,,0.0,,0.0,,,,0.0,0.0,0.0,,,
N#C/C(=C\c1cn(CCOc2ccccc2)c2ccccc12)C(=O)NCc1ccco1,CID5765807,,,,,,0.0,,,,,,,,,,,
Cc1ccccc1OCCn1cc(/C=C(\C#N)C(=O)NCc2ccco2)c2ccccc21,CID1132164,,,,,,,,,,,,,,,0.0,,
CCc1nnc(NC(=O)CSc2nnc(COc3cccc(C)c3)o2)s1,CID654637,0.0,0.0,,0.0,0.0,0.0,0.0,,0.0,,,,0.0,,,,
CCc1nnc(NC(=O)CSc2nnc(COc3ccccc3C)o2)s1,CID656178,0.0,0.0,0.0,0.0,0.0,,0.0,,0.0,,,,,,,0.0,
Fc1ccccc1Cn1nnc2c(NCCc3ccccn3)ncnc21,CID654634,,,,0.0,0.0,,,,,,,,,,,,
CCc1nc(NCCc2ccccn2)c2nnn(Cc3ccccc3F)c2n1,CID649493,,0.0,0.0,,,,,,,,,,0.0,,,,
COC(=O)c1ccc(CSc2nnnn2Cc2ccccc2)cc1,CID847932,,0.0,0.0,,,,0.0,,,,0.0,0.0,,0.0,,,0.0
COc1ccc(CSc2nnnn2Cc2ccccc2)cc1OC,CID2294624,0.0,,,,0.0,,,,,,0.0,,,0.0,,,
CCN1C(=O)/C(=C2/C=Cc3ccccc3N2CC)SC1=S,CID1714948,,,,,,,,,,,,,,0.0,,,
C=CCN1C(=O)/C(=C2/C=Cc3cc(C)ccc3N2CC)SC1=S,CID2192572,,,,,,0.0,,,,,,,,,,,
COc1ccc(S(=O)(=O)N2CCn3c2nc2ccccc23)cc1,CID975566,,0.0,,,,,0.0,0.0,,,,,0.0,,,,0.0
O=S(=O)(c1ccc(Cl)cc1)N1CCn2c1nc1ccccc12,CID976018,,,,,,0.0,,,,0.0,,,,,,,
CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3CCN(c4ccccn4)CC3)ccc21,CID5308977,,,,,,,,0.0,,,,,,,,,
Cn1c(=O)oc2cc(S(=O)(=O)N3CCN(c4ccccn4)CC3)ccc21,CID4971246,,0.0,,,,,,,,,,,,,,,
CN(C1=NC(=O)/C(=C\C=C\c2ccccc2)S1)c1ccc(O)cc1,CID1561919,,,,,,0.0,,,,,,,,,,,
CN(C1=NC(=O)/C(=C\C(Cl)=C\c2ccc([N+](=O)[O-])cc2)S1)c1ccc(O)cc1,CID5348557,,,,,,0.0,,,,,,,,,,,
Cc1nc(SCC(=O)NCCc2ccccc2)n[nH]1,CID649287,,,,0.0,,,,,,0.0,0.0,,0.0,,,0.0,
CCc1nc(SCC(=O)NCCc2ccccc2)n[nH]1,CID698695,,0.0,,0.0,,,,0.0,,0.0,,,,,,0.0,0.0
O=C(c1cccs1)N1CCN(c2ncccn2)CC1,CID727062,,,,,,0.0,,,,0.0,,,,,,,
O=C(c1ccc(Br)s1)N1CCN(c2ncccn2)CC1,CID1246348,,,,,,,,,0.0,,0.0,,,,,0.0,0.0
Cc1ccc(CNC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1,CID2265248,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)CCC(=O)NCc2ccc(Cl)cc2)cc1,CID2101588,,,,,,,,,,,,,,0.0,,,
CCOc1cc(C(=S)N2CCOCC2)ccc1OC(=O)Cc1ccccc1,CID1041882,,,,,,0.0,,,,,,,,,,,
COc1cc(C(=S)N2CCOCC2)cc(OC)c1OC(=O)Cc1ccccc1,CID1250941,,,,,,,,,,,,,,,0.0,,
CS(=O)(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)Cc1ccc(Cl)cc1,CID2223491,,0.0,,,0.0,,,,,,,,0.0,,,,0.0
CS(=O)(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)Cc1ccccc1,CID1093318,,,0.0,0.0,,,,0.0,0.0,0.0,,,0.0,,,0.0,
COc1ccc2nc(NC(=O)CSc3nc4cccnc4n3C)sc2c1,CID645553,0.0,,,0.0,0.0,,,,0.0,,,,0.0,,,,
CCOc1ccc2nc(NC(=O)CSc3nc4cccnc4n3C)sc2c1,CID652434,0.0,,,0.0,0.0,,,,0.0,,,,,,,0.0,
O=C1C2(c3ccccc3)CN(CCCO)CC1(c1ccccc1)CN(CCCO)C2,CID20557,0.0,,,,,,,,,,,0.0,,,,,
CC(C)(C)N1CC2(c3ccccc3)CN(C(C)(C)C)CC(c3ccccc3)(C1)C2=O,CID568024,,,,,,0.0,,,,,,,,,,,
COc1cccc(-c2csc3nnc(SCC(=O)c4ccc(NC(C)=O)cc4)n23)c1,CID651911,0.0,,,,0.0,,0.0,,0.0,,,,0.0,,0.0,,0.0
CC(=O)Nc1ccc(C(=O)CSc2nnc3scc(-c4ccccc4)n23)cc1,CID647741,0.0,0.0,0.0,0.0,0.0,,0.0,,0.0,0.0,,,,,0.0,0.0,0.0
CC(C)N(C=O)C1(C(=O)NC2CCCCC2)CCCCC1,CID651913,0.0,0.0,,0.0,0.0,,,0.0,,,,,0.0,0.0,,,
O=C(O)C1CCCCC1C(=O)NC1CCCCC1,CID2844955,,,0.0,,,,,0.0,,,,,,,,,0.0
Cc1nc2c(-c3ccccc3)c[nH]n2c(=O)c1Cc1ccccc1,CID879019,,,,,,,,,,,,,,,0.0,,
COc1ccccc1-c1c(C)[nH]n2c(=O)c(Cc3ccccc3)c(C)nc12,CID1291628,,,,,,,,,,,,,,,0.0,,
N#C/C(C(N)=O)=C1/CCc2ccccc2N1,CID6113170,,,,,,,,,,,,1.0,,,,,
CN(C)/C=N/C(=O)/C(C#N)=C1\CCc2ccccc2N1,CID5310919,,,,,,0.0,,,,,,1.0,,,,,
O=C(Nc1ccc(-n2nncc2-c2ccco2)cc1)c1cccc(F)c1,CID3242291,,,,,,,,,,0.0,0.0,,,,,,
O=C(Nc1ccc(-n2nncc2-c2ccco2)cc1)c1ccc(F)cc1,CID3245747,,,,,,,0.0,0.0,,,,,,,0.0,,
CC(=O)c1c(C)[nH]c(C(=O)N2CCc3ccccc32)c1C,CID866995,,0.0,,,0.0,,,,,0.0,,0.0,,,,,0.0
CC(=O)c1c(C)[nH]c(C(=O)N2c3ccccc3CC2C)c1C,CID5307798,,,0.0,,,0.0,,0.0,,,,,,,,,
COc1ccc(-c2nc3c4ccccc4nc(=O)n3[nH]2)cc1,CID2384299,,,,,,,,,,,,,,0.0,,,
COc1cc2nc(=O)n3[nH]c(-c4ccccc4)nc3c2cc1OC,CID2137045,,0.0,,,,,0.0,,,,,,0.0,0.0,,,
COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1cccnc1,CID1305251,0.0,0.0,,,0.0,,0.0,,0.0,0.0,,,,,,,0.0
CCc1ccc2oc(-c3cccc(NC(=O)c4cccnc4)c3)nc2c1,CID645036,,0.0,0.0,,,,,,0.0,0.0,,,0.0,,,,
CC(C)COC(=O)n1ccc(C(=O)N2CCCCC2)n1,CID3243745,,,,,,0.0,,,,,,,,,,,0.0
CNC(=O)n1ccc(C(=O)N2CCCCC2)n1,CID874546,,,0.0,0.0,,,,,0.0,,0.0,0.0,,,0.0,,
COc1ccc(CCNC(=O)CSc2nnc(CNC(=O)c3cccs3)o2)cc1OC,CID3242430,,,,,0.0,,,,0.0,,,,,,,0.0,0.0
O=C(CSc1nnc(CNC(=O)c2cccs2)o1)NCCc1ccccc1,CID3241573,,,,,0.0,,,,0.0,,0.0,,,,,0.0,0.0
Cc1cc(C(=O)Cn2nc(C(=O)O)c3ccccc3c2=O)c(C)n1-c1ccccc1,CID4274216,,,,,,,,,,,,,,,0.0,,
Cc1cc(C(=O)Cn2nc(C(=O)O)c3ccccc3c2=O)c(C)n1-c1ccc(OC(F)F)cc1,CID2463084,,,,,,,,,,,,,,,0.0,,
COc1ccc(S(=O)(=O)N/C(N)=N/CCc2ccccc2OC)cc1,CID7197550,,,,,,,,,,,,,,,0.0,,
N/C(=N\CCc1ccccc1)NS(=O)(=O)c1ccc(F)cc1,CID7197384,,,,,,,,,,,,,,0.0,,,
CC1=NN(c2ccccc2)C(=O)/C1=C/Nn1c(C)nc2ccccc2c1=O,CID5508279,,,,,,0.0,,,,,,,,,,,
CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/Nn1c(C)nc2ccccc2c1=O,CID5389211,,,,,,,,0.0,,,,,,,,,
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1CCCCC1,CID2598294,,,,,,,,,,,,,0.0,,,0.0,
O=C(NC1CCCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1,CID1119029,,,,,,,,,,,,,0.0,,,0.0,
Cn1c(=O)oc2cc(S(=O)(=O)NCc3ccccn3)ccc21,CID1946056,,,,0.0,,,,0.0,0.0,0.0,,,,,,0.0,
CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)NCc3ccccn3)ccc21,CID5307586,,,,,,,,,,,,,,,,0.0,
O=C(CCN1C(=O)S/C(=C\c2ccccc2)C1=O)Nc1ccccc1,CID1554461,,,,,,0.0,,,,,,,,,,,
COc1ccc(/C=C2/SC(=O)N(CCC(=O)Nc3ccc(C)cc3)C2=O)cc1OC,CID1554470,,,,,,,,,,,,,,,0.0,,
Cc1nc2ccc(S(=O)(=O)N(C)CC(=O)NCc3ccc4c(c3)OCO4)cc2s1,CID3235900,,,0.0,0.0,0.0,0.0,,,,,,,0.0,,,,
Cc1nc2ccc(S(=O)(=O)NCC(=O)NCc3ccc4c(c3)OCO4)cc2s1,CID3245421,,,,0.0,0.0,0.0,,,,,,,,,,,
COc1ccc(C2=NOC(C(=O)N3CCCc4ccccc43)C2)cc1,CID3235909,0.0,,,,,,0.0,,0.0,,,,,,0.0,,
COc1cc(C2=NOC(C(=O)N3CCCc4ccccc43)C2)cc(OC)c1OC,CID3239998,,,,,0.0,,,0.0,0.0,0.0,,,,,,,
CCC(C)NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1,CID3235908,,0.0,,,,,,,0.0,,,,,,,0.0,0.0
O=C(O)C1CCN(S(=O)(=O)c2cccnc2)CC1,CID3243078,,,,,,,,0.0,,,0.0,,0.0,,,,
O=C(OCc1nnc(-c2ccccc2)o1)c1ccco1,CID2081182,,,,,,,0.0,,,,,,0.0,,,,
Cc1ccc(C(=O)OCc2nnc(-c3ccccc3)o2)o1,CID2099054,0.0,,,0.0,,,0.0,,,,,,0.0,,,,
O=C(Nc1ccc(N2CCOCC2)cc1)C1CCCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1,CID645261,,,,,0.0,,,,,,,,,,,,0.0
O=C(Nc1ccc(N2CCOCC2)cc1)C1CCCN(S(=O)(=O)c2ccccc2)C1,CID650439,,,,,,,,0.0,0.0,,,,0.0,,,,0.0
C/C(=N\OCC(=O)N/N=C/c1ccccc1)c1cccs1,CID2849785,,,,,,0.0,,,,,,,,,,,
COc1cccc(/C=N/NC(=O)CO/N=C(\C)c2cccs2)c1OC,CID3492321,,,,,,,,,,0.0,,,,,,,
CC1CCOC2(O1)C(=O)N(CN1CCN(c3ccccc3F)CC1)c1ccccc12,CID3238567,,0.0,,,0.0,,,,,,,,0.0,,,,
O=C1N(CN2CCN(c3cccc(Cl)c3)CC2)c2ccccc2C12OCCCO2,CID3239182,0.0,,,,,,,,,,,,,,,,0.0
N#CC1(c2ccccc2)CCCN1C(=O)c1ccco1,CID3144933,0.0,,,,,,0.0,,0.0,,,,0.0,,,,
N#CC1(c2ccccc2)CCCN1C(=O)c1ccc(Br)o1,CID654178,0.0,,,,,,,,0.0,,,0.0,,,,0.0,0.0
COc1ccc(/C=C2\SC(=N)N(c3ccc(F)cc3)C2=O)cc1OC,CID16188481,,,,,,,,,,,,,,0.0,,,
COc1ccc(/C=C2\SC(=N)N(c3ccc(F)cc3)C2=O)cc1,CID1361026,,,,,,,,,,,,,,0.0,,,
O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccc2c(c1)OCO2,CID2212108,,,,,,,,,,0.0,,,,,,,
Cc1ccc2oc(-c3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3)nc2c1,CID1294813,0.0,,0.0,,,,,,,,,,0.0,0.0,,,
O=c1[nH]n(-c2ccccc2)c(=O)c2ccccc12,CID225738,,,,0.0,,,0.0,0.0,,0.0,,,0.0,,,0.0,
O=c1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c2ccccc12,CID683963,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(Cc2noc3c2C(=O)CC(C)(C)C3)cc1OCC,CID1504385,,,,,,,,,,,,,,,0.0,,
CC1(C)CC(=O)c2c(Cc3ccccc3)noc2C1,CID806209,,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2csc3nc(C)n(-n4cccc4)c(=O)c23)cc1,CID853256,0.0,,,0.0,0.0,,0.0,0.0,,,0.0,0.0,,,,,
COc1ccc(-c2csc3nc(C)n(-n4cccc4)c(=O)c23)cc1OC,CID1186205,0.0,,,,0.0,,,,,,,0.0,,0.0,,,0.0
Cc1ccc(OCC(=O)Nn2cnc3ccccc32)cc1,CID2311408,,,,,,,,,0.0,,0.0,,,,,,
O=C(COc1ccccc1)Nn1cnc2ccccc21,CID2309345,,,0.0,,,,,0.0,0.0,0.0,,0.0,,,,,0.0
S=c1[nH]nc(-c2cc(-c3ccco3)[nH]n2)n1-c1ccccc1,CID712742,,,,,,0.0,,,,,0.0,,,,,,
O=C(O)c1ccc(-n2c(-c3cc(-c4ccco4)[nH]n3)n[nH]c2=S)cc1,CID1839198,,,,,,,,,,,0.0,,,,,,
c1ccc(-n2nnnc2-n2cnc3ccccc32)cc1,CID712744,,0.0,0.0,,,,0.0,,,,,0.0,,,,,
Cc1cc2ncn(-c3nnnn3-c3ccccc3)c2cc1C,CID2546768,,0.0,0.0,,0.0,,,,,,,0.0,,,,,
COC(=O)c1ccc(CSc2nnc3c(Cl)cc(Cl)cn23)o1,CID2522654,,,,0.0,,,,,0.0,,,,,,,,
COC(=O)c1ccc(CSc2nnc3ccccn23)o1,CID2622633,,,,,,,,0.0,,0.0,0.0,,0.0,,,0.0,0.0
Cc1ccoc1C(=O)NCCNc1ccc(Cl)cc1[N+](=O)[O-],CID2901653,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C(=O)NCCNc2ccc(Cl)cc2[N+](=O)[O-])o1,CID2864300,,,,,,0.0,,,,,,,,,,,
Cc1ccc(OCCNC(=O)C2CC(=O)N(c3ccc(C)cc3)C2)cc1,CID2901655,,,,,,0.0,,,0.0,0.0,,,,,,,
O=C(NCCOc1ccc(Cl)cc1)C1CC(=O)N(c2ccc(F)cc2)C1,CID580158,,0.0,,,,,,,,,,,0.0,,,,0.0
CCOc1ccc(NC(=O)C2CC(=O)NC(N3CCc4ccccc43)=N2)cc1,CID666546,0.0,,0.0,,,,,0.0,0.0,0.0,,,,,,,0.0
Cc1ccc(NC(=O)C2CC(=O)NC(N3CCc4ccccc43)=N2)cc1,CID665925,0.0,0.0,0.0,,,,0.0,,0.0,,0.0,,,,,0.0,0.0
COCCOC(=O)c1c(C)n(C)c2ccc(OC(=O)N3CCOCC3)cc12,CID666541,,,0.0,,,,,,,0.0,,,,,0.0,,
Cc1[nH]c2ccc(OC(=O)N3CCOCC3)cc2c1C(=O)OC(C)C,CID1836407,,,,,,,,,0.0,,,,,,0.0,,
Cc1ccc(NC(=O)c2ccc3c(c2)[nH]c(=O)n3C(C)C)cc1,CID3232145,,,,,,,,,,,,,,0.0,,,
COc1ccc(NC(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1,CID1091844,,,0.0,0.0,0.0,,,,0.0,,,,0.0,,,,
Cc1ccc(NC(=O)COc2nc(C)cs2)cc1,CID2531502,,,,0.0,0.0,,0.0,0.0,,0.0,0.0,0.0,0.0,,0.0,,0.0
Cc1csc(OCC(=O)Nc2ccc(C)c(C)c2)n1,CID2531565,,,,,,,,,,0.0,,0.0,,,,,
Cc1ccc(C)c(NC(=O)CCC(=O)OC(C(=O)c2ccccc2)c2ccccc2)c1,CID3681497,,,,,,0.0,,,,,,,,,,,
O=C(CCC(=O)OC(C(=O)c1ccccc1)c1ccccc1)Nc1ccccc1,CID3301428,,,,,,,,,,,,,,0.0,,,
Cc1ccc(OCC(=O)NNC(=O)c2cc(C)[nH]n2)cc1,CID2139645,,,,,,,,,,,,,,,0.0,,
CCc1ccc(OCC(=O)NNC(=O)c2cc(C)[nH]n2)cc1,CID833316,,,,,,,,,,,,,,,0.0,,
O=C(CN1CCCCC1)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1,CID566975,,,,,,,,,,,0.0,,,0.0,,,
O=C(CN1CCCCC1)Nc1nnc(-c2ccccc2)s1,CID818161,,0.0,,,,,0.0,,,,,,,,,,
COc1cc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2ccccc2)c([N+](=O)[O-])cc1OC,CID5336158,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1ccc(NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2)NC(=O)c2ccccc2)cc1,CID5344397,,,,,,0.0,,,,,,,,,,,
CCCn1c(=O)c2ccccc2n2c(SCc3nnc(-c4ccccc4Br)o3)nnc12,CID2493201,,,,,,,,,,,,,,,,,0.0
C=CCn1c(=O)c2ccccc2n2c(SCc3nnc(-c4ccccc4Br)o3)nnc12,CID2482861,,,,,,,,,,,0.0,,,,,,
O=C(Nc1ccc2c(c1)OCO2)c1cnn2cccnc12,CID1251504,,0.0,0.0,0.0,,,,0.0,0.0,,,,0.0,,,,
Cc1cc(C)n2ncc(C(=O)Nc3ccc4c(c3)OCO4)c2n1,CID1097826,,,,0.0,,,,,0.0,,,,,,,,
CCC(Sc1nccn1C)C(=O)Nc1nnc(C)s1,CID579610,0.0,,,,,,0.0,,,0.0,,,0.0,,,,
CSCCc1nc(SCC(=O)Nc2nnc(C)s2)[nH]c1C,CID2056478,,,,,0.0,,0.0,,0.0,,,0.0,0.0,,,,
Cn1c(SCC(=O)N2CCc3ccccc3C2)nnc1-c1cccs1,CID2202998,0.0,,,0.0,0.0,,0.0,,,0.0,0.0,,,0.0,0.0,,0.0
Nn1c(SCC(=O)N2CCc3ccccc3C2)nnc1-c1cccs1,CID2496965,,,,,,0.0,,,0.0,0.0,0.0,0.0,,,,,
O=C(Nc1nncs1)c1ccc(N2C(=O)C3C4C=CC(C4)C3C2=O)cc1,CID3244816,,,,0.0,,,,,,,,,,,,,
O=C(Nc1nnc(C(F)(F)F)s1)c1ccc(N2C(=O)C3C4C=CC(C4)C3C2=O)cc1,CID9551277,,,,,,,,,,0.0,,,,,,,
CCC(C)(C)NC(=O)C(c1cccs1)N(CC1CCCO1)C(=O)Cn1nnc2ccccc21,CID649914,0.0,,0.0,,,,,,,,,,0.0,,,0.0,
CC(C)CCNC(=O)C(c1cccs1)N(CC1CCCO1)C(=O)Cn1nnc2ccccc21,CID650883,0.0,,0.0,,,,,,,,,,0.0,,,0.0,0.0
Cc1ccc2c(c1)nnn2C1CCN(C(=O)NC23CC4CC(CC(C4)C2)C3)CC1,CID649917,0.0,0.0,0.0,,,,0.0,,,,0.0,,0.0,,,,0.0
O=C(NC12CC3CC(CC(C3)C1)C2)N1CCC(n2nnc3ccccc32)CC1,CID650812,0.0,0.0,0.0,,,,,0.0,,,,,,,0.0,,0.0
CC1=C(C(=O)Nc2ccccc2)C(c2ccccc2)N2C(=O)CSC2=N1,CID2879267,0.0,0.0,0.0,,0.0,,,0.0,,,0.0,,,,,,
COc1ccc(C2C(C(=O)Nc3ccccc3)=C(C)N=C3SCC(=O)N32)cc1,CID2878735,,,,,,,,,,0.0,0.0,,,,,,
O=C1NC2(CCCCC2)C(=O)N1CCS(=O)(=O)Oc1ccccc1,CID1949849,,,,,,,,,0.0,0.0,,,,,,,
O=C1NC2(CCCCC2)C(=O)N1CCS(=O)(=O)Oc1ccc(Br)cc1,CID2834538,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)c1C,CID2079232,,,,,,0.0,,,,,0.0,,,,,,
Cc1ccc(S(=O)(=O)N2CCN(Cc3nc4ccccc4n3C)CC2)cc1,CID3245046,0.0,0.0,,,0.0,,,,,,,,,,,,
O=C(Cc1n[nH]c(=O)[nH]c1=O)N/N=C/c1cccc(O)c1,CID687684,,,,,,,,,,0.0,,,,,,,
O=C(Cc1n[nH]c(=O)[nH]c1=O)N/N=C/c1ccccc1,CID687810,,,,,,,,,,,,,,,0.0,,
CCC(OC(=O)c1nsc(Cl)c1Cl)C(=O)NCc1ccco1,CID647680,,,,,,,,,,,,,0.0,,,,
CC(OC(=O)c1nsc(Cl)c1Cl)C(=O)NCc1ccco1,CID647786,,,,,,,0.0,,,,,,,,,,
O=C(C(=O)N1CCOCC1)c1cn(Cc2ccccc2Cl)c2ccccc12,CID2233828,,,,,,,,,,,,,,0.0,,,
O=C(C(=O)N1CCOCC1)c1cn(Cc2c(F)cccc2Cl)c2ccccc12,CID2974625,,,,,,,,,,,,,,,0.0,,
O=S(=O)(c1ccc(F)cc1)N1CN(Cc2ccco2)c2nc3ccccc3nc21,CID663828,,,,,,,,,,,,,0.0,,,,
COc1ccc(S(=O)(=O)N2CN(Cc3ccco3)c3nc4ccccc4nc32)cc1,CID663429,,,0.0,,0.0,,,0.0,,0.0,,,,,,,
Clc1ccc2nc(-c3ccccc3)c(CN3CCOCC3)n2c1,CID4637244,,,,,,0.0,,,,,,0.0,,,,,
Cc1ccn2c(CN3CCOCC3)c(-c3ccccc3)nc2c1,CID4356160,,,,,,,,,,,,,,,0.0,,
CC(C)N1CC23C=CC(O2)C(C(=O)OCc2ccccc2)C3C1=O,CID5389809,,,,,,,0.0,,,,,,,,,,
CCC(C)N1CC23C=CC(O2)C(C(=O)OCc2ccccc2)C3C1=O,CID649379,,,,,,,0.0,0.0,,0.0,,,,,,,0.0
CCn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1ccoc1C,CID3213582,,,,,,,,,,,0.0,,,,,,
COCCn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1ccoc1C,CID3213583,,,,,,,,,,,0.0,,,,,,
CCOC(=O)c1ccccc1N/C=C1\CCCC1=O,CID936901,,,,,,,,0.0,,0.0,,,,,,0.0,
Cc1cc(O)ccc1N/C=C1\CCCC1=O,CID931880,,,,,,,,,,,,,,0.0,,,
CCC(=O)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)ccc2[nH]c1=O,CID653861,,,,,,,0.0,,,,,,0.0,,,,0.0
COc1ccc2[nH]c(=O)c(CN(Cc3ccc4c(c3)OCO4)C(C)=O)cc2c1,CID652403,,,,,,,0.0,,,,,0.0,0.0,0.0,,0.0,
COc1ccc2oc(=O)c(C(=O)NCc3ccc4c(c3)OCO4)cc2c1,CID2913601,,,,,,,,,,,,,,,0.0,,
O=C(NCc1ccc2c(c1)OCO2)c1cc2ccccc2oc1=O,CID775794,,,,,,,,,,,,0.0,,,0.0,,
COc1ccc(NC(=O)CCCn2c(=O)[nH]c3ccccc3c2=O)cc1,CID3239615,0.0,0.0,0.0,0.0,,,,,0.0,,,,0.0,,,,
COc1cccc(NC(=O)CCCn2c(=O)[nH]c3ccccc3c2=O)c1,CID3235711,0.0,,0.0,,,0.0,,,0.0,,,,,,,,
CCCc1cc(C(=O)Nc2nccs2)cs1,CID1247663,,,,0.0,0.0,,,,,0.0,,,,,,,
CCOC(=O)Cc1csc(NC(=O)c2csc(C)c2)n1,CID1246639,,,,,,,0.0,,0.0,0.0,0.0,,0.0,0.0,,0.0,
O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)NCc1ccccc1,CID2335665,,,,,,0.0,,,,,,,,,,,
COc1ccc(CNC(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1,CID2364467,,,,,,,,,,1.0,,,,,,,
Cc1ccccc1N1C(=O)NC(=O)/C(=C/C=C/Nc2ccccc2)C1=O,CID6883154,,,,,,,,,,,,,,,0.0,,
COc1ccc(N2C(=O)NC(=O)/C(=C/C=C/Nc3ccccc3)C2=O)cc1,CID5903902,,,,,,,,,,,,,,,0.0,,
CN(C)C(=O)Cn1c(SCC(=O)N2CCCc3ccccc32)nc2ccccc21,CID649172,0.0,,,,,,,0.0,,,,,,,,,0.0
CC(C)NC(=O)Cn1c(SCC(=O)N2CCCc3ccccc32)nc2ccccc21,CID649529,0.0,,,,,,,,,,,,,,,,0.0
O=C(CSc1nnc(-c2ccc(F)cc2)o1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1,CID649171,,,0.0,0.0,0.0,,,,,,0.0,,,,,,0.0
Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)o2)cc1,CID652681,,,,,,0.0,0.0,,,0.0,,,,,,0.0,0.0
O=C(NCCCCNC(=O)c1cccs1)c1cccs1,CID1752547,,,,,,,,,,,,,,0.0,,,
O=C(NCCCCNC(=O)c1ccc(Cl)s1)c1ccc(Cl)s1,CID3100298,,,,,,,,,0.0,,,,,,,,
O=C(c1ccc(Cl)cc1)C12CN3CN(CN(C3)C1)C2,CID655422,0.0,0.0,,0.0,,,0.0,,,,,,,,,0.0,0.0
CCc1ccc(C(=O)C23CN4CN(CN(C4)C2)C3)cc1,CID683945,,,,,,,,,,0.0,,,,,,,
O=C1CC(C(=O)N(c2cccc(F)c2)C(C(=O)NC2CCCC2)c2ccccn2)CS1,CID655424,,,,,,0.0,,,,,,,,,,,
O=C1CC(C(=O)N(c2ccc(F)cc2)C(C(=O)NC2CCCC2)c2ccccn2)CS1,CID645293,,,,,,,,,,0.0,,,0.0,,,,
Cc1noc(C)c1COC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1,CID2128431,0.0,,,0.0,,,,0.0,,,,,,,,,0.0
Cc1noc(C)c1COC(=O)C(C)NS(=O)(=O)c1ccc(Cl)c(Cl)c1,CID2482271,,,,,,,,,,,,,,0.0,,,
O=C1N/C(=C/c2cccn2-c2ccc(F)cc2)C(=O)N1Cc1ccccc1,CID1778458,,,,,,,,,,,,0.0,,,,,
O=C1N/C(=C/c2cccn2-c2ccccc2)C(=O)N1Cc1ccccc1F,CID5811002,,,,,,,,,,,,,,0.0,,,
Cc1cccn2cc(CCNS(=O)(=O)c3ccc4c(c3)OCCO4)nc12,CID5310429,,,,,,,,,,,,,,,,,0.0
O=S(=O)(NCCc1cn2ccccc2n1)c1ccc2c(c1)OCCO2,CID5310523,,,,,,,0.0,,,,,,0.0,,,,
CCOC(=O)Cc1csc(NC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)n1,CID5308212,,,,,,,,,,0.0,,,,,,0.0,
Cc1csc(NC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)n1,CID5308095,,0.0,,,,,,,,,,,,,,0.0,
O=C1CN(C(=O)CNC(=O)c2cccc(Cl)c2)c2ccccc2N1,CID2445726,,,,,,,,,,,,,,,0.0,,
O=C1CN(C(=O)CNC(=O)c2ccccc2Cl)c2ccccc2N1,CID2104891,,,,,,,,,,,,,,,0.0,,
O=C(Nc1nc2ccccc2[nH]1)C12CC3CC(CC(C3)C1)C2,CID3248311,,,,,,,,,,,,0.0,,,,,
CCCn1c(NC(=O)C23CC4CC(CC(O)(C4)C2)C3)nc2ccccc21,CID3978879,,,,,,,,,,,,,,0.0,,,
COC(=O)c1cc(NC(=O)CC2C(=O)NCCN2C(=O)c2ccccc2)cc(C(=O)OC)c1,CID2979988,,,,,,,0.0,,,,,,,,,,
COc1ccccc1C(=O)N1CCNC(=O)C1CC(=O)Nc1ccc(Cl)cc1,CID2981832,,,,,,,,,,,,,0.0,,,0.0,0.0
COc1ccc(OCc2ccc(C(=O)N3CCOCC3)cc2)cc1,CID827929,,,,,,,,,,,0.0,,,0.0,,,
Cc1ccc(OCc2ccc(C(=O)N3CCOCC3)cc2)cc1C,CID894880,0.0,,,,,,0.0,,0.0,,,,0.0,,,,
Cc1cccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)c1,CID780821,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1,CID766284,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n2C)cc1,CID2196012,,0.0,,0.0,,,,,,0.0,,0.0,,,,0.0,
Cn1c(CNC(=O)c2ccc(Cl)cc2)nnc1SCC(=O)Nc1sc2c(c1C#N)CCCC2,CID2197696,,,,,,,,,,,,0.0,,,,,
CCc1nc(SCC(=O)Nc2ccnc3ccccc23)n[nH]1,CID973895,,,,0.0,,,,0.0,,0.0,,,,0.0,,,
Cc1nc(SCC(=O)Nc2ccnc3ccccc23)n[nH]1,CID1397543,,0.0,,0.0,,,,0.0,,0.0,,,,,,0.0,
Cc1cc(C(=O)O)ccc1-n1c(C)cc(C=C2C(=O)c3ccccc3C2=O)c1C,CID987672,,,,,,,,,,,,,,0.0,,,
Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1ccccc1,CID878060,,,,,,0.0,,,,,,,,,,,
Cc1ccc2occ(/C=N/c3ncn[nH]3)c(=O)c2c1,CID948520,,,,,,,,,,,,,,0.0,,,
Cc1ccc2c(=O)c(/C=N/c3ncn[nH]3)coc2c1,CID940011,,,,,,,,,,,,,,0.0,0.0,,
CC(C)NC(=O)C(=O)NC1CCCCCC1,CID2286863,,,,,,,,,,,,,,0.0,0.0,,
O=CNCC(=O)NC1CCCCCC1,CID3240875,,,,0.0,,,,0.0,,,,0.0,,,,,
CC1(C)COC(Nc2ccc(Cl)cc2)=N1,CID754937,,,,,,,,,,,,,0.0,,,0.0,0.0
CC1(C)COC(Nc2cccc(Cl)c2)=N1,CID754914,,,,,,,,,,,,,,0.0,,,
COc1ccc(CNc2nc(S(=O)(=O)c3ccccc3)c(Cl)s2)cc1OC,CID2476667,,,,,,,,,,,,,,0.0,0.0,,
O=S(=O)(c1ccccc1)c1nc(NCc2ccccc2)sc1Cl,CID1106166,,,,,,,,,,,,,,0.0,,,
C(=N/n1cnnc1)\c1cn(Cc2ccccc2)c2ccccc12,CID867565,,0.0,,0.0,,0.0,,,,,,,0.0,0.0,,,
Clc1ccc(Cn2cc(/C=N/n3cnnc3)c3ccccc32)cc1,CID403058,,,,,,,,,,,,,,,,0.0,
CN(C)c1ccc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)cc1,CID867569,,,,0.0,,,,,0.0,,,,0.0,,,,
O=C(Nc1ccccc1)c1cccc(N2C(=O)CCC2=O)c1,CID867695,,,,,,,,,,,,0.0,,,,,
CC(=O)n1cc(C2C(=O)CCCC2=O)c2ccccc21,CID657802,,,,,,,,,0.0,0.0,,,0.0,,0.0,,
CC(=O)n1cc(C2C(=O)CC(C)(C)CC2=O)c2ccccc21,CID794732,,,0.0,,,,0.0,,0.0,,,,,,0.0,,
Cc1ccc(Cl)cc1N1CCN(C(=O)C2CCN(S(=O)(=O)c3cnc[nH]3)CC2)CC1,CID3242319,,0.0,,,0.0,,,,,,,,,,,,0.0
Cc1cccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4cnc[nH]4)CC3)CC2)c1C,CID3239534,,0.0,,0.0,,,,,,,,,,,,,0.0
CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCN(C(=O)c4ccco4)CC3)c21,CID3242313,,,,,,,,,,,,,,,,,0.0
CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)CC1C,CID3237387,,,,,,,,,0.0,,0.0,,,,,0.0,0.0
O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)Nc1cccc(C(F)(F)F)c1,CID3242311,0.0,,,,0.0,,,,,0.0,,,,,,,0.0
O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)Nc1ccc(C(F)(F)F)cc1,CID3245443,0.0,,,,0.0,,0.0,0.0,,0.0,,,,,,,
CCc1nnc2sc(-c3ccc(NC(=O)CSc4ccc(Cl)cc4)cc3)nn12,CID1254594,,,,,,,,,0.0,0.0,,,,,,,
Cc1nnc2sc(-c3ccc(NC(=O)CSc4ccc(Cl)cc4)cc3)nn12,CID2204323,,,,,,,,,0.0,,0.0,0.0,,,,,
COc1ccc2oc(-c3ccc(C)c(NC(=O)CSc4ccc(Cl)cc4)c3)nc2c1,CID1254592,,,,,,0.0,,,,,,,,,,,
COc1ccc2oc(-c3cccc(NC(=O)CSc4ccc(Cl)cc4)c3)nc2c1,CID2213626,,,,,,,,,,,,,,,0.0,,
Cn1cc(/C=N/n2cnc3scc(-c4ccccc4)c3c2=O)c2ccccc21,CID3244539,0.0,0.0,,,0.0,,0.0,,,0.0,,,,,,0.0,
Cn1cc(/C=N/n2cnc3scc(-c4ccc(Cl)cc4)c3c2=O)c2ccccc21,CID3242344,0.0,0.0,,,0.0,0.0,,,,,,,,,,,0.0
Cc1cc(Nc2nnnn2-c2ccccc2)n(-c2ccc(Cl)cc2)n1,CID2033394,0.0,,,,,,,,0.0,,,,,,,,
Cc1cc(Nc2nnnn2-c2ccccc2)n(-c2ccccc2)n1,CID1944626,,,,,,,,,,,0.0,,,,,,
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N)=NC2=O)cc1C,CID1337412,,,,,,0.0,,,,,,,,,,,
CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N)=NC2=O)cc1,CID1924867,,,,,,,,,,,,,,0.0,,,
CC1CCCC(NC(=O)CN2CCN(Cc3ccc(Cl)cc3)C2=O)C1C,CID3244784,,,,,0.0,,,,,,,,,,,0.0,0.0
CC1CCCCC1NC(=O)CN1CCN(Cc2ccccc2Cl)C1=O,CID3238753,,0.0,,,0.0,,,,,,,,0.0,,0.0,0.0,0.0
Cc1ccsc1/C=C1\CCc2ccccc2C1=O,CID2374619,,,,,,0.0,,,,0.0,,,,0.0,,,
O=C1/C(=C/c2cccs2)CCc2ccccc21,CID1810453,,,,,,,,,,0.0,,,,,,,
Cc1cccc(NC(=O)c2cc(NC(=O)c3ccco3)ccc2N2CCCCC2)c1,CID2212806,,,0.0,,,,,,,0.0,,0.0,0.0,,,,
Cc1ccc(NC(=O)c2cc(NC(=O)c3ccco3)ccc2N2CCCCC2)cc1,CID1320461,0.0,,,,,0.0,,0.0,,0.0,0.0,0.0,,,,0.0,0.0
Cc1ccc2c(c1)C(=O)C(NC(=O)c1ccc(Cl)c(Cl)c1)CS2,CID3743058,,,,,,,,,,,,0.0,,,,,
Cc1ccc2c(c1)C(=O)C(NC(=O)c1ccc(F)cc1)CS2,CID3678808,,,,,,,,,,,0.0,,,,,,
CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NCCSCc2ccco2)cc1,CID2289653,,,,,,,,,,,0.0,,,,,,
CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NCCSCc2ccco2)cc1,CID2287613,,,,,,,,,0.0,,,,,,,,
O=C1NC(c2ccco2)Nc2ccccc21,CID656251,,,,,,,0.0,0.0,,0.0,,0.0,,,,,
O=C1c2ccccc2NC(c2ccco2)N1O,CID147001,,0.0,,0.0,,,,,,,,0.0,0.0,,,,
Cc1cc(C)n(-c2nc(SCCN(C)C)c3c4c(sc3n2)COC(C)(C)C4)n1,CID3778366,,,,,,,,,,,,,,,0.0,,
CCC(O)CNc1nc(-n2nc(C)cc2C)nc2sc3c(c12)CC(C)(C)OC3,CID5166133,,,,,,,,,,,0.0,,,,,,
CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1,CID2216008,,,,,,,,,,,,,0.0,,,,0.0
CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)CN(C)S(=O)(=O)c1ccccc1,CID2219904,,,,,,,,0.0,,,,,0.0,,,0.0,0.0
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccccc3)C2=O)c1,CID2172285,,,,,,,,,,,,,,0.0,,,
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc(Cl)cc3)C2=O)c1,CID2281759,,,,,,0.0,,,,,,,,,,,
O=c1[nH]c2cc3c(cc2cc1CN(CCCO)Cc1nnnn1Cc1ccc(F)cc1)OCO3,CID644510,,0.0,,,,,0.0,,,,,,,,,,
CC(C)C(c1nnnn1Cc1ccccc1)N(CCCO)Cc1cc2cc3c(cc2[nH]c1=O)OCO3,CID650484,,,,,,,,,,,0.0,0.0,0.0,,,0.0,
COc1ccc(/C=N/OCC(=O)N(Cc2ccc(OC)cc2)c2ccccc2C(=O)O)cc1,CID2310255,,,,,,,,,,,,,,,0.0,,
O=C(O)c1ccccc1N(Cc1ccccc1)C(=O)CO/N=C/c1ccccc1,CID2310247,,,,,,,,,,,,,,0.0,,,
CC1Cc2ccccc2N1C(=O)CSc1nnnn1C(C)C,CID3212967,,,,,,0.0,,,,,0.0,,,,,,
CCn1nnnc1SCC(=O)N1CCc2ccccc21,CID855241,,,,,,,,,,0.0,,,,,,,
COc1ccc(CNC(=O)C2CCN(c3nc(OC)nc(OC)n3)CC2)cc1,CID3222665,,,,,,,,,,,,0.0,,,,,
COc1nc(OC)nc(N2CCC(C(=O)NCc3ccc(F)cc3)CC2)n1,CID3222670,,,,,,0.0,,,,,,,,,,,
FC(F)(F)c1nnc2sc(-c3ccccn3)nn12,CID665916,0.0,,,,0.0,,0.0,,,,,,,,,,
Cc1nnc2sc(-c3ccccn3)nn12,CID666152,,,0.0,0.0,,,,,,0.0,,,0.0,,,,
COCCn1c(Sc2nc(C)cs2)nc2c1c(=O)[nH]c(=O)n2C,CID665918,0.0,,,0.0,,,0.0,,,,,,0.0,,,,
C=CCn1c(Sc2nc(C)cs2)nc2c1c(=O)[nH]c(=O)n2C,CID2990102,,,,,,0.0,,,,,,,,,,,
O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1)N1C(=O)CCCC1=O,CID2235475,,,,,,0.0,,,,,,,,,,,
O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Br)cc1)N1C(=O)CCCC1=O,CID2233212,,,,,,,,,0.0,,,,,,,,
O=C1C2C(C(=O)N1CCc1ccccc1)C1C=CC2C12CC2,CID2856677,,,,,,,,,,0.0,,,,,,,
COc1ccc(CCN2C(=O)C3C(C2=O)C2C=CC3C23CC3)cc1OC,CID2856957,,,,,,,,,,,,,,,0.0,,
COC(=O)C1CC(=O)N(CCc2c[nH]c3ccccc23)C1,CID3393239,,,,,,,,,,,,0.0,,,,,
O=C(O)C1CC(=O)N(CCc2c[nH]c3ccccc23)C1,CID653079,,,,,,,,0.0,,0.0,,,,,0.0,,
O=C(Nc1ccc2c(c1)OCO2)C1CCCCN1S(=O)(=O)c1ccccc1,CID5034149,,,,,,,,,,,,,,0.0,,,
O=C(Nc1ccc2c(c1)OCO2)C1CCCCN1S(=O)(=O)c1ccc(F)cc1,CID3241802,,,0.0,,,,0.0,0.0,,,,,,,0.0,,
S=c1[nH]nc(-c2ccc3c(c2)OCO3)n1-c1ccccc1,CID2423962,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C)c(-n2c(-c3ccc4c(c3)OCO4)n[nH]c2=S)c1,CID843793,,,,,,,,,,,,,,0.0,0.0,,
Cn1c(C(=O)OCC(=O)NCc2cccs2)cc2sccc21,CID655152,,,,,0.0,0.0,,,,,0.0,,,,,,
CC(OC(=O)c1cc2sccc2n1C)C(=O)NCc1cccs1,CID653677,,,0.0,,0.0,,0.0,,,0.0,,,0.0,,,,
CCN(C(=O)COc1ccccc1)c1nnc(-c2cccnc2)s1,CID655154,,0.0,,,,0.0,0.0,0.0,,,0.0,,,,,,0.0
CN(C(=O)COc1ccccc1)c1nnc(-c2cccnc2)s1,CID651096,0.0,0.0,,,,,,0.0,,,,,,0.0,,0.0,0.0
COc1ccccc1NC(=O)N(Cc1ccccc1)C1=NCC(C)S1,CID3239926,0.0,,,0.0,0.0,0.0,,,,,,,,0.0,,,
CC1CN=C(N(Cc2ccccc2)C(=O)Nc2ccccc2)S1,CID562408,,,,,,0.0,,,,,0.0,,,,,,
Cc1nc(SCC(=O)N2CC(C)OC(C)C2)nc(C)c1C,CID3648655,,,,,,,,,,,0.0,,,,,,
Cc1cc(C)nc(SCC(=O)N2CCOCC2)n1,CID695461,,,,0.0,,,,,,,,,,,,,0.0
COc1ccc(C(=O)C2CCCN(C(=O)C3=CCCC3)C2)cc1OC,CID16187644,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)C2CCCN(C(=O)C3=CCCC3)C2)c(C)c1,CID16190249,,,,,,,,,,,,,,,0.0,,
O=C(c1ccc(Cl)cc1)C1CCCN(Cc2cccn2-c2ccccn2)C1,CID16187647,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)C2CCCN(Cc3cccn3-c3ccc(Cl)cn3)C2)c(OC)c1,CID16192348,,,,,,,,,,,,,,,0.0,,
CC1=C(C(=O)Nc2ccccc2)C(c2cccc([N+](=O)[O-])c2)N=C2Nc3ccccc3N21,CID5741391,,,,,,,,,0.0,,,,,,,,
COc1ccc(OC)c(C2N=C3Nc4ccccc4N3C(C)=C2C(=O)Nc2ccc(C)cc2C)c1,CID5741180,,,,,,,,,0.0,0.0,,,,,,,
CCOC(=O)N1CCN(S(=O)(=O)c2cccc3cccnc23)CC1,CID648962,,,0.0,,,,,,,,,,0.0,,,,0.0
CCOC(=O)N1CCN(S(=O)(=O)c2cccc3ccc(C)nc23)CC1,CID1299466,,0.0,,,,,,,,,,,,,,,0.0
Cc1[nH]nc2c1C1(CCN(C(=O)c3ccccc3)CC1)C(C#N)=C(N)O2,CID648966,,,,,,,,,,,,,,,,0.0,0.0
CCc1[nH]nc2c1C1(CCN(C(=O)c3ccccc3)CC1)C(C#N)=C(N)O2,CID1203560,,0.0,,,,,,,0.0,,0.0,,,,,0.0,
CCCCOc1ccc(-c2nnn(CC(=O)Nc3ncc(CC(=O)OCC)s3)n2)cc1,CID648965,0.0,,,,0.0,,,,,,,,,,,0.0,
CCOC(=O)Cc1cnc(NC(=O)Cn2nnc(-c3ccc(OCC)cc3)n2)s1,CID654708,,0.0,,0.0,0.0,,,,,,,0.0,,,,0.0,
Nn1c(SCc2cccc3ccccc23)nnc1-c1ccco1,CID663323,0.0,0.0,0.0,0.0,,0.0,0.0,,,,0.0,,,,,,
Cn1c(SCc2cccc3ccccc23)nnc1-c1ccco1,CID936471,0.0,,,,,,0.0,,,,,,,0.0,,,
Cc1ccc(N(C(=O)CCC(=O)Nc2cc(C)on2)C(C(=O)NC2CCCC2)c2cccs2)cc1,CID3210696,,,,,,,,,0.0,,,,,,,,
Cc1cc(NC(=O)CCC(=O)N(c2ccccc2)C(C(=O)NC2CCCC2)c2cccs2)no1,CID645511,,0.0,,,,,,,,,,,,,,0.0,0.0
Cc1ccc(C)c2[nH]c(=O)c(C(c3nnnn3CCc3ccccc3)N3CCOCC3)cc12,CID654205,,,,,,,,,,0.0,,,,,,,
Cc1ccc2[nH]c(=O)c(C(c3nnnn3CCc3ccccc3)N3CCOCC3)cc2c1,CID653715,,,,,,,,,,0.0,,,,,,,
CC(C)C(c1nnnn1Cc1ccc(F)cc1)N1CCSCC1,CID654208,0.0,,,0.0,,,,0.0,,,,,,,,,
CC(C)C(c1nnnn1Cc1ccccc1)N1CCSCC1,CID652611,,0.0,,0.0,0.0,,,0.0,,,,,0.0,,,0.0,
CCOc1ccc2nc(NC(=O)C3CCN(S(=O)(=O)c4cnc[nH]4)CC3)sc2c1,CID5309419,,,,,,0.0,,,,,0.0,,,,,0.0,
COc1ccc2nc(NC(=O)C3CCN(S(=O)(=O)c4cnc[nH]4)CC3)sc2c1,CID3238247,,0.0,,,0.0,,,,0.0,,0.0,,0.0,0.0,,,
COC(=O)c1ccccc1NC(=O)C1CCCN(c2nnc(-n3cccc3)s2)C1,CID5309411,0.0,,0.0,,,,,0.0,,,,,,,,0.0,
CC(=O)Nc1ccc(NC(=O)C2CCCN(c3nnc(-n4cccc4)s3)C2)cc1,CID3242409,,,,,,0.0,,,,,,,,,,,
COc1ccc(-n2c(SCC(=O)Nc3cc(C)on3)nc3ccc(O)cc3c2=O)cc1OC,CID2564633,,,,,0.0,,,,,,,,0.0,,,,0.0
COc1cccc(-n2c(SCC(=O)Nc3cc(C)on3)nc3ccccc3c2=O)c1,CID2595529,,,,,0.0,,,,,,,,,,,0.0,0.0
COC(=O)c1cccc(NC(=S)NCCC2=CCCCC2)c1,CID726368,,,,,,,,,,,,0.0,,,,,
CC(=O)c1cccc(NC(=S)NCCC2=CCCCC2)c1,CID978062,,,,,,,,,,,,0.0,,,,,
O=C(NCc1ccco1)c1cccc(NS(=O)(=O)c2cccc(F)c2)c1,CID984873,,,,,,,,,,,,,,0.0,,,
O=C(NCc1ccco1)c1cccc(NS(=O)(=O)c2ccccc2F)c1,CID984927,,,,,,,,,,,,,,0.0,,,
O=S(=O)(Nc1nc(CN2CCOCC2)nc2sc3c(c12)CCCC3)c1cc(F)ccc1F,CID2104695,,,,,0.0,,,,,,,,,,,,
CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(CN3CCOCC3)nc3sc4c(c23)CCCC4)cc1,CID2123590,,,,,,,,,,,,0.0,,,,,
COCCN1C(=O)c2ccccc2C(C(=O)NCCCN2CCCC2=O)C1c1c[nH]c2ccccc12,CID3245276,,,,,,,,,,,,,,,,,0.0
CN1C(=O)c2ccccc2C(C(=O)NCCCN2CCCC2=O)C1c1c[nH]c2ccccc12,CID3241758,,,,,,,,,,,,,,,,,0.0
C=CCN(C(=O)CCC(=O)Nc1cc(C)on1)C(C(=O)NC1CCCC1)c1cccnc1,CID655977,,,,0.0,,,,,,,,0.0,,,,,
Cc1cc(NC(=O)CCC(=O)N(CCC(C)C)C(C(=O)NC2CCCC2)c2cccnc2)no1,CID644716,,0.0,,,,0.0,0.0,,,,,0.0,0.0,,,,
Cc1ccnc(NC(=O)CCC(=O)N(CC(=O)NC2CCCCC2)c2ccc3c(c2)OCO3)c1,CID655975,,,,,,0.0,0.0,,0.0,,0.0,,,,,,
O=C(CCC(=O)N(CC(=O)NC1CCCCC1)c1ccc2c(c1)OCO2)Nc1ccccn1,CID651098,,,,,,,0.0,,0.0,,0.0,,,0.0,0.0,,
O=C(CCN1C(=O)COc2ccccc21)NCc1cccnc1,CID3238847,,0.0,,0.0,,,,,,,,,,,,,
Cc1ccc2c(c1)N(CCC(=O)NCc1cccnc1)C(=O)CO2,CID3236048,,,,0.0,,,,0.0,0.0,,,,,,,,
Cc1ccc(N2C(=O)CSC2c2cccnc2)cc1F,CID3238842,,,0.0,,,,0.0,,,,,0.0,,,0.0,,
O=C1CSC(c2cccnc2)N1c1ccc(Cl)cc1,CID2731884,,,,,,,,,,,,,,,0.0,,
COc1cc2c(cc1OC)C(C(=O)O)C(c1ccc(C)o1)N(C)C2=O,CID3242661,,,,,,,,0.0,,,0.0,,,,,,
Cc1ccc(C2C(C(=O)O)c3ccccc3C(=O)N2C)o1,CID3483757,,,,,,,,,,0.0,,,,0.0,,,
COc1cccc(=O)c2c(C)n(-c3ccc(C(=O)O)cc3)c(C)c12,CID908963,,,,,,,,,,,,,,0.0,,,
COc1cccc(=O)c2c(C)n(-c3cc(C)cc(C)c3)c(C)c12,CID803954,,,,,,0.0,,,,,,,,,,,
COc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(-c3c(C)n(C)n(-c4ccccc4)c3=O)c2)c1,CID2999406,0.0,,,,,0.0,,,0.0,,0.0,0.0,,,,,0.0
Cc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(-c3c(C)n(C)n(-c4ccccc4)c3=O)c2)c1,CID4276794,,,,,,,,,,0.0,,,,,,,
CC(=O)NC(CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1,CID2999409,,,0.0,0.0,0.0,,,0.0,0.0,0.0,0.0,,,,,,0.0
O=C(CCc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1,CID1077841,,,,,,,,,,,,,,0.0,,,
O=C(COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1ccc2c(c1)OCO2,CID2432538,,,0.0,,,,,,0.0,0.0,,,,,,0.0,
O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)Nc1ccc2c(c1)OCO2,CID2432882,,,0.0,,,,,,0.0,,,,0.0,,,,
CCC(C)N(C(=O)CSc1ccc(NC(C)=O)cc1)C1CCS(=O)(=O)C1,CID4876732,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccc(SCC(=O)N(C)C2CCS(=O)(=O)C2)cc1,CID2940172,,,,,,,,,,,,,,0.0,,,
O=C(CCSCCC(=O)NCc1ccccc1)NCc1ccccc1,CID562133,,,,,,,,,,,,0.0,,,,,
Cc1ccc(CNC(=O)CCSCCC(=O)NCc2ccc(C)cc2)cc1,CID1769391,,,,,,,,,,,,0.0,,,,,
COc1ccc(-n2c(SCC(N)=O)nnc2-c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1,CID3168312,,,,,,,,,,,,0.0,,,0.0,,
COc1ccc(-n2c(SCC#N)nnc2-c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1,CID654486,,,,,,0.0,,,,,,,0.0,,,,0.0
CCOC(=O)N1CCN(C(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)CC1,CID1148769,,,,,0.0,,,,0.0,,0.0,,,,,,
CCOC(=O)N1CCN(C(=O)C(C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)CC1,CID2928726,,0.0,,,0.0,,,,,,0.0,,,,,0.0,0.0
Cc1nc2ccc(S(=O)(=O)NCC(=O)NCCN3CCCCC3C)cc2s1,CID3241316,,0.0,,,,,,,0.0,,,,0.0,,,0.0,
CCC1CCCCN1CCNC(=O)CNS(=O)(=O)c1ccc2nc(C)sc2c1,CID3239221,,,,0.0,,0.0,,,0.0,0.0,,,,,,0.0,
CCOc1ccc(-c2cc(C(=O)N3CCC4(CC3)OCCO4)c3ccccc3n2)cc1,CID3241312,,,,,0.0,,,0.0,,0.0,,,,,,,
O=C(c1cc(-c2ccccc2)nc2ccccc12)N1CCC2(CC1)OCCO2,CID3237707,,0.0,0.0,,0.0,,,,0.0,,,,0.0,,,,
CCc1ccc(NC(=O)CSc2nc3cc(C(=O)OC)ccc3c(=O)n2CC2CCCO2)cc1,CID4167316,,,,,,0.0,,,,,,,,,,,
COC(=O)c1ccc2c(=O)n(CC3CCCO3)c(SCC(=O)Nc3ccccc3OC)nc2c1,CID3237892,,,0.0,,0.0,,,,0.0,,,,0.0,,,,0.0
CS(=O)(=O)N1CCCC(C(=O)NCCN2CCC(Cc3ccccc3)CC2)C1,CID3241319,,,,0.0,,,,,,,,,,,,,
CCS(=O)(=O)N1CCCC(C(=O)NCCN2CCC(Cc3ccccc3)CC2)C1,CID3237491,,,,,,,,0.0,,,,,,,,0.0,
Brc1ccc(CN2CCN(c3ccccn3)CC2)s1,CID2838302,,,,,,,,,0.0,,0.0,0.0,,,,,
Cc1ccsc1CN1CCN(c2ccccn2)CC1,CID792508,,,,0.0,,,0.0,0.0,,,,,,,,0.0,
COc1ccccc1/C=N/N(C(C)=O)c1nc(-c2ccc(F)cc2)cs1,CID3513308,,,,,,,,,,,,,,,0.0,,
COC(=O)c1ccc(/C=N/Nc2nc(-c3ccccc3)cs2)cc1,CID2832452,,,,,,,,,,,,,,0.0,,,
Fc1cccc(Cl)c1Cn1nnc2c(NCc3ccccn3)ncnc21,CID651509,,,,,,,,,,0.0,,,,,,,
Fc1ccccc1Cn1nnc2c(NCc3ccccn3)ncnc21,CID655452,,0.0,,0.0,0.0,,,,,,,,,,,,
Cc1ccccc1CS(=O)(=O)CCC(=O)NCCCN1CCOCC1,CID3237976,,,,,,,0.0,,,,,,,,,,
O=C(CCS(=O)(=O)Cc1ccc(Cl)cc1)NCCCN1CCOCC1,CID4177498,,,,,,,,,,,0.0,0.0,,,,,
Cc1c(C(=O)NCCCN2CCOCC2)sc2nc(-c3ccc(F)cc3)cn12,CID3237977,,0.0,,,,,,0.0,,0.0,,0.0,,,,,
Cc1c(C(=O)NCCCN2CCOCC2)sc2nc(-c3ccccc3)cn12,CID5310220,,0.0,,,,,,,,,,,,,,,
CCCn1c(SCC(=O)N2CCN(c3ccc(OC)cc3)CC2)nc2c1c(=O)n(C)c(=O)n2C,CID651504,,,0.0,0.0,,,,,,0.0,,,,,,,
COc1ccc(N2CCN(C(=O)CSc3nc4c(c(=O)n(C)c(=O)n4C)n3C(C)C)CC2)cc1,CID648775,,,,,,,0.0,0.0,,,,,,,,,
CCCN(CC1CC1)C(=O)CSc1ncnc2sc(C)c(C)c12,CID2429227,,,,,,0.0,,,,,,,,,0.0,,
CCCN(CC1CC1)C(=O)CSc1ncnc2sccc12,CID2373458,,,,,,,,,,,,,,0.0,,,
CCN(CC)C(=O)c1sc2nc(-c3cccs3)cc(-c3cccs3)c2c1N,CID658221,,,0.0,,,,0.0,,0.0,,,,,,,0.0,
CC(C)NC(=O)c1sc2nc(-c3cccs3)cc(-c3cccs3)c2c1N,CID1772756,,,,,,,,,0.0,,,,,,0.0,,
Cc1csc(SCc2nc3sc4c(c3c(=O)[nH]2)CCC4)n1,CID2532727,,,0.0,,0.0,,,,,,,,,,,,
CCOC(=O)Cc1csc(SCc2nc3sc4c(c3c(=O)[nH]2)CCC4)n1,CID2571080,,,,,,,,,0.0,,,,,,,,
Cn1c(NC(=O)c2ccccc2)c(-c2cccs2)c(=O)c2ccccc21,CID1845762,,,,,,,,,,,0.0,0.0,,,,,
Cc1ccc(C(=O)Nc2c(-c3cccs3)c(=O)c3ccccc3n2C)cc1,CID2030485,,,,,,,,,,,,0.0,,,0.0,,
C/C(=N\NC(=O)c1nn(C)cc1Br)c1ccncc1,CID772593,,,,,,,,,,,,,,,0.0,,
C/C(=N\NC(=O)c1nn(C)cc1Cl)c1ccncc1,CID1219415,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C(=O)OCc2cn(-c3ccccc3)nn2)cc1,CID1478608,,,,,,,,,,,,,,,0.0,,
O=C(OCc1cn(-c2ccc(Cl)cc2)nn1)c1ccccc1,CID1475808,,,,,,0.0,,,,,,,,0.0,,,
Cc1ccc2c(c1)=C1CCC3=CNNC3=C1N=2,CID5389109,,,,,,,,0.0,,,,,,,,,
Clc1ccc2c(c1)=C1CCC3=CNNC3=C1N=2,CID5310693,,,,,,,0.0,,,0.0,,,,,,,
CCOC(=O)C(C(=O)Nc1cccc(C)n1)C1CCCCC1,CID3144503,,,,,0.0,0.0,,,0.0,,0.0,,0.0,,,,
CCOC(=O)C(C(=O)Nc1ccccn1)C1CCCCC1,CID2899706,,,0.0,,,,,,,0.0,0.0,,0.0,,,,
Cn1ccnc1SCc1cn2cc(Br)ccc2n1,CID3000090,,,,,,,,,0.0,,0.0,,,,,,0.0
Cn1ccnc1SCc1cn2ccccc2n1,CID2998592,,0.0,,0.0,,,,,,,,,0.0,,,,0.0
O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)C1COc2ccccc2O1,CID3147857,,,,,,,,,,0.0,0.0,,,,,,
COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)C3COc4ccccc4O3)cc2)c1,CID2915104,,,,,0.0,,,,,0.0,0.0,,,,,,
CC(Oc1ccc(Cl)cc1Cl)c1nc(-c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)no1,CID2952609,,,,,,,,,,,,0.0,,,,,
Cc1ccccc1OCc1nc(-c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)no1,CID3237822,0.0,,0.0,,,0.0,,0.0,,0.0,,0.0,0.0,,,,
Cc1nc2c(=O)oc3ccccc3c2n1-c1ccccc1,CID773647,0.0,,,0.0,0.0,,,0.0,0.0,,,,0.0,,,0.0,
O=c1oc2ccccc2c2c1ncn2-c1ccccc1,CID55662,0.0,,,,0.0,,,,,,,,0.0,0.0,,,
CCCCNC(=O)C1c2ccccc2C(=O)N(c2ccc(OC)cc2)C1c1ccc(OC)cc1,CID9551206,,,,,,,,,,,,0.0,,,,,
CCOC(=O)CNC(=O)C1c2ccccc2C(=O)N(c2ccc(OC)cc2)C1c1ccc(OC)cc1,CID9551207,,,,,,,,,,,,,,0.0,,,
N#Cc1nc(-c2ccc(F)cc2)oc1N1CCCC1,CID661055,,,,,,,0.0,0.0,,,,,,,,,0.0
N#Cc1nc(-c2ccccc2F)oc1N1CCCC1,CID891850,,,,0.0,,,0.0,,,,,0.0,0.0,,,,
O=C(CN(Cc1ccco1)C(=O)c1cc(=O)[nH]c2ccccc12)Nc1ccccc1C(F)(F)F,CID2603870,,,,,,,,,,,,,,,,,0.0
O=C(CN(Cc1ccco1)C(=O)c1cc(=O)[nH]c2ccccc12)Nc1ccccc1Br,CID2077685,0.0,,,,,,0.0,,0.0,,0.0,,,,,0.0,
Cc1cc(NC(=O)COn2nnc3ccc(Cl)cc32)no1,CID2108414,,,0.0,,,,0.0,,,,,,0.0,,,,
Cc1cc(NC(=O)COn2nnc3ccccc32)no1,CID2118471,,,0.0,,,,,,0.0,,,,,,0.0,,
Cc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1NC(=O)c1ccco1,CID662588,0.0,0.0,,,,,,,,,,,0.0,,,,
Cc1nn2c(-c3cccc(NC(=O)c4ccco4)c3)nnc2c2ccccc12,CID1988918,,,0.0,0.0,,,,0.0,,,,,,,,,
CCN(CC)S(=O)(=O)c1ccc(C(=O)OCCNC(=O)c2cccnc2)cc1,CID2322587,,,,,,,,,0.0,0.0,,,,,,,
Cc1cc(C)c(C(=O)OCCNC(=O)c2cccnc2)cc1C,CID2135046,,,,,0.0,,0.0,,0.0,,,,,0.0,,,0.0
O=c1c(-c2nc3ccccc3s2)cccn1Cc1ccccc1,CID1472012,,,,,,0.0,,,,,,,,,,,
O=c1c(-c2nc3ccccc3s2)cccn1Cc1ccc(Cl)cc1,CID1472014,,,,,,,,,,,,,,,0.0,,
Cc1ccccc1OCCCN1CCCC1,CID2058861,,0.0,,,,,0.0,0.0,,,,,,,,0.0,
Cc1cccc(C)c1OCCCN1CCCC1,CID1819326,,,,,,,,,,0.0,,0.0,,,0.0,,
c1ccc(Cc2nc3ccccc3o2)cc1,CID16179,,,,,,0.0,,,,,,,,,,,
Cc1ccc2nc(Cc3ccc(N)cc3)oc2c1,CID648914,0.0,,,0.0,,,,0.0,,0.0,,0.0,0.0,,,0.0,
Cc1ccc(N2CCN(CCc3nc4cc(NC(=O)c5ccco5)ccc4n3C)CC2)cc1,CID667060,0.0,0.0,0.0,,,,,,,,,,,,,,
Cn1c(CCN2CCN(c3ccccc3)CC2)nc2cc(NC(=O)c3ccco3)ccc21,CID666259,0.0,,,,,,,,,0.0,,,0.0,,,0.0,1.0
Cc1ccc(CNC(=O)C2CCC(=O)N2C2CCCCC2)cc1,CID3245333,0.0,,,0.0,,,,,,,,,,,,,
O=C(NCc1ccc(F)cc1)C1CCC(=O)N1C1CCCCC1,CID3238333,,0.0,,,,,,0.0,,,,0.0,,,,,
CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OCC(=O)N2CCCCC2)cc1,CID3245332,,,,,,,0.0,0.0,,,0.0,,0.0,,,,
COC(=O)C1=C(C)NC(=O)NC1c1ccc(OCC(=O)N2CCCCC2)cc1,CID3241888,,,,,,0.0,,,,,,,,,,,0.0
O=C(c1noc2c1CCCC2)N1CCN(c2ccccc2)CC1,CID3244463,0.0,0.0,,,,,,0.0,,,,,0.0,0.0,,,0.0
O=C(c1noc2c1CCCC2)N1CCN(c2ccc(F)cc2)CC1,CID3237283,,,,,,,0.0,,,,,,,,,,
CCOC(=O)c1oc2ccccc2c1NC(=O)C1CCCCC1,CID3244461,,,,0.0,,,,,,,,,,,,,0.0
NC(=O)c1oc2ccccc2c1NC(=O)C1CCCCC1,CID5310256,,,,0.0,,,0.0,,,,,,,,,0.0,
Cc1ccc(S(=O)(=O)NCC2CCC(C(=O)NCCCN3CCOCC3)CC2)cc1,CID3244467,,,,,0.0,,,0.0,,,,,,0.0,,,
Cc1cc(C)c(S(=O)(=O)NCC2CCC(C(=O)NCCCN3CCOCC3)CC2)c(C)c1,CID3243285,,,,,0.0,,,,,,,,,,,,
Cc1ccc(C)c(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)NCc2ccco2)c1,CID3244468,,,,,0.0,,,,,,,,,,,0.0,
Cc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)NCc2ccco2)c1,CID3237510,,,0.0,0.0,0.0,,,,,,0.0,,,,,0.0,
CCOC(=O)C1CCN(C(=O)COC(=O)c2ccc(Br)o2)CC1,CID2365498,0.0,,,,,,,,,,0.0,0.0,,,,,0.0
CC1CCN(C(=O)COC(=O)c2ccc(Br)o2)CC1,CID2370583,,,,,,,,,,,0.0,,,,,,
CCS(=O)(=O)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1,CID1151584,,,,,,0.0,,,,,,,,0.0,,,
CCOC(=O)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1,CID2925136,,,,,,,,,,,,,0.0,0.0,,,
Cc1nnc(SCCN2CCOCC2)c2nn(-c3ccccc3F)c(C)c12,CID990454,,,,,,,,,,,,,,0.0,,,
Cc1ccc(-n2nc3c(SCCN4CCOCC4)nnc(C)c3c2C)cc1,CID990451,,,,,,,,,,,,,,,0.0,,
CC1=C(CC(=O)c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O,CID1473361,,,,,,0.0,,,,,,,,,,,
CC1=C(CC(=O)c2ccccc2)C(=O)c2ccccc2C1=O,CID1473358,,,,,,,,,,,,,,0.0,,,
COc1nc(C)ccc1-c1noc(-c2ccncc2)n1,CID913828,,0.0,0.0,0.0,,,,,,,,0.0,,,0.0,,
CCOc1nc(C)ccc1-c1noc(-c2ccncc2)n1,CID913909,,0.0,,,,,,0.0,,0.0,,,,,,,
COCCCNC(=O)c1c(N)n(/N=C/c2cccs2)c2nc3ccccc3nc12,CID661832,,0.0,,,0.0,,,,,0.0,,,,,,,
COCCNC(=O)c1c(N)n(/N=C/c2cccs2)c2nc3ccccc3nc12,CID662020,,,,,0.0,,,,,,0.0,,,,,0.0,
CCC(=O)Nc1ccccc1C(=O)OCc1ccc(C(=O)c2ccccc2)cc1,CID2302025,,,,,,0.0,,,,,,,,,,,
CC(=O)Nc1ccccc1C(=O)OCc1ccc(C(=O)c2ccccc2)cc1,CID1262376,,,,,,0.0,,,,,,,,,,,
O=C(c1ccco1)N(Cc1cc2ccccc2[nH]c1=O)C1CCCCC1,CID664346,0.0,,0.0,,,,0.0,,0.0,,,0.0,0.0,,,0.0,0.0
COc1ccc2[nH]c(=O)c(CN(C(=O)c3ccco3)C3CCCCC3)cc2c1,CID665193,,,0.0,,,,,,0.0,,0.0,,,,,,
CCCCCc1c(C)[nH]c(N2CCc3ccccc32)nc1=O,CID664342,0.0,,,,0.0,,,,,,,0.0,,,,0.0,
Cc1[nH]c(N2CCc3ccccc32)nc(=O)c1CCC(C)C,CID945378,0.0,,,,0.0,,,,,,,0.0,0.0,,,,
CCOC(=O)c1c(C)c(C(=O)NCc2cccs2)c(C)n1CC,CID3240215,0.0,,,0.0,0.0,,,0.0,,,,0.0,,,,,0.0
CCOC(=O)c1c(C)c(C(=O)NCc2cccs2)c(C)n1C,CID3239060,,,0.0,0.0,0.0,,0.0,0.0,,,,,,,,,0.0
CCOC(=O)C1CCN(C(C(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2)CC1,CID3240212,,,,0.0,,,,0.0,0.0,,,,0.0,,,,
CC1CCCN(C(C(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2)C1,CID3240990,,,0.0,,,,,,,,,,0.0,,,,
O=C(/C=C/c1ccccc1)NNC(=O)C1CC1,CID2361491,,,,,,0.0,,,,0.0,,0.0,,,,,
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NNC(=O)C1CC1,CID5672488,,,,,,,,,,,,,,0.0,,,
CC(NCC1CCCO1)=C1C(=O)CC(C)(C)CC1=O,CID2874280,,,0.0,,,,,,,,,,0.0,,,,0.0
CC1(C)CC(=O)C(=CNCC2CCCO2)C(=O)C1,CID2841583,,,,,0.0,,,0.0,,,,,,,,,0.0
OCCn1c(SC2CCCCC2)nc2ccccc21,CID720880,,,,0.0,0.0,,0.0,,0.0,,,,,,,,
O=C(O)Cn1c(SC2CCCCC2)nc2ccccc21,CID793004,,,,0.0,,0.0,0.0,0.0,,,,0.0,,,,,
Cc1n[nH]c(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)nc1=O,CID2098834,,0.0,,,0.0,,,,,,,,,,,0.0,0.0
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nc(=O)c(C)n[nH]3)CC2)cc1,CID2093371,,,,0.0,0.0,,0.0,,,,,,,,,0.0,0.0
O=C1c2ccccc2C(=O)N1CSc1nnc(Nc2ccccc2)s1,CID2454688,,,,,,,,,,,,,,0.0,,,
COc1cccc(Nc2nnc(SCN3C(=O)c4ccccc4C3=O)s2)c1,CID2559277,,,,,,,,,,,,,,0.0,,,
O=C(NCCSc1ccc(Cl)cc1)c1ccco1,CID1815798,,,,,,,,,,0.0,,,,,,,
O=C(NCCSc1ccccc1)c1ccco1,CID644444,,,,0.0,0.0,0.0,0.0,,,0.0,,,0.0,,,,
COc1ccc(OC(=O)COc2ccc(C)cc2)cc1,CID966575,,,,,,,,,,,,,,0.0,,,
CC(=O)c1ccccc1OC(=O)COc1ccc(Cl)cc1C,CID968997,,,,,,,,,,,,,,0.0,,,
Cc1ncc(CC(=O)n2cc(C(=O)c3cc(F)ccc3O)cn2)s1,CID2414385,,,,,,,,,,,,,,0.0,0.0,,
Cc1ncc(CC(=O)n2cc(C(=O)c3cc(Cl)ccc3O)cn2)s1,CID2415234,,,,,0.0,,,,,,0.0,,,,,,0.0
Cc1ccc2cc(CCNC(=O)C3CCCC3)c(=O)[nH]c2c1,CID4347383,,0.0,0.0,,0.0,,,,,,,,0.0,,,,
COc1ccc2cc(CCNC(=O)C3CCCC3)c(=O)[nH]c2c1,CID3251239,0.0,,0.0,,0.0,,,0.0,,,,,,,,,
CCn1c(SCc2nc(=O)c3ccccc3[nH]2)nc2ccccc2c1=O,CID1071919,,,,,,,,,0.0,,,,,,,0.0,
COCCCn1c(SCc2nc(=O)c3ccccc3[nH]2)nc2ccccc2c1=O,CID3181436,,,,,,,,,0.0,,,,,,,,
Cc1ccc(OCC(=O)n2cnnc2N)c(C)c1,CID2940581,,0.0,,0.0,,,,0.0,0.0,,,,,,,,
Cc1cccc(OCC(=O)n2cnnc2N)c1,CID879441,,,,,,0.0,,,,,,,,,,,
CCOC(=O)N1CCC2(CC1)C(C#N)=C(N)Oc1n[nH]c(CSc3ccc(C)cc3)c12,CID654901,,,,0.0,0.0,,,0.0,,,,,,,,,
CC(=O)N1CCC2(CC1)C(C#N)=C(N)Oc1n[nH]c(CSc3ccc(C)cc3)c12,CID660127,,,,,0.0,,,0.0,,0.0,,,,,,0.0,
CCN(CC)C(=O)CSc1nc2ccccc2n1CC(=O)N1CCN(c2ccccc2OC)CC1,CID3229847,,,,,,,,,,,0.0,,,,,,
CCOC(=O)CSc1nc2ccccc2n1CC(=O)N1CCN(c2ccccc2)CC1,CID655826,,,0.0,,,,,,,,,,,,,,0.0
O=C(O)c1ccc(C(=O)Nc2cccc(NC(=O)C3CCCO3)c2)cc1,CID2977233,,,,,,,,,,,,,,0.0,,,
O=C(O)c1cccc(C(=O)Nc2cccc(NC(=O)C3CCCO3)c2)c1,CID2976511,,,0.0,,,,0.0,,,,,,,,,,
Cc1ccc(OCC(=O)OCCN2C(=O)c3ccccc3C2=O)cc1C,CID1186687,,,,,,,,,,,,,,,0.0,,
COc1ccc(OCC(=O)OCCN2C(=O)c3ccccc3C2=O)cc1,CID1186683,,,,,,,0.0,0.0,,0.0,,,,,0.0,0.0,
CN(C)c1ccc(C=C2C(=O)OC3(CCCC3)OC2=O)cc1,CID765996,,,,,,,,,,,,,,0.0,0.0,,
CCN(CC)c1ccc(C=C2C(=O)OC3(CCCC3)OC2=O)cc1,CID765993,,,,,,,,,,,,,,,0.0,,
C/C(=C\C(=O)c1ccncc1)Nc1ccccc1O,CID5310870,,,,,,0.0,,0.0,,,0.0,,,,,,
CC/C(=C\C(=O)c1ccncc1)Nc1ccc(O)cc1,CID5310643,,,,,,,,,,,,,,,,,0.0
O=C1C(=C\NO)/C(=N/c2ccccc2)N=C2C=CC=CN12,CID5310876,,,,,,,,0.0,,,,,,,,,
CC1=CN2C(=O)C(=C\NO)/C(=N/c3ccccc3)N=C2C=C1,CID5310335,,,,,,,,,,,,0.0,,,,,
Cc1cccc(Sc2c([N+](=O)[O-])ncn2C)n1,CID1214497,,,,,,0.0,,,,,,,,,,,
Cn1cnc([N+](=O)[O-])c1Sc1ncccc1N,CID902029,,,,,,,,,,,,0.0,,,,,
O=C(c1ccc(Br)o1)N1CCN=C1SCc1cccnc1,CID4248782,0.0,,,,,,,,,,,,,,,,
O=C(c1ccco1)N1CCN=C1SCc1cccnc1,CID3241625,0.0,0.0,,0.0,0.0,,,,,,,,,,,,0.0
O=S(=O)(NCc1ccccc1)c1cccc2cccnc12,CID3776856,,,,,,,,,,,0.0,,,,,,
CN(Cc1ccccc1)S(=O)(=O)c1cccc2cccnc12,CID866307,,,,,,,,,0.0,,,0.0,,0.0,,,
CC1CCCCN1S(=O)(=O)c1ccc(NC(=O)CSc2nnnn2C)cc1,CID653291,,,,0.0,,,,,,,,,,,,0.0,0.0
CC1CCN(S(=O)(=O)c2ccc(NC(=O)CSc3nnnn3C)cc2)CC1,CID654320,,0.0,,0.0,,,0.0,,,,,0.0,,,,0.0,
COCCCn1c(SCC(=O)OC2CCCCC2)nnc1-c1ccco1,CID653294,,,,,,0.0,,,,,0.0,,,0.0,,,
Cn1c(SCC(=O)OC2CCCCC2)nnc1-c1ccco1,CID855760,,,,,,,,,0.0,,,,,0.0,,,
Cc1ccc(-n2c(SCC(=O)NC3CCCCC3)nc3c(c2=O)SCC3)cc1,CID2155193,0.0,0.0,,,0.0,,,,0.0,0.0,,,,,,,
COc1ccccc1-n1c(SCC(=O)NC2CCCCC2)nc2c(c1=O)SCC2,CID2155260,,,0.0,,0.0,0.0,,,0.0,0.0,,,0.0,,0.0,,
OC(C#CCN1CCCC1)c1ccccc1,CID2851843,,,,0.0,,,0.0,,,0.0,0.0,0.0,,,,,
CC(O)(C#CCN1CCCC1)c1ccccc1,CID2849492,,,,,,0.0,0.0,,,0.0,0.0,,,,,,
CC1=NN(c2nc(C)cc(C)n2)C(=O)C1CCC(C)C,CID4886601,,,,,,,,,,,0.0,,,,,,
Cc1cc(C)nc(N2N=C(C(C)(C)C)CC2=O)n1,CID2984810,,,,,,,,,,0.0,0.0,0.0,,,0.0,,
Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=N/O,CID2393479,,,,,,,,,,,,0.0,,,0.0,,
Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=O,CID2387934,,,,,,,,,,,,,,,0.0,,
N#Cc1cc2c(nc1SCC(=O)Nc1cc(Cl)cc(Cl)c1)C1CCN2CC1,CID1006302,,,,,,,,,,,0.0,,,,,,
N#Cc1cc2c(nc1SCC(=O)Nc1ccc(Cl)cc1)C1CCN2CC1,CID666682,0.0,0.0,,,0.0,,,,,,0.0,0.0,0.0,0.0,,,0.0
COC(=O)c1cccc(Oc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1,CID1293245,,,0.0,,,,,,,,0.0,,0.0,,,,
N#Cc1ccc(Oc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1,CID1086559,,,,,,,,,,,,,,0.0,,,
CCCC1=C(C(=O)OCC)C(/C=C/c2ccccc2)N2NC=NC2=N1,CID5741631,,,,,,0.0,,,,,,,,,,,
CCOC(=O)C1=C(C)N=C2N=CNN2C1/C=C/c1ccccc1,CID5711540,,,,,,,,,,,0.0,,,,,,
CCOC(=O)c1ccc(NC(=O)CSc2nc(NC(=O)c3ccccc3)c3c(C)c(C)oc3n2)cc1,CID1542038,,,,,,,,,0.0,,,,,,,,
COC(=O)c1ccccc1NC(=O)CSc1nc(NC(=O)c2ccccc2)c2c(C)c(C)oc2n1,CID1257632,,,,,0.0,,0.0,,0.0,,,,,,,,
O=C(Nc1ccccc1)N1CCSCC1,CID831798,,0.0,,,0.0,0.0,,,,,,,0.0,,,,
O=C(Nc1ccc(Cl)cc1)N1CCSCC1,CID757063,,0.0,,,,,,,,0.0,0.0,,0.0,0.0,,,
CCCc1nc(NCc2ccc3c(c2)OCO3)c2nnn(Cc3ccccc3Cl)c2n1,CID3224380,,,,,,,,,,,0.0,,,,,,
Cc1nc(NCc2ccc3c(c2)OCO3)c2nnn(Cc3ccccc3)c2n1,CID650840,,0.0,0.0,,,0.0,,,,0.0,,,,,0.0,,
COc1ccc(-c2nnc(SCC(=O)NC(C)C)n2CC2CCCO2)cc1OC,CID646266,,,,,,0.0,,,,,0.0,,0.0,,,,0.0
CC(C)OC(=O)CSc1nnc(-c2ccccc2)n1CC1CCCO1,CID646095,,,,,,,,,,,,,0.0,0.0,,0.0,
O=C(CN1CCCCC1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1,CID646265,0.0,,,,0.0,,,0.0,,,,,,,,,
CC1CCCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)C1,CID652694,,,,0.0,0.0,,,0.0,,,0.0,,,,,,
Cc1nn(-c2ccccc2)c(Cl)c1C1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21,CID646261,0.0,,,,0.0,,,,,,,,,,,0.0,
Cc1ccc(-n2nc(C)c(C3C(C#N)=C(N)Oc4c3c(=O)oc3ccccc43)c2Cl)cc1,CID4366104,,,,,,,,,,,,,,,0.0,,
Cc1ccc2nsnc2c1S(=O)(=O)NCc1ccc2c(c1)OCO2,CID1080538,0.0,0.0,,0.0,0.0,,,,,0.0,0.0,,0.0,0.0,,,
O=S(=O)(NCc1ccc2c(c1)OCO2)c1cccc2nsnc12,CID969762,0.0,0.0,,,0.0,,,,,,,,,,,0.0,
O=C(NC(=S)Nc1ccccc1N1CCOCC1)c1cccs1,CID898831,,,,,,,,,,,,,,0.0,0.0,,
O=C(NC(=S)Nc1cccc(Cl)c1N1CCOCC1)c1cccs1,CID1254646,,,,,,,,,,,,,,0.0,,,
Cc1ccc2cccc(NC(=S)NC(=O)c3c(Br)cnn3C)c2n1,CID1028072,,,,,,,,,0.0,,,,,0.0,,,
Cc1ccc2cccc(NC(=S)NC(=O)c3ccnn3C)c2n1,CID778905,,,,,,,,,,0.0,,,,,0.0,,
COc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCc3ccco3)o2)cc1,CID5307390,,,,0.0,,,,,,,0.0,,,,,0.0,
O=C(NCc1ccco1)c1ccc(CS(=O)(=O)c2cccc(C(F)(F)F)c2)o1,CID3245423,,,,,0.0,,,0.0,,,,,,,,,
CCOC(=O)N1CCN(C(=O)C2CCCN(c3nc4ccc(OCC)cc4s3)C2)CC1,CID5307392,0.0,,,,,,,,,,,,0.0,,,,
CCOc1ccc2nc(N3CCCC(C(=O)N4CCN(CC)CC4)C3)sc2c1,CID5308287,0.0,,,,,,0.0,0.0,,,,,,,,0.0,0.0
O=C(CCOc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1,CID2114364,0.0,,,0.0,0.0,,0.0,0.0,,0.0,,,0.0,,,,
Cc1cccc(OCCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1,CID2115924,0.0,,,0.0,0.0,0.0,,,,,,,,,,,
CC(=O)Nc1nc2c(c3c1c(=O)oc1ccccc13)CC(C)CC2,CID3243476,,,0.0,,,,,,,0.0,,,,,0.0,,
CC(=O)Nc1nc2c(c3c1c(=O)oc1ccccc13)CCCC2,CID628038,,,0.0,,,,,,,,,0.0,0.0,,,,
CCc1ccc(S(=O)(=O)NCc2csc(-c3ccccc3)n2)s1,CID3243477,,,,,0.0,,,,0.0,,,,,,,,
O=S(=O)(NCc1csc(-c2ccccc2)n1)c1ccc(Cl)s1,CID5310037,,,,,,,0.0,,,,,,,,,,
CC1(C)C=Cc2c(c3ccccc3[nH]c2=O)O1,CID68230,,,,,,0.0,0.0,,,,,,,,,0.0,
COc1ccc2[nH]c(=O)c3c(c2c1)OC(C)(C)C=C3,CID648601,,,,,,,0.0,,,0.0,,,0.0,,,0.0,
COc1ccc(-n2nc3c(c2NC(=O)c2cc4ccccc4oc2=O)CS(=O)(=O)C3)cc1,CID3241832,,,,,0.0,,,,,,0.0,,,,,0.0,
Cc1ccccc1-n1nc2c(c1NC(=O)c1cc3ccccc3oc1=O)CS(=O)(=O)C2,CID3239166,,,,,0.0,,0.0,,0.0,0.0,0.0,,,,,0.0,0.0
CC(Sc1nnnn1C)C(=O)Nc1ccccc1-c1ccccc1,CID2998653,0.0,,,,0.0,,0.0,,,,,,,,,0.0,
Cn1nnnc1SCC(=O)Nc1ccccc1-c1ccccc1,CID949151,,,0.0,0.0,0.0,,0.0,,,0.0,,0.0,,,,0.0,
COc1ccc(Cl)cc1C(=O)NCC(c1ccco1)N1CCCC1,CID2998655,,,0.0,,,,0.0,,,,,,,,,,1.0
N#Cc1ccc(C(=O)NCC(c2ccco2)N2CCCC2)cc1,CID4877824,,,,,,0.0,,,,0.0,,,,,,,
Cc1nnc(SCC(=O)N2CCc3ccccc32)n1-c1ccccc1,CID2202985,0.0,0.0,,,,,0.0,0.0,,,,,,,,0.0,
Nc1nnc(SCC(=O)N2CCc3ccccc32)n1-c1ccccc1,CID2202972,,,,0.0,,,,,,,,,,0.0,,0.0,
CC1CCN(C(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)CC1,CID2999302,,0.0,,,,,,0.0,0.0,,,,,,,,0.0
CCOC(=O)C1CCN(C(=O)CCc2nc3ccccc3[nH]2)CC1,CID3240762,,0.0,0.0,0.0,0.0,,,,,,,,,,0.0,,
Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)Nc1ccc2c(c1)OCO2,CID2108713,,,,,,,,,0.0,,,,0.0,,0.0,,
Cc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)Nc1ccc2c(c1)OCO2,CID2083749,,0.0,,0.0,,,,,,,,,0.0,,,0.0,
CCn1c(=O)c2cc(C(=O)N3CCN(C)CC3)sc2c2ccccc21,CID9550465,,,,,,,,,0.0,,,0.0,,,,,
CCOC(=O)N1CCN(C(=O)c2cc3c(=O)[nH]c4ccccc4c3s2)CC1,CID3237154,,,,,,,,0.0,,,,,0.0,,,0.0,
Cc1ccc(-n2nc(C)c3c(C)c(CCC(=O)NC(C)c4ccccc4)c(C)nc32)cc1,CID9550466,,,,,,,,,,,0.0,,,,,,
Cc1ccc(-n2nc(C)c3c(C)c(CCC(=O)NCc4ccccc4)c(C)nc32)cc1,CID9551280,,,,,,,,,,0.0,,,,,,,
CC(CCc1ccccc1)NC(=O)c1nnc(Cc2ccc(Cl)cc2)o1,CID9550460,,,,,,,,,,,,0.0,,,,,
CC(CCc1ccccc1)NC(=O)c1nnc(Cc2ccc(F)cc2)o1,CID5307743,,,,,,,,0.0,,,,,,,,,
COc1ccc(CC(=O)NNC(=O)c2ccoc2C)cc1OC,CID846330,,,,,,,,,,,,0.0,,,,,
Cc1occc1C(=O)NNC(=O)Cc1ccccc1,CID833135,,,,,,,,,,,,0.0,,,,,
Cc1occc1C(=O)N1CCCc2ccccc21,CID681611,,,,0.0,,,0.0,0.0,,0.0,,,,,0.0,0.0,
Cc1ccc2c(c1)CCCN2C(=O)c1ccoc1C,CID1245713,,,,,,,,,0.0,,,,0.0,,,0.0,
COc1ccccc1N1CCN(C(=O)C2C3C=CC4(CN(Cc5ccccc5Cl)C(=O)C24)O3)CC1,CID3236364,,,,,,,0.0,,,0.0,,,0.0,,,,
COc1cccc(N2CCN(C(=O)C3C4C=CC5(CN(Cc6ccccc6Cl)C(=O)C35)O4)CC2)c1,CID3236921,,,,,,,,,,,,,,,,0.0,
O=C1CC(N2CCCc3ccccc32)C(=O)N1c1ccccc1,CID594337,,,,,,,,0.0,,0.0,,,,,,,
O=C1CC(N2CCCc3ccccc32)C(=O)N1c1ccccc1Cl,CID3097314,,,,,,,,,,,,0.0,,,,,
CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2n[nH]c(=S)n2Cc2ccccc2)cc1,CID3241295,,0.0,,,0.0,0.0,,,,,,,,,,,
O=C(NCc1n[nH]c(=S)n1Cc1ccccc1)c1ccccc1,CID4638621,,,,,,,,,,,,,,0.0,,,
CCCCCNC(=O)c1ccc2c(=O)n(CC3CCCO3)c(=O)[nH]c2c1,CID3241299,,,,,0.0,,,,,,,,0.0,,,0.0,
CC(C)(C)C(=O)Cn1c(=O)n(CC2CCCO2)c(=O)c2ccccc21,CID3241811,,,0.0,,,,,0.0,,0.0,,,,0.0,,,
COc1cc(C2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)cc2c1OCO2,CID659038,0.0,,,,,,,,0.0,,,,,,,,0.0
COc1cc(C2C(C#N)=C(N)Oc3cc(O)ccc32)cc2c1OCO2,CID2837578,0.0,,0.0,,0.0,,,,,,,,,,,,
CCCCCCc1cc2cc(C(=O)NC)c(N)oc-2cc1=O,CID658928,0.0,,,,,,0.0,,,,,,,,,,
CCCCCCc1cc2cc(C(N)=O)c(N)oc-2cc1=O,CID1714860,,,,,,,,,,0.0,0.0,,,,,,
CN1C(=O)NC(c2ccccc2)C2=C1CN(c1cccc(C(F)(F)F)c1)C2=O,CID658929,0.0,,0.0,,0.0,,,,,,,,,,,0.0,0.0
Cc1cccc(N2CC3=C(C2=O)C(c2ccccc2)NC(=O)N3C)c1,CID658580,0.0,0.0,0.0,,0.0,,,,,,,,,,,,
N#Cc1c(NC(=O)c2ccc(Br)o2)n(-c2ccccc2)c2nc3ccccc3nc12,CID658921,0.0,,,,,,,,0.0,,,,,,,0.0,0.0
COc1ccc(-n2c(NC(=O)c3ccco3)c(C#N)c3nc4ccccc4nc32)cc1,CID658939,0.0,,0.0,,,,,0.0,,,,,0.0,,,,
COCCNC(=O)C(c1ccc(C)cc1)N(C(=O)CCC(=O)Nc1ccccn1)C1CCCC1,CID652237,,0.0,,,,,0.0,,,,0.0,0.0,,,,,0.0
COCCNC(=O)C(c1ccc(Cl)cc1)N(C(=O)CCC(=O)Nc1ccccn1)C1CCCC1,CID655371,,,0.0,,,,,,,,,,0.0,,0.0,,
O=C(NCCCN1CCCC1=O)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1,CID2334154,,,,,,,,,0.0,,,,,,,,
O=C(NCCCN1CCCC1=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1,CID2336955,,,,,,,0.0,,,,,,0.0,0.0,,,
Cc1nc(SCC(=O)NC(C)c2ccccc2)c2oc3ccccc3c2n1,CID4593196,,,,,,,,,,,,,,0.0,,,
O=C(CSc1ncnc2c1oc1ccccc12)NCc1ccc(F)cc1,CID2158327,,0.0,0.0,,0.0,,0.0,,,,,,,,,,0.0
CCCCOC1(c2ccccc2)NC(=S)NN=C1c1ccccc1,CID3837385,,,,,,0.0,,,,,,,,,,,
COC1(c2ccccc2)NC(=S)NN=C1c1ccccc1,CID2905262,,,,,,,,,,,0.0,,,,,,
COc1ccc(NC(=O)CSc2nnc(C3CCCCC3)o2)c(OC)c1,CID1374219,,,,,,0.0,,,,,,,,,,,
COc1ccccc1NC(=O)CSc1nnc(C2CCCCC2)o1,CID654279,0.0,,0.0,,0.0,0.0,0.0,,,0.0,0.0,,0.0,,,0.0,0.0
Brc1ccc(-c2nnc3n2CCCCC3)cc1,CID745476,,,,,,,,,0.0,,0.0,0.0,,,,,
Brc1cccc(-c2nnc3n2CCCCC3)c1,CID658120,0.0,,,,,,,,,,,0.0,,,,0.0,0.0
O=C(c1cnc2sccn2c1=O)N1CCCc2ccccc21,CID4188760,,0.0,,,,,0.0,0.0,,,,,,,,,
CC1CCc2cc(F)ccc2N1C(=O)c1cnc2sccn2c1=O,CID4159365,,,,,,,,,,,0.0,,,,,,
O=C(c1cccs1)N1CCC2(O)CCCCC2C1c1ccc(F)cc1,CID3945398,,,,,,,,,,,,,,,0.0,,
CCN(CC)c1ccc(C2C3CCCCC3(O)CCN2C(=O)c2cccs2)cc1,CID3895472,,,,,,,,,,,,,,,0.0,,
O=C(CCn1c(=O)oc2ccccc21)N1CCOCC1,CID767651,,0.0,,,,,,,,,,,,,,,
CC1CN(C(=O)CCn2c(=O)oc3ccccc32)CC(C)O1,CID3245160,,0.0,,0.0,,,,0.0,,,0.0,,,,,,
Cc1ccc(S(=O)(=O)NC2=NC3=NC(=O)CC(c4ccc(Cl)cc4)N3N2)cc1,CID6095087,,,,,,,,,,,,0.0,,,,,
O=C1CC(c2ccccc2)N2NC(NS(=O)(=O)c3ccccc3)=NC2=N1,CID5389263,,,,,,,0.0,,,,0.0,,,,,,
CC(C)N1CCC2(CC1)NC(CO)(CO)CO2,CID756973,,,,,0.0,,,,,,,,0.0,,,,
CCCN1CCC2(CC1)NC(CO)(CO)CO2,CID3244788,,,,,0.0,,,,,,,,,,,,
CC(C)(C)C1CCC2(CC1)NC(CO)(CO)CO2,CID756979,,,,,0.0,,,0.0,,,,,,,,,
CCC1CCC2(CC1)NC(CO)(CO)CO2,CID650043,,,,0.0,0.0,,0.0,,,,,,,,,,0.0
CCOC(=O)c1nn(-c2c(C)n(C)n(-c3ccccc3)c2=O)cc1O,CID706004,,0.0,0.0,0.0,,0.0,,0.0,,,,0.0,,,,,
COC(=O)c1nn(-c2c(C)n(C)n(-c3ccccc3)c2=O)cc1O,CID730293,,,0.0,,,,,,,,,0.0,,,0.0,,
CCOC(=O)CC(=O)CSc1nc(-c2cccnc2)ccc1C#N,CID1850575,,,,,,,,0.0,,,,,0.0,,,,
CCOC(=O)CC(=O)CSc1nc(-c2cccnc2)cc(C)c1C#N,CID3239112,,,,,,,,,,,0.0,,0.0,,,,
CCC1CCCCN1CCCNC(=O)CNC(=O)Cn1ccc2ccccc2c1=O,CID3245855,,,,,,,0.0,,,,,,0.0,,,0.0,
CC1CC(C)CN(CCCNC(=O)CNC(=O)Cn2ccc3ccccc3c2=O)C1,CID3236207,,,,,,,,,0.0,,,,,,,0.0,0.0
CCc1nnc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)s1,CID2210290,0.0,,,,0.0,,0.0,,,,,,,,,0.0,
CCc1nnc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)s1,CID1309961,0.0,0.0,0.0,,0.0,,0.0,,,,,,0.0,,,,0.0
Cn1c(=O)c2c(nc(N3CCc4ccccc4C3)n2Cc2ccccc2F)n(C)c1=O,CID989634,,,0.0,,,,0.0,,,,0.0,,,,,,
Cn1c(=O)c2c(nc(N3CCc4ccccc4C3)n2Cc2ccc(Br)cc2)n(C)c1=O,CID1259502,0.0,,,,,,,,0.0,,0.0,,,,,0.0,
CC1(C)C(=O)Nc2ccccc2N1C(=O)CSc1nc(-c2ccccc2)cs1,CID2550860,,,,,,,,,,,,,,0.0,0.0,,
O=C1CN(C(=O)CSc2nc(-c3ccccc3)cs2)c2ccccc2N1,CID2448859,,,,,,,,,,,,,,,0.0,,
CCOC(=O)C(C)Oc1cccc2c(=O)n(CC(=O)Nc3ccc4c(c3)OCCO4)ccc12,CID4076092,,,,,,,,,,,,0.0,,,,0.0,
Cc1cc2ccccc2c(=O)n1CC(=O)Nc1ccc2c(c1)OCCO2,CID3235984,,,,0.0,,0.0,0.0,,0.0,,0.0,0.0,,,,0.0,0.0
Fc1cccc(Cl)c1-c1nnc2ccc(N3CCOCC3)nn12,CID715325,,0.0,0.0,,,,0.0,,,,,,,,,,
Clc1cccc(Cl)c1-c1nnc2ccc(N3CCOCC3)nn12,CID1283104,,,0.0,,,,,,,,,0.0,,,,,
COc1ccc(OCC(=O)Nc2nnc(-c3ccco3)s2)cc1,CID1867755,,,,,,,,,,,,,,0.0,,,
COc1ccccc1OCC(=O)Nc1nnc(-c2ccco2)s1,CID659827,0.0,,,0.0,0.0,,,,,,,,,,,0.0,0.0
CC(=O)N(Cc1cccnc1)Cc1cc2ccc(C)cc2[nH]c1=O,CID666675,,0.0,0.0,,0.0,0.0,,,0.0,,,,0.0,,,,
CC(=O)N(Cc1cccnc1)Cc1cc2ccccc2[nH]c1=O,CID666692,,0.0,,,0.0,0.0,,,0.0,,,,0.0,,,,
N#CC1=C2SCN(Cc3ccco3)CN2C(=O)CC1c1cccc2ccccc12,CID666673,0.0,,,,,0.0,,,,,,,,,,,0.0
COc1ccc2ccccc2c1C1CC(=O)N2CN(Cc3ccco3)CSC2=C1C#N,CID4894947,0.0,,,0.0,0.0,,,,,,,,,,,,
CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(=O)CC2c1ccsc1,CID3658297,,,,,,0.0,,,,,0.0,,,,,,
O=C1CCCC2=C1C(c1ccsc1)CC(=O)N2c1ccccc1,CID3236214,0.0,,,,,,,0.0,,0.0,,,,,,,
Cc1cc(=O)n2nc(N3CCCC3C(=O)NCCCN3CC(C)CC(C)C3)sc2n1,CID3245274,,,0.0,0.0,,,,,,,,,,,,0.0,
Cc1cc(=O)n2nc(N3CCCC3C(=O)NCCCN3CCCCC3)sc2n1,CID3244045,,,,0.0,,,,0.0,,,0.0,,0.0,,,0.0,
CCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)N(Cc2ccc(C)cc2)CCS3)CC1,CID6619966,,,,,,,,,,,,0.0,,,,,
CCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)N(Cc2ccccc2)CCS3)CC1,CID9550949,,,,,,0.0,,,,,,,,,,,
COc1ccc2c(c1)C1CC(C)(NC(=O)C1C(=O)c1ccccc1)O2,CID3238731,,,,,,,,,,0.0,,,,,,,
COc1ccc2c(c1)OC1(C)CC2C(C(=O)c2ccccc2OC)C(=O)N1,CID4096282,,,,,,,0.0,0.0,,,,,,,,,
CCn1c2ccccc2c2cc(NC(=O)C(C)Oc3ccccc3)ccc21,CID3579545,,,,,,,,,,,,0.0,,,,,
CCn1c2ccccc2c2cc(NC(=O)C(C)Oc3ccc(OC)cc3)ccc21,CID2951670,,,,,,,,,,,,0.0,,,,,
CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2c3c(nn2C(C)(C)C)CS(=O)(=O)C3)cc1,CID3240427,,,,,0.0,,,,,,,,,,,0.0,
Cc1ccc(C(=O)Nc2c3c(nn2C(C)(C)C)CS(=O)(=O)C3)cc1C,CID3239738,,0.0,0.0,,,,,,,,,,,,,,
CCOc1ccccc1OCCCCCc1c(C)n[nH]c1C,CID3240425,,,,,0.0,0.0,,0.0,,,,,,,,,
COc1ccccc1OCCCCCc1c(C)n[nH]c1C,CID2232433,0.0,,,0.0,0.0,,,,,,,0.0,,0.0,,0.0,
N#Cc1c(-c2ccccc2)nc(-c2ccccc2)nc1N1CCOCC1,CID1480495,,,,,,,,,,,0.0,,,,,,
c1ccc(-c2cc(N3CCOCC3)nc(-c3ccccc3)n2)cc1,CID656281,0.0,0.0,,0.0,,,,,,,,,,,,,
CC1=CC(=O)/C(=C(\C)NNC(=O)c2ccccc2[N+](=O)[O-])C(=O)O1,CID5410778,,,,,,,,,,,,,,,0.0,,
CC1=CC(=O)/C(=C(\C)NNC(=O)c2cccc(C)c2)C(=O)O1,CID9549094,,,,,,,,,,,,,,0.0,,,
O=c1c2ccccc2ncn1CCCOc1ccccc1[N+](=O)[O-],CID2216436,,,,,,0.0,,,,,,,,0.0,,,
Cc1cc(OCCCn2cnc3ccccc3c2=O)ccc1[N+](=O)[O-],CID2296855,,,,,,,,,,,,,,0.0,,,
O/N=C1C(=C\c2ccccc2)/N2CCC/1CC2,CID780389,0.0,,,0.0,,0.0,0.0,0.0,,,,0.0,,,,0.0,
COc1ccccc1/C=C1C(=N/O)/C2CCN/1CC2,CID829059,,,,,,,,,,0.0,,,,,,,
COc1ccc(OCc2nn3c(-c4ccccn4)nnc3s2)cc1,CID665713,0.0,0.0,,,0.0,,,0.0,,,,,,,,0.0,
c1ccc(OCc2nn3c(-c4ccccn4)nnc3s2)cc1,CID662259,,,,,0.0,,,,,,0.0,,,0.0,,,
O=C(NCCc1ccccc1F)C1CSC2c3ccccc3C(=O)N12,CID665712,,0.0,,,,,0.0,,,,,,,,,,0.0
O=C(NCCc1cccc(F)c1)C1CSC2c3ccccc3C(=O)N12,CID665627,,,,,,,0.0,,,,,,,,,,0.0
Cc1cc(C)c(NC(=O)CS(=O)CC(=O)N2CCN(c3ccccc3)CC2)c(C)c1,CID655763,,,,,,0.0,,,,,0.0,0.0,,,,,
Cc1cc(C)c(NC(=O)CS(=O)CC(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)c1,CID652925,,,,0.0,,,,0.0,,,,,0.0,,,,
CC1=C(C#N)C(=O)NC(=O)/C1=C\c1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1,CID1120458,,,,,,,,,,,,,,,0.0,,
CC1=C(C#N)C(=O)NC(=O)/C1=C\c1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1,CID5884223,,,,,,,,,,,,,,0.0,,,
COc1ccc(CN(C(=O)CN2C(=O)COc3ccccc32)C2CCCC2)c(OC)c1,CID648336,,,,,0.0,,,,,,,,,,,,
COc1ccc(CN(C(=O)CN2C(=O)C(C)Oc3ccccc32)C2CCCC2)c(OC)c1,CID648111,,,,,0.0,,,0.0,,,,,,,,,
CCCCn1c(SCc2cccnc2)nc2c1c(=O)n(C)c(=O)n2C,CID648330,,,,,0.0,,,,,,,,0.0,,,,
CCn1c(SCc2cccnc2)nc2c1c(=O)n(C)c(=O)n2C,CID653556,,,,0.0,,,,0.0,,,,,,,,,0.0
CCn1cc(S(=O)(=O)c2ccc(C)cc2)n(Cc2ccc(C(C)(C)C)cc2)c1=O,CID1482658,,,,,,,,,,,0.0,,,,,,
CCn1cc(S(=O)(=O)c2ccc(C)cc2)n(Cc2ccccc2C)c1=O,CID1489251,,,,,,,,,,0.0,,,,0.0,,,
CCc1ccc(/C=N/NC(=O)c2ccc(Br)o2)s1,CID840475,,,,,,,,,,,,,,0.0,,,
Cc1ccc(/C=N/NC(=O)c2ccc(Br)o2)s1,CID839908,,,,,,,,,,,,,,0.0,,,
Cn1c(NCCCO)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2,CID650809,,,,,,,,0.0,0.0,,,,,,,,
Cn1c(NCCO)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2,CID1824787,,,0.0,,,0.0,,,,,,,,,,,
CCOC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCC(=O)N3)CC1,CID3240390,,,,0.0,,,,0.0,,,,,,,,,0.0
CCOC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)CC1,CID3244672,,,,,,,,0.0,,,,,0.0,,,,
CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c3ccccc3ccn2c1C(N)=O,CID1101214,,,0.0,,0.0,,0.0,,,0.0,,,,,,0.0,
CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c3ccccc3ccn2c1C(=O)OC,CID1068376,,,,,,,,,,,,0.0,,,,,
O=C(Cc1cc(=O)oc2cc(O)ccc12)NCC1CCC(C(=O)O)CC1,CID5390001,,,0.0,,,,,,,,,,,,,,
COc1ccc2c(CC(=O)NCC3CCC(C(=O)O)CC3)cc(=O)oc2c1,CID1954694,,,,,,0.0,,,,,,,,,,,
COc1ccccc1Nc1nc2c(s1)CCC2,CID647482,,,0.0,,,0.0,0.0,0.0,,,,,0.0,,,,
Cc1ccc(Nc2nc3c(s2)CCC3)c(C)c1,CID777511,,,,,,,,,,0.0,,,,,,,
O=C(NCc1ccco1)c1csc(Nc2ccccc2Cl)n1,CID647485,0.0,,0.0,0.0,0.0,,,,0.0,,,0.0,0.0,,,,0.0
Cc1ccc(Nc2nc(C(=O)NCc3ccco3)cs2)cc1,CID649469,0.0,0.0,,,0.0,0.0,,,,,,,,,0.0,,
CCc1cccc2c1NC(=O)C21C2C(=O)N(Cc3ccccc3)C(=O)C2C2CCCN21,CID5390007,,,0.0,0.0,,,,0.0,,,0.0,,0.0,,,0.0,
CCc1ccc2c(c1)C1(C(=O)N2)C2C(=O)N(Cc3ccccc3)C(=O)C2C2CCCN21,CID5390059,,,,,,,,,,0.0,,,,,0.0,,
Cc1cc(=O)oc2cc(OCC(=O)c3ccc4c(c3)NC(=O)CO4)ccc12,CID2446949,,,,,,,,,,,,,,,0.0,,
COc1cc(NCCCCCN2C(=O)c3ccccc3C2=O)c2ncccc2c1,CID414138,,,,,,,,0.0,,,,,,,,,
CCOc1cc(S(=O)(=O)N2CCC(c3nc4ccccc4s3)CC2)c(OCC)cc1S(=O)(=O)N1CCCCC1,CID3223514,,,,,,,,,,,,,,0.0,,,
COc1cccc(N(C(=O)Cn2nnc(-c3ccc(C)cc3)n2)C(C(=O)NC(C)(C)C)c2c[nH]c3ccccc23)c1,CID3190114,,,,,,,,,,,,0.0,,,,,
O=S(=O)(NCC(c1cccnc1)N1CCOCC1)c1cccs1,CID3239525,,,,,0.0,,,,0.0,0.0,0.0,,,,,,
O=C(CCn1cccc1)Nc1nccs1,CID3239524,,0.0,0.0,0.0,,,,,,0.0,,,,,,,
CCOC(=O)N1CCC(NC(=O)Cn2cc3c(n2)CCC(C)C3)CC1,CID3239522,,,,,0.0,,,,,,,,,,,,
O=C(NCc1cccnc1)c1cccc2c1C(=O)N(Cc1cccnc1)C2,CID6619578,,,,,,0.0,,,,,,,,,,,
O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CCC2)CC1,CID3239529,,,0.0,,,,,0.0,,,,,,,,,
Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C3CCCCC3)cc2)n1,CID708088,,,,,,,,,,,,,,0.0,0.0,,
Cc1cc(NC(=O)CN2C(=O)CC(c3ccco3)Sc3ccccc32)no1,CID5310310,,0.0,,0.0,,,,,,,,,,0.0,,,
Cc1csc2nc(CNS(=O)(=O)c3ccc4c(c3)CCCC4)cn12,CID5310319,,,,,,,0.0,,,,,,,,,,
CC1=C(C)C(=O)C(CCCCC#CCCCC#CCO)=C(C)C1=O,CID1967,,,,,,,,0.0,0.0,,,,0.0,,,,
O=C(NN=C1CCCCCCCCCCC1)c1ccncc1,CID687181,,,,,,,,,,,,,,0.0,,,
O=C(Oc1ccccc1)Oc1ccc2c(c1)oc(=O)c1ccccc12,CID692203,,,,,,,,,,,,0.0,,,0.0,,
Cc1occc1-c1nnc(SCC(=O)NCc2cccs2)n1CC1CCCO1,CID646993,0.0,,,0.0,0.0,,0.0,,,0.0,0.0,,,,,0.0,0.0
CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)o2)cc1,CID646995,,,,,0.0,,,,,,0.0,,0.0,,,0.0,0.0
O=C(NCC(=O)N(c1ccc2c(c1)OCO2)C(C(=O)NC1CCCC1)c1cccs1)c1ccco1,CID646997,,,,,0.0,0.0,,0.0,0.0,,0.0,,0.0,,,,
COC(=O)c1ccc(NC(=O)CSc2nncc3ccc(OC)c(OC)c23)cc1,CID6407070,,,,,,,,,,,,,,,0.0,,
CN(C)c1ccnc2sc3c(SCc4ccc(Cl)cc4)ncnc3c12,CID1069463,,,,,,,,,,,,,,0.0,,,
CCN1CCN(C(c2ccccn2)c2c(NC(=O)c3ccccc3)sc(C)c2C)CC1,CID4326203,,,,,,0.0,,,,,,,,,,,
COc1cc(-c2nnc(COC(=O)C3c4ccccc4Oc4ccccc43)o2)cc(OC)c1OC,CID2077923,,,0.0,,,,,,,,,,0.0,,,,
CC(=O)/N=C1\SC2CS(=O)(=O)CC2N1c1ccc(-c2nc3ccc(C)cc3s2)cc1,CID3787604,,,,,,,,,,,,,,,0.0,,
CC(C)OCC(O)CN1CCN(CC(O)COc2ccc3c(c2)OCO3)CC1,CID2937667,,,,,0.0,,,,,,,,,,,,
O=C(Cc1ccccc1)NC1CCN(C(=O)NCc2ccccc2)CC1,CID3218394,,,,,,,,,,,0.0,0.0,,,,,
O=C1C2C3C=CC(C3=C3CCCCC3)C2C(=O)N1c1ccccc1,CID659549,,,,,,,,,,0.0,,,,0.0,,,
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(C)cc3C)S(C)(=O)=O)c2C)cc1,CID1813457,,,,,,,,,,,,0.0,,,,,
Cc1ccc(C)c2[nH]c(=O)c(C(c3nnnn3C(C)(C)C)N3CC=C(c4ccc(F)cc4)CC3)cc12,CID3187508,,,,,,,,,,,,,,,0.0,,
O=C(Cn1c(=S)nc2ccccn21)N1CCc2ccccc2C1,CID977152,,0.0,,,,,0.0,0.0,,0.0,0.0,,0.0,,,,
COc1cccc(/C=C/C(=O)OCC(=O)c2c[nH]c3ccccc23)c1OC,CID2548916,,,,,,,,,,,,,,0.0,,,
c1ccc(N(c2ccccc2)c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1,CID1068732,,,,,,,,,,0.0,,,,,,,
Cc1noc(C)c1C(=O)N(CC(=O)NC1CCCC1)Cc1ccccc1F,CID3226877,,,,,,,,,,,,0.0,,,,,
O=C(NNc1cc(N2CCOCC2)nc(N2CCOCC2)n1)c1ccc(Cl)c(Cl)c1,CID1109406,,,,,,,,,,,,,,0.0,,,
Cc1cc(C(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)c(C)n1C,CID2553545,,0.0,,,0.0,,0.0,,,,,,0.0,,,,
Cn1c(=O)n(C)c(=O)n(CC(=O)N2CCCCC2)c1=O,CID671273,,,0.0,,,,0.0,0.0,,,,0.0,,,,,
CCOC(=O)C1CCN(S(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)CC1,CID1292093,,,,0.0,,0.0,,0.0,0.0,0.0,,,,,,0.0,
CC1=NN(c2ccccc2)C(=O)/C1=N/Nc1ccccc1C,CID5756344,,,,,,,,,,,,,,,0.0,,
O=c1c2cc3c(=O)n(-c4ccc(S)cc4)c(=O)c3cc2c(=O)n1-c1ccc(S)cc1,CID2263445,,,,,,0.0,,,,,,,,,,,
O=C(c1ccccc1)c1coc2c1C(=O)c1ccccc1C2=O,CID878619,,,,,,,,,,,,,,0.0,,,
O=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccc2c(c1)OCO2,CID602757,,,,0.0,,,,,0.0,,,0.0,,,,0.0,0.0
O=C(Nc1nc(-c2cccs2)cs1)c1cccc(S(=O)(=O)N2CCCCCC2)c1,CID2419979,,,,,0.0,,0.0,,0.0,,,,,,,0.0,
O=C(CCCc1ccccc1)Nc1cccnc1,CID836342,,,,,,,,,,0.0,,,,,,,
O=C(CCCc1ccccc1)NCc1cccnc1,CID836347,,,,0.0,0.0,0.0,,,,,,,,,,0.0,
Cc1ccccc1Nc1nc(N)nc(COC(=O)CCS(=O)(=O)c2ccccc2)n1,CID2538646,,0.0,,0.0,0.0,,,,,,,,,,,0.0,
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1,CID4439951,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccc2c(c1)OCO2)C1=CNN2C1=NC(c1ccco1)CC2C(F)(F)F,CID5347809,,,,,,,,,,,,,,,,,0.0
O=c1c2ccccc2nc(-c2ccco2)n1-c1nccs1,CID829492,,0.0,,,0.0,,,0.0,,,0.0,,,,,0.0,
COc1ccc(-c2nnc(SCC(=O)NNC(=O)c3ccc(C)cc3)o2)cc1,CID1133007,,,,,,,,,,,,,,,0.0,,
O=C(Cn1nnc2ccccc21)C1CC1,CID698837,,,0.0,0.0,,,,,,,0.0,,,,0.0,,
CC(=O)Nc1c(C(=O)N2CCOCC2)cnn1-c1ccc(C)c(C)c1,CID1299183,,,,,,0.0,,,,,,,,,,,
CC(NCCCN1CCOCC1)=C1C(=O)NC(=O)NC1=O,CID5389572,,,,,,,,,,,,,0.0,,,,
COc1ccc(C(=O)NCc2c(CC(C)C)oc(C)c2C(=O)O)cc1,CID974239,,,0.0,,,,0.0,0.0,,,,,,,0.0,,
CCOC(=O)Cc1csc(NC(=O)CSc2nnc(-n3nc(C)cc3C)c3ccccc23)n1,CID646149,,0.0,,,,0.0,0.0,,,,,,,,,0.0,
O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1,CID646143,,,0.0,,0.0,,,,,,,,0.0,,,,
O=C(Cn1c(=O)sc2ccccc21)Nc1nc2c(s1)CCCC2,CID646146,,,,,0.0,,,,0.0,0.0,,,,0.0,,,
CCNS(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccccn2)C2CCCCC2)cc1,CID646145,,,0.0,,0.0,,0.0,,,0.0,0.0,,,,,0.0,0.0
O=[N+]1C=C(c2ccc(Oc3ccccc3)cc2)N([O-])C2CCCCC21,CID2966106,,,,,,,,0.0,,0.0,,,,,,,
O=C(COc1ccccc1Cl)NNC(=O)C1CCCO1,CID2869404,,,,,,,,,,,,0.0,,,,,
COc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccccc4C)cc3n2)cc1,CID1139460,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-c2nc(N/N=C/c3cccc([N+](=O)[O-])c3)c3ccccc3n2)cc1,CID2847580,,,,,,,,,,,,0.0,,,,,
CC1(C(=O)O)C=CC(Cc2ccccc2)N1C(=O)c1ccccc1,CID5459690,,,,,,,,,,,,,,,0.0,,
COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)NCCCN4CCCC4=O)ccc3c2=O)cc1,CID3236288,,,,,,,0.0,,0.0,,0.0,,,,,,
O=S(=O)(NCc1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)N2CCOCC2)c1,CID656285,,,,,0.0,,0.0,,,,,,0.0,,,,
COc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccccc3)CC2)cc1,CID656284,0.0,0.0,0.0,,0.0,0.0,,,,,0.0,,,,,,0.0
CCc1nnc(NC(=O)CSc2nnc(C3CCCCC3)n2-c2ccccc2)s1,CID656287,,0.0,,0.0,,,,,,,,0.0,,,,,0.0
COc1cc(-c2nnc(-c3ccncc3)o2)ccc1OCc1ccccc1,CID656289,0.0,,0.0,0.0,,0.0,,,0.0,0.0,,,0.0,,,,
Cc1csc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1,CID2222346,,,,,,,,,,,,,,0.0,,,
CC12CN3CCN(CC(C3)C1(O)CN1CCCCC1)C2,CID566752,,,,,,,,0.0,,,,,,,,0.0,
CC1CN(c2nc3ccccc3nc2C(C#N)C(=O)NCc2ccc3c(c2)OCO3)CC(C)O1,CID659950,,,,,,,0.0,,,,,0.0,,,,,
COc1cccc(-n2nnc3c(=O)n(CC(=O)NC4CCCC4)cnc32)c1,CID3237732,,0.0,,,,,,0.0,,0.0,,,,,,,
COC(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCC(C)C2,CID2970970,,,,,,,0.0,,,,0.0,,,,,0.0,
CN(CCCn1c(=S)[nH]c2ncccc2c1=O)Cc1ccccc1,CID3245707,,,,,,,,0.0,,,,,,,0.0,,
COc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3cnc[nH]3)CC2)c1,CID3245708,,0.0,0.0,,,,,0.0,,,,,,,,0.0,
c1cc2c(cc1CCNC1C3CC4CC(C3)CC1C4)OCO2,CID738575,,,,,,,,,,,0.0,,,,,,
Cc1nn(C)cc1/C=N/NC(=O)c1sc2ccccc2c1Cl,CID842290,,,,,,0.0,,,,,,,,,,,
O=c1[nH]cnc2scc(C3COc4ccccc4O3)c12,CID2900563,,,0.0,0.0,0.0,,,,,,0.0,,,,,0.0,
Cc1cccc(C)c1NC(=O)C1(N(Cc2ccco2)C(=O)CC2NC(=O)NC2=O)CCCC1,CID9550587,,,,,,,,,,,0.0,,,,,,
O=c1cc(N2CCN(Cc3ccccc3)CC2)c(-c2ccccc2)n[nH]1,CID3286437,,,,,,,,,,,,,,0.0,,,
Cc1ccc(N(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)C(CC(C)C)C(=O)NCC2CCCO2)cc1,CID3180839,,,,,,,,,,,,,,0.0,,,
Cc1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1CC1CCCO1,CID651887,,0.0,,,,,,,,,,,0.0,,,0.0,
Cc1nonc1NC(=O)CN1CCCC1,CID746206,,,,,,0.0,,,,,,,,,,,
Cc1cc(=O)nc(/N=N/C(=N/Nc2ccccc2C)c2ccccc2)[nH]1,CID3432003,,,,,,,,,,0.0,,,,,,,
Cc1[nH]c2ccccc2c1/C=C(\C#N)C(=O)NC(C)c1ccccc1,CID5766359,,,,,,0.0,,,,,,,,,,,
O=C(CSCC(=O)OCn1nnc2ccccc2c1=O)Nc1ccc(Cl)cc1,CID2502130,0.0,,,0.0,0.0,,,,0.0,,,0.0,0.0,,,,0.0
O=C(Cc1coc2ccc3ccccc3c12)NCc1ccccc1,CID1243323,,,,,,,,,,,0.0,,,,,,
Cc1cc(C(=O)N2CCCC(C(=O)c3ccc4ccccc4c3)C2)n(C)n1,CID16192083,,,,,,,,,,,,,,0.0,,,
O=C(c1ccco1)N1CCN(CC(O)COc2ccc3oc4ccccc4c3c2)CC1,CID2998531,,,0.0,,,,,,0.0,0.0,,0.0,0.0,0.0,0.0,,
CC1(C)Cc2c(C#N)c(NC3CCCCC3)nc(-c3ccco3)c2CO1,CID1918453,0.0,,0.0,,,,,,0.0,,0.0,,0.0,,,,0.0
O=C1C2CC=C(Cl)CC2C(=O)N1CC1Cc2ccccc2CO1,CID2930337,,,,0.0,,,,,,0.0,,,,,,,0.0
O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccncc1,CID2671470,,,,,,,,,,,,,,0.0,,,
O=C1C(=C2NC(C(=O)O)C3C(=O)N(c4ccccc4)C(=O)C23)C(=O)c2ccccc21,CID5174937,,,,,,,,,,,,,,,0.0,,
Cc1sc2ncnc(OCC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c2c1C,CID2541468,,,,0.0,0.0,0.0,,,0.0,,0.0,,,,,,
O=C(Cn1c(=O)oc2ccccc21)N(Cc1ccccc1)C1CCS(=O)(=O)C1,CID2998535,,,0.0,,,,,,,0.0,0.0,,0.0,,,0.0,
Cc1cc(C(=O)OCC(=O)c2ccc(Br)s2)no1,CID2572725,0.0,,,,,,0.0,,,,,,,,,0.0,
O=C(CSc1nccc(=O)[nH]1)Nc1ccccc1Sc1ccccc1,CID2642676,,,,,,,,,,,,,,,0.0,,
O=C1Nc2cc(C(=O)N3CCOCC3)ccc2SC1N1CCOCC1,CID3243172,,,,,,,,,,,,,,,,0.0,
COc1cc(S(=O)(=O)Nc2ccccc2)ccc1N/C=C1\C(=O)N(c2ccc(C)cc2)N=C1C,CID5335678,,,,,,,,,,,,,,,0.0,,
Cc1cccc(Cc2nnc(CCC(=O)NCc3cnc4ccccn34)o2)c1,CID16191500,,,,,,,,,,,,,,,0.0,,
NC(=O)c1ccccc1OCC(=O)NC12CC3CC(CC(C3)C1)C2,CID7278857,,,,,,,,,,,,0.0,,,,,
O=C(COC(=O)CCC(=O)c1ccc2c(c1)OCCO2)NCc1ccc2c(c1)OCO2,CID2079037,,,0.0,,,,,,,,,,,,,,
O=C(Nc1cccc(F)c1)NC1CC2CCCC(C1)N2C1CC1,CID645430,,,0.0,0.0,,,,,,,,,,,,,
NC(=O)c1c(NC(=O)CSc2nnc(Cc3ccccc3)n2Cc2ccco2)sc2c1CCC2,CID645437,,0.0,0.0,0.0,,0.0,0.0,,0.0,0.0,,,,,,,0.0
COc1ccc(C(=O)NC2CCCCC2)cc1S(=O)(=O)N1CCCC1,CID645435,0.0,,,,0.0,0.0,,,,0.0,,,,,,,
COc1ccc(N2C(=O)CC(NCCNc3ccc([N+](=O)[O-])cn3)C2=O)cc1,CID2885008,,,,,,,,,,,,,,0.0,,,
Cc1cc(NC(=O)COC(=O)COc2ccc3c(c2)CCC3)no1,CID2125629,,,0.0,,,0.0,0.0,,0.0,,,,0.0,,,0.0,
COc1ccc(CCNC(=O)C2=COCCO2)cc1,CID2354370,,,0.0,,,,0.0,,,0.0,0.0,,,,,0.0,
Cc1conc1NC(c1cccs1)c1ccc2cccnc2c1O,CID3237613,0.0,,,,0.0,,,,,,0.0,,,,,,
O=C(c1cc(-c2ccncc2)nc2ccccc12)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1,CID6176958,,,,,,0.0,,,,,,,,,,,
O=S(=O)(Nc1ccc(Cc2ccncc2)cc1)N1CCCC1,CID713228,0.0,,,0.0,0.0,,0.0,,,,,,,,,0.0,
Cc1c(NS(=O)(=O)N2CCCC2)c(=O)n(-c2ccccc2)n1C,CID713220,0.0,0.0,0.0,,0.0,0.0,,,0.0,,,,0.0,,,0.0,
CN(C(=O)c1ccno1)c1nnc(-c2cnccn2)s1,CID648455,,,,,0.0,,,,,,,,,,,,
O=S(=O)(NC1CCCCC1)c1cccc(-c2nnc(-c3ccccc3)o2)c1,CID1279674,0.0,0.0,0.0,,0.0,,,0.0,,,,0.0,,,0.0,,
O=C(CN1CCN(Cc2ccccc2Cl)C1=O)NC1CCCCCCC1,CID3240620,,0.0,,,,,,,,,,,,,,0.0,0.0
COc1ccc(OC)c(C2CC(=O)C3=C(C2)NC(=O)CC3c2ccc(O)c(OC)c2)c1,CID3240626,,,0.0,,,,,,,,,,,,,,
COc1cccc2sc(Nc3nc(-c4ccccn4)cs3)nc12,CID3240629,,0.0,,,0.0,0.0,,,,,,,,,,,0.0
O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc2ccccc2n1,CID2415002,,,,,,,,,,,,,,,0.0,,
O=c1cc(Cn2nnc(-c3ccc(Cl)cc3)n2)nc2sccn12,CID2529155,,,,0.0,0.0,,,,,,,,0.0,,,,0.0
c1csc(-c2csc3nc(CN4CCOCC4)nc(NCc4ccc5c(c4)OCO5)c23)c1,CID2535642,,,0.0,0.0,0.0,,,,0.0,,0.0,,,,,,
Cc1cc(NCc2ccco2)[nH]c2cc(=O)ccc1-2,CID6324548,,,0.0,,,,,,0.0,,,,,,,,0.0
O=C1C=CC=C/C1=C1/C=C(C(=O)N2CCc3ccccc3C2)NO1,CID6324541,,,,0.0,,,,0.0,,,,,,,,,
Cc1cc(N2CCC(N(C)C3CCCC3)CC2)[nH]c2cc(=O)ccc1-2,CID6324540,,,,0.0,,,,,0.0,,,,,0.0,,,
COC(=O)CCCCC1SCC2NC(=O)NC21O,CID2849148,,,,,,,,,0.0,,,,,,,,
O=C(N(c1ccccc1)c1ccccc1)n1ccnc1,CID661299,0.0,,,,,,0.0,,,,,,,,0.0,,0.0
O=C(/C=C/c1cccs1)N1CCc2ccccc21,CID885474,,,,,,,,,,,,,,,0.0,,
Cc1cc(C(=O)CSc2nnnn2-c2ccccc2)c(C)n1-c1ccc2c(c1)OCO2,CID2621280,,,,,,,,,,,,,,,0.0,,
CN1CCN(/C=N/c2sc3c(c2C#N)CCCCC3)CC1,CID659541,,0.0,,,,,,,,,,,,,,,0.0
O=C(NC1CCCCC1)Sc1ccc(Cl)cc1,CID306691,,,,,,,0.0,,,0.0,,0.0,,0.0,,,
CCOC(=O)C1/C(=N/O)CC(C)(O)C(C(=O)OCC)C1c1ccc(N(C)C)cc1,CID660748,,,0.0,,,,0.0,,,,,,,,,,0.0
Oc1[nH]c2ccccc2c1OCc1ccncc1,CID660744,,,,,,,0.0,,,,0.0,,,,,,
Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2cccc4cccnc24)C3=O)cc1,CID1296770,,,,,,0.0,,,,,,,,0.0,,,
Cc1[nH]c(=S)[nH]c(=O)c1CCOc1ccccc1,CID718044,0.0,0.0,,0.0,0.0,,0.0,,,,0.0,,0.0,,,,
O=C(Cn1nnc(-c2ccccc2NC(=O)C2CC2)n1)NC1CCCCC1,CID647142,,,0.0,,,,,,,0.0,,,0.0,,,,
O=C(Nc1ccc2cn[nH]c2c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1,CID2377036,,,,,,,,,,,,,,0.0,,,
O=C(Nc1ccc(Nc2ccccc2)c2c1C(=O)c1ccccc1C2=O)c1ccccc1,CID5338500,,,,,,0.0,,,,,,,,,,,
CC(C)(C)n1nc2c(c1NC(=O)CCCc1ccccc1)CS(=O)C2,CID2160228,,,,0.0,,,0.0,,,,,,0.0,,,,
CCN(C(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12)C1CCS(=O)(=O)C1,CID6413621,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)n(N/C=C2\C=C([N+](=O)[O-])C=CC2=O)c(=O)c1,CID5397226,,,,,,,,,,,,,,,0.0,,
O=C1CC(c2ccco2)CC2=C1C1c3ccccc3C(=O)N1c1ccccc1N2,CID2926891,,,,,0.0,,0.0,,,0.0,,0.0,,,,,
CCc1cc2cc(C(=O)N3CCN(c4ccccc4)CC3)sc2s1,CID1239076,,,,,,,,,,,0.0,,,0.0,,,
CSC1=NCCN1C(=O)COc1ccc2ccccc2c1,CID3456010,0.0,,0.0,,0.0,,,0.0,,,,,,,,,
COc1ccc(CNC(=O)CCCCCn2c(SCC#N)nc3cc4c(cc3c2=O)OCO4)cc1,CID3236801,,,0.0,,,,,,,0.0,0.0,,0.0,,,0.0,
O=C1C=C(NCc2ccc(Cl)cc2)CC(c2ccco2)C1,CID2887097,0.0,0.0,0.0,,,,0.0,,,,,,,,,0.0,0.0
O=C(NCc1ccc(-n2cccc2)cc1)c1cccc(F)c1,CID4919610,,,,,,,,,,,,,,0.0,,,
O=C(Nc1ncccn1)C1CCCCC1,CID819233,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)nc(SCc2nnc(SCC(=O)Nc3nc(-c4ccccc4)cs3)n2-c2ccccc2)n1,CID3167554,,,,,,,,,,,,0.0,,0.0,,,
Nc1ncnc2c1ncn2CCNCCc1ccccc1,CID2983578,,0.0,,0.0,,,,,,,,0.0,,,,0.0,
Cc1ccc(C)c(SCC(=O)OCC(=O)NCc2ccccc2)c1,CID2352571,,,,,,,,,,,,,,0.0,,,
N#Cc1c(-c2ccccc2)[nH]c(SCc2nc(N)nc(N3CCCCC3)n2)nc1=O,CID1827097,,,0.0,0.0,0.0,,0.0,,,,0.0,,0.0,,,,
Cc1cc(C)n(-c2ccn(Cc3ccc(Cl)cc3Cl)c(=O)n2)n1,CID667198,0.0,,,,,,,,,,,,0.0,,,,
N#Cc1c(NC(=O)C2CCCO2)sc2c1CCCCCC2,CID4296023,,,,,,,,,,,,,,,0.0,,
Cc1nonc1NC(=O)Nc1cccnc1,CID676595,,0.0,,0.0,,,0.0,0.0,,,0.0,,0.0,,0.0,,
O=C(NCc1ccco1)C1OCCc2ccccc21,CID2969137,,,,,,,0.0,,,,,0.0,,,,,0.0
Cc1n[nH]c(=S)n1/N=C/c1cccc(OCc2ccccc2)c1,CID731420,,,,,,,,,,,,,,0.0,0.0,,
Cc1ncsc1CCSc1n[nH]c(=O)n1-c1ccccc1,CID1263396,0.0,0.0,0.0,0.0,0.0,,0.0,,0.0,0.0,,,0.0,0.0,,,
CCc1nnc(NC(=O)CN2CCOCC2)s1,CID1219971,,0.0,,,,,,,,0.0,,,,,,,
O=C(NC1CCCCCC1)C1c2ccccc2C(=O)N1CCCN1CCOCC1,CID3241533,,0.0,,,,0.0,,0.0,,,,,,,,0.0,
CCOc1cccc2cc(-c3csc(NC(=O)CCC(=O)NCCCN4CCC(C)CC4)n3)c(=O)oc12,CID16195548,,,,,,,,,,,,,,0.0,,,
O=C(NC1CCCCC1)C1c2ccccc2C(=O)N1Cc1ccco1,CID2815929,0.0,,0.0,0.0,,,0.0,,,0.0,,,,,,,0.0
Cc1noc(C)c1S(=O)(=O)NCCc1ccc(S(N)(=O)=O)cc1,CID3241534,,,,,0.0,,,,,,,,,0.0,,,
Cc1ccc(OCC(=O)N2CCN(C(=O)c3cccnc3)CC2)cc1,CID717207,,,,,,,,,,,,0.0,,,,,
Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2CCC(=O)c1ccccc1,CID647389,0.0,,,,,,0.0,,0.0,,0.0,0.0,,,0.0,0.0,
Cc1cc(C)n2nc(CCc3nc4nc(C)cc(C)n4n3)nc2n1,CID854795,,,,,0.0,,,,,,,,,,,,
O=C(/C=C/c1ccccc1)CC(=O)c1ccccc1O,CID888942,,,,,,,,,,,,,,,0.0,,
O=C1c2ccccc2-c2n[nH]c(=O)c3ccc(N4CCCCC4)c1c23,CID723174,,,,,,,,,,,,,,0.0,,,
Clc1cccc(N2CCN(CCNc3nc4ccccc4n4cnnc34)CC2)c1,CID3243304,,,,,,,,,,,,,,,0.0,,
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCN3CCCCCC3)CC2)cc1,CID3238955,,,,,0.0,,,0.0,,,,,,,,,
CN(C(=O)c1ccco1)C1(c2ccccc2Cl)CCCCC1=O,CID2998461,,,0.0,,,,,,,,,,,,,0.0,0.0
CCn1c2ccccc2c2nnc(SCC(=O)c3ccccc3)nc21,CID2894525,0.0,,0.0,,,,0.0,,,,,0.0,0.0,,,,
O=C(CSc1ccc2nnc(-c3cccnc3)n2n1)NCC1CCCO1,CID5310038,,,,,,,,0.0,,,,,,,,,
Nn1c(SC/C=C/c2ccccc2)nnc1-c1ccccn1,CID2024171,,0.0,0.0,,0.0,,,,,,0.0,0.0,,,,0.0,
O=C(CSc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2o1)NC1CCCc2ccccc21,CID2998468,,,0.0,,,,,,,,0.0,,0.0,,,0.0,
CN(C)C(CNc1nnnn1-c1ccccc1)c1ccco1,CID2999732,0.0,0.0,0.0,,,,,0.0,,,,,0.0,,,,
Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)c1C,CID1407194,0.0,,,,,,0.0,,0.0,,0.0,,,,,,0.0
COC(=O)N/C(C)=C1/NC(=O)c2ccccc2C(c2ccccc2)N1,CID2999734,,,,,,,0.0,,0.0,,,,,,,,
O=C(OCC(=O)N1CCOCC1)C(c1ccccc1)c1ccccc1,CID2999738,,,,0.0,,0.0,0.0,,,,,,0.0,,,,
OC(c1ccccn1)c1c[nH]c2ccccc12,CID2810102,,,,,,0.0,0.0,0.0,,,,0.0,0.0,,,,
O=C(CCC(=O)N(CC(=O)NC1CCCC1)Cc1ccc2c(c1)OCO2)Nc1nccs1,CID3205408,,,,,,,,,,,,,,,0.0,,
COC(=O)C1(S(=O)(=O)c2ccc(C)cc2)CCOCC1,CID3239604,,,,,,,,,,,,0.0,,,,,
O=C(CSc1nnc(C2COc3ccccc3O2)o1)N1CCOCC1,CID3239605,,,0.0,,,,,,,,,,,,,0.0,
O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(Oc2ccccc2)cc1,CID2940986,,,,,,,,,,,,0.0,,,,,
O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1nc2ncccn2n1,CID1169203,,0.0,,0.0,,,,,,,,,,,,,
Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c(C)c1,CID1253361,,,,,,,,,,,,,,,0.0,,
O=C(CNC(=O)c1cccs1)NCCN1CCN(c2ccccc2F)CC1,CID3243808,0.0,0.0,,,,,,0.0,,,0.0,,,,,,
C(=C/c1nc(N2CCCC2)c2ccccc2n1)\c1ccccc1,CID5350491,,,,,,,,,,,,,,0.0,0.0,,
CC1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)cc2)CC(C)O1,CID4155211,,,,,,,,,,,,,,0.0,,,
O=C(CN1C(=O)C2C3c4ccccc4C(c4ccccc43)C2C1=O)N1CCOCC1,CID2936472,,0.0,,,,,,0.0,,,,,,,,,
CCC(CC)c1nnc(NC(=O)C2CC(=O)N(c3ccc4c(c3)OCCO4)C2)s1,CID4282022,,,,,,,,,,,,,,,0.0,,
O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)N1CCSCC1,CID1152678,,,,,0.0,,0.0,,,,,,,,,,0.0
Cc1nn(CC(=O)NCCCc2ccccc2)c(C)c1[N+](=O)[O-],CID2100313,,,,,,,,,,,,,,0.0,,,
CCN(CC)C(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2c3c(sc21)CCC3,CID9550832,,,,,,,,,,,,,,0.0,,,
COc1ccc(-n2c(=O)c3ccccc3n(Cc3ccc(F)cc3)c2=O)cc1OC,CID9550831,,,,,,,,,,,0.0,,,,,,
c1ccc2c(-c3c[nH]c4ccccc34)c3ccccc3nc2c1,CID3131058,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(S(=O)(=O)N2CCN(C(=S)NC3CC3)CC2)cc1,CID2442671,,,,,,,,,,,,,,0.0,,,
CCn1c2ccccc2c2cc(CN3CCN(C(=O)c4ccco4)CC3)ccc21,CID2165724,0.0,0.0,,,,0.0,,,,,,0.0,0.0,,,,0.0
C=CCn1c(SCc2nc(=O)c3ccccc3[nH]2)nnc1-c1cc2cc(Cl)ccc2o1,CID2233493,,0.0,0.0,,0.0,,,,,,,0.0,0.0,,,0.0,
Cc1cccc(NC(=O)CCC(=O)N/N=C/c2ccncc2)c1,CID1679406,,,,,,,,,,,,,,0.0,0.0,,
c1ccc(Cc2ccc(OCCn3cncn3)cc2)cc1,CID976124,0.0,0.0,,0.0,,,,,,,,,,,,,
COc1ccc(/C=C2\CCCC3C2=NN(C(=O)COC(=O)CNC(=O)c2ccccc2)C3c2ccc(OC)cc2)cc1,CID5800726,,,,,,,,,,,,,,0.0,,,
O=C1CC(=O)N(CCc2ccc(F)cc2)C(=O)N1,CID2906652,,,,,,0.0,,,,,,,,,,,
Cc1cccc(NC2=NC(=O)/C(=C3/C(=O)N(C)c4ccccc43)S2)c1C,CID1553766,0.0,,0.0,0.0,0.0,0.0,0.0,,,,0.0,0.0,,,,,
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)NCCC3=CCCCC3)n2N)c1,CID2410033,,0.0,,0.0,,,,,0.0,,,0.0,,,,0.0,0.0
O=C(Cn1cnnn1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1,CID4839349,,,,,,,,,,,,,,0.0,,,
O=C(CCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)N1CCc2ccccc2C1,CID4531204,,,,,,,,,,,,0.0,,,,,
COc1cccc(C(c2nnnn2CS(=O)(=O)c2ccc(C)cc2)N2CCN(C)CC2)c1OC,CID655693,0.0,,,,,,,,,,,,,,0.0,,0.0
Cc1ccc2cc(CN(CCN3CCOCC3)Cc3nnnn3Cc3ccco3)c(=O)[nH]c2c1C,CID655691,,,,,,,,,,0.0,,,,,,,
O=S(=O)(c1ccc(N2CCCC2)nc1)N1CCOCC1,CID5268063,,,,,,,,,,,0.0,,,,,,
COc1ccc(C(=O)N/N=C(\C)c2ccc3c(c2)C2C=CCC2C(c2ccccc2)N3)cc1,CID6836350,,,,,,,,,,,,,,,0.0,,
COc1ccccc1N1CCN(C(=O)CSc2nnc(NC(=O)C3CCC3)s2)CC1,CID655694,,0.0,,,0.0,,,,0.0,,0.0,,,,,,0.0
O=C(c1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])c(Sc3cccc4cccnc34)c2)CC1,CID2891298,,,,,,0.0,,,,,,,,,,,
CC(=O)c1c(C)[nH]c(C(=O)NCCC2=CCCCC2)c1C,CID3242976,,,,,,,,,,,,,,,,0.0,
Oc1ccccc1Oc1ncc(Br)c(N2CCOCC2)n1,CID3242975,0.0,,,,,,,,0.0,,,,,,,0.0,
CC1CC(=O)N(CC(=O)N2CCCC2)c2ccccc2S1,CID3242970,,,,,,,0.0,,,,,,,,,,0.0
O=C(c1ccc(COc2c(F)c(F)c(F)c(F)c2F)o1)N1CCOCC1,CID3242971,,,,,,,,,0.0,,,,,,,,0.0
O=C(NCCNC1=NS(=O)(=O)c2ccccc21)c1ccco1,CID1778266,,,,,,,,,,,,0.0,,0.0,,,
Cc1ccc(-c2ccc3nnc(SCC(=O)NCC4CCCO4)n3n2)cc1,CID16194926,,,,,,,,,,,,,,,0.0,,
O=C(c1cncc(Br)c1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1,CID5308489,0.0,,,,,,,,0.0,,,,,,,,
O=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1,CID5308481,0.0,,,,,0.0,,,,,,,0.0,,,,
COc1cc(CCC(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc(OC)c1OC,CID5308484,0.0,,,,,,,,,,,,0.0,,,,
N#Cc1c(N)nc(SCc2ccccc2)c(C#N)c1-c1ccco1,CID747881,0.0,,,0.0,0.0,0.0,0.0,,,,,,,,,,
CCCCCc1cc(O)c2c3c(c(=O)oc2c1)CN(C)CC3,CID5761549,,,,,,,,,,,,,,,0.0,,
CCOC1OC2C(CO)OC(n3cnc4c(N)ncnc43)C2O1,CID3521030,,,,,,,0.0,,,,,,,,,,
O=C(COc1ccc(-n2cnnn2)cc1)NCCc1ccc(F)cc1,CID2090859,,0.0,0.0,0.0,,,,,,,,,,,,,
CC12CCC(=O)N1C(C(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1)CS2,CID4334536,,,,,,,,,,,,,,,0.0,,
Cc1noc(C)c1COc1cccc(C(=O)OCCOc2ccc(F)cc2)c1,CID2103436,,,,0.0,,0.0,,,,,0.0,,,,,,
CC1=C(C(=O)N2CCCCC2)C2(CCC(C)CC2)OC1=O,CID5307768,,,,,,,,,,,,0.0,,,,,
N#Cc1c(NC2CCCCC2)nc(-c2ccco2)c2c1CCCC2,CID845278,,,,,,,,,,,0.0,0.0,,,,,
CC(C)(CNCC(O)c1ccccc1)N1CCOCC1,CID2998853,,,,0.0,,,,0.0,,,,,,,,0.0,
O=C(NC1CCN(CC(=O)N(c2ccccc2)c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1,CID3230382,,,,,,,,,,,,,,,0.0,,
O=S(=O)(c1ccc(Nc2ccc3c(c2)OCO3)nc1)N1CCOCC1,CID2998854,,,,,,,,,,,,,,,,0.0,
CCCCn1c(SCN2C(=O)c3ccccc3C2=O)nc2cc(S(N)(=O)=O)ccc21,CID2998855,,0.0,,,0.0,0.0,,,0.0,0.0,0.0,,,,,,
CCn1c(-c2cc(C3CC3)nc3ccccc23)n[nH]c1=S,CID843620,,,,,,,,,,,,,,,0.0,,
O=C(O)C1CCN(C(=O)c2ccccc2C(=O)N2CCC(C(=O)O)CC2)CC1,CID3238578,,,,,,,,0.0,,0.0,,,0.0,,,,
O=C(c1c(O)oc2ccccc2c1=O)C1CCC1,CID3238573,,,,,,0.0,,,0.0,,,,0.0,,,0.0,
N#Cc1ccc(CSc2nnc(-c3cnccn3)o2)cc1,CID654523,,0.0,,0.0,0.0,,,,,,0.0,,,,,0.0,
O=C(CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1CC1CCCO1)NC1CC1,CID654526,,0.0,,0.0,,,,,,,,,,,0.0,0.0,0.0
O=C(Cc1ccccc1)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1,CID654525,,,0.0,,,,,0.0,,,,0.0,,,,,
CC1(C)CC(=O)C(Sc2nnc(-c3ccc(NS(C)(=O)=O)cc3)n2Cc2ccco2)C(=O)C1,CID654528,,,,,0.0,0.0,0.0,,,,,,0.0,,,0.0,0.0
O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)C1CCCCC1,CID1160340,,,,,,,,,0.0,,,0.0,,,,,
CCn1/c(=N/C(=O)c2ccc(N3C(=O)CCC3=O)cc2)sc2c(OC)ccc(OC)c21,CID2150886,,,,,,0.0,,,,,,,0.0,,,,0.0
COc1ccc(C(c2nnnn2CC2CCCO2)N2CCN(c3ccccc3)CC2)cc1,CID653553,0.0,0.0,,,,,0.0,,,,,,,,,0.0,
O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CCCCC3)cc2)CC1,CID653550,,,,,0.0,0.0,,,,,0.0,,,,,,
Nc1c(C(=O)NCc2ccco2)c2nc3ccccc3nc2n1CCN1CCCCC1,CID659069,,,0.0,0.0,,,0.0,,,,,,,,,,
O=C(NCC1CCCO1)c1ccccn1,CID2964204,,,,,,,,,,0.0,,,0.0,,,,0.0
O=C(NCC1CCCO1)c1cc2ccccc2[nH]1,CID2964205,,,,0.0,,0.0,,0.0,,,,,,,,,
c1cncc(C(c2nnnn2C2CCCC2)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1,CID653557,0.0,,,,,,,,,0.0,,,,,,,
O=C(Nc1cccnc1)C(Cc1ccccc1)n1cccc1,CID5309757,0.0,,,,,0.0,,,,,,,,,,,0.0
CCOC(=O)N1CCN(c2c(NC3CCN(Cc4ccccc4)CC3)c(=O)c2=O)CC1,CID5309753,,0.0,,,,,0.0,,,,,,,,,,
O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCc4ccccc43)ccc21)NC1CCCC1,CID5309751,,,,,,,,,,0.0,,,,,,,1.0
O=c1c2cnn(-c3ccccc3)c2ncn1/N=C/c1ccncc1,CID2382145,0.0,0.0,,0.0,,,,,,,,0.0,,,,,
c1ccc(-c2cc3c(-n4cccc4)ncnc3o2)cc1,CID653558,0.0,0.0,,,,0.0,0.0,,,,,,,,,,
c1ccc(-c2cc3c(ccc4nonc43)nn2)cc1,CID2837747,,,,0.0,,,0.0,0.0,,0.0,,,0.0,,,,
[O-][n+]1onc2c1CCC1N(O)C(c3ccccc3)CC21O,CID2837744,,,,,,,,0.0,,,,,0.0,,,,0.0
NC12CCc3c(no[n+]3[O-])C1(O)CC(c1ccccc1)=[N+]2[O-],CID2837740,,,,,,,,,,0.0,,,,,,,
C/C(CC1(O)/C(=N/O)CCc2nonc21)=N\O,CID2837741,,,,,,,,,,,,,,0.0,,,
CCN(CCNC(=O)c1ccc2nc(-c3ccccc3NC(C)=O)c(=O)[nH]c2c1)c1ccccc1,CID11957252,,,,,,0.0,,,,,,,,,,,
CCNc1nc(NCC)n2c(SCC(=O)O)nnc2n1,CID2392367,,,,0.0,,,,,,,,,,,,,
CC(Nc1nc(-c2ccc3c(c2)NC(=O)CO3)cs1)c1ccccc1,CID3288975,,,,,,,,,,,,,,0.0,,,
N#CC1=C(N)Oc2cc(Nc3ccccc3)ccc2C1c1ccncc1,CID2961956,,,,,,,,,0.0,,,,,,,,
O=C(NC1CCCC1)C(c1ccncc1)N(CC1CCCO1)C(=O)Cn1nnc(-c2cccs2)n1,CID3190142,,,,,,,,,,,0.0,0.0,,,,,
O=C(CN1CCc2ccccc2C1)NCc1ccco1,CID2441185,,,,,,,,,,,,0.0,,,,,
CSc1nnnn1CCn1nnnc1SC,CID1227317,,,,,,,,,0.0,,,,,,,,
CC(=O)N1C(Cc2ccccc2)C=CC1(C)C(=O)NCCc1c[nH]c2ccccc12,CID5459714,,,,,,,,,,,,,,,0.0,,
O=C(CN(C(=O)C1COc2ccccc2O1)c1ccccc1)NCC1CCCO1,CID651325,,,0.0,0.0,0.0,,0.0,,,0.0,,0.0,,,,,
CCOC(=O)C1CCCN(S(=O)(=O)c2cc(OCC(=O)NC3CCCCC3)c(C)cc2Cl)C1,CID2953485,,,,,,,,,0.0,,,,,,,,
O=C(c1cn(-c2ccccc2)nc1-c1ccncc1)N1CCCCC1,CID976901,0.0,,0.0,0.0,,,0.0,0.0,,,0.0,,,,0.0,,
O=[N+]([O-])c1ccc(NCCCNS(=O)(=O)c2ccccc2)cc1,CID2883302,,,,,,0.0,,,,,,,,0.0,,,
Cc1ccc(NC2=NCC(=O)N2CCc2ccccc2)cc1C,CID1454456,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1cnc(Nc2nc3ccccc3o2)nc1CN1CCN(c2ccccc2)CC1,CID2955655,,,,,,,,,,0.0,,0.0,,,,,0.0
Cc1cc(C)n2nc(Nc3ccccc3)cc2n1,CID2303250,,,,,,,,,,,,,0.0,0.0,,,
CC1(C)CC(=O)C(SC2=NNC(=C3C=CC(=O)C=C3)N2CC2CCCO2)C(=O)C1,CID5770777,,,,,,0.0,,0.0,,,,,,,,,
O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1,CID1304231,,,,,,,,,,,,,,,0.0,,
O=C(C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCCC1,CID3236130,,,,,,,0.0,0.0,,,,,,,,,
COc1cccc(C(=O)Oc2cc3c4c(c2)C(C)=CC(C)(C)N4C(=O)C3=O)c1,CID1620644,,,,,,0.0,,,,,,,,,,,
CCC(C)(C(=O)NC1CCCCC1)N(CC1CCCO1)C(=O)Cc1cccs1,CID4233826,,,,,,,,,,,,,,,0.0,,
O=C(NC(=S)NCCC1=CCCCC1)c1ccc(Br)o1,CID1014967,,,,,,,,,,,,,,0.0,0.0,,
O=C(Nc1ncnc2sc3c(c12)CCC3)c1ccco1,CID646008,0.0,0.0,,0.0,,,0.0,0.0,,0.0,,,0.0,0.0,,0.0,0.0
O=C(c1csc(Nc2ccccc2Cl)n1)N1CCCC1,CID656219,0.0,,,0.0,0.0,,,,,0.0,,,,,,,0.0
CCCS(=O)(=O)N1CCCC(C(=O)N2CCN(c3ccccc3)CC2)C1,CID3242187,,,,,,,,0.0,,,,,,,,,0.0
CC(NC(=O)c1cccs1)C(c1cccs1)N1CCN(c2ccccc2)CC1,CID3242185,,,,,0.0,,,,,0.0,,,,,,,
CN1CCN(CC(=O)N(Cc2c(C#N)c3ccccc3n2C)c2ccccc2)CC1,CID1124495,0.0,0.0,0.0,,,,0.0,,,,,,0.0,,,,
COc1cccc(C2/C(=C(\O)c3ccc4c(c3)OCO4)C(=O)C(=O)N2CCN(C)C)c1OC,CID5739140,,,,,,,0.0,0.0,,,,,,,,,
Nc1nc(CSc2nnc(-c3cccc(F)c3)n2-c2ccccc2)nc(N2CCOCC2)n1,CID3242182,,,,,,,,,,,0.0,,,,0.0,,
Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(Cc3ccccc3)CC2)cc1,CID3242181,,,,,0.0,,,,,0.0,,,,,,,
O=C(O)COc1ccccc1/C=N/NC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1,CID2390321,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1C(=O)c1cccn1CC(=O)NCCCN1CCc2ccccc2C1,CID16194177,,,,,,,,,,,,,,,0.0,,
COc1ccc(C2(C(=O)Nc3cc(C)on3)CCOCC2)cc1,CID974802,,,,0.0,,,0.0,0.0,0.0,,,,0.0,,,,
CCOC(=O)C1=C(C)NC(=O)NC1c1ccoc1,CID655439,,,,,0.0,,,,,,,,,,,,
O=C(Cc1csc(N2CCOCC2)n1)N/N=C/c1ccc(F)cc1,CID2360427,,,,,,,,,,0.0,,,,,,,
Cc1cccc(NC(=O)c2ccccc2OCC(=O)N2CCCC2)c1C,CID1301068,,,,,,,,,,,,,,0.0,,,
CC1=CC(=C(C#N)C#N)C=C(C)N1CCN1CCN(C(=O)Nc2cccc(Cl)c2)CC1,CID2321507,,,,,,,,,,,,,,,0.0,,
COc1ccc(/C=C2\SC(NS(=O)(=O)c3cccs3)=NC2=O)cc1,CID2321502,,,,,,,,,,,,,,0.0,,,
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CCOCC2)cc1,CID1092325,,,0.0,,,,,,,,,,0.0,,,0.0,0.0
O=S(=O)(Nc1cccc2ccccc12)N1CCCC1,CID713198,0.0,0.0,,0.0,0.0,,0.0,,,,,0.0,0.0,,,,0.0
O=C(COC(=O)c1ccc(Cl)nc1)NCc1cccs1,CID2365381,,,,,,,,,,,,,,0.0,,,
Cc1nnc(N(Cc2ccco2)C(=O)c2ccno2)s1,CID651818,,0.0,,,,0.0,,,,,,,,,,0.0,
CCCCCCn1c(COc2ccccc2F)nnc1SCC(=O)c1c(N)n(C)c(=O)n(C)c1=O,CID2478231,,,,,,,,,,,,,,,0.0,,
NC1=Nn2c(nc(-c3ccccc3)cc2=O)/C1=N/Nc1ccccc1,CID11958768,,,,,,,,,,,,,,,0.0,,
COc1ccc(CC(=O)Nc2cccc(-c3ccc4nncn4n3)c2)cc1OC,CID7217792,,,,,,,,,,,,,,0.0,,,
O=C(c1cc(-c2ccco2)nn1-c1cccc(Cl)c1)N1CCCCC1,CID1053503,0.0,,,,,,0.0,,,,,,0.0,,0.0,,
CCN1CCN(C(=O)C2c3cc(OC)c(OC)cc3C(=O)N(C)C2c2ccc(SC)cc2)CC1,CID3241458,,,0.0,,,,,,,,,,,,,,
CN1CCN(CCCNC(=O)Nc2cccc3ccccc23)CC1,CID3237299,,,,,,,,,0.0,,0.0,,0.0,,,0.0,
CCOc1ccc(C(=O)Nc2cccc(-c3ccc4nncn4n3)c2)cc1,CID7217798,,,,,,,,,,,,,,,0.0,,
COc1ccccc1NC(=O)CS(=O)(=O)c1cccc2nsnc12,CID3240128,0.0,,0.0,,0.0,0.0,,,,0.0,0.0,,0.0,,,,
Cc1cc(C)n2nc(CC(=O)NC3CCCCCCC3)nc2n1,CID3237142,,,0.0,,,0.0,,0.0,,0.0,,0.0,0.0,,,,
CCOc1ccccc1OCC(=O)Nc1ccc(N2CCCCC2)cc1,CID1192524,,,,0.0,,,,,0.0,,,0.0,,,,,0.0
O=C(NCC(=O)N(c1cccnc1)C(C(=O)NC1CCCC1)c1ccccc1)c1ccco1,CID3211447,,,,,,,,,,,,,,,0.0,,
COc1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)ccc1-n1cnnn1,CID646200,,,,,0.0,,,,,,,,0.0,,,,
O=C(COC(=O)c1ccccc1Oc1ccccc1)NCc1ccco1,CID2405976,,,,,,,,,,,,,,,,0.0,
CC1CCCN(C(=O)C2CCCN(S(=O)(=O)c3cccc4nsnc34)C2)C1,CID9551219,,,,,,,,,,0.0,,,,,,,
Cc1nc(CNS(=O)(=O)c2ccc3c(c2)CCCC3)cs1,CID5310173,,,,0.0,,,,,,,,,,,,,
O=C(CS(=O)(=O)c1ccc2ccccc2c1)N1CCCCCC1,CID851309,,,,,,,,,,,,,,,0.0,,
NS(=O)(=O)c1ccc(NC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1,CID2209561,,,,,,,,,,,,,,,0.0,,
O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCCc1ccccn1,CID2537367,,,,,,,0.0,0.0,,,0.0,,0.0,,0.0,0.0,0.0
Cc1cc(/C=C2\C(=O)NC(=O)N(C)C2=O)c(C)n1-c1ccc2c(c1)OCO2,CID1842360,,,,,,0.0,,,,,,,,,,,
Cn1c(SCC(=O)NC2CC2)nnc1-c1cccc(NC(=O)c2ccccc2F)c1,CID1837474,,,,,,0.0,,,,,,,,,,,
O=C(CCC1CCCC1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1,CID1096354,0.0,,,,,,,0.0,,0.0,0.0,,0.0,0.0,,,
CC1Cc2ccccc2N1C(=O)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O,CID4875553,,,,,,0.0,,,,,,,,,,,
CC(=O)NC1Sc2ccccc2N=C1c1ccccc1,CID655408,,,,,0.0,,,,,,,,0.0,0.0,,,0.0
CC1(C(=O)Nc2nccs2)Cc2ccccc2C(=O)O1,CID2960225,,0.0,,,,,,,,0.0,,,,,0.0,,0.0
CCC(C)(C)n1nnnc1C(c1ccncc1)N1CCC(C)CC1,CID3229125,,,,,,,,,,,0.0,,,,,,
O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)NCc1ccc2c(c1)OCO2,CID1299185,,,0.0,,0.0,,0.0,0.0,,,,,0.0,,,,0.0
c1ccc(-c2n[nH]c(-c3ccccn3)n2)nc1,CID314836,,0.0,,0.0,,,,0.0,,,,0.0,,,,,
COC(=O)c1c(C)n(Cc2ccc3c(c2)OCO3)c2ccc(O)cc12,CID1280881,,,0.0,,,,0.0,,,,,,0.0,,,0.0,
CC(=O)NC1(C2CCCCC2=O)CCCCC1,CID351111,,,,,,,0.0,,0.0,,,,,,,0.0,0.0
S=c1nc(-c2ccccc2)n(CCCN2CCOCC2)c2c1CCCC2,CID663906,,,0.0,,0.0,0.0,,,,,,,,,,,0.0
COc1cc(C(=O)c2nccc3cc(OC)c(OC)cc23)c([N+](=O)[O-])cc1OC,CID286873,,,,,,,,,,,,,,,0.0,,
Cc1cc(C(=O)Nc2nc3c(s2)CCCC3)no1,CID2531232,,,,0.0,,,,,,0.0,,,,,,,
O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)N1CCCC1,CID2605165,0.0,,0.0,0.0,0.0,,0.0,,,0.0,,,0.0,,,,
CC(=O)c1ccc(NC(=S)NC(NC(=O)c2ccco2)C(Cl)(Cl)Cl)cc1,CID2887361,,,,,,,,,0.0,,,,,,,,
CC1=C(C(=O)OCc2ccccc2)C(c2cccnc2)N2NC=NC2=N1,CID5711299,,,,,,,,,,,,,,,0.0,,
COc1cccc(C(=O)Nc2nc(=O)c3c([nH]2)CCCC3)c1,CID4363706,,,,,,,,,,,,0.0,,,,,
Cc1nn(CC(=O)Nc2sc3c(c2C#N)CCC(C(C)(C)C)C3)c(C)c1[N+](=O)[O-],CID3123018,,,,,,,,,,,,,,,0.0,,
COC(=O)C(C(=O)N1CCN(C)CC1)C1CCCCCC1,CID2946226,,,,,,,,0.0,,0.0,,,,,,,
CC(=O)n1cc(C2OC(O)=C(C)C(=O)C2(C)C)c2ccccc21,CID2946225,,,,,,,0.0,,,,,0.0,,,,,
Cc1cc(NC(=O)CNC(=O)C2CCCCC2)no1,CID706181,,0.0,,,,0.0,,,0.0,,,0.0,0.0,,,,
Cc1c(N2C(=O)SC(CC(=O)O)C2=O)c(=O)n(-c2ccccc2)n1C,CID661310,,,,,,,,0.0,,,,,,0.0,,0.0,0.0
CC(C)(C)NC(=O)NC(=O)CN1CCCCCCC1,CID2468252,,,,,,,,,,,,,,0.0,,,
Cc1ccc2c(CC(=O)OCc3csc(C)n3)coc2c1,CID2565823,,,0.0,,,,,,0.0,,,,,,,0.0,0.0
c1ccc2[nH]c(CSc3nc4ccccc4o3)nc2c1,CID706189,,0.0,,,,,,0.0,,,,,,,0.0,0.0,
COc1ccc(C2CC3CN(Cc4ccccc4OC)C(=O)C34CCCN24)cc1C,CID16192012,,,,,,,,,,,,,,0.0,,,
Cn1cccc1CC(=O)NNC(=S)NC(=O)c1ccccc1Br,CID2327921,,,,,,,,,,,,,,0.0,,,
O=c1cc(-c2ccncc2)oc2ccccc12,CID242586,,,,,,0.0,,0.0,0.0,,,,0.0,,,,
CN(C)c1ccc(/N=N/c2ccccc2C(=O)OCC(=O)N2CCCCCC2)cc1,CID4287451,,,,,,,,,,,,,,0.0,,,
O=C(NCc1ccco1)NC12CC3CC(CC(C3)C1)C2,CID3345159,,,,,,,,,,,,,0.0,,,,
CC(C)C(=O)N1CCC(CNC=C2C(=O)N(C3CCCCC3)C(=O)N(C3CCCCC3)C2=O)CC1,CID5310746,,,,,,,0.0,,,,,,,,,,
CC1CCc2cc(F)ccc2N1C(=O)C12CCC(C)(C(=O)O1)C2(C)C,CID2946486,,,,,,,,,,,,,,,0.0,,
CSC1=N/C(=C\C=C\c2cccs2)C(=O)S1,CID5310740,,,,,,,,,0.0,,,,0.0,,,,
CN(/N=C/c1cc(Br)cs1)c1cnc2ccccc2n1,CID3685791,,,,,,,,,,,,,,,0.0,,
COc1cccc2c(=O)cn[nH]c12,CID839273,,,,,,,,,,,,,,,0.0,,
Fc1cnc(N2CCN(c3ccccc3)CC2)nc1N1CCN(c2ccccc2)CC1,CID1276991,,,,,,,0.0,,,,,,,0.0,,,
COc1cc(C(=O)Nc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3s2)cc(OC)c1OC,CID2017240,,,,,0.0,,,,,,0.0,,,,,,
CCOC(=O)N1CCN(C(=O)Nc2ccc(NC(=O)N3CCN(C(=O)OCC)CC3)cc2)CC1,CID1103613,,,,,,,,,,,,,,0.0,,,
COc1ccccc1NC(=O)Cn1nnc(-c2ccccc2NC(=O)c2cc3ccccc3oc2=O)n1,CID1463775,,,,,,,,,,,,0.0,,,,,
Cc1csc(-c2cc3ccc(OCc4c(F)cccc4Cl)cc3oc2=O)n1,CID987913,,,,,,0.0,,,,,,,,,,,
COCCn1nnnc1C(c1ccc2ncccc2c1)N1CCc2ccccc21,CID645906,,0.0,,,,,,,,,,0.0,,,,,
COC(=O)C1=[N+]([O-])OC(C(=O)OC)C1c1c[nH]c2ccccc12,CID3236894,,,,,,0.0,,0.0,,,,0.0,0.0,,,,0.0
Cn1c(NCC2CCCO2)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C,CID652870,0.0,0.0,,,,,,,,,0.0,,,,,,
COc1ccc(C(=O)C2CCN(C(=O)c3ccco3)CC2)cc1,CID652876,,,,,,0.0,0.0,0.0,,,,,0.0,,0.0,,
O=C(CSc1nnnn1Cc1ccccc1)NCCc1ccccc1,CID652875,0.0,,0.0,,0.0,,,,,,,,0.0,,,,
O=C(CSCc1ccc(Cl)cc1)c1ccco1,CID2382051,,,,,,,,,,0.0,,,,0.0,,,
O=C(Nc1ccc(-n2cnnn2)cc1)C1CCCN1C(=O)NC1CCCCC1,CID654097,,,,0.0,,,,,,0.0,0.0,,0.0,,,,
CCOC(=O)c1sc2nc(CN3CCCCC3)nc(Cl)c2c1C,CID2526717,,,,,,,,,,,,,,,0.0,,
COC(=O)CCC/C=C1/SCC(NC(=O)c2ccccc2)C1O,CID5722276,,,,,,,,,,,,,0.0,,,,
O=c1nc[nH]c2c1oc1ccccc12,CID604136,,,0.0,,,,,,,,,,,,,,
O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1,CID2715733,,0.0,,0.0,,,,,,0.0,,,,,,,
Clc1ccccc1COc1ccccc1-c1nnco1,CID2408775,,0.0,0.0,,,,,,,,,,0.0,,,0.0,0.0
O=C1Nn2c(nc3c(c2=O)CCCC3)/C1=N/Nc1cccc(C(F)(F)F)c1,CID7309396,,,,,,,,,,,,,,0.0,,,
O=S(=O)(NCc1ccccn1)c1ccc2c(c1)OCCO2,CID662272,,,,0.0,,,,0.0,,,,,,0.0,,0.0,
Cc1cc(C)n(C(=O)c2ccc3c(c2)OCO3)n1,CID686254,,,,,,,,,,,,,0.0,,,,
O=C(Oc1ccccc1)c1ccc(-n2cnnn2)cc1,CID646598,,0.0,,,,0.0,,0.0,,,0.0,,,,0.0,,
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2)no1,CID1316979,,,,,,,,,,0.0,0.0,,,,,,
COc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cn1,CID2998386,,,0.0,0.0,,,,0.0,,,,,,,,,
O=C(COC(=O)COc1ccc(Nc2ccccc2)cc1)NCc1ccco1,CID2998383,0.0,,,,,,,,0.0,,,0.0,,,,,0.0
CCOC(=O)c1sc(NCc2ccco2)c(-c2nc3ccccc3s2)c1N,CID2998381,,,0.0,,0.0,0.0,,,0.0,,0.0,,0.0,,,,
Clc1cc(Cl)cc(Nc2ncn[nH]2)c1,CID2766488,,,,,,,,,,,,,,,0.0,,
Cc1nc(S(=O)(=O)Cc2ccccc2Cl)nc2c1CCC2,CID2766487,,,,,,,,,,,,,,,0.0,,
COc1cccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCn2ccnc2)c1OC,CID2919153,,,0.0,,0.0,,,,,,,,,,,,
CCOC(=O)CSc1nc(-c2ccncc2)ccc1C#N,CID657961,,,,0.0,,,,0.0,,0.0,,,,,0.0,0.0,0.0
O=C(CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1ccc2c(c1)OCO2,CID1164849,,,,,0.0,,,,,0.0,,,0.0,,,,0.0
O=C1c2ccccc2C(=O)N1CC1=CCS(=O)(=O)C1,CID657965,,,,0.0,,,,0.0,0.0,,,0.0,,,,0.0,
Cc1cc(C)c2nc(-c3ccccn3)cc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)c2c1,CID1261479,,,,,,,,,,,,,,0.0,,,
Cn1/c(=N/CC(O)COc2ccccc2)sc2ccccc21,CID657969,0.0,,,0.0,0.0,,0.0,,,,,,,,,,0.0
O=C(c1scc2c1CCCC2)N1CCCCC1,CID596805,,,,,0.0,,0.0,,,0.0,,,0.0,,,,
O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc2c(c1)OCCO2,CID1301208,,,0.0,,,,0.0,0.0,,,0.0,,,,0.0,0.0,0.0
O=C(OCn1nnc2ccccc2c1=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1,CID3241366,,,,,,,,0.0,,,,,,,,,0.0
C=CCn1c(=O)c2ccccc2n2c(SC(C)C(=O)Nc3nc(-c4ccccc4)cs3)nnc12,CID2998944,,,,0.0,,,,,,0.0,,0.0,,,,,
O=C(CSc1nc2ccccc2n1CCc1ccccc1)NC1CC1,CID4065750,,,,,,,,,,,,,,0.0,0.0,,
O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)NC1CCCCCC1,CID1306936,,,,,,,,,,0.0,,,,,,,
CC(C)(C)n1ncc2c(=O)n(CC(=O)Nc3ccc4c(c3)OCCO4)cnc21,CID3236289,,0.0,,0.0,,,,0.0,,,,,0.0,,,0.0,
COc1ccccc1CN1C(=O)c2ccncc2C1=O,CID3243894,,,,0.0,,,,,,,,,0.0,,,,
Nc1cnn(C2CCCO2)c(=O)n1,CID2999137,,,0.0,0.0,,,,,,,,,0.0,,,,
Cc1cc(NC(=O)CSc2nnc(C(C)N(C)C)n2Cc2ccccc2)no1,CID2999135,,0.0,,,0.0,,,,,,0.0,,,,,,
CC1CCC(C(=O)NC(C(=O)NCCN2CCC(C)CC2)C(C)C)CC1,CID3243893,0.0,,,,,,,,,0.0,,,,,,0.0,
Cn1c(=O)n(CCc2ccccc2)c(=O)c2c1nc1n2CCCN1CCc1ccccc1,CID665374,0.0,,,,,,0.0,,,,,,,,,,
O=C(OCCN1C(=O)CCC1=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1,CID665373,,,,0.0,0.0,,,,,,,,,,,0.0,
CC1(C)N([O-])C(c2cccs2)=C[N+]1=O,CID645337,,,0.0,,,,,,,,,,,0.0,0.0,,
O=C1c2ccccc2C(=O)N1CCCc1nc(-c2ccccn2)no1,CID974898,,,,0.0,,,0.0,,,,,,,,,,
CCOC(=O)C1CCN(C(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)CC1,CID1313801,,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(CC(C)c3ccccc3)o2)c1C,CID2999139,0.0,,,,,,,,,0.0,0.0,,,,,,
CC1(C)CC(NC(=O)CCc2ccccc2)CC(C)(C)N1,CID648758,,,,,,0.0,,,,,,,,,,,
Cc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)n(-c2ccccn2)n1,CID2999383,0.0,,0.0,,,,,,,,0.0,,,0.0,,0.0,0.0
O=C(COC(=O)c1cc2ccccc2cc1O)NC(=O)NCc1ccco1,CID2475133,,,,,,,,,,,,,,0.0,,,
O=C(CSc1nc(Nc2ccccc2)nc(N2CCOCC2)n1)N1CCc2ccccc21,CID1260102,,,,,0.0,,,,,,,,,,,0.0,0.0
CSc1nc2ccccc2n1CC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O,CID1515698,0.0,,,,,0.0,,,,,,,,,,,0.0
COc1cc(-c2nnc(Cn3cc(C(F)(F)F)ccc3=O)o2)cc(OC)c1OC,CID2561594,,,,,0.0,,0.0,,,,,,,,,,0.0
Cc1cc(C(=O)CSc2nc3ccccc3c(=O)n2C)c(C)n1Cc1ccc2c(c1)OCO2,CID2561590,,,,,0.0,0.0,,,,,,,,,,,0.0
CC(C)C1C(=O)N2CCCC2C2(O)OC(NC(=O)C3C=C4c5cccc6[nH]cc(c56)CC4N(C)C3)(C(C)C)C(=O)N12,CID73453,,,,,,,0.0,,,,,,,,,,
CC1(C)Oc2ccc(C(=O)N3CCCC3)cc2N(CC(=O)NCc2ccccc2)C1=O,CID652028,0.0,0.0,0.0,,0.0,0.0,,,0.0,,0.0,0.0,0.0,,,,
COc1ccc(N2CCN(S(=O)(=O)c3ccc(C(=O)NCc4ccco4)cc3)CC2)cc1,CID652023,,,0.0,,0.0,,,,,,,,,,,,0.0
CC1(C)NC(=O)N(CCOc2cccc(Oc3ccccc3)c2)C1=O,CID973377,,,,0.0,,,0.0,,0.0,,,,,0.0,,,
O=C(NCCCn1ccnc1)c1cc(-c2ccc3c(c2)OCO3)on1,CID3243907,,0.0,0.0,,,,,,,,,,,,,,0.0
CCOc1ncccc1C(=O)Nc1cccc(C(=O)Nc2cccc(S(=O)(=O)CCO)c2)c1,CID3243903,,,,,0.0,,,,,,0.0,,,,,,0.0
CCn1c2ccccc2c2cc(NC(=O)CCCN3C(=O)CCC3=O)ccc21,CID2219829,,,,,0.0,,,,0.0,,,,0.0,,,,
O=C(CCCN1C(=O)CCC1=O)Nc1ccc2c(c1)OCCO2,CID2219820,,,,,,,,0.0,,,,,,,0.0,,
CCOc1ccc2ccccc2c1C(=O)N1CCOCC1,CID1247710,,,,,,,,,0.0,0.0,0.0,,,0.0,0.0,,
COc1cc2c(cc1OC)CN(C(=O)NS(=O)(=O)c1ccc(C)cc1)CC2,CID658736,,,,,,,,,,0.0,0.0,,0.0,,0.0,0.0,
CS(=O)(=O)c1ccc2nc(NC(=O)CCC(=O)c3cccs3)sc2c1,CID2394820,,,,,0.0,,,,,,,,0.0,,,,
O=C1CC(c2ccc(Cl)cc2)SC(N(c2ccccc2)c2ccccc2)=N1,CID4050662,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc2ccccc2n1,CID4542209,,,,,,,,,,,,,,,0.0,,
CN(C)S(=O)(=O)N1CCN(C(=O)N2CCCCC2)CC1,CID973774,,,,,,,,,,,,,0.0,,,,0.0
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C21CCN(Cc2ccccc2)CC1,CID655559,,,,,,0.0,0.0,,0.0,,,,,0.0,,,
Cc1cc(C)nc(N2CCC(CNC(=O)CCc3ccccc3)CC2)n1,CID655557,0.0,0.0,,0.0,,,,0.0,,,,0.0,0.0,,0.0,,0.0
Cc1ccc(S(=O)(=O)C2(C(=O)O)CCCC2)cc1C,CID645807,,,0.0,,,,,0.0,,,,0.0,0.0,,,,
O=C(/C=C/c1ccccc1)N/C(=C/c1ccccc1)C(=O)N1CCCCC1,CID2295931,,,,,,0.0,,,,,,0.0,,,,,
CC(C)C(c1nnnn1C1CCCC1)N1CCN(C(=O)c2ccco2)CC1,CID645804,,0.0,,,,,,,0.0,0.0,,,,,,,
Cc1cc(C)n(CC(O)COc2ccccc2C(=O)Nc2ccccc2)n1,CID645802,,,,0.0,0.0,0.0,,,0.0,,,0.0,0.0,,,,0.0
Cc1ccc(OCC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1,CID3223132,,,,,,,,,,,,,,,0.0,,
CN1C(=O)Cn2c1nc1ccccc12,CID645809,,,,0.0,,0.0,,,,,,,,,,,
CC(C)c1nc(-c2c(N)n(C)c(=O)n(C)c2=O)sc1C(=O)C(C)(C)C,CID2123204,,0.0,,0.0,,,0.0,0.0,0.0,,0.0,,,,,,
O=C(NC1(C(F)(F)F)NC(=O)N(Cc2cccnc2)C1=O)c1cccs1,CID2965054,,,,,0.0,,,,,,,,,,,,
C=CCn1c(=S)[nH]c2sc3c(c2c1=O)CCC3,CID823238,,,,,,,,,,0.0,,,,,,,
CC1=C(C(=O)OCc2ccccc2)C(c2ccco2)N2NC=NC2=N1,CID5308320,0.0,,0.0,,,,,,,,,,,,,0.0,0.0
CC(C)(C)c1ccc(C(=O)NCCC(=O)NCc2ccco2)cc1,CID3243623,0.0,,,0.0,0.0,,,,0.0,,,,,,,0.0,0.0
CC(=O)N1N=C(c2ccc(Br)cc2)OC1(C)CC(=O)Nc1ccccc1,CID4166655,,,,,,,,,,,,,,,0.0,,
Cc1cc(NC(=O)c2cc(-c3ccco3)on2)n(-c2ccccc2)n1,CID3235769,0.0,,,0.0,,,,,,0.0,,0.0,0.0,,,,
CN1C(=O)CSc2ccc(NC(=O)N3CCc4ccccc43)cc21,CID3235768,,0.0,,0.0,0.0,0.0,,,,,,,,,,,0.0
O=C(CCN1C(=O)C2C3C=CC(C3)C2C1=O)NC1CCCc2ccccc21,CID3235764,,,,,,,,,,,,,,,,,0.0
Cc1ccc(CNC(=O)c2sccc2-n2cccc2)cc1,CID3235766,0.0,0.0,,0.0,0.0,0.0,,0.0,,,,,0.0,,,,
O=C1C2CCCN2C(c2cccnc2)N1c1nccs1,CID3235763,,,,0.0,,,,,,,0.0,,,,,,
O=C1CC(=O)N(Cc2ccco2)C(=S)N1,CID891297,,,,,,,,,,0.0,,,,,,,
O=C(NC(=S)N1CCN(C/C=C/c2ccccc2)CC1)c1ccco1,CID1302924,,,,,,,,,,,,,,0.0,,,
O=C(NCC1(c2ccccc2)CCCC1)C(=O)NCC1(c2ccccc2)CCCC1,CID3619234,,,,,,,,,,,,0.0,,,,,
CCOC(=O)N1CCC(Nc2cc(C)nc3c(-c4ccccc4OC)c(C)nn23)CC1,CID5307440,0.0,,0.0,,,,0.0,0.0,,,,,,,,,
O=C(CC1Oc2ccc(Cl)cc2NC1=O)NC1CCCCCC1,CID5307442,0.0,,,,,,,,,,,0.0,,,,0.0,
COc1ccc(CCN(C)C(=O)C2CCCN(Cc3ccc(OC)c(OC)c3)C2)cc1OC,CID3238551,,,,,,,,,,,,,,,0.0,,
O=C1NC(=S)NC(=O)C1=Cc1ccccc1OCc1ccc([N+](=O)[O-])cc1,CID1271400,,,,,,0.0,,,,,,,,,,,
O=C(OCC(=O)N1CCc2ccccc21)c1ccc[n+]([O-])c1,CID2416067,,0.0,0.0,,,,,,,,,,,,0.0,,
Cc1nc([N+](=O)[O-])c(N2CCN(Cc3ccccc3)CC2)n1Cc1ccccc1,CID2939655,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-c2nc(CS(=O)(=O)CC(=O)NCCCN3CCN(C)CC3)c(C)o2)cc1,CID5309648,0.0,,,,,0.0,,,,,0.0,,,,,,
CC(C)(C)c1nc(SCC(=O)Nc2nc3c(s2)CCCC3)c2ccccc2n1,CID1442430,,,,,,0.0,,,,,,,,,,,
O=C(/C=C/c1ccc(N2CCOCC2)cc1)c1ccccc1,CID5349489,,,,,,,,,,,,,,,0.0,,
CCOc1ccccc1C(=O)NN1C(=O)CCC1=O,CID827813,,,,,,,,,,,,,,,0.0,,
Nc1nnc(CCCCc2cccs2)o1,CID2262811,,0.0,0.0,0.0,,,,,,,,,0.0,,,,0.0
Cc1nnc(OCc2nc3ccccc3n2C)c2ccccc12,CID3131353,,,,,,,0.0,,,,,0.0,0.0,,,,
O=c1oc(-c2cccs2)nc2scc(-c3cccs3)c12,CID827818,,,,,0.0,,,,0.0,,,,,0.0,,,
Cc1cc(C(=O)N2CCC(C(F)(F)F)n3nccc32)on1,CID2979011,,,,,,,,,0.0,,,,,,,,0.0
Cc1nnc(SCC(=O)c2cc(C)n(C3CC3)c2C)s1,CID2507482,,,,,,0.0,,,0.0,0.0,0.0,,,,0.0,,
CN1CCN(CC(O)c2ccccc2)CC1,CID223284,,,,,,,,,,,,0.0,,,,,
O=C(Cc1ccc(-n2cccc2)cc1)N1CCc2ccccc21,CID3243138,0.0,,,,,,,,,,,,,,,,
CC(C)c1ccccc1OCC(=O)NC1CCCc2ccccc21,CID4879886,,,,,,,,,,,,,,,0.0,,
CCO/C(O)=C1/C(=O)NC(C)=C(Cl)C1=O,CID6323667,,,,,,,,,,,,,,0.0,,,
Cc1cc(NC(=O)COC(=O)CCCOc2ccc(Cl)cc2C)no1,CID2092344,,0.0,,0.0,,0.0,,,,0.0,,,,,,0.0,0.0
Cc1cc(C(F)F)nn1CC(=O)N1CCSCC1,CID753141,,,,,,,,,,,,,,,0.0,,
Cc1sc2ncnc(Sc3nnc4sc5ccccc5n34)c2c1C,CID2361235,,,,,,,,,0.0,,,,,,,,
c1csc(-c2csc3ncnc(NCCCN4CCOCC4)c23)c1,CID2032709,0.0,0.0,0.0,,0.0,,0.0,,,0.0,,,,,,,
Cc1ccc(N2C(=O)C3C(c4ccccc4)(C2=O)C3(c2ccccc2)c2ccccc2)cc1,CID2929373,,,,,,,,,,,,0.0,,,,,
O=C(CSc1nc2cc(Cl)ccc2s1)NCc1ccc2c(c1)OCO2,CID1505433,,,,,,,,,,,,,,0.0,,,
Cc1[nH]c2ccccc2n2c(=O)c(CC(=O)O)cc1-2,CID598216,,,,,,,0.0,0.0,,,,,0.0,,,,
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NC1CC1,CID700317,0.0,,0.0,0.0,0.0,,0.0,0.0,,0.0,0.0,,0.0,,,,
COc1ccccc1-c1cc(C(F)(F)F)nc(S(=O)(=O)CCCC(=O)N2CCCCC2C)n1,CID3238559,0.0,,,,0.0,,0.0,,,,,,0.0,,,0.0,
Cc1nc(-c2ccccc2)cc(N2CCCC2)n1,CID2057538,0.0,0.0,,0.0,,,,0.0,,,,,,,,,
O=C1c2cc(S(=O)(=O)n3cnc4ccccc43)ccc2-c2ccc(S(=O)(=O)n3cnc4ccccc43)cc21,CID4315114,,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccc(NC(=O)C2CCCCC2)nc1)c1ccccn1,CID1452726,,,,,,,,,,,,,,,0.0,,
NC(=O)c1c(NC(=O)C2CCCO2)sc2c1CCCCC2,CID2932390,,,,,,,,,,,,,,,0.0,,
O=C1CC(c2ccccc2)CC(=O)C1=CNC1CCCCCC1,CID867722,,,,,,,,,,,,,,,0.0,,
Cc1nc2c(-c3ccc(F)cc3)c(C)nn2c(C)c1CCC(=O)N1CCC(Cc2ccccc2)CC1,CID9550744,,,,,,,,,,,,,,,0.0,,
CCOC(=O)C1CCN(C(=O)CCc2c(C)nc3c(-c4ccc(F)cc4)c(C)nn3c2C)CC1,CID9550746,,,,,,0.0,,,,,,,,,,,
CCn1c(=O)cc(OCC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc21,CID3236040,,,,0.0,,,,,,0.0,,,,,,0.0,
CCn1c(=O)cc(SCC(=O)Nc2ccccc2N2CCN(C)CC2)c2ccccc21,CID3236042,0.0,,,,,,,,,,,,,,,,
Cc1occc1-c1nnc(SCc2cc(=O)n3cc(Br)ccc3n2)n1C,CID2536750,0.0,,,,,,,,,,,,,,,0.0,0.0
O=C(NC1(O)C(=O)c2ccccc2C1=O)c1ccccc1,CID3237318,,,,,0.0,,,,,,,,0.0,,,,
CCN1CCN(C(=O)c2ccc3c(=O)n(C4CCCC4)c(=S)[nH]c3c2)CC1,CID3237319,,,,,,,,,,,,,,,,,0.0
O=C(Nc1cccc2ncccc12)c1cc2ccccc2o1,CID952577,0.0,,0.0,0.0,0.0,,0.0,0.0,,0.0,,,,,,0.0,
Cc1n[nH]c(C)c1N1C(=O)c2cccc3c(N4CCCCCC4)ccc(c23)C1=O,CID1347824,0.0,,0.0,,,0.0,,0.0,,,0.0,,0.0,,,,
NC1=Nn2c(nc3c(c2=O)CCCC3)/C1=N/Nc1ccc(Cl)cc1,CID11948768,,,,,,,,,,,,,,,0.0,,
O=C(Cn1c(CN2CCCCC2)nc2ccccc2c1=O)NCc1ccco1,CID644713,0.0,,,,,,0.0,,,,,0.0,,,,,0.0
O=C(/C(=C(/[O-])c1ccccc1)[n+]1ccccc1)c1ccc([N+](=O)[O-])cc1,CID11842224,,,,,,,,,,,,,,,0.0,,
O=C(c1cnccn1)N(Cc1ccco1)C1(C(=O)NC2CCCCC2)CCCCC1,CID4098324,,,,,,0.0,,,,,,,,,,,
c1ccc2oc(-c3ccc(Nc4nc(N5CCCCC5)nc(N5CCOCC5)n4)cc3)nc2c1,CID1306442,,,,,,,,,,0.0,,,,,,,
COn1c(-c2ccccc2)nc2c1CCc1nonc1-2,CID911028,,,,,,,,,0.0,,,0.0,,,,,
N#CCCN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1,CID4117896,,,,,0.0,,,,,0.0,0.0,,,,,0.0,
O=C(CCc1ccccc1)NCc1ccccn1,CID750221,,,0.0,,,0.0,,0.0,0.0,0.0,,,,,,,
CC(C)CNC(=O)c1ccccc1NC(=O)C(c1ccccc1)c1ccccc1,CID1369721,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(NC(=O)COn2nnc3ccc(S(=O)(=O)N4CCOCC4)cc32)cc1,CID2094271,,,,,,,,,,,,,,0.0,,,
Cc1nc2nc(COc3ccccc3)[nH]n2c(=O)c1Cc1ccccc1,CID1851938,0.0,0.0,0.0,0.0,,,0.0,,,,,0.0,,,,,
CC1CCc2cc(F)ccc2N1C(=O)CSc1nnc2c3ccccc3n(C)c2n1,CID3216457,,,,,,0.0,,,,,,,,,,,
Cc1sc(NC(=O)c2sc3nc4c(C)cccc4cc3c2N)c(C#N)c1C,CID1374557,,,,,,0.0,,,,,,,,,,,
c1ccc2c(c1)Cc1cc(CN3CCOCC3)ccc1-2,CID418224,,,,,,,,,,,,,,0.0,,0.0,
Cc1noc2nc(-c3cccs3)cc(-c3nnc4n3CCCCC4)c12,CID2123716,0.0,0.0,0.0,,0.0,,,,,,,,,,,0.0,
O=C(C1CCN(c2nnnn2-c2ccccc2)CC1)N1CCN(c2ccccc2)CC1,CID652213,,,,,,,,,,0.0,,,,,,,
O=[N+]([O-])c1ccc(N2CCCC2)c2ncccc12,CID2829609,,,,,,,,,,,,,,0.0,,,
S=C(Nc1cccc(Cl)c1)Nc1ccccc1Oc1ccccc1,CID1288168,,,,,,0.0,,,,,,,,,,,
O=C(C1CCCO1)N(Cc1ccccc1)c1ccccc1,CID2971005,0.0,,0.0,,,,,,,0.0,,,,,,,
Cc1cccc(C2c3[nH]c4ccccc4c3CCN2C(=O)c2cc(CC(C)C)[nH]c(=O)n2)n1,CID16187921,,,,,,,,,,,,,,,0.0,,
CCCn1c(SCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n[nH]c1=O,CID2081130,,,0.0,,,,,,,,,,,,,,
O=C(CSc1nnnn1C1CCCC1)NCc1ccccc1,CID3228977,,,,,,0.0,,,,,0.0,,,,,,
O=C1c2ccccc2C(=O)C1c1ccnc2ccccc12,CID1207745,,,,,,,,,,,,,,,0.0,,
O=C(NC(=S)Nc1ccc(N2CCOCC2)cc1)c1ccc2c(c1)OCCO2,CID1048332,,,,,,,,,,,,,,,0.0,,
COCCN1C(SCC(=O)Nc2cc(C)on2)=NN/C1=C1\C=Nc2ccccc21,CID5310572,,,,,,,,,,0.0,,,,,,,
O=C(NC(=S)Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccc2c(c1)OCCO2,CID1048331,,,,,,0.0,,,,,,0.0,,,0.0,,
CCCCN1C(=O)/C(=C\c2ccco2)C(=O)N(CCc2ccccc2)C1=O,CID1815367,,,,,,,,,,,,,,0.0,,,
CC1(C)CC2C=C(C=O)C3(C=O)CC3(C)C2C1,CID37839,,,,,,,,,,,,,,0.0,,,
Cc1ccsc1/C=N/NC(=O)Cn1nnc2ccccc21,CID697080,,,,,,,,,,,,,,0.0,,,
O=C(Nn1cnnc1)c1cc2cc(Br)ccc2oc1=O,CID1245243,0.0,,,,,,0.0,,0.0,,,,,,,,0.0
CC(=O)N(Cc1ccc(F)cc1)C1=C(NCCc2ccccc2)C(=O)c2ccccc2C1=O,CID3339005,,,,,,0.0,,,,,,,,,0.0,,
CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)CCN1C(=O)c2ccccc2C1=O,CID1186342,,,,,,,,,,,,,,,0.0,,
O=C(Nc1nc(-c2cccs2)cs1)c1ccc(S(=O)(=O)N2CCCC2)cc1,CID2327228,,,,,0.0,,,,0.0,,,,,,,0.0,
O=C(Cc1cc(=O)[nH]c(=O)[nH]1)NCc1ccccc1,CID2149986,,,,,,,,,,,,,,,0.0,,
NC1=C(c2ccc(F)cc2)C(=O)CS1,CID2376768,,,,,0.0,,,,,,,,0.0,,,,
COc1ccc(C)cc1S(=O)(=O)N1CCCC(C(=O)NCC2CCCO2)C1,CID2974550,,,,,,,0.0,,,,,,0.0,,,0.0,
O=C(OCn1ncc(Cl)c(Cl)c1=O)c1ccccc1Cl,CID1474461,,,,,,,,,,,,0.0,,,,,
Cn1c(=O)c2ncn(CC(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)c2n(C)c1=O,CID1017568,,,,,,,0.0,,,,,,,,,,
Cn1c(=O)c2ncn(CC(=O)Nc3ccc4c5c(cccc35)CC4)c2n(C)c1=O,CID1017560,,0.0,0.0,,,,,,,,,,,,,,
Cc1nn2c(CN(C(=O)c3ccco3)c3ccccc3)nnc2c2ccccc12,CID1248775,0.0,0.0,,,,,,0.0,,,,0.0,,,,,
CC(=O)c1sc2ccccc2c1OC(=O)c1ccco1,CID804965,,,,0.0,,,,,,,,,,,,,
CCOc1ccc(OCC)c(NC(=O)C(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)C(C)C)c1,CID3236471,,,0.0,,0.0,,,,,,0.0,,,,,,
c1ccc(C2(CNc3ccccn3)CCCC2)cc1,CID755102,,,,,,,,,,,0.0,0.0,,,0.0,,
N=c1c2c(n(Cc3ccc(F)cc3)c3c1CCC3)CCC2,CID2857612,,,,0.0,,0.0,,,,,,,,,,,
Cc1nc(-c2cccc(NC(=O)c3cc4cc(Br)ccc4oc3=O)c2)cs1,CID1036059,,,,,,,,,,,,0.0,,,0.0,,
O=C(Nc1cccc(-n2cnnn2)c1)c1ccco1,CID649855,,0.0,0.0,0.0,,,,,,,,,,,0.0,0.0,
CCOC(=O)c1ccc(NC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1,CID5120360,,,,,,0.0,,,,,,,,,,,
O=C(CN1/C(=C(/O)c2ccccc2)C(=O)c2ccccc2S1(=O)=O)c1ccccc1,CID5436342,,,,,,0.0,,,,,0.0,,,,,,
COc1ccc(CN2CC(C(=O)NCCCN3CCOCC3)CC2=O)cc1,CID3242857,,,0.0,,,,0.0,0.0,,,,,,,,,
COc1ccc(C2C(=O)N(C3CCCCC3)CC(=O)N2C2CCCC2)cc1,CID3244164,,,,,,,,,,,,,0.0,,,,
Cc1cc(C(F)F)n2nc(C(=O)Nc3sc4c(c3C#N)CCC(C)C4)nc2n1,CID2946384,,,,,,,,,,0.0,,,,,,,
O=C(CSc1nc(O)c(C2CCCCC2)c(=O)[nH]1)Nc1ccc(Cl)cc1,CID650317,0.0,,0.0,0.0,0.0,,,,,,,,0.0,,,,0.0
O=C(CSc1ncc(-c2ccc(F)cc2)n1Cc1ccco1)Nc1ccc2c(c1)OCO2,CID650316,0.0,0.0,,,,,,,,,,,0.0,,,,
O=C(NCc1cccnc1)NC1CCCCC1,CID650313,,0.0,,,,,,0.0,,0.0,0.0,,0.0,,,0.0,
Cc1cc(N2CCC(C(=O)NC3CCCCC3)CC2)nc(-c2ccccc2)n1,CID650312,0.0,0.0,,0.0,,,,0.0,,,,,0.0,,0.0,,
Cn1nc(C(=O)NCC2CCCO2)c2ccccc2c1=O,CID2957695,,,,,,,,,,,,,,,0.0,0.0,
O=S(NC1CCCCC1)C12CC3CC(CC(C3)C1)C2,CID2853023,,,,0.0,0.0,0.0,0.0,0.0,,,,,,,,,
Cc1c(C(=O)N2CCCC2)oc2c1-c1[nH]ncc1CC2,CID3413463,0.0,,,0.0,,,,,,,,,,,,,0.0
c1csc(Cc2nn3c(-c4n[nH]c5c4CCC5)nnc3s2)c1,CID665824,0.0,0.0,,,0.0,,0.0,,,,,,,,,,
Cn1nnc2cc(C(=O)N3CCC(c4ccccc4)C3)ccc21,CID2949651,,0.0,,0.0,,,,,,,,0.0,,,,,
O=C(Nn1cnnc1)C12CC3CC(CC(C3)C1)C2,CID3120175,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1ccc(CC(=O)c2oc3cc(O)ccc3c2C)o1,CID854591,,,,,0.0,,,,,,,,,0.0,,0.0,
O=C(Nc1ccccc1)c1ccc(=O)n(Cc2cccc(Cl)c2)c1,CID1482971,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C)n1-c1ccc(N2CCOCC2)nc1,CID2941060,,,,0.0,,,,0.0,,,0.0,,0.0,,,,
c1ccc2c(c1)nnn2Cc1nnc2sc(-c3ccncc3)nn12,CID666337,,,,,,,,,,,0.0,,0.0,,0.0,,
COCCNC(=O)c1c(N)n(CCCn2ccnc2)c2nc3ccccc3nc12,CID666332,,,0.0,0.0,,,0.0,,,,,,,,,,
O=C(CO/N=C/c1ccc(OC(F)F)cc1)N1CCc2ccccc21,CID2446018,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1CS(=O)(=O)Cc1ccc(C(=O)NCCCN2CCCC2=O)o1,CID3238723,,,,,,0.0,,0.0,,,,,0.0,,,0.0,0.0
Cc1cc(NC(=O)COC(=O)COc2ccc(C(=O)c3ccccc3)cc2)no1,CID2116593,,0.0,,,,,,,0.0,0.0,,,,,,,
O=c1[nH]c(=O)n(Cc2ccco2)c2c1C(C(F)(F)F)(C(F)(F)F)N=C(C1CCCCC1)N2,CID2304379,,,,,,,,,0.0,,,,,,,,
CCn1c(CCNC(=O)c2ccc(OC)cc2)nnc1SCc1ccc(Cl)c(Cl)c1,CID1247880,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nnc(-c2ccncc2)n1C,CID2106749,,,0.0,,,,,,,,,,0.0,,,0.0,
O=C(Nc1ccc(NC(=O)C2CCCCC2)nc1)c1ccco1,CID1452664,,,,,,,,,,,,0.0,,,0.0,,
O=C(Cc1c(F)cccc1Cl)NCCCN1CCCC1=O,CID2712590,0.0,,,,,,,,,0.0,,,,,,0.0,0.0
COC(=O)c1ccc(CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)o1,CID1151907,,,,,0.0,,,,,,,0.0,,,,,0.0
O=C(Cc1cccs1)N1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1,CID653665,0.0,,,,,,,,0.0,,,,,0.0,,,
O=S(=O)(Cc1ccccc1)N1CCC(c2nc(-c3cccs3)no2)CC1,CID653662,0.0,,,,0.0,0.0,,,,,,,,0.0,,,
N#CC(c1ccc(Cl)cc1)(c1ncc(C(F)(F)F)cc1Cl)N1CCOCC1,CID3304981,,,,,,,,,,,,0.0,,,,,
Cc1c(C(=O)N2CCOCC2)oc2ccc(S(=O)(=O)N3CCCC3)cc12,CID3239857,,,,,,,0.0,0.0,,,,,,,,,0.0
COC(=O)NC1CSCC1OC(=O)CN1C(=O)c2ccccc2C1=O,CID3239854,,,,0.0,,,,,,,,,,,0.0,0.0,
COCCN(C(=O)c1ccco1)C(C(=O)NC1CCCC1)c1cccs1,CID3196588,,,,,,,,,,,0.0,,,,,,
O=C(COC(=O)/C=C/c1cccs1)Nc1nc(-c2ccccc2)cs1,CID2383064,,,,,,,,,,,,,,,0.0,,
Cc1ccc(OCCNC(=O)/C=C/c2ccco2)cc1C,CID5291630,,,,,,,,,,,,,,,0.0,,
CCOc1ncccc1C(=O)Nc1ccc(S(=O)(=O)NC2=NCCCCC2)cc1,CID2572860,,,,,,,,,,,,,,0.0,,,
O=S(=O)(c1ccccc1)N1CC=C(c2ccccc2)CC1,CID723994,,,,,,,,,,,,,,,0.0,,
CN(C)/C=C/C(=O)c1nn(-c2ccc(Cl)cc2)c(=O)n(C)c1=O,CID1471948,,,,,,,,,,,,,,,0.0,,
O/N=C(\CN(O)/C=C1/C=CC=N1)c1cccs1,CID5389061,,,,,,,,0.0,,,,,,,,,
CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C/NCCN1CCOCC1,CID5389062,,,0.0,,,,,,,0.0,,,,,,,
O=C(NC1CCCCC1)c1cc([N+](=O)[O-])ccc1N1CCCCC1,CID2967968,,,,,,,,,,,,0.0,,,,,
O=C1/C(=C/NCCCn2ccnc2)C(c2ccccc2)=NN1c1nc2ccccc2s1,CID5389067,,,,0.0,,,,,,,,0.0,,,,,
CCC1Oc2ccc(C)cc2N(CC(=O)N(Cc2ccc(C)o2)C2CCCC2)C1=O,CID3225064,,,,,,,,,0.0,0.0,,,,,,,
CN(C(=O)c1ccno1)c1nnc(-c2cccnc2)s1,CID651899,,0.0,0.0,0.0,0.0,,,,,,,,,,,,
CC(O)c1ccc2c(c1)OCCOCCN(C)CCOCCO2,CID651898,,,,,0.0,,,,,,,,0.0,,0.0,,
Cc1[nH]c(SCC(=O)NC2CCCC2)nc(=O)c1Cc1ccccc1,CID1084793,,,,,,,,,,,0.0,,,,,,
O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1SC(=S)N1CCCCC1,CID1605551,,,,,,,,,,0.0,,,,0.0,,,
CCCCn1c(SCC(=O)NC(C)CC)nc2ccc(N3CCOCC3)cc2c1=O,CID4109727,,,,,,0.0,,,,,,,,,,,
Cc1nn(C)cc1/C=N/NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccccc1,CID1227726,,,,,,,,,,,,0.0,,,,,
OC1CCCN(Cc2c3ccccc3cc3ccccc23)C1,CID2845863,,,,,,,,,,0.0,,,,,,,
Cc1ccccc1N1C(S)=C(C#N)C(=O)NC1c1cccs1,CID4243437,,,,,,0.0,,,,,,,,,,,
Cc1ccc(/C=N/Nc2nc3ccc(Cl)cc3[nH]2)o1,CID3113084,,,,,,0.0,,,,,,,,,,,
O=C(c1ccccc1CCc1ccccc1)N1CCOCC1,CID1255389,0.0,0.0,,,,,0.0,0.0,,,,,,,,,
COCC1=NNC(=O)/C1=C/Nc1ccc(Oc2ccccc2)cc1,CID6346519,,,,,,,,,,0.0,,,,,,,
COC(=O)c1sccc1NN/C=C1\C=CC=C(OC)C1=O,CID6183030,,,,,,,,,,,,,,,0.0,,
CC(=O)OCC1OC(c2ccccc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CID3453887,,,,,,,,,,,,,,0.0,,,
O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCc2ccccc2C1,CID1085680,,,,,,,,,0.0,,,,,,,0.0,0.0
Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2C2CCCC2)no1,CID1305053,,,0.0,0.0,,0.0,,0.0,0.0,,0.0,,,,,0.0,0.0
Cn1c(N/N=C/c2cccs2)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C,CID2815021,,,,,,,,,,,,,,,0.0,,
CC1=[N+]([O-])C(C)(C)CC(C)(C)c2ccccc21,CID664741,,,,,,,,,,,,,,,,0.0,
CC1(C)CC(=O)C2=C(C1)OC(/N=C/N1CCOCC1)=C(C#N)C2c1ccccc1,CID664746,0.0,,0.0,,0.0,,0.0,0.0,0.0,,0.0,0.0,0.0,,,,
N#Cc1nc(COc2ccc(-c3ccccc3)cc2)oc1NCc1cccnc1,CID664749,0.0,,,,,,,0.0,,,,,,,0.0,,0.0
CCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1,CID2157361,,,,,,,,,,,,,,0.0,,,
CCCN(CCC)CCCNC(=O)c1ccc2c(c1)N(CC)C(=O)c1ccccc1S2=O,CID3244309,,,,0.0,,,,,,,,,0.0,,,,
Cc1n[nH]c(=S)n(/N=C/c2ccccn2)c1=O,CID687659,,,,0.0,,,,,,0.0,,,,,,,
Cc1ccc(-c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c3ccccc3n2)o1,CID1022894,,,,,,,,,,,,0.0,,,,,
COc1ccc(-n2nc(C(=O)NCC(=O)NCc3ccc(F)cc3)c3ccccc3c2=O)c(OC)c1,CID11957248,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1oc2ccccc2c1CN1CCN(C(=O)c2ccccc2)CC1,CID1088156,0.0,,,0.0,,,,0.0,0.0,0.0,,,0.0,,,,
Cc1cc(-c2nc3c4c5c(sc4ncn3n2)CCCC5)n(C)n1,CID866817,,0.0,,,0.0,,,,,,,,,,,,0.0
CCC(C)(C)n1nnnc1C(c1cc2cc(C)cc(C)c2[nH]c1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID3182963,,,,,,,,,,0.0,,,,,,,
CC(C(=O)N1CCC2(CC1)OCCO2)C1Sc2ccccc2NC1=O,CID3236732,,,,0.0,,,,,,,,,,,,,
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)c1cccs1,CID5349512,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1oc2ccccc2c1NC(=O)Cc1cccs1,CID3239005,0.0,0.0,,0.0,0.0,0.0,,,,,,,,,,,
CCOC(=O)N1CCC(NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)CC1,CID3239006,,,,,,,0.0,0.0,0.0,,,0.0,,,,0.0,
COc1ccc(C(NC(=O)c2cccnc2)c2cc(Cl)c3cccnc3c2O)cc1OC,CID2896669,,,,,,0.0,,,,,,,,,,,
COc1cc(/C=N/NC(=O)CCC(=O)NC2CCCCC2)ccc1C,CID567986,,,,,,,,,,,,,,,0.0,,
O=C(Oc1ccc2c(c1)OCO2)c1cc2c(s1)CCC2,CID2561414,,,,,,0.0,,,,,,,0.0,0.0,,,0.0
CC1=C(C(=O)Nc2ccccc2)C(c2ccc(C)cc2)N=C(Nc2nc3ccccc3o2)N1,CID2967155,,,,,,0.0,,,,,,,,,,,
O=C(c1ccc(N2CCCC2=O)cc1)N1CCCCCC1,CID3241410,0.0,,,,,0.0,,0.0,,,,0.0,,,,,
N/C(=N\N=C\c1cccc(O)c1)c1nonc1N,CID2202913,,,,,,,,,,,,,,0.0,,,
CC1(C)CC(NC(=O)C23CCC(C)(C(=O)C2)C3(C)C)CC(C)(C)N1,CID2920504,,,,,,0.0,,,,,,,,,,0.0,
COc1ccccc1Cn1c(=O)c2ccccc2n2c(SCc3csc(C)n3)nnc12,CID2591640,,,0.0,,,0.0,0.0,,,,0.0,,,,0.0,,0.0
Cc1nc(NC(C)c2ccccc2)c2oc3ccccc3c2n1,CID664914,,0.0,,,,0.0,0.0,,,,,0.0,,,,0.0,
O=C(CN(CC1CCCO1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1)NC1CCCCC1,CID645304,,,,,,,,,,,,0.0,,,,,
O=C(CCn1nc(-c2ccccc2)ccc1=O)NCCCN1CCCCCC1,CID3241002,0.0,0.0,,,,,0.0,0.0,,,0.0,0.0,0.0,,,,0.0
O=C(COC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)NC1CC1,CID2365802,0.0,0.0,,0.0,0.0,0.0,,,,,,,0.0,0.0,,,
Cn1c(=O)oc2cc(S(=O)(=O)NCCC(=O)N3CC=C(c4ccccc4)CC3)ccc21,CID3241000,,,0.0,,0.0,,,0.0,,,,,,,,,0.0
CCN1CCCC(OC(=O)Nc2ccccc2)C1,CID658130,,,0.0,0.0,,,,0.0,,0.0,,,0.0,,,,
O=S(=O)(c1ccc2oc3ccc(S(=O)(=O)N4CCCC4)cc3c2c1)N1CCCC1,CID2943717,,,,,0.0,,0.0,,0.0,,0.0,,,,,,
CCOC(=O)c1c(N)sc2c1CCC1C(=O)N(C3CCCCC3)C(=O)C21,CID658134,,,,,,,0.0,0.0,,,,,,,,,0.0
c1ccc2c(CNC3CCCCC3)c[nH]c2c1,CID96438,,,,,,,,,,,,0.0,,,,,
O=C1CSC(c2ccco2)N1,CID3428586,,0.0,,,0.0,,,,0.0,,,,,,,,
COc1nc(NCc2cccnc2)nc(OC)n1,CID672420,,0.0,,0.0,,,0.0,,0.0,,,0.0,0.0,,0.0,,
O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCN=C1SCc1cccnc1,CID3474759,,0.0,,,0.0,,,,0.0,,,,,,,,
COc1ccc(S(=O)(=O)N2N=C(C)Oc3ccccc3C2=O)cc1,CID1473016,,,,,,0.0,,,0.0,,,0.0,,0.0,,,
O=S1(=O)c2cccc3cccc(c23)N1Cc1nnc(-c2ccccc2Br)o1,CID2366890,0.0,,,,,,0.0,,0.0,,,,,,,,0.0
CC(C)C(NC(=O)OCc1ccccc1)C(=O)OCC(=O)NC1CCCCC1,CID9552016,,,,,,0.0,,,,,,0.0,,,,,
CCc1ccc(C(=O)COC(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1,CID1214016,,,,,,0.0,,,,,,,,0.0,,,
O=C1C=C/C(=C/NNc2nccs2)C=C1[N+](=O)[O-],CID9552014,,,,,,,,,,,,1.0,,,,,
Cc1oc2c(c1C(=O)NC(Cc1c[nH]c3ccccc13)C(=O)O)CCCC2,CID3143340,0.0,,0.0,,0.0,,,,0.0,,0.0,0.0,,,,,0.0
O=C(O)CC1S/C(=N/NC2=c3ccccc3=NC2=O)N(c2ccc(O)cc2)C1=O,CID5348650,,,,,,0.0,,,,,,,,,,,
Cc1cc(NC(=O)CSc2nnc(-c3ccco3)n2CC2CCCO2)no1,CID645433,,,0.0,,,0.0,,0.0,,,0.0,,,,,,
Cc1cc(C)c(NC(=O)CO/N=C2\CCCc3nonc32)c(C)c1,CID709314,,,,,,,,,,,,,,,0.0,,
O=C(c1ccc(Br)o1)N(c1ccccn1)C1CCCCC1,CID710625,,,,,,,,,,,,,,,0.0,,
O=S(=O)(N/C(=N/C1CCCC1)C(F)(F)F)c1ccccc1,CID1587622,0.0,0.0,,,0.0,,,,,0.0,,,,,,,0.0
CSCCC1C(=O)OC2(C)CC(C)(C)NC(=S)N12,CID3803131,,,,,,,,,,0.0,,,,,,,
COc1ccccc1CNC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1,CID2093497,,,,,,0.0,,,,,,,,,,,
O=C(CN1CCN(c2ccccc2)CC1)Nc1c(C(=O)C2CC2)oc2ccccc12,CID660476,0.0,,,,,,0.0,,0.0,0.0,0.0,0.0,,,,,0.0
Cc1cc(C)nc(SCC(=O)OCN2C(=O)c3ccccc3C2=O)n1,CID1119888,,,0.0,,,,0.0,,,0.0,0.0,,,,,,0.0
COc1ccc(COC(=O)c2nc3nc(C)cc(C)n3n2)cc1F,CID2087849,,,,,,,,0.0,,,,,,,,,
CNc1nc2sc3c(c2c(=O)n1C)CC(C)(C)SC3,CID662835,0.0,,,,,,0.0,,,,,,,,,,
Cc1nc2ccc(NC(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)cc2s1,CID2094919,,,,,,,,,,,,,,,0.0,,
O=C(NCCCN1CCOCC1)C1(c2ccccc2)CCOCC1,CID662833,,0.0,,,,,,,0.0,,,,,,,,
Cc1cccc(NC(=O)CCCSc2nc3ccccc3[nH]2)c1,CID2094910,,,,,,,,,,,,,,0.0,,,
Cc1ccc2c(CSc3nnc4ccccn34)cc(=O)oc2c1C,CID2622645,,,,,,,,,,,,,,0.0,,,
O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1n[nH]c(=O)c2ccccc12,CID2120852,,,,,0.0,,,,,0.0,,,,,,,0.0
COc1ccc2oc(C(=O)OCC(=O)c3ccc4c(c3)OCCO4)c(C)c2c1,CID2078656,,,,,,0.0,0.0,,,,,,,,,,
O=C(NCCCN1CCCC1=O)c1ccc2c(c1)NC(=O)c1ccccc1S2,CID9551335,,,,,,,,,0.0,,,,,,,,
CCOC(=O)C1=C(C)NC(=O)C1CC(=O)Nc1ccccc1,CID657612,0.0,,0.0,,0.0,,0.0,,,,,,,,,,0.0
O=C(C1CCN(c2ccc(N3CCOCC3)nn2)CC1)N1CCc2ccccc2C1,CID3243074,0.0,0.0,,,,,,,,,,,0.0,,,,
O=C(CNC(=O)c1cc2ccccc2o1)NCc1cccs1,CID3243075,,0.0,,,0.0,,,,,,,,,,,0.0,
COC(=O)c1cn(NC(=O)c2cccnc2)c(=O)c2ccccc12,CID3236769,,,0.0,,,,,,,,,,0.0,,,,
CN1C(=O)NC(NC(=O)c2ccncc2)(C(F)(F)F)C1=O,CID662292,,,,,,,,,0.0,,,,,,,,0.0
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NCC1CCCO1,CID662297,,,,,,,,0.0,,,,,,,0.0,,
O=C(c1cccc(F)c1)N1CCCC(C(=O)N2CCCC2)C1,CID662296,,,,,,0.0,,0.0,,,,,,,,,
O=C(NCCCN1CCOCC1)c1cc2c(s1)CSC2,CID3236764,,0.0,,,0.0,,0.0,,,0.0,,,0.0,,,,
Cc1cc(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)c(C)n1Cc1ccc2c(c1)OCO2,CID2531382,,,0.0,,0.0,,0.0,,0.0,0.0,,0.0,0.0,,,,
CN(C)C(CNC(=O)Nc1cccc(Cl)c1)c1cccnc1,CID3236766,0.0,,,,,,0.0,,,,,,,,,,0.0
COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)C1CC1,CID3236767,,0.0,,,,,,,,,,,,,,0.0,
Cc1ccc(C(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)cc1,CID3851618,,,,,,0.0,,,,,,,,,,,
O=C(Cc1c(O)[nH]c2ccccc2c1=O)NC1CCCCCCC1,CID657602,0.0,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1)c1cccs1,CID2215718,,,,,,,,,,0.0,,,,0.0,0.0,,
CCn1cc(C(=O)NC2CCCC2)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21,CID3245026,,,,0.0,0.0,,,,,,0.0,,0.0,,,0.0,
CC1CCN(CCCNC(=O)c2n[nH]c(=O)c3ccccc23)CC1,CID3244994,,0.0,,,,0.0,,0.0,,,,,,,,0.0,
COc1cccc(-n2c(SCC(=O)NCCC3=CCCCC3)nc3nnc(C)c-3c2N)c1,CID3244995,,,,,0.0,,,,,,,,,,,0.0,
O=C1CCC(=O)N1CN(Cc1ccco1)CN1C(=O)CCC1=O,CID661739,,,,,,,,0.0,,,,,,,,,
N/C(=N\c1nc(=O)c2c([nH]1)CCCC2)Nc1ccccc1Sc1ccccc1,CID9550061,,,,,,,,,,,,0.0,,,,,
Brc1ccc(-c2nn3c(-c4ccncc4)nnc3s2)o1,CID662282,,,,,,,,,0.0,,,,,,,0.0,
C/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(C)o1,CID3534975,,,,,,,,,,,,,,,0.0,,
Cc1ccc(Nc2nnc(SCC(=O)NC3CCCc4ccccc43)s2)cc1,CID15945166,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccc(-c2ccco2)n1Cc1nc(-c2ccc(OC)c(OC)c2)oc1C,CID3236778,0.0,,,,,,,,,,,,,,,,
COC(=O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)OC,CID345469,,,,,,,,,,,,,,0.0,,,
C=CCn1c(SCC(=O)c2ccccc2)nnc1-c1ccc2c(c1)OCO2,CID660574,,,,,0.0,,,0.0,,,0.0,,0.0,,,0.0,0.0
COC(=O)C1=C(C)N=C2N=NNN2C1c1ccco1,CID5741573,,0.0,,,,,,,,,,,,,,,
CCN1C(=O)S/C(=C\Nc2ccccc2)C1=O,CID5559373,,,,,,,,,,,,,,0.0,,,
O=c1c2c(nc3cc(-c4cccs4)[nH]n13)CCCC2,CID798574,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1,CID790454,,,,,,0.0,,,,,,,,,,,
Nc1c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc2n1Cc1ccc2c(c1)OCO2,CID663988,,,,0.0,0.0,0.0,,,0.0,,,,,,,,
Cn1c(Cc2cccs2)nnc1SCC(=O)N1CCc2ccccc21,CID989299,0.0,,0.0,,0.0,,0.0,,0.0,0.0,,,0.0,0.0,0.0,,0.0
O=C(O)c1ccc(NC(=O)c2ccccc2NC(=O)c2cccs2)cc1,CID2264891,,,,,,0.0,,,,,,,,,,,
NS(=O)(=O)c1ccc(CCNC(=O)CN2CCCCCC2)cc1,CID2500491,,,,,,,,,,,,,,,0.0,,
O=S(=O)(c1cccc(-c2nnc(SCc3nc4ccccc4s3)o2)c1)N1CCOCC1,CID2401066,,,,,0.0,,,,,,,0.0,,,,,
NC(=O)NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)n1CC1CCCO1,CID4882314,,,,,,,,,,,,0.0,,,,,
O=c1c2ccccc2n2c(-c3ccc(F)cc3)nnc2n1Cc1ccccc1,CID7125864,,,,,,,,,,,,,,0.0,,,
CCCN(CC1CC1)C(=O)Nc1ccccc1C,CID2243148,,,0.0,0.0,0.0,,0.0,0.0,,0.0,,,0.0,,,0.0,
O=c1nc(N2CCOCC2)ccn1Cc1ccc(Br)cc1,CID1303068,0.0,,,,,,0.0,,,,,0.0,,,,,0.0
c1ccc(COn2nnc3ccccc32)c(COn2nnc3ccccc32)c1,CID1241177,,,0.0,,,,,,,,,,,,0.0,,
CCN1CCN(C(c2ccc(F)cc2)c2nnnn2Cc2cccs2)CC1,CID647074,0.0,,,,0.0,,,,,0.0,0.0,,,,0.0,,
CCN1CCN(Cc2ccc(NC(=O)Nc3cccs3)cc2)CC1,CID3240500,,,,,,,,0.0,,,0.0,,,,0.0,,
O=C(NCC1CCCO1)c1ccc2c(=O)n(CCc3ccccc3)c(=O)[nH]c2c1,CID3240505,,,,,,,,,0.0,,,0.0,,,,,
CN(C(=O)CSc1nc(=O)c2c([nH]1)CCCC2)C1CCCCC1,CID3240507,,,,,0.0,,,0.0,,0.0,0.0,,0.0,,,0.0,
CCOc1ccc(C(=O)NC(=S)NC2CCCC2)cc1[N+](=O)[O-],CID799130,,,,,,,,,,,,,,0.0,,,
S=c1[nH]nc(-c2ccccc2)n1C1C=CCCC1,CID2906489,,0.0,,,,,,,,,,,0.0,,,0.0,0.0
CN1CCN(C(=O)Nc2ccc3c(c2)OCCO3)CC1,CID1474775,,,,,,,,,,,,0.0,,,,,
CCCCC1CC(C)(C(=O)CSc2nc3ccccc3s2)OC1=O,CID2865033,,,,,,,,,,,0.0,,,,,,
CCCCCOCC1CC(C/C(C)=N/Nc2nc(-c3ccccc3)cs2)C(=O)O1,CID2865032,,,,,,0.0,,,,,,,,,,,
O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)N1CCN(Cc2ccccc2)CC1,CID1152583,0.0,,,,0.0,,,,,0.0,,,,,,,
Cn1c(NCCN2CCOCC2)nc2c1c(=O)n(Cc1cccc(Cl)c1)c(=O)n2C,CID666859,0.0,,,,,,,,,,,,0.0,,,,
Cc1nc(N2CCN(Cc3ccccc3)CC2)nc2c1C(=O)CC(c1ccco1)C2,CID666857,0.0,,,,,,0.0,,,0.0,,,,,,,
O=C1NC(=O)C2(Cc3ccccc3N3CCCC32)C(=O)N1Cc1ccccc1,CID666854,,,,0.0,0.0,,0.0,0.0,,,,,,,,,
O=C(NCCCN1CCCC1=O)c1nnc(Cc2c(F)cccc2Cl)o1,CID666851,0.0,,0.0,,,,0.0,,,,,,,,0.0,,
CCOc1ccc(/C=N/NC2=c3ccccc3=NC2=O)cc1,CID5339366,,,,,,0.0,,,,,,,,,,,
CC(C)(C)c1ccc(-c2nnc(SCCN3C(=O)c4ccccc4C3=O)o2)cc1,CID2767856,,,,,,0.0,,,,0.0,,,,,,,
COc1ccc(N2CCN(c3nc(NCCO)nc(N4CCOCC4)n3)CC2)cc1,CID2931318,,,0.0,,,,,,,0.0,,,0.0,,,,
O=C(CN1CCOCC1)Nc1c(-c2ccccc2)c2cc(Br)ccc2[nH]c1=O,CID1119291,0.0,,,,,,,,0.0,,0.0,0.0,,,,,
O=C(CCN1CCOCC1)Nc1c(-c2ccccc2)c2cc(Br)ccc2[nH]c1=O,CID1119292,0.0,,,,,,0.0,,0.0,,0.0,,,,,0.0,0.0
Cn1cc(C(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)c2c3ccccc3n(C)c2c1=O,CID3245055,0.0,0.0,,,,,,,0.0,,,,,,,,
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ncn[nH]1,CID2344799,,0.0,,,,,,,,,,,,,0.0,,
O=C(Cc1ccc(-n2c(=S)[nH]c3ccccc3c2=O)cc1)N1CCC(N2CCCCC2)CC1,CID4163344,,,,,,,,,,,,0.0,,,,,
Cc1ccccc1C(=O)NCc1nnc(SCC(=O)N2c3ccccc3Sc3ccccc32)n1C,CID1315872,,,,,,,,,,0.0,,0.0,,,,,
Oc1ccc2c(c1)C1CCCC1(N1CCOCC1)O2,CID621531,,,0.0,,,,,,,,0.0,,,,,,0.0
O=C(CCc1nc2ccccc2[nH]1)Nc1ccc2c(c1)OCO2,CID3240074,0.0,,0.0,0.0,,,,,0.0,,,0.0,,,,,0.0
O=C(Nc1ccc2c(c1)nc1n2CCOC1)c1ccco1,CID666277,,0.0,0.0,0.0,,,,,0.0,,,0.0,,,,,
Cc1cc(OC(=O)Cc2cccc3ccccc23)c([N+](=O)[O-])c(=O)[nH]1,CID7150699,,,,,,,,,,,,,,,0.0,,
COC(=O)c1ccc(CSc2nnc(CNC(=O)COc3ccc(Cl)cc3)o2)o1,CID3244989,,,,,0.0,,,,,,,,,,,,0.0
Cc1nccn1CCc1n[nH]c(=S)n1Cc1ccccc1,CID3239799,,,,0.0,0.0,,,,,,,,,,,0.0,
N#Cc1c(SCC(=O)N2CCCCC2)nsc1SCC(=O)N1CCCCC1,CID1990347,,,,,0.0,,,,0.0,,,,,,,,
N#Cc1c(SCC(=O)N2CCOCC2)nsc1SCC(=O)N1CCOCC1,CID1990349,,,,,0.0,,,,0.0,,,,,,,,
COc1ccc(CCNC(=O)COC(=O)COc2ccc(Cl)cc2)cc1OC,CID1662563,,,,,,,,,,,,,,,0.0,,
COc1ccc(CNC(=O)OCCN2CCN(Cc3ccccc3)CCC2=O)cc1,CID9547747,,,,,,,,,,,,,,,0.0,,
c1cc2c(cc1Oc1nc(N3CCOCC3)nc(N3CCOCC3)n1)OCO2,CID2301984,,,,,,,0.0,,,,,,,,,,
Cc1cc(C)n2nc(C(=O)Nc3ccc4c(c3)OCO4)nc2n1,CID2088501,,,,,,,,,,0.0,,,,,0.0,,0.0
O=C1CC(N2CCN(c3ccccc3)CC2)C(=O)N1CCc1ccccc1,CID2853382,,,0.0,,,0.0,,,,0.0,0.0,,,,,,
CCc1ccc(CCC(=O)Nc2sc3c(c2C#N)CCCC3)o1,CID944686,,,,0.0,0.0,,,0.0,0.0,,,0.0,,,,,0.0
COc1ccc(N2CCN(c3cc(C)c4ccc(=O)cc-4[nH]3)CC2)cc1,CID6324543,,,,,,,,,,,,,0.0,,0.0,,
Cc1cc2c(cc(C(=O)NCc3cccnc3)n2Cc2ccc(Cl)cc2)o1,CID3238684,0.0,,,,,,,,,,,,,,,0.0,
COc1ccc(CC(=O)Nc2c3c(nn2C(C)(C)C)CS(=O)C3)cc1,CID2160302,,0.0,,,,,,,,,,,,,,,
COc1ccc(CN(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C(=O)NC2CCCCC2)cc1,CID654836,,0.0,,0.0,,,,,,,,0.0,,,,,0.0
O=C(NC1CC1)C1CCCN(C(=O)Nc2ccc(F)cc2)C1,CID654837,,,,,,,,0.0,,,,,,,,,
O=C(CN(C1CC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)Nc1ccccc1,CID654833,,,,,,,,,,,,,0.0,,,,
O=C(c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1)N1CCN(c2ccccn2)CC1,CID5216019,0.0,,,,,,,,,,,,,0.0,,0.0,0.0
O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)N1CCOCC1,CID5310584,,,,,,,,0.0,,0.0,,,,,,,0.0
CCOC(=O)C1CCCCC12C(C#N)=C(N)Oc1n[nH]c(C)c12,CID646470,,,,,,,,0.0,,0.0,,0.0,,,,0.0,
O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)NCc1ccccn1,CID5309209,,,0.0,0.0,,,,,,,,,0.0,,,0.0,
CCn1cc(C(=O)NC2CCCCCC2)c(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc21,CID5309206,,,,,,,,0.0,,,,,0.0,,,,
Cn1c(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc2c(=O)n(C)c3ccccc3c21,CID5309207,0.0,,,,,,,0.0,,,,,,,,,
CCn1c(=O)cc(OCC(=O)Nc2ccccc2N2CCN(C)CC2)c2ccccc21,CID5309200,0.0,,0.0,,,0.0,,,,,0.0,,,,,,
CCN1CCN(CCCNC(=O)c2ccc3c(c2)NC(=O)c2ccccc2S3)CC1,CID5309201,,,0.0,,,,,,,,,,0.0,,,,
O=C(CCCCCCN1C(=O)c2ccccc2C1=O)NC1CCCCC1,CID3148604,,,,,,,,,0.0,,0.0,,,,,,
c1ccc(Cn2nnnc2C(c2ccccn2)N2CCOCC2)cc1,CID647853,,0.0,0.0,,,,,,,,,0.0,,,,,
COCCCN1C(=O)/C(=C/c2c(NCCc3ccccc3)nc3c(C)cccn3c2=O)SC1=S,CID2891847,,,,,,0.0,,,,,,,,,,,
O=C(c1cccs1)N1CCn2c1nc1ccccc12,CID647851,,,,,,0.0,,,,0.0,0.0,,,,,,
O=c1[nH]c2cc3c(cc2cc1C(c1nnnn1CC1CCCO1)N1CCCC1)OCO3,CID647856,,,0.0,,,,,,,,,,0.0,,,,
Cc1ccc(S(=O)(=O)Cn2nnnc2C(C(C)C)N2CCSCC2)cc1,CID647859,0.0,0.0,,0.0,0.0,0.0,0.0,,0.0,,,,0.0,,,,
COc1cc(/C=N/N2CCOCC2)ccc1OC(=O)c1ccco1,CID2378275,,,,,,,,,,,,,,0.0,,,
O=C1c2ccccc2C(=O)N1CCc1nc2ccccc2c(=O)n1Cc1ccco1,CID1366616,,,,,0.0,,,,0.0,,,0.0,0.0,,,,
O=C(Oc1cc(=O)oc2ccccc12)c1cccnc1Cl,CID900989,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C1=C(C)NC2=C(C(=O)C(C(=O)OCC)C(c3ccco3)C2)C1c1ccccn1,CID2969673,,,0.0,,,,,,,,,,,,,,0.0
COc1ccccc1NC(=O)CSC1CC(=O)N(c2ccc3c(c2)OCO3)C1=O,CID2969670,,,,,0.0,,,,,0.0,0.0,,,,0.0,0.0,
CC(=C1C(=O)c2ccccc2C1=O)N1CCN(c2ccccn2)CC1,CID945763,0.0,0.0,0.0,0.0,,,,0.0,,,0.0,,0.0,,,,
CC(=O)C1=C(C)N(Cc2ccccc2)C(=O)NC1c1cccs1,CID9548422,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccc(Cl)cc1)NC1CCCC1Cc1ccco1,CID658489,0.0,,,0.0,,,0.0,,,,,,0.0,,,0.0,
COc1ccc2c(c1)c1c(n2C(C)=O)C(OC(C)=O)=NCC1,CID757425,,0.0,0.0,,,,0.0,,,,,,,,,0.0,
Cc1cc(NC(NC(=O)c2ccco2)(C(F)(F)F)C(F)(F)F)no1,CID658481,,,,,,,,,0.0,,,,,,,,0.0
CCn1c(=O)c2c(cnn2C)c2ccccc21,CID658480,,,0.0,,,,,,,,,,0.0,,,,
COC(=O)c1ccccc1OCc1cccc(C)n1,CID658483,,,0.0,,,,,,0.0,,0.0,,,0.0,,,
O=C(O)c1nonc1-c1nonc1C(=O)O,CID658484,,,,,,,,,0.0,,,,,,,,
O=C(c1ccc(-n2cnnn2)cc1)N(C1CCCCC1)C1CCCCC1,CID1151687,,,,,,,,,,,,,,,0.0,,
O=C1c2ccccc2C(=O)N1Cc1nc2ccccc2c(=O)n1Cc1ccco1,CID653365,,,,,0.0,,,,,,,,,,,,
COc1ccc(NC2CS(=O)(=O)CC2NCc2ccco2)cc1,CID653364,,,,,0.0,,,,,,0.0,,,0.0,,,
O=S(=O)(c1ccc(NCC2CCCCC2)nc1)N1CCOCC1,CID2548120,0.0,,,,0.0,,0.0,0.0,,0.0,,0.0,,,,,
Cc1nc(NC(=O)CSc2nnnn2Cc2ccccc2)sc1C,CID653360,0.0,0.0,,0.0,0.0,0.0,0.0,,,,,,,,,0.0,
CC1(C)CC=C(NNC(=O)c2cccnc2)C(=O)C1,CID2325654,,,,,,,,,,,,,,0.0,,,
COc1ccc(/C=C/C(=O)NCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)cc1,CID1906206,,,,,,,,,0.0,,,,,,,,
CC1CCCC(N2C(=O)NC(NC(=O)c3ccco3)(C(F)(F)F)C2=O)C1C,CID663397,0.0,,,,,,,,,,,,,,,,0.0
Cc1ccc(C)c(-n2nnnc2SCC(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)c1,CID2530144,,0.0,,,0.0,,,,,,0.0,,,,,,
CN(c1ccccc1)S(=O)(=O)c1cc(C(=O)c2nccn2C)ccc1Cl,CID2999895,0.0,0.0,0.0,0.0,0.0,0.0,,,,,,0.0,0.0,,,0.0,0.0
CC1Cc2ccccc2N1C(=O)Cn1nc(C(=O)O)c2ccccc2c1=O,CID2999896,,,,,,,,0.0,,,0.0,,,,,,
O=C1CN(C(=O)CC2c3ccccc3-c3ccccc32)CC(=O)N1,CID867647,,,,,,,0.0,,,,0.0,,0.0,,,,0.0
O=C(CSc1ccc2c(c1)OCCO2)NCC1CCCO1,CID2999899,,0.0,0.0,0.0,0.0,,0.0,0.0,0.0,,,0.0,,,,,
C/C(=N\Nc1nc2ccccc2[nH]1)c1ccc2c(c1)OCCO2,CID4841430,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)n2c3ccc(Cl)cc3c3nc(C)sc32)cc1,CID1974294,,,,,,,,,,,,,,0.0,,,
CCOc1cc(/C=N/NC(=O)Cn2nc([N+](=O)[O-])cc2C)ccc1OCc1cccc2ccccc12,CID1974290,,,,,,0.0,,,,,,0.0,,,,,
COc1cccc(C(=O)Nc2cccc(C(=O)NC3=NN(c4c(Cl)cc(Cl)cc4Cl)C(=O)C3)c2)c1,CID1048530,,,,,,,,,0.0,,,,,,,,
COC(=O)/C=c1\sc2nc3ccccc3n2c1=O,CID2798585,,,,0.0,,,,0.0,,,,,,,,,
Cc1ccc(Nc2nnc(SCC(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)s2)cc1,CID2352949,,,,,,,,,,,,0.0,,,,,
Nc1nc2nccc(-c3ccccn3)n2n1,CID2767335,,,,,,,,,,,,,,,0.0,,
O=C1C(c2ccccc2)S/C(=N\c2ccccc2)N1S(=O)(=O)c1ccccc1,CID4550436,,,,,,,,,,,,,,,0.0,,
Nc1ccc2oc(-c3cccc4ccccc34)nc2c1,CID650480,0.0,,,,,0.0,0.0,0.0,,,,0.0,,,,0.0,
O=C(C1CCCCC1)N1CCC(c2nc3ccccc3[nH]2)CC1,CID650482,0.0,0.0,0.0,0.0,,,0.0,0.0,,,,0.0,0.0,,,,0.0
CCOc1ccc(Nc2[nH]c(=O)sc2C=C2C=CC(=O)C=C2)cc1,CID5398488,,,,,,0.0,,,,,,,,,,,
Cc1cn(COC/C=C/c2ccccc2)c(=O)[nH]c1=O,CID2330317,,,0.0,0.0,,,,,,0.0,,,0.0,,0.0,,
CCC1C(=O)C(c2ccccn2)=C(N)N1c1ccccc1,CID2999273,,,,0.0,,,,,,,,,,,,0.0,
CC1Cc2ccccc2N1C(=O)COc1cccc(-n2cnnn2)c1,CID2999274,,,0.0,0.0,,0.0,,,,,,,0.0,,,,
CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)c1ccc2c(c1)OCCO2,CID2999276,,,,,0.0,,,,0.0,,,,,,0.0,,
O=C(Cc1ccccc1)NC(Cc1ccccc1)c1nc2ccccc2[nH]1,CID2441817,,,,,,0.0,,,,,,,,,,,
S=c1nc(C2COc3ccccc3O2)[nH][nH]1,CID2835294,,,,,,,,,,,,,,0.0,,,
O=C(Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1)c1ccc2c(c1)OCCO2,CID4378441,,,,,,0.0,,,,,,,,,,,
N#CC1=C(N)SC2(CCCCC2)SC1c1ccccc1,CID604514,,,,,,0.0,0.0,,,,,,,,,,
Cc1noc(C)c1COC(=O)c1ccc2c(c1)OCCO2,CID2432301,,0.0,,,,,,,0.0,0.0,,,0.0,,0.0,,
O=C(CC1Nc2ccccc2NC1=O)NCC1COc2ccccc2O1,CID3243506,,,0.0,,,,,,,,,,,,,,
CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)NCC2COc3ccccc3O2)CC1C,CID3243508,,,,,,,,,0.0,,,,,,,,
O=C1c2cc(S(=O)(=O)Nc3ccncc3)ccc2-c2ccc(S(=O)(=O)Nc3ccncc3)cc21,CID3122140,,,,,,0.0,,,,,,,,,,,
O=C1NC(c2ccncc2)Nc2sc3c(c21)CCCC3,CID3242605,,0.0,,,,,,0.0,,0.0,,,,,,,0.0
O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(S(=O)(=O)N2CCOCC2)cc1,CID2882558,,,0.0,,,0.0,,,,,,,,,,0.0,0.0
O=C(Nc1ccc(-c2noc(CCc3ccccc3)n2)cc1)c1ccco1,CID3237564,0.0,,0.0,0.0,,,,,,0.0,,,0.0,,,,
O=C(Cn1cnc2c(oc3ccccc32)c1=O)N1CCCc2ccccc21,CID3237567,,,,,0.0,,0.0,,0.0,,,,,,,,
O=C(CCCCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)N1CCN(Cc2ccccc2)CC1,CID3237561,,,,,,,,0.0,,,,,,,,,0.0
Cn1c(=O)c2sccc2n2c(CCCC(=O)NCc3ccc4c(c3)OCO4)nnc12,CID3242606,,,,,,,,,,,,,,,,,0.0
CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3ncnn3c2=O)cc1,CID659617,0.0,,,,,,,,,,0.0,,,,,0.0,
Cc1occc1-c1nnc(SCC(=O)Nc2nc(-c3ccccc3)cs2)o1,CID1871728,,,,,,,,,0.0,0.0,0.0,,,0.0,,,
Cc1ccc2nc(CSc3nnc(-c4ccncc4)n3C)cc(=O)n2c1,CID2091511,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccc(Cl)cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1,CID16188884,,,,,,,,,,,,,,0.0,,,
Cc1nnc(NC2=NCCCCC2)o1,CID2123616,,0.0,,0.0,,,,0.0,0.0,,,0.0,,0.0,,,
O=C(CCc1ccccc1)Nc1ccccc1C(=O)NCc1ccco1,CID900537,,,,,,,,,0.0,,,0.0,,,,,
S=C(NCCCN1CCOCC1)Nc1cccc(-c2nnc3n2CCCCC3)c1,CID2108621,,,,,,,,,,,,,,,0.0,,
COCc1cc(C)nc2sc3c(=O)n(-c4cccc5ccccc45)nnc3c12,CID1043673,,,,,,0.0,,,,,,,,,,,
CN1C(=S)SC(N(O)C(=O)Nc2cccc3ccccc23)C1(C)C,CID4204066,,,,,,,,,,,0.0,,,,,,
Cc1ccc(/N=C/c2cc(C)n(C3CCCC3)c2C)cc1,CID2318983,,,,,,0.0,,,,,,,,0.0,,,
COc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)ccc1OCc1ccccc1,CID5344355,,,,,,0.0,,,,,,,,,,,
Cn1nc(OCc2ccccc2)ccc1=O,CID2927541,,,,,,,,0.0,0.0,,,,,,,0.0,
Cc1sc(-c2ccncc2)nc1OC(=O)c1ccccc1,CID4353060,,,,,,,,,,,,0.0,,,,,
CC1Cc2nc(SCC(=O)Nc3nccs3)n(C)c(=O)c2S1,CID3600287,,0.0,,,0.0,,,,,,,,0.0,,,,
CCc1nc(NCCN2CCOCC2)c(C#N)c2c1CCCC2,CID658818,,0.0,,0.0,,,,,,,,0.0,,,,,0.0
O=C(c1ccccc1-c1ccccc1)N1CCOCC1,CID976209,0.0,,,,,,0.0,,0.0,,,,,,,,
Cc1ccc(CNC(=O)CCn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1,CID3617299,,,,,,0.0,,,,,,0.0,,,,,
Cc1ccc(C(=O)Nc2ccccc2C(=O)NC(Cc2ccccc2)C(=O)O)cc1,CID2883609,,,,,,,,,,,,,,0.0,,,
O=C(c1sccc1-n1cccc1)N1CCCC1,CID3245590,,,0.0,,,,,,0.0,,,0.0,,,0.0,0.0,
CC12CCC(C(=O)N3CCCc4ccccc43)(CC1=O)C2(C)C,CID2898093,,,,,,0.0,,,,0.0,,0.0,0.0,,,,
Cc1csc2nc(CNS(=O)(=O)c3cccnc3)cn12,CID3244249,0.0,0.0,,0.0,0.0,,,,,,,,,,,,
Cc1nc2ncnn2c(C)c1CCC(=O)N1CCN(c2ccccn2)CC1,CID3244242,,0.0,,,,,0.0,,,,,,,,,,
O=C(CC1NC(=O)NC1=O)Nc1ccccc1,CID2960513,,,,,,,,,,,,0.0,,,,,
CC1SC(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)=NC1=O,CID3145915,,,,,,,,,0.0,,,,,,,,
COC1=C/C(=C/NNC(=O)c2sc(N)c(C#N)c2C)C=C(Br)C1=O,CID5436013,,,,,,,,,,,,0.0,,,,,
CN1C(=S)SC(N(O)C(=O)Nc2ccccc2)C1(C)C,CID661438,0.0,,0.0,,0.0,,0.0,,0.0,0.0,0.0,,,,,,0.0
COc1ccc2nc(NC(=O)c3cccc(OCc4c(C)noc4C)c3)sc2c1,CID2127619,0.0,,0.0,,0.0,,,,,,,,0.0,,,0.0,0.0
Cc1ccc(-c2ccccc2NC(=O)C2C3C=CC(C3)C2C(=O)O)o1,CID661434,,,,,,,,,,0.0,,0.0,,,,,0.0
COc1ccccc1-c1csc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)n1,CID2312911,,,,,,,,,,,,,,0.0,,,
CS(=O)(=O)NC1c2cccc3cccc(c23)C1Sc1nncn1/N=C\c1ccco1,CID661436,,0.0,0.0,0.0,,,,,,0.0,,,,,,0.0,0.0
Cc1cc(-c2nsc(=O)o2)c(S(C)(=O)=O)s1,CID709292,,,,,,,,,0.0,,,,,,,,
CC(Nc1n[nH]c(=S)[nH]c1=O)C(=O)OCc1ccccc1,CID2787154,,,,0.0,,,0.0,,,0.0,,,,,,,
O=c1c(C(c2ccccc2)c2c(O)sc3ccccc3c2=O)c(O)sc2ccccc12,CID2830804,,,,,,,,,,0.0,,,,,,,
CC(=O)Nc1cccc(NC(=O)CS(=O)(=O)c2cn(CC(=O)N3CCOCC3)c3ccccc23)c1,CID16187071,,,,,,,,,,,,,,,0.0,,
COc1ccc(-c2cn3cccnc3n2)cc1NS(=O)(=O)c1ccccc1,CID16187076,,,,,,,,,,,,,,,0.0,,
Cn1c(=O)c2ccccc2n(Cc2ccccc2F)c1=O,CID893717,,0.0,,,,,,0.0,,,,,,,,,
Cc1noc(C)c1COC(=O)C1CC(O)CN1S(=O)(=O)c1ccc(Cl)cc1,CID2998410,,,,,,,,,0.0,,,,0.0,,,,
Cn1nc([N+](=O)[O-])nc1Sc1ccc(C(C)(C)C)cc1,CID797154,,,,,,0.0,,,,,,,,,,,
Cc1ccc(NC(=O)NC(=S)NC(=O)c2ccccc2)cc1,CID838684,,,,,,,,,,,,,,0.0,,,
O=C1c2ccccc2-c2ccc(C(=O)N3CCCCC3)cc21,CID1092427,,,,,,,,,,,,,,,0.0,,
C(=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1)\c1cccnc1,CID1273005,,,,,,,,,,,,,,,0.0,,
Cc1ccc(/C=N/NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)s1,CID1273003,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1sc(NC(=O)CCn2nnc3ccccc32)c(C(=O)OCC)c1C,CID1202624,,,,0.0,,,,,0.0,,,,,,,,
Cc1cc2c(c(=O)n1CCc1ccccc1)C(C(C)C)C(C#N)=C(N)O2,CID666654,0.0,,,,,,,,0.0,,,,,,,0.0,
COc1ccc2oc(C)c(C(=O)Cn3ccnc3)c2c1,CID3076954,,,0.0,,,,,,,,0.0,,0.0,,,0.0,
COc1ccc(C2C(C(=O)OCC(=O)N3CCCCC3)CCC(=O)N2c2ccc(OC)cc2)cc1,CID3000024,,,0.0,,,,,0.0,0.0,,,,,,,,
O=C(CCn1nnc2ccccc2c1=O)NC(C(=O)O)c1ccccc1,CID666703,,,,,,0.0,0.0,,,,,,0.0,,,0.0,
COCCN1CCn2c(nc3cc(NC(=O)NC4CCCCC4)ccc32)C1,CID666706,,0.0,,,,,,,0.0,,,,0.0,0.0,,0.0,
O=C(CSc1c2c(nc3cc(Cl)ccc13)CCCC2)NCCN1CCOCC1,CID16193930,,,,,,,,,,,,,,,0.0,,
O=C(NCCCNCc1ccccc1)/C(=N\O)c1ccccc1,CID6400951,,,,,,,,0.0,,,,,,,,,
O=C(NCc1ccccc1)/C(=N\O)c1ccccc1,CID6400950,,,,,,0.0,,,,,,,,,,,
Cc1ccc2nc(N3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)c(C#N)cc2c1,CID3214073,,,,,,0.0,,,,,,,,,,,
Cc1ccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)cc1,CID2976358,,,,,,,,,,,,0.0,,,,,
CCOC(=O)C1CCN(C(=O)CCN2C(=O)C3C4C=CC(C4)C3C2=O)CC1,CID4605631,,,,,,,,,,0.0,,,,,,,
c1ccc(-c2nnsc2Sc2ccccn2)cc1,CID1473978,,,,,,,,,,,,,,0.0,,,
O=C(c1cccc(-n2cnnn2)c1)N1CC=C(c2ccccc2)CC1,CID2552175,,0.0,0.0,0.0,,,,,,,,,,,0.0,,
Cn1ncc(C#N)c1/N=C/N(Cc1ccccc1)Cc1ccccc1,CID2951265,,0.0,0.0,,,,,,,,,,,0.0,,,
COc1c(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)ccc2ccccc12,CID1035119,0.0,0.0,,,0.0,,0.0,0.0,0.0,,,0.0,,,,,0.0
c1ccc(-c2nnc3sc(-c4csc5c4CCCC5)nn23)cc1,CID3242447,0.0,0.0,,0.0,,,,,,,,,0.0,,,,
O=C(CCc1ccccc1)NNC(=O)c1ccco1,CID774124,,,,,,0.0,,,,,,0.0,,,,,
O=C(Nc1ccccc1)c1nnsc1S(=O)c1ccc(Cl)cc1,CID1486982,,,,,,,,,,,,,,,0.0,,
O=C(CCNS(=O)(=O)c1cccc2nonc12)NCc1cccs1,CID3240453,,0.0,,,,,,,,0.0,,,,,,,
Cn1c(NC(=O)Cc2cccs2)cc(=O)n(C)c1=O,CID2148448,,,,0.0,,,,,,0.0,,,0.0,,,,0.0
O=[N+]([O-])c1nn(-c2ccc3c(c2)OCCO3)n(O)/c1=N\C1CCCCCC1,CID2975897,,,,,,,,,,,,0.0,,,,,
O=C(O/N=C(/c1ccccc1)c1ccccn1)c1ccc(Cl)c(Cl)c1,CID1114679,,,,,,,,,,,,,,0.0,,,
O=C(OCc1nnc(-c2ccccc2)o1)c1ccc2ccccc2n1,CID2103632,,,,,,,,,0.0,0.0,0.0,,0.0,,,,
CCCn1cc(SCC(=O)Nc2nnc(C)s2)c2ccccc21,CID4113488,0.0,,,,0.0,,,,,,,,,,,,
O=C(Cn1cnc2ccccc2c1=O)N(Cc1ccco1)c1ccc(O)cc1,CID1324874,,,,,,0.0,0.0,0.0,,,,,,,,,
Cc1ccc(C(=O)NCCCNCCCNC(=O)c2ccc(C)nc2)cn1,CID664534,,,,,,,0.0,,,,,,,,,,
Cc1ccc(C)c(C(=O)COc2ccc(C)nc2[N+](=O)[O-])c1,CID3295107,,,,,,0.0,,,,,,,,,,,
C=CCn1nc(-c2ccccc2)c2c(C)onc2c1=O,CID1487437,,,,,,,,,,,,,,,0.0,,
COc1ccnc(NCc2cccnc2)c1C#N,CID1487431,,,,,,,,,,,,0.0,,,,,
Cc1cc(C(=O)CSc2nnc(-c3ccc(F)cc3)o2)c(C)n1CC1COc2ccccc2O1,CID4880475,,,,,,0.0,,,,,,,,,,,
O=C(CSc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCC3)N1CCc2ccccc21,CID1252468,,,0.0,,,,,,,,,,,,,,
Cc1cc(C)cc(N(CCC(=O)Nc2nnc(C)s2)S(=O)(=O)c2ccc(Cl)cc2)c1,CID2469834,,,,,,,,,,,,,,0.0,,,
O=C(CCNC(=O)Cn1ccc2ccccc2c1=O)NCCN1CCN(c2cccc(Cl)c2)CC1,CID3240455,,,0.0,,0.0,,,,,,,,0.0,,,,
COc1ccc(CNc2oc(-c3cccc4ccccc34)nc2C#N)cc1,CID663622,0.0,0.0,,,,,,,0.0,,,0.0,0.0,,,,0.0
CCOc1cc(C(=S)N2CCCC2)ccc1OC(=O)Cc1ccc(F)cc1,CID1322794,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1sc2nc(-c3ccco3)c3c(c2c1N)CC(C)(C)OC3,CID663620,,,,0.0,,,0.0,,,,,,,,,,
CC(C)Cn1c(=O)c2ccccc2n2c(SCC(=O)N3c4ccccc4CC3C)nnc12,CID3227896,,,,,,,,,,,,,,,0.0,,
O=[N+]([O-])c1cc([N+](=O)[O-])c2/c(=N/c3ccccc3)n(-c3ccccc3)n(O)c2c1,CID4317171,,,,,,,,,,,,,,0.0,,,
O=C(CCCN1C(=O)c2ccccc2C1=O)NCCCN1CCOCC1,CID2204518,,,,,,,,,,,,,,,0.0,,
O=C(CSc1nc2ccccc2c(=O)n1NC(=O)Cc1ccccc1)NCc1ccco1,CID3240454,,,,,0.0,0.0,0.0,0.0,,,,,,,,,
CCC(C)(C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)Cc1cccs1,CID5140222,,,,,,0.0,,,,,,,,,,,
COc1ccc(N2CCN(C(=O)c3cccc(Cn4cc(Cl)cn4)c3)CC2)cc1,CID1314825,0.0,,0.0,,,,,,,,,,,,,,0.0
COc1ccc(C(=O)N2c3ccccc3C(N(C(=O)c3cccs3)c3ccccc3)CC2C)cc1,CID2865716,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(-c2c(C(=O)N/N=C/c3ccc(OC)cc3)nnn2-c2nonc2N)cc1,CID1991915,,,,,,,,,,,,,,0.0,,,
O=C(CSc1nnc(C2CCCCC2)n1Cc1ccccc1)NCc1ccco1,CID648028,0.0,0.0,0.0,,0.0,0.0,,0.0,,,0.0,,,,,,
CC1=CCC2C(=O)N(c3nc(C)cc(C)n3)C(=O)C2C1,CID648029,,,,,,,,,,,0.0,,,,,,
S=C(NCC1CCCO1)n1nnc2ccccc21,CID2940209,,0.0,0.0,0.0,,,,,,,,0.0,0.0,,,,
Cc1nc(SCC(=O)N2c3ccccc3Sc3ccccc32)n[nH]1,CID1212264,,,,,,0.0,,,0.0,0.0,0.0,,,,,,
Cc1ccc(S(=O)(=O)N2C(=O)CCC2C(=O)N2CCN(C)CC2)cc1,CID2956144,,0.0,,,,,,0.0,,,,,,,,,0.0
CC1(C)OC(=O)C(=CSc2ccc(C(C)(C)C)cc2)C(=O)O1,CID1489460,,,,,,,,,,,,,,0.0,,,
O=C(CCCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NCc1cccs1,CID2237232,,,,,0.0,,,,,,,,,,,,0.0
Cc1ccccc1OCC(=O)N/N=C/c1cc2ccccc2nc1Cl,CID1377609,,,,,,0.0,,,,,,,,,,,
Cc1nc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)sc1C(=O)Nc1ccccc1,CID1468101,,,,,,,,,,,,0.0,,,,,
O=C(CC1CCCCC1)c1c(O)oc2ccccc2c1=O,CID970324,,,,0.0,,,,,,,0.0,,0.0,,,,
CN(c1nc2ccccc2n2c(-c3ccco3)nnc12)S(=O)(=O)c1ccccc1,CID667371,0.0,0.0,,,0.0,,,,,,,,0.0,,,0.0,
COc1cc(C(=O)Nc2nc(OC)c(-c3ccccc3)c(OC)n2)cc(OC)c1OC,CID2325892,,,0.0,0.0,0.0,,0.0,0.0,0.0,0.0,,,,,,,
Cc1cnc(NC(=O)CCNC(=O)c2ccccc2Cl)s1,CID2490376,,,,,,,,,,,,,,,0.0,,
Cc1ccc(OCc2nnnn2-c2ccccc2)cc1,CID2947414,,,,,,,,,,,,,,0.0,,,
O=C(NCCCN1CCCCCC1)C1CC(=O)N(C2CCCC2)C1,CID3244152,,0.0,,,,,,0.0,,,,,0.0,,,,
CC(C)(C)n1nnnc1C(c1cccs1)N(Cc1cccnc1)Cc1ccco1,CID3193666,,,,,,,,,,,0.0,,,,,,
Cc1ccc(S(=O)(=O)N(C(=O)c2ccncc2)c2ccc(OC(=O)c3ccncc3)c3ccccc23)cc1,CID3469947,,,,,,,,,,,,,,,0.0,,
c1ccn2c(CNc3ncnc4sccc34)nnc2c1,CID2560138,,0.0,,,0.0,,,,,,,,,,,,
CN(C)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1,CID2335893,,,,,,,,,,,,0.0,,,,,
O=C(COc1ccccc1)NCCc1cn2ccsc2n1,CID5310221,,,0.0,0.0,,,,,,,,,,,,,
CCN1CCN(CC(=O)Nc2ccc3c(c2)OCCO3)C(=O)C1=O,CID5310223,,,,,,0.0,,0.0,,,,,,0.0,,,
CC1CCN(C(=O)CSc2nnc(Cc3cccn3C)n2CCc2ccccc2)CC1,CID5308053,0.0,,,,,,,,,,,,0.0,,,,
CCOC(=O)c1c(C)n(C)c2ccc(OC(=O)c3ccc(N4C(=O)CCC4=O)cc3)cc12,CID1084360,,,,,,,,,,,,,,,0.0,,
O=C(C1CCCN(S(=O)(=O)c2cccs2)C1)N1CCC(N2CCCCC2)CC1,CID5308054,,,0.0,,,,,,,,,,,,,,
O=S(=O)(NCc1ccc2c(c1)OCO2)c1cnc[nH]1,CID5308055,,,,,,,,0.0,,,,,,,,0.0,
CC1(C)C2CCC13CS(=O)(=O)NC3C2,CID658384,,,,0.0,,,0.0,,,,,,0.0,,0.0,,
O=C(Cc1cccs1)Nc1cccc(C(=O)Nc2ccco2)c1,CID976770,0.0,,,0.0,0.0,,,0.0,,,0.0,,,,,,
O=C(Nc1cccnc1)c1ccc(NC(=O)c2ccco2)cc1,CID976771,,,,,,,,,,,,0.0,,,0.0,,
CC(C)(C)Nc1cccccc1=O,CID658389,,,,,,0.0,,0.0,,,,,,,,0.0,
O=C1N=C(c2ccccc2)C(c2ccccc2)N1,CID95311,,,,,,0.0,,,,,,,,,,,
CCOc1ncccc1C(=O)OCCN1C(=O)c2ccccc2C1=O,CID2395269,,,0.0,0.0,,,,,,,,,0.0,,,,0.0
CCn1c(=O)cc(SCC(=O)NCc2ccccn2)c2ccccc21,CID3244915,0.0,0.0,0.0,,0.0,,,,,,,,,,,,
O=C1C=Cc2ccccc2/C1=C/NNc1ccccc1,CID5964294,,,,,,,,,,,,,,,0.0,,
Cc1ccc(-n2c(C)nnc2SCC(=O)N2CCc3ccccc3C2)cc1C,CID1211197,,,,,,0.0,,,,,,,,,,,
Cn1nnnc1SCC(=O)N1CCc2ccccc2C1,CID645779,,,,,,,,,,0.0,,,,,,,
O=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1,CID645771,,,0.0,,0.0,0.0,0.0,,0.0,,,,,0.0,,,0.0
N#CC1=C(N)C(C#N)(C#N)C(c2cccnc2)C2CCCC=C12,CID645772,,,,,,,,0.0,,,,,0.0,,,0.0,
O=C(CCC(=O)N(CC(=O)NC1CCCCC1)Cc1ccco1)Nc1nccs1,CID645776,,,,,0.0,0.0,,,,,,,,,,,
c1ccc(Cn2c(SCc3nc4ccccc4s3)nnc2-c2ccco2)cc1,CID2386422,0.0,,,,0.0,,,,,,,,,,,,
CCOC(=O)c1c(NC(=O)CN2CCOCC2)sc2c1CC(C)(C)OC2,CID658568,,,,,,,,,0.0,,,,,,,,0.0
CCOC(=O)c1c(C)n(C(=O)c2ccco2)c(=O)n1C(=O)c1ccco1,CID650772,,,,,,,,,,,,,1.0,,1.0,,
Cc1cc(NC2C3CC4CC(C3)CC2C4)n2ncnc2n1,CID650770,,,0.0,0.0,,0.0,0.0,0.0,,,,0.0,,,,,
O=C(NCCCN1CCOCC1)C(C(=O)c1ccccc1)n1ccccc1=O,CID648870,,,,,,,,0.0,,,,,,,,,
N#Cc1nc(-c2cccs2)oc1NCc1ccc2c(c1)OCO2,CID661204,0.0,0.0,0.0,,0.0,0.0,0.0,,,,,,,,,,
CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)CSc1nnc(-c2cccs2)n1CC,CID2816323,,,,,,0.0,,,,,,,,,,,
CC(=O)OC1CC(C)(C)N(OC(=O)CCCN2C(=O)c3ccccc3C2=O)C(C)(C)C1,CID3238347,,,0.0,,,,,,,,,,,,,0.0,
Cc1c(NC(=O)CSc2nc3n(-c4ccccc4)[nH]cc-3c(=O)n2)c(=O)n(-c2ccccc2)n1C,CID2087410,0.0,,,0.0,,,,,,,0.0,,,,,0.0,
Cc1c(NC(=O)CSc2nnnn2Cc2ccccc2)c(=O)n(-c2ccccc2)n1C,CID1300699,0.0,0.0,,,0.0,,,,,,,,0.0,,,0.0,
O=C(c1ccccc1)c1ccc(N2CCCCC2)cc1,CID668638,,,,,,0.0,,,,,,,,,,,
O=S(=O)(c1ccc(F)cc1)c1nc(-c2ccco2)oc1Nc1ccc(F)cc1,CID1034454,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)NCCCN1CCCC1=O,CID2495000,,,,,,,0.0,,,,,,,,,,
N#CC(C(=O)NC1CC1)c1nc2ccccc2nc1N1CCN(C/C=C/c2ccccc2)CC1,CID5389286,,0.0,,,,,,,,,,,,,,,
CSc1nsc(SC)c1NC(=O)OCCc1ccccn1,CID684983,,,,,0.0,,,,0.0,,,,,0.0,,,
CN(C(=O)COC(=O)COc1ccccc1F)C1CCS(=O)(=O)C1,CID2998069,,,,,,,,0.0,,,,,,,0.0,,
Nc1c(C(=O)NCc2ccco2)sc2nc(N3CCOCC3)c3c(c12)CCCC3,CID661594,,,,0.0,,0.0,0.0,,,,,,,,,,
CC1CC(N(C(=O)c2ccco2)c2ccccc2)c2ccccc2N1,CID2998067,,,,,,0.0,,,,,,,,,,,
CCN(C(=O)CSc1nnnn1-c1cc(C)ccc1OC)C1CCS(=O)(=O)C1,CID2998064,,0.0,,,0.0,,,,,,,,,,,0.0,0.0
CC1CN(Cc2cc(=O)n3ccsc3n2)CC(C)O1,CID2998063,,0.0,,,,,,,,,,,0.0,,0.0,,
Cc1cc(C)n2cc(CSC3=NCCS3)nc2n1,CID2998062,0.0,,,,0.0,,0.0,,,,,,,,,,
Cn1cccc1C(=O)NC(=O)COC(=O)Cc1coc2ccc3ccccc3c12,CID2998061,,,,,,,0.0,0.0,0.0,,,0.0,0.0,,,,
COc1ccc(CC(=O)NC2CCN(CC(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1OC,CID648281,0.0,,,,,,,0.0,,,,0.0,,,,,
O=C(Nc1ccccc1N1CCOCC1)c1ccc2nc[nH]c2c1,CID2569844,,,,,,,,,,,,,,0.0,0.0,,
O=S(=O)(c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)nc1)N1CCCC1,CID2999912,,,,,,,,,,,,,,,,,0.0
O=S(=O)(c1ccc(N2CC=C(c3ccccc3)CC2)nc1)N1CCCC1,CID2999915,,,0.0,,,,,,,,,,,,,0.0,0.0
CCOC(=O)NC(c1ccccc1)C1CCCCC1=O,CID2999916,,0.0,0.0,,,,,,,0.0,,,,,,,0.0
CCCCC1(C)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O,CID2999917,,,,,0.0,,,,0.0,,,,0.0,,0.0,,
O=C1c2ccccc2C(O)(c2ncc[nH]2)N1C1CCCCC1,CID607941,0.0,,0.0,,,,,0.0,,,,0.0,,,,,
CCOc1cccc2c1OC(c1cc(OC)c(OC)c(OC)c1)N1N=C(c3ccc(C)o3)CC21,CID3347420,,,,,,,,,,,,,,,0.0,,
CCN1CCc2c(OCc3ccccc3)cccc2C1=O,CID2151945,,,,,,,,,,,,,,0.0,,,
N=c1c(C(=O)NCc2ccco2)cc2c(=O)n3ccccc3nc2n1CC1CCCO1,CID3151312,,,,,,,,,0.0,,,,,,,,
Brc1ccc(CSc2nnc(Cc3c[nH]c4ccccc34)o2)cc1,CID1310665,0.0,,,,,,0.0,,0.0,,0.0,,,,,0.0,0.0
COc1ccc(CNC(=O)C2CCN(C(=O)N3CCOc4ccc(C)cc43)CC2)cc1,CID3236512,0.0,,0.0,0.0,0.0,,,0.0,,,,0.0,0.0,,,,
Cc1c2c(nc3c(C(=O)NC4CCCCC4C)cnn13)CCCC2,CID3236511,,0.0,,,,0.0,,,,,,,,,,,
O=C(Oc1ccccc1)c1cccc2cccnc12,CID2227226,,,,,,,0.0,0.0,0.0,,,,,,,0.0,
O=C(NC1CCCCCCC1)C1CCN(S(=O)(=O)N2CCCC2)CC1,CID3236514,0.0,0.0,,,0.0,,,,,,,,0.0,,,0.0,
CCn1c(C)cc(/C=C2\NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c1C,CID1782951,,,,,,,,,,,,0.0,,,,,
O=C(CNC(=O)Cc1ccccc1)NCC(=O)OCc1ccc(C(=O)c2ccccc2)cc1,CID2966079,,,,,,0.0,,,,,,,,,,,
Cc1cc(Cl)ccc1C(=O)C1CCCN(C(=O)c2snnc2C)C1,CID16190934,,,,,,,,,,,,,,0.0,,,
O=C(c1c[nH]c2ccccc12)C(O)C(c1ccccc1)N1CCOCC1,CID2966075,,0.0,,,,,,,,,,,,,,,0.0
O=[N+]1C=C(c2ccc(-c3ccccc3)cc2)N([O-])C2CCCCC21,CID2966076,,,,0.0,,,,0.0,,0.0,,,,,,,
Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)NNC(=O)Cc2ccccc2)cc1,CID997217,,,,,,0.0,,,,,,,,,,,
CCOc1ccccc1Nc1ncccc1C(=O)N1CCCC1,CID649531,0.0,,,,,,,,,,,,0.0,0.0,,,
CCOC(=O)N1CCC(Nc2c(N3CCN(c4cc(Cl)ccc4C)CC3)c(=O)c2=O)CC1,CID5307349,0.0,,,,,,,,,,,,,,,,
CCn1cc(C(=O)NCC2CCCO2)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21,CID5307347,,,,,,,,,,,,,,,,0.0,
O=C(Cn1cc2c(n1)CCCC2)NCCCN1CCN(C2CCCCC2)CC1,CID5307342,,,,,,,,,,0.0,,,,,,,
O=C(c1ccc2c(c1)OCO2)N1CCN=C1SCc1cccnc1,CID4104191,0.0,0.0,,,0.0,,,,,,,,,,,,
O=C1NC(=O)N(CCC2=CCCCC2)C(=O)/C1=C\c1cccs1,CID882221,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc2cc(C(=O)N3CCCCCC3)sc(=O)c2c1OC,CID3237640,,,,,,,,,0.0,,,,,,,,
O=C(COC(=O)C12CC3CC(CC(O)(C3)C1)C2)NC(=O)NCc1ccco1,CID2998521,,,,,0.0,,,0.0,,,,,,,,,
CC(=O)n1nc2nc(C)cc(C)c2c1N,CID3245414,,,0.0,0.0,,,,0.0,,,,0.0,,,,,
CCOC(=O)N1CCC(NC(=O)C2CCN(S(=O)(=O)N3CCCC3)CC2)CC1,CID3245411,,,,,,0.0,,,0.0,0.0,,,,,,,
O=C(NCCCc1ccccc1)c1cnc2n(c1=O)CCS2,CID3245413,0.0,0.0,,0.0,,,,0.0,,,0.0,,,,,0.0,
O=C(CCNS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)NCc1cccnc1,CID3245418,,,,,,,0.0,0.0,,,,,,,,0.0,
COC(=O)C1=C(N)Oc2cc(C)n(CCc3ccccc3)c(=O)c2C1c1cccnc1,CID661975,,,,,,,,0.0,,0.0,0.0,,,,,0.0,0.0
c1ccc(Cn2c(-c3cccs3)nc3nc4ccccc4nc32)cc1,CID661974,0.0,,,,0.0,,0.0,,,,0.0,,,,,0.0,0.0
Cc1cc(=O)oc2ccc(OCC(=O)N3CCc4ccccc43)cc12,CID661971,,0.0,,,,0.0,,0.0,,,0.0,0.0,,,,,
CSc1nnc2c3c4c(sc3c(=O)n(-c3ccccc3)n12)CC(C)(C)OC4,CID661978,0.0,0.0,,0.0,0.0,0.0,,,,,,,,,,,0.0
O=C(CCc1ccccc1)c1nnc(-c2ccccc2)o1,CID2362065,,,,,,,,,,,,,,0.0,,,
CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1,CID658999,,0.0,,0.0,,,,,,,0.0,,,,,0.0,
CCc1nnc(NC(=O)CN2CCN(C(=O)c3ccccc3)CC2)s1,CID1135784,,,,,,,,,,,,,,,0.0,,
Cc1ccc(N(CN2C(=O)NC(C)(C)C2=O)CN2C(=O)NC(C)(C)C2=O)cc1,CID658993,,,,0.0,,,,0.0,,0.0,,,,,,,
O=C1NCCN2CCCC12,CID658991,,0.0,,,,,,,,,,,,,,,
CN1CC(=O)Nc2ccc(F)cc2C1=O,CID658990,,,,0.0,,,,,,,,,,,,,
CC12CCC(=O)N1c1c(sc3nc(N4CCOCC4)c4c(c13)CCCC4)C(=O)N2,CID658994,,,,0.0,,,,,0.0,,,0.0,,,,,0.0
O=C(CC12CC3CC(CC(Br)(C3)C1)C2)OCCN1CCCCC1,CID4005216,,,,,,,,,,,,,,0.0,,,
O=C(Nc1cccc2ccccc12)N1CCOCC1,CID575109,,,0.0,0.0,,,,0.0,,0.0,,0.0,,,,,
CC12CC3(C)CC(C)(C1)CC(C(=O)NC(=S)N1CCOCC1)(C2)C3,CID2851314,,,,,,0.0,,,,,,,,,0.0,,
c1ccc(CCc2nc(-c3cccnc3)no2)cc1,CID784353,0.0,,,0.0,,0.0,,0.0,,,,,0.0,,,,
O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)N1c2ccccc2Sc2ccccc21,CID647617,,,,,,,,,,,,,,,,,0.0
Cc1ccc(S(=O)(=O)NC2=NCN(Cc3ccccc3)CN2)cc1,CID666197,,0.0,0.0,,,,,,,0.0,0.0,,,,,,
Cc1c(-n2c(CN3C(=O)c4ccccc4C3=O)nc3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C,CID635573,0.0,,,,,,,,,0.0,0.0,0.0,,,,,
O=C(Nc1cccc(F)c1)N1CCCC(CNS(=O)(=O)Cc2ccccc2)C1,CID16189496,,,,,,,,,,,,,,0.0,,,
Fc1cnc(N2CCc3ccccc32)nc1N1CCc2ccccc21,CID926200,,,,,,,,,,,,0.0,,,,,
COc1cccc(/C=C(/C(=O)OCC(=O)NC2CCCCCCC2)c2ccccc2)c1,CID6515898,,,,,,,,,,,,,,0.0,,,
Cn1c(=O)c2c(ncn2CC(=O)Nc2ccccc2Sc2ccccc2)n(C)c1=O,CID1250074,,,,0.0,,,,,,,0.0,,,,,0.0,
CCc1nnc(NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)s1,CID1370231,,,,,,,,,,,,,,0.0,,,
O=C(CSC1c2ccccc2-c2ccccc21)NN/C=C1\C=CC=CC1=O,CID6524439,,,,,,,,,,,,,,,0.0,,
O=C(CN1C(=O)CCC1=O)Nc1nc(-c2nc3ccccc3s2)cs1,CID4144800,0.0,0.0,,,0.0,,,,,,,,,,,,0.0
CCCn1c(N)c(C(=O)CN2CCN(S(=O)(=O)c3cccs3)CC2)c(=O)[nH]c1=O,CID2551384,,0.0,,,,0.0,,,0.0,0.0,,,,,,0.0,
CC1(C(=O)O)CCC(C(=O)NCCc2ccccc2)C1(C)C,CID2787052,,,,,,,,0.0,,,,,,,,,0.0
CCCN(CC1CC1)C(=O)CCc1nnc(CCc2c[nH]c3ccccc23)o1,CID16191618,,,,,,,,,,,,,,0.0,,,
O=C(NCc1ccccc1)c1cc(=O)c2ccccc2o1,CID805307,,,,,,,,,,,,,,,0.0,,
O=C(CSc1nc2ncccc2[nH]1)NCc1ccccc1,CID2285249,,0.0,,,,0.0,,,,0.0,0.0,0.0,0.0,,,0.0,
N/C(=N\OC(=O)c1ccc2c(c1)OCO2)c1ccc(Cl)cc1,CID9587511,,,,,,,,,,,,0.0,,,,,
Cc1cc(NC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)no1,CID1331098,,0.0,0.0,,,,,,,,0.0,,,,,,
O=C(NCCOC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1ccncc1,CID2093658,0.0,,,0.0,0.0,,,,0.0,,,0.0,,,,0.0,
CN(C)S(=O)(=O)c1ccc(C(=O)Oc2cc(=O)[nH]c3ccccc23)cc1,CID2093655,,0.0,,0.0,,0.0,0.0,,,0.0,0.0,,,,,0.0,
CCN1/C(=C2\SC(=S)N(Cc3ccccc3)C2=O)Sc2ccccc21,CID2259985,,,,,,,,,,,,,,0.0,,,
Cc1noc(C)c1C(=O)NCc1ccco1,CID715566,,,,,,,,0.0,0.0,,,,0.0,,,,
O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CCN(S(=O)(=O)c2ccccc2)CC1,CID2125711,,,0.0,,,,,,,,,,,0.0,,0.0,
c1ccc(Nc2nc(-c3cccnc3)cs2)nc1,CID704624,,,,0.0,,,,,,,0.0,,,,,0.0,
O=C(c1cc2ccccc2oc1=O)N(Cc1ccco1)C1CCS(=O)(=O)C1,CID664803,,,,,,,,,,,,,0.0,,,0.0,
CC(=O)NC1=NC(=O)/C(=C/N2CCCCC2)S1,CID664801,,0.0,,0.0,0.0,,,0.0,,,,,,,,,
O=C(O)C1CSC(c2ccco2)N1,CID2827740,,,,,,,,,,,,,,,0.0,,
O=C(c1oc2ccccc2c1CSCc1ccccc1)N1CCN(c2ncccn2)CC1,CID2551569,0.0,,,,,,,0.0,,,,,,,,,0.0
CC(=O)NCc1ccc(C(=O)CSc2nnc(-c3ccncc3)n2Cc2ccccc2)o1,CID2566868,,0.0,,0.0,,,,,,,0.0,,0.0,,,,
Cc1nc(C)n(C(=O)N(c2ccccc2)c2ccccc2)n1,CID2950644,,0.0,,0.0,,,0.0,,,0.0,,0.0,0.0,,,,0.0
Cc1cc(N2CCCCC2)nc(N2CCCCC2)n1,CID893737,,,,,,,,,,,,,,,0.0,,
O=C(COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)NC1CCCC1,CID2100298,,,,,,,,,,,,,,,0.0,,
CN1C2CCC1CC(OC(=O)c1c[nH]c3ccccc13)C2,CID5595,,,,,,,,,,0.0,,,0.0,,,0.0,
Cc1ccccc1OCCNC(=S)Nc1ccccc1,CID1811564,,,,,,0.0,,,,,,,,,,,
CCN1C(=O)CSc2ccc(C(=O)NC3CCCCC3)cc21,CID3239253,0.0,,,,0.0,0.0,,,,,,0.0,,,,,
N#Cc1nc(-c2cccs2)oc1N1CCN(c2ccccc2)CC1,CID891859,0.0,,,,,,,,,,0.0,,0.0,,,,
CCOC(=O)Cn1nc(C)cc1NC(=O)c1cccnc1,CID1509189,,,,,,,,,,,,,,,0.0,,
CSc1nc(N2CCOCC2)c2c(c1C#N)CCCCC2,CID920039,,,,,,,,0.0,,,,0.0,0.0,,0.0,0.0,
O=C1CCCC(=O)C1=C1SCCCS1,CID5045574,,,,,,,,,,,,,,0.0,,,
Cc1sc2nc(CN3CCCC3)nc(N3CCN(S(=O)(=O)c4cccs4)CC3)c2c1C,CID2649849,,,,,0.0,,,,,,,,,,,,
COc1ccc(NC(=O)c2cc(CN3C(=O)c4ccccc4C3=O)ccc2OC)cn1,CID2092122,,,,,,,0.0,,,,0.0,0.0,,,,,
N#Cc1nc(-c2cccs2)oc1NCCc1ccccc1,CID661185,0.0,0.0,,,0.0,0.0,0.0,0.0,,0.0,,,0.0,,,,
O=C(c1ccc(-c2nnc(-c3ccccc3)o2)cc1)N1CCCCCC1,CID661182,0.0,0.0,,,,,0.0,,,,0.0,0.0,,,,,
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)NC2CCCCC2)=C(C#N)C1c1ccco1,CID2942026,0.0,,,,,,,,,0.0,,,,,,,0.0
CC(=O)c1c(N2CCN(C(=O)C3CCCO3)CC2)nc(=S)n(-c2ccccc2)c1C,CID2942027,,,,,,,,,,,,,,,,0.0,
CCCCS(=O)(=O)NC1=NCN(C2CCN(Cc3ccccc3)CC2)CN1,CID647388,,,,,0.0,,,0.0,,,,,,,,0.0,0.0
CCc1nc2c(n1)c1c(non1O)c1c2no[n+]1[O-],CID3236301,,,,0.0,,,,,,,,,,,,,
N=c1oc2ccccc2cc1-c1nc(=O)c2ccccc2[nH]1,CID389221,,,0.0,0.0,,0.0,,,,,,,,,,0.0,
O=C(COC(=O)c1cccc(C(=O)OCC(=O)NC2CC2)n1)NC1CC1,CID5145674,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC(=O)c2ccco2)c(NC(=O)c2cccs2)c1,CID892466,0.0,,0.0,0.0,0.0,,0.0,0.0,,,0.0,,0.0,,,,
N#Cc1nc(-c2cccs2)oc1NCc1ccco1,CID892464,,0.0,,0.0,0.0,,0.0,,,,,,0.0,,,,
Cc1c(Br)c([N+](=O)[O-])nn1C(C)C(=O)N1CCCc2ccccc21,CID2980113,,,,,,,,,,,,0.0,,,,,
COC(=O)c1ccc2c(=O)n(CCC3=CCCCC3)c(SCC(=O)N3CCCC3)nc2c1,CID3245889,,,0.0,,0.0,,,0.0,0.0,,,,,,,,0.0
O=C(Nc1ccc(Cl)cn1)c1ccc2c(c1)OCCO2,CID708628,,,,,,,,,,,,,,0.0,,,
c1ccc(COc2nsnc2N2CCOCC2)cc1,CID1088923,0.0,,,0.0,0.0,,,0.0,,,,,0.0,,,,
COc1cc2nc(=S)n3[nH]c(CCn4nc(C)cc4C)nc3c2cc1OC,CID3245881,,0.0,,0.0,0.0,,,0.0,,,,,,,,0.0,
CCOc1cccc2cc(C(=O)Nc3ccccc3-c3ccccc3)c(=O)oc12,CID1246204,,,,,,,,,,,,,,0.0,,,
CSc1nc(SC)c2c3c(oc2n1)COC(C)(C)C3,CID617293,,,0.0,,,,0.0,,,0.0,,,,,,,
Cc1nn(-c2nc3ccccc3n2Cc2ccccc2)c2c1C(=O)CC(C)(C)C2,CID1067666,,,0.0,0.0,,,0.0,,0.0,,,,,,,,
O=C1c2ccccc2C(=O)N1CCCCSc1nnnn1-c1ccccc1,CID2383570,0.0,,,0.0,0.0,,,0.0,,,,,,,,0.0,
Cc1noc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c1C,CID1188014,0.0,,,0.0,,,,,0.0,,,,,,,,
COC(=O)c1c(NC(=O)CN(c2ccccc2)S(C)(=O)=O)sc2c1CCCC2,CID2467179,,,,,,,,,,,,,,,0.0,,
c1ccc(-c2nc(NCC3CCCO3)c3ccccc3n2)nc1,CID662450,,0.0,,0.0,,,,,,,,0.0,,,,,
N#Cc1cnn(-c2nc(SCc3ccccc3)nc3sc4c(c23)CCCC4)c1N,CID663120,,0.0,0.0,,0.0,0.0,,,,,,0.0,,,,,
O=C(Cn1nnc(-c2ccc(N3CCOCC3)cc2)n1)OC1CCCCC1,CID646384,,0.0,,,,,,,,,,,,,0.0,,
CCOc1cc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c(OCC)cc1-n1cnnn1,CID654443,0.0,,,,,,0.0,0.0,,,,,,0.0,,0.0,0.0
O=C(c1c(F)cccc1F)N(Cc1ccccn1)C1CCCC1,CID654445,,,,,,,,,,,,0.0,,,,,0.0
CC(=O)NC(Cc1ccccc1)C(=O)NC1CCN(C(=O)NC2CCCCC2)CC1,CID654447,0.0,,0.0,,,,,0.0,0.0,0.0,,,,,,,
O=C(NC1CCCC1)c1csc2c1CCCC2,CID3242671,,,0.0,0.0,0.0,0.0,,0.0,,,,,,,,,
O=C(OCc1nnc(-c2ccccc2)o1)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O,CID2080341,,,,0.0,,,,,,,,,,,0.0,,
c1ccc(-c2noc(-c3cccc4ccccc34)n2)nc1,CID757874,,0.0,0.0,,,,0.0,,,,0.0,,,,0.0,,
COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)OCc1nnc(-c2ccccc2)o1,CID2080348,,,0.0,,,0.0,,,,,,,,,,,
CN(c1nc(-c2ccccc2)cs1)C1CCS(=O)(=O)C1,CID2975913,,,0.0,,,,0.0,,,,,,,,,,
CC(C)(C)C(=O)Cn1ncc(N2CCCC2)c(Br)c1=O,CID1474956,,,,,,,,,,,,0.0,,,,,
COc1ccc(NC(=O)C(c2ccc(C)cc2)N(C)C(=O)Cc2cccs2)cc1,CID4661529,,,,,,,,,,,,,,,0.0,,
Cc1sc2nc3c(C(=O)N4CCN(c5ncccn5)CC4)cccn3c(=O)c2c1C,CID3239783,,0.0,,,0.0,,,,,,0.0,,,,,,
Nc1nnc(Cc2c[nH]c3ccccc23)s1,CID654218,,0.0,,,,,,,,,,,,,,0.0,
COC(=O)C(C(=O)Nc1cccc(C)n1)C1CCCCCC1,CID2945390,,,,,,0.0,,,0.0,,,,,,,,
CN(c1ccc(C(=O)NCc2cccs2)cc1)S(=O)(=O)c1ccccc1,CID1310262,,,,,,,,,,,,,,0.0,,,
Cc1noc(C)c1C(=O)N1CCC2(CC1)OCCO2,CID1245987,,,,,,,,0.0,,,,0.0,0.0,,,,
O=C(/C=C/C=C/c1ccccc1)CC1(O)C(=O)N(CCc2ccccc2)c2ccccc21,CID5732342,,,,,,0.0,,,,,,,,,,,
Cc1nc(CCNC(=O)c2cccs2)cs1,CID3238025,,,,,0.0,,,,,,,,,,,,
CCOC(=O)N1CCC(n2c(SCC(=O)Nc3nccs3)nc3ccsc3c2=O)CC1,CID3238024,,,,,0.0,,,,,,,0.0,,,,,
Cc1cc(C(C)(C)C)oc1C(=O)N1CCN(C(=O)c2oc(C(C)(C)C)cc2C)CC1,CID1006276,0.0,,,,0.0,,,,0.0,,,,0.0,,,,
O=C(CCCSc1nnc(-c2cccs2)n1CC1CCCO1)c1ccccc1,CID2997866,0.0,,0.0,0.0,,,,,,,,,,,0.0,0.0,
CC12CS(=O)(=O)CC1SC(=S)N2c1ccccn1,CID2997867,,,,,0.0,,,,0.0,,,,0.0,,,,
Cc1ccc(-n2ccnc2SCC(=O)N(CC(C)C)C2CCS(=O)(=O)C2)c(C)c1,CID2997860,,,0.0,,0.0,0.0,,,,,,,,,,0.0,0.0
CCOC(=O)/C=c1\s/c(=C\c2ccccc2OC)c(=O)n1CC(=O)N1CCOCC1,CID2997861,,,,,,0.0,,0.0,,0.0,0.0,,,,,,
O=C(CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID2955511,,,,,,,,,,,0.0,0.0,,,,,
COCCn1c(SCc2csc(-c3ccccc3)n2)nc2ccccc21,CID2997868,0.0,,,,0.0,,,,,0.0,0.0,,0.0,,,,
CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)CNC(=O)C2CCCCC2)c1C,CID2997869,,0.0,,,,,0.0,,,,,,,,0.0,,
O=C(COC(=O)C1COc2ccccc2O1)NC(=O)Nc1ccc2c(c1)OCCO2,CID2998515,,,0.0,,,,,0.0,0.0,,,,0.0,,,0.0,
O=C(CS(=O)CC(=O)Nc1cccc2c1CCCC2)Nc1ccc(F)cc1,CID646762,,,,,,,,0.0,,,,,,,,,0.0
Cc1ccc2c(Cl)cc(Cl)c(OCc3c(C)noc3C)c2n1,CID2998510,0.0,,,0.0,,,,,,,,,,,,,
CC(C)c1nc2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2[nH]1,CID4106164,,,,,,,,,,,,0.0,,,,,
O=C(CSc1nnc(Cc2csc(Nc3cccc(Cl)c3)n2)o1)N1CCc2ccccc21,CID655334,,,,,,,,,,,,,,,,0.0,
NC(=O)N1c2ccccc2CC(=O)c2ccccc21,CID34312,,,0.0,,,,0.0,,,,,0.0,,,,,
c1ccc2c(c1)CCN(c1ncnc3nc[nH]c13)C2,CID2155063,,,,,,,,0.0,0.0,,,,,,,,
O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cccnc1,CID1084475,,,,,,,,,,,,,,,0.0,,
O=C1CCCC2=C1C1(CCCC1)N=C(Nc1nc3ccccc3s1)N2,CID2957910,,,0.0,0.0,,,0.0,0.0,,,,0.0,,,,0.0,
O=C(CSc1nnnn1C1CCCC1)Nc1ccc2c(c1)OCO2,CID647456,0.0,0.0,,,,,,,,,,,0.0,,,,
COC(=O)c1ccc(CSc2nnc(NC(C)C)s2)o1,CID2501701,,,,,,,,,,,,,,0.0,,,
c1ccc(Oc2cccc(NC3=NCCC3)c2)cc1,CID2100863,,0.0,,,,,,0.0,,,,,,,,,
COc1ccc(C2C=C(c3ccc(Br)cc3)N=C3N=C(N4C(=O)CCC4=O)NN32)cc1,CID5389660,,,,,,,,,,,,0.0,,,,,
CCC(c1nnc(SCC(=O)Nc2nnc(-c3ccccc3)o2)o1)N(C)C,CID2999645,,0.0,0.0,,0.0,0.0,,0.0,,,,,0.0,,0.0,,0.0
c1ccc(SCCOCCn2cncn2)cc1,CID2199640,,,,0.0,,,,,,,,,,,,,0.0
CC1=C(C(=O)OCc2ccccc2)C(c2ccccn2)c2c(n(C)c(=O)n(C)c2=O)N1,CID2999646,,,0.0,,,,0.0,,,,0.0,0.0,0.0,0.0,,,
O=C(C1CCCCC1)N(Cc1ccccc1)c1ccccn1,CID797886,,,,,,,,,0.0,,,0.0,,,,,
O=C(CCCn1c(=O)[nH]c2cc(Cl)ccc2c1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1,CID11957176,,,,,,,,,,,,0.0,,,,,
Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2/C=N/n2cnnc2)cc1,CID2320235,,,,,,,,,0.0,,,,,,,,0.0
O=C(NC1CC1)c1ccc2c(c1)NC(=O)c1ccccc1S2,CID11957178,,,,,,0.0,,,,,,,,,,,
O=C(CCN1C(=O)COc2ccccc21)NCCCN1CCc2ccccc2C1,CID3568842,,,,,,0.0,,,,,,,,,,,
CC1=C(C(=O)N2CCOCC2)C(c2ccsc2)C2=C(CCCC2=O)N1,CID2939857,,0.0,,,,,0.0,,,,,,0.0,,,0.0,
O=c1ccsn1Cc1ccccc1,CID647455,,,,,0.0,,,,,0.0,,,,,0.0,,
Cc1cc(C(=O)CSc2nnc(-c3cccc(F)c3)n2N)c(C)n1Cc1ccc2c(c1)OCO2,CID2569391,0.0,,,,,,,,,,,0.0,,,,,
CN(C/C(O)=C(\C#N)c1ccccc1)C1CCCCC1,CID2998464,0.0,,,,,,0.0,0.0,,,,,,,,,
COc1ccc(CN(C)c2nc(-c3cccnc3)nc3ccccc23)cc1OC,CID2548788,,,,,,,,,,,,,,,0.0,,
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1c[nH]c2ccccc12,CID3661786,,,,,,,,,,,,,,0.0,,,
CCCCn1c(=O)n(C)c(=O)c2c(C(F)(F)F)cc(-c3ccncc3)nc21,CID2999640,,,,,0.0,,,,,,,,,,,,0.0
O=S(=O)(NC1CCCC1)c1ccc(S(=O)(=O)NC2CCCC2)cc1,CID644727,,,0.0,,0.0,,0.0,,,0.0,0.0,,,0.0,,,0.0
Nc1nonc1C(=O)OCC(=O)N1CCCCC1,CID644721,,,,,,,,,0.0,,,,,,,,
O=C(CSc1nc2ccccc2nc1SCC(=O)N1CCOCC1)N1CCOCC1,CID1166837,,,,,0.0,,,,,,,,,,,,
Cc1cnc(C(=O)Oc2c(C)ccc(C)c2C)cn1,CID2446375,,,,,,,,,,,,,,0.0,0.0,,
O=S1(=O)N=C(N2CCCc3ccccc32)c2ccccc21,CID683338,,0.0,,,,,,0.0,,,,,0.0,0.0,0.0,,
COc1ccc2c(=O)c3c(=O)n(Cc4ccco4)c(-c4ccco4)nc3oc2c1,CID1863817,,,,,,,,,,,,,,0.0,0.0,,
Cc1nc(NNC=C2C=CC(=O)C=C2)c2cnn(-c3ccccc3)c2n1,CID5997242,,,,,,,,,,,,,,,0.0,,
CN(C)C(CNC(=O)C1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccco1,CID2999731,0.0,,,0.0,,0.0,,,,,,,0.0,,,0.0,
O=C(NCCN1CCc2ccccc2C1)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1,CID3236820,,,0.0,,0.0,,,,,,,,,,,,
Cc1cc(C)n2nc(SCC(=O)c3cccs3)nc2n1,CID1253213,,,,,,,,,,,,,,0.0,,,
O=C(Nc1ccc(NC(=O)C2CC2)nc1)c1cccs1,CID647567,0.0,0.0,0.0,0.0,0.0,0.0,,0.0,,,,,,,,,
COc1ccc(CN2CC(C(=O)N3CCOCC3)CC2=O)cc1,CID3241551,,,,,,,,0.0,,,,,,,,,0.0
CC/N=C1\SC(CC(=O)NC(C)c2ccccc2)C(=O)N1CC,CID3157885,,,,,,,,,,,,,,0.0,,,
O=C(CSc1nccc2ccccc12)N1CCN(c2ccccn2)CC1,CID4370654,0.0,,,,,0.0,,,,,,,,,,0.0,
O=C(Cc1c(F)c(F)c(F)c(F)c1F)OC12CC3CC(C1)C(=O)C(C3)C2,CID2999739,,,,,,,,,0.0,,,,,,,,
COc1ccc(C(=O)O/N=C2\CCCc3nonc32)cc1,CID685764,,,,,,,,,,,,,,,0.0,,
COC(=O)Nc1ncc(CN2CCc3ccccc3C2)s1,CID1530057,,,0.0,,0.0,,,,,,0.0,,,,,0.0,0.0
Cc1ccc(-n2nc(-c3ccccc3)c3c2C(=O)C=CC3=O)cc1,CID878572,,,,,,0.0,,,,,,,,,,,
S=C(NCc1ccco1)N1CCOCC1,CID972927,,,,,,,,,,,,,,0.0,,,
CC1(C)CC(=O)C(=CNCC2CCN(C(=O)Nc3ccccc3)CC2)C(=O)C1,CID1116824,0.0,,0.0,,,,,,,,,,,,,,0.0
CC(=O)Nc1nc2ccc(-c3nc4ccccc4o3)cc2s1,CID687454,0.0,0.0,,0.0,0.0,,,0.0,,,,,,,0.0,0.0,0.0
O=S(=O)(NCc1ccccc1)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1,CID1356376,,,,,,,,,0.0,,,0.0,,,,,
COC(=O)c1ccc(CSc2nnc(-c3ccncc3)n2Cc2ccccc2)o1,CID659591,0.0,,0.0,,0.0,,,0.0,,,,,,,,0.0,
COc1nc(OC)nc(N2CCC(C(=O)NC3CCCCCC3)CC2)n1,CID651348,0.0,0.0,,0.0,,,,0.0,,,,,0.0,,,,
COc1ccc(C2/C(=C(/O)c3ccc(C)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1,CID5345273,,,,,,0.0,,,,,,,,,,,
COCc1cc(C)nc(SCC(=O)Nc2cccc3cccnc23)c1C#N,CID1266519,,,,0.0,,,,0.0,,,,,0.0,,,0.0,
CC1CC(c2ccccc2)N2NC(NC(=O)c3ccco3)=NC2=N1,CID5389967,,,,0.0,,,0.0,,,,,0.0,0.0,,,,
Cc1cc(NC(=O)CSc2nnc(COc3ccccc3)o2)no1,CID2155848,0.0,0.0,,0.0,,,,,0.0,,,,0.0,0.0,,0.0,
CC(=O)Nc1ccc(N2CCOCC2)c(C(=O)Nc2cccc(C)c2)c1,CID2958857,,,0.0,,,,,0.0,0.0,,,,,,,0.0,0.0
CCOC(=O)C(Sc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3)c1ccccc1,CID3552667,,,,,,0.0,,,,,,,,,,,
CCCCc1ccc(NC(=S)Nc2ccc(Nc3ccc(OC)cc3)cc2)cc1,CID2958851,,,,,,,,,,,,,,,0.0,,
CCN(c1ccccc1)S(=O)(=O)c1ccc(OCC(=O)Nc2cc(C)on2)cc1,CID2090295,,,,,,,,,,0.0,0.0,,,,,,
CC1(C)CC(O)(CNCc2ccc3c(c2)OCO3)CCO1,CID3137720,,,,,,,,,,0.0,,,,,,,
Cc1cc(=O)nc(SCc2nc3ncccn3c2Br)[nH]1,CID1181729,,,,,,,,,0.0,,0.0,,,,,0.0,0.0
CCOC(=O)c1c(NC(=O)c2ccc(N3C(=O)C4C5C=CC(C5)C4C3=O)cc2)sc2c1CCCC2,CID3137728,,,,,,,,,,,,0.0,,,,,
Cc1occc1-c1nnc(SCC(=O)N2CCOCC2)n1Cc1ccco1,CID648608,,,,,,,,0.0,,,,,,,,,0.0
O=C1C(Cl)=C(NCC2CCCO2)C(=O)N1Cc1ccccc1,CID650138,0.0,,,,,,0.0,,,,,,0.0,,,1.0,
COc1ccc(NC(=O)CSc2nnc3ccc(-c4ccncc4)nn23)cc1OC,CID16194811,,,,,,,,,,,,,,,0.0,,
CC(CCc1ccco1)NC(=O)Cn1nc(Cc2ccncc2)c2ccccc2c1=O,CID5308577,,,,,,0.0,,,,,,,,,,,
CN(CC(=O)NC1CCCc2ccccc21)S(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C,CID5308572,,,,0.0,,,,0.0,,,,,,,,,
c1ccn2cc(CSC3=NCCS3)nc2c1,CID722328,,,0.0,,0.0,0.0,0.0,,,,,,0.0,,,,
Cc1ccc2c(C(=O)N3CCN(c4ccccc4)CC3)cc(-c3cccnc3)nc2c1C,CID2220703,,,,,,,,,,,,,,,0.0,,
CN(CCNC(=O)C1=CN/C(=C\N=O)C=C1)Cc1ccccc1,CID5389341,,0.0,,,,,,0.0,,0.0,,,,,,,
COc1ccc2cc(C)c3nnc(SCC(=O)Nc4nc(-c5ccccc5)cs4)n3c2c1,CID1172037,,,,,,,,,,,,0.0,,,,,
CC1CCN(C(=O)c2ccc(-n3cnnn3)cc2)CC1,CID864769,,,,,,,,,,,,0.0,,,,,
O=C(COC(=O)c1cccs1)Nc1nc(-c2ccccc2)cs1,CID2379341,,,,,,,,,,,,,,,0.0,,
O=C(NCc1cccs1)c1ccncc1,CID898381,,,0.0,0.0,0.0,,,,,,,,0.0,,0.0,,
O=C(C1CCC1)N1CCc2cc(S(=O)(=O)NCc3ccccn3)ccc21,CID9551045,,,,,,,,,,,0.0,0.0,,,,,
C=CCN1N=C(c2ccc(Cl)s2)CSC1=O,CID823215,,,,,,0.0,,,,,,,,,,,
CC(=O)N1CCc2cc(C(=O)CN3CCCCC3)ccc21,CID5309620,,,,,,0.0,,,,,,,,,,,
COC(=O)c1c(C(=O)OC)c2ccncn2c1Cl,CID654807,,,,,,,,,,,,,,0.0,,,
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1,CID1010230,,,0.0,,0.0,,,,,0.0,0.0,,,,,0.0,
O=C(O)C1C2C=CC(O2)C1C(=O)NCc1ccc2c(c1)OCO2,CID2931675,,,,,,,0.0,0.0,,,,,,,,0.0,0.0
NS(=O)(=O)c1ccc(CCNc2nc(CN3CCOCC3)nc3sc4c(c23)CCC4)cc1,CID2108255,,,,,,,0.0,,0.0,0.0,,0.0,0.0,,,,
Nc1cc(=O)nc(SCC(=O)NCc2ccccc2)n1CCc1ccccc1,CID1265641,,,,,,0.0,,,,,0.0,,,,,,
CCCC1=N/C(=C2/C=CC=CC2=O)N(c2ccccc2)N1,CID5337433,,,,,,,,0.0,,,,,,,,,
O=S(=O)(c1ccc(NC(=S)N/N=C/c2ccc(N3CCOCC3)cc2)cc1)N1CCOCC1,CID2370259,,,,,,,,,,,,,,,0.0,,
O=C(CSc1nnc(Cc2cccs2)n1CCc1ccccc1)N1CCCc2ccccc21,CID2480673,,,,,,,,,,0.0,0.0,,,,,,
O=C(Nc1ccccc1C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O)c1ccco1,CID2883279,,,,,,0.0,,0.0,,,,,,,,,0.0
COc1ccc(CCNC(=O)C(=O)Nc2nccs2)cc1OC,CID2883278,,,,,,,,,,,,,,0.0,,,
CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)NCCc3ccccc3)c21,CID9550394,,,,,,,,,,,0.0,,,,,,
Cc1ccc(C(=O)NC(=S)NCCCN2CCOCC2)cc1,CID1583929,,,,,,,,,,,,,,0.0,,,
O=C(NCCN1CCCCCC1)c1ccc(N2CCCC2=O)cc1,CID3236498,0.0,0.0,0.0,0.0,,,,0.0,,,,0.0,,0.0,,,
O=C(O)C(Cc1ccccc1)N1C(=O)c2ccncc2C1=O,CID3236492,,,,,,0.0,,,,,0.0,,0.0,,,,
COc1ccccc1CN1C(=O)CN(C2CCCC2)C(=O)C1c1ccc(F)cc1,CID3236490,,,,,,,,,,,,,0.0,,0.0,,
CCOc1ccc2nc(N3CCCCCC3)sc2c1,CID3236491,,,0.0,,,,,,,,,,0.0,,,,
Cc1c(OCC(F)(F)F)ccnc1CSc1nc2ccccc2[nH]1,CID1094080,,,,,,,,,,0.0,,,,,,,
CCN(CC)c1ccc(C(=O)OCC(=O)c2ccco2)cc1,CID2435261,,,,0.0,,0.0,,,,,0.0,,0.0,,,0.0,
CCN1CCN(CCCNC(=O)c2ccc(/C=C3/Sc4ccccc4N(Cc4ccccc4F)C3=O)cc2)CC1,CID16189324,,,,,,,,,,,,,,0.0,,,
COc1ccc(C2C(C(C)=O)=C(O)C(=O)N2c2nc3ccccc3s2)c(OC)c1,CID3139914,,,,,,0.0,,,,,,,,,,,
CCOc1cc(C2C(C#N)=C(N)OC3CCCC(=O)C32)ccc1OCCN1CCOCC1,CID660909,,,,0.0,,,,,,,,0.0,,,,0.0,
CC(OC(=O)CCc1nc(=O)c2ccccc2[nH]1)C(=O)NC1CCCC1,CID3629528,,,,,,,,,,,,,,0.0,,,
Cc1cccc(-n2cnc3c(c2=O)c2nc4ccccc4nc2n3Cc2ccco2)c1,CID660904,0.0,,0.0,,,,,,,,,,,,,,
Cc1nnc(SCc2nc3ccccc3[nH]2)s1,CID660900,0.0,0.0,,,0.0,0.0,0.0,,,,0.0,,,,,,
CSc1ccc(C(=O)C(C)(C)N2CCOCC2)cc1,CID92387,,,,,0.0,,0.0,0.0,,,,,0.0,,,,
O=C1CSC(=S)N1Cc1cccnc1,CID317081,,,,,,,0.0,,,,,,,,,,
Cc1c(NC(=O)CS(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C,CID2222390,,,,,,,,,,,,,,0.0,,,
c1ccc(-c2noc(-c3cccnc3)n2)nc1,CID798247,,,,,,,,0.0,,,,,,,,,0.0
Cc1nn(-c2ccccc2)c2nc3c(cc12)C(=O)CCC3,CID2377208,,,,,,,,,,,,,,0.0,,,
CCOc1cc(C)ccc1OCc1nnc(SCC(=O)c2cccc([N+](=O)[O-])c2)n1CC,CID1254031,,,,,,0.0,,,,,,,,0.0,,,
CCC(CC)C(=O)Nc1nc(-c2ccc3c(c2)CCN3C(=O)C2CC2)c(C)s1,CID1458728,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C(C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)C2COc3ccccc3O2)o1,CID3188472,,,,,,,,,0.0,,,,,,,,
O=C(NCc1ccccc1)C(c1ccccc1)N(Cc1cccs1)C(=O)c1cnccn1,CID3188478,,,,,,,,,,,,0.0,,,,,
O=C(Nc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2s1)c1cccs1,CID2138881,,,,,,,,,,,,,,,0.0,,
CCOc1ncccc1C(=O)NCCN1C(=O)S/C(=C/c2cccs2)C1=O,CID2079602,,,,,,,,,,,,,,,0.0,,
O=C1c2oc3ccc(F)cc3c(=O)c2C(c2ccncc2)N1CCN1CCOCC1,CID4896219,,,0.0,,,,,,,,0.0,,0.0,,,,
COc1ccc(CNC(=O)C(C)NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1,CID5389651,,,,,,,,0.0,,0.0,,,,,,,
O=C(CCn1cnc2ccccc2c1=O)Nc1ccc2c(c1)OCCO2,CID1291165,,0.0,0.0,,,,,0.0,0.0,,,,,,,,
COC1=C/C(=C2/C=C(c3cccs3)NN2)C(=O)C=C1,CID5742547,,,,,,0.0,,,,,,,,,,,
O=C1/C(=C\Nc2ccc(Cl)cn2)c2ccccc2C(=O)N1c1cc(Cl)ccc1N1CCOCC1,CID5742544,,,,,,,,,,,,0.0,,0.0,,,
O=C(Cn1ccc2ccccc2c1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID3240059,0.0,0.0,0.0,,,,,,0.0,,,,0.0,,,,
CCOC(=O)N1CCC(NC(=O)Cn2ncc3c4ccccc4n(C)c3c2=O)CC1,CID3240058,0.0,,,,,,0.0,,,,0.0,,,,,0.0,
O=C(CCCc1nc2ccccc2s1)N1CCN(c2ccccc2)CC1,CID2099902,,,,,,,,,,,,,,0.0,,,
O=C(COC(=O)C(Cc1ccccc1)NC(=O)c1ccco1)NCc1ccccc1,CID2646036,,,,,,,,,,,,0.0,,,,,
CCOC(=O)C1C(C)N=C2SCC(=O)N2C1c1cccc(Br)c1,CID4644361,0.0,,,,,,,,,,,,,,,0.0,
CC(C)(C)C1CCC(=NNC(=O)CC(=O)NCc2ccccc2)CC1,CID765728,,,,,,,,,,,,,,0.0,,,
Cc1ccc(CN2CCN(C(=O)C3CCCO3)CC2)cc1,CID2971292,,,,,,,,0.0,,,,,,,,,
CN1CCN(c2cc(N3CCCC3)c([N+](=O)[O-])cc2F)CC1,CID2915916,,,,,,,,,,,,0.0,,,,,
Cc1ccc2nc(Cl)c(CN(C(=O)c3cnccn3)C3CCCCC3)cc2c1,CID1459794,,,,,,,,,,,,,,,0.0,,
O=C1CC(c2ccccc2)CC(=O)C1=CNCC1CCCO1,CID551311,,,,0.0,,0.0,,,0.0,,,,0.0,,,,
O=c1cc(NS(=O)(=O)c2ccccc2)[nH]c(SCc2ccccc2Cl)n1,CID1136134,,,,,,,,,,,,,,0.0,,,
Cn1nnc2cc(NC(=O)N3CC4(C)CC3CC(C)(C)C4)ccc21,CID2942729,,,0.0,,,,,0.0,,,,0.0,0.0,,,,
O=C1c2ccccc2C(=O)N1Cc1cccnc1,CID709455,,,,,,,,,,,,,,,0.0,,
Cc1ccc(OC(=O)CCC(=O)Nc2ccc(Br)cc2)cc1,CID1011913,,,,,,,,,,,,,,,0.0,,
CC1(C)CC(=O)C=C(Nc2cc(-c3ccccc3)[nH]n2)C1,CID880975,,,0.0,,,,,,,,,,,,,,
CC1=C(C(=O)Nc2ccccc2)C(c2ccncc2)C(C#N)=C(SCC(=O)NC2CC2)N1,CID660138,,,,,0.0,,,0.0,,,,,,,,0.0,
O=C(c1cccc2cccc(O)c12)N1CCCCC1,CID660137,,,,,,,0.0,,0.0,,0.0,,,,,0.0,
O=C(C(c1ccccc1)c1ccccc1)N1CCN(Cc2ccc(Br)cc2)CC1,CID1122537,,,,,,,,,,,0.0,,,,,,
COc1cc(-c2c(C#N)c(N)nc(SCc3ccncc3)c2C#N)cc(OC)c1OC,CID660130,,,,,0.0,0.0,,,,,,,,,,,
O=C(c1ccc(-c2ccccc2)cc1)N1CCCC1,CID762734,,0.0,,0.0,,0.0,,0.0,,,,,,,,,
O=C(COc1ccc2ccccc2c1)NC1C2CC3CC(C2)CC1C3,CID874795,,,,,,0.0,,,,,,,,,,,
Clc1cccc(NCc2nnc(SCc3ccccc3)o2)c1,CID646816,0.0,0.0,0.0,,0.0,,,,,0.0,,,,,0.0,,
Cc1ccc(NC(=O)CS(=O)CC(=O)N(C2CCCC2)C(C)C(=O)NC2CCCCC2)cc1,CID646813,,,0.0,,0.0,,,0.0,,,,,,,,,0.0
O=C(CSc1nc2ccccc2s1)N/N=C/c1ccco1,CID687735,,,,,,,,,,,,,,,0.0,,
COc1ccc(CNC(=O)C2CSCCS2)cc1,CID2999482,,,,,,0.0,0.0,,,0.0,,0.0,,,,,
CCc1cc(=O)oc2cc(OC/C=C/c3ccccc3)ccc12,CID2269574,,,,,,0.0,,,,,,,,,,,
CCc1ccc(NC(=O)C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1,CID580304,,,,,,0.0,,,,,,,,,,,
COc1ccc(CNC(=O)C(c2ccco2)N(C(=O)Cc2cccs2)c2cccnc2)cc1,CID3210865,,,,,,,,,,,,,,0.0,,,
Cc1nc(C#N)c(NCc2ccc3c(c2)OCO3)o1,CID696149,,,,,,,,,0.0,,,,,,0.0,,
O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1ncn[nH]1,CID647315,1.0,0.0,,0.0,,0.0,0.0,,,,,,,,,0.0,
Cc1nnc2sc(-c3ccc(-c4ccc(Cl)c(C(F)(F)F)c4)o3)nn12,CID664177,,,,,0.0,,,,,,,,,,,,
Cc1nc(N(C)C)c2sc(=S)n(C)c2n1,CID718518,,,,0.0,,,,,,,,,,,,,
O=C1/C(=N/Nc2ccccn2)C=Cc2ccccc21,CID5718138,,,,,,1.0,,,,,,,,,,,
CC1=NN(C(=O)c2ccccc2Br)C(O)(c2cccnc2)C1,CID3123700,,,,,,,,,,,,0.0,,,,,
CC1(c2ccccc2)CC(c2ccccc2)=NC2=NONC2=N1,CID5367179,,,,,,,,0.0,,0.0,,0.0,,,,,
O=C(Nc1ccon1)c1csc2ccccc12,CID1247454,,0.0,,,0.0,,0.0,,,,0.0,,,,,,
Cn1c(NC(=O)c2ccccc2NC(=O)c2ccco2)nc2ccccc21,CID661261,,,,,,,,,,,,,,,0.0,,
O=C(OCC#CCSc1nc2ccccc2o1)c1ccco1,CID661262,,,,,,,,0.0,0.0,,,,,0.0,0.0,,
NC1=CC(=O)c2cccc3cccc1c23,CID2794423,,,,0.0,,,0.0,,,,,,,,,,
COC(=O)c1ccccc1NC(=O)COC(=O)CSCC(=O)N1CCOCC1,CID2997530,,,0.0,,,,,0.0,,,,,,,,,
CCCCN1C2CCCC1CC(NC(=O)C1CCCCC1)C2,CID3218215,,,,,,,,,,,0.0,,,,,,
O=C(Nc1ccc2ccccc2c1)c1cccnc1,CID765753,,,,0.0,0.0,,,0.0,,0.0,,0.0,0.0,,,0.0,
O=C(O)CCN1C(=O)c2ccncc2C1=O,CID712563,,,,,,,,,,,,,0.0,,,,
CCC(=O)Nc1nnc(SCC(=O)c2ccc3c(c2)Cc2ccccc2-3)s1,CID3157351,,,,,,0.0,,,,,,,,,,,
COc1ccc(-c2nc(NC(=O)Cn3cnnn3)sc2C)cc1,CID2564183,,,,,,,,,,,,,,,0.0,,
C=C(C)c1cccc(C(C)(C)NC(=O)NCc2ccncc2)c1,CID757316,,,,,,,,,,,,,,,0.0,,
O=C(Nc1nc(-c2ccccc2)cs1)C1CCCN(S(=O)(=O)c2ccccc2)C1,CID2998748,,,,0.0,,,,,,0.0,,,,,,,
CCCSc1nnc(CN2CCOCC2)n1C,CID2201244,,0.0,,,,,,0.0,,,,0.0,,,,,
O=c1c2ccccc2nnn1COc1cccc2ccccc12,CID2445490,,,,,,,,,,,,,,0.0,0.0,,
CC1(C)CN(c2ccccc2)N(Cc2ccc(F)cc2)C1=O,CID3850468,,,,,,,,,,,,,,,0.0,,
O=C(c1ccc2c(=O)n(CC3CCCO3)c(=S)[nH]c2c1)N1CCN(c2ccccc2)CC1,CID3235607,,0.0,,0.0,,,,0.0,,,,,0.0,,,0.0,0.0
COc1ccc(-c2nnc(CSc3nnc(-c4ccncc4)n3C3CCCCC3)o2)cc1OC,CID653457,,,,,,,0.0,,,,,,,0.0,,,
COc1cc(S(=O)(=O)N2CCCC3(CCCCC3)C2)ccc1-n1cnnn1,CID653456,0.0,,,,0.0,0.0,,,,,,,,,,0.0,0.0
CC(=O)c1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)Cc4ccccc4)CC3)CC2)cc1,CID653452,,,,,,,,,,,,0.0,,,,,0.0
Cc1cc(C)n(C(=O)CN2C(=O)COc3ccccc32)n1,CID653451,,,,0.0,,0.0,,,0.0,,,,,,,,
O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CCC2)Nc1ccccc1,CID15945244,,,,,,,,,,,,,,,0.0,,
N#CC(=C1CCCC1)c1nc(-c2cc3ccccc3oc2=O)cs1,CID717089,,,,,,,,,,,,,,0.0,,,
O=C(Nc1cc(-c2nn(CC(=O)N3CCCCC3)c(=O)c3ccccc23)ccc1N1CCOCC1)c1ccc(Cl)cc1,CID2941872,,,,,,,,,,,,0.0,,,0.0,,
CC1(C)CC(=O)C(=NNc2ccc3ncsc3c2)C(=O)C1,CID829514,,,,,,,,,,,,,,,0.0,,
c1ccc(-c2n[nH]nc2-c2ccccc2)cc1,CID613500,,0.0,,,,,,,,,0.0,,,,,,
O=C(COc1ccc(/C=N/NC(=O)c2ccccc2)cc1)Nc1ccc([N+](=O)[O-])cc1,CID3116791,,,,,,0.0,,,,,,0.0,,,,,
Cc1ccc(C)c(Nc2ccc(C(=O)NCCc3ccccc3)cn2)c1,CID1441188,,,,,,,,,,,,,,,0.0,,
Cc1ccccc1Nc1nc(N)nc(CSCc2c(C)noc2C)n1,CID2576482,,,,0.0,,,,,,,,,,,,,0.0
COc1ccc(C(=O)Nc2c(N)[nH]c(SCC(=O)N3CCCCCC3)nc2=O)cc1OC,CID2149735,,,,,0.0,,,,,,,,,,,,
O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccccc1C(=O)NC1CCCCC1,CID1223348,,,,,,,,,0.0,,0.0,,,,,,
CCOC(=O)C1(CCCc2ccccc2)CCN(Cc2cnc(C)s2)CC1,CID16187344,,,,,,,,,,,,,,,0.0,,
O=C1C=CC=C/C1=C1/C=C(C(F)(F)C(F)F)NCCN1,CID5393864,,,,0.0,,,,,,,,,,,,,
CCOc1cc(NC(=O)c2ccco2)c(OCC)cc1NC(=O)CCC(=O)NCc1cccnc1,CID656300,,,,,,,,0.0,,,,,,,,,
COC(=O)C1=C(C)NC(=O)C1(NC(=O)CN1CCCC1=O)C(F)(F)F,CID2969182,,,,,,,,,0.0,,,,,0.0,,,
Cc1ccc(C(=O)N(NC2=NS(=O)(=O)c3ccccc32)S(=O)(=O)c2ccc(C)cc2)cc1,CID1007499,,,,,,0.0,,,,,,,,,,,
Cc1cc(C=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1,CID2894937,,,,,,0.0,,,,,,,,0.0,0.0,,
CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)N2CCOCC2)c1,CID2358469,,,,,,,,,,,,,,0.0,0.0,,
O=C(Oc1ccc2ccc(OC(=O)N3CCOCC3)cc2c1)N1CCOCC1,CID1077596,,,,,,,,,0.0,,,,,,0.0,,
O=C(CCc1nc2ccccc2[nH]1)N1CCN(C(=O)c2ccco2)CC1,CID5307157,,,,,,,,0.0,,,,,,,,,
CCCc1cc(=O)nc(SCC(=O)NCCC2=CCCCC2)[nH]1,CID2521393,,,,,,,,,,,,,,0.0,,,
Cc1ccc(-c2cc(C(=O)Nc3nn[nH]n3)c3ccccc3n2)c(C)c1,CID845043,,,,,,,,,,,,,,,0.0,,
CCn1c(=O)cc(OCC(=O)N2CCc3ccccc32)c2ccccc21,CID5307151,0.0,,,,,,,,,0.0,,,,,,0.0,
CCCS(=O)(=O)N1CCN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC1,CID3319585,,,,,,,,,,,,,,0.0,,,
O=C(Cn1cc2c(n1)CCCC2)Nc1cc(-c2cccc(Cl)c2)no1,CID5307159,0.0,,,,,,,,,,,,0.0,,,0.0,
CCCCn1c(N)c(N(CC(C)C)C(=O)CN(C)Cc2cccc(OC)c2)c(=O)[nH]c1=O,CID2115877,,,,,,,,,0.0,,,,,,,,
O=C1C=CC=C/C1=C1/C=C(c2ccc3c(c2)OCCO3)NN1,CID5742561,,,0.0,,,0.0,,,,,,,,,,,
Cc1oc2ccc(OCC(=O)OCc3ccccc3)cc2c1C(=O)OC(C)C,CID2891536,,,,,,0.0,,,,,,,,,,,
O=c1[nH]c(Cn2nnc(-c3ccccc3)n2)nc2scc(-c3ccccc3)c12,CID2385273,,0.0,,,,,,,,,,,0.0,,,,
O=C(/C=C/c1ccco1)NC(=S)N(Cc1ccccc1)c1ccccc1,CID1380285,,,,,,0.0,,,,,,,,,,,
N=c1oc2ccc3ccccc3c2cc1-c1nnc2n1CCCCC2,CID2998492,,0.0,,0.0,,,0.0,,,,0.0,0.0,,,,,
O=S(=O)(c1ccc(Oc2ncnc3scc(-c4ccccc4)c23)cc1)N1CCOCC1,CID2998493,,,,,,,,,,,0.0,,,,,,0.0
O=C1CSC(=S)N1c1cccnc1,CID2998490,,,0.0,,,,0.0,,,,,,,,,,
Cc1cc(NC(=O)CN2C(=O)C3CC=CCC3C2=O)no1,CID2998491,,,,,,,,,,,0.0,,,,,,
CC1CCC(C(C)C)C(OC(=O)COC(=O)c2cccn2C)C1,CID2998496,,,,,,,,0.0,,0.0,0.0,,0.0,,,,
CCCC(NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1ccc(C(=O)OC)o1,CID2998494,,,0.0,,0.0,,,0.0,0.0,,,0.0,0.0,,,,
O=C(Cc1cn2ccsc2n1)NCCc1ccc(F)cc1,CID2998495,,0.0,,,,,0.0,,,,0.0,,,,,0.0,
CC1=C(C)C(=O)NC(Nc2nc(C)c3cc(C)cc(C)c3n2)N1,CID2998499,,0.0,,,,,0.0,,0.0,0.0,,,,,,,
COC(=O)c1cn(Cc2cccnc2)c(=O)c2ccccc12,CID2766398,,,,,,,,,,,,,,0.0,,,
O=C(CN(C1CC1)S(=O)(=O)c1ccc(S(=O)(=O)NC2CCCCC2)cc1)Nc1ccccc1,CID647336,,,0.0,,,,,,,,,,,,,,
O=C(c1ccc(N2CCOCC2)cc1)c1cccs1,CID647330,,,,0.0,,,,,0.0,,,,,,,,
c1ccc2c(c1)OCC(c1csc3ncnc(N4CCCC4)c13)O2,CID2913118,,,,,,,,,,,0.0,,,0.0,,,
O=C(OCCCN1CCCCC1)c1ccc(O)cc1,CID651587,,,,0.0,,,0.0,,,,,0.0,,,0.0,0.0,0.0
CN1C(=O)C(Cc2ccsc2)C(=O)N(C)C1=O,CID647339,,,,,,,,0.0,0.0,,,,,,,,
COc1cccc(NC(=O)c2cc(Cl)nnc2Cl)c1,CID6405267,,,,,,,,,,,,,,0.0,,,
O=C(CSc1ccc2nnc(-c3ccncc3)n2n1)N1CCc2ccccc21,CID5310507,,,,,,,,,,0.0,,,,,,0.0,
O=C(COC(=O)CCc1c[nH]c2ccccc12)NCc1ccccc1,CID2474873,,,,,,,,,,,,,,,0.0,,
O=C(O)C1CCCN1c1ncccn1,CID656362,,,0.0,,,,,,,,,,,,,,
CCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1cccs1,CID2060509,,,,,,,,,0.0,0.0,0.0,,,,,,
Cc1occc1C(=O)NN/C=C1\C=Nc2ccccc21,CID6537677,,,,,,0.0,,,,,,,,,,,
CC12CCC(c3c(C(=O)O)nn(-c4ccccc4)c31)C2(C)C,CID2770869,,,0.0,,,,,,,,,,,,,,
CN(c1ccccc1)c1nc(-n2ccnc2)nc(-n2ccnc2)n1,CID1266897,,,,,0.0,,,,,,,,,,,,
Cc1ccc2oc(=O)c3cc(C(=O)NCc4ccco4)sc3c2c1,CID5308152,0.0,,,,,0.0,,0.0,,,,,0.0,,,0.0,
O=C(Nc1ccc2sccc2c1)c1ccc(Cl)s1,CID5310109,,,,,,,,,,,,,0.0,,,,
CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CN3CCN(C(=O)c4ccco4)CC3)c12,CID665208,,,,,,,,0.0,,,0.0,,,,,,
CCc1nnc(NC(=O)CN2C(=O)CCC2=O)s1,CID2913282,,,,,,,,,,,,,,,0.0,,
COc1ccc2nc(CC(C)(C)CC(=O)O)c[n+]([O-])c2c1,CID665203,,,0.0,,,,0.0,0.0,,,,,0.0,,0.0,,
COC(=O)c1sccc1NC(=O)CSc1ccc(Cl)cc1,CID700464,,,,,,,,,,,,,,0.0,0.0,,
CC(=O)Nc1ccc(OCC(O)CN2CCN(Cc3ccccc3)CC2)cc1,CID2962064,0.0,,,,,,,,,,,,,,,0.0,0.0
Cc1oc2ccccc2c1/C=N/n1cnc2sc3c(c2c1=O)CCCC3,CID5344067,,,,,,0.0,,,,,,,,,,,
Nn1c(Cc2ccccc2F)nnc1SCC(=O)N1CC(=O)Nc2ccccc21,CID2565448,,0.0,0.0,,,,,,,0.0,0.0,,0.0,,,0.0,
O=C(/C=C/c1ccccc1)Oc1ccccc1C(=S)N1CCOCC1,CID1142407,,,,,,,,,,,,,,0.0,,,
O=C(COc1ccc2ccccc2c1)NC1CC1,CID2164286,,,,,,,,,0.0,,0.0,,,,,,
Cc1cc(=O)n2nc(N3CCCC3C(=O)NCc3ccccn3)sc2n1,CID3239108,,0.0,,0.0,0.0,,,,,,,,,,,,
CCOc1ccccc1N(CC(=O)NC(C)(C)C)C(=O)c1ccc(CN2CCOCC2)o1,CID652333,,,0.0,0.0,,,,0.0,,,,,,,,,
Cc1sc2nc(CN(Cc3cccs3)C(=O)C3CC3)[nH]c(=O)c2c1C,CID652332,0.0,,0.0,,0.0,0.0,,,,,,,0.0,0.0,0.0,,
Cc1cc(=O)oc2cc(NC(=S)NCc3ccccn3)ccc12,CID970707,,,,,,,,,,,,,,0.0,,,
Cc1c(C(=O)N2CCN(c3ncccn3)CC2)sc2nc3n(c(=O)c12)CCCC3,CID3244171,,,,,0.0,,,0.0,,,,,,,,0.0,
CCOC(=O)N1CCC(NC(=O)C2CCC(CNS(=O)(=O)c3ccc(OC)cc3)CC2)CC1,CID3239107,,,,,0.0,0.0,,,,0.0,0.0,,,,,,
c1ccc2c(Cn3nnc4ccccc43)cccc2c1,CID775930,,0.0,,,,,,0.0,,,,,,,0.0,,
COc1ccc2nc(NC(=O)CCNS(=O)(=O)c3ccc4c(c3)oc(=O)n4C)sc2c1,CID3239101,,0.0,,,0.0,,,,,0.0,,,,,,,
COc1ccc(-c2csc3[nH]c(=S)n(-c4ccccc4)c(=O)c23)cc1OC,CID982954,,,,,,,,,,,,,,0.0,,,
COc1ccccc1N1C(=O)C2CCC(c3ccccc3)CC2C1=O,CID5214574,,,,,,,,,,,,,,,0.0,,
N#CC1=C(N)Oc2cc3ccccc3cc2C1c1cccnc1,CID5260621,,,,,,,,,0.0,,,,,,,,
O=C(O)C1C2C=CC(C2)C1C(=O)NC1CCS(=O)(=O)C1,CID648172,,,,,,,,,,,,0.0,,,,,
O=C(Nc1ccc(Cc2ccncc2)cc1)C1CCC(N2C(=O)C3C4C=CC(C4)C3C2=O)CC1,CID2915429,,,,,,,,,,,,,,0.0,,,
O=C1NCN(c2ccccc2)C12CCNCC2,CID70556,,,,0.0,,0.0,0.0,0.0,,,,0.0,0.0,,,0.0,
CN1CCN(/C=N/c2c(C#N)cnn2C)CC1,CID918467,,0.0,,0.0,,,0.0,,,,,,,,,,
Cc1ccc(-c2noc(CSc3nc(N)cc(N)n3)n2)cc1,CID707119,,0.0,,0.0,,,,,,0.0,,,0.0,,0.0,0.0,
Cn1ncc(C#N)c1/N=C/N1CCOCC1,CID918465,,,,0.0,,,0.0,,,,,,0.0,,,,
COc1ccc(C(C)=O)cc1COC(=O)Cn1cnc2ccccc2c1=O,CID2541165,,,0.0,,,,,,,,,,,,,,
CN(CC(=O)NCCCN1CCOCC1)S(=O)(=O)c1ccc(Br)cc1,CID2977526,,,,,,,,,0.0,,0.0,,,,,,0.0
N=c1c2c3c(sc2ncn1N)CCCCC3,CID644665,,,,,,,,,,,,,0.0,,,,
COCC(C)n1c(C)cc(C(=O)Cn2nc(C(=O)O)c3ccccc3c2=O)c1C,CID3428733,,,,,,,,,,,,,,,0.0,,
Cc1cccc(C(=O)NC(C(=O)Nc2ccc(S(=O)(=O)NC3=NCCCCC3)cc2)C(C)C)c1,CID16196737,,,,,,,,,,,,,,0.0,,,
O=c1cc(/C=C/c2ccccc2)oc2ccccc12,CID754332,,,,,,,,,,,,,,0.0,,,
O=S(=O)(NCc1ccncc1)c1ccc(S(=O)(=O)NCC2CCCO2)cc1,CID644660,,,,,0.0,,,,,,0.0,,0.0,,,,
Cc1cc(C)n(C(=O)CCCCCCCCC(=O)n2nc(C)cc2C)n1,CID2133924,,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccccc1)OCCCc1ccccc1,CID2254838,,,,,,,,,,,,,,0.0,,,
Cn1ncc(C#N)c1/N=C/N1CCCCCC1,CID918468,,,,,,,,,,0.0,,0.0,,,,,
N#Cc1cc(Oc2ccc3ccccc3c2)c(-n2nnc3ccccc32)cc1C#N,CID1519540,,,,,,,,,,,0.0,0.0,,,0.0,,
CC1CCc2c(sc3ncnc(NCCN4CCOCC4)c23)C1,CID2922119,,,0.0,,,,,,,,,,,,,,
COc1ccccc1/C=N/N/C(=N\c1ccc(C)cc1)c1nc2ccccc2s1,CID2922113,,,,,,0.0,,,,,,0.0,,,,,
COc1ccc2oc(C(=O)c3ccccc3)c(NC(=O)CN3CCN(C)CC3)c2c1,CID660634,,,,,,,,,0.0,,,0.0,,,,,
COc1ccc(-n2c(C)cc(C(=O)COC(=O)Cn3cnc4ccccc43)c2C)cc1,CID2421595,0.0,,0.0,,0.0,,,0.0,0.0,0.0,,0.0,0.0,,,,
COc1ccc(OC)c2sc(NNC(=O)C3COc4ccccc4O3)nc12,CID16194993,,,,,,,,,,,,,,0.0,,,
O=C(NCC1CCCO1)c1ccc2nc(N3CCCCC3)sc2c1,CID5308430,0.0,0.0,0.0,,,,,,,,,,,,,0.0,
O=C1CCCC2=C1C(c1cccc(Br)c1)N1NC(c3ccco3)=NC1=N2,CID5308431,0.0,,,,,,0.0,,,,,,,,,0.0,
O=C(Nc1ccc2snnc2c1)N1CCN(c2ccccc2)CC1,CID778342,,,,,0.0,,,,,0.0,,,0.0,,,0.0,
COc1ccc(-c2cc(CCCC(=O)N3CCN(C(=O)c4ccco4)CC3)no2)cc1,CID5308433,0.0,,0.0,,,,,0.0,0.0,,,0.0,,0.0,,,
O=C1CC(Nc2ccccc2)C(=O)N1c1ccc(N2CCOCC2)cc1,CID2883916,,,,0.0,,,,,,,0.0,0.0,,,,,
Cc1nc(Nc2ccc3c(c2)OCCO3)c2oc3ccccc3c2n1,CID663434,,0.0,,,,,,,0.0,,,0.0,,,,,0.0
CCCCN1C(=O)/C(=c2\sc3nc(=O)c(-c4ccccc4)nn3c2=O)c2ccccc21,CID3875195,,,,,,0.0,,,,,,,,,,,
CC1(C)Cc2c(C#N)c(N)sc(=S)c2CS1,CID776673,,,,,,,0.0,,,,,,,,,,
CCOC(=O)N1CCN(Cc2nc(CC3CC3)no2)CC1,CID16190197,,,,,,,,,,,,,,,0.0,,
COC(=O)C(CC(=O)Nc1cc(C)ccc1C)Nc1ccccc1OC,CID2999439,,,,,,,0.0,0.0,0.0,,,0.0,,,,,0.0
COC(=O)C1C(=O)C2=C(CC1C)NC(C)=C(C(=O)OC(C)C)C2c1ccc(C)o1,CID2962881,,,,,,,,,,,,,,0.0,,,
O=S1(=O)N=C(Nc2nc3c(s2)CCCC3)c2ccccc21,CID975463,0.0,0.0,0.0,,0.0,,,,0.0,0.0,0.0,,,0.0,,,
CCn1c(-c2cc(-c3ccc(OC(C)C)cc3)nc3ccccc23)n[nH]c1=S,CID998950,,,,,,,,,,,,,,0.0,,,
O=C1C2C3C=CC(C3)C2C(=O)N1c1ccc2ccccc2n1,CID2928182,,,,,,,,,,0.0,,0.0,,,,,
O=S(=O)(c1ccc2c(c1)oc1ccccc12)N1CCOCC1,CID2926916,,,0.0,,,,,,0.0,,,,,,0.0,,
c1csc(-c2noc(COc3ccc4c(c3)CCCC4)n2)c1,CID2228311,,,,0.0,,,,0.0,,,,,,,,0.0,0.0
O=C(CSc1nnnn1-c1ccccc1)N1CCc2ccccc21,CID892611,,0.0,,0.0,0.0,,,,,,,,0.0,0.0,,0.0,0.0
O=C(CCC1CC(=O)Nc2ccccc21)NCc1ccccc1,CID3596631,,,,,,,,,0.0,,,,,,,,
CN1CCCN(C2C3CC4CC(C3)CC2C4)CC1,CID825709,,,,,,0.0,,,,,,,,,,,
Cc1c(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(=O)n(C)c(=O)n1C,CID9551580,,,,,,,,,,,0.0,,,,,,
O=C1C=CC=C/C1=C1/NN=C(SCCN2CCOCC2)N1Cc1ccccc1,CID5770358,,,0.0,,,0.0,0.0,,,,,,,,,,
N/C(=N\OS(=O)(=O)c1ccc2ccccc2c1)c1ccncc1,CID9551587,,,,,,,,,,,,0.0,,,,,
Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1,CID1460183,,,,,,,,,,,0.0,,,,,,
Cc1nc2ccc3nc(NC(=O)c4ccc(S(=O)(=O)N5CCOCC5)cc4)sc3c2s1,CID3243221,,,,,0.0,,,,,,,,,,,,
O=C(NCc1ccccn1)C1CCCN(S(=O)(=O)c2cccc3nsnc23)C1,CID3243220,,0.0,0.0,0.0,0.0,0.0,,,,,,,,,,0.0,
O=c1[nH]n(-c2cccc3cccnc23)c(=O)c2ccccc12,CID3243226,,,,,,0.0,,,0.0,,,,0.0,,,,
Cc1noc(NS(=O)(=O)c2ccc(NC(=O)CCC3CCCC3)cc2)c1C,CID3236132,,,,,,,,,,,,,,,,0.0,0.0
Cc1cccc(C)c1NC(=O)CC(NCc1ccco1)C(=O)O,CID3236137,,,,,0.0,,,0.0,,,,0.0,,,,,0.0
Cc1occc1C(=O)NNC(=S)NCc1ccc(Cl)cc1,CID970235,,,,,,,,,,,,,,,0.0,,
Cc1cc2ccccn2c1C(=O)c1ccc([N+](=O)[O-])o1,CID2322061,,,,,,,,,,,,,,,0.0,,
O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCSC1c1ccccc1,CID2876721,,,,,,0.0,,,,,,,,,,,
O=C(NC(Cc1ccccc1)C(=O)O)OCc1ccccc1,CID100081,,,,,,0.0,,,,,,,0.0,,0.0,,
Cc1cc(Cl)c(S(=O)(=O)N2CCCCCC2)cc1OCC(=O)NC1CCCCC1,CID1293677,,,,,,,,,,,,0.0,,,,,
Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c4cccnc34)CC2)cc1,CID2901100,,,,,,,,,,,,,,0.0,,,
O=C(CCCc1cccs1)Nc1nc2c(s1)CCCC2,CID2998856,,0.0,0.0,,0.0,,,,,0.0,,,0.0,,,,
c1csc(-c2nc3nc4ccccc4nc3n2Cc2ccc3c(c2)OCO3)c1,CID662002,,,,,0.0,,,,,,0.0,,,,,,
O=c1c2c3nc4ccccc4nc3n(-c3ccc4c(c3)OCCO4)c2ncn1CC1CCCO1,CID662003,0.0,,0.0,,,0.0,,,,,,,,,,,
Cc1cc(C)n2nc(C(=O)NNC(=O)c3ccccc3)nc2n1,CID2514277,,,,,,,,,,,,,,,0.0,,
Cc1c(C(=O)N2CCCCC2)sc(NC(=O)C2CC2)c1C#N,CID650633,0.0,0.0,,,0.0,,0.0,,,,,,,,,0.0,
Cc1cccc(-n2c(SCC(=O)Nc3ncc(Cl)cc3Cl)nc3ccccc32)c1,CID4430463,,,,,,,,,,,,,,0.0,,,
CC1(C)Cc2c(sc3ncnc(NNC(=S)NCc4ccccc4)c23)CO1,CID1959989,,,,,,,,,,,,,,0.0,,,
N/C(=N\OC(=O)CCC1CCCCC1)c1ccccn1,CID9587198,,,,,,0.0,,,,,,,,,,,
OC(c1cccnc1)c1cccs1,CID650499,,,,,0.0,,,,,,,,0.0,,,,
Cn1cc([N+](=O)[O-])c(C(=O)NCc2cc3cc(Cl)ccc3[nH]2)n1,CID843624,,,,,,,,,,,,,,,0.0,,
Cn1c(=O)[nH]c(=O)c2c1nc(NC1CCCCC1)n2CC(=O)NC1CCCCC1,CID657449,,0.0,0.0,,,,,,,,,,,,,,0.0
O=C(CCN1c2ccccc2Sc2ccccc21)OCC(=O)N1CCN(C(=O)c2ccco2)CC1,CID2394567,,,0.0,,0.0,,,0.0,,,0.0,,,,,,
Cn1cccc1C(=O)NC(=O)CSc1nc2ccccc2s1,CID2098159,0.0,0.0,,,0.0,,0.0,,,,,,,0.0,,,
COc1nc(N/N=C/c2ccccc2F)nc(N2CCCCC2)n1,CID2873843,,,,,,,,,,,,,,0.0,,,
Cc1cc(C(F)F)n2nc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)nc2n1,CID995433,0.0,,,,0.0,,,,,0.0,0.0,,0.0,,,0.0,
CC(C)N(CCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N(C)C)cc2c1=O)Cc1ccccc1,CID5309252,,,,,,,,,,0.0,,,,,,,
Cc1cc(NC(=O)C23CCC(C)(c4nc5cc(Cl)c(Cl)cc5nc42)C3(C)C)no1,CID2954217,0.0,,,,,,,,,,,,,,,,
Cc1ccc2c(CSc3nncn3C)cc(=O)oc2c1C,CID2515107,,,,,,,,,,,,,,,0.0,,
Cc1ccc2nsnc2c1S(=O)(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID1242603,0.0,0.0,0.0,0.0,0.0,,,,0.0,0.0,,,0.0,0.0,,0.0,0.0
O=C1c2cccnc2C(=O)N1c1ccccc1-c1ccccc1,CID888605,,,,,,,,0.0,,,,,,,,,
c1ccc(-c2nnc(CN3CCC4(CC3)OCCO4)o2)cc1,CID1631759,,,,,,,,,,,0.0,,,0.0,,0.0,
Clc1cccc(C2CCN(Cc3nc(COc4ccccc4)no3)C2)c1,CID16187818,,,,,,,,,,,,,,,0.0,,
Nc1ncc(Br)cc1S(=O)(=O)NCCC(=O)N1CCN(c2ncccn2)CC1,CID3244157,0.0,,,,,,,,0.0,,,,,,,,
O/N=C1\CCSc2ccccc21,CID85919,,,,,0.0,,,,,,,,,,,,
Cc1sc2c(c1C)C(c1cccs1)=NCC(=O)N2CC(=O)NCc1cccs1,CID652352,,,,0.0,0.0,,,,0.0,,0.0,,,,0.0,0.0,
Cc1cc(C)n(Cc2cnc(N3CCOCC3)s2)n1,CID1481542,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)c2c[nH]c(C(=O)NCC3CCCO3)c2)cc1,CID3727855,,,,,,0.0,,,,,,,,,,,
c1ccc(Cn2nnc3c(N4CCOCC4)ncnc32)cc1,CID718496,,,,,,,,,,,,0.0,,,0.0,,
c1ccc(Cn2nnc3c(N4CCCCCC4)ncnc32)cc1,CID718499,,,,,0.0,,,,,,,0.0,,,,,
O=C(O)c1cccc(S(=O)(=O)NCCC(c2ccccc2)c2ccccc2)c1,CID2555971,,,,,,,,,,,,,,0.0,,,
Cc1cccc(NC(=O)NNC(=O)c2c(Cl)c(C)nn2C)c1,CID831861,,,,,,,,,,,,,,0.0,,,
COc1cccc(N2CC(C(=O)Nc3nnc(SCc4cccnc4)s3)CC2=O)c1,CID12006104,,,,,,,,,,,,,,,0.0,,
CC1(C(=O)N(CC(=O)NC2CCCC2)C2CCCC2)CC(=O)N=C2C=CC=CN21,CID651134,0.0,0.0,,,,,0.0,,,,,,0.0,,,,0.0
Cc1cc(C)nc(N2CCC(C(=O)NC3CCCc4ccccc43)CC2)n1,CID651132,0.0,0.0,,,,0.0,,0.0,,,0.0,,,,,,0.0
O=C(NCc1ccncc1)C1CCCN(S(=O)(=O)Cc2ccccc2)C1,CID651133,,0.0,,,,,0.0,,,,,0.0,,,,,
COc1cc(C(C)=O)ccc1OCC(=O)c1cc(C)n(C2CC2)c1C,CID2524561,,0.0,0.0,0.0,,0.0,,,,,,,0.0,,0.0,,
COc1ccc(/C=C/C(=O)n2nc(C)cc2C)cc1,CID5341494,,,,,,0.0,,,,,,,,,,,
N#Cc1ccc(-c2ccco2)nc1SCc1ccccc1,CID666027,0.0,0.0,,,,0.0,,,,,,,0.0,,,,
COc1ccc2ccccc2c1C(O)c1nccn1C,CID2904872,,,0.0,,0.0,0.0,,,,0.0,,,,,,0.0,
Cc1nc2ccccn2c1C(=O)NCc1cccnc1,CID651107,,,0.0,0.0,,,,0.0,,,,0.0,,,,,
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1ncn[nH]1,CID4347607,,,,,,,,,,,,,,,0.0,,
Cc1noc(C)c1CSCC(=O)OCC(=O)N1CC(=O)Nc2ccccc21,CID2565132,,,0.0,,,,0.0,,0.0,0.0,,0.0,,,,,0.0
O=C(c1ccco1)N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1,CID659307,,0.0,,0.0,,,,,,0.0,,,0.0,,,,
C=CCC1(CN2CCCCCC2=O)C(=O)NC(=O)NC1=O,CID659302,,0.0,0.0,0.0,,,,,,,,,,,,,
CCOC(=O)C1=C(CSc2nc(C)cc(C)c2C#N)OC(N)=C(C#N)C1c1cccs1,CID658070,,,,0.0,,,,,,,,,,,,,
NS(=O)(=O)c1ccc(-c2ccc(/C=N/C3CCS(=O)(=O)C3)o2)cc1,CID658078,,,,0.0,0.0,,,,,,,,,,,,
CN1C(=O)CC2(CC(=O)N(Cc3ccccc3)C2)C1=O,CID2868934,,0.0,,,,,,0.0,,,,,,,,,
O=S1(=O)N=C(NCc2ccco2)c2ccccc21,CID716651,,,0.0,0.0,0.0,,,,,,,,,,,,
CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1Cl,CID2271432,,,,,,0.0,,,,,,,,,,,
C=CCn1c(SCC(=O)NCc2cccs2)nnc1C1CCCCC1,CID2603049,,0.0,0.0,0.0,0.0,,0.0,,0.0,,0.0,,,0.0,0.0,0.0,
CN1CC(=O)N(CC(=O)NCCc2ccc(F)cc2)c2ccccc2C1=O,CID652685,,,0.0,,,,,,,,,,0.0,,,,
COc1ccccc1NC(=O)N1CCCC1C(=O)NC12CC3CC(CC(C3)C1)C2,CID652686,0.0,,0.0,,,,,,,,,0.0,0.0,,,,
COc1ccc(C)cc1NC(=O)C1CC(=O)N(CCc2ccccc2)C1,CID4883651,,,,,,,,,,,,,,0.0,,,
CC(=O)NCCn1c(SCC(=O)OCc2ccccc2)nc2ccccc2c1=O,CID3238438,,,,,,,0.0,,0.0,,0.0,,,,,,
O=C(O)CC(C(=O)NC1CCCCC1)C1CCCO1,CID4524064,,0.0,,0.0,,,,,,,,,,,,,
CCOC(=O)c1c(C)c(C(=O)NCc2ccco2)c(C)n1Cc1ccccc1,CID3238433,0.0,,,0.0,,0.0,,,0.0,0.0,,,,0.0,,0.0,
Cn1c(=O)cc(OCC(=O)N2CCCc3ccccc32)c2ccccc21,CID3238431,0.0,,,,0.0,,,0.0,,,,,,,,,0.0
O=C(CNC(=O)c1ccccc1)OCc1nnc(-c2ccc(Cl)cc2)o1,CID2478137,,,,,,,,,,,,,,0.0,0.0,,
CCn1c(=O)cc(OCC(=O)N2CCN(C(=O)c3ccco3)CC2)c2ccccc21,CID3238435,,,,,,,0.0,0.0,,,,,0.0,,,,
COC1=C(c2ccccc2)C(=O)c2ccccc2C1=O,CID793869,,,,,,,,,,,,,,0.0,0.0,,
Cc1nc(N)sc1-c1csc(Nc2ccccn2)n1,CID2867228,,0.0,0.0,,0.0,,,,,0.0,,,,0.0,,,
c1ccc(CCc2nc(-c3ccccn3)no2)cc1,CID795427,,,,,,,0.0,,,,,,,,,,
Nc1nncn1C(=O)CCc1ccccc1,CID795426,,0.0,0.0,0.0,,,,,,,,0.0,0.0,,,,
CC12CN3CC(C)(CN(C1)C31CCSCC1)C2=O,CID714398,,,,0.0,,,,,,,,,0.0,,,,
Cn1c(NC(=O)c2cc(-c3ccc4c(c3)OCO4)nc3ccccc23)cc(=O)n(C)c1=O,CID1222713,,,,0.0,,,0.0,,0.0,,0.0,0.0,,,0.0,,
CCc1nnc2sc(-c3ccc(NC(=O)c4ccco4)cc3)nn12,CID653799,,,,,0.0,0.0,,,,,0.0,,,,,0.0,0.0
Cn1c(=O)oc2cc(S(=O)(=O)N3CCC(C(=O)NCc4cccs4)CC3)ccc21,CID5309097,,,,,,,,,,,0.0,,,,0.0,0.0,
Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCCC(C(=O)N2CCN(C(=O)c3ccco3)CC2)C1,CID5309096,0.0,,,,,,,,,,,,,,,,
CN(CC(=O)NCc1cccs1)S(=O)(=O)c1cccc2cccnc12,CID5309091,0.0,,,,,,,,,,,,,,,,
COc1ccc(C2=C(Nc3ccc4oc5ccccc5c4c3)c3ccccc3C2=O)cc1,CID2268521,,,,,,0.0,,,,,,,,,,,
Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC(C(=O)N4CCn5c4nc4ccccc45)C3)ccc21,CID5309092,,,,0.0,,,,0.0,,,,,,,0.0,,
O=C(Nc1cccc2c1CCCC2)C1CCN(c2nnnn2-c2ccccc2)CC1,CID653790,,,,,,,,,,0.0,,,,,,,
Cn1c(SCC(=O)c2ccc3c(c2)OCO3)nnc1-c1ccccn1,CID2218927,,0.0,,,,,0.0,,,,0.0,,0.0,,,0.0,0.0
COCCN(C(=O)CCCC(=O)Nc1ccccn1)C(C(=O)NC1CCCCC1)c1ccc(C)cc1,CID653797,,,,,,0.0,,,,,,,0.0,,,,
O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)NCc1ccccc1,CID1082891,,,,,,,,,,,0.0,0.0,,,,,
COc1ccc(-c2ccc(=O)n(CC(=O)Nc3cccc(O)c3)n2)cc1OC,CID655372,,,,,,,0.0,,,,,,0.0,,,,
COC(=O)c1c(C(=O)OC)c2oc3ccccc3n2c1Cl,CID655373,,,,,,,0.0,,,,,,,,,,0.0
Cc1ccc(S(=O)(=O)CCc2nnc(NC(=O)c3cnccn3)s2)cc1,CID655375,,,,,,,,,,,0.0,,,,,0.0,0.0
CC(C(=O)Nc1ccccc1C(=O)N1CCCC1)n1nnc2ccccc21,CID655376,,,0.0,,,,0.0,,,,,,,,,,
Cn1nc(C(C)(C)C)cc1C(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2,CID654029,,,,,,0.0,,,0.0,,0.0,,,,,,
O=C(O)C1C2C=CC(C2)C1C(=O)NCc1ccccn1,CID654023,,0.0,,,,,,,,0.0,,,,,,,
COc1cc(S(=O)(=O)N2CCN3CCCC3C2)ccc1-n1cnnn1,CID654021,,0.0,0.0,0.0,,,,,,,,,,,,,
N=c1c2c(-c3ccccc3)c(-c3ccccc3)n(Cc3ccccc3)c2ncn1CCO,CID3826961,,,,,,0.0,,,,,,,,,,,
CCN(CC)C(=O)CSc1nc2ccc(NC(=O)CSc3nccn3C)cc2s1,CID654026,,,,,0.0,,,,0.0,,,,,,,,
CN1C(SCC(=O)NCc2ccc3c(c2)OCO3)=NN/C1=C1\C=c2ccccc2=CC1=O,CID5447087,,,0.0,0.0,,,0.0,0.0,0.0,0.0,,,,,,,
CC(C)(C)Nc1nc(NCc2cccnc2)nc(N2CCOCC2)n1,CID822532,,,,,,,,,,,0.0,,,,,,
Cc1ccc(CNCC2CCCO2)o1,CID3152150,,,,,,,,,,0.0,,,,,,,
N#Cc1ccc(OCC(O)CS(=O)(=O)c2ccc(F)cc2)cc1,CID3288972,,,,,,,,,,,,,,0.0,,,
Cc1ccc(-c2cc(C(=O)N3CCN(c4ncccn4)CC3)c3cc(Br)ccc3n2)o1,CID2220688,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1c(C)oc2cc3c(C(=O)OCC)c(C)oc3cc12,CID236769,,,,,,,,,,,,0.0,,,,,
Cc1cc(NC(=O)Nc2ccccc2)n(-c2ccccc2)n1,CID736191,0.0,,,,,,,,,,,,,,,,
COc1ccc(/C(CC2(O)C(=O)Nc3ccccc32)=N\O)cc1,CID2754497,0.0,,0.0,0.0,0.0,,0.0,,0.0,0.0,,,0.0,,0.0,,
COC(=O)c1cc(Br)ccc1-c1ccc(/C=N/n2nnnc2N)o1,CID1321695,0.0,,,,,,0.0,,,,,,,,,,
N#Cc1nc(-c2ccco2)oc1N1CCc2ccccc2C1,CID663507,0.0,,,,,,,,,,,,0.0,0.0,0.0,,
CCCCCCCC[n+]1cccc(C(=O)N2c3c([nH]c(NC(=O)C(C)C)nc3=O)NCC2C)c1,CID3312307,,,,,,,,,,,,,,,0.0,,
Cc1ccc2cccc(SCC(=O)N3CCOCC3)c2n1,CID2265290,,,,0.0,,,,0.0,,,,,,,,,0.0
CC(=O)Nc1sc2c(c1CN1CCN(c3ccc(F)cc3)CC1)CCCC2,CID1033407,,,,,,,,,,,0.0,,,,,,
O=C(Nc1ccccc1C(=O)N1CCCCC1)C1CCCCC1,CID847956,,,,,,,0.0,0.0,0.0,0.0,0.0,,,,,,
CC(C)CC(NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)NCc1cccnc1,CID5307698,,0.0,,,,,,0.0,,,,,,,,,
CCOC(=O)N1CCC(N2C(=O)c3cc(C(=O)NC4CCCCC4)ccc3C2O)CC1,CID5307694,,,,,,0.0,,,,,,,,,,,
COc1ccc2ccccc2c1C1CC(=O)N2CN(C3CCCCC3)CSC2=C1C#N,CID5307697,0.0,,,,,0.0,,,,,,,,,,,
O=C(NC1CCCCC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,CID5307696,0.0,,0.0,,,,,0.0,,,,,,,,,
Cn1c(=O)c2cc(S(=O)(=O)NC(C(=O)NCc3cccnc3)c3ccccc3)ccc2n(C)c1=O,CID5307691,,,0.0,,,,0.0,,,,,,,,,0.0,
Cc1c(C2(O)C(=O)Nc3ccc(F)cc32)c(=O)n(-c2ccccc2)n1C,CID2953523,,,0.0,,,,,0.0,,,,,,,,,
Cc1cc(Cl)c(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1OCC(=O)NC1CCCCC1,CID2953526,,,,,,,,,0.0,,,,,,,,
Cc1ccc(S(=O)(=O)N2CCN(C(=S)NCc3ccc4c(c3)OCO4)CC2)cc1,CID2444347,,,,,,,,,,,,,,,0.0,,
CC(=O)c1ccc(OC(=O)N(c2ccccc2)c2ccccc2)cc1,CID949923,,,,,,,,,0.0,,,,,,0.0,,
COc1ccc(N2C(=O)CC(Sc3nnc(-c4ccccc4)n3-c3ccccc3)C2=O)cc1,CID2891470,,,,,,0.0,,,,,,,,,,,
O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1NCCc1ccccc1,CID2891479,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1oc2ccc(Br)cc2c1CSc1nnc(C)s1,CID2535257,,,,,,,,,0.0,,,,,,,0.0,
N#C/C(C(=O)N1CCOCC1)=C1/SC=C(c2ccccc2)N1c1ccccc1,CID1972861,0.0,,,,,,0.0,,,,,,,,,,
Cn1c2c(c(=O)n(C)c1=O)C(c1ccc(Cl)cc1)C(C#N)=C(N)O2,CID2815156,,,,,,,,,,,,,,,0.0,,
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccsc1,CID878233,,,,,,,,,,,,,,,0.0,,
CCCN(CCC)C(=O)c1c(NC(=O)c2cccs2)sc2c1CCCCC2,CID1350397,,,,,,0.0,,,,,,,,,,,
O=C(NCCC1=CCCCC1)C1CCN(S(=O)(=O)N2CCOCC2)CC1,CID3243796,,0.0,,,,,,,,,,,,0.0,,0.0,0.0
O=C(CC1NC(=O)NC1=O)Nc1cccc2ccccc12,CID2958453,,0.0,,,,,,0.0,,,,,,,,,
Cn1c(SCC(=O)NNC(=O)c2ccc(Cl)cc2)nnc1-c1cccnc1,CID1151713,,,,,,,,,,,,,,0.0,,,
COc1cc2nc(NCC3CCCO3)n3nc(-c4cccnc4)nc3c2cc1OC,CID3241793,,,,0.0,,0.0,,,,0.0,,0.0,,,,,
CCOC(=O)CN1C(=O)SC(CC(=O)Nc2nccs2)C1=O,CID3241790,,,,,0.0,,,,,0.0,,,,,,,0.0
COc1ccc(/C=C/C(=O)OCc2cc(=O)n3c(n2)sc2ccccc23)cc1,CID2362313,,,,,,,,,,,,,,0.0,0.0,,
O=C1C2C3c4ccccc4C(c4ccccc43)C2c2nc3ccccc3n21,CID2876252,,,,,,,,,,,,,,,0.0,,
COC(=O)c1ccc(CSc2nc(N3CCOCC3)c3c(c2C#N)CC(C)(C)OC3)o1,CID658213,,,,0.0,,,,,,0.0,0.0,,,,,,
O=C(NCCCCC(NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O)c1ccc([N+](=O)[O-])cc1,CID4170493,,,,,,,,,,,,0.0,,,,,
Cc1nn2c(-c3ccncc3)nnc2c2ccccc12,CID1266914,,0.0,,0.0,,,,,,,,,,,,,
CC(Nc1cc(C(=O)c2ccccc2)ccc1N)=C1C(=O)CC(C)(C)CC1=O,CID15312078,,,,,,,,,,,,,,0.0,,,
O=C1NCCN1C(=O)c1ccco1,CID1266917,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)cc2)N2C(=O)CCC2=O)cc1,CID1266912,,,,,,,,,,,,,,0.0,,,
COc1cccc(Nc2ncc(C(=O)O)c3ccccc23)c1,CID3245146,,0.0,,,,,,0.0,,,,,,,,,
CCOC(=O)C1CCCN(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)C1,CID3245147,,,0.0,,0.0,,,,,,,,,,0.0,,
O=C(C1CC1)N(CCN(Cc1ccccc1)C(=O)C1CC1)Cc1ccccc1,CID2296237,,,,,,,,,,,,,,0.0,,,
O=C1OCc2ccc(NC(=O)C3CCCCC3)cc21,CID653171,,0.0,,,,,,0.0,0.0,,0.0,0.0,0.0,0.0,0.0,,0.0
Cc1cc(CCN2CCC(=O)NC2=S)ccc1OC(C)C,CID915056,,,,,,,,,,0.0,,0.0,,,,,
O=C(CNC(=O)Cn1ccc2ccccc2c1=O)NCCCN1CCN(c2cccc(Cl)c2)CC1,CID3239310,,,0.0,,,,,,,0.0,,0.0,,,,,
CC(CCc1ccco1)NC(=O)CSc1cc(=O)n(C)c2ccccc12,CID3242445,0.0,,,,,,,,,,0.0,,0.0,,,,
O=C(NCCN1CCc2ccccc2C1)C1CC(=O)N(C2CCCC2)C1,CID3241136,,0.0,,,,0.0,,0.0,,,,,0.0,,,,0.0
Cn1c(=O)c(Nc2ccc(Cl)cc2)c2c3c(cccc31)C(=O)c1ccccc1-2,CID4684835,,,,,,,,,,,,,,0.0,,,
O=C(CCCOc1ccccc1)Nc1ccc(Cl)cn1,CID1582691,,,,,,,,,,,,,,0.0,,,
COc1cccc(/C=c2\s/c(=C(/C#N)C(=O)N3CCOCC3)n(-c3ccccc3)c2=O)c1,CID3935972,,,,,,0.0,,,,,,,,,,,
CSc1ccc(/C=C/C(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1,CID5342392,,,,,,0.0,,,,,,,,,,,
O=C(/C=C/c1ccc(NC(=O)c2cccs2)cc1)c1ccco1,CID5342396,,,,,,0.0,,,,,,,,,,,
c1ccc(CCc2nn3c(Cn4cnc5ccccc54)nnc3s2)cc1,CID2973675,0.0,,0.0,,,,,,,,0.0,0.0,,,,,
O=[N+]([O-])c1ccc(Cl)cc1Sc1nc2ccccc2o1,CID741506,,,,,,,,,,,,,,0.0,0.0,,
Nc1nc(-c2cccs2)c(NC(=O)c2ccccc2)s1,CID645238,,,,,0.0,,0.0,,0.0,0.0,,,0.0,,,,
COc1ccc(-c2cc(C(=O)OCC(=O)N3CCCC3)c3ccccc3n2)cc1,CID2357008,0.0,,,,0.0,,,0.0,0.0,0.0,,,,,,0.0,
O=C(NCc1ccco1)c1cnn2c(C(F)(F)F)cc(-c3cccs3)nc12,CID645236,0.0,,,,0.0,,,,,,,,,,,,0.0
CCN(CC)Cc1cc2ccccc2c2c1COC2,CID645237,,,,,,,,0.0,,,,,,,,,
O=c1oc(/C=C/c2ccco2)nc2sc3c(c12)CCC3,CID5344562,,,,,,0.0,,,,,,,,,,,
O=C1C/C(=C/NCc2ccccc2)C(=O)N1,CID5310689,,0.0,,,,0.0,,,,,,,,,,,
CC1=CCC(Cc2nc3ccccc3o2)C1(C)C,CID2832757,,,,,,,0.0,0.0,0.0,0.0,,,,,,0.0,
COc1ccc(C2Nc3ccccc3C(=O)N2c2ccc(C)cc2)cc1Cn1nnc2ccccc21,CID2888377,,,,,,,,,,,,0.0,,,,,
Cc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CNC(=O)/C=C/c1ccccc1,CID1889301,,,,,,0.0,,,,,,0.0,,,,,
Cc1cccc(-n2c(-c3csc4ccccc34)n[nH]c2=S)c1,CID843908,,,,,,,,,,,,,,0.0,,,
O=C(c1ccco1)N1CCN(C(=O)C2c3ccccc3Oc3ccccc32)CC1,CID2218623,,,,,,,0.0,0.0,0.0,,0.0,,,,,,
O=C(O)C1CCN1C1CCCCC1,CID282399,,,,,,,0.0,,,,,,,,,,
O=c1[nH]c(CSc2nnc(-c3ccco3)n2-c2ccccc2)nc2sc3c(c12)CCC3,CID2529716,,0.0,0.0,0.0,,0.0,,,,0.0,,,,,,0.0,0.0
CC(NC(=O)C1CCN(c2nnc(-n3cccc3)s2)CC1)C12CC3CC(CC(C3)C1)C2,CID3243582,0.0,0.0,,,,,,,,,,,,,,,
CCOC(=O)c1cc(S(=O)(=O)NC2CCN(C(=O)OCC)CC2)cn1C,CID3243586,,,0.0,0.0,,,,,,,,,0.0,,,0.0,
COc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CC(C)(C)CC4=O)cc1,CID1332299,,,,,,,,,,0.0,,,,,,,
O=[N+]([O-])c1ccc(N2CCCCC2)cn1,CID2927961,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccccc1)c1ccccc1OCc1cccc([N+](=O)[O-])c1,CID894792,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C2=NN(C(=O)CCl)C(c3cccs3)C2)o1,CID4961648,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccccc1)N(Cc1ccccc1)Cc1ccccc1,CID791722,,,,,,,,,,,,0.0,,,0.0,,
O=C(Oc1ccc2ccccc2c1)c1ccco1,CID532723,,,,,,,,0.0,0.0,,0.0,,0.0,,,,
O=C(NCCN1Cc2ccccc2C1=O)c1cccs1,CID660502,,,0.0,,0.0,,,,,0.0,,,0.0,,,,0.0
Cc1ccc(C2CC3CN(Cc4cccc(Cl)c4)C(=O)C34CCCN24)o1,CID16190087,,,,,,,,,,,,,,,0.0,,
COc1cccc(CN2CCN(C(=O)COc3ccc4ccccc4c3)CC2)c1,CID660500,0.0,,,,,,,,0.0,,,0.0,,,0.0,,
CCOc1cc(NC(=S)NCCCN2CCOCC2)c(OCC)cc1NC(=O)c1cccs1,CID3170816,,,,,,,,,,,,,,0.0,,,
C/C(=N\OC(=O)c1ccccc1)c1c(C)nc2cc(C)ccn12,CID1477719,,,,,,,,,,,,,,0.0,,,
O=S(=O)(NCc1ccc2c(c1)OCO2)c1cccc2cccnc12,CID2056026,0.0,,0.0,,,,0.0,,0.0,,0.0,,,,,0.0,
COc1ccc(OC)c(C(=O)c2ccc(C(=O)N3CCCCC3)cc2)c1,CID1069750,0.0,,,,,0.0,0.0,,0.0,,,,,,0.0,,
O=C1CCn2cnc3cccc4ccc1c2c43,CID677487,,0.0,,,,,0.0,,,,,0.0,,,,,
CC1(C)CC(CC(=O)Nc2ccccn2)C(=O)O1,CID2938756,,,,,,,,,,0.0,,,0.0,0.0,,,
O=C(NCc1ccc2c(c1)OCO2)c1cc2c(s1)CS(=O)(=O)C2,CID3236656,,,,0.0,0.0,,,,,0.0,,,,,,,
CCN1CCCC1CN/C(O)=C1/C(=O)NC2=C(CCCC2)C1=O,CID5783707,,,0.0,0.0,,,,0.0,0.0,,,,0.0,,,,
COc1ccc(CC(=O)Nc2ccc(-c3csc(C)n3)cc2)cc1,CID852153,,,,,,,,,,,,0.0,,,,,
O=S(=O)(c1ccccc1)c1nc(-c2ccco2)oc1NCCCN1CCOCC1,CID2219666,,,0.0,,0.0,,,,,,,,,,,,0.0
CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccsc1)n2Cc1ccccc1,CID4878325,,,,,,,,,,,0.0,,,,,,
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)C1CC=CCC1C(=O)O,CID3244251,0.0,0.0,,0.0,,0.0,,,,0.0,0.0,,,,,0.0,0.0
O=C(NCC1CCCO1)c1onc(CSc2cccc3ccccc23)c1C(=O)O,CID11958588,,,,,,0.0,,,,,,,,,,,
CCOC(=O)C1C(=O)NC(N2CCOCC2)=NC1C(C)C,CID666599,,0.0,,,,,,,,,,,0.0,,,,
Cc1cc(Nc2ccccc2N2CCOCC2)n2ncnc2n1,CID666593,,0.0,0.0,0.0,,,,,,,,,0.0,,0.0,,0.0
Cc1ccc(OCCn2c(=O)cnc3ccccc32)cc1,CID2102980,0.0,,0.0,,0.0,,,,0.0,0.0,,,0.0,,,,
Cc1nc2oc3c(NCc4ccccc4)ncnc3c2c2c1COC(C)(C)C2,CID667244,,0.0,,0.0,,,,,,,,,0.0,0.0,,,
COCCCn1c(C2CCCCC2)nc2oc3cc(OC)ccc3c(=O)c2c1=O,CID667247,,,0.0,,,,0.0,,,,,,,,,,
O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N/N=C/C=C/c1ccccc1[N+](=O)[O-],CID12004651,,,,,,,,,,,,,,,0.0,,
O=C(N/N=C/c1ccncc1)c1cc2c(ccc3ccccc32)o1,CID958719,,,,,,0.0,,,,,,,,,,,
Cc1ncsc1CCOC(=O)c1ccc(Cl)cc1,CID2315948,,,,,,,,,,,,,,0.0,,,
Cc1sc2nc(COC(=O)c3cccc(S(=O)(=O)N(C)c4ccccc4)c3)[nH]c(=O)c2c1C,CID2090656,,,,,,,,,,,,,,0.0,,,
C=CCN1C(=O)C(CC(=O)O)S/C1=N\c1c(C)n(C)n(-c2ccccc2)c1=O,CID2938255,,,0.0,0.0,,,,0.0,,,0.0,,,,,0.0,0.0
Cc1cc2nc(-c3ccc(SCC(=O)Nc4ccc5c(c4)OCCO5)nc3)[nH]c2cc1C,CID1432746,,,,,,0.0,,,,,,,,,,,
O=C(c1ccccc1)c1ccc(OC(=O)N2CCOCC2)cc1,CID807071,,0.0,0.0,,,,,,,,,,0.0,,,0.0,
O=C(CSc1ccc2c(c1)OCCO2)Nc1ccc(Cl)cn1,CID2080434,,,,0.0,0.0,0.0,,,,0.0,0.0,,,0.0,,,
OCCC1CN(Cc2cccc3c2OCO3)CCN1C1CCCC1,CID16192268,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(Br)cc1,CID1039688,,,,,,,,,,,,0.0,,,0.0,,
CC(C)(C)c1ccc(OCC(=O)Nc2ccc(-c3nc4cccnc4o3)cc2)cc1,CID1369799,,,,,,,,,0.0,,,,,,,,
Cc1ccc(-c2c(C#N)c(N)nc3c2CCCCCC3)o1,CID873023,,,,,,0.0,0.0,0.0,,,,,,,,0.0,
O=C(CCN1C(=O)c2ccccc2C1=O)NCCN1CCOCC1,CID757225,,0.0,,0.0,,,,0.0,,,,,,,,,
O=c1nc2n(c3ccc(Br)cc13)CCS2,CID850178,,,,,,,,,0.0,,,,,,,,
Cn1c(COc2ccccc2)nnc1SCCN1CCOCC1,CID649947,0.0,0.0,0.0,0.0,0.0,,,0.0,,,,,,,,0.0,
COc1ccc(CCNC(=O)CSc2nnc(CNc3ccc(Cl)cc3)o2)cc1OC,CID649940,0.0,,0.0,0.0,0.0,,0.0,,0.0,,,0.0,0.0,,,,0.0
O=C(CSc1nc2ccccc2o1)Nc1ccccc1N1CCCCCC1,CID649949,0.0,,,,0.0,0.0,0.0,,,,,0.0,,,,0.0,0.0
CC1CCN(S(=O)(=O)c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)CC1,CID2138985,,,,,,,,,,0.0,0.0,,,,,,
CC(C)CC(=O)Nc1ccccc1-c1nnn(CC(=O)N2CCc3ccccc3C2)n1,CID1440203,,,,,,,,,,0.0,,0.0,,,,,
CCn1c(SCC(=O)NCc2ccc(F)cc2)nc2c(c1=O)SC(C)C2,CID4061072,0.0,0.0,0.0,,0.0,,,,,,,,,,,,
O=C(CN1CCCC1)N1c2ccccc2Sc2ccccc21,CID114337,,,,0.0,0.0,,0.0,,,,,0.0,0.0,,,,
CCC(C)(C)NC(=O)C(c1ccccn1)N(C(=O)c1csnn1)c1ccc(C)cc1,CID3221835,,,,,,,,,,,,,,0.0,,,
O=c1oc2ccccc2c2nccnc12,CID691239,,0.0,0.0,,,,,,,0.0,,,,,,0.0,
N#Cc1cnn2c1nc(N1CCCCC1)c1ccccc12,CID1474967,,,,,,,,,,,,1.0,,,,,
Nc1cc(N)nc(SCC(=O)Nc2ccc3c(c2)OCCCO3)n1,CID2544913,,,,,,,,,,,0.0,,,,,,
CCOC(=O)C1=C(CC)Nc2ccccc2N=C1NC(=O)Nc1ccccc1OC,CID2117682,0.0,,,0.0,,,,,,,,,,,,0.0,
CC(NC(=O)C(=O)NN=C1CCCCCCCCCCC1)c1ccccc1,CID5150993,,,,,,,,,,,,0.0,,,,,
COC1=CC([N+](=O)[O-])=C/C(=C\NNC(=O)c2ccc(C)nc2)C1=O,CID5905321,,,,,,,,,,,,,,0.0,,,
Cc1cccn2c(=O)c3cc(C(=O)NC4CCS(=O)(=O)C4)sc3nc12,CID4433439,,,,,0.0,,,,,,,,,0.0,,,
Cc1cc(C(=O)c2cccs2)c(N)s1,CID644818,,,,,,,,,,,,,0.0,,,,
O=C(c1ccc(F)cc1)N1C2CCC1CC(O)(c1ccccc1F)C2,CID644810,,,,,,,0.0,,,,,,,,,,0.0
O=C1SC(SCc2ccccc2)=N/C1=C\c1ccco1,CID2191720,,,,,0.0,,0.0,,,0.0,,,,0.0,,,
CC(NC(=O)CSc1n[nH]c(=O)n1C1CC1)C12CC3CC(CC(C3)C1)C2,CID3000084,0.0,,,0.0,,,0.0,,,,0.0,,,,,,
N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)NCCc1c[nH]c2ccccc12,CID1908177,,,,,,,,,,,,0.0,,,,,
Cc1n[nH]c(=O)nc1N1CCc2ccccc2C1,CID2792659,,,0.0,0.0,,,,0.0,,,,0.0,,,,,
O=C(NCc1ccco1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1,CID652184,0.0,,0.0,,0.0,,,,,,,,0.0,,,,0.0
Cc1cc(C(=S)N2CCOCC2)c(C)n1C1CCCC1,CID652181,,0.0,,,,,,,,,,,,,,0.0,
CCN(CC)S(=O)(=O)c1ccc2nc(CSc3nnnn3-c3ccc(O)cc3)[nH]c2c1,CID2100159,,,0.0,0.0,,,,,,,0.0,,,0.0,,,0.0
Cc1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)o1,CID2327290,,,,,,,,,,,,,,0.0,,,
Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC(C(=O)N4CCc5ccccc5C4)C3)ccc21,CID5307920,,,,,,0.0,,,,,0.0,,,,,,
O=C(OCCNc1ncc(C(F)(F)F)cc1Cl)c1ccc(S(=O)(=O)N2CCOCC2)cc1,CID2335638,,,,,0.0,,,,,,,,,,,,
Nc1ccc(-c2nc3ccc(-c4nc5ccccc5o4)cc3[nH]2)cc1,CID687466,,,,,,0.0,,,,,,0.0,,,,,
CCOC(=O)C1CCN(Cc2cn[nH]c2-c2ccc(C)cc2)CC1,CID645562,0.0,0.0,,,,,,,,,0.0,0.0,,,,,
COc1ccc(C)cc1-n1nnnc1SCC1CCCO1,CID4883751,,,,,,,,,,0.0,,,,,0.0,,
CNC(=O)CSc1nnc(CCc2ccccc2)n1-c1ccccc1,CID1313542,0.0,0.0,,,0.0,,0.0,0.0,,,,,0.0,,,0.0,0.0
COc1cccc(C(C(=O)NC2CCCC2)N(Cc2ccccc2OC)C(=O)c2ccco2)c1,CID3196702,,,,,,,,,,,0.0,,,,,,
O=c1c2c3nc4ccccc4nc3n(/N=C/c3cccs3)c2ncn1-c1ccccc1,CID663424,0.0,,,,0.0,,,,,,0.0,,,,,,
O=C(Cn1cnc2ccccc2c1=O)OCCCCN1C(=O)c2ccccc2C1=O,CID2539710,,,,,,0.0,,,,,,,0.0,0.0,,,
COc1ccc(OCC(=O)N/N=C2\CCCCc3ccccc32)cc1,CID5071363,,,,,,,,,,,,,,0.0,,,
Cc1noc(C)c1S(=O)(=O)NC1CCN(Cc2ccccc2)CC1,CID5308247,0.0,,,,,,,,,,,,,,,0.0,
Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC(C(=O)Nc4ccc5c(c4)OCCO5)C3)ccc21,CID5308245,,,,,,0.0,,,,,,,,,,0.0,
O=C(NCCCN1CCc2ccccc2C1)C1CCN(c2nnc(-n3cccc3)s2)CC1,CID5308248,,,0.0,,,,0.0,,,,,,,,,,
O=S(=O)(c1ccc(S(=O)(=O)N2CCN3CCCC3C2)cc1)N1CCCC1,CID648489,,,,,0.0,,,,,,,,0.0,0.0,,0.0,
CSc1nc2nc3c(c(=O)n2[nH]1)CN(Cc1ccccc1)CC3,CID648481,,0.0,,0.0,,0.0,,,,0.0,,,,,,,
O=C(Cn1nc(Cl)nc1Cl)N1CCOCC1,CID648485,,,,,,,0.0,,,,,,,,,,
O=C(NCc1ccncc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1,CID4290902,,,,,,,,,,,,,,,0.0,,
O=C(COC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12)NCC1CCCO1,CID3538824,,,,,,,,,,,,,,,0.0,,
Cc1ccc2c(c1)cc(CN(Cc1ccco1)C(=O)COc1ccccc1)c1nnnn12,CID654721,0.0,,0.0,,,0.0,,,,,,0.0,0.0,,0.0,,
O=C(COC(=O)c1ccc(N2CCCC2=O)cc1)NCc1ccco1,CID2128445,,,,,,,,0.0,,,,,0.0,,0.0,,
CCCCCCN1C=C/C(=C\C=C(C#N)C#N)c2ccccc21,CID1899958,,,,,,,,,,,,,,,0.0,,
O=c1cc(Nc2ccc3c(c2)OCCO3)[nH]c(=O)n1Cc1ccc(F)cc1,CID3239458,,,0.0,,,,,,,,,,,,,,0.0
CC1CC(C)CN(C(=O)c2cc3c(s2)CCC3)C1,CID4963136,,,,,,0.0,,,,,,,,,,,
O=C(/C=C/c1ccc(Cl)cc1)NC1=CC(=O)/C(=C2\Nc3ccccc3S2)C=C1,CID5345983,,,,,,0.0,,,,,,,,,,,
Cc1oc(-c2ccccc2F)nc1CS(=O)(=O)CC(=O)NCCN(C)C1CCCCC1,CID5308868,,,,,,0.0,,,,,,,,,,,
O=C(c1ccc(Br)o1)N1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1,CID5308864,0.0,,,,,,,,,,,,,,,,1.0
C/C(=N\S(=O)(=O)c1ccc(C)cc1)N1CCCCC1,CID749437,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)nc(-n2nc(C)cc2NC(=O)c2ccc(Br)o2)n1,CID2395432,,,,,,,0.0,,0.0,,,,,,,,0.0
COc1cc(/C=N/NC(=O)C(=O)NCC2CCCO2)ccc1OCC(=O)N1CCOCC1,CID16188149,,,,,,,,,,,,,,0.0,,,
c1ccc2c(COn3nnc4ccccc43)cccc2c1,CID973927,,,,,,,,,,,,,,,0.0,,
Cc1ccc2nc(NC(=O)c3cccc(-c4cc5ccccc5oc4=O)c3)sc2c1,CID2238995,,,,,,0.0,,,,,,,,,,,
O=C(NC(=S)NCCC1=CCCCC1)c1cncc(Br)c1,CID1227150,,,,,,,,,,,,,,0.0,,,
CC1=CC(C)(C)Nc2ccc(OS(=O)(=O)c3ccc(C)cc3)cc21,CID2848586,,,,,,0.0,,,,,,,,,,,
CCCc1nn2c(O)c(C(c3ccc(C)cc3)c3c(O)n4nc(CCC)sc4nc3=O)c(=O)nc2s1,CID4309010,,,,,,0.0,,,,,,,,,,,
Cn1c(=O)c2nc(NCc3ccccc3)cnc2n(C)c1=O,CID2312372,,0.0,,0.0,,,0.0,,,,,0.0,0.0,,,,
O=C(NCc1ccco1)c1cccc2ccccc12,CID651840,,,0.0,,,,0.0,0.0,0.0,,0.0,,,,,,
CCOc1ccc(C(=O)NC2CCN(C(=O)NCc3ccccc3)CC2)cc1,CID651841,0.0,0.0,0.0,,,,,,0.0,0.0,,0.0,,,,,0.0
CCC(c1nnc(SCC(=O)Nc2nnc(-c3ccccc3)o2)n1Cc1ccccc1)N(C)C,CID2998254,0.0,,,,,,0.0,,,,0.0,,,,,0.0,
O=C1CSC(c2nn(-c3ccccc3)cc2-c2cc3ccccc3oc2=O)N1Cc1ccco1,CID2998250,,,,,,,,,,0.0,,,,,,,
Fc1cccc2sc(Nc3nnc(-c4ccco4)o3)nc12,CID3245517,0.0,,0.0,,0.0,,,,,0.0,,,,,,,
CC1CC(C)(C)CC2(C1)NC(=O)N(CC(=O)NCC(c1ccco1)N1CCCCC1)C2=O,CID2998259,,,,,,,,,,,0.0,,0.0,,,,0.0
O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc2c(c1)OCO2,CID1341916,,,,,,0.0,,,,,,,,,,,
Cc1cc(NC(=O)CSC2=Nc3ccccc3C3=NC(Cc4ccccc4)C(=O)N23)n[nH]1,CID3243616,,,0.0,,0.0,,0.0,,,,,,,,,,
CC1=C(C(=O)N2CCc3ccccc32)C2(CCC(C)CC2)OC1=O,CID3243617,0.0,,,,,0.0,,,,,,,,,,,
CCOC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CCC2)CC1,CID3243610,,,,,,,,,,0.0,0.0,,0.0,,,,0.0
CCCCn1c(N)c(N(CCC(C)C)C(=O)CSc2nnc3ccccn23)c(=O)[nH]c1=O,CID2104133,,,,,,,0.0,,0.0,0.0,,,,,,0.0,
Fc1ccc(NCc2nnc(SCc3nnc(-c4ccccc4)o3)n2Cc2ccccc2)cc1,CID654692,0.0,,,,,,,,,,,,,,,,
O=C(N/N=C1\CCSC1)c1cc(Br)ccc1O,CID1229737,,,,,,,,,,,,,,0.0,,,
C=CCn1c(SCC(=O)NCCC2=CCCCC2)nc2ccc(Cl)cc2c1=O,CID2487668,,,,,,,,,,,,0.0,,,,,
CCc1ccc(C(=O)NC(C(=O)NCC2CCCO2)C(C)C)cc1,CID2975014,,,,,,,,,,,,,,,0.0,,
NC(=O)C1CCN(C(=O)COc2cccc3ccccc23)CC1,CID773946,,,,,,,,,,,,0.0,,,,,
Cc1ccc(C(=O)COC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-],CID2920316,,,,,,0.0,,,,,,,,,,,
CCOC(=O)C(NCc1ccccn1)(NC(=O)c1cccnc1)C(F)(F)F,CID657879,,,,,,,0.0,,,,,,,,,,0.0
COc1cc(C(=O)OC(C)C(=O)NCC2CCCCC2)cc(NC(=O)c2ccco2)c1OC,CID3331437,,,,,,0.0,,,,,,0.0,,,,,
COC(=O)c1cc2ccsc2n1CC(=O)NCC1CCCO1,CID3241457,,,,0.0,,,,,,0.0,,,,,,,0.0
Cn1nc([N+](=O)[O-])c2c(-c3nc4ccccc4s3)c(N)n(C3CCCCC3)c2c1=O,CID5126017,,,,,,,,,,,0.0,,,,0.0,,
O=C1CC(O)(C(F)F)Oc2ccc3ccccc3c21,CID657873,,,,0.0,,,,,,,,,,,,,
Cc1nnc(SC(=O)N2c3ccccc3Sc3ccccc32)s1,CID1160939,,,,,0.0,,,,,,,,,0.0,0.0,,
CC(C)CCn1c(=O)c2ccccc2n2c(CN3C(=O)NC4(CCC(C)CC4)C3=O)nnc12,CID2119825,,,,,,,,,,,,0.0,,,,,
Cc1ccc(S(=O)(=O)C2(C(=O)NC3CCCC3)CC2)cc1,CID3241615,,,,,0.0,,,0.0,,0.0,,,0.0,,,,
Cc1nn(C(=O)c2cccs2)c(C)c1CN1C(=O)c2ccccc2C1=O,CID1302067,,0.0,,,,,,0.0,,,,,,,,0.0,
COc1ccc(Nc2nc3[nH]c(O)cc(=O)c3s2)cc1,CID1505314,,,,,,,,,,,,,,0.0,,,
CSc1nnc(-c2cccn(Cc3ccccc3)c2=O)o1,CID1473297,,,,,,,,,,,,,,0.0,0.0,,
C=CCN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccco2)c2ccccc21,CID5919853,,,,,,,,,,,,,,0.0,,,
CCOC(=O)N1CCN(c2nc(=S)n(-c3ccccc3)c(C)c2C(C)=O)CC1,CID1019679,,,,,,,,,,,,,,,,0.0,0.0
O=c1c2ccccc2nc(SCc2nc3ccccc3s2)n1Cc1ccco1,CID2489851,0.0,,,0.0,0.0,,0.0,,,,0.0,,0.0,,0.0,,
O=C(Cn1c(-c2ccccc2)noc1=O)N1CCC(Cc2ccccc2)CC1,CID1435024,,,,,,,,,,,,,,,0.0,,
S=c1[nH]ncn1-c1ccccn1,CID740558,,,,0.0,,,,,,0.0,,,,,,,
Cn1c(=O)oc2cc(S(=O)(=O)NC3CCN(Cc4ccccc4)CC3)ccc21,CID2036437,,,,,0.0,,,0.0,,,0.0,,0.0,,,,0.0
Cc1cc2cc3c(N)[nH]nc3nc2cc1C,CID1133285,,,,,,0.0,,,,,,,,,,,
O=C(COc1cccc2ccccc12)NCC1CCCO1,CID2870700,,,,,,0.0,,,,,,,,,,,
O=C1C=C(c2cccs2)CC(c2cccs2)C1n1cnc([N+](=O)[O-])c1,CID2883512,,,,,,,,,0.0,,,,,,,,
CN1/C(=C\C(=O)c2cccnc2)Sc2ccccc21,CID1581015,,,,,,,,,,,,,,,0.0,,
O=C(Cn1ccc2ccccc2c1=O)NCCC(=O)N1CCN(C2CCCCC2)CC1,CID3240125,,0.0,,,,,0.0,,,,,,,0.0,,,0.0
CC(=O)N1CN(C2CCS(=O)(=O)C2)Cc2c1sc1c2CCCC1,CID3240129,,,0.0,,0.0,,0.0,,,,,,0.0,,,,
C/C(=N\NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccco2)cc1,CID2837999,,,,,,,,,,,,,,,0.0,,
O=c1c2c3c(sc2ncn1/N=C/c1ccccc1)CCCC3,CID812456,,,,,,,,,,,,,,,0.0,,
Cc1cccc(C)c1OCCNC(=O)C(=O)NCc1ccco1,CID3148856,,,,,,,,,,,,,,,0.0,,
Cc1ccc(NC(=O)c2cc3c(=O)oc4ccccc4c3s2)nc1,CID4183423,,,,,,,,,,,,,,0.0,,,
c1ccc(Nc2ccc3c4c(cccc24)CC3)cc1,CID1236299,,,,,,,,,,0.0,0.0,,,,,,
CC1NC2(C(=O)N(Cc3ccccc3)c3ccccc32)C2C(=O)N(c3ccccc3)C(=O)C12,CID3875356,,,,,,,,,,,,,0.0,,,,
O=C(NCc1ccc2c(c1)OCO2)Oc1ccccc1,CID888278,,0.0,,,,0.0,0.0,0.0,0.0,,,,0.0,,,0.0,
OCCC1CN(Cc2cnc(N3CCCC3)s2)CCN1Cc1ccccc1,CID16191085,,,,,,,,,,,,,,0.0,,,
O=C(NC1C2CC3CC(C2)CC1C3)C1CC1,CID883585,,,,,,,0.0,0.0,0.0,,0.0,,,0.0,,0.0,
Cc1ccc(OCC(=O)Nc2c[nH]c(=O)[nH]c2=O)cc1C,CID883581,,,,,,,,,,,,,,0.0,,,
c1ccc2nc3c(cc2c1)CCCCCC3,CID3851498,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C(=O)/C=C/c2c[nH]c3ccccc23)cc1,CID5348683,,,,,,0.0,,,,,,,,,,,
Cc1cc(F)c(F)c(C(=O)NC2CC2)c1Cl,CID2217903,,,,,,,,,,,,,,,,0.0,
Cc1noc(C)c1COC(=O)c1cc(=O)[nH]c2ccccc12,CID2377913,,0.0,,,,0.0,0.0,,,0.0,,,0.0,,,0.0,
Cc1nc(SCN2C(=O)c3ccccc3C2=O)n[nH]1,CID1397542,,,,,,0.0,,0.0,0.0,,,,0.0,,,0.0,
CC(C)CCOc1ccc(C2(C)NC(=O)N(CN3CCOCC3)C2=O)cc1,CID57381,,,0.0,,,,,,0.0,,,,,,,,0.0
c1ccc(CN2CCN(c3ncnc4nc[nH]c34)CC2)cc1,CID756711,,0.0,,,,,,0.0,,,,,,,,,
COc1nc(C#N)c(N2CCOCC2)o1,CID786395,,0.0,0.0,0.0,,,0.0,0.0,0.0,,,,0.0,,,,
Cc1cc(Oc2ccc(Cl)cc2)nc(SCC(=O)c2ccccc2)n1,CID995838,,,,,,,,,,,,,,,0.0,,
Cc1occc1C(=O)N1CCc2ccccc21,CID705594,,,,,,,,,,,,,0.0,,,,
c1ccc(-c2cc3c(NCC4COc5ccccc5O4)ncnc3s2)cc1,CID3336226,,,,,,,,,,,,,,0.0,,,
CC(C)C1=C2CCCCC2NC(=O)N1,CID2866904,,0.0,,,,,0.0,,,,,,,,,,
O=[N+]([O-])c1ccc(N2CCCC2)cc1NCc1ccccc1,CID2866900,,,,,,0.0,,,,,,0.0,,,,,
O=C(COc1ccccc1)n1nc(-c2ccc(Cl)cc2)nc1NCc1ccco1,CID2210473,0.0,,0.0,,0.0,,,,,,,,0.0,,0.0,,0.0
Cc1nnc(NC(=O)C2CCN(c3nnnn3-c3ccccc3)CC2)s1,CID648930,,,,,0.0,,0.0,,,,0.0,,,,0.0,,
CC(C)C(c1nnnn1C(C)(C)C)N(Cc1ccccc1)Cc1cccs1,CID648935,0.0,,,,,,0.0,,,,0.0,,,,,0.0,
O=C(CN1CCN(c2ccccc2)CC1)N1CCN(c2ccccc2)CC1,CID660382,0.0,,0.0,,,0.0,,,,,,,0.0,,,,0.0
O=C(CN1CCN(S(=O)(=O)c2ccccc2F)CC1)NC1CCCC1,CID1450138,,,,,,,,,,,,,,0.0,,,
COc1cc(NC(=O)Cn2c(=O)n(-c3cccc(C)c3)c(=O)c3c(C)c(C)sc32)cc(OC)c1,CID12004750,,,,,,,,,,,,,,0.0,,,
N#CC(C(=O)COC(=O)c1ccc2c(c1)OCCO2)=C1Nc2ccccc2N1,CID5635472,,,,,,,0.0,0.0,,,0.0,,,,,,
C=CCSC1=N/C(=C\c2cccnc2)C(=O)N1c1ccc(OC)cc1,CID12004752,,,,,,,,,,,,,,0.0,,,
Cn1nnc2c(NCc3ccco3)nccc21,CID654251,,0.0,0.0,,,,,,,,0.0,,0.0,,,,
O=C(O)CCN1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S,CID1201253,,,,,,0.0,,,,,,,,,,,
O=C(NCc1cccs1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1,CID654254,,,0.0,,0.0,,,,,,0.0,,,,,,
Cc1ccc(-n2cc(C(=O)c3ccc(F)cc3)nn2)cc1Cl,CID1480015,,,,,,0.0,,,,,,0.0,,,,,
O=C(c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1)N1CCN(c2ccccc2)CC1,CID984602,0.0,,0.0,,,,,,,,,,0.0,,,,
COc1cc(CC(=O)N(c2ccccc2)c2nc(C)cs2)cc(OC)c1OC,CID2671893,,,,,,,,,,,,,,0.0,,,
O=C(NCCc1ccccn1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1,CID2537363,0.0,,0.0,,0.0,,0.0,,,,,,0.0,,,0.0,0.0
N#C/C(=C\c1cccs1)Sc1nc2ccccc2s1,CID2302095,,,,,0.0,,,,0.0,,,,,0.0,0.0,,
COC(=O)C(NC(=O)N(C1CCCCC1)C1CCCCC1)C(C)C,CID663938,,,,,,,,,,,,,,,,,0.0
CC1=CC2=C(NNC(=O)c3cccc(F)c3)CCCC2=CC1=O,CID5494749,,,,,,0.0,,,,,,,,,,,
N#Cc1cc2c(nc1SCC(=O)NCc1ccc3c(c1)OCO3)CCCCC2,CID664621,,,0.0,,0.0,,,,,,,,,,,,0.0
COCCN(CCOC)c1ncc(Cl)c(C(=O)c2c(C)cc3ccccn23)n1,CID2330417,,,0.0,,,,,,,,,,,,,,0.0
COC(=O)c1[nH]cnc1C(=O)c1ccccc1,CID555682,,,0.0,,,0.0,,0.0,,,,,,,,0.0,
c1ccc(-c2nnc(-c3ccccn3)nc2NC2CCCCC2)cc1,CID6404647,,,,,,,,,,,0.0,,,,,,
Nc1n[nH]c2c1C1(CCCC1)Cc1ccccc1-2,CID3152505,,,,,,0.0,,,,,0.0,0.0,,,,,
COCCn1c(=O)[nH]c2cc(C(=O)NCC3CCCO3)ccc2c1=O,CID3245329,,0.0,0.0,,,,,,,,,,,,,,
O=C(OC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1,CID3761034,,,,,,0.0,,,,,,,,,,,
CC1(C)CC2CC(C)(CN2S(=O)(=O)c2ccc(N)cc2)C1,CID3150902,,0.0,,,,,,,,,0.0,,0.0,,,,
Cn1c(=O)n(C)c2cc(/C=N/NC(=O)c3ccncc3)ccc21,CID708566,,,,,,,,,,,,,,,0.0,,
CON=C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1,CID1477083,,,,,,,,,,,,0.0,,,,,
CC(=O)N1CN(CCCn2ccnc2)Cc2c1sc1c2CCCC1,CID957541,0.0,0.0,,0.0,,0.0,,0.0,,,,,,,,,0.0
O=C(O)C=C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1,CID1477081,,,,,,,,,,,,0.0,,,,,
c1coc(CNc2nc3ccccc3n2CCN2CCOCC2)c1,CID828732,,0.0,,,,,,,,,,0.0,,,0.0,,
O=C(NC1CCCCC1)N1CCN(C(=O)c2ccco2)CC1,CID1258762,,,,,,,,,,,,0.0,,0.0,0.0,,
Nc1nc(NCc2c(F)cccc2Cl)nn1-c1ccccc1,CID828739,,,,,,,,,,,,,,,,0.0,
O=C(CSCc1ccco1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1,CID2336889,,,,,0.0,,,,,,,,,,,,
COc1ccccc1COCC(O)CN(Cc1ccco1)Cc1ccccc1O,CID4830955,,,,,,,,,,,,,,,0.0,,
O=C(c1cccnc1)N1CCC(c2nc3ccccc3[nH]2)CC1,CID653174,,,,,,,,,,,0.0,,0.0,,,,0.0
CCCNC(=O)Cn1cnc2sc(C(=O)N3CCN(CCC)CC3)c(C)c2c1=O,CID3237203,,0.0,,0.0,,,,0.0,,,,,,,,,
CC1(O)N(Cc2ccccc2)C(=O)OC12CCCCC2,CID3872332,,,,,,,,,,,,,,,0.0,0.0,
O=C(OCCN1CCCC1=O)c1cncc(Br)c1,CID2402532,,,,,,,,,0.0,,,0.0,,,,,
Cc1ccc(NC(=O)N(Cc2ccc3c(c2)OCO3)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1,CID648114,,,0.0,,,,,0.0,,,,,,,,,
COc1ccc(-c2cn3c4c(sc3n2)CCCC4)cc1,CID848469,,,0.0,,0.0,0.0,,,,,,,,,,,
O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1cccnc1,CID936859,,0.0,,0.0,,,,,0.0,,,,,,,,0.0
CC1(C)CC2CC(C)(CN2C(=O)COC(=O)c2ccc(Cl)cc2N)C1,CID2999454,0.0,,,0.0,,,,,,,,,0.0,,,0.0,
O=C(NCC1CCCO1)c1cccc(-n2cnnn2)c1,CID2999451,,0.0,0.0,0.0,,,,0.0,,,,,,,0.0,,
Cc1c(C(=O)OCC(=O)N2CC(C)OC(C)C2)oc2ccc(Br)cc12,CID2999450,0.0,,,,,,,,0.0,,0.0,0.0,,,,,0.0
CC(=O)c1sc(-c2c(C)nc3sccn23)nc1C1CCCC1,CID2999453,0.0,,,,0.0,,0.0,,,,,,,,,,
O=C(c1ccccc1)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1,CID2999452,0.0,,,,,,,0.0,0.0,,,,,,,,
O=C(CCN1C(=O)c2ccncc2C1=O)NCc1ccc(Cl)cc1,CID3238839,0.0,0.0,,,,,,,,0.0,,,,0.0,,0.0,0.0
O=C(CCn1c(=O)sc2ccccc21)NCc1ccc2c(c1)OCO2,CID3238836,,,,,0.0,,,,,,,0.0,,,,,
CC1CCCCC1NC(=O)Cn1nc(-c2ccccc2)ccc1=O,CID3238833,,0.0,0.0,,0.0,,,0.0,,,0.0,,0.0,,,,
O=C(c1ccc(NS(=O)(=O)c2cccs2)cc1)N1CCCCC1,CID3239747,,0.0,0.0,,0.0,,,,0.0,0.0,0.0,,,,,,
Cn1c(C2CCCN2C(=O)OC(C)(C)C)n[nH]c1=S,CID3231413,,0.0,,0.0,,,0.0,,,,,0.0,,,,0.0,
O=C(CN1CCOc2ccccc21)NCc1cccs1,CID3239742,,,,,0.0,,0.0,,,,,0.0,,,,,
CC1CCC(N2CCN(c3ncccn3)CC2)C1,CID2845194,,,,,,,,,,,0.0,,,,,,
CCOC(=O)c1ccc(CNC(=O)C2CCCCC2C(=O)OCC(F)(F)F)o1,CID3241365,,,,,,,0.0,,,,,,,,,,0.0
O=C(C1CCCCC1)N(CCN1CCCC1)c1nc2ccccc2s1,CID649647,0.0,,,,0.0,,0.0,0.0,,,,,,,,0.0,
Cc1cc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)n2ncnc2n1,CID649648,,,0.0,0.0,,,,0.0,,,,,0.0,,,,
O=C(c1cc(=O)c2ccccc2o1)N1CCCc2ccccc21,CID746096,,,,,,,,0.0,,,,,,,,,
CCOC(=O)c1ccc(N2C(=O)C(CC(N)=O)N(CCc3ccc(OC)c(OC)c3)C2=S)cc1,CID2936792,,,,,,,,,,,,,,,0.0,,
OCCN(Cc1ccccc1)CC1CC=CCC1,CID2846085,,,,,,,,,,0.0,,,,,,,
Nc1nc(-c2ccco2)cs1,CID727834,,,,,0.0,0.0,,0.0,,,0.0,,,,0.0,,
CCOCCCNC(=O)C(c1ccc(Cl)cc1)N1CCC2(CC1)OCCO2,CID3240877,,,,,,,,,,,0.0,,,,,0.0,
O=C(NC(=S)NCc1cccnc1)c1cc2ccccc2o1,CID741776,,,,,,,,,,,,,,0.0,,,
O=C(NC(=S)Nc1cccnc1)c1cc2ccccc2o1,CID741777,,,,,,,,,,,,,,0.0,0.0,,
O=C1C=CC([N+](=O)[O-])=C/C1=C\Nn1cnc2ccccc21,CID5422049,,,,,,,,,,,,,,,0.0,,
O=C(N/N=C/c1ccncc1)c1ccc(COc2cccc3cccnc23)cc1,CID2342515,,,,,,,,,,,,,,,0.0,,
Cc1noc(C)c1C(c1ccccc1)c1ccccc1,CID4386086,,,,,,,,,,,,,,,0.0,,
Cc1cc(NC(=O)CSc2nnc(Cc3ccccc3)o2)no1,CID974449,,,,,0.0,,,0.0,0.0,,,,0.0,,,0.0,0.0
COCCN(CC(=O)NC1CCCCC1)C(=O)c1csnn1,CID3219444,,,,,,0.0,,,,,,0.0,,,,,
c1ccc2c(N3CCCC3)nc(-c3ccncc3)nc2c1,CID659763,,1.0,,0.0,,0.0,0.0,,,,,0.0,,,0.0,,
O=C(Cn1c(=O)sc2ccccc21)NCc1ccco1,CID651550,,,,,0.0,0.0,,,,0.0,0.0,,,,,,
O=C(CN1C(=O)C2CCc3[nH]c4ccccc4c3C2C1=O)N1CCCC1,CID651556,,,,,0.0,,,,,0.0,0.0,,,,,,
CN1/C(=C/C=N/n2cnnc2)C(C)(C)c2ccccc21,CID1711870,,0.0,,,,,,,,,,,,,,,
O=C1COc2ccc(C(=O)COC(=O)Cn3cnc4ccccc43)cc2N1,CID2997687,,,0.0,0.0,,0.0,,,,,,,0.0,,,,
O=C(OCC1COc2ccccc2O1)c1ccccc1F,CID2997685,,,0.0,,,,,,,,,,,,,,
Cc1ccc(NC(=O)NC(=O)CN2C(=O)NC3(CCc4ccccc43)C2=O)c(C)c1,CID2997682,,,,,,,,,,,,,,,,,0.0
Cn1ccnc1SCC(=O)Nc1sccc1C#N,CID2997683,0.0,0.0,0.0,,,0.0,0.0,,,,,0.0,,,,,
O=C(COC(=O)C1CC(=O)N(Cc2ccccc2)C1)Nc1ccc2c(c1)OCO2,CID2997681,,,,,,,0.0,,,,0.0,,,,0.0,,
O=C(COc1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1)N1CCOCC1,CID2281858,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccc2[nH]c(=O)c(C=C3C(=O)NC(=S)NC3=O)cc2c1,CID5397113,,,,,,,,,,,,,,,0.0,,
Cn1c(-c2cccc(OCc3ccccc3)c2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1,CID4331111,,,,,,,,,,,,,,,0.0,,
C=CCOc1ccc(C2C(C#N)=C(N)N(Nc3ccccc3)C3=C2C(=O)CCC3)cc1OC,CID4383883,,,,,,,,,,,,0.0,,,,,
Cc1noc(-c2ccccc2OC(=O)c2ccccc2)n1,CID878433,0.0,,,,,,0.0,,0.0,,,,0.0,0.0,,,
Cc1cccc(NC(=O)CSc2nc3ccccc3c3nc(CCc4c(C)n[nH]c4C)nn23)c1,CID4189772,,,,,,,,,,,,,,,0.0,,
O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N1CCOCC1,CID1078318,,,0.0,,,,,,,0.0,,,0.0,,,,
Cc1ccc(C)c(/C(O)=C2\C(=O)C(=O)N(CCCn3ccnc3)C2c2ccncc2)c1,CID5769015,,,,,,0.0,0.0,,,,,,,,,,
CCOc1ccc2[nH]c(=O)c(CN(CCOC)C(=O)N3CCOCC3)cc2c1,CID650602,,,,,,,,0.0,,,,,,,,,
COc1cccc(C(C(=O)NC(C)(C)C)N(C(=O)CCC(=O)Nc2cc(C)on2)C2CC2)c1OC,CID650601,,,0.0,,,,,,0.0,,,0.0,,,,,
c1ccc(CCn2nnnc2C(c2ccccn2)N(Cc2ccco2)Cc2cccs2)cc1,CID650607,0.0,,,,,,,,,,,,,,,,
O=C(CN(Cc1ccc2c(c1)OCO2)C(=O)CSc1nc2ccccc2o1)NC1CCCCC1,CID650606,0.0,,,,0.0,,0.0,,,0.0,,,,,,,
CC(C)(C)c1cc(C(=O)NCc2ccco2)ccn1,CID826921,,,,0.0,,,,0.0,,,,,0.0,,,,
CC(=O)Oc1ccc(-c2cccc(C(=O)Oc3ccccc3)c2)cc1,CID886518,,,,,,,,,,,,0.0,,,,,
CN(C)c1nc(N)nc(/C(C#N)=C/C2CC3C=CC2C3)n1,CID5293405,,,,0.0,,,,,,,,,,,,,
COC(=O)C(NC(=O)c1ccccc1)(Nc1cc(C)cc(C)n1)C(F)(F)F,CID3559132,,,,,,,,,0.0,,,,,,,,
COc1ccc(-c2nn(-c3ccccc3C)cc2CNCc2cccnc2)cc1F,CID16189913,,,,,,,,,,,,,,,0.0,,
CC(C)=CCN1CCN(Cc2cnc(N3CCCC3)s2)CC1CCO,CID16189910,,,,,,,,,,,,,,0.0,,,
CC(/C=N/NC(=O)c1cc(-c2ccncc2)nc2ccccc12)=C\c1ccco1,CID1767752,,,,,,,,,,,,0.0,,,0.0,,
CC(C)OC(=O)c1c2nc3ccccc3nc2n2c1[nH]c(=O)c1ccccc12,CID5389172,,,,,,,,,,,,,,,,,0.0
CC(C)(C)C(=O)C1=NON(O)/C1=C(/N=O)C(C)(C)C,CID5389173,,,,,,,,,,,,,,0.0,,,
C/N=c1\scc(C)n1/N=C/c1ccc2c(c1)OCO2,CID2385730,,,,0.0,,,,,,,,,,,0.0,,0.0
Cn1c(=O)c2c(nc3sccn32)n(C)c1=O,CID913284,,0.0,,,,,,,,,,,,,,,
Cc1ccc(-c2csc3ncnc(SCc4ccc(C(=O)O)cc4)c23)cc1,CID1264922,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1cn2ccsc2n1,CID2999820,,,0.0,0.0,0.0,,,,,,0.0,,,,,,0.0
O=C(CCn1cnnn1)Nc1cccc(F)c1,CID1511817,,,,,,,,,,,,,,0.0,,,
O=C(COC(=O)c1cccc(C(=O)OCC(=O)NC2CCCCC2)n1)NC1CCCCC1,CID2999823,,,,,,,,,0.0,,,,0.0,,,,
COc1cc(CCC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)cc(OC)c1OC,CID2999828,,,,,0.0,,,,,,,,,,,0.0,
COC(=O)c1cc(Br)c(=O)n(CCN2CCCC2)c1,CID946098,,,,,,,,,0.0,,0.0,,,,0.0,,
COc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)o2)cc1,CID3593668,,,,,,,,,,,,0.0,,,,0.0,
O=C(Nc1ccon1)c1ccc(Br)o1,CID1237630,0.0,,,,,,,,0.0,,,0.0,,,,0.0,0.0
O=C(CSc1ncn[nH]1)Nc1ccccc1-c1ccccc1,CID2306282,,,,,,,,,,,,,,,0.0,,
COc1ccc(-n2nc(C(=O)Nc3ccc4c(c3)OCO4)c3c4ccccc4n(C)c3c2=O)cc1,CID3236606,0.0,,,,0.0,,,0.0,0.0,,0.0,0.0,0.0,,,,
COc1ccc(CCn2c(=S)[nH]c3cc(C(=O)NCc4ccco4)ccc3c2=O)cc1OC,CID3236605,,0.0,,,0.0,,0.0,,,,,,,,,,
O=C(CCS(=O)(=O)c1cc(Br)cc2c1N(C(=O)C1CC1)CC2)NCC1CCCO1,CID3236600,,,,,,,,,,,,,,,,0.0,
NC(=O)C1=NOC(CNc2ncc(C(F)(F)F)cc2Cl)C1,CID2765101,,,,,,,,,0.0,,,,,,,,
C=CCc1c(C)nc(C)nc1NN/C=C1\C=CC=CC1=O,CID5851399,,,,,,,,,,0.0,,,,,,,
C=CCC1=CC=C/C(=C\Nc2ncn[nH]2)C1=O,CID5333098,,,,,,,,0.0,,,,,,,0.0,,
CCN1CCN(c2ccc(-n3c(C)nc4c(cnn4-c4ccccc4Cl)c3=O)cc2)CC1,CID3245389,0.0,,,,,,,,,0.0,,,,,,,
O=S1(=O)C=C(Oc2ccc3ccccc3c2)c2ccccc21,CID950756,,,,,,,,,,,0.0,,,,,,
O=C(CCCn1c(=O)c2sccc2n(CC(=O)OCc2ccccc2)c1=O)NCc1ccco1,CID3245381,,,,,0.0,,,,,,,,,,,0.0,
COc1ccccc1C1C2=C(C)NN(c3ccccc3)C2=NC(=O)C1NC(=O)c1ccccc1,CID5815162,,,,,,,,,,,,,,0.0,,,
O=C(NCCO)/C(=C\c1ccc(Br)cc1)NC(=O)c1cccs1,CID1893230,,,,,,,,,,,,,,0.0,,,
COc1cccc(C(=O)C2CCCN(Cc3cccc4c3OCO4)C2)c1,CID16192401,,,,,,,,,,,,,,,0.0,,
O=C(Cc1cccc2ccccc12)Nc1ccccc1C(=O)O,CID775693,,,,,,,,,,0.0,0.0,,,,,,
OC(COc1ccc2ccccc2c1Br)Cn1cnc(-c2ccccc2)c1,CID2946413,,,,,,,,,0.0,,,,,,,,
O=C(Cc1c[nH]c2ccccc12)Nc1nc2ccccc2[nH]1,CID2125826,,,,,,0.0,,,,,,,,,,0.0,
Cc1nnc(SCC(=O)N2CC(=O)Nc3ccccc32)n1C,CID2536591,,,,,,0.0,,,,0.0,,0.0,,,,,
CCSc1nnc(NC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)s1,CID2125828,,,,,0.0,,,,0.0,,,,,,,,
O=C(Cc1c[nH]c2ccccc12)OCCOC(=O)Cc1c[nH]c2ccccc12,CID582695,,,,,,,,,0.0,,,0.0,,,,,
Cc1cc(=O)n2nc(N3CCCC(C(=O)N4CCOCC4)C3)sc2n1,CID3245528,,,,,,,,0.0,,,,,,,,,
O=C(NCCCn1ccnc1)c1cc2c(s1)CCCCC2,CID2970718,,0.0,,0.0,,,0.0,,,0.0,,0.0,,,,0.0,
O=C(Cc1ccccc1)c1nnc(-c2ccccc2)o1,CID2461697,,,,,,,,,,,,,,0.0,,,
COc1ccc(N2CCN(CCCNC(=O)CCCn3c(=O)[nH]c4ccsc4c3=O)CC2)cc1,CID3245527,,,,,,,,,,,,0.0,,,,0.0,
COc1cc(OC)nc(NC2OC(=O)c3ccccc32)n1,CID664929,,,,,0.0,,0.0,,0.0,,0.0,,,,,,
CCOC(=O)c1c(NC(=O)CCC(=O)N2CCOCC2)sc2c1CC(C)(C)OC2,CID1092646,,,,,,,,,0.0,0.0,,,,,,,
Cc1c(NC(=O)C2CCCNC2=O)c(=O)n(-c2ccccc2)n1C,CID664928,,,,0.0,,,0.0,,,,,,,,,,
CN(C)S(=O)(=O)c1cccc(CSc2cccc[n+]2[O-])c1,CID2080061,,,0.0,,0.0,,,,0.0,0.0,0.0,,0.0,0.0,,0.0,
CCOc1ccc(NC(=O)N(C2CCCCC2)C(C)c2ccncc2)cc1,CID3244432,0.0,0.0,0.0,,,0.0,,,,,,,,,,,0.0
Cc1noc(C)c1CSc1ccc(Br)cc1,CID1486788,,,,,,,,,,,,,,0.0,,,
c1ccc2c(NC3CCCC3)nnc(NC3CCCC3)c2c1,CID1207987,,0.0,0.0,,,,,0.0,,,0.0,,,,,,
O=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1ncn[nH]1,CID709591,0.0,,,,,,,,,,,,,,0.0,,
CC1(C)CC(=O)C(=CNCc2ccc3c(c2)OCO3)C(=O)C1,CID2848899,0.0,,,0.0,0.0,,0.0,,,0.0,,0.0,,,,0.0,
Cc1sc2nc3c4ccccc4c(NCc4ccco4)nn3c(=O)c2c1C,CID1190244,0.0,,,0.0,,,0.0,,,,,,,,,,
COc1ccc2c(c1OC)C(=O)N1N=C(c3ccc(Cl)cc3)CC21,CID2848890,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1C(=O)Oc1ccc(Br)cc1C(=S)N1CCCC1,CID1021117,,,,,,,,,,,,,,0.0,,,
CCC1C(=O)N=C(SCC(=O)Nc2nc(-c3ccccc3)cs2)NC1=O,CID2875569,,,,,,0.0,,,,,,,,,,,
CN(Cc1ccccc1)C(=O)COC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O,CID2455528,,,,,,,,,,,,,,,0.0,,
O=C(Nc1cc(C(=O)N2CCOCC2)ccc1N1CCCC1)c1cccs1,CID1252205,,,,,,,,0.0,,,0.0,,0.0,,0.0,,0.0
COc1ccc(S(=O)(=O)N/N=C/c2ccc(OCCN3CCOCC3)c(OC)c2)cc1,CID1371830,,,,,,,,,,,,,,,0.0,,
O=C(c1cccc(S(=O)(=O)N2CCCC2)c1)c1cccc(S(=O)(=O)N2CCCC2)c1,CID1205752,,,,,0.0,0.0,,,,,0.0,,,,0.0,0.0,
CC1Cc2ccccc2N1C(=O)Cn1c(O)cc(=O)c2ccccc21,CID5033376,,,,,,0.0,,,,,,,,,,,
CC1(C(=O)NC2CCCCCCC2)CCC(=O)N1Cc1ccco1,CID3240848,0.0,,,0.0,,,,,,,,,,,,,
COc1ccc(C(CCc2ccc(C)o2)NC(=O)Nc2ccc(OC)cc2OC)cc1,CID3240845,,0.0,0.0,,,0.0,0.0,,,,,,,,,,
O=C(C1CC1)N1CCc2cc(S(=O)(=O)N3CCOCC3)ccc21,CID3240847,0.0,,,,,,,,,0.0,,,,0.0,,0.0,
CCC1(CC)C(=O)NN(c2ccccc2)C1=O,CID3031300,,,,,,,,,,0.0,0.0,0.0,,,0.0,,
c1cn(CC2(Cn3ccnc3)COC2)cn1,CID665046,,,,,,,,0.0,,,,,0.0,,0.0,,
Cc1ccn2cc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)nc2c1,CID5310361,,,,,,,,0.0,,,,,,,,,
CCOC(=O)c1c(CSc2ccc(C)cc2)oc2ccc(O)cc12,CID911973,,,,,,,,,,,,,,0.0,,,
CCOc1ccc2nc(SCC(=O)N3CCCc4ccccc43)sc2c1,CID1281679,,,,,,0.0,,,,,,,,,0.0,,
O=C(OCCN1CCOCC1)c1cccnc1,CID786453,,,,,,0.0,,,,,,,,,,,
CC1CC(NNC(=O)c2ccccc2)=Nc2ccccc2N1C,CID3477004,,,,,,,,,,,,,,0.0,,,
Cc1nnc(N2CCOCC2)c2nn(-c3ccccc3)c(C)c12,CID848992,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1cnn(-c2ccc(C(C)C)cc2)c1NC(=O)C1CCC1,CID1025740,,,,,,0.0,,,,,,,,,,,
Cc1cccc(C)c1OCC(O)CNS(=O)(=O)c1ccccc1C(=O)N1CCOCC1,CID661314,,,,,0.0,,,,0.0,,0.0,,,,,,
O=C1NCC(COCC2CC=CCC2)O1,CID661316,,,,,,,,0.0,,0.0,,,,,,,0.0
O=C(Cn1nc(C(F)F)cc1C1CC1)NCCC1=CCCCC1,CID893028,,,,,0.0,,0.0,,,,,,0.0,,,,0.0
Cn1ncc(C#N)c1NC(=O)c1nn2cccnc2c1Cl,CID1256253,,0.0,,,,,0.0,,,,,,,,,,
CCOC(=O)C1CCN(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)CC1,CID1330278,,,,,,,,0.0,,,,,0.0,,,,
N#C/C=C1\Sc2ccccc2C(=O)N1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1,CID2088635,,,,,0.0,0.0,,,,,0.0,,,,,,0.0
Cc1cc(C)cc(NC(=O)CC23CC4CC(C2)CC(n2nnc(C)n2)(C4)C3)c1,CID12005108,,,,,,,,,,,,,,,0.0,,
Cc1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n(N)c1=O,CID2100589,,0.0,,,,,0.0,,,,,,,,,,0.0
COc1ccc(C(C[N+](=O)[O-])c2c(C)cc3ccccn23)cc1,CID4986185,,,,,,,,,,,,,,,0.0,,
Cc1cccc(/C=C2\CCC(C3CCCC3)C2=O)c1,CID12005105,,,,,,,,,,,,,,0.0,,,
O=C(Nc1cc(N2CCOCC2)ncn1)c1ccccc1,CID711685,,0.0,0.0,0.0,,,,,,,,,0.0,,,,0.0
O=C(O)CN1C(=O)/C(=C/Nc2ccccc2)SC1=S,CID5749222,,,,0.0,,,,,,,,,,,,0.0,
Cc1ccc(-c2nnc(N3CCCCC3)c3ccccc23)cc1S(=O)(=O)NCC1CCCO1,CID5736676,,,,,,,,,0.0,,,,,,0.0,,
CCOc1ccccc1C1N=C(c2ccc(OC)cc2)CC(c2ccccc2O)N1,CID15995490,,,,,,,,,,,,,,,0.0,,
O=C(CNC(=O)c1ccco1)OCC(=O)c1cccc2ccccc12,CID1739525,,,,,,,,,,,0.0,,,,0.0,,
Cc1noc(C)c1/N=N/c1ccccc1C(=O)O,CID3423729,,,,,,,,,,,,,,0.0,,,
Fc1cccc(C2NN=C(c3ccccc3)S2)c1,CID4395503,,,,,,,,,,,,,,,0.0,,
Cc1cc(N2CCN(C)CC2)nc(N2CCOCC2)n1,CID647957,,0.0,,0.0,,,0.0,0.0,,,,,,,,,
COC(=O)c1oc2ccc(Br)cc2c1NC(=O)CCN1CCOCC1,CID647952,0.0,,,,,,,,0.0,,,0.0,,,,0.0,0.0
O=C(COc1ccc2ccccc2c1)N1CCCC1,CID875060,,,0.0,,,,0.0,0.0,,,,,0.0,,,0.0,
CC(C(=O)NCc1ccccc1)N(CCN1CCOCC1)C(=O)c1snc(C(N)=O)c1N,CID655007,,,,,,,0.0,,,,,,,,,,
COc1ccc(CC2NCCC3(O)CCCCC23)cc1,CID655005,,0.0,,0.0,,0.0,,,,,0.0,,0.0,,,,
CN1C(=O)C(=Cc2ccc(N3CCCCCC3)o2)C(=O)N(C)C1=S,CID880543,,,,,,0.0,,,,,,,,0.0,,,
CC12CCC3c4ccc(O)cc4C(=O)CC3C1CCC2O,CID66419,,,,,,,,,0.0,0.0,,,,,,,
COC(=O)C(C(=O)Nc1cc(C)on1)C1CCCCCC1,CID2946904,,,0.0,,0.0,,,,0.0,0.0,,,0.0,,,,0.0
CCC1(CC)C(=O)C(C)(C)C(=O)OC1c1ccccn1,CID2946900,,,,,,,,,0.0,0.0,,,,,,,
O=C(O)c1cc2c(s1)-c1ccccc1CC2,CID695450,,,,,,,,,,,,,,0.0,,,
N#Cc1cc2c(nc1SCC(=O)N1CCOCC1)CCCCC2,CID695453,,,,,,,,,,0.0,,,,,,,
Cc1ccc(N2CN(Cc3cccnc3)CNC2=S)c(C)c1,CID929853,,,,,,,,,,,,,,,0.0,,
Cc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CN1CCOCC1,CID663051,0.0,,0.0,,,,,,0.0,0.0,,,,,,,
Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccccn3)C2=O)c1,CID1810834,,,,,,,,,,,,,,,0.0,,
COc1ccc(NC(=O)COC(=O)/C=C/c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1,CID5987619,,,,,,,,,,,,,,,0.0,,
O=C(Nc1nccs1)C1C2C=CCCCCC21,CID5741681,,,,0.0,,,,,,,,,,,,,
NC(=O)c1sc2nccc(Nc3ccccc3)c2c1N,CID750059,,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1cnc(SCC(=O)N2CCc3ccccc32)nc1N,CID1249064,,,,0.0,,,,,0.0,,0.0,0.0,,,,0.0,
Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)NCCN3CCOCC3)sc21,CID5309545,0.0,,,0.0,,0.0,,,,,,,0.0,,,,
Fc1ccc(-c2nnc3ccc(N4CCCC4)nn23)cc1,CID5309544,,,,,,,,,,,,,,,0.0,,
CCOC(=O)C1CCCN(c2c(NCC3CCCO3)c(=O)c2=O)C1,CID5309540,,,,,,,,,,,,,,0.0,,,
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/Nc1nc2ccccc2n1C,CID4662344,,,,,,,,,,,,,,,0.0,,
O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)NCCCn1ccnc1,CID650566,0.0,,,,0.0,,,,,,,,,,,,
CC1CCC2(CC1)NC(=O)N(CC(=O)NC(=O)NC1CCCC1)C2=O,CID2578290,,0.0,,,,,0.0,,,,,,,,,,
O=C(O)C1CCCCC1C(=O)NCCCCc1ccccc1,CID650565,,,,,,,,,,0.0,,,,,,,0.0
O=C(NC1(C(F)(F)F)NC(=O)N(C2CCCC2)C1=O)C1CC1,CID2969317,,,,,0.0,,,,,,,0.0,,,,,
N#Cc1nc(-c2ccc(OCc3ccccc3)cc2)oc1NCc1ccco1,CID664587,0.0,0.0,,0.0,,0.0,,,,0.0,,0.0,0.0,,,,0.0
O=C1CCc2nc3ccccc3c(=O)n2N1,CID664585,,,,0.0,,,,,0.0,,0.0,0.0,,,,,
Cc1ccc(-c2noc(CCC(=O)Nc3ccccc3N3CCN(C)CC3)n2)cc1,CID3238119,,0.0,,0.0,,,,,0.0,,,,,,,,
NC(=O)c1c(NC(=O)CN2C(=O)CCC2=O)sc2c1CCCCC2,CID4580816,,,,,,,,,,,,,,,,0.0,
O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccco1,CID2894480,,,,,,,,,,,,,,0.0,,,
C=CCn1c(SCC(=O)NC2CCCC2)nc2scc(-c3ccco3)c2c1=O,CID2089750,0.0,,0.0,0.0,0.0,,,,,,0.0,,0.0,0.0,0.0,,
COc1ccccc1C(=O)NCC(=O)NN/C=C1\C=NN=C1c1ccccc1,CID16195456,,,,,,,,,,,,,,0.0,,,
c1ccc(-c2nnc(SCCC3OCCCO3)o2)cc1,CID697197,,,,,,0.0,,,,,,0.0,,,,,
O=C(O)c1cccc(NC(=S)NN/C=C2\C=Nc3ccccc32)c1,CID16195452,,,,,,,,,,,,,,,0.0,,
O=C(O)CN1C(=O)/C(=C\c2cn(CC(=O)N3CCOCC3)c3ccccc23)SC1=S,CID16195459,,,,,,,,,,,,,,0.0,,,
Cc1nc(C)c2c(=O)n(-c3ccccc3)[nH]cc1-2,CID5309574,,,,,,0.0,,,,,,,,,0.0,,
C=CCSc1nc2ccccc2n1C(=O)/C=C/c1cc(OC)c(OC)c(OC)c1,CID5737516,,,,,,0.0,,,,,,,,,,,
CCN(CC)S(=O)(=O)c1ccc(NN/C=C2\C=C(OC)C=CC2=O)nc1,CID5883140,,,,,,,,,,,,,,,0.0,,
C(=N/n1cnnc1)\C1CCCCC1,CID2998609,,,0.0,,,,,,,,,,,,,0.0,
Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)Nc1ncn[nH]1,CID2998603,,,,,,,,,,0.0,0.0,,,,,,
CC(C(=O)NC1CCCc2ccccc21)N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID2998602,,,,0.0,,,,,,,,,,,,,
O=C(NC1CCS(=O)(=O)C1)c1ccc(-c2ccc(Br)cc2)o1,CID2998607,,,,,,,,,0.0,,,,,,,,0.0
CC(=O)N1CCN(c2ccc(Oc3nc(-c4ccccc4)nc4ccccc34)cc2)CC1,CID2998606,0.0,,0.0,0.0,,,,,,,,,,,,,
O=C1c2cccc3cccc(c23)C(=O)N1c1ccncc1,CID971219,,,,,,,,,,,0.0,,,0.0,,,
CCC(C)(C)n1nnnc1C(c1cccs1)N1CC=C(c2ccc(F)cc2)CC1,CID655861,0.0,,,,,,,,,,,,,,,,
CCOC(=O)c1ccc(NC(=O)NCc2ccn(CC)n2)cc1,CID971212,,,0.0,,,,,0.0,0.0,,,,,,0.0,,
O=C(c1ccco1)N1CCN(c2nc(C3CC3)nc3sc4c(c23)CCCC4)CC1,CID655864,0.0,,,0.0,,,,0.0,,,,,0.0,,,,0.0
Cc1ccc(-c2nnn(CCC(=O)Nc3ccc4c(c3)OCO4)n2)cc1,CID655867,0.0,0.0,0.0,,,,,,,,,0.0,,,,,
COc1ccc(NC(=O)C2CCC(=O)N2S(=O)(=O)c2ccc(C)cc2)c(OC)c1,CID2957869,,,,,0.0,,,0.0,,,0.0,,0.0,,,0.0,0.0
CCOc1ccc2nc(NC(=O)CN3CCC(n4nnc5cc(F)ccc54)CC3)sc2c1,CID647168,,,0.0,,,,,,,,0.0,,0.0,,,0.0,0.0
CN1CCN(C(=O)c2ccc3c(c2)NC(=O)C(C)(C)O3)CC1,CID647167,,,,,,0.0,,,0.0,,,0.0,0.0,,,,
CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(-c2ccccc2F)o1,CID2892678,,,,,,,,,,,,,,0.0,,,
CCn1c(=S)sc2c(=O)nc(C)[nH]c21,CID706865,,,,,,,,,,,,,0.0,,,,
O=C(O)C1C2CCC(O2)C1C(=O)NCc1ccncc1,CID3242778,,,,,,,0.0,0.0,,,,,,,0.0,,
COc1ccc(S(=O)(=O)CCC(=O)N2CC(=O)N(CCc3ccccc3)C(=O)C2)cc1,CID3242779,,,0.0,0.0,,,,,,0.0,,,0.0,,,0.0,0.0
COc1ccc2c(c1)CCc1c(C(=O)N3CCCC3)noc1-2,CID3242775,,,0.0,,,,,0.0,,,,,,,,,
CCc1nnc(NC(=O)C2CCCN2C(=O)NC2CCCCC2)s1,CID648094,,,,,,,,,,,0.0,,,,,0.0,
Cc1nc2ccc(NC(=O)c3nn(CC(C)C)c(=O)c4ccccc34)cc2s1,CID2418310,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C(C(=O)OCC)C1N=C(N)N=C2Oc3ccccc3N21,CID2999558,,,,0.0,,,,,,,,,,,,,
O=C(NC1CCCc2ccccc21)c1cccnc1,CID2999551,,,0.0,,0.0,,,,,,,,,,,0.0,
CC1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N2CCCC2)C1=O,CID2999552,0.0,0.0,,0.0,,,0.0,,,0.0,,,0.0,,,0.0,0.0
COc1ccc(C2(C(F)(F)F)NC(=O)N(C)C(=O)N2C)cc1,CID2999555,,,,,0.0,,,,0.0,,,,,,,,0.0
COc1ccc(OCC(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1,CID2999557,,,,,0.0,,,0.0,,0.0,0.0,,,,,,
CCOC(=O)C1CCN(C(=O)Nc2ccc3snnc3c2)CC1,CID972742,,0.0,,,,0.0,,,,,,0.0,,,,0.0,
O=C(CCCN1C(=O)c2ccccc2C1=O)NC1CCCCCC1,CID2066140,,,,,,,,,0.0,,,,,,,,
O=C(N1CCC(O)(c2cccnc2)CC1)C12CC3CC(CC(C3)C1)C2,CID644435,,,0.0,,,,,,,,0.0,,,,0.0,0.0,
CC12COC3(C(=O)Nc4cccnc4)CC1CCC32C,CID644434,,,,,,,,,,,,,,,,,0.0
O=C(c1cnn(-c2nc3ccccc3s2)c1)c1ccccc1O,CID2400664,0.0,0.0,,,0.0,0.0,0.0,,,,,,0.0,0.0,,,
O=C(Nc1ccc(Cn2nnc3ccccc32)cc1)c1ccco1,CID645142,0.0,0.0,0.0,0.0,,,,0.0,,,0.0,0.0,,,,,
Cc1sc2nc(C3CC3)nc(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)c2c1C,CID645140,,,,,0.0,,,,,,0.0,,,,,,
O=C(CSc1nnc(COc2cccc3ccccc23)o1)N1CCN(C(=O)c2ccco2)CC1,CID645141,,,,,,,,,,,,,,,,0.0,0.0
COCCn1c(SCC(=O)Nc2ncc(C)s2)nc2sc3c(c2c1=O)CCC3,CID645146,,,,,0.0,,0.0,,0.0,,,,,,,0.0,
COc1ccc(CN(CC(=O)NC2CCCC2)C(=O)c2onc(C(N)=O)c2N)cc1,CID645147,,,0.0,,,,,,,,,0.0,0.0,,,,
CNc1nnc(CSc2nc(C)cc(C)n2)s1,CID2952996,0.0,,,,,,,,,,,,,,,,
O=C(Cn1cc(C(=O)C2CC2)c2ccccc21)NCC1CCCO1,CID2952993,,,,,,,,0.0,,,,,,,,,
C=CCn1c(SCc2ccc3nonc3c2)nnc1-c1cccs1,CID1260284,0.0,0.0,,0.0,0.0,,,,,0.0,,,,,,,
CC1(C)CC(=O)C2=C(C1)OC(=O)C2(NC(=O)c1cccs1)C(F)(F)F,CID3237065,,,,,0.0,,,,,,,,,,,,0.0
Nc1[nH]c(SCC(=O)N2CCc3ccccc32)nc(=O)c1-c1ccccc1,CID1095473,,,,0.0,0.0,,,,,,0.0,,0.0,,,,
CCCc1nn(C)c2c1C(c1cccnc1)C(C#N)=C(N)O2,CID658336,,0.0,,0.0,,,,,,,,,,,,,
Nc1[nH]c(SCC(=O)N2CCc3ccccc3C2)nc(=O)c1-c1ccccc1,CID1095470,,,,,0.0,,,,,,0.0,,,,,0.0,
Cc1nnc(N2CCOCC2)c2ccccc12,CID658331,,,0.0,,,0.0,0.0,0.0,,,,,,,0.0,,
Nc1[nH]c(SCC(=O)N2CCCc3ccccc32)nc(=O)c1-c1ccccc1,CID1095474,,,,,0.0,,,0.0,,,,,,,,0.0,
CC1C(c2ccccc2)=[N+]([O-])C2(CCCCC2)N1O,CID2888441,,,,,,0.0,,,,0.0,,,,,,,
CN(Cc1nc2ccc(F)cc2[nH]1)Cc1c(C(=O)N(C)C)nc2ccc(Cl)cn12,CID16192394,,,,,,,,,,,,,,0.0,,,
Cn1c(C(=O)NCCN2CCOCC2)cc2sccc21,CID3242210,,0.0,0.0,,,,,0.0,,,,,,,,,
O=C1c2ccccc2C(=O)N1c1nc(-c2cccs2)cs1,CID2220414,0.0,,,,0.0,,,,0.0,0.0,,,,,0.0,0.0,
CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccnn2C2CCCCC2)cc1,CID2095800,0.0,0.0,,0.0,,,,0.0,,,0.0,,,,,0.0,0.0
CCn1c2ccccc2c2cc(NC(=O)COC(=O)c3ccccc3F)ccc21,CID2352656,,,,,,,,,,,,,,,0.0,,
O=C(O)CCc1ccc(-c2cccs2)o1,CID709558,,,,0.0,,,,,0.0,0.0,0.0,,,0.0,,,
Cc1ccc(SCc2[nH]nc3c2C(c2cccnc2)C(C#N)=C(N)O3)cc1,CID660053,,,0.0,,0.0,,0.0,,,0.0,0.0,,,,,0.0,
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccncc2)o1,CID2318003,,,,,,,,,,,,,,0.0,0.0,,
C/C(=N\NC(=O)c1ccccn1)C12CC3CC(CC(C3)C1)C2,CID2852529,,,,,,0.0,,,,,,0.0,,,,,
CC(=O)Nc1ccc(SCC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1,CID2086773,,,,,,,,,,,,,,0.0,,,
CCOc1c(Cl)cc(C(=O)NCCN2CCCCC2)cc1Cl,CID890626,0.0,,,,,,,,,,,0.0,,,,,
CCCn1c(N)c(-c2nc(-c3ccco3)c(C(=O)c3ccccc3)s2)c(=O)n(C)c1=O,CID2123184,,0.0,0.0,0.0,,,0.0,0.0,,0.0,,,,,,,
Cc1sc2nc3ccc(N4CCCCC4)nn3c(=O)c2c1C,CID706057,0.0,,,0.0,,,,0.0,,,,,0.0,,,0.0,
Cc1ccc(NC(=O)CCC(=O)NNC(=O)COc2cccc3ccccc23)c(C)c1,CID1790192,,,,,,0.0,,,,,,,,,,,
COc1ccc2c(c1)c(=O)oc1cc(OCC(=O)N3CCC(C)CC3)ccc12,CID2938022,,,0.0,,,,0.0,0.0,,,,,0.0,,0.0,,
Cn1nccc1CNC(=O)c1c(Cl)cnn1C,CID843848,,,,,,,,,,,,,,,0.0,,
O=C(NCc1cccnc1)/C(=C/c1ccco1)NC(=O)c1ccccc1,CID2874943,,,,,,,,,,,,0.0,,,,,
O=C(CSc1nc(=O)c2ccccc2[nH]1)c1cccs1,CID742752,,0.0,,0.0,0.0,,0.0,,0.0,0.0,,,,,,,
Cn1nc(-c2ccc(OCC(=O)Nc3cccnc3)cc2)c2ccccc2c1=O,CID2029410,,,,0.0,,,,,,,,0.0,,,,,
COc1cc2c(cc1OC)C1(CCCC1)C(=O)OC2,CID749856,,,0.0,,,,0.0,0.0,0.0,,,,,,,,
COc1nnc(-c2ccc(N3CCOCC3)c(NC(=O)C3CCCCC3)c2)c2ccccc12,CID2945285,,,,,,0.0,,,,,,0.0,,,,,
O=C(Cn1[nH]c(=O)c2ccccc2c1=O)OCC(=O)N(Cc1ccccc1)Cc1ccccc1,CID2603960,,,,,,,,,0.0,,0.0,0.0,,,,,
COc1ccc(N2C(=O)c3ccccc3N/C2=C\C2=c3ccccc3=NC2=O)cc1,CID5891930,,,,,,,,,,,,,,0.0,,,
Cc1cccc(C)c1NC(=O)CN1C(=O)N(C)Cc2ccccc21,CID1503588,,,,,,,,,,,,,,0.0,,,
CC(CCc1ccccc1)Nc1cc(N2CCN(C(=O)c3ccccc3F)CC2)ccc1[N+](=O)[O-],CID4308362,,,,,,0.0,,,,,,,,,,,
COc1cccc(-c2cc(C(=O)N3CCCCCC3)no2)c1,CID5309089,0.0,0.0,0.0,,,,0.0,,,,,,,,,,
Cc1ccn2c(C(=O)NN=C3CCN(C)CC3)c(C)nc2c1,CID16193258,,,,,,,,,,,,,,,0.0,,
CC(C)CCOc1ccc(NC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1,CID3135002,,,,,,,,,,,,0.0,,,,,
O=C(c1noc2c1CCCCC2)N1CCN(C(c2ccccc2)c2ccccc2)CC1,CID3239471,0.0,,0.0,,,,,,,0.0,,,,,,,0.0
Cc1cccc(N(C(=O)CCC(=O)Nc2nccs2)C(C(=O)NC(C)(C)C)c2ccc(O)cc2)c1,CID3205494,,,,,,,,,,,,,,,0.0,,
c1ccc(N2CCN(Cc3ccnc4ccccc34)CC2)cc1,CID782193,,0.0,,,,,,,,,,,,,0.0,,
CCCCC(=O)N/N=C/c1ccc(Sc2cccc3cccnc23)o1,CID2225939,,,,,,,,,,0.0,,,,,,,
Cn1c(=O)oc2cc(S(=O)(=O)NCCC(=O)N3CCc4ccccc4C3)ccc21,CID3242215,,,,,,,,,0.0,,,,,,,,
CC1CC(C)(C)Nc2ccc(OC(=O)c3ccco3)cc21,CID2927276,0.0,,,,,,,,0.0,,0.0,,0.0,,,0.0,0.0
CC(C)(C)OC(=O)N1CC2Cc3[nH]c(=O)ccc3C(C2)C1,CID2955046,,,0.0,,,,,,,,,,,,0.0,,
Cc1cc(C)c(NC(=O)CCCN2CCOCC2)c(C)c1,CID779146,0.0,,,,,,,,,,,0.0,,,,,0.0
CC(=O)N1CCc2cc(S(=O)(=O)NCCC3=CCCCC3)ccc21,CID3245229,,,,,,,,0.0,0.0,,,,0.0,,,0.0,0.0
O=C1c2ccccc2C(=O)C12Cc1ccccc1N1CCN(c3ccccc3)CC12,CID667179,,,,,,,0.0,,,,,,,,,,
CCOC(=O)N1CCN(C2=NC3(CCCCC3)C(C#N)C(=O)N2)CC1,CID667177,,,,0.0,,,0.0,0.0,,,,,,,,,
O=C(NCCCN1CCCCCC1)c1ccc(N2CCCC2=O)cc1,CID3245225,,0.0,,,,,,,,,,0.0,0.0,,,,
COc1cccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccco3)cc2)c1,CID2214681,,,,,,,0.0,,,0.0,,,,,,0.0,
CCOC(=O)CCc1c(C)nc(SCCN2CCCC2)c(C#N)c1C,CID655537,,,,,0.0,0.0,0.0,0.0,,0.0,0.0,,,,,0.0,
COCCNC(=O)c1cc(-c2ccc3c(c2)OCO3)on1,CID3244570,,,,,,,0.0,0.0,,,,,,,,,
CC1CCN(S(=O)(=O)c2cn(CC(=O)N3CCN(C)CC3)c(=O)c3ccccc23)CC1,CID3244571,,,,0.0,,,,,,,,,,,,,0.0
CCCN1Cc2cccc(C(=O)Nc3ccc4c(c3)OCO4)c2C1=O,CID3244572,,,,,0.0,,0.0,,,,,,,,,0.0,
Cc1cc(NC(=O)NC2(C(F)(F)F)Oc3ccc(Cl)cc3O2)no1,CID3244573,,,,,,,,,,,,,,,,,0.0
O=C(Nc1ccc2c(c1)OCO2)NC1CCN(Cc2ccccc2)CC1,CID2211100,0.0,,0.0,,,,,,,,,0.0,,,,,0.0
Oc1csc(Cc2nc(-c3ccc4ccccc4c3)cs2)n1,CID1482061,,,,,,,,,,,,,,0.0,,,
CN(CC(=O)N1CCCCCC1)S(=O)(=O)c1ccc(Br)s1,CID3238971,,,,,,,,,0.0,,,,,,,0.0,
CN1CCN(C2CCCCCC2)CC1,CID784281,,,,,,,,,,,,0.0,,,,0.0,
COCc1c(C(=O)OCc2c(C)noc2C)oc2ccccc12,CID2570598,,,,,,,,,,,,,,0.0,,,
C=CCC(c1ccccc1)N(C(C)=O)c1ccco1,CID3147167,,,,,,,,,,,,,,0.0,,,
O=C1/C(=C/Nc2ccccc2NS(=O)(=O)c2ccccc2)CCc2ccccc21,CID1120488,,,,,,0.0,,,,,,,,,,,
O=C(CSc1nc(=O)cc(O)n1-c1ccccc1)NCc1ccccc1,CID1379360,0.0,0.0,0.0,0.0,0.0,,,,,,0.0,,,,,0.0,
COc1ccccc1N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC1,CID2945967,,,0.0,0.0,0.0,,,0.0,,,,,,,,,0.0
O=C(NC1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)NCC2CCCO2)cc1,CID2945968,,,,,0.0,,,,0.0,,,,,,,,
O=C(Nc1c(Cl)cccc1Cl)c1cc(=O)n(Cc2ccccc2)c(=O)[nH]1,CID3294380,,,,,,,,,,,,0.0,,,0.0,,
O=C(NC1CC1)c1cc(=O)c2ccccc2o1,CID4251624,,,,,,0.0,,,,,,,,,0.0,,
O=C(NC1=NCCS1)c1ccc(-c2ccc(Cl)cc2)o1,CID924639,,0.0,,,,,,,,0.0,,,,,,,0.0
CC(=O)N1CCN(c2nc(-c3ccco3)c3c(c2C#N)CC(C)(C)SC3)CC1,CID626829,,,,,,,,,,,,,,,0.0,,
C/C(=N\NC(=O)c1ccc(O)cc1)c1ccc2c(c1)Nc1ccccc1S2,CID3307928,,,,,,,,,,,,,,,0.0,,
NC1=C(c2ccccc2)C(=O)CN1c1ccc2c(c1)OCO2,CID2991279,0.0,,,,,,,,,,,,,,,,
c1ccc(CSc2nnc(-c3ccco3)n2Cc2ccccc2)cc1,CID2234685,0.0,,,,0.0,,,,,0.0,,0.0,0.0,,,0.0,0.0
CCOC(=O)c1ccc2nc(NC(=O)COC(=O)c3cc4ccccc4o3)sc2c1,CID1238476,,,,,,0.0,,,,,,,,,,,
O=C1NC(Nc2nccs2)(C(F)(F)F)C(=O)N1CCc1ccccc1,CID664219,0.0,,,,0.0,,,0.0,,0.0,,,,,,,0.0
CC(C)c1ccccc1NC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1,CID2459679,,,,,,,,,,,,,,,0.0,,
O=C(/C=C/c1ccco1)Nc1ccccc1N1CCCC1,CID890727,,,,,,,,,,,,,,,0.0,,
Cc1cc2c(C)nc(-c3ccccc3)nc2o1,CID757837,,,,,,,,,0.0,,,,0.0,,,,
Nc1c(N2CCN(c3ccccc3)CC2)c2ccccc2oc1=O,CID50496,0.0,,0.0,,,,0.0,,,,0.0,,,,0.0,,0.0
O=C(C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1)N1CCCc2ccccc21,CID3242127,0.0,,,,0.0,0.0,,,,0.0,0.0,,,,,0.0,
CC(=O)Nc1ccc(S(=O)(=O)N(C)S(=O)(=O)c2ccc(F)cc2)cc1,CID2621310,,,,,0.0,,0.0,,,,,,,0.0,,,
O=C1CCCC(=O)C1=CNc1ccc2c(c1)oc1ccccc12,CID654328,,,,,,,,,,0.0,,,0.0,,0.0,0.0,
O=c1c(C(c2nnnn2C2CCCCC2)N2CCCCC2)coc2ccc(Cl)cc12,CID649437,0.0,,0.0,,,,,,,,,,,,,,
Cc1noc(C)c1CSc1ncnc2ccccc12,CID2410091,,,,,,,0.0,,,0.0,0.0,0.0,0.0,,,,0.0
COc1ccc(CNCCNC(=O)c2ccco2)c(OC)c1OC,CID649433,0.0,,,,0.0,,0.0,,,,,0.0,,,,,
O=C(COc1ccc(Br)cc1Cl)NC(=O)Nc1ccc2c(c1)OCCO2,CID2565158,,,,,,,,,,,,,,0.0,,,
COCCn1nnnc1C(c1cc2ccc(C)cc2[nH]c1=O)N(Cc1ccco1)Cc1cccs1,CID649438,0.0,,0.0,,,,,,,,,,,,,,0.0
Cc1cc(C)nc(N2CCCC(C(=O)NCCC3=CCCCC3)C2)n1,CID649439,,,,,,,,,,,0.0,,,,,,
N#Cc1c(-c2ccco2)ccn(Cc2cccc(F)c2)c1=O,CID1489164,,,,,,,,,,,,,,,0.0,,
O=C1CC(c2ccco2)CC(=O)C1=CNCCO,CID1906879,,,,,0.0,,,0.0,,0.0,,,,,,,
Cc1ccc(S(=O)(=O)Nc2ccc3nc(-c4cccn4C)[nH]c3c2)cc1,CID1051134,,0.0,,,0.0,,,0.0,,,0.0,,,,,0.0,
O=c1cc(O)[nH]c(Cl)c1-c1ccccc1,CID2768959,,,,,,,,,0.0,0.0,,,,0.0,,,
COCC/N=C1\Sc2nc3ccc(C)cc3cc2CN1Cc1cccs1,CID3213232,,,,,,,,,,,,,,0.0,,,
Nc1nc(N)c2nc(-c3ccccc3)c(N)nc2n1,CID5546,,,,,,,,,0.0,0.0,,,,,,,
CC1(C)CC(=O)C(C(=O)CCCCC(=O)C2C(=O)CC(C)(C)CC2=O)C(=O)C1,CID3239556,,,,,,,,,,,,,0.0,,,,
COc1ccc(CCNC(=O)CCN2C(=O)C3CC=CCC3C2=O)cc1OC,CID3239553,,,0.0,,,,,,,,,,,,,,0.0
COc1ccc(Cl)cc1C(=O)NNC(=O)c1cccnc1,CID2233775,,,,,,,,,,,,,,,0.0,,
CC1CCN(S(=O)(=O)N2CCC(C(=O)NCCC3=CCCCC3)CC2)CC1,CID4983363,,,,,,,,,,,,,,,0.0,,
CCOC(=O)Cn1c(=O)n(Cc2ccco2)c(=O)c2ccc(C(=O)NC3CCCC3)cc21,CID6619501,,,,,,0.0,,,,,,,,,,,
O=C(CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NCc1ccccn1,CID646960,0.0,0.0,,,0.0,,,,,0.0,,,,,,,0.0
COc1ccc(C(c2nnnn2Cc2cccs2)N2CCC(C(N)=O)CC2)c(OC)c1,CID646962,,,0.0,,0.0,,,,,,,,,,,0.0,
O=C1CCC(=O)N1CC(=O)N1c2ccccc2Sc2ccccc21,CID692256,,,0.0,0.0,,,0.0,,,,,,,,,,
COc1ccc(OC)c(Nc2nc3nonc3nc2N2CCCCC2)c1,CID1105630,,,,,,,,,,,,,,,0.0,,
O=S(=O)(Nc1cccc(CCc2ccccn2)c1)c1ccc2ccccc2c1,CID1327896,,,,,,0.0,,,,,,,,,,,
O=C(OCCNC1=NS(=O)(=O)c2ccccc21)c1cccnc1,CID652274,0.0,,0.0,0.0,,,0.0,,0.0,,0.0,,,0.0,,0.0,
O=C(CSc1nnnn1C1CCCCC1)N1CCCC1,CID652277,,,,0.0,0.0,,0.0,0.0,,,,,0.0,,,,
Cn1nnc(NC(=O)c2ccc3ccccc3c2)n1,CID933405,,,,,,,,,,,,0.0,,,0.0,,
O=C(O)C1CCCCC1C(=O)NCCCn1ccnc1,CID2933526,,,,,,,,,,0.0,,,,,,,
CCn1c(CSc2nc3ccccc3[nH]2)n[nH]c1=S,CID716454,0.0,0.0,0.0,,0.0,,,,,0.0,,,0.0,,,,
O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1ccccc1Br,CID2248250,,,,,,,,,,,,0.0,,,,,
O=C(Cn1cnc2c(nnn2-c2ccccc2)c1=O)NCCc1ccccc1,CID5310342,,,,,,,0.0,0.0,,,,,,,,,
CCS(=O)(=O)Nc1cc(-c2nc3cccnc3s2)ccc1C,CID5310341,,0.0,,,,,,,,,,,0.0,,,,
Cc1cc(NC(=O)CN2CC3CC(C2)c2cccc(=O)n2C3)nc2c1c(=O)oc1ccccc12,CID5310340,,,,,,,,,,,0.0,,,,,,
CC(NC(=O)NC1CCCCC1)C(c1cccs1)N1CCN(C)CC1,CID5310349,,,,,,,,0.0,,,,,,,,,
CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1ccc2c(c1)CCCN2C,CID2945576,,,,,,,,0.0,,,,0.0,,,,,0.0
c1cc2c(c(NCc3ccncc3)c1)CCCC2,CID790999,,0.0,,,,,0.0,0.0,,0.0,,,,,,,
Cc1cc(C(=O)CSc2ccc3c(c2)OCCO3)c(C)n1C1CC1,CID2616128,,,,,,,,,,,,,,0.0,,,
CC(C)OC(=O)CSc1nnc(-c2cnccn2)n1Cc1ccco1,CID1248805,,0.0,,,0.0,,,,,,0.0,,,,,0.0,
O=C(NCCN1CCCC1=O)c1ccccc1,CID878665,,,,,,0.0,,,,,,,,,,,
c1ccc(N/C(=N/Cc2ccco2)c2ccccc2)cc1,CID2325306,0.0,,,0.0,,,,0.0,,,0.0,,,,,,
O=C(O)c1cccc(/N=N/N2CCCCCC2)c1,CID578057,,,,,,,,,,,,,,,0.0,,
COc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1CN1C(=O)c2ccccc2C1=O,CID658643,,,,,,,,,,,,,,0.0,,,
Cc1c(NC(=O)c2ccc(COc3ccc4ccccc4c3)o2)c(=O)n(-c2ccccc2)n1C,CID1222584,0.0,,0.0,,,,,0.0,,,,0.0,,,,,0.0
COc1ccnc(/N=C/NOCc2ccc(C)cc2)c1C#N,CID3762372,,,,,,0.0,,,,,,,,,0.0,,
CCOC(=O)N1CCN(S(=O)(=O)c2ccc3[nH]cc(C(=O)O)c(=O)c3c2)CC1,CID3243332,,,,,,,,,,,,,,,,0.0,
O=C(CN1C(=O)C(=O)c2ccccc21)NC1CCCCC1,CID2206685,,,,,,,,,0.0,,,,,,,,
CCOC(=O)c1c2n(c3ccc(O)cc13)CCCCC2,CID1258614,,,,0.0,,,,,,0.0,0.0,,0.0,,,,
CN1C(=O)C2(c3ccccc31)N(C)CC(c1ccccn1)C21SC(=S)N(Cc2ccco2)C1=O,CID666049,,,,,,0.0,,,0.0,,0.0,,,,,,
O=C(NC1CCCCC1)c1cc([N+](=O)[O-])n[nH]1,CID1084296,,,,,,,,,,,,,,0.0,,,
CN1CCN(C(=O)COc2ccc(-c3nc4ccccc4s3)cc2)CC1,CID2350207,,0.0,,,0.0,0.0,,,,,,,,,,,
CCOC(=O)c1sc(NC(=O)c2ccc3ncsc3c2)nc1C,CID4283428,,0.0,0.0,,0.0,,,,,,1.0,,,,,,
C1CCN(c2c3c(nc4nnnn24)CCCC3)CC1,CID1448314,,,,,,,,,,,,0.0,,,,,
C1CCc2c(nc3nnnn3c2NC2CCCC2)C1,CID1448315,,,,,,,,,,,,0.0,,,,,
CCC1(c2ccccc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O,CID4968846,,,,,,,,,,,,,,,0.0,,
NC(=O)C1(N2CCCCC2)CCN(C(=O)CSc2nc(=O)cc(C(F)(F)F)[nH]2)CC1,CID1289767,0.0,,,,0.0,,,,,0.0,,,,,,,
CCOc1ccc(C2Nc3ccc4ccccc4c3-c3c2c(=O)oc2ccccc32)cc1,CID2868128,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)Nc2ccccc2C(=O)NC(C(=O)Nc2cccc(C)c2)C(C)C)cc1,CID2868129,,,,,,0.0,,,,,,,,,,,
CCc1nnc(NC(=O)CSC2=NN/C(=C3/C=CC=CC3=O)N2CC)s1,CID5741725,,,,,,0.0,,,,,,,,,,,
O=C(CC1COc2ccccc2O1)NC1CCCCC1,CID2945212,,,,,,,,,,0.0,0.0,,,,,0.0,0.0
COc1ccc(CCN2C(=O)NC(=O)/C(=C\NC3CC3)C2=O)cc1OC,CID5389527,,,0.0,,,,,0.0,,,,,,,,,0.0
O=C(N/N=C/c1ccncc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1,CID16195509,,,,,,,,,,,,,,,0.0,,
c1ccc2c(c1)nc(-c1ccncc1)n1nnnc21,CID722140,,0.0,,0.0,,,,,,,,,,,,,
Cc1noc(C)c1C(=O)OCC(=O)c1ccc[nH]1,CID2535682,,,0.0,,,,,,,,,,,,,,
Cn1nc(CC(=O)Nc2cccc3ncccc23)c2ccccc2c1=O,CID646119,,,,,,,,,,,,,,0.0,,,
Cc1ccc(-n2nc(C(=O)c3ccccc3)n3c(=O)cc(-c4ccccc4)nc23)cc1,CID979996,,,,,,,,,,,,,,,0.0,,
Cc1ccc(CSCCNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1,CID3154518,,,,,,,,,,0.0,0.0,,,,0.0,,
O=C(NC1CCCCC1)C1CC(O)CN1C(=O)OCc1ccccc1,CID563092,,,,,,,,0.0,,,0.0,,,,,0.0,0.0
Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)NC2=C/C(=C3/Nc4ccccc4O3)C(=O)C=C2)o1,CID5346380,,,,,,0.0,,,,,,,,,,,
O=C(CSc1ncn(-c2ccccc2)n1)c1cccs1,CID877545,,,0.0,0.0,0.0,,0.0,,0.0,0.0,0.0,,,0.0,,,0.0
Cc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccccc3)c(=O)[nH]2)cc1C,CID2137859,,,,,,,,,,,,,,0.0,,,
O=C(CN1CCC2(CC1)OCCO2)c1ccc2cc[nH]c2c1,CID3243348,,,,,,,,,0.0,,,0.0,,,,,0.0
O=C(NC1CCCCC1)c1cc(Cl)nc2ccccc12,CID3615037,,,,,,,,,,,,,,0.0,,,
CCOC(=O)N1CCN(C(=O)C(C)n2nc(C)n3c(cc4sccc43)c2=O)CC1,CID3243343,,,,,,,,,,,,,,,,0.0,
Cc1c(NC(=O)CCC(=O)N2CCCCC2)c(=O)n(-c2ccccc2)n1C,CID657560,0.0,,,,,,0.0,0.0,,,0.0,0.0,,,,,
COc1ccc(-c2noc(N(C)CC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1,CID3238096,0.0,,,,0.0,,,,,,,,,,,,
O=C(Cn1cccc1)NC1CCCc2ccccc21,CID3238090,,,,0.0,,0.0,,,,0.0,,0.0,,,,0.0,
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCN3CCCCCC3)CC2)cc1,CID3238098,,,,,0.0,,,0.0,,,,,,,,,
O=C(CSc1ccsc1[N+](=O)[O-])N1CCN(c2ccccn2)CC1,CID16195393,,,,,,,,,,,,,,,0.0,,
O=C(OCC(=O)c1cccs1)c1ccc([N+](=O)[O-])o1,CID2345741,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)n(CCc2nc(-c3cc4ccccc4o3)cs2)n1,CID2370900,0.0,0.0,0.0,,0.0,0.0,,,,,,,,0.0,,,
Cn1c(N2CCN(c3ccccn3)CC2)nc2c1c(=O)n(Cc1ccccc1Cl)c(=O)n2C,CID659920,,,0.0,,,,,,,0.0,,,,,,,
CC12CN3CN(C1)CC(c1ccccc1)(C3)C2=O,CID608338,,,,,,,,,,0.0,,,,,,,
COc1ccc(-c2nnc(NC(=O)C3=COCCO3)o2)cc1,CID4649009,,,,,,,,,,,,,,0.0,,,
O=C(CN1CCCc2ccccc21)NC(=O)NCc1ccco1,CID2101672,0.0,,,0.0,0.0,,,,,,,,0.0,,,,
Cc1cc(C)[n+]2n1C(=O)C(c1ccccc1)=C2[O-],CID338560,,,,,,,,,,,,,,0.0,0.0,,
COc1ccccc1-c1nnc(SCCN2CCOCC2)n1-c1ccc(C)cc1,CID647244,0.0,,,,0.0,0.0,,0.0,0.0,,,,0.0,,,,0.0
Nc1cccc2c1C(=O)N(C(=O)c1ccc(S(=O)(=O)N3CCCCCC3)cc1)C2=O,CID2366561,,,0.0,,0.0,,,,0.0,0.0,0.0,,,,0.0,0.0,0.0
CCOc1ccc(S(=O)(=O)NCCC(=O)NC2=NCCS2)cc1,CID2110801,,,,,,,,,,0.0,,,,,,,
O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CCc2ccccc2C1,CID4877254,,,,,,,,,,,,,,,0.0,,
CN1CCN(S(=O)(=O)c2cccc(C(=O)NCc3ccc(Cl)cc3)c2)CC1,CID2480890,,,,,,,,,,,,,,,0.0,,
Cc1nc2ccc(NC(=O)N3CCOCC3)cc2s1,CID900732,,0.0,0.0,0.0,,,,,,0.0,0.0,,0.0,,,0.0,0.0
OCC1CCCN(Cc2ccc(-c3ccccc3)cc2)C1,CID2842874,0.0,,,,,,,,,,,,,,,,
CCCCN(CCCNC(=O)c1ccc2nc(N3CCOCC3)sc2c1)Cc1ccccc1,CID9550579,,,,,,,,,,,,0.0,,,,,
Cc1cccc(N2CCN(C(=O)C(C)n3nc(C)n4c(cc5occc54)c3=O)CC2)c1C,CID9550574,,,,,,0.0,,,,,,,,,,,
Cc1cc(=O)n2nc(N3CCC(C(=O)NC(C)c4ccccc4)CC3)sc2n1,CID9550575,,,,,,,,,,,0.0,,,,,,
COc1ccccc1/C=C/C=N/NC(=O)Cc1cccn1C,CID2060619,,,,,,,,,,,,,,,0.0,,
CN(C(=O)Cn1c(=O)n(CCCCC(=O)NC2CCCC2)c(=O)c2ccccc21)C1CCCCC1,CID3237188,0.0,,0.0,,,,,,0.0,,,0.0,,,,0.0,
O=C1N(CN2CCC3(CC2)OCCO3)c2ccccc2C12OCCCO2,CID3237186,,,,0.0,,,0.0,0.0,,,0.0,,0.0,,,,
CCOC(=O)N1CCN(c2nc(-c3ccc(OC)cc3)no2)CC1,CID3237185,,,,,,,,0.0,,0.0,,,,,,,0.0
CN1/C(=C\C(=O)COc2ccc3c(c2)OCO3)C(C)(C)c2ccccc21,CID2435404,0.0,,0.0,,,,,,,,,,,,,,
Cc1ccc(/C=N/NC(=O)CSc2nc3nc(C)cc(C)n3n2)cc1,CID1018095,,,,,,,,,,,,0.0,,,,,
O=C(COC(=O)c1ccccc1NC(=O)c1ccco1)NCCC1=CCCCC1,CID2362189,,,,0.0,,,,,0.0,,,,,,,,
Cc1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)o1,CID1009399,,0.0,,,0.0,,,,,,,,0.0,,,,0.0
CC1CC(C)CN(C(=O)C2CCCN(S(=O)(=O)c3cccc4nonc34)C2)C1,CID3245755,,,0.0,,,,,0.0,,,,,,,,,0.0
COCCN1Cc2cccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)c2C1=O,CID3245754,,,,,0.0,,,0.0,,,,,,,,,
CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCC3CCCN3CC)c21,CID3244001,,,,,,,,,,,,,,,0.0,,
O=C(C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1)N1CCOCC1,CID3244002,,,,,,,,,,,,,,,,,0.0
COc1ccc(NC(=O)c2ccc(NCCN3C(=O)CCC3=O)c([N+](=O)[O-])c2)cc1,CID2960759,,,,,,,,,,,,,,,0.0,,
CCn1cnc2sc(C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)c(C)c2c1=O,CID3244007,0.0,,,,0.0,,,0.0,,,0.0,,0.0,,,,0.0
O=C(COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)NC1CCCCC1,CID2998382,,,,,,,,,,,0.0,,,,,,0.0
CC1CCCCN1C(=O)CSc1nc(-c2ccccc2)cn1N,CID5217717,,,,,,,,,,,,,,0.0,,,
CC(c1ccccc1F)n1cc(C(=O)NCCc2ccco2)nn1,CID646592,,,,,,,,,,,,,,,,,0.0
COc1ccc(C(=O)Cn2nnc(-c3ccccc3NC(=O)C3CCCCC3)n2)cc1,CID1463733,,,,,,,,,,0.0,,0.0,,,,,
CCn1cc(C(=O)NCc2ccccn2)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21,CID658377,,,,,,,,,,,0.0,,,,,,
O=C(OCc1nc2ccccc2s1)c1cccc(S(=O)(=O)N2CCOCC2)c1,CID2364925,,,0.0,,0.0,,0.0,,,,0.0,,,,,,
c1ccc2sc(-c3ccc4c(c3)OCO4)nc2c1,CID781196,,,0.0,,0.0,0.0,,,,0.0,,,,,,,
COc1ccc(-c2nnn(Cc3nc(N)nc(N4CCCCC4)n3)n2)cc1,CID1272711,,,,,,,,,,,0.0,,,,,,
Cc1ccc2nc(SCc3nc(=O)c4ccccc4[nH]3)[nH]c2c1,CID2113176,,,,,,,,,,,,,,,0.0,,
COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NCCCN4CCCC4=O)c3n2)cc1,CID2168994,0.0,,0.0,,,,0.0,,,0.0,,,,,,,
Cc1cc(NC(=O)c2cc(C3CC3)on2)n(-c2ccccc2)n1,CID5307842,,0.0,,,,,,,,,,,,,,,
C=CCn1c(O)c(CN2CCOCC2)c(C)c(C#N)c1=O,CID647740,,0.0,,,,,,,,,,,0.0,,,,
Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)NCC3CCCO3)sc21,CID5307848,0.0,0.0,,,,0.0,,,,,,,,,,,
O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2cccs2)CC1,CID645480,0.0,,0.0,0.0,0.0,,,,,,0.0,,0.0,,,,
O=C1NC2C(NC(=O)N2C2CCCCC2)N1C1CCCCC1,CID645487,,,,,,,,0.0,,,0.0,,,,,,
CC1(C)Oc2ccc(C(=O)N3CCOCC3)cc2N(CC(=O)Nc2ccccc2)C1=O,CID645486,,0.0,0.0,,,,,,0.0,,,,,,,,
COc1cccc(CCc2nnc(CCC(=O)N3CCN(Cc4ccccn4)CC3)o2)c1,CID16187544,,,,,,,,,,,,,,,0.0,,
CN1CCN(C2=C(Cl)C(=O)N(C3CCCCC3)C2=O)CC1,CID645488,0.0,0.0,,0.0,,0.0,,,,,,,,,,0.0,0.0
O=C1CCCN1CCNC(=S)Nc1ccccc1,CID759774,,,,,,,,,,,,,,,0.0,,
CC1=CN2C(=N)/C(=C/c3ccc(C)o3)C(=O)N=C2S1,CID1842435,,,,,,,,,,,,,,0.0,,,
O=c1nc(CSc2nnc(NCCCN3CCOCC3)s2)[nH]c2cc(Cl)ccc12,CID2514505,,0.0,,,0.0,,,,,,,,,,,,
COc1ccc(C2=CC(=O)OC(C)(c3ccccc3)O2)cc1,CID2931438,,,,,,,,,,,,,,,0.0,,
CCOC(=O)N1CCN(Cc2oc(CO)cc(=O)c2O)CC1,CID675464,,0.0,,,0.0,,,,,,,,,,,,
FC(F)(F)c1cc(-c2ccco2)nc(NCc2cccnc2)n1,CID3240678,,0.0,,,0.0,,,,,,,,,,,,
O=C1CC(N2CCN(C/C=C/c3ccccc3)CC2)C(=O)N1CCc1ccccc1,CID5310863,,,,0.0,,0.0,0.0,,,,,0.0,,,,,
CC1=C(C(=O)OCc2ccccc2)C(c2ccc(N3CCOCC3)cc2)NC(=O)N1,CID2922060,0.0,,,,,,0.0,,,0.0,,0.0,,,,,0.0
CSc1nc(-c2ccccc2)[nH]c(=S)c1C(C)=O,CID756861,,,,,,0.0,,,,0.0,,,,0.0,0.0,,
Cc1ccc(-c2nnn(CC(=O)N3CCN(c4nc5ccccc5s4)CC3)n2)cc1,CID649095,,0.0,0.0,,0.0,,,,,,0.0,,0.0,,,0.0,
O=C(CSc1ccc(-c2ccco2)nn1)c1ccc(F)cc1,CID7207252,,,,,,,,,,,,,,,0.0,,
Cc1nn2c3ccccc3nc2n(Cc2ccccc2)c1=O,CID974023,,0.0,0.0,0.0,,,0.0,,,,,0.0,0.0,,,,
Cc1occc1C(=O)n1cnc2ccccc21,CID898598,,,0.0,,,,,,0.0,0.0,0.0,,0.0,,,0.0,
O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)NCCc1ccccc1,CID1040306,0.0,,0.0,,0.0,,,0.0,,,,,,,,,
O=C(Nc1nccs1)Oc1ccccc1,CID651148,,0.0,,,0.0,0.0,,0.0,,,,,,,,,
Nc1nonc1-c1noc(N2CCCCC2)n1,CID658581,,0.0,,0.0,,,,,,0.0,,,0.0,,0.0,,
Cn1c(COc2ccc(Cl)cc2)nnc1SCc1ncc(-c2ccccc2)o1,CID2567776,0.0,,0.0,,0.0,,,,,,,0.0,,,,,0.0
O=C(NCC1CCCC(CNC(=O)N2CCc3ccccc32)C1)N1CCc2ccccc21,CID4032625,,,,,,0.0,,,,,,,,,,,
O=c1c2[nH]c3ccccc3c2ncn1C1CCCCC1,CID658585,,,,,,,0.0,,,,,0.0,,,,0.0,0.0
Cc1sc2nc3n(c(=O)c2c1C)Cc1ccccc1-3,CID657968,,,,,,0.0,,,,,,,,,,,0.0
COc1ccc(/C=N/Nc2nnc(-c3ncc[nH]3)c3ccccc23)cc1,CID6822468,,,,,,,,,,0.0,,0.0,,,,,
CN(c1ccc(C(=O)NC2CC2)cc1)S(=O)(=O)c1ccccc1,CID882506,,0.0,,0.0,0.0,,0.0,0.0,,,,,0.0,,,0.0,
COc1[nH]c(/N=C/c2ccccc2)c(C#N)c1C#N,CID658588,,,,0.0,,0.0,,0.0,0.0,,0.0,,,0.0,,0.0,
CCCC(=O)C1=C(c2ccccc2)C(C#N)(C#N)C(C#N)=C1N,CID658589,,0.0,,0.0,,,0.0,,,,,,0.0,,,0.0,
COc1ccccc1-c1nnc(SCc2nc3ccccc3s2)n1C,CID2078590,,,,,,,,,,0.0,0.0,,,,,,
O=C(Nc1nc2cc3c(cc2s1)OCO3)C1=COCCO1,CID5310447,,,1.0,,,,,,,,,,,,,,
CC(n1cnnn1)C12CC3CC(CC(C3)C1)C2,CID660791,,0.0,0.0,,,,0.0,,,,,0.0,,,,,
N#Cc1ccc(-c2cccnc2)nc1SCC(=O)Nc1sc2c(c1C#N)CCC2,CID660795,0.0,0.0,0.0,0.0,,,0.0,,,,0.0,,,,,0.0,0.0
CCCc1ccc(/C=C2\C(=O)c3ccccc3C(=O)\C2=C(/O)OCC)cc1,CID5337202,,,,,,,,,,,,0.0,,,0.0,,
CC(NC(=O)c1ccco1)c1cccc2ccccc12,CID9549127,,,,,,,,,,,0.0,,,,,,
COc1ccc(C2=CC(=O)OC3(CCCCC3)O2)cc1,CID752492,,,0.0,,,,,,0.0,0.0,0.0,0.0,,,,,
CN(C)c1ccc(CN2CC=C(c3ccc(F)cc3)CC2)cc1,CID782253,,,,0.0,,,,,0.0,,,,0.0,,,,
COC(=O)CC1C(=O)NC2CCCCC2N1C(=O)c1ccccc1,CID2950925,,,,,0.0,,,,,0.0,,,0.0,,,,
Cc1ccc(NC(=S)c2nc3ccccc3[nH]2)cc1,CID886174,,,,,,0.0,,,,,,0.0,,,,,
CNC(=O)C1CC(=O)N=C(N/N=C(\C)c2cccs2)S1,CID3842595,,,,,,0.0,,,,,,,,,,,
Cn1c(CCN2CCCCC2)nc2cc(NC(=O)C3CCCCC3)ccc21,CID666149,,0.0,0.0,,,,,0.0,,,,,0.0,,,0.0,
COc1cc2c(cc1OC)-c1cc(OCc3cccnc3)nc(=O)n1CC2,CID666145,,,,,,,,0.0,,,,,0.0,,,,
COc1ccc2cc(CN(Cc3cccnc3)Cc3nnnn3Cc3ccccc3)c(=O)[nH]c2c1,CID653045,,,,,,,,,,0.0,,,,,,,0.0
Cc1ccnc(NC(=O)CCC(=O)N(CC(=O)NCc2ccccc2)c2ccc3c(c2)OCO3)c1,CID3208420,,,,,,,,,0.0,,0.0,0.0,,,,,
O=C(COC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1)NCc1ccco1,CID2999387,,,,,0.0,,,,,0.0,,,,,,,0.0
CC1(C)CC(=O)C(=CNCCN2CCN(C(=S)NC3CCCCC3)CC2)C(=O)C1,CID2885879,,,,,,,,,,,,,,0.0,,,
COc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=O)COC(=O)C12CC3CC(CC(C3)C1)C2,CID2999381,,,,,0.0,,,0.0,,0.0,,,,,,0.0,0.0
Cn1c(Cn2nnc3ccccc32)nnc1SCC(=O)N1c2ccccc2Sc2ccccc21,CID653042,,0.0,,0.0,,,,,,,0.0,,,,,0.0,0.0
CC(=O)Nc1ccc(OC(=O)CC2SC(=O)NC2=O)cc1,CID661448,,,,0.0,0.0,,,,,,,0.0,,,,0.0,
Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(c2nc3ccccc3s2)CC1,CID661444,0.0,0.0,,,0.0,,,,,,0.0,,,,,,0.0
O=C1CC(N2CCN(Cc3ccc4c(c3)OCO4)CC2)C(=O)N1Cc1ccc(N2CCCC2=O)cc1,CID661447,,,0.0,,,,0.0,,,,,,,0.0,,,0.0
c1ccc2[nH]c(SCc3cn4cccnc4n3)nc2c1,CID914320,,,,,,,,,,,,,,,0.0,,
N#Cc1ccc(-c2ccc(OCC(O)Cn3nnc4ccccc43)cc2)cc1,CID661442,,,,0.0,,,,,,0.0,0.0,0.0,,,0.0,,
CSc1nc2nc3c(c-2c2nc[nH]n12)CCCC3,CID662137,,0.0,,,,,,,,,,,,,,,
COc1ccc(C2c3[nH]c4ccccc4c3CCN2C(=O)c2cc3ncccn3n2)c(F)c1,CID16192118,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1c(NC(=O)c2ccccc2Br)sc2c1CCc1ccccc1-2,CID1553630,,,,,,,,,0.0,,,,,,,,
Cc1csc2nc(CNC(=O)C3CC=CCC3C(=O)O)cn12,CID5310233,0.0,,,,,,0.0,,,,,,,,,,
O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)N1CCN(c2ccccc2)CC1,CID5310231,,0.0,,0.0,,,,,,,,,,,,,
CC1=NN(c2ccccc2)C(=O)/C1=C\NN(C)c1ccccc1,CID6304176,,,,,,,,,,,,,,,0.0,,
CC(NC(c1ccccc1)c1ccccc1)C(=O)N1CCCc2ccccc21,CID15945236,,,,,,,,,,,,,,,0.0,,
CCCCc1ccc(NC(=O)COc2ccc(C(=O)Nc3ccccc3C)cc2)cc1,CID1642872,,,,,,,,,,,,,,,0.0,,
O=C(CSc1nc(-c2ccccc2)cs1)NCc1ccco1,CID1263321,,0.0,0.0,,0.0,,,,,0.0,0.0,,,0.0,0.0,,
Nc1ncnc2c1ncn2CCN1CCCCC1,CID908253,,0.0,,0.0,,,0.0,,,0.0,,,,,,,
Cc1[nH]c2ccccc2c1Cc1nnc(SCC(=O)NCc2ccco2)o1,CID3585809,0.0,,,,0.0,,,,,,,,,,,,
COc1ccc2c(Cl)c(C(=O)N/N=C/c3ccc4c(c3)OCO4)sc2c1,CID1369102,,,,,,,,,,,,,,,0.0,,
O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NCc1ccco1,CID1340407,,,,,0.0,,,,,0.0,,,0.0,,,,
Cc1ccc(Nc2nc(-c3c(C)nc4ncccn34)cs2)cc1,CID2898055,,,,,,0.0,,,,,,,,,,,
CCOC(=O)CN1C(=O)C(O)(CC(=O)c2ccc3c(c2)CCCC3)c2ccccc21,CID2898051,,,,,,,,,,,,,,0.0,,,
O=C(Nc1cccnc1)C1OCCc2ccccc21,CID2968236,,0.0,0.0,,,,,,,0.0,,,,,,,
CCOC(=O)c1cc2c(ccn2C)n1CC(=O)N1CCCC(C)C1,CID3229404,,,,,,,,,,,,0.0,,,,,
O=c1nc(-c2ccccc2)cn[nH]1,CID208296,,,,,,,,,,,,0.0,0.0,,,,
O=C(Cn1c(CC(=O)N2CCCC2)nc2ccccc21)NCc1ccccc1,CID648221,0.0,,,,,,,0.0,,,0.0,,,,,,0.0
COc1ccccc1Nc1ccc(C(=O)NC2CCCCC2)cn1,CID648229,,0.0,,,,,,,,,,,,,0.0,,
CN(C(=O)c1ccccn1)c1nnc(-c2ccncc2)s1,CID646680,,,,0.0,0.0,,,,,,,,,,,0.0,
c1cc(-c2nc3cc(Cc4ccc5oc(-c6ccncc6)nc5c4)ccc3o2)ccn1,CID646681,,,,,,,,,,,,,0.0,,,,
N#Cc1sc2nc(-c3ccccc3)cc(-c3ccco3)c2c1N,CID629074,0.0,0.0,,,,,0.0,,,,,,,,,,
CC1=C2C(=NC(=O)CC2c2ccccc2F)NN1,CID5771476,,,,,,,,,,0.0,,,,,,,
Cc1cc(NC(=O)CSc2nc3c(c(-c4cccnc4)c2C#N)CCC3)no1,CID1005238,,,0.0,,0.0,,,0.0,,,,,,,,0.0,
O=C(CN1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1)NCc1ccco1,CID644688,0.0,0.0,0.0,0.0,0.0,,,,,,,0.0,,,,,0.0
COc1ccc(OC)c(/C=N/NC(=O)c2csc3ccccc23)c1,CID831915,,,,,,0.0,,,,,,,,,,,
COc1ccc(S(=O)(=O)N2CCN(C(=O)NC3CCCCC3)CC2)cc1OC,CID1247264,,,0.0,0.0,0.0,,0.0,0.0,,,0.0,,,,0.0,0.0,
CCCCCn1c(SCc2ccncc2)nc2cc(C(=O)NCc3ccco3)ccc2c1=O,CID3242749,,0.0,,,,0.0,,,,,,,0.0,,,,0.0
NC(=O)CSc1nnc(-c2cc3ccccc3o2)n1Cc1ccccc1,CID2238230,,0.0,,,0.0,,,,,,0.0,,0.0,,,0.0,0.0
Cc1nnc(N(Cc2ccco2)C(=O)c2cccc(C#N)c2)s1,CID649576,,0.0,,,,,,,,,,,,,,0.0,
Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1C,CID2273796,,,,,,0.0,,,,,,,,,,,
COCCn1nnnc1C(c1ccc2ncccc2c1)N1CCN(c2ccccc2F)CC1,CID649579,,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cnc(C)cn2)c1C,CID2395273,,,0.0,,,,,0.0,,,,,,,,,
Cc1ccccc1Nc1nc(CSc2nnc(-c3ccoc3C)n2C)cs1,CID2525769,0.0,0.0,,,0.0,0.0,0.0,,,0.0,0.0,,0.0,,,,
CC(=O)C1=C(C)NC(SCC(=O)c2ccc(-c3ccccc3)cc2)=C(C#N)C1c1cccnc1,CID2862265,,,,,,,,,,0.0,,,,,,,
CC1CCCCN1C(=O)CSc1nc(C2CC2)nc2c1cnn2-c1ccccc1,CID651983,,,,,,,,,,,,,0.0,,,,
CC1CCCN(C(=O)c2ccc3nc[nH]c3c2)C1,CID2999763,,,0.0,,,,,,,,,,0.0,,,0.0,
CCOC(=O)C(C(C)=O)=C1SC2CS(=O)(=O)CC2S1,CID2999762,,,,,0.0,,,,,,,,,,,,
COC(=O)CCN(C(=O)C1C2CC3CC(C2)CC1C3)c1ccccn1,CID2999767,,,0.0,,,,,,,,0.0,,0.0,,,,0.0
COc1cc(C(=O)NCCc2ccc3c(c2)OCCO3)ccc1OCC(=O)N1CCOCC1,CID2999769,,,0.0,,,,,0.0,0.0,,,,,,,,
COc1ccc(C(CNC(=O)c2ccc(-n3cnnn3)cc2)N2CCOCC2)cc1,CID2999768,,0.0,,,,,,,,0.0,,,,,,,0.0
Nc1ccc(Cc2nc3c(ccc4ccccc43)[nH]2)cc1,CID1084685,,,,,,0.0,,,,,,,,,,,
CCCCc1ccc(-c2c(C#N)c(N)nc3c2CCCC3)s1,CID1912665,,,,,,0.0,,,,,,,,,,,
O=C(Nc1cccnc1)c1cnn2cccnc12,CID1253399,0.0,0.0,0.0,0.0,,,,,,,,0.0,,,0.0,,
Cc1nc(CNS(=O)(=O)c2cccnc2)cs1,CID3239290,,,,0.0,,,0.0,,0.0,0.0,,,,,,,
CN(C)/C=N/c1ncnc2c1cnn2-c1ccc(C(F)(F)F)cn1,CID3239293,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1c(NC(=O)CCC(=O)NCc2ccco2)sc2c1CCCC2,CID651229,,,,,0.0,,,,,,,,,,,0.0,
Cc1nc2nc(-c3ccco3)nn2c(C)c1Cl,CID935032,0.0,,,,,,,,,,,,,,,,
O=C(NC1CC2CCCC(C1)N2C(=O)N1CCCCC1)C1CCCCC1,CID651224,,0.0,,,0.0,0.0,,,,,,,0.0,,,,0.0
O=C1C=CC=C/C1=C\NNc1nccnc1Cl,CID6509206,,,,,,,,,,,0.0,,,,,,
CC(C)Oc1ccc(OCCNC2CCCC2)cc1,CID1825652,,,,,,,,,,,,,,0.0,,,
COC(=O)c1c(NC(=O)CC2NCCNC2=O)sc2c1CCCC2,CID2956908,,,,0.0,,,,,,,,,,,,,
O=C(CSc1n[nH]c(-c2ccncc2)n1)NCCc1ccccc1,CID2062369,,,,,,,,,,,0.0,,,,0.0,0.0,0.0
Cc1ccc(Cc2cnc(NC(=O)/C=C/c3ccc(C)o3)s2)cc1,CID874747,,,,,,0.0,,,,,,,,,,,
COC(=O)c1ccc(CO/N=C/c2ccc(OC)cc2)o1,CID2468599,,,,,,,,,,,,,,0.0,0.0,,
Cc1c(NC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)c(=O)n(-c2ccccc2)n1C,CID1009400,,,,,,0.0,,,,,,,,,,,
COc1cc(C(=O)Nc2nccs2)ccc1OCc1c(C)noc1C,CID2666526,0.0,,,,0.0,0.0,0.0,0.0,,,,,,0.0,,,
CCN(C(=O)CN1CCCc2ccccc21)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,CID2090314,,,0.0,,,,,,0.0,,,,,,,0.0,0.0
C=C(C)C1Cc2c(C)nn(-c3nc(C)cc(C)n3)c2C1,CID659419,,,0.0,0.0,,0.0,,0.0,0.0,,,0.0,,,,,
Cn1ccnc1C(O)(c1nnc(-c2ccccc2)o1)C(F)(F)F,CID2999562,0.0,,,,0.0,,,,,,,,,,,,0.0
CCOC(=O)C1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3CC)OC1C(=O)OCC,CID659410,,,,,,,0.0,,,,,,,,,,
O=C(c1n[nH]c(=O)c2ccccc12)N1CCOCC1,CID659417,,0.0,,,,,0.0,0.0,0.0,,0.0,,,,,,
c1coc(-c2nc3nc4ccccc4n3nc2-c2ccco2)c1,CID659416,,,,,,,,0.0,,,,,0.0,,,,
C/C(NCc1ccccc1)=C(\C#N)C(=O)NCc1ccccc1,CID870116,,,,,,,,,0.0,,,,,,,,
CCN1CCN(c2nc(-c3ccccn3)nc3ccccc23)CC1,CID936562,,,,,,,,,,0.0,,0.0,,,0.0,,
Cc1ccccc1N1CCN(C(=S)c2ccc(OCc3ccccc3)cc2)CC1,CID2888035,,,,,,0.0,,,,,,,,,,,
CC(=O)N1C(=O)/C(=C2\SC(=S)N(NC(=O)c3ccc(O)cc3)C2=O)c2ccccc21,CID1553734,,,,,,,,,,,,,,0.0,,,
Cc1cnn(C(=S)NCc2ccc(Cl)cc2)c1,CID970944,,0.0,,,0.0,,,,,,0.0,,,,,,0.0
COc1ccc(OC)c(C(=O)COC(=O)C2CC3CCCC(C2)C3=O)c1,CID2998806,,,0.0,,,,,,,,,,,,,,
Nc1nc(CSCc2ccccc2)nc(N2CCOCC2)n1,CID606837,,,,,,,,0.0,,,0.0,,0.0,,,,
Cc1cc(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)c(C)s1,CID3238507,,,,,0.0,,,,0.0,0.0,,,,,,,
CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)C2CC2C)c1C,CID2998809,,,0.0,,,,,,,,,,0.0,,,,
O=C(CCNS(=O)(=O)c1cccc2nonc12)NC1CCCc2ccccc21,CID3238501,,,0.0,,,,,,0.0,,,,,,,,
COc1ccc(NS(=O)(=O)c2cc(NC(=O)C3CC3)ccc2N2CCOCC2)cc1,CID4833920,,,,,,,,,,,,,,,0.0,,
COc1ccc(CNc2ccc(-c3ccc(OC)cc3)nn2)cc1,CID654590,0.0,0.0,,0.0,,,,,,,,0.0,,,0.0,,0.0
Cn1c(Cc2ccccc2)nnc1SCCC(=O)Nc1ccccc1,CID2237442,,,0.0,,0.0,,0.0,,,,0.0,,,,,0.0,0.0
CCn1c(SCC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)nc2ccccc2c1=O,CID1307181,,,,0.0,0.0,,0.0,,,,,,,,,0.0,
Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1,CID1087200,0.0,,0.0,0.0,0.0,,,,0.0,,0.0,,,,0.0,,
c1cc(CNc2ccc3c(c2)OCO3)ccn1,CID1087209,,,,0.0,,,0.0,,,,,0.0,,,,,
O=C1CCc2cc(S(=O)(=O)NC(C(=O)NCc3cccnc3)c3ccccc3)ccc2N1,CID5309789,,,0.0,,,,,0.0,,,,,,,,,
O=C(Nc1cc2c3c(c1)C1CCCC1CN3CC1CCCC21)c1ccccc1,CID3119630,,,,,,,,,,,,0.0,,,0.0,,
CC12C(=O)N(c3ccccn3)C(=O)C1C1C=CC2C1,CID5309780,,,,0.0,,,,,,0.0,,0.0,,,0.0,,
CCOC(=O)N1CCN(c2c(NCc3cccs3)c(=O)c2=O)CC1,CID5309783,,,,,,,0.0,0.0,,,,,,,,,
O=C(c1nnc(Cc2ccc(Cl)cc2)o1)N1CCc2ccccc2C1,CID5309782,0.0,,,0.0,,,,,,0.0,,,,,,0.0,
Cc1n[nH]c(C)c1S(=O)(=O)N(CC(=O)NC1CCCC1)c1ccc(C(C)C)cc1,CID5309787,,,,,,,,0.0,,,,,,,,,
COc1ccccc1CN(C(=O)c1ccco1)C(C(=O)NC1CCCC1)c1ccncc1,CID653488,0.0,,0.0,,0.0,,0.0,,0.0,,0.0,0.0,0.0,,,,0.0
O=C(CN1CCC(c2nc3ccccc3[nH]2)CC1)Nc1ccc2c(c1)OCO2,CID653489,0.0,,,0.0,,,,,0.0,,,,,,,,0.0
Cc1nc2ncnn2c(N2CCC(C(=O)NC3CCCC3)CC2)c1Cc1ccccc1,CID653485,,,,,,,,,,0.0,0.0,,,,,,
O=C(c1ccco1)N1CCN(C(c2ccccn2)c2nnnn2C2CCCC2)CC1,CID653481,,,,,,,,,,,,,,,,,0.0
CC1(C)NC(=O)N(CC(O)CNC23CC4CC(CC(C4)C2)C3)C1=O,CID2916375,,,,,,,,,,,0.0,,,,,0.0,
CN1CCN(S(=O)(=O)c2ccc(Sc3nc4ccccc4[nH]3)c3nsnc23)CC1,CID2236395,,0.0,,,0.0,,0.0,,,,,0.0,,,,0.0,
O=C(NCc1ccco1)c1nn2cccnc2c1Cl,CID2236397,,,,,,,,,,,,,,,0.0,,
O=S(=O)(c1ccccc1Cl)N1CCCC(c2nc(-c3cccnc3)no2)C1,CID650580,0.0,,0.0,0.0,0.0,,,,,,,,0.0,,,,
COC(=O)c1c(N)n(-c2ccc(N3CCOCC3)cc2)c2nc3ccccc3nc12,CID1853382,0.0,,0.0,0.0,,0.0,,0.0,,,,,,,,,0.0
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)C2c2cccs2)s1,CID2952328,,,0.0,,,,,,,,0.0,,,,,,
O=C(NCc1ccccn1)C(F)(F)C(F)(F)C(=O)NCc1ccccn1,CID2164897,,,,,,,,,0.0,,,,,,,,0.0
O=C1CC(C(=O)Nc2ccccc2)N=C(N2CCOCC2)N1,CID2953456,,0.0,0.0,,,,0.0,,,,,,0.0,,,,
O=C1C(=CNCCCN2CCOCC2)C(=O)c2ccccc21,CID2164370,,,,,0.0,,,0.0,,,,,,,,,
CS(=O)(=O)N(CCc1ccccc1)CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID2953451,,,,0.0,0.0,,,,,,0.0,,,,,0.0,
O=C(Oc1ccc(OC(=O)N2CCCCC2)cc1)N1CCCCC1,CID3151556,,,,,,,,,,,,,,,0.0,,
O=C(Nc1cnc2ccccc2c1)N1CCCCC1,CID3151558,,,,,,0.0,0.0,,,0.0,,,0.0,,,0.0,
Cc1ccc(C)c(N(C(=O)Cn2nnc(-c3cccs3)n2)C(C(=O)NC2CC2)c2ccc(C)o2)c1,CID646271,0.0,,,,,,,,,,0.0,,,,,0.0,
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC(C)C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1,CID5389688,,,,,,,,,,0.0,,,,,,,0.0
CC/C(NCc1ccc2c(c1)OCO2)=C1/C(=O)NC(=O)N(C2CCCCC2)C1=O,CID5389680,,,,,,,,,,,0.0,,,,,,
C1CN(CC2CCN(c3nc4nonc4nc3N3CCSCC3)CC2)CCO1,CID16191860,,,,,,,,,,,,,,0.0,,,
O=C1CCCN1Cc1ncnn1-c1ccccc1,CID645891,,0.0,0.0,,,,,,,,,,,,,0.0,
O=C(c1cc(F)ccc1F)C1CCCN(Cc2cccc(Cl)c2)C1,CID16189082,,,,,,,,,,,,,,0.0,,,
Cn1cccc1/C=N/NC(=O)c1ccc[n+]([O-])c1,CID1536396,,,,,,,,,,,,,,0.0,0.0,,
O=C(Nc1sc2c(c1C(=O)NCc1cccnc1)CCCC2)c1ccco1,CID1033230,,0.0,0.0,0.0,0.0,,,,,,0.0,,,,,,
c1ccc2c(c1)oc1c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)ncnc12,CID2952584,1.0,0.0,0.0,,,,,,,,0.0,0.0,,,,,0.0
Cc1ccc(C(=O)CNc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2)cc1,CID657488,0.0,0.0,,0.0,,0.0,0.0,0.0,,,,,,,,,0.0
O=C1CCc2cc(S(=O)(=O)N3CCC(C(=O)NC4CCCc5ccccc54)CC3)ccc2N1,CID5307180,,,,,,,,,,,,0.0,,,,,
Cc1ccc2oc(=O)c3cc(C(=O)NCCN4CCN(C)CC4)sc3c2c1,CID5307182,,,,0.0,,,,,,,,,,,,0.0,
O=C1c2ccccc2C(Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)N1c1ccccn1,CID5307184,0.0,,,,,,,0.0,,,,,,,,,
CCOC(=O)N1CCC(NC(=O)c2cc(C(=O)NC3CCCC3)ccc2CO)CC1,CID5307187,,,,,,,,0.0,,,,,,,,,
CCOC(=O)C1C(C#N)=C(N)OC(C)=C1c1ccncc1,CID657486,0.0,,0.0,0.0,,,,0.0,,,,,,0.0,,,
CCOC(=O)Cc1nn(CCc2ccccn2)c(=O)c2ccccc12,CID657487,,,,,,,,,,,,,0.0,,,,
O=C(CN1C(=O)CSc2ncccc21)N1CCOCC1,CID5309395,0.0,,,0.0,,,0.0,,0.0,,,,,,,0.0,
Cn1ncc2c(Nc3ccc(-c4ccccc4)cc3)ncnc21,CID648862,,0.0,,0.0,,,,0.0,,,,,,,,,
Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)NC2=CC(=O)/C(=C3\Nc4ccccc4O3)C=C2)o1,CID5346478,,,,,,0.0,,,,,,,,,,,
CC(=O)Oc1c(C(=O)c2nnc(C)o2)c(=O)n(C)c2ccccc12,CID825120,,,,,,,,,,,,,,,0.0,,
CCc1nnc(NCn2nc(C)cc2C)s1,CID566023,,,,,,,,,,0.0,0.0,,0.0,,,,
N#Cc1c(N)n(CCNC(=O)c2cccs2)c2nc3ccccc3nc12,CID659889,,0.0,0.0,,,,,,,0.0,,,,,0.0,0.0,
c1cncc(-c2nc(N3CCCCCC3)c3ccccc3n2)c1,CID659882,,0.0,0.0,,,,,,,,0.0,,,,0.0,,
Cc1ccc(S(=O)(=O)N2CCCC(C(=O)NCCc3ccc4c(c3)OCO4)C2)cc1,CID650909,,,,,0.0,,,,,,,,,,,0.0,0.0
Cc1ccc2nsnc2c1S(=O)(=O)N(CCO)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3,CID646304,,,,,0.0,,,,,,,,0.0,,,0.0,
Cc1nnc(SCC2CCCO2)n1-c1ccccc1,CID650900,,0.0,,,0.0,,0.0,,,,,,,0.0,0.0,0.0,0.0
CC1=C(SCCC#N)S/C(=C2\SC(C)=C(SCCC#N)S2)S1,CID3137831,,,,,1.0,,,,,,,,,,,,
C=C(C)C/N=c1\scc(C)n1/N=C/c1ccco1,CID2405503,,0.0,,,,,,,,,,,0.0,,,0.0,0.0
N#CC1=C(N)C(C#N)(C#N)C(c2ccc[nH]2)C2CCCC=C12,CID652026,,0.0,,,,,,0.0,,,,,,0.0,,,
Cc1ccc(-c2nnc(SCC(=O)CC(=O)Nc3ccccc3)n2-c2ccccc2)cc1,CID1151007,,,,,,0.0,,,,,,,,,,,
CCn1c(C)nc2cc(C(=O)NN/C=C3\C=CC(=O)C(O)=C3O)ccc21,CID6089713,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)Nc2ccc(N3CCN(c4ccc(OC)cc4)CC3)c(C#N)c2)cc1,CID3241486,0.0,,,,,,,,,,0.0,,,,,,0.0
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cccnc4)c3C)C2=O)c1,CID5348818,,,,,,0.0,,,,,,,,,,,
O=C(CCN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1nccs1,CID3241484,,,,0.0,,,,,,,,,,,,,0.0
Cc1nnc2ccc(N3CCC4(CC3)OCCO4)nn12,CID3241481,,0.0,,0.0,,,,0.0,,,,,0.0,,,,
O=c1nn[nH]c2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3,CID3241480,,0.0,,0.0,,,,0.0,,,,,,,,0.0,
CCc1nn(CC(=O)NCCCN2CCCC2=O)c(=O)c2cc3sccc3n12,CID5308959,,,0.0,,,,,0.0,,,,,0.0,,,,
O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/NCCCn1ccnc1,CID5389185,,,,,,,,,0.0,,,,,,,,
Cc1c(C(=O)N2CCCc3ccccc32)oc2ccc(S(=O)(=O)N3CCOCC3)cc12,CID3237051,,,,0.0,0.0,,,,,0.0,,,,,,0.0,
COc1ccccc1CNC(=O)c1nnc(Cc2ccc(Cl)cc2)o1,CID5308955,0.0,0.0,,,,,,,,,,,,,,0.0,
CCCCc1nc(SCC(=O)Nc2ncccn2)n[nH]1,CID2171386,,,,,,,,,,,,,,,0.0,,
c1csc(CSc2nc3ccccc3s2)c1,CID1535341,,,,,0.0,0.0,,,,0.0,,,,,,,
Cc1ccc(C(=O)NCCOc2cccc3cccnc23)cc1Cl,CID5296032,,,,,,,,,,,,,,,0.0,,
CCC1CCCCN1C(=O)CSc1nnc(-c2ccc3c(c2)OCCO3)o1,CID3238352,,,0.0,,0.0,0.0,,,,,,,0.0,,,,
O=C1CC2(CCCCC2)Oc2ccc(O)cc21,CID3243908,,,,,,,,0.0,,,,,0.0,,,0.0,
CN(C(=O)CCN1C(=O)C(C)(C)Nc2ccccc21)c1ccccc1,CID777095,0.0,,,,0.0,,,0.0,0.0,,,0.0,0.0,,,,0.0
C=CCN1C(=O)C2(C(C(=O)OCC)=C(N)Oc3ccccc32)C2=C1CCCC2=O,CID2969544,,,,,,,,0.0,,0.0,,,0.0,,,,
Cc1nc(C)c(C(=O)OCC(=O)N2CCN(c3ccccc3)CC2)s1,CID2541716,0.0,0.0,,,,,,0.0,,0.0,0.0,,,,,,0.0
O=C(NCCC1=CCCCC1)C1CC(=O)N(C2CCCCCC2)C1,CID3243904,0.0,,,,,,,0.0,,,,,,,,0.0,0.0
COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)c1ccc(-n2nc(C)cc2C)cc1,CID2604003,0.0,0.0,0.0,,,,,,0.0,0.0,0.0,0.0,,,,,
O=C(O)CCC1=C2c3ccccc3CCN2C(=O)CC1,CID1134635,,,,0.0,,,,,,,,,,,,,
O=C(N1CCN=C1SCc1cccnc1)C12CC3CC(CC(C3)C1)C2,CID3235845,0.0,,,0.0,0.0,,,,,,,,,,,0.0,0.0
Cc1nc2ccccc2c2oc(C(=O)NCC3CCCO3)cc12,CID3235846,,,,,0.0,,,,0.0,0.0,,,0.0,,,,
Cc1cc(N2CCN(c3ccccn3)CC2)n2nc(C)nc2n1,CID3235843,,0.0,,0.0,0.0,,,,,,,,,,,,
CC(C)(C)c1[nH]nc2c1C(c1ccccc1OC(=O)N1CCOCC1)C(C#N)=C(N)O2,CID3235848,,0.0,,,,,,,,,,,,,,0.0,0.0
CCOC(=O)C1CCCN(C(=O)c2cc3c(C)nc4ccccc4c3o2)C1,CID3243902,,,0.0,,0.0,,,,,,,,,,,,
CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)C2CCCCC2C(=O)O)cc1,CID2966620,,,,,,,0.0,,,,,,,,0.0,,
N#Cc1ccc(C(c2nnnn2C2CCCC2)N2CCC(Cc3ccccc3)CC2)cc1,CID3229174,,,,,,0.0,,,,,0.0,,,,,,
Cn1c(NCc2c(O)ccc3ccccc23)nc2ccccc21,CID787417,,,,,,,,,,,0.0,,,,,,
c1ccc(CCN2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1,CID1538702,,0.0,,,,,,,,,,,,,,,
c1ccc(-n2ncc3c(N4CCN(CCOc5cccc6ccccc56)CC4)ncnc32)cc1,CID1538701,,,,,,,,,,0.0,,,,,0.0,,
Cc1cc(=O)nc2n(C3CCCC3)[nH]c(C)c1-2,CID750977,,,,0.0,,,0.0,0.0,,,,,,,0.0,0.0,
O=C1CCN(Cc2nnnn2CC2CCCO2)c2ccccc2N1,CID645528,,0.0,,,,,,,,,,,,,,,
O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CCCC3)cc2)CC1,CID645529,,,0.0,,0.0,0.0,,,,,,,,,,,
Cn1c(=O)c2c(n3cnnc13)-c1ccccc1CC21CCCC1,CID818048,,,,,,,,,,,,0.0,,,,,
COc1ccc(C2(O)CCN(C(=O)NC3CCCCC3)CC2)cc1,CID645525,0.0,0.0,,0.0,,,,,0.0,,,,0.0,,,,
CCCc1cc2c(=O)c(-c3ccccn3)coc2cc1OC,CID740743,,,,,,0.0,,,0.0,0.0,,,0.0,0.0,,,
O=S(=O)(NCc1ccco1)c1cccc(S(=O)(=O)N2CCOCC2)c1,CID645521,,,,,0.0,,,,,,,,,,,,
Cc1nc2c(s1)sc1ccccc12,CID645523,,,,,,0.0,0.0,,,,,,,,,,
COc1ccc(C(C#N)N2N=C(C)CC2(C)C)cc1OC,CID3149918,,,,,,0.0,,,,,,,,,,,
Cc1cc(C)cc(S(=O)(=O)c2cnc3ccccc3n2)c1,CID3792610,,,,,,,,,,,,,,,0.0,,
O=C(CSc1nnc(C2COc3ccccc3O2)o1)NC1CCCCC1,CID5090790,0.0,,,,0.0,,,,,,,,,,,,
CCn1cc(/C=C(/C#N)S(=O)(=O)c2ccccc2)cn1,CID971404,,0.0,,0.0,,,,,,,,,,,,0.0,
O=C(CCSCCC(=O)NCC1CCCO1)NCC1CCCO1,CID2931572,,,,0.0,,,,,,,,0.0,0.0,,,,
O=C(O)CC/C(=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1nc2ccccc2s1,CID6519283,,,,,,,,,,,,,,,0.0,,
Nc1nc(NCc2ccco2)nc(N2CCCCC2)c1[N+](=O)[O-],CID3809812,,,,,,,,,,,,,,,0.0,,
Cn1c(=O)c2c(nc(SCCOc3ccc4ccc(=O)oc4c3)n2C)n(C)c1=O,CID3803875,,0.0,,0.0,,,,0.0,,,,,,,,,
O=C(CSc1n[nH]c(=O)n1C1CC1)Nc1cc(Cl)ccc1Oc1ccccc1,CID2126261,0.0,0.0,,0.0,0.0,0.0,,,,,0.0,0.0,,,,,
O=C(O)C1CC=CCC1C(=O)NC12CC3CC(CC(C3)C1)C2,CID3246773,,,0.0,0.0,,,,,,,,,,,,,
CCOC(=O)C(C(=O)Nc1nc2ccccc2s1)C1CCCCC1,CID2836852,,,,,,,,,0.0,,,0.0,,,,,
CC1CCN(S(=O)(=O)c2ccc3c(c2)c(=O)c(C(=O)NC2CCCC2)cn3C)CC1,CID3241800,,,,,0.0,,,,,,,,0.0,,,0.0,0.0
O=C(NC1CCCC1)c1ccc(CN2CCOCC2)cc1,CID786769,,,,,,,,,0.0,,,,,,,,
CCOc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2N2CCN(C)CC2)cc1,CID660617,0.0,,0.0,0.0,,,,,,,,,,,,0.0,0.0
CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NCCc2ccc(F)cc2)c1C,CID2124686,,0.0,,,,0.0,0.0,,,,0.0,,0.0,,,,
CC12CCC(C(=O)NCCCN3CCOCC3)(OC1=O)C2(C)C,CID663058,,,,,,0.0,0.0,,,,,,,,,,0.0
CC(C)c1cc(N2CCN(C(=O)c3ccco3)CC2)n2c(nc3ccccc32)c1C#N,CID1284208,0.0,,0.0,,,0.0,,,,,,,0.0,0.0,0.0,,
C(=N/n1cnnc1)\c1ccc(N2CCOCC2)s1,CID2348339,,0.0,,,,,,,,,0.0,,,,,0.0,
NC1=NON/C1=C(/N=O)N1CCN(CCO)CC1,CID5310737,,,,,,,,,,,,,,,0.0,,
O=C1N=c2ccccc2=C1C1=C(NO)CCCC1,CID5310732,,,,,,,,0.0,,,,,0.0,,,,
O=C(O)C1C2C=CC(C2)C1C(=O)NCc1ccco1,CID2932694,,,,,,,,,,,,,,,0.0,,
Cc1cc(=O)nc(SCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)[nH]1,CID2945723,0.0,,,0.0,,,,0.0,,,,,,,,,
COc1cc2c(C(=O)N3CCN(c4ccccc4)CC3)c(C)oc2cc1Br,CID662610,0.0,,,,,,0.0,,0.0,,0.0,,,,,0.0,0.0
Cc1nc2ccc(C(=O)O)cc2c2c1CC(C)S2,CID2861871,,,,,,,0.0,0.0,,,,,,,,,
O=S(=O)(c1ccccc1)c1nc(NCc2cccnc2)sc1Cl,CID2476382,,,,,,,,,,,,,,0.0,0.0,,
O=C(COC(=O)Cc1cccc(C(F)(F)F)c1)NCC1CCCO1,CID2998110,,,,,,,,,0.0,,,,,,,,0.0
CC1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NC2CC2)c1,CID2999316,0.0,0.0,0.0,,,,,0.0,,,0.0,,,,,,
CC(NC(=O)Cn1cnnn1)C12CC3CC(CC(C3)C1)C2,CID2999314,,0.0,,,,0.0,0.0,,,,,,0.0,,,,
CC1CC1C(=O)OCC(=O)NCc1ccccc1Cl,CID2999315,0.0,0.0,,0.0,,,0.0,,,,,0.0,,,,0.0,
O=C(CSc1nnc2ccccn12)Nc1ccccc1C(=O)NC1CC1,CID2622866,,0.0,,0.0,,,,0.0,,,,,0.0,,,,
COc1ccccc1NS(=O)(=O)c1ccc2oc(SC3CCOC3=O)nc2c1,CID2999313,,,,,0.0,,,,0.0,,,,,,,,0.0
CCOC(=O)c1c(-n2cccc2)sc2c1CCCC2=O,CID618382,,,,,,,,,,,,,,0.0,,,
Cc1c(/C=N/CCOCc2ccccc2)cnn1C,CID659658,,0.0,,,,0.0,,,,,,,0.0,,,,
CCCn1nc2cc(C(=O)NCc3ccccc3OC)ccc2c1OCC,CID11958698,,,,,,0.0,,,,,,,,,,,
Cc1cc(Br)ccc1NC(=O)CNC(=O)CN(C)Cc1nc(=O)c2ccccc2[nH]1,CID2698152,0.0,,,,,,,,0.0,,,,,,,0.0,0.0
COc1ccc(NC(=O)CCC2COc3ccccc3O2)c(OC)c1,CID2969023,,,,0.0,,,,,,,,,,,,0.0,
CCn1c(=O)c2c(n3cnnc13)-c1ccccc1CC21CCCCC1,CID767035,0.0,,,,,,,0.0,,,,,,,,,
O=C(c1ccco1)N1CCN(C(=O)C2CCCN(S(=O)(=O)Cc3ccccc3)C2)CC1,CID649838,,,,,,,,0.0,,,,,,,,,0.0
O=C(Cc1ccc(-c2ccccc2)cc1)NCCN1CCOCC1,CID649839,,,0.0,0.0,,,,,0.0,,,,0.0,,,,
CCSc1ccccc1C(=O)NC1=NC(=O)CC2C(=O)NCCN12,CID2982730,,,,,,,,,,,,,,0.0,,,
COc1ccc(/C=N/n2cnc3c([nH]c4ccc(Br)cc43)c2=O)cc1CN1CCOCC1,CID1923815,,,,,,,,,0.0,,0.0,,,,,,
CS(=O)(=O)N(Cc1ccc(C(=O)NCCSCc2ccco2)cc1)c1ccccc1,CID2289224,,,,,,0.0,,,,,0.0,,,,,,
c1ccc(Cn2c(CSc3nnnn3-c3ccccc3)nc3ccccc32)cc1,CID1105872,0.0,0.0,,,0.0,,,,,0.0,,0.0,,,0.0,,
CC(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C3Cc4ccccc4C(=O)O3)n2)cc1,CID2941986,,,0.0,,,,,0.0,0.0,,,,,,,0.0,0.0
O=C1NC(=S)NC(=O)C1C/C=C/c1ccccc1,CID1067804,,,,,,,,,,0.0,0.0,,,,0.0,,
O=C(CCCSc1ccccc1)Nc1nc(-c2ccco2)c(-c2ccco2)s1,CID2115313,,,,,,,,,,,,,,0.0,,,
O=C(COc1nnc2ccccn12)N1CCN(S(=O)(=O)c2ccccc2)CC1,CID2079313,,,,0.0,,,,0.0,,,,,,,,0.0,0.0
Cc1cc(C(=O)NCCCN2CCCC2=O)cs1,CID2225281,,0.0,0.0,,,,0.0,,,0.0,,,,,,,
CCNC(=O)NC1=NC(=O)C(C(C)C)O1,CID2998359,,,,0.0,,,0.0,0.0,,,,,,,,,
COC(=O)c1ccc(COC(=O)c2ccc(-n3cnnn3)cc2)o1,CID2570777,,0.0,,,,,,0.0,,,,,,0.0,,,
CC1=CC(c2ccccc2)N2NC(N3C(=O)c4ccccc4C3=O)=NC2=N1,CID5736977,,,0.0,,,,,,,,,,,,,0.0,
O=C(Cn1nnc2ccccc2c1=O)NC1CCCc2ccccc21,CID2998350,,,0.0,,0.0,,,,,,,,0.0,,,,
CC(C)CCNC(=O)NC(=O)COC(=O)C1=COCCO1,CID2998353,,,0.0,,0.0,,,0.0,,,,,0.0,,,,0.0
Oc1c(C(Nc2nc3ccccc3s2)c2ccco2)ccc2cccnc12,CID2998355,0.0,,0.0,,0.0,,0.0,,,,0.0,,0.0,,,,0.0
Fc1ccc(-c2csc3nnc(SCc4cccnc4)n23)cc1,CID647697,0.0,,,0.0,0.0,,,,,,,,,,,,
Cc1noc(C)c1S(=O)(=O)N(CC(=O)N1CCCCCC1)c1ccc(C(C)C)cc1,CID5308565,,,,,,,,,,,,,0.0,,,,
Cc1cc(=O)nc(SC/C=C/c2ccccc2)[nH]1,CID2139962,,,0.0,,0.0,,0.0,0.0,,,,,0.0,,,,0.0
O=C(Nc1ccc2ccccc2c1)N1CCN(c2ncccc2C(F)(F)F)CC1,CID3245125,0.0,,,,0.0,,,,,,,,,,,,
O=C(Oc1ccc(-c2nc(-c3ccccn3)no2)cc1)c1ccccc1,CID877917,,,,0.0,,,,0.0,,,,,,,,,
COc1ccccc1N1CCN(C(=O)Cn2nnc(-c3ccncc3)n2)CC1,CID644921,,0.0,,0.0,,,,,,0.0,,,,,,0.0,
O=C(CN(C(=O)CCC(=O)Nc1ccccn1)c1ccc2c(c1)OCCO2)NCCc1ccccc1,CID644920,,,,,,,,,0.0,,,,0.0,,,,
CCC(=O)Nc1nc(C)c(C(=O)N2CCCCC2)s1,CID644927,,0.0,0.0,0.0,,,0.0,0.0,,0.0,0.0,,,,,0.0,0.0
CCN1C(=O)c2cccc3c(NS(=O)(=O)c4ccc(NC(C)=O)cc4)ccc1c23,CID644925,,,,,,0.0,,0.0,0.0,0.0,0.0,,0.0,,,0.0,0.0
O=C1c2ccccc2CC1Sc1nnc(-c2ccccn2)o1,CID644928,0.0,0.0,,,0.0,0.0,,,,,,,0.0,,,,
CC(=O)OC12CC3CC(C1)C(=NO)C(C3)C2,CID657931,,,,,,,,0.0,,,,,,,,0.0,
CC(C)Sc1nc(N2CCOCC2)c2c3c(sc2n1)COC(C)(C)C3,CID2022059,,,,,,,,,,,,0.0,,,,,
CN(C(=O)c1ccc(C(=O)N(C)C2CCCCC2)cc1)C1CCCCC1,CID3113341,,,,,,,,,0.0,0.0,,,,,,,
CCCCC1CCC(C(=O)N2CCOCC2)CC1,CID1719874,,,,,,,,,,,,,,0.0,,,
CCC(NC1CC(C)(C)NC(C)(C)C1)=C1C(=O)CC(C)(C)CC1=O,CID768126,0.0,,0.0,,,0.0,,0.0,0.0,,,0.0,,,,,
CCn1cc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)c2ccc(C)nc21,CID653961,,,0.0,0.0,0.0,,,0.0,0.0,,0.0,,0.0,,,,
O=C1c2ccccc2C(=O)N1CC(O)COCc1ccccc1,CID342796,,,0.0,,,,,,,,,,,0.0,,,0.0
O=C1c2ccccc2C(O)N1CCN1CCOCC1,CID5309365,,,0.0,0.0,,,,0.0,,,,,,,,0.0,
Cn1c(N)c(C(=O)c2ccc(Oc3ccccc3)cc2)c(=O)n(C)c1=O,CID2373106,,,,,,,,,,,,,,,0.0,,
CCC1(CCCC(=O)c2ccc(F)cc2)C(=O)NC(=S)NC1=O,CID835242,,,,,,,,,,,,,,0.0,,,
CN(CC(=O)NCC1CCCO1)S(=O)(=O)c1cc(Cl)ccc1Cl,CID644774,,,,,,,,,,,,,,,,0.0,
CC1=CC(C)(C)Nc2ccc(OC(=O)CN3C(=O)CCC3=O)cc21,CID1749332,,,0.0,,,,0.0,0.0,,,,,0.0,,,,
Cc1oc(/N=C/c2ccc3c(c2)OCO3)c(C#N)c1C,CID759904,,,,,,0.0,,0.0,0.0,,,,,,0.0,0.0,
COc1ccc(C(=O)Nc2nnc(Cc3cccs3)s2)cc1OC,CID1272394,0.0,,0.0,,0.0,,,,0.0,,,,0.0,,,,
Cc1cc(NC(=O)CSc2nc(C3CCCCC3)nc3ccccc23)no1,CID649052,0.0,0.0,,,,,0.0,,,,0.0,,,,,0.0,0.0
Cc1cc2ncn(S(=O)(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2cc1C,CID649057,,,,0.0,0.0,,,,,,0.0,,,,,,0.0
CN1CCc2c(sc(/N=C/c3ccco3)c2C(N)=O)C1,CID658933,,,,0.0,0.0,,0.0,0.0,,,,,,,,,
CCOC(=O)CSc1nnc2c(n1)C1(C)CCC2C1(C)C,CID651180,,0.0,,,,,0.0,0.0,,,,,,,,,
CCOC(=O)C1=C(C)NC(=O)C(C#N)C1c1ccncc1,CID658935,,,,,,,,,,0.0,,,,,,,
O=C(COC(=O)c1ccccc1Nc1ccccc1)NCc1ccco1,CID2434169,,,0.0,,,0.0,,,0.0,,0.0,0.0,,,,,
CC(C)OC(=O)CC(=O)CSc1nc2c(c(-c3cccs3)c1C#N)CCC2,CID1934674,,,,,,,,,,,,,,0.0,0.0,,
O=c1c(Cl)c(N2CCOCC2)cnn1-c1nc2ccccc2[nH]1,CID2385961,,,,,,,,,,,,,,,0.0,,
O=c1cc(CO)oc(CN2CCCC2)c1O,CID764722,,,,,0.0,,,,,,,,0.0,,,,
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/NNC(=O)c1ccncc1,CID5601886,,,,,,,,,,,,,,,0.0,,
COCc1nnc(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)s1,CID1637781,,0.0,,,,,,,,,0.0,,,,,,
O=C(Nc1ccc(N2CCOCC2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1,CID644779,,,0.0,,,,,,,,,,0.0,,,,0.0
CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)cc1,CID2158903,0.0,,,,0.0,,,,,,,,,,,,
CCn1nc(C)c(C2C(C#N)=C(N)OC3=C2C(=O)CCC3)c1C,CID3712276,,,,,,,,,,,,,,,0.0,,
N#Cc1c(NC(=O)CCn2cnc3ccccc3c2=O)oc(-c2ccccc2)c1-c1ccccc1,CID2220148,0.0,,0.0,0.0,,,0.0,,,,0.0,,,,,,
CCOC(=O)c1c(NC(=O)Cn2c(=O)oc3ccccc32)oc(C)c1C(C)=O,CID2220141,,0.0,0.0,,,,,0.0,,,,,0.0,,0.0,0.0,
Cc1ccc(C)n1-c1ccc2c(c1)COC2=O,CID1266750,,,,,,0.0,,,0.0,0.0,,,0.0,,,,
CCn1cc(C(=O)NCC2CCCO2)c(=O)c2cc(S(=O)(=O)N(C)C3CCCCC3)ccc21,CID5307415,,0.0,0.0,0.0,,,,,0.0,,0.0,,,,,,
O=C(CCNC(=O)Cn1ccc2ccccc2c1=O)NCc1ccc2c(c1)OCO2,CID3236523,,,0.0,,,,,,,,,,,,,,
O=C(NCCCCCNC(=O)c1ccco1)c1ccco1,CID654658,0.0,,,,0.0,,,0.0,,,,,0.0,,,0.0,
Cc1ccc(C2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)o1,CID654659,,,,,0.0,,,,,,,,0.0,,,,
O=C(CSc1nnc(CNc2ccc(F)cc2)n1Cc1ccccc1)N1CCOCC1,CID654657,0.0,,0.0,,0.0,,0.0,0.0,,,0.0,,,,,,
Cc1ccc(S(=O)(=O)Cn2nnnc2C(C(C)C)N2CCc3ccccc3C2)cc1,CID654651,0.0,,,,,,0.0,,,,,,,,,,
O=C(COc1ccccc1)N(Cc1ccco1)c1ccc(O)cc1,CID975505,,,,,,,0.0,0.0,,0.0,,,,,,,
CCCCCCCC#Cc1ccccc1/C=N/S(=O)c1ccc(C)cc1,CID9549772,,,,,,,,,,,,,,0.0,,,
Cc1nonc1NC(=O)N1CCCC1,CID773246,,0.0,,,,,,0.0,0.0,,,0.0,0.0,,,,
O=C(NCC1CCCO1)c1ccc2c(=O)n(-c3ccc(F)cc3)c(=S)[nH]c2c1,CID4077604,,,,,,,,,,,,,,,0.0,,
Cc1ccc(NCC(=O)NNC2=NCCC2)c(C)c1,CID2317621,,,,,,,,,,,,,,,0.0,,
COc1ccc(Nc2nc(C)nc3sc4c(c23)CCC4)cc1O,CID2537842,,,,,,,,,,,,,,0.0,,,
CCN(CC)S(=O)(=O)c1ccc(-c2nnc3sc4cccc(C)c4n23)cc1,CID5309026,0.0,,0.0,,,,0.0,,,,,,,,,,
Cc1ccc(-c2nc(CS(=O)(=O)CC(=O)N3CC(C)CC(C)C3)c(C)o2)cc1,CID5309021,,,,,,,0.0,,,,,,0.0,,,,
O=C1c2cccnc2C(=O)N1CNc1ccc(Cl)cc1,CID2133493,,,,,,,,,,,,,,,0.0,,
O=C(Cn1cc2c(n1)CCCCC2)NCCCN1CCOCC1,CID5309028,,0.0,,,,,,,,,,,,,,,
O=C1NCCCc2nc(Oc3ccccc3)sc21,CID776318,,0.0,0.0,0.0,0.0,,0.0,0.0,,,,,,,0.0,,
O=C(COc1ccc(Br)cc1)N/N=C1\SCC(=O)N1c1ccc(F)cc1,CID3181592,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)nc(-n2nc(C)c(Oc3ccccc3O)c2C)n1,CID876620,,0.0,,0.0,,,,,,,,0.0,,,,,
CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(c3nnnn3CCN3CCOCC3)C(C)C)cc2c1,CID3181599,,,,,,,,,,,,,,0.0,,,
CCN1C(=O)/C(=C2\Nc3ccccc3S(=O)(=O)N2)C(=O)c2ccccc21,CID5447037,,0.0,,,,,,0.0,,0.0,,,,,,,
Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3cc(C)oc3C)CC2)cc1,CID2092218,,0.0,0.0,0.0,,,,,,,,,,,,,
CCC(Sc1ncccc1C(=O)OCCN1CCCC1=O)C(=O)NCc1ccco1,CID3243185,,,,,0.0,,0.0,0.0,,,,0.0,,,,0.0,0.0
C/C(CC(=O)NCCCN1CCOCC1)=N\NC(=O)COc1ccc(Cl)cc1,CID3107358,,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ncn[nH]1,CID1090691,,,0.0,,,,,,,,,,,,,,0.0
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccc2c(c1)OCO2,CID2841540,,,,,,0.0,,,,,,0.0,0.0,,,,0.0
Cc1ccsc1C(=O)C1CCCN(Cc2cc3ccccc3o2)C1,CID16189121,,,,,,,,,,,,,,,0.0,,
Cc1cc(NC(=O)CSc2n[nH]c(=O)[nH]c2=O)ccc1Br,CID2340376,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccccc1CN(c1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1)S(C)(=O)=O,CID1304148,,,,,,,,,,,,0.0,,,,,
COc1ccc2c(c1)CCc1c(C(=O)N3CC4(C)CC3CC(C)(C)C4)noc1-2,CID3243720,,,0.0,,0.0,,,0.0,,,,,0.0,,,,
CCCS(=O)(=O)N1CCCC(C(=O)N2CCN(c3ccccn3)CC2)C1,CID3243724,,0.0,,0.0,,0.0,,0.0,,,,,,,,,
CCN1CCN(c2ncc(C(=O)N3CCN(c4ccccc4OC)CC3)c3ccccc23)CC1,CID3243727,0.0,0.0,0.0,,,,,,,,,,,,,,
CC1CN(C(=O)c2scc3c2OCCO3)CC(C)O1,CID3242239,,,0.0,,,,,0.0,,,,,,,,,
Cc1ccc(-c2nnc(N3CCN(C(=O)c4ccco4)CC3)c3ccccc23)cc1,CID662369,0.0,,0.0,,,,,,,0.0,,,,0.0,0.0,,
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(C(=O)NCC4CCCO4)CC3)CC2)cc1,CID3242233,,,,,0.0,,,,,,,,,,,,0.0
CCOc1ccccc1C(=O)Nc1cc(C(=O)NCCc2ccccc2)ccc1Cl,CID1228378,,,,,,,,,,,,,,,0.0,,
Cc1cc(C(=O)COC(=O)c2n[nH]c3ccccc23)c(C)n1CC1CCCO1,CID3995585,,,,,,0.0,,,,,,,,,,,
O=C(COc1ccccc1)NCC(c1cccs1)N1CCOCC1,CID2998571,,,,,0.0,,,0.0,,,0.0,,,,,,
Cc1sc2ncnc(Sc3ccccc3C(=O)O)c2c1C,CID2384232,,,,,,,,,,,,,,0.0,0.0,,
c1coc(C/N=C2\N=C(NCc3ccco3)c3ccccc32)c1,CID2329625,0.0,,,,,,,,,,0.0,,,0.0,,0.0,
Clc1ccc2c(NNc3ccccc3Cl)ccnc2c1,CID901040,,,,,,,,,,,,0.0,,,,,
CCOC(=O)C1CCCN(c2c(N3CCN(C)CC3)c(=O)c2=O)C1,CID9550918,,,,,,,,,,,0.0,,,,,,
O=C1C=c2ccccc2=C/C1=C1/NN=C(SCC(=O)c2ccc(F)cc2)N1Cc1ccco1,CID5770673,,,,,,,,,,,,,0.0,,,0.0,
COc1ccc(CCNC2=C(Cl)C(=O)N(CCc3ccccc3)C2=O)cc1OC,CID1191626,,,,,,,,,,0.0,,,,,,,
O=C(NCc1ccc2c(c1)OCO2)C1CC(=O)N(C2CCCCCC2)C1,CID3241762,,,,0.0,,,,,0.0,0.0,,,,,,,0.0
CC1(C)CC(=O)c2cc(OCC(=O)NCCN3CCCc4ccccc43)ccc2O1,CID3241763,,,,,,0.0,,,,,,0.0,0.0,,,,0.0
CCn1c(C(=O)NCc2ccccn2)cc2sccc21,CID3237349,,0.0,,0.0,,,,0.0,,,,,,,,,0.0
Cc1ncoc1C(=O)Nc1nccs1,CID3241764,,,,,,,,,,0.0,,,,,,,
O=c1c2cc(N3CCOCC3)ccc2[nH]c(=S)n1CC1CCCO1,CID3241765,,0.0,,,,,0.0,,,0.0,,,,,,,
Cn1c(=O)cc(OCCCC(=O)NCc2ccco2)c2ccccc21,CID3237343,,0.0,,,,,,0.0,,,,,,,,0.0,0.0
Cc1noc(C)c1COC(=O)COc1cccc2c1OC(C)(C)C2,CID2379261,,,0.0,,,,0.0,,,,,,,,0.0,,
Cc1cc(C)n2nc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc2n1,CID2425859,,,,,,,,,,,,,,,0.0,,
O=C(NC1=NCCS1)c1cccc(N2C(=O)c3ccccc3C2=O)c1,CID2095524,,,,,,,,,,,,,,0.0,,,
Cc1cc(NC(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)no1,CID1259358,0.0,0.0,,,0.0,,0.0,,,,,,,,,,
O=C(NNc1cccc(Cl)n1)C1CC1,CID1481420,,,,,,,,,,,,,,,0.0,,
Cc1cc2ncn(C3CC(=O)N(Cc4ccc(N5CCCC5=O)cc4)C3=O)c2cc1C,CID4688869,0.0,,,,,,,,,,,,,,,,
CCOC(=O)N1CCN(C(=O)c2cn(CC)c3ccc(S(=O)(=O)N4CC(C)CC(C)C4)cc3c2=O)CC1,CID16187992,,,,,,,,,,,,,,,0.0,,
O=C(Cc1cc(=O)[nH]c(=O)[nH]1)N1CCN(C(=O)c2ccco2)CC1,CID2149958,,,,,,,,,,,,,,,,0.0,
Cc1c(N2C(=O)CS/C2=N\N=C\c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C,CID1378580,,,,,,0.0,,,,,,,,,,,
COc1ccc(OC)c(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)c1,CID1091563,,,0.0,,0.0,,,,,0.0,,,,,,,
Cc1ccccc1C(=O)c1c[nH]c(C(=O)N2CCN(c3ccccc3F)CC2)c1,CID1489210,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)nc(N(C#N)CN2C(=O)c3ccccc3C2=O)n1,CID657790,,,,,,,,0.0,,0.0,,,,,,,
CC(C)=C1C2CCC1C(C(=O)NCc1ccccc1)C2C(=O)O,CID2887451,,,,,,0.0,,,,0.0,,0.0,,,,,0.0
COc1cc(OC)c(C2N(C)c3ccccc3N2C)cc1OC,CID755172,,,,,,,,,,,,,0.0,,,,
COc1ccc(C2CNC(=O)C2)cc1OC1CCCC1,CID5092,,,,0.0,,,0.0,0.0,,,,,,,,,
O=C1C=C([O-])N2CCC[N+]3=C2N1CCC3,CID824964,,,,,,,,,,,,,,0.0,,,
Cn1c(=O)n(CCc2ccccc2)c(=O)c2c1ncn2Cc1ccccc1,CID657792,0.0,0.0,0.0,0.0,,,0.0,0.0,,,,,,,0.0,,
O=C1c2ccccc2C(=O)N1CCCOc1ccccc1,CID249759,,,,,,,0.0,,,,0.0,0.0,0.0,,0.0,,0.0
COc1cccc2cc(-c3ccnc(=S)[nH]3)oc12,CID1485427,,,,,,,,,,,,,,,0.0,,
CCCN1C(=O)C(O)(C2CC(=O)CC(C)(C)O2)c2ccccc21,CID2946339,,0.0,,,,,,,,,,,,,,,0.0
O=C1N/C(=C\c2ccc(N3CCOCC3)c(F)c2)C(=O)N1Cc1ccccc1,CID1725525,,,,,,,,,,,,0.0,,,,,
O=C(CCNS(=O)(=O)c1cccc2nonc12)N1CCN(c2cccc(Cl)c2)CC1,CID3241897,,0.0,,,0.0,,,,0.0,,0.0,0.0,0.0,,,,
CCOC(=O)c1sc(NC(=O)CSc2nc3c(c(-c4ccc(OC)cc4)c2C#N)CCCC3)c(C#N)c1C,CID1773541,,,,,,0.0,,,,0.0,0.0,,,,,,
O=C(Nc1cccc2ccccc12)N1CC=C(c2ccccc2)CC1,CID975262,,,,,,0.0,,,0.0,,,0.0,,,,,
Cc1nn(-c2cc(C)c3ccccc3n2)c2c1C1C(C2)C1(C)C,CID3133624,,,,,,,,,,0.0,,,,,,,
c1ccc(-c2csc3nnc(SCc4ccc5c(c4)OCO5)n23)cc1,CID2243202,0.0,,,,0.0,,,,,,,0.0,0.0,0.0,,,
COCCN1C(=O)/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)c(OC)c2)S/C1=N/c1ccccc1,CID6520117,,,,,,,,,,0.0,,,,,,,
O=C(Cn1nc(Cl)nc1Cl)c1cc2ccccc2oc1=O,CID666386,0.0,,,,,,,,,,,,0.0,,,,0.0
N#CC1=C(N)OC(c2ccccc2)=C(C#N)C1c1ccc2c(c1)OCO2,CID666385,,,,,,,,,,,,,,,,0.0,0.0
O=C(CC1C(=O)NCCN1Cc1c(F)cccc1Cl)NCCC1=CCCCC1,CID16190221,,,,,,,,,,,,,,,0.0,,
COc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2-c2ccccc2)C3=O)c(OC)c1,CID1362882,,,,,,0.0,,,,,,,,,,,
O=C(NCc1cccnc1)NC1(C(F)(F)F)Oc2ccccc2O1,CID756407,,,,,0.0,,0.0,,,,,,,,,,0.0
O=C1c2ccccc2C(=O)N1CCSc1n[nH]c(=S)s1,CID2765814,,,,,,,,,,0.0,,,,,,,
COc1ccc(C2NCCc3[nH]cnc32)cc1,CID256469,,,,,,,,,,,,,,,0.0,,
O=C(CN1C(=O)c2cccc3cccc1c23)N1CCc2ccccc2C1,CID936714,,0.0,,0.0,0.0,,,,,,,,,,,,
O=C(COc1ccc([N+](=O)[O-])cc1)NN=C1CCCC1,CID833120,,,,,,0.0,,,,,,,,0.0,,,
Cc1cc(NC(=O)CSc2nnc3c4c(C)c(C)sc4ncn23)no1,CID653615,0.0,,,0.0,,0.0,0.0,,,,,,,,,,0.0
O=C1c2cccc3c(N4CCCCC4)ccc(c23)C(=O)N1c1ccccn1,CID653616,0.0,,0.0,0.0,0.0,0.0,0.0,,,,,,,,,,
N#Cc1cc([N+](=O)[O-])c(-n2nnc3ccccc32)c([N+](=O)[O-])c1,CID1827281,,,,,,,,,,,,,,,0.0,,
c1nc(NCCN2CCOCC2)c2c3c(sc2n1)CCCCC3,CID666529,,0.0,,0.0,,,,0.0,,,,,,,,,
COc1cc(NC(=O)C23CC4CC(C2)CC(n2nnc(C)n2)(C4)C3)c(OC)cc1Cl,CID666525,0.0,,0.0,,,,,,,,,0.0,,,,,
Cc1nc2[nH]onc2c2nccc(=O)c12,CID589495,,0.0,0.0,0.0,,,,,,,,0.0,,,,,
CC1=C(C(N)=O)C(c2ccccc2)N2NC(c3cccs3)=NC2=N1,CID5307273,,,,,,,,,,,,,,,,0.0,
O=C(c1cc(=O)[nH]c2ccc(Br)cc12)N1CCC2(CC1)OCCO2,CID3239823,0.0,,,,,,,,0.0,,0.0,,,,,,0.0
CN(C(=O)c1ccc(=O)[nH]c1)C1(C(=O)NC2CCCCC2)CCCCC1,CID3239820,,,,,,,,,0.0,0.0,0.0,,,,,,0.0
CCC(C)(C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)CC1NC(=O)NC1=O,CID3239828,,,0.0,,,,,,,,,,,,,,
Clc1ccc(OCc2nnc(SCc3nnc(-c4ccccc4)o3)o2)c(Cl)c1,CID647703,0.0,,,,0.0,0.0,,,,,,,0.0,,,,
O=C1c2ccccc2OCOc2ccccc21,CID870548,,,,0.0,,0.0,0.0,,0.0,,,,,,,0.0,0.0
COc1ccc(S(=O)(=O)n2nc(OC(=O)c3ccncc3)cc2N)cc1,CID11834386,,,,,,,,,,,,,,,0.0,,
O=C(NCc1ccco1)c1cccc(Nc2nc3ccc(Br)cc3[nH]2)c1,CID11958559,,,,,,,,,,,,,,0.0,,,
COC(=O)c1c(CSc2ccc(Cl)cc2)noc1C(=O)NCc1ccco1,CID11958557,,,,,,0.0,,,,,,,,,,,
COC(=O)c1c(CCl)noc1C(=O)NCC1CCCO1,CID11958553,,,,,,,,,,,,0.0,,,,,
O=S1(=O)N=C(Oc2cccc3ccccc23)c2ccccc21,CID790225,,,,,,,,,,0.0,,,,0.0,,,
COc1cccc(OCc2nnc(SCC(=O)OCc3ccccc3)o2)c1,CID652964,,0.0,0.0,,0.0,,0.0,,,,0.0,,0.0,,,0.0,0.0
CN1/C(=C/C(=O)c2nc(S(C)(=O)=O)ncc2Cl)C(C)(C)c2ccccc21,CID2320547,,0.0,,0.0,0.0,0.0,,,,,,,,,,,0.0
COc1ccc(C2(NC(C)=O)CCN(C(=O)c3ccco3)CC2)cc1,CID652969,,,,0.0,,,0.0,0.0,0.0,,,,,,,,
CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccn3C)CC2)cc1,CID2496383,,,,,,,,0.0,,,,,,,,,
COc1ccc(N(C(=O)C2CCCCC2)C2C=CS(=O)(=O)C2)c(OC)c1,CID3241726,,,,,,,,0.0,,,,,,,0.0,,
CC(=O)c1c(C)[nH]c(C(=O)N2CCC3(CC2)OCCO3)c1C,CID3239856,,0.0,0.0,,,,,0.0,,,,,,,,,
Cc1c(NC(=O)/C(C#N)=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)c(=O)n(-c2ccccc2)n1C,CID1902927,,,,,,,,,,,,,,0.0,,,
Cc1cc(NC(=O)CCC(=O)N(Cc2ccco2)C(C)(C)C(=O)NC2CCCCC2)no1,CID3153749,,,,,,,,,0.0,,0.0,0.0,,,,,
O=C(O)C1C2C=CC(C2)C1C(=O)Nc1cccc(C(=O)N2CCCCC2)c1,CID3152432,,,,,,,,,,0.0,,,,,,,
Cc1ccc(S(=O)(=O)N2CCCC(C(=O)N3CCC4(CC3)OCCO4)C2)cc1,CID3237382,,,,,,,,,,,,,0.0,,,,
Cn1c(=O)n(CC(=O)N2CCOCC2)c2ccccc21,CID944346,,,0.0,,,,,0.0,0.0,,,,,,,,
C(=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1)\c1ccccn1,CID1187821,,,,,,0.0,,,,,,,,,,,
COc1ccc(C2CC(O)C(C)C(c3ccc(OC)cc3)N2)cc1,CID4371654,,,,,,0.0,,,,,,,,,,,
N#Cc1c(NC(=O)CSc2n[nH]c(N)n2)oc(-c2ccccc2)c1-c1ccccc1,CID2408666,,,,,,,,,,,0.0,,,,,,
CCc1cc2c(s1)N1Cc3ccccc3C(C(=O)c3cccc([N+](=O)[O-])c3)=C1NC2=O,CID5679437,,,,,,,,,,,,0.0,,,,,
C=CCn1c(=S)[nH]c2nc3c(cc2c1=O)COC(C)(C)C3,CID5389032,,,,,,,,0.0,,,,,,0.0,,0.0,
COc1ccc2c(c1)C1(C)CC(C)(C)N2C(=O)N1c1ccccc1,CID627978,0.0,,,,,,,,,,,,,,,,
CSCCC(NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1nc2ccccc2[nH]1,CID2092311,,,,,,,,,0.0,0.0,0.0,,,,,,
Cc1cc2c(c(=O)o1)C(C13C=CC(CC1)C3)C(C#N)=C(N)O2,CID657795,,,,0.0,,,,,,,,,,,,,0.0
O=C1c2ccccc2-c2onc3ccc(NCCCn4ccnc4)c1c23,CID663844,0.0,0.0,0.0,,,,,,,,,,0.0,0.0,0.0,,
CCOC(=O)c1oc2c(C)c(O)ccc2c(=O)c1-c1nncn1-c1ccccc1,CID5649178,,,,,,,0.0,,,,,,,,,,
Cc1cc(C)n2c(Br)c(CN3CC4CC(C3)c3cccc(=O)n3C4)nc2n1,CID4621635,0.0,,,,,,,,0.0,,,,,,,0.0,
COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1,CID1351514,,,,,,,,,,,,0.0,,,,,
O=C(OCc1nc2ccccc2s1)c1cnccn1,CID2364899,,0.0,,0.0,,,,,,,0.0,,,,,,
CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)C2CCCC2)cc1,CID1252680,,,,,,0.0,,,,,,,,,,,
COc1ccc(OCC(=O)NNC(=O)C(=O)N2CCCC2)cc1,CID1908175,,,,,,,,,,,,,,,0.0,,
COc1ccc2ccc(Oc3ncccn3)cc2c1,CID2608253,0.0,,,,,,,0.0,0.0,,,,0.0,,,,
O=C1NC(=O)C(=Cc2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)N1,CID2851007,,,,,,,,,,,,,,,0.0,,
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN1CCc2ccccc2C1,CID2361958,,,0.0,,,,,,,,,,,,,,0.0
COc1ccc(CCN2CC(C#N)=C3c4cc(OC)c(OC)cc4CCN3C2)cc1OC,CID1084981,,,,0.0,0.0,,,0.0,,,,,,,,,
COc1cc2c(cc1OC)C1=C(C#N)CN(C3CCCCC3)CN1CC2,CID1084980,,,,,0.0,0.0,,,,,,0.0,0.0,,,,
O=C(c1cccc(S(=O)(=O)N2CCCCCC2)c1)N1CCN(c2ccccc2)CC1,CID2142234,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)C2C(=O)N(C)C3(C)CC2c2ccccc2O3)cc1C,CID12006050,,,,,,,,,,,,,,0.0,,,
O=S(=O)(c1ccccc1)c1ccc(NCc2ccco2)cc1,CID732215,,,0.0,,0.0,,0.0,0.0,,0.0,0.0,,,0.0,,,
O=C(Cc1cccc2ccccc12)NN1C(=O)CSC1=S,CID1536746,,,,,,,,,,,,,,0.0,,,
COc1ccc2c(-c3ccccc3)cc3nnnn3c2c1,CID732211,,0.0,,0.0,,,,,,,,,0.0,,0.0,,0.0
CCn1c(SCC(=O)NCc2ccco2)nc2c(c1=O)SC(C)C2,CID3238900,0.0,,0.0,0.0,0.0,,,,,0.0,0.0,,0.0,,,,
CCc1c(C)sc(NC(=O)c2cc(-c3cc(OC)ccc3OC)on2)c1C#N,CID3238907,0.0,,0.0,,0.0,,,0.0,,,,,,,,0.0,0.0
S=C1SCN(CCN2CCOCC2)CN1Cc1ccccc1,CID3238908,,,,,0.0,,0.0,,0.0,0.0,0.0,,,,,,
Cc1ccc2nc(N3CCN(C(=O)c4cccs4)CC3)c(C#N)cc2c1,CID648602,0.0,,0.0,,,0.0,0.0,,,,,,,,,0.0,
CCOC(=O)C(C)C1(O)c2ccccc2-c2ncccc21,CID648603,,,0.0,,,,0.0,,,,,,,,,,0.0
CCN1CCN(Cc2nnnn2C(C)(C)C)CC1,CID648606,,,0.0,,,,,,,,,,,,,,
COc1ccc(CCNC(=O)CN2C(=O)NC(C)(c3ccc([N+](=O)[O-])cc3)C2=O)cc1,CID3275669,,,,,,,,,,,,,,,0.0,,
O=C(CNc1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCC1,CID11957210,,,,,,,,,,,,0.0,,,,,
CCOc1ccc(-c2cc(CCCC(=O)NCc3ccc(C)cc3)no2)cc1,CID11957211,,,,,,0.0,,,,,,,,0.0,,,
CCOC(=O)C1CCN(C(=O)c2oc3ccc(S(=O)(=O)N4CCCCCC4)cc3c2C)CC1,CID3236218,,,,,,,,,,0.0,,,,,,,
O=C(c1cc2ccccc2oc1=O)N(Cc1cccs1)C1CCS(=O)(=O)C1,CID2946800,,,,,0.0,,0.0,,0.0,0.0,0.0,,,,,,
CN(C)S(=O)(=O)c1ccc2c(c1)nc1n2CCC1,CID745879,,,,,,,,,,,,0.0,,,,,
Cc1ccc(C(=C2C3C=CC2C2C(=O)NC(=O)C32)c2ccc(C)cc2)cc1,CID2957057,,,,,,,,,,0.0,,,,,,,
CN(C)/C=N/c1nonc1-c1ncn[nH]1,CID557765,,0.0,,0.0,,,0.0,,,,,,,,0.0,,
CS(=O)(=O)c1ccc2nc(NC(=O)c3cc4ccccc4o3)sc2c1,CID1075318,,,,,,,,,,,,,,,0.0,,
O=C(NC1CCCCC1)NC1CC2CCCC(C1)N2C1CCCC1,CID3218000,,,,,,,,,,,0.0,,,,,,
CSc1n[nH]c(NCc2cccs2)n1,CID973008,,,,0.0,,,0.0,,,,,,,,,,
O=c1c2ccccc2nc2ccc(NCc3ccco3)nn12,CID3243853,,0.0,,,,,,,,0.0,,,,,,,
O=C1c2cccnc2C(O)N1C1CCCCC1,CID3243857,0.0,,,,,0.0,,,,,,,,,,,
Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)CC1,CID3243854,,,,,,,,0.0,,,,,,,,,
Cc1ccc(N2C(=O)N(CC(=O)C(C)(C)C)c3ccccc3S2(=O)=O)cc1,CID2151535,,,,,,,,,,,,,,0.0,,,
Cc1cc2nc(-c3ccc(SCC(=O)N4CCOCC4)nc3)[nH]c2cc1C,CID645374,,0.0,,,,,,0.0,,,,0.0,,,,,0.0
COc1ccc(C2(O)CC3CCC(C2)N3c2nc(C)cc(C)c2C#N)cc1,CID645372,,0.0,0.0,,0.0,,,,,,,,0.0,,,,
CCOC1OC(C(=O)N2CCCCCCC2)=CC(c2csc3ccccc23)C1CCCO,CID16195884,,,,,,,,,,,,,,,0.0,,
Cc1ccccc1OCC1CN(CN2CCOCC2)C(=O)O1,CID645379,,,,0.0,,,0.0,,,,0.0,,,,,,
COc1ccc2c(CC(=O)OCC(=O)Nc3ccc4c(c3)OCO4)coc2c1,CID2128234,,,0.0,,,,,0.0,,,,,,,,,
CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccncc4)ccc1c23,CID3110925,,,,,,,,,,,0.0,,,,,,
COc1ccc(/C=C/C(=O)NC(=S)NCCc2ccc(OC)c(OC)c2)cc1,CID2248756,,,,,,0.0,,,,,,,,,0.0,,
CN1CCN(CCCCOc2ccc(F)cc2)CC1,CID658988,,,,0.0,,0.0,,,,,,,,0.0,,,
O=C(CCn1c2c(c3ccccc31)CCCC2)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1,CID4422714,,,,,,,,,,,,,,,0.0,,
CCc1nc2ccccc2c(C(=O)OCC(=O)NCCCN2CCCC2=O)c1C,CID2998433,,,,,,,,,,,,,0.0,,,,
COc1ccc(N2C(=O)CSC(c3ccccc3)C2=O)cc1,CID3793571,,,,,,,,,,,,,,0.0,,,
O=S(NCc1ccccc1)C12CC3CC(CC(C3)C1)C2,CID584908,0.0,,,,0.0,,0.0,,,,,,,,,,
CC(NC(=S)NCCCN1CCOCC1)C12CC3CC(CC(C3)C1)C2,CID4969312,,,,,,,,,,,,,,,0.0,,
Cc1nn(-c2ccccc2)c2sc(-c3nnc(SCC(=O)O)o3)cc12,CID1171898,,,,,,0.0,,,,,0.0,,,,,,
COc1ccc(C(=O)COC(=O)CCC(=O)c2cccs2)cc1,CID2352477,,,,,,,,,,,,,,0.0,0.0,,
Cc1nnc(NC(=O)c2oc3c(ccc4ccccc43)c2C)s1,CID2128498,,,,,,0.0,,,,,0.0,,,,,,
Cn1c(CSCc2ccc(F)cc2)nnc1SCC(=O)N1CCN(c2ccccc2)CC1,CID1022007,,,,,,0.0,,,,,,,,,,,
O=C(Cn1c(=O)n(CCCC(=O)NC2CCCC2)c(=O)c2ccccc21)NCCC1=CCCCC1,CID3237811,,,,,,,,,,,0.0,,,,,,
Cc1cc(C)nc(NC2=NCCN2C(=O)Nc2ccc(Cl)c(Cl)c2)n1,CID1214046,0.0,,,,,,,,,,,,,,,,
O=C(NC1CC2CCCC(C1)N2C(=O)NCc1ccccc1)C1CC1,CID653821,,0.0,0.0,,,,,,,,,,,,,,
COc1ccc2nc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)sc2c1,CID2276435,,,,,,,,,,,,,,,0.0,,
CC1(C)CC(=O)C(=CNCCN2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)C(=O)C1,CID658165,,,0.0,,,,,,,,,,,,,,0.0
CCOC(=O)c1c(NCc2ccc3c(c2)OCO3)c2ccccc2[nH]c1=O,CID658162,,,,,,,0.0,,0.0,,0.0,,0.0,,,,
CC1(C)Cc2[nH]c(=S)c(C#N)cc2CO1,CID658160,,0.0,,0.0,,,,,,0.0,,,,,,,
O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ncn[nH]1,CID977203,,0.0,,0.0,,,0.0,,,,0.0,,,,0.0,0.0,0.0
Cc1sc2ncn(CCn3cnc4sc(C)c(C)c4c3=O)c(=O)c2c1C,CID1093547,0.0,0.0,,0.0,0.0,,0.0,,,0.0,,,,,,,
C=CCSc1nnc(-c2cnn(-c3ccccc3)c2-n2cccc2)n1C,CID2767891,,,,,,,,,,,0.0,,,,,,
O=C(CSc1nc2n(-c3ccc(F)cc3)[nH]cc-2c(=O)n1)N1CCCCCC1,CID2051863,0.0,0.0,,,0.0,,,,,,,,0.0,,,,
O=S(=O)(c1cccc2cccnc12)N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID1281732,0.0,,,,0.0,0.0,0.0,0.0,,,0.0,,0.0,,,0.0,0.0
CSc1ccccc1C(=O)C1CCCN(C(=O)CCc2cccnc2)C1,CID16188731,,,,,,,,,,,,,,,0.0,,
CC(C)(C)c1ccc(C(=O)NCC(=O)OCN2C(=O)c3ccccc3C2=O)cc1,CID3716943,,,,,,,,,,,,0.0,,,,,
O=C(COC(=O)C1CC1)Nc1ccc2c(c1)OCO2,CID2086142,,,,,,,,,,,,,,0.0,,,
O=C(CN1CCOCC1)Nc1ccc(Br)cn1,CID1237386,0.0,,,,,,,,0.0,,,0.0,,,,0.0,
CCOC(=O)c1sc2nc(N3CCCC3)c3c(c2c1N)CC(C)(C)OC3,CID1387525,,,,,0.0,,,0.0,,,,,,,,,
CCNc1nc(C)c2cc(Br)c(=O)n(CC)c2n1,CID886207,0.0,,,,,,,,0.0,,,,,,,,0.0
c1ccc2c(c1)OCC(CNc1ncnc3nc[nH]c13)O2,CID4391746,,0.0,,,,,,0.0,,,,,,,,,
Cc1cc(C)c2c(n1)sc1c(N3CCN(CCO)CC3)ncnc12,CID940717,,0.0,,0.0,,,0.0,,,,0.0,,0.0,,,,
OCCC1CN(Cc2nc3ccccc3[nH]2)CCN1C1CCCC1,CID16189860,,,,,,,,,,,,,,,0.0,,
O=C(COC(=O)C1CCCCC1)Nc1ccc(N2CCCCC2)cc1,CID2351114,,,0.0,,,0.0,,,0.0,,,,0.0,0.0,,,0.0
COc1ccc2c(c1)c(=O)cc(C)n2CC(=O)NCc1ccco1,CID661771,,,,,,,,,0.0,,,0.0,0.0,,,0.0,
O=C(C1CCN(S(=O)(=O)c2cnc[nH]2)CC1)N1CCc2ccccc2C1,CID3243024,,,,0.0,,,0.0,,0.0,,,,,,,,0.0
COc1ccc(/C=N/NC(=O)Nc2nonc2N)cc1,CID754954,,,,,,,,,0.0,0.0,,,,,,,
Cc1cc(C(=S)N2CCOCC2)c(C)n1C1CC1,CID754956,,,,,,0.0,,,,,0.0,,,,,,
O=C(NC1CC1)C1CCCN1S(=O)(=O)c1ccc2ccccc2c1,CID2921073,,,0.0,,,,,0.0,,0.0,,,,,,,
Cc1nc2c(-c3ccc(F)cc3)c(C)nn2c(C)c1CCC(=O)N1CCN(c2ccccc2)CC1,CID9550745,,,,,,0.0,,,,,,,,,,,
O=C(NCCC1=CCCCC1)c1ccc(Br)o1,CID729887,0.0,,,,,,,,,,,,,,,,0.0
Cc1ccc(OC(=O)CCC(=O)N2CCc3ccccc32)cc1,CID729884,,0.0,,,,,0.0,0.0,,,,,0.0,0.0,,,
COc1cccc(C2=NC3=NC(C)=C(C(N)=O)C(c4ccc5c(c4)OCO5)N3N2)c1,CID5771467,,,,,,,,,,,,,0.0,,,,
Nc1nc(NC(=O)/C=C/c2ccccc2)nn1-c1ccccc1,CID802628,,,,,,,,,,,,,,0.0,,,
CN(C)c1ccc(C2=N/C(=C3\C=CC=CC3=O)ON2)cc1,CID5771469,,0.0,,,,,,,,,,,,,,,
CCOc1ccccc1C1C(C#N)=C(N)N=C2ONC(c3ccccc3)=C21,CID5771468,,,,,,,,,,0.0,1.0,,0.0,,0.0,,
c1ccc(Cn2c(NCc3ccco3)nc3ccccc32)cc1,CID667146,0.0,0.0,,,,,,,,,,0.0,0.0,,0.0,,0.0
c1ccc(COc2ccc(CNn3cnnc3)cc2)cc1,CID891987,0.0,,,,,,0.0,,,,,0.0,,,,,
CCOC(=O)c1sc(=S)n(-c2ccc3c(c2)OCO3)c1N,CID3236739,,,,,,,0.0,,,0.0,,,,,,,
Cc1ccc2cc(C#N)c(SCC(=O)N3CCCc4ccccc43)nc2c1C,CID3207697,,,,,,0.0,,,,,,,,,,,
Cc1cc(NC(=O)C2C3C(=O)N(CCC(C)C)C(C(=O)NCc4ccccc4)C34C=CC2(C)O4)no1,CID656116,,,,,,,,,,,,0.0,,,,,
Cc1ccc(C)c(NC(=O)COc2cccc3c2CCN(Cc2ccccc2)C3=O)c1,CID2152011,,,,,,,,,,,,,,0.0,,,
CC(C)C(NC(=O)C1CCCCC1)C(=O)N1CCN(c2ccc(F)cc2)CC1,CID3236734,,,0.0,,,0.0,0.0,,,,,0.0,0.0,,,,
O=C(NC1CCCCC1)C(c1ccncc1)N(CC1CCCO1)C(=O)C(F)(F)F,CID656042,0.0,,,,0.0,,,,,,,,,,,,
Cc1ccc(N(CCCCN2C(=O)c3ccccc3C2=O)C(=O)c2cccc([N+](=O)[O-])c2)cc1,CID2299468,,,,,,0.0,,,,,,0.0,,,,,
OC1(c2ccccc2F)CC2CCC(C1)N2CCN1CCOCC1,CID656041,,,,,,,,,,,,,,,0.0,,
COc1ccc(N2C(=O)CCC(C(=O)NCc3ccccn3)C2c2ccc(OC)c(OC)c2)cc1,CID3237461,,0.0,0.0,,0.0,,,,,,,,,,,,
COc1ccc2cc3cc(C(=O)Nc4ccccc4N4CCN(C)CC4)oc3nc2c1,CID3237462,0.0,0.0,0.0,,,,,,0.0,,0.0,0.0,,,,,0.0
O=C(Cn1cccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1,CID3237463,0.0,,,,,,0.0,,,,,,,,,,0.0
Cc1onc(-c2ccncc2)c1C(=O)O,CID656040,,,,0.0,,,,,,,,,0.0,,,,
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/n2cnnc2)cc1OC,CID2371956,,0.0,,,,,,,,,,,,,0.0,,
S=C(NCc1ccc(Cl)cc1)NC12CC3CC(CC(C3)C1)C2,CID2966258,,,,,,,,,,,,0.0,,,,,
CCOC(=O)C1CCCN(C(=O)CCn2nc(-c3ccccc3)ccc2=O)C1,CID3245090,,,,,0.0,,,0.0,,,0.0,0.0,,,,0.0,
O=C(C1CC(=O)N(C2CCCCC2)C1)N1CCC2(CC1)OCCO2,CID3245096,,,,,,,0.0,,,,,,,,,0.0,
CC(=O)N1CCc2ccc(C(=O)CN3CCN(c4cccc(C)c4C)CC3)cc21,CID3244720,,0.0,,,,,,0.0,,,,,,,,,
O=C(Nc1cccnc1)c1noc2c1CCCCC2,CID3244722,,,,0.0,,,,,,,,,,,,,
Cc1nc(CNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cs1,CID3244729,,,,,0.0,,,,,,,,,,,,
CC(=O)c1cccc(NC(=O)COC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1,CID4536994,,,,,,,,,,,,,,0.0,,,
c1ccc(-c2onc3cc4c(cc23)OCCO4)cc1,CID695625,,,0.0,0.0,,,0.0,0.0,,,0.0,,,,0.0,0.0,
CCC(=O)N(CC)C1=C(O)c2ccccc2C(=O)C1=O,CID2879069,,,,,,0.0,,,,,,,,,,,
O=C(NNS(=O)(=O)c1ccc2ccccc2c1)C1CCN(Cc2ccccc2)CC1,CID3299924,,,,,,0.0,,,,,,,,,,,
Cn1c(=O)c2c(-c3cccc(F)c3)c3c(nc2n(C)c1=O)-c1ccccc1C3O,CID3149519,,,,,,0.0,,,,,,,,,0.0,,
CC1(C)CC(=O)C(C(c2ccco2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1,CID1191206,,,,,,,,,,,,,0.0,,,,
Cc1c(Cl)c(C(=O)NNC(=S)NCc2ccco2)nn1C,CID842824,,,,,,,,,,,,,,,0.0,,
Cc1ccc(NC(=S)NNC(=O)c2nn(C)cc2Cl)cc1,CID842822,,,,,,,,,,,,,,0.0,,,
O=C(Nc1nccs1)c1cc(N2CCOCC2)nc2ccccc12,CID3000167,0.0,0.0,,,0.0,,0.0,,0.0,,,,,,,,
CCOC(=O)Cc1csc(NC(=O)CSc2nnc(-c3cccnc3)n2Cc2ccco2)n1,CID3177765,,,,,,,,,,,0.0,0.0,,,,,
CCC(Oc1nc2ccccc2nc1-c1ccccc1NC(C)=O)C(=O)c1ccccc1,CID2960371,,,,,,0.0,,,,,,0.0,,,,,
Cc1noc(C)c1C(=O)NC(C)C1CCCO1,CID2970406,,,,,,,,,,,,,0.0,,,,0.0
CC(C1CC1)N(Cc1ccccc1)C(=O)c1ccc(F)cc1,CID2829750,,,,,,0.0,,,,,,,,,,,
O=C(c1ccccc1S(=O)(=O)NCc1ccccc1)N1CCCCC1,CID5307908,0.0,,,,,0.0,,0.0,,,,,0.0,,,,
S=c1[nH]nc(-c2cccs2)n1/N=C/c1cccs1,CID3743038,,,,,,,,,,,,,,,0.0,,
O=C(CSc1ccccn1)N/N=C/c1ccccc1[N+](=O)[O-],CID790794,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCCN(c2ncccn2)C1,CID647007,0.0,0.0,,0.0,,0.0,0.0,0.0,,,0.0,,0.0,,,,
O=C(Nc1cccnc1)c1c(O)n2c3c(cccc3c1=O)CC2,CID647006,,0.0,0.0,0.0,,,,,0.0,,,,,,,,
COc1ccc2[nH]c(C)c(CCN3C(=O)OC(C)(C)C3(C)O)c2c1,CID4212030,0.0,,,,,,,,,,,,,,,,
CCOC(=O)c1[nH]c(C)c(CN(Cc2ccco2)C(=O)C(F)(F)F)c1C,CID1261096,,,,0.0,,,0.0,,0.0,,,,,,,,0.0
O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)Nc1ccc2c(c1)OCO2,CID1252334,,,,0.0,,,0.0,,,,,0.0,,,0.0,,
Cc1sc(NC(=O)CN2CCOCC2)c(C(=O)c2ccccc2)c1C,CID1358927,,,,,,,,,,,,0.0,,,,,
O=C(CCn1c(=O)[nH]c2ccsc2c1=O)N1CCN(c2cccc(Cl)c2)CC1,CID3241176,,,,,0.0,0.0,,,,,0.0,0.0,,,,,0.0
CS(=O)(=O)N(CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc2c(c1)OCO2,CID2975355,,,,,0.0,,,,,,0.0,,,,,,
CCOC(=O)C1=C(Cn2ccc(C(F)(F)F)n2)NC(=O)NC1c1ccc2c(c1)OCO2,CID2982996,,,,,,,,,,,,,,,,,0.0
CCn1c(SCC(=O)Nc2ccc3c(c2)c2ccccc2n3CC)nnc1-c1ccco1,CID1890961,,,,,,,,0.0,,,0.0,,0.0,,,,0.0
O=C(Cn1cnc2ccccc2c1=O)OCC(=O)c1ccc2c(c1)OCCO2,CID2540221,,,0.0,,,,,,,,,,0.0,,,,
Cc1c(NS(=O)(=O)N2CCCCC2)c(=O)n(-c2ccccc2)n1C,CID992715,,,,,,,,,0.0,,0.0,,,,,,
c1ccc(Nc2ccccc2Nc2ccccn2)nc1,CID691990,,,,,,,0.0,0.0,,,,0.0,,,,0.0,
COC(=O)c1ccc(CN(c2ccccc2OC)S(=O)(=O)c2cccs2)o1,CID2109330,,,,,0.0,,,,,,,,,,,,
O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCCC1,CID2934499,,,,,,,,,,,,,,0.0,0.0,,
O=C(CCn1cnc2ccccc2c1=O)Nc1nc2c(s1)CCCC2,CID1291195,,0.0,,,,,,,,0.0,,,,,0.0,0.0,
O=c1c2c(nc3nc(Cc4ccccc4)[nH]n13)CCC2,CID934699,,0.0,0.0,0.0,,,,,,0.0,0.0,,0.0,,0.0,,
O=C1C=CC(=C2C=C(C(=O)NCCCN3CCOCC3)NO2)C=C1,CID6324569,,,,,,,,0.0,,,,,,,,,
CC1=C(c2ccccc2)[N+](=O)C2(CCCCC2)N1[O-],CID2269690,,,,,,,,,,,,,,0.0,,,
O=C(CSc1nc(Cc2ccccc2)nc2ccccc12)Nc1ccc2c(c1)OCCO2,CID1442514,,,,,,0.0,,,,,,,,0.0,,,
COc1ccc(C(=O)Nn2cnc3scc(-c4cccs4)c3c2=O)c(O)c1,CID2097351,,,,,0.0,,,,0.0,0.0,0.0,,,0.0,,,
Cn1nc(-c2ccc(N3CCCCC3)c(NC(=O)c3ccco3)c2)c2ccccc2c1=O,CID1314771,0.0,0.0,,0.0,,,0.0,0.0,,,,0.0,,,,,0.0
O=C(Nc1ccc(F)cc1)N(Cc1ccco1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3,CID652442,,,,0.0,,,,,,0.0,,,,,,,
COc1ccc(OC)c(-c2c[n+](=O)c3c(n2[O-])CCCC3)c1,CID666228,,,,,,,0.0,,,0.0,,0.0,,,,,
N#CC1=C(SCC(=O)NC2CCCCC2)NC(=O)CC1c1ccco1,CID2941317,0.0,,,,0.0,,,,,0.0,,,,,,0.0,
COc1ccc(-c2nc3c(c(=O)n(C)c(=O)n3C)n2CC2CC(c3ccccc3)=NO2)cc1OC,CID666224,0.0,,,,,,0.0,,,,,0.0,,,,,
COC(=O)c1ccc(-n2cnc3ccccc32)nc1,CID4298771,,,,,,,,,,,,,,0.0,,,
COc1cc2nc(SCC(=O)NCCc3ccccc3)n(Cc3ccco3)c(=O)c2cc1OC,CID3238634,,,,,0.0,,0.0,,,0.0,0.0,,,,,,
CCN1C(=O)CSc2ccc(C(=O)NCCCN3CCOCC3)cc21,CID3238636,,0.0,,0.0,,0.0,0.0,0.0,0.0,,,,,,,,0.0
CCc1nc(NCC2CCCN2CC)c2nnn(Cc3ccccc3F)c2n1,CID654845,,0.0,,,,,,,,0.0,,,,,,,
CC1CCCCN1C(=O)CN1C(=O)CN(C)C(=O)c2ccccc21,CID654844,,,,,0.0,,,0.0,,,,,0.0,,,,
Cc1ccc(C(=O)OCCN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1,CID4202816,,,,,,,,,,,,0.0,,,,,
O=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)c1ccccc1,CID1246685,,,,,,,,,,,,,,,0.0,,
Cc1ccc(/C=N/NC(=O)Cc2c[nH]c3ccccc23)c(C)c1,CID840851,,,,,,0.0,,,,,,0.0,,,,,
CC1(C)CC(=O)c2c(nc3ccccc3c2N)C1,CID617614,,0.0,,,,,,,,,,0.0,,0.0,,,
O=C(CSCc1ccccc1)Nc1ccc(Cl)cn1,CID2084132,,,,,,,,,,,,,,0.0,,,
CCn1c2ccccc2c2cc(NC(=O)C(=O)N3CCOCC3)ccc21,CID2185058,,,,,,,,,,,,,,,0.0,,
O=C(NCCSCc1ccco1)c1ccc(CN2CCOCC2)cc1,CID2287281,,,,,0.0,0.0,,,,,,,,,,,
O=C(CCc1nc2ccccc2s1)N1CCN(c2ccccc2)CC1,CID2095566,,,,,,,,,,,,,,0.0,,,
CCSc1nnc(-c2sc3nnc(-c4ccccc4)c(-c4ccccc4)c3c2N)o1,CID6406850,,,,,,1.0,,,,,,,,,0.0,,
COc1ccccc1NC(=O)Nc1ccnn1C1CCCCC1,CID2103175,,,0.0,,,0.0,,,,,,,0.0,,0.0,,
O=C(Nc1ccccc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1,CID1263007,0.0,0.0,,0.0,0.0,,,,,,,,,,,,
CS(=O)(=O)N(CC(O)Cn1c2ccccc2c2ccccc21)c1cccc2ccccc12,CID3738563,,,,,,,,,0.0,,,,,,,,
O=C(CS(=O)(=O)Cc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1,CID1292276,,,,,,0.0,,,,,,,,0.0,,,
CC(=O)c1ccccc1OCCn1nnc(-c2ccc(C)cc2)n1,CID2550878,,,0.0,,,,0.0,0.0,,,,,,,,,
CCOC(=O)N1CCN(C(=O)c2cc(C)c3c(C)nn(-c4ccccc4)c3n2)CC1,CID3239980,,,,,,,,,,,,0.0,,,,,
CCOC(=O)C1CCCN(c2c(NCCc3ccc(S(N)(=O)=O)cc3)c(=O)c2=O)C1,CID5308703,,,,,,,0.0,,,,,,,,,,
CC1=Nc2ccc(C)cc2N(Cc2ccccc2)C(=O)C1,CID5308705,0.0,,,0.0,,,,0.0,,,,,,,,,
CS(=O)(=O)N(CC(=O)Nc1cccnc1)c1ccc2c(c1)OCCO2,CID2194910,,,,0.0,,,,0.0,0.0,,,,0.0,0.0,,,0.0
CC(=O)c1ccccc1OCC(O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1,CID2967872,0.0,,,,,,,,,,,,0.0,0.0,,,
O=C(CCSc1nnc(-c2ccncc2)o1)Nc1cccc2ccccc12,CID992127,,,,,,,,,,0.0,,,,,,,
N#Cc1c(-c2ccccc2)no[n+]1[O-],CID1756,,,,,,,,0.0,,,,,,,,,
Cc1cc(=O)[nH]c2c1c(=O)[nH]n2C1CC(C)N(C)CC1C,CID651768,,,,,,,,,,,0.0,,0.0,,,0.0,
CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccccn2)c1C,CID2392043,,,,,,,,,,,,,,,0.0,,
Cn1c(NC(=O)c2cccs2)cc(=O)n(C)c1=O,CID903488,,,,0.0,,0.0,,0.0,,,0.0,0.0,0.0,,0.0,,
O=c1oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc2c2c1CCCC2,CID997475,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccccc1)C12CC3CC(CC(C3)C1)C2,CID585597,,,,,,0.0,,,,,,,,,,,
C=C1CSc2nc(=O)c3c4c(sc3n21)CCC4,CID764982,,,0.0,0.0,,,,,,,,,,,,,
O=c1c2ccccc2nc(-c2ccco2)n1-c1cccnc1,CID823064,0.0,0.0,,0.0,,,0.0,,,,,,,,,,
O=c1c2ccccc2nc(-c2ccco2)n1-c1ccncc1,CID823069,0.0,0.0,,,,,0.0,0.0,,,,,,,0.0,,
CCOc1ccc(NC(=O)CC2C(=O)N(C)C(=S)N2Cc2ccc3c(c2)OCO3)cc1,CID2949909,,,,,,,,,,,,0.0,,,0.0,,
c1ccc(-c2nnc(SCc3cn4ccsc4n3)o2)cc1,CID2998192,0.0,,,,0.0,,0.0,,0.0,,,,,,,0.0,0.0
COc1ccc(C2=NCC(CSc3nnnn3C)S2)cc1,CID2998197,0.0,0.0,,,,0.0,0.0,,,,,,,,,,
CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCc2ccccc2C1,CID2998195,,0.0,0.0,,0.0,0.0,,0.0,,,,,,,,,
COC(=O)NC1CSCC1OC(=O)c1ccc(Br)cc1,CID2956424,,,,,,,,,0.0,,,,,,,,0.0
O=[N+]([O-])c1ccc(Sc2c(-c3ccccc3)nc3ccccn23)cc1,CID703438,,,,,,0.0,,,,,,,,,,,
CC1(C)Cc2c(sc3nc(SCC(=O)N4CCOCC4)nc(N)c23)CO1,CID664691,,,,,0.0,,,,,,,,,,,0.0,
O=C(CCCCn1c(=O)[nH]c2ccsc2c1=O)NCc1ccc2c(c1)OCO2,CID9549985,,,,,,,,,,,,0.0,,,,,
COc1ccc(CN2CC(C(=O)NCCN3CCN(c4ccccc4F)CC3)CC2=O)cc1,CID3243552,,0.0,,,,,,0.0,,,,,,,,,
CC12CCC(C(=O)Nc3ccc4c(c3)OCCO4)(OC1=O)C2(C)C,CID2920900,,,,,,,,,,,,,,,,0.0,
Cc1ccc(Cl)cc1NC(=O)COC(=O)C1CCCCC1,CID2335922,,,,,,,,,,,,,,0.0,,,
Nc1nc(-c2sc3nc4c(cc3c2N)CCCC4)nc(N2CCOCC2)n1,CID1504905,,,,,,,,,,,,,,,0.0,,
Cc1cc(C(=O)N2CCCc3ccccc32)no1,CID3241952,,,,,,,,,0.0,0.0,0.0,,,,,0.0,
CC(C)CN(C(=O)COC(=O)c1cc2c(s1)CCC2)C1CCS(=O)(=O)C1,CID2998734,,,,,0.0,0.0,0.0,,,,,,,,,,
O=C(NC1CCCCCC1)c1cccs1,CID2057917,,0.0,,,0.0,,0.0,,,0.0,,,0.0,,,,
Cc1ccc2c(c1)N(Cc1ccccn1)C(=O)C(C)O2,CID655914,,,,,,,,,,,,,0.0,,,0.0,
Cc1cc(C)c2nc(N3CCCN(C(=O)c4cnccn4)CC3)c(C#N)cc2c1,CID655912,,,,,,0.0,0.0,,,,,,,,0.0,,
N#CCCN(Cc1cccnc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1,CID653181,,,,,0.0,,,,,,,,,,,0.0,0.0
Cc1nc2ccc(-c3ccccc3)cc2o1,CID653180,,,0.0,,,,0.0,,0.0,,,0.0,,,,0.0,0.0
Cc1ccc(N2CC(C(=O)NC3CCSC3=O)CC2=O)cc1,CID653188,,0.0,,0.0,,,,0.0,,,,,,,,,
O=C1c2cccnc2-c2ncccc21,CID342157,,,,,,,,0.0,,,,,,,0.0,0.0,
CC(C)Cc1nc2oc3c(=O)nc[nH]c3c2c2c1CCCC2,CID1941916,,,,,,,,,,,,,,,0.0,,
Cc1cc(NC(=O)Nc2cccc3ccccc23)no1,CID306162,,0.0,,,,,0.0,,,,,0.0,,0.0,0.0,0.0,
COC(=O)c1sccc1NC(=O)c1ccncc1,CID897624,,0.0,,,,,0.0,,,,,,,,,,
O=C(CCSCc1ccccc1)Nc1ccc2c(c1)OCCO2,CID6498106,,,,,,,,,,,,,,,0.0,,
[O-][n+]1c2ccc3nonc3c2nn1-c1ccccc1Cl,CID846096,0.0,,,,,,,,,,,,,,,,
O=C(Nn1c(=O)[nH]c2ccsc2c1=O)c1ccccc1,CID3242601,,0.0,,,,,0.0,,0.0,,,,,0.0,,0.0,
O=C(CCCCCn1c(=O)[nH]c2ccccc2c1=O)NCCCN1CCN(c2ccccc2F)CC1,CID3239150,,,0.0,,,,,,,,,,,,,,
O=C(C1CCCN(S(=O)(=O)c2ccc(Br)s2)C1)N1CCCCCC1,CID3242607,,,,,,,0.0,,,,,,,,,0.0,
Cc1noc(C)c1S(=O)(=O)N(C)CC(=O)NCc1ccccc1,CID3242609,,,,,,,,,0.0,,0.0,,,,,0.0,
Cc1ccc2c(c1)N(CCC(=O)NC1CC1)C(=O)C(C)O2,CID3239158,,,,,,0.0,0.0,,,0.0,,,,,,,
O=S(=O)(/C=C/c1ccccc1)n1cnc2ccccc21,CID781542,,,,0.0,,,0.0,0.0,,,,0.0,,,,,0.0
CC(C)C(CCNC(=O)CC(Cc1ccccc1)c1ccco1)c1ccco1,CID3275785,,,,,,,,,,,,0.0,,,,,
C/C(=N\NC(=O)c1ccccc1)c1cc2cc([N+](=O)[O-])ccc2oc1=O,CID3664671,,,,,,,,,,,,,,,0.0,,
COc1ccc(NC(=O)CCc2ccccc2)cc1NC(=O)c1ccco1,CID1231056,0.0,,0.0,0.0,,,,0.0,0.0,,0.0,0.0,0.0,,,0.0,0.0
Clc1ccc(Cn2ncc3c(NCc4ccccc4)ncnc32)cc1,CID930040,,,,,,,,,0.0,,,,,,,,
C/C(CCc1ccco1)=N\NC(=O)CNc1cccc2ccccc12,CID5030702,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1c(C)nc2c3ccccc3ccn12,CID749132,,,0.0,,,,,,,,,0.0,0.0,,0.0,,
Cc1nn2c3ccccc3n(Cc3ccccc3)c2nc1=O,CID749134,,,,,,,,,,,,0.0,,,,,
O=C(NCc1ccncc1)c1cc2ccccc2nc1Cl,CID2307917,,,,,,,,,,,,,,,0.0,,
CCC(c1c(C)[nH]oc1=O)c1c(C)[nH]oc1=O,CID659116,,,,,0.0,,,0.0,,,,,,,,,
CC(C)N(Cc1ccccc1)CC(O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl,CID4673307,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)n(-c2cccc3cccnc23)n1,CID773777,,,0.0,0.0,,,,,,0.0,,,,,,0.0,
CC(=O)n1c2ccccc2c2c(C#N)c(N3CCCCC3)sc21,CID658240,,,0.0,,,,,,,,,,0.0,,,0.0,
O=C(c1cnn2c(C(F)F)cc(C3CC3)nc12)N1CCc2ccccc2C1,CID2164705,,,,,0.0,,,,,,,,,,,,
COC(=O)c1ccccc1NC(=O)c1cnn2c(C(F)F)cc(C3CC3)nc12,CID2164709,,,,,0.0,,,,,,,,,,,,
Cc1cc(NC(=O)c2cc3nc(C4CC4)cc(C(F)(F)F)n3n2)no1,CID2164708,,,,,0.0,,,,,,,,,,,,
Cc1ccc(S(=O)(=O)N2c3ccccc3OCC2c2ccccc2)cc1,CID3763605,,,,,,,,,,,,,,,0.0,,
CCOc1ncccc1C(=O)OCC(=O)N1CC(=O)Nc2ccccc21,CID2095397,,,0.0,,,,,,,,,,,,,,0.0
COc1ccc(COC(=O)N/N=C(\C)CC(=O)Nc2c(C)cc(C)cc2C)cc1,CID2880303,,,,,,0.0,,,,,,,,,,,
CN1CCN(S(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)CC1,CID977504,,0.0,,0.0,,0.0,0.0,,0.0,,,,0.0,,,,
Cc1c(C(=O)NCCC2=CCCCC2)oc2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc12,CID3244298,,,,,0.0,,,,,,,,,,,,
COC(=O)C1(S(=O)(=O)c2cccc3nsnc23)CC1,CID3244290,,,,0.0,0.0,,,,,,,,,,,,
CCOC(=O)N1CCN(C(=O)C(CC(C)C)NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)CC1,CID6622366,,,,,,,,,,,,0.0,,,,,
CCCCn1nnc(NC(=O)CC23CC4CC(CC(C4)C2)C3)n1,CID2963810,,0.0,0.0,,,,,0.0,,,,,0.0,,,,
O=C(COc1cccc(C(F)(F)F)c1)NCCCN1CCCC1=O,CID2225491,,,,,,,,,0.0,,,,,,,,0.0
CSc1nc(N2CCOCC2)c2c3c(sc2n1)CCC3,CID899074,0.0,0.0,0.0,0.0,0.0,,,,,,,,0.0,0.0,0.0,,0.0
COc1cc(C2C(=O)N(C3CCCC3)CC(=O)N2Cc2ccco2)ccc1OC(C)C,CID3244860,,0.0,,,0.0,,,,,,,,,,,,
COc1cc2c(cc1NC(=O)c1cc(-c3cccnc3)nc3ccc(C)cc13)oc1ccccc12,CID2220529,,,,,,0.0,,,,,,,,,,,
Cn1cccc1C(=O)OCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1,CID2126119,,0.0,0.0,,,,,0.0,0.0,0.0,,0.0,0.0,,,,0.0
O=C(c1ccsc1)N1CCN(C(=O)c2cccs2)CC1,CID1332056,,,0.0,,,,,,,0.0,,,,,0.0,,
CCn1nc(C(=O)OCc2c(C)noc2C)c2ccccc2c1=O,CID2126116,,,,,,,,,,,,,0.0,0.0,,,
CCOC(=O)c1cc(-c2ccncc2)nc2c1c(C)nn2C,CID2997652,,0.0,0.0,,,0.0,,,,,,,,,,,
O=C(c1ccco1)N1CCN(C(=O)C2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)CC1,CID2997655,,,,,,,,,,0.0,,,,,,,
O=C(Cc1cn2ccsc2n1)NCc1ccccc1,CID2997654,,,,,,0.0,,,,,0.0,,0.0,,,,0.0
CCOC(=O)C1CCN(C(=O)COC(=O)COc2ccccc2OC)CC1,CID2997657,,,,0.0,,,0.0,,,,,,,,,0.0,
O=C(NNc1ccc(C2CCCCC2)cc1)C(O)(c1ccccc1)c1cccs1,CID2959948,,,,,,0.0,,,,,,,,,,,
O=c1[nH]c2ccc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cc2o1,CID2002582,,,,,,0.0,,,,,0.0,,,0.0,,,
c1nc(N2CCOCC2)c2[nH]cnc2n1,CID76098,,0.0,,,,,,,,,,0.0,,,,,
O=C(c1ccccc1-n1cccn1)N1CCc2c([nH]c3ccccc23)C1c1ccccn1,CID16190497,,,,,,,,,,,,,,,0.0,,
c1nc(N2CCCC2)c2[nH]cnc2n1,CID756690,,1.0,,,,,,,,,,,,,0.0,,
O=C(Nc1ccncc1)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O,CID890139,,,,,,,,,0.0,0.0,0.0,,,,,,
CC1(C)Cc2c(c(N3CCOCC3)nc3sc4c(NCc5ccco5)nnnc4c23)CS1,CID660344,,0.0,,,,,0.0,,,,,0.0,,,,,0.0
O=c1nc(-c2ccccn2)[nH]c(C(F)(F)F)c1Br,CID1478662,,,,,,,,,,,,,,0.0,,,
N#CC1=C(N)OC2=C(C(=O)CCC2)C1c1ccncc1,CID604935,,,,,,,,,,,,,0.0,,,0.0,
COc1cccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)c1,CID984646,,,,,,,,,,,,,,0.0,,,
CCCn1c(SCC(=O)NC2CCCC(C)C2C)n[nH]c1=O,CID3947815,,,,,,,,,,,0.0,,,,,,
Cc1csc(SCC(=O)N(C)CC(=O)Nc2ccc(F)cc2)n1,CID2504384,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCC(=O)N1CCc2ccccc2C1,CID3000076,,,,,,,,0.0,,,,,,,,,
COc1ccc(CCNC(=O)CN2CCN(c3cccc(Cl)c3)CC2)cc1OC,CID3000075,,,,0.0,,,0.0,0.0,,0.0,,,,,,0.0,0.0
O=C(c1ccc(=O)n(Cc2ccccc2)n1)N1CCN(C/C=C/c2ccccc2)CC1,CID2097533,0.0,,0.0,,,,0.0,,,,,0.0,,,,,
O=C(Nc1cc(=O)c2ccccc2o1)N1CCOCC1,CID720967,,,,,,,0.0,0.0,,,,,,,,,
Cc1cc(C(=O)CSc2nnnn2C)c(C)n1-c1ccc2c(c1)OCCO2,CID2098603,,,,,,,,,,,0.0,0.0,0.0,,,0.0,
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nnc(-c2ccncc2)n1Cc1ccccc1,CID2078703,,,,,,0.0,,,,,,,,,,,
c1csc(-c2csc(-c3cccs3)n2)c1,CID2546578,,,,,0.0,,,,,,,,,0.0,0.0,,
O=C(Cn1[nH]c(=O)c2ccccc2c1=O)OCC(=O)N1CCc2ccccc2C1,CID2078704,,0.0,0.0,,,,,0.0,,,,,,,,,
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCC(=O)Nc1ccc(C(C)=O)cc1,CID4037186,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)N2CC=C(c3ccccc3)CC2)cc1S(=O)(=O)N1CCOCC1,CID2494767,,,,,,0.0,,0.0,,0.0,,,,,,0.0,0.0
O=C(NC1CCCCC1)C(c1ccc(F)cc1)N(Cc1ccco1)C(=O)c1ccccn1,CID3206071,,,,,,,,,,,,,,,0.0,,
Cc1nc2ccccc2cc1C(=O)N/N=C/c1ccco1,CID838465,,,,,,,,,,,,,,0.0,,,
CC(=O)Nc1ccc2c(c1)CC1(C(=O)N(C)C(=O)N(C)C1=O)C1CCCN21,CID666750,,,,0.0,,,,,,,,,,,,,0.0
Cc1cc(NC(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)no1,CID993259,0.0,,,,0.0,,,0.0,,,,0.0,,,,,0.0
Cc1ccc(-c2nn3c(C)nnc3c3ccccc23)cc1S(=O)(=O)N1CCN(CCO)CC1,CID666756,,,0.0,,,,,0.0,,,,,0.0,,,0.0,0.0
CN1CCN(C(=S)SCC(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)o2)CC1,CID2931091,,,,,,,,,,,,,,,0.0,,
Cc1cc(OCc2nn[nH]n2)c2c3c(c(=O)oc2c1)CCC3,CID667002,,,0.0,,,,,,,,,,,,,,
O=C(NCCc1c[nH]c2ccccc12)C1CCN(c2nnc(N3CCCC3=O)s2)CC1,CID3245357,0.0,,,,,0.0,,,,0.0,,,,,,0.0,
COCCOC(=O)c1c(C)n(C)c2ccc(OC(=O)c3cccs3)cc12,CID667008,0.0,,,,,0.0,,,0.0,0.0,,,0.0,,,0.0,
O=C(c1ccc2c(c1)ncn2C1CCCCCC1)N1CCC2(CC1)OCCO2,CID3245353,,,0.0,,0.0,0.0,,0.0,,,,,,,,,
O=C(CCS(=O)(=O)c1cccc2nsnc12)N1CC(=O)N(CCc2ccccc2)C(=O)C1,CID3245352,,,,,,,,,,,,,0.0,0.0,,,
O=C1CCC(C(=O)NC2(C(=O)NC3CCCCC3)CCCCC2)N1,CID3245351,,,,,,,0.0,,,,,,,,,0.0,0.0
O=C(O/N=C1\CCS(=O)(=O)c2sccc21)C1CC1,CID1480194,,,,,,,,,,,,,,0.0,,,
CC1=C(C(=O)Nc2cccnc2)C(c2ccccn2)N2NN=NC2=N1,CID5771386,,0.0,,,,,,,,,,,,,,,
O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2c3c(sc21)CCCCC3)c1ccccc1,CID1846661,,,,,,0.0,,,,,,,,,,,
CC1=C(C(=O)Nc2ccccn2)C(c2cccnc2)N2NN=NC2=N1,CID5771380,0.0,,0.0,,,,,,,,,,,,,,
Cc1ccc(Nc2nc3nonc3nc2N(C)C)cc1,CID739859,,,,,,,,,,,,0.0,,,,,
O=C(NCCCN1CCCC1=O)c1ccc(OCc2ccccc2)cc1,CID2080637,,,,,,,,,,,,0.0,,,0.0,,
COc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N2CCCc3ccccc32)cc1,CID1207071,,,,,,,,,,,,0.0,,,,,
CCN(CC)c1nc(-c2ccccn2)nc(-c2ccccc2)c1C#N,CID1480482,,,,,,,,,,,,,,,0.0,,
COc1cc(/C=C2/SC(=S)NC2=O)ccc1OS(=O)(=O)c1ccc(C)cc1,CID2268032,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)c(C#N)c(=N)o1,CID2369439,,,,,,,0.0,,,,0.0,0.0,,,,,
COc1ccc(/C=C/C(=O)N2CCN(c3ccccn3)CC2)c2ccccc12,CID6003822,,,,,,,,,,,,,,,0.0,,
O=C(c1cccnc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1,CID1151521,,,,,,,,,,,0.0,,,,,,
COCCn1cnnc1SCC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1,CID2621589,,,,,0.0,,,,,,,,,,,0.0,0.0
O=C(CNC(c1ccccc1)c1ccccc1)Nc1c(F)cccc1F,CID2460537,,,,,,,,,,,,,,0.0,,,
O=C(c1ccc([N+](=O)[O-])c(CS(=O)(=O)c2ccc(Cl)cc2)c1)N1CCCCC1,CID1472076,,,,,,,,,,,,,,,0.0,,
CN1CCN(C(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)CC1,CID2980648,0.0,0.0,,,,,,,,,,,,,,,
O=C(Nc1c(Cl)ccc2nsnc12)c1ccco1,CID2034766,,,,,,,,,,,,,,,0.0,,
Oc1ccccc1CNCCCNCc1ccccc1O,CID2283723,,,,0.0,0.0,,,0.0,,,,,,,,,
Cc1cc(=O)nc(N/N=C/c2c(C)oc3ccccc23)[nH]1,CID2326849,,,,,,,,,,,,,,0.0,0.0,,
CC1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)C3CC3)cc2)CC1,CID1152871,,,,,,,,,,,,,,0.0,,,
C#Cc1ccc(C2C=C(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)OC(OCCCCO)C2)cc1,CID16187170,,,,,,,,,,,,,,,0.0,,
O=C(C1=CC(c2csc3ccccc23)CC(OCc2ccc(CO)cc2)O1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID16187175,,,,,,,,,,,,,,0.0,,,
O=C(c1ccc(C(=O)N2CCOCC2)s1)N1CCOCC1,CID723574,,,,,,,,,,0.0,,,,,,,
Cc1nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2s1,CID571521,,,0.0,,0.0,,,,,,0.0,,,,0.0,,
Cc1cc(=O)nc(SCCCOc2ccc3c(c2)CCC3)[nH]1,CID2216356,,,,,,,,,0.0,,,0.0,,,,,
Cc1ccccc1NC1=NN=C(c2ccccc2F)CS1,CID5147972,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)N(C)CC(=O)NC2CC(C)(C)NC(C)(C)C2)cc1,CID2201627,,,,0.0,,,,0.0,,,,,,0.0,,,
O=C(Nc1nn[nH]n1)c1ccc(S(=O)(=O)N2CCCCC2)cc1,CID2360119,,,,,,,,,,,,,,,0.0,,
CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccco2)CC2CCCO2)cc1,CID665630,,,,,,,,,,,,,,,,0.0,
O=C(CCCNS(=O)(=O)c1ccc(Br)cc1)N1CCC2(O)CCCCC2C1,CID665631,0.0,,,,,,,,0.0,,0.0,,,,,0.0,
c1nc(N2CCC3(CC2)OCCO3)c2c3c(sc2n1)CCCC3,CID665638,,,0.0,,,,0.0,,,,0.0,,0.0,,,0.0,
C1CCC(c2nn3c(-c4n[nH]c5c4CCC5)nnc3s2)CC1,CID665639,,,,,0.0,,,,,,,,0.0,,0.0,,
Cc1cc(C=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1,CID818769,,,,,,,,,,,,,,0.0,0.0,,
Cc1noc(COc2ccccc2OCC(N)=O)c1Cl,CID664322,0.0,,0.0,0.0,,,0.0,,,0.0,,,,,,0.0,0.0
O=C1c2cccnc2C(Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)N1Cc1ccccc1,CID3240277,0.0,,,,,,,,,,,,,,,,0.0
N#Cc1c(-c2ccco2)[nH]c(SCC(=O)Nc2cccc(Cl)c2)nc1=O,CID3240275,0.0,0.0,,0.0,0.0,0.0,0.0,,0.0,,0.0,0.0,,,,,0.0
Cc1c(C(=O)NCCCN2CCOCC2)sc2ncnc(N3CCN(c4ccccc4)CC3)c12,CID3240273,,,,,,,,,,,0.0,,,,,0.0,
Cc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)N1CCC2(CC1)OCCO2,CID3240272,0.0,,,,,,,,,0.0,,,,,,,
CCc1nc2ccccc2n(CCOCCOCCn2c(=O)c(CC)nc3ccccc32)c1=O,CID665092,,,0.0,,,,0.0,,,,,,0.0,,,,
O=C(c1cccs1)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1,CID1147951,,,,,,0.0,,,,,0.0,,,,,,
c1ccc(-n2ncc3c(N4CCN(c5ccccn5)CC4)nc(N4CCOCC4)nc32)cc1,CID665091,,,,,,,,,,0.0,,,,,,,
C=CCON/C(CCC)=C1\C(=O)C(C(=O)OC)C(C)(C)C\C1=N/C,CID5900844,,,,,,,,,,,,,,0.0,,,
CC1=C(C(=O)NCc2ccccc2)C(c2ccc(C)o2)N2NC=NC2=N1,CID5390084,,,0.0,,,,,,,,,,0.0,,,,
O=C(C1=NNC2C(=O)N(c3ccccc3C(F)(F)F)C(=O)C12)C(c1ccccc1)c1ccccc1,CID12005770,,,,,,,,,,,,,,0.0,,,
Nc1c(C(=O)OCC2CCCO2)c2nc3ccccc3nc2n1-c1ccc2c(c1)OCCO2,CID664888,,0.0,,,,,,,0.0,,0.0,0.0,,,,,
Cn1c(C(=O)OC(C(=O)NC2CCCCC2)c2ccccn2)cc2sccc21,CID3228542,,,,,,,,,0.0,,,,,0.0,,,
Cc1ccc(Cl)cc1NC(=O)COC(=O)CC1CC2CCC1C2,CID4085368,,,,,,,,,,,,0.0,,,,,
CC1Cc2cc(/C(O)=C3\C(=O)C(=O)N(CCN(C)C)C3c3ccccc3F)ccc2O1,CID5390080,,,0.0,,,,,,,,,,,,,,
O=C(NC1c2ccccc2-c2ccccc21)N1CCCCC1,CID1121624,0.0,,,,0.0,,,0.0,,,,0.0,,,,,
CSc1ncccc1C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1,CID2410789,,,,,,,,,,,,,,0.0,,,
O=c1/c(=C/c2ccc3c(c2)OCO3)sc2n1CCCN=2,CID649728,,,0.0,,,,0.0,0.0,,,0.0,0.0,0.0,,,,
O=C(NC1CCCCC1)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)CC1CCCO1,CID649722,,,0.0,,,,,,0.0,,,0.0,,,,,0.0
Cc1nn(-c2cccc(Cl)c2)c2c1C(c1cccnc1)C(C#N)=C(N)O2,CID649721,0.0,,,,,,0.0,,,,,,,,,0.0,
O=c1[nH]c2cc3c(cc2cc1C(c1nnnn1C1CCCCC1)N1CCSCC1)OCCO3,CID649727,0.0,,0.0,0.0,,,0.0,,,,,,,,,0.0,
O=c1c2c(-c3ccc([N+](=O)[O-])cc3)csc2nc2n1CCCCC2,CID753944,,,,,,,,,,,,,,,0.0,,
COc1ccccc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1,CID4780304,,,,,,,,,,,,,,,0.0,,
Cn1c(SCc2cnc(-c3ccccc3)s2)nnc1C1COc2ccccc2O1,CID3000202,0.0,,0.0,,,,,,,,,,,,,,
COc1ccccc1-c1nnc2sc(-c3cnccn3)nn12,CID1836241,,0.0,,0.0,0.0,,,,,,,,,,,,
COc1cc(CNC2CCCC2)cc(Br)c1OCC(=O)Nc1ccccc1C,CID2236530,,,,,,,,,,,,,,,0.0,,
Nc1nc(-c2cccnc2)nn1C(=O)CCc1ccccc1,CID971024,0.0,0.0,,0.0,,,0.0,,,,,,,,,,0.0
CCOc1ccc(-n2nc(C(=O)N3CCOCC3)c3ccccc3c2=O)cc1,CID3239423,,,,0.0,,,,,0.0,,,,,,,,
Cc1ccc(C)n1-c1ccc(Nc2ccccc2)cc1,CID793165,,,,,,0.0,,,,,,,,,,,
O=C(NCCN1CCOCC1)c1ccncc1,CID654022,,,0.0,0.0,,,,,,,,0.0,0.0,0.0,0.0,,
CN(CC(=O)NCc1ccco1)S(=O)(=O)c1cccc2cccnc12,CID5308004,,,,,,,,,,,0.0,,,,,0.0,
Cn1c(C(=O)N2CCC(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)cc2sccc21,CID5308007,,,,,,,0.0,,,,0.0,,,,,,
O=C(Cn1cc2c(n1)CCCC2)N1CCCc2ccccc21,CID5308006,,0.0,,,,,,0.0,,,,,,,,,
c1ccc2c(c1)CCN(c1nc3ccccc3n3cnnc13)C2,CID5308002,,0.0,,,,,0.0,,,,,,,,,,
O=C(NNS(=O)(=O)c1ccc(Br)cc1)NC1CCCCC1,CID1027798,,,,,,,,,,,,,,0.0,,,
Cc1cccc(C(=O)Nc2ccccc2C(=O)OCc2c(C)noc2C)c1,CID2568758,,,,,,,0.0,,0.0,0.0,0.0,,0.0,,,,
C=CCN1C(=O)/C(=C\c2ccc(N3CCOCC3)o2)C(=O)NC1=S,CID1634414,,,,,,,,,,,,,,0.0,,,
Cc1nc2ccccc2nc1OCC(=O)Nc1ccccc1,CID2469450,,,,,,,,,,,,,,0.0,,,
Cc1cc(/C=C(\C#N)C(=O)NCc2cccs2)c(C)n1-c1ccccc1F,CID1405179,,,,,,0.0,,,,,,,,,,,
O=C(CCC(=O)Nc1nnc(C2CCCCC2)s1)NCc1cccs1,CID663765,0.0,,0.0,0.0,0.0,,0.0,,0.0,,0.0,,0.0,0.0,,,0.0
Cc1cc(C)n(-c2nc3nonc3nc2-n2nc(C)cc2C)n1,CID645725,,,,,,,0.0,,,,,,,,,,
c1ccc(Cc2nnc3sc(-c4ccncc4)nn23)cc1,CID972599,,,,,,,0.0,,,,,,,,,0.0,
CSc1nsc(SCC(=O)N2CCCc3ccccc32)n1,CID1862693,,,,,0.0,,,,0.0,0.0,,,,,0.0,,
O=C(Nc1nc(-c2ccccc2)ns1)c1cccs1,CID972595,0.0,0.0,,0.0,0.0,,,,0.0,,,0.0,0.0,0.0,,0.0,
Cc1ccc(NC(=S)N2CCN(c3ncccn3)CC2)cc1C,CID972593,,,,,,,,,,,,,,,0.0,,
OC(CN1C2=NCCN2c2ccccc21)c1ccc(Br)cc1,CID659680,0.0,,,,,,,,,,,,,,,,0.0
Nc1nc(N2CCN(Cc3ccccc3)CC2)n[nH]1,CID1485849,,,,,,,,,,,,,,,0.0,,
O=C1CCCCCN1CSc1nc2ccccc2s1,CID659684,,,,,0.0,,0.0,,,,,,,0.0,,,
Brc1ccc2ncnc(Nc3cccc4ccccc34)c2c1,CID1187421,,,,,,,,,,,,0.0,,,,,
CCC(CC)C(=O)c1c[nH]c(C(=O)NCCCN2CCOCC2)c1,CID3712103,,,,,,0.0,,,,,,,,,,,
O=C(NC12CC3CC(CC(C3)C1)C2)c1ccccc1O,CID584960,,,,,,,0.0,,,0.0,,0.0,,,,,
CC(C)c1ccc(-c2nn(-c3ccccc3)cc2C2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1,CID3414515,,,,,,0.0,,,,,,0.0,,,,,
O=C(C1CC1)N(Cc1ccco1)c1nc(-c2ccccc2)cs1,CID647984,0.0,,,0.0,,,,,,,,,0.0,,,,
Cc1nc2ccccc2n1CC(=O)N1CC(=O)Nc2ccccc21,CID647985,,0.0,,,,,,,,,,,,0.0,,,
O=c1c(-c2ccco2)[n+]([O-])c2ccccc2n1OCc1ccccn1,CID977079,,,,,,,0.0,,0.0,,,0.0,0.0,,,,
CNC(=O)C(=O)NCC1OCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1,CID15944910,,,,,,,,,,,,,,,0.0,,
O=C(NCCN1CCCCC1)c1ccco1,CID60290,,,,,,,,,,0.0,,0.0,,,,,
Cn1/c(=N/C(=O)CSCC(=O)N2CCCC2)sc2ccccc21,CID3238397,,0.0,,,0.0,,,,0.0,0.0,,,0.0,,,,
Cc1cnc(C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cn1,CID1448489,,,,,,,,,,,,,,,0.0,,
Cc1ccc(Nc2nc(N)nc(CSc3nc4ccccc4s3)n2)cc1,CID1076245,,,,,,,,,,,,0.0,,,,,
CCC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4ccccn4)CC3)ccc21,CID3238399,,,,,,,,,,,,,,,,,0.0
COc1ccc(C2C(C(=O)N3CCC4(CC3)OCCO4)CC(=O)N2c2ccc(OC)cc2)cc1,CID3238398,,,,,,,0.0,,0.0,,,,,,0.0,,
Cc1c(NC(=O)CSc2ncn[nH]2)c(=O)n(-c2ccccc2)n1C,CID671358,,,,,,,,,,0.0,,,,,,,
COC(=O)c1ccc(COc2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)cc2OC)o1,CID5740525,,,,,,,,,,,,,,0.0,,,
CC(=O)c1ccc(NC(=O)CSC(=S)N2CCCC2)cc1,CID757533,,,,,,,,,,,,,,0.0,0.0,,
CCOC(=O)C1=C(N)n2c(s/c(=C\c3cccs3)c2=O)=C(C(=O)OCC)C1c1cccs1,CID651688,,,,,0.0,,0.0,,,,,,0.0,,,,
O=C(CSc1nc2ccccc2[nH]1)Nc1nc2ccccc2s1,CID684958,,,,,,0.0,,,,,,,,,,,
O=C(CSc1nnnn1C1CCCCC1)Nc1nc2c(s1)CCCC2,CID653274,,,,0.0,,,,,,,,,0.0,,,0.0,0.0
O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2c3c(sc21)CCCCC3)Nc1ccccc1,CID1954975,,,,,,,,,,,0.0,,,,,,
c1ccc2c(CSCCc3ccncc3)cccc2c1,CID1626247,,,,,,0.0,,,,,,,,,,,
CCN1CCN(C(=S)c2ccc(OCC(=O)N3CCOCC3)cc2)CC1,CID2956782,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1sc(N)c(C#N)c1COC(=O)CNC(=O)c1ccccc1,CID2999943,,,,,,,,0.0,0.0,,0.0,,,,,0.0,
COc1ccc(/N=C2\SC(CC(=O)Nc3ccccc3)C(=O)N2CC2CCCO2)cc1,CID2999941,,,,,,,0.0,0.0,,,,,,,,,0.0
CCn1c(SCC(=O)NCC2CCCO2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21,CID2999940,,,0.0,,0.0,0.0,,0.0,,,0.0,,,,,,
NC12CC3CC(C1)CC(CO)(C3)O2,CID2999947,,,,0.0,0.0,,,,,0.0,,,0.0,,,,0.0
COc1cc2c(C#N)c(N3CCN(c4ccccc4OC)CC3)nc(N)c2c(N)n1,CID2999946,,,,,,,,,,,,,,,,0.0,0.0
COc1ccc(C)cc1-n1nnnc1SCc1cn2ccsc2n1,CID2999944,0.0,,,0.0,0.0,,0.0,,,,,,,,0.0,,
CC(=O)NC(CC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1,CID4877102,,,,,,,,,,0.0,,,,,,,
CC1=CC(c2ccccc2)N2NC(N3C(=O)C4CC=CCC4C3=O)=NC2=N1,CID5389415,,,0.0,,,,0.0,,,,,,,,0.0,,
Cc1cc(C)nc(SCC2=NC(N)=N/C(=C3/C=CC=CC3=O)N2)n1,CID5739547,,,,0.0,,,,,,,0.0,,,,,,
O=S(=O)(N/N=C/c1ccccc1OCc1ccc(Cl)cc1)c1ccccc1,CID1919949,,,,,,,,,,,,,,,0.0,,
O=C(C1=C(O)C(=O)N(c2ncccn2)C1c1cccs1)c1ccco1,CID2918555,,0.0,,,,,,0.0,,,,,,,,,
O=C(CSc1nnnn1C1CCCCC1)Nc1cccc(NC(=O)c2ccco2)c1,CID646208,0.0,,0.0,0.0,,,,0.0,,,0.0,,0.0,,,,0.0
Cc1cccc(C)c1NC(=O)c1ccc(-n2cnnn2)cc1,CID646204,0.0,0.0,0.0,0.0,,,,0.0,,,,,,,0.0,,
CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)OCC(=O)Nc1ccc2c(c1)OCO2,CID2998014,,,,0.0,,,,0.0,,,,,,,,,
O=C(OCn1nnc2ccccc2c1=O)C1COc2ccccc2O1,CID2998015,,,0.0,,,,,0.0,,,,,,,,,
CC(=O)N1CCN2C(=O)C1CCCC(=O)c1cc(C3CCCCC3)ccc12,CID646203,,,0.0,,0.0,0.0,,,,0.0,0.0,,,,,,0.0
CC(c1nnc(Sc2nnnn2-c2ccccc2)n1-c1ccc(F)cc1)N(C)C,CID2999365,0.0,,0.0,,0.0,,,,,,0.0,,,,,,
O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1,CID2999363,,,0.0,0.0,,,,,,,0.0,,,,0.0,,0.0
O=C(CSc1n[nH]c(-c2ccncc2)n1)NC1CCS(=O)(=O)C1,CID2999362,,,,0.0,,,,,,,,,,,,0.0,
COc1ccc(CCNC(=O)CN2CCCc3ccccc32)cc1OC,CID2999360,,,,,,0.0,0.0,,,,,0.0,,,,,0.0
COc1cccc2cc3c(=O)n(-c4ccccc4)nc-3oc12,CID5307338,0.0,,,,,,,,,,,,,,,0.0,
O=C(CCc1nc2ccccc2[nH]1)N1CCc2ccccc2C1,CID5307339,0.0,,,,,,,,,,,,,,,0.0,
CC1CCc2nn(CC(=O)NCCCN3CCCC3=O)cc2C1,CID5307336,,,,0.0,,0.0,,,,,,,,,,,
CCOC(=O)C1CCCN(C(=O)C2CCCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C2)C1,CID5307333,,,,0.0,,,,,,,,,,,,,0.0
CCN(CC)c1ncnc2c1cnn2C,CID223706,,0.0,,0.0,,,,,,,,0.0,0.0,,,,
O=C(COc1ccc2ccccc2c1)N1CCN(C(=O)c2cccnc2)CC1,CID1147953,,,,,,,,,0.0,,,,,,,,
CCn1c(SCC(=O)NC2CCCc3ccccc32)nnc1-c1ccncc1,CID4881042,,,,,,,,,,,,,,0.0,,,
CCN1CCCC1CNC(=O)CCNC(=O)c1cc(OC)c(OC)c(OC)c1,CID3237612,0.0,,,,,,,0.0,,,,,,,,,
CC(=O)Nc1ccc(S(=O)(=O)/N=C2\SCCN2S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1,CID3241855,,,,,0.0,,,,,,,0.0,,0.0,,,
CN1C(=O)CC(N2CCN(C(=O)CN3CCCC3)CC2)C1=O,CID3241858,,,0.0,,,,,,,,,,0.0,,,,
O=C(Nc1cccc(OC(=O)c2ccco2)c1)c1ccco1,CID3237618,,,,,,,,,,0.0,,,,,,0.0,
Cc1ccsc1C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1,CID2571741,,,,,,,,,,,,,,0.0,0.0,,
O=C(CSc1nc2c(sc3ccccc32)c(=O)n1CCO)NCC1CCCO1,CID3245290,,,0.0,,0.0,,,,,,,,,,,,
Cc1cc(C(=O)OCC(=O)N2CCCC2)c2ccccc2n1,CID2362281,,,,,,,,,,,0.0,,,0.0,0.0,,
O=C(CSc1cn(CCNC(=O)c2cccs2)c2ccccc12)NC1CCCCC1,CID4204315,,,,,,,,,,0.0,,,,,,,
O=C(c1ccccc1)N1CCn2c(nc3ccccc32)C1,CID801923,,,0.0,,,0.0,,,,,,,0.0,,0.0,,
CC(=O)c1ccc(NC(=O)CCSCCC(=O)Nc2ccc(C(C)=O)cc2)cc1,CID2168477,,,,,,,,,0.0,0.0,,,,,,,
Cc1cccc(C(=O)NC2CCN(CC(=O)N3CCOCC3)CC2)c1,CID644835,,,0.0,,,,,,,,,,0.0,,,,
Cc1cc(C(=O)COC(=O)C2=NN(c3ccccc3)C(=O)CC2)c(C)n1CC(F)(F)F,CID4875527,,,,,,,,,,,,,,0.0,,,
CN(C)c1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1,CID746147,,,0.0,0.0,,,0.0,0.0,,,,0.0,,,0.0,,0.0
CC1=C(C(=O)N2CCOCC2)C(c2cccs2)NC(=O)N1,CID2886417,,,,,,,,,,,,,0.0,,,0.0,
CCOc1cc(S(=O)(=O)N2CC=C(c3ccc(F)cc3)CC2)c(OCC)cc1-n1cnnn1,CID644830,0.0,,,0.0,,,0.0,,,0.0,,,,,0.0,0.0,
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2)no1,CID1245729,,,0.0,,0.0,,,,0.0,,0.0,,,0.0,0.0,,
Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cs1,CID1245720,,0.0,,,0.0,,0.0,,0.0,0.0,0.0,,0.0,,,0.0,
COc1ccccc1-n1cnc2cc(C(=O)NCC3CCCO3)ccc21,CID3244316,0.0,,,,0.0,,,,,,,,,,,,
COC(=O)c1ccc(CSc2nnc(CNC(=O)c3cccs3)o2)o1,CID3244310,,,,,0.0,,,,,,,,,,,,0.0
CC(C)n1c(=S)[nH]c2c1c(=O)[nH]c(=O)n2C,CID840403,,,,0.0,,,0.0,,,,,,0.0,,,,
Cc1ccc(C23OC(=O)C(C)(C)C2OC(=O)C3(C)C)cc1,CID2914114,,,,,,0.0,,,,,,,,0.0,,,
Cc1c(CNCc2cccs2)c(C(=O)O)c(C)n1Cc1ccccc1,CID3244319,0.0,,,,0.0,,,,,,,,,,,,
CC(C)(C)CN1CCNC(=O)C1CC(=O)NCCc1cnn(-c2ccccc2)c1,CID16192341,,,,,,,,,,,,,,,0.0,,
C=CCn1c(=O)c2ccccc2n2c(SCc3csc(-c4ccccc4)n3)nnc12,CID2368753,0.0,,,,,0.0,,,,,0.0,,0.0,,,,0.0
O=C(c1cnccn1)N1CCN(c2ccccc2)CC1,CID870819,,,,,,0.0,,,,,,,,,0.0,,
O=C(CSc1ncn[nH]1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1,CID2467951,,,,,,,,,0.0,0.0,,,,,,,
O=C(NCCCN1CCN(CCCNC(=O)c2ccc3c(c2)OCO3)CC1)c1ccc2c(c1)OCO2,CID2932826,,,,,,,0.0,,,,0.0,,,,,,
COC(=O)c1ccc(S(=O)(=O)N2C3CCC2CC(NC(=O)NC2CCCCC2)C3)cc1,CID650835,,,,,0.0,,,,,,0.0,,0.0,,,,0.0
C=C(C)C1Cc2c(C)nn(-c3cccc4ccccc34)c2C1,CID3741560,,,,,,,,,0.0,,,,,,,,
Cc1ccc(-n2c(C)cc(/C=c3\sc4nc5ccccc5n4c3=O)c2C)cc1,CID1363072,,,,,,,,,,0.0,,,,,,,
O=C(Nc1ccc(Oc2cccnc2)cc1)c1ccccc1F,CID804607,,,,,,,,,,,,0.0,,,,,
Cc1ccc(OCC(=O)NCCN2CCN(C(=O)COc3ccc(C)cc3)CC2)cc1,CID650311,0.0,0.0,0.0,,,,,,,,,0.0,,,,,0.0
CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1SC1CCCCC1,CID1486244,,,,,,,,,,,,,,0.0,,,
CCc1ccc(/C=C\C(=O)N2CCc3ccccc3C2)cc1,CID1747288,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(/N=C(\NN)c2ccc3ccccc3n2)cc1,CID2247934,,,,,,,,,,,,,,,0.0,,
Cc1ccc(CSc2nc3ccccc3c(=O)n2CCCC(=O)NCc2ccco2)cc1,CID3624387,,,,,,0.0,,,,,,,,,0.0,,
O=C(Cn1ncc(N2CCOCC2)c(Br)c1=O)c1ccc(Cl)cc1,CID1474920,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)c2c(c1)C1C=CCC1C(c1ccc(S(=O)(=O)N3CCOCC3)cc1)N2,CID2975162,,,,,,0.0,,,,,,,,,,,
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)OCC(=O)Nc1c(F)cccc1F)n2C,CID4028033,,,,,,,,,,,,,,0.0,,,
O=C1NC(=O)N(CCC2=CCCCC2)C(=O)/C1=C/NCc1cccnc1,CID5389861,,,0.0,,,,,,,,,,,,,0.0,
COc1ccc2c(c1)=C/C(=C1/N=C(c3ccccc3)ON1)C(=O)N=2,CID5389865,,,,,,,,0.0,,,,,,,,,
O=C(Oc1nsnc1N1CCOCC1)N(c1ccccc1)c1ccccc1,CID1180036,0.0,,,0.0,0.0,,,0.0,,,,,,,,0.0,
O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1,CID1747861,,,,,,,,,,,,0.0,,,,,
COCCn1c(-c2ccccc2)nc2c(c(=O)c3ccccc3n2C)c1=O,CID1963060,,,,,,,,,,,,,,0.0,,,
O=S(=O)(NCC1CCCO1)c1cnc(Cl)c(Cl)c1,CID4730887,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC(=O)COC(=O)CN2CSCC2=O)cc1C,CID2093684,,,,0.0,,,,0.0,,,,,,,,0.0,0.0
O=C1CC(C(=O)Nc2nccs2)C(c2ccccc2)O1,CID2925864,,0.0,0.0,,,,,,,0.0,,,,,,,
Cc1sc2nc(CN3CCOCC3)nc(Oc3ccc(NC(=O)c4ccco4)cc3)c2c1C,CID2649814,,,0.0,,,,,,,0.0,,,0.0,,,,0.0
CCCCSc1c(C)c2cc3c(cc2[nH]c1=O)OCO3,CID2942078,,,,,0.0,,0.0,,,,0.0,,,,,,
Cc1ccc(N2C(=O)CC3(CC4C=CC3C4)C2=O)cc1,CID659666,,,,,,,,,,0.0,,,,,,0.0,
O=C(NN=C(Cc1ccccc1)Cc1ccccc1)C1CC1,CID4175602,,,,,,,,,,,,,,,0.0,,
Cc1nc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2o1,CID1472994,,,,,,,,,,,,0.0,,,,,
Cc1ccc(S(=O)(=O)NC(=O)c2cc(C)n(CCCN3CCOCC3)c2C)cc1,CID2100740,,,0.0,,,,,,0.0,,,0.0,,,,,0.0
N#C/C(=C\c1ccccc1)c1n[nH]c(Cn2cncn2)n1,CID5906136,,,,,,,,,0.0,,,,,,,,
COCc1nnc(NC(=O)CC(c2ccccc2)c2ccccc2)s1,CID2932002,,,,,,0.0,,,,,,,,,,,
COC(=O)c1ccc(-c2nc(-c3cccs3)no2)cc1,CID718849,0.0,,,,,0.0,,,,,0.0,0.0,,,,,
COc1ccc(N2C(C)=CS/C2=C(/C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc1,CID2320017,0.0,,0.0,,,,,,,,,,,,,0.0,
CC(=O)OCC1OC(Sc2cccc3cccnc23)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,CID12004593,,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2ccc(/C=C3/C(=N)N4C=CSC4=NC3=O)o2)c([N+](=O)[O-])c1,CID12004597,,,,,,,,,,,,,,,0.0,,
O=[N+]([O-])c1cc(CN2CCCC2)c2cccnc2c1O,CID690617,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C1Cc2cc3c(cc2C1=O)CC(C(=O)OCC)C3=O,CID654413,,,,,,,,,,,,,0.0,,,,
COc1ccc(-n2c(SCC(=O)Nc3ccc4c(c3)OCO4)nnc2C(C)N2CCCCC2)cc1,CID2998841,0.0,,0.0,,,,,,,,,,,,,,
CC(C)n1cc(/C=C(\C#N)S(=O)(=O)c2ccccc2)c2ccccc21,CID1296011,,,,,,,0.0,0.0,,,,0.0,0.0,0.0,,,0.0
Cc1cnc(C(=O)OCC(=O)NC2CCCCCC2)cn1,CID2344975,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)nc(NC(=O)c2ccc(COc3ccccc3Cl)cc2)c1,CID1315623,,,,,,,,,,,,,,0.0,,,
O=C1N/C(=C\c2ccccc2)c2ccccc21,CID2185406,,,,,,,,,0.0,,0.0,,,,,0.0,
O=C1COc2ccc(OCc3ccc(F)cc3)cc21,CID664461,0.0,,,,,,,,,,0.0,,,,,,
N#CC(C#N)=c1ccc2c(c1)NC1(CCCCC1)N=2,CID657611,,,,0.0,,,,0.0,,,,0.0,,,,,
COc1cc(NC(=O)c2ccc3c(c2)OCO3)c2ncccc2c1,CID695392,,,0.0,,0.0,,0.0,,0.0,,,0.0,0.0,,,,0.0
O=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1ccccc1OCCOc1ccccc1,CID2460474,,,,,,,,,,,,,,,0.0,,
COc1ccc(C/C(C)=N/NC(=O)c2ccncc2)cc1,CID1224408,,,,,,,,,,,,,,,0.0,,
O=C1c2ccccc2C(=O)N1CSc1nnc2c3ccccc3n(CCc3ccccc3)c2n1,CID5494507,,,,,,,,,0.0,,,,,,,,
O=c1[nH]nc(SCc2nc3ccccc3s2)n1C1CC1,CID2519122,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)CNC(=O)c2ccco2)cc1,CID3211813,,,,,,,,,0.0,,,,,,,,
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COc1ccc(NC(=O)c2ccco2)cc1,CID2105553,,,,,,,,0.0,0.0,,,,,,,,
O=C(c1cnccn1)N1CCN(C/C=C/c2ccccc2)CC1,CID2105552,,0.0,,,,,,,,,,,,,,,
CC#CCOC(=O)c1c(C)nc2sc3c(c2c1N)CCC(O)C3,CID197690,,,,,,,,0.0,,,,,,,,,
O=C1Nc2cc(Cl)cnc2N2CCCC12,CID5309887,,,,,,,0.0,,,,,,,,,,0.0
O=C(Cn1cc2c(n1)CCCC2)NCc1ccccn1,CID5309885,,,,,,,,0.0,,,,,,,,,
COC(=O)c1sccc1-n1cccc1C(=O)N1CCOCC1,CID5185926,,,,,,0.0,,,,,,,,,,,
O=C(C1CCC(C(=O)N2CCCC2)CC1)N1CCCC1,CID2235527,,,,,,,0.0,,,,,,,,,,
O=C(c1ccc(CNc2c(N3CCCC3)c(=O)c2=O)cc1)N1CCN(C2CCCCC2)CC1,CID15945518,,,,,,,,,,,,,,,0.0,,
c1ccc(-c2cc(-c3nnc4n3N=C(c3ccc5ccccc5c3)CS4)[nH]n2)cc1,CID1400145,,,,,,,,,,,,,,0.0,,,
O=C(Cc1ccccc1)Nc1ccc(N2CCOCC2)cc1N1CCOCC1,CID2204449,,,,0.0,,,0.0,,0.0,0.0,,0.0,0.0,,,,
O=C(Nc1ccc2c(c1)OCCO2)c1ccc(CN2CCOCC2)cc1,CID646482,0.0,,,,,,0.0,0.0,,,,0.0,,,,,
O=C(CCCc1ccccc1)NCCCN1CCOCC1,CID2906693,0.0,0.0,,,,,,0.0,,,,,0.0,,,0.0,0.0
Cc1ccc(S(=O)(=O)N(CC(=O)N2CCOCC2)CC(=O)N2CCOCC2)cc1,CID2204445,,,,,,,,0.0,,,,,,,,,
N#Cc1ccc(-c2nnnn2-c2ccc3c(c2)OCO3)cc1,CID646480,,0.0,0.0,0.0,,,,,,0.0,,0.0,,,,,0.0
c1ccc(COc2ccc(Nc3ncnc4nc[nH]c34)cc2)cc1,CID2155032,0.0,,0.0,,,0.0,,0.0,,,,0.0,,,,,
CSc1nc(SCC(=O)NCc2ccco2)c2c3c(sc2n1)CN(C)CC3,CID663803,,,,,0.0,,,,,0.0,,,0.0,,,,
Cc1nn(-c2ccccc2)c2c1C(=O)NC(=O)C(C)(C)C2,CID657617,,0.0,0.0,,,0.0,0.0,,,,,,,,,,
COc1ccc(S(=O)(=O)N(CCN2CCOCC2)Cc2cc(OC)ccc2OC)cc1,CID665777,,,,,0.0,,,,,,0.0,,,,,0.0,
Cc1c(C(=O)Nc2ccc3c(c2)OCO3)sc2ncn(CC(=O)N3CC(C)CC(C)C3)c(=O)c12,CID4440926,,,,,,,,,,,,,,,0.0,,
O=C(NCCCNC1=NS(=O)(=O)c2ccccc21)c1ccc(S(=O)(=O)N2CCCCC2)cc1,CID2186553,,0.0,,,0.0,,,,0.0,0.0,0.0,,,,,0.0,0.0
Cc1ccc(C(=O)COC(=O)C2CC(=O)N(c3nc(-c4ccccc4)cs3)C2)cc1,CID11837796,,,,,,,,,,,,,,0.0,,,
N#Cc1cc2c(nc1SCc1cccnc1)CCCC2,CID648350,,0.0,,0.0,,,,,,,0.0,,0.0,,,,
CCCOc1ccc(S(=O)(=O)n2cc(Br)c(=O)[nH]c2=O)cc1,CID1565638,,,,,,,,,0.0,,,,,,,,
O=C(COc1ccccc1[N+](=O)[O-])N/N=C/C=C/c1ccco1,CID11957124,,,,,,,,,,,,0.0,,,,,
COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)/C(=C\c1cccs1)NC(=O)c1ccccc1,CID11957125,,,,,,0.0,,,,,,,,,,,
CC1(C(=O)O)CCC(C(=O)N2CCOCC2)C1(C)C,CID650861,,,0.0,0.0,,,,,0.0,0.0,,,,,,,
O=C(NC1CCS(=O)(=O)C1)C1CCCCN1S(=O)(=O)c1ccc(Cl)cc1,CID2998565,,,,,,,0.0,,,,,,0.0,,,,
c1coc(Cn2c(-c3ccco3)nc3ccccc32)c1,CID650866,0.0,0.0,,,,0.0,,0.0,,,,,,,,0.0,
Cn1c(=O)oc2ccc(C(=O)CSc3nnnn3-c3ccccc3)cc21,CID650869,,0.0,,,0.0,,,,,,,,0.0,,,0.0,
Cc1ccc2c(c1)c1c3n2CCN(C(=O)C2CC2)C3CCC1,CID3586268,,,,,,0.0,,,,,,,,,,,
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(=O)n(Cc2ccccc2)n1,CID2999616,0.0,,,,,,0.0,,0.0,,,,0.0,,,,
COc1cc(S(=O)(=O)Nc2ccc(C(=O)N3CCCC3)cc2)ccc1-n1cnnn1,CID647465,,,,,,,,,0.0,,,,,,,0.0,0.0
Cc1cc(C(=O)NCC(c2ccco2)N(C)C)no1,CID2999613,,0.0,,,,,0.0,,,,,0.0,,,,,
O=C1CCC/C1=c1\s/c(=C\c2cccnc2)c(=O)n1-c1ccccc1,CID2999610,,,0.0,,,,,,,,,,,,,,
Cc1cc(C(=O)CN2C(=O)NC(C)(c3cccc(Br)c3)C2=O)c(C)n1Cc1ccco1,CID2999619,,,,,,,0.0,,,,,,,,,0.0,0.0
CC1(C)CC(=O)C(=CNCCCN2CCOCC2)C(=O)C1,CID1824890,,,,,0.0,,,,,,,,,,,,
CCn1c(Cc2ccccc2)nnc1SCC(=O)NC1CC1,CID1451132,,,,,,,,,,,0.0,,,,,,
CN(C(=O)COc1nnc(-c2cccs2)c(-c2cccs2)n1)c1ccccc1,CID2999665,,0.0,0.0,0.0,0.0,,,,,,,,0.0,,,,0.0
CC(=O)Nc1ccc(S(=O)(=O)NC(CC(=O)NCCCN2CCOCC2)C(C)C)cc1,CID3239580,,,,,0.0,,,,,,,,,,,,
Cc1cccc(N2C(=O)/C(=C/NCCCN3CCOCC3)c3ccccc3C2=O)c1,CID5390074,,,0.0,,,,,,,,,,,,,,
O=S(=O)(c1cccc2nsnc12)N1CCc2ccccc2C1,CID3236855,0.0,,,0.0,,,,,,,,,,,,,
CCS(=O)(=O)N1CCCC(C(=O)NC2CCCC2)C1,CID3239584,0.0,,,,,,0.0,,,,,,0.0,0.0,,,
Cc1ccc(C)c(-n2c(CNC(=O)c3ccco3)nnc2SCC(=O)N2CCc3ccccc32)c1,CID3239587,0.0,,,0.0,,,,0.0,,,0.0,,,,,0.0,0.0
Cc1cc(C(=O)N2CCN(c3ncccn3)CC2)sc1-c1ccccc1,CID1247394,0.0,,,,,,0.0,0.0,,,,0.0,,,,0.0,
COc1ccc(CNC(=O)c2cccnc2Sc2ccc(Cl)cc2)cc1,CID5222138,,,,,,,,,,,,0.0,,,,,
c1cnc2ccc(C(c3nnnn3C3CCCC3)N3CCSCC3)cc2c1,CID3193518,,,,,,,,,,,0.0,,,,,,
CS(=O)(=O)N(CC(=O)NCc1ccccn1)Cc1ccc(Cl)cc1,CID2224507,0.0,0.0,0.0,0.0,0.0,,,,,,,,0.0,,,,
Cc1ccsc1/C=C1\Oc2cc(OCC(=O)c3ccccc3)ccc2C1=O,CID2024877,,,,,,,,,,,,,,0.0,,,
Cc1cc(-n2c(C)cc(C(=O)CN3C(=O)NC4(CCCCCC4)C3=O)c2C)no1,CID2578503,0.0,,0.0,,,,0.0,,,,0.0,,0.0,,,,
COC(=O)CNC(c1ccccc1)c1cc(C)ccc1NC(=O)CNC(=O)OCc1ccccc1,CID3527724,,,,,,,,,,,,0.0,,,,,
CCCCn1c(SCC(=O)Nc2cc(NC(=O)c3ccco3)ccc2C)nc2ccccc2c1=O,CID651051,0.0,,0.0,0.0,,,,0.0,,,0.0,,0.0,,,0.0,
O=S(=O)(CCc1nnc(-c2ccc(Br)cc2)o1)c1ccc(Cl)cc1,CID1216910,,,,,,,,,0.0,,,,,,,,
COc1ccc(-c2nc(NC(=O)c3cc(C(C)(C)C)nn3C)sc2C)cc1,CID649180,0.0,0.0,0.0,,0.0,0.0,0.0,,,,,0.0,,,,0.0,
Cc1ccc(S(=O)(=O)/N=C(/Nc2nc(C)cc(C)n2)N2CCOCC2)cc1,CID1557219,,,,0.0,,0.0,,,,,,,,,,0.0,
Nn1c(Cc2ccccc2F)nnc1SCn1nnc2ccccc2c1=O,CID2565318,,0.0,,,0.0,,,,,0.0,,,,,,,
O=C(CNc1ccccc1-c1ccccc1)NCc1ccccc1,CID2389179,,,,,,,,,,,,,,,0.0,,
O=C(CN1C(=O)CSC1=O)Nc1ccc(N2CCOCC2)cc1,CID649187,,,0.0,,,,,,,,,0.0,,0.0,,0.0,
CCn1c(SCC(N)=O)nnc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1,CID651311,,,0.0,,,,0.0,,0.0,0.0,0.0,,,0.0,,,
O=C(CCN1CCOCC1)NNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1,CID5766987,,,,,,,,,,,,,,,0.0,,
O=c1cc2ncc(-n3cc([N+](=O)[O-])cn3)cn2[nH]1,CID687122,,,,,,,,,,,,,,0.0,,,
O=C(CCS(=O)(=O)Cc1ccc(Cl)cc1)NCCc1ccccc1,CID4613734,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C)n1-n1cnc2sc3c(c2c1=O)CCC3,CID2308073,,0.0,0.0,,,,0.0,,,,,,0.0,,,,0.0
N#CCc1nnc2n1-c1ccccc1CCC2,CID867283,,,0.0,,,,,,,,,0.0,,,,,
O=[N+]([O-])c1ccc(-c2cnc(SC(c3ccccc3)c3ccccc3)[nH]2)cc1,CID1517476,,,,,,,,,,,,,,,0.0,,
COc1ccc(NC(=O)C2CC(=O)OC2(C)C)cc1,CID2941730,,0.0,0.0,,,,,,,,,,0.0,,,0.0,0.0
CC(C)c1ccc(OCC(=O)N(c2ccccn2)C2CCCCC2)cc1,CID2941733,,,,,,,,,,,,,,0.0,,,
CC1CCc2c(sc(NC(=O)c3ccc(Cn4cc(Br)cn4)o3)c2C(N)=O)C1,CID2941732,,,,,,,,,,,0.0,,,,,0.0,
CCC(Sc1nc2ccccc2c(=O)n1CCN1CCOCC1)C(=O)NCc1cccnc1,CID2937604,,,,,,,,,,,0.0,,0.0,,,,0.0
O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)NCc1ccc2c(c1)OCO2,CID2236092,0.0,,,0.0,,,,,,,,0.0,,0.0,0.0,,
COc1ccccc1NC(=S)NC1CCCCCC1,CID943140,,,,,,,,,,,,,,0.0,,,
Cc1ccc2nc(NCc3ccco3)c(/C=N/Cc3ccco3)c(=O)n2c1,CID1181793,0.0,,0.0,,,,0.0,0.0,,,0.0,0.0,,,0.0,0.0,
O=C(c1ccc(C(=O)N2CCN(c3ccccc3F)CC2)nc1)N1CCN(c2ccccc2F)CC1,CID3242896,,,,,,,,,,,,,,,,0.0,
CCN(Cc1ccccc1)C(=O)Cn1c(=O)n(CC(=O)NCc2ccco2)c(=O)c2sccc21,CID3242899,,,,,0.0,,,,,,,,,,,,0.0
O=C(C1CC2CCC1C2)N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID3242898,,,,0.0,,,,,,0.0,,,,,,,
Cc1[nH]c2ccc3c(ncn3CCC#N)c2c1C,CID658671,,0.0,,,,,,0.0,,,,,,,,,
O=C(NCc1ccccc1)C1C(=O)N(Cc2ccccc2)C(=O)C1C1(O)CCCC1,CID658694,,,,,,,,,,,,,,0.0,,,
C=C(C(=O)c1ccccc1)C(C)C(=C)C(=O)c1ccccc1,CID1917244,,,,,,,,,,,,,,0.0,,,
CC1CN(C(=O)c2cccc(C(=O)N3CC(C)OC(C)C3)c2)CC(C)O1,CID650042,,,,,,,,0.0,,,,,,,,,0.0
COc1ccc(C(=O)Cn2nnc(-c3cccs3)n2)cc1,CID650045,,0.0,,0.0,,,0.0,,,,,0.0,,,,0.0,
COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3)CC2)cc1,CID650044,,,0.0,,,,,0.0,,,,,,,,0.0,0.0
COc1cccc(C(c2nnnn2CCc2ccccc2)N2CCN(c3ccccc3)CC2)c1OC,CID650046,,,,,,,0.0,,,0.0,,,,,,,
CCOc1ccc(N2CC(=O)Nc3ccccc3NCC2=O)cc1,CID654114,0.0,,0.0,0.0,,0.0,,0.0,,,,0.0,0.0,,,,
Cc1noc(C)c1C(=O)OCC(=O)Nc1ccccc1C(=O)NC(C)c1ccccc1,CID2998975,,,,,,,,,0.0,,0.0,,0.0,,,,
COc1ccc(-c2nnc(SC3CCOC3=O)n2C2CCCCC2)cc1OC,CID2998974,0.0,0.0,0.0,,0.0,,,,,,,,0.0,,,,
Cc1cc(NC(=O)Cc2cn3ccsc3n2)n(-c2ccccc2)n1,CID2998977,0.0,0.0,0.0,,,,,0.0,,,,,,,,,
Cc1c(NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)c(=O)n(-c2ccccc2)n1C,CID3238213,,,,,,,,,,,,,0.0,,,0.0,0.0
Cn1c(C(=O)O)c(CC(=O)NCc2cccnc2)c2ccccc21,CID3238211,,,,,,0.0,,,,,,,0.0,,,,
COc1cc2c(cc1OC)C(C(=O)NCC1COc3ccccc3O1)C(c1cccnc1)N(C)C2=O,CID3238218,,,,,0.0,,,,,,,,,,,,
COc1ccc(C(=O)Nn2c(SCC(=O)N3CCC(C)CC3)nc3ccccc3c2=O)cc1,CID6616230,,,,,,,,,,,,,,0.0,,,
CN(CC(=O)Nc1cccnc1)S(=O)(=O)c1cc(Cl)ccc1Cl,CID1300520,,,,,,,,,,,,,,,,,0.0
O=S(=O)(Nc1ccc2c(c1)OCCO2)c1cnc[nH]1,CID3239538,,,,,,,,,,0.0,,,,,,0.0,0.0
CSc1nc2ccsc2c(=O)n1-c1cccnc1,CID4554611,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)Nc2cccnc2)cc1C(=O)Nc1cccnc1,CID657319,,,,0.0,,,0.0,0.0,,0.0,,,,,,,
Cc1cc2nc(SCCOC(=O)Nc3ccc(Cl)cc3)nc(C)c2cc1C,CID1916593,,,,,,,,,,,,0.0,,,0.0,,
COc1ccccc1S(=O)Cc1ccc(C(=O)NC2CCCC2)o1,CID5309672,,,,,,,,0.0,,,,,,,,,
COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2nnnn2C)cc1,CID2094416,,,0.0,0.0,0.0,,,0.0,,,0.0,,,,0.0,0.0,
CCNC(=S)N(Cc1ccco1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3,CID3176093,,,,,,,,,,,,,,0.0,,,
COc1ccc(C/C(N)=N/n2cnnc2)cc1Cl,CID5752531,,0.0,,,,,,,,,,0.0,,,0.0,,
CCc1c(C)[nH]c(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)nc1=O,CID1422192,,,,,,0.0,,,,,,,,,,,
CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(N3C(=O)C4CCCCC4C3=O)c2)cc1,CID2925595,,,,,,0.0,,,,,,0.0,,,,,
CCOC(=O)C1CCN(S(=O)(=O)C(F)(F)c2nc3ccccc3s2)CC1,CID2316940,,,,,0.0,,,,,,,,,,,,
COCCN(CC(=O)NCc1ccc2c(c1)OCO2)C(=O)CCC(=O)Nc1nccs1,CID3205751,,,,,,,,,0.0,,,,,,,,
O=C(CSc1nc(-c2ccc(F)cc2)cs1)N1CCOCC1,CID1301658,,,,0.0,0.0,,0.0,,,,,,0.0,,,,
CC1OC(Nc2cccc3ccccc23)C(O)C(O)C1O,CID2832907,,,,,,,,,,0.0,,,,,,,
CCOC(=O)N1CCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]c2C)CC1,CID3236441,,,0.0,,,,,,,,,,,,,,
CCN1C=C(Cc2cccs2)C2=C(C1)C(c1cccs1)C(C#N)=C(N)O2,CID3236443,,,,,0.0,,,,,0.0,,,,,,,
Cc1nc2cc(N3CCCCC3)c(NC(=O)c3ccncc3)cc2c(=O)n1Cc1ccccc1,CID1454577,,,,,,,,,,,,0.0,,,,,
Nc1nonc1C(=O)NCC1CCCO1,CID551245,,0.0,,,,,,,,,,,,,,,
COc1ccc(-c2nc(NC(=O)C3CCN(c4nc5ccccc5o4)CC3)sc2C)cc1,CID2547835,0.0,,,,0.0,,,,,0.0,,,,,,0.0,0.0
Nc1ccnn1Cc1cccnc1,CID1096899,,0.0,,,,,,0.0,,0.0,,0.0,,0.0,,,
CC1(C)Cc2ccccc2-c2n[nH]c(=S)n21,CID870599,,,,,,,,,,,0.0,,,,,,0.0
CC1(C)C2(C#N)C(N)=NC3(OCCO3)C12C#N,CID3791476,,,,,,,,,,0.0,,,,,,,
COc1ccc(/C=C/c2nc3cc(-c4ccccc4)ccc3o2)cc1O,CID6224045,,,,,,,,,,,,,,0.0,,,
COc1ccc(C2NC(=S)N(c3ccccc3)C(C)=C2C(=O)Nc2ccccc2)cc1,CID3536394,,,,,,0.0,,,,,,,,,,,
CC(C)SCC(=O)Nc1ncc2c(n1)-c1ccccc1CC2,CID1479381,,,,,,,,,,,,,,0.0,,,
Cc1n[nH]c(C)c1-c1nc2ccccc2[nH]1,CID2305032,,0.0,,0.0,,,,,,,0.0,,,0.0,,,
COc1ccc(CC(=O)Nc2ccc3c(c2)CCC3)cc1S(=O)(=O)N1CCOCC1,CID2093949,,,,,0.0,,,0.0,,,,,,,,0.0,
COc1cccc2sc(Nc3nnc(-c4cccs4)o3)nc12,CID3237799,0.0,,,0.0,0.0,0.0,0.0,,0.0,,0.0,,,,,,
COc1ccc(C(=O)NCC(=O)OCC(=O)N2CCc3ccccc32)cc1,CID2435216,,,,,,,,,,,,,,0.0,0.0,,
CCOC(=O)Cn1c(=O)n(Cc2ccco2)c(=O)c2ccc(C(=O)NCCc3ccccc3)cc21,CID3237797,,,0.0,,,,0.0,0.0,0.0,,,0.0,,,,,
CC(CNC(=O)C1CCCCC1)NC(=O)C1CCCCC1,CID2921928,,,,,,,,,,,,,0.0,,,,0.0
O=C(Nc1cc(N2CCCCC2)ncn1)c1ccccc1,CID1540596,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccc2c(c1)OCO2)c1ccc[n+]([O-])c1,CID2434567,,,,,,,,,,0.0,,0.0,,,,,
Cc1nnc2c3ccccc3c(-c3cccc4ccccc34)nn12,CID2360769,,,,,,0.0,,,,,,0.0,,,,,
O=C(Oc1ccnc2cc(Cl)ccc12)N1CCCCCC1,CID2928644,,,0.0,,,,,,,0.0,,,0.0,0.0,,,0.0
O=C(COc1ccccc1-c1ccccc1)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1,CID2559861,,,,,,,,,,,,0.0,,,,,
CCCN1C(=O)COc2ccc(C(=O)c3ccccc3C(=O)O)cc21,CID1480548,,,,,,,,,,,,,,0.0,,,
O=C(OCCN1C(=O)c2ccccc2C1=O)c1cc2ccccc2o1,CID730704,,,,,,0.0,0.0,0.0,,,,,0.0,,0.0,0.0,
COc1ccc(C(=O)CC(c2ccccc2)C2C(=O)CCCC2=O)cc1,CID6618783,,,,,,0.0,,,,,,,,,,,
O=C(NC1CCCCC1)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCCC1,CID1138152,,,,,,,,,,,,0.0,,,,,
O=C(Nc1ccc(CN2CCCCC2)cc1)c1ccc2c(c1)OCO2,CID959473,0.0,,,,,,,,0.0,,,0.0,,,,,
CCOC(=O)N1CCN(C(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)CC1,CID2968713,0.0,,0.0,,0.0,,0.0,0.0,0.0,0.0,,,,,,,
Cc1ccc(S(=O)(=O)Nc2ccc3ncccc3c2)cc1,CID268975,,,,,,,,0.0,0.0,,,0.0,,,,,
O=[N+]([O-])c1ccc(Cl)cc1NCCOc1cccc2ccccc12,CID2866458,,,,,,0.0,,,,,,,,,,,
O=[N+]([O-])c1ccc(NCCCN2CCOCC2)c2ncccc12,CID2870896,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)n2c(SCC(=O)N(CC(C)C)c3c(N)n(CC(C)C)c(=O)[nH]c3=O)nnc2n1,CID2116689,,,,,,,,,,,,,,,0.0,,
O=c1c2ccccc2nnn1CSc1ncnc2ccccc12,CID2362176,,,,0.0,0.0,,,,,,,,,,,0.0,
CCOC(=O)N1CCN(c2nc(C)nc3c2cnn3CCc2ccccc2)CC1,CID993519,,,,,,,,,,,,,,0.0,,,
CN(NC(=S)Nc1ccc(OC(F)F)cc1)C(=S)Nc1ccc(OC(F)F)cc1,CID2368158,,,,,,,,,,,,,,0.0,,,
CC(C)=CCC(C)(C)C1OCCN1C(=O)c1ccccc1,CID2839830,,0.0,,,,,,0.0,0.0,,,,0.0,,0.0,,0.0
N#Cc1cc2ccccc2nc1SCc1cccnc1,CID644883,,,,0.0,,,0.0,,,,,,0.0,,0.0,,0.0
O=C(CC1CC2CCC1C2)OCC(=O)c1c[nH]c2ccccc12,CID3479912,,,,,,0.0,,,,,,,,,,,
CN(CCc1ccccn1)C(=O)CCNC(=O)Cn1cnc2ccccc2c1=O,CID3240027,,,,,,,,0.0,,,,,,,,,
O=C(CN1C(=O)CC(c2ccco2)Sc2ccccc21)Nc1ccc2c(c1)OCCO2,CID3240022,,,0.0,,0.0,,,,,,,,,,,,
Cc1ccc(C)c(C(=O)CSc2nnnn2-c2cccnc2)c1,CID644886,,0.0,,,0.0,,,0.0,,0.0,,,0.0,,,,
Cc1cc(=O)nc(Cc2ccc(OC(C)C)cc2)[nH]1,CID815481,,,,0.0,0.0,,,,,,,0.0,0.0,,,,
O=C(NCC1CCCO1)C1c2ccccc2C(=O)N1C1CCCCCC1,CID3240029,,0.0,,,0.0,,,0.0,,0.0,,,0.0,,,,
C=CCn1c(N)c(C(=O)N2CCOCC2)sc1=S,CID890543,,,,,,,,,,0.0,,,0.0,,,,
Cc1cc(C)n(Cc2ccccc2)c(=O)c1S(=O)(=O)c1ccccc1,CID1487012,,,,,,,,,,,,,,0.0,,,
COc1ccccc1NC(=O)N(c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)C1CCCC1,CID2121679,,,0.0,,,,0.0,,,,,,,,,0.0,0.0
COc1ccc(N(C)C(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1,CID1732274,,,,,,0.0,,,,,,,,,,,
CC1NC(=O)NC1CCCCCC(=O)NCCc1ccccc1,CID2974150,,,,,,,0.0,,,,,,,,,0.0,
C/C(CC(=O)NCc1ccco1)=N\NC(=O)Cc1cccc2ccccc12,CID3101322,,,,,,0.0,,,,,,0.0,,,,,
COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)C1,CID923207,,,,0.0,,,0.0,,0.0,,,,0.0,,0.0,0.0,
Cc1cn(C2OC(COC(=O)c3ccccc3)C(O)C2O)c(=O)[nH]c1=O,CID2998527,,,,,,,,,,,,0.0,,,,,
CC(OC(=O)CNC(=O)c1ccc2c(c1)OCO2)C(=O)NCCC1=CCCCC1,CID2998524,,,,0.0,,,,,,,0.0,,,,,,
COC(=O)c1ccccc1NC(=O)NC1CCCC1,CID6466831,,,,,,,,,,,,,,,0.0,,
CCOC(=O)N1CCN(C(=O)CN(C)S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)CC1,CID3240682,,,0.0,,,,,,,,,,,,,,
Cc1nc2c(sc3nc4c(cc32)COC(C)(C)C4)c(=O)o1,CID787569,,,,,,,,,,,,0.0,,,,,
Cn1cccc1/C=C1\C(=O)NC(=O)N(CCC2=CCCCC2)C1=O,CID5419454,,,,,,,,,,,,,,0.0,,,
O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)N1CCOCC1,CID660184,,,0.0,,,,,,,,0.0,,,,,0.0,0.0
CCCc1nnc(NC(=O)COC(=O)c2cc(C)nc3ccccc23)s1,CID3149828,,,,,,0.0,,,,,,,,,,,
c1ccc(Cc2nn3c(Cn4cnc5ccccc54)nnc3s2)cc1,CID848750,0.0,0.0,0.0,,,,,,,,,,,,,0.0,0.0
Cc1ccc(CN2C(=O)CSC2c2cn(-c3ccccc3)nc2-c2ccccc2)cc1,CID2887261,,,,,,0.0,,,,,,,,,,,
FC(F)C(F)(F)C1=CC(c2cccs2)=NCCN1,CID744465,,,,,,,,,0.0,,,,,,,,0.0
O=C1c2ccccc2C(=O)N1c1cccc2cccnc12,CID615346,,,,,,,,,,,,,,0.0,0.0,,
NC1=NON/C1=C(/N=O)Nc1ccccc1,CID5367120,,,,,,,,,,,,,0.0,,,,
c1ccc(COc2ccc(-c3csnn3)cc2)cc1,CID849400,,,,,,0.0,,,,,,,,,,,
COc1ccc(C(=O)CSc2nc(SC)ns2)cc1OC,CID1257362,,,,,0.0,,0.0,,0.0,,,,0.0,0.0,0.0,,
O=C(Cc1ccccc1)N1CCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1,CID1075551,,,0.0,,,,,,,,,0.0,0.0,,,,
CCn1c(COc2c(C)cccc2C)nnc1SCc1nc(=O)c2ccccc2[nH]1,CID1250088,,,,,,,,,,,,,,,0.0,,
Cc1nnc(NC(=O)C2=CC3=NC(C4CC4)CC(C(F)(F)F)N3N2)s1,CID5770891,,,,,,,,,,,,0.0,,,,,
Cc1cc(NC(CC(C)C)C(=O)O)nc(Cc2ccccc2)n1,CID662761,,0.0,,0.0,0.0,,,0.0,,,,,,,0.0,,0.0
Cc1cc(C(=O)N/N=C/c2cccc(OC(=O)c3ccco3)c2)n[nH]1,CID833771,,,,,,,,,,,,0.0,,,,,
c1coc(-c2nnc3sc(-c4cccs4)nn23)c1,CID662768,0.0,0.0,,,0.0,,0.0,,,,,,,0.0,0.0,,
O=C(c1ccc(Cl)cc1)c1ccc(OCC(=O)N2CCOCC2)cc1,CID2527180,,0.0,,,,,,,,,,,,,,,0.0
Cc1cc(C=C2C(=O)NC(=S)NC2=O)c(C)n1-c1ccc2c(c1)OCO2,CID987999,,,,,,,,,,,,,,0.0,0.0,,
O=C(NCc1ccco1)C(c1ccco1)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21,CID3206178,,,,,,,,,0.0,,,,,,,,
Cc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)N1CCCc2ccccc21,CID2083748,0.0,,,,,0.0,,,,,,,0.0,,0.0,0.0,
COC(=O)c1sccc1NC(=O)CCC1CCCC1,CID896703,,,,,,,,,,,,,,0.0,,,
COc1ccccc1OCC(=O)NC1CCCCCC1,CID800921,,,0.0,,,,0.0,,,,,0.0,,,,0.0,
COCCn1c(SC2CCOC2=O)nc2ccccc2c1=O,CID4781049,,,,,,,,,,,,,,0.0,,,
CN(C)C(CNc1ncnc2sc3c(c12)CCCC3)c1ccco1,CID4781042,,,,,,,,,,,,,,,0.0,,
CN(C(=O)c1ccncc1)c1nnc(-c2ccncc2)s1,CID645982,,0.0,,0.0,0.0,,,,,,,,,,,0.0,
OC(CN1CCN(c2ccccc2)CC1)Cn1c2ccccc2c2ccccc21,CID2899333,,,,,,,,,,,,,,0.0,,,
O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1ccc(-c2nnc3n2CCCCC3)cc1,CID2440088,,,,,,,,,,0.0,,0.0,,,,,
O=C(/N=C(/Nc1ccccc1)N1CCOCC1)Nc1ccccc1,CID9567514,,,0.0,,,,,0.0,,,0.0,,,,,,
O=C(CN1CCOCC1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1,CID646094,,,0.0,0.0,0.0,,,,0.0,0.0,,,,0.0,,0.0,
O=C(Cn1ccs/c1=N\C(=O)c1ccco1)c1ccccc1,CID646097,0.0,0.0,,,,0.0,,,,,,,,,,,
COC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1cc(C)on1,CID1245855,,,,0.0,0.0,,,,0.0,0.0,,,,0.0,,,
COc1cc2c(cc1OC)CN(C(=S)NC(=O)c1ccccc1)CC2,CID1072696,,,,,,,,,,,,,,,0.0,,
CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1cc(=O)n2ccsc2n1,CID2114133,,,,,,,,,,,,,,0.0,,,
Cc1cccc2cc(/C=N/NC(=O)CN3CCOCC3)c(Cl)nc12,CID761997,,,,,,0.0,,,,,,,,,0.0,,
COC(=O)c1ccc(COc2ccc(C3C4=C(CCCC4=O)N=C4ONC(C)=C43)cc2)cc1,CID5742539,,,,,,,,0.0,,,,,,,,,0.0
N#CCCn1c(SCC(=O)Nc2ccc(N3CCOCC3)cc2)nc2ccccc21,CID4780710,,,,,,,,,,,,,,0.0,,,
O=C(c1cccs1)c1cn(CC(=O)N2CCc3ccccc3C2)c2ccccc12,CID2203239,0.0,,0.0,,0.0,,,0.0,0.0,,,,,,,,
O=C1OCCC1Sc1nnc(-c2cccs2)n1Cc1ccccc1,CID2997978,0.0,0.0,0.0,0.0,,,0.0,,,,,,,,,,
CCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc3c(c1)OCCO3)n2CCN1CCOCC1,CID2997974,,,0.0,,,,,,,,,,,,,,
O=C(CNC(=O)c1ccco1)OC(C(=O)c1ccccc1)c1ccccc1,CID2997975,,,,,,,,0.0,,,,,0.0,,0.0,,
Cc1cc(C(=O)COC(=O)Cn2c(C(F)(F)F)nc3ccccc32)c(C)n1Cc1ccco1,CID2997977,,,,,0.0,,,,,,,,,,,,
CC(C)C(NC(=O)OCc1ccccc1)C(=O)OCC(=O)NCc1ccco1,CID2997971,,,,,,,,,,,,0.0,,,,,
CN1CCN(c2ccc(Cl)cc2NC(=O)C2COc3ccccc3O2)CC1,CID2997972,,,,,,,,,,,,,0.0,,,,0.0
O=C(OCCOCCNC1=NS(=O)(=O)c2ccccc21)c1ccncc1,CID646671,,0.0,,0.0,,,,0.0,0.0,,,,0.0,,,,0.0
O=C(Nc1nnc(SCc2ccc(F)cc2)s1)C1CC(=O)N(c2ccc3c(c2)OCCO3)C1,CID4332506,,,,,,,,,,,,,,,0.0,,
O=C(NCc1ccccc1)NC1(C(=O)Nc2ccc3c(c2)OCCO3)CCCCC1,CID646675,0.0,,0.0,,,,,,0.0,,,0.0,,,,0.0,
O=C(CSc1nnnn1Cc1ccccc1)Nc1ccc2c(c1)OCCO2,CID646674,,0.0,0.0,,,0.0,0.0,,,,0.0,0.0,0.0,,,,
NC(=O)c1nsc(C(=O)N(CCc2ccccc2)C(C(=O)NC2CCCC2)c2ccco2)c1N,CID646676,,,,,0.0,,,,,,,,,,,0.0,
O=C(Nc1ccc(Cl)cn1)c1ccc(OCc2ccccc2)cc1,CID875547,,,,,,0.0,,,,,,,,,,,
O=C(NCCCN1CCCC1)c1cccc(N2CCCC2=O)c1,CID3241523,,0.0,,,,,0.0,,,,,0.0,,,,,
O=C(CCc1ccccc1)n1nc(-c2ccccc2)nc1NCc1ccco1,CID1298128,,0.0,0.0,,,,0.0,,,,,0.0,,,0.0,,
O=C1C=CC(=C(S)N2CCCCCC2)C=C1,CID5428557,,,,,,0.0,,,,,,,,,,,
O=C(NC1CCCCCC1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1,CID5308846,,,,,,,,0.0,,,,,,,0.0,,
CC(C)=Cc1oc2ccc([N+](=O)[O-])cc2c1N1CCOCC1,CID2875733,,,,,,,,,,,,,,0.0,0.0,,
Cc1nn2c(-c3ccccc3)c(-c3ccccc3)[nH]c2nc1=O,CID657556,0.0,0.0,0.0,0.0,,,,,,,0.0,,0.0,,,,
COC1(OC)C(/C=C\c2ccc(Cl)cc2)C(C#N)(C#N)C1(OC)OC,CID6018667,,,,,,,,,,0.0,,,,,,,
COc1ccc(NC(=O)CSc2nnc(C3CC3)n2-c2ccccc2)cc1,CID2060554,,,,,,0.0,,,,,0.0,,,,,,
COCCNC(=O)C(c1cccs1)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21,CID3212003,,,,,,,,,,,0.0,0.0,,,,,
CCCn1c(SCC(=O)NC23CC4CC(CC(C4)C2)C3)n[nH]c1=O,CID7455842,,,,,,,,,,0.0,,,,,,,
CSc1nsc(SCC(=O)Nc2ccccn2)n1,CID666971,,,0.0,,0.0,,,,,,,,,,,0.0,
c1ccc(-c2ccc(C(c3ccccc3)n3ccnc3)cc2)cc1,CID2378,,,,0.0,,,,,,,0.0,,,,,,
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(N3CCCC3)c(C)c2)cc1,CID2384174,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C2c3sc(=O)[nH]c3SC3C(=O)NC(=O)C32)cc1,CID2999796,,,,,,,,,,0.0,,,,,,,
O=C(NCC1COc2ccccc2O1)Nc1ccccc1F,CID2999797,,,,,,,,0.0,,,,,,,,0.0,
CCOC(=O)C1=c2/c(=C/c3ccccc3OC)c(N)c(C#N)n2C(=O)C(c2ccccc2OC)S1,CID2967554,,,,,,0.0,,,,,0.0,,,,,,
O=C1CCCN1CCC1CCN(C(=O)Nc2ccccc2)CC1,CID972983,0.0,,,,,,,,,,,,,,,,
O=C(NCc1ccccc1)c1cnsn1,CID972984,,0.0,0.0,0.0,,,,,,0.0,,,,,,,0.0
O=C(CCS(=O)(=O)c1ccc(Br)s1)NCc1ccc2c(c1)OCO2,CID3238246,,,,,,,,,0.0,,,,,,,,
CCn1/c(=N/C(=O)CSCC(=O)Nc2nccs2)sc2ccccc21,CID3239639,,,0.0,,0.0,,,,,,,,,,,,
c1ccc2c(CNCCN3CCOCC3)cccc2c1,CID665252,,,,0.0,,,0.0,,,,,,,,,,
FC(F)(F)c1cccc(Cn2nnnc2-c2cc(Cl)cc(Cl)c2)c1,CID1490188,,,,,,,,,,,,0.0,,,,,
COc1ccc(-n2c(C)cc(C(=O)COc3ccc(-n4cnnn4)cc3)c2C)cc1,CID2112833,0.0,,0.0,,,,0.0,,,,,,0.0,,,,
Cc1ccc(CNC(=O)CSc2ccsc2[N+](=O)[O-])cc1,CID4232715,,,,,,,,,,,,,,0.0,,,
Cc1cccc(C)c1OCC(=O)OCC(=O)C(C#N)=C1Nc2ccccc2N1,CID5681629,,,,,,,,,,,,,,,0.0,,
O=C(CN(C(=O)CCNC(=O)c1ccco1)c1ccccc1)NC1CCCC1,CID647999,0.0,,0.0,,,,0.0,0.0,0.0,,,0.0,,0.0,,,0.0
CCOC(=O)C1C(=O)N=C2Nc3ccccc3N2C1C(C)C,CID5301935,,0.0,0.0,,,,,,,,,,,,,,
Cc1ccc(C)c(OCc2nnc(SCC(=O)NC(=O)NCc3ccco3)o2)c1,CID2443340,,,,,,,,,,,,,,0.0,,,
O=C(Cn1cnc2ccccc2c1=O)c1c[nH]c2ccccc12,CID2434011,,0.0,,0.0,0.0,,,,0.0,,0.0,,0.0,,0.0,,
OC(CN1CCOCC1)C12CC3CC(CC(C3)C1)C2,CID2853413,,,,,,,,,,0.0,,,0.0,,,,
Cc1nn(C)c(C)c1CN(C)C(=O)C1=CNN2C1=NC(c1ccccc1)CC2C(F)(F)F,CID5767152,,,,,,,,,,,,0.0,,,,,
O=S(=O)(c1ccc2ccccc2c1)N1CCCOC1,CID652369,,,,,,,,0.0,0.0,,,0.0,,,,,
O=C(CCn1c(=O)oc2ccccc21)n1c(=O)oc2ccccc21,CID652366,,0.0,0.0,,,,0.0,,,,,,,,,,
Cn1nc(C(=O)N2CCCC2)c2ccccc2c1=O,CID970755,,,0.0,,,,,,,,,,,,,,
O=C(CC1C(=O)OCN1C(=O)OCc1ccccc1)OCC(=O)c1ccccc1,CID652362,,,0.0,,,,,0.0,,,,,,,0.0,,
CN1CCN(C(=O)c2ccccc2NC(=O)Cc2ccccc2)CC1,CID673371,,,0.0,,,,,0.0,,,,,,,,,0.0
CC(=O)OCCCNc1cc(SCc2ccco2)c2nonc2c1[N+](=O)[O-],CID12005315,,,,,,,,,,,,,,,0.0,,
CC(C)CN1C(=O)c2ccc(C(=O)Nc3ccncc3)cc2C1=O,CID973290,,0.0,,,0.0,0.0,,,0.0,,,,0.0,,,,
O=C(NC1CCCCC1)N1CCc2ccccc21,CID707165,,,,0.0,0.0,,,0.0,,0.0,,,,,,0.0,
O=C(COc1ncnc2ccccc12)N1CCN(c2ccccc2)CC1,CID2480964,,,,,,,,,,,,,,,0.0,,
Cc1ccc(-n2c(C3CC3c3ccc(Cl)cc3)n[nH]c2=S)cc1,CID4744972,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C(=O)O/N=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1,CID3794420,,,,,,,,,,,,0.0,,,,,
O=C(CN(C(=O)Cn1nnc(-c2ccccc2F)n1)c1cccc2c1CCCC2)NCc1ccccc1,CID1143706,,,,,,,,,,,,0.0,,,,,
CSC1=NCCN1C(=O)Cc1cccs1,CID4058355,,,,0.0,,,,,,,0.0,,,,,,
CCOc1ncccc1C(=O)Oc1ccc2c(c1)OCO2,CID2997563,,,,,,,,0.0,0.0,0.0,,,,,,,
O=C1CCCC/C1=C\Nc1ccc(Cl)cn1,CID2997562,,,,,,,,,,,,,,,,,0.0
O=C(OCc1nc2ccc(Cl)cc2n1CCO)c1ccc2c(c1)OCO2,CID2997560,,,0.0,0.0,,,0.0,,,,,,0.0,,,,0.0
O=C(CCCSc1nc2ccccc2[nH]1)NCc1ccco1,CID2998593,,0.0,0.0,,0.0,,0.0,0.0,,,,,,,,0.0,
CC1CCCC(C)N1C(=O)Cn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nc2ccccc21,CID655630,0.0,,0.0,,0.0,,,,,,,,,,,,0.0
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCOCC1)n2CC(O)COc1ccccc1,CID655637,,,0.0,,,,0.0,,,,,,,,,,0.0
Cc1sc2nc(C3CC3)nc(SCC(=O)NCc3ccco3)c2c1C,CID655638,0.0,0.0,0.0,0.0,0.0,0.0,,,0.0,0.0,,,,0.0,,0.0,
CCOc1ccc(C(C)=O)cc1CN1C(=O)C(=O)N(CC)C1=O,CID2518122,,,,,,,,,,,,,,,0.0,,
c1cc(Nc2ncnc3sccc23)cc(-c2nnc3n2CCCCC3)c1,CID2518125,0.0,,,,0.0,,,,,,0.0,,,,,0.0,
COc1cc2c(cc1OC)C(C)N(C(=O)CCN1C(=O)C3C4C=CC(C4)C3C1=O)CC2,CID3242911,,,,,,,,0.0,,0.0,,,,,,,
CCOc1ccc(-c2[nH]nc3c2C(c2ccc4c(c2)OCO4)C(C#N)=C(N)O3)cc1OC,CID3242915,0.0,,,,,,,,,,,,,,,,0.0
O=C(c1ccco1)N1CCN(C(=O)C2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)CC1,CID3242917,,,,,,,,,,,,,,,,0.0,
COc1ccccc1CNC(=O)c1cc2c(s1)CS(=O)(=O)C2,CID3242919,,,,,0.0,,,,,,,,,,,,
CC(NC(=O)CN1CCN(Cc2ccc(Cl)cc2)C1=O)c1ccc2c(c1)OCCO2,CID5308469,0.0,,,,,,,,0.0,,,,,,0.0,0.0,
O=C(Nc1nccs1)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1,CID5308468,,0.0,,0.0,,,,,,,,,,,,0.0,
O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1C(=O)O,CID3130128,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCC(O)Cn3nc(C)nc3C)cc12,CID3829191,0.0,,,,0.0,,,,,,,,,,,,
CC(Nc1nc(N2CCN(S(C)(=O)=O)CC2)nc2ccccc12)c1ccccc1,CID2954542,0.0,,0.0,0.0,,,,,,,,,,,,,0.0
O=S1(=O)CC=C(CSc2nc3ccccc3[nH]2)C1,CID603360,,,0.0,,,0.0,0.0,,,,0.0,,,,,,
CCCCOc1ccc(/C=C/C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1OCC,CID2395610,,,,,,,,,,,,,,0.0,,,
O=C(c1cc(F)ccc1F)C1CCCN(C(=O)c2ccco2)C1,CID16191233,,,,,,,,,,,,,,0.0,,,
O=C(c1cc(F)ccc1F)C1CCCN(C(=O)CSc2ccccn2)C1,CID16191231,,,,,,,,,,,,,,,0.0,,
CCNC(=O)CC1SC(N/N=C/C=C/c2ccccc2)=NC1=O,CID9601196,,,,,,0.0,,,,,,,,,,,
COc1ccc(CCn2c(=O)[nH]c3cc(C(=O)NCCc4ccccc4)ccc3c2=O)cc1OC,CID3493584,,,,,,0.0,,,,,,,,,,,
CCOC(=O)C1=C(C)S/C(=C\N(C)C)C1=O,CID2265795,,,,0.0,0.0,,0.0,,,,,0.0,,,,,
Cc1cc(C)n(C(=O)CNC(=O)c2ccco2)n1,CID647271,,,,0.0,,,,,,,0.0,,,,0.0,,
Nc1nc(NCc2ccccc2)nc(Nc2cccc(F)c2)c1[N+](=O)[O-],CID4358416,,,,,,,,,,,,,,0.0,,,
CN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1,CID407339,,,,,,,,,,,,,,,0.0,,
CCCCC(CC)C1OCC(CN2CCCC2)O1,CID2925416,,,,,,0.0,,,,,,,,,,,
COCCn1nnnc1C(C(C)C)N(Cc1cccnc1)Cc1cc2cc(OC)ccc2[nH]c1=O,CID653540,,,,,,,,,,0.0,,,,,,,
Cc1ccc(S(=O)(=O)CC(=O)N2CCCC2)cc1,CID975432,,,,,,,,0.0,0.0,,,0.0,,0.0,,,
Brc1ccc(NCc2cccc3ccccc23)nc1,CID975433,,,,,,,,,,,,0.0,,,,,
Cc1ccc(S(=O)(=O)N2C(=O)CCC2C(=O)NCc2ccco2)cc1,CID2957994,,,,0.0,,,,,,,,,0.0,,,0.0,
Cc1ccc(S(=O)(=O)N(CCC#N)CCN2CCCC2)cc1,CID1713379,,0.0,,0.0,,,,0.0,,,,,,,,0.0,
Cc1ccc2c(c1)N(CC(=O)N1CCc3ccccc3C1)C(=O)CO2,CID653547,,,,,,,0.0,,,,,,0.0,,,,
CN(Cc1ccccc1)C(=O)CCS(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C,CID5309738,,,0.0,0.0,,,,,,,,,,,,0.0,
COc1ccc(C(=O)Nc2n[nH]c(-c3ccncc3)n2)cc1,CID1512090,,,,,,,,,,,,,,,0.0,,
CCOc1ccc2nc(N3CCC(C(=O)N4CCN(c5ccccn5)CC4)CC3)sc2c1,CID5309731,0.0,,,,,,,,,,,,0.0,,,,
Cn1cccc1Cc1nnc(SCC(=O)NC2CCCCC2)n1CCc1ccccc1,CID5309732,0.0,,,,,,,,,,,,,,,,
Cc1cc2nccc(-c3ccco3)n2n1,CID735874,,,,,,,,,,,,,,,0.0,,
CCCn1c(C)cc(C(=O)CSc2nc3nc(C)cc(C)n3n2)c1C,CID2587123,,,,,,,,,,,,,,0.0,,,
O=C(NNS(=O)(=O)c1ccccc1F)c1cccc(S(=O)(=O)N2CCOCC2)c1,CID2108387,,,,,,,,,,,,,,0.0,,,
O=C(CCc1nnc(C2CCCCC2)o1)NCc1cccc(-n2cccn2)c1,CID16190146,,,,,,,,,,,,,,,0.0,,
O=C(c1cccc(S(=O)(=O)NCc2ccccc2)c1)N1CCCC1,CID2333764,,,,,,,,,,,,,,0.0,,,
CC(C)N1CCN(Cc2ccc3c(c2)OCCO3)CC1CCO,CID16190143,,,,,,,,,,,,,,0.0,,,
CCC(C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2cccs2)n1)c1cnc2ccccc2c1,CID3190122,,,,,,,,,0.0,,0.0,,,,,,
O=C(COC(=O)CSc1ccc2ccccc2c1)NCc1ccc2c(c1)OCO2,CID2355351,,,,,,,,,,,,,,0.0,,,
O=C(COc1ccc(Cl)cc1)OCC(=O)N1CCCCCC1,CID2355354,,,0.0,0.0,,,0.0,,,,,,0.0,0.0,,0.0,
Oc1ccc(CN2CCCc3ccccc32)c2cccnc12,CID3243290,,,0.0,,0.0,,,,,,,,0.0,,,,
Cc1nc2ccc(S(=O)(=O)NCC(=O)NCCN3CCCCCC3)cc2s1,CID3243294,,0.0,,,,0.0,,,,,,,,,,0.0,
COc1ccccc1OCCC(=O)OCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl,CID4600876,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1c(C)[nH]c(C(=O)N/N=C/c2ccc(Br)cc2)c1C,CID2134051,,,,,,,,,,,,,,0.0,0.0,,
CCN1CCN(/C=N/c2nc3c(s2)CCCC3)CC1,CID2313503,,,,,,0.0,,0.0,,,,0.0,,,,0.0,
CCOc1ccc(CN2CCNC(=O)C2CC(=O)NCCc2ccccn2)cc1,CID16189059,,,,,,,,,,,,,,0.0,,,
O=C(Nc1ccc(Cl)cn1)c1cnn2cccnc12,CID2980574,0.0,,0.0,0.0,,,,,,,,,,,,,
COC(=O)Nc1ccc(S(=O)(=O)N2CCN(CCN3C(=O)C4C5C=CC(C5)C4C3=O)CC2)cc1,CID2886813,,,,,,,,,0.0,,0.0,,,,,,
Cc1cc(C)c(NC(=O)CS(=O)CC(=O)Nc2cccnc2)c(C)c1,CID656209,,0.0,,,,,,,,,,,,,,0.0,
O=C(Nc1nsc(-c2ccccc2)n1)c1cccs1,CID2241562,0.0,,0.0,0.0,0.0,,,,,0.0,,,0.0,0.0,,,
O=c1c2c3c(sc2nc2sc(CN4CCCCC4)cn12)CCCC3,CID2041386,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1ccc(NC(=S)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1,CID16194118,,,,,,,,,,,,,,,0.0,,
CCCn1c(-c2cccs2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1,CID3508744,,,,,,,,,,,,,,,0.0,,
O=C(CSc1nnc2ccccn12)N1CCc2ccccc2C1,CID2363184,,0.0,,,,,0.0,,,,0.0,,0.0,,,,
CN(CCCNC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1,CID3237233,,0.0,0.0,,,,,,,,,0.0,0.0,,,,0.0
CCC1CCCCN1C(=O)Cn1c(C(=O)OC)cc2ccsc21,CID3237232,0.0,,0.0,0.0,,,,,,,,0.0,0.0,,,,0.0
O=C(CCS(=O)(=O)c1cccs1)N1CCCC1,CID3237235,,,,,,,,,,,,,0.0,,,,
O=C(NCCc1c[nH]c2ccccc12)c1ccc(-n2cnnn2)cc1,CID2116123,,0.0,0.0,,,,0.0,0.0,,,,,,,,,0.0
CC(C)(C)n1nnnc1C(c1ccccc1F)N(Cc1ccco1)CC1CCCO1,CID656206,,,,0.0,,0.0,,,,,,,,,,0.0,
COc1ccc(N2CCN(CCNC(=O)CCS(=O)(=O)c3cccc4nsnc34)CC2)cc1,CID3242060,,0.0,,,0.0,,,,,,,,0.0,,,,0.0
Cc1cc(N)n(-c2ccc(Oc3ccccc3)c(S(=O)(=O)O)c2)n1,CID2267309,,,,,,,,,,,,,,0.0,,,
O=C(OCCNC1=NS(=O)(=O)c2ccccc21)c1ccncc1,CID2912256,,,,,,,,,0.0,,0.0,,,0.0,,,
Cn1c(=O)[nH]c(=O)c2c1ncn2CCN1CCOCC1,CID694419,,0.0,,,,,,0.0,,,,,,,,,
CCOC(=O)Cc1csc2nc3sc(C)c(C)c3c(=O)n12,CID694417,,,,,,,0.0,,,,,0.0,,,,,
Cn1c(-c2sc3ccccc3c2Cl)n[nH]c1=S,CID694414,,,,,,,,,0.0,,,,,0.0,0.0,,
O=C(c1ccco1)N1CCN(C(=O)c2cnn3c(C(F)(F)F)cc(-c4cccs4)nc23)CC1,CID1251612,,,,,0.0,,,,,0.0,,,,,,,0.0
COC(=O)c1ccc(S(=O)(=O)NCc2cccc(OC)c2)n1C,CID3237854,,,,0.0,,,,,,0.0,,,,,,0.0,
Cn1c(CN2CCCCC2)nc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21,CID1251619,,0.0,0.0,0.0,0.0,,,,,,0.0,,,,,,0.0
CCOC(=O)C1CCCN(C(=O)c2ccc3c(c2)NC(=O)C(N2CCOCC2)S3)C1,CID3240189,,,,,0.0,,,,,,,,,,,,0.0
O=C(Cn1ncc2c(=O)oc3ccccc3c21)N1CCN(C(=O)c2ccco2)CC1,CID3240181,,,,,,,,0.0,,,,,0.0,,,,
O=C(CSc1nnc(-c2ccncc2)n1Cc1ccco1)Nc1nc(-c2ccccc2)cs1,CID1733898,,,,,,,,,,,,0.0,,,,,
O=C(c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1)N1CCN(Cc2ccccc2)CC1,CID1079610,,,,,,,,,,,0.0,,,,,,
CC(C)(C)NC(=O)CN1CCC(O)(c2ccc3c(c2)OCO3)CC1,CID3228810,,,,,,,,,,,,0.0,,,,,
O=C(Cc1coc2cc3c(cc12)CCC3)OCC(=O)N1CCCC1=O,CID4779986,,,,,,,,,,,,,,0.0,,,
CN1C(=O)C(Cc2cccc3ccccc23)C(=O)N(C)C1=O,CID2294595,,,0.0,,,,0.0,0.0,,,,,,0.0,0.0,,
Cc1ccc(-c2csc(NC(=O)/C=C/c3ccco3)c2C(=O)O)cc1,CID1206157,,,,,,,,,,,,,,,0.0,,
O=C1COc2ccc(N3C(=O)c4ccccc4C3=O)cc2N1,CID3733813,,,,,,,,,,,,,,,0.0,,
Cc1nc2nc[nH]n2c(=O)c1NC(=O)c1cccc(OCC(C)C)c1,CID2942896,,,0.0,,,,0.0,,,,,,,,,,
c1ccc(Cc2nn3c(C4COc5ccccc5O4)nnc3s2)cc1,CID2973558,0.0,,,,,,0.0,,,,0.0,,,,,,
C=CCn1c(SCc2ccc(C(=O)OC)cc2)nnc1-c1sc(N)nc1C,CID1522381,,0.0,0.0,,0.0,,0.0,,,,,,0.0,,,0.0,0.0
CSC1CCCCC1(O)CSc1nc2c(cc1C#N)CCCC2,CID2943203,,,0.0,,0.0,,0.0,,,0.0,,,,,,,
O=c1c(CN2CCN(Cc3ccccc3)CC2)coc2ccc(Cl)cc12,CID1376450,0.0,0.0,,,,,0.0,,,,,,0.0,,,0.0,
O=C(N/C(=C/c1cccs1)C(=O)N1CCCCC1)c1ccccc1,CID1833477,,,,,,0.0,,,,,,,,,,,
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cccnc1,CID1632258,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)nc(NC(=O)C(c2ccccc2)c2ccccc2)n1,CID796555,,,,,,0.0,,,,,,0.0,,,,,
COc1ccc(CCNC(=O)CSc2nnc(Cc3csc(N)n3)n2C)cc1OC,CID2147271,,0.0,0.0,0.0,,,,,0.0,0.0,,0.0,,,,0.0,0.0
Cc1cc(NCCNC2=CC(=O)CCC2)nc2ccccc12,CID660028,,,,0.0,,,,,,,,,,,0.0,,
Cc1c(NC2=Nc3cccc4cccc2c34)c(=O)n(-c2ccccc2)n1C,CID2323143,,,0.0,,,,,0.0,,,,,,,,,0.0
Cc1cc(=O)oc(C)c1C(=O)n1nc(C)c2c1CC1C2C1(C)C,CID660025,,0.0,0.0,,0.0,,,,,0.0,0.0,,,,,,
O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccc(F)cc1,CID1326381,,,,,,,,,,,,,,,0.0,,
Cc1c(-c2ccccc2)n[nH]c1C(=O)NNC1=c2ccccc2=NC1=O,CID6022682,,,,,,,,,,,,,,,0.0,,
COc1cc2c(cc1NC(=O)CSc1cccc[n+]1[O-])oc1ccccc12,CID2413704,,,,,,,,,,,,,,0.0,,,
c1ccc(CCc2nc(-c3ccncc3)no2)cc1,CID874864,0.0,,0.0,,,,,,,,,,,,,0.0,
O=C(OCCCCN1C(=O)c2ccccc2C1=O)c1n[nH]c2ccccc12,CID2085812,,,0.0,,0.0,,,,0.0,0.0,0.0,,0.0,,,,
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NS(=O)(=O)c1cccc(C(=O)O)c1,CID4036999,,,,,,,,,,,,,,,0.0,,
Cc1nc(NC(=O)C2CC3CCCC(C2)C3=O)sc1C,CID2967444,,,0.0,0.0,,,,0.0,,,,,,,,,
CCN1C(=C2C(=O)c3ccccc3C2=O)C=Cc2ccccc21,CID797205,,,,,,,,0.0,0.0,,0.0,,,0.0,,,
COc1cc2c(cc1OC)CN(C(=O)CSc1n[nH]c(N)n1)CC2,CID2200048,,0.0,,,,,,,,0.0,,,,,,,
CCOc1ccccc1NC(=O)Cn1cnc2c(nnn2-c2cccc(OC)c2)c1=O,CID5310104,,,0.0,0.0,,,,,,,,,0.0,,,,
OCCCc1nc2ccccc2n1CCc1ccccc1,CID661379,0.0,,,,0.0,,,,,0.0,,0.0,,,0.0,0.0,
Cc1csc(SCCn2c(Br)nc3c2c(=O)[nH]c(=O)n3C)n1,CID661370,,,,,,,,,0.0,,,,,,,,
CN1CCc2c(n(CC(O)CN3C(=O)c4ccccc4S3(=O)=O)c3ccccc23)C1=O,CID661375,,,,,,,,0.0,,,,,,,,,
c1cncc(Oc2cccc(Oc3cccnc3)c2)c1,CID661374,0.0,,,,,,0.0,0.0,,,0.0,,,,0.0,0.0,
O=C(Nc1nnc(-c2ccco2)s1)C1CC1,CID650232,,,,,,,,,,0.0,,,0.0,,0.0,,
O=C1NC(Cc2ccccc2)C(=O)N1CCN1CCOCC1,CID6577948,,,,,,,,,,,,0.0,,,,,
COc1ccc(CC(=O)N/N=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1OC,CID1913679,,,,,,,,,,,,,,0.0,,,
c1ccc(-c2nnnn2CCOCCn2nnnc2-c2ccccc2)cc1,CID2303208,,0.0,,,0.0,,0.0,,,0.0,0.0,,,,,,
COc1ccc(-c2csc(NC(=O)CSc3nc(SC)ns3)n2)cc1,CID1840505,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)c2c(n1)nn1c(NCCCn3ccnc3)cc(C)nc21,CID666095,,0.0,0.0,,,,,,,,,,,,,,
O=C(CSc1n[nH]c(-c2cccnc2)n1)Nc1ccnc2ccccc12,CID666094,,0.0,,,,,,,,,0.0,,,,,0.0,
Cn1c(CCNC(=O)c2cccs2)nnc1SCC(=O)Nc1nc(-c2ccccc2)cs1,CID2215369,,,,0.0,0.0,,,,0.0,,,,,,,,
CC1CCN(C(=O)Cn2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)c3ccccc32)CC1,CID3238464,0.0,,0.0,,0.0,,,,,,,,0.0,,,,
COc1ccc2c(-c3cccnc3)cc(=O)[nH]c2c1,CID2106600,,,,0.0,0.0,,,,,0.0,,,0.0,,,,
O=C(NCCn1cccc1)c1cccc2ccccc12,CID1250369,,,,0.0,0.0,,0.0,0.0,,,,,,,,0.0,0.0
O=C(O)c1sccc1S(=O)(=O)c1ccccc1,CID658001,,,0.0,,0.0,,0.0,,,,,,,,,,
N#CC1=C(SCC(=O)c2cc3ccccc3oc2=O)NC(=O)C(C#N)C12CCCC2,CID658003,0.0,0.0,,0.0,,,,0.0,0.0,,,0.0,,,,0.0,
Cc1cc(NC(=O)/C=C/C(=O)N(c2ccccc2C)C(C(=O)NC2CCCC2)c2ccc(F)cc2)no1,CID5770917,,,,,,0.0,,,,,,,,,,,
O=[N+]([O-])c1cccc(/C=N/Nc2cc(Cl)nc(-c3ccccc3)n2)c1,CID3107026,,,,,,0.0,,,,,,,,,,,
COc1ccccc1CCN1C(=S)NC(C)(C)CC1(C)O,CID3813808,,,,,,0.0,,,,,,,,,,,
O=c1c2c(nc3nc(COc4ccccc4)[nH]n13)CCC2,CID1266131,,0.0,0.0,0.0,,,,,,,,0.0,0.0,0.0,0.0,,
COc1cccc(C2(O)CCN(C(=O)C3CCC3)CC2)c1,CID653764,,,,,,,0.0,0.0,,,,,,,,,
Cc1cc(C)n(C(=O)c2ccc3c(c2)NC(=O)CO3)n1,CID653766,,0.0,,,,,,,,,,0.0,,,,,
O=C(NC1CCCCCCC1)C1c2ccccc2C(=O)N1Cc1ccco1,CID4516225,,,,,,0.0,,,,,,,,,,,
COCCN(C(=O)CNC(=O)c1cccs1)C(C(=O)NC1CCCC1)c1cccs1,CID649267,,,,,0.0,0.0,,,,0.0,0.0,,,0.0,0.0,0.0,
Cc1cnc(NC(=O)CSc2nnc(-c3ccncc3)n2C2CCCCC2)s1,CID649261,,,,0.0,,,,,,,,0.0,0.0,,,0.0,0.0
COc1ccc(N2C(=O)C(Cl)=C(N3CCCC3)C2=O)cc1,CID649260,,,,,,0.0,0.0,,,0.0,,,,0.0,,0.0,
COC(=O)CC1C(=O)NCCN1C(=O)CSc1nnnn1-c1ccc(OC)cc1,CID4830715,,,,,,,,,,,,,,,0.0,,
O=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1cccs1,CID679057,,,,,,0.0,,,,,,,,,,,
Cc1cc(C)c2c(=O)n(CC(=O)NCCCN3CCN(c4ccccc4F)CC3)sc2n1,CID5308990,0.0,0.0,,,,,,,,,,,0.0,,0.0,0.0,
N#Cc1cc2c(nc1SCC(=O)Nc1nccs1)CCCCC2,CID2140504,0.0,,,0.0,0.0,,0.0,,0.0,0.0,0.0,,,,,0.0,
CN(CCNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C)Cc1ccccc1,CID5308999,,,,,,0.0,,0.0,,,,,,,,,
COc1ccc(CCn2cnc(=O)c(C#N)c2C)cc1OC,CID1471800,,,,,,,,,,,,,,0.0,,,
O=C(Nc1ccc(-n2cnnn2)cc1)C1CCC1,CID649889,,0.0,,0.0,,,0.0,0.0,,,,0.0,,,,,
Cc1nc2ccccn2c1/C(O)=C1\C(=O)C(=O)N(CCN2CCOCC2)C1c1cccs1,CID5389721,,,,,,,,,,,,,0.0,,,,0.0
CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OCc3ccccc3)cc2)C1c1cccnc1,CID5389720,,,,,,0.0,,,,,,,,,,,
CCn1c(=O)n(CC)c2cc(S(=O)(=O)NCCOc3ccccc3)c(C)cc21,CID2229203,,,,,0.0,,,0.0,,,0.0,,,,,0.0,
Cc1cc(C)n(C(=O)CCC(=O)NCc2ccccc2)n1,CID649887,,,,0.0,,,,0.0,0.0,,,,,,,,
Clc1cc2c(c(Cn3cnc4ccccc43)c1)OCOC2,CID649886,,0.0,,,,,,,,,,,0.0,,,0.0,
COc1ccc(N(CC(=O)NCc2ccccn2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1,CID999208,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)/N=C(\CN2CCOCC2)N2CCCC2)cc1,CID1321624,0.0,,,,0.0,,,,,,0.0,,,,,0.0,
CNc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)c(C)s1,CID1450314,,,,,,,,,,,,,,0.0,,,
Cc1ccnc(NC(=O)CCC(=O)N(CC(=O)NC(C)(C)C)C2CCCC2)c1,CID654079,,0.0,,0.0,,,,0.0,,,,,,,,,0.0
Cc1ccc(-c2nnn(CC(=O)Nc3ccc4nn(-c5ccccc5)nc4c3)n2)o1,CID654071,,,,0.0,,,,,,,,,,,,,
O=C(CSCCSCC(=O)c1ccco1)c1ccco1,CID2382049,,,0.0,,,,0.0,,,0.0,,,0.0,,,,
OC1(c2ccc(F)cc2)CCN(Cc2nnnn2Cc2cccs2)CC1,CID654074,0.0,,,,,,0.0,0.0,,0.0,0.0,,,,,0.0,
CCn1c(SCC(=O)Nc2nonc2C)nnc1-c1ccco1,CID654076,,0.0,,0.0,0.0,,,0.0,,,0.0,,,,,,
CCOC(=O)C1CCN(C(=O)Nc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)CC1,CID2925160,,,,,,,0.0,,,,0.0,,0.0,,,,
O=C1CN(C(=O)CN2CCCCC2)C(c2ccccc2)c2cc(Br)ccc2N1,CID2952465,0.0,,,,,,0.0,,0.0,,,,,,,0.0,0.0
Cn1c(C(=O)NC2CC2)cc2c(=O)n(C)c3ccccc3c21,CID5307628,,0.0,,,,,,,,,,,,,,,
CCOC(=O)CN1CC23C=CC(O2)C(C(=O)NC2CCCC2)C3C1=O,CID5307624,,,0.0,,,,,,,,,,,,,0.0,
O=C1c2ccccc2C(Nc2ccc3c(c2)OCO3)N1Cc1ccco1,CID5307626,,,0.0,,,,,,,,,,,,,,
CC1=C(C(=O)N2CCN(C(=O)c3ccco3)CC2)C2(CCC(C)CC2)OC1=O,CID5307623,,,,,,,,0.0,,,,,0.0,,,,
O=C(COc1ccc2ccccc2c1)Nc1ccncc1,CID823638,,,,,,0.0,,,,,,,,,,,
COC1=C/C(=C2/C(C#N)=C(N)N3C(=C2C#N)Nc2ccccc23)C=CC1=O,CID5345936,,,,,,0.0,,,,,,,,,,,
COc1ccc(-n2c(C)cc(C(=O)CN3C(=O)NC4(CCc5ccccc54)C3=O)c2C)cc1,CID4881230,,,,,,,,,,,,,,0.0,,,
O/N=C1\CCc2cccc3cccc1c23,CID868575,,,,,,,,,,,,,,,,0.0,
O=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID2955964,,,,,,0.0,,,,,,,,,,,
CC(C)(C)c1nc2ccccc2c(=O)n1N1C(=O)c2ccccc2C1=O,CID828511,,,,,,,,,,,,,,0.0,,,
CN1CCN(C2=c3ccccc3=Nc3ccc(Cl)cc3N2)CC1,CID2818,0.0,0.0,0.0,,,,,,,,,,,,,0.0,
COc1ccc2c(c1OC)C(=O)OC2c1c(O)n(Cc2ccc(F)cc2)c(=O)[nH]c1=O,CID664003,,,,,,,,0.0,,,,,,,,,0.0
Cc1cc(NC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)no1,CID664007,0.0,,0.0,,,,,,,,,0.0,,,,,
CC(=O)N(CCCCN1C(=O)c2ccccc2C1=O)c1ccc(C)cc1,CID2297002,,,,,,,,,,,0.0,,,,,,
O=C1c2ccccc2NC(c2cccc(Cl)c2)N1N=C1CCCCCC1,CID3562002,,,,,,,,,,,,0.0,,,,,
O=C(CSc1nc2ccccc2c(=O)n1-c1cccc(C(F)(F)F)c1)NC1CC1,CID2299505,,,,,,,,,,0.0,,,,,,,
S=C1NCCN1,CID2723650,,,,,,,,,,,,,,0.0,,,
Cc1nc2sccn2c1-c1nc(-c2cc3ccccc3o2)cs1,CID2999109,,,0.0,,0.0,0.0,,,,0.0,,,,,0.0,,
Cc1c(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)oc2ccccc12,CID2579661,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)Cn2c(=O)c(CCC(=O)O)nn3c4ccccc4nc23)cc1OC,CID3245113,,,,,,,,,,0.0,,,,,,,
CCCCCn1c(SCC#N)nc2cc(C(=O)NC3CCCCC3)ccc2c1=O,CID3245112,0.0,,0.0,0.0,,,,0.0,,,,,,,,,
O=C(COC(=O)CCN1C(=O)c2ccccc2C1=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1,CID2999105,,,,,0.0,,,,0.0,,,,,,,,0.0
Cc1ccc(S(=O)(=O)NC(C(=O)OCC(=O)NC2CCS(=O)(=O)C2)C(C)C)cc1,CID2999102,,,,,0.0,,,,,0.0,,,,,,,
c1ccc(CN2CCN(c3nc4ccccc4n4cnnc34)CC2)cc1,CID5309187,,,,,,,,,,,,,0.0,,,,
Cn1c(C(=O)NCc2cccs2)cc2oc3ccccc3c21,CID3242499,0.0,,0.0,,0.0,,,0.0,,,,,,,,,0.0
Cc1cccc(-n2nnc(C(=O)NC3CCCc4ccccc43)c2N)c1,CID3242498,,0.0,,0.0,,,,0.0,,,,,,,,0.0,0.0
O=C(NCc1ccc2c(c1)OCO2)c1ccc(CN2CCOCC2)cc1,CID1091472,0.0,,,,,,,,0.0,,,0.0,0.0,,,,
O=C(NCCN1CCOCC1)c1ccc(CS(=O)(=O)Cc2ccccc2F)o1,CID3239348,,0.0,0.0,,,,,,,,,,,,,,0.0
C=CCn1c(SCn2nnc3ccccc3c2=O)nnc1C1CCCCC1,CID2112640,,0.0,,,0.0,,0.0,,0.0,,,,,,,,0.0
CCOC(=O)N1CCC(NC(=O)c2cc3cc4cc(OC)ccc4nc3o2)CC1,CID3239341,,,,0.0,,,,0.0,0.0,,,,,,,,
Nc1nonc1-c1noc(CCCOc2ccc(Cl)cc2Cl)n1,CID3242495,0.0,,,,,,,,,,,,,,,,
CCOC(=O)N1CCC(Nc2c(NCCCN3CCN(c4ccc(OC)cc4)CC3)c(=O)c2=O)CC1,CID3242497,,,,,,,0.0,,,,,,,,,,
Cn1nc(CSc2ccccc2)c(C=O)c1Cl,CID2763780,,,,,,,,,,,,,,0.0,0.0,,
O=C(CSc1ccc(Br)cc1)N1CCN(C(=O)c2ccco2)CC1,CID2380804,,,,,,,,,,,,,,0.0,,,
O=C(NC1CC1)C1=CC(c2csc3ccccc23)CC(OCc2ccc(CO)cc2)O1,CID16197112,,,,,,,,,,,,,,,0.0,,
CCSc1nnc(NC(=O)c2cccc(OCc3c(C)noc3C)c2)s1,CID2701499,,,,,0.0,,0.0,,0.0,0.0,0.0,,,0.0,0.0,0.0,0.0
c1ccc(-c2cnc(CSc3nnc4ccccn34)o2)cc1,CID2572574,0.0,0.0,,,,,1.0,,,,0.0,,0.0,,,,
O=C(CN1C(=O)CC(c2ccco2)Sc2ccccc21)NCC1CCCO1,CID3236298,,,,,,,,0.0,,0.0,,,,,,0.0,
Cc1nc2c(ccc3nc(NC(=O)c4ccc5c(c4)OCCO5)sc32)s1,CID3244649,,,,,0.0,,0.0,,,,,,,,,,
Cn1c(=O)cc(OCCCC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc21,CID3244644,,,,,,,,,,0.0,,0.0,,,,,
Cn1cnnc1SCC(=O)c1ccc2c(c1)CCCC2,CID702328,,0.0,,,,,0.0,,,,,,,,,0.0,0.0
Cc1ccc(SCc2cc(=O)nc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)[nH]2)cc1,CID1976402,,0.0,,,,,,,,,,,0.0,,,,0.0
O=C(CCCCCN1C(=O)CCC1=O)Nc1ccc2c(c1)OCO2,CID2219848,,,0.0,,,,,,,0.0,,,0.0,,,0.0,
Cc1ccc(N2CCN(CC3CC=CCC3)CC2)cc1,CID2845371,,,,,,0.0,,,,,,,,,,,
O=C(CNS(=O)(=O)c1ccc(Br)s1)N1CCC(N2CCCCC2)CC1,CID3237741,,,,,,,,,,,,,,,,0.0,
N#CC1=C(N)OC2=C(CCc3ccccc32)C1c1ccccc1Cl,CID4370262,,,,,,,,,,,,,,0.0,,,
COc1ccc(C2Oc3ccccc3N2C(C)=O)cc1,CID3237745,,,,,,,,,0.0,,,0.0,,,,0.0,
O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(N2CCOCC2)c(NC(=S)NC2CC2)c1,CID4662395,,,,,,,,,,,,,,,0.0,,
CCC12CN3CCN(CC(C3)/C1=N\NC(=O)c1ccncc1)C2,CID3677188,,,,,,,,,,,,,,0.0,,,
O=C1CNC(=O)/C1=C\N1CCN(C(c2ccccc2)c2ccccc2)CC1,CID1208293,0.0,,,,,,,,0.0,0.0,,0.0,,,,,
O=C(NCc1ccccc1)c1cccc(COc2ccc3c(c2)CCC3)c1,CID2192753,,,,,,,,,,,,,,,0.0,,
COc1cc(/C=C2\NC(=S)NC2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2,CID5342362,,,,,,0.0,,,,,,,,,,,
O=C(NCC1CCCO1)c1nnc(Cc2ccc(F)cc2)o1,CID5307871,,0.0,0.0,,,,,0.0,,,,,,,,,
O=C(C1CCCO1)N1CCC2(CC1)OCCO2,CID2970372,,,,0.0,,,,0.0,,,,,,,,,
Cc1cc(-n2nnc3ccccc32)nc2ccccc12,CID748036,,0.0,,,,,,,,,,,,,,,
COc1cc(NC(=O)C2CCCO2)c(OC)cc1NC(=O)c1ccccc1,CID2947152,,,0.0,,,,,,0.0,0.0,,,,,,0.0,
O=C(CCCn1c(=O)[nH]c2ccsc2c1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID3243630,,,0.0,,,,,,,,,,,,,,
Cc1ccc(N2CC(C(=O)N3CCN(C(=O)c4ccco4)CC3)CC2=O)cc1,CID2963192,,,0.0,,,,,,0.0,,,,,,,,
CCCCn1c(SCC(=O)Nc2cc(C)[nH]n2)nc2ccsc2c1=O,CID3235706,,,,,0.0,0.0,,,0.0,,0.0,,,,,0.0,0.0
CCOC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)CC1,CID3235705,,,0.0,,,,,,,,,0.0,0.0,,,0.0,
CCOC(=O)N1CCC(NC(=O)C2CCCN(C(=O)N3CCOc4ccccc43)C2)CC1,CID3235701,0.0,,0.0,0.0,,,,0.0,,,,,,,,,
O=C(C1CCC1)N1CCc2cc(S(=O)(=O)N3CCN(c4ccccn4)CC3)ccc21,CID3235700,,,,,,,,,,,,,,,,,0.0
Cc1cc(C(=O)COC(=O)C(C)NC(=O)c2ccco2)c(C)n1Cc1ccco1,CID2458238,,,,,,,,,,,,,,,0.0,,
c1ccc(-c2cn3nc(-c4ccccc4)c(-c4ccccc4)nc3n2)cc1,CID702952,,,,,,1.0,,,,,,,,,,,
CCOC(=O)c1c(NC(=O)CSc2nnc(-c3cccnc3)o2)sc2c1CCC2,CID1741759,,,,,,,,,0.0,,0.0,,,,,,
C/[N+]([O-])=C1\Cc2ccccc2C1=O,CID660555,,0.0,,,,,,,,,0.0,,,,,,
Cc1nn2cnc3sc4c(c3c2nc1=O)CCCC4,CID660556,,0.0,0.0,,,,,,,,,,,,0.0,,
COc1ccc(CCC(=O)NC2=NCCS2)cc1OC,CID2087787,,,0.0,0.0,0.0,,,0.0,,,,,,,,,
Clc1ccccc1-c1nnc(-c2ccc3c(c2)OCO3)o1,CID753120,,,,,,,,,,,,,,0.0,,,
CC1CCCCN1C(=O)C12CCC(C)(/C(=N/O)C1)C2(C)C,CID662955,,0.0,,0.0,,,0.0,0.0,,,,,,,,,
Cc1ccccc1-n1c(=O)/c(=C/c2ccco2)s/c1=C(/C#N)C(=O)Nc1ccccc1,CID662950,0.0,,,,,,,,,,,0.0,,,,,0.0
COc1ccc(C(=O)n2c(-c3ccco3)nc3ccccc32)cc1,CID662951,0.0,,,,,0.0,0.0,,0.0,,,,,0.0,0.0,,
Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2cccnc2)cc1,CID2928232,,,,,,0.0,,,,,,0.0,,,0.0,,
Cc1nc2cc(NC(=O)NCc3ccco3)ccc2o1,CID893290,,0.0,0.0,0.0,,,,0.0,0.0,,,0.0,0.0,,,,
CC1=C(C(=O)N2CCOCC2)C(c2ccc(O)cc2)NC(=S)N1,CID4650306,,,,,,,,,,,,,,,0.0,,
O=C(c1ccc(NC2=NC3CS(=O)(=O)CC3S2)cc1)N1CCN(Cc2ccccc2)CC1,CID4176489,,,,,,0.0,,,,,,,,,,,
Cc1ccc2nc(Cl)c(CN(Cc3cccs3)C(=O)C3CC3)cc2c1,CID1459825,,,,,,,,,,,,,,,0.0,,
COc1ccc2c(c1)c(=O)oc1c(C)c3occ(C)c3cc12,CID707828,,,,,,,0.0,,0.0,,0.0,,,,,0.0,
O=C(O)CCN1/C(=C/C=N/c2ccccc2)Oc2ccccc21,CID832838,,,,,,,0.0,,,,,,0.0,,,0.0,
COc1cc2[nH]c(=O)n(Cc3ccc(C(=O)NC4CCCC4)cc3)c(=O)c2cc1OC,CID9551458,,,,,,,,,,,,0.0,,,,,
COc1cc2[nH]c(=O)n(CCCCCC(=O)N3CC=C(c4ccccc4)CC3)c(=O)c2cc1OC,CID9551454,,,,,,,,,,,0.0,,,,,,
O=C(NCCN1CCOCC1)c1ccc2ccccc2n1,CID2480835,,,,,,,,,0.0,,,0.0,,,,,
Cc1c(C2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cnn1C,CID661603,,,0.0,0.0,,,0.0,,,,,,,,,0.0,
CC(C)Cc1nc(N2CCCCC2)c(C#N)c2c1CCC2,CID661605,,,,,,0.0,0.0,0.0,,0.0,0.0,,,,0.0,0.0,
CCOc1ccc(CCNC(=O)Cc2nn[nH]n2)cc1OCC,CID3243155,0.0,0.0,0.0,,,,,,,0.0,,,,,,,
CCC1(CC)C(=O)N(C)C(=O)N=C1NCc1ccccc1,CID657739,,0.0,,0.0,,,,,,,,,0.0,,,0.0,
O=c1nc(NCc2ccco2)sc2ncccc12,CID2217458,,0.0,,0.0,,,,0.0,,0.0,,0.0,0.0,,,,0.0
O=C(c1ccco1)N1CCN(c2nc3ccccc3c(=O)n2-c2ccccc2)CC1,CID3236029,0.0,,,,,0.0,,0.0,0.0,,0.0,0.0,0.0,,,,
COc1ccc(N2CCN(c3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3C#N)CC2)cc1,CID3236027,0.0,,0.0,,,,0.0,0.0,0.0,0.0,,,,,,,
O=C(NCC1CCCO1)C1c2ccccc2C(=O)N1C1CCCCCCC1,CID3236023,,,,,0.0,0.0,,,,,,,,,,,
O=C(NCc1ccco1)c1ccc(S(=O)(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1,CID1328093,,,,,0.0,,,,,,0.0,,,,,,
O=C1OCCC1Sc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1,CID3962287,,,,,,,,,,,,,,,0.0,,
Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)N1CCc2ccccc21,CID1257793,,,,,,,,,,,,,,,0.0,,
O=C(CSCC(=O)Nc1ccccc1-c1ccccc1)Nc1ccccc1,CID1103365,,,,,,0.0,,,,,,,,,,,
O=c1nc[nH]c2nc(-c3ccccc3)c(-c3ccccc3)nc12,CID5771514,,,,,,,,0.0,,,,,,,,,
Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)OCCO3)cc1S(=O)(=O)N1CCOCC1,CID3992853,,,,,,,,,,,,,,,0.0,,
Cc1c(C(=O)NCc2cccnc2)oc2ccccc12,CID805876,,,,,0.0,,0.0,0.0,,,,0.0,,,,0.0,
COc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1Cn1cc([N+](=O)[O-])cn1,CID2888463,,,,,,0.0,,,,,,,,,,,
CCC(=O)NCc1c(C)c(C)n(Cc2ccccc2)c1-n1cccc1,CID1484953,,,,,,,,,,,,,,,0.0,,
ON1C(c2ccccc2)CC2(O)c3nonc3CCC12,CID3813399,,,,,,,,,,,,,0.0,,,,
COc1cc2nc(CCc3ccccc3)oc(=O)c2cc1OC,CID695645,,,,,,,,,,,,,,0.0,0.0,,
CCN1CCN(Cc2ccc3c(c2)Cc2ccccc2-3)CC1,CID1375624,,,,,,,,0.0,,,,,,,,,
O=C(Nc1cccc(F)c1)/C(=C\c1cccnc1)NC(=O)c1cccs1,CID5370237,,,,,,0.0,,,,,,,,,,,
O=c1c2ccccc2c2ccccc2c(=O)n1Cc1ccco1,CID755995,,,,,,,0.0,0.0,0.0,,,,0.0,0.0,0.0,,0.0
COc1ccc(/C(O)=C\C(=O)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1,CID2181107,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc2ccccc2c1CN1CCN(Cc2ccccc2)CC1,CID2245033,,,,,,0.0,,,,,,0.0,,,,,
Cc1cc(C(=O)N2CCN(S(C)(=O)=O)CC2)cs1,CID1245404,,0.0,,,,,,,,0.0,,,0.0,,,,
O=C(Nc1nc2c(s1)CCCC2)c1cccnc1,CID1245407,,0.0,,,,,,,,,,,0.0,,,,0.0
O=C(NC1=NCCS1)c1csc2ccccc12,CID1245402,,,0.0,,0.0,,0.0,,,0.0,,,0.0,,,,
FC(F)(F)c1nnc(N2CCN(c3ccccn3)CC2)s1,CID748112,,0.0,,,0.0,,,,,,,,,,,,
CCSc1ncnc2c(C#N)c3n(c12)CCCCC3,CID750241,,0.0,0.0,,,,,,,,0.0,,0.0,,0.0,,
O=C1NC(=O)C2(C(=O)N1)C(c1ccc(F)cc1)NC(=S)NC2c1ccc(F)cc1,CID4295119,,,,,,,,,,,,0.0,,,,,
Cc1cc(C)nc(N/N=C/c2ccc(N3CCOCC3)cc2)n1,CID2878024,,,,,,,,,,,,,,,0.0,,
COC(=O)C1C(=O)N2CCCSC2=C(C#N)C1c1cccs1,CID623828,,,,,,0.0,0.0,,0.0,,0.0,,0.0,,,0.0,
COc1ccc(-c2c3c(nc4sc(C(=O)Nc5cc(C)on5)c(N)c24)CCC3)cc1,CID1201903,,0.0,,,0.0,,,,,,0.0,,0.0,,,0.0,
Cc1c(NS(=O)(=O)c2cccc(C(=O)NCc3ccc(Cl)cc3)c2)c(=O)n(-c2ccccc2)n1C,CID2333807,,,,,,,,,0.0,,0.0,0.0,,,0.0,,
Nc1cc(-c2ccco2)no1,CID2517654,,,,0.0,,,,,,,0.0,0.0,,,,,
O=C1NC(=O)C(=Cc2ccccc2OCCOc2ccc([N+](=O)[O-])cc2)C(=O)N1,CID2298002,,,,,,0.0,,,,,,,,,,,
Cc1nn(-c2ccccc2)c2c1C(=O)N(c1ccccc1)C(=O)C(C)(C)C2,CID1894277,,,,,,,,,0.0,,,,,,,,
COc1ccc(-c2nc(S(=O)(=O)c3ccc(C)cc3)c(N3CCCC3)o2)cc1,CID1244758,,,0.0,,,,,,,,0.0,,,,,,
C=CCn1c(SCc2ccc3c(c2)OCO3)nc2scc(-c3ccco3)c2c1=O,CID1288186,,,,,,0.0,,,,,0.0,,,,,,
O=C(CSc1nc(=O)cc(-c2ccccc2)[nH]1)NCc1ccc2c(c1)OCO2,CID1288185,,,0.0,,0.0,,0.0,,0.0,,,,0.0,,0.0,0.0,
O=C(Nc1nc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cs1)c1ccccc1,CID1323359,,,,,,0.0,,,,0.0,,,,0.0,,,
COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2)Cc2ccccc2)cc1OC,CID1379621,,,,,,0.0,,,,,,,,,,,
COc1ccccc1NC(=O)NCC(=O)Nc1ccc(F)c(F)c1,CID2079294,,,,,,,,,,0.0,,,,,0.0,,
CC1CCCC(C)N1C(=O)CSc1nnnn1-c1cccc2c1CCCC2,CID3228996,,,,,,0.0,,,,,,,,,,,
c1ccc(-c2ccc(OCCCn3cncn3)cc2)cc1,CID2199160,0.0,0.0,0.0,0.0,,,,,,,0.0,0.0,,,,,
O=C(CSc1nnnn1-c1cccc2c1CCCC2)NC1CCCC1,CID3228993,,,,,,,,,,0.0,0.0,,,,,,
Cc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1S(=O)(=O)N1CCCCC1,CID2953887,,,,,0.0,,,0.0,,,,0.0,0.0,,,,0.0
COc1cc(C(=O)Nc2sc(C(=O)N3CCOCC3)c(C)c2C#N)cc(OC)c1OC,CID1131505,,,,,,,,,,,,,,,0.0,,
Cc1cc2c(=O)n(Cc3ccco3)c(SCC(=O)NCc3ccco3)nc2s1,CID1249408,,,,,0.0,,,,0.0,0.0,0.0,,0.0,0.0,0.0,,0.0
CC1(C)CC(=O)C(CC2=C(O)CC(C)(C)CC2=O)=C(O)C1,CID558012,,,0.0,,,,0.0,,,,,,,,,,
O=C(Nc1ccccc1)N1CCC(c2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)no2)CC1,CID647711,,,,,,,,,,,,,,,,0.0,
COCCN(Cc1cc2cc3c(cc2n2nnnc12)OCO3)C(=O)c1ccccc1F,CID647710,,,,,,,,,,,,0.0,,,,,
CCCC(C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)c1ccccc1OC,CID647713,,,,,,,0.0,,,0.0,,0.0,0.0,,,,
O=C(NC1CCCCC1)C1CCN(c2nnnn2-c2ccccc2)CC1,CID647714,,0.0,,0.0,,,,,,0.0,,,0.0,,,,
Cc1cc(NC(=O)C2CCCC2)nc2c1c(=O)oc1ccccc12,CID3240444,,,0.0,,0.0,,,,0.0,,,,,,,,0.0
c1ccc2c(Cn3ccnc3)c[nH]c2c1,CID792486,,,,0.0,,,,,,,,0.0,,,,,
O=C(CSCc1cnn(-c2ccccc2)c1-n1cccc1)NCCN1CCOCC1,CID3240440,,,,,,0.0,,,,,,,0.0,,,,
CC(C)CC(NC(=O)c1[nH]cnc1C(=O)NC(C)c1ccccc1)C(=O)OCc1ccccc1,CID16196415,,,,,,,,,,,,,,,0.0,,
CN(C)/N=C/c1ccc(Sc2ccccc2[N+](=O)[O-])o1,CID2327241,,,,,,,,,,,,,,,0.0,,
Clc1ccc(Oc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c(C2CCCCC2)c1,CID2947090,0.0,,0.0,,,,,,,,,,,,,,
O=C(Nc1ccccc1-c1nnn(CC(=O)N2CCCc3ccccc32)n1)c1ccco1,CID651026,,,0.0,,,,,,,0.0,0.0,0.0,,0.0,,,
COc1ccc2c(c1)NC1(O)c3ccccc3C(=O)C21O,CID368305,,,,,0.0,,,,,,,,,,,,0.0
CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)Nc1cccc(C)n1,CID990429,,,,,,0.0,,,,,,,,,,,
CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)cc2)CC1,CID2233680,,,,,,0.0,,,,,,0.0,,,0.0,,
Cc1ccc2[nH]c(=O)c(C(c3nnnn3C3CCCC3)N3CCCc4ccccc43)cc2c1,CID3175134,,,,,,,,,,,,,,,0.0,,
CCN1CCN(CC(=O)c2cc(Cl)ccc2Cl)CC1,CID2407021,,,,,,,,,,,,,,0.0,,,
O=C(N1CCCC1)C12CC3CC(CC(C3)C1)C2,CID2741656,,,,,,0.0,,,0.0,,,,,,,,
COc1ccc(OC)c(N/C(=N/C(=O)c2ccco2)Nc2nc(C)cc(C)n2)c1,CID666354,,,,,,,,,,0.0,,,,,,,0.0
COc1ccccc1N1CCN(Cc2nc3ccccc3c(=O)n2CC(C)=O)CC1,CID2111823,,,,,,,0.0,,,,,,0.0,,0.0,,0.0
C1CCN(c2nc(N3CCCCC3)nc(N3CCNCC3)n2)CC1,CID655485,,,,,,,,,,,,,,,,0.0,
O=C(CSc1ccccc1)Nc1ccc(N2CCN(c3ccccc3)CC2)c(F)c1,CID3789052,,,,,,0.0,,,,,,,,,,,
CNc1nc(N2CCc3ccccc32)ncc1F,CID974070,,,,0.0,,,,,,,,,0.0,,,,
CCC(C)(C)NC(=O)C(c1ccc(F)cc1)N(Cc1ccco1)C(=O)c1cnccn1,CID650370,,,,0.0,,,,,,,,,,,,,
Cc1nn(CC(=O)NCCc2ccccc2)c(=O)c2ccccc12,CID650374,,,0.0,,0.0,0.0,,0.0,0.0,,,,0.0,,,,
NC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1Cc1ccccc1,CID650379,,,,0.0,,,,,0.0,,,0.0,,,,,
N#Cc1c2c(c(N3CCN(CCO)CC3)n3c1nc1ccccc13)CCCC2,CID648476,,,0.0,,,,,,,,,,0.0,,,,
Cc1c(NC(=O)c2ccc3c4c(cccc24)CC3)c(=O)n(-c2ccccc2)n1C,CID1106072,,,,,,,,,,0.0,,,,,,,
O=C(NCCCN1CCCC1=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1,CID2494998,0.0,,,,0.0,,,,,,,,0.0,,,,0.0
C=C(C)C1CC=C(C)/C(=N/NC(=O)CNc2ccc(OCC)cc2)C1,CID4353397,,,,,,0.0,,,,,,,,,,,
Cc1nn(C)c(Cl)c1C(=O)NCC(=O)Nc1ccc(C(C)C)cc1,CID1482919,,,,,,,,,,,,,,,0.0,,
N#Cc1c2n(c(=S)n(-c3ccccn3)c1=O)CCCCC2,CID2101014,,0.0,,0.0,,,,0.0,,,0.0,,0.0,,,0.0,
CCn1c(=O)c2cc(C(=O)Nc3cc(C)on3)sc2c2ccccc21,CID5307597,,0.0,,,,,,,,,,,0.0,,,0.0,
O=S(=O)(Nc1ccc(O)c(CN2CCCCC2)c1)c1ccccc1,CID655266,0.0,0.0,,0.0,0.0,0.0,,0.0,,,,,,,,,
O=C(C1CCCN1S(=O)(=O)c1cccc2cccnc12)N1CCc2ccccc21,CID5307593,,0.0,,,,,,,,,,,0.0,,,,
CCOc1cc(NC(=O)c2ccccn2)c(OCC)cc1NC(=O)c1cccc(C)c1,CID1441392,,,,,,,,,,,,,,0.0,,,
O=C(NCCN1CCOCC1)C1CCN(S(=O)(=O)N2CCCCC2)CC1,CID3238740,,,,0.0,,,,0.0,,,,,,,,,
COc1ccc(-c2nc(CS(=O)CC(=O)NCCCN3CC(C)CC(C)C3)c(C)o2)cc1OC,CID3238741,,,0.0,,0.0,,,,,,,,,,,,
O=C(Cn1cccc1C(=O)c1ccccc1)NCCN1CCOCC1,CID3238743,,,0.0,,,,,,,,,,0.0,,,,
Cc1ccc2cc3cc(C(=O)N4CCN(C(=O)c5ccco5)CC4)sc3nc2c1,CID3238745,,0.0,,,,,,0.0,,,,,,,,,0.0
CCc1nnc(NC(=O)CCc2nc(C3=CCN(C)CC3)no2)s1,CID3238746,,,,,0.0,,,,,,,,,,,,
CCN(CCCNC(=O)CNC(=O)Cn1cnc2ccccc2c1=O)c1ccccc1,CID3238749,,,0.0,,,,,0.0,,,,,,,,,
O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccc(Oc2ccccc2)c1,CID1356092,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1c(NC(=O)c2ccco2)n(C2CCCCC2)c2nc3ccccc3nc12,CID1902314,,,,,,,,,0.0,,,,,,,,
O=C(NCc1cccnc1)C1CCN(S(=O)(=O)c2cccnc2)CC1,CID3242213,,,,,,,,0.0,,,,,,,,,0.0
CCN(CCNC(=O)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1)c1ccccc1,CID5309142,,,0.0,,,,,,,,,,,,,0.0,
c1ccc2c(c1)nc(N1CCOCC1)c1nnnn12,CID5309141,,0.0,0.0,,,,,,,,,,,,,,
O=C(C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1)N1CC=C(c2ccccc2)CC1,CID5309147,,,0.0,,,,,0.0,,,,,,,,,
O=C(CCOc1ccccc1)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1,CID4881954,,,,,,,,,,,,,,0.0,,,
CC1CCN(S(=O)(=O)N2CCC(C(=O)N3CCC(N(C)CC4CCCO4)CC3)CC2)CC1,CID5309148,,,,,,,,0.0,,,,,,,,,
CN1CCN(CCCNC(=O)c2cc3c(=O)oc4ccccc4c3s2)CC1,CID3242212,,,0.0,,0.0,,0.0,0.0,0.0,0.0,0.0,,,,,,
Cc1ccc(C(C(=O)NC2CCCC2)N(Cc2ccco2)C(=O)CCC(=O)Nc2ccccn2)cc1,CID649385,,0.0,,,,,0.0,,,,,0.0,0.0,,,,
O=C(c1cc2ccccc2o1)N1CCN=C1SCc1cccnc1,CID3242211,0.0,0.0,,0.0,0.0,0.0,,0.0,,,0.0,,,,,,
Cn1nnnc1SCC(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1,CID1969317,0.0,,,,0.0,,,,,,1.0,,0.0,,0.0,,
COc1cc(OC)cc(-c2nnc(N(C)C(=O)c3ccncc3)s2)c1,CID1451740,,,,,,,,,,,,,,,0.0,,
O=C(Cc1ncn[nH]1)NCCc1ccccc1,CID1263172,,0.0,,0.0,,0.0,,,,,,,,,0.0,,
CN1CCN(C(=O)c2ccccc2NC(=O)CCN2C(=O)c3ccccc3C2=O)CC1,CID2883812,,,,,,,,0.0,,0.0,,,,,,,0.0
O=S(=O)(Nc1cccc(Cl)c1)c1ccc2oc(=S)[nH]c2c1,CID3816254,,,,,,,,,,,,,,0.0,,,
Cc1cccc(N2CCN(C(=O)c3cnn4c(C(F)F)cc(-c5ccccc5)nc34)CC2)c1C,CID4623507,,,,,,,,,,,,,,,0.0,,
O=Cc1cn(CCC(=O)O)nc1-c1cccc2ccccc12,CID1087048,,,,,,,,,,,,,,0.0,0.0,,
O=C(NCc1ccc2c(c1)OCO2)c1ccc(=O)[nH]c1,CID2531332,,,,,,,,,,0.0,,0.0,,,,,
COc1ccc(N(CC(=O)Nc2ccc3c(c2)OCCO3)S(=O)(=O)c2cccnc2)cc1,CID5308819,,,,,,,0.0,,,,,,,,,,
O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCCCC3)ccc21)NC1CCCCCCC1,CID5308817,,0.0,,,,,,,,,,,,,,,
Cc1cc(NCc2ccc3c(c2)OCO3)n2nc(C)nc2n1,CID5308813,,,,,,,,0.0,,,0.0,,0.0,,,,0.0
CC1=C(C(=O)NC2CCCCC2C)C2(CCC(C)CC2)OC1=O,CID5308810,,,,,,,0.0,,,,,,,,,,
Cc1c(NC(=O)c2cc(-c3ccc4c(c3)OCO4)on2)c(=O)n(-c2ccccc2)n1C,CID3242216,,,,0.0,,,,,0.0,0.0,0.0,,,,,,
O=C(CSc1ncn[nH]1)NCCOc1ccccc1,CID603799,,,,0.0,,,,,,,,,0.0,,,,
Cc1ccc2c(COC(=O)c3cnc(C)cn3)cc(=O)oc2c1,CID2548027,,,0.0,,,,,,,,,,0.0,,,,
CC(C)(C)c1nnc2sc(SCCN3C(=O)c4ccccc4C3=O)nn2c1=O,CID2548025,,,,,,,0.0,,,,,,,,,0.0,0.0
O=C(NN1C(=O)/C(=C/c2cccs2)SC1=S)c1ccccc1,CID1591878,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C1CCN(C(C)=C2C(=O)c3ccccc3C2=O)CC1,CID663274,,,0.0,,,,0.0,,0.0,,0.0,,0.0,,,0.0,
Cc1cc(C)c2c3c(sc2n1)C(=O)N(C)CC(=O)N3,CID663275,,,,0.0,,,,,,0.0,,,0.0,,,,
CN(Cc1ccccc1)c1nc2c(c(=O)[nH]c(=O)n2C)n1CCSc1nc2ccccc2[nH]1,CID663276,,0.0,0.0,0.0,0.0,,,,,,0.0,,,,,0.0,
N#Cc1c(N)nc2c(c1-c1ccncc1)CCCCC2,CID663277,,,,,,,,0.0,,,,0.0,,0.0,,0.0,
O=c1cc(-c2ccccc2)nc2n1Cc1ccccc1-2,CID663273,0.0,,,,,0.0,,,,,,,0.0,,,,
O=C(NCc1ccco1)c1ccc(OCC2CCCO2)cc1,CID2999644,,,,0.0,,,,,,,,,0.0,,,,
CCC1(C)Cc2c(sc3c2c(=O)n(C)c2nnc(SCc4ccccc4)n32)CO1,CID659204,0.0,,,,,,0.0,,,0.0,0.0,,,,,,
O=C(CCn1c(=S)[nH]c2ccccc2c1=O)N1CCOCC1,CID4084417,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1c(NC(=O)c2cc(C)oc2C)sc(C(=O)Nc2ccc(Cl)cc2)c1C,CID1226259,,,,,,,,,,,,0.0,,,0.0,,
O=C1CN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c2ccccc2N1,CID2419227,,,,,,,,,,,,,,0.0,,,
CCc1cc(C(=O)OC)c(NC(=O)C2CC(=O)NN2Cc2ccccc2)s1,CID2963459,,,,,,,,,,,,0.0,,,,,
Cc1ccc(C(=O)OCC(=O)c2c[nH]c3ccccc23)cc1,CID2363733,,,,,,,,,,,,,,0.0,,,
COc1cc(OC)nc(NC(=O)CS(=O)(=O)c2ccccc2)n1,CID940979,,,,,,,,0.0,,,,,,,,,0.0
O=C(COc1ccc(F)cc1)Nc1ccc(-n2cnnn2)cc1,CID828490,,,0.0,,,,,0.0,,0.0,,0.0,,,,,
CN(C)S(=O)(=O)c1ccc(NC(=O)COC(=O)C2CC3CCCC(C2)C3=O)cc1,CID3462370,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccccc1)NC1CS(=O)(=O)CC1O,CID2831180,,,0.0,0.0,,,,,,,,,0.0,,,,
O=C(NCc1ccncc1)C1COc2ccccc2O1,CID2960405,,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1,CID2998280,,,,,,,,,0.0,0.0,0.0,,,,,,
O=C(c1ccc(CSc2ccc(Cl)cc2)cc1)N1CCOCC1,CID824493,,,,,,,,,,,,,,0.0,,,
CC1(C)Cc2nc(N)c(=O)sc2C1,CID2998289,,,0.0,,0.0,,,,,,,0.0,0.0,,,,
O=C(CSc1nnc(Cc2ccccc2)o1)N1CCCC1,CID866873,,,,,,,,,,,,,,0.0,,,
CC(=O)c1ccc(OCCCC(=O)NCC(c2ccco2)N(C)C)cc1,CID2999155,,0.0,,,,,,,0.0,,,0.0,,,,,0.0
COc1ccccc1N1CCN(S(=O)(=O)CC23CCC(CC2=O)C3(C)C)CC1,CID2999157,,,0.0,,0.0,,,0.0,,0.0,,,,,,,
CCC1Cc2c(nc3nc(C)[nH]c4nc(N5CCOCC5)c(C#N)c2c34)O1,CID2999151,,0.0,,0.0,,,,0.0,,,,0.0,,,,,
Nn1cnn(Cc2ccccc2)c1=S,CID563336,,0.0,0.0,,,,,,,,,,0.0,,,,
O=C(CSc1nnc(-c2ccc3c(c2)OCCO3)o1)N1CCCC1,CID866878,,,,,,,,,,,0.0,0.0,0.0,0.0,,,
Cc1ccc(N2CC(C(=O)N3CCc4ccccc43)CC2=O)cc1,CID2963148,0.0,,0.0,,,,,,,,,,,,,,
Cc1ccc(N2CC(C(=O)Nc3ccncc3)CC2=O)cc1,CID2963146,,,,,,,0.0,,,,,0.0,,0.0,,,
O=C(CSc1ccc2nnc(CCNC(=O)c3ccccc3)n2n1)Nc1ccccc1F,CID16194763,,,,,,,,,,,,,,0.0,,,
O=C(Cn1cnc2c(nnn2Cc2ccc(F)cc2)c1=O)Nc1cccc(F)c1,CID16195636,,,,,,,,,,,,,,,0.0,,
O=C(CSc1nnc(NC(=O)c2ccco2)s1)NCc1ccc2c(c1)OCO2,CID16195631,,,,,,,,,,,,,,,0.0,,
COc1cccc(-n2c(SCC(=O)NC3CCCCC3)nc3nnc(C)c-3c2N)c1,CID3242517,,,,,0.0,,,,,,,,,,,0.0,
COc1ccc(CCNC(=O)CCS(=O)(=O)c2cccc3nsnc23)cc1OC,CID3242519,,,,,0.0,,,,,,,,,,,,
N#C/C(=C\c1cccs1)C(=O)Nc1nccs1,CID2362469,,,,,,,,,,,,,,0.0,0.0,,
N#Cc1ccccc1NC(=O)c1ccccc1OCC(=O)Nc1ccc2c(c1)oc1ccccc12,CID2961787,,,,,,,0.0,,,0.0,,0.0,,,,,
COC(=O)C1C(C(C)C)N(c2ccccc2)OC1(C)O,CID3136581,,,0.0,,,,,,,,,,,,,,
O=C1CCCN1CCCn1cnc2c([nH]c3ccc(F)cc32)c1=O,CID659206,,0.0,,,,0.0,,,,,,,,,,,
Cc1cc(=S)cc(C)n1CCCO,CID1582522,,,,0.0,0.0,,0.0,,,,,,,,,0.0,
c1ccc2c(CNc3ccc(CNc4ncn[nH]4)cc3)cccc2c1,CID851519,,,,,,,,,,,,0.0,,,,,
O=S(=O)([N-]c1nc2ccccc2nc1-[n+]1ccccc1)c1ccc(Cl)cc1,CID1347756,,,,,,0.0,,,,,,0.0,,,0.0,,
COC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1cccs1)c1ccccc12,CID992604,,,,,,,,,,0.0,,,,0.0,0.0,,
O=C(Cc1cccs1)NCc1cccs1,CID1245174,,,,,,,0.0,,,,,,0.0,,,0.0,
Cc1nn(-c2cc(N3CCNCC3)ccc2[N+](=O)[O-])c(=O)c2ccccc12,CID2937123,,,,,,0.0,,,,,,,,,,,
CN1C(=O)c2cccc(NCCCCCCN3C(=O)c4ccccc4C3=O)c2C1=O,CID1903201,,,,,,,,,0.0,,,,,,,,
O=C(O)CCn1cc(C=C2C(=O)NC(=S)NC2=O)c(-c2cc3ccccc3oc2=O)n1,CID2176412,,,,,,,,,,,,,,,0.0,,
O=C1NC(=S)NC(=O)C1=Cc1ccc(OCc2cccc(C(=O)O)c2)cc1,CID1349701,,,,,,0.0,,,,,,,,,,,
Cc1cccc(-n2cnc(C(=O)N/N=C/c3ccccc3)c2)n1,CID1488127,,,,,,,,,,,,0.0,,,,,
O=C(CCCCC(=O)N1CCN(c2ccccc2)CC1)N1CCN(c2ccccc2)CC1,CID2933488,,,0.0,,,,,,,,,,0.0,,,,
O=c1ccc([N+](=O)[O-])ccc1Nc1ccccn1,CID2877892,,,,,,0.0,,,,,,,,,,,
Cc1cc(=O)nc(N/N=C/c2cccs2)[nH]1,CID2788151,,,,,,,,,,,,,,,0.0,,
Cc1cc2ccccc2n2c(SCC(=O)N3CCc4ccccc4C3)nnc12,CID1374047,,,,,,,,,,,,,,0.0,,,
CCC1C/C(=C\c2cccnc2)C(=O)/C(=C/c2cccnc2)C1,CID2175947,,,,,,,,,,,,,,,0.0,,
Cc1nc2cc(NN=C3C(=O)CCCC3=O)ccc2s1,CID703967,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)N2c3ccccc3CC2C)c1C,CID3903991,,,,,,0.0,,,,,,,,,,,
Cc1c(C)c2ccc(OC3CCCCC3=O)cc2oc1=O,CID2887552,,,0.0,0.0,,,0.0,,0.0,,0.0,,,,,,
COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)N4CCCCC4c4cccnc4)c3n2)cc1,CID4917699,,,,,,,,,,,,,,0.0,,,
C/C(=N\NC(=O)C(=O)Nc1ccc(C)c(Cl)c1)c1ccncc1,CID3425909,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccc(CN2CCOCC2)cc1)c1cccs1,CID891718,0.0,0.0,,0.0,0.0,,0.0,0.0,,,,,,,0.0,,
O=C(NCCCN1CCCC1=O)c1csc2ccccc12,CID2225381,0.0,,,,0.0,,0.0,,,,,0.0,,,,,
Cc1cc(Cl)ccc1OCCCC(=O)NC1CCN(C)CC1,CID2225380,0.0,0.0,0.0,0.0,,,0.0,,,0.0,,,,,,0.0,
CCOC(=O)C1=C(CNCc2ccccc2Cl)NC(=O)NC1c1ccc2c(c1)OCO2,CID2978407,,,0.0,,,,,,,,,,0.0,,,,
Cc1n[nH]c(SCC(=O)NCc2ccco2)nc1=O,CID671759,,,,0.0,,,,0.0,,,0.0,,0.0,,,,0.0
Cc1cccc(-n2nnnc2SCC(=O)NCCN2C(=O)CSC2=O)c1,CID2087821,,0.0,,,,,,,,,,,,,,0.0,0.0
c1ccc(C(Cc2nc(-c3ccccn3)no2)c2ccccc2)cc1,CID2935184,0.0,,,0.0,,,0.0,,,,,0.0,,,,0.0,
Cc1c(NC(=O)/C=C/c2cccc3ccccc23)c(=O)n(-c2ccccc2)n1C,CID1034084,,,,,,0.0,,,,,,,,,,,
COc1ccccc1/C=C/C(=O)c1c2c(c(C)[nH]c1=O)CCCC2,CID5339344,,,,,,,,,,,,,,,0.0,,
COc1ccc(CC(=O)/C(C#N)=C2/Nc3ccccc3S2)cc1,CID5667190,,0.0,0.0,,,,,,,0.0,,,,,,,
Nc1nnc(C2CCCC2)s1,CID2063687,,,,,,,,,,,,,0.0,,,,
O=C1C2CCC(C(O)C2)N1Cc1ccccc1,CID2802924,,0.0,0.0,,,0.0,,0.0,,,,,,,,,
Nc1nc(SCc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)n[nH]1,CID2099644,,,,,,,,,,,,0.0,,,,,
O=S(=O)(Nc1nc2ccccc2nc1Nc1ccc2c(c1)OCCO2)c1cccs1,CID2310450,,0.0,0.0,0.0,0.0,,0.0,,,,0.0,,0.0,,,0.0,0.0
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)c1ccoc1C,CID2547792,,,,,,,,,,,,,,0.0,,,
Cc1cccc(C2c3[nH]c4ccccc4c3CCN2Cc2cccn2-c2ncccn2)c1,CID16190380,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)NN(c2ccccc2)c2ccccc2)cc1,CID710649,,,,,,0.0,,,,,,0.0,,,,,
CCOC(=O)C1(CCc2ccccc2)CCN(C(=O)c2ccoc2)CC1,CID16190386,,,,,,,,,,,,,,0.0,0.0,,
CCOC(=O)C1(Cc2ccccc2)CCN(Cc2nccn2CC)CC1,CID16190387,,,,,,,,,,,,,,0.0,,,
O=C(NCCOc1ccccc1)c1ccc2c(c1)OCO2,CID1811255,,,,,,,0.0,,0.0,0.0,,,,,0.0,,
CC12CCC(C(=O)N(CC3CO3)C1=O)C2(C)C,CID3123224,,,,,,,,,,,,,,,0.0,,
O=C(Nc1cc2c(cc1Cl)OCCCO2)c1ccco1,CID852882,,,,,,,,,,,,,,0.0,,,
Cc1occc1C(=O)n1nnc2ccccc21,CID898637,,,0.0,0.0,,,,0.0,,,,,0.0,,,,
CCOc1cc2c3c(c1)C1(OCCO1)C(=O)N3C(C)(C)CC2C,CID2966996,,,,,,,,,,,,,0.0,,,,
CC1=Nn2c(nnc2C2CCCCC2)SC1,CID662851,,,,,,,,,,,,0.0,,,,0.0,
CC1(C)CC(=O)C(=CNCCN2CCN(CCc3ccccc3)CC2)C(=O)C1,CID662854,0.0,,,,,,,0.0,0.0,,,,,,,,
O=C(CSc1nccc(=O)[nH]1)Nc1ccc2c(c1)OCCO2,CID860074,,,,,,,,,,,,,,0.0,,,
Cc1ccn2c(NC(=O)/C=C/c3ccccc3)c(-c3ccccc3)nc2c1,CID5349581,,,,,,0.0,,,,,,,,,,,
Nn1c(CN2CCCCC2)nc2ccccc2c1=O,CID892286,,0.0,,0.0,,,0.0,0.0,,,,0.0,0.0,,,0.0,
COc1ccc(CC(=O)NNC(=O)COc2ccc3ccccc3c2)cc1,CID1103487,,,,,,,,,,,,,,0.0,,,
COc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1,CID2557110,,,,,,,,,,,,,,,0.0,,
Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)NC(=O)NC1CCCC1,CID2493508,,,,,,0.0,,,0.0,,0.0,0.0,,,,,
CN(NC(=O)C1CC(=O)N(c2ccccc2)C1)C1=NS(=O)(=O)c2ccccc21,CID4076245,,,,,,,,,,,,,,,0.0,,
Cc1cc(N2CCCC2=O)cc(C)c1CN1C(=O)c2ccccc2C1=O,CID715134,,,,0.0,,,,,,,,,,0.0,,,
O=C(c1ccncc1)N1CCN(C(=O)c2cccs2)CC1,CID704291,,,0.0,0.0,,,,0.0,,,,,,,,,
Cc1ccc(-c2csc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)n2)o1,CID4255490,,,,,,,,,,,0.0,,,,,,
Cc1cc(N2CCN(C)CC2)n2cc(-c3ccc(F)cc3)nc2n1,CID1481913,,,,,,,,,,,,0.0,,,,,
COc1cc(-c2nnc3sc(-c4cccnc4)nn23)cc(OC)c1OC,CID667310,0.0,,0.0,,,,,,,,,,,,,0.0,
O=C1N(c2ccc(Cl)c(Cl)c2)CN(Cc2ccccc2)CN1n1cnnc1,CID667319,0.0,,0.0,,,,,,,,,,,,,,
Cc1noc(/C=C/c2ccco2)c1S(=O)(=O)N1CCC(C(=O)NCc2ccco2)CC1,CID5771493,,,,,,,,,,,0.0,,0.0,,,,
O=C1N=c2ccccc2=C1Nc1sc2c(c1C(=O)NCCc1ccccc1)CCCC2,CID1521631,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1cc2c(=O)[nH]ccc2nc1C,CID5771494,,,0.0,,,0.0,,,,,,,0.0,,,,
O=c1[nH]c2ccccc2n1CCCSCCCn1c(=O)[nH]c2ccccc21,CID2088593,0.0,,,0.0,,,,,,,0.0,,,,,,0.0
CC(=O)C(Sc1nc(-c2ccco2)nc2c1c(=O)n(C)c(=O)n2C)C(=O)N(C)C,CID3244976,,,0.0,0.0,,,,,,,,,,,,,0.0
Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCC(=O)NCc2ccco2)n[nH]1,CID3243076,,0.0,0.0,,0.0,,0.0,,,,,,,,,,
O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN=C1SCc1cccnc1,CID3244978,0.0,,0.0,,0.0,,,,,,,,,,,,0.0
CCN(CC)c1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCC3,CID4681039,,,,,,0.0,,,,,,,,,,,
O=c1c2c3n(c(=S)nc2[nH]n1-c1ccccc1)CCCCC3,CID2454972,,,,,,,,,0.0,0.0,0.0,,,,,,
Cc1nc(Cl)c(C#N)cc1-c1ccccc1,CID1476365,,,,,,0.0,,,,,,,,,,,
Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1cnn2cccnc12,CID1247908,,,0.0,,,,,,,0.0,,,,,,,0.0
O=S(=O)(NCC1CCCO1)c1ccc2c(c1)OCCO2,CID2898394,,,0.0,0.0,,,,,0.0,0.0,,,,,,0.0,
Cn1nnnc1SCC(=O)NCCc1ccc(Cl)cc1,CID2103750,,,0.0,0.0,,,,,,,0.0,,,,,,0.0
CCOC(=O)CSc1nnc(CSc2nc3sc4c(c3c(=O)[nH]2)CCC4)n1C,CID2132837,,,,,0.0,,0.0,,0.0,,,,,,,,
O=C(Nc1ccncc1)C1CCN(S(=O)(=O)c2cccs2)CC1,CID2330445,,,,,,,,,,,,,,0.0,,,
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)C3CC3)c3ccccc32)S1,CID3127088,,,,,,,,,0.0,,,,,,,,
CCOC(=O)N1CCN(Cc2c(NC(=O)c3ccco3)sc(C)c2C)CC1,CID1187949,,,,,,,,,,,,,,,0.0,,
CCCc1cc(=O)nc(SCCOC(=O)c2ccccc2)[nH]1,CID2446737,,,,,,,,,,0.0,,0.0,,,,,
COc1ccc(/C=C/C(=O)Nc2cc(C)nn2-c2nc3ccccc3n2Cc2cccc([N+](=O)[O-])c2)cc1,CID5779834,,,,,,,,,,,,,,,0.0,,
O=C(CCCc1nc2ccccc2s1)NCc1cccnc1,CID2119428,,,,,,,,,,,,,,,0.0,,
CC(=O)c1c(C)[nH]c(C(=O)OCCCCN2C(=O)c3ccccc3C2=O)c1C,CID2535819,,,,,,0.0,0.0,0.0,,0.0,,,,0.0,,,
CC(NC(=O)c1ccco1)c1ccc2c(c1)OCCO2,CID2918615,,0.0,,,,,0.0,,,,,,,,,,
O=C(NCc1ccccn1)/C(=C/c1ccco1)NC(=O)c1ccccc1,CID5765254,,,,,,,,,,,,,,,0.0,,
CN1CCc2c(sc3c2C(=O)NC(c2ccc4c(c2)OCO4)N3)C1,CID660488,,,0.0,,0.0,,,,,,,,,,,,
O=C(/C=C/c1ccccc1)NNC(=O)c1cccnc1,CID732151,,,,,,0.0,,,,,,0.0,,0.0,,,
O=C(/C=C/c1ccccc1)Nc1ncn[nH]1,CID732158,,,,,,0.0,,,,,,0.0,,0.0,,,
O=C(N1CCOCC1)N(Cc1cccs1)C1CCCC1,CID665523,0.0,0.0,,,,0.0,0.0,0.0,,,0.0,,,,,,
CC1=Nn2c(nnc2-c2cc(-c3ccccc3)n[nH]2)SC1,CID665524,,,0.0,,0.0,,,,,,,,0.0,,,0.0,
Cc1nc(Cc2nnc(SCc3nc(N)nc(Nc4ccccc4C)n3)o2)cs1,CID2555181,,0.0,,,,,0.0,,,,,0.0,,,,,
C=CCn1c(=O)n2ncnc2c2c3c(sc21)CCCC3,CID2243126,,,,,,,,,,,0.0,,,,,,
CN1CCN(S(=O)(=O)c2ccc(=O)[nH]c2)CC1,CID829832,,,0.0,,,,,,,,,,0.0,,,0.0,
O=c1cc(NC2CCCCCC2)[nH]c(=O)[nH]1,CID2196772,,,,0.0,,,0.0,,,,,0.0,0.0,,,0.0,
Cc1cc(C)n2nc(C(=O)Oc3ccc4c(c3)OCO4)nc2n1,CID2669397,,,0.0,,,,,,,0.0,,,0.0,,,,
CC1CCN(C(=O)CN2C(=O)c3cccc4cccc(c34)C2=O)CC1,CID2905953,,,,,,,,,,,,,,0.0,,,
Cc1ccc(SCCC(=O)NCCSCc2ccccc2C)cc1,CID2205503,,,,,,0.0,,,,,,,,,,,
N#Cc1cc2c(nc1SCC(=O)Nc1sc3c(c1C#N)CCC3)CCCCCC2,CID1005151,,,,,,,,,,0.0,,,,,0.0,,
Cn1c(N)c(C(=O)COC(=O)Cc2ccsc2)c(=O)n(C)c1=O,CID2418440,,,,,,,,,0.0,,,,,0.0,,0.0,
O=C(Nc1cccc2ccccc12)c1cnccn1,CID649618,,0.0,,,,,,,,0.0,,,,,,0.0,
CCc1nnc(NC(=O)CSc2nnc(CNc3ccc(F)cc3)n2C2CCCCC2)s1,CID649617,,,,,,,,,,,0.0,,,,,,
CC(C)=CCC(C)(C)C1OCCN1C(=O)Nc1ccccc1,CID649615,,,,,0.0,0.0,,,,,,0.0,0.0,,,0.0,0.0
CCOc1ccc2nc(NC(=O)CSc3nnc(-c4ccncc4)n3CC3CCCO3)sc2c1,CID649612,,,,,,0.0,,,,,0.0,,,,,,0.0
Cc1ccc(Cn2cnc3sc4c(c3c2=O)CCC4)c(C)c1,CID802672,,,,,,,,,,,,,,,0.0,,
O=C(COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)NCc1ccco1,CID2105970,,,,,,,,,,,,,,,0.0,,
COc1ccccc1OCCC(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl,CID4023154,,,,,,,,,,,,,,,0.0,,
CC(=O)Nn1cc2c(=O)n(C)c(=O)n(C)c2c1,CID746024,,0.0,,,,,,0.0,0.0,0.0,,0.0,,,,0.0,
O=C(Cn1cnc2ccccc2c1=O)N1CCN(Cc2ccccc2)CC1,CID1071260,0.0,,0.0,,,,,,,,0.0,,,,,,
O=C(C1CC1)N(CCc1ccccc1)Cc1nc(=O)c2ccccc2[nH]1,CID652494,0.0,,0.0,,,,0.0,0.0,,0.0,,,0.0,,,0.0,
O=C(O)C1Cc2c([nH]c3ccccc23)C(c2ccc3c(c2)OCO3)N1,CID652490,0.0,,0.0,0.0,0.0,,,,,,,,,,,,0.0
O=C(C1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1)N1CCCCCC1,CID2864065,,,,,,,,,,,,,,,0.0,0.0,
Cc1cc(C)c(OC2(c3ccccc3)OC(=O)c3ccccc32)c(C)c1,CID2844895,,,,,,0.0,,,,,,,,,,,
CC1(C(=O)NC2CCCC2)CCC(=O)N1Cc1ccc2c(c1)OCO2,CID3239736,0.0,,,0.0,,,,,0.0,,,,,,,,0.0
N#Cc1ccccc1Cn1c(=O)n(CCCC(=O)NCc2ccc3c(c2)OCO3)c(=O)c2ccccc21,CID3239735,0.0,,0.0,,,,,,0.0,,,,,,,,
COC(=O)NCC(c1cccnc1)N1CCOCC1,CID5310569,,,,0.0,,,,0.0,,,,0.0,,,,,
O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCCCCC1,CID2240997,0.0,,,,,,,,,0.0,0.0,,0.0,,,0.0,0.0
CC(=O)Nc1ccc(S(=O)(=O)NCC2CCC(C(=O)N3CCCCCC3)CC2)cc1,CID3237994,,,0.0,,0.0,0.0,,0.0,,,,,,,,,0.0
COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)COc3ccccc3)cc12,CID3237997,,,,,,,,,0.0,,0.0,0.0,,,,,
O=C(CSc1ccc2nnc(-c3cccnc3)n2n1)N1CCOCC1,CID5310565,,0.0,,,,,,,,,,,0.0,0.0,,,
O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)NCC1CCCO1,CID5310564,,,,0.0,,,,,,,,,,,,,
Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCCC(C(=O)NCCCN2CCCC2=O)C1,CID5308178,0.0,,0.0,,,,,,,,,,,,,,
COc1ccc(N(CC(=O)N2CCc3ccccc3C2)S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1,CID6324558,,,,,,,,0.0,,,,,,,,,
CCOc1ccc(N(CC(=O)NC2CCCC2)S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1,CID6324554,,,,0.0,,,,,,,,,0.0,,,,0.0
O=C(c1ccco1)c1coc2c1cc(O)c1ccccc12,CID900926,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC(=O)c2ccco2)c(NC(=O)C2CCCO2)c1,CID6460689,,,,,,,,,,,,,,,0.0,,
O=C1C=CC=C/C1=C1\C=C(C(=O)N2CCCC2)NO1,CID6324552,,0.0,,,,,,0.0,,,,,,,,,
CC(=O)OCCCN1c2ccccc2Nc2nnc(-c3ccccc3)cc21,CID6407173,,,,,,0.0,,,,,,,,,0.0,,
Cn1c(SCC(=O)NCCN2C(=O)CSC2=O)nc2ccccc2c1=O,CID2563502,,,,,0.0,,,,,0.0,,,,,,0.0,
CS(=O)(=O)N(CCc1ccccc1)CC(=O)N1CCN(Cc2ccccc2)CC1,CID2951775,,,0.0,,0.0,,,,0.0,,,,0.0,,,,0.0
O=C1C=CC(=C2C=C(C(=O)N3CCc4ccccc4C3)NO2)C=C1,CID6324551,,,,,,,,,,,,,0.0,,,,
Nc1nnnn1N=C1CCCCC1,CID664324,,,,,,,0.0,,,,0.0,,,,,,
Nc1nc(CSc2nc3ccccc3[nH]2)nc(N2CCOCC2)n1,CID645619,,0.0,,,0.0,,,,,0.0,0.0,,0.0,,,0.0,
Cn1c(NC(=O)C2CC2)cc(=O)n(C)c1=O,CID903290,,0.0,,,,,,,0.0,,,,,,,,
N/C(=N\OC(=O)c1ccc(Br)o1)c1cccnc1,CID9587426,,,,,,,,,,,,,,0.0,,,
O=C(c1cn(CC(=O)N2CCCC2)c2ccccc12)C1CCCCC1,CID654893,0.0,,,,,,0.0,,0.0,0.0,,0.0,,,,,
O=C(Cn1cnc2c(cnn2-c2ccccc2Cl)c1=O)N1CCc2ccccc21,CID654899,0.0,,,0.0,,0.0,0.0,,,,,,,,,,
COc1cc2c(N3CCOCC3)cc(O)c(CC(=O)Nc3ccccc3)c2cc1OC,CID658464,0.0,,,,,,,,0.0,,,0.0,,,,,
CC1(C)Cc2c(C#N)c(SCC(=O)c3ccccc3)nc(N3CCOCC3)c2CS1,CID658462,0.0,,0.0,,,,0.0,,,,,,,0.0,0.0,,0.0
O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1ccncc1,CID650651,0.0,,0.0,,0.0,,0.0,,,,0.0,,,,,,
O=C(CCC1CCCC1)NCCCN1CCOCC1,CID2164960,0.0,0.0,0.0,0.0,,,,,0.0,,,,,,,0.0,
CC1(C)Cc2c(C#N)c(N3CCN(C(=O)c4ccccc4)CC3)nc(-c3ccco3)c2CS1,CID658469,0.0,0.0,0.0,0.0,,,,,,,,,,,,,0.0
O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)Nc3ccccc3)ccc21,CID344341,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C(=O)N/C(=C\c2cccc(Oc3ccccc3)c2)C(=O)NCCN2CCOCC2)cc1,CID2891821,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1[nH]c(C)c(C(=O)N2CCc3ccccc32)c1C,CID3235591,,0.0,,,0.0,,,,,0.0,0.0,0.0,,,,,0.0
CCCN1CCN(C(=O)CCCNC(=O)Cn2cnc3sc(C)c(C)c3c2=O)CC1,CID3235599,,,,0.0,,,,,,,,,,,,,
O=C(Nc1nc2c(ccc3ccccc32)s1)c1ccco1,CID565816,0.0,,0.0,,0.0,0.0,,,,,,0.0,0.0,,,,
O=C(CC1=NCCNC(c2ccccc2)C1)c1ccccc1O,CID628013,0.0,,,,,0.0,,,,,,,0.0,,,,
CC1CN(C(=O)c2cc(S(=O)(=O)N3CCCC3)c(Cl)cc2Cl)CC(C)O1,CID2942160,,,,0.0,,,,,,,,,,,,0.0,
COc1ccc(CN2C(=O)c3ccccc3C(/C=N/OCc3ccc(Cl)cc3)C2=O)cc1,CID2767536,,,,,,0.0,,,,,,,,,,,
COc1cccc(C2C(C#N)=C(N)OC3=C2C(=O)CCC3)c1OC(=O)c1ccco1,CID565818,,,,,0.0,,,,,,,,,,,,
O=C(Nc1ncccc1O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1,CID2354159,,0.0,,0.0,0.0,,,,0.0,,,,0.0,,,0.0,
Cc1cc(NC(=O)COc2cccc(Oc3ccccc3)c2)no1,CID2354153,0.0,,,,,,0.0,,,,,,0.0,0.0,,,
Cc1oc(C2CC2)cc1C(=O)O,CID649388,,,,,,,0.0,,,,,,,0.0,,,
CCOC(=O)c1c(NC(=S)Nc2ccccc2)sc2c1CCN(CCc1ccccc1)C2,CID1367702,,,,,,1.0,,,,,,,,,,,
Cn1nc(CC(=O)NCCN2C(=O)CSC2=O)c2ccccc2c1=O,CID1202115,,,,,,,,,,,,,,,,0.0,
Cn1ncc2c(N3CCOCC3)ncnc21,CID653309,,0.0,,,,,,0.0,,,0.0,0.0,,,,,
Cc1cnc(C(=O)Nc2cccc3ncccc23)cn1,CID653308,,0.0,0.0,,,,,,,,,0.0,,,,,0.0
O=C(CN1C(=O)CSC1=O)NC1CCCCC1,CID653300,,0.0,0.0,0.0,,,0.0,,,0.0,,,,,,,
CC1(C)CC(=O)C2=C(C1)NCN(Cc1ccccc1)C2,CID653306,0.0,,0.0,,,0.0,,,,,,,0.0,,,,
Cc1noc(C)c1CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O,CID2998162,0.0,,0.0,,,,0.0,,0.0,0.0,0.0,,,,,,
Cc1cc(-c2csc(NC(=O)c3ccc(=O)n(C)n3)n2)c(C)n1CC1CCCO1,CID2998167,,,,,,0.0,,,,,,,,,,0.0,0.0
CN(C)/C=N/c1c(C#N)cnn1-c1ncnc2sc(-c3ccccc3)cc12,CID2998164,,,0.0,,0.0,,,,,,0.0,,0.0,,,,
Cc1cc(C)n2cc(CSc3nnc(-c4ccccc4)o3)nc2n1,CID2998168,0.0,,,0.0,0.0,0.0,0.0,,,,0.0,,0.0,,,0.0,
CCS(=O)(=O)N1Cc2ccccc2CC1C(=O)OCC(=O)Nc1ccc(C)cc1,CID2998169,,,,0.0,,,,,,,,,,,,,
O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)N1CCCC1,CID2358337,,,,,,,,,,,0.0,,,,,,
Cc1nccn1-c1c2c(c(C#N)c3nc4ccccc4n13)CCC2,CID743357,,0.0,0.0,,,,,,,,,,,,,,
N#Cc1c2c(c(NCc3ccco3)n3c1nc1ccccc13)CCC2,CID743355,,0.0,,,,,,0.0,,,,0.0,0.0,,,,
CCN1C(=O)CS/C1=N\C12CC3CC(CC(C3)C1)C2,CID2835852,,,,,,,,,,,0.0,,,,0.0,,
O=C(NN1C(=O)C2C3C=CC(C3)C2C1=O)c1ccccc1,CID3104491,,,,,,,,,,,,,,,0.0,,
O=C(NCc1cccnc1)C1c2ccccc2C(=O)N1Cc1ccco1,CID3236749,,,,,0.0,,,,,,0.0,,,,,,
Cc1cc(C)n2c(SCC(=O)NCc3ccco3)nnc2n1,CID1086635,,0.0,,0.0,,,,,0.0,0.0,,0.0,0.0,,0.0,,
Cc1cc(NC(=O)CCN2C(=O)C3C4C=CC(C4)C3C2=O)c2ccccc2n1,CID3236677,,0.0,,,,,,,,,,,,,,,0.0
CCN1CCCC1CNC(=O)C1c2ccccc2C(=O)N(CCOC)C1c1ccc(F)cc1,CID3236675,,,,,,0.0,,,,,,,,,,,
COCCCNC(=O)c1ccc(N2CCCC2)c(NS(=O)(=O)c2ccc(C)cc2)c1,CID3236672,,,,,,0.0,,0.0,,,,,,,,,0.0
COc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCCCN(C)c3ccccc3)o2)cc1,CID3236671,,,0.0,0.0,0.0,,,0.0,,,0.0,0.0,0.0,,,,0.0
Cn1c(=O)cc(OCCCC(=O)NCCCN2CCN(Cc3ccccc3)CC2)c2ccccc21,CID3236678,,,,,,,,,,,,,0.0,,,,
CC(=O)c1ccc(N2CCN(C(=O)c3cc(-c4ccc5c(c4)OCO5)nc4ccccc34)CC2)cc1,CID2965617,0.0,0.0,,,0.0,,,,,,,0.0,0.0,,,,
O=C(CN1CCN(c2ncccn2)CC1)c1ccc(F)cc1,CID1091720,,0.0,,,,,,,,,,0.0,,,,,
O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cnccn1,CID862125,,,,,,,0.0,,0.0,,,,,0.0,,0.0,
O=C1CCC(=O)N1N1C(=O)C2C3c4ccccc4C(c4ccccc43)C2C1=O,CID2952807,,,,,,,,,,,,,,,0.0,,
O=C1CC(C(=O)NCc2ccccc2)N=C(N2CCCCC2)N1,CID2952806,,,,,,,,0.0,,,0.0,0.0,,,,,
Cc1cc(C)n2nc(C(=O)Nc3cccnc3)nc2n1,CID2979484,,0.0,,0.0,,,,0.0,,,,,,,,,
COc1ccc(NC(=O)Cn2c(C(C)C)nc(C)cc2=O)cc1Cl,CID2366160,,,,,,,,,,,,,,,0.0,,
CCN1CCN(CCNC(=O)C2CCN(Cc3nc(-c4ccc(Cl)cc4)oc3C)CC2)CC1,CID5307204,,,,,,,0.0,,,,,,0.0,,,,
O=C(CCc1nc2ccccc2s1)OCC(=O)N1CCN(C(=O)c2ccco2)CC1,CID2432361,,,,,,,,,,,,,,,,,0.0
O=C(CCN1C(=O)C2CC=C(Cl)CC2C1=O)NCc1ccccc1,CID2901984,,,,,,,,,,0.0,,,,,,,
Cn1nnnc1SCCOc1ccc(C#N)cc1,CID2536568,,0.0,,,,,,,,,,,,,,,
CCOc1cc2[nH]c(=O)n(CCCN3CCCC3=O)c(=O)c2cc1OCC,CID3237507,,,,0.0,,,,,,,,,,,,,
O=C(NC1CCCC1)c1sc(=S)n2c1[nH]c(=O)c1ccccc12,CID3237505,,,0.0,0.0,0.0,,,,0.0,0.0,0.0,,,,,,
O=C(CCN1CCCCC1)Nn1c(=S)[nH]c2ccccc2c1=O,CID3237503,,,,0.0,,,,,0.0,0.0,,,,,,,
O=C1NC(=S)N(CCC2=CCCCC2)C(=O)/C1=C/NCCCn1ccnc1,CID6082408,,,,,,,,,,,,0.0,,,,,
COc1cccc(C(=O)NC(=S)Nc2ccc3c4c(cccc24)CC3)c1,CID1018417,,,,,,0.0,,,,,,0.0,,,,,
CCOC(=O)N1CCN(C(=O)c2cccn3c(=O)c4sccc4nc23)CC1,CID3237509,,,,,,,,,0.0,0.0,,,,,,0.0,0.0
COc1ccc(N(C(=O)c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1,CID1242567,,,,,,,,,,,,0.0,,,0.0,,
Cc1c2c(nc3c(C(=O)NC4CC4)cnn13)CCCC2,CID3245570,,0.0,0.0,,,0.0,,,,,,,,,,0.0,
CC1CN(S(=O)(=O)c2ccc(NC(=O)CCN3C(=O)c4ccccc4C3=O)cc2)CC(C)O1,CID3245576,,,,,0.0,,,,,,,,,,,0.0,
O=C(COc1ccccc1)Nc1ccc2c(c1)C(=O)N(CC1CCCO1)C2=O,CID2936153,,,,,,,,,,,,,,,0.0,,
Cn1c(=O)n(C)c2cc(NS(=O)(=O)c3ccc4c(c3)CCCC4)ccc21,CID2972356,,,,0.0,,,0.0,,,,,,,,,,
CC1=C(OC(=O)c2ccccc2)C(C)(C)C(c2ccccc2)OC1=O,CID569453,,,,,,,,,,0.0,,,,,,,
O=C(c1ccccc1)c1c[nH]c2cc3c(cc2c1=O)OCCO3,CID3244485,,,,,,,,,,,,,,,0.0,0.0,0.0
O=C(NCc1cccs1)c1cnc2ccccn2c1=O,CID3244486,,0.0,,,,,,0.0,,,0.0,,,,,,0.0
O=C(CN1C(=O)c2cccc3cccc1c23)NCc1ccncc1,CID937232,,,,,,,,,0.0,,,,,,,,
Cc1cc(=O)oc2cc3c(cc12)OCCO3,CID207582,,,,,,,,,0.0,,,,0.0,0.0,,,
O=S(=O)(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccc(-c2ccccc2)cc1,CID9541908,,,,,,0.0,,,,,,,,,,,
O=C1c2ccccc2C(=O)N1CCCCN(C(=O)c1ccco1)c1ccc(Cl)cc1,CID2581928,,,0.0,,,,,,,,,,,0.0,,0.0,
O=c1cnc2ccccc2n1CC1CCCCC1,CID654628,0.0,,,,,0.0,,,0.0,,,,0.0,0.0,0.0,0.0,0.0
c1cc(-c2noc(CCC3CCCC3)n2)ccn1,CID976269,0.0,,,0.0,,,0.0,0.0,,,,,0.0,,,,
COc1ccc(Nc2nccc3c2nnn3C)cc1,CID658874,,0.0,,0.0,,0.0,,0.0,,0.0,,0.0,,0.0,0.0,,
COc1ccc(OC)c(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)c1,CID658871,,0.0,,,,,,1.0,,,,,0.0,0.0,,,
CC1(C)Cc2c(sc3c2-n2nnnc2-n2nnnc2-3)CO1,CID658872,,0.0,,,0.0,,,,,,,,,,,,
O=c1cc(NCc2ccccc2)nc2n1CCCS2,CID658873,,0.0,,,,,,,,,,,,,,0.0,0.0
O=C(Cc1ccccc1)NCC(=O)Nc1cccc(Br)c1,CID2470173,,,,,,,,,,,,,,,0.0,,
O=C(NCCc1c[nH]c2ccccc12)c1c(Cl)nc2sccn12,CID2348861,,0.0,,,0.0,,,,,,0.0,0.0,,,,,
COC(=O)c1cc(NC(=O)c2c(Cl)nc3sccn23)cc(C(=O)OC)c1,CID2348862,0.0,,,,,,,,0.0,,,0.0,,,,,
O=C(O)C1CCCCN1S(=O)(=O)c1cccc2nsnc12,CID660770,,,,,0.0,,,,,,,,,,,,
O=C(NCCCN1CCN(Cc2ccccc2)CC1)C1CCN(c2nnc(-n3cccc3)s2)CC1,CID3244220,,,,,,,,,,,,,,,,0.0,
O=c1[nH]c2cccnc2n1Cc1ccco1,CID3244221,,,,,,,,0.0,,,,,,,,,
COc1ccc(C2=NOC(C(=O)NCCCN3CCOCC3)C2)cc1,CID3244224,,,0.0,0.0,,,,0.0,,,,,,,,,
Cc1c(NC(=O)NC(=O)c2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C,CID1129465,,,,,,,,0.0,,0.0,,,0.0,,,,
Cc1ccccc1S(=O)(=O)Nc1nc2ccccc2nc1N1CCOCC1,CID660776,,0.0,,,,,,,,,,,,,,0.0,0.0
CCCn1c(C)cc(C(=O)COC(=O)CNC2=NS(=O)(=O)c3ccccc32)c1C,CID2475570,,,,,,,,,,,,,,,0.0,,
Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC2=NC(=O)C(CC(=O)O)S2)cc1,CID2909867,,,,,,,,,,,,,,,0.0,,
CN(C)CCn1c(=O)n(Cc2ccco2)c(=O)c2c3c(sc21)CCCCC3,CID1966682,,,,,,0.0,,,,,,,,,,,
O=C1C2C3C=CC(C3)C2C(=O)N1c1n[nH]c(CCc2ccccc2)n1,CID2974760,,,,,,,,0.0,,,,,0.0,0.0,,,
COc1ccc(-c2coc3c(CN4CCCCC4)c(O)c(CN4CCCCC4)c(O)c3c2=O)cc1,CID1427493,0.0,,,,,,,,,,,,,,,,
CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC1=NS(=O)(=O)c2ccccc21,CID1190217,,,,,,,,,,,,,,,0.0,,
O=C(COC(=O)C1CC(O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1,CID16196862,,,,,,,,,,,,,,,0.0,,
O=C(NC1CCCCC1)C(c1ccncc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1cnsn1,CID3200707,,,,,,,,,,,0.0,,,,,,
CC1(C)CC(=O)C(C2c3ccccc3S(=O)(=O)c3ccccc32)C(=O)C1,CID991124,,,,,,,,,,,,,,,0.0,,
c1cnc(NC2C3CC4CC(C3)CC2C4)nc1,CID654626,,,,,,,,,,,,,,,,0.0,
CC1(C)NC(=O)N(CCCCOc2ccc3ccccc3c2Cl)C1=O,CID2216100,,,,,,,,,0.0,,,,,,,,
Cc1cc(C)n(-c2nc(=O)c(C)n[nH]2)n1,CID800452,,0.0,0.0,0.0,,0.0,,,,,,0.0,,0.0,0.0,,
O=C(/C=C/c1ccc(F)cc1)NNC(=O)CCN1CCN(Cc2ccccc2)CC1,CID5890548,,,,,,,,,,,,,,0.0,,,
C(=C/CSc1nnnn1-c1ccccc1)\CSc1nnnn1-c1ccccc1,CID2274649,,0.0,,,0.0,,,,,,,,,,,,
O=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1cccs1,CID2454629,,,,,,,,,,,,,,0.0,,,
O=C(NNC(=O)c1ccncc1)c1ccncc1,CID72489,,,,,,,,,,,0.0,,,,,,
CCOC(=O)N1CCC(NC(=O)Cc2cn(C)c3ccccc23)CC1,CID3236718,,,,,0.0,,,,0.0,,,,0.0,,,,0.0
O=C(COc1ccccc1)NNC1=NS(=O)(=O)c2ccccc21,CID704167,,,,,,,,,,,,,,0.0,,,
O=C(Nc1ccccc1Br)C1CCC(=O)N1Cc1ccccc1Cl,CID3622625,,,,,,,,,,,,,,,0.0,,
CC(=O)Nc1ccc(NC(=O)C2CCN(c3c(Cc4ccccc4)c(C)nc4ncnn34)CC2)cc1,CID3227306,,,,,,,,,,,0.0,,,,0.0,,
O=C(Nc1cccs1)NC1CCCC1,CID3240812,,,,,0.0,,,,,,,,,,,,
CC(C)CCn1c(=O)c2ccccc2n2c(CN3CCCC3)nnc12,CID2527579,,,,,,,,,,,,,,0.0,,,
O=C(CN1CCOc2ccccc21)N1CCCC1,CID5008576,,,,0.0,,,0.0,,,,,,,,,0.0,
O=C(CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)N1CCN(c2ccccc2)CC1,CID2234341,0.0,,,,0.0,,,,,,,,,,,,
CCCn1c(-c2ccncc2)n[nH]c1=S,CID951876,,,,,,,,,,,,,,0.0,,,
CC(C)(C)c1cc(NC(=O)COC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)n(-c2ccccc2)n1,CID2082046,0.0,,,,,,,,,,,1.0,,,,0.0,
O=C(CSc1nc2ccccc2[nH]1)c1ccc(-c2ccccc2)cc1,CID2259021,,,,,,0.0,,,,,,,,,,,
CCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccccc21,CID2853258,,,,,,0.0,,,,,,,,,,,
COc1ccc2cc(C(c3nnnn3C3CCCC3)N3CCc4ccccc4C3)c(=O)[nH]c2c1,CID644532,,,,,,0.0,0.0,,,0.0,,,,,0.0,,
Fc1ccc2nc(-c3ccccc3)nc(SCc3nnc(-c4ccccc4)o3)c2c1,CID644534,0.0,,,,,,,,,,0.0,,,,,,
O=C1C=C/C(=C2\CSc3nnc(-c4ccco4)n3N2)C=C1O,CID5929242,,,,,,,,,,,,0.0,,,,,
CC1CC(=O)c2cnc(N3CCOCC3)nc2C1,CID2980039,,,,,,0.0,,,,,,,,,,,
COC(=O)c1c(NC(=O)COC(=O)c2ccc(C)s2)sc2c1CCCCC2,CID2453687,,,,,,,,,,,,,,0.0,,,
c1ccc2sc(NC3=NCN(Cc4ccc5c(c4)OCO5)CN3)nc2c1,CID1242955,,,0.0,,,,,,,0.0,,,,,,,
Cc1cc(OCn2ccc(C(=O)O)n2)ccc1Cl,CID3245945,,,0.0,,,,,,,,,0.0,,,,,
CCOC(=O)/C=C1\CC(=O)N=C2NONC2=N1,CID5310893,,,,0.0,,,0.0,,,,,,,0.0,0.0,,
CNC(=O)c1ncnnc1N(C)C(=O)NCc1ccccc1,CID6400931,,,,,,,,0.0,,,,,,,,,
C1=Nc2ccccc2/C1=C1/NN=C2CCCCCN21,CID5668138,,,,,,0.0,,0.0,,,,,,,,,
CC1(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC(C)(C)N(C(=O)c2ccccc2)c2ccccc21,CID3119208,,,,,,,,,,,,0.0,,,,,
Cc1cc(-c2nnc3n2CCCCC3)c(C)n1-c1ccccc1,CID2331284,,0.0,,,,0.0,,,,,,,,,,,
CCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc2ccccc12,CID663987,,,,,,0.0,,,,,,,,0.0,,,
O=C(CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)N(Cc1ccccc1)Cc1ccccc1,CID2951446,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CCN3CCSCC3)c12,CID663022,,,,,0.0,,,0.0,,0.0,,,,,,,
COC(=O)c1cn(Cc2ccccn2)c(=O)c2ccccc12,CID1482280,,,,,,,,,,,,,,,0.0,,
O=C(COc1cccc2cccnc12)Nc1ccccc1,CID2102305,,,,,,,,,,,,,,0.0,,,
O=C(NCC1CCCCC1)C1CCN(C(=O)NC2CCCCC2)CC1,CID654301,0.0,,,,,,,,,,,,,,,,0.0
Cc1cc(-c2nnc(SCc3cccnc3)o2)no1,CID654305,,,0.0,,,,,,,0.0,,,,,,,
COc1ccc(-c2cc(CNC(=O)CN(C)Cc3ccccc3)on2)cc1,CID1480149,,,,,,0.0,,,,,,0.0,,,,,
CC/C(=N\NC(=O)c1cccnc1)c1ccc2c(c1)OCCO2,CID404112,,,,,,,,,,,,,,0.0,,,
Cc1ccc(-c2nnn(CC(=O)NCC3COCCO3)n2)o1,CID649748,,0.0,0.0,,,,,,,,,,,,,,
O=C(Cc1ccc(Cl)cc1)NCC(=O)N1CCCCC1,CID2232369,,,,,,,,,,,,,,0.0,,,
O=C(c1cc(C2CC2)on1)N1CCOCC1,CID5309537,,,,,,,,,,,,,,0.0,,,0.0
O=C1c2ccccc2C(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)N1c1cccnc1,CID5309534,,,,,,,,,,,,0.0,,,,,
O=C(NCc1ccc2c(c1)OCO2)C1CCC(CNc2c(N3CCCCC3)c(=O)c2=O)CC1,CID5309535,0.0,,,,,,,,,,,,,,,,
CCOC(=O)N1CCC(NC(=O)C2CCN(Cc3nc(-c4ccc(CC)cc4)oc3C)CC2)CC1,CID5309532,0.0,,,,,,,,,,,,,,,,
O=C(c1ccc(CSCc2ccccc2F)o1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1,CID5309533,0.0,,,,,,,,,,,,,,,,
Cc1oc(-c2ccccc2F)nc1CS(=O)(=O)CC(=O)NC1CCCC1,CID5309538,,,,,,,,0.0,,,,,,,,0.0,
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\N=C(c4cccc(C)c4)OC3=O)cc2)cc1,CID2583839,,,,,,,,,,,,,,0.0,,,
COc1ccc(C2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)C3c2ccco2)cc1,CID663681,,,,,0.0,,,0.0,,,,0.0,,,,,
CC(=O)C1C2C(=O)N(Cc3ccccc3)C(=O)C2C2c3ccccc3C=CN12,CID663689,,,,0.0,,,,,,0.0,,,,,,,
COc1cc(Cl)c(C)cc1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1,CID2578242,,,,,,,,,,,,,,,0.0,,
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)C2c2cccs2)s1,CID664551,,,,,0.0,0.0,,,0.0,,,,,0.0,,,
O=C(OCN1C(=O)c2ccccc2C1=O)c1ccc2c(=O)n3c(nc2c1)CCC3,CID2538867,,,,,,,,,,,,,0.0,,,0.0,
COc1ccc(C2CC(c3ccccc3)=NN2c2ccc(/C=N/NC(=O)c3ccncc3)cc2)cc1,CID3112546,,,,,,,,,,,,0.0,,,,,
Oc1c(CN2CCCCC2)cc(Br)c2cccnc12,CID678099,0.0,,,,,,0.0,,,,,0.0,,,,0.0,0.0
COC(=O)c1ccc(CNC(=O)c2ccc(COc3ccccc3)cc2)cc1,CID2472415,,,,,,,,,,,,,,0.0,,,
Cc1c(CCNC(=O)Nc2ccccc2)c2ccccc2n1Cc1ccccc1,CID4285303,,,,,,0.0,,,,,,,,,,,
CC(C)n1c(N2CCN(CC(=O)Nc3ccc4c(c3)OCCO4)CC2)nc2ccccc21,CID655894,0.0,,,,,0.0,,0.0,,,,,,,,,0.0
O=C(CN1C(=O)c2cccc3cccc(c23)C1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID2906583,,,,,,,,,,,,0.0,,0.0,,,
COc1ccc(-c2ccc(-c3nnn(CC(C)=O)n3)cc2)cc1,CID653064,,,,0.0,,,,,,,,,0.0,,,,
O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(-c2nc3ccccc3o2)cc1,CID1255636,,,,0.0,,,,,0.0,,,,0.0,,,,
Cc1cc(C)n(-c2nc(SCC(=O)Nc3nccs3)c3c4c(sc3n2)COC(C)(C)C4)n1,CID665681,,,,,0.0,,0.0,,,,,0.0,,,,,
Cc1cc(C(=O)NNC(=S)NC(=O)/C=C/c2ccccc2Cl)n[nH]1,CID2207202,,,,,,,,,,0.0,,,,,,,
O=C(CSc1ncccc1C(=O)O)c1ccc2ccccc2c1,CID4262514,,,,,,,,,,,0.0,,,,,,
Cc1nc(SCC(=O)Nc2nnc(-c3ccccc3)s2)n[nH]1,CID767936,,,,,,0.0,,,,,,,,,,,
c1ccc2c(c1)nnn2Cc1nnc2sc(-c3ccc4c(c3)OCCO4)nn12,CID2231443,,0.0,,,,,,,,,0.0,,0.0,,,0.0,
c1cncc(Nc2nc(-c3cccs3)cs2)c1,CID693841,0.0,,,0.0,0.0,,,,0.0,,,,,,0.0,,
COc1ccc(/C=C2/NC(=S)NC2=O)cc1OCc1ccccc1,CID872349,,,,,,0.0,,,,,,,,,,,
COc1cccc(NC(=O)C(OC(=O)/C=C/c2ccc3c(c2)OCO3)c2ccccc2)c1,CID5792981,,,,,,,,,,,,,,,0.0,,
Cc1cccc2c1nc(-c1ccccc1)n1nnnc21,CID872346,,0.0,0.0,0.0,,,,0.0,,,,,,,,,
Cc1c(/N=C/N2CCOCC2)c(=O)n(C)c(=O)n1C,CID2243497,,0.0,,,,,,0.0,0.0,,,,,,,,
CCN(CC(=O)NCc1cccs1)c1nnnn1-c1ccccc1,CID2566963,,,,0.0,0.0,,,,,,,,,,,,
Cc1ccc(NC(=O)COC(=O)C2CC2C)c(S(=O)(=O)N2CCCCC2)c1,CID2999502,,0.0,0.0,,,,,,,0.0,,,,,,0.0,
CC1CCCCN1CC(=O)NCc1ccc2c(c1)OCO2,CID2999501,,,,0.0,,,,,,0.0,,,,,,,0.0
Cn1c(C(C#N)C2=C(Cl)C(=O)N(c3ccccc3)C2=O)nc2ccccc21,CID2999507,0.0,,0.0,,,0.0,0.0,,,,,,0.0,0.0,,0.0,
O=C(CSc1nnnn1C1CC2CCC1C2)Nc1ccnc2ccccc12,CID2967368,,0.0,1.0,,,,,,,,0.0,,0.0,,,0.0,
COc1cccc(NC(=O)CSc2nncn2-c2ccccn2)c1,CID644463,,,,0.0,0.0,,0.0,0.0,,,0.0,,,,,,
O=C(Nc1ccncc1)c1cc2ccccc2oc1=O,CID3236152,0.0,,,,,,0.0,0.0,,0.0,,,,,,,0.0
COc1cc(-c2nnc(COC(=O)c3c4c(nc5ccccc35)CCCC4)o2)cc(OC)c1OC,CID2462742,,,,,,,,,,,,0.0,,,,,
O=C(Cn1c(=S)[nH]c2ccccc21)c1ccccc1,CID680743,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccc2c(c1)OCO2,CID3236920,,0.0,,,,0.0,,,,,,,,,,,
CCOC(=O)/C(C#N)=C1/C=CNC(=O)N1,CID5653795,,,,,,,,0.0,,,,,0.0,,,,
Nc1c(C(=O)NCCN2CCOCC2)c2nc3ccccc3nc2n1CCc1ccccc1,CID659090,,0.0,0.0,,,,0.0,,,,,,0.0,,,0.0,
O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)Nc1ccc(F)cc1F,CID2542034,,,,,,,,,,,,,,0.0,,,
c1cnc2ccc(C(c3nnnn3C3CCCC3)N3CCN4CCCC4C3)cc2c1,CID3193602,,,,,,,,,,,,,,,0.0,,
CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)NCc2ccc3c(c2)OCO3)CC1C,CID3236157,,,,,,,,,0.0,,,,,,,0.0,
CCOc1cc(C(=O)N2CCOCC2)ccc1OCc1ccccc1,CID2224442,0.0,,0.0,,,,,,,,,,,,,,
CCCc1cc(=O)oc2cc(OCC(=O)Nc3cc(C)on3)ccc12,CID2090794,,,,,,,,0.0,0.0,,,,0.0,,,0.0,
CC(C)(C)n1nc2c(c1NC(=O)c1ccc(S(=O)(=O)N3CCCC3)cc1)CS(=O)C2,CID2051006,,,,,0.0,,,,,,,,0.0,,,0.0,0.0
Cc1cs/c(=N\C(=O)c2ccccc2)n1Cc1ccco1,CID741668,,,0.0,,,0.0,,,,,,,,,,,
O=C1c2ccccc2C(=O)N1CCCSc1nc2ccccc2o1,CID1962637,0.0,,,0.0,,,0.0,,0.0,,,0.0,0.0,0.0,,,0.0
C=C(C)C1CC=C(CN2CC(C)OC(C)C2)CC1,CID2845488,,,,,,0.0,,,,,,,,0.0,,,
CN1CCN(C(=O)Cc2nc3ccccc3[nH]2)CC1,CID645795,,0.0,,,,,0.0,,0.0,,,0.0,0.0,0.0,,,
Cc1ccn2cc(-c3nonc3C)cc2c1,CID645790,,,0.0,,,,0.0,0.0,,,0.0,0.0,,,,,
CCOC(=O)N1CCN(c2nc3ccccc3nc2C(C#N)C(=O)NCCc2ccccc2)CC1,CID659673,0.0,,,,,,,,,,,,,,,,
COc1ccc(CN2CCCC2C(=O)Nc2ccc(OC)c(OC)c2)cc1OC,CID2856705,,0.0,,,,0.0,,,,,,,,,,,
CC(CCc1ccccc1)NC(=O)CN1C(=O)NC2(CCCCC2)C1=O,CID4998772,,,,,,,,,,,,,,,0.0,,
Cc1ccc(S(=O)(=O)Cn2nnnc2CN(Cc2ccco2)CC2CCCO2)cc1,CID651400,,,0.0,,,,0.0,,,,,,,,,0.0,0.0
O=C(c1cccs1)N1CCC(c2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)no2)CC1,CID651406,,,0.0,,,,,,,,0.0,,,,,,0.0
O=C(c1cc2sccc2n1Cc1ccccc1)N1CCc2ccccc21,CID651405,,,,,,0.0,,,,,,,,0.0,,,
Fc1ccc(C(c2nnnn2C2CCCC2)N2CCN(Cc3ccccc3)CC2)cc1,CID651409,,,0.0,,,,,,,,,,,,,,
NC(=O)c1sc2nc3c(c(-c4ccco4)c2c1N)CCC3,CID893110,,,,,0.0,,0.0,,,,,,0.0,,,,
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCOCC3)CC2)cc1,CID1298827,,,,,,,,,,,,,,,,,0.0
C=CCn1c(SCc2nc(N)nc(N3CCCCC3)n2)nnc1-c1ccco1,CID1267782,,,,,0.0,,,,,,0.0,,,,,,
Cc1cc(=O)oc2cc(NC(=O)c3cc4ccccc4o3)ccc12,CID2675712,,,,,,,,,,,,,,,0.0,,
C/C(=N\NC(=O)c1cc2ccccc2cc1O)c1ccc2c(c1)OCO2,CID771585,,,,,,0.0,,,,,,,,,,,
CCOC(=O)C1=C(C)Nc2ccccc2N=C1NC(=O)CCCN1C(=O)c2ccccc2C1=O,CID2997758,,,,,,0.0,,,,,,,,,,,
Nc1nc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)nc(-c2ccccc2)n1,CID2997756,,0.0,,,,,,,,,0.0,,,,,,
O=C(CC(=O)Nc1ccccn1)Nc1ccccn1,CID565132,,0.0,,0.0,,,0.0,0.0,0.0,,,,0.0,,,,
O=C1NC(=O)C(CCc2ccccn2)(Cc2ccc3c(c2)OCO3)C(=O)N1CCc1ccccc1,CID2948744,,,,,,,,,0.0,,0.0,,,,,,
CN1C(=O)CC(N2CCC(c3nc4ccccc4[nH]3)CC2)C1=O,CID4330136,,0.0,,,,,,,,,,,,,,,
CC1(C)CNC(=O)CC(C)(C)N1O,CID870734,,,,,,,0.0,,,,,,,,,,
c1cc(N2CCCC2)ccc1C(c1nnnn1C1CCCCC1)N1CCOCC1,CID648818,,,,,,,,,,0.0,,,,,,0.0,
CCc1c(C)nc2ncnn2c1N1CCC(C(=O)NCc2ccc3c(c2)OCO3)CC1,CID648813,0.0,0.0,,,,,,,,,,,,,,,
O=C1CCC(=O)N1OCCCCOc1ccccc1,CID2221315,,,0.0,,,,0.0,,0.0,0.0,,,,,,0.0,
COCCn1c(C)cc(C(=O)CSc2nnc3ccccn23)c1C,CID2056741,,0.0,,,,,0.0,,0.0,,0.0,,,,,,0.0
CN(Cc1c(O)ccc2c1oc(=O)c1ccccc12)C1CCCCC1,CID5389209,,,,,,,,0.0,,,,,,,,0.0,
COc1ccc(CN(C(=O)c2cc3ccccc3oc2=O)C2CCCC2)cc1,CID1157314,,,,,,,,,0.0,,,,,,,,
Cc1ccccc1CN1CCN(CC(=O)NCc2ccccn2)C1=O,CID3497325,,,,,,,,,,,0.0,0.0,,,,,
Cc1nc2c(Cl)c(C)nn2c2c1CCC2,CID1477880,,,,,,,,,,,,,,,0.0,,
O=C1COc2ccc(C(=O)c3ccccc3)cc2CN1,CID668656,,,,,,,0.0,0.0,0.0,,,,0.0,,0.0,,
CCn1c(O)c(C(=O)NNS(=O)(=O)c2ccc(C)cc2)c(=O)c2ccccc21,CID1087425,,,,,,,,,,,,,,0.0,,,
COc1cc2c3c(c1)/C(=C1/SC(=S)NC1=O)C(=O)N3C(C)(C)C=C2C,CID2000865,,,,,,,,,,,,,,0.0,,,
COC(=O)/C(=C\Nc1ccc(Cl)cc1Cl)NC(=O)c1ccccc1,CID2764924,,,,,,,,,,,,,,0.0,,,
Cc1cc(C(=O)OCC(=O)NCc2ccco2)c(C)o1,CID2362895,,,,,,,,,,,,,,0.0,,,
O=C(COc1ccccc1)NCC(=O)N/N=C/c1ccco1,CID4305237,,,,,,,,,,,,,,0.0,,,
O=S(=O)(Cc1ccccc1)Nn1cnnc1,CID669300,,,,0.0,,,,0.0,,,,,,,0.0,,
O=C(O)CSc1c(-c2cccs2)[nH]c2ccccc12,CID674281,,,,,,,,,,,,,,,0.0,,
O=S(=O)(N1CCCCC1)n1c(Cc2ccccc2)nc2ccccc21,CID1302040,,,,,0.0,,,0.0,,,,,0.0,0.0,,0.0,0.0
COc1cccc2cc(-c3csc(CCn4nc(C)cc4C)n3)c(=O)oc12,CID2370267,0.0,0.0,,,0.0,,,,,,,,0.0,,,,0.0
Cc1ccc(C(=O)C2CCN(CC(=O)Nc3nc(C)cs3)CC2)cc1,CID1438309,,,,,,,,,,,,,,0.0,,,
O=[N+]([O-])c1ccc(COc2cccnc2)cc1,CID1503576,,,,,,,,,,,,,,,0.0,,
C=CCn1c(SCC(=O)NCC2CCCO2)nc2scc(-c3ccco3)c2c1=O,CID2939726,,,0.0,,0.0,,,,,0.0,,,0.0,0.0,,,0.0
Cc1c(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)C2c2cccs2)cnn1-c1ccccc1,CID5771737,,,,,,,,,,,,,0.0,,,0.0,
Cc1nc2ccccc2nc1OCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1,CID2110321,0.0,,,,0.0,,,,,,,,,,,,0.0
Cc1nc(-c2ccccc2)c2c(=O)cc[nH]c2n1,CID5337559,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(C(=O)OCc2nnc(-c3cccs3)o2)cc1OC,CID2480755,0.0,,,,,,,0.0,,,,,,,,,
Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cnn(Cc2ccccc2)c1,CID4451622,0.0,0.0,0.0,,0.0,,0.0,,,,,,,,,,
CN1CCN(CC2(O)CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1,CID5169123,,,,,,,,,,,,,,,0.0,,
c1ccc(OCCCn2nnc(-c3ccncc3)n2)cc1,CID655055,,,0.0,0.0,,,,0.0,,,,,,,0.0,,
Cc1ccc2c(c1)C(c1ccc(F)cc1)N(C(=O)C1CC1)CC(=O)N2,CID4403593,,,,0.0,,,,,,,,,0.0,,,,
CCOC(=O)C1=C(C)N=C(/N=C/N(C)C)SC1c1ccccc1,CID2768134,,,,,,0.0,,0.0,,,0.0,,,,,,0.0
COc1cc(NC(=O)CCC2CCCC2)cc(-n2cnnn2)c1,CID1231769,,,,,,,,,,,,,,,0.0,,
CNc1cc(-n2nc(C)cc2-c2ccccc2)ncn1,CID821152,0.0,,0.0,0.0,,0.0,,0.0,,,,0.0,0.0,,,,
O=C(Oc1ccc2ccccc2c1)C1CC(=O)N(c2ccc(Br)cc2)C1,CID2960872,,,,,,,,,,,,0.0,,,,,
Cc1ccc(C)c(NC2=C(Cl)C(=O)OC2OC(C)C)c1,CID16193202,,,,,,,,,,,,,,,0.0,,
Cc1ccc2c(c1)c1c(n2CC(O)Cn2c(C)nc3ccccc32)C(=O)CCC1,CID2937983,,,,0.0,0.0,,,0.0,,,,,0.0,,,,
O=C1c2ccccc2C(=O)N1CCc1nc(-c2ccncc2)no1,CID2216495,,,,,,0.0,,,,,,,,,0.0,,
N#Cc1nc(-c2cccs2)oc1N1CCN(Cc2ccccc2)CC1,CID1978771,0.0,,0.0,,,,,,,,,,,,,0.0,
O=S(=O)(c1cccc(-c2nc3n(n2)Cc2ccccc2-3)c1)N1CCCCC1,CID2321335,,,,,,0.0,,,,,,,,,,,
Cn1cc(C(=O)NCCc2ccccc2)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21,CID3244528,,,,,0.0,,,,,,,,,,,,0.0
Cc1ccc(N(CN2C(=O)C3CC=CCC3C2=O)C(=O)c2ccco2)cc1Cl,CID661911,,0.0,,,,,,,,,,,,,,0.0,
CCOC(=O)c1c(-c2cccs2)csc1NC(=O)c1ccncc1,CID661910,,0.0,0.0,,0.0,,,,0.0,0.0,,,,0.0,0.0,,
CCOC(=O)c1sc(-n2[nH]c(C)cc2=O)nc1C,CID661916,,,0.0,,,,,0.0,,0.0,,0.0,,,,0.0,
Cc1nn(C)c(Oc2ccc(Cl)cc2)c1C(=O)Nc1ccc(F)cc1F,CID1486875,,,,,,,,,,,,,,0.0,,,
c1ccc(-c2cc(-c3nc(-c4ccccn4)no3)c3ccccc3n2)cc1,CID1328909,,,0.0,,,,0.0,,,,,,,,,,
Cc1cc(N)n(-c2nc(-c3cccnc3)nc3ccccc23)n1,CID675349,,0.0,,,,,,,,,,,,,,,
NC(=O)c1c(NC(=O)CN2CCOCC2)sc2c1CCC2,CID675342,,,,,,,,0.0,,,,,0.0,,,,
COC1C/C(=N\O)C2OC(c3ccccc3)OCC2O1,CID320173,,,,,,,,,,,,,,,0.0,,
Cc1ccc(-c2csc3ncnc(-n4nc(C)cc4N)c23)cc1,CID675346,,0.0,,,,0.0,,0.0,,,0.0,,,,,0.0,
Cc1nn(C(C)(C)C)c(OC(=O)c2cccs2)c1Sc1ccccc1,CID1287907,,,,,,,,,,,0.0,,,0.0,,,
O=C(CSC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccco3)C(=O)N12)NCC1CCCO1,CID3240331,,,,0.0,0.0,,,,,,,,,,,0.0,0.0
O=C(Oc1cncc(Cl)c1)c1ccco1,CID7230550,,,,,,,,,,,,,,1.0,,,
O=C(C1CCCCC1)N1CCN(c2ncccn2)CC1,CID727067,,,0.0,,,,,,,,,,,,,,
O=C1C=CC(=O)N1CCNc1ncc(C(F)(F)F)cc1Cl,CID1486292,,,,,,,,,,,,,,0.0,,,
COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)ncn1,CID1184845,,,,,,0.0,,,,,,,,,,,
COc1ccc(OC)c(-c2nc(CN3CCCCC3c3cccnc3)c(C)o2)c1,CID16192181,,,,,,,,,,,,,,0.0,,,
Cc1nc2c(n1C1CCCCC1)C(=O)c1ccccc1C2=O,CID4065173,,,,,,0.0,,,,,,,,,,,
CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NCc2ccccn2)cc1,CID1041330,,,,,,,,,,,,,,,0.0,,
O=C(Cc1ccc2cccnc2c1)c1ccc(O)cc1O,CID928003,0.0,,,,0.0,,,,,0.0,,,,,,,0.0
CC1CCCC(C)N1S(=O)(=O)c1ccc(NC(=O)c2ccccc2C(=O)N2CCOCC2)cc1,CID2975190,,,,0.0,,,,,,,0.0,,,,,,0.0
O=[N+]1C2=C(CCCC2)N([O-])C12CCCC2,CID652306,,,,,,,,,,,,,,,,0.0,
CCOC12NC(=O)CC(=O)N1C(c1ccccc1)=CS2,CID2906036,,0.0,,0.0,,,0.0,,,,,,,,,,0.0
O=C(Nc1ccc(Br)cc1)c1csc(-c2ccncc2)n1,CID1483711,,,,,,,,,,,,,,0.0,,,
Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccc(Cl)cc1,CID1483715,,,,,,0.0,,,,,,0.0,,,,,
O=C(CNC(=O)c1cccs1)OCC(=O)c1cccs1,CID652307,,,,,0.0,,,,,0.0,,,,,0.0,,
c1ccc(-c2csc3ncnc(NCC4COc5ccccc5O4)c23)cc1,CID5115067,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C1=NOC(CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)C1,CID2768904,,,,,,,,,,,,,,,0.0,,
O=c1c(-c2ccccc2)n[nH]c2ccccc12,CID665115,,,,,,,,,,,,0.0,,,,0.0,
Cc1nc(-c2cnn(-c3ccccc3)c2)c2cc(C)oc2n1,CID665110,,,,,,,,,,,,,,,0.0,,
CC(C)(C)n1nnnc1C(c1cccnc1)N(Cc1ccccc1)Cc1cccs1,CID3229350,,,,,,,,,,,0.0,,,,,,
Cc1ccc(NC(=O)c2ccc(NCCc3ccccc3)c([N+](=O)[O-])c2)cc1F,CID12004906,,,,,,,,,,,,,,,0.0,,
CCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1CC1CCCCC1,CID660296,0.0,,0.0,,,0.0,,,,,,,,,,,0.0
CN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CC(=O)C23CC4CC(CC(C4)C2)C3)CC1,CID660295,,0.0,,,,,0.0,,,0.0,,,,,,,
O=C(O)C1CC=CCC1C(=O)N1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1,CID660299,,,,0.0,,0.0,,,,,,,,,,,
O=C(CN1C(=O)C2CC=C(Cl)CC2C1=O)N1CCOCC1,CID2868949,,,,,,,,,,,,,0.0,,,,
O=C1CSC(c2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)N1Cc1cccnc1,CID3297811,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)NC(=S)N2CCSCC2)cc1,CID2850023,,,,,,0.0,,,,,,,,,,,
Cc1cccc(N2C(=O)S/C(=C3\C(=O)Nc4ccccc43)C2=O)c1,CID5341273,,,,,,0.0,,,,,,,,,,,
Cc1cccc2cc3c(N)c(C(=O)Nc4ccc(N5CCOCC5)cc4)sc3nc12,CID1442755,,,,,,,,,,,,,,,0.0,,
COc1ccc(-c2nnc(N(C)C(=O)c3cccnc3)s2)cc1,CID652205,0.0,0.0,,,,0.0,0.0,,,,0.0,,,,,0.0,
CC(C)C(=O)Nc1nnc(CCN2CCOCC2)s1,CID1398561,,,,,,,,,,0.0,,0.0,,,0.0,,
NC1=C(c2nc(-c3ccc(F)cc3)cs2)C(=O)CN1CCCN1CCOCC1,CID2349205,0.0,,,,,,,,,0.0,,,,,0.0,0.0,
O=C1/C(=C/c2ccccc2)Nc2ccccc21,CID2297827,,,,,,0.0,,,,,,0.0,,,,,
O=C(NCN1CCCCC1)c1cnccn1,CID120526,,,0.0,,,,,,0.0,,,0.0,0.0,,0.0,,
Cc1cc(C)n2nc(SCC(=O)N/N=C/c3ccccn3)nc2n1,CID834808,,,,,,,,,,,,,,0.0,,,
O=C(NC1=NCCS1)c1cccc2ccccc12,CID960163,,,,,,,,,,,,,,,0.0,,
O=C(COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1ccccc1,CID2139586,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(CCNC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1OC,CID1072359,,,0.0,0.0,0.0,,,0.0,,,,,0.0,,,,
Cc1cc2oc(C(=O)NC3CCS(=O)(=O)C3)c(C)c2cc1C,CID2947909,,,,0.0,,,,,,,,,,,,,
Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)CCC(=O)NCCC3=CCCCC3)cc12,CID3243703,,,,,,,,,,,,,,,,,0.0
Nc1nc(-c2ccc3c(c2)CCCC3)cs1,CID735091,,,,,0.0,,,,,,,,,,,,
CCOc1ccc(C2=c3cc(OC)ccc3=NC(c3cccs3)=NN2)cc1OCC,CID3166318,,,,,,,,,,0.0,,,,,,,
COC(=O)c1ccc(CSc2nnc(NCc3ccccc3)s2)o1,CID2109912,0.0,,,,0.0,0.0,0.0,,0.0,0.0,0.0,,0.0,,,0.0,
O=C(Nc1nc(-c2ccccn2)cs1)c1cc2ccccc2o1,CID2406187,,,,,,,,,,,,,,0.0,,,
COc1ccc(OC)c(-c2csc(NC(=O)c3ccc4c(c3)OCO4)n2)c1,CID2406181,,,,,,,,,,,,,,0.0,,,
CC1CCC(C(C)C)C(OC(=O)c2ccco2)C1,CID3117501,,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCCO1,CID2862126,0.0,,,,,0.0,,0.0,,0.0,,,0.0,,,,
Cc1ccc(C(C(=O)NCCc2ccccc2)N(C(=O)c2csnn2)C2CC2)o1,CID655770,,,0.0,0.0,,0.0,,0.0,,,,,,,,0.0,0.0
O=C(NCCOC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccnc1,CID655771,,,0.0,,,,,,,0.0,,,,,,,
COc1ccc(C(=O)Cn2nnc(-c3ccccc3NC(=O)C3CC3)n2)cc1,CID655772,,,,,,,,,,0.0,0.0,,,,,,
CC1(C)Oc2ccc(C(=O)NC3CC3)cc2N(CC(=O)N2CCOCC2)C1=O,CID655773,,,,,,,,0.0,0.0,,,,,,,,
CC(=O)Nc1nonc1NC(=O)CSc1nc2ccccc2o1,CID712224,,,,0.0,,,,,,0.0,,,,,,,
Cc1ccc(-c2nnc(N3CCCCC3)c3ccccc23)cc1S(=O)(=O)N1CCN(C)CC1,CID5310913,,0.0,,,,,,,,,,,,,,,
Cc1ccc(C2/C(=C(/O)c3ccc(Br)cc3)C(=O)C(=O)N2Cc2ccco2)o1,CID5310910,,,,,,,0.0,,,,,,,,,,
O=c1nc(CN2CCCCC2)[nH]c2c1C1(CCCC1)Cc1ccccc1-2,CID558849,,,,0.0,,,0.0,0.0,,,,0.0,,,,,
CCc1cc2c(NCC3CCCO3)ncnc2s1,CID651273,,0.0,,,,,,,,,,,0.0,,,0.0,0.0
NC(=O)CSc1nnc(COc2ccccc2)n1CCc1ccccc1,CID651272,0.0,0.0,,0.0,0.0,0.0,,,,,,,,,,0.0,0.0
Cc1cc(-c2ccccc2)c2nncn2n1,CID760139,,0.0,0.0,,,0.0,,0.0,0.0,,,0.0,,,,,
O=C(NCc1ccc2c(c1)OCO2)c1ccc(-c2ccc(Cl)cc2)o1,CID1249974,,,0.0,0.0,,,,,,,,,,,,0.0,0.0
CCOc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccco4)cc3n2)cc1,CID1352377,,,,,,0.0,,,,,,,,,,,
Cc1csc(NC(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2-c2ccccc2)n1,CID5308740,,,,0.0,,,,,,0.0,,,,,,,
O=C(C1=C(O)C(=O)N(CCOCCO)C1c1cccs1)c1cccs1,CID663185,,,,,0.0,,,,,0.0,,,,,,,
N#Cc1cc(Oc2cccnc2)c(Oc2cccnc2)cc1C#N,CID628668,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)n(-c2nc3c(c(=O)n(Cc4ccc(Cl)c(Cl)c4)c(=O)n3C)n2C)n1,CID663181,0.0,,0.0,,,,,,,,,,,,,,
CC(C)C(NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)N1CCN(Cc2ccccc2)CC1,CID5309257,,,,,,0.0,0.0,,,,,,,0.0,,,
O=C(c1ccco1)N1CCN(C(=O)c2sccc2-c2ccccc2)CC1,CID2496667,,0.0,0.0,,,,,0.0,,0.0,,,,,,,
N#Cc1ccc(CSc2nnc(-c3cccs3)n2-c2ccccc2)cc1,CID1292696,0.0,,,,0.0,,,,,,,,,,,,
Cc1cc(C(=O)Nc2nc3c(s2)CCCC3)cs1,CID1245924,,,,,0.0,,0.0,,,,0.0,,,,,,
Cn1c(C(=O)NC2CCCCCC2)cc2c(=O)n(C)c3ccccc3c21,CID5307121,0.0,,,,,0.0,,,,,,,,,,,
CC12CCC(=O)N1C(C(=O)OCC(=O)Nc1cc(S(=O)(=O)N3CCCCC3)ccc1Cl)CS2,CID4841600,,,,,,,,,,,,,,0.0,,,
Cc1cc(C(=O)OCC(=O)c2cccs2)c2ccccc2n1,CID795666,,,,,,,,,,,,,,,0.0,,
CC(C)CN1CCN(Cc2nc(C(C)C)cs2)CC1CCO,CID16187283,,,,,,,,,,,,,,,0.0,,
COC(=O)C(C(=O)Nc1ncccn1)C1CCCCCC1,CID2945384,,0.0,,,0.0,,,0.0,0.0,,,,0.0,,,,0.0
c1ccc(CSCc2cn3ccsc3n2)cc1,CID2997803,,,,,0.0,,,,,,,,,,0.0,,
O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)cc2o1,CID2997804,,,,0.0,,,,,0.0,0.0,0.0,,,,,,
CC(C)CN(C(=O)COC(=O)c1ccc2c(c1)NC(=O)CS2)C1CCS(=O)(=O)C1,CID2997805,,,,0.0,1.0,,0.0,,,,0.0,,,,,,
O=C(C1CCCN1C(=O)c1cccs1)N1CCc2ccccc21,CID2997806,0.0,,0.0,,,,0.0,,,,,,,,,,
Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)OC3CCCC3=O)cc12,CID2997807,0.0,0.0,0.0,,0.0,0.0,,,,,,,0.0,,,,
Cc1ccc(C)n1-c1ncc(Br)cn1,CID3276508,,,,,,,,,,,,,,,0.0,,
O=C(O)c1ccc(Cn2nnc3sc4c(c3c2=O)CCCC4)cc1,CID733672,,,,,,,,,,,,,,0.0,,,
COc1cc2[nH]c(=S)nc(NCc3cccs3)c2cc1OC,CID4280122,,,,,,,,,,,,,,,0.0,,
O=C(Nc1cccc2ccccc12)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1,CID6504838,,,,,,1.0,,,,,,,,,,,
CC1CCCC(NC(=O)c2cccc(N3CCCC3=O)c2)C1C,CID5186457,,,,,,,,,,,,,,,0.0,,
O=C1OCc2cc(NC(=O)C3CCCO3)ccc21,CID648288,,,0.0,,,,0.0,0.0,,,,,0.0,,,0.0,0.0
CCn1ncc(CN2CCN(C(=O)Nc3ccccc3C(=O)OC)CC2)c1C,CID2206454,,0.0,0.0,0.0,,,,0.0,,0.0,,,,,,,0.0
O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1ccc2c(c1)OCCO2,CID1136384,,,,,,,,,,,,,,,0.0,,
CC(C)N(C(=O)CN1C(=O)C(=O)c2ccccc21)c1ccccc1,CID2142149,,,,,,,,,,,,,,,0.0,,
CCS(=O)(=O)N1CCC(C(=O)NCCN2CCN(Cc3ccccc3)CC2)CC1,CID3243314,,,,0.0,,,,,,,,,,,,,
CN1CCN(CCCNC(=O)c2ccc(CSCc3cccc(Cl)c3)o2)CC1,CID3238043,0.0,,0.0,0.0,0.0,0.0,,,,,,0.0,,,,0.0,0.0
CC(C)(C)n1ncc2c(=O)n(CC(=O)N3CCCc4ccccc43)cnc21,CID3238041,,0.0,0.0,,,,,0.0,,,,,,,0.0,,
O=C(CN1CCOCC1)N(c1ccccc1)c1ccc2ccccc2c1,CID648283,0.0,,,,,,,0.0,0.0,,0.0,,,,,,0.0
O=C(CSCc1c(Cl)cccc1Cl)NN1C(=O)c2ccccc2C1=O,CID1262560,,,,,,,,,,,,0.0,,,,,
O=c1nc(CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)[nH]c2ccccc12,CID4879718,,,,,,,,,,,,,,,0.0,,
CC1Oc2ccccc2C=C1/C=C1/SC(N2CCOCC2)=NC1=O,CID5733878,,,,,,0.0,,,,,,,,,0.0,,
O=C(CCCC(=O)OCC(=O)NC1CCCC1)Nc1ccccn1,CID647213,,,,,,,0.0,0.0,,,,,,,,,
COc1ccc(NC(=O)Cn2nnc(-c3ccc(CN4CCOCC4)cc3)n2)c(OC)c1,CID647214,,,0.0,0.0,,,,,,,,,0.0,,,,
COc1ccc(C(=O)Nc2cccc3c2C(=O)NC3=O)cc1S(=O)(=O)N1CCOCC1,CID2123807,,,,,0.0,,,0.0,,,,,0.0,,,,
Cn1c(=O)c2c(nc(SCc3cc4c(cc3Cl)OCO4)n2C)n(C)c1=O,CID1348125,0.0,0.0,,0.0,0.0,,,,,,,,0.0,,,,0.0
Cc1cccc(C(=O)Nc2ncc(CN3CCOCC3)s2)c1,CID1252103,0.0,0.0,0.0,0.0,0.0,,,,,,0.0,,,,,,
Cn1c(N)c(C(=O)COC(=O)c2nc(Cl)ccc2Cl)c(=O)n(C)c1=O,CID3651768,,,,,,,,,,,,,,,0.0,,
O=C(CC1Nc2ccccc2NC1=O)NCCCN1CCCCCC1,CID3242042,0.0,,0.0,,,,,0.0,0.0,,0.0,,,,0.0,0.0,
N#Cc1c(/N=C/c2ccco2)oc(-c2ccccc2)c1-c1ccccc1,CID656265,0.0,,,,,,,,,,,,0.0,0.0,,,
O=C(C1CCC(Cn2c(=S)[nH]c3ccccc3c2=O)CC1)N1CCOCC1,CID3242041,,,,,,,,,,,,,,,,0.0,0.0
Cc1n[nH]c(SCC(=O)NCc2cccs2)nc1=O,CID656263,0.0,,,0.0,,0.0,,,,0.0,,,,,,,
O=C(NC1CC1)c1ccc(S(=O)(=O)NC2CCCCCC2)cc1,CID656261,0.0,,0.0,,0.0,,,,,,,,,0.0,,,
O=C(C1CC1)N1CCc2cc(S(=O)(=O)NC3CCN(Cc4ccccc4)CC3)ccc21,CID3236224,,,,,,0.0,,0.0,,,,0.0,0.0,,,,
CCN(CC)S(=O)(=O)N1CCC(C(=O)NC2CCCc3ccccc32)CC1,CID3236220,,,0.0,,,,0.0,,,0.0,,,,,,,
O=C(N/C(=C/c1ccc(Br)cc1)C(=O)N1CCCC1=O)c1ccco1,CID2192703,,,,,,,,,,,,,,,0.0,,
CC1(C)NC(=O)N(CC(O)CN2CCCCC2)C1=O,CID650277,,0.0,,,,,,,0.0,,,,,0.0,,0.0,
COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3ccc(C(=O)O)cc3)s2)c1,CID1870462,,,,,,,,,,,,,,0.0,,,
O=C(COC(=O)CCC(=O)c1cccs1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1,CID2998475,,,,,0.0,,,,,,0.0,,,,0.0,,
CCOc1cc(C(=S)N2CCCC2)ccc1OCC(=O)Nc1c(C)cc(C)cc1C,CID1294802,,,,,,,,,,,,0.0,,,,,
CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1,CID3957,,0.0,0.0,0.0,,,,,,,,,0.0,,,,
CCN(c1ccccc1)S(=O)(=O)c1ccc(NCC2COc3ccccc3O2)nc1,CID2998477,,,,,0.0,0.0,,,,,,0.0,,,,,0.0
CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1-n1nc(C)cc1C,CID663302,,0.0,,,,,,,,0.0,,,,,,,
CCn1cc(/C=C/C(=O)Nc2c(C)nn(Cc3ccccc3C)c2C)cn1,CID1001179,,,,,,,,,,,,,,,0.0,,
COc1ccc(-c2cc(-c3cccs3)c(C#N)c(SCC(=O)NCc3ccco3)n2)cc1,CID644742,,,,,,,,,,0.0,,,,0.0,,,
Cc1ccnc(Nc2nc(-c3c(C)nc4sccn34)cs2)c1,CID644740,0.0,0.0,,0.0,0.0,,0.0,,0.0,0.0,,,,,,,
Cc1ccc(S(=O)(=O)NCc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)o2)cc1,CID1138736,,,,,,,,,,,,,,,0.0,,
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCC1)n2CCSc1nc2ccccc2[nH]1,CID1081559,,,,,,,,,,,,,,,0.0,,
COc1ccc(S(=O)(=O)NCC2CCCN(Cc3cccnc3)C2)cc1,CID16189549,,,,,,,,,,,,,,0.0,,,
O=C1CSC(c2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)N1Cc1ccco1,CID3236880,,,0.0,,,0.0,,,,,,,,,,,
CCOC(=O)N1CCC(NC(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)CC1,CID3236882,,,,,,,,,,,,,,,,0.0,0.0
O=C(NCC1CCC(C(=O)O)CC1)OCc1ccccc1,CID3723035,,,,,,0.0,,,,0.0,,,,,,,
O=C(O)c1ccn(Cn2cnc3ccccc32)n1,CID3236888,,,,0.0,,0.0,,,0.0,,,,,,,,
O=C(O)C1CCC(CNCc2cccnc2)CC1,CID3237179,,0.0,,0.0,,,,,,,,,0.0,,,,
O=C(c1ccco1)N1CCN(c2cc(=O)n(C3CCCCC3)c(=O)[nH]2)CC1,CID3237172,0.0,,,,,,,0.0,,,,0.0,,,,,
CCN1CCN(CCCNC(=O)C2c3ccccc3C(=O)N(C)C2c2ccc(OC)cc2)CC1,CID3237177,,,,,,,,,,,,,,,,0.0,0.0
CC(=O)OCC12COC(C)C(C1)C(C)=CC2C,CID3094324,,,,,,0.0,,,,,,,,,,,
O=C(COC(=O)C1CCC1)NCc1ccccc1Cl,CID2434303,0.0,,,0.0,,0.0,,,,,,,0.0,0.0,,0.0,
COc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2Cc1ccc(C)cc1,CID2135469,,,,,,,,,,,,,,0.0,,,
Cc1nc2cc(Nc3ccncc3)ccc2s1,CID2237730,,,,,,,,,,,,,,,0.0,,
O=S(=O)(NC1CCN(Cc2ccccc2)CC1)c1cccc2cccnc12,CID3244053,0.0,,0.0,,0.0,0.0,,,,,,,,,,,
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3nc4ccccc4s3)o2)c1,CID2545651,,,,,,,,,0.0,,0.0,,,,,,
O=C1CC2CS(=O)(=O)CC2N1c1ccc(Cl)cc1Cl,CID3244059,,,,,,,0.0,,,,,,,,,,
COc1cccc(C2CC3C(=O)C=CC2N3Cc2ccccc2)c1,CID4170685,,,,,,,,,,,,,,0.0,,,
CCn1c(C(=O)N2CCC(C(=O)NCCCSC3CCCCC3)CC2)cc2sccc21,CID5307892,,,0.0,,,,,,,,,,,0.0,,,0.0
CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)NCc3cccs3)ccc21,CID5307890,,,0.0,,,,,,,,,,,,,,
O=C(C(Cc1ccccc1)n1cccc1)N1CCN(C2CCCCC2)CC1,CID5307899,0.0,0.0,,0.0,,,,,,,,,0.0,,,,
O=S(=O)(c1ccc(NC(=S)NN=C(Cc2ccccc2)Cc2ccccc2)cc1)N1CCOCC1,CID4424444,,,,,,,,,,,,,,0.0,,,
CCCOc1ccccc1N/C(=N\C(=O)COc1ccc(OC)cc1)Nc1nc(C)cc(C)n1,CID1602827,,,,,,,,,0.0,,,,,,,,
Cc1cc([N+](=O)[O-])ccc1NCc1ccc2ccccc2c1,CID2851202,,,,,,0.0,,,,,,0.0,,,,,
COC(=O)c1sccc1NC(=O)C1C2C=CC(O2)C1C(=O)O,CID2931483,,,,,,,,,,0.0,,,,,,,0.0
Cc1nc(S/C(=C\c2ccc(OCc3ccccc3Cl)cc2)C(=O)O)n[nH]1,CID1596882,,,,,,0.0,,,,,,,,,,,
CC(=O)N1CCN(c2ccc(N/C=C3\C(=O)NC(=O)N(Cc4ccccc4)C3=O)cc2)CC1,CID5389908,,,,,,,0.0,,,,,,,,,,
O=C1CC(N(Cc2ccco2)C(=O)Nc2ccc(F)cc2)C(=O)N1c1ccc(F)cc1,CID2958833,,,,,,,,,,,,,,,,0.0,
O=C(CCN1C(=O)c2ccccc2C1=O)N(CCO)Cc1ccccc1,CID1300764,,,,,,,,,,,0.0,,,,,,
O=C(COC(=O)c1ccc(=O)n(Cc2ccccc2)n1)Nc1ccc2c(c1)OCCO2,CID2128937,,,0.0,0.0,,,,,0.0,,,,0.0,,,0.0,
Cc1cc(C(=O)OC(C)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c(C)o1,CID4160670,,,,,,,,,,0.0,,,,,,,
COC(=O)c1cnn2c3c(c(C)nc12)CCCC3,CID3242827,,,,,,,,0.0,,,,,,,,,
O=S(=O)(Cc1ccccc1)C1=C(N2CCOCC2)CCCCCC1,CID3242828,,,,,,,0.0,,,,,,,,,,
O=C(NCC1CCCO1)c1cc(C(=O)C2CC2)c[nH]1,CID2765990,,,,,,,,,,,,0.0,,,,,
CCn1c(C(=O)N2CCC(C(=O)NCc3ccc4c(c3)OCO4)CC2)cc2sccc21,CID5308519,0.0,,0.0,,,,,0.0,0.0,,,,,,,,
O=C(Cn1cc2c(n1)CCCCC2)N1CCCCC1,CID5308516,,0.0,,,,,,,,,0.0,,0.0,,0.0,0.0,0.0
Cc1cc(C)n(-c2ncc(-c3ccccc3)nn2)n1,CID5308515,,0.0,,,,0.0,,0.0,,,,,,,,,
Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)N1CCCc2ccccc21,CID5308511,0.0,,,,,,,,,,,,0.0,,,,
O=C(NC1CCCc2ccccc21)C1CCN(c2c(N3CCCC3)c(=O)c2=O)CC1,CID5308510,0.0,,,,,,,,,,,,,,,,
O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1cc(-n2cnnc2)ccc1Cl,CID1017703,,,,,,,,,,,0.0,,,,,,
Cn1c(SCCSc2nnc(-c3ccccc3)n2C)nnc1-c1ccccc1,CID2291950,,,,0.0,,,,,,,,,,,,,
CC1=C/C(=C(/C)NNc2cc(-c3ccccc3)nc(-c3ccccc3)n2)C=CC1=O,CID5916847,,,,,,,,,,,,,,0.0,,,
OCC1(CCOc2ccccc2)CCN(Cc2cn[nH]c2-c2ccccc2)CC1,CID16191301,,,,,,,,,,,,,,,0.0,,
CN1C(=O)N(C)C2CC1N(C)C(=O)N2C,CID755720,,,,0.0,,,,,0.0,,,,,,,,
Cc1ccccc1NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1,CID2570923,,,,,,,,,,,,,,0.0,,,
CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1Cn1ccnc1,CID3238689,,,,0.0,,,0.0,0.0,0.0,,,,,,,,
O=C(NC(Nc1ncccn1)C(=O)c1ccccc1)c1ccccc1,CID2836123,,0.0,,,,,,,,,,0.0,0.0,,0.0,,
O=c1c2ccc3c(=O)n(Cc4cccnc4)c(=O)c4ccc(c(=O)n1Cc1cccnc1)c2c34,CID2925566,,,,,,,,,,,,0.0,,,,,
CC(=O)NC(c1ccccc1)C1C(=O)N(c2ccccc2)N=C1C,CID2853999,,,,,,0.0,,,,,,,,,,,
CCOC(=O)N1CCN(C(=O)c2ccc(C#CC3(O)CCCCC3)cc2)CC1,CID1373015,0.0,0.0,0.0,,0.0,,,0.0,0.0,0.0,,,,,,,0.0
CCCn1c(=O)c2c(C(=O)OCC)cc(-c3ccco3)nc2n(CCC)c1=O,CID2473638,,,,,,,,,,,,,,,0.0,,
O=C(c1ccc(C#CC2(O)CCCCC2)cc1)N1CCN(Cc2ccccc2)CC1,CID1373012,,,,,,0.0,,,,,,,,,,,
Cc1c(C(=O)OCc2cc(=O)n3cc(Br)ccc3n2)oc2ccccc12,CID2127829,0.0,,,,,,0.0,,0.0,,0.0,,,,,,
O=[N+]([O-])c1ccc(N2CCCC2)cc1NC(c1ccccc1)c1ccccc1,CID2870665,,,,,,,,,,,,0.0,,,,,
Cc1ccc(C)c(N(CC(=O)NN=C2CCCCCCC2)S(C)(=O)=O)c1,CID987572,,,,,,0.0,,,,,,,,,,,
Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1,CID2323451,0.0,,,,0.0,,,0.0,,,,,,,,0.0,0.0
Cc1nc(-c2cccc(NS(=O)(=O)c3cccc4ccccc34)c2)cs1,CID1834005,,,,,,,,,,,0.0,,,,,,
COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)CCNC(=O)c2ccco2)cc1,CID2552345,,,,,0.0,,,0.0,0.0,,,,,0.0,,,
CSC1=NNC(=C2C=CC(=O)C=C2)N1C,CID5523405,,,,,,0.0,,,,,,,,,,,
Cc1nnc(SCCn2c(N3CCN(Cc4ccccc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)s1,CID666117,,0.0,,,,,0.0,,,,,,,,,0.0,
COc1cc2c(cc1OC)C1(N=C3C2=C(c2ccccc2)NN3c2ccccc2)C(=O)Nc2ccccc21,CID5337455,,,,,,,,,,,,,,,0.0,,
Cn1c2c(c(=O)[nH]c1=O)C(c1ccc(OCc3ccccc3)cc1)C1=C(N2)c2ccccc2C1=O,CID2887078,,,,,,0.0,,,,,,,,,,,
CC(C)C(NS(=O)(=O)c1cccc2nsnc12)C(=O)N1CCc2ccccc2C1,CID3242785,0.0,,0.0,,0.0,0.0,,,,,,,,,,0.0,0.0
O=C(NC(=S)Nc1ccc(CN2CCCCC2)cc1)c1cccc(OCc2ccccc2)c1,CID2223214,,,,,,,,,,,,,,,0.0,,
COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1cn(Cc2ccc(Br)cc2)nc1-c1ccccc1,CID3469746,,,,,,,,,,,,0.0,,,,,
Cc1nc2ccccn2c1C(=O)NNC(=S)Nc1ccc(Cl)cc1,CID1234186,,,,,,,,,,,,,,0.0,,,
O=C1N=C(N2CCCCC2)SC1=C1CCCC1,CID781754,,0.0,,0.0,0.0,0.0,0.0,,,,,,,,,,
Cc1cccc(-n2cnc(C(=O)NNC(=S)Nc3ccccc3)c2)n1,CID1485012,,,,,,,,,,,,,,,0.0,,
O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nnc(-c2ccccc2)o1,CID2361005,,,,,,,,,,,,,0.0,,,0.0,0.0
CCC(C)(C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)Cc1cccs1,CID3242787,,,,,0.0,,,,,0.0,,,,,,,
COc1ccc(C(=O)N2CCC(C(=O)NCc3ccccn3)CC2)cc1,CID2921316,0.0,0.0,,,,,,0.0,0.0,,,,,,,,
O=C(CCN1CCN(Cc2ccccc2)CC1)Nc1ccc(OCc2ccccc2)cc1,CID3819199,,,,,,,,,,,0.0,,,,,,
COC(=O)c1ccc(NC(=S)Nc2ccc3ccccc3c2)cc1,CID726344,,,,,,,,,,,,0.0,,,,,
CC(C)NC(=O)CSc1nc2ccccc2n1CC(=O)N1CCc2ccccc21,CID650413,0.0,,,,,,,,,,0.0,,,,,,
O=S(=O)(Cc1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1,CID1360490,0.0,,,,0.0,0.0,0.0,,,,,,,,,,0.0
CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CN3CCN(Cc4ccccc4)CC3)c12,CID662144,0.0,,,0.0,,,,,,,,0.0,,,,,0.0
CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CN3CCSCC3)c12,CID662140,,,,,0.0,,,0.0,,,,,,,,,
COc1ccc(CCNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OC,CID1150890,,,,,,,0.0,,,,,,,,,,
CC1(C)NC(=O)N(CCCOc2ccc3c(c2)CCC3)C1=O,CID2216518,,,0.0,,0.0,,,0.0,,,0.0,0.0,,,,,0.0
O=C(NCCC1=CCCCC1)C1CCN(c2nc3ccccc3o2)CC1,CID4575322,,,,,,0.0,,,,0.0,,,,,,,
COc1ccc2[nH]c3nc(SCC(=O)NNC(=O)c4ccc(OC)c(OC)c4)nnc3c2c1,CID5770458,,,,,,,,,,,,,,0.0,,,
CC(C)C1(C)N=C(c2nc3ccccc3cc2C(=O)O)NC1=O,CID54739,,,,,,,,,,,0.0,,0.0,,,,0.0
c1ccc(-n2c(-c3ccncc3)nnc2N2CCOCC2)cc1,CID2324392,,0.0,,,,,,,,,,,,,,,
COc1cc2c(cc1NC(=O)COC(=O)C1CC(=O)N(Cc3ccco3)C1)oc1ccccc12,CID2998223,,,,,,,,,0.0,,,,0.0,,,,
CCN1C(=O)S/C(=C/c2ccsc2)C1=O,CID5737793,,,,,,,,,0.0,0.0,,,,,,,
C=CCN1C(=O)NC(=O)/C(=C(/C)NC2CC2)C1=O,CID5389646,,0.0,,,,,,0.0,,,,,,,,,
CCC1=C/C(=C2\NNC=C2c2ccc3c(c2)OCO3)C(=O)C=C1O,CID5742573,,,0.0,,,,,,,,,,0.0,0.0,,,
Cc1nn(Cc2ccc(Br)cc2)c(C)c1NC(=O)c1nn(C)cc1Cl,CID1259751,,,,,,,0.0,,,,,0.0,,,,,
Cc1cc(Cl)c(OCCOCCN2CCCCC2)c(Br)c1,CID2298294,,,,,,,,,,,,,,,0.0,,
CC1Cn2c(nnc2C(=O)c2ccccc2)S1,CID2972732,,0.0,,,,,,,,,,,,,,,
COc1ccc(-c2nn(CC(=O)N3CCCCC3)c(=O)c3ccccc23)cc1,CID1387766,,,,,,0.0,,,0.0,0.0,,,,,,,
CC1(C)CNC(=O)c2sc(N3CCOCC3)nc2C1,CID624590,,0.0,,0.0,,,,,,,,0.0,0.0,,,,
Cc1oc(-c2cccs2)nc1CSCC(=O)N1CCC2(CC1)OCCO2,CID6622134,,,,,,0.0,,,,,0.0,,,,,,
O=C(c1ccc(S(=O)(=O)c2cccc(Cl)c2)c([N+](=O)[O-])c1)N1CCN(c2ccccn2)CC1,CID6002117,,,,,,,,,,,,,,,0.0,,
O=C(CSc1nnc(-c2ccco2)n1CC1CCCO1)NC1CCCC1,CID649524,,,0.0,,,,,,,,,,,,,0.0,0.0
Cc1ccc2c(c1)N(CC(=O)N1CCCCC1c1cccnc1)C(=O)CO2,CID649525,,,,,0.0,,,0.0,,,,,,,,,
CCOC(=O)c1c(NC(=O)CSc2nnc(CNc3ccc(OC)cc3)n2C)sc(C)c1C,CID649528,,,,0.0,,,,,0.0,0.0,,0.0,,,,0.0,0.0
O=C(CSc1nnc(CNc2ccc(F)cc2)n1Cc1ccco1)N1CCOCC1,CID1154963,,,,,,,,,,,0.0,,,,,,
CC1(O)CC(=O)N(c2ccccc2)O1,CID2860669,,,,,,0.0,,0.0,,,,,,,,,
CCOc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccccc2C)cc1,CID4374468,,,,,,,,,,,,,,0.0,,,
Cn1c(SCC(=O)NCc2cccs2)nnc1-c1ccc(S(=O)(=O)N2CCCC2)cc1,CID647587,,,,0.0,0.0,,,,,,,0.0,,,,,
C(=C/c1ccccc1)\CSc1nnc(-c2cccnc2)o1,CID1581526,0.0,0.0,,,0.0,,0.0,,,,,,0.0,0.0,0.0,0.0,
Cc1cc(=O)n(C)c(=O)n1CC(=O)N1CCCCCC1,CID717800,,,,,,,,0.0,0.0,,,,0.0,,,,
COC1=C/C(=C/C(C(=O)c2cccs2)=C2Nc3ccccc3N2)C=CC1=O,CID6165705,,,,,,,,,,,0.0,,,,,,
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=S)NCCCn1ccnc1,CID4403205,,,,,,,,,,,,,,,0.0,,
Cn1c(C(=O)NCC2CCCO2)cc2c(=O)[nH]c3ccccc3c21,CID3245449,,,,0.0,0.0,,,,,,,,,,,,
O=C(Cn1c(=O)oc2ccccc21)N1CCN(c2ccccc2)CC1,CID2604334,,,,,,,0.0,,,0.0,0.0,0.0,,,,,
O=C(CSc1nnc(CCCO)n1-c1ccccc1)Nc1nccs1,CID1811597,,,0.0,,0.0,,,,,0.0,,,0.0,,,0.0,0.0
CN(C(=O)COc1ccccc1C(=O)NCCOc1ccccc1)c1ccccc1,CID1811598,,,,,,,,,,,,,,0.0,,,
CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc3c(c2)OCCO3)c1C,CID3239225,0.0,0.0,0.0,,0.0,0.0,1.0,,0.0,,,,,,,,
Cc1ccc(CNC(=O)C2c3ccccc3C(=O)N3CCc4ccccc4C23)o1,CID3239223,,,,,0.0,,,,,,,0.0,,,,,0.0
Cc1cc(C(=O)N2CCCCCC2)cs1,CID1247215,,,,,0.0,,,,,0.0,,,0.0,,0.0,,
Cc1ccc(C2C3COCC=C3C(C#N)=C(N)C2(C#N)C#N)o1,CID660157,,0.0,,,,,,,,,,,0.0,,,,
O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCCC1=CCCCC1,CID934399,,,,,,,,0.0,,,,,,,,,
CCc1c(C(=O)Nc2ccncc2)csc1C,CID1246563,,,,1.0,0.0,,,0.0,,,,,,,,,0.0
Cc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)C(C(=O)NC3CCCC3)c3ccco3)n2)o1,CID646873,0.0,,,,,,,,,,,,,,,0.0,0.0
CC(=O)Nc1ccccc1OCC(=O)c1cc(C)n(Cc2cccs2)c1C,CID2524461,,,1.0,,0.0,,0.0,0.0,,,0.0,,,0.0,,,
Cc1ccc(-c2noc(C3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)n2)o1,CID646874,,,0.0,,,,,0.0,,,0.0,,,,,0.0,0.0
N#Cc1c(Cn2cncn2)nc(=O)n(-c2ccc(Cl)cc2)c1N,CID1475763,,,,,,,,,,,,,,,0.0,,
O=c1[nH][nH]c2cc(=O)n(-c3ccc(Cl)cc3)nc12,CID1475762,,,,,,,,,,,,,,,0.0,,
O=C(OCCN(CCOC(=O)c1ccncc1)S(=O)(=O)c1cccs1)c1ccncc1,CID2343141,,,,,0.0,,,,,,0.0,,0.0,,,0.0,0.0
Cn1cc(Br)c(C(=O)N/N=C/c2cccc(OC3CSC3)c2)n1,CID1222846,,,,,,,,,,,,,,,0.0,,
Cc1ccc2occ(CN3CC4CC(C3)c3cccc(=O)n3C4)c(=O)c2c1,CID2857420,,,,,0.0,0.0,,,,,,,0.0,,,0.0,
Cc1occc1-c1nnc(SCC(=O)Nc2nc3ccccc3s2)o1,CID1862450,,,,,,,,,0.0,,0.0,,,0.0,,,
COc1cccc(NC(=O)c2cc(C(=O)Nc3cccc(OC)c3)n(C)n2)c1,CID659446,0.0,,,,,,,,,,,0.0,,,,,0.0
NC(=O)CSc1nc2cc3c(cc2c(=O)n1CCCC(=O)NCc1ccc2c(c1)OCO2)OCO3,CID4055406,,,,,,,,,,,,,,0.0,,,
Cc1nnc(SCCC#N)n(CCC#N)c1=O,CID659445,,,,,,,,,,,,0.0,,,,,
CCOc1[nH]c(/N=C/c2ccco2)c(C#N)c1C#N,CID659440,,0.0,,0.0,,,,0.0,,,,,,0.0,0.0,,
Cc1cc(C(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)c(C)o1,CID2650191,,,,,,,,,,,,,,,,,0.0
CN1C(SCC(=O)NCc2ccco2)=NN/C1=C1\C=Nc2ccccc21,CID5310071,,,,,,0.0,,,,,,,,,,,
Cc1nc2ccc(C(=O)OCc3ccccc3Br)cc2nc1C,CID2233435,,,,,,,,,,,,0.0,,,0.0,,
CC(NC(=O)CCC(=O)NC(C)C1COc2ccccc2O1)C1COc2ccccc2O1,CID650120,,,,,,,,0.0,,,,,,,,,0.0
O=C(Cc1ccc(-n2cnnn2)cc1)NC12CC3CC(CC(C3)C1)C2,CID650121,,0.0,0.0,0.0,,,,0.0,,,,,,,,,
O=C(CCCc1c[nH]c2ccccc12)N1CCCCCC1,CID650126,,,,,0.0,,,,,,,0.0,,,,0.0,
Cc1cc(C)c2[nH]c(=O)c(CN(CC3CCCO3)C(=O)C3CCCO3)cc2c1,CID650124,,,,,0.0,0.0,,,,,,0.0,,,,,
Nc1nc(SCCN2C(=O)c3ccccc3C2=O)n[nH]1,CID735118,,,,,,,,,,0.0,,0.0,,,,,
O=C(NC(=S)Nc1ccc(N2CCCCC2)cc1)c1cccs1,CID716779,,,,,,,,,,,,,,0.0,0.0,,
O=C(Nc1nccs1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1,CID2666570,0.0,,0.0,,0.0,0.0,0.0,,,,0.0,,,0.0,,0.0,
CCOC(=O)COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3cccnc3)C2=O)cc1OC,CID9541048,,,,,,,,,,,,,,,0.0,,
O=C(CSc1ncn(-c2ccccc2)n1)Nc1nc2c(s1)CCCC2,CID2940142,0.0,0.0,0.0,0.0,0.0,,,,0.0,0.0,,,,,,0.0,0.0
O=C(C1=CC2=NC(c3ccco3)CC(C(F)(F)F)N2N1)N1CCc2ccccc2C1,CID5738574,,,,,,,,,,0.0,,,,,,,
O=C(Cc1cccs1)Nc1ccc(N2CCOCC2)cc1,CID720218,,0.0,0.0,,,0.0,0.0,,,,,,0.0,,,0.0,
Cc1ccc(/C=C2/C(=O)NC(=O)N(CC3CCCO3)C2=O)s1,CID5735143,,,,,,,,,,,,,,,0.0,,
O/N=C/CCn1c(=S)sc2ccccc21,CID2842765,,,,,,,0.0,,,,0.0,,0.0,,,,
COc1ccc(C(=O)/C(=C/c2cccs2)c2nc3ccccc3o2)cc1,CID5735148,,,,,,,,,,,,0.0,,,,,
CN(C)/C=C1\C(=O)c2ccc(N(C)C)nc2CC1c1ccccc1,CID658710,,0.0,,,0.0,,,0.0,,,,,0.0,,,0.0,
COC(=O)c1c(NC(=O)C2COc3ccccc3O2)sc2c1CCN(C(C)=O)C2,CID5055645,,,,,,,,,,,,,,,0.0,,
Cc1nc(SCC(=O)N2CCc3ccccc32)n[nH]1,CID941675,,,,,,,,,,0.0,,0.0,,,,,
COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1OC,CID3235661,,,,,0.0,,,,,,,,,,,,0.0
O=C(NCc1ccco1)C1CCCN(S(=O)(=O)c2cccc3nsnc23)C1,CID3235664,,,0.0,,0.0,,,,,,,,,,,0.0,0.0
CCc1nn(C(C)C(=O)NCCN2CCN(c3cccc(C)c3C)CC2)c(=O)c2cc3occc3n12,CID3235665,,,,,,,0.0,,,,,,,,,,0.0
O=C(NC(C(=O)c1ccccc1)N1CCOCC1)c1cccs1,CID3235666,0.0,,,0.0,0.0,,0.0,,,,,,,,,,
O=C(CCn1c(=S)oc2ccccc21)Nc1ccc2c(c1)OCCO2,CID3235668,0.0,,,0.0,0.0,,,0.0,,,0.0,,,,,,
Cc1cc(C)c(C#N)c(SC2CCCCC2=O)n1,CID2791348,,,,,,,,,,,,,,,,,0.0
Oc1ccc(C2C(c3ccccc3)=NN=C(c3ccc(Cl)cc3)N2O)c(O)c1,CID4164976,,,,,,,,,,,,,,,0.0,,
COc1ccc(OCC(=O)N/N=c2\oc3c(OC)cccc3cc2C(N)=O)cc1,CID4164977,,,,,,,,,,,,,,0.0,,,
Cc1nc2c3cc(F)ccc3n(Cc3ccccc3)c2s1,CID2039005,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)CCc2nnc(NC(=O)COc3cccc(C)c3)s2)cc1,CID1440651,,,,,,,,,,,,0.0,,0.0,,,
COc1ccc(-c2nnc(SCc3csc(N)n3)n2C)cc1,CID1300486,,0.0,,,0.0,,,,0.0,,,,,,,,
CC(C)=CCN1CCN(Cc2cccn2-c2nccs2)CC1CCO,CID16187328,,,,,,,,,,,,,,0.0,,,
O=C(Cc1ccsc1)N1CCc2c([nH]c3ccccc23)C1c1ccccn1,CID16187326,,,,,,,,,,,,,,,0.0,,
O=S(=O)(c1cccc2ccccc12)N1CCSC1,CID1311300,,,0.0,,,,0.0,,,0.0,0.0,,0.0,,,,
O=C(NCc1cccnc1)c1nnc(Cc2ccc(F)cc2)o1,CID5309957,,0.0,,,,,,0.0,,,,,,,,,
O=C(/C=C/c1ccco1)NC(=S)Nc1ccc(N2CCOCC2)c(Cl)c1,CID1345107,,,,,,,,,,,,0.0,,,,,
CCOc1ccc(NC(=S)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1,CID1237579,,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccccc1Cl)N1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1,CID5309959,,,,,,,,,,,,0.0,,,,,
c1cncc(-c2nc3cc(Cc4ccc5oc(-c6cccnc6)nc5c4)ccc3o2)c1,CID646606,0.0,,,0.0,,,,,,,,,,,,,
COc1ccccc1C1(CC(=O)Nc2nccs2)CCOC(C(C)C)C1,CID2965349,,,,,,0.0,,,,,,,,,0.0,,
CC1(C)CC(N(Cc2cccs2)C(=O)c2ccco2)CCO1,CID2965347,0.0,,0.0,,,,,,,0.0,,,,,0.0,,
CC(=O)C1=C(N2CCCCC2)CCC1=O,CID788502,,,,,,,,,,0.0,,,,,,,
O=C(c1ccc(Cn2c(=S)[nH]c3cc4c(cc3c2=O)OCO4)cc1)N1CCN(c2ccccc2)CC1,CID16004068,,,,,,,,,,,,,,0.0,,,
Cc1cccc(NC(=O)Cn2nnc(-c3ccc(CN4CCCC4)cc3)n2)c1C,CID646042,,,,,,,,,,0.0,,,,,,,0.0
COc1ccccc1NC(=S)N1CCN(C(c2ccccc2)c2ccccc2)CC1,CID1075983,,,,,,,,,,,,,,0.0,,,
COc1cc(OC)cc(C(=O)Nc2cccc(N3CCCC3)c2)c1,CID847874,0.0,,0.0,0.0,,,0.0,,,,,0.0,0.0,,,,
O=C(Nc1cccc(N2CCCC2)c1)c1cccs1,CID847872,0.0,,0.0,0.0,0.0,,,,,,,,,,,,
O=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1ccc2nccnc2c1,CID5307130,,,,0.0,,,,,,,,,,,,,
CCN(CCCNC(=O)Cn1ncc2c(=O)oc3ccccc3c21)c1cccc(C)c1,CID5307131,0.0,,,,,0.0,,0.0,,,,,,,,,
O=C(Nc1cccc(NC(=O)c2cccnc2)c1)c1cccnc1,CID693631,,0.0,,0.0,,,0.0,,,,,,,,0.0,,
COC(=O)C1C2CCC(C(=O)Nc3ccccc3)(CC2)C1C(=O)OC,CID657474,,,0.0,,,,,0.0,,,,,,,,,0.0
O=C(CN1CCC(n2nnc3cc(F)ccc32)CC1)N1CCCc2ccccc21,CID650975,,,,,,,0.0,,,,,0.0,,,,,
O=C(Nc1ccccc1)N(C1=NCCCCS1)c1ccccc1,CID650974,0.0,,,,,,,,,,,0.0,,,,,0.0
O=S(=O)(c1ccc(-n2cnnn2)cc1)N(C1CCCCC1)C1CCCCC1,CID650971,0.0,0.0,,,0.0,0.0,0.0,,,,0.0,,,,,0.0,
O=C(COC(=O)/C=C/c1ccc2c(c1)OCO2)Nc1ccc(S(=O)(=O)N2CCCC2)cc1,CID2384745,,,,,,,,,,,,,,,0.0,,
O=C(CSc1nnc(-c2ccco2)n1Cc1ccco1)N1CCOCC1,CID653951,,,,,,,,0.0,,,,,0.0,,,0.0,0.0
COc1cccc(C(=O)Nc2ccc(C3CC3(Cl)Cl)cc2)c1,CID2939312,,,,,,,,,,,,,,0.0,,,
CCCc1cc(C(=O)N2CCN(c3ccccc3C)CC2)cs1,CID1246661,0.0,,,,,,,,,,,,,,,,
COc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)nc2c1,CID2963750,,,,,,,,,,,,0.0,,,,,
CC(NNC(=O)c1ccccc1)=C1C(=O)CC(C)(C)CC1=O,CID739582,,,,,,,,,,,,,,,0.0,,
Cc1cccc(NCC(=O)N/N=C/c2ccccn2)c1,CID739589,,,,,,,,,,,,,,0.0,0.0,,
CSc1nc(O)c(C2OC(=O)c3ccccc32)c(=O)[nH]1,CID663399,,,,0.0,0.0,,,,,,,,,,,0.0,
COc1ccc(C(=O)Nc2nc(N3C(=O)c4ccccc4C3=O)n(-c3ccccc3)n2)cc1,CID1290337,,,,,,,,,,0.0,,,,,,,
Cc1sc2nc(CN(C(=O)c3cccs3)C3CCCC3)[nH]c(=O)c2c1C,CID656380,0.0,,0.0,0.0,0.0,0.0,0.0,,,0.0,0.0,,0.0,0.0,0.0,,
O=C(CSc1nnc2c3cc(F)ccc3nc(-c3ccccc3)n12)N1CCOCC1,CID656382,0.0,,0.0,,0.0,,,0.0,,0.0,0.0,,,,,,
CN1C(=O)c2ccc(S(=O)(=O)c3ccc(C(=O)O)cc3)cc2C1=O,CID763455,,,0.0,,0.0,,,0.0,0.0,0.0,,0.0,0.0,,,0.0,
CCN(CC)c1ccc(C=C2C(=O)OC(c3ccccc3)OC2=O)cc1,CID1260091,,,,,,,,,,,,,,0.0,,,
Clc1ccccc1-c1ccc(CN2CCN(c3ccccc3)CC2)o1,CID1375745,,,,,,,,,,0.0,,,,,,,
COc1cccc2cc(C(=O)NC3CC(C)(C)NC(C)(C)C3)c(=O)oc12,CID1046064,0.0,,0.0,0.0,,,,,0.0,,,0.0,,,,,0.0
C=CCn1c(SCC(=O)Nc2ccc3c(c2)CCC3)nnc1-c1cccs1,CID1046062,0.0,0.0,0.0,,0.0,,,,,,,,,0.0,,,
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CCCN3C(=O)c4ccccc4C3=O)cc2)n1,CID1079334,,,,,,,,,0.0,,,,0.0,0.0,,0.0,
Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)N3CCc4ccccc43)CC2)cc1,CID2571370,,,,,0.0,,,,,,,,0.0,,,0.0,
O=C(NC1CC1)c1ccc(COc2ccc(F)cc2)o1,CID3245602,,,,,,,,,,0.0,,,,,,,0.0
CCC(C)N1C(=O)/C(=C/c2ccc3c(c2)CCN3CCCCl)C(=O)NC1=S,CID6513263,,,,,,,,,,,,,,,0.0,,
O=C(NCc1cccnc1)c1cccc(NC(=O)c2ccco2)c1,CID976985,,0.0,,,,,,0.0,,,,0.0,0.0,,0.0,,
O=C(NCc1ccco1)C1CCN(c2ccc(N3CCOCC3)nn2)CC1,CID5309933,,,0.0,0.0,,,,0.0,,,,,0.0,,,,
Cc1c(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c(=O)n(-c2ccccc2)n1C,CID1129715,,,,,0.0,,,,0.0,,,,,,,,
O=C(c1cc(F)ccc1F)C1CCCN(C(=O)CCCN2CCCCC2=O)C1,CID16192184,,,,,,,,,,,,,,,0.0,,
O=C(Cn1c(=O)oc2ccccc21)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1,CID1090137,,,,,0.0,,0.0,,,,0.0,,,,0.0,0.0,0.0
O=C1C=CC=C/C1=C1\CC(C(=O)NCc2ccc3c(c2)OCO3)ON1,CID5769553,,,,,,0.0,,,,0.0,,,,,,,
Cc1cc(=O)n(CNC(=O)c2ccccc2)c(=S)[nH]1,CID775333,,,,,,,,,,0.0,,0.0,,,,,
CSc1nc(N)nc(SC2C=CCCC2)c1C#N,CID2962002,,,,,0.0,,,,,,,,,,,,
CCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccc(-n3nc(C)cc3C)cc2)cc1,CID2402009,,,,,,,,,0.0,,0.0,,,,,,
O=C(N1CCOCC1)C12CC3CC(C1)CC(n1cnc(Cl)n1)(C3)C2,CID4412498,,,,,,,,,,,,,,,0.0,,
COc1ccc([N+](=O)[O-])cc1N(CC1CO1)S(=O)(=O)c1ccc(C)cc1,CID3133073,,,,,,,,,,,,,,,0.0,,
CC(C)C(NC(=O)OCc1ccccc1)C(=O)NC1CCCCC1,CID4176929,,,,,,,,,,,,,,0.0,,,
O=C(Nc1nc(-c2cccc3ccccc23)cs1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O,CID2308160,,,,,,,,,,,,,,0.0,,,
CC1CCN(C(=S)NC2CCCCC2)CC1,CID724235,,,,,,,,,,,,,,,0.0,,
O=c1c2c3c(sc2nc2n1CCCCC2)CCCCC3,CID724238,,,,0.0,,,0.0,,,,,,,,,,
O=C(NCCN1CCOCC1)C1=CNN2C1=NC(c1cccs1)CC2C(F)(F)F,CID5347622,,,,,,,,,,,,,,0.0,,,
O=C(NCc1ccccn1)c1ccc(Cn2cc(Br)cn2)o1,CID1222688,0.0,,,,,,,,0.0,,,,,,,0.0,
COc1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1,CID648160,,,,,0.0,0.0,,,,,,,,,,0.0,
Cc1c(C(=O)N/N=C/c2ccccc2)sc(=S)n1C,CID880715,,,,,,0.0,,,,,,,,0.0,,,
CC1=C(C(=O)NC(C)c2ccc3c(c2)OCCO3)C2(CCC(C)CC2)OC1=O,CID5307912,,,0.0,,,,,,,,,,,,,,
Cc1ccccc1-c1nc(CN2CCC(C(=O)NC3CCN(Cc4ccccc4)CC3)CC2)c(C)o1,CID5307911,,,,,,,,,,,,0.0,0.0,,,,0.0
Cc1cc(C)cc(N(CC(=O)NCc2ccco2)S(=O)(=O)c2c(C)noc2C)c1,CID5307916,,,,,,,,,0.0,,,,,,,0.0,
O=C(CCCc1c[nH]c2ccccc12)N1CCN(c2ccc(N3CCOCC3)nn2)CC1,CID5307914,,,,,,,0.0,,,,,,0.0,,,,
Cn1c(=O)oc2cc(S(=O)(=O)N3CCC(C(=O)NCC4COc5ccccc5O4)CC3)ccc21,CID5307915,,0.0,,,,,,,,,,,,,,0.0,
CCCn1nc([N+](=O)[O-])c(C(C#N)c2nc3ccccc3o2)c(Cl)c1=O,CID3525489,,,,,,,,,,,,,,0.0,,,
CCOC(=O)N1CCC(NC(=O)c2cc3ccccn3n2)CC1,CID5307919,,0.0,0.0,0.0,,,0.0,,,,,0.0,,,,,
Cc1ccc(OCc2nnc(SCC(=O)CC(=O)Nc3ccccc3)o2)cc1,CID645557,0.0,0.0,,,0.0,,,,,0.0,0.0,0.0,,,,0.0,
O=C(Nc1cccc(OCC(=O)N2CCOCC2)c1)C1CCCCC1,CID973228,,,0.0,,,,0.0,0.0,0.0,,0.0,,0.0,,,,0.0
O=C(NC(=S)N(Cc1ccccc1)Cc1ccccc1)C1CCCCC1,CID2295422,,,,,,0.0,,,,,,,,,,,
CNC(=O)C(=O)NCC1OCCN1S(=O)(=O)c1ccc2c(c1)OCCO2,CID16194931,,,,,,,,,,,,,,0.0,,,
O=C(Nc1ccccc1Cl)NC1(C(=O)N2CCCC2)CCCCC1,CID1444562,,,,,,,,,,,,,,,0.0,,
Cc1ccc(-n2ncc(C#N)c2/N=C/N2CCOCC2)cc1,CID918470,,0.0,0.0,0.0,,,,0.0,,,,0.0,,,,,
O=C(c1ccc(F)cc1)c1ccc(N2CCCC2)cc1,CID704474,0.0,,0.0,0.0,,,,,,,,,,,,,
Cc1csc(SCc2nnc(-c3ccccc3Br)o2)n1,CID2532750,,,,,,,,,0.0,,,,,,,0.0,
COc1nc(OC)nc(N2CCC(C(=O)NCc3cccs3)CC2)n1,CID644670,,,,,,,,0.0,,,,,0.0,,,,
O=C(CSc1ncccc1C(=O)O)NCCC1=CCCCC1,CID3240761,,,0.0,0.0,,,,,,,,0.0,,,,0.0,0.0
Cc1nc2ncnn2c(C)c1CCC(=O)N1CCN(C(=O)c2ccco2)CC1,CID3240767,,0.0,0.0,0.0,,,,,,,,,,,,,
COc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NC2CCCCC2)o1,CID3235891,,,,0.0,,0.0,,0.0,,0.0,0.0,,,,,,
Cc1nc2sc(C(c3ccco3)N3CCc4ccccc4C3)c(O)n2n1,CID3235890,0.0,,0.0,,,,,,,,,,,,,,0.0
CCCCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)c1ccco1,CID665212,,,0.0,,,,,,0.0,,,,0.0,,,,
Cc1cc(C(=O)CSCc2nnc3n(CCC(C)C)c(=O)c4ccccc4n23)c(C)n1C,CID2119832,,,0.0,,,,0.0,,,,,,0.0,,,,
O=C(NCc1ccc(F)cc1)c1nc(-c2cccs2)no1,CID1508621,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C1=C(C)NC(=O)NC1c1c(C)nn(-c2ccccc2)c1Cl,CID2999664,0.0,,0.0,,,,0.0,,,,,,,,,0.0,
O=C(O)CC(Cc1ccccc1)c1ccc2c(c1)OCO2,CID2922170,,,,,,0.0,,,0.0,,,,,0.0,,,0.0
COc1ccc(/C=N/n2cnnc2)cc1COc1ccccn1,CID663420,,0.0,,0.0,,,,,,0.0,,,,,0.0,0.0,
CCOc1ccc(Oc2c(/C=N/NC(=O)C3CC3)c(C)nn2-c2ccccc2)cc1,CID2092715,,,,,,,,,,,,,,,0.0,,
c1ccc2c(c1)ncn2CCOCCOCCn1cnc2ccccc21,CID2871878,,,,,,,,,,,0.0,,,,0.0,,
COC(=O)c1sccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C,CID1259806,,0.0,,0.0,,,0.0,,,,,,,,,,
COc1cc(/C=N/NC(=O)c2sc(N)nc2C)cc(OC)c1OC,CID1036441,,,,,,,,,,,,0.0,,,,,
Cc1cc2c(cc1C)CSC(c1ccc(O)cc1)SC2,CID776618,,,,,,0.0,,,,,,,,,,,
COc1ccc(OCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1,CID5292220,,,,,,,,,,,,,,,0.0,,
Cc1cc(CN(C)C(=O)CC2C(=O)NCCN2CC(c2ccccc2)c2ccccc2)on1,CID16189213,,,,,,,,,,,,,,,0.0,,
COc1cc(C(=O)OCC(=O)NC2CCCC2)cc(NC(=O)c2ccco2)c1OC,CID2999423,,,0.0,,,,,0.0,0.0,,,,,,,,
C/C(=N\NC(=O)COc1c(C)cccc1C)c1cccs1,CID825949,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccc(-c2n[nH]c(=S)n2/N=C/c2cccn2C)cc1,CID668490,,,,,,,,,,,,0.0,,,,,
O=C1CC(N2CCOCC2)C(=O)N1Cc1ccc(N2CCCC2=O)cc1,CID661516,,,,,,,,,0.0,,,,,,,,
Cc1ccc(C(=O)n2cc(CCN3CCS(=O)(=O)CC3)c3ccccc32)cc1,CID1477637,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C(=O)n2nc(-n3cccc3)c3c(C)cc(C)nc32)cc1,CID1477633,,,,,,,,,,,,,,,0.0,,
CCc1cc2c(=O)c(-c3nc4ccccc4[nH]3)coc2cc1OC(=O)N1CCOCC1,CID661518,,,0.0,,0.0,0.0,0.0,,,,,0.0,,,,,
COc1ccc(C(=O)C2CN(C)CC2c2ccc(Cl)cc2)cc1,CID3701027,,,,,,,,,,,,,,,0.0,,
O=C(COc1cccc2ccccc12)Nc1nc2ccccc2[nH]1,CID2583317,,,,,,,,,,,,0.0,,,,,
NC(=O)c1ccc(N2CCCCC2)c(N2C(=O)C3CC=CCC3C2=O)c1,CID2928120,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(NC(=S)NC2CN3CCC2CC3)cc1,CID5349377,,,,,,0.0,,,,,,,,,,,
S=c1[nH]nc(-c2cc(-c3ccco3)[nH]n2)n1-c1cccc2ccccc12,CID1504034,,,,,,,,,,,0.0,,,,,,
S=C(c1ccc(N2CCOCC2)cc1)N1CCOCC1,CID893573,,,,,,,,0.0,,,,0.0,,,,0.0,
COc1ccc(CN(CC2CCCO2)C(=O)CN2C(=O)COc3ccccc32)cc1OC,CID3224942,,,,,,,,,0.0,,,,,,,,
N#CC1=C(N)Oc2n[nH]c(-c3cccs3)c2C1c1cccnc1,CID618107,,,,0.0,,,,0.0,,0.0,,,,,0.0,0.0,
CCOc1cccc(=O)c2c(C)n(Cc3ccco3)c(C)c12,CID672059,,,,,,,,,0.0,,0.0,,0.0,,,,
CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(=O)CC2c1cccnc1,CID5031850,,,0.0,,,,0.0,0.0,,,,,0.0,,,,0.0
CCOc1ccc2oc(C(=O)OCC(=O)NC(=O)NC3CCCC3)c(C)c2c1,CID2529893,,,,,,,0.0,,0.0,,,,,,,,
Cc1ccc2nc(SCCCCOc3ccccc3)[nH]c2c1,CID2129688,,,,,,,,,,,,0.0,,,,,
CN1CCOCCOCCN(C)C1=O,CID545836,,,,,,,,,,0.0,,,,,,,
O=S(=O)(Nc1ncccn1)c1ccc(Nc2ncnc3ccccc23)cc1,CID1078336,,,0.0,0.0,0.0,,0.0,,,,,,0.0,,0.0,,
COc1cccc(N(C(=O)c2ccn[nH]2)C2(C(=O)Nc3c(C)cccc3C)CCCCC2)c1,CID1205217,0.0,,0.0,,,,,,,,,,,,,,0.0
O=c1ccc2ccc[nH]c-2c1,CID11378,,,,,,,,,0.0,,,,0.0,,,,
Cc1ccc(C2=CS/C(=C(\C#N)C(=O)CN3CCN(C(=O)c4ccco4)CC3)N2)cc1,CID5742476,,,,,,,0.0,0.0,,,,,,,,,
Cc1ccc(S(=O)(=O)N2CCCC(NC(=O)N3CCN(c4ccccc4)CC3)C2)cc1,CID650489,0.0,,,,,,,,,,,,,,,,0.0
COC1=C/C(=C/C=C2/NC(=O)C(C)(C)O2)C=CC1=O,CID5742478,,0.0,,,,,,,,,0.0,,,,,,0.0
O=C(NCc1ccco1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1,CID1444953,,,,,,,,,,,,0.0,,,,,
COC(=O)N1CN(C(=O)OC)CN(C(=O)OC)C1,CID535796,,,,0.0,,,,,,,,,,,,,
Cc1ccc(C2(c3ccc(C)cc3)NC(=O)N(Cc3c(C)noc3C)C2=O)cc1,CID2388007,0.0,,,0.0,,,0.0,,0.0,,,0.0,0.0,,,,
Cc1ccc(OC(=O)CCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1,CID1334002,,,0.0,,0.0,,,0.0,0.0,,0.0,,0.0,,,,
O=c1[nH]c2c(c(=O)n1Cc1ccccc1)CCC2,CID694200,,,,,,,,,,,,0.0,,,,,
Cc1ccnc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)n1,CID3238562,,,,,0.0,,,,,,,,,,,,
O=C(CCNS(=O)(=O)c1cccc2nsnc12)NC1CCCc2ccccc21,CID3238564,,,,,0.0,,,,0.0,,,,,,,0.0,
O=C(Nc1sc2c(c1C(=O)NC1CCCCC1)CCC2)c1ccco1,CID1245572,0.0,0.0,,,0.0,,,,,,0.0,,0.0,,,,
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1,CID1904866,,,,,,,,,,,,,,0.0,,,
Cc1[nH]c2ccccc2c1C1=CN2CCS(=O)(=O)N=C2S1,CID2388859,0.0,0.0,0.0,,0.0,,0.0,,,0.0,0.0,,,,0.0,,0.0
CCn1c2ccccc2c2nnc(SCC(=O)NCc3cccs3)nc21,CID2999279,,0.0,,,0.0,,,,,,,,0.0,,,,0.0
O=C(COC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)NCc1ccc2c(c1)OCO2,CID2374230,0.0,0.0,0.0,0.0,0.0,,0.0,,,,,0.0,,,,,0.0
CCCN1C2=NS(=O)(=O)CCN2c2ccccc21,CID2388852,,,0.0,,,,,,,,,,0.0,,,,0.0
COc1ccc(C2=C(c3ccc(OC)cc3)N3CCS(=O)(=O)N=C3S2)cc1,CID2388857,,,,,,,0.0,,,,0.0,,,,,,
CCOC(=O)c1sc2nc(NC(=O)C(C)(C)C)sc2c1C,CID4441495,,,,,,,,,,0.0,,,,,0.0,,
O=C1CC(=O)N(CCc2ccccc2)C(=O)N1CCc1ccccc1,CID2187415,,,0.0,,,,0.0,,0.0,,,,,,,,
Cc1noc(C)c1C(=O)N1CCN(C(=O)c2sc3cc(Cl)ccc3c2Cl)CC1,CID1246841,0.0,,,0.0,,,,,,,,,,,0.0,,
CC1=NNSC1=C1N=c2ccccc2=N1,CID6400215,,,0.0,,,,,,,,0.0,,0.0,,,,0.0
O=C(CN1CCOCC1)Nc1ccccc1NC(=O)C1CCN(c2ncccn2)CC1,CID646538,,0.0,,,,,,,0.0,,,,,,,,
CCOC(=O)c1cnc(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)nc1N,CID646539,,0.0,,,,,0.0,0.0,,,,,0.0,,,,0.0
Cc1cc(S(=O)(=O)N2CCC(NC(=O)C34CC5CC(CC(C5)C3)C4)CC2)ccc1-n1cnnn1,CID646532,0.0,,,0.0,,,,,,,,,,,,,0.0
c1ccc2nc(-c3nc4ccccc4[nH]3)ccc2c1,CID646533,,,,,,,0.0,,,,,,,,,,
COc1cccc(C(=O)CSc2nnc(CNS(C)(=O)=O)n2-c2ccc(C)cc2)c1,CID646535,,0.0,0.0,0.0,0.0,0.0,,,0.0,,,,,,,0.0,0.0
O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1)c1cccnc1,CID1259495,,,,,,,,,,,,,,,0.0,,
CN(C)C(CNC(=O)c1cccnc1Sc1ccccc1)c1ccco1,CID2998762,0.0,,,,0.0,,0.0,,,,0.0,0.0,,,,,0.0
COc1ccc(-c2cc(=O)n(-c3nc4ccccc4[nH]3)[nH]2)cc1,CID972862,0.0,,0.0,,,,,0.0,,,0.0,0.0,,,,,
CC(=O)c1ccc(N2CCN(S(=O)(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)CC2)cc1,CID644974,,,,,,,,,,0.0,0.0,,,,,,
Cc1cccc2cc(CN(Cc3ccco3)C(=O)N3CCCC3)c(=O)[nH]c12,CID644977,0.0,0.0,0.0,0.0,,,,,,0.0,0.0,,,,,,0.0
c1ccc(CCn2nnnc2C(c2cccnc2)N2CCN(c3ccccc3)CC2)cc1,CID644979,,,,,,,0.0,,,0.0,,,,,,,
O=c1nc(N2CCN(c3ccccc3)CC2)[nH]c2c1CCC2,CID208782,,,0.0,0.0,,,0.0,,,,,,,,,,
COc1ccc2cc3cc(C(=O)Nc4ccc5c(c4)OCO5)oc3nc2c1,CID3244163,0.0,,,,,,,,,,,,,,,,
O=c1nc(N2CCCCC2)[nH]c2c1CCCC2,CID208786,,0.0,,0.0,,,0.0,,,,,,,,,0.0,
O=c1nc(N2CCN(c3ccccc3)CC2)[nH]c2c1CCCC2,CID208785,,,,,,0.0,,,,,,,,,,,
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCc3ccccc3C1)n2CCSc1nc2ccccc2s1,CID667299,,0.0,,,,,,,,,,0.0,,,,0.0,0.0
O=C(/C=C/c1ccccc1)NNC(=O)c1cccc(Cl)c1,CID795832,,,,,,0.0,,,,,,,,,,,
O=C(NCc1cccs1)c1cccc(N2CCCC2=O)c1,CID3244167,0.0,,,,0.0,,,0.0,,0.0,,,,,,,
Cc1noc(C)c1COc1ccc(C(=O)Nc2ccccc2)cc1,CID2574590,,,,,,,,,,,,,,0.0,,,
Cn1c(N)c(N2CCN(c3ccccc3)CC2)c(=O)[nH]c1=O,CID2454145,,,,,,,,,,,,,,,0.0,,
O=C1c2ccccc2C(=O)N1CSc1nnnn1-c1ccccc1,CID797479,,0.0,,,0.0,,,,,,,,,,,0.0,
CC(=O)N1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1,CID2609053,,0.0,,0.0,,,,0.0,0.0,,,,0.0,,,,
O=C(Nc1cccnc1)c1cn(-c2ccccc2)nc1-c1cccs1,CID2999058,0.0,,,,,,,,,0.0,,,,,,,
COc1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1,CID1146584,,,,,,,,,,,,,,0.0,,,
Cc1noc(C)c1COC(=O)c1ccccc1NC(=O)Cc1ccccc1,CID2571078,0.0,,,,,,0.0,,0.0,0.0,,,,,,,
CCc1nc2ccccc2n1Cc1cc(=O)n2cc(C)ccc2n1,CID2999056,,,0.0,,,0.0,,0.0,,,,0.0,,,,,0.0
CCOc1ccccc1N(C(=O)CNC(=O)c1ccco1)C(C(=O)NC(C)(C)C)c1ccncc1,CID644391,,,,,,,0.0,0.0,,,0.0,0.0,,,,0.0,0.0
Cc1ccc2nc(N3CCN(Cc4nnnn4Cc4ccccc4)CC3)c(C#N)cc2c1,CID644393,,,,,,,,,,0.0,,,,,,0.0,
CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(C3CCCCC3)n2N)c1C,CID2100074,,,,0.0,0.0,,0.0,0.0,,0.0,,,0.0,,,0.0,
O=c1cc(N2CCc3ccccc3C2)[nH]c(=O)n1C1CCCCC1,CID3236283,0.0,0.0,,0.0,,,0.0,,,,0.0,,,,,,
Cc1cc(C)n(CC(=O)n2c3c(c4ccccc42)CCCC3)n1,CID658201,,0.0,,,,,,0.0,,,,,,,,,
Cc1cc(NC(=O)CCCSc2nc(-c3ccco3)cc(C(F)(F)F)n2)n(-c2ccccc2)n1,CID2239106,,,,,,,,,,,,0.0,,,,,
O=C1c2ccccc2-c2c1cccc2C(=O)N1CCN(C(=O)c2ccco2)CC1,CID1169304,,,,,,,,,0.0,0.0,,,0.0,0.0,,,
COc1ccc2c(c1)c(C(=O)N1CCN(C)CC1)c(C)n2-c1ccccc1,CID651155,,,,,,,,,,,,0.0,0.0,,0.0,,0.0
C=CCn1c(SCC(=O)Nc2ccc(NC(=O)c3ccco3)c(OC)c2)nnc1-c1ccncc1,CID651156,0.0,,0.0,,,,,0.0,,,,,0.0,,,,0.0
CN1CCN(NC2=c3ccccc3=NC2=O)CC1,CID829020,,,,,,0.0,,,,,,,,,,,
CSc1nc(-c2ccccc2)nc(N2CCN(C)CC2)c1C(C)=O,CID760990,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,,,,,0.0,,,0.0,
CC1=NC(=O)NC(=O)/C1=C\NNC(=O)C(C)NC(=O)OC(C)(C)C,CID6506237,,,,,,,,,,,,,,,0.0,,
COc1ccc(C2(O)CCN(CC(=O)Nc3nccs3)CC2)c(OC)c1,CID652664,,,,,0.0,,,0.0,,,,,,0.0,,,
O=C(O)c1ccccc1S(=O)(=O)NCC(O)COC1CCCCC1,CID652663,,,,,0.0,,,0.0,,,,,,,,,
O=C(NC1CCCC1)C(c1ccc(N2CCOCC2)cc1)N(Cc1ccccc1)C(=O)c1ccco1,CID652669,0.0,,,,,0.0,0.0,,,,,,,0.0,,,
Cn1c(=O)c(C(=O)COc2ccc(F)cc2Cl)c(N)n(Cc2ccccc2)c1=O,CID2577809,,,,,,,,,,,,,,0.0,,,
O=C(CN1CCN(Cc2ccccc2)CC1)NC(=O)NCc1ccco1,CID2090468,0.0,,,,,,0.0,,,,,,,,,0.0,0.0
CCOC(=O)c1ccc2ncc(C(=O)OCC)c(NCCCN3CCOCC3)c2c1,CID2791878,0.0,,,,,,,0.0,,,,,,,,,
O=C1CC(c2cccc([N+](=O)[O-])c2)c2c(ccc3ccccc23)N1,CID2857782,,,,,,0.0,,,,,,0.0,,,,,
O=C(CCN1C(=O)c2ccccc2C1=O)NC1=NCCS1,CID2112024,,,,0.0,,,,,,,,0.0,0.0,,,0.0,
O=C1Nc2ccc(S(=O)(=O)N3CCOCC3)c3cccc1c23,CID708443,,,0.0,0.0,,,,,0.0,,,,,,,0.0,
O=C(C1CCC(CNc2c(N3CCOCC3)c(=O)c2=O)CC1)N1CCN(c2ccccc2)CC1,CID5308387,,,,,,,,,,,0.0,,,,,,
CN(CCCNC(=O)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1)c1ccccc1,CID5308384,,,0.0,,,0.0,,,,,,,,,,,
CCC(C)NC(=O)C1CCC(=O)N(c2ccc3c(c2)OCO3)C1c1ccc(OC)cc1,CID5308385,,,,,,,,,,,,,0.0,,,,
O=C(Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)C1CCCO1,CID2970838,,,,,,,0.0,,,,,,0.0,,,0.0,
CCN1C(=O)c2ccccc2S(=O)c2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc21,CID5308389,,,0.0,,,,0.0,,,,,,,,,,
O=C(Nc1nnc(C2CC2)s1)C1Cc2ccccc2CN1S(=O)(=O)c1ccccc1F,CID4678870,,,,,,0.0,,,,,,0.0,,,,,
O=C1NC(=O)C2(COC3(CCCC3)OC2)S1,CID650289,,,,,,,,,0.0,,,,,,,,
CC(C(=O)N1c2ccccc2Sc2ccccc21)n1nnc(-c2cccs2)n1,CID650288,0.0,,0.0,0.0,0.0,,0.0,,,,,,,,,,
Cn1nc(-c2ccc(OCC(=O)Nc3ccccc3)cc2)c2ccccc2c1=O,CID1979163,,,,,,,,,0.0,0.0,,0.0,,,,,
CN1CCN(C(=O)CSc2nc(-c3cccs3)cc(-c3cccs3)c2C#N)CC1,CID662192,,,,,0.0,,,,0.0,0.0,,,,,,,
O=C(NCc1ccco1)C1CCCN1C(=O)Nc1ccccc1Cl,CID3230286,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1sc2nc(NC(=O)COc3ccccc3)sc2c1C,CID4232003,,,,,,,0.0,,,,,,,,,,
COC(=O)C1C(c2ccccc2)C(C(=O)N2CCN(C)CC2)C1c1ccccc1,CID654629,,,0.0,,,,,,,,,,,,0.0,,0.0
O=C(CSc1ncn[nH]1)Nc1nc(-c2ccccc2)cs1,CID767227,,,,,,,,,0.0,0.0,0.0,,,,,,
O=S(=O)(NCC1CCCO1)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1,CID654621,,,0.0,,0.0,,0.0,,,,0.0,,0.0,,,,
N#CC1=C(N)C(C#N)(C#N)C(c2cccnc2)C2COCC=C12,CID654620,,,,0.0,,,,0.0,,,,,,,,,
COc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)o2)cc1,CID2158953,,,,,,,,0.0,0.0,,,,,,,0.0,0.0
COc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)o2)cc1,CID2158952,,,0.0,,,0.0,,,,,,,0.0,,,0.0,
COc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4COCC4(C)C)cc3)o2)cc1,CID2158957,,,,0.0,,,,0.0,,,,,,,,,
O=C(NCCN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1cccnc1,CID5308960,,0.0,,0.0,,,,,,,,,,,,,
CC1CCCCN1CC(=O)c1ccc2cc[nH]c2c1,CID5308961,0.0,,,,,0.0,,,,,,,,,,,
CCOC(=O)N1CCN(c2c(NCCN3CCCCC3CC)c(=O)c2=O)CC1,CID5308968,,,,0.0,,,,,,,,,,,,,
CCOC(=O)Cc1csc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)n1,CID3237566,,0.0,,0.0,,0.0,,,,,,,,,,0.0,0.0
O=C(/C=C/c1ccco1)NC(=S)Nc1nc(-c2ccc3ccccc3c2)cs1,CID1326118,,,,,,,,,,,,,,,0.0,,
O=C(CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)NCc1ccco1,CID1085954,,,,,0.0,,,,,,0.0,,,0.0,,0.0,0.0
O=C(NC1CCCC1)c1ccccc1-c1nc2ccccc2[nH]1,CID727074,,,,,,,,,0.0,,,,,,,,
O=C1c2ccccc2-c2cccc(C(=O)N3CCCCCC3)c21,CID726708,,,,,,,,,,,,,,,0.0,,
O=S(=O)(c1ccccc1)N1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1,CID4035156,,,,,,,,,,,,,,,0.0,,
O=S(=O)(c1ccccc1)c1nc(NC2CC2)sc1Cl,CID2476377,,,,,,,,,,,,,,0.0,0.0,,
CCOC(=O)c1c(CN2CCN(Cc3ccccc3)CC2)n(C)c2cc(Br)c(OC)cc12,CID1038543,,,,,,,,,0.0,,,,,,,,
Cn1cnnc1SCC(=O)NCc1cccc(C(F)(F)F)c1,CID582245,,0.0,,,0.0,,,0.0,,,,,,,,,0.0
O=C(c1cc(-c2ccco2)on1)N1CCc2ccccc2C1,CID3237160,0.0,,,,,0.0,0.0,,,,,,0.0,,,,
CSc1nsc(SCC(=O)NC2CCCCC2)n1,CID935175,,,,0.0,0.0,,,,0.0,,,,,0.0,,,
O=C1Nc2ccccc2C2=NC(CN3CCN(Cc4ccccc4)CC3)CN12,CID5708007,,,,,,,,,,,,,,,0.0,,
O=C(NCc1ccncc1)C1CCCCC1,CID823684,,,,,,,,,,0.0,,0.0,,,,,
O=C(OC1CCc2ccccc2C1=O)c1ccccc1O,CID2967650,,,0.0,,,,,,0.0,,,,,,,0.0,
O=C1c2ccccc2C(=O)N1SC1CCCCC1,CID28777,,,0.0,,,,0.0,,,0.0,,,,,,,
CC1(C)CC(C2N3CC4(C)CN2CC(C)(C3)C4=O)CCO1,CID651905,,,,,,,,,,0.0,,0.0,0.0,,0.0,,0.0
O=c1c2ccccc2nc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)n1-c1ccccc1,CID2535490,,,,,,,,,,,,,,0.0,,,
COc1ccc(NC(=O)C2CC2)cc1-n1cnnn1,CID651903,,0.0,0.0,0.0,,,0.0,0.0,,0.0,,,0.0,,,,
COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2cccs2)cc1,CID1932984,,,,,,,,,,,,,,0.0,,,
O=C(c1cccs1)N1CCCC(c2ccccc2)C1,CID2893479,,0.0,,,,,,,,0.0,,,,,,,
O=C(NCc1cccnc1)c1ccc(CN2CCc3ccccc3C2)cc1,CID1139647,,,,,,,,,,,0.0,0.0,,,,,
Cn1/c(=N/C(=O)C2CCCCC2)sc2cc([N+](=O)[O-])ccc21,CID2325220,,,,,,,,,,,,,,,0.0,,
Cc1cc(OCC(=O)Nc2ccc(OCc3ccccc3)cc2)nc(C(C)C)n1,CID2433287,,,,,,,,,,,,0.0,,,,,
Cc1ccc(-n2cnnn2)c(S(=O)(=O)N2CCOCC2)c1,CID847938,,,0.0,0.0,,,0.0,,,,,,,,,,
O=C(c1sc2ccccc2c1Cl)N(Cc1ccccc1Cl)C1CCS(=O)(=O)C1,CID3305561,,,,,,,,,,,,,,,0.0,,
C/C(CC(=O)Nc1cc(Cl)ccc1Cl)=N\NC(=O)c1ccco1,CID3107341,,,,,,0.0,,,,,,,,,,,
CC1CN=C2N1CC(Cc1ccc(O)cc1)N2CCNC(=O)CCC1CCCCC1,CID16195704,,,,,,,,,,,,,,,0.0,,
CC(=O)N(CC1CCCO1)C1(C(=O)NC2CCCC2)CCCCC1,CID3242288,,,0.0,,,,0.0,,,,0.0,,,,,,
CC1CCCCN1CCNC(=O)C1CC(=O)N(c2ccc(F)c(Cl)c2)C1,CID3242284,,,,,,,,,,,,,0.0,,,,
CC(=O)c1c(C)[nH]c(C(=O)N2CCCCCC2)c1C,CID3242282,,,,,0.0,,,,,0.0,,,,,,0.0,
O=C(OCC(=O)N1CCCCCC1)c1n[nH]c(=O)c2ccccc12,CID2429887,,,,,,,,,0.0,,,,0.0,,,,
Nc1nc(SCC(=O)c2cc3ccccc3o2)n[nH]1,CID1711492,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1c(NC(=O)CN2CCCCC2)sc2c1CCCC2O,CID2840442,,,,,0.0,,0.0,,,,,,,,,,
COc1ccc2c(c1)c(C(=O)CN1CCC3(CC1)OCCO3)c(C)n2Cc1ccccc1,CID1986588,,,,,,0.0,,,0.0,0.0,,,,,,,
COc1cccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)c1,CID2158935,,0.0,,,,,,0.0,0.0,,,,0.0,,,,
CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC2CCCO2)cc1,CID2921725,,,,,,,,,,,0.0,,0.0,,,,
O=C(Nc1ccccc1-c1nc2ccccc2s1)c1cccnc1Cl,CID1091593,,,,,,0.0,,,,,,0.0,,,,,
CCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)CC1,CID2979613,,,,,,,,,,0.0,0.0,,,,,,
Cc1nn(Cc2ccccc2)c2c1C(c1ccco1)C(C#N)=C(N)O2,CID2872325,0.0,,0.0,,,,,,0.0,,0.0,,,,,,0.0
O=C1Nc2cccnc2Sc2ccccc21,CID3243778,,,,,0.0,,,,,,,,,,,,
O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)C1CCC(=O)N1Cc1ccccc1Cl,CID3243772,0.0,,,,,,,,,,,,,,,,
O=C(NCCCN1CCCC1=O)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1,CID3242429,,,,,,,,0.0,,0.0,,,,,,,
CN1C(=O)CSc2ccc(NC(=O)NCCC3=CCCCC3)cc21,CID3242423,,0.0,0.0,,0.0,,,,,,0.0,,,,,,
CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccccn1,CID3242424,,0.0,,,,,0.0,,0.0,,0.0,,,,,,
O=C(NC1CCCC1)c1cc(-c2cccs2)on1,CID3242425,0.0,0.0,,,0.0,,,0.0,,,0.0,,0.0,,,,
Cn1c2ccccc2c2cnn(CC(=O)N3CCN(c4ncccn4)CC3)c(=O)c21,CID3242426,,0.0,,,,,,,,,,,0.0,,,,
Cc1cc(C(=O)COC(=O)c2ccc(Br)o2)c(C)n1Cc1ccco1,CID3454867,,,,,,,,,,,,,,0.0,,,
O=S(=O)(Cc1ccccc1)N1CCN(C2Cc3ccccc3C2)CC1,CID1151771,,,0.0,0.0,0.0,,,,,,0.0,,,,,,
CCc1c(C(=O)Nc2ccccc2)c(C)[nH]c(=S)c1C#N,CID789551,,,,,,0.0,,,,,0.0,,,0.0,,,
O=S(=O)(NCCNS(=O)(=O)c1cccs1)c1cccs1,CID3241735,,,,,0.0,,,,,,,,,,,,
CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCCN3CCOCC3)c21,CID3241733,,,,,,,,,0.0,,0.0,,,,,,
O=c1c2c(nc3nc(CCc4ccccc4)[nH]n13)CCC2,CID935179,,,,0.0,,,,0.0,,,,0.0,,0.0,0.0,,
C/C(=N\NC(=O)CNc1ccc(F)cc1)c1cc2ccccc2o1,CID3676679,,,,,,,,,,,,,,,0.0,,
CCC(=O)N1CCc2cc(S(=O)(=O)NCCCN(CC)Cc3ccccc3)ccc21,CID3243118,,,,,,,,,,,,,0.0,,,,
O=C1C=CC=C/C1=C1/NNC(=S)N1Cc1ccco1,CID9550943,,,,,,,,,,,0.0,,,,,,
Cc1cc(NC(=O)COC(=O)c2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)no1,CID2122131,,,,,,,,,0.0,0.0,,,,,,,
NC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)o1,CID3178247,,,,,,,,,,0.0,,,,,,,
Nc1c(NCCCN2CCOCC2)c2ccccc2oc1=O,CID1712911,,0.0,,,0.0,,,0.0,,,0.0,,,,,0.0,
O=C(NCCCn1ccnc1)c1cc(-c2cccs2)on1,CID3235911,,,0.0,0.0,,,,,,0.0,,,0.0,,,,0.0
CC1(C)CC(=S)Nc2ccccc2S1,CID702761,,,,,,,,,,,0.0,,,0.0,,,
O=C(CN1C(=O)NC2(CCCCCC2)C1=O)c1ccc2c(c1)OCCO2,CID2999803,0.0,,0.0,,,,,,,,0.0,,,,,0.0,
O=C1C2C(C(=O)N1Cc1ccco1)C1C=CC2C12CC2,CID2960366,,,,,,,,,,0.0,,,,,,,0.0
COC(=O)Cc1c(OC)ccn(CCc2c[nH]c3ccccc23)c1=O,CID1472415,,,,,,,,,,,,,,,0.0,,
Cc1ccc(NC2CC(=O)N(c3ccc(N4CCCCC4)cc3)C2=O)cc1,CID2973613,0.0,,0.0,,,,,,,,0.0,,0.0,,,,
COc1ccc(C(=O)NNC(=O)CN2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)cc1,CID3229066,,,,,,,,,,,,,,0.0,,,
O=C(OCc1nnc(-c2ccccc2)o1)c1ccc(S(=O)(=O)NCc2ccco2)cc1,CID2081197,,,0.0,,,,,,,,0.0,,,,,,0.0
CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1ccc(N2CCOCC2)cc1,CID2877963,,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccccn1,CID4558058,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1-n1nnnc1SCc1ncc(-c2ccccc2)o1,CID2550364,0.0,0.0,,,0.0,0.0,,,,,,,,,,0.0,0.0
O=C(Cn1nc(C(F)(F)F)c2c1CCCCC2)N1CCOCC1,CID1259308,,,,0.0,0.0,,,,0.0,,,,,,,,
O=C(CSc1cccs1)Nc1ccc2ccccc2c1,CID886920,,,,,,0.0,,,,,,,,,,,
c1cncc(-c2nn[nH]n2)c1,CID151091,,,,,,,,,,,,,0.0,,,,
O=C(Nc1ccccc1N1CCOCC1)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O,CID2677605,,,,,,,0.0,,,,,0.0,,,,,
C(=N/n1cnnc1)\c1ccc(OC2CSC2)cc1,CID684641,,0.0,,,,0.0,0.0,,,,0.0,,,,,0.0,
CCOC(=O)N1CCC(c2cc(=O)n3[nH]c(C)c(-c4ccc(F)cc4)c3n2)CC1,CID5308428,,,0.0,,,,,,,,,,0.0,,,,
O=C(c1cccn(Cc2cccc(Cl)c2)c1=O)N1CCOCC1,CID1478480,,,,,,0.0,,,,,,,,0.0,,,
O=C(CCc1nc2ccccc2s1)OCc1ccccc1F,CID2376121,,,,,,,,,,,,,,,0.0,,
O=C(c1ccc2c(c1)OCO2)N(CC1CCCO1)C1(C(=O)NC2CCCCC2)CCCCC1,CID3647419,,,,,,,,,,,0.0,,,,0.0,,
COCCn1c(C)cc(C(=O)CSc2nc3ccccc3s2)c1C,CID2620992,,,,,,,,,,,,,,0.0,,,
c1ccc(Nc2cc(Nc3ccccc3)[nH]n2)cc1,CID2322334,,,,,,,,,,,0.0,0.0,,,,0.0,
Cc1nccn1CCc1nc(N)nc(N)n1,CID162320,,,,,,,,,0.0,,,,,,,,
CCc1ccc2nc(NC(=O)CSCc3c(C)noc3C)sc2c1,CID2544451,0.0,0.0,0.0,,0.0,,0.0,,0.0,,,,,,0.0,,
Cc1ccc(NC(=O)CSC(C)C(=O)NCCc2ccccn2)cc1,CID4884154,,,,,,,,,,,,,,,0.0,,
O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(N2CCCC2)o1,CID2275963,,,,,,,,,,,,,,,0.0,,
CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2cccc(-n3cccn3)c2)CC1,CID16189025,,,,,,,,,,,,,,0.0,,,
CN(c1nc2c(c(=O)n(C)c(=O)n2C)n1CC(=O)c1ccccc1)C1CCCCC1,CID665529,0.0,0.0,,0.0,,0.0,,,,,0.0,0.0,,,,,
CC(=O)Nc1ccc2nc(CN3CCN(Cc4ccc(F)cc4)C(CCO)C3)ccc2c1,CID16190272,,,,,,,,,,,,,,0.0,,,
O=c1cnn(-c2ccccc2)c(-c2ccccc2)c1,CID2311475,,,,,,,0.0,,,,0.0,,0.0,,,,
CCOC(=O)N1CCC(=NNC(=O)COc2cccc(C)c2)CC1,CID3631779,,,,,,,,,,,,,,,0.0,,
Cc1noc(C)c1S(=O)(=O)N(CC(=O)O)c1ccc2c(c1)OCO2,CID3245591,,,0.0,,,,,,,,,,,,,,
Cc1cc(C)c(C2=C(C#N)C(N)=C(C#N)C3=CCCCCC32)c(C)c1,CID3858029,,,,,,0.0,,,,,,,,,,,
COc1cc(C2C3CCCCC3(O)CCN2Cc2ccccc2F)ccc1O,CID665881,,,0.0,,,,,0.0,,,,,,,,,
Cn1c(CCNC(=O)c2ccco2)nc2cc(NC(=O)C3CCCCC3)ccc21,CID665880,0.0,,0.0,,,,,,,,0.0,0.0,,,,,0.0
Cc1ccc(NC(=O)CC(NCC2CCCO2)C(=O)O)cc1C,CID3369171,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccc(Oc2ncccn2)cc1)c1ccco1,CID2527342,,,,,,,,0.0,,,,,,,,0.0,
COC(=O)c1ccc(CSc2nnc3n(Cc4ccccc4OC)c(=O)c4ccccc4n23)o1,CID2591632,,,0.0,,0.0,,,,,0.0,0.0,,,,,,
CCOC(=O)N1CCC(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)CC1,CID666572,,,,,,,,0.0,,,,,0.0,0.0,,,
O=C(c1ccccc1NS(=O)(=O)c1ccc(F)cc1)N1CCCC1,CID895533,,,,,,,,,,,,0.0,,,,,
O=C(Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1cccnc1,CID666575,0.0,,0.0,,,,,,,,,,,,,,0.0
Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N1CCN(c2ccccc2)CC1,CID2082853,0.0,,,0.0,,,,,,,,,,,,,0.0
O=C(CCCN1C(=O)CSc2ncccc21)N1CCN(c2cccc(C(F)(F)F)c2)CC1,CID3236627,0.0,,,,0.0,,,,,,,,,0.0,,,
Cc1ccccc1C1=NC(=C2C=CC(=O)C=C2)ON1,CID5407960,,,0.0,,,0.0,,,,,,,,,,0.0,
Cn1nnnc1SC(C(=O)Nc1ccc(F)cc1)c1ccccc1,CID3276301,,,,,,,,,,,,,,,0.0,,
Cc1cccc(Nc2nc(N)c([N+](=O)[O-])c(N3CCC(C)CC3)n2)c1,CID4872401,,,,,,,,,,,,,,,0.0,,
COC(=O)C1(C(=O)OC)Sc2ccccc2C1=O,CID2325684,,,,,,,,,0.0,,,,,,,,
CC(=O)C1=C(O)C(=O)N(Cc2ccco2)C1c1ccc2c(c1)OCO2,CID557217,,,,,0.0,,0.0,,,0.0,,,0.0,,,,
Cc1ccc(NC2=C(Cl)C(=O)N(C3CCCCC3)C2=O)cc1,CID728016,,,,,,,,,,,,,,0.0,,,
CCOc1cc2[nH]c(=S)n(CCC(=O)N3CCc4ccccc4C3)c(=O)c2cc1OCC,CID4345315,,,,,,,,,0.0,,0.0,,,,0.0,,
O=C(NCCCn1ccnc1)C1=CNN2C1=NC(c1ccccc1)CC2C(F)(F)F,CID5741204,,,,,,,0.0,,,,,,,,,,
O=C(c1ccncc1)N1c2ccccc2Sc2ccccc21,CID750457,,,,,,,,,,,,,,0.0,0.0,,
c1ccc(Cn2nnc3c(Nc4ccc5c(c4)OCO5)nc(C4CC4)nc32)cc1,CID652915,,,,,,,,,,,,,,,0.0,,0.0
O=C(CN1CCC(O)(c2ccccc2F)CC1)NCCc1c[nH]c2ccccc12,CID652914,0.0,,,,,,,,0.0,,0.0,,,,,0.0,
CNc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccccc2F)c(C)s1,CID1450296,,,,,,,,,,,,,,,0.0,,
O=C1CC(N2CCN(c3ccccc3)CC2)C(=O)N1Cc1ccc(Cl)cc1,CID3304383,,,,,,,,,,,,,,0.0,,,
O=C(OC(c1ccccc1)c1ccccc1)C1C2C(=O)N(c3cccc(F)c3)C(=O)C2C2C=Cc3ccccc3N21,CID12004639,,,,,,,,,,,,,,0.0,,,
Cn1c(=O)cc(OCC(=O)N2CCC3(CC2)OCCO3)c2ccccc21,CID3244800,,,,,,,,,,0.0,,,,,,,
O=C1Nc2ccccc2OC1CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1,CID3244805,0.0,,,,0.0,,,,,,,,,,,0.0,
Cc1nc2ccc(S(=O)(=O)NCC(=O)N3CCN(c4ccccc4)CC3)cc2s1,CID3244807,0.0,,,0.0,0.0,,0.0,,,,,,0.0,,,0.0,0.0
Cc1ccccc1Nc1nc(N)nc(CSc2nnc3sc4ccccc4n23)n1,CID2114733,,,,0.0,,,,,,0.0,,0.0,,,,,
c1ccc(-n2c(Sc3cnccn3)nnc2-c2cccs2)cc1,CID2539904,0.0,,0.0,,,,0.0,,,,,,,,,,
CCOc1ccc(-n2cnnn2)cc1S(=O)(=O)NCCc1ccc(OC)c(OC)c1,CID1249286,,,0.0,,,,,,,,,,,,,0.0,0.0
O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)NCc1ccco1,CID2376911,,,,,,,,,,,,,,0.0,0.0,,
O=C(CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1)NC1CCCC1,CID649920,0.0,,0.0,0.0,,0.0,,,0.0,0.0,0.0,0.0,,,,,
Cc1ccc2c(c1)N(CC(=O)NCCc1c[nH]c3ccccc13)C(=O)CO2,CID649922,,0.0,0.0,0.0,,,,,,,,0.0,,,,,
c1ccc(-c2n[nH]c(-c3ccccn3)n2)cc1,CID2501092,,,,,,,,,,,,0.0,,,,,
Cc1cccc2c1NC(=O)C2(c1ccc(O)cc1)c1ccc(O)cc1,CID3860640,,,,,,0.0,,,,,,,,,,,
Cc1ccccc1Cn1ccc(NC(=O)c2cnn3cccnc23)n1,CID2231095,,,0.0,0.0,,,,,0.0,,,0.0,,,,,
COC1=CC=C/C(=C\NNC(=O)CSc2ccccc2C)C1=O,CID6537082,,,,,,,,,,,,,,,0.0,,
Cn1nc(C(=O)OCCN2C(=O)c3ccccc3C2=O)c2ccccc2c1=O,CID2401313,,0.0,,0.0,,,,0.0,,,,,,,,,
O=C(Nc1ccccn1)C1(c2ccccc2)CCCC1,CID796266,0.0,,,,,,,0.0,,,,0.0,0.0,,,0.0,
O=C(O)CCNC1C=CS(=O)(=O)C1,CID3096992,,,,,,,,,,,,,,0.0,,,
CCn1c(SCC(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)nnc1-c1ccco1,CID2570663,,,,,,,,0.0,,,,,,,,0.0,0.0
CC(=O)NCC(=O)NC1(C(=O)NC2CCCC2)CCCCC1,CID3242198,,0.0,,,,,,,,,,,0.0,,,0.0,
C/C(=N\N1C(C)CCCC1C)c1ccc(Cl)c([N+](=O)[O-])c1,CID5027786,,,,,,,,,,,,,,,0.0,,
CCOC(=O)Cc1cn2c(=O)cc(CSCC(=O)Nc3ccc(C)c(C)c3)nc2s1,CID2118626,,0.0,,,0.0,,0.0,,0.0,0.0,0.0,,,,,,
Cc1cc(C(=O)Cn2nnc3ccccc3c2=O)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O,CID2695553,0.0,,,,,,,,,0.0,,0.0,,,0.0,,
Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cnc4scc(C)n4c3=O)cc2)c1C,CID4537203,,,,0.0,0.0,,,,,,0.0,,,,,0.0,
COc1cc2c(cc1NC(=O)CSc1nc3cc(Cl)ccc3s1)oc1ccccc12,CID2925455,,,,,,,,,,,,,,0.0,,,
O=S(=O)(Nc1ccc2c(c1)CCC2)c1cccs1,CID2481711,,,0.0,,,0.0,,,,0.0,,,0.0,0.0,,,
Cc1csc(SCC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1,CID2548237,,,,,0.0,,,,0.0,,,,,,,,
O=C(Nc1cccc(-c2cnc3ccccc3n2)c1)c1cccc(NC(=O)c2ccco2)c1,CID1262402,,,,,,,,,,,,0.0,,,,,
O=C1NC(=O)N(C2CCCCC2)C(=O)C1C1c2ccccc2C(=O)N1Cc1ccccc1,CID665412,0.0,,0.0,0.0,0.0,,0.0,,,,0.0,,0.0,,,,
CN1C(=O)C(C2c3ccccc3C(=O)N2Cc2ccccc2)C(=O)N(C)C1=O,CID665410,,0.0,,,0.0,,,0.0,0.0,,,0.0,,0.0,,,
COc1ccc(CCN2C(=O)C3C4C=CC(C3C2=O)C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C42)cc1OC,CID2960007,,,,,,,,,,,,,,0.0,,,
CC(C)(C)OC(=O)n1ccc2c(NCCCN)ncnc21,CID16072235,,,,,,,,0.0,,,,,,,,,
CCOC(=O)c1sc(NCC2CCCO2)nc1C,CID2966619,,,,0.0,,,0.0,0.0,,0.0,,,,,,,
O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCN(S(=O)(=O)c2ccccc2)CC1,CID4234703,,,,,,,,,,,,,,,0.0,,
CSCCC1NC2(C(=O)Nc3c(C)cc(Cl)cc32)C2C(=O)N(C3CCCC3)C(=O)C12,CID666940,,,,,,,0.0,,,,,,,,,,
Nc1nonc1-c1noc(N2CCOCC2)n1,CID666947,,,,0.0,,,,,,,,,,,,,
CCOC(=O)N1CCC2(CC1)C(C(=O)C13CC4CC(CC(C4)C1)C3)C2(C#N)C#N,CID666949,,,,,0.0,,0.0,0.0,,,,,,,,,
O=C(CC1CCS(=O)(=O)C1)Nc1ccc[nH]c1=O,CID3238957,,,,0.0,,,,,,,,,,,,,
O=C(NCCCN1CCN(c2ccccc2F)CC1)C1CCC(=O)N1C1CCCCC1,CID3238956,,,,,,,,0.0,,,,,,,,,0.0
O=C(NCC12CC3CC(CC(C3)C1)C2)c1nc2ncccn2n1,CID3238950,,,,,,0.0,,0.0,,,,0.0,,,,,
COc1cc(C2NC(C(=O)O)CS2)ccc1OCc1ccccc1C#N,CID3243800,0.0,,,,0.0,,,,,,,,,,,,
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C2c1ccccc1OC(=O)N1CCOCC1,CID3243803,,,0.0,,,,,,,,,,,,,,
CCOC(=O)c1c(N)sc2c1CCS(=O)(=O)C2,CID2998518,,,,,,,,,,,,,0.0,,,0.0,
COc1cc(-c2noc(CCCC(=O)NCc3ccccc3)n2)cc(OC)c1OC,CID1838117,,,,,,,,,0.0,0.0,,0.0,,,,,
COc1cc2nc(SCC(=O)NC3CC3)n(CCC3=CCCCC3)c(=O)c2cc1OC,CID2575703,,,0.0,,0.0,,,,,,0.0,,0.0,,,,0.0
COc1cc(OC)cc(C(C(=O)NCc2ccccc2)N(Cc2ccco2)C(=O)c2ccno2)c1,CID649106,0.0,,,,,,,,0.0,,,0.0,0.0,,,,
C#CCNC(=O)C1=CC(c2csc3ccccc23)CC(OCc2ccc(CO)cc2)O1,CID16197091,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1ccc(CNC(=O)CSc2nc(NC(=O)c3ccccc3)c3c(C)c(C)oc3n2)cc1,CID2228264,,,,,,,,,0.0,,,,,,,,
CCOC(=O)c1c(NC(=O)CN2CCOCC2)sc2c1CCCC2=O,CID1208310,,,,,,,,,0.0,,0.0,,,0.0,,,
N#Cc1ccc(COC(=O)CSc2nnc(C3CCCCC3)n2N)cc1,CID2568533,,0.0,0.0,0.0,,0.0,0.0,,,,0.0,,,,,0.0,
C=CCCC(=O)Nc1ccc(COC(=O)N2CCOCC2)cc1,CID2228269,,0.0,0.0,,,,,,0.0,,,,,,,,
CCOc1cc(/C=C2/NC(=S)NC2=O)ccc1OCc1ccc(Cl)cc1,CID1361592,,,,,,0.0,,,,,,,,,,,
Cn1cnnc1SCC(=O)Nc1ccccc1Sc1ccccc1,CID2343526,0.0,,0.0,,0.0,,0.0,,,0.0,0.0,,0.0,,,0.0,
Cc1oc(C)c(C(=O)Nc2ccc(CC(=O)O)cc2)c1C(=O)Nc1ccc(CC(=O)O)cc1,CID1264004,,,,,,,,0.0,,,,,,,,,
O=C1CCCN1c1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1,CID1264006,,0.0,,,,,,0.0,,,,,,,,0.0,
O=C(c1cc(-n2cnnc2)ccc1Cl)N1CCN(c2nc(-c3ccccc3)cs2)CC1,CID1264009,,,,,0.0,,,,,,,,,,,,
COc1ccc2cc(C(c3nnnn3C(C)(C)C)N3CCSCC3)c(=O)[nH]c2c1,CID655437,,,0.0,,,,,0.0,,,0.0,,0.0,,0.0,0.0,
COc1ccc(CC(=O)OCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1,CID4884460,,,,,,0.0,,,,,,0.0,,,,,
Cc1cc(C)n2c(SCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)nnc2n1,CID2342433,,,,,,,,,,,,0.0,,,0.0,,
CCN(CC(=O)NCc1cccs1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C,CID2128421,,,0.0,,0.0,,,,,,0.0,,0.0,,,0.0,0.0
CN1C(=O)c2ccc(N3CCCC3)cc2C1=O,CID818071,,,0.0,,,,,,0.0,0.0,,,,,,0.0,
CC(NC(=O)NC1CCCCC1)C(c1cccs1)N1CCOCC1,CID5310411,,,,0.0,,,,,,,,,0.0,,,,
O=C(OCCNC(=O)c1ccc2ccccc2n1)c1cccnc1,CID2249450,,,,,,,,,0.0,,0.0,,,0.0,,,
CCSc1nnc(NC(=O)c2cc(C)nc3ccccc23)s1,CID2125800,,,,,,0.0,,,0.0,,,,,,,,
O=S1(=O)N=C(Nc2ccc(O)c(CN3CCCCC3)c2)c2ccccc21,CID1131934,,,,0.0,0.0,,,0.0,,,0.0,,,,,,0.0
CC(=O)C1=C(C)N=C2N=CNN2C1c1cccc(OCc2ccccc2)c1,CID5307542,0.0,,,,,,,,,,,,0.0,,,0.0,
CCN(CCCNS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O)c1cccc(C)c1,CID5307547,,,,,,0.0,,0.0,,,,,,,,0.0,
c1ccc2c(c1)nc(NCC1CCCO1)c1nnnn12,CID5307548,,0.0,,,,,0.0,0.0,,,,,,,0.0,,
CC1=C(C(=O)N(C)C)C(c2ccc(N3CCOCC3)cc2)NC(=O)N1,CID5041693,,,,,,,,,,,,,,,0.0,,
O=S(=O)(c1cccs1)n1cccn1,CID645905,,,0.0,0.0,,,0.0,,,,,,,,,,
Cc1cc(C(=O)OCC(=O)NC2CCS(=O)(=O)C2)c2ccccc2n1,CID3454736,,,,,,,,,,,,,,0.0,,,
C=C(C)c1cccc(C(C)(C)NC(=O)N2CCCC2)c1,CID773391,,,,,,,,,,0.0,,,,,,,
CN1CCCCc2c1[nH]c1ccccc1c2=O,CID749451,,,,,,,,,,,,,,,,0.0,
Cc1c(N2C(=O)S/C(=C\c3ccc(N(C)C)cc3)C2=O)c(=O)n(-c2ccccc2)n1C,CID1567079,,,,,,0.0,,,,,,,,,,,
O=C1CC(c2ccsc2)c2cc3c(cc2N1)OCCO3,CID2996895,,,,0.0,0.0,,,0.0,,,,,,,,,
c1ccc(Cc2nc3ccccc3n2CCN2CCOCC2)cc1,CID771730,0.0,,,0.0,,0.0,0.0,,,,,,,,0.0,,
c1ccc(Cn2ccnc2-c2ccco2)cc1,CID977250,,,,,,,,,,,,,,,0.0,,
CN(CCOc1ccccc1)Cc1nc(=O)c2ccc(Cl)cc2[nH]1,CID2535513,,,,,,,,,,,,,,,0.0,,
CN(Cc1ccccn1)Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2,CID16190188,,,,,,,,,,,,,,,0.0,,
C/C(=N\NC(=O)c1ccc(C)s1)c1cccc(NC(=O)COc2ccc(Cl)cc2C)c1,CID1014864,,,,,,,,,,,,0.0,,,,,
C=C(C)c1cccc(C(C)(C)NC(=O)NCC2COCCO2)c1,CID2902662,0.0,,0.0,0.0,0.0,,0.0,,,,,,0.0,,,,
CCOC(=O)C12CC1/C(=N/O)c1ccccc1O2,CID6324610,,,,,,,,0.0,,,,,,,,,
O=C(COC(=O)c1cccs1)NCCN1C(=O)CSC1=O,CID2092345,,,,,0.0,,,,,,,,,,,,
COc1ccc(N(CC(=O)N2CCCCCC2)S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1,CID9551390,,,,,,,,,,0.0,,,,,,,
O=C(O)c1ccccc1SCC(=O)N1c2ccccc2Sc2ccccc21,CID2385059,,,,,,,,,,,,,,,0.0,,
c1ccc2sc(NC3=NCN(CCN4CCOCC4)CN3)nc2c1,CID943211,,,,,,,,,,,,,,,0.0,,
COC(=O)c1sccc1NC(=O)C1CC=CCC1C(=O)O,CID2931382,,,,0.0,,,0.0,0.0,0.0,0.0,,,,,,0.0,
CC(C)N1CCC(NC(=O)Nc2ccc3c(c2)OCO3)CC1,CID6466776,,,,,,,,,,,,,,0.0,,,
CCOc1ccc2nc(-c3ccccc3)nc(SCC(=O)Nc3ncc(C)s3)c2c1,CID1164154,,,,,,,,,,,,,,,0.0,,
Cc1nc2ccccc2c2c1C(=O)N(C1CCCCCCC1)C2=O,CID892104,,,,,,,,,0.0,,,,,,,,
COCCn1c(C23CC4CC(CC(C4)C2)C3)n[nH]c1=S,CID2946833,,,,0.0,,,,,,,,,,,,,
CC1(C)Cc2noc(N)c2C(C)(C)N1OC(=O)c1ccco1,CID712025,0.0,0.0,,,0.0,,0.0,,,,,0.0,,,,,
Cc1ccc(C(=O)Cc2nnc(C)s2)cc1,CID851794,,,,,,,,,,,,,,,0.0,,
CC1(C)Cc2noc(N)c2C(C)(C)N1OC(=O)c1ccccc1,CID712023,,,0.0,,0.0,,,,0.0,,,,0.0,,,0.0,
CCOC(=O)C(NC(=O)c1ccccc1OCC)(Nc1ncccn1)C(F)(F)F,CID657812,0.0,,,,0.0,,,,,,,,,,,0.0,0.0
Cn1cnc2c(N3CCCCC3)nccc21,CID657816,,0.0,0.0,0.0,,,,,,,,0.0,0.0,,,,
O/N=C(/c1ccc2c(c1)OCCO2)C1CCCCC1,CID657814,,,,,,,,,,0.0,,,,,,,
Cc1ccc(C(=O)Nc2ccncc2)o1,CID897103,,,,,,,0.0,,,,,,,,0.0,,
O=C(/C=C/c1ccc(Cl)cc1)Nc1ccccc1N1CCOCC1,CID897100,,,,,,,,,,,,,,0.0,,,
c1ccc(N2CCN(c3nc4cc5c(cc4s3)OCCO5)CC2)cc1,CID3242329,0.0,,,,,,,,,,,,,,,,
COc1ccc(Cc2nnc(SCC(=O)N3CCc4ccccc4C3)o2)cc1,CID656148,,,0.0,,0.0,,,,,,,,,,,,
CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1NC1CCCCC1,CID662276,,0.0,,0.0,,0.0,,0.0,,,,0.0,,,0.0,,
Cc1ccc(CN2CC34C=CC(O3)C(C(=O)NCc3ccc5c(c3)OCO5)C4C2=O)cc1,CID3242321,,,,,,,,,,,,,0.0,,0.0,,
Cc1cc(C)n(-c2nc(-n3nc(C)cc3C)c3c4c(sc3n2)COC(C)(C)C4)n1,CID662271,,0.0,,,0.0,,,,,,,0.0,,,,,
COc1ccc(S(=O)(=O)NNC(=O)c2csc(-n3nc(C)cc3C(F)(F)F)n2)cc1OC,CID2768368,,,,,,,,,,0.0,,,,,,,
O=C(CSc1nc2ccccc2c(=O)n1CC1CCCO1)NCC1CCCO1,CID3240533,,,,0.0,,,,,0.0,,,,,,,,0.0
CCCCNC(=O)CCn1c(=O)c2ccccc2n(CC(=O)N2CC(C)CC(C)C2)c1=O,CID3241421,,,,,,,,,,,0.0,,0.0,0.0,,,
O=S1(=O)CC2(N3CCOCC3)CCCCC21,CID265924,,,,,,,,,0.0,,,,0.0,,,0.0,
CC(=O)N1CCc2cc3nc(C)cc(C)c3cc21,CID901734,,,,0.0,,,,,,,,,,,,,
O=C(CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1)N1CCCc2ccccc21,CID3241423,0.0,,,,0.0,,,,,,0.0,,,,,0.0,
Oc1cnc2ccccc2c1CN1CCOCC1,CID877833,,0.0,,0.0,,,,,,,,,0.0,,,,
c1ccc(CC2CCN(c3nc4ccccc4n4nnnc34)CC2)cc1,CID3241422,,,,,,,,,,,,,,,,,0.0
Cn1c(=O)oc2cc(S(=O)(=O)NCCC(=O)NC3CCCc4ccccc43)ccc21,CID3237284,,,,,0.0,,,,0.0,,0.0,,,,,,
CCN(CC)C(=O)CN1N/C(=C2/C=CC=CC2=O)N=C1SCC(=O)Nc1ccc(OC)cc1,CID5770763,,,0.0,,,,,0.0,,,,,,,,,
CS(=O)(=O)N1CCCC(C(=O)NC2CCCCCCC2)C1,CID3241429,,,,0.0,,,,,,,,,,,,,
O=C1CCC(C(=O)Nc2cccc3ccccc23)N1,CID2873677,,0.0,,0.0,,,0.0,,,,,0.0,,,,,
COC(=O)c1ccc(Cn2c(CN3CCOCC3)nc3ccccc3c2=O)o1,CID2125921,,,,,,0.0,,,0.0,,,,,,,,
O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CCCCCC1,CID2542208,,0.0,,,,,0.0,0.0,,,0.0,,0.0,,,,
O=C(NC1CCCCCC1)C1c2ccccc2C(=O)N1Cc1cccnc1,CID3241679,0.0,0.0,0.0,,0.0,,,0.0,,0.0,0.0,0.0,0.0,,,,
O=C(CCn1c(=O)sc2ccccc21)NCCCn1ccnc1,CID3237436,,,,0.0,,,,,0.0,0.0,,,,,0.0,0.0,
CCOC(=O)C1CCN(C(=O)CC2C(=O)N(Cc3ccccc3)C(C)c3nc4ccccc4n32)CC1,CID3241677,0.0,,,,0.0,,0.0,,,,,,,0.0,,,
O=c1c2ccccc2nc2n1CC/C2=C\c1ccccc1[N+](=O)[O-],CID6512916,,,,,,0.0,,,,,,,,,,,
Cc1cc(C(=O)N2CCN(C(=O)C3CCCO3)CC2)no1,CID2970475,,,,0.0,,,,,,,,,,0.0,,,
O=C1NC(=O)c2c(NC(=O)C3CCCO3)cccc21,CID2961755,,,,,,,,0.0,,,,,0.0,,,,
O=C(O)CCc1ccc(-c2cccs2)n1CCc1ccccc1,CID893906,,,,,,,,,,,,,,0.0,,,
Cc1nccc2[nH]c(=O)c(C(=O)NC3CCN(Cc4ccccc4)CC3)cc12,CID6007984,,,,,,,0.0,,,,,,,,,,
CCC(C)NC(=O)c1cnn2c(C)c3c(nc12)CCCC3,CID3244790,,,,,,0.0,,,,,,0.0,,,,,
COc1ccc(-c2[nH]ncc2CN2CCCO2)cc1F,CID16188916,,,,,,,,,,,,,,,0.0,,
Cn1c2ccccc2c(=O)n2c(=O)c3ccccc3cc12,CID3244798,,,,,,0.0,,0.0,,,,,,,,0.0,
COc1ccccc1C(=O)NCCCn1cc(Br)c(C)n1,CID2225516,0.0,,,,,,,,0.0,,0.0,0.0,,,0.0,0.0,
Cc1nnc(C)n1N1C(=O)c2cccc3cccc(c23)C1=O,CID1121354,,0.0,0.0,0.0,,0.0,,,,,,,0.0,0.0,,,
Cc1cc(C)nc(-n2[nH]c(C)c3c(C(F)(F)F)cc(=O)nc2-3)n1,CID2323920,,,,,,,,,0.0,,,,,,,,
CCOC(=O)N1CCN(C(=O)c2ccc3c(=O)n(CCC4=CCCCC4)c(=S)[nH]c3c2)CC1,CID2926725,,,,,,0.0,,,,,,,,,,,
Cc1cccc(-c2cc3c(N=O)c4ccccc4c-3n[nH]2)c1,CID1489562,,,,,,,,,,,,,,0.0,,,
CCCCNS(=O)(=O)c1ccc2nc(SCC(=O)Nc3sccc3C#N)[nH]c2c1,CID2086934,,,,,0.0,,0.0,,,,,0.0,,,,,
Cc1ccc(C(=O)/C=C/Nc2ccc3c(c2)OCO3)cc1,CID2217512,,,,,,0.0,,,,,,,,,,,
Cc1cccc(-c2nc(Nc3ccc(N4CCOCC4)cc3)c3ccccc3n2)c1,CID1190108,,,,,,,,,,,,,,0.0,0.0,,
Cc1nn(-c2ccccc2)c(C)c1NC(=O)COc1ccc2ccccc2c1,CID1300497,,,,,,0.0,,,,,,0.0,,,,,
COC(=O)c1cc(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)cn1C,CID3240133,,,0.0,0.0,0.0,,,0.0,,,,,,,,0.0,
CCOC(=O)Nc1ccc2c(c1)Sc1ccccc1N2C(=O)CCN1CCOCC1,CID1252345,,,,,0.0,,,,0.0,,,,,,,,
CCOc1ccccc1-c1nnc(SCC(=O)NC2CC3CCC2C3)n1CC,CID2976450,0.0,,,,0.0,,,,,0.0,,,,,,,
CCc1ccccc1-n1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nc2[nH]ncc2c1=O,CID3237085,,,0.0,,0.0,,,0.0,,,0.0,,0.0,,,,
O=C(CCCn1c(=O)oc2ccccc21)Nc1cccnc1,CID2594412,,0.0,0.0,,,,,,0.0,0.0,,0.0,,0.0,0.0,,
O=C(CC1CCCC1)Nc1nc2ccccc2[nH]1,CID2583702,,,,0.0,,0.0,,,,0.0,,0.0,,,0.0,0.0,
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CCc4ccccc43)CC2)cc1,CID2594417,,,0.0,,,0.0,,,,,0.0,,0.0,,,0.0,
Cc1ccc(C(=O)OC2CCS(=O)(=O)c3sccc32)cc1,CID4295672,,,,,,0.0,,,,,,,,,,,
Cn1ncc2c(NCc3ccccc3)ncnc21,CID219778,,,,0.0,,0.0,,,,,,0.0,0.0,,,,
Cc1c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C,CID1069012,0.0,,0.0,0.0,,,,0.0,,,,0.0,,,,0.0,0.0
CN(Cc1ccccc1)C(=O)COC(=O)Cn1cnc2ccccc21,CID2421832,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NC(=O)c2ccccc2C)cc1,CID2415160,,,,,,,,,,,,,,0.0,0.0,,
CCc1ccccc1NC(=O)Cn1nnc(-c2cccnc2)n1,CID644502,,,0.0,0.0,,,,0.0,,,0.0,,,,,,
O=C(Nc1ccc(F)cc1)NC1CCN(Cc2nnnn2Cc2ccc3c(c2)OCO3)CC1,CID644508,,,,,,,,,,,,,0.0,,,0.0,
O=C(CSc1ccccc1)Nc1ccccc1C(=O)N1CCCC1,CID1322793,,,,,,,,,,,,,,,0.0,,
Cc1ccc(-c2csc3nc[nH]c(=S)c23)cc1C,CID704016,,,,,,,,,,,,,,,0.0,,
COC(=O)c1c(C)nsc1NC(=O)Oc1ccccc1,CID2465961,,,,,,,,,,,,,,0.0,,,
NC(=O)c1ccsc1NC(=O)COC(=O)c1ccccc1NCc1ccco1,CID2620816,,,,0.0,0.0,,,0.0,,,,0.0,,,,,
COc1ccccc1NC(=O)CCSc1nnnn1C,CID665963,,0.0,,0.0,,0.0,,,,0.0,,,,,,,
Cc1nnc(C)c2c(C)n(Cc3ccc4c(c3)OCO4)c(C)c12,CID665960,,,0.0,,,,0.0,0.0,,,,,,,0.0,,
c1ccc2c(c1)ncn2Cc1nnc2sc(-c3ccc4c(c3)OCO4)nn12,CID665964,0.0,0.0,,,,,,,,,0.0,,,,,,
O=S(=O)(NCc1ccco1)N1CCCCCC1,CID2234231,,,,0.0,0.0,,0.0,,,,,0.0,,,,,
CCOC(=O)c1c(NC(=O)CN2CCCCC2)sc2c1CCC(C=O)=C2Cl,CID1127148,,,,,,,,,,,,,,,0.0,,
CS(=O)(=O)N(CC(=O)NC1CCCC1)c1ccc2c(c1)OCCO2,CID1313499,,,0.0,,,,,,,,,,,,0.0,,
O=C1C2CCCCC2C(=O)N1c1nc2ccccc2s1,CID2856663,,,,,,0.0,,,,,,,,,,,
O=c1nc(N2CCOCC2)ccn1-c1nc(-c2ccccc2)oc1-c1ccccc1,CID980411,,0.0,0.0,,,,,,,,,0.0,,,,,
CC1CCN(C(=O)COc2ccc(-c3ccccc3)cc2)CC1,CID717711,,,,,,0.0,,,,,,,,,,,
CN1CCCC(C(=O)C(C#N)c2ccccc2)C1,CID655141,,,0.0,,,,,0.0,,,,,,,,,0.0
O=C(NN=C1CCCCCC1)c1cc(-c2ccccc2)nc2ccccc12,CID999936,,,,,,,,,,,,0.0,,,,,
COc1ccccc1C(=O)NCC(c1cccnc1)N(C)C,CID3239938,,,,0.0,,0.0,,,,,,,,,,,0.0
CC(NC(=O)Oc1ccccc1)C(c1cccs1)N1CCOCC1,CID3239939,,,0.0,,0.0,,,,,,0.0,,,,,,
COc1ccc(N2Cc3cccc(C(=O)N4CCOCC4)c3C2=O)cc1,CID3239937,,,,,,,,0.0,0.0,,,,,,,,
O=C(CCn1c(=S)[nH]c2ccccc2c1=O)NCC1CCCO1,CID3239930,,0.0,,,,,,,0.0,,,,,,,0.0,
Cc1ccc(N2CCN(C(=O)CNS(=O)(=O)c3ccc(Br)s3)CC2C)cc1,CID3239931,,,,,,,0.0,,0.0,,0.0,,,,,0.0,
Cc1ccccc1-c1nc(CN2CCCC(C(=O)NCCCN3CCOCC3)C2)c(C)o1,CID3239932,,,0.0,,,0.0,,,,,,,,,,,0.0
Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCCCN3CCCC3=O)o2)cc1,CID3239933,,,,,,,,,,0.0,,,,,,,
Cc1ccc(N2C(=O)c3ccccc3C2Nc2cccnc2)nc1,CID5308756,,0.0,,,,,,,,,,,,,,,
CCOC(=O)C1CCCN(C(=O)CCCn2nc(C)n3c(cc4sccc43)c2=O)C1,CID5308751,,,,0.0,,0.0,,,,,,,,,,0.0,
CCOC(=O)N1CCN(c2c(Nc3cc(C)[nH]n3)c(=O)c2=O)CC1,CID5308753,,0.0,,,,,,,,,,,,,,,
CCOC(=O)N1CCC(N2Cc3cccc(C(=O)NC(C)c4ccc5c(c4)OCCO5)c3C2=O)CC1,CID5308752,,,,0.0,,0.0,,,,0.0,,0.0,0.0,,,,
Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc(NCC1CCCO1)n2Cc1ccccc1,CID658802,0.0,,,,,0.0,0.0,,,0.0,0.0,0.0,,,,,0.0
CC12CCC(C(=O)NCc3cccnc3)(OC1=O)C2(C)C,CID2945392,,,,,0.0,,0.0,0.0,,0.0,,,,,,0.0,0.0
COc1ccc(NC(=O)CC(=O)Nc2ccc(OC)cc2OC)c(OC)c1,CID2185081,,,,0.0,0.0,,,,,,,,,,,,
O=c1nc(N(c2ccccc2)c2ccccc2)[nH]c(=O)[nH]1,CID790157,,,,,,,,,,0.0,,,,,0.0,,
O=C1OC(N2CCN(C(=O)C3CCCO3)CC2)c2ccccc21,CID663332,,,0.0,0.0,,,,,,0.0,,,,,,,0.0
c1ccc(-c2nnc3n2N=C(c2ccc4c(c2)OCO4)CS3)nc1,CID663334,0.0,0.0,,0.0,0.0,0.0,0.0,0.0,,,0.0,,,,,,0.0
COC(=O)C(CC(=O)c1ccc(Br)cc1)n1ccnc1,CID2951115,,,,,,,,,0.0,,,,,,,,
O=[N+]([O-])c1ccc(C2CCCC/C2=N\OCc2ccc(F)cc2)c([N+](=O)[O-])c1,CID3731633,,,,,,0.0,,,,,,,,,,,
CN(C)/C=N/c1ncc(C(=O)c2ccc3ccccc3c2)s1,CID5093816,,,,,,0.0,,,,,,,,,,,
O=c1nc(CSc2nnc(-c3cccnc3)n2C2CCCCC2)[nH]c2ccccc12,CID1287328,,,,,,,,,,,0.0,,,,,,
O=C(CNC(=O)c1ccco1)NCC(=O)OC(C(=O)c1ccccc1)c1ccc(Cl)cc1,CID3870573,,,,,,,,,0.0,,,,,,,,
Cn1cccc1Cc1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1CCc1ccccc1,CID5309408,0.0,,0.0,,,,,,,0.0,,,,,,0.0,
O=S(=O)(c1cccc2nsnc12)N1CCN(c2ncccn2)CC1,CID596005,,0.0,,,,,,,,,,0.0,,,,,0.0
Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(C)o3)C2=O)cc1,CID1819632,,,,,,,,,,,,0.0,,,,,
COc1ccccc1S(=O)Cc1ccc(C(=O)NCc2ccccc2Cl)o1,CID5309403,0.0,,0.0,,,,,,,,,,,,,,
Cc1ccc2oc(=O)c3cnn(CC(=O)N(CCCN4CCOCC4)Cc4ccco4)c3c2c1,CID5309401,0.0,,,,,,0.0,0.0,,,,,0.0,,,,
CCOC(=O)N1CCN(c2c(N3CCc4ccccc43)c(=O)c2=O)CC1,CID5309407,,,,,,0.0,0.0,0.0,,,,,,,0.0,0.0,
COc1ccc2c(=O)c3c(=O)n(-c4ccccc4)c(-c4ccco4)nc3oc2c1,CID1955982,,,,,,,,,,,,,,0.0,0.0,,
O=C(Nc1ccccc1C(=O)N1CCNCC1)c1ccco1,CID828759,,,,,,,,,,,0.0,,,,,,
O=C(O)c1cc2cc(OCc3ccccc3)ccc2[nH]1,CID81146,,,,,,,0.0,0.0,,,,,0.0,,0.0,0.0,0.0
COCCN(C(=O)C(F)(F)F)C(C(=O)NC1CCCCC1)c1ccco1,CID650465,,,,,,,,,0.0,,,,,,,0.0,0.0
O=C(Nc1ccc(NC(=O)C2CC2)nc1)c1ccco1,CID650463,,,0.0,,,,,,,,,0.0,,,0.0,,
Cc1c(C(=O)Nn2cnnc2)oc2ccccc12,CID2302032,,0.0,,0.0,,,,,0.0,,,0.0,,0.0,,0.0,
Oc1c(CN2CCN(c3ccc(F)cc3)CC2)cc(Cl)c2cccnc12,CID1263653,,,,,,,,,,,0.0,,,,,,
COc1ccc(C(C(=O)NC2CCCC2)N(C(=O)c2ccoc2C)c2cc(C)cc(C)c2)cc1,CID3207843,,,,,,0.0,,,,,,,,,,,
Cc1ccc(CN2C(=O)c3ccccc3NC2c2ccccn2)cc1,CID4235151,,,,,,,,,,,,,,0.0,,,
COc1ccc(OC)c(NC(=O)c2sc3nc(Cc4ccccc4)cc(C(F)(F)F)c3c2N)c1,CID1006299,,,,,,,,,,,,0.0,,,,,
Cc1cc(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)c(C)s1,CID2576756,,,,,0.0,,,,0.0,,,,,,,,
CC(C)Cn1cnc2c(N)nc3ccccc3c21,CID57469,,0.0,,,,,,,,,,,0.0,,,0.0,
Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCCN3CCN(C)CC3)cc2)cc1,CID3245312,,,0.0,,0.0,,0.0,0.0,,,,,,,0.0,,0.0
CN1C(=C2C(=O)OC(C)(C)OC2=O)Sc2ccccc21,CID3245311,,,,,,,,0.0,,,,,,,,,
COc1ccc(CN2CCN(C(=O)C3CCC(CNS(=O)(=O)c4ccccc4)CC3)CC2)c(OC)c1OC,CID16195571,,,,,,,,,,,,,,0.0,,,
CC(/C=C1\SC(=S)N(C(Cc2ccccc2)C(=O)O)C1=O)=C\c1ccccc1,CID5347096,,,,,,0.0,,,,,,,,,,,
Cc1cc(NC(=O)COC(=O)C2COc3ccccc3O2)no1,CID2998744,,,,,,,,0.0,,,,,,,,,0.0
Cc1cc(C(=O)CN2C(=O)c3ccccc3C2=O)c(C)n1Cc1cccs1,CID2998745,,0.0,,0.0,,,,0.0,,,,0.0,,,,,
O=S(=O)(c1ccc2c(c1)nc(COc1ccc(Cl)cc1)n2CC1CCCO1)N1CCOCC1,CID2998742,0.0,,0.0,,0.0,0.0,,,0.0,,,0.0,,,,,
COc1ccc(C(=O)NCC(=O)OC2CCCCC2=O)cc1,CID2998743,,,,,,,0.0,,,,,,0.0,,,,0.0
CC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)NCCCn3ccnc3)cc2)C1,CID2998740,,,0.0,0.0,,,,,,,,,,,,,
CC1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)Nc2ccc(N3CCOCC3)cc2)C1=O,CID2998741,,,0.0,,,,0.0,,,,,,,,0.0,,0.0
CCN(CC(=O)NCc1ccc(F)cc1)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1,CID2999293,,,0.0,,,,,,,,,,,,,,
COc1ccc(-n2nnnc2Sc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1,CID2999291,,,0.0,,,,0.0,,,,,,,,,0.0,
O=C(COC(=O)c1ccc2c(c1)OCCO2)NCCC1=CCCCC1,CID2999290,,,,,,0.0,0.0,0.0,,,,,0.0,,,0.0,
Cc1nn(-c2ccc(Cl)cc2)c(N)c1C(O)(CSc1nccn1C)C(F)(F)F,CID2999297,,,,,0.0,,,,,,,,,,,,
O=C(CN1C(=O)c2cccc3cccc1c23)Nc1cccnc1,CID937181,,,0.0,,,,,0.0,,,,,,,,,
CC(=O)Oc1cc2c(C(=O)NCCCN3CCOCC3)c(C)oc2c2ccccc12,CID2142320,,,,,,0.0,,,0.0,,,0.0,,,,,
c1ccc(-c2nc(N3CCCCCC3)c3ccccc3n2)nc1,CID665597,,,,0.0,,,0.0,,,,,0.0,0.0,,,,
CCOC(=O)N1CCN(Cc2cc(=O)oc3ccc4ccccc4c23)CC1,CID665596,,,,,,,,,,,,0.0,,,,,
O=C1CC(c2ccco2)Cc2nc(Nc3nc(-c4ccccc4)c4ccccc4n3)ncc21,CID665595,,,,,,0.0,0.0,,,,0.0,0.0,,,,,0.0
COc1ccc(-n2nnc3c(SCC(=O)c4ccccc4)ncnc32)cc1,CID3238859,0.0,,,,0.0,,0.0,,,,,,,,,0.0,
COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)C3CCCCC3)cc12,CID3238850,0.0,,0.0,0.0,,,,0.0,0.0,,0.0,0.0,,,,,0.0
CC(=O)c1c(C)[nH]c(C(=O)N2CCc3ccccc3C2)c1C,CID3238851,,,0.0,0.0,0.0,,,,,,,0.0,,,,,0.0
CCCCn1c(SCC(=O)NCC2CCCO2)nc2ccc(N3CCOCC3)cc2c1=O,CID3238855,,,0.0,,,,,,,,,,,,,,0.0
O=C(CCCN1C(=O)C2C3C=CC(C3)C2C1=O)N1CCN(c2ccccc2)CC1,CID3244446,,,,,,0.0,,,,,,,,,,,
COc1ccc(N(CC(O)CN2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1,CID648178,,,,0.0,,,,,,,,,,,,,
CCS(=O)(=O)N1CCC(C(=O)NCCCN2CCCC2)CC1,CID3239105,,0.0,,0.0,,0.0,0.0,,0.0,,0.0,,,,,0.0,
CC(c1ccccc1)n1cc(C(=O)NCCN2CCOCC2)nn1,CID648177,,,,,,,0.0,,,,,,,,,,
O=C(NCCN1CCOCC1)c1cc(-c2ccco2)on1,CID3239103,,0.0,,,,,,0.0,,,,,,,,,0.0
COCCN(C(=O)CNC(=O)c1cccs1)C(C(=O)NC1CCCCC1)c1ccco1,CID648173,,,,,0.0,,,,0.0,,,,0.0,,0.0,,0.0
Cc1noc(C)c1S(=O)(=O)NCc1ccc2c(c1)OCO2,CID3686230,,,0.0,,,,,,,,,,,,,0.0,
Cc1c(NC(=O)CSc2nnnn2C)c(=O)n(-c2ccccc2)n1C,CID1224972,,,,,,,,,,,0.0,,,,,,
Cc1nc(=O)c(-c2ccccc2)c(C)n1Cc1ccccc1,CID781510,0.0,,,,,0.0,0.0,,0.0,,,,,,,,
Cc1ccc(C)c(SCC(=O)OCC(=O)c2ccco2)c1,CID2336424,,,,,,,,,,,,,,0.0,,,
Cn1cnnc1SCC(=O)c1ccco1,CID2336421,,,,,,,,,,,,,0.0,,,,0.0
CN1CCN(CC(=O)Nc2c(C(=O)C3CC3)oc3ccccc23)CC1,CID535726,,,,,,,0.0,0.0,,,0.0,0.0,0.0,,,,
O=C(Nc1ccncc1)c1ccc2c(c1)OCCO2,CID788870,0.0,,,,,,0.0,,,,,,,0.0,,,
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)n1,CID1001748,,,,,,,,,0.0,,,,,,,,0.0
CCN(C(=O)COC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O)C1CCS(=O)(=O)C1,CID2999438,,,,,,,,,,,,,0.0,,,,
O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc(-c2cn3ccsc3n2)cc1,CID2999437,0.0,,0.0,,0.0,0.0,,,,,,,,,,,0.0
CC(C)Cn1c(SCC(=O)NC(=O)NC2CCCC2)nc2ccccc21,CID2999434,0.0,,,,,,,,,,0.0,,,,,0.0,
CC(C)C(NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NCCc1ccccn1,CID2999432,,,0.0,,0.0,,,0.0,0.0,,0.0,,,,,,0.0
CCN1CCc2nc(NC(=O)Cc3ccc4c(c3)OCCO4)sc2C1,CID2496855,,0.0,,,0.0,,0.0,,,,0.0,,,,,,
Cn1c(=S)[nH]c2cccnc21,CID661574,,0.0,,0.0,,,,,,,,,0.0,,,,
CC(C)(C)C(=O)Cn1ncc(NC2CC2)c(Br)c1=O,CID1490405,,,,,,,,,,,,0.0,,,0.0,,
O=C(CSc1nnnn1Cc1ccccc1)NCC(=O)c1ccccc1,CID562108,,,0.0,0.0,0.0,,,,,,0.0,,,,,0.0,
O=c1[nH]nc(Cc2ccccn2)c2ccccc12,CID872966,,,0.0,,,0.0,,0.0,,,,,0.0,,,,
O=C(NC1CCN(S(=O)(=O)c2ccccc2)CC1)C1CCCCC1,CID3218779,,,,,,,,,,,0.0,,,,,,
O=C(NCC1(N2CCOCC2)CCCCC1)c1cc2ccccc2o1,CID2473891,,,,,,,,,0.0,,,0.0,,,,,
CN(Cc1ccccc1NCC(=O)Nc1ccccc1C#N)C1CCCCC1,CID2529783,,,,,,,,,,,,,,0.0,,,
c1ccc(OCc2nnc3sc(-c4cccs4)nn23)cc1,CID645009,0.0,,,0.0,0.0,,,,,,0.0,,,,,,
Cc1ccc(C(=O)N2C(=S)C(c3ccc(F)cc3)=NC23CCN(C)CC3)cc1,CID2151648,,,,,,,,,,,,,,0.0,,,
O=c1cc(CSc2ccccn2)[nH]c(=O)[nH]1,CID645005,,,,,,,,,,,,0.0,,,,,
COc1ccc2c(CC(=O)Nc3ccc(OC)nc3)coc2c1,CID2475064,,,,,,,,,,,,,,,0.0,,
CC(C)C(C(=O)NCC1CCCO1)N(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccccc1,CID3206823,,,,,,,,,,,,,,,0.0,,
CCN1C(=O)c2cccc3c(NC(=O)c4ccc5c(c4)OCCO5)ccc1c23,CID3241305,0.0,,,,,,,,,,,,,,,,0.0
CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1,CID3241306,0.0,,,,0.0,,,0.0,,,,,,,,,
C=CCn1c(SCc2cc(=O)n3ccsc3n2)nc2sc(C)c(C)c2c1=O,CID2589460,,,,,0.0,,,,,,,,,,,,
CCOC(=O)N1CCN(C(=O)CCCN2C(=O)CSc3nc(C)cc(C)c32)CC1,CID3240861,,,,,,,,,,,,,,,,,0.0
O=C(Cc1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1,CID5720196,,,,,,0.0,,0.0,,,,,,,,0.0,
CCOC(=O)N1CCN(c2nc(N(c3ccccc3)c3ccccc3)nc(-n3ccnc3)n2)CC1,CID3240865,0.0,,,,,,,,,0.0,,,,,,,
O=C(Nc1cccc(C(=O)N2CCN(Cc3ccccc3)CC2)c1)c1ccccc1,CID2937280,,,,,,,,,,,,0.0,,,,,
CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c2cccnc12,CID3241933,,,,,,,,1.0,,,,0.0,,,,,
Cc1cc(=O)oc2cc(OC(C)C(=O)Nc3nccs3)ccc12,CID2969827,,,,1.0,,,,,0.0,,0.0,,,,,,
CC(=O)c1c(C)[nH]c(C(=O)OCc2nnc(-c3ccccc3)o2)c1C,CID2081549,,,,,,,,,0.0,,,,0.0,,0.0,,
C#CCSc1nncn1C(=O)/C=C/c1ccccc1,CID5344956,,,,,,,,,,,,,,0.0,,,
O=C(Cn1c(=O)n(CC(=O)NCc2ccccc2)c2ccccc21)NCc1ccccc1,CID1109829,,,,,,,,,,,0.0,0.0,,,,,
CCOC(=O)N1CCN(C(=O)Cn2ncn3nc(-c4cccs4)cc3c2=O)CC1,CID3237948,,0.0,,0.0,,,,0.0,,,,,,,,0.0,
O=C(CCN1CCCCC1)NCC1OCCc2ccccc21,CID2842448,0.0,,,,,,,,,,,,,,,,0.0
Cc1cccnc1N(C(=O)Nc1ccccc1)C1=NCC(C)(C)S1,CID658217,0.0,,,,,,0.0,,,,0.0,,,,,,0.0
CCOC(=O)C1=C(C)N/C(=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)C1=O,CID5348532,,,,,,0.0,,,,,,,,,,,
S=c1nc(C2CC2)[nH]c2ccccc12,CID977351,,0.0,,0.0,,,,,,,,,,,,,0.0
CCN(CC)c1ccc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)cc1,CID3259540,,,,,,,,,,,,,,0.0,,,
COc1ccc(NCC(=O)N/N=C/C(C)c2ccccc2)cc1,CID4416111,,,,,,,,,,,,,,,0.0,,
Cc1cccc(NS(=O)(=O)c2cnc(Cl)c(Br)c2)n1,CID1034215,,,,,,,,,,,,,,,0.0,,
CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(C(C)CCn2cccn2)CC1,CID16188620,,,,,,,,,,,,,,,0.0,,
O=C(NCc1ccccc1)NC1(C(=O)N2CCN3CCCC3C2)CCCCC1,CID3230440,,,,,,,,,0.0,,0.0,,,,,,
CC1(NC(=O)COc2ccccc2-c2ccccc2)CCS(=O)(=O)C1,CID4885216,,,,,,,,,,,,0.0,,,,,
O=C(NCC1CCCO1)c1cccc(N2C(=O)C3C4C=CC(C4)C3C2=O)c1,CID660315,,,,,,,,,,0.0,,,,,,0.0,
CCOC(=O)C1CCCN(c2nc3ccccc3nc2C(C#N)C(=O)NCc2ccccc2)C1,CID660313,,,0.0,,,,,,,,,0.0,,,,,
O=C1NC(=O)C(c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)N1,CID660311,,,0.0,,,,,,,,,0.0,,,,,
O=S(=O)(CCSc1nc2ccccc2o1)c1nc2ccccc2s1,CID1319216,,,0.0,,0.0,,,,0.0,,,,,0.0,,,
O=C(NCc1ccco1)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12,CID7162316,,,,,,,,,,,,,,0.0,,,
O=C(Nc1cccc(Cl)c1)c1c(O)n(Cc2ccco2)c2c(c1=O)CCCC2,CID660318,0.0,0.0,0.0,0.0,,,,,,0.0,,,,,,0.0,0.0
O=C(O)c1cc2sccc2s1,CID660319,,,,,,0.0,,,,,,,,,,,
O=C(Cn1nnc(-c2ccccc2)n1)OCc1csc(-c2ccccc2)n1,CID2422597,0.0,0.0,,,0.0,,,,,,0.0,,,,,,
CN1/C(=c2\cc3c(oc2=O)=C(CN2CCOCC2)C(=O)C=C3)Nc2ccccc21,CID5349666,,,,,,0.0,,,,,,,,,,,
CC1N/C(=C\C(=O)c2ccccc2)N(O)C1(C)C,CID5389116,,0.0,,,,,,,,0.0,,,,,,,0.0
CC(C)OC(=O)C1C(c2ccc(Cl)cc2)C(C#N)(C(N)=O)C2C=CC(C(N)=O)=CN12,CID5389117,,,,,,,0.0,,,,,0.0,,,,,
O=S(=O)(c1ccc(OCC(O)CN2CCc3ccccc3C2)cc1)N1CCOCC1,CID3000082,,0.0,0.0,,0.0,,,,,,0.0,,,,,0.0,
CCc1nc2ccccc2n1CC(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1,CID3000085,0.0,,,,0.0,,,,,,,,,,,,0.0
O=C1CCCc2c1[nH]c1ccc(CN3CCCCC3)cc21,CID755598,0.0,,,,,0.0,,,,0.0,,0.0,,,,0.0,
O=C(NC1CCCCC1)N1CCCCCC1,CID806154,,,,0.0,,0.0,0.0,,,0.0,,0.0,,,,,
O=C1C(Cl)=C(NCC2CCCO2)C(=O)N1C1CCCCC1,CID2789983,0.0,,,0.0,,,,,,0.0,,,,,,,0.0
COc1ccccc1-c1nc(SCc2ccccn2)n[nH]1,CID661041,0.0,0.0,0.0,,0.0,,0.0,,,,,,,,,0.0,
O/N=C1\CCCCC1c1ccccn1,CID661043,,0.0,,0.0,,0.0,,0.0,,,,0.0,,,0.0,0.0,
O=S(=O)(Cc1ccccc1)N1CCCCCC1,CID669274,,,,,0.0,,0.0,,,,,,0.0,0.0,,0.0,0.0
O=S(=O)(Cc1ccccc1)N1CCc2ccccc2C1,CID669275,,,,,,,,,,,,,0.0,0.0,,,0.0
O=C(NN=C1CCCCCCCCCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1,CID4694421,,,,,,,,,,,,,,,0.0,,
O=C1C(Cl)=C(NCC2CCCO2)C(=O)N1CCc1ccccc1,CID2939610,0.0,,,0.0,,,0.0,,,,,,,,,0.0,0.0
CC1=C(C(N)=O)C(c2cccs2)N2NC(c3cccc(Cl)c3)=NC2=N1,CID5771358,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C2CC(C(F)F)N3NC=C(C(=O)Nc4cnn(Cc5ccccc5C)c4)C3=N2)cc1,CID5771357,,,,,,,,,,,,,,,,0.0,
C/C(NC1CC1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1,CID5453478,,,,,,,,,,,,,,,0.0,,
CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCc1ccco1,CID5453475,,,0.0,,,,,0.0,,,,,,,,,
Cc1ccc(CN2CCN(CC3CC4C=CC3C4)CC2)cc1,CID2879971,,,,,,,,,,,,,,,0.0,,
O=C(c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1)N1CCCC1,CID2982275,,,,,0.0,,,,,,,,,,,,0.0
COc1ccc(C(=O)NC(C(=O)OCC(=O)NC(=O)c2cccn2C)C(C)C)cc1,CID2124170,,,,,,,,,,,,,,0.0,,,
CCN(C(=O)CSc1nnnn1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,CID2460587,,,,,,,,,,,,,,,0.0,,
CC(=O)c1ccc(S(=O)(=O)N(C2=NCCCS2)c2cccc3ccccc23)cc1,CID1431192,,,,,,,,,,,,,,0.0,,,
Cc1nc2c(ccc3nc(NC(=O)c4ccc(S(=O)(=O)N(C)C)cc4)sc32)s1,CID3245324,,,,,0.0,0.0,,,,,,,,,,,
Brc1ccc(-c2nnc3sc(CN4CCc5ccccc5C4)cn23)cc1,CID3245323,0.0,,,,,,,,,,,,,,,0.0,
Nc1c(C(=O)NCc2ccccc2)sc2nc(N3CCOCC3)c3c(c12)CCCC3,CID3698747,,,,,,0.0,,,,,,,,,,,
O=C(O)C1C2C=CC(C2)C1C(=O)N1CCN(CCO)CC1,CID3244451,,0.0,,,,,,,,,,,,,,,0.0
CCOc1ccc(N2C(=O)CC(NCCc3ccncc3)C2=O)cc1,CID2962724,,,,0.0,,,,,,,,0.0,0.0,,,,
CCc1nnc(NC(=O)CCC(=O)NC2CCCCC2)s1,CID664483,,0.0,,,,0.0,,,0.0,,0.0,0.0,,0.0,,0.0,
Cc1ccc(C(=O)C(OC(=O)c2cnccn2)c2ccccc2)cc1,CID2926481,,,,,,,,,,,,,,0.0,,,
O=C1C2CC=C(Cl)CC2C(=O)N1CN(Cc1ccco1)CN1C(=O)C2CC=C(Cl)CC2C1=O,CID2870946,0.0,,,,,,,,,,,,0.0,,,,
COC(=O)c1c(NC(=O)Cn2cc([N+](=O)[O-])cn2)sc2c1CCC2,CID1012266,,,,,,,,,,,,,,,0.0,,
CC1(C)CC2CC(C)(CN2C(=O)c2cccs2)C1,CID2928467,,,,,,,0.0,,,,,,,,,,
COc1cccc(C(=O)N2N=C(c3ccccc3)CC2(O)C(F)(F)F)c1,CID3147069,,,,,,,,,,,,,,0.0,,,
CCc1c(C(=O)Nc2nnc(C3CC3)s2)csc1C,CID1244999,0.0,,,0.0,0.0,,,,0.0,,,,0.0,,,,
Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccccn1,CID661826,1.0,,,,0.0,0.0,,0.0,,,0.0,,,,,,
O=C(Nc1nc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1)c1ccco1,CID661823,,,,,,,,,,,,0.0,,,,,0.0
Nc1nc(NC(=O)CCc2ccccc2)nn1-c1ccccc1,CID661821,0.0,,,,,,,,,,,,,,,,
Nc1c(C(=O)NC2CCCC2)c2nc3ccccc3nc2n1N,CID661829,,,0.0,,,,,,,0.0,,,,,,,
CCC1CCCCN1CCCNC(=O)C1CCC(Cn2c(=O)[nH]c3ccccc3c2=O)CC1,CID6620502,,,,,,0.0,,,,,,,,,0.0,,
O=C(Nc1cccn2ncnc12)c1ccccc1,CID1473692,,,,,,0.0,,,,,,0.0,,0.0,,,
CCOc1ccc(-c2nnn(CC(=O)N3CCCC(C)C3)n2)cc1,CID3171709,,,,,,,,,,,,,,,0.0,,
Nc1cc(=O)nc(SCc2ccccc2)n1Cc1ccco1,CID1258891,0.0,,0.0,0.0,0.0,,0.0,0.0,,,,,,,,,
COc1ccc(NC(=O)C2CC(=O)N(c3cccc(Cl)c3)C(=O)N2NC(=O)c2ccncc2)cc1,CID2943667,,,,,,,,,,,,,,0.0,,,
CCN1C(=O)/C(=C\N2CCCCCC2)SC1=S,CID664375,,,,,0.0,,0.0,,,,,,,0.0,,,
O=C(CCn1nc(-c2ccccc2)ccc1=O)N1CCCC1,CID3240208,,,,0.0,,,,0.0,,,,,,,,,0.0
Cc1cccc(C)c1NC(=O)C1(NC(=O)C2CCCN2C(=O)OC(C)(C)C)CCCCC1,CID3240207,,,,,,,0.0,,0.0,,0.0,0.0,,,,,
CC(C)OCCCN1C(=O)c2ccccc2C1C(=O)NC1CCCCC1,CID3240204,,,,,0.0,,,,0.0,,,0.0,,,,,0.0
CCOc1cc(NC2CS(=O)(=O)CC2O)c(OCC)cc1NC(=O)c1ccccc1,CID3240200,,,,,0.0,,,,,,0.0,,,,,,
Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)NCc2cccnc2)cc1,CID2711914,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)n2nc(S(=O)(=O)NCCc3ccccc3)nc2n1,CID715192,,0.0,,0.0,,,,,0.0,,,,0.0,,,0.0,
O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCc2ccccc2C1,CID1428553,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)c1,CID2098823,,,,,0.0,,,,,0.0,,,,,,,
Cc1cc(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)c(C)o1,CID2373429,,,,,,,,,,,,,,,,,0.0
Cc1ccc(OCCSc2nnc(NC(=O)c3ccco3)s2)cc1,CID2199587,0.0,,0.0,,0.0,,0.0,,0.0,0.0,0.0,,0.0,0.0,,,
O=C(CCn1c(=O)oc2ccccc21)NC1=NCCS1,CID3163775,,,,0.0,0.0,,,0.0,,,,,,,,,
O=C(CCn1c(=O)oc2ccccc21)Nc1nc2ccccc2s1,CID3163776,,,,,,,,,0.0,0.0,0.0,,,,,,
CCSc1nnc(NC(=O)CCn2c(=O)oc3ccccc32)s1,CID3163777,0.0,,,0.0,0.0,,,,0.0,,0.0,,,,,,
O=C(/C=C/c1ccco1)OCn1nnc2ccccc2c1=O,CID2122512,,,,,,,,,,,,,,0.0,,,
CC1CCN(S(=O)(=O)c2ccc3ncn(CC(=O)N(C)C4CCCCC4)c(=O)c3c2)CC1,CID4179180,,,,,,,,,,,,,,0.0,,,
CC(OC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)C(=O)Nc1ccc(Cl)cn1,CID3365953,,,,,,,,,,,,,,,0.0,,
COc1ccc(NC(C)=O)cc1NC(C)C(=O)Nc1cccc2ccccc12,CID4882277,,,,,,,,,,,0.0,,,,,,
CC1CCc2sc(C(=O)NNC3=c4ccccc4=NC3=O)cc2C1,CID6216024,,,,,,,,,,,,,,0.0,,,
N#Cc1nc(-c2ccco2)oc1NCCCn1ccnc1,CID664990,,0.0,,0.0,,,0.0,,,,,,,,,,
CC1SC(NC(=O)c2ccco2)=NC1=O,CID2905858,,,,0.0,0.0,,0.0,,,,,0.0,,,,,
O=C(N/N=C/c1ccc(N2CCOCC2)o1)c1cccc(F)c1,CID1240362,,,,,,,,,0.0,,,0.0,,,,,
O=C(CSc1nnc(-c2cccc(F)c2)n1-c1ccccc1)NCc1ccccc1,CID1240360,,,,,,0.0,,,,,,,,,,,
O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)N1CCC2(O)CCCCC2C1,CID665029,0.0,,,0.0,,,,,,,,,0.0,,,,0.0
COc1cc2nc(N3CCN(C(=O)C4CCCO4)CC3)nc(N)c2cc1OC,CID5401,,0.0,,0.0,,,,,,,,,,,,,
O=C(CSc1nc2ccccc2[nH]1)OCc1ccccc1,CID708332,,,,,,0.0,,,,,,,,,,,
Cc1oc(-c2ccccc2Cl)nc1CSCC(=O)NC1CC1,CID3239474,0.0,,0.0,0.0,0.0,0.0,,,,0.0,,,,,,0.0,0.0
CNc1nc(C)c(C(=O)OCc2ccccc2)s1,CID752042,,,,,0.0,,0.0,,,,0.0,0.0,0.0,,,,0.0
CC1=NC(C(F)(F)F)(C(F)(F)F)C(C#N)=C(C)N1,CID973821,,,,,,,,,0.0,,,,,,,,
O=C(COC(=O)C1CCC1)Nc1ccc(OC(F)F)cc1,CID2423096,,,,,,,,,,,,,,,,,0.0
Cc1nn(-c2nc3ccccc3[nH]2)c(N)c1-c1ccccc1,CID718748,,,,,,,,,,0.0,,0.0,,,,0.0,
COc1ccc(C2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)C3c2cccnc2)cc1OC,CID2941241,,,,,0.0,,0.0,,,,,,0.0,,,,
O=C(CSc1nc(=O)cc(-c2ccccc2)[nH]1)N1CCOCC1,CID718743,0.0,,,,,,,0.0,,,,,,,,0.0,
COc1ccc(-n2cnnc2SCc2ncc(-c3ccccc3)o2)cc1,CID2563465,0.0,,0.0,,0.0,,0.0,0.0,,,,,,,,0.0,
S=C(NCCCN1CCOCC1)NCCCN1CCOCC1,CID4056941,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)C2CCCN(Cc3cnc(N4CCCC4)s3)C2)cc1OC,CID16190476,,,,,,,,,,,,,,0.0,,,
O=C(Nc1nnc(SCC(=O)N2CCCCC2)s1)C1CCCCC1,CID654915,0.0,,,0.0,0.0,,,,0.0,0.0,0.0,,,,,0.0,
CC(C)(C)NC(=O)C(OC(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccncc1,CID654913,,,,,,,,,,,,,0.0,,,,
Nc1nc(Br)c2ccccc2c1-c1ccc(F)cc1,CID1476007,,,,,,,,,,,,,,,0.0,,
CCCN(S(=O)(=O)c1ccc(OCC)cc1)S(=O)(=O)c1cccs1,CID2539500,,,,,0.0,,0.0,,0.0,,,,,,,,
COc1ccc(CC(=O)NC(C)c2nnc(SCc3nc(=O)c4ccccc4[nH]3)n2C)cc1,CID2977229,,,,,,,,0.0,,0.0,0.0,,0.0,,,0.0,
Cc1scc(C(=O)N2CCN(S(C)(=O)=O)CC2)c1-c1ccccc1,CID1246755,,,0.0,,,,0.0,,0.0,,0.0,,0.0,0.0,0.0,,
O=C(Nn1cc(C(=O)N2CCN(c3ccccc3F)CC2)c2ccccc2c1=O)c1cnccn1,CID3240232,,,0.0,,,,,,,0.0,,,,,,,
Cc1cc(NC(=O)CN2CCN(c3ccccc3F)CC2)nc2c1c(=O)oc1ccccc12,CID5310289,,,,,,,,,,0.0,0.0,,,,,,
O=C1OC(N2CCN(Cc3ccccc3)CC2)c2ccccc21,CID664363,0.0,,0.0,,,,0.0,,,,0.0,,,,,,0.0
O=C(NCC1CCCO1)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1,CID5309304,,0.0,,,,,,0.0,,,,,,,,0.0,
Cc1ccc2nc(NC(=O)Cn3cc4c(n3)CCCCC4)sc2c1,CID5309307,0.0,,,0.0,,,,,,,,0.0,0.0,,0.0,0.0,
CC1CCCCN1CCNC(=O)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1,CID5309306,,,,,,,,,0.0,,,,,,,,
O=C(NCCN1CCOCC1)c1ccc2c(c1)N(Cc1ccccc1)CCS2,CID5309301,,,,0.0,,,,,,,,,,,,,
CC12CCCCC1c1ccccc1C(NCC(=O)O)=N2,CID3240235,,,,,,,,,,,,,,,,,0.0
COc1cc(-c2nc3ccc(C)cn3c2Nc2ccc3c(c2)OCCO3)ccc1O,CID7106793,,,,,,,,,,,,,,0.0,,,
Cc1nnsc1S(=O)(=O)Cc1ccccc1Cl,CID1483011,,,,,,,,,,,,0.0,,,,,
CCC(C)C(=O)Nc1nc(-c2ccc3c(c2)NC(=O)CO3)cs1,CID3227517,,,,,,,,,0.0,,0.0,,,,,,
O=C(COC(=O)C1CC1)Nc1ccccc1Sc1ccccc1,CID2128872,,,,,,,,,,,,,,0.0,,,
Cc1cnn(-c2cc(N/N=C/c3ccccc3)ncn2)c1,CID2842138,,,,,,0.0,,,,,,,,,,,
CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1c1ccccc1,CID5310861,,,,0.0,,,,,,,,,,,,,
CN(C)S(=O)(=O)c1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCCCC3)C2c2cccnc2)cc1,CID5310866,,,,,,,0.0,0.0,,,,,0.0,,,,
O=[N+]([O-])c1ccc(N/N=C/c2cccn2-c2ccccc2)nc1,CID3825728,,,,,,0.0,,,,,,,,,0.0,,
Cn1c(C(=O)N2CCN(c3ccccn3)CC2)cc2c(=O)n(C)c3ccccc3c21,CID5308654,0.0,0.0,,0.0,,,,,,,,,,,,,
O=C(C1CCCN1S(=O)(=O)c1cccc2cccnc12)N1CCn2c1nc1ccccc12,CID5308655,0.0,,,,,,,,,,,,0.0,,,0.0,
c1ccc2c(c1)nc1n2CCS1,CID658587,,,0.0,,,,,,,,,,,,,0.0,
O=C(Nc1nccs1)C1CCCN1S(=O)(=O)c1cccc2cccnc12,CID5308659,0.0,,,,,0.0,,,,,,,0.0,,,0.0,
COc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(OC)c1,CID4059870,,,,,,,,,,,,,,,0.0,,
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(C)CCc3ccccc3)CC2)cc1,CID2900397,,,,,0.0,,,,,,,,,,,,
CN1C(=O)NC(c2ccccc2)C2=C1CN(c1ccc3ccccc3c1)C2=O,CID3643008,,,,,,0.0,,,,,,,,,,,
Cc1nnc(Sc2c(-c3ccccc3)c3ccc(Cl)cc3[nH]c2=O)s1,CID1906108,,,,,,0.0,,,0.0,,0.0,,,0.0,0.0,,
O=C(O)CC(C(=O)Nc1cccc(C(F)(F)F)c1)C1CCCO1,CID2907936,,,,,,,,,0.0,,,,,,,,0.0
O=C(CCCn1c(=O)oc2ccccc21)N1CCc2ccccc2C1,CID2576650,,,,,0.0,,,,,0.0,,,0.0,,,,0.0
O=C(Nc1ccccn1)C(=O)N1CCCCC1,CID2205831,,,,,,,,,0.0,,,0.0,,,0.0,,
COc1ccc(NC(=O)C2CCC(N3C(=O)C4C5C=CC(C5)C4C3=O)CC2)cc1,CID2914941,,,,,,,,,,,,,,,0.0,,
O=c1oc(-c2cccs2)nc2sc3c(c12)CCC3,CID750031,,,,,,,,,0.0,,,,,0.0,,,
Cc1sc2ncn(CC(=O)NCC(=O)N(C)C3CCCCC3)c(=O)c2c1C,CID3436414,,,,,,0.0,,,,,,,,,,,
CCOc1ccc(NC(=O)CCCN2C(=S)NC(C)(C)CC2C)cc1,CID4219710,,,,,,,,,,,,,,,0.0,,
O=S(=O)(CC(CN1CCCC1)N1CCCC1)c1ccc2ccccc2c1,CID2955483,0.0,,,0.0,,,0.0,,,0.0,,0.0,,,,,
Cn1c(=O)c2ncn(CC(=O)NCCC3=CCCCC3)c2n(C)c1=O,CID970101,,0.0,,,,,,,,,,,,0.0,,0.0,
CCOc1cc(C)nc(NCCc2ccc(OC)c(OC)c2)n1,CID646275,,,,,0.0,,,,0.0,,,0.0,0.0,,,,0.0
Cc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)s1,CID1070244,,,,,,0.0,,,,,,,,0.0,0.0,,
COc1ccc(-c2nncnn2)cc1,CID824652,,,,,,,,,,0.0,,,,,,,
COC(c1ccccc1)c1nnc(CCC(=O)NCCCc2ccccc2)o1,CID16192457,,,,,,,,,,,,,,,0.0,,
CCn1c(CSc2nnc3ccccn23)nc2cc(C(=O)O)ccc21,CID2123860,,0.0,,,0.0,,,,,,,,,,,,
C=CCN1/C(=N/c2cccnc2)SCC1(O)c1ccc(C)cc1,CID3243408,,,,,0.0,0.0,,,,,,,0.0,0.0,,0.0,
O=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1ccc2c(c1)OCCO2,CID3243405,,,,,,,,0.0,,,,,,,,,0.0
CCN1CCN(C(=O)Cc2coc3ccc4ccccc4c23)CC1,CID975057,,,,,,,,,,,0.0,,,,,,
C=CCn1c(NC(=O)c2ccc(C)cc2)c(C#N)sc1=N,CID3241801,,0.0,,0.0,,,,,,0.0,,,,,,,
CCOC(=O)CSc1nc2cc(C(=O)NCc3ccco3)ccc2c(=O)n1-c1ccc(F)cc1,CID3241807,,,,,,,,,,0.0,0.0,,,,,,
O=C(NCc1ccccn1)C1=CC2=NC(c3ccco3)CC(C(F)(F)F)N2N1,CID5738645,0.0,,,,,,,,,,,,,,,,
CCOC(=O)N1CCN(C(=O)CCS(=O)(=O)c2ccc(Br)s2)CC1,CID3241804,,,,,,,,,0.0,,,,,,,,
CC1CC(C)CN(CCCNC(=O)Cc2c(C(=O)O)[nH]c3ccccc23)C1,CID3241809,,,,,,,0.0,,,0.0,,,,,,,
O=C(/C=C/c1ccccc1Cl)Nc1ccncc1,CID875821,,,,,,0.0,,,,,,,,,,,
CC1=C2C(=NC(=O)N(c3ccccc3)C23C(=O)N(C)c2ccccc23)N(c2ccccc2)N1,CID5742456,,0.0,,,,0.0,,,,,,,,,,,
S=C(c1nc2ccccc2[nH]1)N1CCOCC1,CID768495,,,,,,,,,,0.0,0.0,,,,,,
O=C(OCC(=O)N1CCCCC1)c1c[nH]c(=O)[nH]c1=O,CID2104794,,,,,,,,0.0,,,,,0.0,,,0.0,
CC1CCCCC1NC(=O)Cn1[nH]c(=O)c2ccccc2c1=O,CID2999319,,,0.0,0.0,0.0,,0.0,0.0,,0.0,,,,,,0.0,0.0
O=C(CC1Nc2ccccc2NC1=O)NC1CCCCC1,CID647104,0.0,0.0,0.0,,,,,,,,,,,,,0.0,
Cc1sc(NC(=O)COc2cccc(-n3cnnn3)c2)c(C#N)c1C,CID647106,,0.0,,,0.0,,,0.0,,,,0.0,0.0,,,,
O=C(Nc1ccc(C2CCCCC2)cc1)C1CCN(c2ncccn2)CC1,CID647100,0.0,,0.0,,,0.0,,0.0,,,,,0.0,,,0.0,
CCC(C)(C)n1nnnc1C(c1ccc2ncccc2c1)N1CCN(c2nc3ccccc3s2)CC1,CID647101,,,,,0.0,,,,,,,,,,,,
CCOC(=O)C1CCCN(C(=O)c2cc(=O)c3ccccc3o2)C1,CID2999310,,,,,,,,0.0,,,,,,,,0.0,
O=C(CN1C(=O)CCC1=O)Nc1cccc2c1C(=O)NC2=O,CID4432160,,,,,,,,,,,,,,,0.0,,
COCCn1c(SCC(=O)Nc2ccccc2OC)nc2c(oc3ccccc32)c1=O,CID2150499,,,,,,,,,,,,,,,0.0,,
O=c1c2ccccc2nnn1CSc1nnc(COc2ccc(Cl)cc2)n1Cc1ccco1,CID2108763,0.0,,0.0,,0.0,,,,,,0.0,,,,,,0.0
COc1ccc(CCC(=O)Nc2nc3c(s2)CN(C)CC3)cc1OC,CID2562343,,0.0,,,0.0,0.0,0.0,0.0,,,0.0,,,0.0,,0.0,
COc1ccc(CCNC(=O)CCCCn2c(=O)[nH]c3ccccc3c2=O)cc1OC,CID3236310,,,0.0,,,,,,0.0,,,0.0,0.0,,,0.0,
CCOC(=O)N1CCC(NC(=O)Cn2ncc3ccccc32)CC1,CID3236312,,0.0,,0.0,,,,,0.0,0.0,,,,,,0.0,
COC1(OC)N=C(N)C2(C#N)C(c3cccc(Oc4ccccc4)c3)C12C#N,CID3236316,,,,,,,,0.0,,,,,,,,,
O=c1[nH]c(=S)[nH]nc1Cc1ccccc1,CID659040,,,0.0,,,,,,,,,0.0,,,,,
O=C1CCCC2=C1C(c1ccccc1)C1C(=O)c3ccccc3C1=N2,CID2856914,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)Nc2ccc3c(c2)nc(CN2CCCC2)n3C)cc1,CID6484093,,,,,,,,,,,,,,0.0,,,
O=C(NCc1ccco1)C(c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)CCC2,CID649868,0.0,,,,,,,,,0.0,,0.0,0.0,,,,
Cc1ccc2nc(-c3ccccn3)cc(C(=O)N3CCN(c4ncccn4)CC3)c2c1,CID1257106,,,,,,,0.0,,,0.0,,,,,,,
CN(C)c1ccc(/C=N/CCC2(O)CCOC(C)(C)C2)cc1,CID658932,,,,,0.0,,,0.0,,,0.0,,0.0,,,,
Cc1ccc(C(=O)CN2CCC(NC(=O)C3CCCCC3)CC2)cc1,CID649762,,,,,,,,,,,,,,,,,0.0
CN(C)c1ccc(/C=C2\NC(=S)N(Cc3ccccc3)C2=O)cc1,CID1803281,,,,,,0.0,,,,,,,,,,,
Cc1ccc(S(=O)(=O)NCCC(=O)OCn2nnc3ccccc3c2=O)cc1,CID2602617,,,0.0,,,,,0.0,,,,,,,,0.0,
CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCC(c2cccs2)N(C)C)cc1,CID4883576,,,,,,,,,,,,,,,0.0,,
C/C(=N\NC(=O)c1cccs1)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1,CID1008789,,,,,,,,,,,,0.0,,,,,
Cc1cc(C)n(CCNC(=O)CCc2nnc(CCc3ccccc3)o2)n1,CID16192337,,,,,,,,,,,,,,,0.0,,
O=[N+]([O-])c1cc2c(cc1/C=N/c1ccccc1)OCO2,CID691620,,,,,,0.0,,,,,,,,,0.0,,
Cc1csc(SCCn2c(N3CCOCC3)nc3c2c(=O)[nH]c(=O)n3C)n1,CID2986679,,,,,,,,,,,,,,,,,0.0
O=C1C2C(C(=O)N1Cc1cccnc1)C1C=CC2C12CC2,CID2884356,,,,0.0,,,,0.0,,0.0,,,,,0.0,,0.0
Cn1c(=O)c2c([nH]c(=O)n2C)n(C)c1=O,CID79437,,0.0,,0.0,,,,,0.0,,,,,,,,
c1ccc(-c2cnc(-c3cccnc3)o2)cc1,CID879024,,,,,,0.0,,0.0,,,,,,,,0.0,0.0
O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1,CID1424069,,,,,,,,,,,,,,,0.0,,
COc1ccccc1OCC(=O)N/N=C1\SCC(=O)N1Cc1ccccc1,CID1374203,,,,,,0.0,,,,,,,,,,,
Cc1ccccc1-c1nsc(SCC(=O)Nc2ccc3c(c2)OCO3)n1,CID7119398,,,,,,,,,,,,,,,0.0,,
O=C(COc1ccc(Br)cc1)N/N=C1\SCC(=O)N1Cc1ccco1,CID1374208,,,,,,,,,,,,,,0.0,,,
O=C(NC1CCCCCC1)c1ccc(CN2CCOCC2)cc1,CID887036,,,,,,,,,,,,0.0,,,0.0,,
Cc1c(NC(=O)Cn2cnc3c(=O)n(C)c(=O)n(C)c32)cccc1-c1nc2ccccc2o1,CID1017393,,0.0,,,,,0.0,,,,,,,,,,
Cc1nc2cc(NC(=O)N3c4ccccc4CC3C)ccc2o1,CID2942501,0.0,,,0.0,0.0,,,,,,,,,,,0.0,
N=c1n(CCOc2ccccc2)c2ccccc2n1CCN1CCOCC1,CID1097852,0.0,0.0,0.0,0.0,,,0.0,0.0,,,0.0,,,,,,0.0
CC1(C)N=C(c2ccccn2)C(C)(C)N1O,CID871060,,,,,,,,,,0.0,,,,,,,
Cc1ccc(C2CC(c3cccs3)=NN2C(=O)c2ccc(Br)o2)cc1,CID2915215,,,,,,,,,0.0,,,,,,,,
O=C1CSC(=O)N1CC(O)COc1ccc(Cl)cc1,CID2915210,,,,0.0,,,0.0,,,0.0,,,,,,,
Cc1cc(CSc2nc(=O)cc(C)[nH]2)c2ncccc2c1,CID2307606,,,,,,,,,,,,,,,0.0,,
O=S(=O)(c1ccc2ccccc2c1)N1CCN(S(=O)(=O)N2CCOCC2)CC1,CID2235691,,0.0,0.0,0.0,0.0,,0.0,,,,0.0,,0.0,,,,0.0
Cc1cccc(Nc2nc(-c3c(C)nc4ccccn34)cs2)c1,CID704682,,,,,,,,,,,,0.0,,,,,
Cc1cc(=O)oc2cc(OCCCN3C(=O)c4ccccc4C3=O)ccc12,CID1930372,,,,,,,,,,,,,,,0.0,,
CC(/C=C/c1ccccc1)=N\Nc1nc(-c2ccccc2)cs1,CID7114415,,,,,,,,,,,,,,,0.0,,
OCC1(C2=NOC(O)(C(F)(F)F)C2)CCCCC1,CID548915,,,,,,,0.0,,0.0,,,,,,,,0.0
COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cc12,CID3240997,,,,,0.0,,,,,0.0,,,0.0,0.0,,,0.0
Cc1nc2ccccn2c1/C(O)=C1\C(=O)C(=O)N(CCN(C)C)C1c1cccnc1,CID5389830,,,,,,0.0,,,,,,,0.0,,0.0,,
CC1(C)c2ccccc2N2CCC(=O)NC21/C=C/c1ccco1,CID5389837,,0.0,0.0,,,,0.0,,,,,,,,,,
O=C(Cc1cccs1)NCc1cccc(CNC(=O)Cc2cccs2)c1,CID1332104,,,,,,,,,,,,,,0.0,0.0,,
Cc1cc(=O)n2nc(N3CCCC(C(=O)NCc4ccco4)C3)sc2n1,CID3240999,,,,0.0,,,,,,,,,,,,,
O=[N+]([O-])C1=C(Nc2cccc3ccccc23)CS(=O)(=O)C1,CID794280,,,,,,,,,0.0,,,0.0,,,,,
O=C(CSc1ccc2c(c1)OCCO2)NCc1ccco1,CID2997787,,,,,0.0,,0.0,,,,,,0.0,,,,0.0
CC(C)CN(C(=O)COC(=O)Cn1cnc2ccccc2c1=O)C1CCS(=O)(=O)C1,CID2997784,,,,0.0,,,,,,,,,,,,,0.0
CCOC(=O)c1c(C)oc2c1c1c(c3ccccc32)OCN(Cc2cccnc2)C1,CID1523649,,0.0,,,,,,,0.0,,,,0.0,,,,0.0
O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N(Cc1ccco1)Cc1cccs1,CID2540388,,,,,,0.0,,,,,,,,,,,
CCSc1nc(=O)c(CCOc2cccc(C)c2)c(C)[nH]1,CID1503343,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)CCOc1ccccc1OC,CID2418021,,,0.0,,,,,,,,0.0,,,,,,0.0
c1ccc(CN2CCN(c3nc4ccccc4c4ccccc34)CC2)cc1,CID1373123,,,,,,0.0,,,,,,0.0,,,,,
CCn1c(C)nc2cc(S(=O)(=O)N3CCCCC3)ccc21,CID2828846,,,,,,,0.0,0.0,,0.0,,,0.0,,,0.0,0.0
CC1(C)CC(=O)C(CC(=O)NC(=O)NCc2ccccc2)=C(O)C1,CID3000161,0.0,,,,,,0.0,,0.0,,,,0.0,,,,
O=C(Cc1coc2cc3c(cc12)CCC3)OCc1cc(=O)n2c(n1)sc1ccccc12,CID3000165,,,,0.0,,,,,,,0.0,,,,,,
Cc1csc(=N)n1CC(=O)N1CCc2ccccc21,CID3000164,,0.0,,,,,,0.0,,0.0,,,,,,,0.0
CC(Sc1nncn1C)C(=O)Nc1ccccc1-c1ccccc1,CID3000166,0.0,0.0,0.0,,0.0,,0.0,,,,,,,,,0.0,
Cc1cc(C)n2cc(CSc3ncccc3C(=O)O)nc2n1,CID3000168,,0.0,,0.0,,,,,0.0,,,0.0,,,,0.0,0.0
C/N=C1/S/C(=C\c2cccn2-c2cccc(Br)c2)C(=O)N1C,CID1796955,,,,,,,,,0.0,,,,,,,,
O=C(C1CCC(Cn2c(=O)[nH]c3ccccc3c2=O)CC1)N1CCN(c2ccccc2)CC1,CID4907320,0.0,,,,,,,0.0,,,,,,,,,0.0
Cc1ccc2c(c1)c(-c1ccccc1)nc1nncn12,CID1089055,,0.0,,0.0,,,,,,,,,0.0,,,,0.0
O=C(c1cccn2c(=O)c3ccccc3nc12)N1CCN(c2ccccn2)CC1,CID3245821,,,,,,,0.0,,,,,,,,,,
Cc1ccc2nc3ccc(N4CCN(C)CC4)nn3c(=O)c2c1,CID3245822,,0.0,,,,,,0.0,,,,,,,,,
CC1=NN(c2cccc(Cl)c2)C(=O)C12CC(C)=C(C)CS2,CID5027282,,,,,,,,,,,,,,,0.0,,
COc1ccc(/C=N/n2cnn(Cc3ccccc3Cl)c2=S)cc1,CID2323522,,,,,,,,,,,,,,,0.0,,
CC1=CC(C)(C)N2C(=O)C3(N=C(N)NC(Nc4ccccc4)=N3)c3cc(C)cc1c32,CID2983069,,,,,,,,,,,,,,,,0.0,
COc1ccc(C)cc1NC(=O)CN(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CCCC1,CID2559931,,,0.0,,,,,,,,,,,,,,
CC/N=C1\SCC(=O)N1c1ccc(OC)cc1,CID1285995,,0.0,,,0.0,,0.0,,,,,,0.0,,,0.0,0.0
C/C(=N\NC(=O)Cc1cc(=O)[nH][nH]1)c1cccc([N+](=O)[O-])c1,CID950035,,,,,,,,,,,,,,0.0,,,
Cn1c(=O)oc2cc(S(=O)(=O)N3CCN(C(=O)c4ccco4)CC3)ccc21,CID666605,,,,,,,,0.0,,,0.0,,,,,0.0,0.0
C=CCCCCCCCCc1nc(=S)[nH][nH]1,CID1586301,,,,,,,,,,,0.0,,,,0.0,,
Cc1cc(C)n(-c2nc3ccccc3n3nnnc23)n1,CID1509786,,0.0,,0.0,0.0,,,,0.0,,,,,,,,
O=C(COc1ccc2ccccc2c1)NCCNC(=O)COc1ccc2ccccc2c1,CID1787421,,,,,,0.0,,,,,,0.0,,0.0,,,
CN1/C(=C/C(=O)C2CCC2)Sc2ccccc21,CID5409720,,,,0.0,,0.0,,,,,,,,,,,
O=C(CCN1C(=O)c2ccccc2C1=O)N1CCN(c2ccccn2)CC1,CID1232708,,,0.0,,,0.0,,,,,,,,0.0,,,0.0
CC1(C)CC(=O)C(=CNCCC2=CCCCC2)C(=O)C1,CID2246801,,,,0.0,,,,,0.0,0.0,,,,,,,0.0
C=CCSc1nc(N)c(C(=O)Nc2ccccc2OC)cc1C(=O)Nc1ccccc1,CID2197130,,,,,,,,,,,0.0,,,,,,
CCOc1nnc(C)c2c(C)n(-c3cccc(OC)c3)nc12,CID1234295,,,,,,,,,,,,,,0.0,0.0,,
O=C(O)CCCNc1cc(N2CCC3(CC2)OCCO3)c2noc3c2c1C(=O)c1ccccc1-3,CID3239469,,,0.0,,,0.0,,,0.0,,,0.0,,,,,
O=C(COC(=O)CCSc1ccc(Cl)cc1)NCCc1ccccc1,CID2380472,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccccc1)C1=C(N2CCOCC2)/C(=C/c2cccnc2)CC1,CID2327519,0.0,,,0.0,,,,0.0,,0.0,0.0,,,,,,0.0
CC(=O)c1ccc(OC(=O)c2ccc(-n3nc(C)cc3C)cc2)cc1,CID2400111,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1NCC(=O)N/N=C/C(Br)=C/c1ccccc1,CID2247750,,,,,,,,,0.0,,0.0,,,0.0,,,
O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C\C=C\c1ccco1,CID1908237,,,,,,,,,,,,,,0.0,,,
O=c1[nH]n(-c2ccc(F)cc2)c2ncccc12,CID1483592,,,,,,0.0,,,,,,,,,,,
COC(=O)/C=c1\sc2n(c1=O)C(C)=CC(C)(C)N=2,CID663766,,,,0.0,,,,0.0,,,,,,,,,
CCOC(=O)CC1=CC(=O)Nc2ccccc2N1,CID663767,,,,0.0,,,0.0,,,,,0.0,0.0,,,0.0,
CCOC(=O)c1ccc(COC(=O)c2cc3ccccc3oc2=O)o1,CID952079,,,0.0,,,,,0.0,,,,,,,,,
CN1C(=O)N(C)C(=O)C(CCc2ccncc2)(Cc2ccc3c(c2)OCO3)C1=O,CID2292764,,,0.0,,,,0.0,,,,,0.0,0.0,,,,
CS(=O)(=O)N(CC(=O)N1CCCCCC1)Cc1ccc(Cl)cc1,CID2968198,,,,,,,,,,0.0,0.0,,,,,,
O=C(O)C1CCN(C(=O)COc2ccc3c4c(c(=O)oc3c2)CCC4)CC1,CID665724,,,0.0,,,0.0,,,,,,,0.0,,0.0,,
COc1ccc(C2C(C#N)=C(N)N(c3sc4c(c3C#N)CCCC4)C3=C2C(=O)CC(C)(C)C3)cc1OC,CID3390303,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C(=O)Nc2nnc(-c3ccncc3)s2)o1,CID1245709,,,,,,,,,,0.0,,,0.0,,,0.0,
O=C(NCCN1C(=O)C2C3C=CC(C3)C2C1=O)NCc1ccccc1,CID5309856,,,0.0,,,,,,,,,,0.0,,,,
CCOC(=O)c1c(NC(=O)CSc2nnnn2-c2ccc3c(c2)OCCO3)sc(C)c1C,CID648320,,,0.0,,0.0,,0.0,,,,0.0,,0.0,,,0.0,
O=C(Cn1c(C(=O)NCC2CCCO2)cc2sccc21)c1ccccc1,CID648328,0.0,,0.0,,0.0,,,,,0.0,,,,,,,
CC(=O)C1=C(c2ccccc2)NC(=O)NC1c1ccccc1OCC(=O)Nc1ccccc1,CID2943548,,,,,,0.0,,,,,,,,,,,
CCN1C(=O)c2cccc3c(NC(=O)c4ccc(S(=O)(=O)N5CCOCC5)cc4)ccc1c23,CID1355640,,,,,0.0,,,0.0,,,0.0,,,,,,0.0
O=C(NCCCN1CCCC1=O)c1ccc2c(c1)ncn2C1CCCCC1,CID4107899,0.0,,,,,,,0.0,,,,,,,,,
O=C(Nc1nccs1)c1ccc(NC(=O)C2CC=CCC2C(=O)O)cc1,CID2943543,,,,,,,,,,,,,,,0.0,,
Cc1ccc2c(c1)c(C)c(C)n2CC(O)Cn1nnc2ccccc21,CID650830,,0.0,,,,0.0,,,,,,0.0,,,0.0,,0.0
O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)NC1CCCC1,CID650832,0.0,,,,0.0,,,,0.0,,,,,,,,0.0
NC(=O)c1cc(N2C(=O)C3CC=CCC3C2=O)ccc1N1CCCCC1,CID2907394,,,0.0,,,,,,,,,,0.0,,,,
O=C(c1ccc(Br)o1)N1CCN(c2ccccn2)CC1,CID848259,,,,,,,0.0,,0.0,,,0.0,,0.0,0.0,0.0,0.0
O=C(NC1CCCC1)c1ccc2nc[nH]c2c1,CID650837,,0.0,,,,,0.0,,,,,,,0.0,,0.0,
CN1c2ccccc2C(C)(C)C12CC(c1ccc(Cl)c(S(=O)(=O)N3CCCC3)c1)=NO2,CID3575040,,,,,,,,,,,,,,,0.0,,
Cc1ccc(-n2cc(S(=O)(=O)c3ccc(C)cc3)[nH]c2=O)cc1,CID1482649,,,,,,,,,,,,,,0.0,,,
O=C(COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1nc(-c2ccccc2)cs1,CID2404140,,,,,,,,,,,0.0,,,,,,
N=c1c2c(-c3ccccc3)c(-c3ccccc3)n(Cc3ccco3)c2ncn1Cc1ccco1,CID1315075,0.0,,,,,,,,,,,,,,,0.0,0.0
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3ccncc3)CC2)cc1,CID1341058,,,,0.0,,,,0.0,,0.0,0.0,,,,,0.0,
CC(C)N(C(=O)N1CCC(c2nc(-c3ccncc3)no2)CC1)C(C)C,CID654334,0.0,0.0,0.0,,,,,,,,,0.0,,,0.0,,
O=C1C2(c3ccccc3)CN3CN(C2)CC1(c1ccccc1)C3,CID519632,,,,,,,,,,0.0,,0.0,,,,,
COC1=C/C(=C\NNC(=O)CSc2nnc(CCCc3ccc(OC)c(C)c3)o2)C=CC1=O,CID5429143,,,,,,0.0,,,,,,,,,,,
CN1c2ccccc2C(C)(C)C12CC(CCl)=NO2,CID4395195,,,,,,,,,,,,0.0,,,,,
O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1ccc(N2CCOCC2)c(Cl)c1,CID3318597,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)n(CNc2nc(C(F)(F)F)cs2)n1,CID3244409,0.0,,,,0.0,,,,,,,,,0.0,,,0.0
CCCc1cc(N2CCCC(C(=O)NCC)C2)n2ncnc2n1,CID649450,,,,,,,,,0.0,,,,0.0,,,,
O=C(c1cnn2c(C(F)(F)F)cc(-c3ccc4c(c3)OCO4)nc12)N1CCCC1,CID649451,0.0,,,,0.0,,,,,,,,,,,,0.0
CSCCC(NC(=O)C1CC1)c1nc2ccccc2[nH]1,CID2999666,,0.0,,0.0,,,,,,,,,,,,,
Cn1c(=O)n(C/C=C/c2ccccc2)c(=O)c2c1nc1n2CCCN1Cc1ccccc1,CID5390072,,,,,,0.0,0.0,,,,0.0,,,,,,
CC(OC(=O)c1nn(C)c(=O)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2,CID2999663,,,,,,0.0,,0.0,0.0,,,,0.0,,,,
OC(CNCCc1ccc(Cl)cc1)COCc1ccco1,CID2999661,,,,,,,,,,,0.0,,,,,0.0,0.0
CN1C(=O)/C(=C\N2CCc3ccccc32)C(=O)NC1=S,CID2190942,,,,,,,,,,,,,,,0.0,,
Cn1c(=O)cc(N2CCc3ccccc32)[nH]c1=O,CID5310143,,,0.0,,,,,,,,,,,,,,
O=C(NCC1(c2ccccc2)CCCC1)C1(c2ccccc2)CCCC1,CID1727038,,,,,,,,,,0.0,,,,,,,
CN1CCN(CC(=O)Nc2sc3c(c2C#N)CCC(C(C)(C)C)C3)CC1,CID2976035,,,,0.0,,,,,,,,,,,,0.0,
CC(C(=O)N1CCCCC1)n1sc2ccccc2c1=O,CID3239532,,0.0,,,,,,,,,,,,,,,0.0
Cc1cc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)no1,CID934489,,,,,,,,,,,,,,,0.0,,
CCOC(=O)C1CCCN(C(=O)c2sc3nc(C)nc(N4CCOCC4)c3c2C)C1,CID3239536,,,,,,0.0,,,,,,,,,,,
CS(=O)(=O)N(CC(=O)N1CCCC1)c1ccc2c(c1)OCCO2,CID895245,,,,,,,,,,,0.0,,,,,,
CCCNC(=O)Cn1c2ccccc2c2nc(=O)cc(C)n21,CID3249106,,,,,,0.0,,,,,,,,,,,
O=C(CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)NC(=O)NCc1ccco1,CID2698138,,,,,0.0,,,0.0,,,0.0,,,,,,0.0
O=C(c1cc2ccccc2oc1=O)N1CCN(C(=O)C2CCCO2)CC1,CID2971396,,,0.0,,,,,,,,0.0,,0.0,,,,
O=C(C1=C(O)C(=O)N(CCc2ccccc2)C1c1cccnc1)c1ccco1,CID646986,,,,,,0.0,,,0.0,0.0,,0.0,,,0.0,,
COc1ccc(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1,CID646983,,,,,,,,0.0,,,,,,,,0.0,0.0
c1ccc(-c2nc3ccccc3nc2N2CCOCC2)cc1,CID646980,0.0,,0.0,,,,,,,,,,,,0.0,,
CC1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCN2CCOCC2)CC1,CID646988,,0.0,,,,,,,,,,,,,,,
O=C(c1ccco1)N1CCN(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)CC1,CID2941783,0.0,,,,,,,,,0.0,,0.0,,,,0.0,0.0
CCn1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)n1,CID1008238,,0.0,0.0,,,0.0,,,,,,,,0.0,,0.0,0.0
Cc1noc(C)c1CSCC(=O)OCC(=O)NC1CCCCC1,CID2563742,,,,,,,,,,,0.0,,,0.0,,0.0,
CN(C)c1ccc(NC(=O)c2sc(SCC(=O)Nc3nccs3)nc2N)cc1,CID659537,,,,,0.0,,,,,,,,,,,,
CC(=O)c1c(NCc2ccccc2)nc(=O)n(-c2ccccc2)c1C,CID747912,0.0,0.0,0.0,,,,,,0.0,0.0,0.0,,0.0,,,,
Cc1cc(NCCN(C)C)n2nc(-c3cccs3)cc2n1,CID650010,,0.0,,,,,,,,,,,,,,,
CN1/C(=C\C(=O)Nc2cccnc2)c2ccccc2CC1(C)C,CID1553490,,,,,,,0.0,,,,,,,,,0.0,
C/C(Cc1ccccc1)=N\NC(=O)CNC(=O)c1ccccc1Br,CID603176,,,,,,,,,,,,,,,0.0,,
COc1cc(C(=O)NCc2ccc(-c3nc4ccccc4o3)cc2)cc(OC)c1OC,CID2237509,,,,,,,0.0,,0.0,,,0.0,0.0,,,,
Cc1ccc(-c2[nH]nc3c2C(c2ccc(OC(=O)N4CCOCC4)cc2)C(C#N)=C(N)O3)cc1,CID3238248,,,0.0,,,,,,,,,0.0,,,,0.0,
O=C(CCNS(=O)(=O)c1cccc2nsnc12)N1CC(=O)N(CCc2ccccc2)C(=O)C1,CID3238245,,0.0,,,,,,,,,,,,,,0.0,
COC(=O)c1cc2oc3ccccc3c2n1CC(=O)Nc1ccccc1OC,CID3238241,,,0.0,,,,,,0.0,0.0,0.0,,0.0,,,0.0,0.0
COc1ccc(-n2nnc3c(SCC(=O)OCc4ccccc4)ncnc32)cc1,CID3238243,0.0,0.0,,,0.0,,,,,,0.0,,,,,0.0,
Cc1ccc(C(=O)Nc2ncc3c(n2)-c2ccccc2OC3)cc1,CID3270154,,,,,,,,,,,,,,,0.0,,
Cc1occc1C(=O)Nc1cccc(C(=O)NCc2ccccc2)c1,CID1247372,0.0,,,0.0,,,,0.0,0.0,,,0.0,,,0.0,,
Nc1cc(=O)nc(N2CCN(c3ccccc3)CC2)[nH]1,CID72825,,,,,,,,,,,,,,,0.0,,
O=C(CSc1nnc(-c2cccnc2)n1C1CCCCC1)NC1CCCC1,CID653543,0.0,,,,0.0,,,,,,0.0,,,,,,
CCOC(=O)c1sc2nc(N3CCOCC3)c3c(c2c1N)CCN(Cc1ccccc1)C3,CID1387000,,,,,,0.0,,,,,,0.0,,,,,
O=C1Nc2ccccc2/C1=C/c1cccnc1,CID5398228,,,,,,,,,,,,,,0.0,,,
COc1ccc(CC(=O)Nc2ccc3nc(SC)sc3c2)cc1OC,CID2102610,,,,,,,,,,,,,,0.0,,,
Cc1ccc2nc(Cl)c(/C=N/NC(=O)c3ccccc3O)cc2c1,CID1828765,,,,,,,,,,,,,,,0.0,,
Cc1ccc(-c2csc3ncnc(Sc4nnc(CN5CCCCCC5=O)o4)c23)cc1,CID2538553,,,,0.0,,,,,,,0.0,,,,,,0.0
O=C(Cc1ccc(-c2ccccc2)cc1)OCC(=O)N1CCCC1=O,CID2554029,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccccc1NC(=O)CN(CCc1ccccc1)S(C)(=O)=O,CID2203052,,,0.0,,,,,,0.0,,,,,,,0.0,
c1ccc2[nH]c(SCc3ccc(-c4nnco4)cc3)nc2c1,CID2408766,0.0,0.0,0.0,0.0,0.0,0.0,0.0,,,,0.0,,,,,0.0,
CCOC(=O)C1=NN(C(=O)Nc2ccc(OC)cc2)C2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)C12,CID3797862,,,,,,,,,,,,0.0,,,,,
Clc1ccc(-c2nnc(SCc3nc(-c4ccccc4)no3)o2)cc1,CID1265263,0.0,0.0,0.0,,0.0,,,,,,0.0,,0.0,,,,
CCN1CC(CN(C)Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1=O,CID16191967,,,,,,,,,,,,,,0.0,,,
CC(O)CNc1nc2ccccc2n1CC(=O)NC12CC3CC(CC(C3)C1)C2,CID3982938,,,,,,,,,,,,,,,0.0,,
CC(NC(=O)C1CCCC1)c1ccc2c(c1)OCCO2,CID2918405,,,,,,,,,,0.0,,,,,,,
O=C1NC(=S)NC(=O)C1=NNc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1,CID5629536,,,,,,,,,,,,,,0.0,,,
O=C(NCC1CCCO1)c1cccc(NC(=O)c2ccco2)c1,CID2966112,,,,0.0,,,0.0,,0.0,,,,,,,,
CCOc1ccc(NC(=O)COC(=O)Cn2cnnn2)cc1OCC,CID2571477,,0.0,,0.0,,,,0.0,,,,0.0,,,,,
c1ccc(-c2[nH]ncc2-n2cncn2)cc1,CID2764812,,,,,,,,,,,,,,,0.0,,
CCC(=O)Nc1ccc(-c2nnc(SCc3ccc(C(=O)Nc4nccs4)cc3)n2CC)cc1,CID9541173,,,,,,,,,,,,,,0.0,0.0,,
O=C(/C=C/c1cccs1)Nc1cccc(NC(=O)/C=C/c2cccs2)n1,CID1028188,,,,,,,,,,,,,,,0.0,,
CCN(CC)c1nc(=S)nc(NC(C)(C)C)[nH]1,CID898984,,,,,,,,,,,,,,0.0,,,
N#C/N=C1\CCCCCN1CC(N)=O,CID793873,,0.0,,,,,,,,,,0.0,,,,,
Cc1onc(-c2ccccc2)c1C(=O)N/N=C/c1ccc([N+](=O)[O-])s1,CID1224709,,,,,,,,,,,,,,,0.0,,
O=C(c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)N1CCOCC1,CID2924697,,,,,,,,,,,,,,0.0,,,
Cc1cc(Cl)c(S(=O)(=O)NCC2CCCO2)cc1OCC(=O)NC1CCCCC1,CID2953737,,,,,,,,,0.0,,,0.0,,,,,
CCOC(=O)N1CCC(n2c(SCC(=O)OCc3ccccc3)nc3ccsc3c2=O)CC1,CID9550592,,,,,,0.0,,,,,,,,,,,
Cc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccccn2)n[nH]1,CID3236297,,0.0,0.0,,,0.0,,,,,,,,,,0.0,0.0
CC1=C(C(=O)Nc2ccccc2)C(c2ccc(C)o2)n2c(s/c(=C\c3ccco3)c2=O)=N1,CID659947,0.0,,,0.0,0.0,,,0.0,,,,0.0,,,,,0.0
Cc1ccccc1-c1nc(CS(=O)CC(=O)NCCCN(C)c2ccccc2)c(C)o1,CID3237744,,0.0,0.0,,0.0,,0.0,,,,,,,,,,
Cc1nc2c(C)cccn2c1/C(O)=C1\C(=O)C(=O)N(CCN(C)C)C1c1ccncc1,CID5389753,,,,0.0,,,,,,,,,,,,,
O=C(OCc1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)N2CCCC2)cc1,CID1304906,,,,,,,,,,0.0,,,,,0.0,,
O=C(Nc1ccccc1)N(C1=NCCCCS1)c1cccc2ccccc12,CID1097795,,,,,,0.0,,,0.0,,,,,,,,
O=C(Nc1cccc2ccccc12)c1nn(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-],CID2870864,,,,,,,,,,,,0.0,,,,,
O=C(Nc1ccc(OC(=O)c2ccco2)cc1)c1ccco1,CID565233,,,,0.0,,,0.0,0.0,,,,,,,,,
O=C1C=CC([N+](=O)[O-])=C/C1=C1\NC(c2ccccc2)=C(c2cccs2)N1,CID5348934,,,,,,0.0,,,,,,,,,,,
Fc1ccc(OCc2nnc(SCCN3CCOCC3)o2)cc1,CID862318,,,,,,,,,,0.0,,,,0.0,,,
CCCn1c(N)c(N(C)C)c(=O)n(CC(=O)Nc2ccc(OC(F)(F)F)cc2)c1=O,CID2117184,0.0,,,,,,,,,,,,,,,,
CCOc1ccc(N/N=C2\C(=O)Nn3c2nc(C)cc3=O)cc1,CID7309410,,,,,,,,,,,,,,0.0,,,
O=C(CCSc1ccccc1)NCCSc1ccccn1,CID2059722,,0.0,,,0.0,0.0,,,,,,0.0,,0.0,,,
O=C(Cn1c(=O)oc2ccccc21)Nc1nc(-c2ccccc2)cs1,CID2059723,,,,,,,,,,,,,,0.0,,,
CC1(C)OC(=O)C(=CNc2ncccn2)C(=O)O1,CID2819742,,,0.0,,,,,,0.0,,,,,,,,
Cc1nnc(-c2cnn(-c3ccccc3)c2N)n1Cc1ccccc1,CID1472680,,,,,,0.0,,,,,,,,,,,
Cc1nc(CCNC(=O)CC2C(=O)NCCN2Cc2ccoc2)nc2c1CCCC2,CID16191574,,,,,,,,,,,,,,0.0,,,
O=C(c1ccco1)N1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1,CID645420,,,,,,,,0.0,,,,,,,,,0.0
CC(C)(C)n1nnnc1C(c1cccc(C#N)c1)N1CCC(Cc2ccccc2)CC1,CID645425,,,,0.0,,,,,,,,,,,,,
CC(c1ccc(F)cc1)n1cc(C(=O)NCc2ccc3c(c2)OCO3)nn1,CID645428,,,,,,0.0,,,,,,0.0,0.0,,,,
O=c1c2c3c(sc2n2c(=S)[nH]nc2n1Cc1ccccc1)CN(Cc1ccccc1)CC3,CID1042941,,,,,,,,,,0.0,,0.0,,,,,
c1ccc(CN2CCC(N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)cc1,CID1122592,0.0,,,,,,,,,,,,0.0,,,,
O=C(NC1(C(F)(F)F)Oc2ccccc2O1)N1CCCC1,CID713254,,,,,,,0.0,,0.0,,,,,,,,
Cc1nc2cc(NC(=O)N(C)c3ccc4ccccc4c3)ccc2o1,CID893610,0.0,,0.0,,0.0,,,,,,0.0,0.0,,,,,0.0
Cc1cnc(C(=O)OCc2ccc(COC(=O)c3cnc(C)cn3)cc2)cn1,CID2458017,,,,,,,,,,,,,,,0.0,,
COc1cc(Cl)c(C)cc1NC(=O)C1CCCN1C(=O)c1cccs1,CID2559010,,,,,,,,,,,,,,0.0,,,
O=C(NC1CC1)C1CCN(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)CC1,CID16188204,,,,,,,,,,,,,,0.0,,,
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCOCC1)n2CCSc1nc2ccccc2[nH]1,CID3793563,,,,,,,,,,0.0,0.0,,,,0.0,,
Cc1ccc(NC(=O)CC2SC3=NCCCN3C2=O)c(C)c1,CID2981149,,0.0,,,0.0,,0.0,,,0.0,,,,,,0.0,
Cc1cc(N2C(=O)CC(N3CCN(C(c4ccccc4)c4ccccc4)CC3)C2=O)no1,CID2978384,,,0.0,,,,0.0,,,,,,0.0,,,,
CCCCn1c(N)c(N(CC)C(=O)c2cc(OC)cc(OC)c2)c(=O)[nH]c1=O,CID2448558,,,,,,,,,,,,,,0.0,,,
CCCCS(=O)(=O)NC1=NCN(CCOC(=O)c2ccccc2)CN1,CID4997326,,0.0,,0.0,,,0.0,,,,,,,,,0.0,
O=C(NNC1=NCCCCC1)c1ccccc1,CID1478275,,,,,,0.0,,,,,,0.0,,,0.0,,
COCCNC(=O)CN(C(=O)CCC(=O)Nc1nccs1)c1ccccc1OC,CID649228,,,,0.0,,,,0.0,,,,,,,,0.0,0.0
CC1CCN(C(=O)C2=C/C(=C3/C=CC=CC3=O)ON2)CC1,CID6324557,,,0.0,,,,,,,,,,,,,,
O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)NC(=O)NC1CCCCC1,CID2087561,,,,,,,,,,,,0.0,,,,,
Cc1ccc2c(c1)=NC(=O)/C(=C1/N=C(C3CCCCC3)ON1)C=2,CID6324553,,0.0,,,,,,0.0,,,,,0.0,,,,
Oc1cc2c(cc1CN1CCN(c3ccccc3)CC1)CCC2,CID2092624,,,,,,,0.0,0.0,,,,,,,,,
CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cc4ccccc4o3)cs2)cc1,CID2322167,,,,,,,,,,,,,,0.0,,,
O=S(=O)(c1cccc(-n2cnnn2)c1)N1CCOCC1,CID2315225,,0.0,,,,,,,,,0.0,,,0.0,,,
CC(C)=C1SC(N2CCN(Cc3ccccc3)CC2)=NC1=O,CID885464,,,,0.0,0.0,,0.0,,,,0.0,,,,,0.0,
O=[N+]([O-])c1ccc(N2CCN(CCO)CC2)cc1Sc1ccccn1,CID2942164,,,,,,,,,,,,,,,0.0,,
O=C1c2ccccc2C(=O)N1CN(C(=O)COc1ccccc1)c1ccccc1,CID988854,,,,,,0.0,,,,,,,,0.0,,,
CC1Cc2ccccc2N1C(=O)c1cnsn1,CID2950710,,0.0,,0.0,,,,,,0.0,,0.0,,,,,0.0
Cc1ccc(C2C(C#N)=C(N)Oc3nc(-c4ccccc4)[nH]c32)o1,CID3242301,0.0,,,,,,,,0.0,,0.0,,0.0,,,,
O=c1c2[nH]c3ccccc3c2ncn1Cc1cccnc1,CID658596,,0.0,0.0,0.0,,,,,,,,0.0,0.0,,0.0,,
Cc1sc2ncnc(N3CCN(c4ncccn4)CC3)c2c1C,CID711090,,0.0,,,0.0,,,,,,,,,,,,
Cc1nc2cncc(Br)c2n1C,CID660774,,,,,,,,,0.0,,,,,,,0.0,0.0
C=CCNc1nc(N)c(C(=O)c2ccc3c(c2)OCO3)s1,CID660775,,0.0,0.0,0.0,0.0,0.0,0.0,,,,,,,,,,
CCOC(=O)C1C(=O)CC(C)(O)C(C(=O)OCC)C1/C=C/c1ccccc1,CID5310652,,,0.0,,,,,,,,,,,,,,
O=C(NCc1cccnc1)c1cccnc1-c1nc2ccccc2s1,CID1252847,,,,,,,,,,,0.0,,,,,,
Cc1cc(C)nc(-n2nc(C)c(Sc3ccc(F)cc3)c2N)n1,CID2321431,0.0,0.0,0.0,,,,,0.0,,0.0,0.0,,,,,0.0,
CCc1nc(SCC(=O)c2ccc3c(c2)OCCO3)c2ccccc2n1,CID3192187,,,,,,,,,,,,,,0.0,,,
c1cncc(-c2nnc3sc(-c4ccco4)nn23)c1,CID662730,,0.0,,0.0,0.0,,0.0,,,,,0.0,,,,0.0,0.0
CC1(C)CC(=O)C=C(NCCc2ccc(S(N)(=O)=O)cc2)C1,CID760279,,,0.0,,0.0,,,,,0.0,,,,,,,
O=C1Nc2ccccc2C(=O)/C1=C(\O)NC1CCCCCCC1,CID5409111,,,0.0,,,,,0.0,,,,,,,,,
O=C1Nc2ccccc2C(=O)/C1=C(\O)NC1CCCCCC1,CID5409110,,,,,,,,0.0,,,,,,,,,
Cc1nc2cc(N3CCN(C)CC3)c(NC(=O)Cc3ccccc3)cc2c(=O)n1Cc1ccccc1,CID654035,,,0.0,,,,,,,,,,,,,,
COc1ccccc1CNC(=O)c1cc2sccc2n1C,CID653958,0.0,,,,0.0,,0.0,,,,,,,,,,0.0
O=C(COc1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1)NCCc1ccccc1,CID1365195,,,,,,,,,,,,,,0.0,,,
CCCCn1c(SCC(=O)Nc2nccs2)nc2ccccc2c1=O,CID3173042,,,,,,0.0,,,,,,,,,,,
CCCc1[nH]nc2c1C(c1ccc(OC)c(CSC3=NCCS3)c1)C(C#N)=C(N)O2,CID2951445,,,,0.0,,,,,0.0,,,0.0,,,,0.0,
Cc1cc(C)nc(NCC(O)COc2ccccc2C)n1,CID653050,,0.0,,,,,,0.0,,,,,0.0,,,,
COC(=O)c1ccc(COC(=O)CCC(=O)c2cccs2)cc1,CID2351242,,,,,,,,,,,,,,,0.0,,
COc1ccc(N2C(=O)C3ON(C4SC(=S)N(C)C4(C)C)C(c4ccc([N+](=O)[O-])cc4)C3C2=O)cc1,CID3979486,,,,,,,,,,,,0.0,,,,,
COc1ccc2ccccc2c1C1NC(=O)NC(C)=C1C(=O)Nc1cc(Cl)ccc1C,CID2887088,,,,,,0.0,,,,,,,,,,,
CCOC(=O)N1CCN(C(=O)CCc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)CC1,CID2957807,,,0.0,,0.0,,0.0,,,,,,,,,,
O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(S(=O)(=O)N2CCCCC2)cc1,CID2660503,,,1.0,,0.0,,,,,,,,,,,,0.0
Cc1c(Cl)cccc1-c1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)o1,CID2892655,,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccc(N2CCOCC2)cc1)NC1CCCCC1,CID800971,,,0.0,,,0.0,,,,,,0.0,,,,,
CC(c1nnnn1C1CCCCC1)N(Cc1ccccc1)Cc1cccnc1,CID652605,,,,,,,0.0,,,,,,,,,,0.0
c1ccc(-c2nc(CSc3nnc(-c4cccs4)o3)cs2)cc1,CID2085549,,,,,0.0,,0.0,,0.0,,,,0.0,0.0,,,
O=C(CN1C(=O)CCC1=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1,CID2085548,,,,,,,,,,0.0,,0.0,,,,,
Cc1cc(NC(=O)c2ccccc2-c2ccccc2C(=O)O)no1,CID652609,,,,,,,,,,,,,0.0,0.0,,,
Nc1c(C(=O)Nc2ccccc2)sc2nc3c(c(-c4ccco4)c12)CCCC3,CID1982011,,,,,,,,,,,0.0,,,,,,
Cc1occc1C(=O)Nc1nnc(C2CCCCC2)s1,CID1245882,0.0,0.0,,0.0,0.0,,0.0,,,,0.0,,0.0,,,0.0,0.0
Cc1cc(C)n(-c2nnc3n2N/C(=C2/C=Nc4ccccc42)CS3)n1,CID5771731,,,,,,,0.0,,,,,,0.0,,,,
O=C(CN1CCN(Cc2ccccc2)CC1)NC(=O)NC1CCCCC1,CID2090488,0.0,0.0,0.0,0.0,,,,0.0,0.0,,,,,,,0.0,0.0
CCn1cc(C(=O)Nc2ccc3c(c2)OCCO3)c2cc(OC)c(OC)cc2c1=O,CID5308052,,0.0,,,,,,0.0,,,,,,,,0.0,
O=c1oc2ccccc2c(Nc2cccc3ccccc23)c1[N+](=O)[O-],CID1417110,,,,,,0.0,,,0.0,,,0.0,,,,,
COc1ccc(N2C(=O)CCC(C(=O)c3ccccc3)=C2C)cc1,CID751515,0.0,,,0.0,,,,0.0,0.0,,,,,,0.0,,
c1cncc(-c2noc(C34CC5CC(CC(C5)C3)C4)n2)c1,CID2869389,,0.0,,,,,,,,,0.0,,,,,,0.0
COC(=O)C1=C(CSc2nnnn2C)NC(=O)NC1c1cc(C)ccc1C,CID2982611,,0.0,,0.0,0.0,,,,,,,,,,,0.0,
CCOc1cnc(-c2c(-c3c(Cl)cccc3Cl)noc2C)o1,CID1489647,,,,,,,,,,,,,,,0.0,,
O=C(NCC(=O)N(c1ccc2c(c1)OCO2)C(C(=O)NC1CCCC1)c1ccncc1)c1ccco1,CID647394,,,,,,,0.0,,,,,,,0.0,,,
Cc1ccc2c(c1)nnn2C1CCN(C(=O)c2cccs2)CC1,CID647397,0.0,,,,0.0,0.0,,,,,,,,,,0.0,
Cc1[nH]c2ccc(CNS(=O)(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2c1C,CID647390,,,,,0.0,,,,,,0.0,,,,,,
O=C(NCCc1cn2ccccc2n1)C1CCCCC1,CID4446263,,,,,,,,,,,,,,,,,0.0
COC(=O)c1ccc(CSc2nc(-c3ccccc3)cs2)o1,CID2574284,,,,,,,0.0,,,,,,0.0,0.0,,,
O=C1C=CC(=C2N=CC=C(c3ccc(Cl)cc3Cl)N2)C=C1,CID5524420,,,,,,,,,,,,,,0.0,,,
O=C(Nc1ccc(S(=O)(=O)NC2CCCC2)cc1)c1cnccn1,CID648289,,,0.0,0.0,,,0.0,0.0,,,,,,,,0.0,
Cc1ccc(NC(=O)C2CC=CCC2C(=O)N2CCCCC2)cc1,CID648286,,0.0,0.0,,,,,,,0.0,,,,,,,
Cc1nc2ccc(S(=O)(=O)c3ccc4nc(C)[nH]c4c3)cc2[nH]1,CID831351,,,,,,,,,,,,0.0,,,0.0,,
COc1cccc(CNC2CCCc3ccccc32)c1OC,CID2850800,,,,,,,,,,,,,,0.0,,,
O=C(CSc1nnc(CNc2ccc(Cl)cc2)o1)Nc1nc2ccccc2s1,CID646620,,,,,,,,,0.0,,0.0,,,,,,
Cc1ncsc1C(=O)NCc1ccc(N2CCCC2=O)cc1,CID647572,0.0,0.0,,0.0,0.0,,,,,,0.0,,,,,,
Cc1ccc2cc(C(c3nnnn3C3CCCC3)N(Cc3ccccc3)Cc3ccco3)c(=O)[nH]c2c1,CID647576,,,,,,,,,,,,,,,,0.0,
O=C(NCC1CCCO1)c1cc2c(s1)CS(=O)(=O)C2,CID3242143,,,,,0.0,,,,,0.0,,,0.0,,,,
COC(=O)C1(S(=O)(=O)C2(C(=O)OC)CCCC2)CCCC1,CID2303880,,,0.0,,0.0,,,,0.0,0.0,,0.0,,,,0.0,
Cc1cc(NCCCn2ccnc2)n2ncc(-c3ccc(Cl)cc3)c2n1,CID4886402,,,,,,,,,,,,,,,0.0,,
O=c1[nH]c(CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)nc2sc3c(c12)CCCC3,CID2462108,,,,,,,,,,,,,,0.0,,,
CSCCC(NC(=O)C1CCC(C)CC1)C(=O)NCc1ccco1,CID3242142,,,,,0.0,0.0,,0.0,,,,,,,,,
COC(=O)c1cn(NC(=O)Cn2nc([N+](=O)[O-])c(Br)c2C)c(=O)c2ccccc12,CID5071932,,,,,,,,,,,,,,,0.0,,
Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1C1CC1,CID2301020,,,,,,,,,,,,,,0.0,,,
Cc1cnc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)cn1,CID3478,,,0.0,,,,,,0.0,,,,,,,0.0,
COc1ccc(S(=O)(=O)Nc2cc3c(C(C)=O)c(C)oc3c3ccccc23)cc1,CID1183863,,,,,,,,,,0.0,0.0,,,,,,
O=C(c1ccccc1S(=O)(=O)NCc1ccccc1)N1CCCC1,CID3151923,0.0,,,0.0,0.0,0.0,0.0,,,0.0,,,0.0,,,,
Cc1ccccc1C(=O)NC1CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1,CID3218488,,,,,,,,,,0.0,0.0,0.0,,,,,
O=C(c1ccccc1)N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1,CID1364876,,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2oc3ccccc3c(=O)c2OC(=O)c2ccc(C)cc2)cc1,CID1224027,,,,,,0.0,,,,,,,,,,,
NC(=O)CSC1=NNC(=C2C=CC(=O)C=C2)N1Cc1ccco1,CID5413301,,,0.0,,,,,,,,,,,0.0,,,
O=C(/C=C\c1cccs1)c1cccc([N+](=O)[O-])c1,CID5345317,,,,,,0.0,,,,,,,,,,,
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)c1cccs1,CID2558417,,,,,0.0,,,,,,,,0.0,0.0,,,0.0
CN1CCN(S(=O)C23CC4CC(CC(C4)C2)C3)CC1,CID2853442,,0.0,,,,,,,,,,,0.0,,,,
O=C(NCCn1ccc2ccccc21)c1ccc2c(c1)OCO2,CID5106913,,,,,,,,0.0,,,,,,,,,
Cn1cc(SCC(=O)Nc2ccc3c(c2)OCO3)c2ccccc21,CID4051686,0.0,0.0,0.0,0.0,0.0,0.0,,,,,,,,,,,
Cn1c(SCC(=O)NC2CCCC2)nc2cccnc21,CID645778,,,,0.0,,,0.0,,,0.0,,,,,,0.0,0.0
N/C(=N\OC(=O)CCC1CCCC1)c1cccc([N+](=O)[O-])c1,CID2949456,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)n(-c2ccc(C(=O)C(C#N)c3nc4ccccc4n3C)cc2)n1,CID2997516,,,,,,,,,,0.0,,,,,,,
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)Cc1cn2ccsc2n1,CID2997514,,,,,0.0,,,,,,0.0,,,,,0.0,0.0
CC(=O)c1ccc(OCCCC(=O)OCC(=O)N2CCN(c3ccccc3)CC2)cc1,CID2997513,,,0.0,,0.0,,0.0,0.0,0.0,0.0,,,,,,,0.0
CCN(CC(=O)NC1CCS(=O)(=O)C1)C(=O)COc1ccccc1-c1ccccc1,CID2997518,,,,,0.0,,,,,,,,,,,0.0,
CCOC(=O)c1cc(NC(=O)N2CCCCC2)c(C)nc1C,CID2948509,,,0.0,,0.0,,,,,,,,0.0,,,,
C=CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1sc(N)nc1C,CID2948508,,0.0,,0.0,,,,,0.0,,,0.0,0.0,,,0.0,
CCC(C)(C)n1nnnc1C(c1ccc(C)cc1)N1CCN(Cc2cccnc2)CC1,CID655664,,,,,,,,,,,0.0,,,,,,
Cc1cc(NC(=O)C2CC2)ncc1NC(=O)C12CC3CC(CC(C3)C1)C2,CID655663,,0.0,,,,,0.0,,,,,,0.0,,0.0,,0.0
Cn1c2c(c(=O)n(C)c1=O)CN(Cc1ccco1)CN2,CID672077,,0.0,,0.0,,,0.0,0.0,0.0,,,,,,0.0,,
Cc1cc(C)n(C(=O)COc2cccc3ccccc23)n1,CID667802,,,,,,0.0,,,,,,,,,,,
CCN(CC)CCNC(=O)c1nn(-c2ccc(C)cc2)c(=O)c2c1c1ccccc1n2C,CID3242941,,0.0,,,,,,0.0,,,,,,,,,0.0
O=C(CCS(=O)(=O)c1ccc(Br)s1)NCc1cccs1,CID3242944,,,,,0.0,,,,0.0,,,,,,,,
COC(=O)c1c(N2C(=O)CCC2=O)sc2c1CCCC2,CID5308498,,0.0,,,,,,0.0,,0.0,,,,,,0.0,
CCOC(=O)C1CCN(c2c(N3CCCCCC3)c(=O)c2=O)CC1,CID5308499,,,,,,,,,,,,,0.0,,,,
O=C(NCCC1=CCCCC1)C1CCN(c2nnc(-n3cccc3)s2)CC1,CID5308492,,,,,,,,0.0,,,,,,,,,
O=C(CSc1nc2ccccc2o1)NCc1ccco1,CID731367,0.0,,0.0,0.0,0.0,,0.0,,,,,,,,,,
Cc1cc(C(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)n(-c2ccccc2)n1,CID5308494,0.0,,0.0,,,,,,,,0.0,,,,,,
O=C(Cn1c(C(=O)N2CCN(C3CCCCC3)CC2)cc2sccc21)c1ccccc1,CID650193,0.0,,0.0,,,,,,,,,,,,,,0.0
O=C(NC1CCCCC1)N(Cc1nc(=O)c2ccccc2[nH]1)C1CCCC1,CID650191,0.0,0.0,0.0,,,,,,,,,0.0,0.0,0.0,,,0.0
Nc1cccc(C(=O)OCC(=O)NC2CCCc3ccccc32)c1,CID5003778,,,,,,,,,,,,,,,0.0,,
O=C(NC1CCN(C(=O)NCc2ccccc2)CC1)c1ccco1,CID650195,0.0,,0.0,0.0,,,0.0,,0.0,,0.0,,0.0,,,,
O=C(Nc1ccc(N2CCN(c3ccc(O)cc3)CC2)cc1)Oc1ccccc1,CID1317528,0.0,,,,,,,,,,,0.0,,,,,0.0
Nn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1C1CC1,CID2094549,,,0.0,,,,,,,0.0,0.0,,,,,0.0,
CCCc1cc(C(=O)NC2CCCC2)no1,CID5307778,,0.0,,,,,,,,,,,,,,,
Cc1ccnc(NC2c3ccccc3C(=O)N2Cc2ccccc2Cl)c1,CID5307772,0.0,,,,,,,,,,,,,,,,
O=C(NCc1ccco1)c1cnn2c(-c3ccccc3)cc(-c3ccccc3)nc12,CID1548673,,,,,,0.0,,,,,,,,,,,
CCOC(=O)N1CCC(NC(=O)CCc2c(C)nc3c(c(C)nn3C(C)(C)C)c2C)CC1,CID3238569,0.0,0.0,,0.0,,,,0.0,,,,0.0,,,,,
CCOc1ccc2ccccc2c1/C=N/n1cncn1,CID3238561,,,,,,,,,,,,,,,,0.0,0.0
O=S(=O)(c1ccc(-c2csc(-c3cccnc3)n2)cc1)N1CCCC1,CID1033156,0.0,,,,0.0,,,,,0.0,0.0,,0.0,,,,
O=C1NCCN1C(=O)C12CC3CC(CC(C3)C1)C2,CID3238563,,,,0.0,,,,0.0,,0.0,,0.0,,,,0.0,
O=S(=O)(c1ccccc1)c1ccc(N2CCOCC2)cc1,CID726898,,,,,,,,,,,,,,,0.0,,
CC(C)(C)C1CCc2onc(C(=O)NC3CCCC3)c2C1,CID3238565,0.0,,,,0.0,,,,,,,0.0,,,,,
CCOCCCn1c(=S)[nH]c2cc(C(=O)N3CCOCC3)ccc2c1=O,CID3238566,,,0.0,,,,,,0.0,,,,,,,0.0,0.0
Cc1cc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)ccc1-n1cnnn1,CID654530,,,,,0.0,,0.0,0.0,,,0.0,,,,,0.0,0.0
CC(C)C1=NN(C(=O)c2cccnc2)C(O)(C(F)(F)F)C1,CID3152042,,,,,,,,,,,,0.0,,,,,
S=C1N(c2ccccc2)C(c2ccc(Cl)cc2)N2CCCN12,CID3677272,,,,,,0.0,,,,,,,,,,,
CCOC(=O)C1CCN(c2c(NCCN3CCN(c4ccccc4)CC3)c(=O)c2=O)CC1,CID5309761,,0.0,,,,,,,,,,,,,,,
Cn1c(=O)cc(OCC(=O)NCCCN2CCN(Cc3ccccc3)CC2)c2ccccc21,CID5309760,0.0,,,0.0,,,,0.0,,,,,,,,,
O=C(c1ccc2nc(N3CCOCC3)sc2c1)N1CCN(C(=O)c2ccco2)CC1,CID5309767,,,,,,0.0,,,,0.0,0.0,,0.0,,,,
CC(Sc1ccccc1)C(=O)Nc1ccccc1C(=O)N1CCOCC1,CID2954597,,,,,,,,,,,,0.0,,,,,
CCOc1cc(C2CC(=O)c3c(ccc4ccccc34)N2)ccc1O,CID2869993,,,,,,0.0,,,,,,0.0,,,,,
O=C(NCC(=O)N(c1cccnc1)C(C(=O)NC1CCCCC1)c1cccnc1)c1ccco1,CID644451,,,0.0,,,,,,,0.0,0.0,0.0,,,,,
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3ncc(-c4ccccc4)o3)n2C)c1,CID2570263,,,,0.0,,0.0,,,,,0.0,,,,,,0.0
CN(C)c1nc(N(C)C)n(C(=O)c2cccs2)n1,CID3744368,,,,,,,,,,,,,,,0.0,,
Cc1nonc1C1CCCN1Cc1nc(-c2ccc(F)cc2F)oc1C,CID16190130,,,,,,,,,,,,,,,0.0,,
COc1ccc2[nH]c(C)c(CCN3C(=O)C4C5C=CC(C5)C4C3=O)c2c1,CID4007469,,,,,,0.0,0.0,0.0,,,0.0,,,,,,0.0
Cc1cc(C)c2c3c(sc2n1)C1(CCSCC1)C(C#N)=C(N)O3,CID2961942,,,0.0,0.0,,,,,,,,,,,,,
CCOc1ccc2nc(N3CCCC(C(=O)NCCCN4CCOCC4)C3)sc2c1,CID5307668,,,,,,,0.0,0.0,,,,,,,,,
CC(C)CNS(=O)(=O)c1ccc(CCC(=O)N2CCN(Cc3ccccc3)CC2)cc1,CID2951507,,,,,0.0,,0.0,,,,,,,,,,0.0
c1ccc(-c2noc(-c3ccc4c(c3)OCO4)n2)nc1,CID892017,0.0,,,,,,,,,,,,,,,,
Cn1cc(CC(=O)NCCCN2CCCC2=O)c2ccccc21,CID4459009,,,,,,,,,,,,,,,,0.0,
Cc1cc(C=O)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1,CID2892417,,,,,,,,,,,,,,0.0,,,
Cc1occc1C(=O)NCc1ccccn1,CID896600,,,,,,,,,0.0,0.0,,0.0,,,,,
CC(C)C(c1nnnn1Cc1ccccc1)N1CCc2ccccc2C1,CID650598,,,0.0,,,,,,,,,,,,,,
CN1CCc2c(sc3c2C(=O)NC(c2cn(Cc4ccccc4)c4ccccc24)N3)C1,CID660805,0.0,,,,,,,,,,,,,,,,
COc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(-n3[nH]c(=O)c(C)c3C)n2)cc1,CID660800,,0.0,0.0,0.0,,,0.0,,,,,,,,0.0,,0.0
O=C(c1ccccc1)N1CC(COc2ccccc2)OC(c2ccco2)O1,CID3242195,,,0.0,,,,,0.0,,,,,,,,,
C/C(=C\c1ccc(C)o1)C(=O)c1c(C)cc(C)[nH]c1=O,CID16194144,,,,,,,,,,,,,,0.0,,,
O=C(O)c1ccc(/C=c2\sc3n(c2=O)CCN=3)cc1,CID722420,,,,,,0.0,,,,,,,,,,,
CCOC(=O)C1C(=O)NC(c2ccccc2)=NC1c1ccc(Br)cc1,CID5194709,,,,,,,,,,,,,,0.0,,,
O=CN(CCN(C=O)CN1CCCCC1)CN1CCCCC1,CID2928717,,,,0.0,,0.0,,,,,,,,,,0.0,
Cc1cc(NC(=O)CCC(=O)N(Cc2cccs2)C(C(=O)NC2CCCC2)c2ccccc2)no1,CID3210705,,,,,,,,,0.0,,0.0,,,,,,
COc1cc(/C=C/C(=O)OCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)ccc1OCC#N,CID5876611,,,,,,,,,,,,,,0.0,,,
CC(=O)c1sc(NC(=O)c2ccc(Cn3cc(Br)cn3)o2)nc1C,CID3241226,,,,,,,,,,,,,,,,,0.0
O=C1c2ccccc2-c2onc3ccc(N4CCCCC4)c1c23,CID919878,,,,,,0.0,,,,,,,,,,,
COc1cccc2c1OC1(C)CC2NC(=O)N1c1cccc(C(=O)Nc2ccc3c(c2)OCCO3)c1,CID3241428,,,0.0,,,,,0.0,,,,,,,0.0,,
O=C(Cn1cnc2c(oc3ccccc32)c1=O)NCC1CCCO1,CID3241220,,0.0,,,,,,,,,,,,,,,
CCOC(=O)C1C(=O)NC23CCCC2C1c1ccccc1O3,CID3240134,,,,,,,,0.0,,,,,,,,,0.0
CCOc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c2cccnc12,CID3240135,0.0,0.0,0.0,,0.0,,,,,,,,0.0,,,,0.0
COc1ccc(CCNS(=O)(=O)c2ccc3oc(C(=O)O)c(C)c3c2)cc1OC,CID3240137,,,,,,,,0.0,,,,,0.0,,,0.0,
CCCCN(C)C1=Nc2cccc3cccc1c23,CID2328852,,,,,,0.0,,,,0.0,,,,,,,
O=C(CCl)/N=c1\sccn1Cc1cccc2ccccc12,CID4961625,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC(=S)NCC2CCCO2)cc1C,CID3871799,,,,,,,,,0.0,,,0.0,,,,,
O=C(O)CCN1C(=O)CC2(CCCCC2)C1=O,CID3243311,,,0.0,,,,,,,,,,,,,,
O=C(COC(=O)c1ccncc1)NC(=O)C1CCCCC1,CID2464662,,,,,,,,,,,,,,,0.0,,
O=C1CC(S/C(=N/c2ccccc2)Nc2ccccc2)C(=O)N1c1cccc2ccccc12,CID2833595,,,,,,0.0,,,,,,,,,,,
Cc1cc(C)c(C#N)c(SCC(O)CS(=O)(=O)Cc2ccccc2)n1,CID2942820,,,,,0.0,,,,,0.0,,,,,,,
O=C(Nc1nc(-c2ccncc2)cs1)C1c2ccccc2Oc2ccccc21,CID2127512,,,,,,,,,,,,,,0.0,,,
O=C1CC(N2CCN(c3ccc(F)cc3)CC2)C(=O)N1Cc1cccs1,CID2982519,,,,,,,0.0,,,,,,,,,,0.0
O=c1ccn(C2CCCCC2)c(O)c1Cc1ccc(F)cc1,CID1475030,,,,,,,,,,,,,,0.0,,,
Cc1c(C(=O)Nc2cnccn2)oc2ccccc12,CID1247709,,,0.0,,,,,0.0,0.0,,,0.0,,,,,0.0
CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NC2CCCCC2O)cc1,CID2865441,,,,,,,,,,,,,0.0,,,,
O=C(NCc1ccccc1)C1=NNN/C1=C1/C=CC=CC1=O,CID5368408,,,0.0,,,,,,,,0.0,,,,,,
CCC(C)c1ccc2oc(-c3ccc(NC(=O)Cn4cnc5c(=O)n(C)c(=O)n(C)c54)cc3)nc2c1,CID2954481,,,,,,,,,,,,0.0,,,,,
COc1ccc(C2(C(=O)NC3CCCCC3)CCOCC2)cc1OC,CID787475,,,,,,,,,0.0,,,,,,,,
O=C1C2C(c3ccccc3)C=CC(c3ccccc3)C2C(=O)N1c1ccncc1,CID3105141,,,,,,0.0,,,,,,,,,,,
Cc1sc2nc(CSc3nc4ccccc4s3)[nH]c(=O)c2c1C,CID2086513,,,,,,,,,,,,,,0.0,,,
Cn1nc(CC(=O)NCc2cccc3ccccc23)c2ccccc2c1=O,CID1448431,,,,,,,,,0.0,,0.0,0.0,,,,,
O=C(N/C(=C\c1ccc(-c2ccccc2)o1)C(=O)N1CCOCC1)c1ccccc1,CID1113661,,,,,,,,,,,,,,0.0,,,
c1ccc2[nH]c(-c3nc4ccccc4[nH]3)nc2c1,CID249097,,,,0.0,,,0.0,,,,,,0.0,,,,
COc1cc2c(cc1NC(=O)CCCN1C(=O)CCC1=O)oc1ccccc12,CID2219830,,0.0,0.0,,,,,0.0,,0.0,0.0,,0.0,,0.0,,
COc1ccc(NC(=O)CSc2nc(-c3ccncc3)nn2CC(=O)N2CCCC2)cc1,CID645299,0.0,0.0,,0.0,,,,0.0,,0.0,,,,,,,0.0
COc1ccc(OCCN(C)Cc2ccccc2)cc1,CID803516,,,,,,,,,,,0.0,,,,,0.0,
O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NCCc1ccccc1,CID1193249,,,,,,0.0,,,,,,0.0,,,,,
CCOC(=O)CNC(=O)c1sc2ncnc(N3CCc4ccccc4C3)c2c1C,CID4162445,,,,,,,,,,,,,,,0.0,,
CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1,CID2559196,,,,,,,,,,,,,,,0.0,,
O=S(=O)(Nc1cccc2cn[nH]c12)c1ccc(F)cc1,CID1507303,,,0.0,,,,,,,0.0,,,,,,0.0,0.0
Cn1c(NC(=O)c2ccc3c(c2)OCO3)cc(=O)n(C)c1=O,CID737702,,,,,,0.0,,0.0,0.0,,,,,,,,
CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C/Nc1ccc(S(=O)(=O)N2CCOCC2)cc1,CID5753566,,,,,,,,,,,,,,,0.0,,
Cc1nc(N2CCCCC2)c2sc(=S)n(C)c2n1,CID718473,0.0,0.0,,0.0,0.0,,,,,,,,0.0,,,,
CN1CCN(C(=O)OC2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1,CID5735,,,0.0,,,,0.0,,,,,,,,,,
CC(=O)N1CN(Cc2ccccn2)Cc2c1sc1c2CCCC1,CID1523481,,,,,,,0.0,0.0,,,,0.0,0.0,,,0.0,0.0
O=c1c2ccccc2nc2c3ccccc3c(NCc3ccco3)nn12,CID711110,,,,,,,,,,,,,,,0.0,,
c1ccc(-c2csc3ncn4nnnc4c23)cc1,CID693917,,0.0,0.0,,0.0,,,,,,,,0.0,,,,
O=C(Nc1ccccc1)c1ccc(NCC2CCCO2)c([N+](=O)[O-])c1,CID2946211,,,,,,,,,,,,,,0.0,,,
O=C(c1ncc[nH]1)c1ccco1,CID661320,,,0.0,,,,,,,,,,,,,,
Cn1c(CNc2ccccn2)c(C#N)c2ccccc21,CID661321,,0.0,0.0,,,,,0.0,,,,0.0,,,,0.0,
Cc1cc(C)n(CCn2nc(C)cc2C)n1,CID661322,,0.0,,,,,,,,,,0.0,0.0,,0.0,,
CCOC(=O)c1c(CN2CCN(C)CC2)oc2ccc(O)cc12,CID661323,,,,0.0,0.0,0.0,,,,,,0.0,,,,,
COc1cc(NS(=O)(=O)c2ccc(NC(=O)NC3CCCCC3)cc2)nc(OC)n1,CID1051582,,0.0,,,,,,,0.0,,,,,0.0,,0.0,
CSc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2s1,CID2226223,,,0.0,,0.0,,0.0,,,,,,,,,,
CCCCn1nnnc1NCc1cccnc1,CID1817894,,0.0,,0.0,,,,,,,,0.0,0.0,0.0,,,
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)c3cc(C)n(C4CC4)c3C)o2)c1,CID2547173,,,,0.0,,,,,,,0.0,,0.0,,,,0.0
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1)NC(=O)NCc1ccco1,CID2499918,0.0,,,,,,0.0,,,,0.0,,,,,,0.0
CCOC(=O)c1cnc2sc3c(n2c1=O)CCCC3,CID2108046,,,,,,,,,,,,,0.0,,,,
Cc1ccc(C)c(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)C2c2cccnc2)c1,CID5310751,,0.0,,,,,,,,,,,,,,,
O=C(/C=C\Nc1ccc2c(c1)OCO2)c1ccccn1,CID5310753,,,,,,0.0,,,,,,,,,,,
Cc1cccc(N/C=C2\C(=O)Nc3ccccc32)n1,CID5310757,,,,,,,,0.0,,,,,,,,,
O=C(CN1C(=O)NC2(CCCCCC2)C1=O)NCc1cccs1,CID2490637,,,,,,,,,,,,,,0.0,,,
Cc1nc(-c2ccccc2)sc1-c1nc(-c2ccccc2)ncc1S(=O)(=O)c1ccccc1,CID1477684,,,,,,0.0,,,,,,,,,,,
Clc1ccc(SCCCCn2cncn2)cc1,CID2199885,,,,0.0,0.0,,,,,,0.0,,0.0,,,,0.0
O=C(NC1CCCCC1)c1ccccc1NC(=O)C1CC1,CID833661,,,,,,,,,,,0.0,0.0,,,,,
N#C/C(=C/c1ccc(N2CCOCC2)o1)C(=O)N1CCOCC1,CID839240,,,,,,,,,,,,,,0.0,,,
Cn1c(NC(=O)c2cccnc2)nc2ccccc21,CID653736,,0.0,,0.0,,,,0.0,,,,0.0,,0.0,,,
COc1ccc(/C=C2\OC(=S)N(C)C2=O)cc1,CID1728735,,,,,,,,,0.0,0.0,,,,0.0,,,
O=C(COC(=O)c1cccc(NC(=O)c2ccco2)c1)c1ccc(Br)cc1,CID1216753,0.0,,,,,,,,0.0,,,,,,,,0.0
COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cc2ccccc2o1,CID647113,,,,,,,,,0.0,,,,,,0.0,,
N#CC(C(=O)C1CCCCC1)c1nc2ccccc2[nH]1,CID2999322,,,,,,,,,,,0.0,,0.0,,,0.0,
O=C(CSc1nc2ccccc2o1)c1ccc2c(c1)OCCO2,CID2948077,,,0.0,,,,0.0,,0.0,,,,,,,,
Cc1ccccc1NC(=O)c1nc[nH]c1C(=O)NCc1ccccc1,CID965339,,,0.0,,,,0.0,,,,0.0,,,,,,0.0
C(#Cc1ccccc1)Cn1nnc2ccccc21,CID609250,,,0.0,0.0,,,0.0,0.0,,,,,,,0.0,0.0,
CCCCn1c(=O)[nH]c(=O)c2c1nc(COc1ccc(C#N)cc1)n2CCC,CID2999327,,,0.0,,,,,0.0,,0.0,,,0.0,,,,
O=C(COc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1ccccc1,CID1325000,,,,,,,,,,,,,,0.0,,,
CC1CN=C(NCc2ccncc2)S1,CID2999326,,,,,,,,,,,,,0.0,,,,
Cc1cc(-c2ccccc2)nc2cc(C(=O)Nc3ccc(Cl)cc3)nn12,CID1000289,,,,,,0.0,,,,,,,,,,,
O=C(COc1ccccc1)N1c2ccccc2Sc2ccccc21,CID667799,,,,,,,,,,,,,,0.0,,,
O=C(c1cn(-c2ccccc2)nc1-c1cccs1)N1CCN(c2ccc(F)cc2)CC1,CID2571788,,,,,,0.0,,,,,,,,,,,
Cc1cc(C)c(C(=O)COC(=O)Cn2cnnn2)cc1C,CID2083034,,,,,,,,,,,,,0.0,,0.0,,
N#Cc1c(NC(=O)C2CC2)sc2c1CCCCC2,CID679001,,,,,,,,,,,,,,0.0,,,
O=C(/C=C\Nc1ccccc1NS(=O)(=O)c1ccccc1)c1ccc(F)cc1,CID5345848,,,,,,0.0,,,,,,,,,,,
Cc1c(NC(=O)C2=CNN3C2=NC(c2ccccc2)CC3C(F)(F)F)c(=O)n(-c2ccccc2)n1C,CID5741118,,,,,,,,,0.0,,,,,,,,
N#CC1=C(N)C2=C(N3CCCCC3)CCCC2C1(C#N)C#N,CID652869,,,,0.0,,,,,,0.0,,,,,0.0,0.0,
COc1nc(OC)nc(N2CCC(NC(=O)C(Cc3ccc(C(C)C)cc3)NC(C)=O)CC2)n1,CID652868,,,0.0,0.0,,,,,,0.0,,0.0,,,,,
COc1ccc(-c2ccc(-c3nnc(-c4ccncc4)o3)cc2)cc1,CID652865,0.0,0.0,,,,0.0,0.0,,,,0.0,,,0.0,,,
O=C(NC1CCc2ccccc21)C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1,CID652864,,,,,,,,0.0,,,0.0,,,,,0.0,0.0
O=C(CCCCC(=O)NCc1cccs1)NCc1cccs1,CID2165960,,,0.0,,0.0,,,,,,,,0.0,,,,
CC(=O)Oc1ccccc1C1=NN(C(=O)/C=C/c2ccccc2)C(c2ccccc2)C1,CID5775810,,,,,,,,,,,,,,,0.0,,
Cn1c(=O)c2c(ncn2CC(=O)OCc2ccccc2)n(C)c1=O,CID654088,,,0.0,,,0.0,,,,,,0.0,,,,,
O=C(c1cc2ccccc2oc1=O)N(Cc1ccccc1)Cc1ccc2c(c1)OCO2,CID3221309,,,,,,,,,,,0.0,,,,,,
COC(=O)c1nnn(-c2nc(N3CCCCC3)nc(N3CCCCC3)n2)c1C,CID1521418,,0.0,,,0.0,,,,,,0.0,,,,,,
CCn1c(SCC(=O)c2c[nH]c3ccccc23)nnc1-c1cccs1,CID1255215,0.0,0.0,0.0,,0.0,,,,,0.0,,,0.0,0.0,0.0,,
Cc1ccc2cccc(Oc3cnccn3)c2n1,CID2539875,0.0,0.0,0.0,0.0,,,,,,0.0,,,,,0.0,,
O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCCCCC1,CID1087716,,,,,,,,0.0,,0.0,0.0,,,,,0.0,
CCOC(=O)c1c(NS(=O)(=O)Cc2ccccc2)sc2c1CCCC2,CID1311440,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C)n1-c1ccc(-c2nnco2)cc1,CID2408767,0.0,,,,,0.0,0.0,0.0,,,,0.0,,,0.0,0.0,
c1ccc2sc(SCc3ccc(-c4nnco4)cc3)nc2c1,CID2408764,0.0,0.0,,,0.0,0.0,0.0,,,,0.0,0.0,0.0,,0.0,,
O=S(=O)(c1cccc(-c2nnco2)c1)N1CCCC1,CID2408760,0.0,0.0,0.0,,,,,,,,0.0,,,,,,0.0
COc1cccc(-n2c(SCc3c(C)noc3C)nnc2-c2cccc(S(=O)(=O)N(C)C)c2)c1,CID2401482,,,,0.0,,,,,,,0.0,,,,,,0.0
CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccncc2)C1c1cccnc1,CID5389754,,,,,,,,,,,,,,,,,0.0
Cc1c(O)c(CN2CCCC2)cc2c3c(c(=O)oc12)CCC3,CID5389750,,,,,,0.0,0.0,,,,0.0,,,,,,
COc1ccccc1NC(=S)NNC=C1C=CC(=O)C=C1,CID5971819,,,,,,,,,,,,,,,0.0,,
CCCN(C(=O)CSc1nnc(-c2ccoc2C)n1N)C1CCS(=O)(=O)C1,CID2998065,,,,0.0,0.0,,0.0,,0.0,,,,,,,,0.0
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)no1,CID646589,,,,,,,,,,,0.0,,,,,0.0,0.0
Cn1c(Cn2nnc3ccccc32)nnc1SCC(=O)Nc1ccc2c(c1)OCO2,CID646584,0.0,,,,0.0,,,,,,,,,,,,0.0
CCOC(=O)CSc1n[nH]c(-c2ccco2)n1,CID735685,,,,0.0,,,,,,0.0,,,,,,,
N#Cc1cc(-c2ccccc2)nnc1Sc1ccccc1,CID6404493,,,,,,,,,,0.0,,,,,,,
Cc1ccc(CCNc2ccccc2)c[n+]1[O-],CID687025,,,,0.0,,,,0.0,,,,,,,,0.0,
O=C1c2ccccc2S(=O)(=O)N1CC(O)Cn1c2ccccc2c2ccccc21,CID2855313,,,,,,,,,0.0,0.0,,,,,,,
O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C/NCc1ccc2c(c1)OCO2,CID5554402,,,,,,0.0,,,,,,,,,,,
Cc1cc(C)n2nc(SCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)nc2n1,CID2474913,,,,,,,,,,,0.0,,,,0.0,,
COc1ccc(-c2c3c([nH]c(=S)c2C#N)CCC3)cc1,CID657993,,0.0,,0.0,,,,0.0,,,,,,,,,0.0
COc1ccccc1NC(=O)c1ccc(CS(=O)(=O)c2ccc(C)cc2)cc1,CID1310395,,,,,,,,,,,,,,0.0,,,
Cn1c(=O)c2c(=O)cc(O)n(-c3ccccc3)c2n(C)c1=O,CID736798,,0.0,,,,,,0.0,0.0,,,,,,,,
O=C(Nc1cccnc1)c1cc2cc(Br)ccc2oc1=O,CID1246890,,,,,,,,,,,,,,,0.0,,
NC(=O)C1(N2CCCCC2)CCN(C(=O)CSc2nc3ccccc3[nH]2)CC1,CID1295732,,,,,0.0,,,,,,,,,,,0.0,
Cc1nc2ncnn2c(C)c1CCC(=O)NCc1ccco1,CID3245155,,0.0,,,,,,,,,,,0.0,,,,
O=C1NC(=O)C2C1C(C(=O)c1cccs1)N1C=Cc3ccccc3C21,CID665302,,,,,,,,,0.0,,,,,,,,
O=C1c2sc3nc4ccccc4n3c2C(=O)N1c1ccccc1Cl,CID665303,0.0,0.0,0.0,,,,0.0,,,,,,0.0,,,,0.0
Cc1nc2ccccc2c(=O)n1/N=C1/C(=O)N(C)c2ccccc21,CID337640,,,,,,,,,,,,,,0.0,,,
O=C(CSc1nnc(-c2ccco2)o1)N1c2ccccc2CCc2ccccc21,CID1313816,0.0,,0.0,,0.0,,,0.0,,,,,0.0,,,,0.0
COc1ccc(NC(=O)N2CCC(O)(c3cccnc3)CC2)c(OC)c1,CID648746,,,0.0,,,,,,,,,,0.0,,,,
Cn1c(Cn2cnc3ccccc32)nnc1SCC(=O)CC(=O)Nc1ccccc1,CID648744,0.0,0.0,,0.0,0.0,,,0.0,,0.0,,,0.0,,0.0,0.0,
O=C(CN(C(=O)Cn1nnc(-c2cccs2)n1)c1cnc2ccccc2c1)NCC1CCCO1,CID648742,,,,,0.0,,,,,,,,,,,,0.0
N#CC1=C2SCCN2C(=O)C(C#N)C12CCCCC2,CID396186,,,,0.0,,,,,,,0.0,,,,,,
Cc1cc(OCC(=O)N2CCc3ccccc3C2)c2c(-c3ccccc3)cc(=O)oc2c1,CID2197209,,,,,,,,,,,0.0,,,,,,
CCc1ccc(C2C(C#N)=C(N)C(C#N)(C#N)C3=CCC(C(C)(C)C)CC32)cc1,CID4466047,,,,,,,,,,,0.0,,,0.0,,,
Cn1c(SCC(=O)OC2CCCCC2)nnc1-c1ccc(S(=O)(=O)N2CCCC2)cc1,CID652018,,,0.0,0.0,,,0.0,,,0.0,0.0,,,,,0.0,0.0
O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)NCCC(=O)N1CCC2(CC1)OCCO2,CID3244615,,,,,,,,,,,,,,,,,0.0
COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccncc3)cs2)cc1,CID3244619,,0.0,,,0.0,,0.0,,,,,,,,,0.0,0.0
CCn1cc(C(=O)N2CC=C(c3ccccc3)CC2)c(=O)c2ccc(C)nc21,CID3243979,0.0,,,,0.0,,,,,,,,,,,,
O=C(CCCOc1ccccc1)Nc1ncccn1,CID2163064,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C)c(N2CCN(C(=O)C3CCN(c4nnc(N5CCCC5=O)s4)CC3)CC2)c1,CID3243971,0.0,,,,,,,,,,,,,,,0.0,
O=C1c2cccnc2C(=O)N1Cc1ccc2c(c1)OCO2,CID973349,,,,,,0.0,0.0,,,,,,,,0.0,,
Cc1n[nH]c(C)c1CCc1nc2c3ccccc3nc(SCC(N)=O)n2n1,CID3243974,,0.0,,,0.0,,,,,,0.0,,0.0,,,0.0,
O=C(C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)N1CCc2ccccc21,CID645295,,,,,0.0,,,0.0,,,0.0,,0.0,,,0.0,
O=C(CN1CCOCC1)Nc1ccc(OCc2ccccc2)cc1,CID645290,,,,,,,0.0,,0.0,,,0.0,,,,,
O=C(O)c1[nH]c2ccccc2c1CC(=O)N1CCOCC1,CID3241198,,,,,,0.0,,,,,,,0.0,,,,
CC1=CC(C)C2(CO)COC(c3ccc(O)cc3)C1C2C,CID3110826,,,,,,,,,,,,,,,0.0,,
COc1ccc2cc3cc(C(=O)Nc4ccc5c(c4)OCCO5)oc3nc2c1,CID3241193,,,,,,,,,,,,,,,,0.0,
C(=N/N1CCN(Cc2cccc3ccccc23)CC1)\c1cccnc1,CID873924,,,,,,0.0,,,,,,0.0,,,,,
COc1cc2c(cc1OC)C(c1ccsc1)CC(=O)N2,CID2964919,,,,,0.0,,0.0,0.0,,,,,,,,,
Cc1nn(-c2ccccc2)c2sc(C(=O)NNC(=O)COc3ccccc3)cc12,CID1143072,,,,,,,,,,,,0.0,,,,,
Cc1nn(-c2ccccc2)c2sc(C(=O)NNC(=O)COc3cccc4ccccc34)cc12,CID1143071,,,,,,0.0,,,,,,,,,,,
O=C(CSc1nc(Nc2ccccc2)nc(N2CCOCC2)n1)Nc1ccc2c(c1)OCCO2,CID2228394,,,0.0,,,,,,,,0.0,,,,,,0.0
O=C1NCCN1C(=O)N(c1ccccc1)c1ccccc1,CID658900,0.0,,,,,0.0,,,,,0.0,0.0,0.0,,,,
COc1ccc(CC(=O)N2CCN=C2SCc2ccc([N+](=O)[O-])cc2)cc1,CID5101624,,,,,,,,,,,,,,,0.0,,
S=C(NCCOc1cccc2ccccc12)Nc1cccc2ccccc12,CID2225986,,,,,,0.0,,,,,,,,,,,
CC(=O)NC1CC2CCCC(C1)N2CC(=O)Nc1ccccc1,CID655542,,0.0,,,,,,,,,,,,,,,
O=C(CN(C(=O)CNC(=O)c1ccco1)c1ccc2c(c1)OCO2)NC1CCCCC1,CID655541,,0.0,,,,0.0,,,,,0.0,,,,,0.0,
CC1CCCC(C)N1C(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21,CID655547,,,0.0,,0.0,,,0.0,,,,0.0,,,,,
CN1/C(=N\O)c2cccc3cccc1c23,CID655545,,,,,,0.0,0.0,,,,,,,,,,
O=c1nc2n(-c3ccccc3)[nH]c(-c3cccc(F)c3)c-2cc1CNCCN1CCOCC1,CID645870,,0.0,0.0,,,,,,,,,,,,,,
O=C(CN1C(=O)CSc2ccccc21)Nc1ccc2c(c1)OCCO2,CID645878,,,,,0.0,,0.0,,,,,,,,,0.0,0.0
N#Cc1c(NC(=O)CSc2ncnc3sccc23)oc(-c2ccco2)c1-c1ccco1,CID2421674,,,,,,0.0,,,,,0.0,,0.0,,,,0.0
CCn1c(SCC(=O)Nc2ccc3c(c2)c2ccccc2n3CC)nnc1-c1cnccn1,CID2218748,,,0.0,,0.0,,0.0,,,,,,,,,,
O=NC1=C2NON=C2CC2(C1)OCCO2,CID5375380,,,0.0,,,,0.0,,,,,,,,,,
O=C(c1ccc(CNc2c(N3CCCC3)c(=O)c2=O)cc1)N1CCc2ccccc2C1,CID5308353,0.0,,,,,,,,,,,,,,,0.0,
CC1CCN(S(=O)(=O)c2ccc3[nH]cc(C(=O)NCCN4CCOCC4)c(=O)c3c2)CC1,CID3235779,,,,,0.0,,,,,,,,0.0,,,,
COc1ccc(CCNC(=O)c2ccc(CNc3c(N4CCOCC4)c(=O)c3=O)cc2)cc1OC,CID3235774,,,,,,,,,,,,0.0,,,,,0.0
O=C(NC1CCCCCC1)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1,CID3239308,,,0.0,,0.0,0.0,,,,0.0,,,,,,,0.0
O=C1c2cccnc2C(=O)N1CO,CID2133484,,,,,,,0.0,,,,,,0.0,,,,
CCOC(=O)c1ccc(NS(=O)C23CC4CC(CC(C4)C2)C3)cc1,CID2851079,,,,,,,0.0,,,,,0.0,,,,,
O=C(CCn1c(=O)oc2ccccc21)NCc1ccco1,CID4176460,,0.0,0.0,,,,,,,,,,,,,0.0,
Cc1cccc2cc(C#N)c(NCCCn3ccnc3)nc12,CID645559,,0.0,0.0,0.0,,,0.0,,,,,,,,,,
CN(CCCNC(=O)CN1C(=O)CC(C)(C)S(=O)(=O)c2ccccc21)C1CCCCC1,CID3239303,,,,,0.0,,,,0.0,,0.0,,,,,,
CC(C)N1C(=O)CCC1C(=O)N1CCCc2ccccc21,CID3242452,,0.0,,,,0.0,,0.0,,,,,,,,0.0,
O=C(COC(=O)c1cccs1)c1ccc2ccccc2c1,CID902704,,,,,,,,,0.0,,,,,,,,
CC1CCCC(C)N1C(=O)CSc1nc(=O)c(-c2ccccc2)c(N)[nH]1,CID2962980,,,,,,0.0,,,,0.0,0.0,,,,,,
O=C1C2C3C=CC(C3=C3CCCCC3)C2C(=O)N1Cc1ccccc1,CID2962986,,,,,,,0.0,,0.0,0.0,,,,,,,
CC(C)(C)c1ccc(S(=O)(=O)O/N=C2\CCCCC2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1,CID4610668,,,,,,,,,,,,,,0.0,,,
CN1C(=O)CC(N2CCN(c3ccccn3)CC2)C1=O,CID2840252,,,,,,,,,0.0,,,,,,0.0,,
OC(C#CCN1CCCCC1)c1ccccc1,CID2840251,,,,,,0.0,0.0,,,0.0,,0.0,,,,,
CN(Cc1cn(C)nc1-c1cccc(Cl)c1)C1CCOCC1,CID16192305,,,,,,,,,,,,,,,0.0,,
CCn1c(C)nc2cc(S(=O)(=O)N3CCCC3)ccc21,CID744884,,0.0,,,,0.0,0.0,0.0,,0.0,0.0,0.0,,,0.0,0.0,0.0
O=C(NCc1cccs1)c1cc2c(s1)-c1ccccc1OC2,CID5308101,,,,,,,,,,,,,,,,0.0,
Cc1nc(C2CC(=O)OC23CCCCC3)cs1,CID2836320,,,0.0,0.0,,,0.0,,,0.0,,,,,,,
O=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,CID1306809,,,,,,,,,0.0,0.0,0.0,,,,,,
COc1cccc(CNS(=O)(=O)c2cc(Br)cc3c2N(C(C)=O)C(C)C3)c1,CID9551482,,,,,,,,,,,,,,,0.0,,
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)N1CCc2ccccc2C1,CID2362535,,0.0,,0.0,,,,0.0,,0.0,0.0,,0.0,,,0.0,
Cc1ccc(C)c(N2CCN(C(=O)CC3Sc4ccccc4NC3=O)CC2)c1,CID3243123,0.0,,,,,,,0.0,,,,,0.0,,,,0.0
CN(C(=O)CSc1nc(C2CC2)nc2ccccc12)c1nc(-c2ccccc2)cs1,CID1435103,,,,,,0.0,,,,,,,,,,,
O=C(COc1ccc2ccc(=O)oc2c1)c1ccc(-c2ccccc2)cc1,CID1916123,,,,,,0.0,,,,,,,,,,,
O=C(C1CCCO1)N1CCN(c2ncccn2)CC1,CID2932528,,,0.0,0.0,,,,0.0,,,0.0,,,,,,
O=C1NC(=O)N(CC2CCCO2)C(=O)/C1=C\c1c[nH]c2ccccc12,CID5730413,,,,,,,,,,,,,,,0.0,,
O=C1c2cccc3cccc(c23)C(=O)N1c1nccs1,CID252056,,,0.0,,,,,,,,,,,,,,
CCC1CCCCN1C(=O)CSc1nc2ccsc2c(=O)n1Cc1ccccc1,CID4069608,,,,,,0.0,,,,,,,,,,,
CCCn1nnnc1NC(=O)c1cccs1,CID851480,,,,,,,,,,,0.0,,,0.0,,,
Cc1nc2cc(-c3ccccc3)nn2c(C)c1CCC(=O)N1CCN(c2ccccc2)CC1,CID9550750,,,,,,0.0,,,,,,,,,,,
O=C(CCCn1c(=S)[nH]c2ccccc2c1=O)N1CCOCC1,CID3242255,,0.0,,,,,,,0.0,,,,,,,,0.0
Cc1ccc2cc3cc(C(=O)N4CCCCCC4)oc3nc2c1,CID3236052,0.0,,0.0,,0.0,,0.0,,,,,0.0,0.0,,,0.0,0.0
CN1c2ccccc2C(C)(C)C12CCCC(=O)N2,CID3242250,,0.0,0.0,,,,,,,,,,,,,0.0,
N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)C1c1ccc(OC(=O)N2CCOCC2)cc1,CID3237329,,,,,,,,,,,0.0,,,,,0.0,
O=C(c1cnccn1)N(c1ccccc1)C1(C(=O)NC2CCCCC2)CCCCC1,CID3237328,,,0.0,,,0.0,,,,,,,0.0,,,,0.0
O=C(Cn1cnc2ccccc2c1=O)NCC(=O)N1CCN(c2ccccn2)CC1,CID3237322,,,,0.0,,,,,,,,,,,,,
CC1CCCC(=C\c2ccccc2)/C1=N/O,CID15945658,,,,,,,,,,,,,,0.0,,,
O=C(O)c1ccccc1SCc1ccc2c(c1)OCO2,CID779296,,,,,,,0.0,0.0,0.0,0.0,0.0,,,,,,
O=C(NNc1cccc(Cl)n1)Nc1ccccc1,CID901020,,,,,,,,,,,,0.0,,,0.0,,
O=C(NC1CCCCC1)C(c1ccc(F)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1cnsn1,CID3200690,,,,,,,,,,,0.0,,,,0.0,,
CC1(C2(O)CC(c3ccccc3)ON2)CCCCC1,CID566195,,,,,,,,,,,,,,0.0,,,0.0
CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NCCc1ccccc1)c1ccc2c(c1)OCCO2,CID1313390,,,,,,,,,,0.0,,,,,0.0,,
O=C(c1cn(-c2ccccc2)nc1-c1cccs1)N(CCO)Cc1ccccc1,CID2336056,,,,,,,,,,,0.0,,,,,,
O=C(c1cc2c(=O)oc3ccccc3c2s1)N1CCN(c2ccccn2)CC1,CID3240127,,,,,0.0,,,,,,,,,,,,0.0
O=C(Cn1[nH]c(=O)c2ccccc2c1=O)Nc1ccc2c(c1)CCC2,CID2124942,0.0,,,0.0,,0.0,,0.0,0.0,,,,0.0,,,,
O=C(CSCc1ccc(Cl)cc1)Nc1ccccc1C(=O)N1CCOCC1,CID989303,,,,,,,,,,,,0.0,,,,,
CS(=O)(=O)N1CCN(C2CCC(c3ccccc3)CC2)CC1,CID2881210,,,,,,0.0,,,,,,,,,,,
CCOC(=O)C1(CC2CC2)CCN(S(=O)(=O)/C=C/c2ccccc2)CC1,CID16187939,,,,,,,,,,,,,,0.0,,,
CC(=O)N1CCN(c2ccc(NCc3ccc4c(c3)OCO4)cc2)CC1,CID1288173,0.0,,,0.0,,,,0.0,,,,,0.0,,,,0.0
Cc1ccc2c(CC(=O)OCn3nnc4ccccc4c3=O)coc2c1,CID2081147,,,,,,,,,,,,,,0.0,,,
O=C(CSc1nc(C2CC2)nc2c1cnn2-c1ccccc1)Nc1c[nH]c(=O)[nH]c1=O,CID3228947,,,,,,,,,,,,,,,0.0,,
Cc1nn(C)c(C)c1NC(=O)CSc1nc(C2CC2)nc2c1cnn2-c1ccccc1,CID3228948,,,,,,,,,,,0.0,,,,,,
O=C1c2ccccc2C(=O)N1CCn1c(=O)oc2ccccc21,CID752257,,,,,,,0.0,,,,,,0.0,,,,
COc1ccccc1N1CCN(C(=O)C2CCCO2)CC1,CID2862455,,,,,,,,,,,,,0.0,,,,
CC(=O)c1cn(CCCCCCCn2cc(C(C)=O)c(=O)[nH]c2=O)c(=O)[nH]c1=O,CID1815373,,,,,,,,,,,,,,,0.0,,
CN1CCC(N(C)C(=O)c2cc(=O)c3ccccc3o2)CC1,CID2425838,,,,,,,,,,,,,,0.0,,,
COc1ccc(CNC(=O)COC(=O)c2cncc(Br)c2)cc1,CID2365759,,,,,,,,,,,,,,0.0,0.0,,
CC(=O)Nc1ccc(S(=O)(=O)NC(CC(=O)NCCC2=CCCCC2)C(C)C)cc1,CID3240495,,,,,0.0,,,0.0,,,,,,,,,
CC(C)OC(=O)c1c(NC(=O)CCn2nnc3ccccc32)sc2c1CCCC2,CID1256865,0.0,0.0,0.0,,,,,0.0,,,0.0,,0.0,,,0.0,
O=C(CCN1CCCCC1)NCC(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1,CID1119300,,,,,,,,,,,,,,,0.0,,
C=CCn1c(=S)[nH]c2sc3c(c2c1=O)CCC(C)C3,CID2813779,,,,,,0.0,,,,,,,,,,,
COc1ccc(N2C(=O)CC(NC34CC5CC(CC(C5)C3)C4)C2=O)c(OC)c1,CID2975232,0.0,,,,,,,,0.0,,,0.0,,,,,
Cn1cnnc1SCC(=O)c1c[nH]c2ccccc12,CID2514986,,0.0,,0.0,,,,,,,,,,,,0.0,0.0
O=C(COc1ccc(-n2cnnn2)cc1)N1CCN(c2ccc(F)cc2)CC1,CID2540565,,0.0,,,,,,,,,,,,,,,
CCOC(=O)C1(CCCc2ccccc2)CCN(Cc2ccn[nH]2)CC1,CID16191119,,,,,,,,,,,,,,,0.0,,
CNC(=O)C1=NCCCc2cc(OC)c(OC)cc21,CID755117,,,,,,,0.0,,,,,,,0.0,,0.0,
COc1ccc(/C=N/NC(=O)c2ccc(C)cc2)cc1CN1CCN(c2ccc(F)cc2)CC1,CID1361906,,,,,,0.0,,,,,,,,,,,
O=C(CCCn1c(SCC(=O)c2ccc(F)cc2)nc2ccccc2c1=O)NCc1ccccc1,CID5097791,,,,,,0.0,,,,,,,,,,,
COc1ccccc1N1CCN(CC(=O)Nc2c(C)n[nH]c2C)CC1,CID2620928,,,0.0,,,,,0.0,,,,,,,,0.0,
c1ccc(-c2nc3nonc3c3nc4ccccc4n23)cc1,CID650321,,0.0,0.0,0.0,,,,,,,,,,,,,
O=C(NCc1cccs1)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)CC1,CID650322,,,,0.0,,,,,0.0,,,,,,,,
Cc1ccccc1NC(=O)Cn1c(C)nc2ccc(NC(=O)C3CC3)cc2c1=O,CID650324,,,,,,0.0,0.0,,,,0.0,0.0,,,,,
Cc1ccc2c(c1)cc(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)c1nnnn12,CID650325,0.0,,0.0,,,,,0.0,,,,,,,,,0.0
Cc1cc(C)c(S(C)(=O)=O)c(S(=O)c2ccc(Cl)cc2)n1,CID1484392,,,,,,0.0,,,,,,,,,,,
Cc1cc(NC(=O)CSc2nc(C3CC3)nc3sc4c(c23)CCC(C)C4)no1,CID650327,0.0,,0.0,0.0,,,,,0.0,,0.0,,,,,,0.0
Cn1c(=O)c2c(ncn2CC(=O)N(Cc2ccccc2)c2ccccn2)n(C)c1=O,CID648426,,,0.0,,,,,,,,,,0.0,,,0.0,
CCC(C)n1c(SCC(=O)NCc2ccco2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1,CID4837656,,,,,,0.0,,,,,,0.0,,,,,
O=c1[nH]c2cc3c(cc2cc1C(c1nnnn1C1CCCC1)N1CCCc2ccccc21)OCCO3,CID648422,,0.0,0.0,,,0.0,,,,0.0,,,,,,,0.0
COc1ccc(/C=N/NC(=O)c2cc(C)on2)c2ccccc12,CID842190,,,,,,0.0,,,,,,,,0.0,0.0,,
CC(C)Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)N1CCOCC1,CID648428,0.0,0.0,,,0.0,0.0,,,,,,,0.0,,0.0,,0.0
COc1cccc(C(=O)CN2CCC(NC(=O)NC3CCCCC3)CC2)c1,CID652784,0.0,,0.0,0.0,,,0.0,,0.0,,,,,,,0.0,0.0
O=C(c1ccco1)N1CCN(C(=O)C2CCCc3c2[nH]c2ccc(Cl)cc32)CC1,CID652786,0.0,,,,,,,,,,0.0,,0.0,,,,0.0
N#Cc1cnc(NOCc2ccc(Cl)cc2)nc1,CID1482942,,,,,,,,,,,,,,,0.0,,
Cc1ccc(SCC(=O)NCCN2C(=O)CSC2=O)c(C)c1,CID2088404,,,0.0,,0.0,,,,,0.0,0.0,,0.0,0.0,0.0,0.0,
O=C(NCCCN1CCc2ccccc2C1)C1CCN(S(=O)(=O)N2CCCC2)CC1,CID3238713,,,0.0,,,,0.0,,,,,,,,,,0.0
O=C(CCCn1c(=O)[nH]c2ccsc2c1=O)N1CCN(c2ccccn2)CC1,CID3238712,,0.0,,,,,,,,0.0,,,,,,0.0,
Cc1oc(-c2ccccc2F)nc1CS(=O)(=O)CC(=O)NCCCN(C)C1CCCCC1,CID3238711,,,0.0,0.0,,,,0.0,,0.0,,,0.0,,,,
CN(C(=O)c1ccccn1)C(C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1,CID3238710,0.0,,0.0,,0.0,,,,0.0,,0.0,0.0,,,,,
Cc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)cc1,CID2915051,,,,,,,,,,,,,,0.0,,,
O=C(NCc1ccco1)C12CC3CC(C1)CC(C(=O)NCc1ccco1)(C3)C2,CID2894285,,,0.0,,,0.0,,,0.0,,0.0,0.0,,,,0.0,0.0
CC(=O)NCCc1ccc(S(=O)(=O)NC2OC(=O)c3ccccc32)cc1,CID3238718,,,,,,0.0,,0.0,,,,,,,,0.0,
CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC3)cc1,CID2940709,,,,,,,,,,,,,,0.0,,,
CN1C(=O)C2CN(CCc3ccccc3)CNC2N(C)C1=O,CID654787,,,,,,0.0,,,,,,,,,,,
COc1ccc(-c2nc3c(=O)n(C)c(=O)[nH]c3n2CCc2ccccc2)cc1,CID654784,0.0,,0.0,0.0,,,,0.0,,,,0.0,,,,0.0,
C1CCC(n2nnnc2CN2CCN(C3CCCC3)CC2)CC1,CID654785,,0.0,,0.0,,,,,,,,,,,,,
O=C(CN(Cc1cccs1)C(=O)CN1C(=O)COc2ccccc21)NCc1ccco1,CID654783,,,,,0.0,,,0.0,,,,,,,,0.0,0.0
Cc1cnc(C(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)cn1,CID2553004,,,0.0,,,0.0,,,,,,,,,,,0.0
Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O,CID2999180,,,,,,,,0.0,,,0.0,,,,,,
Cc1ccc2cccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)c2n1,CID972379,,,,0.0,,,0.0,,,,,0.0,,0.0,0.0,0.0,
CCOc1cc(OCC)cc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2Cl)c1,CID2263702,,,,,,0.0,,,,,,,,,,,
CCOC(=O)CN1C(=O)CN(c2ccc(C)cc2)C1=O,CID2228401,,,,,,,,,,,,,,,0.0,,
COc1cc(-c2nnc(-c3ccc(S(=O)(=O)c4ccccc4)cc3)o2)cc(OC)c1OC,CID651594,,,0.0,,,0.0,,,,,,,,,,,
Cc1ccc(-c2cc3nc(C)cc(NCc4ccco4)n3n2)cc1,CID653674,0.0,,0.0,,,,,,,,,,,,,,
CC1Cc2ccccc2N1C(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1,CID649375,,,,0.0,0.0,,,,,0.0,,,,,,,
CC(=O)N(C)c1ccc(OCC(O)CN(Cc2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1,CID2950375,,,,0.0,0.0,,,0.0,,0.0,0.0,,,,0.0,0.0,0.0
O=C(CSc1nccn1-c1cccc(Cl)c1)NC1CCCC1,CID866719,0.0,0.0,,0.0,0.0,,,,,,,0.0,,0.0,,,
COc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(CCN3CCOCC3)c2)c1,CID2368951,,,0.0,,,,,,,,,,,,,,
CCOc1ccccc1NC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1,CID654163,0.0,0.0,,,0.0,,,,,,,,,,,,0.0
Cc1cc(C)c(S(=O)(=O)N2CCN(c3nc4c(c(=O)n(C)c(=O)n4C)n3C)CC2)c(C)c1,CID654160,,0.0,,,,,,,,,,,,,,,
CC(C)Cn1cc(C(=O)NCC2CCCO2)c2c3ccccc3n(C)c2c1=O,CID3236584,,,,,0.0,,,0.0,,,,,,,,,
CCOc1ccc(NC(=O)CC2C(=O)N(c3ccccc3)C(=O)N2Cc2ccco2)cc1,CID16193448,,,,,,,,,,,,,,,0.0,,
CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c2C#N)C1,CID4182743,,,0.0,,0.0,,,,,,,,,,,,
O=S1(=O)CCN(CCc2cn(Cc3ccc(C(F)(F)F)cc3)c3ccccc23)CC1,CID1477606,,,,,,,,,,,,0.0,,,,,
O=S(=O)(NC1CCCCC1)c1ccc(Cl)nc1,CID822454,,,,,,,,,,,,,,0.0,,,
Cc1c(C(=O)NCc2ccccn2)oc2ccc(S(=O)(=O)N3CCOCC3)cc12,CID3245419,,,,,,,,,,,0.0,,0.0,,,,
O=c1/c(=C/c2cccnc2)sc2nc3ccccc3n12,CID677846,,0.0,,,,,0.0,0.0,,0.0,0.0,0.0,0.0,,,0.0,
CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NC1CCCC1,CID5389099,,,,,,0.0,1.0,,,,,,,,,,
CC1=CC2=C(N=O)CCCC2=NN1,CID5389091,,,,,,,0.0,0.0,,,,,,,,,
CCCCCCC1=Cc2c/c(=C3/NN/C(=C4/C=CC=CC4=O)O3)c(=O)oc2=CC1=O,CID5389090,,,,,,0.0,,,,,,,,,,,
Cc1ccc(-n2ncc3c(SCC(=O)NNC(=O)c4ccco4)ncnc32)cc1,CID1445311,,,,,,,,,,,,,,0.0,0.0,,
O=C(CN1CCCCC1)Nc1ccccc1NC(=O)CN1CCCCC1,CID1327366,,,0.0,,,,,,0.0,,0.0,,,,,0.0,0.0
c1csc(-c2cn3ccc4ccccc4c3n2)c1,CID763549,,,,,,,,,,,,,,0.0,0.0,,
COc1ccccc1OCc1csc(NC(=O)c2ccco2)n1,CID2358649,0.0,0.0,0.0,0.0,0.0,,,,,,,,0.0,,,,
C/C(=N\NC(=O)CSCc1ccc(Cl)cc1)c1cccc(NC(=O)c2ccccc2)c1,CID3097654,,,,,,,,,,,,0.0,,,,,
O=C(C1CCC(CNc2nc(=S)[nH]c3ccccc23)CC1)N1CCN(c2ccccn2)CC1,CID3237393,,,0.0,,,,,,,,,,,,,0.0,
Cc1ccc2c(c1)nnn2C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1,CID1469691,,,,,,,,,,,0.0,,,,,,
O=C(NCc1cccs1)c1ccccc1C(=O)NCc1cccs1,CID1292973,,,0.0,,0.0,,0.0,,,0.0,,0.0,,,,,
Cn1cc(Cl)c(-c2n[nH]c(=S)n2C2CCCCC2)n1,CID5170677,,,,,,,,,,,,,,,0.0,,
CN(C(=O)c1ccccc1)c1ccc(OCC(=O)NC2CCS(=O)(=O)C2)cc1,CID3237396,,,,,,,,,,,,,0.0,,,0.0,
CC1Cc2nc(SCC(=O)NCc3ccco3)n(Cc3ccccc3)c(=O)c2S1,CID4349595,,0.0,,,0.0,,,,,,,,,,,0.0,
C=C(C)C1CC=C(CN2CCC(C(=O)OCC)CC2)CC1,CID2845852,,,,,,,,,,0.0,,,0.0,,,,
O=C(c1snnc1-c1ccccc1)N1CCOCC1,CID2767921,,,,,,,,,,,,,,,0.0,,
COC(=O)c1sccc1-n1cccc1C(=O)C(=O)N1CC(C)OC(C)C1,CID2767926,,,,,,,,,,0.0,,0.0,,,,,
Cc1c(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)c(=O)n(-c2ccccc2)n1C,CID1505218,,,,,0.0,,,,,,,,0.0,,,0.0,0.0
Cc1ccc(SCc2[nH]nc3c2C2(CCSCC2)C(C#N)=C(N)O3)cc1,CID1301910,,,,,0.0,,0.0,,,,,,0.0,,,,
CN1C(=O)/C(=N\OC(=O)c2cccc3ccccc23)c2ccccc21,CID5347385,,,,,,0.0,,,,,,,,,,,
Cc1cccc(NC(=O)/C(=C\c2cccs2)NC(=O)c2cccs2)c1,CID5347383,,,,,,0.0,,,,,,,,,,,
O=C(Cc1cccs1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1,CID868466,,,,,,0.0,,,,,,,,,,,
CCCc1cc(=O)oc2c(CN3CCOCC3)c(O)ccc12,CID5413026,,,,,,,,,,,,,,,0.0,,
O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)Nc1ccccn1,CID661656,0.0,0.0,,0.0,0.0,,0.0,,,,,,,,0.0,,
Cc1c(N/C=C2\C(=O)NC(=O)N(Cc3ccc(F)cc3)C2=O)c(=O)n(-c2ccccc2)n1C,CID5522016,,,,,,,,,,,,,,,0.0,,
COc1ccc(-c2ccc(-c3noc(C4CCCCC4)n3)c(OC)n2)cc1,CID664779,0.0,,,0.0,,,0.0,,0.0,,0.0,,,0.0,,,
Nc1c2c(nc3ccn(-c4ccccc4)c(=O)c13)CCCCC2,CID664775,0.0,0.0,0.0,,,,0.0,,0.0,,,,,,,,
O=C(c1cccs1)N1CCc2c([nH]c3ccccc23)C1c1ccc(Cl)cc1,CID3610662,,,,,,0.0,,,,,,,,,,,
Cc1cc(NC(=O)Cn2nc3c(cc2=O)CCCC3)ccc1Br,CID2412175,0.0,,,,,,0.0,,0.0,,,0.0,,,0.0,0.0,0.0
O=C(Cn1cnc2c(oc3ccccc32)c1=O)NCCc1ccccc1,CID3243125,,,,,0.0,,,,0.0,,,,,,,,0.0
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccco3)c2C)c1,CID878912,,,,,,,,,,,,,,,0.0,,
COc1cccc(C(=O)COC(=O)C(C)N2C(=O)c3ccccc3C2=O)c1,CID2915884,,,0.0,,,,0.0,,,,,,,,,,0.0
O=C(NCCCn1ccnc1)C1CC(c2cccc(Br)c2)=NO1,CID2962238,,,,,,,,,0.0,,0.0,0.0,,,,0.0,0.0
Cn1c(C(=O)NCc2ccccn2)cc2c(=O)n(C)c3ccccc3c21,CID5309438,,,,,,,,,,0.0,,,,,,,
CC(C)(C)n1nc2c(c1NC(=O)c1cccs1)CS(=O)C2,CID756307,0.0,0.0,,0.0,0.0,,0.0,,,0.0,,,0.0,,,,
NC(=O)C1(N2CCCCC2)CCN(C(=O)CCCn2c(=O)[nH]c3ccsc3c2=O)CC1,CID2068194,,,,,0.0,,,,,0.0,,,,,,,
CCOC(=O)N1CCN(C(=O)CNC(=O)c2nn(-c3ccc(OC)cc3)c(=O)c3ccccc23)CC1,CID11957274,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccc(N2C(=O)C3C4C=CC(C4)C3C2=O)cc1)Nc1nnc(C(F)(F)F)s1,CID11957270,,,,,,,,,,,,0.0,,,,,
O=C1OCC(Cn2c3ccccc3c3ccccc32)O1,CID2840981,,0.0,,,,0.0,0.0,0.0,,,,,,,0.0,,
O=C(CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)N1CCCc2ccccc21,CID1164778,,,,,0.0,,,,,,,,,,,,
CCn1c2ccccc2c2cc(/C=N/n3cn[nH]c3=S)ccc21,CID2309090,,,,,,0.0,,,,,,,,,,,
c1cncc(-c2nc3c(ccc4ccccc43)[nH]2)c1,CID1079139,,,,,,0.0,,,,,,,,,,,
O=C(Oc1ccc2c(c1)OCO2)c1cccs1,CID2999186,,,,,,,0.0,,,,,,,,,,
CC(C)CN(C(=O)COC(=O)c1cc2ccccc2oc1=O)C1CCS(=O)(=O)C1,CID2999185,,,,0.0,0.0,,,0.0,,,,,,,,0.0,
O=C(CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)NC(=O)NCc1ccccc1,CID2999184,0.0,,,,,,0.0,,,,,,,,,,
Cc1noc(C)c1CSc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12,CID2121335,0.0,,,,0.0,,,,,0.0,0.0,,,,,0.0,
O=c1c2ccccc2nnn1CSc1ccc2c(c1)OCCO2,CID2121339,,0.0,,0.0,,,,,,,,,,,,0.0,0.0
Cc1cc(N/C=C2\CCCCC2=O)no1,CID2997798,,0.0,0.0,,,,,,,,,,,,,,0.0
COc1ccc(NS(=O)(=O)c2ccc(N3CCCC3)c(NC(=S)Nc3cccc(C)c3C)c2)cc1,CID3516620,,,,,,,,,,,,,,,0.0,,
Cc1nc2nc[nH]n2c(=O)c1NC(=O)c1c(-c2ccccc2Cl)noc1C,CID3239075,0.0,0.0,,,,,,,,,,,,,,,
Cn1c(=O)cc(SCC(=O)NCCN2CCN(c3ccccc3F)CC2)c2cc(Cl)ccc21,CID3239074,0.0,,,0.0,0.0,,,,,,,0.0,0.0,,,,
CC(=O)Nc1ccc(N2S(=O)(=O)c3ccccc3S2(=O)=O)cc1,CID3239076,,,,0.0,0.0,,0.0,,,0.0,,,0.0,,,0.0,
CC1(C)CC(=O)C(C(c2cccc([N+](=O)[O-])c2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1,CID335345,,,,,,,,,,,,,,,0.0,,
O=C(CCc1ccccc1)Nc1cccc(NC(=O)CCc2ccccc2)c1,CID2165597,,,,,,,,,,,,0.0,,,,,
COc1cc2c(cc1OC)C(C(=O)Nc1ccc3c(c1)OCCO3)C(c1cccnc1)N(C)C2=O,CID3241016,,,,,0.0,0.0,,,0.0,,,,,,,,
CCOC(=O)N1CCC(NC(=O)c2cc3sccc3n2CC)CC1,CID3241012,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,,,,,0.0,,,0.0,
CN(c1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])C1CCCCC1,CID2967146,,,,,,0.0,,,,,,,,,,,
O=C(CN1CCCCC1)NCCNC(=O)CN1CCCCC1,CID2920518,,0.0,,,,,,,,,,,,,,0.0,
CC(Oc1ccccc1)C(=O)OCn1nnc2ccccc2c1=O,CID2920519,,,,0.0,0.0,,,,,,,,0.0,0.0,,,0.0
Cn1c(=O)c2c(nc(N3CCN(c4ccccn4)CC3)n2Cc2ccc(Cl)cc2Cl)n(C)c1=O,CID1383914,,,,,,,,,,,,0.0,,,,,
COc1ccc(OC)c(-c2csc3nnc(SCC(=O)Nc4ccc(NC(C)=O)cc4)n23)c1,CID645313,,,,0.0,0.0,,,,0.0,,,,,,,0.0,
Cc1nnc(Nc2ccccn2)c2ccccc12,CID645317,,0.0,0.0,,,,,0.0,,,,,,0.0,,,
O=C(NC1CCC(c2ccccc2)CC1)c1cccnc1,CID1135781,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(CN2C(=O)CC(=O)NC2=O)cc1,CID659278,,,0.0,,,,,0.0,0.0,,,,,,,,
CCC1(C)Cc2c(sc3nc4n(c(=O)c23)CCS4)CO1,CID659275,,,0.0,,,,0.0,,,,,0.0,,,,,
CN(C)c1ncnc2c1N=C1CC(C)(C)CC(NCCCC(=O)O)=C1S2,CID4552534,,,,,,0.0,,,,,,,,,,,
COC(=O)c1cc(Br)c(=O)n(Cc2cccnc2)c1,CID659277,0.0,,,,,,,,,,,0.0,,,,,0.0
CC1CC(Nc2ccccc2)c2ccccc2N1C(=O)c1cccnc1,CID659273,,0.0,,,,,,,,,,,,,,,0.0
Cc1nc(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)ccc1Br,CID1258911,,,,,,,,,,,,,,,0.0,,
CN(C)c1[nH]c(=O)c(C#N)c2c1CCN2Cc1ccccc1,CID658105,,,,0.0,,0.0,,,,,,0.0,,,,,
Cc1cc2cc(C)c3nnc(SCC(=O)N4CCc5ccccc54)n3c2cc1C,CID1374097,,,,,,0.0,,,,,,,,,,,
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN1CCCC1,CID4638262,,,,,,,,,,,,,,0.0,,,
COc1ccc(/C=N/n2cnc3c([nH]c4ccccc43)c2=O)cc1COc1ccccn1,CID1919069,,,,,,,,,,,,,,,0.0,,
COc1ccc(-c2nc(C#N)c(NCCCN3CCOCC3)o2)cc1,CID1977789,,0.0,,,,,,,,,,,,,0.0,,
O=C(COC(=O)/C=C/c1cccs1)Nc1ccc2ccccc2c1,CID2352280,,,,,,,,,,,,,,0.0,,,
O=C1CC(c2ccc(S(=O)(=O)NC3CC3)cc2)CN1,CID5136036,,0.0,,0.0,,,,,,,,,,,,,
COC(=O)c1ccc(NS(=O)(=O)c2ccccc2)o1,CID2767874,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)O/N=C(\C)c2cnccn2)cc1,CID1473007,,,,,,,,,,,,,,0.0,,,
Cc1occc1C(=O)NC1CCCc2ccccc21,CID2970261,,,0.0,,,,0.0,,,,,,,,,0.0,0.0
O=C(Nc1ccc2c(c1)C(=O)N(c1ccccc1)C2=O)c1cccs1,CID671729,,,,,,,,,,,,,,0.0,,,
O=C(COC(=O)/C=C/c1ccccc1)NCCC1=CCCCC1,CID2366888,,,,,,,,,,,,,,0.0,,,
Cc1cn(C(=O)c2cccc(Br)c2)c(C)n1,CID748124,0.0,,,,,,,,,,,0.0,,,0.0,,
CCc1ccc(NC(=O)CNC(=O)c2cn(-c3ccccc3OC)c(=O)c3ccccc23)cc1,CID9550280,,,,,,0.0,,,,,,,,,,,
Cc1cc(Cl)c(S(=O)(=O)NC2CCCCC2)cc1OCC(=O)Nc1nncs1,CID2221791,,,,,,,,,0.0,,,,0.0,,,,0.0
Cc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCCC3)c3ccc(F)c(Cl)c3)n2)o1,CID3180549,,,,,,,,,,,0.0,,,,,,
COC(=O)C1C(=O)c2c([nH]c(C(=O)OCC3CCCO3)c2C)CC1C,CID2997176,,,,,,,0.0,,,,,,0.0,,,,0.0
CC1(C)C(=O)Nc2ccccc2N1C(=O)CSc1nnc2ccccn12,CID2452146,,,,,,,,,,,,,,,0.0,,
O=C(Cc1ccccc1)Nn1cnc2ccccc21,CID2318659,,,,,,,,,,,0.0,0.0,0.0,,0.0,0.0,
N#Cc1ccc(C2=NC(C(F)(F)F)(C(F)(F)F)c3c(n(Cc4ccco4)c(=O)[nH]c3=O)N2)cc1,CID1421903,,,,,,,,,0.0,,,,,,,,
Cc1nonc1N1CCN(Cc2cn[nH]c2-c2ccc(F)cc2F)CC1,CID16189889,,,,,,,,,,,,,,,0.0,,
CC(C)(C)n1nnc(CCc2nnn(C(C)(C)C)n2)n1,CID660408,,0.0,,0.0,0.0,,,,,,,0.0,,,,,
Cc1nnc(SCC(=O)Nn2cnnc2)s1,CID660403,,0.0,,,,,,,,,,,,,,,
O=C(CCC1CCCC1)N1CCC(N2CCN(c3ccccc3)CC2)CC1,CID660400,0.0,,,,,,,,,,,,,,,,0.0
COC(=O)c1ccc(CN(C(C)=O)c2ccccc2)o1,CID660401,,,,,,,,,,,0.0,,,0.0,0.0,,
Cc1onc(-c2ccccc2)c1C(=O)Nc1ccncc1,CID1122041,,,,,,,,,,0.0,,0.0,,,0.0,,
Cc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)sc3c2)cc1,CID752127,,,,,,,,,,,,,,0.0,,,
CC(Oc1ccccc1)C(=O)Nc1nnc(C2CCCCC2)s1,CID2932483,,,,,,,,,,,,,,0.0,,,
COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CCN1CCN(Cc2ccc3c(c2)OCO3)CC1,CID662803,,,,,,,,,,,,0.0,0.0,,,,
O=C(N1CCCCC1)N1CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1,CID991675,0.0,,0.0,0.0,,,,,,,0.0,,,,0.0,,0.0
O=C(NCC1CCCO1)C1CCN(CC2CCCCC2)CC1,CID646023,,,,,,,,,,,,,,,0.0,,
COc1ccc(/N=C2\S/C(=C\c3ccc(OCC(=O)O)cc3)C(=O)N2CCc2c[nH]c3ccccc23)cc1,CID5995173,,,,,,,,,,,,,,0.0,,,
CCN1CCN(C2=NC(=O)/C(=C/c3ccc(C)o3)S2)CC1,CID1953653,,,,,,0.0,,,,,,,,,,,
CC1CCCCC1NC(=O)C(=O)NCC1CCCO1,CID3156709,,,,,,,,,,0.0,,,,,,,
CN(Cc1ccccc1)C(=O)COc1cc(=O)n(C)c2ccccc12,CID9551325,,,,,,0.0,,,,,,0.0,,,,,
Cc1oc(-c2cccs2)nc1CSCC(=O)NC1CC1,CID9551328,,,,,,,,,,0.0,,,,,,,
Cc1ccc(C(=O)NCCNC(=O)CN2CCOCC2)cc1,CID2899073,,0.0,,0.0,,,,,,,,,,,,,
c1ccc2c(c1)OCC(c1nnc3sc(-c4cnccn4)nn13)O2,CID2972248,,,0.0,0.0,,,,,,,,,,,,,
CCCCn1nc2cc(C(=O)N(CC)c3ccc(OC)cc3)ccc2c1OCC,CID11958483,,,,,,,,,,,,0.0,,,0.0,,
O=C(CC1CCCCC1)Nc1ncn[nH]1,CID704227,,,,,,,,,,0.0,,,,,,,
CCCS(=O)(=O)N1CCC(C(=O)NCCCN2CCCC2=O)CC1,CID3245033,,,0.0,,,,0.0,,,,,,,,,0.0,
COc1cccc(CNn2c(-c3cccc(C)c3)nc3ccccc3c2=O)c1O,CID3245030,0.0,0.0,,,,,0.0,,,,,,,,,,
COCCNC(=O)c1ccc(Cn2c(=S)[nH]c3cc4c(cc3c2=O)OCO4)cc1,CID3245031,,,0.0,,0.0,,,0.0,,0.0,,,,,,0.0,
O=C(C1CCCN(S(=O)(=O)c2cccc3nsnc23)C1)N1CC=C(c2ccccc2)CC1,CID3245036,,,,,,0.0,,,,,,,,,,,
O=C1C(=CNCC2CCCO2)C(=O)c2ccccc21,CID2841610,,,,,0.0,,,,,,,,,,,,0.0
O=C(Nc1ccc2c(c1)OCO2)c1c(Cl)nc2sccn12,CID2348690,,0.0,,,0.0,0.0,,,,0.0,,,0.0,,0.0,,0.0
O=C(CSc1ncn[nH]1)Nc1ccccc1Sc1ccc(Cl)cc1,CID2366062,,,,,,,,,0.0,,,0.0,,0.0,0.0,,
COc1ccc(C(=O)Cn2nnc(-c3ccccc3NC(=O)c3ccco3)n2)cc1,CID656033,,,,,,,,,0.0,0.0,0.0,0.0,0.0,,,,0.0
COc1cc(N2CCCC2)c(OC)cc1/C=c1\sc2nc3ccccc3n2c1=O,CID662301,0.0,,0.0,,0.0,0.0,,,,,,,,,,,0.0
O=C1C=CC2=C(c3ccccc3C(=O)O)Nc3ccc(O)cc3OC2=C1,CID5405444,,,,0.0,,0.0,,,,,,,,,,,
COc1ccnc(CS/C(N)=N/c2cccc(F)c2)c1,CID6340048,,,,,,,,,,0.0,,,,,0.0,,
Cc1ccc(-c2nc(CS(=O)CC(=O)N3CCN(c4ncccn4)CC3)c(C)o2)cc1,CID4187315,,,,,,,,,,,,,,,,0.0,
O=C1CC(Sc2nnnn2C2CCCCC2)C(=O)N1c1ccccc1,CID2973118,0.0,,,,0.0,,,,,,,,,,,0.0,
O=C1CCCN1c1ccc(S(=O)(=O)N2CCN(c3ccccn3)CC2)cc1,CID1520373,,,,,,,,0.0,,,0.0,,0.0,,,,
O=C(c1ccc(CS(=O)(=O)Cc2ccc(Cl)cc2)o1)N1CCCC1,CID3242251,,,,0.0,,,,,,0.0,,,,,,0.0,
Cn1c(=O)oc2cc(S(=O)(=O)NCCC(=O)NC3CCCC3)ccc21,CID3236051,,,,,,,,0.0,0.0,,,,,,,,0.0
CC(C)(C)S(=O)(=O)c1cnc2c(-c3ccsc3)cnn2c1N,CID1480614,,,,,,,,,,,,,,,0.0,,
N#CCSc1nc2ccccc2c(=O)n1CCC(=O)NC1CCCCC1,CID3244556,,0.0,,,,,,,,,,,,,,,
O=S(=O)(c1ccc2ccccc2c1)N1CCN(S(=O)(=O)N2CCCCC2)CC1,CID2242687,,,,,,,,,0.0,0.0,0.0,,,,,,
COc1cc2c(c(O)c1OC)C(=O)C(OC)CCC2,CID2834407,,,,,,0.0,,0.0,,0.0,,,,,,0.0,
CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)OCC(=O)N3CCCCC3)cc2)cc1,CID3589508,,,,,,,,,,,,,,,0.0,,
Cc1ccc(Cn2ccc(NC(=O)c3cc(-c4ccc5c(c4)OCO5)on3)n2)cc1,CID3237320,0.0,,,,,,,,0.0,0.0,0.0,0.0,0.0,,,,
COc1ccc2[nH]c3c(NCCN4CCCCC4)ncnc3c2c1,CID663995,,,,0.0,,,,0.0,0.0,,,,,,,,
Cc1cccc(S(=O)(=O)c2c(N)n(/N=C/c3cccnc3)c3nc4ccccc4nc23)c1,CID663996,0.0,,,,0.0,,0.0,,,,0.0,,,0.0,,,
N#Cc1nc(-c2ccco2)oc1NCc1cccnc1,CID663991,,,,,,,,,0.0,0.0,,0.0,0.0,,,,
N#Cc1nc(Cc2ccccc2)oc1NCCCn1ccnc1,CID663992,0.0,0.0,0.0,,,,0.0,0.0,,,,,,,0.0,,
Cc1nc(Nc2ccc3c(c2)OCCO3)c2nnn(Cc3ccccc3Cl)c2n1,CID646338,0.0,0.0,0.0,,,,0.0,,,,,,0.0,,,,
C=CCn1c(SCC(=O)NC2CC2)nc2sc(CC)cc2c1=O,CID2377724,,,,,,,,,,,,,,0.0,,,
O=C(c1ccccc1F)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2n2nnnc12)OCO3,CID3216789,,,,,,,,,,,,0.0,,,,,
Cc1nc(N2CCCCC2)c2c(-c3cccs3)csc2n1,CID2461526,,,,,,,,,,,,,,0.0,,,
CCc1ccc2c(c1)C1(NN=C(c3cccc4ccccc34)S1)C(=O)N2,CID2861516,,,,,,,,,,,0.0,,,,,,
CC1(C)C(c2ccccc2)=NC(c2cccnc2)N1O,CID3825881,,,,,,,,0.0,,,,,,,,,
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccnc3OC)cc2)cc1OC,CID1359639,,,,,,,0.0,,0.0,0.0,,,,,0.0,,
CC1(C)CC(=O)c2sc(NS(=O)(=O)Cc3ccccc3)nc2C1,CID1308026,,,,0.0,0.0,,,,0.0,,0.0,,,,0.0,,
C=CCn1c(SCC(=O)NCc2ccco2)nc2sc3c(c2c1=O)CCCCC3,CID1308021,0.0,,0.0,0.0,,,,,,,,,,,,,
Cc1ccc(CNc2cc(-c3nn4c(C)nnc4s3)ccc2C)s1,CID1252532,,0.0,,0.0,0.0,,,,,0.0,,,,,,,
Cc1cc(NC(=O)c2cnn3cccnc23)no1,CID1251288,,0.0,,,,,,,0.0,,,0.0,0.0,,,,
O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCCCC1,CID791428,,,,,,,,,,,,,,,0.0,,
O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCN(Cc2ccccc2)CC1,CID2984526,,,,,0.0,,,,,,,,,,,,0.0
CC/N=C1/S/C(=C\c2cn(CC)c3ccccc23)C(=O)N1CC,CID1737254,,,,,,,,,,,,,,,0.0,,
CCN(CC)CCn1c(=N)n(CCO)c2ccccc21,CID799618,,,,,,,,0.0,,,,,,,,0.0,
CCN(CC)C(=O)C1CCN(S(=O)(=O)c2ccc3oc4ccccc4c3c2)CC1,CID2919510,,,,,,,0.0,,,0.0,0.0,,0.0,,0.0,,
Cc1onc(-c2ccccc2)c1C(=O)N1CCCN(C(=O)c2c(-c3ccccc3)noc2C)CC1,CID1241167,0.0,,,,,,0.0,,,,,,,,,,
O=C(NC1CCCC1)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1,CID3240513,0.0,,,0.0,0.0,0.0,,,,,,,,,,,0.0
CCCCCn1c(=O)[nH]c2cc(C(=O)NCCN3CCOCC3)ccc2c1=O,CID3240511,,,,,,,,0.0,,,,,,,,,
COc1ccccc1-c1nnc(Sc2nc([N+](=O)[O-])nn2C)o1,CID2205572,,,,,,,,,,,,,,0.0,,,
O=C1OC(OC(=O)c2ccccc2Br)C(N2CCOCC2)=C1Cl,CID12005458,,,,,,,,,,,,,,,0.0,,
C=CCSc1nc2c(c(=N)n1CC=C)C1CCCC1S2,CID666823,,,,0.0,0.0,,0.0,,,,,,,,,,
CCC1CCCCN1Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)o1,CID666826,,,,,0.0,,,,,,0.0,,,,,,0.0
O=c1nccc(NCc2ccco2)[nH]1,CID666825,,0.0,,,,,,0.0,0.0,0.0,,,,,,,
COC(=O)c1ccc(-n2nnnc2SCc2nn[nH]n2)cc1,CID882248,,0.0,,,0.0,,,,,,0.0,,,,0.0,,
COc1cccc(NC(=O)CN(C)CC(=O)Nc2ccccc2-c2ccccc2)c1,CID2529661,,,,,,,,,,,,,,,0.0,,
O=C(CSCc1ccccc1)N1CCN(C(=O)c2ccco2)CC1,CID839142,0.0,,0.0,,,,,0.0,,0.0,,,,,,,
c1ccc(Cn2c(Sc3nnnn3-c3ccccc3)nnc2-c2ccccc2)cc1,CID1253667,,,,,0.0,,,,0.0,,0.0,,,,,,
Clc1ccc2c(N/N=C/c3cccc(Br)c3)ccnc2c1,CID4039375,,,,,,,,,,,,,,,0.0,,
O=C(CN1C(=O)c2cccc3cccc1c23)NCc1ccccn1,CID937708,,,,,,0.0,,,0.0,,,,,,,,
O=C(Nc1nccs1)c1ccc(S(=O)(=O)c2ccccc2)cc1,CID753886,,,,0.0,0.0,,0.0,,0.0,,,,0.0,,0.0,,
O=C(CSc1nnc(COc2ccccc2F)n1-c1ccccc1)NC1CCS(=O)(=O)C1,CID4690628,,,,,,,,,,,,,,,0.0,,
O=C(NCCc1ccccc1)c1cc2sccc2n1Cc1ccccc1,CID3225098,,,,,,0.0,,,,,,,,,,,
CCOC(=O)CC1C(=O)NCCN1Cc1cccs1,CID2990744,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(-c2cc(C(=O)NN=C3CCN(C)CC3)[nH]n2)cc1,CID4593003,,,,,,,,,,,,,,0.0,,,
O=C(c1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1)N1CCCCC1,CID4287683,,,,,,,,,,0.0,,,,,,,
O=C(Nc1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cs1)C1COc2ccccc2O1,CID2947587,,,,,,,0.0,,,0.0,0.0,,,,,,
COc1ccccc1N1CCN(C(=O)CN2C(=O)c3cccc4cccc(c34)C2=O)CC1,CID2946633,,,,,,,,,,,,,,,0.0,,
CC(=O)c1cc(CN2C(=O)CCC2=O)cs1,CID872403,,,,0.0,,,0.0,,0.0,,,,,,,,
O=C(COC(=O)c1ccc[nH]c1=O)NC1CCCC1,CID2369923,,,,,0.0,,0.0,,,,,,,,,0.0,
CC1=Nc2ccccc2NC(=O)C1Sc1nnc(C)s1,CID2951720,0.0,,,,0.0,,0.0,,0.0,0.0,,,,,,,
COc1ccc2cc3cc(C(=O)NCCN4CCN(c5ccccc5F)CC4)oc3nc2c1,CID3238694,,0.0,0.0,,,,,,,,,,,,,,
O=C1CC(c2ccco2)CC(Nc2ccccc2)=C1C(=O)Nc1ccccc1,CID3238692,0.0,,,,,,0.0,,,,0.0,,,,,,0.0
O=C(NCCc1ccccc1)C(c1cccs1)N(C(=O)c1csnn1)C1CC1,CID654825,,0.0,,,0.0,,,,0.0,0.0,,,0.0,,,0.0,
Cc1cc(NC(=O)c2noc3c2CCc2ccccc2-3)no1,CID5309278,,,0.0,,,,,0.0,,,,,,,,,
Cc1cc(C)n(C(=O)C23CC4CC(CC(C4)C2)C3)n1,CID2932043,0.0,,,0.0,0.0,,0.0,,0.0,,,0.0,0.0,0.0,,0.0,
O=C1CCc2cc(S(=O)(=O)NC(Cc3ccccc3)C(=O)NC3CCCCC3)ccc2N1,CID5309273,,,,,,0.0,,,,,0.0,0.0,,,0.0,,
c1ccc(CCNc2ncnc3c2nnn3Cc2ccccc2)cc1,CID647841,,0.0,,,,,,,,,,,0.0,,,,0.0
O=C(NC1CCCCC1)C1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1,CID647843,,,0.0,,,,,,,,0.0,,,,,0.0,
O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)NCCN1CCOCC1,CID647842,0.0,,,,,,,,0.0,,,,,,,,0.0
O=C(c1ccc(N2CCOCC2)nc1)N1CCOCC1,CID647844,,,0.0,,,,,0.0,,,,,,,,0.0,
O=C(NC1Sc2ccccc2N=C1c1ccccc1)c1ccco1,CID2891850,,,,,,0.0,,,,,,,,,,,
CC(Nc1c([N+](=O)[O-])c(=O)oc2ccccc12)C(Cl)c1ccccc1,CID3096485,,,,,,0.0,,,,,,,,,,,
CCC(C)(C(=O)NC1CCCCC1)N(C(=O)c1ccccn1)c1ccccc1,CID3915250,,,,,,,,,,0.0,,,,,,,
Cc1occc1-c1nnc(SCc2nnc(-c3ccc(Cl)cc3)o2)n1C,CID2604189,0.0,0.0,,,0.0,,,,,,,,,,,,0.0
Cc1ccc(N2C(=O)c3ccc(C(=O)NCCN4CCOCC4)cc3C2=O)cc1,CID1263066,,,,,,,,,,,0.0,,0.0,,,,
Cc1c(C#N)c2ncn(Cc3ccccc3)c(=O)c2n1-c1ccccc1,CID878499,,,0.0,0.0,,,0.0,,,,,,0.0,,,,
Cc1ccccc1C(=O)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1,CID2474510,,,,,,,,,,,,,,0.0,,,
CC12CCCCC1N(O)C(=O)C(=O)N2O,CID2842220,,,,,,,,,,,,,,,0.0,,
Cc1nc2cc(C(F)(F)F)ccc2n1C1CCN(C(=O)N2CCOCC2)CC1,CID653358,,,,,0.0,,,,,,,0.0,,,,,0.0
O=C(CSc1nnc(Cc2ccccc2)n1C1CCCCC1)N1CCOCC1,CID653354,,,0.0,,,,,0.0,,,,,0.0,,,0.0,
CC(C)Oc1ccc(CNC2CCOC(C)(C)C2)cc1,CID653356,,,,,,,0.0,,,,,,0.0,,,,0.0
S=c1[nH]nc(CSc2nc3ccccc3s2)n1C1CCCCC1,CID1410147,,,,,,,,,,,,,,,0.0,,
Cc1c(C(=O)NNS(=O)(=O)c2ccccc2Cl)sc(=S)n1C,CID1977398,,,,,,,,,,,,,,0.0,,,
O=C1Cc2ccccc2C(=O)N1Cc1ccccc1,CID272514,,,,,,0.0,,,0.0,,0.0,,,0.0,,,
O=C(CSCSCC(=O)NCC1CCCO1)NCC1CCCO1,CID2999886,0.0,,,,0.0,,0.0,,,0.0,,,,,,0.0,
CCn1c(SCC(=O)N(Cc2ccccc2)C2CCS(=O)(=O)C2)nc2ccccc2c1=O,CID2999884,,,,,0.0,0.0,,,,,0.0,,0.0,0.0,,,0.0
CCCCn1c(=O)n(CC(=O)Nc2ccc(C)c(Cl)c2)c(=O)c2c1ncn2Cc1ccco1,CID2999883,,,,,,,0.0,,,,,,0.0,,,,
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSc1cccc[n+]1[O-],CID2999880,,,0.0,,0.0,,,0.0,,0.0,0.0,0.0,0.0,,,0.0,
Cc1c(-c2cc[n+]([O-])cc2)oc2ccc(Br)cc2c1=O,CID2538367,,,,,,,,,,,,,,,0.0,,
O=c1nc(N2CCc3ccccc32)[nH]c2c1CCCC2,CID1853450,,0.0,,0.0,,,0.0,,0.0,,,0.0,,,,0.0,
Cc1cc(-c2ccccc2)nc2[nH]n(-c3ccccc3)c(=O)c12,CID2355650,,,,,,,,,,0.0,0.0,0.0,,,,,
CCCc1cc(C(=O)N/N=C/c2ccc(CC)s2)c2ccccc2n1,CID1226381,,,,,,0.0,,,,,,0.0,,,,,
Cc1cc(C)c2c(n1)sc1c(N3CCOCC3)ncnc12,CID736554,,,,,,,,0.0,,0.0,,,,,,,
Cc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc(F)cc3)cc2)no1,CID3107108,,,,,,,,,,,,,,,0.0,,
Cn1c(=O)c2c(ncn2Cc2cc(-c3ccccc3)no2)n(C)c1=O,CID1257284,,,,0.0,,,,,,,,,,,,,
O=C(COC(=O)c1ccc[nH]c1=O)c1ccc(Cl)s1,CID2104654,,,,,,,,,,,,,,,,,0.0
Cc1cnc(C(=O)OCC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cn1,CID2104657,,,,,,,0.0,,,,0.0,0.0,,,,,
Cc1nnc(SCC(=O)NCCN2C(=O)CSC2=O)s1,CID2104656,,,,,0.0,,,,0.0,,,,,,,,
O=C(Nc1nc2ccc(S(=O)(=O)N3CCCCC3)cc2s1)c1cccnc1,CID1265057,,,,,,,,,,,0.0,,,,,,
CCOc1ccc(OCc2ccc(C(=O)NCc3ccncc3)o2)cc1,CID2166338,0.0,,,,,,,,0.0,0.0,,,,0.0,,,
CC(Nc1nc(N2CCCC2)nc2ccccc12)c1ccccc1,CID2949965,,,0.0,0.0,,,0.0,0.0,,,0.0,0.0,0.0,,,,
S=C(Nc1cccc2ccccc12)N1CCN(c2ncccn2)CC1,CID970214,,,,,,0.0,,,,,,,,,,,
Cc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)c1ccc2c(c1)OCCO2,CID2998138,,,,,,0.0,,,,,,,,,,0.0,
Cc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccccc1,CID1616902,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)cc(N(C(=O)Cc2cccs2)C(C(=O)NC2CCCC2)c2ccc(C)o2)c1,CID3202469,,,,,,,,,,,,0.0,,0.0,,,
CN1CCN(C(=O)NC2CCCN2S(=O)(=O)c2ccc(Cl)cc2)CC1,CID2998136,0.0,,,0.0,0.0,,,,,0.0,,0.0,,,,,0.0
CC(C)Cn1c(O)cc(=O)nc1SCC(=O)NC1CCCc2ccccc21,CID2998131,,0.0,,,0.0,0.0,,,,,,,,,,0.0,
c1ccc(N2CCN(c3cnccn3)CC2)nc1,CID2998130,,0.0,0.0,,,,,,,,,0.0,,,,,
Cc1cc(C)n(-c2ccc(Cl)c(C(=O)OCC(=O)N3CCCCC3C)n2)n1,CID2998133,0.0,,,,,,0.0,,,,,,,,,0.0,
CC(c1ccco1)N(C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccn1,CID2998132,,,,,0.0,,,,,,0.0,0.0,,,0.0,0.0,0.0
CCOC(=O)/C=c1\s/c(=C\c2ccc3c(c2)OCCO3)c(=O)n1CC(=O)NCC1CCCO1,CID2999261,,0.0,,,0.0,,,0.0,,0.0,,,0.0,,,,
CCN(CC(=O)NCc1ccc(F)cc1)CC(O)COCc1cccc(OC)c1,CID2999264,,,0.0,,,,,,,,,,,,0.0,,
O=C(CN1CCOCC1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1,CID2999269,0.0,,,,,,,,,,,,,,,,
S=c1nc[nH]c2c1[nH]c1ccccc12,CID814519,,,,,,,,,,,,,,0.0,,,
COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2C1c1ccc(OC)cc1,CID4414752,,,,,,,,,,,,,,,0.0,,
CCOC(=O)N1CCN(C(=O)C2CCC(Cn3c(=S)[nH]c4ccccc4c3=O)CC2)CC1,CID2952870,,,0.0,0.0,,,,,,,,,0.0,,,,
CCOC(=O)Cc1csc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)n1,CID5307255,,,,,,,,,,,,,,,,0.0,
Cn1c(Cn2nnc3ccccc32)nnc1SCC(=O)NCc1ccc2c(c1)OCO2,CID646219,0.0,,,,0.0,,,,,,0.0,,,,0.0,0.0,
COC(=O)C1CCN(c2ccc(Cl)nn2)CC1,CID2763914,,,,,,,,,,,,,,,0.0,,
CC(C)(C)NC(=O)C(c1ccccn1)N(C(=O)C1CSC(=O)C1)c1ccc(F)cc1,CID3227524,,,,,,,,,,0.0,,,,,,,
O=C(CCn1c(=O)[nH]c2ccccc2c1=O)NCCCN1CCN(c2cccc(Cl)c2)CC1,CID3237576,0.0,,,,0.0,,,,,,,,,,,,
CN1C(=O)c2ccccc2C(C(=O)NCCCN2CCCC2)C1c1c[nH]c2ccccc12,CID3237574,,,0.0,,,,,0.0,0.0,0.0,0.0,,0.0,,,0.0,0.0
c1ccc(CSc2nnnn2-c2cccc3ccccc23)nc1,CID580005,0.0,,,,0.0,,,,,,0.0,,,,,0.0,
O=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)N1CCCC1,CID1314518,0.0,,0.0,,0.0,,,,,0.0,0.0,,,,,0.0,
CCOC(=O)C1(CCOc2ccccc2)CCN(CCCn2cccn2)CC1,CID16188898,,,,,,,,,,,,,,0.0,,,
Cc1nnc(NC2=NCCC2)o1,CID2123624,,0.0,0.0,0.0,,,,,,,,0.0,0.0,,,,
CC1=C/C(=C2/C=C(C(F)(F)C(F)F)NC(c3ccccc3)=N2)C(=O)C=C1,CID5811539,,,,,,,,,0.0,,,,,,,,
O=C(CN1CCc2[nH]c3ccccc3c2C1)N1CCCCC1,CID660587,,,0.0,0.0,,,,,,,,0.0,,,,,
COc1cc2[nH]c(CN3CC=C(c4ccccc4)CC3)nc(=O)c2cc1OC,CID2092851,0.0,0.0,1.0,,,,,,,,,,,,,,0.0
Cc1c(NC(=O)/C=C/c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(=O)n(-c2ccccc2)n1C,CID2092858,,,,,,,,,,,,,,0.0,,,
COc1ccc(NC(=O)c2ccccc2NC(=O)COc2ccccc2)cc1,CID1314515,,,,,,,,,,0.0,,,,,,,
O=C(Cc1ccccc1)NCCn1ccc2ccccc21,CID4064595,,,,,0.0,,,,,,,,,,,,
c1ccc(Cn2c(CNc3nc4ccccc4n3CCN3CCOCC3)nc3ccccc32)cc1,CID658809,,,,,,,,,,,,,,,,0.0,
COC(=O)c1sc2nc(N3CCCCC3)c3c(c2c1N)CC(C)(C)N(C)C3,CID658805,,,,0.0,,,0.0,,,,,,,,,,
c1ccc(-c2csc(N3CCCCCC3)n2)cc1,CID976214,,,0.0,0.0,,,,,,,0.0,,0.0,,,,
O=C(c1ccccc1-c1ccccc1)N1CCCC1,CID976217,,,,,,,,,,,,,,,,,0.0
c1ccc(-c2ccccc2-c2nc(-c3cccnc3)no2)cc1,CID976211,,0.0,0.0,,,,,,,,,,,,,,
CCOC(=O)C1=C(Nc2cccc3ccccc23)SCC1=O,CID776949,,,,,,,,,,,,,,0.0,,,
O=C(NCc1ccccn1)c1ccc(N2CCCC2=O)cc1,CID3245589,,,,,,,0.0,,,,,,,,,,
CCN(CC)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCCN3CCCCCC3)c(=O)c2c1,CID3245582,,,,,0.0,,,,,,,,,,,,
Cc1n[nH]c(C)c1S(=O)(=O)N1CCOCC1,CID3245583,,,,0.0,,,,,,,,,0.0,,,,
COc1ccc(C2Sc3nncn3N2Cc2ccc(C#N)cc2)cc1,CID3245587,0.0,,,,0.0,,,,,,,,,,,0.0,
Cc1onc(-c2ccccc2)c1C(=O)N/N=C/C(Br)=C/c1ccccc1,CID1019711,,,,,,,,,,,,,,,0.0,,
COC(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCCC2,CID1245066,,,,,0.0,,0.0,0.0,,,,,,,0.0,0.0,
Cc1ccc(C(=O)Oc2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)cc1,CID2888556,,,,,,0.0,,,,,,,,,,,
O=C(Nc1sccc1C(=O)NCc1ccco1)c1cccnc1,CID1245068,0.0,0.0,,0.0,0.0,,,,,,0.0,,,0.0,,,
CCOC(=O)c1ccc(N2N=C(C)/C(=C/C=C/c3ccco3)C2=O)cc1,CID5433386,,,,,,,,,,,,,,0.0,,,
CCOC(=O)N1CCN(C(=O)Cc2cccc3ccccc23)CC1,CID2064076,,,,,,,,,,,,,,0.0,,,
Cc1cccc(NC(=O)c2cc(=O)c3ccccc3o2)n1,CID2312902,,,,,,0.0,,,,,,,,,,,
NC(=O)C1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1,CID2352164,,,,,,,,,,,,0.0,,,,,
O=C(CS(=O)(=O)Cc1ccccc1)Nc1ncccn1,CID977564,,,,0.0,,,,,,,,0.0,,,,,0.0
O=C(CSc1ncn(-c2ccccc2)n1)N1CCc2ccccc21,CID977561,,0.0,0.0,0.0,0.0,,0.0,0.0,,,,,,,,0.0,
N#Cc1ccc(COc2nc3ccccc3nc2N2CCOCC2)cc1,CID5115193,,,,,,,,,,,,,,,0.0,,
Cc1cc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)no1,CID804748,,,,,,0.0,,,,,0.0,0.0,,,,,
CC1(C)OC1COc1c2ccoc2cc2oc(=O)ccc12,CID160544,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)n(CCNCc2c(C(=O)N3CC(C)OC(C)C3)nc3ccc(Cl)cn23)n1,CID16191788,,,,,,,,,,,,,,,0.0,,
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(O)cc3)c(=O)n2C1c1cccs1,CID2885283,,,,,,0.0,,,,,,,,,,,
CCOC(=O)Cn1c(C)nc2c(C(=O)OCC)sc(C)c2c1=O,CID878399,,,,,,,,,,,,,,,,0.0,
O=C(COC(=O)CCc1nc2ccccc2s1)Nc1ccc(Cl)cn1,CID4220641,,,,,,,,,,,,,,0.0,,,
CN(Cc1nnc(SCC(=O)NCCc2ccccc2)n1C)S(=O)(=O)c1ccccc1,CID990860,,0.0,,0.0,0.0,,0.0,,0.0,,0.0,,0.0,0.0,,0.0,
CSc1nnc(-c2cc(C)on2)n1-c1ccccc1,CID1228907,,,,,,,,,,,,,,,0.0,,
CC1=NNC(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1,CID5508807,,,,,,0.0,,,,,,,,,,,
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3nc(NC4CCCC4)c4ccccc4n3)CC2)cc1,CID2933833,0.0,,0.0,,,,,,,,0.0,,,,,,
O=C(CN1C(=O)NC2(CCCCCC2)C1=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1,CID2099570,,,,,,,,,,,,0.0,,,,,
O=C(c1ccncc1)N1CCN(C(=O)c2ccco2)CC1,CID776707,,,,,,,,0.0,,,,,,,,,
CC(C)CCNC(=O)C(c1cccnc1)N(CCc1ccccc1)C(=O)Cn1nnc2ccccc21,CID3198498,,,,,,,,,,,,0.0,,,,,
O=C(O)c1cc(-c2ccncc2)nc2ccc(S(=O)(=O)N3CCOCC3)cc12,CID3236234,,,0.0,,,,,,,,,,,,,,
O=C(CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(Cc1ccccc1)C(=O)O,CID16066615,,,,,,,,,,,,,,,0.0,,
Cc1ccc(S(=O)(=O)c2nc(Nc3nccs3)sc2Cl)cc1,CID2136921,,,,,0.0,,0.0,,0.0,,,,,,0.0,,
O=C1CCCCCN1C(=O)c1cccc(C(=O)N2CCCCCC2=O)c1,CID81857,,,,,,,,,0.0,0.0,,,0.0,0.0,,,0.0
c1ccc(Nc2nc(N3CCCCC3)nc(N3CCNCC3)n2)cc1,CID801091,,,,,,,,,,,,,,,,0.0,
O=C(Cc1nn[nH]n1)NCc1ccccc1Cl,CID3244878,0.0,,,,,,,,,,,,0.0,,,0.0,
COc1ccc(NC(=O)COc2nc(N(C)C)nc(N(C)C)n2)cc1,CID845247,,0.0,,0.0,,,0.0,0.0,,,,,0.0,,,,0.0
O=C1CC(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1,CID2828935,,,,,,,,,,,,,,,0.0,,
O=C(c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1)N1CCCCC1,CID893088,0.0,0.0,0.0,,,,,,0.0,,,,,,,,
COc1ccccc1OCc1ccc(C(=O)NCc2ccco2)o1,CID893083,,,0.0,,,,,,,,,,0.0,,,0.0,0.0
COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cc(C)on4)cc3n2)cc1OC,CID1257184,,,,,0.0,,,,,,,,,,,,
O=C(Nc1ccccc1C(=O)OCc1nnc(-c2ccccc2)o1)c1ccco1,CID2080422,0.0,,,0.0,,0.0,0.0,,0.0,0.0,,,0.0,,,,
COc1ccc(CNCCc2ccc(Cl)cc2)cc1OCc1ccccc1,CID2169083,,,,,,,,,,,,,,,0.0,,
Nn1c(CSc2nc3ccccc3o2)nnc1CSc1nc2ccccc2o1,CID3244872,,,,,0.0,,,,,,,0.0,,,,0.0,
Cc1ccc2c(c1)c1c(n2CC(O)Cn2c(C)nc3ccccc32)/C(=N/O)CCC1,CID3245918,,,0.0,,,,,,,,,,,,,,
CCCCN(C)C(=O)c1oc2ccc(S(=O)(=O)N3CCCCCC3)cc2c1C,CID3245915,,,,,,0.0,,,,0.0,,,,,,,
O=C1c2ccccc2C(=O)N1CCCOCc1c[nH]c(=O)[nH]c1=O,CID373127,,,,,,,0.0,0.0,,,,,,,,,
Cc1nc2ncnn2c(C)c1CCC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1,CID3245911,,0.0,,,0.0,,,0.0,,,,,,,0.0,0.0,
CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C/Nc1cccc2nsnc12,CID16193922,,,,,,,,,,,,,,,0.0,,
S=c1[nH]cc(-c2ccccc2)n1-c1ccccc1,CID807871,,,,,,0.0,,,,,,,,,0.0,,
CCCCN1c2ccccc2N(CCCO)c2cc(C)nnc21,CID6400941,,,,,,0.0,,0.0,,,,,,,,0.0,0.0
O=C(NCc1cccnc1)/C(=N\O)c1ccccc1,CID6400948,,,,,,0.0,0.0,,,,,,,,,,
O=C(NCCc1ccccc1)/C(=N\O)c1ccccc1,CID6400949,,,,,,,,0.0,,,,,,,,,
O=C(COC(=O)/C=C/c1ccco1)NCc1ccc2c(c1)OCO2,CID6082067,,,,,,,,,,,,,,,0.0,,
Cc1ccc2nc(N3CCN(Cc4nnnn4C4CCCC4)CC3)c(C#N)cc2c1,CID3214085,,,,,,,,,,,,,,,0.0,,
C=C(C)c1cccc(C(C)(C)NC(=O)Nn2cnnc2)c1,CID2312128,0.0,0.0,,0.0,,0.0,0.0,,,,,0.0,,,,,
O=C(COc1ccccc1)Nc1ccccc1NS(=O)(=O)c1cccs1,CID2323632,,,,,,,,,,,,,,,0.0,,
COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCN2CCCCC2)c(OC)c1,CID2940376,,,,,,0.0,,,,,,,,,,,
COc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=O)c1cccnc1,CID1254455,,,,,,0.0,,,,,,,,0.0,,,
CC(C)Cc1cc(C(=O)NCCN2CCOCC2)no1,CID5307969,,0.0,,,,,,,,,,,,,,,
COc1ccccc1-n1c(O)cc(=O)nc1SCC(=O)Nc1cccc2ccccc12,CID1379260,,,,,,0.0,,,,,0.0,,,,,,
O=C(CSc1nc(=O)c2c([nH]1)CCN(Cc1ccc(F)cc1)C2)Nc1ccc(F)cc1,CID2141151,,,,,,,,,,,,,,0.0,,,
CC1CCCC/C1=N\NC(=S)Nc1ccccc1,CID4589550,,,,,,,,,,,,,,,0.0,,
COc1ccc(Nc2nc(C)c3ccccc3n2)cc1,CID647744,0.0,0.0,0.0,0.0,,,,0.0,,,0.0,,0.0,,,0.0,
O=C(NC1CC2CCCC(C1)N2Cc1ccco1)NC12CC3CC(CC(C3)C1)C2,CID647745,0.0,,,,,0.0,,0.0,,,,,,,,0.0,0.0
Cc1ccc(NC(=O)c2ccc(Nc3ccccc3F)nc2)cc1,CID1432034,,,,,,,,,,,,,,,0.0,,
O=C(OCCc1ccc(SC(=O)c2ccccc2)s1)c1ccccc1,CID1115399,,,,,,0.0,,,,,,,,,,,
Cc1ccc(NC(=O)CN(C)C(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1,CID2460559,,,,,,,,,,,,,,0.0,,,
O=C(c1ccco1)N1CCN(C(=O)N2CCOCC2)CC1,CID711266,,,,,,,,,,,,0.0,0.0,,,,
CCNc1nc(OC)nc(N2CCC(Cc3ccccc3)CC2)n1,CID4455754,,,,,,,,,,,,,,,0.0,,
Cc1noc(C)c1COC(=O)c1cc2c(C)nn(-c3ccc(F)cc3)c2s1,CID2102550,0.0,,,,0.0,,,0.0,,,,,0.0,,,0.0,0.0
O=S(=O)(c1cccs1)N1CN(Cc2cccs2)c2nc3ccccc3nc21,CID664525,,,,,0.0,,,,,,,,,,,,
c1ccc(CNc2ncnc3c2oc2ccccc23)nc1,CID2330337,,,,,,0.0,,,,0.0,0.0,0.0,,0.0,0.0,,
O=C1CC(N2CCC(O)(c3ccc(Cl)cc3)CC2)C(=O)N1Cc1ccc(N2CCCC2=O)cc1,CID2950074,,,,,,,,,0.0,,0.0,,0.0,,,0.0,
COc1ccc(CNC(=O)c2c(C)nc3ccccn23)cc1,CID1073190,,,,,,,,,0.0,,,,,,,,
O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl)NCc1ccccn1,CID1252473,0.0,0.0,0.0,0.0,0.0,,,,0.0,,,0.0,,,,,
Cc1nnsc1C(=O)NC(C)C12CC3CC(CC(C3)C1)C2,CID2851300,,,,,,0.0,,,,,,,,,,,
COc1cc(/C=N/NC(=O)Nc2ccccc2)ccc1OCCOc1ccccc1C,CID2199395,,,,,,,,,,,,0.0,,,,,
COc1ccc(Cc2nc(-c3ccc(NC(=O)c4cccnc4)cc3)no2)cc1,CID3242078,0.0,,,0.0,,,,,,0.0,0.0,,,,,,
O=c1c2c3c(sc2nc2n1CCC2)CCC3,CID615939,,,,,,,,,,,,0.0,0.0,,,,
Cc1cc(=O)n2c(c1C#N)SC1CCCCC12O,CID535431,,,,0.0,,,,,,,,,,0.0,,,
O=C(NCc1ccccn1)c1cccn1-c1ncc(C(F)(F)F)cc1Cl,CID3839471,,,,,,,,,,,,,,0.0,,,
COc1ccccc1-c1nc(C#N)c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)o1,CID664380,0.0,,,,,,0.0,,,,,,,,,,
Cn1nc(-c2ccc(OCC(=O)N3CCN(Cc4ccccc4)CC3)cc2)c2ccccc2c1=O,CID664386,0.0,,,0.0,,,,,,,0.0,0.0,,,,,
N/C(=N\c1nc2ccccc2o1)NC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O,CID5727370,,,,,,,,0.0,,0.0,,,,,,,
Cc1ccc(NC(=O)C2(NC(=O)c3cccc(N4C(=O)CSC4c4ccccc4)c3)CCCCC2)cc1,CID3890901,,,,,,,,,,,,,,,0.0,,
Cc1ccc(S(=O)(=O)N(C)CCCC(=O)N2CCOCC2)cc1,CID1953555,,0.0,,,,,,,,,,,0.0,,,0.0,
Cn1c(Br)nc2c1c(=O)n(CC(O)COc1ccccc1)c(=O)n2C,CID665650,0.0,,,,,,0.0,,0.0,,,0.0,,,,0.0,0.0
COc1cc2c(cc1OC)-c1cc(Nc3ccc4c(c3)OCCO4)nc(=O)n1CC2,CID665653,,,,,,,0.0,,,,,,,,,,
CCOC(=O)c1[nH]c(CSc2nnnn2-c2ccccc2C)c(C(=O)OCC)c1C,CID2411498,0.0,,0.0,0.0,,,,,,,,,,,,0.0,
Cc1ccc(S(=O)(=O)Cn2nnnc2CN2CCCC3(CCCCC3)C2)cc1,CID648032,0.0,,,0.0,0.0,,,,,,,,,,,,
Cc1cc(NC(=O)Cn2nc(-c3ccccc3F)ccc2=O)ccc1-n1cnnn1,CID648035,,,,,,,,,,,,,0.0,,,,
O=C(c1cc2ccccc2oc1=O)N(Cc1ccco1)CC1CCCO1,CID648034,,,,,,,0.0,,,,,,,,,,0.0
Cn1c(COc2ccccc2)nnc1SCCSc1nnc(COc2ccccc2)n1C,CID648037,,,,,,,,,,,,,,,,,0.0
O=C(Nc1cccc2ccccc12)c1ccc(S(=O)(=O)N2CCOCC2)cc1,CID1355739,,,,,,0.0,,,,,,,,,,,
Cc1cc(=O)oc2ccc(OCC(=O)N(Cc3ccc(F)cc3)Cc3ccco3)cc12,CID1291811,,,,,,,,0.0,,,,,,,,,
O=[N+]([O-])c1ccc(-c2ccc(/C=N/Nc3nc(N4CCCCC4)nc(N4CCCCC4)n3)o2)cc1,CID2851498,,,,,,,,,,,,,,0.0,,,
O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1ccc(S(=O)(=O)N2CCCCC2)cc1,CID1355735,,,,,,0.0,,,,,,,,,,,
O=C(c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1)N1CCCC1,CID1050335,,,,,,0.0,,,,,,,,,,,
CN1CC(=O)N(C)c2ncn(Cc3ccccc3)c2C1=O,CID362128,,,0.0,0.0,,,,0.0,0.0,,,,0.0,,,,
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccc(-c2cccc(C(=O)O)c2)o1,CID1131425,,,,,,0.0,,,,,,,,,,,
O=C(c1ccccc1F)N1CCN(CC2CC3C=CC2C3)CC1,CID2878491,,,,,,,,0.0,,,,,,,,,
O=S(=O)(CCSc1nc2ccccc2o1)Cc1ccccc1,CID894278,,,0.0,,,,0.0,,0.0,0.0,,,0.0,0.0,,,0.0
O=C(c1cc2ncc(Br)cn2n1)N1CCN(C(=O)c2ccco2)CC1,CID2237247,0.0,,,,,,,,1.0,,,,,,,,0.0
O=C(Nc1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccc2ccccc2n1,CID2576894,,,0.0,0.0,0.0,,0.0,,,,,,0.0,,,0.0,0.0
CCOc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1,CID3331081,,,,,,,,,,,,,,,0.0,,
Cc1cc(OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c2c3c(c(=O)oc2c1)CCC3,CID662982,,,0.0,,0.0,,,,0.0,0.0,0.0,,0.0,,,,
CCOc1cc(N2C(=O)CC3CS(=O)(=O)CC32)c(OCC)cc1NC(=O)c1ccccc1,CID3236975,,,,,0.0,,,0.0,,,,,,,,0.0,
O=C(Cn1cnc2c(oc3ccccc32)c1=O)NCc1ccco1,CID3236976,,,,,,,,,,,,,0.0,,,,0.0
CCOc1ccccc1CNS(=O)(=O)c1ccc2[nH]c(=O)sc2c1,CID3236973,,,,,0.0,,,,,0.0,0.0,,0.0,,,,
OCCNc1cc(-n2nc(-c3ccccc3)cc2-c2ccccc2)ncn1,CID3236972,,,0.0,,,,,,,,0.0,,,,,,0.0
O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc(C(=O)NC2CC2)cc1)NCc1ccco1,CID3236978,,,0.0,,,,0.0,,,,,,,,,,0.0
Cc1ccc(S(=O)(=O)C2CCOC2=O)cc1,CID2947420,,,,,,,,,0.0,,,,,,,,
COc1ccc(OCC(=O)N/N=C(\C)c2cc3ccccc3o2)cc1,CID4073357,,,,,,,,,,,,,,,0.0,,
CN1C(=O)C(=CNc2ccccn2)C(=O)N(C)C1=O,CID5677299,,,0.0,,,,,,,,,,0.0,,,,
O=c1cc(Cn2ccnc2)c2cc3c(cc2o1)CCC3,CID667147,,,,,,,0.0,,0.0,0.0,,,0.0,0.0,,,
Cc1cc(C)c2c(n1)nn1c(C3CC3)cc(C(F)(F)F)nc21,CID3245884,,,,,0.0,,,,,,,0.0,,,,,
COC(=O)c1ccc(CSC2=NCCS2)cc1,CID591202,,,,,,,,,,,,,,0.0,,,
COc1ccccc1C1(O)CCN(CC(=O)Nc2c(C)nn(C)c2C)CC1,CID648110,0.0,,0.0,,,0.0,,0.0,,,0.0,,,,,,0.0
COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1NC(=O)Cn1nc(-c2ccccc2)c2ccccc2c1=O,CID1863987,,,,,,,,,,,,0.0,,,,,
CCOC(=O)NC1(Nc2ccc(C)cc2)Oc2ccccc2O1,CID680713,,,,,,,,,,,,,,0.0,,,
O=c1cc(CSc2nnnn2-c2ccccc2)nc2scc(-c3ccccc3)n12,CID2415764,0.0,,,,,,,,,0.0,,0.0,0.0,,,,0.0
O=C(Nc1ccc(SC(F)F)cc1)C1=COCCO1,CID2314696,,,,,,,0.0,,,,,,,,,0.0,0.0
O=C1CCC(=O)N1CNc1ccccn1,CID659627,,0.0,,,,,,,0.0,,,,,,,,
COC(=O)c1ccsc1NC(=O)c1ccc2c(c1)OCCO2,CID5310252,,,,,,,,,,,,,0.0,,,,
CC(=O)Nc1nc2cc3c(cc2s1)OCO3,CID5310257,,,,,,,,,,,,0.0,0.0,,,,
CCn1cc(C(=O)NCc2ccco2)c(=O)c2cc(F)c(N3CCN(C(=O)c4ccco4)CC3)cc21,CID658395,,,,,,,,,,,,,0.0,,,,
Fc1ccc(Br)cc1C1C=C(c2cccnc2)N=C2N=CNN21,CID5308066,0.0,,,,,,,,,,,,,,,0.0,
Cn1c(C(=O)N2CCN(C3CCCCC3)CC2)cc2c(=O)n(C)c3ccccc3c21,CID5308065,0.0,0.0,,,,,,,,,,,,,,,
CCc1c(C)[nH]n(-c2ccc(Oc3ccccc3)c(S(=O)(=O)O)c2)c1=O,CID2193708,,0.0,,0.0,,0.0,,,,,,0.0,,0.0,,0.0,
O=C(CN1CCOCC1)OCCCC1CCCCC1,CID658399,,,0.0,0.0,,0.0,0.0,,,0.0,,,0.0,,,,
CC(CN1CCNCC1)(NS(=O)(=O)c1ccccc1)c1ccccc1,CID5007390,,,,0.0,0.0,,,0.0,,,0.0,,0.0,,,,
O=C(CCN1C(=O)c2ccccc2C1=O)OCn1nnc2ccccc2c1=O,CID2549728,,,,,,,,,,,,,,0.0,,,0.0
CCN1CCc2c(C#N)c(N3CCOCC3)nc(N3CCOCC3)c2C1,CID627101,,,,,,,,,,0.0,,,,,,,
CN(C)S(=O)(=O)c1cccc(NC(=S)NC(=O)C2CCCCC2)c1,CID3354187,,,,,,,,,,,,,,,0.0,,
COc1ccc(Cl)cc1NC(=O)CN(C(=O)c1ccco1)C1CCCCC1,CID645744,,,0.0,,,0.0,,0.0,,,,,,,,,0.0
COc1ccc(N2C(=O)CC(NC3CC3)C2=O)cc1,CID645745,,,0.0,0.0,,,0.0,,,,,,,,,,
OC1(c2cccc(F)c2)CCN(Cc2ccncc2)CC1,CID645747,,,,,,,,,,,0.0,,,,,,
Cc1ccc(Cn2cccc(NC(=O)c3ccco3)c2=O)cc1,CID645740,0.0,,,,,,,0.0,0.0,,,0.0,0.0,,,,
c1ccc(-c2nnc(-c3ccco3)n2-c2ccccc2)cc1,CID645741,0.0,0.0,,0.0,,,0.0,,,,,,,,,,
CCOC(=O)c1cc2sc(C)cc2n1CC(=O)NCc1ccc(F)cc1,CID645743,,,,,,,0.0,,,,,,,,,,0.0
Cn1ncc2[nH]cnc(=O)c21,CID658577,0.0,0.0,,,,,,,,,,,,,,,
CCCCc1nc(NCCNC(=O)c2ccco2)c(C#N)c2c1CSC(C)(C)C2,CID658576,,,,0.0,,,0.0,,,,0.0,,0.0,,0.0,,0.0
O=C(Nc1ccccc1)N1CCCC(c2nc(-c3cccs3)no2)C1,CID650702,0.0,,,0.0,,0.0,,0.0,,,,,0.0,,,0.0,
O=C(CS(=O)CC(=O)N(CC(=O)NC1CCCC1)C1CCCCC1)Nc1ccc(F)cc1,CID650700,,,,,0.0,0.0,0.0,,,,,,,,,,
CCCCN(C(=O)CN1CCOCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O,CID2549186,,,,,,,,,,,,,,,0.0,,
Cc1ccc(S(=O)(=O)NC2=NCN(C3CCN(Cc4ccccc4)CC3)CN2)cc1,CID650705,,,,,0.0,,,,,,0.0,,,,,0.0,
O=C(NCc1ccc(N2CCCC2=O)cc1)c1cn(Cc2ccccc2)nn1,CID648840,,,0.0,0.0,,,,0.0,,,0.0,,,,0.0,,0.0
NC(=O)CSc1nnc(-c2ccoc2)o1,CID648841,,0.0,,,,,,0.0,,,,0.0,,,,,
CCOc1cc(NC(=O)C2CC2)c(OCC)cc1NC(=O)c1cccnc1,CID648842,,,,,,,,0.0,0.0,,,,0.0,,,,
O=C1OC2(c3ccccc3)C3CCCC2C13,CID648845,,,,,,,,0.0,,,0.0,,,,0.0,,
O=C(c1cnsn1)N1CCN(c2ccccn2)CC1,CID977019,,0.0,0.0,0.0,,,,,,,,,,,,,
O=C1c2ccccc2C(=O)c2c1cccc2N1CCN(CCO)CC1,CID2889110,,,,,,0.0,,,,,,,,,,,
Cc1cccc(-n2ncc3c(NC4CCCCC4)ncnc32)c1,CID866420,,0.0,0.0,,,,,0.0,,,0.0,,,,0.0,,
Cn1cccc1/C=C1\SC(=O)N(c2ccc(O)cc2)C1=O,CID2002453,,,,,,,,,,,,,,,0.0,,
Cc1nn(CC(=O)NCc2cccc3ccccc23)c(=O)c2ccccc12,CID1448428,,,,,,,,,0.0,,,,,,0.0,,
O=C1c2cccc(OCC(=O)N3N=C(c4cccs4)CC3c3ccc(F)cc3)c2CCN1Cc1cccnc1,CID4168394,,,,,,,,,,,,,,0.0,0.0,,
Nc1c(N2CCCCC2)c(=O)[nH]c(=O)n1-c1ccccc1,CID662455,,0.0,,,,,0.0,,,,0.0,,,,,0.0,
COCc1c(C(=O)OCc2nc(N)nc(Nc3ccccc3C)n2)oc2ccccc12,CID2553426,,,,,,,,0.0,,,,,,,,,
CC(=O)c1ccc(-c2ccc(C(=O)N3CCCc4ccccc43)o2)cc1,CID2576069,,,,,,,,,,,,,,0.0,0.0,,
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1ccco1,CID765951,,,,,,0.0,,,,,,,,,,,
Cc1ccc(CN(C(=O)Cn2nnc3ccccc32)C(C(=O)NCc2ccco2)c2ccc(C)o2)cc1,CID3206165,,,,,,,,,,0.0,,,,,,,
COC(=O)c1ccc(NC(=O)COC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)cc1,CID2105088,,,,,,,,,,,,,,0.0,,,
Cc1ccc(NC(=O)NC(=O)CSc2nnnn2C)c(C)c1,CID2630094,,,,,0.0,,0.0,,,,,,0.0,,,,
CN1CCCC(OC(=O)c2cc(Cl)ccc2Cl)C1,CID2998078,,,,0.0,,,,,,,,,,,,,
CC(C)C1OC(NC(=O)Nc2ccc(Cl)c(Cl)c2)=NC1=O,CID2998071,0.0,,,,,,0.0,,,,,,,,0.0,,0.0
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OC1CCOC1=O,CID2998073,,,,,,,,,,,,,0.0,,,,
CC(C(=O)N(C1CC1)C1(C(=O)Nc2ccccc2)CCCC1)N1C(=O)c2ccccc2C1=O,CID2998077,0.0,,,,0.0,,,,0.0,0.0,,,,,,,
O=C(CNC(=O)C1CCCCC1)NC1=NCCS1,CID800434,,0.0,0.0,,0.0,0.0,,0.0,,,,,,,,,
O=C1CCCCCN1Sc1ccccc1,CID118982,,,0.0,,0.0,0.0,0.0,,,,0.0,,0.0,,,,
CC12CCC(=O)N1c1ccccc1C(=O)N2c1ccccc1,CID2973158,0.0,,0.0,,0.0,,0.0,0.0,,,,,,,,0.0,
CCCCS(=O)CC(COCc1ccccc1)OC(=O)CSc1nc(C)cc(C)n1,CID2924584,,,,,0.0,0.0,,,,,,,,,,,
Cc1cc(=O)oc2c(CN(C)Cc3ccccc3)c(O)ccc12,CID5391089,,,0.0,,,,,,,0.0,,0.0,0.0,,0.0,,
C=CCSc1nnc2c(n1)OC(c1c(C)[nH]n(-c3ccccc3)c1=O)Nc1ccccc1-2,CID2896205,,,,,,0.0,,,,,,,,,,,
O=C(Cn1c(S(=O)(=O)Cc2ccccc2)nc2ccccc21)N1CCCCC1,CID1086723,,,0.0,,,,,0.0,,,,,0.0,,,0.0,0.0
CCOC(=O)c1cc2c(N)c(C(=O)c3ccc(Br)cc3)sc2[nH]c1=O,CID1548693,,,,,,,,,,,,,,0.0,,,
CCOC(=O)N1CCN(S(=O)(=O)c2cc(Br)cnc2N)CC1,CID3236503,0.0,,,,,,,,0.0,,,,,,,,
Cc1cc(C)nc(NC(=O)Cc2cccs2)n1,CID646401,,,,0.0,,,,,,,0.0,,0.0,,,,0.0
COc1ccc(/C=N/n2c(C)nc3sc(C)c(C)c3c2=O)cc1OC,CID997200,,,,,,,,,,,,,,0.0,,,
O=C(Cn1ncc2ccsc2c1=O)N1CCC2(CC1)OCCO2,CID3245287,,0.0,,,,,,,,,,,,,,,
O=C(CCNS(=O)(=O)c1cccs1)N1CCCCCC1,CID3245282,,,,,,0.0,,,,,,,,,,,
Cn1c(C(=O)O)c(CC(=O)NCC2COc3ccccc3O2)c2ccccc21,CID3245288,,,,,,,0.0,,,0.0,,,,,,,
COc1ccc(N2Cc3cccc(C(=O)N4CCN(C(=O)c5ccco5)CC4)c3C2=O)cc1,CID5307358,0.0,,,0.0,,,,,1.0,,,,,,,,
Cc1nnc(-n2cnc3ccccc32)c2ccccc12,CID3246762,,,,,,,0.0,0.0,,,,,0.0,,,,
O=C(OCc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccncc1,CID1288496,,,,,,0.0,,,0.0,,0.0,,,,,,
CCc1c(C)sc(NC(=O)c2cc(C)no2)c1C#N,CID5307351,0.0,,,,,0.0,0.0,0.0,,,,,,,,0.0,
O=C(NCCN1CCCC1)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1S2=O,CID5307352,,,,,,,,,,0.0,,,,,,,
CC(CCc1ccccc1)NC(=O)C1CCCN(c2nnc(-n3cccc3)s2)C1,CID5307354,0.0,,,,,,,,,,,,,,,,
O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)c1ccccc1,CID5336254,,,,,,,,,,,,0.0,,,,,
O=C(N/N=C/c1sc(=O)n(-c2ccccc2)c1Cl)c1ccccc1,CID1972549,,,,,,,,,,,,,,0.0,,,
O=C1c2cccc3cccc(c23)C(=O)N1CC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,CID2891779,,,,,,0.0,,,,,,,,,,,
O=C(CS(=O)(=O)Cc1ccccc1)N1CCc2ccccc21,CID977839,,,,,,,0.0,,0.0,,,0.0,,,,0.0,0.0
CCN(CC)CCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=O)Nc1ccccc1OC,CID648310,,,,,,,,,0.0,,,,,,,,
C/C(CC(=O)NCc1ccc(Cl)cc1)=N\NC(=O)Cc1ccccc1,CID3399965,,,,,,,,,,,,,,0.0,,,
COc1ccc(/C=N/NC(=O)c2ccccc2OCc2ccccc2)c(OC)c1,CID16193458,,,,,,,,,,,,,,0.0,,,
C=CCn1c(SCC(=O)Nc2c(C)nn(Cc3ccccc3)c2C)nnc1C(O)c1ccccc1,CID2961599,0.0,,0.0,0.0,,,,,,,0.0,,0.0,,,0.0,
Cc1ccc(-c2nc3ncccn3c2NC2CCCC2)o1,CID3245469,,,,,,,0.0,,,,,,0.0,,0.0,,0.0
O=C(CNC(=O)c1ccncc1)N/N=C/c1ccccn1,CID16193456,,,,,,,,,,,,,,,0.0,,
Cc1nn(C)c(Cl)c1NC(=O)OCc1ccccc1,CID1472904,,,,,,,,,,,,,,,0.0,,
COc1cccc(CN2CCN(Cc3ccc(C)o3)CC2CCO)c1,CID16192509,,,,,,,,,,,,,,,0.0,,
CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)C1c1cccnc1,CID2963572,,,,,0.0,,,,,0.0,,0.0,0.0,,,0.0,0.0
c1ccc2c(N3CCCCC3)nc(N3CCCCC3)nc2c1,CID661947,,,,,,0.0,0.0,,,,,,,,,,
Cc1nn(CC(=O)NCCN2CCOCC2)c(=O)c2ccccc12,CID661948,,,,,,,0.0,,,,,,,,,,
c1ccc(-c2nc(N3CCOCC3)c3ccccc3n2)nc1,CID661949,,0.0,,,,,,,,,0.0,0.0,0.0,,,,
Cc1ccccc1OCc1nc2c3c(ncn2n1)-c1ccccc1CC31CCCC1,CID1989353,,,,,,,,,,,,,,,0.0,,
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)C(Cc3cccn3C)NC(C)=O)CC2)cc1,CID644800,,,,,0.0,,0.0,0.0,0.0,,,,,,,,
O=C(NCc1nnc(SCc2ccc(C(F)(F)F)cc2)n1-c1ccccc1)C12CC3CC(CC(C3)C1)C2,CID4429286,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C1=C(CNCCc2ccc(Cl)cc2)NC(=O)NC1c1ccc2c(c1)OCO2,CID2980951,,,,,,,0.0,,,,0.0,,,,,,0.0
Cc1ccc(S(=O)(=O)n2nc(-c3ccco3)nc2SCc2ccccc2)cc1,CID1287952,,,0.0,,,,,,,,,,,,,,
Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cs1,CID1245786,,0.0,0.0,,0.0,,0.0,,0.0,0.0,0.0,,,0.0,,,
CCN(CC)C(=O)N1CCN(C(=O)c2ccc(C)cn2)CC1,CID3240368,,0.0,0.0,,,,,0.0,,0.0,,,,0.0,,,0.0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(-n3cccc3)cc2)n1,CID700629,,,,0.0,,,,0.0,,,,,0.0,,,0.0,
Cn1ccnc1SC(=O)N1c2ccccc2Sc2ccccc21,CID700626,,,,,0.0,,,,,,0.0,,0.0,,,,
COc1ccc(NS(=O)(=O)c2ccc(OC)c(N(C)S(=O)(=O)c3ccc(Cl)cc3)c2)cc1,CID2974679,,,,,,,,,,,,,,0.0,,,
Cc1c(NC(=O)/C(=C\c2ccccc2)NC(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C,CID5441576,,,,,,0.0,,,,,,,,,,,
O=C(Nc1cccc2cccnc12)c1cccnc1,CID2292984,,,,0.0,,,,0.0,,,,0.0,,,,,
CC(=O)OC(C(=O)n1nc(C)cc1C)c1ccccc1,CID2932889,,,,,,,,0.0,,0.0,,,,0.0,0.0,,0.0
O=C(Nc1cccc2cccnc12)c1cccc(N2C(=O)CCC2=O)c1,CID969597,,,,,,0.0,,,0.0,,0.0,,,,,,
CCOc1ccccc1-n1c(SCC(=O)NCc2ccco2)nnc1-c1ccncc1,CID650326,0.0,,0.0,,,,,0.0,,,,,,,,0.0,
Cc1cc(C(=O)N/N=C/C=C/c2ccc3c(c2)OCO3)n[nH]1,CID11958899,,,,,,0.0,,,,,,,,,,,
O=C(Cc1ccccc1)Nc1nnc(-c2cccs2)s1,CID838737,0.0,0.0,0.0,,0.0,,,,0.0,,0.0,,0.0,0.0,0.0,,
Cc1cc(C)n(-c2c(F)c(F)c(CN3CCOCC3)c(F)c2F)n1,CID664813,,,,,0.0,,,,0.0,,,,,,,,0.0
O=C(c1cccs1)N1CCN(S(=O)(=O)N2CCOCC2)CC1,CID1256130,,,,,0.0,,,,,,,,,,,,
Cn1nnc2cc(NC(=O)NCc3ccc4c(c3)OCO4)ccc21,CID893729,,0.0,,0.0,,,,0.0,,,,,0.0,,,,
O=C(NCCc1ccccc1)c1cnn2c(C(F)F)cc(C3CC3)nc12,CID1257886,,,,,0.0,,,,,,,0.0,0.0,,,,
CCOc1ccc(CCNC(=O)CSc2cc(=O)n(CC)c3ccccc23)cc1OCC,CID12005003,,,,,,,,,,,,,,,0.0,,
Nc1ccn(C2CCC(CO)O2)c(=O)n1,CID24066,,,,,,,,0.0,,,,,,,,,
CCn1c(SCc2ccccc2Cl)nc2nc3c(cc2c1=O)CCCC3,CID1993878,,,,,,,,,,,,,,,0.0,,
O=C(Nc1cnc2sccn2c1=O)c1ccccc1Cl,CID2380034,,0.0,,,0.0,,,,,0.0,,,,,0.0,,0.0
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCC3CCCO3)c2C)cc1,CID5337390,,,,,,0.0,,,,,,,,,,,
COC(=O)c1ccc(OCc2nc(N)nc(N3CCOCC3)n2)cc1,CID729083,,0.0,0.0,,,,0.0,,,,,,0.0,,,,
CCOC(=O)Cn1nc(C)cc1NC(=O)c1ccncc1,CID1509190,,,,,,,,,,,,,,,0.0,,
CC1(C)Cc2c(sc(NC(=O)c3ccco3)c2C#N)C(C)(C)N1,CID661197,,,,0.0,0.0,,0.0,0.0,,,0.0,,,,,,
O=c1[nH]c(=O)n(C2CCCCC2)c(O)c1C1NCCc2ccccc21,CID661195,0.0,,,,,,,,,0.0,,,,,,0.0,
CC(C)CN1C(=O)c2ccc(C(=O)Nc3ccccn3)cc2C1=O,CID661199,,0.0,,,0.0,0.0,,,,,,,0.0,,,,
O=C(Nc1nnc(CCN2CCCCC2)s1)C1CCCCC1,CID665281,0.0,0.0,,,,,0.0,,,,0.0,,,,,0.0,
COc1ccc(C2CC(c3ccccc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1,CID2950007,,,,,,,,,,,,,,,0.0,,
O=C(C1CCCCC1)N1CC(=O)N2CCc3ccccc3C2C1,CID4891,,,,0.0,,,,,,0.0,,,0.0,0.0,,,
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C3CCCO3)cc2)n1,CID2862170,,,,,,,,0.0,,0.0,,,,,,,0.0
CC(C)(C)C1CCC(=NNC(=O)C(=O)NC2CCCCC2)CC1,CID3125446,,,,,,,,,,,,,,,0.0,,
COc1ccc(N2CCN(C(=O)CSc3nnnn3-c3ccc4c(c3)OCCO4)CC2)cc1,CID655703,,,,,,,,,,,0.0,,,,0.0,,
COCCN(C(=O)CCCC(=O)Nc1ccccn1)C(C(=O)NC1CCCC1)c1ccc(C)cc1,CID655702,,,,,,0.0,,,,,0.0,0.0,0.0,,,,
c1ccc(Cn2nnnc2CN2CCN(c3ncccn3)CC2)cc1,CID655709,,0.0,,0.0,0.0,,,,,,,,,0.0,,,
COc1cccc(OCc2nnc(SCC(=O)OC3CCCCC3)n2C)c1,CID655708,,0.0,0.0,,0.0,,,,,,0.0,,,,,0.0,0.0
O=C(CC1CCCCC1)Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)(=O)C2,CID3245890,,,,,0.0,,,0.0,,,,,,,,,0.0
O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)NCCCN1CCN(Cc2ccccc2)CC1,CID3245894,0.0,,0.0,,,,,,,,,,0.0,,,,
O=C(NCCN1CCCCCC1)C1CCN(S(=O)(=O)N2CCOCC2)CC1,CID3245895,0.0,,,,,,,,,,,,,,,,
CC1(C)CC(=O)c2c(n(S(=O)(=O)c3ccccc3)c3ccc(NS(=O)(=O)c4ccccc4)cc23)C1,CID1067678,,,,,,,,,,,,,,0.0,,,
Cc1cccc(-n2c(CCCN3C(=O)c4ccccc4C3=O)nc3ccccc3c2=O)n1,CID661112,0.0,,,0.0,,,0.0,,,,0.0,0.0,,,0.0,,0.0
CC(=O)c1ccccc1NS(=O)(=O)c1c(C)nn(-c2ccccc2)c1C,CID1246418,,,,,,,,,,,,,0.0,,,,
CCc1nnc(NS(=O)(=O)c2ccc(N/C=C\C(=O)c3ccc(C)cc3)cc2)s1,CID5731269,,,,,,0.0,,,,,,,,,,,
O=C(c1ccc2c(c1)OCO2)N1CCc2ccccc2C1,CID661117,,,,0.0,,0.0,,,0.0,,0.0,,0.0,0.0,,,
CCOC(=O)N1CCN(/C=C(\C#N)c2nc3ccccc3s2)CC1,CID662423,,,,0.0,,,,,0.0,0.0,,,,,,,
O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCCSCc1ccco1,CID662420,,,0.0,,0.0,,,,,0.0,,,,,,,0.0
Cc1cccc(NC(=O)C23CCC(C)(/C(=N/O)C2)C3(C)C)c1,CID663135,,0.0,,0.0,,,,,,,,,,,,,
c1coc(CNC2CCCCCCC2)c1,CID654474,,,,0.0,,0.0,,,,,,0.0,,,,0.0,
CN1C(=O)C(=Cc2ccc(N3CCCCC3)o2)C(=O)N(C)C1=S,CID880443,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)CSCc2ccc(Br)cc2)cc1,CID2232012,,,,,,,,,,,,0.0,,,,,
O=C1CC(c2ccccc2)CN1Cc1ccccc1,CID2843346,0.0,0.0,,,,,,,,,,,0.0,,,,
O=C(CSc1ncccc1-c1nc2ccccc2[nH]1)N1CCCCC1,CID654786,0.0,0.0,,,0.0,,0.0,0.0,,,0.0,,,,,,0.0
Cc1nc2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2s1,CID1356021,,,,,0.0,,,,,0.0,,0.0,,,,,0.0
O=C(CSc1nnnn1C1CCCCC1)NCc1cccc(C(=O)O)c1,CID1291615,,,,0.0,,,,0.0,,,0.0,,0.0,,,,
CCOc1ccc(C(=O)CCNC(Cc2cnc[nH]2)C(=O)O)cc1,CID2912605,,0.0,,,,,,0.0,,,,,,,,,
c1ccc(C2=C(c3ccco3)NNC2=C2N=c3ccccc3=N2)cc1,CID5637091,,0.0,,,,,,,,,,,,,,,
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1,CID1258149,,0.0,0.0,,0.0,,,,,,0.0,,,,0.0,0.0,
CCC(C)(C)N1CC(=O)N(Cc2ccccc2)C(c2ccc(OC)cc2)C1=O,CID654781,0.0,,,,0.0,,,,,,,,0.0,0.0,,,
NC(=O)C1(N2CCCCC2)CCN(Cc2nc(=O)c3ccccc3[nH]2)CC1,CID1316594,,,,,,,,,,,,,0.0,,,0.0,
COC(=O)c1c(NC(=O)CN2CCCc3ccccc32)sc(C)c1C,CID2518894,,,,,,,,,,,,,,0.0,,,
O=C1C=CC(=CNNC(=O)c2csc3ccccc23)C=C1,CID5410783,,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1)c1ccco1,CID2526980,,0.0,0.0,,,,,,,,,,,,,,
O=C(CSCc1ccccc1Cl)N1CCN(c2ccccn2)CC1,CID3238035,,0.0,0.0,,0.0,0.0,,,,,,0.0,,,,,
c1ccc(-c2nc(Sc3ncnc4c3cnn4-c3ccccc3)n[nH]2)cc1,CID3238033,0.0,,,,0.0,,,,,,,,,0.0,,,
CSc1ccc(C2C3(C#N)C(N)=NC4(OCCO4)C23C#N)cc1,CID3238038,,,0.0,0.0,,,,,,,,,,,,,
CC1CCCN(Cc2c(O)ccc3c(=O)c(-c4nc5ccccc5s4)c(N)oc23)C1,CID5737438,,,,,,0.0,,,,,,,,,,,
O=C1C=CC=C/C1=C\Nn1c2ccccc2c2ccccc21,CID6537362,,,,,,0.0,,,,,,,,,,,
O=C(OCc1ccccc1)C1CCCN1C(=O)c1cccs1,CID2997853,0.0,,,,,,,,,0.0,0.0,,0.0,,,,
CCCCn1c(=O)n(Cc2cccc(F)c2)c(=O)c2c1ncn2Cc1ccco1,CID2997852,,,0.0,,,,,,,,,0.0,,,,,
O=C(CN1CCN(c2ccccn2)CC1)NCCc1ccccc1,CID2997859,,,0.0,,,,,,,,,0.0,,,,,
Cn1c(SCc2ccccn2)nnc1-c1cnccn1,CID646713,,,,0.0,0.0,,,,,,,,0.0,0.0,,,
O=C(Nc1ccc2c(c1)CCC2)C1COc2ccccc2O1,CID2998502,,,,,,,,,0.0,,0.0,,,,,,0.0
CCOc1ccc(S(=O)(=O)N2Cc3ccccc3CC2C(=O)NCCCn2ccnc2)cc1,CID2998503,0.0,,,,0.0,,,,,,,,0.0,,,0.0,
CN1C(=O)C2ON(c3ccccc3)C(c3cccs3)C2C1=O,CID646715,,,,0.0,,,,,,,,,,,,0.0,
O=C(Cn1nnc2ccccc2c1=O)N1CCCc2ccccc21,CID649445,,,0.0,,,,,0.0,,,,,,,0.0,,
N=C1N=C(c2ccc(Cl)cc2)/C(=N/Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S1,CID6892643,,,,,,,,,,,,,,0.0,,,
NC1=NON/C1=C(/N=O)N1CCCC1,CID5366130,,,,,,,,0.0,,,,,,,,,
c1nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2[nH]cnc2n1,CID2155099,,,,,,,,0.0,,,,,,,0.0,,
O=C(Nc1ccc(C2CCCCC2)cc1)C1CCCN(c2ncccn2)C1,CID646497,0.0,0.0,0.0,0.0,,0.0,,,,,,,0.0,,,,
O=C(c1cccnc1)N1CCN(c2ccc3ccccc3n2)CC1,CID706927,,,,,,,,,,,,,,,0.0,,
O=C(c1ccncc1)N1CCN(c2ccc3ccccc3n2)CC1,CID706924,,,,,,,,,,,,,,,0.0,,
N#Cc1cc(Sc2ccccn2)c(Sc2ccccn2)cc1C#N,CID736924,0.0,0.0,,,0.0,0.0,0.0,,,,,,,0.0,,,
O=c1cc(N2CCc3ccccc3C2)[nH]c(=O)n1Cc1ccc(F)cc1,CID3242015,,,0.0,0.0,,,,,,,,,,,,,0.0
O=C(CSc1nnc(CCc2nc3ccccc3[nH]2)n1-c1ccccc1)NCc1ccccc1,CID1169784,,,,,,,,,,,0.0,,,,,,
CC1(C)CC2c3cccc(C(=O)O)c3C(=O)N2c2c1ccc1ccccc21,CID5070711,,,,,,,,,,,,,,,0.0,,
O=C(O)CCC(=O)N1CCc2cc(S(=O)(=O)NCc3cccs3)ccc21,CID3242012,,,,,0.0,0.0,,,,,,,,,,,
CCOC(=O)/C(=C/Nc1ccccc1)C(=O)Nc1ccccc1,CID1560421,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC(=O)Cn2c(=O)n(CC(=O)NCc3ccco3)c(=O)c3ccccc32)cc1,CID11957189,,,,,,,,,,,,0.0,,,,,
Cc1ccc(S(=O)(=O)Nc2nc(C)c(NC(=O)Nc3ccc(Cl)cc3Cl)s2)cc1,CID1326279,,,,,,,,,,,,0.0,,,,,
COc1ccc(-c2cc(NCc3ccccn3)n3ncnc3n2)cc1,CID655783,,0.0,,,,,,,,,,,,,,,
O=C1OC(/C=C/c2cccc([N+](=O)[O-])c2)=N/C1=C\Nc1ccc2ccccc2c1,CID11957185,,,,,,0.0,,,,,,,,,,,
Cc1ccc(N/C=C2\N=C(/C=C/c3cccc([N+](=O)[O-])c3)OC2=O)cc1,CID11957186,,,,,,0.0,,,,,,,,,,,
O=C(c1cc2c(s1)-c1ccccc1S(=O)(=O)C2)N1CCN(Cc2ccccc2)CC1,CID11957183,,,,,,0.0,,,,,,,,,,,
O=C(NCc1ccncc1)C(=O)NCc1ccco1,CID2301154,,,,,,,,,,,,,,,0.0,,
COc1ccc(OC)c(NC(=O)COC(=O)c2ccc(-n3cnnn3)cc2)c1,CID2571257,,0.0,,0.0,,,,,,,,,,,,,
CN1CCN(c2ccccc2NC(=O)c2ccc(OCc3ccccc3)cc2)CC1,CID2967278,0.0,,0.0,,,,,0.0,,,,0.0,,,,,1.0
Cn1nc(C(=O)N2CCCc3ccccc32)c2ccccc2c1=O,CID1511241,,,,,,,,,,,,,,,0.0,,
O=C(CCCOc1ccccc1)OCn1nnc2ccccc2c1=O,CID2548793,,,,,,,,,,,,,,0.0,,,
c1ccc(Cc2nnc3sc(Nc4ccccc4)nn23)cc1,CID972644,0.0,,,,0.0,,0.0,,,,0.0,,,,,0.0,
Cc1sc(NC(=O)CSc2nnnn2C2CCCC2)c(C#N)c1C,CID644712,0.0,0.0,,0.0,0.0,0.0,,,,,,,,,,0.0,
Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1sc2ccccc2c1Cl,CID1132508,,,,,,,,,,,,0.0,,,,,
O=C(NC1CCCCC1)C(c1ccco1)N(Cc1ccco1)C(=O)c1ccco1,CID644717,0.0,,,,,,,,0.0,,,,,0.0,,,
O=C(Nc1ccc(-n2cnnn2)cc1)C1CCCCC1,CID2462615,,,,,,,,,0.0,,,0.0,,,0.0,,
COc1ccccc1NC(=O)C1=C(C)N=C2N=CNN2C1c1cccs1,CID5390066,,,,,,,,,,,,,0.0,,,,
CCOC(=O)c1oc2ccccc2c1NC(=O)COc1ccc(F)cc1,CID3236831,,,,,,,,0.0,,,,,,,,,
Nn1c(CSc2ccccn2)nc2ccccc2c1=O,CID3236834,,0.0,0.0,,,,,,,,,0.0,,,,0.0,
Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2ccc(S(=O)(=O)N3CCCC3)cc12,CID3236837,,,,,0.0,,,,,0.0,,,,,,,
O=C(NCc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1,CID3236838,,,,0.0,0.0,,,,,,0.0,,,,,0.0,
O=C(Cc1cccs1)N(Cc1ccco1)C1(C(=O)NC2CCCC2)CCCCC1,CID3236839,,0.0,,,,,,,0.0,,,,,,,,
O=C(c1ccco1)N1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1,CID2230064,0.0,,0.0,0.0,,,,,,0.0,,,,,,,0.0
Cc1ccc2cc(C#N)c(NCCCNC(=O)C3CCCO3)nc2c1,CID649378,,0.0,,,,,,0.0,,,,,,,,,
CCOC(=O)C1CCCN(C(=O)C2CCC(CNS(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)C1,CID3241547,,,,,0.0,,0.0,,0.0,,0.0,,,,,,0.0
CCOc1ccc(-c2cc(C(=O)NCCCN3CCN(CC)CC3)c3ccccc3n2)cc1,CID3237125,,,,,,0.0,,,,,,,,,,,
O=C1NC2=C(C(=O)c3ccccc32)C(c2ccccc2)N1,CID3237127,0.0,0.0,,0.0,,0.0,,,,0.0,,0.0,,,,,
CN1C(=O)CSc2ccc(NC(=O)NCc3cccnc3)cc21,CID3237123,,0.0,,,,,,,0.0,,,0.0,,,0.0,0.0,
CCOC(=O)c1cn(CC(=O)Nc2ccc3c(c2)OCCO3)nn1,CID3237122,,,,,,,,,,,0.0,,,,,,
Cn1c(CNc2ccccc2)cc(=O)n(C)c1=O,CID761462,,,,,,0.0,,,0.0,,,0.0,0.0,,,,
O=C(OCC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C1=COCCO1,CID2549681,,,,,,,,,,0.0,,,,,,,0.0
Cc1nc(SCc2cccc(Oc3ccccc3)c2)n[nH]1,CID7066452,,,,,,0.0,,,,,,,,,,,
O=C(CCc1nc2ccccc2[nH]c1=O)N/N=C/c1ccccc1,CID901883,,,,,,,,,,,,,,,0.0,,
CSc1nc2ccc(N3C(=O)C4CCCCC4C3=O)cc2s1,CID2880512,,,,,,,,,,,,,,,0.0,,
O=C(COC(=O)CCCSc1nc2ccccc2[nH]1)NC(=O)NC1CCCC1,CID3263484,,,,,,0.0,,,,,,,,,,,
CCN1C(SCC(=O)N2CCc3ccccc32)=NN/C1=C1/C=Nc2ccccc21,CID5497819,,,0.0,,,,,0.0,,,,,,,,,
O=C1c2ccccc2C(=O)N1Cc1nc2ccccc2c(=O)n1-c1cccnc1,CID659588,,,,,,,,,,,0.0,0.0,,,0.0,,
COc1ccc(/C=N/n2cncn2)cc1CSc1ccccn1,CID659581,,,0.0,,0.0,,,,,,0.0,,,,,,0.0
O=C1CCCC2=C1C(c1ccc(OCc3ccccc3)cc1)C1=C(CCCC1=O)O2,CID1022796,,,,,,0.0,,,,,,,,,,,
CCN(CC)CCN1C(=O)C(O)=C(C(=O)/C=C/c2ccccc2)C1c1ccccc1Cl,CID5345268,,,,,,0.0,,,,,,,,,,,
NC(=O)C1CCN(C(c2ccccc2Cl)c2nnnn2Cc2ccc3c(c2)OCO3)CC1,CID651379,,,,,0.0,,,,,,,0.0,,,,,
O=C(NC1CCCCC1)N1CCC(n2cnc3ccccc32)CC1,CID651374,0.0,0.0,0.0,0.0,,,,,,,0.0,,0.0,,,,
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C2C#Cc1ccccc1,CID651376,0.0,0.0,,,,,,0.0,,,,,,,,,
O=C(C1CCCO1)N1CCc2ccccc21,CID651377,,,,,,,,,,,,,,,,,0.0
COc1ccc(C(C)=O)cc1CN1C(=O)C(C)N(c2ccc(C)cc2)C1=O,CID2998517,,,,,0.0,,0.0,,0.0,0.0,,,0.0,,,,
O=C(NCCOc1ccccc1F)Nc1ccc(Br)cc1,CID598849,,,,,,,,,,,,,,,0.0,,
C/C(NCCCN1CCCCC1)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O,CID5389976,,,,,,,,0.0,0.0,,,,,,,,
O=C(COC(=O)Cc1cn2ccsc2n1)Nc1nc2ccccc2s1,CID2998514,0.0,0.0,,0.0,0.0,0.0,,,,0.0,0.0,,,,,,
Cc1cc(C)nc(SCSc2nc(C)cc(C)n2)n1,CID802777,0.0,,,,,,0.0,,,,,,,0.0,,,
Cc1cc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCCO4)o2)no1,CID2155870,,,,0.0,,,,,,,,,0.0,,,0.0,
Cc1nn(CC(=O)N2CCOCC2)c(=O)c2ccccc12,CID658664,,,,,,,,,,,0.0,,,,,,
CCn1c(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)nnc1-c1ccccc1,CID2090286,,,,,,,,,,,0.0,,,,,,
CCN1CCN(C(=O)C(NS(=O)(=O)c2ccc3nc(C)sc3c2)C(C)C)CC1,CID5308569,0.0,0.0,0.0,0.0,,0.0,,,,,0.0,,,,,,
Cc1nn(-c2ccccc2)c2sc(C(=O)OCc3nnc(-c4ccccc4)o3)cc12,CID2416480,,,,,0.0,,,0.0,,,0.0,,,,,0.0,
CSc1nc2ccc(S(=O)(=O)NC3CCCCC3)cc2s1,CID602131,,,,,0.0,,,,,,,,,,0.0,,
COc1cc(C)nc(Oc2ccc(OCCOc3ccc(C)cc3)nn2)n1,CID5389355,,,,,,0.0,,,,,,,,,,,
CCOc1ccccc1-n1c(CN2CCN(C(=O)c3ccco3)CC2)nc2ccccc2c1=O,CID991507,0.0,,0.0,,,,,,0.0,0.0,,0.0,,,,,
C=CCn1c(SC2CCOC2=O)nc2scc(C3CC3)c2c1=O,CID2998999,,,,0.0,,,0.0,,0.0,0.0,,,,,,,0.0
c1ccc2c(c1)CCCN2Cc1nnc2n1CCCCC2,CID2998993,,0.0,,,,,,,,,,,,,,,
COc1cc2c(cc1NC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)oc1ccccc12,CID2998992,0.0,,,,,,,,,0.0,,,0.0,,,,
CC(C)Cn1c(-c2csc3ccccc23)n[nH]c1=S,CID843942,,,,,,0.0,,,,,,,,,,,
CN(Cc1nc(-c2cccnc2)no1)S(=O)(=O)c1ccc2ccccc2c1,CID1300548,,0.0,,,,,,,,,0.0,,0.0,,,0.0,0.0
CC1(C)CC(=O)C(=CNc2ccc3c(c2)OCO3)C(=O)C1,CID773039,,,,,,,,0.0,,0.0,,,0.0,,,,0.0
CN1CCN(CCC(=O)Nc2ccc3c(c2)OCO3)CC1,CID773030,,,,,,,,,0.0,,,,,,,,
O=C(COC(=O)CCC(=O)c1cccs1)NCc1ccco1,CID2355490,,,,,,,,,,,,,,0.0,,,
Cc1cc(-c2cccs2)c2c(n1)sc1c(=O)[nH]c(=O)[nH]c12,CID845766,,0.0,,,0.0,,,,0.0,0.0,,,0.0,,,,
CC(=O)Nc1ccc(C2=NN(CC#N)C(=O)SC2)cc1,CID823205,,,,,,,,,,,,0.0,,,,,
CCOC(=O)CN1CC23C=CC(O2)C(C(=O)NC2CCCCCC2)C3C1=O,CID5309615,,,0.0,0.0,,,,,,,,,,,,,
COc1cccc(-n2c(C)nnc2SCC(=O)Nc2ccccc2N2CCOCC2)c1,CID2538661,,,,,,,,,0.0,,0.0,,,,,0.0,
O=C(CCNC(=O)Cn1ccc2ccccc2c1=O)NCCN1CCc2ccccc2C1,CID3239847,,,,,,,,,0.0,,,,,,,,
COc1ccccc1NC(=O)C(=O)NNC(=O)c1ccco1,CID3127341,,,,,,,,,,,,,,,0.0,,
CC1(C)Cc2nc3sc4c(SCC(=O)NCc5ccccc5)ncnc4c3cc2CO1,CID1936615,,,,,,0.0,,,,,,,,,,,
O=C(NNC(=O)c1cnccn1)c1cccc([N+](=O)[O-])c1,CID3127348,,,,,,,,,0.0,0.0,,0.0,,,,,
O=C(OCc1nnc(-c2ccccc2)o1)c1cn(-c2ccccc2)nc1-c1ccccc1,CID2108242,,,0.0,,,,,,,,0.0,,,,,,
O=S(=O)(Nc1ccncc1Cl)c1ccc2ccccc2c1,CID2448376,,,,,,,,,,,,,,0.0,0.0,,
O=C1NC(=O)C(CC(=O)N2CCCCC2)S1,CID2893073,,,0.0,0.0,,,,,,0.0,,0.0,,,,,
Cc1ccc(/C=C/C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)o1,CID2488476,,,,,,,,,,,,,,,0.0,,
CCN1C(=O)C(CC(=O)Nc2ccc(OC)cc2)N(Cc2cccnc2)C1=S,CID2936988,,,,,,,,,,,,,,0.0,,,
Nn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nnc1C1CC1,CID2480602,,,,,,0.0,,,,0.0,,,,,,,
O=C(c1cccs1)C1CN2CCC1CC2,CID3148371,,,,,0.0,,0.0,0.0,,,,,0.0,,,,
CC12CC3CC(C)(C1)CC(C(=O)NC1=NCCS1)(C3)C2,CID2957167,,,,,,0.0,,,,,,0.0,,,,,
CCOc1ccccc1N1CCN(C(=O)c2cccc(-c3ccc(O)cc3)c2)CC1,CID2435278,0.0,,,0.0,,,,0.0,,,,0.0,,,,,
O=C(CS(=O)(=O)Cc1ccccc1)Nc1nc2c(s1)CCCC2,CID1094096,,,0.0,,0.0,,0.0,,0.0,,0.0,,0.0,,,,
CCOC(=O)Cc1csc(NC(=O)CS(=O)(=O)Cc2ccccc2)n1,CID1094090,,,,,0.0,,0.0,,,0.0,,,,,,,
O=C(CS(=O)(=O)Cc1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID1094091,,,,,0.0,,,,,0.0,,,0.0,,,0.0,
NC(=O)NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1,CID2586131,,,,,,0.0,,,,,,,,,,,
c1ccc2ncc(-n3cnnn3)cc2c1,CID598097,,0.0,0.0,,,,,,,,,,0.0,,,,
CCOCCCNc1ccc(N2C(=O)C3CCCCC3C2=O)cc1[N+](=O)[O-],CID16189339,,,,,,,,,,,,,,0.0,,,
O=C(COC(=O)c1cccnc1Nc1ccccc1F)NCc1ccc2c(c1)OCO2,CID2546146,,,,,,,,0.0,,,,,0.0,,,,
S=c1[nH]nc(-c2cccnc2)n1Cc1ccccc1,CID667615,,0.0,,0.0,,,,,,0.0,0.0,,0.0,,,,
CN(CC(=O)NC1CCCCCC1)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C,CID6619899,,,,,,0.0,,,,,,,,,,,
CCn1nc(C)c(NC(=O)CSc2nnc(-c3ccco3)n2C)c1C,CID1313550,,,,,0.0,,,,,,,,0.0,,0.0,,
NC(=O)c1csc(-c2ccncc2)n1,CID2824500,,,,,,,,,,,,,,0.0,,,
CC1CCC(C(C)C)C(OC(=O)CSc2n[nH]c(=O)[nH]c2=O)C1,CID660971,,,,,,,,,,,,,0.0,,,,
O=C(NCc1ccco1)c1c2c(nc3ccccc13)CCC2,CID862194,,,,,,,,,,,,,,0.0,,0.0,0.0
O=C1c2ccccc2C(=O)N1CCCC(=O)N1CCc2ccccc21,CID577094,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)c3cccs3)c12,CID662193,0.0,,0.0,0.0,0.0,,,,,,0.0,,,,,,
O=c1nc2n(c3c4c(sc13)CCC4)CCC2,CID662197,,,,,,,,,,,,,0.0,,,,
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C3CCCC3)cc2)n1,CID2222383,,,,,,,,,0.0,,,0.0,,,,,
CCCCSc1nc(C)cc(SCC(=O)NN/C=C2\C=CC=C(OC)C2=O)n1,CID11958774,,,,,,0.0,,,,,,,,,,,
Nc1nnc(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)s1,CID1626528,,,,,,,,,,,,0.0,,,0.0,,
Cc1cccc(OCC(=O)Nc2ccc(C(=O)NCc3cccnc3)cc2)c1,CID1150820,,,,,,,,,,,,0.0,,,,,
COc1ccccc1OCCOc1ccc(/C=N/N2C(=O)CSC2=S)cc1,CID5348981,,,,,,0.0,,,,,,,,,,,
CCCN(CC1CC1)C(=O)COC(=O)c1[nH]c(C)c(C(=O)OCC)c1C,CID2377235,,,,,,,,,0.0,,0.0,,,,,,
COc1ccccc1OCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1,CID1183010,,,,,,,,,,,,0.0,,,,,
CCOc1cccc(OCCOCCN(C)Cc2ccccc2)c1,CID2181587,,0.0,,,,,,,,,,,,,,,0.0
COc1ccc(C(C(=O)NCc2ccccc2)N(Cc2ccc3c(c2)OCO3)C(=O)c2cnccn2)cc1,CID3188483,,,,,,,,,,,,0.0,,0.0,0.0,,
O=C1C=Cc2cc(=C3Nc4ccccc4N3)c(=O)oc2=C1CN1CCCCC1,CID5389096,,,,,,,,0.0,,,,,,,,,
CCC(Nc1ccc(Cc2ccncc2)cc1)=C1C(=O)N(C)C(=O)N(C)C1=O,CID5389093,,,,,,,,,,,,,0.0,,,,
CC(C)(C)c1ccc(C(=O)NNc2cc(N3CCCCC3)nc(N3CCCCC3)n2)cc1,CID3121367,,,,,,,,,,,,,,,0.0,,
COC(=O)c1ccccc1NC(=O)CSc1nc(=O)cc(O)n1C1CCCC1,CID2079613,,,0.0,,0.0,,,,0.0,,0.0,,,0.0,,,0.0
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCc1ccc(C)n1C,CID2536158,0.0,0.0,,,,,,,,,,,,,,,
O=C1c2oc3ccccc3c(=O)c2C(c2ccccn2)N1Cc1ccccc1,CID665430,0.0,,,,0.0,,0.0,0.0,0.0,,,,,0.0,,,
CCn1c(SCC(=O)Nc2nccs2)nnc1-c1ccc(S(=O)(=O)N2CCCCCC2)cc1,CID3178064,,,,,,,,,,,,0.0,,0.0,,,
COc1ccc(CCC(=O)Nc2ccc(-c3noc(-c4ccc(OC)c(OC)c4)n3)cc2)cc1,CID2202529,0.0,,,,,,,,,,0.0,0.0,0.0,,,,
CCN(Cc1nc(=O)c2ccccc2[nH]1)Cc1nc(=O)c2cc(OC)c(OC)cc2[nH]1,CID2117136,,0.0,0.0,,,,,0.0,,,,,,,,,
COc1ccc(CNC(=O)COC(=O)CC2CCCC2)cc1,CID2370760,,,,,,,,,,,,,,,0.0,,
Cc1cc(=O)n2nc(N3CCC(C(=O)N4CCN(Cc5ccccc5)CC4)CC3)sc2n1,CID3240043,0.0,0.0,,,,,0.0,0.0,,,0.0,,,,,0.0,
COc1cc(OC)cc(-c2nc3nc(C)c(CCC(=O)NCc4ccco4)c(C)n3n2)c1,CID3240044,0.0,,,,,0.0,,,,,0.0,0.0,,,,,
O=C(c1ccc(C23CC4CC(CC(C4)C2)C3)o1)N1CCOCC1,CID2972746,,,,,,,,0.0,,,,,,,0.0,,
Cc1cc(=O)n2nc(N3CCCC(C(=O)NCCC4=CCCCC4)C3)sc2n1,CID3240049,,,,,,,,0.0,,,0.0,,,,,,
CC(=O)c1c(N2CCN(Cc3ccccc3)CC2)[nH]c(-c2ccccc2)nc1=S,CID1341381,0.0,,,,,0.0,0.0,0.0,,,,,,,,0.0,
CCC(C(=O)Nc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1,CID2971289,,,,,,,,,,,,,,,0.0,,
Cc1ccc(N(C(=O)c2ccncc2)C2C=CS(=O)(=O)C2)cc1,CID3126630,0.0,,0.0,,,,0.0,,,,0.0,,,0.0,,,0.0
Cc1c(-c2ccccc2)[n+](=O)c(-c2ccco2)c(C)n1[O-],CID1920037,0.0,,,,,,0.0,0.0,,,,0.0,,,,,
Cc1ccc(NC(C(N)=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1,CID2951024,,0.0,,,,,,,,,,,,,,,
C/C(=N\Nc1ccc(C(=O)O)cc1)c1nc2ccccc2n1C,CID2858347,,,,,,,,,,,,,,,0.0,,
Nc1nc2ccc(Oc3ccccc3)cc2s1,CID2344996,,,0.0,0.0,0.0,,,0.0,,,,,,,,,
COc1ccc2nc(SCC(=O)N3CCNC3=O)[nH]c2c1,CID717851,,,,0.0,,,,,,,,0.0,0.0,,,0.0,
Cc1cc(NC(=O)CCCSc2nc(-c3ccco3)cc(C(F)(F)F)n2)no1,CID2982425,,,,,0.0,,,,,0.0,,,,,,,
CCOc1ccc(N2C(=O)CC(N3CCC(NC(=O)Nc4ccccc4)CC3)C2=O)cc1,CID2982429,,0.0,,,,,,0.0,,,,,0.0,,,0.0,0.0
CC(NC(=O)c1ccccc1NC(=O)c1cccnc1)c1ccccc1,CID5036868,,,,,,0.0,,,,,,,,,,,
CC(=O)ON1C(C)(C)Cc2noc(N)c2C1(C)C,CID709424,,,,,,,,,,,,0.0,,,,,
O=C(c1scc2c1CCCC2)N1CCOCC1,CID709428,0.0,,,,,,,,,,,,,,,,
O=C(Nc1ccccc1)c1cnc[nH]1,CID312385,,0.0,0.0,,,,,,,,,,,0.0,,,
O=C(CSc1nc2ccccc2c(=O)n1CC1CCCCC1)N1CCOCC1,CID660124,,,0.0,,,,,,,,,,,,,,0.0
Cc1cc(-c2cc(-c3ccc(Cl)cc3)nc(N)c2C#N)co1,CID660120,0.0,0.0,0.0,0.0,,0.0,0.0,,,,,,,,0.0,,0.0
CC(C)Cn1c2nc3ccccc3nc2c2c(=O)n(CCN3CCOCC3)cnc21,CID660123,,0.0,,,,,,,,,,,,,,,
O=C(NCc1ccco1)c1ccc(=O)[nH]n1,CID660122,,0.0,,0.0,,,0.0,,0.0,,,0.0,,,,,
O=C(CSc1nnc2ccccn12)N1CCOCC1,CID752201,,0.0,,,,,0.0,,,,,,0.0,,,,0.0
O=C(C1CCC(=O)N1Cc1cccnc1)N1CCN(c2ccc(F)cc2)CC1,CID4115051,,0.0,0.0,,,,,,,,,,,,,,
O=C(O)c1oc2ccccc2c1CSc1ccccn1,CID646827,,,,,,,0.0,0.0,0.0,0.0,,,0.0,0.0,0.0,,0.0
COc1cc(CC2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCc1ccccc1,CID1256078,0.0,,,,,,0.0,0.0,0.0,0.0,,,0.0,,,,0.0
O=S(N1CCCCCC1)C12CC3CC(CC(C3)C1)C2,CID2866252,,,,0.0,,,0.0,,,,,0.0,,0.0,,,
Cc1c(/N=N/c2ccc(N(C)C)cc2)c(=O)n(-c2ccccc2)n1C,CID3118903,,,,,,,,,,,,,,0.0,,,
C=CCn1c(-c2cc3c(s2)CCC(CC)C3)n[nH]c1=S,CID3324499,,,,,,,,,,,,,,,0.0,,
COc1ccc(S(=O)(=O)N2CCN(C(=O)c3c(-c4ccccc4)noc3C)CC2)cc1,CID2453519,,,,,,,,,,,0.0,,,,0.0,,
O=C(NC1CCCCC1)N1CCCC(c2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)no2)C1,CID648652,0.0,,0.0,,,,,,,,,,,,,0.0,0.0
O=C(CN1C(=O)c2cccc3cccc1c23)NCC1CCCO1,CID2947859,,,,,0.0,0.0,,0.0,,0.0,,,,,0.0,0.0,0.0
Cc1nc2ccccn2c1C(=O)NC1CCCCC1,CID681940,,,,0.0,,0.0,0.0,,,0.0,,,,,,0.0,
O=C(O/N=C/c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl,CID3777955,,,,,,,,,,,,,,0.0,,,
O=C1NC(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/N1CCOCC1,CID2186038,,,,,,,0.0,,,,,,,,,0.0,0.0
COc1ccc(C(=O)NC2CCCCCC2)cc1S(=O)(=O)N1CCCc2ccccc21,CID2109848,,,,,,0.0,,,,,0.0,,,,,,
Cc1oncc1-c1cn2ccccc2n1,CID1488777,,,,,,,,,,,,0.0,,,,,
CCOc1ccc(C(=O)NCC(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)cc1,CID2083729,,,,,,,,,,,,,,0.0,,,
Cc1nc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)c(Cl)cc1Cl,CID2083728,,,,,,,,,,,,,,,0.0,,
O=C(CCC(=O)c1ccc[nH]1)c1ccc(Cl)cc1,CID2106547,0.0,0.0,,,,,,,,0.0,,,0.0,0.0,,0.0,0.0
Cn1/c(=N/C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)sc2ccccc21,CID2553295,,,,,0.0,,,,0.0,,,,,,0.0,,
CC(=O)Nc1ccc(OC(=O)c2c(-c3ccccc3Cl)noc2C)cc1,CID1022225,,,,,,,,,,,,,,0.0,,,
O=C(CSc1nc(O)c(-c2ccccc2)c(=O)[nH]1)N1CCOCC1,CID1073973,,,,,,,,,,,,,,0.0,0.0,,
O=S1(=O)CC(N2CCOCC2)c2ccccc21,CID658746,,,,,,,,0.0,,,,0.0,,,,,
CCC1(COC(=O)Nc2cccc(Cl)c2)COC1,CID658745,0.0,0.0,0.0,,,,,,,,,0.0,,0.0,,,
CC1=C(C(=O)Nc2ccccc2)C(c2ccncc2)C(C#N)=C(SCC(=O)NC(C)C)N1,CID658741,,,,,0.0,,,,,0.0,,,,,,,
CCOC(=O)CSc1nc2c(sc(=S)n2CCc2ccccc2)c(=O)n1Cc1ccco1,CID3235630,,,,,,,,,0.0,,0.0,,,,,,
O=C(CCCCn1c(=O)c2ccccc2n(CC(=O)NC2CCCC2)c1=O)NC1CCCC1,CID3235637,,,,,,0.0,0.0,,,,,0.0,,,,,0.0
Cc1ccccc1-n1nc(C)c2cc(C(=O)NC3CC3)sc21,CID941623,,,,,,0.0,,,,,0.0,,,0.0,,,
COc1ccccc1CNC(=O)CCn1c(=O)[nH]c2ccsc2c1=O,CID3235634,,0.0,,,0.0,,0.0,,,,,,,,,0.0,
O=C(COCc1nc(=O)c2ccccc2[nH]1)NC1CCCC1,CID653422,,,,0.0,,,,,,,,,,,0.0,,
COc1ccccc1OCc1ccc(C(=O)OCC2CCCO2)o1,CID3235638,,,,,,,,,,,0.0,,,,,,
Cc1nonc1NC(=O)CSc1nc(C2CCCCC2)nc2ccccc12,CID653427,0.0,0.0,0.0,,0.0,,,0.0,,,,,0.0,,,0.0,
COC(=O)/C=C1\NCCSC1=O,CID1956322,,0.0,,,0.0,,,,,,,,,,,,
O=C(CCCc1c[nH]c2ccccc12)N1CCN(S(=O)(=O)c2cccs2)CC1,CID2553879,0.0,,0.0,,0.0,,0.0,,,0.0,,,,,0.0,,
O=C(CSc1ccc(-c2cccc([N+](=O)[O-])c2)nn1)NCc1ccccc1,CID7205904,,,,,,,,,,,,,,0.0,0.0,,
Nc1[nH]c(SCC(=O)OCc2ccccc2)nc(=O)c1NC(=O)c1ccco1,CID2149720,,,,,0.0,,,,,,,,,,0.0,,
O=C(C1CCCCN1S(=O)(=O)c1ccccc1)N1CCCCC1,CID5103142,,,,,,,,,,,0.0,,,,,,
O=C(CSc1nc(=O)c2ccccc2[nH]1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1,CID645993,,0.0,,0.0,0.0,0.0,,,0.0,,,,0.0,0.0,,0.0,0.0
COc1ccc(-n2nc3c(c2NC(=O)C2CCCC2)CS(=O)C3)cc1,CID2160207,0.0,,,0.0,0.0,,,,,,,,,,,,
CCOC(=O)C1(CC2CCCCO2)CCN(C(=O)Nc2ccccc2SC)CC1,CID16187350,,,,,,,,,,,,,,0.0,,,
Cc1nc2ccccc2c(=O)n1N/C=C1\C(=O)C=Cc2ccccc21,CID5346000,,,,,,0.0,,,,,,,,,,,
CON(C)c1nc(OCCNC(=O)COc2ccc(Cl)cc2C)nc(N(C)C)n1,CID2268297,,0.0,,,,,,,,0.0,,,,,,,
CC1=NN(c2ccccc2)C(=O)/C1=C/Nn1c(-c2ccc(C)cc2)n[nH]c1=S,CID6263554,,,,,,,,,,,,,,0.0,,,
CC1CC(C(O)c2ccccn2)C(=O)C(C(O)c2ccccn2)C1,CID3238789,,0.0,,,,,,,,,,,,,,,0.0
O=C(O)C1CCCCC1C(=O)Nc1nc(-c2cccs2)cs1,CID2965316,,,,,,,0.0,,0.0,0.0,,,0.0,,,0.0,
O=C(O)c1cccc(N/N=C/C2=C(Cl)c3cc(Cl)ccc3SC2)c1,CID5043249,,,,,,,,,,,,,,0.0,,,
c1ccc(-n2nnnc2NCCCN2CCOCC2)cc1,CID2453962,,,,,,,,,,,,0.0,,,0.0,,
O=C(O)CC(Cn1[nH]nnc1=S)c1ccccc1,CID2952567,,,,,,,,,,,,,,,0.0,,
O=C(NCc1ccco1)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1,CID5307160,0.0,0.0,0.0,,,,,,,,,,,0.0,,0.0,
Fc1ccccc1N1CCN(CCCNc2ccc3nncn3n2)CC1,CID5307166,,0.0,0.0,0.0,,,,,,,,,,,,,
CCOC(=O)N1CCN(c2c(N3CC=C(c4ccccc4)CC3)c(=O)c2=O)CC1,CID5307168,,,0.0,,,,,0.0,,,,,,,,,
O=C(c1ccco1)C12CN3CN(CN(C3)C1)C2,CID657426,,,,,,,,,0.0,,,,,,,,
Cn1cnnc1SCC(=O)Nc1ccc2nc(SCc3ccccc3)sc2c1,CID1821450,,0.0,,,0.0,0.0,,,0.0,,,0.0,,,,,
Cn1c(=O)c2c(SCc3cccnc3)nc(C3CC3)nc2n(C)c1=O,CID5309986,,,,0.0,,0.0,0.0,,,,,,,,0.0,,
Cc1ccc([N+](=O)[O-])cc1N/C=C1\CCc2ccccc2C1=O,CID765348,,,,,,,,,,,,,,0.0,,,
Cc1noc(NS(=O)(=O)c2ccc(NC(=O)CCn3c(=O)oc4ccccc43)cc2)c1C,CID5309989,,,,,,,,,,,,,0.0,,,,
O=S(=O)(Nc1ccccc1F)c1ccc2nsnc2c1,CID797935,,,0.0,,0.0,,,,,,,,0.0,,,,
O=C(O)c1cccc(N2C(=O)C3C4C=CC(C4=C(c4ccccc4)c4ccccc4)C3C2=O)c1,CID2891529,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)CSc2ncn[nH]2)nc1C,CID2379803,,,,,,,,,0.0,,0.0,0.0,,,,,
CC1N(C)c2cccc3cccc(c23)N1C,CID830670,,,,,,,,,,,,,,0.0,,,
Cn1c(C(=O)N2CCN(Cc3ccccc3)CC2)cc2c(=O)n(C)c3ccccc3c21,CID5308856,0.0,0.0,,0.0,,0.0,,0.0,,,,,,,,,
O=C(C1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1)N1CCCCCC1,CID647346,,,,,,,,0.0,,0.0,,,,,,,
O=C(Cc1c(O)[nH]c2ccccc2c1=O)NC1CCCCCC1,CID657547,0.0,,0.0,0.0,,,,,0.0,0.0,,,,,,,
Cn1c(=O)c2c(nc(CN3CCN(C(=O)c4ccco4)CC3)n2CCc2ccccc2)n(C)c1=O,CID666962,0.0,,,,,,,,,,,,,,,0.0,
N#Cc1ccccc1-n1c(N)c(C(=O)N2CCCC2)sc1=S,CID3243329,,0.0,,,,,,,0.0,,,,,,,,
Cc1ccc(-c2nnc(N(C)C(=O)C3CCCO3)s2)cn1,CID656376,,0.0,,0.0,,,0.0,,,,0.0,,,,,,
O=S(=O)(NC1CC2CCC1C2)c1ccc2c(c1)OCCO2,CID2897391,,0.0,,,,,,,,,,,0.0,,,,
COc1ccc(/C=N/n2nnc3ccccc32)cc1,CID606904,,,,,,,,,,,,,0.0,,,,
OC1(CN2CCOCC2)C2CN3CCN(C2)CC1(c1ccccc1)C3,CID551934,,,,,,,,0.0,,,,,,,,,
O=S(=O)(Nc1ccc2c(c1)OCCO2)c1ccc2oc3ccccc3c2c1,CID2227364,,,0.0,,,,,0.0,0.0,0.0,,,,0.0,,0.0,
Cc1cc(Nc2ccccc2)n(-c2nc3ccccc3[nH]2)n1,CID2998938,,0.0,0.0,0.0,,,,,,,,,,,,0.0,
O=C1c2ccccc2C(=O)C12OC(c1ccccc1)C1(C(=O)c3ccccc3C1=O)C2c1cccc([N+](=O)[O-])c1,CID2835195,,,,,,,,,,,,,,0.0,,,
Brc1ccc(C2=CS/C(=C3/C=Nc4ccccc43)N2)cc1,CID5450844,,,,,,,,,,,,0.0,,,,,
CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)Nc1ccccc1C(=O)NCc1ccco1,CID1295601,,,,,,,,,,,0.0,,,0.0,,,
c1ccc(-c2noc(-c3cccs3)n2)nc1,CID699629,,,,,,,,,,,0.0,,0.0,,,,
O=C(CSc1nnc(-c2cccs2)n1Cc1ccccc1)N1CCc2ccccc2C1,CID2586039,,,,,,0.0,,,,0.0,0.0,,,0.0,,,
COc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cn1,CID2334703,,,,,,,,,,,,,,,0.0,,
c1csc(-c2nc(-c3ccncc3)no2)c1,CID699625,,,,,,,,,,,,,,,,0.0,
OC(COc1ccc2c(c1)CCC2)CN1CCN(c2ccccc2F)CC1,CID2962053,0.0,,,0.0,,,,,,,,,,,0.0,,
COc1ccccc1-c1c(C)oc2cc(OC(=O)c3ccco3)ccc2c1=O,CID1306464,,,0.0,,,,,,,0.0,,,,,,,0.0
CCOc1ccc(-c2cc(CCCC(=O)N3CCN(c4ccc(OC)cc4)CC3)no2)cc1,CID5309100,0.0,,,,,,,0.0,,,,,0.0,,,,
O=C(CC1OC(=O)c2ccccc21)NC1CCCCC1,CID664771,,,,,,,0.0,0.0,,,,,,,,0.0,0.0
COc1cc(/C=N/Nc2ccc(Cl)c(C(=O)O)c2)ccc1OC(=O)c1ccco1,CID3528138,,,,,,,,,,,,,,0.0,,,
O=C(COCCOCC(=O)N(c1ccccn1)C1CCCCC1)N(c1ccccn1)C1CCCCC1,CID2998829,,,,,,,,,,,,0.0,,,,,
COc1cc(OC)cc(C(=O)NNC(=O)c2ccccn2)c1,CID939827,,,,,,,,,,,,,,,0.0,,
CC(CNCC1CCCO1)COc1cccc2ccccc12,CID3794220,,,,,,,,,,,,,,,0.0,,
c1ccc(-n2nnnc2NC2CCCCCC2)cc1,CID1448811,,,,,,,,,,,,0.0,,,,,
O=S(=O)(NC1CCCCCC1)c1cccc2cccnc12,CID3244108,0.0,,,,,,,0.0,,,,,,,,,0.0
Cc1ccc(-c2nnc(CSc3nc4cc5c(cc4cc3C)OCO5)o2)cc1,CID652308,0.0,,,,0.0,0.0,0.0,,,,,,,0.0,,0.0,0.0
COc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1CSc1ccccn1,CID2888660,,,,,,0.0,,,,,,,,,,,
COc1ccc(NC(=O)N2CCC3(CC2)OCCO3)cc1OC,CID970734,,,,,,,,,,,,,,,0.0,,
C=CCn1c(Cc2csc(N)n2)nnc1SCc1ccc(C(=O)OC)cc1,CID1180341,,,0.0,,0.0,,0.0,,0.0,0.0,,0.0,,,,0.0,0.0
CC1(C)OC(=O)C(=CNn2cnc3ccccc3c2=O)C(=O)O1,CID3244106,,,,,,,0.0,0.0,,0.0,,,,,,,
O=S(=O)(NCCCN1CCN(c2ccccc2F)CC1)c1cccc2cccnc12,CID5307948,0.0,,,0.0,,,,,,,,,,,,,
CCN1CCN(C(=O)c2cc3c(=O)oc4ccc(C)cc4c3s2)CC1,CID5307947,0.0,,,,,,,,,,,,,0.0,,,
O=C1CCc2cc(S(=O)(=O)NC(Cc3ccccc3)C(=O)NCC3CCCO3)ccc2N1,CID5307941,,,,,,,0.0,,,,0.0,,0.0,,,0.0,0.0
CCN1CCN(CCNC(=O)C2CCCN(Cc3nc(-c4cccc(Cl)c4)oc3C)C2)CC1,CID5307943,,,,,,,,,,0.0,,,,,,,
O=C1CCCc2c1nc(-c1ccco1)n2O,CID657675,,,,,,,,,,,,,0.0,,,,
O=C(Cn1cnc2ccccc2c1=O)c1ccc2ccccc2c1,CID680336,,,,,,,,,0.0,,,,,0.0,,,
CC1CCN(S(=O)(=O)c2ccc(-c3nnc(SCc4cccnc4)o3)cc2)CC1,CID645586,0.0,,,0.0,0.0,,,,,,,,,,,,0.0
CC(C)N1C/C(=C/c2ccsc2)C(=O)/C(=C/c2ccsc2)C1,CID1931465,,,,,,,,,,,,,,0.0,,,
O=c1oc2ccc3ccccc3c2cc1-c1nc2ccccc2o1,CID395987,,,,,,,,,,,0.0,,,,,,
Fc1ccc(-n2nccc2-c2cc(Cl)sc2Cl)cc1,CID1477321,,,,,,,,,,0.0,,,,,,,
CCOC(=O)/C(C#N)=C1/C=CN(Cc2ccccc2)C=N1,CID2057268,0.0,,,,,0.0,,0.0,0.0,,0.0,0.0,0.0,,,0.0,
C=CCC1(O)C(=O)N2C(=C1C(=O)OCC)c1ccc3ccccc3c1CC2(C)C,CID3450986,,,,,,0.0,,,,,,,,,,,
O=C(CSc1cccc2cccnc12)Nc1ccc(/C=C/c2ccccc2)cc1,CID2264065,,,,,,0.0,,,,,,,,,,,
CCN(CC)C1=CC(=O)/C(=C/NN2CCN(Cc3cccc4ccccc34)CC2)C=C1,CID5726879,,,,,,0.0,,,,,,,,,,,
O=C1CC(N2CCCCCC2)C(=O)N1c1ccc2c(c1)OCO2,CID2943589,,,,,,,,,0.0,,,,,,,,
COc1cc(C)c(-c2nc(CN3CC4CC(C3)c3cccc(=O)n3C4)c(C)o2)cc1C,CID16190706,,,,,,,,,,,,,,0.0,,,
CCN(CC)C(=O)C1CCN(CC2CC=CCC2)CC1,CID645987,,,,,,,,0.0,,,,,,,,0.0,
O=C(Oc1ccccc1C(=O)Oc1ccccc1)c1cccnc1,CID836329,,,,,,,,,,,,,,0.0,0.0,,
O=C(c1ccco1)N(Cc1ccco1)c1ccc(O)cc1,CID1259858,,,,0.0,,,0.0,0.0,,,0.0,,0.0,,,,
COCCn1c(C)cc(C(=O)COc2ncnc3ccc(Br)cc23)c1C,CID2124629,,,,,,,,,,,,,,,0.0,,
COc1ccc(/C=N/NC(=O)CCc2c(C)n[nH]c2C)cc1O,CID687645,,,,,,,,,0.0,,,,,,,,
Cc1sc2nc(SCC(=O)N3CCOCC3)[nH]c(=O)c2c1C,CID674097,0.0,0.0,,0.0,0.0,,,,,,0.0,,,,,,
O=C(Oc1cccc(-n2cnnn2)c1)C1CCCCC1,CID647260,,0.0,,0.0,,,0.0,,,,,,,,0.0,0.0,
COc1cccc(NC(=O)C(=O)NCc2cccnc2)c1,CID1989945,,,,,,0.0,,,,,,,,,,,
COc1ccc(C2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)C3c2coc3ccc(C)cc3c2=O)cc1OC,CID2962872,,,,,,,,,,,,,,0.0,,,
CC(C)C1Cc2[nH]c(=O)c(C(=O)O)cc2CO1,CID2960025,,,,,,,,0.0,0.0,,,,0.0,,,,
O=C(Nc1nc2ccc(C(=O)N3CCCCC3)cc2s1)C1CCCCC1,CID1160385,,,,,,,,,,,,,,0.0,,,
C=C(C)CC1Nc2ccccc2NC1CC(=C)C,CID2882073,,,,0.0,,,,,,,0.0,,0.0,,0.0,,
Cc1ccc(-n2nnc3ccccc3c2=O)cc1C,CID291819,,,0.0,0.0,,,,0.0,,,,,0.0,,,,
Cc1ccc(/C=C2/SC(=S)N(CCC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc1,CID1346655,,,,,,,,,,,,,,0.0,0.0,,
COc1cccc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1OC,CID998945,,,,,,,,,,,,,,0.0,,,
O=[N+]([O-])c1ccc(N2CCOCC2)cc1NC(c1ccccc1)c1ccccc1,CID2870770,,,,,,,,,,,,,,,0.0,,
CCc1cc2c(=O)c(-c3ccon3)c(N)oc2cc1OC,CID1548053,0.0,0.0,,0.0,0.0,0.0,,,,,,,,,,,
Nc1nonc1OCCc1ccccc1,CID659596,,0.0,,0.0,,,,,0.0,,,0.0,,0.0,0.0,0.0,
O=C(O)c1cc(S(=O)(=O)N2CCOCC2)c(Sc2ccccn2)cc1Sc1ccccn1,CID2261547,,,,,0.0,,,,,,,,,,,,
O=C(NCc1ccco1)c1ccc(S(=O)(=O)N2CCOCC2)cc1,CID2856444,,,,,,0.0,,,,,,,,0.0,,,
Cn1nnc2cc(C(=O)Nc3ccc4ccccc4c3)ccc21,CID1088568,,,,,,,,,,,,,,0.0,,,
N#CC1=C(N)SC(N)=C(C#N)C1c1cccc(Oc2ccccc2)c1,CID825714,,,,,,,,,,0.0,,,,,,0.0,
Cc1ccc(S(=O)(=O)N2CC3CCC2C3)cc1,CID3243239,,0.0,,,,0.0,,,,,,,0.0,,,,
CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1,CID3236124,,,,,0.0,0.0,,,,,,,0.0,0.0,,,0.0
CCOC(=O)N1CCN(C(=O)c2nc3ccccc3s2)CC1,CID900713,,,,,,,0.0,,,0.0,,0.0,,,,,
Cc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)nc2c1c(=O)oc1ccccc12,CID3236129,,,0.0,,,,,,,0.0,0.0,,,,,,0.0
COc1cc(C2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)cc2)ccc1O,CID2852357,,,,,,,,,,,,,,,0.0,,
CCOC(=O)N1CCN(C(=O)c2ccc3nc(C)sc3c2)CC1,CID900718,,0.0,,,,,0.0,0.0,,,,,0.0,,,0.0,0.0
O=C(CSc1ccccn1)N1CCN(C(=O)CSc2ccccn2)CC1,CID647080,0.0,0.0,,,0.0,0.0,,,,,,,,,,,0.0
N=C1c2ccccc2CN1NC(=O)c1ccccc1,CID4452901,,,,,,,,,,,,,,,0.0,,
O=C(Cn1nnc(-c2ccccc2)n1)OC1CCOC1=O,CID2997552,,,,,,,,0.0,,,,,0.0,,,,0.0
CC(C)C(NS(=O)(=O)c1cccc2nsnc12)C(=O)NCCC1=CCCCC1,CID9550622,,,,,,,,,,,,0.0,,,,,
COc1cc(OC)cc(C(C(=O)NC2CCCCC2)N(C(=O)c2ccno2)c2ccccc2)c1,CID3207863,,,,,,,,,0.0,,0.0,0.0,,,,,
CCn1cc(C2C(C(=O)Nc3cc(C)ccn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c(C)n1,CID15945723,,,,,,,,,,,,,,,0.0,,
OC(CC1CC12c1ccccc1-c1ncccc12)(c1ccccc1)c1ccccc1,CID3091502,,,,,,,,,,0.0,,,,,,,
Cc1cc(NC(=O)CSc2nnc(-c3ccccc3)n2Cc2ccco2)no1,CID1071707,,,,,,,,,,,0.0,,,,,,
O=C(c1ccco1)n1nc(-c2ccco2)nc1SCc1ccccc1,CID1289319,,,,,,,,,,,,0.0,,,,,
Cn1cnc(S(=O)(=O)NCc2cccs2)c1,CID3242095,,0.0,,0.0,,,0.0,,,,,,,,,,0.0
O=c1c2ccccc2ncn1-c1ccc2c(c1)OCCO2,CID800651,,,0.0,,,,0.0,,,,,,,0.0,,,
CN(C)c1ccc(NC(=O)c2ccncc2)c2ccccc12,CID656239,0.0,,,,0.0,,0.0,,,,,,,,,,
CC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)NC3CCN(Cc4ccccc4)CC3)ccc21,CID3236212,,,0.0,0.0,0.0,,,,,,,,,,,,
CC1(C)CC(=O)C=C(NC2CCCCCCC2)C1,CID5110555,,,,,,,,,,0.0,,,,,,,
CC(=O)c1cccc(NS(=O)(=O)N2CCCCC2)c1,CID1258596,,,0.0,0.0,,,0.0,0.0,,,,0.0,,,,,0.0
COc1ccc(CCNC(=O)Cc2cc(OCc3ccccc3)c(OC)cc2[N+](=O)[O-])cc1OC,CID286290,,,,,,,,,,,,,,0.0,,,
O=C(NCCCN1CCOCC1)c1cc2c(=O)[nH]c3ccccc3c2s1,CID3237845,,0.0,,,0.0,,,,0.0,,,,0.0,,,0.0,
O=C(c1ccc2c3c(cccc13)CC2)N1CCN(c2ncccn2)CC1,CID895152,,,0.0,0.0,,,,,,,,,0.0,,,,0.0
COc1cc(OC)cc(C(=O)NCC(=O)OCC(=O)c2cc(C)n(Cc3ccco3)c2C)c1,CID2470035,,,,,,,,,,,,,,0.0,,,
Cc1[nH]c2ccccc2c1C(=O)Cn1c(=O)oc2ccccc21,CID2470039,,,,,,,,,,,,0.0,,,,,
O=C1c2cccc3cccc(c23)C(=O)N1c1cccnc1,CID854265,,,0.0,0.0,,0.0,,0.0,,,,0.0,0.0,,,,
O=S(=O)(c1ccccc1)c1nc(-c2ccco2)oc1NCc1ccco1,CID1244673,,,,0.0,,,,,,,0.0,,,,,,
O=S(=O)(c1ccccc1)c1nc(-c2ccco2)oc1NCCN1CCOCC1,CID1244675,,,,,,,,,,,0.0,,,,0.0,,
CN1CCN(c2oc(-c3ccco3)nc2S(=O)(=O)c2ccccc2)CC1,CID1244679,0.0,0.0,0.0,,,,,0.0,,,0.0,,,,,,
Cc1cc(C(=O)COC(=O)Cc2n[nH]c(=O)c3ccccc23)c(C)n1-c1ccc2c(c1)OCCO2,CID2500614,,,,,,,,,,,,,,,0.0,,
O=C(NCc1ccc2c(c1)OCO2)C1CC(=O)N(CCc2ccccc2)C1,CID4129976,,0.0,0.0,,,0.0,,,,,,0.0,,,,,
CC(=O)Nc1cc2c(=O)n(Cc3ccccc3)c(C)nc2cc1N1CCOCC1,CID647632,0.0,0.0,,,,,,,,,,0.0,,,,0.0,
N#CC1=C(N)NN/C1=C1\C=C2CCCCC2=N1,CID5762165,,0.0,,,,,,,,,,0.0,,,,,
O=C(c1ccc(N2CCNCC2)cc1)c1cccnc1,CID1510322,,0.0,,,,,0.0,,,,,0.0,,,,,
C=C(C)C1Cc2c(C)nn(-c3ccccn3)c2C1,CID3727847,,,,,,0.0,,,,,,,,,,,
O=C(NCCc1ccccc1)c1ccc(NC2=NC3CS(=O)(=O)CC3S2)cc1,CID3607666,,,,,,0.0,,,,,,,,,,,
O=C(CN1CCCCCC1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1,CID1152708,,,,,,,,,,,,,,0.0,,,
Clc1nc2ccccc2cc1-c1nnn(-c2ccccc2)n1,CID16066557,,,,,,,,,,,,,,0.0,,,
CS(=O)(=O)N(CC(=O)NCc1cccnc1)Cc1ccc(Cl)cc1,CID2230213,,,0.0,0.0,0.0,,,,,,,0.0,0.0,,,,0.0
CC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,CID4150285,,,,,,0.0,,,,,,,,,,,
O=C(c1ccco1)N1CCn2c1nc1ccccc12,CID775878,,,,,,,,0.0,0.0,,0.0,,,,0.0,0.0,
C(=N/c1nccs1)\c1cccnc1,CID689404,,,,,,,,,0.0,,,,,,,0.0,
COc1cc2cc(C(c3nnnn3C3CCCC3)N3CCCCC3)c(=O)[nH]c2cc1OC,CID651127,,,0.0,0.0,,,,,,,,0.0,,,,,0.0
Cc1cc(NC(=O)CSc2ccc3nnc(-c4cccs4)n3n2)no1,CID5310168,,,,,,0.0,,,,,,,,,,,
CC1(C)Cc2c(c(-c3ccco3)[nH]c(=O)c2C#N)CO1,CID687353,,0.0,0.0,,,,,,,0.0,,,0.0,,,,
Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)NC3CC3)cc2)cc1,CID2219119,,,,,,,,,,0.0,,,,,,,
Cc1cc(C)n(-c2nc(O)cc(=O)[nH]2)n1,CID1210988,,,,,,,,,0.0,,0.0,,,0.0,,,
Cc1c(O)c(CN2CCCC2)cc2c1oc(=O)c1ccccc12,CID5389554,,,0.0,,,0.0,,,,,,,,,,,
N=c1c2c(-c3ccccc3)c(-c3ccccc3)oc2ncn1CCCN1CCOCC1,CID666037,0.0,,0.0,,,0.0,,0.0,,,0.0,,0.0,,,,
Cc1cc(C)c2c(n1)nn1c(-n3ccnc3)cc(C)nc21,CID666038,,,0.0,0.0,,,,,,,,,,,,,
COc1ccc2c(CN(C)c3ccccc3)cc(=O)oc2c1,CID2697490,,,,0.0,,,,,,,,,,,0.0,,
Clc1ccc(C2Nc3ccccc3-n3cccc32)cc1,CID2809408,0.0,,0.0,0.0,,,,,,,,,,,0.0,,
Cc1noc(C)c1COC(=O)c1cc2c3ccccc3n(C)c2s1,CID2107577,0.0,,0.0,0.0,,,,,,0.0,,0.0,0.0,,,,
OC1C2CCC1C(N1CCCCC1)CC2,CID659331,,,,,,,,0.0,,0.0,,0.0,,,,,
Cc1c(C(=O)CN2CCOCC2)[nH]c2ccccc12,CID659335,,,,0.0,,,,0.0,,,,,,,,,
CCOC(=O)c1c(C)n(CC(O)c2ccccc2)c2ccc(O)cc12,CID659337,0.0,,0.0,,,,,,0.0,,,0.0,0.0,0.0,,0.0,
O=c1[nH]c2cnccc2n1-c1ccccc1,CID659338,,,,,,,0.0,,,,,,,,,,
Cc1ccc2c(c1)CN1CN2Cc2cc(C)ccc21,CID196981,,,,0.0,,0.0,,0.0,,,,,,,,,
CCCCn1c(=O)n(C)c(=O)c2c3c(sc21)COC(C)(C)C3,CID658069,,0.0,,,,,0.0,0.0,,,,,,,,,0.0
O=C(C1CCCN(S(=O)(=O)Cc2ccccc2)C1)N1CCc2ccccc21,CID650256,,,0.0,,,,,,,,,,,,,,
Cc1ccc(-c2csc(N3CCC(NS(=O)(=O)c4ccc5c(c4)OCCO5)CC3)n2)cc1,CID650250,,,,,,,,,,,0.0,,,,,,0.0
O=c1cn[nH]c(NCc2ccccc2)n1,CID650251,,0.0,,,,,0.0,0.0,,,,,0.0,0.0,,,
COCCn1nnnc1C(C(C)C)N(Cc1cccnc1)Cc1ccccc1Cl,CID650252,,,0.0,,,,,,,,,,0.0,,,,
CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)NCc3ccncc3)CC2)cc1,CID650253,0.0,,,,,,,,0.0,0.0,0.0,,,,,,0.0
COc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)N2CCCCCC2)c1,CID4252311,,,,,,,,,,,,0.0,0.0,,,0.0,
O=C(NCc1cccs1)c1cc2c(s1)CCCC2,CID2675106,,,,,0.0,,0.0,,,,,,,,,0.0,
Cc1cc(C(=O)CSc2nn(-c3ccccc3)c(=S)s2)c(C)n1Cc1ccco1,CID2532303,,,,,0.0,,,,0.0,,,,,,,,
CC(=O)N1CCN2C(=O)C1CCCC(=O)c1cc(C)ccc12,CID2829066,,,,,,,,,,0.0,,,,,,,
COc1ccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)c2ncccc12,CID655362,,0.0,,0.0,,0.0,,,,,,,,,,,
O=C(CN(Cc1ccc2c(c1)OCO2)C(=O)CNS(=O)(=O)c1ccccc1)NCC1CCCO1,CID655360,,,,,0.0,,0.0,,0.0,,0.0,,,,,,0.0
COc1ccc(Cc2nnc(SCC(=O)NCC3CCCO3)o2)cc1,CID648099,,0.0,0.0,,0.0,0.0,,,,,0.0,0.0,,0.0,,,
COc1cccc(CNC(=O)C2CCN(c3cnccn3)CC2)c1,CID655369,,0.0,0.0,,,,,,,,,,,,0.0,,
CCOC(=O)N1CCN(c2c(N3CCN(c4cccc(C(F)(F)F)c4)CC3)c(=O)c2=O)CC1,CID3238407,,,,,,,,,0.0,,,,,,,,
O=C(CCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)N1CCN(C2CCCCC2)CC1,CID3238403,,,0.0,,,,,0.0,,,,,,,,,0.0
CCn1c(=O)cc(OCC(=O)NCC2CCCO2)c2ccccc21,CID3238400,,,,,0.0,,,0.0,,,0.0,,,,,,0.0
COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)NCCCN4CCCC4)ccc3c2=O)cc1,CID3238409,,0.0,,,,,,,0.0,,,,,,,0.0,0.0
O=C(O)C1CC(=O)N(C2CCCCCC2)C1,CID3238408,,,0.0,,,,,,,,,,0.0,,,,
O=C(CSc1n[nH]c(-c2ccco2)n1)Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2,CID2205156,,0.0,,0.0,,,,,,0.0,,,,,,0.0,
COc1ccc(CC(=O)OCC(=O)NCc2ccc(Cl)cc2)cc1,CID2539687,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C1CCN(c2c(NC3CCCc4ccccc43)c(=O)c2=O)CC1,CID5307567,,,0.0,0.0,,,0.0,,,,,,,,,,
S=c1sc2c(Cl)ncnc2n1-c1ccccc1,CID373692,,,,,,,,,,,,,,0.0,,,
Cn1nnc2cc(C(=O)N3CCN(c4ccccc4)CC3)ccc21,CID976394,,0.0,,,,,0.0,,,,,0.0,0.0,,,,
CCOC(=O)N1CCC(N2Cc3cccc(C(=O)N4CCN(C5CCCCC5)CC4)c3C2=O)CC1,CID5309085,0.0,,,0.0,,,,,,,,,,,,0.0,
Cc1nc2ccccc2c2oc(C(=O)N3CCc4ccccc4C3)cc12,CID5309080,0.0,,,,,0.0,,,,,,,,,,,
O=C1CCc2cc(S(=O)(=O)NC(Cc3ccccc3)C(=O)NC3CCCC3)ccc2N1,CID5309081,,,,0.0,,0.0,,,,,,,,,,,
O=S(=O)(NCCOc1cccc2cccnc12)c1ccc(F)cc1,CID2228538,,,,0.0,,,,0.0,,0.0,,0.0,,,,,0.0
Cn1c(SCC(=O)NC2CCCCCC2)nnc1-c1cccs1,CID1292481,0.0,0.0,0.0,,0.0,0.0,,,0.0,,0.0,,0.0,,,,
O=C(Nc1ccc2c(c1)OCCO2)NC1CCCCC1,CID844261,0.0,,,0.0,,,,,,,,,,,,,
O=C(c1nn(Cc2ccccc2)c(=O)c2ccccc12)N1CCc2ccccc2C1,CID2474781,,,,,,,,,0.0,0.0,0.0,,,,,,
O=C1Nc2ccccc2C(=O)/C1=C(\O)NCC1CCCO1,CID5757392,,0.0,,,,,,0.0,,,,,,0.0,,,
O=C1CCc2cc(S(=O)(=O)N3CCC(C(=O)Nc4nccs4)CC3)ccc2N1,CID5308930,,0.0,,,,,,,,,,,,,,0.0,
Cc1noc(C)c1S(=O)(=O)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,CID5308933,0.0,0.0,,,,,,,,,,0.0,,,,,
CC(C)(C)c1ccc(N2C(=O)Cc3c2nc(N)c(C#N)c3N)cc1,CID4083626,,,,,,,,,,,,0.0,,,,,
O=S(=O)(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1,CID1340132,,,,,,0.0,,,,,,,,,,,
CC(C)c1ccc(/C=N/Nc2cc(N3CCOCC3)nc(N3CCOCC3)n2)cc1,CID2892598,,,,,,,,,,,,,,,0.0,,
Cc1csc(NC(=O)C(CC(C)C)NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)n1,CID5307686,,0.0,,,,0.0,,,,,,0.0,,0.0,,0.0,
O=C(C1CCCN(S(=O)(=O)c2cnc[nH]2)C1)N(CCc1ccccc1)Cc1ccccc1,CID5307687,,0.0,,0.0,,0.0,,0.0,,,,,,,,0.0,
Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)NC3CC3)sc21,CID5307685,0.0,,,,,0.0,,,,,,,,,,,
Cc1ccccc1Cn1nc(C)c(NC(=O)c2sc3ccccc3c2Cl)c1C,CID1226136,,,,,,,,,,,,0.0,,,,,
COc1ccc2c(c1)CCc1cc(C(=O)N3CCN(c4ccc(N5CCOCC5)nn4)CC3)sc1-2,CID5307683,,,,0.0,,,,,,,,,,,,0.0,
O=C(Cn1ncc2c(=O)oc3ccccc3c21)NCC1COc2ccccc2O1,CID5307680,,,,,,,0.0,,,,,,,,,,
O=C(Cc1cccs1)OCC(=O)c1ccco1,CID2355064,,,0.0,0.0,,,,,0.0,,,,0.0,,,,
Cc1cc(Cl)c(S(=O)(=O)NCc2cccnc2)cc1OCC(=O)NC1CCCCC1,CID2953534,,,,,,,,,0.0,,,0.0,,,,,
CCOc1ncccc1C(=O)OCc1cc(=O)oc2c(C)c(C)ccc12,CID2535249,,,,,,,,,,,,,,,0.0,0.0,
CCOC(=O)c1ccc(NC(=S)N(CCCN2CCCC(C)C2)Cc2cccs2)cc1,CID16193184,,,,,,,,,,,,,,,0.0,,
Cc1ccc(OCCNS(=O)(=O)c2cccs2)cc1,CID2998241,,,,,,0.0,0.0,,,,,,0.0,,,,
O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Oc1ccc2c(c1)OCO2,CID2111356,,,,,,,0.0,,,0.0,,,,,,,
CC(=O)c1cccc(-n2nnnc2SCC(=O)NNC(=O)C2CCCCC2)c1,CID1452367,,,,,,,,,,,,,,,0.0,,
O=C(CN1CCCc2ccccc21)NCc1ccc2c(c1)OCO2,CID2089854,,0.0,0.0,0.0,0.0,,0.0,,,,,,,,,,
COc1ccc(/C=C/c2nnc(NC(=O)CSc3ccc(Cl)cc3)s2)cc1,CID6038790,,,,,,,,,,,,,,0.0,,,
CC(=O)N1CCCc2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21,CID3241788,,,,0.0,,,0.0,0.0,0.0,,,,,,,,0.0
O=C(O)C1CCCCC1C(=O)Nc1cnn(Cc2ccccc2)c1,CID3241789,,,,,0.0,0.0,,,0.0,,,,,,,,
Cn1c(=O)cc(OCC(=O)NCc2ccccn2)c2ccccc21,CID3241782,,,,,0.0,,,,,0.0,,,,,,,
CCc1ccc(NC(=S)N(CCN2CCOCC2)Cc2ccccc2F)cc1,CID6624394,,,,,,,,,,,,,,,0.0,,
Cc1cccc(C2Nc3ccccc3C(=O)N2CCc2ccccc2)n1,CID2921773,,0.0,,,,0.0,0.0,,,,,,,,,,
Cc1c(NC(=O)C(C)OC(=O)CC2Sc3ccccc3NC2=O)c(=O)n(-c2ccccc2)n1C,CID2999112,,,,,0.0,,,,,,,,,,,,
O=[N+]([O-])c1ccc(N2CCN(c3nc(-c4ccc(Cl)cc4)cs3)CC2)cc1,CID2920427,,,,,,,,,,,,0.0,,,0.0,,
Cc1cccc2cc(CN(Cc3nnnn3C3CCCCC3)C3CCCC3)c3nnnn3c12,CID1459675,,,,,,,,,,,0.0,,,,,,
COc1ccc(OC)c2sc(NC(=O)C3CC3)nc12,CID2150738,,,,0.0,0.0,0.0,,0.0,,,,,,,,,0.0
Cc1ccc(-c2nc3ccccc3n3nnnc23)cc1,CID739097,,,,,,,0.0,,,,,,,,,,
O=C(Cc1cccc2ccccc12)N1CCN(c2ncccn2)CC1,CID2129239,,,,,,,,,,,,,,0.0,0.0,,
O=C(OCn1nnc2ccccc2c1=O)C1CCN(S(=O)(=O)c2cccs2)CC1,CID2121421,,,0.0,,0.0,,,,,,0.0,,,,,,0.0
CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3sc4c(c3C(N)=O)CCCC4)c2)CC1,CID2431454,,0.0,,,,,,,0.0,0.0,,,,,,0.0,
NC(=O)c1cc2ccc(=O)cc-2oc1NCc1ccccc1,CID3242471,0.0,,,0.0,0.0,,,,,,,,,,,,
CN1CCN(C(=O)C2CCN(S(=O)(=O)c3cnc[nH]3)CC2)CC1,CID3241121,,,,0.0,,,,,,,,,,,,,
CCC1CCCCN1CCNC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1,CID3241123,,,,,0.0,0.0,,0.0,,,,,,,,,
O=C(C1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CCc2ccccc21,CID3241125,,,,,,,,,,,,,,,,,0.0
Cc1nnc(SCCn2c(N3CCC(Cc4ccccc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)s1,CID3241126,,,,,,,,,,,,,,,,0.0,
Cc1ccccc1Nc1nnc(SCc2nc(=O)c3ccccc3[nH]2)s1,CID2430122,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(C2NC(=S)NC3=C2CCc2cc(OC)ccc23)cc1,CID2833410,,,,,,0.0,,,,,,,,,,,
CC1=CC(=C(C#N)c2nc3ccccc3s2)C=C(C)N1Cc1ccco1,CID2308215,0.0,,,0.0,0.0,,,,,,,,,,,0.0,
O=C(COC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1)NCC1CCCCC1,CID4385691,,,,,,,,,,,,,,,0.0,,
COc1cc(NS(=O)(=O)c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)ncn1,CID2923199,,0.0,0.0,,,,,0.0,,,,0.0,0.0,,,,0.0
O=C1CSC(NC(=O)N2c3ccccc3Sc3ccccc32)=N1,CID672160,,,,,0.0,,0.0,,0.0,,,,0.0,,,,
COc1cc2c(cc1NC(=O)CSc1ccccn1)oc1ccccc12,CID2357033,,,,,,0.0,,,,,,0.0,,,,,
O=C(CN1C(=O)C2CCCN2c2ncc(Cl)cc21)NCc1ccc2c(c1)OCO2,CID3244024,,,,,,,,,,0.0,,,,,,,
C=CCn1c(O)cc(=O)nc1SCC(=O)NC12CC3CC(CC(C3)C1)C2,CID659272,,,,0.0,0.0,,0.0,,,,,,,,,0.0,
Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nn[nH]n1,CID2163470,0.0,,0.0,0.0,,,0.0,,,,,,,,,,
O=C(c1cccs1)N1CCN(S(=O)(=O)N2CCCCC2)CC1,CID1258912,0.0,,0.0,,,,0.0,,,,,,0.0,,0.0,,
COC(=O)N1C(c2ccccc2)C1c1ccccc1,CID2832767,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccccc1)/C(=C/c1ccccc1)NC(=O)c1ccco1,CID1898490,,,,,,,,,,,,,,,0.0,,
CN(C)c1nc2ccc(OCCN3CCCCC3)cc2s1,CID566936,,0.0,,0.0,,,0.0,,,,,0.0,,,,,
O=C(NCC(=O)N1CCCC1)c1cccs1,CID3235944,,,,,0.0,,,0.0,,,,,,,0.0,,
O=C(CCS(=O)(=O)c1ccc(Br)cc1)N1CCN(Cc2ccccc2)CC1,CID3235946,0.0,,,,,,0.0,,,,,,,,,0.0,
COC(=O)CN1C(=O)C2(C(C#N)=C(N)Oc3n[nH]c(-c4cccs4)c32)c2ccccc21,CID3235943,,,,,0.0,,,,,0.0,,,,,,,
CC(=O)N1CCN(C2=NC(=O)/C(=C\c3cccs3)S2)CC1,CID1586676,,,,,,,,,,,,,,0.0,0.0,,
CSC1=NCCN1C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1,CID3448346,0.0,0.0,0.0,,0.0,,,,,,,,,,,,
Cc1cc(C)n2cc(-c3ccc(Cl)cc3)c(C(=O)O)c2n1,CID1473716,,,,,,,,,,,,,,0.0,,,
Cc1cc(C(=O)CSc2nnc(-c3cccs3)n2Cc2ccccc2)c(C)n1C,CID2081723,,,,,0.0,0.0,,,,0.0,,,,0.0,,,
CCC1(C)Cc2c(sc3[nH]c(=O)[nH]c(=O)c23)CS1,CID657862,,,,,,,0.0,,,,,,,,,,0.0
O=C(CSCc1ccccc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1,CID1137830,,,,,,,,,,,,,,0.0,,,
Cc1nnc(SCc2ccccc2)nc1/C=C/NOCc1ccc(Cl)cc1Cl,CID6418533,,,,,,,,,,,,,,,0.0,,
O=C(N1CCCCCC1)n1c(Cc2ccccc2)nc2ccccc21,CID2927998,,,,,,,,,,,,,,,0.0,,
Cc1nc2ccc(N3C(=O)CCC3=O)cc2[nH]1,CID886975,,0.0,,,,,,0.0,0.0,,,0.0,,,0.0,,0.0
Cc1cc(-c2ccccc2)nc(SCc2ccc(C(=O)O)o2)n1,CID2237836,,,,,,,0.0,,0.0,,,,0.0,0.0,0.0,,0.0
O=C(O)C1CC=CCC1C(=O)NNc1ccccc1,CID3669383,,,,,,,,,,,,,,,0.0,,
Cc1nn(Cc2ccccc2)c2sc(C(=O)NCc3cccnc3)cc12,CID2099780,0.0,0.0,0.0,,0.0,0.0,0.0,,,,,,0.0,,,0.0,0.0
c1ccc(N2CCN(CCc3nnc4n3CCCCC4)CC2)cc1,CID2318726,0.0,0.0,,0.0,,,,0.0,,0.0,,,0.0,,,,
Cc1cccc(NC(=O)c2cnc3sccn3c2=O)n1,CID4641020,,0.0,,,,,0.0,,,,,,,,,,
c1ccc(N2CCN(Cc3cn4cccnc4n3)CC2)cc1,CID916985,,0.0,0.0,,,,,0.0,,,,0.0,,,,,
CC1=C(C)CC(C(=O)NNC(=O)c2csc3c2CCC(C(C)(C)C)C3)C(C(=O)O)C1,CID3499461,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1cc(CC)sc1NC=C1C(=O)CCCC1=O,CID3787031,,,,,,,,,,,,,,0.0,,,
COc1ccc2c(c1)S/C(=C\C(=O)c1ccncc1)N2C,CID2147354,,,,,,0.0,0.0,,,,,0.0,0.0,0.0,,,0.0
CC1CCCN(c2ccc(C(=O)NCc3ccccc3)cn2)C1,CID3192345,,,,,,,,,,,,,,,0.0,,
Cn1c(SCC(=O)N2CCCC2)nnc1-c1cnccn1,CID1429056,,,,,,,,,,,,,,,0.0,,
Cc1cc(=O)nc(/N=C(\N)Nc2ccc3c(c2)OCCO3)[nH]1,CID2056015,,,,,,,,,,,,,,,0.0,,
Cc1ccc(S(=O)(=O)NCCC(c2ccccc2)c2ccco2)cc1,CID2930513,,,,,,,,,,,,,,0.0,,,
O=C(COc1ncnc2ccccc12)Nc1ccccc1[N+](=O)[O-],CID4452007,,,,,,,,,,,,,,0.0,,,
O=C(CCCCCn1c(=O)[nH]c2ccsc2c1=O)NCc1ccc(F)cc1,CID9551438,,,,,,,,,0.0,,,,,,,,
CC(=O)Nc1sc2c(c1C(c1cccs1)N1CCOCC1)CCCC2,CID3241607,,,,,0.0,0.0,,,,,,,0.0,,,,
CCOC(=O)c1nnc(-c2cccs2)nc1Oc1ccccc1C(=O)OC,CID6411673,,,,,,0.0,,,,,,,,,,,
COc1ccccc1-n1c(SCC(=O)N2CCOCC2)nc2cccnc21,CID3214235,,,,,,,,,,,,,,,0.0,,
Cc1noc(C)c1CSCC(=O)Nc1nc2ccc(Oc3ccccc3)cc2s1,CID2533134,,,,,,0.0,,,,0.0,,,,0.0,,,
C=C(C)Cn1c(Sc2nc3ccccc3[nH]2)nc2c1c(=O)[nH]c(=O)n2C,CID666581,,0.0,0.0,0.0,0.0,,,,,0.0,0.0,,,,,0.0,
Cn1c(=O)oc2cc(S(=O)(=O)NCc3ccncc3)ccc21,CID666580,,,,,,,,0.0,0.0,0.0,,,,,,,
Cc1onc(-c2ccccc2)c1C(=O)NC(=S)NNC(=O)c1ccc(O)cc1,CID5191412,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C1C(=O)NC(N2CCN(c3ccccc3)CC2)=NC1c1ccco1,CID666584,,0.0,,,,,,,,,0.0,,,,,,
N=c1c2c3c(sc2ncn1CCN1CCOCC1)CCCC3,CID666586,,0.0,,0.0,,,,,,,,,,,,,
COC(=O)c1sc2nc(-c3ccco3)ccc2c1N,CID667277,,0.0,,0.0,,,,,,,,,,,,,
O=C(NNC(=O)c1cccs1)c1ccc(Br)o1,CID729919,,,,,,,,,,,,,,1.0,,,
Cc1nc2c(o1)CCc1ccccc1C2O,CID612016,,0.0,,,,,,,,,,,,,,0.0,
O=c1c2c3nc4ccccc4nc3n(-c3ccc4c(c3)OCCO4)c2ncn1C1CCCC1,CID661742,,,,0.0,,0.0,,,,,,,0.0,,,0.0,
Cc1cc(-c2ccccc2)c2c3c(cn2n1)c(=O)n(C)c(=O)n3C,CID807069,,0.0,0.0,0.0,,,,,,,,0.0,0.0,,0.0,,
CC1(C)Cc2c(sc3ncn4nc(CSc5nc6ccccc6o5)nc4c23)C(C)(C)N1,CID1111994,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1ccc(/N=C/c2nc3ccccc3n2C)cc1,CID873035,0.0,,0.0,,,0.0,0.0,,,0.0,,,0.0,,0.0,0.0,
O=C1C2C3C=CC(C3)C2C(=O)N1c1ccc2c(c1)OCO2,CID2860220,,,,,,,,,,,,,,,,,0.0
Cc1nc(=O)c(-c2ccccc2)c(C)n1Cc1ccco1,CID751759,0.0,,,,,0.0,0.0,,,,,,,,,0.0,
O=S(=O)(Nc1cccc2[nH]ncc12)c1cccs1,CID2768268,,,,,,,,,,,,,,,0.0,,
Cc1ccc(-c2nnn(CC(=O)N(CCO)C(C(=O)NC(C)(C)C)c3ccncc3)n2)cc1,CID649957,,,0.0,0.0,,,,,,,,,0.0,0.0,,,
CCCn1c(SCC(=O)NCCc2ccccc2)nnc1-c1cccnc1,CID649956,0.0,0.0,,,0.0,0.0,,,0.0,,0.0,,,,,0.0,
O=C(C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)N1CCN(c2ncccn2)CC1,CID649950,0.0,,0.0,,,0.0,,,,,,,,,,0.0,0.0
COc1ccc(C(C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)CNC(=O)c2ccco2)cc1,CID3211569,,,,,,,,,,,,0.0,,,,,
CCOc1ccc(NC(=S)N(CCc2c(C)[nH]c3ccccc23)Cc2ccco2)cc1,CID3574188,,,,,,,,,,,,,,,0.0,,
CC1(C)Oc2ccc3ccc(=O)oc3c2/C(=C/Nc2ccccn2)C1=O,CID2295722,,,0.0,,,0.0,,,,,,,0.0,,,,
CC(/C=C/c1ccc2c(c1)OCO2)=N\NC(=O)c1ccccc1,CID692741,,,,,,,,,,,,,,,0.0,,
c1cnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)cn1,CID2454274,,,,,,,,,,,,,,,0.0,,
C=CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1,CID2115438,,,,0.0,,0.0,,,,,,,,,,0.0,0.0
CC1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)CC1,CID2977827,,,,,,,,,,,,0.0,,,,,
CN1C(=O)/C(=C\C2=C/C(=N/Nc3ccccc3)C=CC2=O)SC1=S,CID6871355,,,,,,0.0,,,,,,,,,,,
Cc1cccc(-c2nnc(-c3cccc(NC(=O)Cc4cccs4)c3)o2)c1,CID1026623,,,,,,0.0,,,,,,,,,,,
Cc1cccc(CNC(=O)CCc2nnc(C3CCCCC3)o2)c1,CID16188987,,,,,,,,,,,,,,0.0,,,
O=C(Nc1ccc(Oc2ccc(NC(=O)c3ccco3)c(NC(=O)c3ccco3)c2)cc1)c1ccco1,CID1026627,,,0.0,,,,0.0,,,,,,,,,,
COc1cccc(-c2cc3c(=O)n(-c4ccccc4)c(=S)[nH]c3s2)c1,CID1327115,,,,,,0.0,,,,,,,,0.0,,,
O=C(CSc1nnnn1-c1cccc2ccccc12)N1CCOCC1,CID1517492,,,,0.0,0.0,,,0.0,,0.0,0.0,,0.0,,,0.0,0.0
Cc1cc(C)nc(N2CCC(C(=O)NCc3cccs3)CC2)n1,CID656010,0.0,0.0,,,,,,,,0.0,,,,,,0.0,
CCn1cc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)c2cc(F)c(N3CCN(C(=O)c4ccco4)CC3)cc21,CID1900729,,,,,,,,,,,,0.0,,,,,
c1ccc(CNC2=NN=C(c3ccccc3)CS2)cc1,CID4882015,,,,,,,,,,,,,,,0.0,,
S=c1oc(-c2ccncc2)nn1CCc1ccncc1,CID797565,,,0.0,0.0,,,,0.0,,,,,,,,0.0,
COc1ccc(C(=O)N/C(=C/c2ccc(OCCOc3ccccc3OC)cc2)C(=O)NCC2CCCO2)cc1,CID5349611,,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccccc1)c1ccc(NCC2CCCO2)c(S(=O)(=O)N2CCOCC2)c1,CID2953795,,,,,0.0,,,0.0,,,,,,,,,
COc1ccc(C(=O)COC(=O)CCNC2=NS(=O)(=O)c3ccccc32)cc1OC,CID2571168,,0.0,,,,0.0,,,,,,0.0,,,0.0,,
O=C1C=C/C(=C(\Cc2cscn2)NO)C(O)=C1,CID5417947,,,,,,,0.0,,,,,,,0.0,,,
O=C(Oc1ccc(/C=N/Nc2ccccc2)cc1)c1ccccc1,CID2827250,,,,,,,,,,,,0.0,,,,,
CCCN1C/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)C1,CID2304584,,,,,,,,,,,,0.0,,,,,
O=C(c1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1)N1CCOCC1,CID652191,,,,,,0.0,,,,,,,,,,,0.0
CN(C)C(=O)N1CCN(C(=O)c2ccccc2Sc2ccccc2C#N)CC1,CID1314008,,,0.0,0.0,,,0.0,0.0,,,,,0.0,0.0,,0.0,
O=c1c2ccccc2sc2nc(C3CCCCC3)n(Cc3ccco3)c(=O)c12,CID666915,0.0,,0.0,0.0,,,,,0.0,0.0,,,,0.0,,,
CCOc1ccc(Nc2nc(=O)c3c([nH]2)CCC3)cc1,CID666910,,0.0,,,,,,,,,,,,0.0,,,
O=C(NCCC1=CCCCC1)C(c1ccccc1)c1ccccc1,CID1225173,,,,,,,,,,,,0.0,,,,,
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)C1c1ccc2c(c1)OCO2,CID5766372,,,,,,,,0.0,,,,0.0,0.0,,,,
O=C(N/N=C/c1ccccn1)C1COc2cc3ccccc3cc2O1,CID2867535,,,,,,0.0,,,,,,,,,,,
O=c1c2cnn(-c3ccccc3)c2nnn1Cc1ccccn1,CID651085,,,,,0.0,,,,,,,,0.0,,,,
c1ccc(-n2ncc3c2ncn2nnnc32)cc1,CID687493,,0.0,0.0,0.0,0.0,,,,,,,,,,,0.0,
CCC(C)(C)n1nnnc1C(c1cccs1)N1CCc2ccccc21,CID653829,0.0,,,,0.0,0.0,,,,,0.0,,,,0.0,,
Cn1nnc2cc(C(=O)N3CCCCCC3)ccc21,CID653825,,,0.0,,,,,,,,,,0.0,,,,
O=C(Cn1nnc(-c2ccncc2)n1)N(C1CCCCC1)C1CCCCC1,CID653823,,,,,,,,,,0.0,,,,,,,
N#Cc1c(NC(=O)CN2CCOCC2)oc(-c2ccccc2)c1-c1ccccc1,CID2235240,,,,,,,0.0,0.0,0.0,,,,,,0.0,,
COc1ccc(NC2=NN=C(c3ccc4c(c3)OCCO4)CS2)cc1,CID4877709,,,,,,,,,,,,,,,0.0,,
O=C1C2C3C=CC(C3)C2C(=O)N1CC1CCCO1,CID652778,,,,,,,,,,0.0,,,,,,,
COC(=O)C1CCN(C(=O)COC(=O)Cc2c[nH]c3ccccc23)CC1,CID2111880,,0.0,0.0,,,0.0,0.0,,,,0.0,,0.0,,0.0,,
O=C(O)c1ccc(S(=O)(=O)c2ccc3c(c2)C(=O)N(CC2CCCO2)C3=O)cc1,CID2866488,,,,,0.0,,,,0.0,0.0,,0.0,,,,,
CCN(CCCn1c(=S)[nH]c2ncccc2c1=O)c1ccccc1,CID3239656,,0.0,0.0,,,,,,,,,,0.0,,,,
O=C(Nc1cccc2c1CCCC2)C1CCCN(S(=O)(=O)c2cccc3nonc23)C1,CID3239652,,,,,,,,,,,,,,,,0.0,
COc1ccc(-c2nnc3ccc(SCC(=O)N4CCCCCC4)nn23)cc1OC,CID5310469,,,0.0,,,,,,,,,,,,,0.0,
CC1=CC=CN2C(=O)C(=C/Nc3ccc(Cl)cc3)/C(=N/CCO)N=C12,CID5310466,,,,,,,,,,,0.0,,,,,,
O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)NCc1ccc2c(c1)OCO2,CID5310464,,,,0.0,,,,,,0.0,0.0,,,,,,
Cc1cc(NC(=O)CN2CCN(Cc3ccccc3)CC2)nc2c1c(=O)oc1ccccc12,CID5310462,,,0.0,,,,,,,,,,,,,0.0,
Cc1cc(N2CCN(C3CCCCC3)CC2)n2nc(C)nc2n1,CID5308814,,0.0,,,,,,0.0,,,,,,,,,
O=C(C1CCCN(S(=O)(=O)c2cnc[nH]2)C1)N1CC(=O)N(CCc2ccccc2)C(=O)C1,CID5308258,,,,,,,,,,,0.0,,0.0,,,0.0,
CCc1c(C(=O)NC2CCCC2)csc1C,CID1246172,,,,,0.0,,,0.0,,0.0,,,,,,,
O=C(C(Cc1ccccc1)n1cccc1)N1CCN(Cc2ccccc2)CC1,CID5308254,0.0,,0.0,,,0.0,,,,,0.0,,,,,,
O=C(c1ccc2nc(N3CCCCC3)sc2c1)N1CCN(c2ccccn2)CC1,CID5308255,0.0,,0.0,,,,,,,,,,0.0,,,0.0,
CCC(Cc1ccccc1)NC(=O)CN1C(=O)CSc2ncccc21,CID5308257,,0.0,,,,,,0.0,0.0,,,,,0.0,,,
CCN1C(=O)c2ccccc2S(=O)c2ccc(C(=O)NCc3ccccn3)cc21,CID5308250,,,,,,,,,,,,,0.0,0.0,,,
CCN1CCN(/C=N/c2nc(C)cs2)CC1,CID2308583,,,,0.0,,,,,,,,,0.0,,,,
O=C(N/C(=C/c1ccc2c(c1)OCO2)C(=O)N1CCOCC1)c1cccs1,CID1910647,,,,,,,,,,,,,,0.0,0.0,,
Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)COC4=O)CC2)cc1,CID648497,0.0,0.0,,,0.0,,,,,,0.0,,,,0.0,0.0,0.0
O=C(Cn1c(C(=O)NCCCN2CCOCC2)cc2sccc21)c1ccccc1,CID648495,,,,,0.0,,,,,,,,,,,,
CCOc1ccc(Nc2nc(Cc3nnc(SCC(=O)NCC4CCCO4)n3C)cs2)cc1,CID648493,,,,0.0,,0.0,,,,,,,,,,,0.0
COc1ccc(Cn2nnnc2C(c2ccc(F)cc2)N2CCN(C3CCCC3)CC2)cc1,CID648492,,,,,,,,,0.0,,,,,,,,
O=C(Cn1nnc2ccccc21)NC1CCCCC1,CID648490,,,,0.0,,0.0,,,,,,0.0,0.0,,,,
O=C(Nc1ncccc1Cl)C(Sc1ccccc1)c1ccccc1,CID3915320,,,,,,0.0,,,,,,,,,,,
O=C(NC(=S)Nc1ccc(C(=O)N2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1,CID1130092,,,,,,0.0,,,,,,,,,,,
O=S(=O)(NCCSc1ccccc1)c1cccs1,CID2894259,,,,,0.0,,,,0.0,,,,,0.0,,,
N#Cc1c(Cl)nc(Cl)c2c1CCN(Cc1ccccc1)C2,CID561900,,,,,,,,,,,,,,0.0,,,
O=C(c1ccco1)N1CCN(C(=O)c2oc(=O)c3ccccc3c2-c2ccccc2)CC1,CID5308875,0.0,,,,,0.0,,0.0,,,,0.0,,,,,
COC(=O)c1c(NC(=O)CC2SCC(C(=O)OC)NC2=O)sc2c1CCCC2,CID2891928,,,,,0.0,,,,,,,,,,,,
Brc1ccc(-c2nnc3sc(CNCc4ccc5c(c4)OCO5)cn23)cc1,CID4648656,,,,,,,0.0,,,,,,,,,0.0,
CC1(C)Oc2ccc(/C=C/C(=O)N3CCOCC3)c(O)c2C(N2CCOCC2)C1O,CID5759330,,,,,,,,,,,,,,0.0,,,
O=C(OCC(=O)c1ccc[nH]1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1,CID3493117,,,,,,,,,,,0.0,,,0.0,,,
Cc1noc(C)c1CSCC(=O)NC1=NCCS1,CID2576254,,0.0,,,0.0,,,,,0.0,,,,,,,
CCOc1ccc(C2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1OC(=O)C1CC1,CID662210,,,,,,,,0.0,0.0,,0.0,,,,,,
O=c1c2cnn(-c3ccccc3)c2ncn1CCc1ccccc1,CID1974591,,,,,,,,,,,,,,,0.0,,
Cc1ccn2c(NC3CCCC3)c(-c3ccncc3)nc2c1,CID4595578,,,,,,,,,,,,,,0.0,,,
O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc(N2CCOCC2)c(Cl)c1,CID1367645,,,,,,0.0,,,,,,0.0,,,,,
O=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1ccc(S(=O)(=O)N2CCOCC2)cc1,CID3243084,,,,,0.0,,0.0,,,,,,0.0,,,,
O=C(C1CCCN(S(=O)(=O)c2cccs2)C1)N1CCN(C2CCCCC2)CC1,CID3243083,,,,,,,,,,0.0,,,,,,,
Cc1ccc(C2=NCCNC2=O)c(C)c1,CID3243082,,,,,,,,,,,,0.0,,,,,
Cn1c(SCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)nnc1-c1ccncc1,CID4021643,,,,,,,,,,,,,,0.0,,,
COc1ccccc1-n1c(SCC(=O)N2CCCCC2)nc2cccnc21,CID651851,0.0,0.0,,,,0.0,,,,0.0,,,,,,,0.0
O=C(Cn1c(C2CC2)nc2ccccc2c1=O)Nc1ccc(Br)cc1,CID651856,0.0,,,,,,0.0,,0.0,,0.0,0.0,,,0.0,0.0,0.0
Cn1c(N2CCOCC2)nc(-c2ccccc2)c1-c1ccccc1,CID2998227,0.0,,,0.0,,0.0,0.0,,,,,,,,,,
O=C(CSc1nnc(-c2ccco2)o1)NC(=O)C1COc2ccccc2O1,CID2998228,,,0.0,,,,0.0,,,,,,0.0,,,,
c1cc2nnnn2nc1N1CCCCCC1,CID824431,,,,,,,,,0.0,,0.0,0.0,,,,,
O=C(CN1C(=O)S/C(=C\c2ccc(O)cc2)C1=O)c1ccccc1,CID2266667,,,,,,,,,,,,,,,0.0,,
OCc1cs/c(=N\c2ccccc2)n1-c1ccccc1,CID1537484,0.0,0.0,,,0.0,0.0,,0.0,,,,,0.0,,,,
CC1=NN(C(=S)Nc2ccccc2)C(C)(C)C1,CID769151,,,,,,,,,,,,,,,0.0,,
Cn1c(SCC(=O)Nc2cc(=O)n(C)c(=O)n2C)nnc1-c1cccs1,CID2296926,,,,0.0,,,,,0.0,,0.0,,,,,,
CC(=O)c1c(Nc2ccc3c(c2)OCCO3)oc(C)cc1=O,CID709918,,,0.0,,0.0,,0.0,,,0.0,,,,,,0.0,
O=C(CNC(=O)c1cccc(OC(F)F)c1)OCn1nnc2ccccc2c1=O,CID2488166,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1cn(CC2CC2)c2cc(F)c(F)cc2c1=O,CID783417,,,,,,,,,,,,,,0.0,,,
CSc1nc(C)cc(OCC(=O)N2CCOCC2)n1,CID3243664,,0.0,,,,,,,,,,,,,,,
O=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1,CID3243667,,,,,0.0,,,,,,0.0,,,,,,0.0
O=C1c2ccccc2C(Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)N1c1ccccn1,CID9550095,,,,,,0.0,,,,,,,,,,,
COc1ccc(CNc2ccc3c(c2)ncn3-c2ccccc2OC)cc1,CID3713839,,,,,,0.0,,,,,,,,,,,
COCCCNC(=O)c1ccc(Cn2c(=O)c3ccccc3n(Cc3ccccc3C#N)c2=O)cc1,CID9550090,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1sc2nc(NC(=O)c3cccs3)sc2c1C,CID4411590,,,,,0.0,,,,,,,,,,,,
O=C(CCCn1c(=S)[nH]c2ccc(Br)cc2c1=O)N1CCN(c2ccccn2)CC1,CID3236795,,,,,,,,,0.0,,,,,,,0.0,0.0
CCOc1ccccc1C(=O)Nc1ccc2nc(N3CCN(c4ncccn4)CC3)cc(C)c2c1,CID3236794,,,0.0,,,,,,,0.0,,,,,,,
CC1(C)OC(=O)C(=CNC(Cc2c[nH]c3ccccc23)C(=O)O)C(=O)O1,CID3236797,0.0,,,,0.0,,0.0,,,,0.0,,0.0,,,,
CC(C)N1C(=O)CCC1C(=O)N1CCC(Cc2ccccc2)CC1,CID3429051,0.0,,,0.0,,,0.0,0.0,,,,,,,,,
CCc1cc2c(s1)N(CC(=O)OC)C(=O)CN=C2c1ccccc1OC,CID3170616,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)N(CC)C2CCS(=O)(=O)C2)c1C,CID4675672,,,,,,,,,,0.0,,,,,,,
O=C(c1ccc2snnc2c1)N1CCCC1,CID707572,,,,0.0,,,,,,,,,0.0,,0.0,,0.0
O=C(OCC(=O)N1CCCC1)c1ccco1,CID2351711,,,0.0,,,,,0.0,,,,,0.0,0.0,,0.0,
Cc1nnc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)s1,CID787314,,,,,,,,,0.0,,,,,,,,
O=C1CC(c2ccccc2)N2NC(NC(=O)c3ccccn3)=NC2=N1,CID5389797,,,,,,,0.0,,,,,,,,,,
Cc1cc(=O)n2nc(N3CCC(C(=O)N4CCN(C)CC4)CC3)sc2n1,CID3241629,,,,,0.0,,,0.0,,,,,,,0.0,,
COc1ccc(-c2nc(CS(=O)CC(=O)NCCCN3CCCC3)c(C)o2)cc1OC,CID3241626,,,,,0.0,,,0.0,,,0.0,,0.0,,,,
CCn1c(=O)cc(SCC(=O)NCc2ccc3c(c2)OCO3)c2ccccc21,CID3241624,,,0.0,,,0.0,,,,,,,,,,,
Cc1nn(S(=O)(=O)N(C)C)c(C)c1CN1C(=O)c2ccccc2C1=O,CID1302075,,,,0.0,,,,,0.0,,,,,,,,
CCN(CCCNC(=O)C1CCC(=O)N1C(C)C)c1cccc(C)c1,CID4296542,,,,,,0.0,,,0.0,,,,,,,,
O=C(O)CC(NC(=O)C1CCCCC1)c1ccc(OC2CCCC2)cc1,CID4917148,,,,,,,,,,,,,,0.0,,,
COc1ccc(/C=N/OCC(=O)Nc2ccc3c(c2)OCO3)c(OC)c1,CID2116374,,,,,,,,,,,,,,,0.0,,
O=C(CCn1c(=O)oc2ccccc21)NCCCN1CCCC1=O,CID4914410,,,,,,,,0.0,,,,,,,,,
COc1ccc2nc(-n3c(C)ccc3C)sc2c1,CID893954,,,,0.0,0.0,,,,,,,,,,0.0,,
CC1=CC(=C2C(=O)c3ccccc3C2=O)C=C(C)N1Cc1ccco1,CID958894,0.0,,,,,,,,0.0,,,,,,0.0,0.0,
O=C(CC1S/C(=N\c2ccccc2)N(CCCCO)C1=O)NCc1ccccc1,CID2936239,,,0.0,,0.0,,,,,,0.0,,,,,,
O=C(OCCOc1ccc(Br)cc1)c1cnccn1,CID2111673,0.0,,,,,,0.0,,0.0,,,0.0,,,,,0.0
Cc1cccc(NC(=S)N(Cc2ccc(Cl)cc2)Cc2ccc(C(=O)O)cc2)c1,CID4053736,,,,,,,,,,,,,,0.0,0.0,,
CC(C(=O)Nc1ccccc1-c1ccccc1)N1CCN(Cc2ccccc2)CC1,CID16196694,,,,,,,,,,,,,,,0.0,,
CC1=CC(OC2CCCCC2)=N/C(=C2/C=CC=CC2=O)N1,CID5337909,,,0.0,,,,,0.0,,,,,,,,,
CSc1nc(=O)n(-c2ccc3ccccc3c2)c(C)c1C(C)=O,CID2828200,,,,,,0.0,,,,,,,,,,,
Cc1cc(Nc2ccccc2)n(CCOC(=O)COc2ccccc2)n1,CID2363277,0.0,0.0,,,,,0.0,,,,,0.0,,,,,0.0
CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc21,CID2459085,,,,,,,,,,,,,,0.0,0.0,,
CC(C)Cc1ccc(C(C)C(=O)OCC(=O)c2c[nH]c3ccccc23)cc1,CID2829153,,,,,,,,,,,,,,,0.0,,
O=C(CN1CCc2ccccc2C1)N1CCN(S(=O)(=O)c2ccccc2)CC1,CID2534881,,0.0,0.0,,,,,,,,,,,,,,
Cc1ccc(CN2CCN(C(=O)C3CCC3)CC2)cc1,CID1245119,,,,0.0,,,0.0,,,,,0.0,,,,,
CC1CCN(C(=O)CSc2nnc(CN3CCOCC3)n2-c2ccccc2)CC1,CID2960451,0.0,,0.0,,,,0.0,,,,,,,,,0.0,0.0
COc1ccc(S(=O)(=O)NCC2CCCN(C(=O)CN3CCCCC3)C2)cc1,CID16189610,,,,,,,,,,,,,,0.0,,,
CCCCS/C(=C(/C#N)C(N)=O)c1cc2c([nH]1)CCCC2,CID3005238,,,,0.0,,,,,,,,,,,,,
CCn1c(SCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1cccs1,CID2586417,,,0.0,,0.0,,,,0.0,0.0,0.0,,,,,0.0,0.0
COc1ccccc1-c1c(C)nn2c(N3CCCCCC3)cc(C)nc12,CID4183437,,,,0.0,,,,0.0,,,,,,,,,
CN1CCNC(=O)C1CC(=O)NCCC1=CCCCC1,CID16191563,,,,,,,,,,,,,,0.0,,,
CC(C)c1ccc(NC(=O)c2cc(S(=O)(=O)NCC3COc4ccccc4O3)ccc2F)cc1,CID4605161,,,,,,,,,,,,,,0.0,,,
COc1ccc(NC(=O)c2cccc(Cn3cc(Br)cn3)c2)cn1,CID1235939,0.0,,,,,,,,0.0,,0.0,0.0,,,,0.0,0.0
C(=N/n1cnnc1)\c1cn(-c2cccs2)nc1-c1ccccc1,CID2368122,,,,,0.0,0.0,,,,,,,,,,0.0,
Cc1cccc2cc(CN(C(=S)NCC(C)C)C3CCCC3)c(=O)[nH]c12,CID1157156,,,,,,,,,,,,,,,0.0,,
CC(=O)Nc1ccc(-c2csc(NC=C3C(=O)OC(C)(C)OC3=O)n2)cc1,CID991027,,,,,,,,,,,,,,,0.0,,
CSc1nc(-c2ccco2)nn1C(=O)Cc1ccccc1,CID977151,0.0,0.0,0.0,,0.0,,0.0,0.0,,,,,,0.0,0.0,0.0,0.0
CSc1ccccc1C(=O)C1CCCN(Cc2ccccn2)C1,CID16191090,,,,,,,,,,,,,,0.0,,,
Cc1ccc2c(CC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)coc2c1,CID2081485,0.0,,0.0,,0.0,,,,0.0,,,0.0,,,,,0.0
Cc1cc(C(=O)NC(C)c2ccc3c(c2)OCO3)cs1,CID2970296,,,0.0,,0.0,,,,,,,,,,,,
COc1cc(/C=C2/SC(=S)N(CCC(=O)Nc3nnc(C)s3)C2=O)cc(OC)c1OC,CID1584551,,,,,,0.0,,,,,,,,,,,
Cc1ccc(SC(C)C(=O)Nc2ncn[nH]2)cc1,CID2977752,,0.0,,0.0,,,,0.0,,,,0.0,0.0,,0.0,0.0,
Cc1csc(SCC(=O)Nc2sccc2C#N)n1,CID2087887,,,,,,,,,,,,,,0.0,,,
c1ccc(CN(Cc2cccs2)C(c2cccs2)c2nnnn2C2CCCC2)cc1,CID3193737,,,,,,,,,,,0.0,,,,,,
COc1ccc(OCc2cccc(C(=O)Nn3cc([N+](=O)[O-])cn3)c2)cc1,CID4766173,,,,,,,,,0.0,,,,,,,,
O=S(=O)(Nc1cccc2c1ccc1cccn12)c1cccs1,CID1474735,,,,,,,,,,0.0,0.0,,,0.0,0.0,,
COC(=O)c1ccc(CSc2ncnc3ccccc23)o1,CID2607957,,,,,,0.0,0.0,0.0,0.0,,,0.0,,,,,0.0
COCCN(C(=O)/C=C/c1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,CID2540865,,,,,,,,,,,,,,0.0,,,
Cc1nn(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1Sc1ccccc1,CID1177216,,,,,,,,,,,,0.0,,,,,
COc1ccc(Cl)cc1NC(=O)CCNC(=O)OCc1ccccc1,CID2173195,,,,,,,,,,,,,,0.0,,,
Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NCc1ccco1,CID2082104,,0.0,0.0,,,,0.0,,,,0.0,,0.0,,0.0,0.0,0.0
Cn1cc(CN2CC3(C)CC2CC(C)(C)C3)c(-c2ccc3c(c2)OCCO3)n1,CID16190360,,,,,,,,,,,,,,0.0,,,
c1ccc2[nH]c(NCCCN3CCOCC3)nc2c1,CID666288,,0.0,0.0,,,,,0.0,,,,0.0,,0.0,,0.0,
O=S(=O)(NCc1ccco1)c1cccc2cccnc12,CID711353,,0.0,,0.0,,,0.0,,,0.0,,,,,,,
O=C(NCCCN1CCOCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1,CID2131570,,,,,0.0,,,,,,,,,,,,
O=C(CCS(=O)(=O)c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2cccs2)CC1,CID2094713,,,,,0.0,,,,0.0,,,,,,,,
CCOC(=O)c1cnc2cc3c(cn2c1=O)CCCC3,CID3240818,,0.0,,,,0.0,,,,0.0,,,,,,0.0,
Cc1ccccc1NS(=O)(=O)c1ccc(C2CNC(=O)C2)cc1,CID2971985,0.0,,,,,,,,,,,,0.0,,0.0,0.0,
O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,CID3168,,,0.0,,,,,,0.0,,,,,,,,
CC(NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccccc1,CID4299261,,,,,,,,,,,,,,0.0,,,
O=C1OC(c2ccccc2)C2(CCCC2)C(=O)C12CCCC2,CID2941512,,,,,,,,,,,0.0,,,,,,
CCC(C)N1C(=O)NC(=O)C2(Cc3c(ccc4ccccc34)N(C)C2)C1=O,CID666463,,,0.0,,0.0,,0.0,,,,0.0,,,,,,
CN1C(=O)N(c2ccccc2)C(Nc2nncs2)C1(C)C,CID666464,,,0.0,0.0,0.0,,0.0,,,,,,,,,,
Cc1cccc2cc(C(c3nnnn3Cc3ccccc3)N3CCCc4ccccc43)c(=O)[nH]c12,CID3175250,,,,,,,,,,,,0.0,,,,,
COC(=O)c1cc(NC(=O)c2cccs2)ccc1N1CCOCC1,CID2809855,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)cc1OC,CID1242876,0.0,0.0,,,,,,,,0.0,,,0.0,0.0,,,
COc1ccc(/C=C2/C(=O)OCc3cc(OC)c(OC)cc32)cc1,CID793640,,,,,,,,,,,,,,,0.0,,
Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2-c2ccccc2)c2ccc(C)cc2C)cc1,CID1312791,,,,,,,,,,,,,,,0.0,,
c1ccc(-c2oc3ncnc(N4CCOCC4)c3c2-c2ccccc2)cc1,CID1291790,,0.0,,0.0,,,0.0,,,0.0,0.0,,,0.0,,,
COc1cccc(-c2nnc(SCC(=O)N3CCCC3=O)n2-c2ccccc2)c1,CID2546429,0.0,,0.0,,0.0,,,,,,,,0.0,0.0,,,0.0
O=C(COc1ncnc2ccccc12)c1ccc2c(c1)OCCO2,CID2383337,,,0.0,,,0.0,,,,,,,,0.0,,,
O=C(c1cccc(Cl)c1)C1CCCN(Cc2cccc3cnccc23)C1,CID16187607,,,,,,,,,,,,,,,0.0,,
COc1ccc(CCNC(=O)C(=O)Nc2ccc3c(c2)OCO3)cc1OC,CID2291128,,,,,,,,,,,,,,,0.0,,
Cc1ccc(-n2ncc(-c3nnc(SCC(=O)NC4CCCC4)o3)c2N)cc1C,CID648926,,,,,0.0,,,,,,0.0,,,,,,
O=C(NC1CCCCC1)N(CCN1CCCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3,CID648925,0.0,,,,,,,,,,,,0.0,,,,
Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)C3CCS(=O)(=O)C3)CC2)cc1,CID648922,,,,,0.0,,,,,,,,,,,,
FC(F)(F)c1ccc2c(c1)nc1n2CCCC1,CID715155,,,,0.0,,,,,,,,,,,,,
CCOc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)cc1[N+](=O)[O-],CID1365238,,,,,,,,,,,,0.0,,,,,
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc2c(c1)OCCO2,CID999019,,,,,0.0,,,,,,,,,,,,
CCC1(C)Cc2c(sc3nc4n(c(=O)c23)CCCS4)CO1,CID2862968,,,0.0,,,,,,,0.0,,,,,,,
Cc1cc(=O)[nH]c(SCC(=O)NCC2CCCCC2)c1C#N,CID2451294,,,,,,,,,,,,,,0.0,,,
CC1(C)Cc2c(sc3nc(-c4cccs4)n(N)c(=O)c23)CO1,CID663368,,,0.0,,0.0,0.0,0.0,,0.0,0.0,,,,,,,
O=C1c2ccccc2C(=O)N1Cc1nc2ccccc2c(=O)n1CCN1CCOCC1,CID666125,,,,,,,0.0,,,,0.0,,,,,0.0,
Cc1cc2nccc(-c3ccncc3)n2n1,CID1472842,,,,,,,,,,,,,,,0.0,,
CC(C)C1Oc2ccccc2N(CC(=O)N(Cc2ccccn2)CC2CCCO2)C1=O,CID654248,,,,,0.0,,,,0.0,,,,,,,,
c1n[nH]c(NCc2ccc3c(c2)OCO3)n1,CID585536,0.0,,,,,0.0,,0.0,0.0,0.0,,,,0.0,0.0,,
COc1cccc(C(=O)NC(=S)NCc2ccco2)c1,CID693371,,,,,,,,,,,,,,,0.0,,
Cc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C)n1-c1ccccc1,CID2860184,,,,,,0.0,,,,,,,,,,,
CC1CCc2nn(CC(=O)NCCN3CCOCC3)cc2C1,CID5309454,,,0.0,0.0,,,,0.0,,,,,,,,,
Cn1c(C(=O)N2CCCC(C(=O)NCc3ccc4c(c3)OCO4)C2)cc2sccc21,CID5309450,,,0.0,,,0.0,,0.0,,,0.0,,,,,,
O=C(NCCCN1CCC(Cc2ccccc2)CC1)C1CCC(=O)N1C1CCCC1,CID5309453,0.0,,,0.0,,,,0.0,,,,,,,,,0.0
O=C(N/N=C/c1ccco1)C1CC(=O)N(c2ccccc2)C1,CID534056,,,,,,,,,,,,,,,0.0,,
Cn1c(Cc2cccs2)nnc1SCc1nc2ccccc2[nH]1,CID1248883,0.0,0.0,0.0,,0.0,,,,0.0,0.0,,,0.0,,,,
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)C23C(=O)N(C)c2ccccc23)o1,CID663947,,0.0,,,,,,0.0,,,,,0.0,,,,
C/C(=N\NC(=O)C1CC1)c1ccc(NC(=O)c2ccc(Br)o2)cc1,CID1007796,,,,,,,,,,,,,,,0.0,,
Cn1/c(=N/NC(=O)c2ccccc2Br)sc2ccccc21,CID2332493,,,,,,,,,,,,,,0.0,,,
O=C1CC2(CON=C2c2ccc(F)cc2)C(=O)N1c1ccc(F)cc1,CID664631,,,,,,,,,,,,,0.0,,,,0.0
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/N2C(=O)CSC2=S)cc1,CID2020650,,,,,,,,,,0.0,,,,0.0,,,
CN1CCN(C(=O)c2ccc(COc3ccc(Cl)cc3Cl)cc2)CC1,CID1315470,0.0,,,,,,,,,0.0,,,0.0,,,,
O=C(NCC(=O)N(Cc1ccco1)C(C(=O)NC1CCCC1)c1cccnc1)c1ccco1,CID3211641,,,,,,,,,,,,0.0,,,,,
Cc1ccc(C(=O)NCC2(c3ccccc3)CCCC2)cc1,CID1288280,,,,,,0.0,,,,,,,,,,,
CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2cccs2)cc1,CID1179914,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(C)=O)cc1COC(=O)c1ccc(OCc2c(C)noc2C)cc1,CID2089640,,,,0.0,,,,,,0.0,,,0.0,,,,
CCCn1c(=O)n(C)c(=O)c2c(SCc3cc(C(C)=O)ccc3OCC)nc(C3CC3)nc21,CID2549628,,,,,,,,,,,,,0.0,,,,0.0
Clc1ccc(-n2cc(COCc3ccccc3)nn2)cc1,CID1475809,,,,,,,,,,,,,,0.0,,,
CCn1c(SCC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)nc2ccccc21,CID1543264,,,,,,,,,,,,,,,0.0,,
O=C(N/N=C/CCc1ccccc1)c1ccccc1,CID3109171,,,,,,0.0,,,,,,,,,,,
COCCNC(=O)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1,CID3244776,,,,0.0,,,,,,,0.0,,,,,,0.0
CC1(N2CCCCC2)CC2(O)C(=[N+]1[O-])CCC/C2=N\O,CID653165,,,,,0.0,,,,,,,,,,0.0,,
COCCn1c(SCCN2CCCCC2)nc2ccccc2c1=O,CID648109,0.0,,,0.0,0.0,,0.0,,,0.0,,,,,,0.0,
O=C(c1cccnc1NCc1ccccc1)N1CCOCC1,CID648105,,0.0,0.0,,,,,,,,,0.0,,,,,0.0
COc1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1-n1cnnn1,CID648104,,0.0,,,0.0,,,0.0,,0.0,,,,,,,
O=C(CSc1nnc(CNc2ccc(F)cc2)n1Cc1ccco1)N1CCCC1,CID648107,0.0,,,,0.0,0.0,,0.0,,,,,0.0,,,,
CCOC(=O)c1cnc(SCC(=O)Nc2nc(C)c(C)s2)nc1N,CID648106,,,,,,,,,0.0,,,,,,,0.0,
COc1ccc(C(=O)Nc2cc(C)nc3ccccc23)cc1OC,CID828180,,,,,,,,,,,0.0,0.0,,,,,
CCN(C(=O)COC(=O)/C=C/c1cnc2ccccc2n1)c1ccccc1,CID2418287,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(CNC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)N2CCCC2)cc1,CID2998798,0.0,,,,,,,0.0,,,,0.0,,,0.0,,0.0
CN1CCN(S(=O)(=O)c2ccc(N(C)Cc3cccs3)nc2)CC1,CID2998791,0.0,,,,0.0,,,,,0.0,,,,,,,
Cc1ccc(-c2[nH]c(=O)n3ccncc23)s1,CID2998790,,0.0,,0.0,,,,,,0.0,,,0.0,,,,0.0
O=C(Nc1ccc2c(c1)OCO2)C1Cc2ccccc2CN1S(=O)(=O)c1cccs1,CID2998793,,,0.0,,0.0,,0.0,,,,0.0,,0.0,,,,
c1cc2c(cc1C1CCCN1)OCCCO2,CID2998792,,,,0.0,,,,,,0.0,0.0,0.0,,,,,
CC(C)CC(C(=O)Nc1oc(-c2ccco2)c(-c2ccco2)c1C#N)N1C(=O)c2ccccc2C1=O,CID2998795,,,,,,,,0.0,0.0,,0.0,0.0,,,,,
Cc1ccsc1C(=O)OCC(=O)c1cc(C)n(CC2CCCO2)c1C,CID2998797,,,,,,,,0.0,,0.0,,,,,,,
CCOC(=O)C1=C(CC)Nc2ccccc2N=C1NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1,CID2998796,,,0.0,,0.0,,,,,,0.0,,,,,,
O=C(Cc1cn2ccsc2n1)OCc1ccccc1,CID2999445,,,0.0,0.0,0.0,,0.0,,,,0.0,,,,,,0.0
O=C(COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)NCCN1C(=O)CSC1=O,CID2999440,,,,,0.0,,,,,,,,,,,0.0,
O=C(CC(SCCO)c1ccc2c(c1)OCO2)c1ccco1,CID2999441,,,,,,,,,,,,,0.0,,0.0,,
O=C(NCCc1ccccc1)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1,CID1205600,,,,,,,,,,0.0,,,,0.0,,,
O=C(CCn1nnc2ccccc2c1=O)NCC1CCC(C(=O)O)CC1,CID666899,,,,,,0.0,,,,,,,,0.0,,,
CCOC(=O)N1CCN(C(=O)CSc2ccc3nnc(CCNC(=O)c4ccccc4)n3n2)CC1,CID16194711,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C1C(=O)NC(N2CCCCC2)=NC1c1ccccc1,CID666896,,0.0,,0.0,,,0.0,0.0,,,,,,,,,
Nc1c(N2CCOCC2)cc(Cl)c2nonc12,CID666894,0.0,,,0.0,,,,,,0.0,,,,,,,
COC(=O)c1ccc2c(=O)n(CCN3CCOCC3)c(SCC(=O)c3ccccc3)nc2c1,CID3239758,,,0.0,,0.0,,,,0.0,0.0,,,,,,,0.0
O=C(NCc1ccco1)c1ccc2c(c1)C(=O)c1ccccc1-2,CID973100,,,,,0.0,,0.0,0.0,,,,,0.0,,,,
CCOC(=O)Cc1csc(NC(=O)c2cnc3scc(C)n3c2=O)n1,CID3239750,,0.0,,,0.0,,,,,,,,,,,0.0,
CC(C)c1c(C#N)c(N)nc(SCC(=O)c2cc3ccccc3oc2=O)c1C#N,CID3239751,,0.0,,0.0,,,,0.0,,,0.0,,,,,0.0,
c1nc(NCC2CCCO2)c2[nH]cnc2n1,CID3239756,,,,,,,,,,,,0.0,0.0,,,,
Cc1nnc2n(C3CCCCC3)c(=O)c3c4c(sc3n12)COC(C)(C)C4,CID662117,0.0,,,0.0,,0.0,,,,,0.0,0.0,,,0.0,,
O=C(NCc1cccs1)c1noc2c1CCCCC2,CID3241355,,0.0,,0.0,0.0,,,,,0.0,,,,,,,0.0
CCn1cc(C(=O)N2CCN(c3ccccn3)CC2)c2cc(OC)c(OC)cc2c1=O,CID3241140,,,,,,,,,0.0,,,,,,,,
C=CCOC(=O)C1CC=CCC1C(=O)Oc1ccc(F)cc1F,CID2844839,,,,,,,,,,0.0,,,,,,,
Cc1nnc(SCC(=O)Nc2ccc(Cl)cn2)s1,CID974450,,,,,,,,,,,,,,,0.0,,
O=C1c2ccccc2C(=O)N1CCN1CCc2ccccc21,CID660765,,0.0,,,0.0,0.0,,,,,0.0,,,0.0,,,
OC(Cn1nnc2ccccc21)Cn1c(C(F)(F)F)nc2ccccc21,CID3237936,0.0,0.0,,,0.0,,,,0.0,,,,,,,,
CCOC(=O)N1CCN(C(=O)Cn2cc3c(n2)CCCC3)CC1,CID3237937,,,,,,,,0.0,0.0,,0.0,,0.0,,,,
Cc1csc2ncc(C(=O)NCc3ccc4c(c3)OCO4)c(=O)n12,CID4581082,0.0,0.0,,0.0,,,,,,,,,0.0,,,,
O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)NCc1ccccn1,CID3237931,,0.0,0.0,,,,,,,0.0,,,0.0,,,,
O=C(c1cnn2ccccc12)N1CCc2ccccc21,CID5308192,,,0.0,,,,,0.0,,0.0,,,,,,0.0,
Cc1cc(-c2ccco2)n(CC(=O)NCCCc2ccccc2)n1,CID5308195,0.0,0.0,,,,,,0.0,,,,,,,,,
Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)CN3CCCC(C)C3)cc2c1,CID3169400,,,,,,,,,,,,,,0.0,,,
Cc1nc2nc(-c3ccco3)[nH]n2c(=O)c1Cc1ccccc1,CID1942295,0.0,,0.0,,,,,0.0,,,0.0,0.0,,,,,
CCOc1ncccc1C(=O)NCC1(N2CCOCC2)CCCCC1,CID2532761,,,,,,,,,,,,0.0,,,,,0.0
CC1=C(C(=O)OCC2CCCO2)C(c2ccsc2)C2=C(CC(C)(C)CC2=O)N1,CID2872705,,,,,,,,,,,,,,,0.0,,
CC1CCN(C(=O)CN2C(=O)C(=O)c3ccccc32)CC1,CID1631471,,,0.0,,,,,,,,,,0.0,,,,
N/C(Cc1cccc2ccccc12)=N\OC(=O)c1ccc2c(c1)OCO2,CID9587489,,,,,,,,,,,,,,0.0,,,
Cc1ccc(SCc2nnc(NC(=O)c3ccccc3)s2)cc1,CID902549,,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccc(SC(F)F)cc1)c1cccc2nc3ccccc3nc12,CID4351961,,,,,,,,,,0.0,,,,,,,
O=c1cc(COn2nnc3ccc(C(F)(F)F)cc32)nc2sccn12,CID2095990,0.0,0.0,,,0.0,,,,,,,,,,,,
O=c1cc(-c2ccccc2)nc2nc(-c3ccco3)[nH]n12,CID1266395,,,,0.0,,,,0.0,,,,,,,0.0,,
COC(=O)c1ccc(/C=C/C(=O)c2cccs2)cc1,CID5349634,,,,,,0.0,,,,,,,,,,,
C=CCOc1ccc(/C=C(\C(=O)c2ccc(C)cc2)c2nc3ccccc3o2)cc1,CID5349636,,,,,,0.0,,,,,,,,,,,
Nc1nonc1-c1noc(CCCN2C(=O)c3ccccc3C2=O)n1,CID599987,,,,,,,,,,,,,0.0,,,,
Cc1csc2c(C#N)c(=O)c3c(n12)CCC3,CID2310766,,,,0.0,,,,,,,,,0.0,,,,
Cc1cc(C)n(-c2ccc(C(=O)Nc3cccnc3Cl)cc2)n1,CID2310767,,,,,,,,,,,,,,,0.0,,
CCOc1ccc(CCNC(=O)C2CCC(=O)N2C2CCCCC2)cc1OCC,CID3244632,0.0,,,,0.0,,,,,,,,,,,,0.0
O=C(O)c1ccc(-n2nc(C(F)(F)F)c3c2-c2ccoc2CC3)cc1,CID1236972,,,,0.0,,,,,,,,,,,,,0.0
O=C(CSc1nnc(-c2cccnc2)n1CCN1CCCCC1)Nc1cccc(Cl)c1,CID1034592,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1sc2nc(SC)nc(-c3ccc(Cl)cc3)c2c1N,CID1034598,,,,,,,,,,,,,,0.0,,,
CCCCC1(C(=O)OCC)CC(CN2CCOCC2)OC1=O,CID661019,,,,0.0,,,,0.0,,,,,,0.0,0.0,,0.0
N#Cc1cc2c(nc1SCC1COc3ccccc3O1)CCC2,CID2870269,0.0,0.0,,,,,,,,,,0.0,,,,,0.0
O=C(OCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)c1cc(Cl)ccc1[N+](=O)[O-],CID5021543,,,,,,,,,,,,,,0.0,,,
Cc1noc(C)c1COC(=O)c1ccccc1Oc1ccccc1,CID2433078,0.0,,0.0,0.0,,,0.0,,0.0,,,,0.0,0.0,0.0,,
CCOC(=O)C1CCN(C(=O)CSCCSCC(=O)N2CCC(C(=O)OCC)CC2)CC1,CID2999850,,,0.0,,0.0,,,,,,,,,,,,
c1ccc(-n2c(Cc3cn4ccsc4n3)nnc2N2CCOCC2)cc1,CID2999855,0.0,0.0,,0.0,0.0,,,0.0,,,0.0,,0.0,,,0.0,
O=C(Cn1c(=O)c2c(ncn2Cc2ccccc2)n(Cc2ccccc2)c1=O)N1CCCC1,CID2999854,0.0,,,,,,0.0,,,,,,,,,,
Cc1nc2ccc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2s1,CID2999857,,0.0,,,0.0,,,,,,,,0.0,,,,
CC1(C)C2CCC1(CS(=O)(=O)NCc1ccc(C(=O)O)cc1)C(=O)C2,CID2999858,,,,0.0,,,0.0,,,0.0,,,0.0,,0.0,0.0,
CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)C1c1ccco1,CID662548,0.0,,0.0,0.0,,,0.0,,0.0,,,,,,,,0.0
Cc1cc2cc(CNC(=O)Nc3ccccc3)ccc2n1C,CID3236611,,,,0.0,,,,0.0,,,,0.0,,,,0.0,
CN1C(=O)c2ccccc2Sc2ccc(NC(=O)N3CCCC3)cc21,CID3236612,0.0,,,0.0,0.0,0.0,0.0,0.0,,,0.0,0.0,,,,0.0,0.0
CCOC(=O)N1CCC(NC(=O)c2cccc3c2C(=O)N(Cc2cccnc2)C3)CC1,CID3236613,0.0,,,0.0,,,,0.0,,,,,,,,,
O=C1/C(=C/c2ccccn2)N2CCC1CC2,CID768334,,,,,,0.0,,,,,,,,,,,
O=S(=O)(CCc1ccccc1)N1CCOCC1,CID869048,0.0,,,,,,,,0.0,,,,,,,,
O=c1c2ccccc2nc2n1C(CBr)CS2,CID2765794,,,,,,,,,,,,,,0.0,,,
COc1ccc(C(=O)CSc2nnc(C3CCCCC3)n2N)c(OC)c1,CID2111731,0.0,,,0.0,0.0,,0.0,,,,,,0.0,0.0,,0.0,0.0
C#CCSc1ncc(S(=O)(=O)c2ccccc2)c(=O)[nH]1,CID2765798,,,,,,,,,,,,,,0.0,0.0,,
O=C(c1cc(Cl)c(=O)n(Cc2ccccc2)c1)N1CCOCC1,CID1486001,,,,,,,,,,,,,,0.0,0.0,,
O=C(Nc1nnc(CCc2ccccc2)s1)c1ccco1,CID811280,0.0,0.0,0.0,0.0,0.0,,0.0,0.0,,,,,0.0,0.0,,0.0,0.0
CCn1ncc2c(OCc3ccc(C#N)cc3)cc(C)nc21,CID2997504,,0.0,0.0,0.0,,0.0,,,,,,,0.0,,,,
O=C(Cn1nc(-c2ccccc2)ccc1=O)N1CCOCC1,CID5053337,,,,,,,,0.0,,,0.0,,,,,,
O=C1CCCN1c1ccc(S(=O)(=O)N2CCC(c3ccccc3)CC2)cc1,CID1520371,,,0.0,,,,,,,0.0,,,,,,,
O=S(=O)(c1cccc(-c2nc3n(n2)Cc2ccccc2-3)c1)N1CCCC1,CID2321096,0.0,,,,,,0.0,0.0,,,0.0,,,,,,0.0
CCCCN(CC)c1nc(N)c2c(N)nc(OCC)cc2c1C#N,CID5216640,,,,,,,,,,,,,,,0.0,,
O=C(Cn1cnc2ccccc2c1=O)NCCC(=O)Nc1ccc2c(c1)OCCO2,CID3244429,,,,,,,0.0,,,,,,,,,,
CC(C)Oc1ccc(C(=O)OC(C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1,CID3595866,,,,,,,,,,,,,,,0.0,,
COc1ccc2c(c1)OC/C(=C/c1cccs1)C2=O,CID2295386,,,,,,,,,,,,,,0.0,,,
CC1(C)CC(C#N)(N2CCOCC2)CCO1,CID2833075,,0.0,,0.0,,,0.0,,,0.0,,,,,,,
COc1ccc(CCNC(=O)CC(c2ccccc2)c2cccc(C)c2O)cc1OC,CID4110386,,,,,,,,,,,,,,0.0,,,
Cc1cc(C)c(NC(=S)NCCCSC2CCCCC2)c(C)c1,CID4522346,,,,,,,,,,,,,,0.0,,,
COc1ccc(CNc2c(C(=O)O)cnc3c2cnn3C)cc1,CID1481689,,,,,,,,,,,,,,,0.0,,
Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)c2ccc(C)c(C)c2)cc1,CID1739578,,,,,,,,,,,,,,0.0,,,
O=c1nc(-c2ccc(Cl)cc2)nc2n(-c3ccccc3)[nH]cc1-2,CID950922,,,0.0,,,,0.0,,,,,,,,,,0.0
O=C(Cc1ccccc1)Oc1cccc(N2C(=O)CCC2=O)c1,CID804136,,,,,,,0.0,,,,,0.0,,,,,
O=C1c2ccccc2/C(=N\c2ccccc2)C1c1cccc(Br)c1,CID2848521,,,,,,,,,,,,0.0,,,,,
Cn1c(=O)n(C)c2cc(CNc3ccc(N4CCOCC4)c(C(=O)O)c3)ccc21,CID666409,0.0,,0.0,,,,,,,,,0.0,,,,,
O=C1Nc2ccc(Br)cc2C1(O)Cc1ccccn1,CID57491,,,,,,,,,0.0,,,0.0,,,,0.0,
O=C(CCCSc1nc2ccccc2[nH]1)Nc1nnc(-c2ccccc2)o1,CID2594362,,,0.0,,,0.0,0.0,,,,0.0,,0.0,,,0.0,
Cc1ccc(S(=O)(=O)NC(C)(C)CSc2nnc(Nc3ccccc3)s2)cc1,CID2345311,,,,,,,,,0.0,,,0.0,,,,,
Cc1csc(NC(=O)CSc2nnc(-c3ccccn3)n2-c2ccc(C)c(C)c2)n1,CID646287,,0.0,0.0,0.0,,,,,,,,0.0,,,,,0.0
CC(=O)c1cccc(NC(=O)CCNS(=O)(=O)c2cccc(C(C)=O)c2)c1,CID2550715,,,,0.0,,,,0.0,0.0,0.0,,,,,,0.0,
O=c1[nH]c2ccccc2nc1NCCN1CCOCC1,CID665072,,0.0,,,,,0.0,0.0,,,,0.0,,,0.0,0.0,
COc1ccc(C(=O)/C=C\N2CCOCC2)cc1,CID2230978,,,,,,,0.0,0.0,,0.0,,,0.0,,,0.0,
c1ccc2c(Nc3nc4c(s3)CCCC4)cccc2c1,CID787714,,,,,,,,,,,,0.0,,,,,
O=C(CN1C(=O)CCC1=O)Nc1ccc2c3c(cccc13)CC2,CID2381457,,,0.0,0.0,,0.0,0.0,,,,,0.0,,,,,
O=C(c1ccc(-n2cnnn2)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1,CID2355819,,,0.0,0.0,,,0.0,,,0.0,,,,,,,
O=C(CSc1nnc(-c2ccccc2)n1Cc1ccccc1)N1CCCC1,CID656223,0.0,,,0.0,0.0,,0.0,,,,,,,,,0.0,
O=C(Nc1ccccc1F)C1CC1c1ccccc1,CID2932767,,,,,,,,,,,,,,0.0,,,
Cc1nc(S/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)O)n[nH]1,CID1399593,,,,,,,,,,,,0.0,,,,,
Cc1cccc(N2CCN(C(=O)c3ccccc3NC(=O)C3CCCCC3C(=O)O)CC2)c1,CID11842129,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)Nc2ccccc2C(=O)NC(Cc2ccc(O)cc2)C(=O)NNC(=O)c2ccncc2)cc1,CID3124008,,,,,,,,,,,,,,0.0,,,
O=C(Nc1ccccc1-c1ccccc1)NC1CCN(C(=O)N2CCOCC2)CC1,CID652546,0.0,,0.0,,,,,0.0,,0.0,0.0,,,,,,0.0
O=C(CN(CC1CCCO1)C(=O)CCC(=O)Nc1nccs1)NCc1ccc2c(c1)OCO2,CID652542,,,,,0.0,,,,0.0,,0.0,,,,,,0.0
O=C(CN1CCC(n2nnc3cc(F)ccc32)CC1)Nc1ccc2c(c1)CCC2,CID652543,,,0.0,,,,,,,,,,,,,,
COCCn1c(C)cc(C(=O)COC(=O)CCN2C(=O)c3ccccc3C2=O)c1C,CID2552713,,,,,,,,,,,,,,,0.0,,
O=C(CSc1nc(C2CC2)nc2ccccc12)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21,CID3192193,,,,,,,,,,,,0.0,,,,,
CN(C)CC/C=C1/c2ccccc2Sc2c(O)cc(Cl)cc21,CID1224278,,,,,,,,,,0.0,,,,,,,
Cc1ccc(S(=O)(=O)NC2=C(N3CCN(Cc4ccccc4)CC3)C(=O)c3ccccc3C2=O)cc1,CID5212085,,,,,,,,,,,,0.0,,,,,
CC(C)CNC(=O)CSc1nnc(-c2ccccn2)n1Cc1ccccc1,CID647929,0.0,0.0,,,0.0,,0.0,0.0,,,0.0,,,,,,
COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1OCCOc1ccccc1,CID1617326,,,,,,0.0,,,,,,,,,,,
COc1nc(OC)nc(N2CCC(C(=O)NCc3ccco3)CC2)n1,CID647926,,,,0.0,,,,,,0.0,0.0,,,,,,
O=C(Cn1c(=O)sc2ccccc21)Nc1ccc(S(=O)(=O)N2CCCC2)cc1,CID655019,,,,0.0,0.0,,,,0.0,0.0,,,,,,0.0,
NC(=O)c1nsc(C(=O)N(CC(=O)NCc2ccc3c(c2)OCO3)C2CCCCC2)c1N,CID655018,,,,,0.0,,0.0,,,0.0,,,,,,0.0,
O=C(Nc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1)c1cnccn1,CID655011,,0.0,,,,,,0.0,,,,,,,,0.0,
CC12CCC(C(=O)N3CCN(Cc4ccccc4)CC3)(OC1=O)C2(C)C,CID2941499,,,0.0,,,,,0.0,,,,0.0,,,,,0.0
O=C(c1ccco1)N1CCN(c2ncnc3c2oc2ccccc23)CC1,CID2951844,,0.0,,0.0,,,,,,0.0,0.0,,,,,,
CCC(C)(C(=O)NC1CCCC1)N(C(=O)CC1NC(=O)NC1=O)c1ccc(C)cc1,CID5200725,,,,,,,,,,,,,,,0.0,,
O=C(Cn1c(-c2ccc(Cl)cc2)noc1=O)N1CCN(c2ccccc2F)CC1,CID656224,0.0,,0.0,,,,0.0,,,,,,0.0,,,,
Cc1cc(C)c(C(=O)CSc2n[nH]c(=O)n2C2CC2)cc1C,CID2128809,0.0,,,0.0,0.0,,,0.0,,,,,,0.0,,0.0,
O=S1(=O)C=C(Oc2ccc(F)cc2)c2ccccc21,CID2187358,,,0.0,0.0,,,0.0,,,,,0.0,,0.0,,,
CN1C(=O)C(=CNC2CC(C)(C)NC(C)(C)C2)C(=O)N(C)C1=O,CID5310839,,,,,,,,,,,,,0.0,,,,
O=C1COc2ccc(C(=O)CSc3nnc(-c4cccs4)n3Cc3ccccc3)cc2N1,CID2125696,,,,,0.0,,,,,,,,,,,0.0,0.0
CCOc1cc(C2CC(=O)N3CN(C4CCCCC4)CSC3=C2C#N)ccc1O,CID3160872,0.0,,,0.0,,,,0.0,,,,,,,,,
O=C1c2ccccc2C(Nc2ccc3c(c2)OCCO3)N1Cc1ccc2c(c1)OCO2,CID5308601,0.0,,,,,,,0.0,,0.0,,,0.0,,,,
CCOC(=O)C1CCCN(C(=O)Cn2sc3nc(C)cc(C)c3c2=O)C1,CID5308606,,,0.0,,,,0.0,,,,,,,,,,0.0
CC(=O)c1cc2c(cc1NC(=O)c1cc(C)nn1-c1ccccc1)OCO2,CID5308605,0.0,0.0,0.0,,,,,,,0.0,,,,,,,
COC(=O)c1ccc(/C=N/N2C(=O)CN(C(C)C)C2c2ccc(C(=O)OC)cc2)cc1,CID4010365,,,,,,,,,,,,,,,0.0,,
COc1ccc(S(=O)(=O)NN=C2CCCC2)cc1,CID795763,,,,,,,,,,,,0.0,,,,,
Cn1c(=O)c2c(ncn2CCN(CCO)Cc2ccccc2)n(C)c1=O,CID646330,,0.0,,,,,0.0,0.0,,,,,,,,,
O=C(C1CCC1)N(CCc1ccccc1)Cc1nc(=O)c2ccccc2[nH]1,CID646331,0.0,,0.0,,,0.0,0.0,,,,,,,,,,0.0
O=C(Cn1c(-c2cncs2)nc2ccccc21)NC1CCCC1,CID651621,0.0,0.0,,0.0,0.0,,,,,,0.0,,,,,0.0,
Cc1sc(NC(=O)CSc2nc(N)n(CC(=O)c3ccccc3)n2)c(C#N)c1C,CID646334,,0.0,,,,,,,0.0,0.0,,0.0,,,,0.0,
O=C(Nc1ncnc2sc3c(c12)CCCCC3)c1ccco1,CID651628,0.0,,,0.0,0.0,,,,0.0,0.0,0.0,,0.0,,,,
Cc1nn(-c2ccccc2)c2c1/C(=N/O)CC(C)(C)C2,CID663045,0.0,,,0.0,,,,0.0,,,,0.0,,,,,
C=CCn1c(SCC(=O)Nc2cc3oc4ccccc4c3cc2OC)nnc1-c1cnccn1,CID663049,0.0,0.0,0.0,0.0,0.0,,,0.0,,,,,,,,0.0,
CCCCN(/N=N/c1nonc1OC)c1nonc1OC,CID2863135,,,,,,,,,,0.0,,,,,,,
CSc1ccc(/C=C(/Sc2nnc(-c3ccccc3)o2)C(=O)O)cc1,CID2496124,,,,,,,,,,,,,,0.0,,,
O=C(Oc1ccc(N(Cc2cccs2)C2=NS(=O)(=O)c3ccccc32)cc1)c1ccco1,CID1293207,,,,,,,,,,,,,,,,0.0,
O=C1CC(O)(C(F)(F)F)Oc2c1ccc1ccccc21,CID3824823,,,,,,,,,,,,0.0,,,,,
Cc1ccc(-n2cnnn2)c2cccnc12,CID750061,,0.0,0.0,0.0,,,,0.0,,,,,,,,,
Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)nnn1CCc1ccccc1,CID5309559,,,0.0,,,,,,,,,,,,,0.0,
COc1ccc(C(=O)NNC(=O)Cc2ccc(-c3ccccc3)cc2)cc1OC,CID1107939,,,,,,,,,,,,0.0,,,,,
O=C1Nc2ccc([N+](=O)[O-])cc2OC1CCN1CCCC1,CID4296053,,,,,,,,,,,,,,,0.0,,
N=c1nc(N)nc2n1NC(c1ccc(F)cc1)=CS2,CID650579,,,,,,,,,,,,,,,,0.0,
O=c1ncnc2[nH]n(-c3ccccc3)nc1-2,CID686268,,0.0,0.0,0.0,,,,0.0,,,,,0.0,0.0,,,
O=C(CN1CCC(Cc2ccccc2)CC1)Nc1ccc2c(c1)OCCO2,CID2332755,,,,,,,,,0.0,,,,,,,,
COc1ccc(C(=O)C2CCCCC2=O)cc1,CID244418,,,,0.0,,,,0.0,,,0.0,,,,,,
Cc1nnc(NC(=O)CSC2CCCCC2)s1,CID4446089,0.0,0.0,,,0.0,,0.0,,,,0.0,,,,,,
CS(=O)(=O)N1CCC(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1,CID1005619,0.0,0.0,,0.0,0.0,,,,0.0,0.0,,,0.0,0.0,,,
CCOC(=O)C1CCCN(C(=O)c2ccc(CS(=O)(=O)Cc3ccccc3C)o2)C1,CID3238107,,,,,,,0.0,,,,,,0.0,,,0.0,
CCn1cc(C=C2C(=O)NC(=O)NC2=O)c2ccccc21,CID2869169,,,,,,0.0,,,,,,,,,,,
O=C(NCc1ccccn1)c1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1Cl,CID2998616,0.0,0.0,,0.0,0.0,,,,0.0,,0.0,0.0,,,,,0.0
COc1ccccc1-c1c(C#N)c(SCC(=O)N2CCCC2)nc(C)c1C(N)=O,CID2998610,,,,,,,,,,,,,,0.0,0.0,,
COc1ccccc1-n1c(SCC(=O)N(C)C2CCS(=O)(=O)C2)nc2ccccc2c1=O,CID2998611,,,,,0.0,0.0,,,,,,,,,0.0,,
O=C(NC1CC1)C1CCN(Cc2cnn(-c3ccccc3)c2-n2cccc2)CC1,CID4610299,,,,,,,,,,0.0,,,,,,,
O=C(Nc1cccc(C(=O)N2CCOCC2)c1)NC1CCCCC1,CID655876,,,,0.0,,,,,,,,0.0,,,,,
CC1CCc2nc(NC(=O)c3cc(C(C)(C)C)nn3C)sc2C1,CID655874,0.0,,,,,,,,,,0.0,,,,,0.0,
O=C(NCc1ccccc1)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)CC1CCCO1,CID655873,,,0.0,,,0.0,,,0.0,,,0.0,,,,,0.0
c1ccc2c(c1)nc1n2C2(N3CCOCC3)CCCC2C1N1CCOCC1,CID655879,,,,,,,0.0,0.0,,,,,,,,,
Cc1cccc2cc(CN(CC3CCCO3)C(=O)c3cccnc3)c3nnnn3c12,CID655878,,,,,,0.0,,,,0.0,,,,,,,
Cn1ccnc1/C=C(/OC(=O)c1ccccc1)c1ccccc1,CID5343949,,,,,,0.0,,,,,,,,,,,
O=C(CCn1cccc1)N1CCc2ccccc21,CID3242701,,,,0.0,,,,,,,,,0.0,,,,
O=C(CCN1C(=O)COc2ccccc21)N1CCN(c2ccccn2)CC1,CID3242706,,,,,,,,0.0,,,0.0,,0.0,,,,0.0
O=C(NCc1ccccn1)/C(=N\O)c1ccccc1,CID6411264,,,,,,,,0.0,,,,,,,,,
O=C(NC1CCCCC1)N1CCS/C1=N\c1ccccc1,CID658967,0.0,0.0,,,0.0,0.0,,0.0,,,,,,,,,
O=C(N1CCOCC1)N(Cc1ccccc1)c1ccccn1,CID658965,,,,0.0,,,,,,,,,,,,,
Cn1c(Cn2cnc(Cl)c2Cl)nc2ccccc21,CID658962,0.0,,,,,,,,,0.0,,,,,,,
CCOC(=O)C1(C(=O)OCC)C(c2ccccc2)CC(O)N1C(C)=O,CID658963,,,,,,0.0,0.0,,,,,,0.0,,,,0.0
Cc1cc(C)n(C(=O)CNC(=O)c2ccc3c(c2)OCCO3)n1,CID658961,,,,0.0,,0.0,,,0.0,,0.0,,,,,,0.0
O=C(c1csc2c1CCCC2)N1CCCCC1,CID2072949,,,,,0.0,,0.0,,,,,,0.0,,,,
O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)NCC1CCCO1,CID3665845,0.0,0.0,,,,,,,,,,,,,,0.0,
CN1/C(=C\C(=O)COC(=O)C2COc3ccccc3O2)C(C)(C)c2ccccc21,CID5742529,,,,,,,,0.0,,,,,,,,,
O=C(CS(=O)CC(=O)N(CC(=O)NC1CCCC1)C1CCCC1)Nc1ccc(F)cc1,CID644408,,,,0.0,,,,,,,,0.0,,,,,
O=C(NCC1CC1)C1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1,CID644409,,0.0,,0.0,,,,,,,0.0,,0.0,,,,0.0
CC1Cn2c(nc3c2c(=O)[nH]c(=O)n3C)O1,CID644404,,,,0.0,,,,,,,,,,,,,
COc1cc2cc(C(c3nnnn3C3CCCCC3)N(C)C3CCCCC3)c(=O)[nH]c2cc1OC,CID644405,,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1c(-c2cccc(C)c2)csc1NC(=O)c1c(-c2ccccc2)noc1C,CID1748344,,,,,,0.0,,,,,,,,,,,
O=C(CSc1nnnn1-c1ccc2c(c1)OCCO2)Nc1nc2c(s1)CCCC2,CID644402,,0.0,,,,0.0,,,0.0,,,,,,,0.0,0.0
N#Cc1c(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccco2)sc2c1CCCC2,CID644403,,,0.0,0.0,0.0,0.0,,,,,0.0,,,,,0.0,
Cc1c(Nc2nc3ccccc3nc2N2CCN(c3ccccc3)CC2)c(=O)n(-c2ccccc2)n1C,CID1349138,,,,,,,,,,,,,,,,,0.0
c1ccc(CNc2c3c(nc4ncnn24)CCCC3)nc1,CID645154,,,0.0,,,,,0.0,,,,0.0,,,,,
Cc1cccc(CSCCNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c1,CID2288692,,,,,,0.0,,,,,,,,0.0,,,
Cn1cnc(S(=O)(=O)N2CCc3ccccc32)c1,CID3237010,,,,,,,,0.0,,0.0,,,0.0,,,,
O=C(NCCN1CCOCC1)c1cc(=O)[nH]c2ccc(Br)cc12,CID3237016,0.0,,,,,,,,,,,0.0,,,0.0,0.0,
C(=N/c1nc2ccccc2n1CCN1CCCCC1)\c1cccs1,CID658342,,,,,,,0.0,0.0,,0.0,0.0,,0.0,,,0.0,
O=C(CN1CCOCC1)OCCCc1ccccc1,CID658343,,,,,,,,0.0,,,,,0.0,,,0.0,0.0
COc1ccc(C(=O)C(CN2CCCC2)c2ccccc2)cc1,CID658341,,,,,,,,,,0.0,0.0,0.0,,,,,
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N(C)Cc1ccccc1,CID866267,,0.0,,0.0,,,,0.0,,,,0.0,,,,0.0,
O=C(Nc1nnc(CC2=CCCCC2)s1)c1cccs1,CID2199218,0.0,,0.0,0.0,0.0,,,,0.0,,,,0.0,0.0,,,
CC(=O)C(Cc1cccc(F)c1)(Cc1cccc(F)c1)C(C)=O,CID1480026,,,,,,,,,,,,,,,0.0,,
O=C(CN1CCN(Cc2ccccc2)CC1)NCC1COc2ccccc2O1,CID2907678,,,,,,,,0.0,,,,0.0,,,,,0.0
CC1(C)C(C=C(Cl)Cl)C1C(=O)N(Cc1cccc(Cl)c1)C1CCS(=O)(=O)C1,CID4556124,,,,,,,,,,,,,,0.0,,,
O=C(Cc1cccs1)N1CCN(S(=O)(=O)c2ccccc2)CC1,CID2225174,,,,,,,,,,,,,,0.0,0.0,,
O=C1CCNc2cc3ccccc3cc21,CID607541,,,0.0,,,,,,,,0.0,,,,,0.0,
N#Cc1nc(-c2ccc(OCc3ccccc3)cc2)oc1NCCN1CCOCC1,CID664301,0.0,,0.0,,,,0.0,,,,,0.0,,,,,
O=C(NCCCCCCNC(=O)NCc1ccco1)NCc1ccco1,CID329036,,,,,,,,,0.0,,,,,,,,
CCOC(=O)C1(c2csc(N)n2)COC(=O)C1,CID3143117,,,,,,,,,,,,,0.0,,,,0.0
c1ccc(N(c2ccccc2)c2nc(N3CCCC3)nc(-n3ccnc3)n2)cc1,CID1266457,,,,,,,,,0.0,,,,,,,,0.0
c1csc(-c2ncc3ccccn23)c1,CID1266459,,,,,0.0,,,,,,,,,,,,
O=C(NO)c1ccc(C(=O)N(C2CCCCC2)C2CCCCC2)cc1,CID754572,0.0,,0.0,,,,,,,,,,,,,,
c1ccc(CCN2CCC(N3CCN(c4ccccc4)CC3)CC2)cc1,CID2846536,,,0.0,,,,,0.0,,,,,,,,,0.0
Cc1cc(NC(=O)c2ccccc2F)ncc1NC(=O)c1cccs1,CID1449349,,,,,,,,,,,,,,0.0,0.0,,
Cc1cc(C)n2ncc(C(=O)NC3CCCCC3)c2n1,CID1097821,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)Oc2c(C)occc2=O)cc1OC,CID1523617,,,0.0,,,,,,0.0,,0.0,,,,,,
COc1cccc2c1OCC(C(=O)O)C2,CID3163250,,,,,,,,,,,,,,,0.0,,
CC1Cc2ccccc2N1C(=O)Cc1cccs1,CID2971209,,,,,0.0,,0.0,,,0.0,,,,,0.0,,
O=NC1=C2C(=NNC3=C2CCCC3)CCC1,CID5375607,,,,,,0.0,,,,,0.0,,,,,,
CC(c1ccc(Cl)cc1)n1c(-c2ccc3ccccc3n2)n[nH]c1=S,CID2979944,,,,,,,,,,,,0.0,,,,,
Cc1noc(C)c1C(=O)OCC(=O)NC(c1ccccc1)c1ccccc1,CID2416796,,,,,,,,,0.0,,0.0,,,0.0,,,
c1ccc(Cn2nnnc2-c2ccco2)cc1,CID763759,,0.0,,0.0,,,0.0,0.0,,,,,,,,,
CCOc1ccc(C2=NNC(c3ccc(N4CCOCC4)cc3)=c3ccccc3=N2)cc1,CID3169593,,,,,,0.0,,,,,,,,,,,
CCC1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CC)CC2)cc1,CID651007,,,,,,,,,0.0,,,,,,,,
Cc1cccc(C)c1NC(=O)C1CCCN(CCCc2ccccc2)C1,CID2894396,,,,,,,,,,0.0,,,,,,,
O=C(COc1ccccc1)N1CCN(C2CC3CCC2C3)CC1,CID3149188,,,,,,,,,0.0,0.0,,,,,,,
CCN(CC(=O)NCc1ccc(F)cc1)CC(=O)Nc1ccccc1-c1ccccc1,CID4879579,,,,,,,,,,,,,,0.0,,,
O=C1C=CC(=CNNC(=O)c2cc(-c3ccc4c(c3)OCO4)n[nH]2)C=C1,CID5534187,,,,,,,,,,,,,,0.0,,,
O=S(=O)(Nc1ccc(N2CCCCC2)cc1)c1cccc2cccnc12,CID987219,0.0,0.0,0.0,,0.0,,,,,,,,,,,0.0,
CC(=O)c1oc2ccccc2c1NC(=O)COC(=O)c1ccc(-n2nc(C)cc2C)cc1,CID2550829,,,,,0.0,,0.0,,,0.0,0.0,,,,,,
CCOc1ccc2nc(NS(=O)(=O)c3ccc4c(c3)n(C)c(=O)n4C)sc2c1,CID1291706,0.0,,,,0.0,,0.0,,0.0,,0.0,0.0,,,,,0.0
COc1ccccc1Cn1c(=O)c2ccccc2n2c(Sc3ncnc4sccc34)nnc12,CID2559969,,,,0.0,,0.0,,,,,,,,0.0,,,0.0
COc1ccccc1CN(C(=O)Cc1cccs1)C(C(=O)NC1CCCC1)c1ccncc1,CID3202578,,,,,,0.0,,,,,,0.0,,,,,
CC(=O)Nc1ccc(NC(=C2C(=O)c3ccccc3C2=O)c2ccccc2)cc1,CID1335075,,,,,,,,,,,,,,,0.0,,
O=C(NC1C=CS(=O)(=O)C1)c1sc2ccccc2c1Cl,CID2973977,,,,,,,,,0.0,,,,,,,,
O=c1c2c3c(sc2ncn1/N=C/c1cccnc1)CCCC3,CID1537240,,,,,,,,,,,,,,,0.0,,
CCOC(=O)N1CCC(NC(=O)C2CCN(c3nc(-c4ccc(OC)cc4)no3)CC2)CC1,CID3245236,,,0.0,,,0.0,,,,,,,,,,,
CCOC(=O)N1CCC(NC(=O)C2CCCN(c3nc4ccccc4o3)C2)CC1,CID3245230,0.0,0.0,,0.0,0.0,0.0,,,,,,,,,,,
O=C(C(NS(=O)(=O)c1cccc2nsnc12)c1ccccc1)N1CCN(c2ccccn2)CC1,CID3245239,,0.0,,,,,,,,,,,,,,0.0,1.0
O=C1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1ccccc1,CID5337538,,,,,,0.0,,,,,,,,,,,
O=C(CC1c2ccccc2Oc2ccccc21)N1CCN(c2ccccn2)CC1,CID1129966,,0.0,0.0,,0.0,0.0,,0.0,0.0,,,,,,,,
COc1ccc(Cl)cc1N(CC(=O)N1CCN(Cc2ccccc2)CC1)S(C)(=O)=O,CID1148829,,,,,0.0,,,,0.0,,,0.0,,,,,
N#Cc1nc(Cc2cccc3ccccc23)oc1NCCN1CCOCC1,CID2005347,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1c(C)c(C(=O)NCCCN2CCCC2=O)c(C)n1CC,CID3241614,,,,0.0,,,0.0,,,,,,,,,,
Cc1nnc(NCc2ccco2)s1,CID1096905,,,,,,0.0,,,,,,,,,,,
Cc1cc2c(c(=O)n1Cc1ccco1)C(c1cccnc1)C(C#N)=C(N)O2,CID667105,,,0.0,,,,,0.0,,,0.0,,,,,0.0,0.0
O=C1c2ccccc2C(=O)N1CC1c2ccccc2CCN1S(=O)(=O)c1ccccc1,CID2920708,,,,,,0.0,,,,,,,,,,,
O=C(c1cc2ccccc2c(=O)o1)N1CCCc2ccccc21,CID583516,,,,,,0.0,,0.0,0.0,,0.0,,,,0.0,,
O=C(CSc1nc(O)cc(=O)[nH]1)N1c2ccccc2Sc2ccccc21,CID1129344,,,,,,,,,,,,,,0.0,,,
CCCC12CN3CC(CCC)(CN(C1)C3c1ccccn1)C2=O,CID666820,,0.0,,,,,,,,0.0,,,,,,,
Fc1ccccc1N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID791274,,,,0.0,,,,,,,,,0.0,,,0.0,
c1coc(-c2nn3c(Cn4nnc5ccccc54)nnc3s2)c1,CID666827,,,,,,,,,,,0.0,,,,,,
COCCn1c(C2CCCCC2)nc2sc3ccccc3c(=O)c2c1=O,CID666824,,,,,,,0.0,,0.0,0.0,,,,,0.0,,0.0
Cc1ccccc1C(=O)Nc1cccc(NC(=O)Cn2cnc3c(=O)n(C)c(=O)n(C)c32)c1,CID2211133,,0.0,,,,,,,,,,0.0,,,,,
Cc1ccc2oc(=O)cc(/C=C/c3ccccc3)c2c1,CID1235194,,,,,,,,,,,,,,0.0,,,
COc1ccccc1NC(NC(=O)c1cccnc1)C(Cl)(Cl)Cl,CID3092422,,,,,,,,,,,,,,0.0,,,
CC(NC1CCCC1)C(=O)Nc1ccccc1-c1ccccc1,CID3229592,,,,,,,,,,0.0,,,,,,,
CC1CCc2nc(NC(=O)CN3CCOCC3)sc2C1,CID2945912,,,,0.0,,,0.0,,,,,,,,,,
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1,CID1379398,,,,,,0.0,,,,,,,,,,,
O=C(CSc1nnc(COc2cccc3ccccc23)o1)N1c2ccccc2CCc2ccccc21,CID1155279,,,,,,,,,,,0.0,,,,,,
O=C(CSc1nc2c(sc3ccccc32)c(=O)n1CCCN1CCOCC1)NC1CCCC1,CID6620454,,,,,,0.0,,,,,,,,,,,
C=CCn1c(SCC(=O)Nc2ccccc2)nc2scc(-c3cccs3)c2c1=O,CID2406970,,,,,,,,,,,,0.0,,,,,
O=C(CC(c1ccco1)C1CCCCC1=O)c1ccccc1,CID2859103,,,,,,,,,,,,,,,0.0,,
O=C(CCCc1ccccc1)Nc1cccc2c1CCCC2,CID2907321,,,,,,,,,,,0.0,,,,,,
COc1ccc(C=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1,CID81543,,,,,,,,,,,,0.0,,,,,
CN1CCN(C(=O)c2ccc3ccccc3c2)CC1,CID787690,,0.0,,,,,,,,,,0.0,,,,0.0,
N#Cc1c(-c2ccccc2Cl)cc(-c2ccccc2)[nH]c1=S,CID733413,,,,,,,,,,,,,,0.0,,,
COc1ccc2cc(C3CC(c4cccs4)=NN3S(C)(=O)=O)c(Cl)nc2c1,CID3721495,,,,,,,,,,,,,,,0.0,,
O=S(=O)(c1ccc(Cl)nc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID4882540,,,,,,,,,,0.0,,,,,,,
COc1ccc(NC(=O)C2C3C=CC(C3)C2C(=O)NCc2ccco2)cc1,CID649427,,,,,,,,0.0,,,,,,,,,0.0
CCOC(=O)c1[nH]cnc1C(=O)NC1CCCCC1,CID649420,,0.0,,,,,,0.0,0.0,,0.0,0.0,,,,,
Cc1ccccc1-n1c(=O)c2ccccc2n2c(=O)[nH]nc12,CID649422,,,,0.0,,0.0,,0.0,0.0,,,,,0.0,,0.0,0.0
O=C(NCc1ccco1)C(c1cccs1)N(C(=O)Cc1cccs1)c1ccccc1,CID649429,,,,,,,0.0,,,0.0,0.0,,,,,,0.0
O=S(CC(O)COCc1ccc(Cl)cc1)c1ccccn1,CID2842704,,,,,,,0.0,,,0.0,,,,,,0.0,0.0
Cc1ccccc1Nc1nc(N)nc(CSCC(=O)Nc2cccc(Br)c2)n1,CID4780009,,,,,,,,,,,,,,0.0,,,
Cn1c(SCC(N)=O)nnc1C1CCN(C(=O)NC2CCCCC2)CC1,CID655121,,0.0,,0.0,,,,,,,0.0,,0.0,,0.0,0.0,
O=C(Nc1ccc(N2CCOCC2)cc1)c1cccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c1,CID4969129,,,,,,,,,0.0,,,,,,,,
Nc1nnc(C(c2ccccc2)c2ccccc2)s1,CID2772301,,,,,,0.0,,,,,0.0,,,,,,
Cc1cc(C)nc(-n2nc(C)cc2NC(=O)c2cc(=O)c3ccccc3o2)n1,CID2381393,,0.0,0.0,0.0,,,,0.0,,0.0,,,0.0,,,,
COC(=O)c1sc2ccccc2c1NC(=O)c1cccs1,CID3239562,,,0.0,,,,,,,0.0,,,,,,,
CC(C)(C)c1ccc(COC(=O)CNC(=O)CNC(=O)Cc2ccccc2)cc1,CID2238677,,,,,,,,,,,,0.0,,,,,
CCOC(=O)N1CCN(C(=O)c2ccc3c(=O)n(CCc4ccccc4)c(=O)[nH]c3c2)CC1,CID3239567,,,,,,,,,0.0,,,0.0,0.0,,,,
Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N3CCC4(CC3)OCCO4)ccc2N2CCCCC2)cc1,CID3239568,,,,,,0.0,0.0,,,,,,0.0,,,,
O=C(c1ccccc1)C1C2C(=O)N(c3ccc4c(c3)OCO4)C(=O)C2C2C=Cc3ccccc3N21,CID660232,,,,,,,0.0,,,,,,,,0.0,,
CCCc1ccc(Oc2coc3cc(OCC(=O)Nc4ccccc4C)ccc3c2=O)cc1,CID2484172,,,,,,,,,,,,,,0.0,,,
CN(C(=O)C1CCOC1)c1nnc(-c2ccccn2)s1,CID646950,,0.0,,,,,,0.0,,,,0.0,,,,,
CCOC(=O)N1CCN(C(=O)CSc2nc3c([nH]c4ccccc43)c(=O)n2C)CC1,CID3470924,,,,,,,,0.0,,,,,,,,,
COc1cc(OC)cc(-c2cc3nc4c(c(N5CCN(c6cnccn6)CC5)n3n2)CCCC4)c1,CID646958,0.0,,,,,,,,,,,,,,,,
Cc1ccc(S(=O)(=O)N2CCCC2)cc1S(=O)(=O)N1CCCC1,CID646959,,,0.0,0.0,0.0,,,,0.0,,0.0,,0.0,0.0,,,
Cc1nn(CC(=O)Nc2ccc3c(c2)nc(CN2CCCCC2)n3C)c(=O)c2ccccc12,CID1248485,,,0.0,,,,,,,,,0.0,,,,,0.0
CCc1ccc(N2NC(=O)/C(=C/C=C/c3ccco3)C2=O)cc1,CID1824291,,,,,,,,,,,,,,0.0,,,
CCn1c(COc2cccc3ccccc23)nnc1SCC(N)=O,CID652261,,0.0,,0.0,,,0.0,0.0,0.0,,0.0,,0.0,,,0.0,0.0
N#CCCCSc1nnc(-c2ccccn2)o1,CID652260,,0.0,,0.0,,,0.0,,0.0,,0.0,,,,,0.0,
COc1ccc(OC)c(C(c2nnnn2CCc2ccccc2)N2CCC(C(N)=O)CC2)c1,CID652269,,,,,,,0.0,,,0.0,,,,,,,0.0
CC(=O)N1N=C(c2ccncc2)CC1c1ccccc1O,CID3159801,,,,,,,,,,,,,,,0.0,,
O=C(NCc1ccco1)/C(=C/c1cccnc1)NC(=O)c1ccco1,CID1606763,,,,,,,,,,,,0.0,,,0.0,,
Brc1ccc(-c2cn3ccccc3n2)s1,CID711734,,,,,,,,,,,,,,0.0,,,
O=C(C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1)N1CCN(c2ccccn2)CC1,CID3239277,0.0,,,0.0,,,,,0.0,,,,,,,,0.0
O=C(CN1CCN(c2ccccn2)CC1)N(c1ccccc1)c1ccc2ccccc2c1,CID653459,,,,,,,,,,0.0,,,0.0,,,,0.0
O=C1c2ccccc2C(=O)N1CCCn1c(=O)oc2ccccc21,CID210031,,,0.0,0.0,,,,,,,,,,,0.0,,
Cc1nn(C)c(C)c1S(=O)(=O)NC1CCCC1,CID3235601,,0.0,,0.0,,,,,,,,0.0,0.0,,,,0.0
O=C(Oc1ccc2ccc(O)cc2c1)C1CCCCC1,CID837896,,,,,,,,,,,,,,0.0,,,
O=C(N1CCCCC1)N1CCCN(C(=O)N2CCCCC2)CC1,CID2946039,,,,,,,,0.0,0.0,,,,0.0,,,,
C=CCN1CC(c2nc3ccccc3n2Cc2cccc3ccccc23)CC1=O,CID3161608,,,,,,0.0,,,,,0.0,,,,,,
O=c1cc(CSc2nc3ccccc3[nH]2)c2ccccc2[nH]1,CID1249990,,,,,,,,,,,0.0,,,,,,
O=C(NCc1ccco1)c1sc(=S)n2c1[nH]c(=O)c1ccccc12,CID3235608,,0.0,,,,0.0,0.0,,0.0,0.0,,,0.0,,,,0.0
Cc1cc(-n2c(C)cc(C(=O)CSc3ccc4c(c3)OCCO4)c2C)no1,CID2616131,,,,,0.0,,,0.0,,,,,,0.0,,,
Cc1cc(=O)nc(/N=C(\N)Nc2cccc3ccccc23)[nH]1,CID1636867,,,0.0,0.0,,,,0.0,,,,,,0.0,,,
COc1ccccc1OCc1ccc(C(=O)Nc2ccncc2)o1,CID717087,0.0,,,1.0,,,,0.0,0.0,,0.0,0.0,,,,,
c1ccc(CC2CCN(C(c3cccs3)c3nnnn3C3CCCC3)CC2)cc1,CID651241,0.0,,,,,,0.0,,,,0.0,,,,,,
CCN(Cc1ccccc1)C(c1ccccn1)c1nnnn1C(C)(C)CC,CID651242,,0.0,,0.0,,0.0,,,,,,,,,,,
CS(=O)(=O)NC1c2cccc3cccc(c23)C1N1CCOCC1,CID2941876,,0.0,,0.0,,,0.0,0.0,,,0.0,,0.0,,,,0.0
CC1=C(C#N)C2C(/C1=N/O)C2(C)C,CID2856210,,,0.0,,,,,0.0,,,,,,,,,
CN(C)/C=C1\N=C(c2ccc3c(c2)OCO3)OC1=O,CID878657,,,,,,,,,,0.0,,,,,,,
Cc1cc(-n2c(C)cc(C(=O)CSc3nc4ccccc4c(=O)n3Cc3ccco3)c2C)no1,CID2490410,,,0.0,,,,,,,,,,,,,0.0,0.0
Cc1c(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)c(=O)n(C)c(=O)n1C,CID5310049,,,,0.0,,,,,,,,,,,,0.0,
N/C(=N\OC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccn1,CID5346133,,,,,,,,,,,,,,0.0,,,
CS(=O)(=O)N1CCC(C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1,CID1082619,,,0.0,,0.0,,,,,0.0,0.0,,,0.0,,,
CC1Cc2ccccc2N1C(=O)CSc1nc2cc3c(cc2cc1C#N)OCO3,CID653519,,0.0,,,,0.0,,0.0,,,,0.0,0.0,,,,0.0
Cn1c(-n2c(CCN3C(=O)c4ccccc4C3=O)nc3ccccc3c2=O)nc2ccccc21,CID1366419,0.0,0.0,0.0,,,,,,,,,,,,,,
Nc1nc(-c2cccnc2)nn1C(=O)c1ccco1,CID971909,,0.0,,0.0,,,,,,0.0,,,,,1.0,,
O=C(NCc1cccnc1)Nc1cccc(NC(=O)NCc2cccnc2)c1,CID584132,,0.0,,,,,,,,,,,,,,0.0,
COc1ccc(CNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)cc1,CID2340723,,,,,,,,,,0.0,,,,,,,
O=c1oc2ccccc2c(NC(c2ccccc2)c2ccccc2)c1[N+](=O)[O-],CID2916081,,,,,,,,,,,,,,0.0,0.0,,
Cc1ncc(CN2CCN(C(C)C)C(CCO)C2)s1,CID16187223,,,,,,,,,,,,,,,0.0,,
CN1C(=O)C(=CNCCCNC2CCCCC2)C(=O)N(C)C1=O,CID5389536,,,,0.0,,,,,,,,,,,0.0,,
O=C1c2ccccc2S(=O)(=O)N1Cc1nc2ccccc2s1,CID736314,,0.0,,,0.0,0.0,0.0,,0.0,0.0,0.0,,,0.0,0.0,,
CC(C)c1ccc(S(=O)(=O)/N=C2\C=C(Sc3ncn[nH]3)C(=O)c3ccccc32)cc1,CID3318359,,,,,,,,,,,,,,0.0,,,
c1ccc(Nc2n[nH]nc2-c2ccccc2)cc1,CID6401302,,,0.0,,,,0.0,,,,,,,,0.0,,0.0
CC(=O)NC1C(=O)N(CCc2ccccc2)c2ccccc21,CID646107,,,,,0.0,0.0,,,,,,,0.0,,0.0,0.0,0.0
CCOC(=O)c1ccc(S(=O)(=O)n2c(CN3CCCCC3)nc3ccccc32)cc1,CID646101,,,,0.0,0.0,0.0,,,,0.0,,,,,,0.0,
C1=C(C(c2nnnn2C2CCCCC2)N2CCCCC2)COc2ccccc21,CID646100,,0.0,0.0,,,0.0,,,,,,,,,,,0.0
Cc1nc(=O)cc(-c2ccccc2)n1-c1ccccc1,CID2303894,0.0,,,,,,0.0,0.0,,,,0.0,,,,0.0,
COC(=O)C1=C(C)N(CC2CCCO2)C(=O)C1,CID2906421,0.0,,,,,0.0,,,,,,,0.0,,,,
CCOC(=O)C1=C(C)N=C(SC)N(C)C1c1ccccc1,CID3934007,,,,,,0.0,,,,,,,,,,,
O=C(CCCC(=O)n1cnc2ccccc21)n1cnc2ccccc21,CID898934,,0.0,0.0,0.0,,,0.0,,,,,,0.0,0.0,,,0.0
Cc1cc(OCC(=O)N2CCOCC2)ccc1NC(=O)C1CCCCC1,CID1300364,,0.0,0.0,,,,0.0,,0.0,0.0,,,,,,,
CC1(C)CS/C(=N\Cc2ccccc2)N1C(=O)c1cccc([N+](=O)[O-])c1,CID2671921,,,,,,,,,,,,,,0.0,,,
COc1cc2c(cc1OC)C(c1cc3cc(OC)c(OC)cc3[nH]c1=O)N(C(=O)C1CC1)CC2,CID653149,,,,0.0,,,,0.0,0.0,0.0,,,,,,,
CCOC(=O)N1CCC(Nc2c(Nc3ccc(C)c(C)c3)c(=O)c2=O)CC1,CID3243374,,,,,,,,0.0,,,,0.0,,,,,
O=C(c1cc2ccccc2c(=O)o1)N1CCc2ccccc2C1,CID3243372,,,,,,,,0.0,0.0,,,,,,,,
COc1ccc(C2OC(=O)CC2C(=O)NC2CCCCCC2)cc1OC,CID3236247,,0.0,,,,0.0,0.0,,,,,,0.0,,,,
CCOC(=O)N1CCN(C(=O)Cc2ccc(-n3c(=S)[nH]c4ccccc4c3=O)cc2)CC1,CID3236244,,,0.0,,,,,,,,,,0.0,,,,0.0
Cc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)NCc2ccc3c(c2)OCO3)cc1,CID3236243,0.0,0.0,0.0,,,,,,,,,,,,,0.0,0.0
O=c1oc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)nc2ccccc12,CID3236240,,,,,0.0,,,,,0.0,,,1.0,,,0.0,
Cc1c(N2C(=O)/C(=C\c3cccc4ccccc34)SC2=S)c(=O)n(-c2ccccc2)n1C,CID1901715,,,,,,,,,,,,,,0.0,,,
CC(C)(C)/N=C1\N=C(NC(C)(C)C)c2ccccc21,CID732116,,,,0.0,,,0.0,0.0,0.0,,,,,0.0,,,
COc1ccc(CNC(=O)C(C#N)c2nc3ccccc3nc2N2CCN(C)CC2)cc1,CID659911,,0.0,0.0,,,,,,,,,,,0.0,,,
Cc1ccc2oc(-c3ccco3)nc2c1,CID659913,,,0.0,,,,,,0.0,,,,0.0,,,0.0,
Cn1nnc2cc(C(=O)NC3CCCCC3)ccc21,CID900740,,0.0,0.0,0.0,,,,,,,,0.0,,,,,
COc1cc2c(=O)n(Cc3ccccc3)c(=O)n(CC(=O)NCCc3ccccc3)c2cc1OC,CID9550541,,,,,,,,,,,,0.0,,,,,
CC(=O)c1cc2c(cc1NC(=O)c1cnc(C)cn1)OCO2,CID646639,,,0.0,,,,,,0.0,,,,,,,,
Cc1noc(C)c1S(=O)(=O)N1CCC2(CC1)OCCO2,CID2813382,,,,,0.0,,0.0,,,,,,,,,0.0,
O=C(OCN1C(=O)c2ccccc2C1=O)C1CCCCC1,CID895881,,,0.0,,,,,0.0,0.0,,,,0.0,0.0,,0.0,
C/C(=N\N1CCN(c2ccc(Cl)cc2)CC1)c1cccs1,CID895886,,,,,,,,,,,,,,,0.0,,
O=C(Nc1cccnc1)c1cnc2ccccc2n1,CID3237194,,0.0,0.0,,,,,0.0,,,,0.0,,,,,
CC(=O)C1=C(O)C=C(c2ccco2)CC1c1ccco1,CID3237195,,,,,,0.0,,,,,,0.0,,,,,
CC(OC(=O)CCc1nc(=O)c2ccccc2[nH]1)C(=O)c1ccc(Br)cc1,CID4875468,,,,,,,,,,,,,,,0.0,,
CC(NC(=O)Cc1cccs1)C(c1cccs1)N1CCOCC1,CID3237199,,,0.0,,0.0,,,,,0.0,0.0,,,,,,
Cc1cccc(Oc2ccc(NC(=O)C3CC=CCC3C(=O)O)cc2)c1,CID2883070,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)n(-c2ccc(-n3ccnc3)nn2)n1,CID2998404,,,0.0,0.0,,,,,,,,,,,,,
Nc1nc(NC(=O)c2ccco2)nn1-c1ccccc1,CID703016,,0.0,,0.0,,,,0.0,,,,,0.0,,,,
COC(=O)C1CCCN1C(=O)C1CCCN1C(=O)CNC(=O)OCc1ccccc1,CID3245748,,,,,,,,0.0,,,0.0,,,,,,
CC1CCCC(NS(=O)(=O)c2ccc3c(c2)OCCO3)C1C,CID2998407,,,,0.0,,0.0,,0.0,,,,,,,,,0.0
O=C(NC(Cc1c[nH]c2ccccc12)c1nnc2n1CCCCC2)c1cccs1,CID2998406,0.0,,0.0,,,,0.0,,,0.0,0.0,,,,,,
CC1CCCCN1C(=O)CSc1nc2ccsc2c(=O)n1Cc1ccccn1,CID3245743,,,,,0.0,,0.0,,,,,,,,,,
Cc1oncc1C(=S)Nc1ccccc1,CID867819,,,,,,,,,,,,,0.0,,,,0.0
CCn1c(CNC(=O)COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1ccccc1,CID3524543,,,,,,0.0,,,,,,,,,,,
O=C(CN1CCOCC1)Nc1ccc(NC(=O)CN2CCOCC2)c(Cl)c1,CID1146668,,,,,,,,,,,,,0.0,,,,
Nc1ncc(Br)cc1S(=O)(=O)NCCC(=O)N1CCN(c2ccccn2)CC1,CID4086582,,,,,,,,,,,,,,0.0,,,
O=C(NCC1CCCO1)C1CCCN1C(=O)NC1CCCCC1,CID647540,,,0.0,,,,,0.0,,,,,,,,,
O=C(Nc1ccc(NC(=S)NC(=O)c2cccs2)cc1)c1ccco1,CID1135856,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1cc2c(C)n(-c3ccc(OCC)cc3)c(C)c2ccc1=O,CID1333106,,,,,,,,,,,,0.0,,,,,
COc1cccc(N2CCN(C(=O)Nc3ccc4c(c3)NC(=O)CO4)CC2)c1,CID3744899,,,,,,0.0,,,,,,,,,,,
CC(=O)C1C(C#N)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C,CID15032,,,,,,,,,0.0,,,,,,,,
O=c1cc(O)oc2c1c(=O)n(Cc1ccccc1)c1ccccc21,CID2784654,,,,,,,,,,,,,,,0.0,,
O=C(CSc1nnc2ccccn12)NCCN1C(=O)CSC1=O,CID2102259,0.0,0.0,,0.0,,,0.0,,0.0,,,,,,,,
O=C(Cn1ncc2c1-c1ccccc1OC2)N1CCc2ccccc21,CID5307830,,,,0.0,,,,,,,,0.0,,,,,
Cc1cc(-c2ccco2)n(CC(=O)NCc2ccco2)n1,CID5307834,,,0.0,,,0.0,,0.0,,,,,,,,,0.0
COc1cccc(C2C(C(=O)OCc3ccccc3)=C(C)N=C3N=CNN32)c1OC,CID5307837,0.0,,,0.0,,,,,,0.0,,,,,,0.0,
Cc1ccc2oc(=O)c3cnn(CC(=O)NCCN4CCOCC4)c3c2c1,CID5307836,0.0,,,,,,0.0,,,,,,,,,,
Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)N1CCN(c2ccccc2)CC1,CID5307838,,0.0,,,,,,,,,,,,,,,
CCn1c(Oc2ccc(Oc3ncc(Cl)cc3Cl)cc2)nc2c1c(=O)n(C)c(=O)n2C,CID1044767,0.0,,,,,,,,,,,,0.0,,,,
CC1=CC(C)(C)N(C(=O)CSc2nncn2C)c2ccccc21,CID698446,,,,,,,,,,,,,,,0.0,,
O=C(c1ccc2c(c1)ncn2C1CCCCC1)N1CCC2(CC1)OCCO2,CID3245103,,,,,0.0,,,0.0,,,,,,,,,
Cn1c(SCC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)nnc1-c1ccncc1,CID3205903,,,,,,,,,,0.0,,,,,,,
NC(=O)c1nsc(C(=O)N(c2ccccc2)C(C(=O)NCC2CCCO2)c2cccs2)c1N,CID3173322,,,,,,,,,,,,,,0.0,,,
CCCc1cc(=O)nc(SCC(=O)Nc2nonc2N)[nH]1,CID603492,,0.0,,0.0,,,0.0,,,,,0.0,,,,,
COC(=O)C1(C(F)(F)F)N=C2Sc3ccccc3N2C(N2CCOCC2)=N1,CID4033962,,0.0,,,0.0,,,,,,,,,,,0.0,
Fc1ccc2nc(Nc3nc4c(s3)CCCC4)sc2c1,CID3240665,,,,,0.0,,1.0,,,,,,,,,,
O=C(CN1C(=O)COc2ccccc21)NCCCN1CCc2ccccc2C1,CID3240666,,,,,0.0,,,,,,,0.0,,0.0,,0.0,0.0
CC1CC(=O)N(CC(=O)NCc2ccco2)c2ccccc2S1,CID3240661,,0.0,0.0,0.0,,,,0.0,,,,,,,,,
C/C(=N\NC(=O)C1COc2ccccc2O1)c1cccs1,CID2837233,,,,,,0.0,,,,,,,,0.0,,,
O=C(c1ccccc1)N1CCN(C2C3CC4CC(C3)CC2C4)CC1,CID571059,,,,,,0.0,,,,,,0.0,,,,,
CC(=O)Nc1cc(C(F)(F)F)ccc1OCC1CCCO1,CID650113,,,,,,,0.0,,0.0,,,,,,,,0.0
O=C(NN=C1CCCC1)c1ccc([N+](=O)[O-])cc1,CID9498,,,,,,,,,,,,,,0.0,,,
O=c1cc(-c2ccccc2)nc2nc(SCc3ccccc3)[nH]n12,CID666176,0.0,,,0.0,0.0,,,,,,0.0,,,,,,0.0
O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc(NS(=O)(=O)c2cccs2)cc1,CID2348264,,,,,,,,,,,,,,0.0,,,
c1ccc(Cn2ncc3c2ncn2nc(-c4ccncc4)nc32)cc1,CID660787,,,,0.0,0.0,,,,,,,,,,,,
O=C(NCCCCC(NC(=O)C1CCCCC1)C(=O)O)c1ccccc1,CID2957116,,,,,,,0.0,,,,,,,,,,
O=C(CCc1n[nH]c(=O)[nH]c1=O)N1CCOCC1,CID6324581,,0.0,,,,,,0.0,,,,,,,,,
CCOC1=CC=C/C(=C2/N=c3c([nH]c(=O)n3-c3cccc(Cl)c3)=C(C(N)=O)N2)C1=O,CID6324587,,,0.0,,,,,,,,,,,,,,
CC1(C)Cc2nc3sc4c(=O)nc[nH]c4c3cc2CS1,CID753335,0.0,,,0.0,,,,,,,,0.0,,,,,
CCn1cc(Br)c(C(=O)NCc2ccco2)n1,CID753334,,,,,,,,,0.0,,,0.0,,0.0,,,
O=S(=O)(c1ccc(NC2CCCCC2)cc1)N1CCOCC1,CID2951411,0.0,0.0,0.0,,0.0,,,,,,0.0,,,,,,
COc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCN(S(C)(=O)=O)CC2)cc1OC,CID1254612,,,,,,0.0,,,,,,,,,,,
O=C(Cc1cccs1)N(Cc1cccs1)C1(C(=O)NC2CCCC2)CCCCC1,CID3374468,,,,,,,,,,0.0,,,,,,,
CCOC(=O)Cn1c(CN2CCc3ccccc3C2)nc2c1c(=O)n(C)c(=O)n2C,CID4892691,0.0,0.0,0.0,,,,,,0.0,,,,0.0,,,0.0,
N#CC1=C(SCc2ccccc2)NC2=C(C(=O)CCC2)C1c1ccc2c(c1)OCO2,CID661470,0.0,,,,0.0,,,,,,,,,,,,
O=C(NCCCNCCCNC(=O)c1ccccn1)c1ccccn1,CID661473,,0.0,0.0,,,,0.0,,,,,,,,0.0,,
C=CCn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1nc2ccccc2s1,CID2232196,,,,,,,,,,,,0.0,,,,,
O=C(NCc1ccccc1)NC(Cc1c[nH]c2ccccc12)C(=O)O,CID662122,0.0,,,0.0,,0.0,,,0.0,,,,,0.0,,0.0,0.0
C=CCC1=CC=C/C(=C\NNC(=O)C(C)Nc2cccc(C)c2)C1=O,CID6533414,,,,,,,,,,,,,,,0.0,,
COCCn1c(N)c(NCc2ccccc2)c(=O)n(CC(=O)Nc2cc(C)ccc2C)c1=O,CID2369697,,,,0.0,,,,,,0.0,,0.0,,,,0.0,
Nc1nc2nonc2nc1N1CCCCC1,CID534506,,0.0,0.0,,,,,,,,,0.0,,,,,
c1cc2c(cc1Cn1cnnn1)OCO2,CID650409,,0.0,0.0,0.0,,0.0,,0.0,0.0,,,,,,,,
CCOC(=O)c1s/c(=N\C(=O)c2ccc(Cl)s2)n(C)c1C,CID3460648,,,,,,,,,,,,,,,0.0,,
CCN(CCNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)c1ccccc1,CID5307154,,0.0,,,,,,,,,,,,,,0.0,
Cc1cc(C)n(C(=O)c2ccc(NC(=O)C3COc4ccccc4O3)cc2)n1,CID2969174,0.0,0.0,0.0,0.0,0.0,,,,0.0,0.0,,0.0,0.0,,,,
CCCc1ccc(-c2cc(NC(=O)CSc3nnc(N)s3)n(-c3ccccc3)n2)cc1,CID2083948,,,,,,,,,,,,,,,0.0,,
Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)oc2NCCCN2CCOCC2)cc1,CID2332940,,,,,,,,,,,,,,0.0,,,
O=c1cc(-c2ccccc2)nc2nc(CCc3ccccc3)[nH]n12,CID1263357,0.0,,0.0,0.0,,,,,,,,0.0,0.0,,,,
Cc1ccc(C(CCN(Cc2ccccc2)C(=O)c2ccco2)c2ccco2)cc1,CID3833044,,,,,,,,,,,,,,,0.0,,
[O-]C1=N/[N+](=C/c2ccc(Cl)c(Cl)c2)CC1,CID5918495,,,,,,,,,,,,0.0,,,,,
COc1cc(C(=O)NCc2cccc3ccccc23)cc(OC)c1OC,CID1043433,,,,,,0.0,,,,,,,,,,,
O=C(NCc1cccs1)c1cc2c(s1)CS(=O)(=O)C2,CID3238829,,,,,0.0,,,,0.0,0.0,,,,,0.0,,
O=C(Nc1ccccc1)C(Cc1ccccc1)NC(=O)C12CC3CC(CC(C3)C1)C2,CID2982669,,,,,,,,,,,,,,,0.0,,
COc1ccc(C(=O)/C(=C/N(C)C)S(=O)(=O)c2ccccc2)cc1,CID1483446,,,,,,,,,,,,,,,0.0,,
S=c1[nH]nc(CSCc2ccccc2Cl)n1C1CCCCC1,CID1250614,,,,,,,,,,,,,,0.0,,,
O=C(CCCc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1,CID2907423,,,,,,0.0,,,,,,,,0.0,,,
Cc1ccccc1-n1c(SCc2c(C)noc2C)nnc1-c1cccnc1,CID2483884,,,,,,,,,,,,,,0.0,,,
c1ccc2nc(N3CCCC3)c(N3CCCC3)nc2c1,CID238492,,,0.0,,,,0.0,,,,,0.0,0.0,,0.0,,
CCOC(=O)c1nnn(-c2nc(OC)nc(N(C)C)n2)c1-c1ccccc1,CID1262082,,0.0,,0.0,0.0,,,,0.0,,,,,,,0.0,
CCNc1nc(N2CCCCC2)nc(-n2nnc(C(=O)OCC)c2C)n1,CID1262080,,0.0,,0.0,0.0,,,,,,,,,,,0.0,
Cc1ccccc1NC(=S)N(CCCN1CCCCC1)Cc1ccco1,CID4152519,,,,,,,,,,,,,,0.0,,,
COc1cc(C(=O)OCC(=O)NCc2ccc(F)cc2)cc(NC(=O)c2cccs2)c1OC,CID2098092,,,,,,,,,,,,,,0.0,,,
CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)C12CCC(CC1)C2,CID2324338,0.0,,,,0.0,,,0.0,,0.0,,,,,,,0.0
Cc1nc2cc(-c3ccccc3)ccc2o1,CID112786,,,0.0,,,0.0,,,0.0,,,,,,,,
CC12CC(c3ccccc3O1)C(C(=O)OCc1ccccc1)C(=O)N2,CID648238,,,,,,,0.0,,,0.0,,,,,,,
O=C(Cn1nnc2ccccc2c1=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1,CID2109770,0.0,,,,0.0,,0.0,,0.0,,,,,,,,
O=C(Nc1ccccc1-c1nnn(CC(=O)N2CCN(c3ccccc3)CC2)n1)c1cccs1,CID648232,0.0,,,0.0,,,,,,,0.0,,,,,0.0,
O=S(=O)(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccccc1,CID648231,,,,0.0,,,,,,0.0,,,,0.0,,,0.0
O=C(COC(=O)C1CC(=O)N(Cc2ccco2)C1)c1ccc(OC(=O)c2ccco2)cc1,CID648230,,,0.0,,,,,,,,,,0.0,,,,
CCN1C(=O)N(c2cccc3ccccc23)C(C)=CC1(C)C,CID771473,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C2=C/C(=C3/C=CC=CC3=O)NC(N/N=C/c3cccnc3)=N2)cc1,CID6614531,,,,,,0.0,,,,,,,,0.0,,,
CC(NNC(=S)NC1CCCCC1)=C1C=CC(=O)C=C1,CID6175229,,,,,,,,,,,,,,,0.0,,
CCc1c([O-])n(-c2ccc(Cl)cc2)c2ccc(-c3ccccc3)n[n+]2c1=O,CID1037166,,,,,,,,,,,,,,0.0,,,
CCN1C(=O)CC(N2CCN(c3ccc(C(=O)c4ccncc4)cc3)CC2)C1=O,CID2983783,,,,,,,,,,0.0,,0.0,,,,,
O=C(Cc1ccccc1)Nc1cccc(N2C(=O)C=CC2=O)c1,CID885806,,,,,,,,,,,,,,0.0,,,
Brc1cc2[nH]cnc2c2ccccc12,CID972961,0.0,,,,,,,,,,,0.0,,0.0,,0.0,
O=C(O)c1cc(N2C(=O)C3C4C=CC(C4)C3C2=O)ccc1NCc1cccnc1,CID644694,,,,,,,,,,,0.0,,,,,,
O=C(Nc1ccccc1)NC1(C(=O)NCc2ccc3c(c2)OCO3)CCCCC1,CID644697,0.0,,0.0,,,,,0.0,0.0,,0.0,0.0,,,,,0.0
N#CCn1c(C2CCCCC2)nc2ccccc2c1=O,CID644696,,0.0,0.0,,,,0.0,,,,,,,,,,0.0
Cc1c(/N=C/c2ccco2)c(=O)n(-c2ccccc2)n1C,CID624533,0.0,,0.0,,,0.0,,0.0,,,,,0.0,,,,
COc1cc2c(cc1OC)CN(c1nc(CN3CCCC3)nc3sc(C)c(C)c13)CC2,CID2427877,,,,,,,,,,,,,,,0.0,,
COC(=O)c1ccc(C2Nc3ccc(/C(C)=N/NC(=O)C(OC)c4ccccc4)cc3C3C=CCC32)cc1,CID6799996,,,,,,,,,,,,,,0.0,,,
Cc1onc(-c2ccccc2)c1C(=O)Nc1nnc(-c2ccncc2)s1,CID1247272,0.0,,,,0.0,,,,,,0.0,,0.0,,,0.0,
Cc1cc(CNC(=O)c2cc(Br)ccc2Cl)nn1C,CID1247277,0.0,,,,,,0.0,,,,0.0,,,,,0.0,0.0
CCC1(CC)C(=O)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)C1=O,CID1380835,,,,,,0.0,,,0.0,,0.0,,,0.0,,,
O=C(NCc1ccc2c(c1)OCO2)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1,CID649589,0.0,,,,,,,,,,,0.0,0.0,,,0.0,0.0
N#Cc1c(N)oc(-c2ccc3c(c2)OCO3)c1-c1ccc2c(c1)OCO2,CID649581,,,0.0,,,,,,,,,,,,,,
O=S(=O)(NCC1OCCc2ccccc21)c1ccc(S(=O)(=O)N2CCOCC2)cc1,CID649657,,,,,0.0,,,,0.0,0.0,,,0.0,,,0.0,
CC(=O)C1=C(C)NC(SCSc2ccccc2)=C(C#N)C1c1cccnc1,CID2862270,,0.0,,,0.0,,0.0,,0.0,,0.0,,,,,,
CC(=O)Oc1ccc(C(c2ccc(OC(C)=O)cc2)c2ccccn2)cc1,CID2391,0.0,,,,,,0.0,,,,,,,,,,
Fc1ccc(-c2nnc(SCc3ncc(-c4ccccc4)o3)n2CC2CCCO2)cc1,CID2999779,,,,,,,,,,,,,0.0,,,,
c1cc2c(cc1-c1cnc3n1CCC3)OCCO2,CID2999774,,,0.0,,,,,,,,,0.0,,,,0.0,
Nn1c(SCc2cn3ccsc3n2)nnc1-c1ccncc1,CID2999775,,0.0,,,,,,,,,,,,,,0.0,
Cc1cc(NC(=O)COC(=O)c2cc3c(s2)CCC(C)C3)no1,CID2999770,,,,0.0,,,0.0,,0.0,,0.0,,,,,,
O=C(COC(=O)c1cncc(Br)c1)NCC1CCCO1,CID2999772,0.0,,,,,,,,0.0,,,0.0,,,,,
CC1(C)CC(=O)C=C(NC2CCS(=O)(=O)C2)C1,CID2999773,,0.0,,,,,,,0.0,,,0.0,0.0,,,,0.0
O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1ccc(C(=O)N2CCCCC2)cc1,CID1152638,,,,,0.0,,,,,,,,0.0,,,,0.0
O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1ccc2c(c1)CCC2,CID1152634,0.0,,,,0.0,,,0.0,,0.0,,,0.0,,,,
O=C(NNC(=S)NC1CCCCC1)c1ccc2c(c1)OCO2,CID2373095,,,,,,,,,,,,,,0.0,,,
O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)NCc3ccccn3)c21,CID3239289,,,,,,,,,0.0,,,,,0.0,,0.0,0.0
CCOC(=O)N1CCC(NC(=O)c2ccc(OC)c(CN3CC(=O)N4CCCC4C3=O)c2)CC1,CID3239287,,,,,,,,,0.0,,,,0.0,,,,0.0
CC1(C)OC(=O)N(Cc2ccco2)C1(C)O,CID3239282,,,,,,0.0,,,,0.0,,,,,,0.0,0.0
CCc1ccc(S(=O)(=O)NCCc2csc(-c3ccccc3)n2)s1,CID3239280,,,,,0.0,,,,0.0,,0.0,,,,,,
Cn1c(C(=O)N(Cc2ccccc2)Cc2ccccn2)cc2sccc21,CID651232,0.0,,,,0.0,,,0.0,,0.0,0.0,,,,,0.0,
CC1(C)CN=C(Nc2nc3ccccc3s2)S1,CID935025,,,0.0,,0.0,,,,,,,,0.0,,,,
COc1ccc(CC(=O)NC2C3CC4CC(C3)CC2C4)cc1OC,CID874758,,,,,,0.0,,,,,,,,,,,
COc1ccc(-c2csc(NC(=O)CCn3cnc4ccccc4c3=O)n2)cc1OC,CID1009418,,,,,,0.0,,,,,,,,,,,
CN1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1,CID2827468,,,,,,,,,,,,0.0,,,0.0,,0.0
Cc1nc(NC(=O)C23CC4CC(CC(C4)C2)C3)sc1Cc1ccc2c(c1)OCO2,CID4839303,,,,,,,,,,,,,,,0.0,,
CN1CCN(C(=O)c2ccc3c(=O)n(Cc4ccco4)c(=S)[nH]c3c2)CC1,CID3537566,,,,,,0.0,,,,,,,,,,,
CN1C(=O)C(CC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)N(C)C1=O,CID2965197,,,0.0,0.0,0.0,,,,0.0,,,0.0,,,0.0,,0.0
O=c1cccc(-c2ccc(Br)cc2)o1,CID747845,0.0,,,,,,,,0.0,,,,,,,,0.0
O=C(NCCC1=CCCCC1)c1cnsn1,CID735173,,0.0,,0.0,,,,,,,,,,,,,0.0
Cc1cc(C)c(NC(=O)C(C)SCC(=O)Nc2ccc3ccccc3c2)c(C)c1,CID3453632,,,,,,0.0,,,,,,,,,,,
CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(C#N)cc1)n2C1CCCC1,CID2998815,0.0,,0.0,,,,,0.0,,,,0.0,,,,0.0,
Cc1ccccc1Nc1nc(N)nc(CN2C(=O)NC3(CCCCC3C)C2=O)n1,CID2998810,,,0.0,,,,,,,,0.0,,,,,,
O=C(OC1CCOC1=O)c1cncc(Br)c1,CID2998811,0.0,,,,,,,,0.0,,,,,,,,0.0
Cc1[nH]c2ccc(-c3nnc(SCC(=O)NCc4ccco4)n3Cc3ccccc3)cc2c1C,CID3238533,,,0.0,,,,,,,,,,,0.0,,0.0,
CCOC(=O)C1CCN(C(=O)c2ccc(NC(=O)C3CCCO3)cc2)CC1,CID3238537,,,0.0,,,,0.0,,,,,,,,,,
COc1ccc(C(=O)N(CCCO)C(C)C(=O)NC2CCCCC2)cc1OC,CID654568,,,0.0,,,,0.0,0.0,0.0,,,0.0,0.0,,,,
Cn1c(Cn2cnc3ccccc32)nnc1SCc1ccccc1,CID654567,0.0,0.0,,0.0,0.0,,,,,,0.0,,0.0,,,0.0,
CC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCN(Cc3ccccc3)C2)cc1,CID654561,,,,,0.0,0.0,,,,,0.0,,,,,,
CCOC(=O)Cc1csc(NC(=O)CCS(=O)(=O)Cc2ccccc2)n1,CID2229763,,,,,0.0,,0.0,,,0.0,,,,,,0.0,
COc1ccc(C2C/C(=N\O)C(C)(C)O2)cc1,CID2833958,,,,,,0.0,,0.0,0.0,0.0,,,0.0,,,,0.0
Cc1cccc(N2CCN(C(=O)Cn3sc4nc(C)cc(C)c4c3=O)CC2C)c1,CID5309798,0.0,,,,,,,,,,,,,,,,
Cc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)Nc2nccs2)C1,CID5309799,,,,0.0,,,,,,,,,,,,,0.0
CN(C)CCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)CCS2,CID5309791,0.0,,,,,,0.0,,,0.0,,,,,,,
CN1CCN(CCCNC(=O)c2ccc3c(c2)N(Cc2ccccc2)CCS3)CC1,CID5309796,0.0,,,,,0.0,,,,0.0,,,0.0,,,,
Cc1ccc(N(CC(=O)NC2CCC(C)CC2)S(=O)(=O)c2cccnc2)cc1,CID5309794,,,,,,,,,,,0.0,,,,,,
Cc1nc(COC(=O)c2c(C)nn(-c3ccccc3)c2C)cs1,CID2608898,0.0,,,,0.0,0.0,,0.0,,,,,0.0,,,,0.0
Cc1cc(C)nc(N2CCC(C(=O)NCC3CCCCC3)CC2)n1,CID653492,0.0,,0.0,0.0,,,,,,,,0.0,,,,,
O=S(=O)(c1cccc(S(=O)(=O)N2CCN(c3ncccn3)CC2)c1)N1CCOCC1,CID653496,,,,,,,,,,,,,,,,0.0,0.0
O=C(Cn1nc(-c2ccccc2)ccc1=O)NCC1COCCO1,CID653494,,,0.0,,,,,,,,,,,,,,
COc1ccc2cc(C3(C)NC(=O)N(CC(=O)NCc4ccco4)C3=O)ccc2c1,CID2998767,,,,0.0,,,,,0.0,,,,0.0,,,,
O=C(NC1=NCCS1)C12CC3CC(C1)CC(C(=O)NC1=NCCS1)(C3)C2,CID2964585,,,,,0.0,,,,0.0,0.0,,,,,,,
Cc1noc(NS(=O)(=O)c2ccc(NC(=O)CCC3CCCCC3)cc2)c1C,CID2059808,,,,,,,,,,0.0,0.0,0.0,,,,0.0,0.0
Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1nnc(C2CCCCC2)s1,CID1451519,,,,,,,,,0.0,,,,,,,,
O=C(CN(C(=O)Cn1nnc(-c2cccs2)n1)c1ccc2c(c1)OCCO2)NCc1ccccc1,CID3190183,,,,,,,,,,,0.0,,,,,,
O=C1CC(NCc2ccco2)C(=O)N1CCc1ccccc1,CID2852962,,,,0.0,,,0.0,0.0,,,,,,,0.0,,
CCCOCC1CC2(SC(Nc3ccc(C)cc3)=NC2=O)C(=O)O1,CID2952316,0.0,0.0,,,,,,,,,,,0.0,,,,
c1cncc(-c2nc3cc4ccccc4cc3[nH]2)c1,CID3152015,,,,,,0.0,,,,,,,,,,,
C=C(C)c1ccc(C(C)(C)NC(=O)NCc2ccco2)cc1,CID657494,0.0,,,,0.0,,,,,0.0,,,,,,,
CC12CN3CC(=O)N4CC5(C)CN(CC(C)(C4)C5=O)C(=O)CN(C1)CC(C)(C3)C2=O,CID657490,,,,0.0,,,,,,,,,,,,,
O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)C1CCCO1,CID2953449,,0.0,,,,,,,,,0.0,,,,,,
O=C(Oc1nsnc1N1CCOCC1)N1CCOCC1,CID655946,,,,,,,,,,,,,0.0,,,,0.0
O=C(COc1cccc2ccccc12)NNC(=O)c1cccs1,CID873372,,,,,,0.0,,,,,,,,,,,
Cc1cc(C)c2[nH]c(=O)c(CN(C(=O)C3CCCO3)C3CCCC3)cc2c1,CID655945,,,0.0,0.0,0.0,0.0,,,0.0,0.0,,,,,,,
CC(OC(=O)c1cccnc1SCc1cc(=O)n2ccccc2n1)c1ccccn1,CID4695257,,,,,,0.0,,,,,,,,,,,
O=C(CSc1cccc[n+]1[O-])N1CCCCCC1,CID2342507,,,,,,,,,,,,,,0.0,,,
O=c1[nH]c2cc3c(cc2cc1CN(Cc1nnnn1C1CCCC1)C1CCCC1)OCCO3,CID1464336,,,,,,,,,,,,0.0,,,,,
O=C(CCSc1ccc(Cl)cc1)NN=C1CCCCCC1,CID809297,,,,,,,,,,,,,,0.0,,,
O=C(Nc1cccc2c1CCCC2)c1ccncc1,CID831590,,,,,,,,,,,,0.0,,,,,
O=c1onc2cnc3ccccc3n12,CID1456,,,,,,,,0.0,,,,,,,,,
COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)cc1OC,CID2955698,,,,,0.0,,,,,,0.0,,,,,,
C=CCC1C=CCC(CC=C)N1C(=O)c1ccccc1[N+](=O)[O-],CID591827,,,,,,,,,,,,,,,0.0,,
Cc1nc2c(n1O)CCC/C2=N\O,CID653357,,,0.0,,,,0.0,,,,,,,,,,
Cc1ccc([N+](=O)[O-])cc1/N=C(/c1cccc(Br)c1)N1CCOCC1,CID1049927,,,,,,,,,,,,0.0,,,,,
O=C(NCc1csc(-c2ccccc2)n1)c1ccco1,CID2997523,0.0,,0.0,,0.0,,,0.0,,,0.0,,0.0,,,,
Cc1ccc(NC(=O)c2ccc3nc[nH]c3c2)cc1C,CID732180,,,,,,,,,,,,,,,0.0,,
O=c1/c(=C/c2ccccn2)sc2nc3ccccc3n12,CID722475,,0.0,,,,,0.0,0.0,,0.0,,,0.0,,,,
Cc1cc(C)n(-c2c(F)c(F)c(CN3CCCCC3)c(F)c2F)n1,CID659893,,,,,,,,,0.0,,,,,,,,
Cc1ccc(-c2nnn(CC(=O)N3CCCCC3)n2)o1,CID861128,,,,,,,,,,,,,,,0.0,,
O=C(NCC1CCCO1)c1cccs1,CID531922,,,0.0,,0.0,,,0.0,,,,,0.0,,,,
O=C(Nc1nnc(C2CC2)s1)C1CCCO1,CID2970870,,,,,,,,,,,,,,0.0,,,
N#Cc1cnn(Cc2ccccc2)c1/N=C/N1CCOCC1,CID918488,0.0,0.0,0.0,0.0,,,0.0,,,,,,,,0.0,,
O=C(O)C1=C(OCc2ccccc2)C(=O)NCC1,CID3759703,,,,,,,,,,,,,,,0.0,,
CC(C)Cc1[nH]c(=O)c(C#N)c2c1CCC2,CID661524,,,,,,0.0,0.0,0.0,,,,,,,,,
O=C(Nc1ccc2c(c1)OCO2)Nc1ccc(Br)cn1,CID971442,0.0,,,,,,0.0,,0.0,,,,,,0.0,0.0,0.0
O=C(COC(=O)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1)c1ccc(F)cc1,CID1045319,,,,,,,,,,,,,,,0.0,,
O=c1c(Br)c(NCc2ccccc2)cnn1-c1ccc(F)cc1,CID1479623,,,,,,,,,,,,,,0.0,0.0,,
CCOC(=O)c1c(C2CC2)csc1NC(=O)COC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-],CID3970461,,,,,,,,,,,,,,0.0,,,
COCc1cc(C)nc2sc(C(=O)N3CCN(c4ccccc4)CC3)c(N)c12,CID1093414,,,,0.0,,,,,,,0.0,,,,,,0.0
CC1=C(C(=O)O)N2C(=O)C(NC(=O)c3nn(C)c(C)c3Cl)C2SC1,CID4767279,,,,,,,,,,,,,,0.0,,,
CCCCCn1[nH]c(C)c2c(C)cc(=O)nc1-2,CID1731474,,,,,,,,,,,,,,0.0,,,
O=C(NCC1CCCO1)c1cc(-c2ccncc2)nc2ccc(S(=O)(=O)N3CCOCC3)cc12,CID3235833,,,,,,,0.0,,,0.0,,,,,,0.0,0.0
CC1=C(OC(=O)C(C)(C)C)C(C)(C)C(c2ccccc2)OC1=O,CID545421,,,,,,,,,,,,,,0.0,,,
Cc1ccc2c(c1)N(C(=O)CCC(=O)N1CCc3ccccc3C1)CCO2,CID3235836,,,,,,,,,,,,,0.0,,,,
Cc1cccc(CS(=O)(=O)Cc2ccc(C(=O)NCCN3CCCCC3C)o2)c1,CID3235838,,,0.0,0.0,,,0.0,,,,,,,,,,
CCOC(=O)CC1=CC(=C2C=CC(=O)C=C2)Nc2ccc3ccccc3c21,CID5335570,,,,,,0.0,,,,,,,,,,,
O=C(CSc1nc2ccccc2[nH]1)NCCCn1ccnc1,CID2960269,,0.0,,,,0.0,,0.0,,0.0,,,0.0,,,,0.0
c1ccc(Cc2nnc3sc(C4COc5ccccc5O4)nn23)cc1,CID2960265,0.0,0.0,,,,,,,,,,,,,,0.0,
NC(=O)C1(N2CCCCC2)CCN(C(=O)NC2CCCCC2)CC1,CID3242636,,,,0.0,,,,,0.0,,0.0,,,,,0.0,
C=CCn1c(Cc2cccs2)nnc1SCC(=O)NCc1ccco1,CID2120688,,,,,,0.0,,,0.0,,0.0,,,0.0,,,
COc1nc(OC)nc(N2CCC(C(=O)Nc3cccc4c3CCCC4)CC2)n1,CID645539,0.0,0.0,,,,0.0,0.0,,,,,0.0,0.0,,,,0.0
CCC1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N(Cc2cccs2)C2CC2)cc1,CID645530,,,,,0.0,,,,,,,,,,0.0,,
N#CC1=C2SCC(O)(c3ccccc3)N2C(=O)CC1c1cccs1,CID570206,,,,,0.0,0.0,,,,,,0.0,,0.0,,,
COc1ccc(C(=O)CSC2=C(C#N)C3(CCCCC3)C(C#N)=C(N)N2)cc1,CID660080,,,,,0.0,,,,,,0.0,,,,,,
Cc1cc(C(=O)OCc2nc3ccccc3s2)c(C)o1,CID2999130,,,,,,,0.0,0.0,0.0,0.0,,,,,,,0.0
Cc1cc(NC(=O)Cn2cnc3c(cnn3C(C)(C)C)c2=O)no1,CID3240788,,0.0,,,,,,0.0,,,,,,,,,
OC1CCCCC1Sc1nc2ccccc2s1,CID2942875,,,,,0.0,,,,,0.0,,,,,,0.0,
CCn1cc(C(=O)NCc2ccccn2)c(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc21,CID3240783,,,,,,,,1.0,,,,,,,,0.0,0.0
COc1ccc(S(=O)(=O)CCC(=O)NC2CCCCC2)cc1,CID3240786,,,0.0,0.0,,,,,0.0,,,,,,,0.0,
COc1ccc(-n2nc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c3ccccc3c2=O)cc1,CID3240784,0.0,,,,,,,,0.0,,,,,,,,
CCOc1ccc(NC(=O)COC(=O)CCS(=O)(=O)c2ccc(C)cc2)cc1,CID2126213,,,,,,,,,,,,,,,0.0,,
O=C(CSc1nc2ccccc2s1)N1c2ccccc2Sc2ccc(Cl)cc21,CID1834960,,,,,,,,,,,,,,0.0,,,
COc1n[nH]c2nncnc12,CID5373216,,,0.0,,,,0.0,,,,,,,,,0.0,
Cc1sccc1C1C(C#N)=C(N)SC(N)=C1C#N,CID658074,,,,,,,,,,0.0,,,,,,,
CCOC(=O)C(C(=O)N1CCOCC1)C1CCCCC1,CID2836841,,,,0.0,,,,0.0,,,,,,,,,
O=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)C1CCCO1,CID2961388,0.0,,0.0,,,,,,0.0,,0.0,0.0,,,,,
Cc1cc(C(=O)c2ccccc2)nc2ccccc12,CID899772,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1c(C)n(C)c2ccc(O)c(S(=O)(=O)c3ccccc3)c12,CID660663,,,,,,,,,0.0,0.0,,,,0.0,,0.0,
CC1(C)CC(=O)C2=C(C1)Oc1nc3ccccc3cc1C2C(C#N)C#N,CID660660,,,,,,,0.0,,,,,,,0.0,,,
COc1ccc(C(=O)NC(C)c2nnc(SCC(=O)Nc3nc4ccccc4s3)n2C)cc1,CID2977544,,,0.0,,,,,,0.0,,,0.0,,,,0.0,0.0
O=C(N/N=C/c1cccc(F)c1)c1cc(-c2ccco2)nc2ccccc12,CID1226384,,,,,,0.0,,,,,,1.0,,,,,
O=S(=O)(Nc1nc2ccccc2nc1NCc1ccco1)c1cccs1,CID663416,0.0,0.0,,0.0,0.0,,0.0,,0.0,0.0,0.0,,0.0,,,,
CN1CCC(OC(=O)C23CCC(C)(C(=O)O2)C3(C)C)CC1,CID2942294,,,0.0,0.0,,,,,,0.0,,,,,0.0,0.0,0.0
Cc1ccc(S(=O)(=O)NC2=NCN(C3CCCCC3)CN2)cc1,CID3237352,,,0.0,0.0,,,,,,0.0,,,0.0,,,,
CCOC1=C/C(=C/C(C#N)=C2\NNC(N)=C2C#N)C=CC1=O,CID9549349,,,,,,,,,,,0.0,,,,,,
COc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2=O,CID849509,,,,,,,,,,,,,,0.0,0.0,,
COc1cccc(NC(=O)C(Sc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)c2ccccc2)c1,CID4399710,,,,,,,,,,,,,,0.0,,,
CCc1sc(N(C(=O)Cc2ccccc2)c2ccc(F)cc2)nc1-c1ccccc1,CID1811089,,,,,,,,,,,,,,,0.0,,
Cc1c(C(=O)O)oc2c3c(ccc12)OCCO3,CID745008,,,0.0,,,,,0.0,0.0,,,,,,,,
O=C1N=C(NNc2ccccc2)S/C1=C\c1ccccc1,CID1379923,,,,,,0.0,,,,,,,,,,,
O=C(NCCN1CCN(C(=O)Nc2ccccc2)CC1)Nc1ccccc1,CID2947711,,0.0,,,,,0.0,,,,0.0,0.0,0.0,,,0.0,
C=CCNC(=O)C1CC(=O)N(c2ccc(OCC(=O)NCc3ccccc3)cc2)C1,CID2947713,,,,,,,,0.0,,,,,,,,,0.0
C#CC1(O)CCC2C3CCC4=C(CCC(=O)C4)C3CCC21C,CID6231,,,,,,,,,,,,,,,0.0,,
Cc1c(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4CCCC4)c(F)c32)c(=O)n(-c2ccccc2)n1C,CID658899,,,,,,,0.0,,,,,,,,,,
CN1C(=O)C(=C(NCCN2CCCCC2)c2ccccc2Cl)C(=O)N(C)C1=O,CID5310707,,,,0.0,,,,,,,,,,,,,
CC(C)CC(=O)Nc1ccc(C(=O)COc2ccc(-c3nnco3)cc2)cc1,CID2594878,,,,,0.0,,,,1.0,0.0,0.0,0.0,0.0,,,,
COc1ccc(Nc2cc(C(=O)N3CCc4ccccc4C3)c3ccccc3n2)c(OC)c1,CID6621912,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)NC(=O)N2CCc3ccccc32)cc1,CID332362,,,,,,0.0,,,,,,,,,,,
CSc1nnc(-c2ccco2)c(-c2ccco2)n1,CID3053058,0.0,0.0,,0.0,,,,,,,,,,0.0,,,
c1cc2c(cc1C1=Nn3c(nnc3C3CCCCC3)SC1)OCO2,CID662624,0.0,,,0.0,0.0,,0.0,,,,0.0,,,,,,
CCN(CC)c1cnn(C/C(=N/OC)c2ccc(Cl)cc2)c(=O)c1Br,CID1490427,,,,,,,,,,,,,,0.0,,,
CN(NC(=O)c1ccc(Cl)cc1)c1nc(-c2ccccc2)nnc1C(F)(F)F,CID6413186,,,,,,,,,,,,0.0,,,,,
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccco3)cc2)n1,CID1912922,,,,,,,,,,,,,,,0.0,,
O=C(CSc1ncn(-c2ccccc2)n1)Nc1ccc2c(c1)OCCO2,CID2215525,0.0,0.0,,,0.0,,,,0.0,,,,,,,0.0,
Cc1ccccc1-n1nc2c(c1NC(=O)c1cc3ccccc3oc1=O)CS(=O)C2,CID2160501,,,,0.0,0.0,0.0,,,0.0,,,,,,,0.0,0.0
COc1cc(-c2nnc(SC/C=C/c3ccccc3)n2N)cc(OC)c1OC,CID5919647,,,,,,0.0,,,,,,,,,,,
CC1CN(c2cc(-c3ccccc3)c3ccccc3n2)CC(C)O1,CID3276442,,,,,,0.0,,,,,,,,,,,
CCCc1cc(=O)nc(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)[nH]1,CID2351399,,,,,,,0.0,,,0.0,,,,,,,
O=C(Nc1cccc2ccccc12)c1ccc(-c2cccc([N+](=O)[O-])c2)o1,CID1366474,,,,,,0.0,,,,,,,,,,,
COC(=O)c1ccc(N2CCOCC2)c(NC(=O)Nc2cccc(OC)c2)c1,CID4373353,,,,,,,,0.0,,,,,0.0,,0.0,,
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1nc2ccccc2[nH]1,CID1355281,,0.0,,,,,,,,,,,0.0,,,,
O=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1nc2ccccc2[nH]1,CID4037643,,,,,,,,,,,0.0,,,,,,
COc1ccc(C(=O)C2CCCN(Cc3cn[nH]c3-c3ccccc3)C2)cc1OC,CID16187497,,,,,,,,,,,,,,0.0,,,
O=c1[nH]c2ccccc2nc1-c1cccs1,CID723698,,,,,0.0,,,,,,0.0,,,,,,0.0
CCc1nc(N)c(C#N)c(-c2cccc3ccccc23)c1C,CID883133,,,,,,,,,,0.0,,0.0,,,,,
C=CCNC(=O)c1onc(CSc2cccc3ccccc23)c1C(=O)O,CID11958662,,,,,,0.0,,,,,,,,,,,
Cc1ccc2c(c1)CCCN2C(=O)Nc1ccc2c(c1)OCO2,CID970213,,,,,0.0,,0.0,0.0,,,,,0.0,,,,
O=C(NCN1CCc2ccccc2C1)c1ccccc1,CID652836,0.0,,,0.0,,0.0,0.0,,,,,0.0,0.0,,0.0,,
CN(c1ccc(S(=O)(=O)N2CCOCC2)cn1)C1CCCCC1,CID4884950,,,,,,0.0,,,,,,,,,,,
C=CCn1c(C)cc(C2=NN=C(NC(C)(C)C)SC2)c1C,CID4884956,,,,,,,,,,,,,,,0.0,,
O=C(NCc1ccc2c(c1)OCO2)c1ccc2c(c1)C(=O)N(Cc1cccnc1)C2=O,CID1026398,,,,,,,0.0,0.0,0.0,,,,0.0,,,,
O=C(CN(C(=O)CSc1nnc(COc2ccccc2)o1)c1ccc(F)cc1)NC1CCCC1,CID652838,0.0,,,0.0,0.0,,,,,,,,0.0,,,,
CC(CCc1ccccc1)NC(=O)CN1CCOc2ccccc21,CID4668363,,,,,,,,0.0,,,,,0.0,,,,
O=C(O)CCn1c(-c2ccccc2)cc2c1CCCC2=O,CID696645,,0.0,0.0,,,,,,0.0,,0.0,,,0.0,,,
Cc1ccc(-c2nnc(SCC(=O)N3c4ccccc4NC(=O)C3(C)C)n2N)cc1,CID2529878,,,,,0.0,,,,,0.0,,,,,,0.0,
N#C/C(=C\c1ccc(-c2ccccc2F)o1)c1nn(-c2ccccc2)c(N)c1C#N,CID5290885,,,,,,0.0,,,,,,,,,,,
COc1cc(/C=C/C(=O)C2C(=O)C=C(C)OC2=O)cc(OC)c1O,CID15945133,,,,,,,,,,,,,,0.0,,,
NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)C2CCCN2C(=O)c2cccs2)cc1,CID2998134,,,,,0.0,,,,,,,,,,,,
CC(CN1CCCCC1)OC(=O)Cc1ccc(Cl)cc1,CID646165,0.0,,0.0,0.0,,,,,,0.0,,,,,,0.0,0.0
O=c1[nH]c(=O)n(Cc2ccco2)c2c1C(C(F)(F)F)(C(F)(F)F)N=C(Cc1ccccc1)N2,CID1391813,,,,,,,,,0.0,,,,,,,,
CCOC(=O)c1cc(Br)c(=O)n2ccccc12,CID824727,,,,,,,,,,,,0.0,,,,,
O=C(CSc1nnc(-c2cccnc2)o1)c1cc2ccccc2oc1=O,CID1282089,,,,0.0,,,0.0,,,,,,,,,,0.0
Cc1cc(C(=O)OCC(=O)Nc2cc(C)on2)c2ccccc2n1,CID2101583,,,,,,,,,0.0,,,,,,,,
O=C(COC(=O)c1ccccn1)Nc1ccc2c(c1)OCO2,CID1088688,,,,,,,,,,,,,,,0.0,,
Cc1ccc(-c2noc(CN(C(=O)CCN3C(=O)c4ccccc4C3=O)C(C)C)n2)cc1,CID1301247,0.0,0.0,,,,,0.0,,,0.0,0.0,,,,,,
O=c1c2c(nc(NCCO)n1CC1CCCCC1)-c1ccccc1CC21CCCC1,CID1908649,,,,,,,,,,,,0.0,,,,,
Cc1ccccc1Nc1nc(N)nc(CN(C)c2ccccc2)n1,CID2608348,,0.0,0.0,,,,0.0,,,0.0,,,,,,,
O=C(Oc1ccc2c(c1)OCO2)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1,CID1310349,,,,,,,0.0,,0.0,,,,,,,,
CC(C)(C)c1cc(C(=O)NCc2cccnc2)ccn1,CID826930,,,0.0,,,0.0,0.0,,,,,,,,,,
Cc1sc2ncnc(SCC(=O)N3CCC(c4noc5ccc(F)cc45)CC3)c2c1C,CID1179317,,,,,,,,,,,0.0,,,,,,
Cc1ccc(-c2noc(CN(C(=O)CCCCCN3C(=O)c4ccccc4C3=O)C(C)C)n2)cc1,CID2233957,,,,,,,,,,,,0.0,,,,,
O=C(OCCOc1ccccc1Cl)c1ccc(-n2cnnn2)cc1,CID2570767,,,,,,,0.0,,,0.0,,,,,,0.0,0.0
CCN1CCCC1CNC1=NCCCCC1,CID2998348,,,,0.0,,0.0,,0.0,,,,,,,,0.0,
O=C(CCC(=O)c1ccc(F)cc1)OC1CCOC1=O,CID2998349,,,,,,,,,,,0.0,,,,,,
COCc1c(C(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)oc2ccccc12,CID2570762,,,,,,,0.0,,0.0,0.0,,,,,,,
CCOC(=O)C1CCN(C(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)CC1,CID2998342,,,0.0,,,,,,,0.0,,,,,,,
O=C(c1nn(Cc2ccccc2)c(=O)c2ccccc12)N1CCN(c2ccccn2)CC1,CID2998341,0.0,,,,,0.0,,,,,,,,,,,
O=C(COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)NCCN1C(=O)CSC1=O,CID2998344,0.0,,,,0.0,,,,,,,,,,,,0.0
Cn1c(-c2ccc(F)cc2)cnc1SCC(=O)Nc1ccccc1N1CCOCC1,CID647688,0.0,,,0.0,,,,,,0.0,,,,,,,
Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCC(=O)Nc1ccccc1SCC#N,CID2571013,0.0,,0.0,,,,,,,,0.0,,,,,,
Cc1ccc(C(C(=O)NCc2ccc(F)cc2)N(C(=O)c2csnn2)C2CC2)o1,CID647682,0.0,0.0,,,0.0,,,,,,,,0.0,,,,
O=S(=O)(CCSc1ccccn1)c1nc2ccccc2s1,CID972882,,,,,0.0,,,,0.0,,,,,,,,
O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc([N+](=O)[O-])cc1Br,CID4622093,,,,,,,,,,,,,,,0.0,,
COc1ccc2oc(=O)c(-c3nc(C)cs3)cc2c1,CID657928,,0.0,0.0,0.0,,,,0.0,0.0,0.0,,,,0.0,,,0.0
O=C(OCC(=O)N(C1CCCCC1)C1CCCCC1)c1cnccn1,CID2427932,,,0.0,,,,,,,,,,,,,,
CC1=C(C(=O)OCC2CCCO2)C(c2ccccc2OC(C)C)C2=C(CC(c3ccco3)CC2=O)N1,CID2949254,,,0.0,,,,,0.0,,,,,,,,,
Cc1ccc(-c2noc(C3CCN(S(C)(=O)=O)CC3)n2)o1,CID648794,,,,0.0,,,,0.0,,,,,,,,,
CCC(OC(=O)CC1Sc2ccccc2NC1=O)C(=O)NCC1CCCO1,CID648790,,0.0,,,,,0.0,,,,,,0.0,,,,
O=C(NC1CCCCC1)c1ccc(S(=O)(=O)NCc2cccnc2)cc1,CID648798,0.0,0.0,,,0.0,,,,,,,,,,,0.0,
Cc1ccc2nc(N3CCN(Cc4ccc(F)cc4)C3=O)c(C)cc2c1,CID648799,,0.0,,,,0.0,,0.0,,,,,,,,,
CC1(C)Cc2ccccc2C(NNC(=O)c2ccccn2)=N1,CID867955,,,,,,,,,0.0,,,0.0,,,,,
COc1ccc2c(c1)nc(SCC(O)c1ccccc1)n2C,CID2859526,,,,,,,,,,,,,,0.0,,,
CCCN1C2CCCC1CC(NC(=O)NC1CCCCC1)C2,CID653913,,0.0,,,,,,0.0,,,,,,,,0.0,
O=C(CN1CCCCC1)Nc1cccc(-n2cnnn2)c1,CID653916,,0.0,,0.0,,,0.0,,,,,,,,,,
CC1=[N+]([O-])C(N2CCOCC2)C(O)(c2ccccc2)C1,CID653919,,0.0,,0.0,,,,,,0.0,,,,,,,
Cc1ccc(OCC(=O)Nc2ccc(CN3CCCCC3)cc2)c(C)c1,CID2197251,,,,,,,,,,,,,,,0.0,,
COc1cc2c(cc1OC)-c1nnc(C)n1C1(CCCC1)C2,CID765461,,,0.0,,,,,,,0.0,,,,,,,
N#Cc1nc(COc2cccc(Cl)c2)oc1NCc1ccncc1,CID976467,0.0,0.0,,0.0,,,,,,,,,0.0,,0.0,,
CCCC(=O)NC1=NC2=NC(=O)CC(c3ccccc3)N2N1,CID5985713,,,,,,0.0,,,,0.0,,,,,,,
Cc1ccc(-c2c(C(=O)NCc3ccc(F)cc3)oc(=O)c3ccccc23)cc1,CID12005275,,,,,,,,,,,,,,,0.0,,
Cn1c(N)c(C(=O)COC(=O)CC2CC3CCC2C3)c(=O)n(C)c1=O,CID16195917,,,,,,,,,,,,,,0.0,,,
Cc1cc(C(=O)NCc2cccs2)cs1,CID1247750,,,0.0,,,,0.0,,0.0,,,,0.0,,,,
O=C(c1cc2ccccc2oc1=O)N1CCC2(CC1)OCCO2,CID1247756,,,,,,,,0.0,,,,,0.0,,0.0,,
O=C(c1cnn2c(C(F)F)cc(C3CC3)nc12)N1CCOCC1,CID2165688,,,,,,,,,,,,,0.0,,,,
COc1ccc(C(=O)N(Cc2ccco2)C(C(=O)NC2CCCC2)c2ccc(O)cc2)cc1OC,CID649047,,,0.0,,,,,,,,,,,0.0,,,
O=C(CSc1nnc(-c2cccnc2)o1)OC1CCCCC1,CID649045,,0.0,,0.0,0.0,,,,,0.0,,,0.0,0.0,,0.0,
O=c1oc2ccccc2c(N2CCCCC2)c1CN1CCCCC1,CID649044,0.0,,,0.0,,,,,,,,,0.0,,,,0.0
Cn1c(C(=O)NCc2ccc3c(c2)OCO3)cc2sccc21,CID649041,0.0,,0.0,,0.0,,0.0,0.0,,,,,,,,,
COc1cc2c(cc1NC(=O)c1cccnc1)CCCC2,CID649049,,0.0,,,0.0,0.0,,0.0,,0.0,,,,0.0,,0.0,0.0
CCOC(=O)/C(C#N)=C1/C(=O)N(Cc2ccccc2)c2ccccc21,CID680344,,,,,,,,,,,,,,0.0,,,
COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCCOc1ccc(C)cc1,CID2286130,,,,,,0.0,,,,,,,,,,,
CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2ccccn2)c1,CID2494801,,,,,,,,,,,,,,,0.0,,
CC12CCC(C(=O)Nc3cccnc3)(CC1=O)C2(C)C,CID2950633,,0.0,,,,,0.0,,,0.0,,0.0,,,,,
O=NC1=C2NON=C2CC(O)C1,CID5374165,,,,,,,,,,0.0,,,,,,,
O=C1C=C(NCc2cccnc2)C=C/C1=C1\Nc2ccccc2O1,CID5378885,,0.0,,,,,,,,,,,,,,,
Cc1cc(NC(=O)CSc2nncn2N)no1,CID1373916,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)c1cc2ccccc2o1,CID2236635,0.0,,,,,,,,,,,0.0,,,,,0.0
COCCn1c(SCC(=O)N2CCCC2)nnc1-c1ccoc1C,CID655518,,,0.0,,,,,,,,,0.0,,,,,0.0
CCOC(=O)c1cnc(SC2CCc3ccccc3C2=O)nc1N,CID655515,,,,,,,,,0.0,,0.0,,0.0,0.0,,0.0,
O=C(Cn1cc(C(=S)N2CCOCC2)c2ccccc21)N1CCOCC1,CID1306168,,,,0.0,,,0.0,,,,,,,,,,
CC/N=C1/S/C(=C\c2cc(OCC)c(O)cc2Br)C(=O)N1CC,CID1778303,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=S)NC(=O)c1ccc(F)cc1,CID2411948,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=S)NC(=O)c1cccs1,CID2411949,,,,,,,,,,,,,,,0.0,,
Nc1nonc1C(=O)NCCNC(=O)c1cccs1,CID2228369,,,,,,,0.0,,,,,,,,,,
COc1ccc(NC(=O)CC2C(=O)N(c3ccc(OC)cc3)C(=O)N2CCc2cccs2)cc1,CID4917814,,,,,,,,,,,,,,0.0,,,
O=C(Cn1ncc2c1-c1ccccc1OC2)N(Cc1ccco1)C1CCCCC1,CID5307406,0.0,0.0,,,,,,0.0,,,,,,,,,
CCOC(=O)N1CCC(NC(=O)COc2cc(=O)n(C)c3ccccc23)CC1,CID5307402,,,,0.0,,,,,0.0,,,0.0,,,,,
Cc1nc2ccccc2c2oc(C(=O)NCCCN3CCC(C)CC3)cc12,CID5307409,,,0.0,0.0,,0.0,,,,,,,,,,,
Cc1nc(NC(=O)C2CC2)sc1C(=O)N1CCCCC1,CID654647,0.0,,,0.0,0.0,,,0.0,,0.0,,,,,,,0.0
CCC(C)(C)n1nnnc1C(c1cccs1)N1CCN(Cc2ccccc2)CC1,CID654645,0.0,,,,0.0,,,,,,0.0,,,,,0.0,
Cc1ccc(C2Nc3ccccc3NC3=C2C(=O)OC(C)C3)cc1,CID3373332,,,,,,,,,,,,,,0.0,,,
CCOc1ccc(NC2=NC(C(=O)NCc3ccccc3)CC(=O)N2)cc1,CID2952291,,,,,,,,0.0,0.0,,,,0.0,,,,
CC(C)(C)n1nc2c(c1NC(=O)Cc1cccs1)CSC2,CID3677366,0.0,,0.0,,0.0,,,,,,0.0,,,,,0.0,
S=c1[nH]nc(-c2ccncc2)n1Cc1ccco1,CID758295,,0.0,,,,,,,,0.0,,,0.0,,,,
CCn1c(SCC(N)=O)nnc1-c1ccc2[nH]c(C)c(C)c2c1,CID758292,,,,,,,,,,,0.0,0.0,0.0,,,0.0,
COc1cc(NC(=O)c2csc3c2CCCC3)ncn1,CID3237573,,0.0,,,,,,0.0,,,,,,,,0.0,0.0
COC(=O)C1=C(C)NC(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccc(C)cc2)o1,CID1002096,,,,,,,,,,,,,,0.0,,,
O=C1C(c2ccncc2)N(CCC2=CCCCC2)C(=O)CN1C1CCCCC1,CID3241930,,0.0,,,0.0,0.0,,0.0,0.0,,,,0.0,,,,
Cc1oc(-c2ccccc2F)nc1CS(=O)(=O)CC(=O)NCc1ccco1,CID5309051,,,0.0,,,,0.0,0.0,,,0.0,,,,0.0,0.0,0.0
O=C(C1CCCN1S(=O)(=O)c1cccc2cccnc12)N1CCN(c2ccccc2)CC1,CID5309053,,,0.0,,,,,0.0,,,,,,,,,
CCn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21,CID5309052,0.0,,,0.0,,,,,,,,,,,,,0.0
O=C(c1cc2c(s1)-c1ccccc1OC2)N1CCN(c2ccccn2)CC1,CID5309057,0.0,,,,,0.0,,,,0.0,0.0,,,,,0.0,
CCOC(=O)CN1CC23C=CC(O2)C(C(=O)Nc2ccc4c(c2)OCO4)C3C1=O,CID5309056,,,0.0,,,,,,,,0.0,,,,,,
O=C(NCc1ccco1)c1cc(-c2ccccc2)nc2ccccc12,CID2188237,,,,,,,,,0.0,,0.0,,,,,,
CC(NC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc2c(c1)OCO2,CID2955716,,,,,,,,,,,,,,,0.0,,
O=C1c2ccccc2C(=O)c2c1cccc2N1CCCC1,CID2890949,,,,,,,,,,,,,,0.0,,,
Cc1ccc2c(c1)cc1c(=O)[nH]ncn12,CID940689,,,,,,0.0,,,,,,,,,,,
O=C(CCN1CCCCC1c1cccnc1)NCc1ccccc1,CID2964838,,,,,,,,,,,,0.0,,,,,0.0
CCCCNC(=O)CSc1nc(=O)cc(O)n1C1CCCC1,CID2566681,,,,,,,,,,,,,,0.0,,,
COc1ccc(/C=C2\CCCC3C2=NN(C(=O)c2ccco2)C3c2ccc(OC)c(OC)c2)cc1OC,CID5343290,,,,,,,,,,,,,,0.0,,,
O=C1CC(N2CCC(c3nc4ccccc4[nH]3)CC2)C(=O)N1Cc1ccccc1,CID2961811,,,0.0,,,,,0.0,,0.0,,0.0,0.0,,,,
COc1ccc(NC(=O)C(=O)N/N=C/c2cccnc2)c(OC)c1,CID2254717,,,,,,0.0,,,,,,,,,,,
N#CCSc1nc2c(c(=O)n1Cc1ccccc1)C1(CCCC1)Cc1ccccc1-2,CID1620764,,,,,,,,,,,0.0,0.0,,,,,
O=c1c2ccccc2nnn1Cc1cccc2ccccc12,CID2479287,,,,,,,,,,,,,,0.0,0.0,,
COc1ccccc1NC(=O)Nc1nnc(-c2ccco2)s1,CID948450,,,,,,0.0,,,,,,0.0,,,,,
COc1ccc(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1OC,CID1257771,,,0.0,,,,,,,,,,,,,0.0,
CC1(C)CC(=O)C=C(NCc2cccs2)C1,CID2841559,,,,0.0,0.0,,0.0,,,,,,,0.0,,,
COc1cc2c(cc1OC)C1=C(C#N)CN(CC(=O)O)CN1CC2,CID3154106,,,,,,,,0.0,,,,,,,,,
O=C(O)c1ccccc1C(=O)NCC(O)COCC1CC=CCC1,CID2914119,,,,,,0.0,0.0,0.0,,,0.0,,,,,,
COC(=O)C1=C(CSc2nc3ccccc3o2)NC(=O)NC1c1cc(C)ccc1C,CID2978907,,,0.0,,0.0,,,,,,,,0.0,,,,
CC1=C(C(=O)Nc2ccccc2)C(c2ccncc2)C(C#N)=C(SCC(=O)Nc2ccccc2)N1,CID2835622,,,,,,,,,,0.0,,,,,,,
O=C1OCc2cccc3cccc1c23,CID223824,,,,,,0.0,,,,,,,,,0.0,,
Cc1cc(C(=O)NCCCN2CC(C)CC(C)C2)n(-c2ccccc2)n1,CID9550780,,,,,,0.0,,,,,,0.0,,,,,
COc1cccc(-c2nc(CS(=O)(=O)CC(=O)NC3CCCc4ccccc43)c(C)o2)c1,CID9550784,,,,,,0.0,,,,,0.0,,,,,,
CC1(C)Cc2c(sc3nc(-c4cc5ccccc5o4)n(N)c(=O)c23)CO1,CID1299520,,,0.0,,0.0,,,0.0,0.0,,0.0,,,,,,
O=C(CCCCCn1c(=S)[nH]c2ccccc2c1=O)N1CCC2(CC1)OCCO2,CID3236088,,,,,,,,0.0,0.0,0.0,0.0,,,,,,0.0
O=C(CCn1c(=O)c2ccccc2n(CC(=O)NCCC2=CCCCC2)c1=O)NCc1ccco1,CID3242228,,0.0,,,,,0.0,,,,,,,,,,
COc1ccc(N2CCN(CCNC(=O)CCNS(=O)(=O)c3cccs3)CC2)cc1,CID3242229,,0.0,,,,,,,0.0,0.0,,,,,,,
O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cc(C(=O)N2CCOCC2)ccc1N1CCCCC1,CID3236081,0.0,,,,,,,,,,,,0.0,,,,
COc1ccc(N2CCN(CCNC(=O)C3CC(=O)N(C4CCCC4)C3)CC2)cc1,CID3236082,0.0,,,,,,,0.0,,,,,,,,,0.0
CCOC(=O)c1c(Nc2nc(C)c(C(=O)NC)s2)sc(C)c1C,CID2371846,0.0,0.0,,,0.0,,0.0,,,,0.0,,,,,,
c1ccc2cc(OCCN3CCCC3)ccc2c1,CID867370,,,,,,0.0,,,,0.0,,0.0,,,,,
O=C(COc1ccccc1Cl)c1ccc2c(c1)CCCC2,CID977926,,,,,,,,,,,,,,0.0,,,
CC1(C)CC2CC(C)(CN2C(=O)C23CCC(C)(C(=O)O2)C3(C)C)C1,CID2921788,,,,,,,,,,,,0.0,,,,,
O=C(CCC(=O)c1cccs1)c1cccs1,CID151814,,,,,,,,,,,0.0,,,,,,
COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)C1,CID741366,,,,,,,,0.0,,,,,0.0,,,,
O=C(c1cc2ccccc2o1)n1nnc2ccccc21,CID2365243,,0.0,0.0,,,,,,,,,,0.0,0.0,,,0.0
CCCc1nnc(NC(=O)CNc2ccc(F)cc2)s1,CID1361150,0.0,0.0,,,,,,0.0,,0.0,,,,,,0.0,
O=NC1=C(N=O)C2=C(CC1)NON2,CID5374863,,,,0.0,,,,,,,,,,0.0,,,
COc1ccc(CCN2C(=O)CC(N3CCN(c4ccccn4)CC3)C2=O)cc1OC,CID2882766,0.0,,,,,,,0.0,0.0,,,0.0,,0.0,,,0.0
O=C(NCC(c1cccnc1)N1CCOCC1)c1ccco1,CID3241753,,0.0,,,,,,,,,,,0.0,,,,
Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccccn2)CC1,CID3241752,,,0.0,,,,,0.0,,,,,0.0,,,0.0,
COc1ccc2c(c1OC)C(=O)N1C(C(=O)O)Cc3c([nH]c4ccccc34)C21,CID2828336,,,0.0,,,,,0.0,0.0,,,,,,,,
N#Cc1c(NC(=O)CCN2C(=O)c3ccccc3C2=O)oc(-c2ccccc2)c1-c1ccccc1,CID2266566,,0.0,,,,0.0,,,,,,0.0,0.0,,,,
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCC1)n2CCCSc1nnnn1-c1ccccc1,CID3463914,,,,,,,,,,,,,,,0.0,,
O=C(Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1ccccc1[N+](=O)[O-],CID1191391,,,,,,,,,,,,,,,0.0,,
CC1(C)Cc2nc3sc4c(SCC(=O)NCc5ccco5)ncnc4c3cc2CO1,CID1258413,,,,,0.0,,,,,0.0,,,,,,0.0,0.0
O=S(=O)(Cc1ccccc1)N1CCC(N2CCN(c3ccccc3)CC2)CC1,CID1333561,0.0,0.0,0.0,,,,,0.0,,,,,,,,,0.0
Cc1ccccc1C(=O)c1c[nH]c(C(=O)NCc2cccs2)c1,CID1489229,,,,,,0.0,,,,,,0.0,,,,,
CS(=O)(=O)N1CCN(C(=O)C2c3ccccc3Oc3ccccc32)CC1,CID1245208,,,,,,,,,,,,,,,,0.0,
CC(=O)/C(=N\Nc1ccccc1)Sc1nncn1C,CID575670,,,,,,,,,,,,,,0.0,,,
Cc1nnc(SCC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)n1N,CID1639652,,0.0,,,0.0,,,,0.0,0.0,,,,,,,
COC(=O)c1sc2nc(CN3CCOCC3)nc(N3CCOCC3)c2c1C,CID2436023,,,,,,,,0.0,,,0.0,,,,,,0.0
Cc1cc(N2CCOCC2)ccc1/C=C1\NC(=O)N(CC(=O)Nc2ccccc2C)C1=O,CID1770084,,,,,,,,,,,,0.0,,,,,
Cc1ccc(Oc2ccc(/C=N/OCc3ccc(Cl)cc3Cl)cn2)cc1,CID5193458,,,,,,,,,,,,0.0,,,,,
CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCc3ccccc32)Cc2ccco2)cc1,CID2086440,,0.0,,,0.0,0.0,,,,,,,,,,,0.0
O=C(Cc1cc(=O)[nH]c(=O)[nH]1)N1CCC(Cc2ccccc2)CC1,CID2149949,,0.0,,,,,,,,,,,,,0.0,,
Cc1nn(C(=O)c2ccc3c(c2)OCO3)c(N)c1-c1ccccc1,CID712995,,0.0,,0.0,,,,,,,0.0,0.0,0.0,,,,
Nc1nnc2c(n1)CCCC2,CID591407,,0.0,,0.0,,,,,,,,,0.0,,,,
CCOC(=O)C(C(=O)Nc1nccs1)C1CCCCC1,CID2877903,,,,,,,,,0.0,,,,,,,,
O=[N+]([O-])c1ccccc1CN1CCN(Cc2ccccn2)CC1,CID2902952,,,,,,,,,,,,,,,0.0,,
O=C(CC1Nc2ccccc2NC1=O)c1ccccc1,CID2878669,0.0,0.0,,0.0,,,,0.0,,0.0,,0.0,,,,,
Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)NCc1ccccn1,CID1257653,,,,,,,,,0.0,,,,,,,,
Cc1c(N2C(=O)/C(=C\C3CC=CCC3)SC2=S)c(=O)n(-c2ccccc2)n1C,CID5758845,,,,,,,,,,,,,,,0.0,,
CCCn1c(O)c(C(=O)Nc2nc3ccccc3s2)c(=O)c2c1CCCC2,CID1153510,,,,,,,,,,,,,,0.0,,,
CC12CC3(C)CC(C)(C1)CC(NC(=O)N1CCCC1)(C2)C3,CID2928840,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1oc2cccc(O)c2c1CN(Cc1ccccc1)C(C)=O,CID1069130,0.0,,,,,,0.0,,,,,,0.0,,0.0,,0.0
O=C(Nc1nnc(-c2cccs2)o1)c1cccc(Oc2ccccc2)c1,CID2104499,0.0,,0.0,,0.0,,,,,,,,,,,,
Cc1cc(S(=O)(=O)NCC(c2ccccc2)c2ccccc2)ccc1-n1cnnn1,CID3202148,,,,,,,,,,,0.0,,,,,,
N/C(=N\OC(=O)c1cccc2ccccc12)c1ccc(Br)cc1,CID9660641,,,,,,,,,,,,,,,0.0,,
O=C1NC(=O)C(CCc2ccncc2)(Cc2ccc3c(c2)OCO3)C(=O)N1CCc1ccccc1,CID2947695,,,,,,,,,0.0,,0.0,0.0,,,,,
Cc1cc(N2C(=O)CC(N3CCC(n4c(=O)[nH]c5ccccc54)CC3)C2=O)no1,CID2984271,,0.0,,,,,0.0,,,,,,,0.0,,,
O=C(CC(Sc1n[nH]c(-c2ccccc2)n1)c1ccccc1)NCc1ccccc1,CID2984275,,,,,,,,,,,,,,0.0,0.0,,
CC(=O)c1cc(C)ccc1OC(=O)c1cccc2nc(C)oc12,CID778164,,,,,,,0.0,,,,,,,,0.0,,
O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NCc1cccnc1,CID2524633,,,,0.0,,,0.0,,,,,,,,0.0,,
Cc1ccc(S(=O)(=O)N2CCN(c3nc(C)nc4sc5c(c34)CCC(C)C5)CC2)cc1,CID3193029,,,,,,0.0,,,,,,,,,,,
Cc1occc1C(=O)N1CCN(Cc2ccccc2)CC1,CID716180,,,,,,,,,,,,0.0,,,0.0,,
Cc1ccc(-n2c(SCC(=O)NCCN3C(=O)CSC3=O)nnc2-c2ccccc2)cc1C,CID2412953,,,,,,,,,,,,,,,0.0,,
Cn1c(CCN2CCCCCC2)nc2cc(NC(=O)Nc3ccccc3)ccc21,CID665861,,,0.0,,,0.0,,,0.0,,0.0,,,,,0.0,
N#C/C(=C\c1ccc(-c2ccccc2Cl)o1)C(=O)Nc1nc2ccccc2s1,CID1527368,,,,,,,,,,,,,,,0.0,,
CC1=C(C(=O)Nc2ccc(F)cc2)C(c2ccncc2)C2=C(CCCC2=O)N1,CID2901229,,,0.0,,,,,,,,,0.0,,,,,
Cc1cc(C(=O)NCCCN2CCN(C3CCCCC3)CC2)n(-c2ccccc2)n1,CID5308104,,,,,,,,,,0.0,,,,,,,
Cc1cc(C(=O)NCC(=O)OCC(=O)N2CCCCCC2)ccc1[N+](=O)[O-],CID2380591,,,,,,,,,,,,,,,0.0,,
CN(CCO)c1cc(N2CCC3(CC2)OCCO3)c2nonc2c1[N+](=O)[O-],CID6617289,,,,,,,,,,,,,,0.0,,,
O=C1Nc2ccc(F)cc2C12Nc1ccccc1-c1nnc(SCc3ccccc3F)nc1O2,CID6416317,,,,,,,,,,,,0.0,,,,,
Cc1ccc(S(=O)(=O)N2CCCSCC2)cc1,CID373719,,,,,,0.0,0.0,,,0.0,,,,,,,
COc1ccc(CCNc2cc(N3CCN(CCO)CC3)ccc2[N+](=O)[O-])cc1OC,CID3140392,,,,,,0.0,,,,,,,,,,,
Cc1ccc(/C=N/n2c(C)nnc2C)o1,CID760489,,,,,,,,,,,,,,,0.0,,
O=C(CN1C(=O)c2ccccc2S1(=O)=O)NC1CCCCCC1,CID936708,,0.0,0.0,,,,,,0.0,,0.0,,0.0,,,,
Cc1c(/N=C/C=C/c2ccccc2)c(=O)n(-c2ccccc2)n1C,CID1550644,0.0,0.0,,,,0.0,,,,0.0,,,,,,,
O=C(NCc1cccnc1)c1ccc(NC(=O)c2ccco2)cc1,CID860582,,,,,,,,,,,0.0,0.0,,,,,
Cc1cc(=O)n(C)c(=O)n1CCCCCCOc1cccc([N+](=O)[O-])c1,CID3125146,,,,,,,,,,,,,,0.0,,,
Cc1cc(=O)nc(SCC2COC3(CCCCC3)O2)[nH]1,CID2904723,,0.0,,0.0,,,0.0,0.0,0.0,,,0.0,,,,,0.0
COc1ccc(S(=O)(=O)N(Cc2nc(=O)c3ccccc3[nH]2)C2CCCC2)cc1,CID655283,,0.0,,0.0,0.0,,,,,,,,,,,0.0,0.0
O=C(CN(C(=O)CCC(=O)Nc1nccs1)c1ccc2c(c1)OCCO2)NCc1ccco1,CID655289,0.0,,,,0.0,,,0.0,,,,,0.0,,,0.0,
Cc1ccc(SC(C)C(=O)Nc2ccccc2-c2ccccc2)cc1,CID2948169,,,,,,,,,,,,,,,0.0,,
Cc1cc(C)n(C(CC(=O)N2CCc3ccccc3C2)C(=O)O)n1,CID3773742,,,,,0.0,0.0,,,,,,,,,,,
Cc1noc(C)c1Cn1nc(C(=O)O)c2ccccc2c1=O,CID2372982,,,,,,,,,,,0.0,0.0,0.0,,,,
Cn1c(=O)oc2cc(S(=O)(=O)NCCC(=O)Nc3ccc4c(c3)OCCO4)ccc21,CID3239812,,,,,0.0,,0.0,,0.0,,,,,,,,
CCN1CCCC1CNC(=O)C1CCN(Cc2nc(-c3cccc(Br)c3)oc2C)CC1,CID3239818,0.0,,,,,,,,,,,,,0.0,,,0.0
Cc1cc2nc(N3C(=O)CNC3=S)sc2cc1C,CID2179291,,,,,,,,,,,,,,0.0,0.0,,
Cc1cc2c(cc1C)CSC(c1c(O)ccc3ccccc13)SC2,CID1724248,,,,,,,,,,0.0,,,,,,,
COC(=O)c1ccc(Oc2nc(N3CCCCC3)nc(N3CCOCC3)n2)cc1,CID1251575,,,,,,,0.0,,,,0.0,,,,,,
Cc1ccc(S(=O)(=O)n2[nH]c(=O)cc2NC(=O)c2cccs2)cc1,CID11834391,,,,,,,,,,,,,,0.0,,,
O=c1oc(-c2ccco2)nc2sc3c(c12)CCCC3,CID2791995,,,,,,,,,0.0,0.0,0.0,,,,,,
CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)CCC(=O)c2ccc3c(c2)OCCO3)c1C,CID2126621,,,0.0,,,,0.0,,,,,,,,,,
Cc1nn(-c2ccccc2)c2sc(C(=O)N(CC(=O)NC3CCCC3)Cc3ccco3)cc12,CID649983,0.0,0.0,0.0,,,,,,,,,,,,,0.0,0.0
CCOc1ccccc1NC(=O)CCCc1nc(=O)c2ccccc2[nH]1,CID649980,,,,,0.0,,0.0,,0.0,,,,,,,,
c1nc(COc2nsnc2N2CCOCC2)cs1,CID649989,0.0,0.0,,0.0,,,,,,,,,0.0,0.0,,0.0,0.0
Cc1cc(-c2nnc(SCc3ccccn3)o2)no1,CID652973,,,,0.0,,0.0,0.0,,,0.0,,,,,,0.0,
Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)c2cccs2)cc1,CID652974,,,0.0,,0.0,0.0,0.0,,,0.0,,,,,,,
CN(C(=O)c1ccc2c(c1)C(=O)N(CCC1=CCCCC1)C2=O)C1CCCCC1,CID3589268,,,,,,0.0,,,,,,,,,,,
O=C(NC(=S)Nc1cccc2ncccc12)c1ccco1,CID2963793,,,,,,,,,,,,,,0.0,,,
NC(=O)C1CCCN(CCc2ccccc2)C1,CID2845828,,,,,,0.0,,,,,,0.0,,,,,
COc1cccc(C(=O)NNc2nc(C)cc(C)n2)c1,CID585625,,,,,,,,,,,,,,0.0,0.0,,
O=C(Cc1ccccc1F)NCC(c1ccco1)N1CCCCC1,CID4880665,,,,,,,,,,,,,,,0.0,,
Cc1ccc(N/C=C\C(=O)C2C(=O)CC(C)(C)CC2=O)cc1,CID5389028,,0.0,,,,,,,,,,,,,,,
Cc1cc(C(=O)Nc2ccc(C(=O)O)cc2)c(-c2ccccc2)o1,CID603778,0.0,,,,,0.0,,,0.0,,,,0.0,,,,
CC1(C)N/C(=C/N=O)C=[N+]1[O-],CID5389024,,,,,,,0.0,,,,,,,,,,
Cn1ncc(N/C=C2\C=CC=CC2=O)c1C(=O)Nc1ccccc1,CID5389027,,,0.0,,,,,,,0.0,,,,,,,
CCO/C([O-])=C1\N=c2ccccc2=C1[N+]#N,CID5389021,,,,0.0,,,,0.0,,0.0,,,,,,,
Cc1cccn2c(=O)c3cc(C#N)/c(=N\C(=O)c4cccnc4)n(CC4CCCO4)c3nc12,CID664704,,,,,,,,,,,,,0.0,,,,
CC1(C)CC(=O)C(=CNc2cccc(NC=C3C(=O)CC(C)(C)CC3=O)n2)C(=O)C1,CID3315504,,,,,,0.0,,,,,,,,,,,
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)c([N+](=O)[O-])cc1OCc1ccccc1,CID5739388,,,,,,0.0,,,,,,,,,,,
Cc1cc(C)n2c(=S)[nH]nc2n1,CID705426,,0.0,,,,,,,,0.0,0.0,,0.0,,,,0.0
CCSCc1nnc(SCC(=O)Nc2nc3ccccc3s2)n1C,CID2233856,,,,,0.0,,,,0.0,,,0.0,,,,,
O=C(CCc1nc(=O)c2ccccc2[nH]1)OCc1ccc(-c2ccccc2)cc1,CID2475232,,,,,,,,,,,,,,0.0,,,
CC(NC(=O)c1cccnc1)C(=O)N1CCCCC1,CID3242162,,,,,,,,,0.0,0.0,,,,,,,
Cn1c(SCC(=O)N2CCCCCC2)nc2c([nH]c3ccccc32)c1=O,CID2155538,,,,,,,,,0.0,,0.0,,,,,0.0,0.0
CN(Cc1ccccc1)c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCc2ccccc2)C1=O,CID2892035,,,,,,0.0,,,,,,,,,,,
c1cncc(-c2nc(-c3ccc4c(c3)OCO4)cs2)c1,CID1536758,,0.0,,,,,,,,,,,0.0,,,0.0,0.0
Cc1cc(-c2nnc3n2N=C(c2ccc(-c4ccccc4)cc2)CS3)n[nH]1,CID665473,0.0,,,,0.0,,,,,,0.0,,,,,,
O=C(CSc1nnc(-c2cccs2)o1)OC1CCCCC1,CID648611,,,,,0.0,0.0,0.0,,0.0,0.0,0.0,,,0.0,,,
O=C(CSc1nnnn1C1CCCC1)Nc1ccc2c(c1)OCCO2,CID648610,,0.0,0.0,,,0.0,,,,,0.0,,,,,0.0,
COc1ccc(CN/C=C2\Nc3ccc(Br)c(Cl)c3C2=O)cc1,CID11957206,,,,,,,,,,,,0.0,,,,,
Cn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)N3CCOCC3)ccc21,CID1505948,,,,,,,,,,,0.0,,,,,,0.0
O=C(Nc1cccnc1)c1cccc(-c2cc3ccccc3oc2=O)c1,CID942378,,,,,,,,,,,,,,0.0,,,
CS(=O)(=O)N(CC(=O)NCC1CCCO1)Cc1ccc(Cl)cc1,CID2967191,0.0,,,,,,0.0,,,,,,,,,,0.0
C1CCc2nnc(-c3nnc4n3CCCCC4)n2CC1,CID3478630,,0.0,,,,,,,,,,,,,,,
Clc1ccc2c(NCc3ccccn3)ncnc2c1,CID1490545,,,,,,,,,,,,,,,0.0,,
N#Cc1c(N/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)sc2c1CCCC2,CID5767374,,,,,,0.0,,,,,,,,,,,
Cn1c(=O)[nH]c(=O)c2c1nc(SCCN1CCCCC1)n2CCCc1ccccc1,CID652142,0.0,,0.0,,,,0.0,0.0,,,0.0,,,,,0.0,
Cc1cc(N2CCC(C(=O)NCC3CC3)CC2)nc(-c2ccccc2)n1,CID652141,0.0,,0.0,,,,,,,0.0,,0.0,0.0,,0.0,,
Cc1cccnc1NC(=O)c1ccc2nc(N)sc2c1,CID652148,,0.0,,,,0.0,0.0,0.0,,0.0,,,0.0,,,,
O=C(NC(Cc1ccc2c(c1)OCO2)C(=O)NC(Cc1ccccc1)C(=O)O)c1ccccc1,CID2914567,,,,,,,,,,,0.0,,,,,,
O=C(NC1CCCC1)C1CC1c1ccccc1,CID2844902,,,0.0,,,,,0.0,,,,,,,,,
CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2cnccn2c1C(=O)c1ccc(F)cc1,CID645341,0.0,,,,0.0,,,,,,,,0.0,,,,
Cc1ccc(C(NC(=O)N2CCOCC2)=C(Cl)Cl)cc1F,CID2319975,0.0,0.0,,,,,,,,,,,,,,,
O=C(CSc1nc(O)cc(=O)[nH]1)C1CC1,CID698770,,,,0.0,,,0.0,,,,,,0.0,,,,
O=C(c1cn(-c2ccccc2)nc1-c1ccncc1)n1nnc2ccccc21,CID1307930,,,,0.0,,,,,,0.0,,0.0,0.0,,,,
CCN1CCCC1CNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2)cc1,CID2965972,,0.0,,,,,,,,,,,0.0,,,,
COc1ccc(C(=O)NC(=O)N2CCCCC2)cc1,CID977491,0.0,,,0.0,,,0.0,0.0,,0.0,,,,,,0.0,
CC1CCN(C(=O)c2cc3ccccc3o2)CC1,CID977492,,,,0.0,,,0.0,,,,,,0.0,0.0,,0.0,
CCn1c2c(c3cc(Br)ccc31)CCC/C2=N\O,CID743384,0.0,,,,,,,,,,,0.0,,,,0.0,0.0
COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)NCc3cnn(C)c3C)n2)cc1OC,CID1166124,,,,,,,,,,,,,,0.0,,,
Cn1c(=O)c(C#N)c(-c2ccccc2)n2cnnc12,CID645501,,,0.0,0.0,,,,,,,0.0,0.0,,,,,
O=c1cc(N2CCC(Cc3ccccc3)CC2)[nH]c(=O)n1C1CCCCC1,CID3239085,0.0,,0.0,0.0,,,,,,0.0,0.0,0.0,,,,,0.0
CCOC(=O)CC1=C(C(=O)OCC)C2(C(=O)N1)C(C(=O)OC)=C(N)Oc1ccccc12,CID2969922,,,,,0.0,,,,,,,,0.0,,,,
O=S(=O)(c1ccc(S(=O)(=O)N2CCCN(Cc3ccccc3)C2)cc1)N1CCCCCC1,CID645963,,,,,,0.0,,,,,,,,,,,
O=C(NCc1ccc(C(=O)N2CCC3(CC2)OCCO3)cc1)c1ccc2c(c1)OCO2,CID3237803,,0.0,0.0,0.0,,,,,0.0,0.0,,,,,,,
CC(NC(=O)c1cccs1)C(c1cccs1)N1CCOCC1,CID3237806,0.0,,,,0.0,,,,,0.0,,,,,,,
CCOC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1c(C)nn2CCC#N,CID2421766,0.0,0.0,0.0,,,,,0.0,,,,,,,,,
O=C1CCc2cc(S(=O)(=O)NCCC(=O)NC3CCN(Cc4ccccc4)CC3)ccc2N1,CID3237805,,,,,0.0,,,,,,0.0,,,,,,
O=C(O)c1cc(-c2ccccc2)c(N2CCOCC2)s1,CID3237808,,,,,,0.0,,0.0,,,,,,,,,
CCc1ccc(NC(=O)CCN2C(=O)c3cccnc3C2=O)cc1,CID3237809,,0.0,0.0,0.0,,0.0,,,,,,,,,,,
CN(Cc1ccco1)C(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2,CID5308286,,,,,,,,0.0,,,,,,,,,
Cc1cc(C)n(CC(=O)N2c3ccccc3Sc3ccccc32)n1,CID658172,0.0,,,0.0,,,0.0,,,,,,,,,0.0,0.0
Nn1c(SCC(=O)NC(=O)NC2CCCC2)nnc1-c1ccccc1F,CID2558669,0.0,,0.0,0.0,,,,,,0.0,0.0,,,,,0.0,
COC(=O)c1ccc(-c2ccc(/C=N\Nc3ccc([N+](=O)[O-])cn3)o2)cc1,CID5346277,,,,,,0.0,,,,,,,,,,,
O=c1ncnc2n(Cc3ccccc3)[nH]cc1-2,CID227519,,0.0,,,,0.0,,0.0,0.0,,,,,,,,0.0
O=C(NCc1cccnc1)c1cccs1,CID573874,,,,,,,,,,,,,,,0.0,,
O=C(CSc1ccc2ccccc2n1)Nc1nsc(-c2ccc(Cl)cc2)n1,CID1281724,,,,,,,,,,,,,,0.0,,,
CC(C)N1CCN(Cc2cccc3nonc23)CC1CCO,CID16189854,,,,,,,,,,,,,,,0.0,,
CN(CCOc1ccc(-c2ccn(S(=O)(=O)c3cccc4ccccc34)n2)cc1)c1ccccn1,CID1481480,,,,,,,,,,,,,,0.0,,,
Fc1cccc(CSc2nc3ccncc3[nH]2)c1,CID3551006,,,0.0,0.0,,,,,,,,,0.0,,,0.0,
Cc1cc(C)nc(Nc2nc3ccccc3[nH]2)n1,CID73249,,0.0,,0.0,,,,,,,0.0,0.0,,0.0,0.0,,
COc1cccc(S(=O)(=O)NCc2ccc(C(=O)NCc3ccco3)cc2)c1,CID984394,,,0.0,0.0,0.0,,,,,,0.0,,,0.0,,0.0,
N#Cc1ccccc1NC(=O)COC(=O)CSc1nc2ccccc2o1,CID1502104,0.0,0.0,,0.0,,,,,,,,,,,,,0.0
COc1ccc(-c2cc(C(=O)OC(C)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c3ccccc3n2)cc1,CID4068807,,,,,,,,,,,,,,,0.0,,
CCN1C(=O)CC(N2CCC(Cc3ccccc3)CC2)C1=O,CID599871,0.0,,0.0,0.0,,,0.0,,,,,,0.0,,,0.0,
CC1(C)CC(=O)C(C(=O)c2ccccc2)C(=O)C1,CID788368,,,,,,,,,,,,,,0.0,,,
COC(=O)CCCC(=O)N1CCCC(CCC(=O)NCc2ccc(F)c(F)c2)C1,CID16188189,,,,,,,,,,,,,,,0.0,,
C=CCn1c(SCC(=O)c2[nH]c(C)c(C(=O)OCC)c2C)nc2scc(-c3ccccc3)c2c1=O,CID982706,,,,,,,,,,,,,,0.0,,,
CCOC(=O)C(C(=O)OCC)C(CC(=O)C1CC1)c1ccccc1,CID267156,,,,,,0.0,0.0,,,,,,,,0.0,,0.0
COc1ccc(N2CCN(CCOc3ccc4c(C)cc(=O)oc4c3)CC2)cc1,CID982708,,,,,,,,,,,,,,0.0,,,
Cc1cc(C(C)c2ccccc2)c(O)c(CN2CCOCC2)c1C,CID2952730,,,0.0,,,,,0.0,,,,,,,,,
COc1cccc(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c1,CID3206747,,,,,,,,,,,,,,,0.0,,
CCCc1nnc2c(N(C)S(=O)(=O)c3ccccc3)nc3ccccc3n12,CID2029291,,,,,,,,,,,,,,0.0,,,
Cn1c(=O)oc2cc(C(=O)c3ccccc3)ccc21,CID657655,,,,,,,0.0,0.0,0.0,0.0,0.0,,,0.0,,,
CC1(C)Cc2c(C#N)c(N3CCOCC3)nc(Cc3ccccc3)c2CO1,CID657654,,,0.0,,,0.0,,,0.0,,,,,,,,0.0
Clc1ccc2[nH]c3c(NCCCN4CCOCC4)ncnc3c2c1,CID661700,0.0,0.0,,,,,0.0,,,0.0,,,,,,0.0,
CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CN1CCN(c2ccccn2)CC1,CID661701,,,0.0,0.0,,,,,,,,,,,,,0.0
CCn1c(O)c(C(=O)CC2NCCc3ccccc32)c(=O)n(CC)c1=S,CID661706,,0.0,,,,,,0.0,,,,,,0.0,,,
N#Cc1c(N2CCOCC2)nc(N2CCCCC2)c2c1CCN(C1CCCCC1)C2,CID657650,,,0.0,,,,,,,,,,,,,,
CCOC(=O)N1CCN(C(=O)CSc2ncccn2)CC1,CID3243036,,,0.0,,,,,0.0,,,,,,,,,
CCCN1CCN(C(=O)Cn2cccc2C(=O)c2ccccc2)CC1,CID3243031,0.0,,,0.0,,,,,,,,,,,,,
COc1cccc(CNc2cccc3cccnc23)c1O,CID753627,,,0.0,,0.0,,,,,,,0.0,,,,,
O=C(Cc1ccc(F)cc1)Nc1cccc2cccnc12,CID836402,,,,,,,,,,,,,,,0.0,,
Cc1ccc(S(=O)(=O)NCCCOC(=O)Nc2ccncc2)cc1,CID3236724,,,,,0.0,,0.0,0.0,0.0,,,,0.0,,,0.0,
COc1ccc(NC(=S)N/N=C2\CC(C)(C)Oc3ccc(O)cc32)cc1,CID4194582,,,,,,,,,,,,,,,0.0,,
O=C(CNC(=O)c1ccccc1)NC1(C(=O)NC2CCCC2)CCCCC1,CID3236722,0.0,,,,,,0.0,0.0,0.0,,,,,,,,
O=C(NCCC1=CCCCC1)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1,CID3236723,,,,,,,,,,,,,,,,0.0,
O=C(NCc1ccccn1)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1,CID3236728,,0.0,,,,,,,,0.0,,,0.0,,,,
O=C(NCc1ccco1)C1CCCN(S(=O)(=O)c2cccc3nonc23)C1,CID3236729,,,,,,,,,,0.0,,,,,,,0.0
CCOC(=O)C1=C(N)N(c2ccccc2Oc2ccccc2)C(=O)C1,CID2385034,0.0,0.0,,,,0.0,,0.0,,,,,,,,,0.0
O=C(COC(=O)/C=C/c1ccccc1Cl)NC1CCCCCC1,CID2121144,,,,,,,,,,,,,,0.0,,,
COc1ccc(-n2nc([N+](=O)[O-])/c(=N/CCCN3CCCC3=O)n2O)cc1,CID16193054,,,,,,,,,,,,,,,0.0,,
CN1/C(=C(\C#N)C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)Nc2ccccc21,CID5771470,,,,0.0,,,,,,,,,,,,,
O=C1SC(c2ccccc2)=N/C1=C/c1ccco1,CID5771471,,,,,,0.0,,,,,,,,,,,
Cn1cccc1C(=O)NC(=O)CSc1nnc(C2CC2)n1-c1ccccc1,CID2545997,0.0,,0.0,,,,,,,,0.0,,0.0,,,,
O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)Nc1ccon1,CID2946890,,,,,,,,,,,,,,0.0,,,
Cc1ccc(SCCC(=O)NCc2ccco2)cc1,CID951589,,,,0.0,0.0,,0.0,0.0,,0.0,,,,,,,
COc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCCOc4ccccc4)c3)C2=O)cc1,CID2241745,,,,,,0.0,,,,,,,,,,,
COc1ccc2nc3sc(C(=O)NCc4cccs4)c(N)c3cc2c1,CID656122,,,0.0,,0.0,0.0,,,,0.0,,,0.0,,,,
COc1ccc(CCNC(=O)c2ccc3c(=O)n(Cc4ccco4)c(=S)[nH]c3c2)cc1OC,CID3237100,,,0.0,,0.0,0.0,,0.0,,,0.0,,0.0,,,,
COc1ccc(-c2cnn3c4c(c(C)nc23)CCN4C2CCCC2)cc1OC,CID2768300,,,,,,,,,,,,,,,0.0,,
Cc1c2non([O-])c-2c(C)[n+](=O)[n+]1[O-],CID2841077,,,0.0,0.0,,,,,0.0,,,,,,,,
O=C(NCCCN1CCOCC1)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12,CID2930838,0.0,,0.0,,,,,,0.0,0.0,0.0,,0.0,,,,0.0
Cc1cc(N2CCOCC2)nc2ccc(NC(=O)CCC(=O)N3CCC4(CC3)OCCO4)cc12,CID3245068,,,,,,,,,,,,,0.0,,,,
O=C(NC1CCCCC1)N1CCCCCCC1,CID3245060,,,0.0,,,,,0.0,,,,,,,,0.0,
O=C(NCCc1ccccc1)c1noc2c1CCCCC2,CID3244730,0.0,,,,0.0,0.0,,,,,0.0,,,,,0.0,0.0
CCOc1ccc(C2C(C(=O)O)c3ccccc3C(=O)N2CCN2CCOCC2)cc1,CID3241439,,0.0,0.0,,0.0,,,,0.0,,,,,,0.0,,
CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccncc2)c1C,CID2390784,,,,,,,,,,,,,0.0,,0.0,,
CC/N=C1\SC(CC(=O)NCC)C(=O)N1CC,CID3149567,,,,,,,,,,,,,,0.0,,,
Cc1nnc(Nc2ccc(C(=O)N3CCOCC3)cc2)c2ccccc12,CID2881707,,,,,,,,0.0,,,,,,,,,0.0
O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)NCc1ccc2c(c1)OCO2,CID2368254,,0.0,,,,,,0.0,,,,,0.0,,,,
O=C(O)CCC(=O)N(Cc1cccs1)Cc1cccs1,CID574469,,,,,0.0,,0.0,,0.0,0.0,,,0.0,,0.0,,
COc1ccc(-n2c(=S)[nH]c3cc(C(=O)Nc4cccc(C)c4)ccc3c2=O)cc1,CID4100991,,,,,,,,,,,,,,0.0,,,
O=C(CNC(=O)c1cnccn1)Nc1ccc(F)c(F)c1F,CID2595192,,,,,,,,,0.0,,,,,0.0,,,
Cc1noc(C)c1C(=O)NC(C)c1ccc2c(c1)OCO2,CID2971164,,0.0,,,,,0.0,,,,,0.0,,,,0.0,
COc1cccc2sc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)nc12,CID1379523,,,,,,0.0,,,,,,,,,,,
COc1ccc(-c2ccnc3nc(N4CCOCC4)nn23)cc1,CID1476924,,,,,,,,,,,,,,,0.0,,
COc1ccc(N/C=C2\CCOC2=O)cc1,CID791477,,0.0,,0.0,,,0.0,,,,,,0.0,,,,
Fc1ccc(-n2c(Cc3ccccc3)nnc2SCc2nc(-c3cccs3)no2)cc1,CID1249303,,,,,0.0,,,,,,,,,,,,
CCOC(=O)c1snc(-c2ccc(F)cc2)c1N,CID647033,,0.0,,0.0,,,,0.0,,,,,,,,,
Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(Cl)cn2)cc1,CID647036,0.0,,,0.0,,,0.0,,,,,,,,,,0.0
Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CN2CCCC2)n1,CID2332241,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1cc(C)sc1N1C(=O)C2C3C=CC(C3)C2C1=O,CID2956881,,,,0.0,,,,,,,,,,,,,
O=C(Nc1ccc2c(c1)OCCO2)N1CCN(c2ccccc2)CC1,CID1474781,,,,,,0.0,,,,,,,,,,,
O=C(Nc1ccc2c(c1)OCCO2)N1CCN(Cc2ccccc2)CC1,CID1474785,,,,,,,,,,,,,,0.0,,,
CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)C1CCCCC1,CID1248075,,,,,,,,,0.0,,,,,,,,
C=CCn1c(SCc2c(C)noc2C)nc2sc(C)c(C)c2c1=O,CID2214824,,,,,,,,,,0.0,0.0,,,0.0,,,
O=C(NC(=S)Nc1ccc(Cl)cn1)C(c1ccccc1)c1ccccc1,CID1048122,,,,,,,,,,,,0.0,,,,,
Cc1nnc(SCc2nnc(-c3cccs3)o2)n1C1CCCCC1,CID2527862,,,,,,,,,,,,,,,0.0,,
COC(=O)C1C(=O)C=C(N2CCOCC2)CC1(C)C,CID544174,,,,,,0.0,0.0,,,0.0,0.0,,,,,0.0,0.0
CN1CCN(C(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)CC1,CID1152543,,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2noc(COc3ccc4ccccc4c3Br)n2)cc1OC,CID666230,0.0,,,,,,,,0.0,,0.0,,,,0.0,,
CN1CC2(C(=O)c3ccccc3)CN(C)CC(C(=O)c3ccccc3)(C1)C2,CID547407,0.0,0.0,,,,0.0,,,0.0,,0.0,,0.0,,,,0.0
c1ccc2c(CCNc3ncnc4nc[nH]c34)c[nH]c2c1,CID165348,,,0.0,0.0,,,,,,,,,,,,,
Cc1cc(C)c2c3c(sc2n1)C(=O)N(Cc1ccccc1)CC(=O)N3,CID1990301,,,,,,,,,0.0,,0.0,,,,,,
O=C(NCc1ccco1)c1cc(=O)c2ccccc2o1,CID2305708,,,,,,,,,,,,,,0.0,,,
O=C(NN=C1C2CC3CC(C2)CC1C3)c1cc(Cl)ccc1O,CID840860,,,,,,0.0,,,,,,,,,,,
CN(C)C(CNC(=O)c1cccs1)c1cccnc1,CID5212172,,0.0,,,,,,,,,0.0,,,,,,
CC(=O)NC1C(=O)N=C(SCC(=O)NCc2ccccc2)NC1=O,CID652438,,,0.0,0.0,,,,,,,0.0,,,,,,
O=S(=O)(NCC1CC1)c1cccc(S(=O)(=O)N2CCCC2)c1,CID652432,,,,,0.0,,0.0,,0.0,,0.0,,,,,,
O=C(c1nc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1)N1CCOCC1,CID652430,,,,,0.0,,,,,,,0.0,,,,,
CC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(C3CCCCC3)s2)cc1,CID652436,0.0,0.0,,0.0,0.0,,0.0,,,,0.0,,0.0,,,0.0,
Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3cccc(C(=O)N4CCN(C)CC4)c3)n2)cc1,CID652437,,,0.0,,,,0.0,,,0.0,,,,,,,0.0
CN(CCNC(=O)c1cccc(N2CCCC2=O)c1)Cc1ccccc1,CID3238648,0.0,0.0,0.0,0.0,,0.0,0.0,,,,0.0,0.0,,,,,0.0
CCOc1ccc(-n2cc(C(=O)N3CCC(C)CC3)c3cc(OC)c(OC)cc3c2=O)cc1,CID3238640,,0.0,,0.0,0.0,,,,,0.0,,,0.0,,,,
O=C(CCS(=O)(=O)Cc1ccccc1F)NCCCN1CCCCC1,CID3238643,,,,,,,,0.0,,0.0,,,,,,,0.0
O=C1c2ccccc2N2C(=O)c3ccccc3C2N1O,CID3238645,,,,,,,,,,,,,0.0,,,,0.0
Cc1ccc(C2NC(=O)NC(O)(C(F)(F)F)C2C(=O)c2cccs2)o1,CID3238644,0.0,,,,,,,,,,,,,,,,0.0
COCC(=O)N(Cc1ccco1)c1nnc(C2CCOC2)s1,CID654870,,,,,,,,,,,,,0.0,,,,0.0
O=C(O)Cn1c(CC(=O)N2CCCC2)nc2ccccc21,CID654876,,,0.0,,,,0.0,0.0,0.0,,,,,,0.0,,
O=C(Nc1ccc2c(c1)OCCO2)c1ccc2nccnc2c1,CID654879,,0.0,0.0,,0.0,,,,0.0,,,,0.0,,,,
O=C1/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1Cc1ccccc1,CID2263079,,,,,,0.0,,,,,,,,,,,
c1ccc2oc(N3CCNCC3)nc2c1,CID647818,,,,,,,0.0,0.0,,,,0.0,,,,,
O=C(CCNc1n[nH]c(=O)[nH]c1=O)N1CCCCC1,CID647816,,0.0,,,,,,,,,,,,,,,
c1ccc2c(-c3nn4nnnc4c4ccccc34)cccc2c1,CID2330261,,,,,,,,,,,0.0,0.0,,,,,
Cc1ccc(C)c(Cn2[nH]nc3c(=O)nc(C4CCCN(C(=O)C5CCC5)C4)nc2-3)c1,CID647811,,,,,,0.0,,,,0.0,,,,,,0.0,
COc1ccc(NC(=S)c2ccncc2)cc1,CID802480,,,,,,,,,,,,,,,0.0,,
CCCCNC(=O)Nc1ccnn1C1CCCCC1,CID2103165,,0.0,,,,,,,,,,,,,,0.0,
Cc1cccc(C)c1OC(=O)CSC1=NN/C(=C2/C=CC=CC2=O)O1,CID5442517,,,,,,,,,,0.0,,,,,,,
Cc1cccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)n1,CID654298,,0.0,0.0,0.0,,,,,0.0,,,,0.0,,,,
CCC(=O)N1CCc2cc(S(=O)(=O)NC(Cc3ccccc3)C(=O)NC3CCCC3)ccc21,CID3239994,0.0,,0.0,,0.0,0.0,0.0,0.0,,,0.0,,,,,,
CC1CCN(CCCNC(=O)CN2CCN(Cc3ccc(Cl)cc3)C2=O)CC1,CID5308736,0.0,,,,,,,,,,,,0.0,,,0.0,
COc1cc2c(C(=O)N3CCN(C)CC3)c(C)oc2cc1Br,CID550926,0.0,,,,,,,,0.0,,0.0,0.0,,,0.0,0.0,0.0
O=C(NC1CCCc2ccccc21)C1CCN(C(=O)c2sccc2-n2cccc2)CC1,CID5308731,0.0,,,,,,,,,,,,,,,,
Cc1ccc(N2C(=O)CC(NC3CCCC(C)C3C)C2=O)cc1,CID2888990,,,,,,0.0,,,,,,,,,,,
CC(C)c1ccc(CNc2cc(N3CCN(S(=O)(=O)c4ccccc4)CC3)ccc2[N+](=O)[O-])cc1,CID2888995,,,,,,0.0,,,,,,,,,,,
O=C(CSc1nnc(NC(=O)c2ccco2)s1)NC1CCCC1,CID651719,0.0,0.0,,0.0,0.0,,,0.0,,,,,0.0,0.0,,0.0,
Cn1c(SCC(=O)Nc2ccc3cn[nH]c3c2)nnc1-c1cccs1,CID1248857,,0.0,,0.0,0.0,,,,0.0,0.0,,0.0,,,,,0.0
CC(C)(C)NC(=O)C(c1cccs1)N(CC1CCCO1)C(=O)Cn1nnc(-c2cccs2)n1,CID651713,,,,,,,,,,,,0.0,,,,0.0,
O=C(CN(Cc1ccc2c(c1)OCO2)C(=O)CNC(=O)c1ccco1)NC1CCCCC1,CID651716,,,,,,0.0,,,0.0,,0.0,,,,,,
O=C(Oc1ccc(N2C(=O)CCC2=O)cc1)c1ccco1,CID929919,,,,0.0,,,,0.0,,,,,0.0,,,,
O=c1nc(Nc2ccccc2)[nH]c(N2CCCCC2)n1,CID929912,,,,,,,,,,,0.0,0.0,,,,,
O=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)Nc1ccccn1,CID1125223,0.0,0.0,0.0,0.0,,,,0.0,0.0,,0.0,,,,,,
Cc1ncc(C23CC4CC(CC(C4)C2)C3)[nH]1,CID3116427,0.0,,,,,,0.0,,,0.0,,0.0,,,,,
O=c1oc2c3c4c(cc2s1)CCCN4CCC3,CID879979,,,,,0.0,,,,,,,,,,,,
CCOC(=O)N1CCN(C(=O)C(NC(=O)c2ccc(CC)cc2)C(C)C)CC1,CID2973262,,0.0,,,0.0,,,0.0,,,,,,,,0.0,
CC1(C)CC(=O)C(=CNCCN2CCNC2=O)C(=O)C1,CID1818382,,,,,,,,0.0,,,,,,,,,
O=C(CSc1ccccn1)c1ccc2c(c1)OCO2,CID686441,,,,,,,,0.0,,,,,0.0,,,,0.0
Clc1ccc(Cn2ncc3c(NCCN4CCOCC4)ncnc32)cc1,CID1542100,0.0,,,,,,0.0,,,,,0.0,,,,,
Cc1ccc(C)c(N/C(N)=N/c2nc(C)cc(C)n2)c1,CID5734740,,,,,,,,,,,,,,0.0,,,
Cn1cccc1/C=N/NC(=O)Cn1cnc2ccccc21,CID697108,,,,,,,,,,,,0.0,,,,,
Cc1ccccc1C(=O)NCC(=O)NNC(=S)NC(=O)c1ccccc1,CID8143319,,,,,,,,,,,,,,0.0,,,
C(=N/n1cnnc1)\c1ccc2ncccc2c1,CID2315474,,0.0,,0.0,,0.0,,,,,,,,,,,
Cc1c(/N=C/c2ccco2)n(Cc2ccccc2)c2ccccc12,CID1380790,,,,0.0,,0.0,,0.0,,,,,0.0,,,,
Cc1cc(C)c(NC(=O)C2CSCCS2)c(C)c1,CID2998184,,,,,,,0.0,,,,,0.0,0.0,,,,
COCC(C)n1c(C)cc(C(=O)COC(=O)c2oc3ccccc3c2C)c1C,CID2998185,,,0.0,0.0,,,0.0,,,,,,,,,,
O=C(NCCc1c[nH]c2ccccc12)C1Cc2ccccc2CN1C(=O)c1ccco1,CID2998186,0.0,,,,,,,0.0,,,,,,,,,0.0
CC1CCCCN1C(=O)COc1ccc(NC(=O)c2ccco2)cc1,CID2998187,0.0,,,0.0,,,,,0.0,,,,,,,,
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCc1nc(=O)c3sccc3[nH]1)n2CC,CID2998182,,,,,0.0,,,,,,,0.0,,0.0,,,
CCCC(C(=O)N1CCOCC1)N1C(=O)C2C3C=CC(C3)C2C1=O,CID2921582,,,,,,,,0.0,,0.0,,,,,,,0.0
CCOc1ccc2nc(SCCNS(=O)(=O)c3ccccc3)sc2c1,CID1951158,,,,,,,,,,,,,,0.0,0.0,,
O=C(c1ccccc1)c1ccc(N2CCOCC2)c(NC(=O)c2ccco2)c1,CID1294294,0.0,,,,,,,,0.0,0.0,,,0.0,,,,
CN1CCN(c2nc(N(C)C)oc(=O)c2C#N)CC1,CID2766683,,,,,,,,,,,,,,,0.0,,
O=C(CSc1ccc2c(c1)OCCO2)NC(=O)NC1CCCC1,CID2606735,,,0.0,,0.0,,,,,,,,,,,0.0,
Cc1ccc(CNC(=O)CSc2nc3nnc(C)c-3c(N)n2-c2cccc(C)c2)cc1,CID5068366,,,,,,,,,,,0.0,,,,,,
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccoc3C)cc2)nc(C)n1,CID3243546,,0.0,,,,0.0,,,0.0,,,,,,,,0.0
O=C(NC1CCCC1)c1cccc(Cn2cc([N+](=O)[O-])cn2)c1,CID1225689,,,,,,,,,,,,,,,0.0,,
COc1ccc(-n2nnnc2SCC(=O)c2cc3ccccc3o2)cc1,CID2998721,0.0,,,,,0.0,,0.0,,,,,,,,,
CC1CN(C(=O)c2cc3c(s2)CCC3)CC(C)O1,CID2998722,,,,,,,0.0,,,,,,,,,,
Cn1c(SCC(=O)c2ccc3c(c2)OCO3)nnc1C1COc2ccccc2O1,CID2998725,,,0.0,,0.0,,,0.0,,,,,,,,,0.0
CC1Cc2ccccc2N1C(=O)COC(=O)Cn1nnc(-c2ccccc2)n1,CID2998726,0.0,,0.0,0.0,,,,,,,,,,0.0,,,
O=C(c1ccco1)N1CCN(CC(O)Cn2c3ccccc3c3ccccc32)CC1,CID655901,,0.0,,,,,,0.0,,,,0.0,0.0,,,,0.0
Cc1c(NC(=O)C(C)Sc2nc3ccccc3c(=O)n2CCO)c(=O)n(-c2ccccc2)n1C,CID2999239,,0.0,0.0,,0.0,,,,,,,,,0.0,,0.0,0.0
COc1ccc(OC)c(-c2csc(NC(=O)c3ccc(OCC4CCCO4)cc3)n2)c1,CID5122310,,,,,,,,,,,,,,,0.0,,
CCCCn1c(-c2ccsc2)nc2c1c(=O)[nH]c(=O)n2CCC,CID2999237,0.0,0.0,,,,,0.0,0.0,0.0,,,,0.0,,,0.0,
C=CCn1c(=O)/c(=C/c2ccc(C)o2)s/c1=C(\C#N)C(=O)c1ccccc1,CID2999236,0.0,,0.0,,,0.0,,0.0,,,,,,,,,0.0
COc1ccc(NC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)cc1OC,CID660637,,,,,,0.0,,,,,,,,,,,
O=C(CCCNS(=O)(=O)c1cccc2nsnc12)NCCc1ccccc1,CID3239169,0.0,0.0,,,0.0,0.0,,,0.0,0.0,0.0,,,,,,0.0
CCOC(=O)N1CCC(NC(=O)CCc2cn(C)c3ccccc23)CC1,CID3239167,,,,,0.0,,,0.0,,,,,0.0,,,,0.0
COc1ccc(CCNC(=O)Cn2c(=O)n(Cc3ccco3)c(=O)c3ccc(Cl)cc32)cc1OC,CID3239165,0.0,0.0,,,,,0.0,,,0.0,,,,,,,
O=C(NCc1cccnc1)c1cc(-c2cccs2)on1,CID3239163,0.0,,,0.0,0.0,,0.0,,,,,,,,,0.0,
C=CCn1c(=O)c(C#N)cc2c(=O)n3ccccc3nc21,CID3239161,,,0.0,0.0,,,,0.0,,,,,,,0.0,,
O=S1(=O)Nc2c(ccc3cccnc23)-c2ccccc21,CID659101,,,,,,,0.0,,,,,,0.0,,,,0.0
O=C(COC(=O)c1cc2ccccc2o1)c1ccccc1,CID684686,,,,,,,0.0,,0.0,,0.0,,,0.0,,,
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCCC1,CID2883648,,,,,,,,,,,,1.0,,,,,
O=C(Nc1ccc2nc3ccccc3nc2c1)c1ccc(Br)cc1,CID3273794,,,,,,,,,,,,,,0.0,,,
COc1ccc(S(=O)(=O)N2CCCC(C(=O)N3CCOCC3)C2)cc1C,CID2967017,,,,0.0,,,,,,0.0,,,,,,0.0,
Cc1ccc(C)n1-c1ccccc1N1CCCCC1,CID2117508,,,,,,,,,,,,,,,0.0,,
CC1(C)N(OCc2ccccc2)C(=O)C(=O)N(OCc2ccccc2)C1(C)C,CID1562928,,,,,,,,,0.0,,,,,,,,
CN(Cc1cccnc1)Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1,CID16189799,,,,,,,,,,,,,,,0.0,,
CC(C)(C)NC(=O)C(c1ccco1)N(C(=O)c1ccc(CN2CCOCC2)o1)c1ccccc1,CID646763,0.0,0.0,0.0,,,,0.0,,,,,,0.0,,,,
Cn1c(N)c(C(=O)c2cc(-c3ccccn3)nc3ccccc23)c(=O)[nH]c1=O,CID2112283,,,,,,,0.0,,,,,,,,0.0,,
Cn1nc(C(=O)Nc2nc3ccccc3[nH]2)ccc1=O,CID2128380,,,,,,,,,,,,,,,0.0,,
COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccccc1,CID2217893,,,,,,0.0,,,,,0.0,,,,,,
O=c1c2ccccc2nc2n1-n1cnnc1-c1ccccc1-2,CID703829,,,,,,,0.0,0.0,,,0.0,,,,,,
O=C(c1c(Cl)nc2sccn12)N1CCCc2ccccc21,CID2312959,,0.0,,,0.0,,,,,0.0,,,,,,,0.0
O=C(CCS(=O)(=O)c1ccc(Br)cc1)NCc1cccs1,CID3240858,,,,,,,,,0.0,,,,,,,,
COc1cc(C(=O)NCCC(=O)NCCN2CCOCC2)cc(OC)c1OC,CID3244282,,,,,0.0,,,0.0,,,0.0,,,,,,
O=C1c2oc3ccccc3c(=O)c2C(c2cccnc2)N1CCCN1CCOCC1,CID664909,,,,,,,,,0.0,,,,,,,,
CC12CCC3c4ccc(OC(=O)c5ccccc5)cc4CCC3C1CCC2O,CID222757,,,,,,,,,,,,,,,,0.0,
Cc1cccn2c(=O)c(/C=N/c3c(C)n(C)n(-c4ccccc4)c3=O)c(N3CCCC3)nc12,CID2307744,0.0,,,,,,,,,0.0,,,0.0,,,,0.0
c1cc2c3c(cccc3c1)C(N1CCCCC1)=N2,CID759534,,0.0,,,,0.0,,,,,,0.0,0.0,,,,
CC1(C)NC(=O)N(CC(O)CN2CCCC2)C1=O,CID2909886,,0.0,,,,,,0.0,,,,0.0,,,,,
Cc1cc(=O)nc(N/N=C/c2ccco2)[nH]1,CID252491,,,,,,,,,0.0,,0.0,0.0,,,0.0,,
COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1OS(=O)(=O)c1ccccc1,CID1737771,,,,,,,,,,,,,,,0.0,,
CCN(CC)c1ccc(C(=O)OCC(=O)Nc2ccccc2-c2ccccc2)cc1,CID2095969,,,,,,,,,,,,,,0.0,,,
CC(C)CCN1C(=O)/C(=N\NC(=O)c2ccco2)c2ccccc21,CID6881807,,,,,,,,,,,,,,0.0,,,
CS(=O)(=O)N(C(=O)NC(=O)OCC1COc2ccccc2O1)C1CCCCC1,CID2997643,,,,,0.0,,,,,,0.0,,,,,0.0,
O=C(COC(=O)C1COc2ccccc2O1)NC1CCS(=O)(=O)C1,CID2997647,,,,,,,,,,,,,,,,0.0,
CCOC(=O)c1c(NC(=O)CSc2nc3ccccc3o2)sc(C)c1C,CID1248388,,,,,,,,,,,,,,0.0,0.0,,
COc1ccccc1OCC#CCSc1ncccn1,CID2216141,,,,,,,,,,,,,,0.0,,,
O=C(N1CCN(c2ccccn2)CC1)N1c2ccccc2Sc2ccccc21,CID660379,,0.0,,,,,0.0,,,,,,0.0,,,0.0,0.0
Cc1nc(NC2=NC(C(=O)Nc3ccc(Cl)cc3)CC(=O)N2)nc2ccccc12,CID2901850,,,,,,,,,,,,0.0,,0.0,,,
CC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)cs1,CID778779,,,,,,,,,0.0,,,,,,,,
Cc1sc(N/C=C2\C(=O)C=Cc3ccccc32)c(C#N)c1C,CID5403659,,,,,,,,,,,0.0,,,,,,
CC1(C)CC(=O)c2c(Cc3ccccc3)n[nH]c2C1,CID705460,,,,0.0,0.0,0.0,,,,0.0,,,,,0.0,0.0,
Cc1cc(NC(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)no1,CID2504398,,,,,,,,,0.0,,,,,,,,
O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1cccnc1,CID2133034,,,,,,,,,0.0,,,,,,,,
CCCCn1c(N)c(N(CCC(C)C)C(=O)COC(=O)c2ccco2)c(=O)[nH]c1=O,CID3000064,,0.0,,,,,,,,,,,,,,,
CC1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)NCCC2=CCCCC2)C1=O,CID3000065,,,0.0,,,0.0,,0.0,,,,,,,,,
CC(=O)Nc1sc(C)c(C)c1C(=O)OC1CCOC1=O,CID3000068,0.0,,0.0,,,,,,0.0,,,,,,,,
O=C(COC(=O)CSc1cc(Cl)ccc1Cl)NCc1ccc2c(c1)OCO2,CID4102642,,,,,,,,,,,,,,,0.0,,
CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(C)s2)c1C,CID2507284,,,,,,,,,,,,,,0.0,,,
Cn1c(=O)c([N+](=O)[O-])c(NCc2ccccc2)c2ccccc21,CID2786644,,,,,,,,,,,,0.0,,0.0,0.0,,
O=C(Nc1ccc(Cc2ccc(NC(=O)N3CCOCC3)cc2)cc1)N1CCOCC1,CID116583,,,,,,,0.0,0.0,,,,,,,,,
Cn1c(=O)c2c(ncn2CC(=O)N2CCOCC2)n(C)c1=O,CID146962,,,,0.0,,,,,,,,,,,,,
CS(=O)(=O)c1ccc2nc(NC(=O)CC3CCCC3)sc2c1,CID2666755,,,,,0.0,0.0,0.0,,0.0,,0.0,,0.0,,,,
CC(NC(=O)NC1CCCCC1)c1ccc2c(c1)OCO2,CID6466690,,,,,,,,,,,,,,,0.0,,
COc1ccc(NC(=O)CSC2CC(=O)N(c3ccc4c(c3)OCCO4)C2=O)cc1,CID666747,,,0.0,,0.0,,,0.0,,0.0,,,0.0,,,,
O=S(=O)(N=S(N1CCCCC1)N1CCCCC1)c1ccccc1,CID2830961,0.0,,0.0,,0.0,,0.0,,,0.0,0.0,0.0,,0.0,0.0,,0.0
O=C(C1=CC(c2ccc3c(c2)OCO3)CC(OCc2ccc(CO)cc2)O1)N1CCOCC1,CID6668556,,,,,,,,,,,,,,0.0,,,
CC1CCN(C(=O)C(NS(=O)(=O)c2cccc3nsnc23)c2ccccc2)CC1,CID3245343,0.0,0.0,,,0.0,,,,,,,,,,,0.0,0.0
O=C(CCCn1c(=S)[nH]c2ccsc2c1=O)NCc1ccco1,CID3245346,,,0.0,,0.0,,,,,,,,,,,,
O=C1NC(Cc2cnc[nH]2)C(=O)N2CCCC12,CID449094,,0.0,,0.0,,,0.0,,,0.0,,,,,,,
CCCn1c2ccccc2c2nnc(SCc3[nH]c(=O)[nH]c3C(=O)CCCCC(=O)OCC)nc21,CID2963035,,,,,,,,,,,,,,0.0,,,
Cc1cc(NC(=O)CSCc2ccccc2C)no1,CID2498562,,,,,,,,,,,,,,,0.0,,
O=C(c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCc2ccccc2C1,CID2909438,,,,,,,,,,,,,,0.0,,,
Cn1c(NC(=O)C2CCCO2)cc(=O)n(C)c1=O,CID2862888,,,,,,,,,0.0,,0.0,,,,,,
COc1ccccc1CN(C(=O)CCl)C(C(=O)NC1CCCCC1)c1ccncc1,CID5113740,,,,,,,,,,,,,,,0.0,,
Cc1nc(-c2cccc(NS(=O)(=O)c3ccc4ccccc4c3)c2)cs1,CID1363518,,,,,,,,,,0.0,0.0,,,0.0,,,
Cc1ccc2c(COC(=O)C3=COCCO3)cc(=O)oc2c1,CID2124192,,,,,,,,,0.0,,,,,0.0,,,
CC(C)(C)NC(=O)C(c1cccs1)N(C(=O)C(=O)NC1CCCC1)c1ccccc1F,CID3219981,,,,,,,,,,,,,,,0.0,,
O=C(CSc1nc(N2CCCCC2)nc(N2CCCCC2)n1)c1ccccc1,CID1263560,0.0,,,,0.0,,,,,,0.0,,,,,,
O=C(NNC(=O)c1oc2ccccc2c1-n1cccc1)c1ccco1,CID1480743,,,,,,,,,,,,,,,0.0,,
O=C(Nc1nc2ccc(S(=O)(=O)N3CCCC3)cc2s1)C1CCCCC1,CID1298574,0.0,,,0.0,,,,,0.0,,0.0,0.0,,,,,
COc1ccc(C(=O)Nc2ccc(C(=O)Nc3nccs3)cc2)cc1[N+](=O)[O-],CID1925730,,,,,,,,,,,,,,0.0,0.0,,
O=C(CCc1ccccc1)NCCCN1CCOCC1,CID653056,0.0,0.0,,,,,0.0,,,,,0.0,,,,,
CN(C)S(=O)(=O)N1CCN(CC(O)COc2ccc3cc(Br)ccc3c2)CC1,CID2981975,,,,,,,,,0.0,,,,,,,0.0,
O=[N+]([O-])c1ccc(-c2cc(-c3ccncc3)nc3ccc4ccccc4c23)cc1,CID2247630,,,,,,0.0,,,,,,,,,,,
Cc1ccc(/C=N/n2cnc3sc(C)c(C)c3c2=O)o1,CID2368352,,,,,,,,,,,,,,,0.0,,
CCCN1/C(=C(/C#N)C2=NS(=O)(=O)c3ccccc32)N(C)c2ccccc21,CID2321043,0.0,,,,,0.0,,0.0,,0.0,,,,,,0.0,
Nc1c(C(=O)c2ccccc2)sc2c1c(=O)[nH]c(=O)n2-c1ccccc1,CID2101058,,,,,,,,,,,,,,0.0,,,
COc1ccc(CN(CCCN2CCOCC2)S(=O)(=O)N(C)C)cc1OC,CID665620,,0.0,0.0,0.0,,,,,,,0.0,,,,,,
Cc1[nH]c(=O)c(C#N)cc1-c1ccncc1,CID4197,,,,,,,,0.0,,,,,,0.0,,,
COc1ccc(S(=O)(=O)N(Cc2cccs2)C2CCCC2)cc1,CID665629,,,,,,,0.0,,,,,,0.0,,,,0.0
Cc1nonc1C(=O)N/N=C/c1ccncc1,CID690398,,,,,,,,,,,,,,,0.0,,
O=C(CSc1nnc(-c2cccnc2)n1Cc1ccccc1)NCc1ccco1,CID648066,0.0,,0.0,0.0,,,0.0,0.0,,0.0,0.0,,,,,,
COC(=O)c1ccc2c(c1)SC1=C(CCCC1=O)N2,CID1258835,,,,,0.0,,0.0,,,,,0.0,,,,,
CC1=C(C)CC(C(=O)N2CCN(Cc3ccccc3)CC2)C(C(=O)O)C1,CID2912153,,,,,,,,,,0.0,,,,,,,0.0
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnnn3C)C2)cc1,CID3240269,,,,,,,,,,,,,0.0,,,0.0,0.0
Cc1ccc(S(=O)(=O)NCCNC(=O)CN2CCCC2)cc1,CID3240260,,,,,0.0,,,,0.0,,,,,0.0,,0.0,
Cn1c(-c2ccc(CN3CCCCC3)o2)nc2ccccc21,CID665081,0.0,,,,,,0.0,,0.0,,,0.0,,,0.0,0.0,
O=C(Nc1ccc2c(c1)OCO2)C1C2C(=O)N(C3CCCCC3)C(=O)C2C2c3ccccc3C=CN12,CID665082,,,0.0,,,,,,,,0.0,,,,,,
CCCc1cc(=O)oc2c(C)c(OCC(=O)c3ccc(N4CCCC4)cc3)ccc12,CID2205601,,,,,,0.0,,,,,,,,,,,
COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C/NCc2ccccc2)cc1,CID11979308,,,,,,,,,,,,,,0.0,,,
COCCNC(=O)C(OC(=O)CC1Sc2ccccc2NC1=O)c1ccccc1,CID3228554,,,,,,,,,,0.0,,,,,,,
O=C(CC1Sc2ccccc2NC1=O)OC(C(=O)NCCc1ccccc1)c1cccnc1,CID3228559,,,,,,,,,,,0.0,,,,,,
CCN1CCN(C(=O)Nc2ccc(Cc3ccc(NC(=O)N4CCN(CC)CC4)cc3)cc2)CC1,CID1157568,,0.0,0.0,,,,,,,,,,,,,0.0,
O=C(NCCOC(=O)c1cccs1)c1cccnc1,CID649732,,0.0,,0.0,,,,0.0,,0.0,,,,,,0.0,
Cc1ccc(C)c(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NC(C)(C)C)c2ccsc2)c1,CID3197966,,,,,,0.0,,,,,,,,,,,
O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1,CID3240519,,,,,,,,,,0.0,,,,,,,
Cn1c(=O)c2c(nc(SCc3ccccc3)n2Cc2ccc(Cl)cc2)n(C)c1=O,CID1102623,,,,,,,,,,,,0.0,,,,,
O=C1CCC(=O)N1c1ccccc1-c1ccccc1,CID683416,,,,,,,,0.0,0.0,,,,,,,,
O=C(NCc1ccc2c(c1)OCO2)c1ccccn1,CID2161731,,,,,,,,,,,,,0.0,0.0,,0.0,
COc1ccccc1NC(=S)N1CCC(NC(=O)C23CC4CC(CC(C4)C2)C3)CC1,CID3218662,,,,,,,,,,,,,,,0.0,,
O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)NCCc1ccccc1,CID3404486,,,,,,,,,,,,0.0,,,,,
CN1C(=O)CCC1(O)c1ccccc1,CID211451,,,,,,,,0.0,,,,,,,,,
Cc1ccc(NC(=S)NNC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1Cl,CID12004897,,,,,,,,,,,,,,,0.0,,
COc1cc(OC)cc(-c2nc3ccccc3c(=O)n2OC(=O)c2ccccc2C)c1,CID12004894,,,,,,,,,,,,,,,0.0,,
Cc1noc(C)c1C(=O)Nc1ccccc1-c1ccccc1,CID1247025,0.0,,0.0,,0.0,,,0.0,,,0.0,,0.0,,,,
O=C1c2ccccc2C(=O)N1CCN1CCOCC1,CID779502,,0.0,0.0,,,0.0,,,,0.0,,,,,0.0,,
O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CCCC1,CID2946727,,,,,0.0,,,,,0.0,,,0.0,,,,
CCOC(=O)N1CCC(N2C(=O)c3ccc(C(=O)NCc4ccco4)cc3C2=O)CC1,CID5308014,,,0.0,0.0,,,,,,,,,,,,,
CC(=O)c1c(C)[nH]c(C(=O)N2CCN(c3ncccn3)CC2)c1C,CID5308010,,,0.0,,,,0.0,,0.0,,,,,,,,
Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)N2CCc3ccccc3C2)CC1,CID5308011,0.0,,,,,,,,,,,,,,,,
O=C(/C=C/c1ccccc1)NC(=S)Nc1cccc(NC(=O)c2ccco2)c1,CID2269764,,,,,,0.0,,,,,,,,,,,
N=c1oc2ccccc2cc1C(=O)N/N=C/c1ccccc1,CID1212494,,,,,,0.0,,,,,,,,,,,
CCCn1c(CC)nc([N+](=O)[O-])c1S(=O)(=O)c1ccccc1,CID901979,,,,,,,,,,,,,,,0.0,,
O=S(=O)(c1cccs1)N1CCN(Cc2nc3ccccc3s2)CC1,CID2563402,0.0,,,,0.0,,,,0.0,0.0,,,,,,,
O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(-c2ccccc2Cl)o1,CID2951896,,,,,,,,,,,,,,,0.0,,
O=C(CSc1nnc(-c2cccnc2)n1CCc1ccccc1)N1CCCCC1,CID645730,0.0,,0.0,0.0,0.0,0.0,,,,,,,,,,0.0,
O=C(c1ccncc1)N(Cc1ccccc1)Cc1nc(=O)c2ccccc2[nH]1,CID645738,0.0,0.0,,0.0,,,,,,,,,0.0,,0.0,,
O=c1/c(=C/c2cccn2-c2ccccc2)sc2nc3ccccc3n12,CID659698,0.0,0.0,,,,0.0,,,,,,,,0.0,,,
CN1CCc2c(sc3nc(SCC(=O)N4CCOCC4)nc(N)c23)C1,CID664313,,0.0,,,,,,,,,,,,,,0.0,
CC1(C)Cc2[nH]c(=O)c(C#N)cc2CS1,CID659691,,0.0,,,0.0,0.0,,,,,,,,,,,
O=C1C2CC=C(Cl)CC2C(=O)N1CC1OCCc2ccccc21,CID2921866,,,,,,,,,,0.0,,,,,,,
CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)C(C)N1C(=O)NC(C)(c2ccc(Cl)cc2)C1=O,CID4837190,,,,,,,,,,,,,,,0.0,,
Cc1nn(C)c(C)c1NC(=O)C12CC3CC(CC(C3)C1)C2,CID4381372,,,,,,,,,,,,,,0.0,,,
N#Cc1nc(Cc2cccc3ccccc23)oc1N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID664315,0.0,,0.0,,,,,0.0,0.0,0.0,0.0,0.0,0.0,,,,0.0
Nc1cc(-c2cccc(F)c2)nn1S(=O)(=O)c1cccc2nsnc12,CID5309362,,,,0.0,,,,,,,,,,,,0.0,
Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1,CID1326689,0.0,0.0,,,,,,,,,,,,,,,
O=c1c2ccccc2nnn1CSc1nnc(-c2ccc3c(c2)OCO3)o1,CID2109668,,,0.0,,,,,0.0,,,,,,,,,
Cn1c(C(=O)N2CCN(c3nc4ccccc4s3)CC2)cc2sccc21,CID647992,0.0,0.0,0.0,0.0,0.0,,0.0,,,,0.0,,0.0,0.0,0.0,,
O=C(Nc1ccccc1)NC1(C(=O)N2CCN(c3ncccn3)CC2)CCCCC1,CID647995,,,0.0,,,,,,,,,,0.0,,,,0.0
COc1ccccc1CCNCc1cc2c(cc1[N+](=O)[O-])OCO2,CID1723513,,,,,,,,,,,,0.0,,,,,
Cc1cc(NCc2ccccc2)nc2ccccc12,CID273577,,,,,,,,,0.0,,,,,,,,
O=C(NCCCN1CCN(c2ccccc2F)CC1)C1CCN(S(=O)(=O)c2cccs2)CC1,CID3238380,,,,0.0,0.0,,0.0,,,,,,,,,,
O=C(NCc1ccco1)c1cc(-c2cccs2)on1,CID3238382,0.0,0.0,0.0,,0.0,,,0.0,,,0.0,,,,,,
Cn1cc(C(=O)NC2CCCCCC2)c(=O)c2cc(S(=O)(=O)N3CCCC3)ccc21,CID3238383,,,0.0,,0.0,,,0.0,,0.0,,,0.0,,,,
CC1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccco2)cc1,CID3189892,,,,,,,,,,,,,,0.0,,,
CC1(C)CC(=O)C(=CN2CCN(C(=O)c3ccco3)CC2)C(=O)C1,CID870796,,0.0,,,,,,,,,,,,,,,
Clc1ccc(-c2ccc(-c3nn4c(-c5ccco5)nnc4s3)o2)cc1,CID1034418,,0.0,0.0,,,,0.0,,,,0.0,,,,,,
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N\C(=O)c1c(-c2ccccc2Cl)noc1C,CID2160948,,,,,,,,,,,,,,0.0,,,
COc1ccc(-c2nc(C#N)c(NCc3cccnc3)o2)cc1OC,CID941801,,,,,,,,,,0.0,,0.0,,,0.0,,
COc1ccc(NC(=O)CN(C)C(=O)c2oc3ccccc3c2C)cc1,CID2567409,,,,,,,,,,,,,,0.0,,,
O=C(CSc1nnnn1C1CCCCC1)N1CCc2ccccc21,CID651695,0.0,0.0,,,0.0,,0.0,0.0,,,0.0,,,,,0.0,
COC(=O)c1ccc(C(C(=O)NCc2ccccc2)N(Cc2ccco2)C(=O)c2cnccn2)cc1,CID651693,,,,,,,0.0,,,,,0.0,,,,,
COc1ccc(C2CC3(CC(C)(C)NC(=O)N3)Oc3cc(O)ccc32)cc1,CID651692,,,,0.0,,,,,,,,0.0,,,,,
CS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccco2)cc1)c1ccccc1,CID1107707,,0.0,,,0.0,,,0.0,,0.0,0.0,,0.0,,,,
COc1ccc(Br)cc1S(=O)(=O)NNC(=O)c1c(C)nc2ccccn12,CID983426,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccc2c(c1)OCO2)N1CCN(c2ncccn2)CC1,CID971830,,0.0,0.0,0.0,,,0.0,,,,0.0,,,,,,
Cc1ccc(S(=O)(=O)c2c(N)n(CC3CCOC3)c3nc4ccccc4nc23)cc1,CID2999958,,0.0,,,,,,0.0,,,,,,,,,
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OC1CCOC1=O,CID2999950,,0.0,,0.0,,0.0,,,,,0.0,,0.0,,,0.0,0.0
c1ccc(N2CCN(C3CCSC3)CC2)cc1,CID2846707,,,,0.0,,,,,,,,,,,,,
O=C1N=C(NNC(=O)c2cccc3ccccc23)S/C1=C\c1ccccc1OCc1ccccc1,CID5762895,,,,,,0.0,,,,,,,,,,,
Cc1ccc(/C=C2\C(=O)NC(=O)N(CCc3ccc(F)cc3)C2=O)s1,CID1319707,,,,,,,,,,,,,,0.0,,,
CN(C(=O)c1ccc(Cl)cc1)C1=CCCCC1CCC#N,CID657746,,,,,,,0.0,,,,,,0.0,,0.0,0.0,0.0
O=C(NCc1ccco1)c1cccn2c(=O)c3cc4ccccc4cc3nc12,CID3507700,,,,,,0.0,,,,,,,,,,,
CCn1c(SCc2nc(=O)c3ccccc3[nH]2)nnc1-c1cccnc1,CID1310627,0.0,,,,0.0,,,,,,0.0,,,,,,
O=C(CN1C(=O)NC2(CCCCCCC2)C1=O)N1CCN(C(=O)c2ccco2)CC1,CID2479170,,,,,,,,,0.0,,,,,,,,
Cc1nc2sccn2c1-c1nc(C2CC2)c(C(=O)c2ccc3c(c2)NC(=O)CO3)s1,CID2998029,0.0,0.0,0.0,,0.0,,,,,,0.0,,,,,0.0,0.0
O=C(C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1)N1CCN(c2ccccc2)CC1,CID646218,,,,,,,,,,,,,0.0,,,0.0,0.0
O=C(CN1C(=O)c2ccccc2C1=O)NCC1COc2ccccc2O1,CID2738648,,,0.0,,,,0.0,0.0,,,,,0.0,,0.0,,
CC(C)c1ccc(NC(=O)COc2ccccn2)cc1,CID2367711,,,,,,,,,,,,,,0.0,,,
O=C1CSC(c2cn(-c3ccccc3)nc2-c2cccs2)N1CC1CCCO1,CID2999373,,,,,,,0.0,,,,,,0.0,,,,
CCn1c2ccccc2c2cc(NC(=O)COC(=O)C3CCC(=O)N3)ccc21,CID2999374,,0.0,0.0,,0.0,,,,,,,,,,,,
Cc1cc(NC(c2cccnc2)c2ccc3cccnc3c2O)no1,CID2999375,,,,,,,0.0,0.0,,,,0.0,,,,,
Cn1c(O)c(Sc2ccc(Cl)cc2)c(=O)c2ccccc21,CID825185,,,,,,,,,,,,,,0.0,,,
CN(CC(=O)N1CCCCCC1)S(=O)(=O)c1cccc2cccnc12,CID5307309,,0.0,,,,0.0,,0.0,,,,,,,,,
CN(CC(=O)NC1CCCCCCC1)S(=O)(=O)c1cccc2cccnc12,CID5307303,,,,,,0.0,,,,,,,,,,,
CCC(=O)N1CCCc2cc(S(=O)(=O)N3CCN(c4ncccn4)CC3)ccc21,CID5307302,,,,,,0.0,,,,,,,,,,0.0,
Cn1c(C(=O)NCCCN2CCCCCC2)cc2c(=O)n(C)c3ccccc3c21,CID5307300,,,,,,,,,,0.0,,,,,,,
C=CCN1C(=O)/C(=N\NC(=S)Nc2ccc(OC)c(Cl)c2)c2ccccc21,CID6018530,,,,,,,,,,,,,,0.0,,,
O=C(NC1=NCCS1)c1cccc(NC(=O)c2ccco2)c1,CID977882,,,,0.0,0.0,,,,,0.0,0.0,,0.0,,,,
CC1(C)CC(=O)C(=CNCCN2CCN(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)C(=O)C1,CID2882414,,,,,,,,,0.0,,,,,,,,0.0
Cc1ccc(S(=O)(=O)N2CCC(=O)N(C(CO)Cc3ccccc3)CC2)cc1,CID6096756,,,,,,,,,,,,,,0.0,,,
Cc1ccc(-c2cc(C(=O)NCc3ccco3)c3ccccc3n2)o1,CID3237608,0.0,,,0.0,,,0.0,,,,,0.0,,,,,
COc1ccc(N2CCN(C(=O)c3ccc4c(=O)n(CC5CCCO5)c(=O)[nH]c4c3)CC2)cc1,CID3237603,,,,,,,,,0.0,0.0,0.0,0.0,0.0,,,,
CCC(C)(C)n1nnnc1CN1CCc2ccccc21,CID1438509,,,,,,,,,,,,0.0,,,,,
O=C(CCC(=O)Nc1ccccc1Cl)NN/C=C1\C=Nc2ccccc21,CID6506511,,,,,,,,,,,,,,,0.0,,
Cn1c(C(=O)N2CCOCC2)cnc1Sc1ncc(C(F)(F)F)cc1Cl,CID1483350,,,,,,,,,,0.0,,,,,,,
COc1cccc2cc(C(C)N(CCCN3CCOCC3)C(=S)Nc3cc(C)cc(C)c3)oc12,CID16193407,,,,,,,,,,,,,,,0.0,,
O=C(Cn1cncc1-c1ccc([N+](=O)[O-])cc1)Nc1cccc2ccccc12,CID1337611,,,,,,,,,,,,,,,0.0,,
Cc1ccc2c(c1)N(CCCC(=O)NCC1COc3ccccc3O1)C(=O)CO2,CID3244585,,0.0,,,,,,,,,,,,,,,
Cc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2cc(C)on2)cc1,CID3244581,0.0,0.0,,,0.0,0.0,,,,,,,,,,,
CC(C)N(CCNC(=O)C1CCN(S(=O)(=O)N2CCOCC2)CC1)Cc1ccccc1,CID3244580,,,,,0.0,,,,,,0.0,,,,,,0.0
CCS(=O)(=O)N1CCC(C(=O)NCCCN2CCCCCC2)CC1,CID3244583,,,0.0,,,,,,,,,,,,,0.0,
CC12CCC(C(=O)N(Cc3ccccc3)Cc3ccccc3)(OC1=O)C2(C)C,CID2898174,,,,,,,,,,0.0,,,,,,,
O=C(CCc1ccccc1)NNC(=O)c1ccccn1,CID846347,,,,,,,,,,,,,,,0.0,,
O=C(O)c1ccc(CSCc2ccco2)cc1,CID690681,,,,,,,,,0.0,0.0,,,,,,,
Cc1ccc(C(=O)N(CC(=O)NC2CCCC2)Cc2cccs2)s1,CID649773,,,0.0,,0.0,,0.0,,,0.0,,0.0,,0.0,0.0,,
O=C(NC1CCCCC1)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1,CID1082902,,,,,,,,,,,,,,,0.0,,
O=c1c(-c2ccccc2)c(O)n2c3c(cccc13)CCC2,CID703165,,,,,,0.0,,0.0,,,,,,,,0.0,0.0
Cc1ccc2c(c1)cc(CN(Cc1cccnc1)C(=O)NCc1ccccc1)c1nnnn12,CID1459398,,,,,,,,,,0.0,,,,,,,
O=C(c1c(Cl)nc2sccn12)N1CCN(c2cccc(Cl)c2)CC1,CID2348921,,0.0,0.0,,,,,,,,,,,,,,
Cc1csc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)n1,CID3244361,,,,,,,,,,,,,,,,0.0,0.0
O=c1c2cc(N3CCOCC3)ccc2[nH]c(=S)n1CCCN1CCCC1,CID3244360,,,,,,,,,,,0.0,,,,,,
Cc1ccc2c(c1)N(CCC(=O)NCC1CCCO1)C(=O)CO2,CID3244367,,,,,,,,,,0.0,,,,,0.0,,0.0
CN1CCN(CCCNC(=O)C2CC(=O)N(C3CCCCC3)C2)CC1,CID3244366,,,0.0,0.0,,,,0.0,,,,,,,,0.0,0.0
CC1CC(NC(=O)c2ncn[nH]2)CC(C)(C)C1,CID2914105,,,,,,0.0,,,,,,,,,,,
c1ccc(-c2ccccc2-c2nc(-c3ccncc3)no2)cc1,CID1970518,,0.0,,,,,,0.0,,,,,,,,,0.0
CSc1nc(N)nc(SCCS(=O)(=O)c2ccc(Cl)cc2)c1C#N,CID2032243,,,,,0.0,,,,0.0,,,,,,,,
CCOc1ccccc1C1Nc2ccccc2NC2=C1C(=O)CC(c1ccc(OC)c(OC)c1)C2,CID2884488,,,,,,0.0,,,,,,,,,,,
CC1Cc2ccccc2N1C(=O)CN1CCC(C(N)=O)CC1,CID5296277,,,,,,,,,,,,,,,0.0,,
CCn1cc(Cl)c(C(=O)Nc2ccc3c(c2)OCCO3)n1,CID5296270,,,,,,,,,,,,,,0.0,,,
Cc1c(NC(=S)N/N=C/c2ccc(N(C)C)cc2)c(=O)n(-c2ccccc2)n1C,CID1191641,,,,,,,,,,,,,,0.0,,,
O=C(OCCNC1=NS(=O)(=O)c2ccccc21)C1CC(=O)N(c2ccc(Cl)cc2)C1,CID2929820,0.0,,,,0.0,,,,,,,0.0,,,0.0,,
O=C1C2C(C(=O)N1CC1CCCO1)C1C=CC2C12CC2,CID2929827,,,,,,,,,,0.0,,,0.0,,,,0.0
CC(Oc1ccc(Cl)cc1)c1ccnn1S(=O)(=O)c1ccccc1,CID3799510,,,,,,0.0,,,,,,0.0,,,,,
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C1CC=CCC1,CID2874327,,,,,,,,,,,,,0.0,,,0.0,0.0
O=C(Oc1ccccc1)c1cccc(COC(=O)c2cnccn2)c1,CID973411,,,0.0,,,,0.0,0.0,,0.0,,,,0.0,,,
O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1cccnc1,CID797659,,,,,,,,,,,,,,,0.0,,
O=C(/C=C/c1ccccc1Cl)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1,CID1105815,,,,,,,,,,,,,,,0.0,,
O=C1N=C(N2CCOCC2)S/C1=C\C=C/c1ccccc1,CID1926999,,,,,,0.0,,,,,,,,,,,
COC(=O)c1c(C)oc2ccc(N(C(=O)c3ccncc3)S(=O)(=O)c3ccc(C)cc3C)cc12,CID992531,,,,,,,,,,,,,,0.0,,,
CCOc1c(C(N)=O)c(-c2ccccc2)c2c(=O)[nH]c3ccccc3n12,CID664844,,,,,,,,0.0,,,0.0,,,,,0.0,0.0
Nc1c2c(nc3ccn(Cc4ccccc4)c(=O)c13)CCC2,CID664841,0.0,,,,,,0.0,,,,0.0,0.0,,,,,
O=C(COc1ncnc2sccc12)N1CCc2ccccc2C1,CID2100259,,0.0,,,,,,,,0.0,,0.0,,,,,
CCOC(=O)c1c(N)n(CCN2CCCCC2)c2nc3ccccc3nc12,CID1888166,,0.0,,0.0,,,,0.0,,,,,,,,0.0,0.0
COCCn1c(C)cc(C(=O)COC(=O)c2cc3c(s2)CCC3)c1C,CID2552695,,,,,,,,,,,,,0.0,,,0.0,0.0
CC1CCC2(CC1)NC(=O)N(Cc1nc(-c3ccccc3)no1)C2=O,CID2093698,,0.0,,,,0.0,,,0.0,,,,0.0,,,,
COc1ccc(C(=O)COC(=O)CCCn2c(=O)oc3ccccc32)cc1,CID2649806,,,0.0,,,,0.0,,,,,,0.0,,,,
O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1cc(-n2cnnc2)ccc1Cl,CID1017691,,,,,,0.0,,,,,,,,,,,
Brc1c(NC2=NCCN2)ccc2nccnc12,CID2435,0.0,,,,,,0.0,,0.0,,,,,,,0.0,0.0
CCOC(=O)C1=C(CSc2nc(-c3ccccc3)ccc2C#N)OC(N)=C(C#N)C1c1cccnc1,CID4272091,,,,,,,,,,0.0,,,,,,,
CCN(CC)c1nc2ccccc2nc1-n1nc(C)cc1C,CID1959373,,,,,,,,,,,,0.0,,,,,
O=C(NCc1cccs1)c1nn2cccnc2c1Cl,CID1256185,0.0,0.0,,,0.0,,,,,,,,,,,,0.0
COc1ccc2c(CC(=O)N3CCN(S(=O)(=O)c4cccs4)CC3)coc2c1,CID2551521,,0.0,,0.0,0.0,,0.0,,0.0,,0.0,,,,0.0,,
c1cc(-c2noc(-c3ccc4c(c3)OCO4)n2)ccn1,CID892421,,,0.0,,,,,0.0,,0.0,0.0,,,,,,
Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c(C)o1,CID1246241,,,,0.0,0.0,,,,0.0,,0.0,,0.0,0.0,,,
O=C1c2ccccc2C(=O)N1c1cccc(-c2nc3ccccc3o2)c1,CID728385,0.0,,0.0,0.0,,,0.0,0.0,,,,,,0.0,,,0.0
COc1cccc(-c2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)c1,CID2455800,,,,,,,,,,,,,,0.0,,,
Cn1ncc(C#N)c1/N=C/N1CCCCC1,CID918469,,0.0,,,,,,0.0,,,,,0.0,,,,
O=C(c1csc2ccccc12)N1CCN(c2ccccn2)CC1,CID753206,0.0,0.0,,,0.0,,0.0,,,,,,,,,,0.0
Cc1noc(C)c1CSc1nnnn1-c1ccc(Cl)cc1,CID2377361,,0.0,0.0,0.0,0.0,,,,,,0.0,0.0,,,,,0.0
O=C1/C(=C/Nc2ncn[nH]2)C=Cc2ccccc21,CID5338471,,,,,,,,,,,,,,,,0.0,
O=C(CSc1nc2ccccc2n1S(=O)(=O)c1ccccc1)N1CCCCC1,CID992147,,,,,,,,,,,,,,0.0,0.0,,
O=C(CS(=O)(=O)c1ccc2ccccc2c1)Nc1ccccc1Cl,CID992149,,,,,,,,,,,,,,0.0,,,
O=C(CCc1ccccc1)Nc1nn[nH]n1,CID887745,,,,,,,,,,,,,,,0.0,,
O=C(CNC(=O)c1cccs1)NCC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1,CID3116657,,,,,,,,,,,,,,0.0,,,
O=C1OC(Cc2ccncc2)C(=O)C1=C1NCCCN1,CID3649582,,,,,,,,,,,,,,,0.0,,
CS(=O)(=O)N1CCCC(C(=O)NCc2ccccn2)C1,CID2987428,,0.0,,,,,,,,,0.0,,,,,,0.0
O=C(NCCN1CCOCC1)N1CCOCC1,CID654403,,0.0,,,,,,,,,,,,,,0.0,
O=C(c1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1)N1CCOCC1,CID654402,,,,0.0,,0.0,,,,,,,,,,0.0,0.0
CC1(C)Oc2ccc(C(=O)NC3CCCC3)cc2N(CC(=O)NC2CCCC2)C1=O,CID654409,,,0.0,,,,,,0.0,,,0.0,,,,,0.0
Nc1nc(N2CCCCC2)nc(N(c2ccccc2)c2ccccc2)n1,CID712288,,,,,,,,,,0.0,,,,,,,0.0
CCOc1nc(OCC)nc(-n2cc(-c3ccccc3)nn2)n1,CID712286,,0.0,,0.0,,,,,,,,,,,,0.0,
CCOC(=O)c1c(NC(=O)CSc2nnc3c(n2)[nH]c2ccc(F)cc23)sc(C(C)=O)c1C,CID5770187,,,,,,0.0,,,,,,,,,,,
Cc1cccnc1NC1=NCC(C)S1,CID2968945,,,,0.0,,,,,,,,,,,,,
O=C1C2CC=CCC2C(=O)N1c1n[nH]c(CCc2ccccc2)n1,CID2975955,,,,,,,,,,,0.0,,,,,,
O=c1[nH]cnc2scc(-c3ccc(-c4ccccc4)cc3)c12,CID727651,,,,,,0.0,,,,,,,,,,,
CC(C)(C)c1ccc(C(=O)N2CCCCCC2=O)cc1,CID727658,,,,,,,,,0.0,,,,,,,,
CCOC(=O)N1CCN(C(=O)C2COc3ccccc3O2)CC1,CID2900028,,,0.0,,,,,,,,,,0.0,,,,
CC(Oc1ccccc1)C(=O)NNC1=c2cc([N+](=O)[O-])ccc2=NC1=O,CID5726710,,,,,,,,,,,,,,0.0,,,
O=C(NN1CCOCC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1,CID2576565,,,,,,,,,,,,,,0.0,,,
O=C(c1cccc(COc2ccc(Cl)cc2Cl)c1)N1CCN(c2ccccn2)CC1,CID1314815,0.0,,,,,,,,,,,,,,,,
O=C(CCC(=O)c1cccs1)OCc1nnc(-c2ccccc2)o1,CID2080380,,,0.0,,,,,0.0,0.0,,0.0,,0.0,0.0,,,
O=C(CSc1ccc(Cl)cc1)OCc1nnc(-c2ccccc2)o1,CID2080382,0.0,0.0,,0.0,0.0,,,,,,0.0,,,,0.0,,0.0
O=C(COc1ccc(Br)cc1)OCc1nnc(-c2ccccc2)o1,CID2080384,0.0,,,,,,0.0,,0.0,,0.0,0.0,,,0.0,0.0,0.0
Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)n1,CID2080388,,,,,,,,,0.0,,,,,,,0.0,0.0
Cc1cn(-c2ccc(Br)cc2)[nH]c1=O,CID687960,0.0,,,,,,,,,,,0.0,,,0.0,0.0,0.0
O=C(Nc1ccc(Cc2ccc(NC(=O)C3CC3)c(O)c2)cc1O)C1CC1,CID1293415,0.0,0.0,,,,,,0.0,,,0.0,,,,,0.0,
O=C(O)CC(c1cccc2ccccc12)n1cccc1,CID5194034,,,,,,,,,,,0.0,,,,,,
CC1=C(C(=O)N2CCN(c3cc(C)ccc3C)CC2)C2(CCCCC2)OC1=O,CID15945503,,,,,,,,,,,,,,,0.0,,
FC(F)(F)c1ccc(Sc2nnc(-c3cccs3)n2CC2CCCO2)nc1,CID2998333,,,,,0.0,,0.0,,,,,,,,,,
CCN1C(=O)/C(=C/C=C2/Sc3ccc4ccccc4c3N2CCO)SC1=S,CID2174846,,,,,,,,,,,,,,0.0,,,
O=C(c1nn2cccnc2c1Cl)N1CCN(c2ccccc2)CC1,CID1258119,,0.0,,,,,,,,,,,,,,,
N#Cc1nc(-c2ccco2)oc1NCCCN1CCOCC1,CID663785,,0.0,,0.0,,,,,0.0,,0.0,,,,0.0,,
COC(=O)C(Cc1ccccc1)NC(=O)NCC1CCCO1,CID663787,,,,,,,,,,,,,,,,,0.0
O=C1c2ccccc2C(=O)c2c1cccc2N1CCN(Cc2ccccc2)CC1,CID7071231,,,,,,,,,,,,,,0.0,,,
O=C(OC1CCOC1=O)c1ccc2ncsc2c1,CID2998336,,,,,,,,0.0,0.0,,,,,,,,0.0
O=C(COC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1nc2ccccc2s1,CID2448119,,,,,,,,,,,,,,,0.0,,
Cc1nc(-c2ccc(C(=O)N3CCOCC3)cc2)cs1,CID2968134,,,,0.0,,,,,,,,0.0,,,,,0.0
OC1(c2ccc(F)cc2)CC2CCC(C1)N2Cc1nnnn1C1CCCCC1,CID646509,,,0.0,,,0.0,,,,,,,,,,0.0,
Nc1nc(NC(=O)c2cccs2)nn1-c1ccccc1,CID665780,,0.0,,0.0,,,,,,0.0,0.0,,,,,0.0,
c1ccc(-c2ccc(OCCOCCn3cncn3)cc2)cc1,CID2199683,,0.0,0.0,0.0,,,0.0,,,,,,,,,,
CC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(C=O)Cc1ccccc1,CID72430,,,,,,,,0.0,,,,,,,,,
CN(C)C(=O)COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccs1,CID2104234,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1[nH]c(COC(=O)c2ccccc2NC(=O)c2ccco2)c(C(=O)OCC)c1C,CID2998550,,,0.0,,,,,0.0,,,,,,,,,
CC(Sc1nnc2ccccn12)C(=O)Nc1ccc(Cl)cn1,CID2998556,,0.0,0.0,0.0,0.0,,,,,,,,,,,,0.0
O=C(C1CSC2(c3ccc(F)cc3)CCC(=O)N12)N1CCCCCC1,CID2998559,,,0.0,,,,,0.0,,,,,,,,,0.0
O=C1OCCC1Sc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1,CID2998558,,0.0,0.0,,,,0.0,,,,0.0,,0.0,,,,
O=C(O)CSc1nnc(Cc2ccccc2)n1Cc1ccccc1,CID650891,0.0,0.0,,,0.0,,,,,,,,,0.0,,0.0,0.0
CCC(c1nnc(SCC(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)o1)N(C)C,CID2999600,,0.0,,,0.0,,,0.0,,,,,,,,,
Cc1sc2nc(C(C)Nc3ccccc3N3CCOCC3)[nH]c(=O)c2c1C,CID2999609,0.0,,0.0,0.0,,0.0,0.0,0.0,,,,,0.0,,,,0.0
c1ccc(-n2c(SCc3ccncc3)nnc2-c2ccco2)cc1,CID647418,0.0,,,,0.0,0.0,0.0,,,,,,,,,,
CCCc1ccc(OCc2ccc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)o2)c(OC)c1,CID999910,,,,,,,,,,,,0.0,,,,,
CCCCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nc2ccsc2c1=O,CID3239592,,,,,0.0,,,,,,0.0,,,,,,0.0
O=C1CC(c2ccc3c(c2)OCO3)c2cc3c(cc2N1)OCO3,CID3236866,,,0.0,,,,,,,,,0.0,,,,,
CCOC(=O)N1CCC(NC(=O)C2CCN(c3ccc(N4CCOCC4)nn3)CC2)CC1,CID3239594,,,0.0,,,,,,,,,0.0,0.0,,,,
O=C(CSc1c2c(nc3ccc(Cl)cc13)CCCC2)N1CCN(C(=O)c2ccco2)CC1,CID3239595,0.0,0.0,,0.0,0.0,,,,,,,,,,,,0.0
O=C1CCCN1c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1,CID934461,,,,,,,,0.0,,,0.0,,,,,,0.0
Cc1cc(C(=O)Nc2ccccn2)no1,CID1247385,,0.0,,0.0,,,,,,,,,,,,,
O=S(=O)(NCCOC12CC3CC(CC(C3)C1)C2)c1cccc2nsnc12,CID585369,,,,,0.0,,,,,0.0,0.0,,0.0,0.0,,,
O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)N1CCN(c2ccccn2)CC1,CID2917103,,,,,,,,,,,,,,,0.0,,
O=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)N1CC=C(c2ccccc2)CC1,CID3241517,,,,,,,,,,0.0,,,,,,,
CN1CCN(CCCNC(=O)CCCOc2cc(=O)n(C)c3ccccc23)CC1,CID3241510,,,,,,0.0,0.0,,,,,,,,,,0.0
O=C1NC(=S)N(CCC2=CCCCC2)C(=O)/C1=C/NCc1cccnc1,CID5833390,,,,,,,,,,,,0.0,,,,,
Cc1cccc(COc2ncnc3nc[nH]c23)c1,CID901836,,,,,,,,,,,,,,,0.0,,
CCC1C(=O)CC(c2ccco2)NC1c1ccco1,CID2854802,,,,,,,,,,,0.0,,,,,,
O=C(NC1CCCCC1)C(O)C(O)C(=O)NC1CCCCC1,CID659308,,0.0,,0.0,0.0,,,,,,,,,,,,
O=C(Cc1cccs1)Nc1cccnc1,CID650269,,,0.0,,0.0,0.0,0.0,,0.0,,0.0,,0.0,,0.0,,
O=C(CCn1c(=O)sc2ccccc21)NCCN1CCOCC1,CID5310387,,0.0,,0.0,,,,0.0,,,,,0.0,,,,
O=C(NCCc1cn2ccsc2n1)C1CCCCC1,CID5310385,,,0.0,,,,,,,,0.0,,,,,,
Cn1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c(=O)n(C)c1=O,CID5310384,,,,,,,,0.0,,,,0.0,0.0,,,,
Cc1cccc(OCCN2CSC(=S)N(C)C2)c1,CID657917,,,0.0,0.0,0.0,,,,,0.0,,,,,,,
Cc1c(NC2=c3ccccc3=NC2=O)c(=O)n(-c2ccccc2)n1C,CID680103,0.0,,,0.0,,0.0,,,,,,,0.0,,,,
CCOc1cc(C2C(C#N)=C(N)SC(N)=C2C#N)ccc1OCCN1CCOCC1,CID2014552,,,,,,,,,,,,,,,,0.0,
Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)c1cc(C2CC2)on1,CID5309578,0.0,,0.0,,,,,,,,,,0.0,,,,
O=C(NC(=S)NCCCN1CCOCC1)c1ccco1,CID2303787,,,,,,,,,,,,,,,0.0,,
COc1cc2ccccc2cc1C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1,CID1181764,,,0.0,,0.0,,,,,,,,0.0,,,,
CCN1C(=O)OC2(CCCCC2)C1(C)O,CID3242887,,,,,,,,0.0,,0.0,,,,,,0.0,
Cc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)nc2c1c(=O)oc1ccccc12,CID3242885,,,0.0,,0.0,,,,,,,,,,,,0.0
Cc1ccc(/C=[N+](\[O-])c2ccc(N(C)C)cc2)c2nsnc12,CID794101,,,,,,,,,,,,,,,0.0,,
Cc1c(NC(=O)c2nn(C)c(=O)c3ccccc23)c(=O)n(-c2ccccc2)n1C,CID2113103,0.0,0.0,0.0,,,,,,,,,0.0,,,,,
CCN(CCNC(=O)CN1CCN(Cc2ccc(Cl)cc2)C1=O)c1ccccc1,CID3242889,,,,,,,,,,,,,0.0,0.0,,,
COc1ccc(NC(=O)C2CSC3c4ccccc4C(=O)N23)cc1,CID658683,,,,0.0,,,,,,,,0.0,0.0,,,,
Nc1ccc2c(c1)N1CCN=C1S2,CID658687,,,,,,,,,,,,0.0,,,,,
O=C1CS/C(=N\c2ccccn2)N1C1CCCCC1,CID650078,0.0,0.0,,0.0,0.0,,0.0,,,,,,,,,0.0,0.0
COc1ccc(N2CCN(C(=O)CSc3nnc(CNc4ccccc4)o3)CC2)cc1,CID650075,0.0,,,,,,0.0,,,,,,,,,0.0,0.0
Cc1cc(-c2ccccc2)nc2cc(C(=O)NCCCn3ccnc3)nn12,CID650076,,0.0,0.0,,,,,,,,,,,,,,
N#Cc1cc2cc3c(cc2nc1SCC(=O)OC1CCCCC1)OCO3,CID650077,,0.0,,,,,0.0,,0.0,0.0,,,,,,,
COc1ccccc1C(c1nnnn1C1CCCC1)N1CCN2CCCC2C1,CID650070,,,,,,,,,,0.0,,,,,,,
O=C(Nc1ccc2c(c1)oc1ccccc12)N1CCOCC1,CID650073,,,0.0,,0.0,,,,,,,0.0,0.0,,,,0.0
O=C(Nc1ccc2c(c1)OCO2)c1cn(Cc2ccc(F)cc2)nn1,CID648562,,0.0,,0.0,,,,,,,,,,,,,
Cc1nc(Nc2c(Cl)cccc2Cl)sc1C(=O)Nc1ccccc1,CID1971916,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccc(Cl)cc1)N1CC=CCC1,CID745157,0.0,0.0,0.0,,,,,,,0.0,,,,,,0.0,
Cc1cc(C(=O)CSc2nc3ccccc3n2CCC#N)c(C)n1Cc1cccs1,CID2998968,,,0.0,,0.0,,,,,,,,0.0,,,,0.0
Cc1c(NC(=O)C2CCCN2C(=O)c2cccs2)c(=O)n(-c2ccccc2)n1C,CID2998962,,,0.0,0.0,,,,,,,,,,,,,
O=C(COC(=O)c1n[nH]c2ccccc12)NC(=O)NC12CC3CC(CC(C3)C1)C2,CID2998963,,,,,,,,,0.0,,,,0.0,,,,0.0
O=C(c1ccccc1)N1CCN(c2ncnc3sc4c(c23)CCC4)CC1,CID1076192,,,,,,,,,,,0.0,,,,,,
NS(=O)(=O)c1ccc(CCNc2cc(=O)n(Cc3ccc(F)cc3)c(=O)[nH]2)cc1,CID3238225,0.0,0.0,,,,,,,0.0,0.0,,,,,,,
CCOC(=O)c1c(NC(C)=O)sc2c(O)c(CN3CCN(CC)CC3)ccc12,CID3238223,,,,,0.0,,0.0,,,0.0,,,,0.0,,0.0,
CN1C(=O)OC(C)(CCc2ccccc2)C1(C)O,CID3238221,,,0.0,,,,0.0,0.0,,0.0,,,,0.0,,,
O=C(COC(=O)c1ccccc1Nc1ccccc1)c1ccccc1,CID607001,,,,,,,,,,,,0.0,,,,,
O=C(NC1CCN(C(=O)NC2CCCCC2)CC1)c1ccco1,CID656103,0.0,,0.0,,,,,,0.0,,0.0,,,,,,
COc1ccc(OCC(=O)Nc2cccc(NC(=O)COc3ccc(OC)cc3)n2)cc1,CID1300515,,,,,,,,0.0,,0.0,,,,,,,
CCOC(=O)C1CCN(C(=O)c2cccc(C(=O)N3CCC(C(=O)OCC)CC3)c2)CC1,CID1087322,,,0.0,,,,0.0,,0.0,0.0,,,0.0,,,,0.0
O=C(NC1CCCC1)C(c1ccccc1F)N(C(=O)c1ccco1)C1CCCC1,CID656100,0.0,,0.0,,,,,0.0,,,,,0.0,,,,
O=C(COc1ccc(Cl)cc1)OCC(=O)N1CCCc2ccccc21,CID2337901,,,,,,,,,,,,,,,0.0,,
CC1CCN(c2c(NCc3ccc(C(=O)NCC4COc5ccccc5O4)cc3)c(=O)c2=O)CC1,CID5309668,0.0,,0.0,,,,,0.0,,,0.0,,,,,,
COc1cccc(-c2nc(CS(=O)CC(=O)NC3CC3)c(C)o2)c1,CID5309666,,,,,,0.0,,,,,,,0.0,,,,0.0
CCC(=O)N1CCCc2cc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)ccc21,CID5309665,,,,,,0.0,,,,,,,,,,,
Cc1c(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)C2c2ccco2)cnn1-c1ccccc1,CID5389306,,,,,,,,,0.0,,,,,,,,
Cc1ccc(C2/C(=C(\O)c3cnn(-c4ccccc4)c3C)C(=O)C(=O)N2CCN(C)C)o1,CID5389302,,,,0.0,,,1.0,,,,,,,,,,
O=C(c1ccc(C#CC2(O)CCCCC2)cc1)N1CCOCC1,CID2059978,,,0.0,,,,,,,,,,,0.0,,,
O=C(NCc1ccco1)c1cccc(-c2nnc(-c3ccccc3)o2)c1,CID2233287,0.0,,,0.0,,,,,,0.0,,,,0.0,,,0.0
CC(C)c1ccc(N(CC(=O)NCc2ccc(F)cc2)C(=O)c2csnn2)cc1,CID1452399,,,,,,,,,,,,,,,0.0,,
COC(=O)c1sccc1NC(=O)CSc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1,CID3807916,,,,,,,,,,,,,,,0.0,,
O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(S(=O)(=O)NCC2CCCO2)cc1,CID2963287,,,0.0,,0.0,,,,0.0,,,,,,,,
O=C1c2cccc3cccc(c23)C(=O)N1CCOc1ccccc1,CID2883231,,,,,,0.0,,,,,,,,,,,
COc1ccc(C2C(=O)N(C3CCCCC3)CC(=O)N2Cc2ccco2)cc1,CID3236458,,,,,0.0,,,0.0,0.0,,,,0.0,,0.0,,
CC1=CCC2C(=O)N(c3ccc(C(=O)N4CCCCCC4)cc3)C(=O)C2C1,CID2905309,,,,,,,,,,0.0,,,,,,,
COc1ccc(S(=O)(=O)NC(CC(=O)NCc2ccc3c(c2)OCO3)c2ccco2)cc1,CID3236454,,,,,0.0,,0.0,0.0,,,0.0,,,,,,
CCOC(=O)c1oc2ccc3c(c2c1C)C(=O)CC1(CCN(C(=O)OCC)CC1)O3,CID3236455,,,,,,,0.0,,,,,,,,,,
O=c1[nH]c(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)nc2sc3c(c12)CCC3,CID2690327,,,0.0,,0.0,,,,,,0.0,,,,,,
Cc1ccc(/C=C2\CCC3=C2OC(N)=C(C#N)C3c2ccc(C)cc2)cc1,CID5285231,,,,,,0.0,,,,,,,,,,,
CC(C)N1C(=O)CCC1C(=O)NC1CCCC1,CID3238436,,,,0.0,,0.0,,0.0,,0.0,,,0.0,,,0.0,0.0
O=C(CSc1nnnn1-c1ccccc1)Nc1ncc2c(n1)CC(c1ccccc1)CC2=O,CID4894936,,,,,,,,,,,0.0,,,,,,
Cc1nc(COC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cs1,CID2529544,,,0.0,0.0,0.0,,0.0,,0.0,0.0,0.0,,0.0,0.0,0.0,,0.0
O=C(Nc1nc2c(s1)C(=O)CCC2)c1ccccc1,CID877583,,0.0,,0.0,,,0.0,0.0,,,,0.0,,,0.0,,
Cn1cnnc1SCc1ccc(C(=O)n2ncc(C#N)c2N)cc1,CID2084089,,0.0,0.0,,0.0,,,,,0.0,,,1.0,0.0,1.0,,
CCc1nnc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)/C=C/c3ccc(C(C)C)cc3)cc2)s1,CID2247463,,,,,,,,,,,,0.0,,,,,
Cc1cc(C)n2[nH]c(=O)c(/N=N/c3ccc(S(N)(=O)=O)cc3)c2n1,CID7313810,,,,,,,,,,,,,,,0.0,,
O=c1[nH]c2cc3c(cc2cc1C(c1nnnn1CC1CCCO1)N1CCCCCC1)OCCO3,CID3183778,,,,,,,,,,0.0,,,,,,,
O=c1[nH]c2cc3c(cc2cc1C(c1nnnn1Cc1ccccc1)N1CCCCCC1)OCCO3,CID3183779,,,,,,,,,,0.0,,0.0,,,,,
Cc1ccc(NS(=O)(=O)c2cccc(C(=O)n3ncc(C#N)c3N)c2)c(C)c1,CID2084085,,0.0,,,,,,,,,0.0,,0.0,,,,
Cc1cc(C)n2nc(SCC(=O)c3ccc[nH]3)nc2n1,CID2093974,,0.0,,,,0.0,,,,0.0,,,,,,,
c1ccc(CCNC2=NCCCS2)cc1,CID2363238,,,,0.0,0.0,,,0.0,,,,,0.0,,,,
CC(=O)Cc1nsc(Nc2ccc3c(c2)OCCO3)n1,CID656109,,,,,,,,,,,,,0.0,,,0.0,
O=C1c2ccccc2C(=O)N1CCCC(=O)N1CCCc2ccccc21,CID977922,,0.0,,,,,,0.0,0.0,,0.0,,,,,,0.0
O=C(/C=C/c1ccc(Cl)cc1)NC(=S)NN1CCCCC1c1cccnc1,CID5904533,,,,,,,,,,,,,,0.0,,,
O=C(NNC(=O)C(c1ccccc1)c1ccccc1)c1cccs1,CID574179,,,,,,,,,,,,,,0.0,,,
Clc1ccccc1Cn1nnc(-c2cccs2)n1,CID934573,,,,,0.0,,,,,,,,,,0.0,0.0,0.0
O=C(Nc1nccs1)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1,CID3245792,,0.0,,,,,,,,,,,0.0,,,0.0,
COc1ccccc1C(=O)Nc1ccc(Oc2ncnc3sc(-c4ccccc4)cc23)cc1,CID1586875,,,,,,0.0,,,,,,,,,0.0,,
Nc1[nH]c(=S)[nH]c(=O)c1-c1ccccc1,CID951671,,,,,,,,,,,,,0.0,,,,
Nc1[nH]c(SCC(=O)N2CCCC2)nc(=O)c1-c1ccccc1,CID951672,,,,,,,,0.0,,0.0,0.0,,,,,0.0,
O=C(NC1CCCC1)c1cnn2c(C(F)(F)F)cc(-c3ccc4c(c3)OCO4)nc12,CID652094,0.0,,,,0.0,,,,,,,,,,,0.0,0.0
Cc1ccc(SCCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1,CID1306561,,,,,,,,,,,,,,0.0,,,
O=C1Nc2ccccc2C2=NC(CN3CCN(c4ccc(F)cc4)CC3)CN12,CID5707999,,,,,,,,,,,,0.0,,,,,
CCOC(=O)c1ccc(-c2ccc(C(=O)Nc3cccnc3)o2)cc1,CID878057,0.0,0.0,,,,,,0.0,0.0,,0.0,,,,,,
O=C(Cc1ccccc1)NCC(=O)N1CCCCCC1,CID2221811,,,,,,0.0,,,,,,0.0,,,,,
O=C(Nc1nnc(C2CC2)s1)c1cc(-c2ccccc2)nn1-c1ccccc1,CID2116697,,,0.0,,,,,,,,0.0,,,,,,
COc1ccc(C2OCC3(CO2)SC2=NCN(C)CN2C3=O)cc1OC,CID1362279,,,,,,0.0,,,,,,,,,,,
O=C(c1ccc(COCC(F)(F)F)o1)N1CCCCCC1,CID3240013,,,,,,,,,,,,,,,,,0.0
CCN1CCN(C(=O)c2sc3nc(C)nc(N4CCC(C)CC4)c3c2C)CC1,CID3240010,0.0,,,,,,,0.0,,,,,,,,,0.0
CN1CCN(c2ccccc2NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CCC2)CC1,CID3240016,,0.0,0.0,0.0,,,,,,,,,,,,0.0,0.0
Cc1ccc(N(CC(=O)N2CCn3c2nc2ccccc23)S(=O)(=O)c2c(C)n[nH]c2C)cc1,CID3240014,0.0,,,,,,,0.0,,,,,,,,0.0,0.0
CS(=O)(=O)N1CCCC(C(=O)NCCCN2CCC(Cc3ccccc3)CC2)C1,CID3240019,0.0,,,0.0,,,,,,,,,,,,,
COc1cccc(OC(C)c2ccnc3nc(/N=C/N(C)C)nn23)c1,CID3471370,,,,,,0.0,,,,,,,,,,,
O=c1[nH]c(-c2ccccn2)nc2sc(-c3ccccc3)cc12,CID2099944,,,,,,,,,,,,,,0.0,,,
O=c1c(Cl)c(N/N=C/c2ccc(Br)cc2)cnn1-c1ccccc1,CID2787935,,,,,,,,,,,,,,,0.0,,
Cc1cc(NC(=O)CSc2nc3c(c(=O)n2CCc2ccccc2)SC(C)C3)no1,CID4065616,0.0,0.0,,,0.0,,,,,,,,,,,,
O=C(CC1CCCC1)Nc1ccc2c(c1)CCC2,CID2673450,,,,,,0.0,,,0.0,0.0,,,,0.0,,,
C/C(CC(=O)NCc1ccco1)=N\NC(=O)C(c1ccccc1)c1ccccc1,CID3101330,,,,,,0.0,,,,,,0.0,,,0.0,,
CCOC(=O)Cn1cc(/C=N/N2C(=O)C3C4C=CC(C4)C3C2=O)c2ccccc21,CID2930345,,,,,,,,,,,,,,0.0,,,
COC(=O)C1=CN(CC2CCCO2)C=C(C(=O)OC)C1c1ccsc1,CID2906112,,,,,,,0.0,0.0,,0.0,,,,,,0.0,
COc1ccc(N/N=C2/CCCCC2=O)cc1,CID753926,,,,,,,,,0.0,0.0,,,,,,,
Cc1cc(-c2nnc(CCC(=O)N(CC3CC3)CC3CCCO3)o2)no1,CID16191599,,,,,,,,,,,,,,,0.0,,
Cc1cccc2cc(C#N)c(NCCNC(=O)NC3CCCCC3)nc12,CID647846,,,,,,,,,0.0,,,,,,,0.0,
O=C(c1csc(Cc2ccc(Cl)cc2)n1)N1CCOCC1,CID1472622,,,,,,,,,,,,,,,0.0,,
Cc1ccc(N2C(=O)/C(=C/c3cccc4ccccc34)SC2=S)cc1,CID2274060,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CCSc1nnc2ccccn12,CID1281408,,,,,,,,,,,,,,,0.0,,
COc1ccc(CCNC(=O)C2CC2)cc1OC,CID871142,,,0.0,,,0.0,0.0,0.0,,,0.0,,0.0,,,,
COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2nc3ccccc3n2C)cc1,CID1366204,,,,,,0.0,,,,,,,,,,,
CCCn1c(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)n[nH]c1=O,CID3924314,,,,,,,,,,,,,,0.0,,,
Cn1c(Cn2cnc3ccccc32)nc2ccccc21,CID659092,,,,,,,,0.0,,,,,,,,,0.0
O=C(N/N=C/c1ccccc1OCC(=O)N1CCCC1)C(=O)Nc1ccccc1F,CID3818470,,,,,,,,,,,,,,0.0,,,
O=C(NC(=S)Nc1ccc2oc(-c3cccnc3)nc2c1)c1cccc(Cl)c1,CID2281539,,,,,,,,,,,,0.0,,,,,
CCN1CCN(c2ccc([N+](=O)[O-])c(Sc3nc4ccccc4[nH]3)c2)CC1,CID2947809,,,,,,,,,,,,,,0.0,,,
C=CCn1c(SCC(=O)Nc2sc(C)c(C)c2C(=O)OCC)nnc1-c1sc(N)nc1C,CID2947800,,0.0,,0.0,0.0,,,,,,,0.0,,,,,
CCOC(=O)c1cc(NC(=O)N2CCOCC2)c(C)nc1C,CID2947802,,,0.0,0.0,,,,0.0,,,0.0,0.0,,,0.0,,
O=C(CSc1nc2ccccc2[nH]1)NCCN1CCCCC1,CID752452,,0.0,,,,,,,,0.0,,,,,,,
Cc1cc(N2CCOCC2)[nH]c2cc(=O)ccc1-2,CID6324536,,,,,,,,0.0,,,,,,,,,
O=C1C=CC(=C2C=C(C(=O)Nc3c(F)cc(F)cc3Br)NO2)C=C1,CID6324537,1.0,,,,,,,,,,,,,,,,
CCCS(=O)(=O)N1CCN=C1SCc1cccnc1,CID2148800,,,,,,,,,,,,,,0.0,0.0,,
O=C(C1CCC(=O)N1C1CCCC1)N1CCC2(CC1)OCCO2,CID3477356,,,,,,0.0,,,,,,,,,,,
O=C(NCc1ccccc1)NC(=O)c1ccccc1,CID661220,0.0,,,,,0.0,,,,,,0.0,0.0,,,0.0,
O=c1c2c3nc4ccccc4nc3n(CC3CCCO3)c2ncn1CCc1ccccc1,CID661223,0.0,,0.0,,,,,,,,,,,,,,
CC1CCN(C(=O)c2cc3nc(-c4ccccc4)cc(-c4ccccc4)n3n2)CC1,CID1257379,,,,,,,,,,,,,,,0.0,,
CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)Nc1ccccc1)=C(C#N)C21CCCCC1,CID657980,0.0,,,,,0.0,,,,,,,0.0,0.0,,,
CCCCn1nnnc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1,CID655370,,,,0.0,0.0,,,,,,,,,,,0.0,
O=C(NC1=NCCS1)NC12CC3CC(CC(C3)C1)C2,CID659099,,,,,,,,0.0,,,0.0,,,,,,
COC(=O)CC1C(=O)NCCN1C(=O)NC1CCCCC1,CID2950779,,,0.0,,,,,,,,,,0.0,,,,
Cc1ccc(NC(=O)OCc2cc(-c3ccccc3)on2)cc1,CID1481096,,,,,,,,,,,,,,0.0,,,
O=C(CCC(=O)c1cccs1)NCCCN1CCCC1=O,CID2533045,,0.0,,,,,0.0,,,,,,,,,,
N#Cc1c2c(nc(N)c1-c1ccccc1)CCCCC2,CID876697,,,0.0,,,,,,,,,,,,,,
CN1/C(=C/C2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)C(C)(C)c2ccccc21,CID5740386,,,,,,,,,,0.0,,,,,,,
C1=Nc2ccccc2/C1=C/Nc1nccs1,CID5310632,,,,,,,,,,0.0,,,,,,,
COCCNC(=O)c1cc2c3ccccc3n(C)c2s1,CID2766134,,,,,,,,,,,,,,,0.0,,
CCN(CC)c1ccc(-c2nc3cnccn3c2NC2CCCC2)cc1,CID1446268,,,,,,0.0,,,,,,0.0,,,,,
CN1Cc2cc(C(=O)c3cc(Cl)cc(CSc4ncccn4)c3O)cnc2NC1=O,CID2077850,0.0,0.0,,0.0,,,,,,,,0.0,,,,,0.0
Nn1c(Cc2cccc3ccccc23)nnc1SCn1nnc2ccccc2c1=O,CID5151032,,,,,,,,,,,0.0,,,,,,
O=C(Nc1nc2c(s1)CCCC2)C1=CC2=NC(C3CC3)CC(C(F)(F)F)N2N1,CID5770889,1.0,,,,,,,,,,,,,,,,
O=C(Nc1ccc2ccccc2c1)c1cnccn1,CID760210,,0.0,0.0,0.0,,,,,,,,,,,,,
CC1(C)CC(=O)C2=C(C1)N(Cc1ccco1)C(=O)C2(O)C(F)(F)F,CID662759,,,,,,,0.0,,,,,,,,,,
Cc1c(C(=O)N(Cc2cccs2)C2CCS(=O)(=O)C2)oc2ccccc12,CID662750,,,,,0.0,0.0,0.0,,0.0,0.0,,,,,,,
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCOCC1)n2CCN1CCOCC1,CID662752,,,,0.0,,,,,,,,,,0.0,,,
Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc2c(c1)OCCO2,CID832016,,,,,,,,,,,,0.0,,,,,
Cc1noc(NS(=O)(=O)c2ccc(NC(=O)CSc3nc4c(cc3C#N)CCCCC4)cc2)c1C,CID2197281,,,,,,0.0,,,,,0.0,,,,,,
COc1ccc(/C=C(/CC(=O)Nc2ccc(C)cc2)c2nc3ccccc3s2)cc1,CID7870200,,,,,,,,,,,,,,0.0,,,
O=C(Nc1ccc(N2C(=O)C3CCCCC3C2=O)cc1Cl)c1cccs1,CID2906920,,,,,,,,,,,,,,,0.0,,
O=C1/C(=C\c2cccnc2)CCc2ccccc21,CID1550300,,,,,,0.0,,,,,,,,,,,
Cc1c(CN(C)CCc2ccccc2)c(=O)n(-c2ccccc2)n1C,CID757978,0.0,,,,,,,,,,,0.0,,,,,
O=C(NCCc1ccccc1)c1ccccc1NS(=O)(=O)N1CCCC1,CID1251727,,,,0.0,0.0,,0.0,0.0,,,0.0,,,,,,0.0
C(=N/Nc1nc2ccccc2s1)\c1cccs1,CID321179,,,,,,0.0,,,,,,,,,,,
COc1cc2c(cc1OC)-c1cc(OCc3ccccc3Cl)nc(=O)n1CC2,CID1951620,,,,,,,,,,0.0,,,,,,,
O=C(Nc1sc2c(c1C(=O)NCc1ccco1)CCCC2)c1ccc2c(c1)OCO2,CID1245861,,,0.0,,0.0,,,,,,0.0,,,,,,
O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1cccc2ccccc12,CID1619109,,,,,,,,,,,,,,,0.0,,
O=c1c2nnn(Cc3ccccc3)c2ncn1C/C=C/c1ccccc1,CID5310258,,,,,,,,,,,,,0.0,,,,
O=C(c1ccc(COc2ccc(Cl)cc2)o1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,CID1222070,,,,,,,0.0,,,,,,,,,0.0,0.0
O=c1c(-c2ccccc2)nc(-c2ccccc2)cn1O,CID1483278,,,,,,0.0,,,,,,0.0,,,,,
COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCN3CCOCC3)C2c2cccnc2)c1C,CID5389675,,,,,,,,,,,,,,,,,0.0
Cc1cc(C)n2nc(SCC3COc4ccccc4O3)nc2n1,CID2997908,,0.0,,0.0,,,,,,0.0,,,,,,0.0,
COC(=O)c1ccc(C2C3=C(N=C4N=NNN42)c2ccccc2OC3)cc1,CID5742526,,,,,,,,,,,,0.0,,,,,
O=C(CCc1nc(=O)c2ccccc2[nH]1)N1CCN(C/C=C/c2ccccc2)CC1,CID5742522,,,0.0,0.0,,,,,,,,,,,,,
CCC(c1nnc(SCC(=O)NCC2CCCO2)n1Cc1ccccc1)N(C)C,CID2997901,,,,,,,,,,,,,,,,0.0,
CCS(=O)(=O)N1Cc2ccccc2CC1C(=O)Nc1nc2ccccc2[nH]1,CID2997900,,0.0,0.0,,,,,,,,0.0,,,,,,
CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)OCC(=O)Nc1cc(C)on1,CID2997902,,,,,,,,0.0,,,,,,,,,
CCOC(=O)C1CCCN(CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)C1,CID5742528,,0.0,,0.0,,,,0.0,,,,,,,,,
O=C(CN(Cc1cccs1)C(=O)c1csnn1)NC1CCCC1,CID1467684,,,,,,,,,0.0,0.0,,,,,,,
COc1cc(-c2cccs2)cc(=O)c2c(C)oc(C)c12,CID646649,,,,,,,0.0,,,0.0,,,,0.0,,,
C(=N/c1nc2ccccc2n1CCN1CCOCC1)\c1cccs1,CID658394,0.0,,0.0,0.0,0.0,,0.0,,,,,,,,,0.0,0.0
COc1cc(C(Nc2ccc3c(c2)OCO3)C(=O)NC2CCCCC2)cc(OC)c1OC,CID646647,,,0.0,,,,,0.0,,,,,,,,,
O=C(/C=C/c1ccccc1)Nc1nnc(-c2ccco2)s1,CID879559,,,,,,0.0,,,,,,,,,,,
Cc1c(-c2cccs2)[n+](=O)c2c(n1[O-])CCCCC2,CID2289104,,0.0,0.0,,0.0,,,,,0.0,,,,,,,
CCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)ccc21,CID2541537,,,0.0,,0.0,,,0.0,0.0,,,,,,0.0,,0.0
Cn1c(=O)[nH]c(=O)c2c1nc(NCCCn1ccnc1)n2CCOc1ccccc1,CID664195,,,,0.0,,,,,,0.0,,,,,,0.0,
O=C(CCC(=O)N1CCN(C2CCCC2)CC1)Nc1nnc(C(F)(F)F)s1,CID664191,0.0,0.0,,,0.0,,0.0,,,,,,,,,,0.0
Cc1cc(NC(=O)CSc2nnc(-c3cccnc3)n2C2CCCCC2C)no1,CID4880876,,,,,,,,,,,0.0,,,,,,
COc1ccc(CCCc2n[nH]c(=S)o2)cc1,CID834866,,,,,,,,,,,,,,,0.0,,
S=c1[nH]nc(COc2ccc3ccccc3c2)o1,CID834865,,,,,,,,,,,,0.0,,,,,
O=C(NCCN1C(=O)S/C(=C\c2ccccc2)C1=O)C1CCN(S(=O)(=O)c2cccs2)CC1,CID6139547,,,,,,,,,,,,,,0.0,,,
C=CCNC(=O)c1scc2c1CCCC2,CID596935,,,,0.0,0.0,,,,,,,,0.0,,,,
Cc1cccn2c(=O)c3cc(C#N)c(=O)n(CC4CCCO4)c3nc12,CID4887510,,,,,,0.0,,,,,,,,,,,
O=C(Cn1cc(C(=O)c2cccs2)c2ccccc21)NCC1CCCO1,CID2953263,,0.0,0.0,,0.0,,,,,,0.0,0.0,,,,,
c1ccc2c3nnc4n(c-3nc2c1)CCCS4,CID1252004,,0.0,,0.0,,,,,,,0.0,,,,,,
CN(C(=O)CSc1nnc(Nc2ccccc2)s1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,CID2438648,,,,,,,,,,,,0.0,,,0.0,,
O=c1[nH]cnc2scc(-c3ccsc3)c12,CID656321,,,,,,,0.0,,,,,,,,,,
O=c1c2c3n(c(=O)nc2[nH]n1-c1ccccc1)CCCCC3,CID2345123,,,0.0,0.0,,,,,,,,,0.0,,0.0,,
NC(=O)c1nsc(C(=O)N(CC(=O)NCc2ccc3c(c2)OCO3)C2CCCC2)c1N,CID656328,,,0.0,,0.0,,,,,,,,,,,,
Cc1cc2nc3s/c(=C/c4cn[nH]c4-c4ccccc4)c(=O)n3c2cc1C,CID2255107,,,,,,0.0,,,,,,,,,,,
O=C(CSc1nc2ccccc2s1)NCCCN1CCOCC1,CID648089,,,0.0,,0.0,,0.0,,0.0,,0.0,,,,,,
O=c1cc(CSc2nnc(-c3ccco3)o2)c2ccccc2[nH]1,CID644640,0.0,,0.0,0.0,0.0,,0.0,,,,,,,0.0,,0.0,
Cc1cc(C)n2nc(C(=O)N3CCOCC3)nc2n1,CID644641,,0.0,0.0,0.0,,,,0.0,,,,,,,,,0.0
O=C(NC1CCCC1)c1n[nH]c2ccccc12,CID2563801,,,,,,,,,,,,,,0.0,,,
COc1cccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccccc2OC)c1,CID4432753,,,,,,0.0,,,,,,,,,0.0,,
C/C(=N\NC(=O)Cn1c(-c2ccccn2)nc2ccccc21)c1ccccc1,CID1385368,,,,,,,,,,,,,,,0.0,,
CCc1nnc(NC(=O)CSC2=NN/C(=C3/C=CC=CC3=O)N2c2ccc(C)cc2C)s1,CID5652489,,,,0.0,,,,,,,,,,,,,
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2nccs2)=C(C#N)C1c1ccc(Cl)cc1,CID3409527,,,,,,0.0,,,,,0.0,,,,,,
COC(=O)c1cc(=O)nc2sc(-c3cccs3)nn12,CID3239815,,,,,,,,,0.0,0.0,,,,,,,
O=C(CSc1nnc(Cc2ccccc2)n1Cc1ccccc1)NCc1ccco1,CID1170184,,,,,,,,,,,0.0,,,,,,
O=C1c2ccccc2NC(c2ccc(-c3ccccc3[N+](=O)[O-])o2)N1c1ccccc1,CID2888613,,,,,,0.0,,,,,,,,,,,
COc1ccccc1-c1cn[nH]c(=S)n1,CID2949213,,0.0,,0.0,,,0.0,0.0,,,,,,,,,0.0
Cc1ccnc(NC(=O)CCC(=O)N(CC(=O)NC2CCCCC2)CC2CCCO2)c1,CID652373,,,0.0,,,0.0,0.0,,,,0.0,,,,,,
Cc1cccc(N2CCN(c3ccc(N4C(=O)CCCC4=O)cc3[N+](=O)[O-])CC2C)c1,CID12005309,,,,,,,,,,,,,,,0.0,,
CCOC(=O)C1(CCCc2ccccc2)CCN(CC(O)CO)CC1,CID16192165,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCc4ccccc4C3)cc2)cc1,CID12005304,,,,,,,,,,,,,,0.0,,,
CCOC(=O)c1c[nH]c2c3c(ccc2c1=O)CCCC3,CID707153,,0.0,0.0,0.0,,,,,,,,,,,,0.0,
CC1=NN(Cc2ccccc2)C(=O)C1,CID70349,,,,,,,,,,,,,,,0.0,,
O=C(OCn1nnc2ccccc2c1=O)c1ccc2c(=O)n3c(nc2c1)CCC3,CID2539361,,,,,,,,,,,,,0.0,,,,
Cc1cc(=O)oc2cc(NC(=O)C3COc4ccccc4O3)ccc12,CID2997570,,,0.0,0.0,,,0.0,,,0.0,,,,,,0.0,
O=C1CN(C(=O)COC(=O)COc2ccc3c(c2)CCC3)c2ccccc2N1,CID2094306,,,0.0,,,,0.0,,,,,,,,,0.0,
Cc1cc(NC(=O)C2CCC2)n(-c2ccccn2)n1,CID2997575,,0.0,0.0,,,,,0.0,,,,,,,,,0.0
Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)NC(=O)NCc3ccco3)c2n1,CID2997576,0.0,,,0.0,,,,,,,,,0.0,,,,
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)Cn1[nH]c(=O)c2ccccc2c1=O,CID2997579,,,,,,,,,0.0,,,,0.0,,,,
Cc1nc2ccc(NC(=O)N3CCSCC3)cc2nc1C,CID655600,,,,,,,,,,,,,,,,0.0,
O=C(O/C(=C/c1nccn1Cc1ccc(Cl)cc1)c1ccccc1)c1ccccc1,CID5341749,,,,,,0.0,,,,,,,,,,,
O=C(c1ccco1)N1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1,CID2218605,0.0,,,,,,0.0,,0.0,,,,0.0,,,,
COc1ccccc1Nc1nnc(SCC(=O)N2CCCC2=O)s1,CID2611539,0.0,0.0,,,0.0,,0.0,,0.0,0.0,,,0.0,0.0,,0.0,
O=C(NCc1ccccn1)c1cc2ccccn2n1,CID5308475,,,,,,0.0,,,,,,,0.0,,,,
O=C(Cn1nc(Cc2cccnc2)c2ccccc2c1=O)NCC1COc2ccccc2O1,CID5308472,0.0,,,0.0,,,,,,,,,,,,,
O=C(NC1CCCC1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1,CID5308473,,,,,,,,0.0,,,,,,,,,
O=C(NCc1ccc2c(c1)OCO2)C1CCCN(S(=O)(=O)c2cccnc2)C1,CID5308478,,,,,,,,,,,,,0.0,,,0.0,
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1nc(-c2cccnc2)cs1,CID2359597,,0.0,0.0,,0.0,,,,,,,,,,,0.0,0.0
Cc1c2c(n3c(nc4ccccc43)c1C#N)N(Cc1ccccn1)CC2,CID3239386,,0.0,,,,,,,,,,,,,,,
c1ccc(CN(Cc2ccco2)C(c2ccncc2)c2nnnn2C2CCCC2)cc1,CID648730,,,,,,,0.0,,,,0.0,,,,,,
OCC1CCCN1Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2,CID16191205,,,,,,,,,,,,,,,0.0,,
CCn1c2ccccc2c2cc(Nc3cc(C)nc4ncnn34)ccc21,CID5307716,,0.0,,,,,,,,,,,,,,,
CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3C(=O)CC12C,CID104845,,,,,,,,,0.0,,,,,,,,
Cc1ccccc1OC1C(=O)N(Cc2ccc3c(c2)OCO3)C1c1sccc1C,CID2960075,,,,,,,,,,,,,,0.0,,,
COc1ccc(N(CC(=O)NN=C2CCCCCCC2)S(=O)(=O)c2ccccc2)cc1Cl,CID1041908,,,,,,0.0,,,,,,,,,,,
CN(C)C(=O)CSc1nnc(-c2cc(-c3cccs3)nc3ccccc23)o1,CID2103362,0.0,,,0.0,0.0,,,,,0.0,,,,,,,
Cc1sc2nc(SCc3nnc(-c4cccs4)o3)n(C3CCCC3)c(=O)c2c1C,CID2567826,,,,,0.0,,,,0.0,0.0,,,,,,,
CC1=CS/C(=C(/C#N)C(=O)N2CCCCC2)N1c1ccccc1,CID1858707,0.0,,,,0.0,,0.0,,,,,,0.0,0.0,,0.0,
CN1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC1,CID2999684,0.0,0.0,0.0,,0.0,0.0,,,,,0.0,,0.0,,,,
N#C/C=C1/NC(=O)c2ccccc2S1,CID2396387,,,,,0.0,,,,,,,,,,,,
O=C(Nc1cnc2ccccc2c1)C1COc2ccccc2O1,CID2877493,,,,,0.0,0.0,0.0,,,0.0,0.0,0.0,0.0,,,,0.0
CCCc1sc(N/N=C/c2ccccn2)nc1-c1ccc(Br)cc1,CID3127435,,,,,,,,,,,0.0,,,,,,
CN1C(=O)CC(N2CCN(CC(=O)N3CCCC3)CC2)C1=O,CID2877498,,,,,,,,0.0,,,,,,,,,
COc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCc2ccccc2)cc1,CID4192159,,,,0.0,0.0,,,,,,0.0,,,,,0.0,
O=C(Cc1cccs1)N1CCN(c2ccccn2)CC1,CID762642,,,,0.0,,,,,,,,,0.0,,,,
O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccc(F)cc1,CID2254622,,,,,,0.0,,,,,,,,,,,
Cc1nc([N+](=O)[O-])c(N2CCN(C)CC2)n1Cc1ccccc1,CID2836220,,,,,,,,,,,,,,,0.0,,
O=C(CCn1c(=O)oc2ccccc21)Nc1ccc2c(c1)OCCO2,CID2972947,,,,0.0,,,0.0,,,0.0,,,0.0,,,,
O=C(NC1CCCCCC1)c1ccc(N2CCCC2=O)cc1,CID774210,0.0,0.0,0.0,,0.0,0.0,,,,,0.0,,,,,,
O=C(Nc1ccccc1C(=O)N/N=C/c1ccco1)c1ccccc1Cl,CID1034835,,,,,,0.0,,,,,,,,,,,
Cc1cc(NC(=O)c2cccc(C(=O)Nc3cc(C)on3)n2)no1,CID753077,,0.0,,,,,0.0,0.0,,,,,,,,,
COc1cc(C)nc(OCCNS(=O)(=O)c2cc(C)ccc2C)n1,CID648848,,0.0,,,,,0.0,,0.0,,,,,,,0.0,0.0
CN1CCN(c2ccc(-c3ccnn3C(=O)Nc3ccccc3)cc2)CC1,CID4264966,,,,,,,,,,,,,,0.0,,,
CCOC(=O)CC1CCCCN1Cc1cn(C)nc1-c1ccc2c(c1)OCCO2,CID16189048,,,,,,,,,,,,,,,0.0,,
O=C(c1ccco1)N1CCCN(Cc2cn[nH]c2-c2ccc(-c3ccccc3)cc2)CC1,CID16189041,,,,,,,,,,,,,,0.0,,,
Cn1c(=O)c2cn3c(c2n(C)c1=O)C(c1ccccc1)CC(c1ccccc1)=N3,CID2948030,,0.0,0.0,0.0,,,,,,0.0,,,,,,,
O=C(NC(=S)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc(Cl)cc1,CID1941409,,,,,,,,,,,,,,,0.0,,
Cc1ccc(S(=O)(=O)NN2C(=O)c3ccccc3NC2c2ccccn2)cc1,CID4406476,,,,,,,,,,,,,,0.0,,,
Cc1ccc(C2=C/C(=C(/CCC(=O)O)c3ccc(C)cc3)C(=O)N2)cc1,CID1878888,,,,,,,,,0.0,,,,,,,,
O=C(Cn1ncc2c3ccccc3n(Cc3ccc(F)cc3)c2c1=O)N1CCN(c2ncccn2)CC1,CID9550670,,,,,,,,,,0.0,,,,,,,
CN1C(=O)CC(NNC(=O)c2ccccc2)C1=O,CID3829966,,,,,,,,,,0.0,,,,,,,
Cn1c2ccccc2c2cnn(CC(=O)N3CCC4(CC3)OCCO4)c(=O)c21,CID9550672,,,,,,,,,0.0,,,,,,,,
CCOc1ccc(OCC)c(NC(=O)CCCN2C(=O)c3cccnc3C2=O)c1,CID3242130,,0.0,,,,,,0.0,0.0,0.0,,,,,,,
COc1ccc(C(=O)NCc2nnc(SCC(=O)N3CCN(c4ccccc4)CC3)o2)cc1OC,CID3236174,,,,,,,0.0,,,,,,,,,,
Cc1ccc(-c2[nH]nc3c2C(c2ccccc2OC(=O)N2CCOCC2)C(C#N)=C(N)O3)cc1,CID3236171,,,0.0,,,,,,,0.0,,,,,,0.0,
O=C(NCc1cccnc1)c1noc2c1CCCC2,CID3236170,,0.0,,0.0,,,,0.0,0.0,,,,0.0,,,,
O=C(c1ccccc1)C(Sc1ncn[nH]1)c1ccccc1,CID2933535,,0.0,,,0.0,0.0,0.0,,,,,,,,,0.0,
Cc1cc2ccccc2c(=O)n1CC(=O)NC1CCCCCC1,CID3237222,0.0,,,,0.0,,,,,,,,,,,,0.0
CCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCN2CCOCC2)cc1,CID3237221,,,,,0.0,,,,,,,,,,,,
O=CN(/C=C1\Sc2ccccc2C1=O)Cc1ccccc1,CID798166,,,,,,,,,,0.0,,0.0,,,,,
O=c1cc(O)n(-c2ccccc2)c(SCc2ccccc2)n1,CID755800,,,,,,0.0,,,,,,,,,,,
CCOC(=O)Cc1csc(NC(=O)COc2ccc3ccccc3c2)n1,CID3146020,,,,,,0.0,,,,,0.0,0.0,,,,,
Cc1cc2c(cc(C(=O)OC(C(=O)NCc3ccco3)C(C)C)n2C)o1,CID652006,,,,,,,0.0,,,,0.0,0.0,0.0,,,0.0,
Cn1c(-c2c(N)n(-c3ccccc3)c3nc4ccccc4nc23)nc2ccccc21,CID3373363,,,,,,,,,,,,,,0.0,,,
O=C1CCCN1C(=O)CCC(=O)N1CCCC1=O,CID652005,,0.0,,,,0.0,0.0,0.0,,,,0.0,,0.0,,,0.0
O=C(Nc1ccc2c(c1)OCO2)c1cnc2n(c1=O)CCS2,CID3241234,,,,,,,,,0.0,,,,0.0,,,0.0,0.0
O=C(CSc1nnc(-c2cccnc2)o1)Oc1ccccc1,CID652002,0.0,0.0,,0.0,0.0,,,0.0,,,,,0.0,,,0.0,
N/C(=N\OC(=O)C12CC3CC(CC(C3)C1)C2)c1cccnc1,CID9567050,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccc(N2CCOCC2)cc1)c1ccncc1,CID774910,,,,,,,,,,,0.0,,,,0.0,,
Cc1cc2oc(=O)c3c(c2cc1OC(=O)c1ccco1)CCCC3,CID1242643,,,,,,,,0.0,,,,,0.0,,,,
CN(CC(=O)N1CCC(Cc2ccccc2)CC1)S(=O)(=O)c1cnc[nH]1,CID3240199,,,,0.0,,,,0.0,,,,,,,,,0.0
Cc1c2c(n3c(nc4ccccc43)c1C#N)N(Cc1cccnc1)CC2,CID3240192,,0.0,,,,,0.0,,,,,0.0,,,,,
O=C(O)c1ccc(C(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1,CID1288013,,,0.0,,,,0.0,,,,0.0,,0.0,,,,
c1ccc(-c2noc(-c3ccc4ccccc4c3)n2)nc1,CID926663,,0.0,,0.0,,,,0.0,,,,,,,0.0,,
O=C(c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)N1CCN(c2ncccn2)CC1,CID4348097,,,,,,,,,,,0.0,,,,,,
Cc1cccc(C)c1OCC(=O)N1CC2(C)CC1CC(C)(C)C2,CID2927808,,,,,,,,,,,0.0,,,,,,
CC1CCCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1,CID3126542,,,,,,0.0,,,,,,,,,,,
O=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1ccc2c(c1)OCCO2,CID1571329,,,,,,,,,0.0,0.0,0.0,0.0,,,,,
Cc1ccc(CS(=O)(=O)CCC(=O)NCCCN2CCCC2=O)cc1,CID3238193,,0.0,,,,0.0,0.0,,,,,,,,,0.0,
Cc1cc(/N=C/C=C2\N(C)c3ccccc3C2(C)C)n(CCC#N)n1,CID2322800,,0.0,0.0,,,,,0.0,,,,0.0,0.0,,,,
Cn1nnnc1SCC(=O)Nc1ccccc1C(=O)NC1CC1,CID2630325,,,,,,,,,,0.0,0.0,0.0,,,,,
COc1ccc(Cc2nnc(SCC(=O)NC3CCCC3)o2)cc1,CID856652,,,,,,,,,,,0.0,,,0.0,,,
N#CCSc1nc2[nH]ncc2c(=O)n1-c1ccccc1Br,CID3238335,0.0,,,,,,,,,,0.0,,,0.0,,0.0,0.0
COC(=O)c1cc2c(s1)CS(=O)C2,CID3238334,,,,,,,,,,,,,0.0,,0.0,0.0,
O=C(NC1CC2CCCC(C1)N2Cc1cccs1)N1CCOCC1,CID645285,,,,0.0,0.0,0.0,,,,,,,,,,,
COc1ccc(/C=N/NC2=NC(=O)C(c3ccccc3)(c3ccccc3)S2)cc1,CID1377316,,,,,,,,,,,,0.0,,,,,
O=C(O)C1CCCCC1C(=O)Nc1ccc(Nc2ccccc2)cc1,CID696808,,,,,,,,,0.0,,,,,,,,
O=c1nc(SCc2ccccc2)[nH]c2c1sc1ccccc12,CID1472580,,,,,,,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3ccccc3)CC2)cc1,CID1472585,,,,,,,,,,,,,,0.0,,,
CC(C1CC1)N(C(=O)NC1CCS(=O)(=O)C1)c1ccccc1,CID660033,,,,,,,,0.0,,,,,,,,0.0,
C/C(NC(=O)c1cccs1)=C1\C(=O)CC2C1C2(C)C,CID660030,,,,,0.0,,,,,,,,,,,,
O/N=C1\CCCc2oc3c(c21)CCCC3,CID797499,,0.0,,,,,0.0,,,,,,0.0,,,0.0,
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)NC3CCCCCC3)n2N)c1,CID3385426,,,,,,0.0,,,,,,0.0,,,,,
O=C(CCC1CCCCC1)Nc1cccnc1,CID803571,,,,,,0.0,,,,0.0,,,,,,,
Cc1ccc(COC(=O)c2ccc3c(c2)C(=O)N(CCCN2CCOCC2)C3=O)cc1,CID2540463,,,,,,,,,,,,,,,0.0,,
Cc1nccc2[nH]c(=O)c(C(=O)NC3CCCCC3C)cc12,CID5771288,,0.0,,,,,,,,,,,,,,,
CCOC(=O)C1SC2(C(F)F)CC1(O)c1c(c(OC)c3occc3c1OC)O2,CID3241180,,,,,,,,,0.0,,,,,,,0.0,
O=C(CSc1nnc(-c2ccncc2)n1Cc1ccccc1)NCCc1ccccc1,CID2082329,,,,,,0.0,,,,,,,,,,,
Cc1n[nH]c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nc1=O,CID2372435,,0.0,,,,,,,,,,,,,,,
O=C(Nc1ccc2c(c1)OCO2)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1,CID1485502,,,,,,,,,,,,,,0.0,,,
COC(=O)c1ccc(CSc2ccc3nnc(-c4cccnc4)n3n2)o1,CID5310110,,,,,,,0.0,,0.0,,0.0,,,,,,
O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)NCc1ccco1,CID5310111,,,,,,,,0.0,,,,,,,,,
Cc1cc(C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c(C)o1,CID760392,,,,,,,,,,,,,,0.0,,,
O=C(NCc1ccccc1)NC1(C(=O)N2CCN(c3ncccn3)CC2)CCCCC1,CID650220,,0.0,,,,,,,,,,,,,,,0.0
CCc1cccc2c3c([nH]c12)C(CC)(CC(=O)O)OCC3,CID3308,,,,,,,,,,0.0,,,,,,0.0,
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N2CCC(=O)c3ccccc32)cc1,CID1106122,,,,,,,,,,,0.0,,0.0,,,,
NC(=O)C1(N2CCCCC2)CCN(C(=O)NC23CC4CC(CC(C4)C2)C3)CC1,CID2941196,,,,,,,,,0.0,,0.0,,,,,,
N#C/C(=C\c1c(N2CCC(C(N)=O)CC2)nc2ccccn2c1=O)S(=O)(=O)c1ccccc1,CID1840517,,,,,,,,,,,,,,,0.0,0.0,
Cc1cc(C)nc(N(C#N)CC(=O)N2CCC(C(N)=O)CC2)n1,CID666064,,0.0,,,,,,,,0.0,,,,,,,
COc1ccc(N2C(=O)CCC(C(=O)NCCN3CCOCC3)C2c2ccc(OC)c(OC)c2)cc1,CID3238477,,,0.0,,,,,,,,,,,,,0.0,0.0
COc1ccc(N2C(=O)CCC(C(=O)N3CCCCCC3)C2c2ccc(OC)c(OC)c2)cc1,CID3238473,,,,,0.0,,,,,,,,,,,,
Cc1ccc(CCC2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1,CID612512,,,,,,,,,,,0.0,,,,,,
Nc1nonc1-c1noc(CCCCCN2C(=O)c3ccccc3C2=O)n1,CID594800,,,,0.0,,,0.0,,,,0.0,,,,,,
CN(C)c1ccc(C(=O)NC2(N3CCC3=O)CCCC2)cc1,CID1493979,,,,,,,,,,,,,,,0.0,,
N#CC(C#N)C(c1ccsc1)c1c(-c2ccccc2)[nH][nH]c1=O,CID658033,,0.0,0.0,,,,0.0,0.0,,,,,,,,,
Cc1csc(NC(=O)CSc2nsc(SCC(=O)Nc3nc(C)cs3)c2C#N)n1,CID658035,,,,,0.0,,,,,,,,,,,,
CC1(C)C(c2cccs2)=NC(c2ccccc2)N1O,CID658039,,,,0.0,,0.0,,,,,,,,,,,
COc1ccc(C2CC(c3ccccc3)=NN2C(=S)Nc2ccccc2)cc1,CID4099635,,,,,,,,,,,,,,0.0,,,
CCOC(=O)/C=C1\SCC(=O)N1CC(=O)c1ccc[nH]1,CID2084776,,,,0.0,,,,0.0,,,,,,,,0.0,
O=C(CSC1=NN/C(=C2/C=Nc3ccccc32)O1)N1c2ccccc2CCc2ccccc21,CID5770832,1.0,,,,,0.0,,,0.0,,,,0.0,,,,
Cc1c(NC(=O)N2CCCCCC2)c(=O)n(-c2ccccc2)n1C,CID649210,0.0,0.0,0.0,0.0,,0.0,,,,,,,0.0,,,,
O=C(CSc1n[nH]c(C2CCCC2)n1)NC1CCCC1,CID649215,0.0,0.0,,,,,0.0,,,,0.0,,,,,0.0,
O=C(Nc1ccc2c(c1)OCO2)c1ccc(N2C(=O)c3ccccc3C2=O)cc1,CID1188836,,,,,,,,,,,,,,0.0,,,
O=C(Nc1ccccn1)c1csc2c1CCCC2,CID829296,,,,,,,,,,,,,,,0.0,,
Cc1cccc(C)c1OCC(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1,CID1923232,,,,,,0.0,,,,,,,,,,,
CC1(C(=O)NC2CCCCC2)CCC(=O)N1Cc1cccs1,CID4306436,0.0,0.0,,,0.0,,,0.0,,,,,,,,,
Cn1c(=O)[nH]c(=O)c2c1nc(Sc1nc3ccccc3[nH]1)n2CCc1ccccc1,CID654067,,0.0,0.0,,0.0,,0.0,,,,,,,,0.0,0.0,
COCCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)Nc1cc(C)on1,CID654066,,,0.0,,0.0,0.0,,,,,,,0.0,,,,0.0
Cc1nn(C(=O)c2ccoc2C)c(N)c1-c1ccccc1,CID1263280,0.0,,0.0,,,,,0.0,,,,,,,,,
O=C(Nc1nccs1)NC1CCCCC1,CID307028,,0.0,,0.0,,,,0.0,,,,,0.0,,,,0.0
CCCCSc1nc(=O)c(NC(=O)c2ccco2)c(N)[nH]1,CID2149633,,,,,,,0.0,,,0.0,,,0.0,,,,0.0
O=C1Nc2ccccc2OC1CC(=O)N1CCOCC1,CID5308987,0.0,0.0,,,,,,,,,,,,,,,
O=C(Nc1ccc2c(c1)OCCO2)C1CCCN1S(=O)(=O)c1cccc2cccnc12,CID5308980,,,0.0,,,,0.0,,,,,,0.0,,,0.0,
Cc1noc(C)c1CS(=O)(=O)Cc1ccc(Cl)cc1,CID1471874,,,,,,,,,,,,,,0.0,,,
COc1ccc(CC2CCOC2=O)cc1,CID2832780,,,,,,,0.0,,0.0,,0.0,,,0.0,,,
O=C1C2C3CCCN3C3(C(=O)Nc4ccccc43)C2C(=O)N1c1cc(Cl)cc(Cl)c1,CID5389732,,,,,,,0.0,,,,,,,,,,
O=C(NC1CC1)c1sc2cc([N+](=O)[O-])ccc2c1Cl,CID831416,,,,,,,,,,,,,,0.0,0.0,,
Cc1cc(-n2c(C)cc(C(=O)CCl)c2C)no1,CID2103959,,,,,,,,,,,,,,0.0,,,
COc1cccc(CN(C)CC(=O)NC(=O)NCc2ccco2)c1,CID2698196,0.0,0.0,,,,,,0.0,,,,,0.0,,,,
CC(C)(C)c1ccc(-c2nc(C#N)c(NCc3ccncc3)o2)cc1,CID663549,0.0,0.0,,0.0,,,,,,,,0.0,0.0,,,,0.0
CC(C)C(=O)Nc1nnc(CCc2nnc(NC(=O)C(C)C)s2)s1,CID663547,,,,,,,,,0.0,0.0,0.0,,,,,,
Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(CCC#N)n1,CID2320429,0.0,,0.0,,,,,,,,,,,,,,
c1coc(-c2nc3nc4ccccc4nc3n2CC2CCCO2)c1,CID663543,,,,,,0.0,0.0,,0.0,,,,,,,,
O=S(=O)(Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccccc1,CID3241797,,,,,,,0.0,,,0.0,,0.0,0.0,,,,
Cc1cc(N2CCN(C(=O)c3ccco3)CC2)n2nc(C)nc2n1,CID5307658,,0.0,0.0,,,,,,,,,,,,,,
CC(C)=C1C2CCC1C1C(=O)N(c3nc(-c4ccc(C(C)C)cc4)c(C)s3)C(=O)C21,CID3708052,,,,,,0.0,,,,,,,,,,,
Cc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C(=O)NC2CCCc3ccccc32)C1,CID5307650,,,0.0,,,0.0,,,,,0.0,0.0,,,,,
O=C(c1cc2ccccn2n1)N1CCCC1,CID5307653,,0.0,,,,,,0.0,,,,,0.0,,,,0.0
Cc1ccc2nc(NC(=O)C3CCCN(S(=O)(=O)c4cnc[nH]4)C3)sc2c1,CID5307656,,0.0,0.0,,,,,,,,,,0.0,,,0.0,
O=C(C1COc2ccccc2O1)N1CCOCC1,CID2867174,,,,,,,,,,,,,0.0,,,,
CC(C)c1cc(C(=O)N/N=C/c2cccnc2)n[nH]1,CID761822,,,,,,,,,,,,,,,0.0,,
Cc1coc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)c2C#N)n1,CID1301870,,,,,,,,,0.0,,,,,,,,
CCC1=NN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C(O)(c2ccncc2)C1,CID2880954,,,,,,,,,,,,,,,0.0,,
O=c1oc2ccccc2cc1-c1csc(NN=C2CCCCC2)n1,CID2851169,,,,,,0.0,,,,,,,,0.0,,,
Cc1oc(-c2ccccc2)nc1C(=O)Nc1nccs1,CID2497379,,,,0.0,0.0,,,,,0.0,,,,,,0.0,0.0
O=C(NNc1c2ccccc2nc2ccccc12)c1cccc(O)c1,CID3279103,,,,,,,,,,,,,,,0.0,,
O=C(CCC(=O)N1CCN(c2ccccn2)CC1)Nc1nnc(C2CCCCC2)s1,CID664011,0.0,,,,0.0,,,0.0,,,,,,,,0.0,0.0
Cc1ccc2nsnc2c1-n1c(C)nc2ccccc2c1=O,CID664015,0.0,,,0.0,,,0.0,0.0,,,0.0,,0.0,,,0.0,
CC(C)Cc1nnc(NC(=O)CCC(=O)N2CCOCC2)s1,CID664017,,0.0,,,,,0.0,,0.0,,0.0,,,,,0.0,0.0
O=C(N1CCOCC1)n1nnc2ccccc21,CID735660,,0.0,0.0,,,,0.0,,,,,,,,,,
CC1(C)c2ccccc2N2CC(=O)N(CC(N)=O)C21C,CID664019,,,,,,,0.0,,,,,0.0,,,,,
Cc1ccc(C(C(=O)NC2CCCCC2)N(C(=O)Cc2c[nH]c3ccccc23)c2ccccc2)o1,CID3190940,,,,,,0.0,,,,,,,,,,,
CC1(C)CC(=O)c2sc(NS(=O)(=O)c3ccccc3)nc2C1,CID1080690,,,,,,,,,,,,,,,0.0,,
CCOC(=O)c1[nH]c2ccccc2c1NC(=O)C1CCCC1,CID2157299,0.0,,0.0,0.0,0.0,,0.0,,0.0,,0.0,,,,,,
CCCCn1c(N)c(N(CC(C)C)C(=O)CCCSc2nncs2)c(=O)[nH]c1=O,CID2474976,,,,,,,,,,,,,,,0.0,,
O=C(Nc1ccc2c(c1)OCO2)Nc1cnccn1,CID971861,,0.0,,0.0,,,0.0,,0.0,0.0,,,0.0,0.0,,,
Cc1csc(NC(=S)Nc2cccc(Cl)c2)n1,CID1225439,,,,,,,,,,,,,,0.0,,,
CCn1c(SCC(=O)NCCOc2ccccc2)nc2ccccc2c1=O,CID2296239,0.0,0.0,0.0,,0.0,0.0,,,,,,,,,0.0,0.0,
O=C(NCC1COCCO1)C1CCN(S(=O)(=O)c2ccccc2)CC1,CID645869,,,,0.0,,,,,,0.0,,,,,,0.0,
C1CCC(C23CC4CC(CC(C4)C2)C3)NC1,CID467461,,,,,,,,,,0.0,,,,,,,
Cc1cc(C)nc(SCCCn2c(=O)[nH]c3ccccc32)n1,CID2165095,,0.0,,,,,,,0.0,0.0,,,,,,0.0,
COc1ccccc1/C=N/NC(=O)CC(=O)Nc1ccc(Cl)c(Cl)c1,CID1034931,,,,,,0.0,,,,,,,,,,,
CC(C)(C)C1CCc2c(sc3c2C(=O)NC(c2ccco2)N3)C1,CID3114156,,,,,,,,0.0,,,,,,,,,
CC(C)CCn1c(SCC(=O)OCn2nnc3ccccc3c2=O)nc2ccccc2c1=O,CID2502379,,0.0,0.0,,,,0.0,,,,,,,,,,
CC/N=C1/S/C(=C\c2cn(C(C)=O)nc2-c2ccccc2)C(=O)N1CC,CID1803739,,,,,,,,,0.0,,0.0,,,,0.0,,
O=C(c1ccco1)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1,CID3245106,,,,,0.0,,,,,,,,,,,0.0,
CCN1CCN(c2cc(C)c3cc(NC(=S)N4CCCC(C)C4)ccc3n2)CC1,CID16193150,,,,,,,,,,,,,,,0.0,,
CCOC(=O)N1CCC(NS(=O)(=O)c2cc(Br)cc3c2N(C(=O)CC)CC3)CC1,CID3244677,,,,,,,0.0,,,,,,,,,0.0,0.0
CCOc1ccc(S(=O)(=O)Nc2cc(Sc3ncn[nH]3)c3oc(=O)sc3c2)cc1,CID3244674,,,,,,,,,,,0.0,0.0,,,,,
Cc1cccc(OCC2=NS(=O)(=O)c3ccccc3N2)c1,CID3244670,,,,,0.0,,,0.0,,,,,0.0,,,,0.0
O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)c1ccc2c(c1)OCO2,CID1090052,0.0,,,,,,,,0.0,0.0,,,,,,,
Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NC1=NCCS1,CID2129265,,0.0,0.0,,0.0,,,,,,0.0,,,,,,
CCc1nnc(NC=C2C(=O)OC(C)(C)OC2=O)s1,CID3242488,,,,0.0,,,,,0.0,,0.0,,,,,0.0,
CC(C)C1N=C2c3ccccc3N=C(SCC(=O)c3ccc(O)c(O)c3)N2C1=O,CID3242486,,,,,,,,,,,,,,0.0,,,
CC(C)NC(=O)c1cnc(N2CCN(c3ccccn3)CC2)c2ccccc12,CID3239356,,0.0,0.0,,,0.0,0.0,0.0,,,,,,,0.0,,0.0
COc1cccc(N2CCN(S(=O)(=O)c3ccc4nc(-c5ccccc5)[nH]c4c3)CC2)c1,CID3239351,,,,0.0,0.0,0.0,,,,,,,,,0.0,0.0,0.0
O=C(O/N=C/c1ccc2c(c1)OCO2)c1ccccc1Cl,CID677858,,,,,,,,,,,,,,0.0,,,
CN1CCN(C(=O)C2=CC(C3CC3)CC(OCc3ccc(CO)cc3)O2)CC1,CID16197101,,,,,,,,,,,,,,0.0,,,
COc1ccccc1NC(=O)COC(=O)c1ccccc1OCC(=O)Nc1ccc(SC(F)F)cc1,CID4370277,,,,,,,,,,,,,,0.0,,,
Cn1c(CCC(=O)Nc2ccc(N3CCOCC3)cc2)nc(=O)c2ccccc21,CID2569738,0.0,,0.0,,,,0.0,0.0,,,0.0,0.0,,,,,
CN(Cc1ccccc1)Cc1c[nH]c2ccccc12,CID659062,0.0,,,,,,,,,0.0,,,,,,,
O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2n1,CID301065,,,,,,,,,,,,,,0.0,0.0,,
O=C(CCCC(=O)N(CC(=O)NC1CCCC1)Cc1ccc2c(c1)OCO2)Nc1ccccn1,CID651953,,,,,,,,,0.0,,,0.0,0.0,,,,0.0
Cc1cccc(NC(=O)CSc2nc3ccc(NC(=O)CSc4nnnn4-c4ccccc4)cc3s2)c1C,CID1808607,,,,,,,,,,,,0.0,,,,,
Cc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)N1CCN(c2ccccc2)CC1,CID1868331,,,,,,0.0,,,,,,,,,,,
O=C(CSCc1ccccc1Cl)Nc1ccc2c(c1)OCCO2,CID2176585,,,,,,,,,,,,,,0.0,,,
CC1CCN(c2cccc3c2C(=O)c2ccccc2C3=O)CC1,CID2890433,,,,,,0.0,,,,,,,,,,,
O=C(CC(C(=O)N1CCc2ccccc21)n1ccnc1)N1CCc2ccccc2C1,CID3243991,0.0,,,,,0.0,,0.0,,,,,0.0,,,,
CCOc1cc(NC(=S)Nc2cccc(OC)c2)c(OCC)cc1NC(=O)C1CC1,CID1172465,,,,,,0.0,,,,,,,,,,,
CN1CCN(CCCNc2nc3ccccc3c3nc(-c4ccccc4)nn23)CC1,CID3243995,,0.0,0.0,,,,,,,,,,,,,,
COc1cc(OC)c(C#N)c(S(=O)Cc2ccccc2)c1,CID561468,,,,,,,,,0.0,,,,,,,,
Cc1nc2ccc(-n3ccc(=O)cc3)cc2s1,CID2319808,,,0.0,,,,,,,,,0.0,0.0,,,,0.0
COc1cc2c(cc1NC(=O)CCCCCN1C(=O)CCC1=O)oc1ccccc12,CID2219851,,,,,,,,,,,,0.0,,,,,
O=C(Cc1cccs1)NCC1CCCO1,CID531782,,,,,0.0,0.0,,0.0,,,,,,,,,
CCN(CC)S(=O)(=O)N1CCC(C(=O)NC2CCCC2)CC1,CID3241177,0.0,0.0,,,,0.0,0.0,,0.0,,,,,,,0.0,
CN1CCC(N(C)C(=O)CCc2nc(=O)c3ccccc3[nH]2)CC1,CID2428398,,,,,,0.0,,,0.0,,,0.0,,,,,
CCN(C(=O)Cn1c(=O)oc2ccccc21)C1CCS(=O)(=O)C1,CID3618116,,,,,,,,,,,,0.0,,,,,
C/C(=N\NC(=O)c1c[nH]c2ccccc12)c1ccccn1,CID903017,,,,,,,,,,,,,,,0.0,,
O=C(OCCN1C(=O)c2ccccc2C1=O)c1cnccn1,CID2553157,,,0.0,,,0.0,0.0,0.0,,0.0,,,,,,,
Cc1scc(C(=O)Nc2ccon2)c1-c1ccccc1,CID2970361,0.0,0.0,,0.0,0.0,,,,,0.0,,,,,,,
Cc1cc(C(F)(F)F)nn1CCCNC(=O)c1cnccn1,CID2225214,0.0,,,,,,,,0.0,,,,,,,,
O=C(Nc1ccon1)C(Sc1ccccc1)c1ccccc1,CID2970368,0.0,,0.0,,0.0,,0.0,,,,0.0,0.0,,,,,
C1=C(N2CCOCC2)/C(=C/c2nc3ccccc3[nH]2)CC1,CID700365,,0.0,,,,,,,0.0,,,,,,,,
Cc1c(C(=O)NCCC2=CCCCC2)oc2ccc(S(=O)(=O)N3CCOCC3)cc12,CID3239319,,,,,0.0,0.0,,,,0.0,0.0,,,,,,
COc1ccc(CC2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(OC)c1,CID4309713,,,,,,0.0,,,,,,,,,,,
O=C(Nc1nccs1)C12CC3CC(C1)CC(C(=O)Nc1nccs1)(C3)C2,CID2882964,0.0,,0.0,,0.0,,0.0,,0.0,,0.0,,,0.0,,,0.0
N#Cc1c(Nc2cccc(F)c2)sc2c(=O)cc(O)[nH]c12,CID1512121,,,,,,,,,,,,,,0.0,,,
O=C(NCc1ccco1)c1csc2c1CCCCC2,CID3235718,,,,0.0,0.0,,0.0,,,0.0,,,,,,,
O=C(CCNS(=O)(=O)c1cccs1)N1CCc2ccccc2C1,CID3235719,,,0.0,,0.0,,0.0,,,0.0,,,,,,,
CC1C2CC(C(S(=O)(=O)N3CCOCC3)C2=O)C1(C)C,CID3235714,,,0.0,0.0,,,,,,,,,,,,,
CC(NC(=O)Cc1ccc(F)cc1)C(c1cccs1)N1CCN(C)CC1,CID3236509,0.0,0.0,,,,,,,,0.0,,0.0,,,,,
CCOc1ccc(-c2nc(CSCC(=O)NC3CCCc4ccccc43)c(C)o2)cc1,CID4174239,,,,,,0.0,,,,,,,,,,,
CCOC(=O)c1c(C)[nH]c(C(=O)COc2ccc3c(c2)OCO3)c1C,CID2118060,,0.0,0.0,,,0.0,,,,,0.0,,,,0.0,0.0,
CSc1cc(-c2ccc(Cl)cc2)c(C(=O)N2CCCC2)s1,CID2767957,,,,,,,,,,,,,,0.0,0.0,,
O=C1C(=CNCc2cccs2)C(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1,CID5899090,,,,,,0.0,,,,,,,,,,,
COC(=O)c1ccc(NC2=C(Cl)C(=O)OC2OC(=O)c2ccccc2)cc1,CID16188434,,,,,,,,,,,,,,,0.0,,
O=C(Nc1cccnc1)c1ccc2snnc2c1,CID2925182,,0.0,,,,,,0.0,,,0.0,0.0,,,,0.0,
c1csc(Cc2nc(-c3ccc(-n4cccc4)cc3)no2)c1,CID1503091,,,,,0.0,,,,,,,,0.0,,,0.0,
O=C(c1ccccc1)N1CCN(CC#Cc2ccccc2)CC1,CID575440,0.0,,,,,,,,,,,,,,,,
O=C1N(O)C2(C=CCCC2)/C(=N/O)C12CCCCC2,CID283081,,,,,,0.0,,0.0,,,,,0.0,0.0,,,
CN1C(=O)c2cccc(NC(=O)CCc3ccccc3)c2C1=O,CID4149615,,,,,0.0,,,0.0,,,,,,0.0,,,
O=C(NCCCN1CCOCC1)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1,CID1741763,,,,,,,,,,,,,,0.0,,,
COC(=O)c1c(C(=O)OC)c(C)n(Cc2ccco2)c1C,CID758247,,,,,,,,0.0,0.0,0.0,,,,,0.0,0.0,
CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCOCC2)cc1,CID2092477,,0.0,,,,,,0.0,,,0.0,,,,,0.0,
CCOC(=O)c1cc(C)n(CCCN2CCOCC2)c1C,CID758243,,,,,,,,0.0,,,,0.0,,,,,
O=C(CN1CCCC1)Nc1ccc(-c2nc3cc(NC(=O)CN4CCCC4)ccc3o2)cc1,CID2932546,,0.0,0.0,,,,,,,,,,,,,,
CCOC(=O)c1c(C)sc2c1N(C(=O)CN1CCOCC1)c1cc(Cl)ccc1S2,CID998812,,,,,,,,,0.0,,,,,,,,
Cn1c(=O)c2c(nc(Br)n2Cc2ccc3ccccc3c2)n(C)c1=O,CID662945,0.0,,,,,,0.0,,0.0,,,,,,,,0.0
COc1cc(S(=O)(=O)NCCN2CCOCC2)ccc1-n1cnnn1,CID1429007,,,,,,,,,,,,,,0.0,,,
O=C(CSC1CC(=O)N(CC(c2ccccc2)c2ccccc2)C1=O)Nc1ccc(Cl)cc1,CID4687157,,,,,,0.0,,,,,,,,0.0,,,
Cc1ccc(S(=O)(=O)c2c(N)n(NC(=O)C3CC3)c3nc4ccccc4nc23)cc1,CID662949,,,,,0.0,,,,,,,,,,,,
CCCCc1nc(NCCNC(=O)c2ccccc2)c(C#N)c2c1CSC(C)(C)C2,CID1899176,,,,,,,,,,,0.0,,,0.0,,,
Cn1c(SCc2nc(-c3cccs3)no2)nnc1C1CCCCC1,CID1254857,0.0,0.0,,,,,0.0,,,0.0,0.0,,0.0,,,,
CCOC(=O)C1(O)CSc2nc3sc(C(=O)O)c(C)c3c(=O)n21,CID2963680,,,,,0.0,,,,,,,,,,,,
O=c1c2sccc2nc(SCc2cc(=O)n3cc(Cl)ccc3n2)n1Cc1ccccn1,CID3544770,,,,,,,,,,,,,,,0.0,,
O=C1C=CC(=CNNC(=O)c2ccc(COc3cc(Cl)ccc3Cl)o2)C=C1,CID5431723,,,,,,,,,,,,0.0,,,,,
Nc1c2c(nc3ccccc13)N(C1CCCCC1)CC2,CID657720,0.0,,,0.0,,,,0.0,,,,,,,,0.0,
O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCC2,CID1308906,,,0.0,,0.0,,,,0.0,,0.0,,,,,,
O=C(NCc1cccs1)c1csc2c1CCCCC2,CID3243142,,,,,0.0,,0.0,,,,,,,,,,0.0
N#CC1=C(NCCc2ccccc2)C(=O)NCCC1,CID3243145,,0.0,,,,,0.0,,,,,,,,,0.0,
Cc1ccc(CNC(=O)C2CC(=O)N(C3CCCCCCC3)C2)cc1,CID3236032,0.0,,,,,,,,,,,0.0,,,,,0.0
O=C(CCC1CC(=O)Nc2ccccc21)NCc1cccnc1,CID3616163,,0.0,,,0.0,,,,,,,,,,,,0.0
Cc1onc(-c2ccccc2)c1C(=O)N(Cc1ccco1)Cc1cccs1,CID2459999,,,,,,,,,,,,,,,0.0,,
CC1(C)CC(=O)C/C(=N\CC(=O)O)C1,CID676799,,,,,,,,,,0.0,,,,,,,
Cc1noc(C)c1COC(=O)CCC(=O)c1ccc(F)cc1,CID2433559,,,,,,,,,,,,,,0.0,,,
COC1=C/C(=C2/C=C(C(=O)O)c3c(cc(OC)c(OC)c3OC)N2)C=CC1=O,CID5771501,,,,,,,0.0,,,,,,,,,,
CC1=C/C(=C\c2ccc3c(c2)OCO3)C(=O)S1,CID5771505,,,0.0,,,,0.0,,,,0.0,,,,,,
O=N/C=C1/C=CC(C(=O)NCC2CCCO2)=CN1,CID5771506,,0.0,,,,,,0.0,,,0.0,,,,,,
COC(=O)C1=C(C)N2NN=NC2=NC1c1ccc(Cl)cc1,CID5771509,,,,,,,,,,,,0.0,,,,,
Cc1c(NC(=O)CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)n(-c2ccccc2)n1C,CID1286955,,,,,,,,,,,,,0.0,,,,0.0
CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NC2=NCCS2)cc1,CID2110803,,,,,,,,,0.0,0.0,,,0.0,,0.0,,
COc1cc(CC(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc(OC)c1OC,CID4172802,,,,,,,,,,,,0.0,,,,,
Cn1c(C(=O)NCCCN2CCc3ccccc3C2)cc2c(=O)n(C)c3ccccc3c21,CID9550737,,,,,,0.0,,,,,,,,,,,
O=C1CC(c2cccs2)Sc2nc3ccccc3n21,CID2898205,,,0.0,,0.0,,,,,0.0,,,0.0,,,,
O=C(NCc1ccc2c(c1)OCO2)C(=O)NC1CCCCC1,CID2174513,,,,,,,,,0.0,,,0.0,,,,,
CCOC(=O)C1C(=O)NC(N2CCN(Cc3ccccc3)CC2)=NC1c1ccco1,CID667289,,0.0,,,,,,0.0,,,,,,,,0.0,
CC12CCC3(CO)COC(c4ccccc4O1)C2C3,CID2828564,,,,,,0.0,,0.0,,,,,,,,,0.0
Cc1cc(C)c2c(n1)nn1c(NCCN3CCOCC3)cc(C)nc21,CID667283,,0.0,,0.0,,,,,,,,,0.0,,,,
O=C(c1csc2c1CCCC2)n1cccn1,CID1245419,,0.0,,,,,,,,,,,1.0,,,,
CCN(CC)C(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC(C)(C)SC3,CID1405150,,,,,,,,,0.0,,,,,,0.0,,
O=C(CCc1ccccc1)Nc1ncn[nH]1,CID839995,,0.0,,0.0,,,0.0,,0.0,,,,,0.0,0.0,,
O=C(O)C1CC(=O)N(CCOc2ccccc2)C1,CID2926676,,,,,,,0.0,,,,,,0.0,,,,
Cc1nc2cc(C(F)(F)F)ccc2n1C1CCN(Cc2nnnn2Cc2cccs2)CC1,CID646457,,,,,0.0,,,,,,0.0,,,,,,
O=C(NCC(=O)N(Cc1ccco1)C(C(=O)NC1CCCCC1)c1cccnc1)c1ccco1,CID646456,,,,,,,0.0,0.0,,,0.0,0.0,0.0,,,,
CCc1c(C)nc(N)n2c(SCC(=O)N3CCCc4ccccc43)nnc12,CID646453,,0.0,,,0.0,,,,,,,,,,,0.0,
Cc1nc(CN2CCN(C(=O)c3ccc(Br)cc3)CC2)cs1,CID574510,0.0,,,,,,,,,,,,,0.0,,,
COc1ccc(CCn2c(N)cc(=O)[nH]c2=S)cc1OC,CID1259573,,0.0,,0.0,0.0,,0.0,0.0,,,,,,,,,
COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccccc4)c3C)SC2=S)cc1,CID1271637,,,,,,0.0,,,,,,,,,,,
Cn1nnnc1SCCNC/C=C/c1ccccc1,CID1817779,,0.0,,0.0,,,,0.0,,,,,0.0,,,,
Cc1c(Nc2ccc3nonc3c2[N+](=O)[O-])c(=O)n(-c2ccccc2)n1C,CID16187951,,,,,,,,,,,,,,0.0,0.0,,
Cc1cc(C(=O)Nc2sc3c(c2C#N)CCC(C)C3)cs1,CID2971094,,,,,0.0,,,,,0.0,,,0.0,,,,
Cc1c(C)n(C(=O)CSc2ncn[nH]2)c2ccccc12,CID795916,,0.0,0.0,0.0,,,0.0,,,0.0,0.0,,0.0,,,0.0,0.0
Cc1cc(-c2nc3c4c5c(sc4nc(=O)n3[nH]2)CCC5)c(C)o1,CID2422317,0.0,0.0,,,,,0.0,,,,0.0,,,,,,
COc1ccc(CNC(=O)C2CSC(c3ccc(OC)cc3)N2C(C)=O)cc1,CID4057009,,,,,,0.0,,,,,,,,,,,
COc1ccc(CN2C(=O)c3c(c(C)n(C)c3C)C2C(=O)NC2CCC(C)CC2)cc1,CID4057008,,,,,,,,,,,,,,0.0,,,
CC1(C)NC(=O)N(CCOCCOc2ccccc2)C1=O,CID2199176,,,,,,,,,,0.0,,0.0,,,,,
CC(C)N(C(=O)CN(C#N)c1nc(N(C)C)nc(N(C)C)n1)c1ccccc1,CID1900779,,,,,0.0,,,,,,,0.0,,,,,
O=C(c1cc2c(F)cccc2s1)N1CCCC1,CID1477947,,,,,,,,,,,,,,,0.0,,
O=c1oc2ccccc2n1CCn1c2ccccc2c2nc3ccccc3nc21,CID1526406,,0.0,,,,,,,,,,,0.0,,,,
CCOc1cccc(C(=O)N2CCCCC2c2cccnc2)c1,CID2902985,,,0.0,,,,0.0,0.0,,,,0.0,0.0,,,0.0,
CCOc1cccc(NC(=O)Cn2nc(-c3ccc4c(c3)OCCO4)ccc2=O)c1,CID3224511,,,,,,,,,0.0,0.0,,0.0,,,0.0,,
Cc1cccc(NC(=O)Cc2coc3ccc4ccccc4c23)n1,CID936991,,,,,,,,,,,,0.0,,,,,
Cc1ccc(Nc2cc(C)nn2-c2nc(=O)cc(C)[nH]2)cc1,CID2408467,0.0,0.0,,,,0.0,0.0,0.0,,,,,,,,,
CCCN1Cc2cccc(C(=O)Nc3ccc(CN4CCCC4)cc3)c2C1=O,CID3240431,0.0,,,,,,,,,,,,,,,,
O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(CN2CCOCC2)cc1,CID647727,,,,,0.0,,0.0,,,,,,,,,0.0,
COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)N4CCN(Cc5ccccc5)CC4)ccc3c2=O)cc1,CID3240438,,,,,,,,,,,0.0,,,,,,0.0
CC1(C)NC(=O)N(CC(O)CN2CCOCC2)C1=O,CID647728,,0.0,,0.0,,,,,,,,,0.0,,,,
N#CCSc1nnc(C2CCCCC2)n1-c1ccccc1,CID647729,,,0.0,,,,0.0,,,,0.0,,,,,0.0,0.0
NS(=O)(=O)c1ccc(CCNc2nc(CN3CCCCC3)nc3sc4c(c23)CCC4)cc1,CID2415214,,,,,,,,,0.0,0.0,,0.0,,,,,
CCCN1C(=O)NC2(O)C(=O)c3ccccc3C12O,CID650955,,,,0.0,,,,0.0,,,,,,,,,0.0
Cc1ccc(-c2nnc(-c3ccc(NC(=O)c4cccs4)cc3)o2)cc1,CID2231696,,,,,,0.0,,,,,,,,,,,
CCn1c(=O)n(CC)c2cc(S(=O)(=O)N3CCc4ccccc43)ccc21,CID1253526,,,0.0,,,,0.0,,,,,,,,,,0.0
Cc1cccc(N(CC(=O)NC2CCCCC2)C(=O)c2c(C)noc2C)c1,CID651038,,0.0,,,0.0,,,,0.0,,0.0,,,,,,
O=C1C=C/C(=N\Nc2ccc([N+](=O)[O-])cc2)C(O)=C1,CID5717413,,,,,,0.0,,,,,,,,,,,
CC(C)C(c1nnnn1Cc1ccccc1)N1CCC(C(N)=O)CC1,CID651035,,0.0,,,,,0.0,,,,,,,,,0.0,
O=C(CSc1ncc(-c2ccccc2)n1CC1CCCO1)N1CCCCC1,CID651031,0.0,,,,,0.0,,,,,,,,,,,0.0
CCOC(=O)c1c(NC(=O)CN2CCN(c3ccccn3)CC2)sc2c1CCCC2,CID651030,,,,,0.0,,,,,,,,,,,,0.0
Cc1ccc(/C=C/C(=O)Nc2cccc3ncccc23)o1,CID874993,,,,,,,,,,,,,,0.0,,,
O=C1CCCC(=O)N1c1ccc(Oc2ccc(Cl)cc2)cc1,CID1738520,,,,,,,,,,,,,,0.0,,,
O=C(c1cccc(C(=O)N2CCN(Cc3ccccc3)CC2)c1)N1CCN(Cc2ccccc2)CC1,CID655497,0.0,,,,,,0.0,,,,,,,,,,0.0
Cc1cc(NC(=O)c2sc(Nc3cccc(C(F)(F)F)c3)nc2N)no1,CID655496,0.0,,,,0.0,,,,,0.0,,,,,,,
Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2N2CCCCC2)n1C,CID655491,0.0,,,,,,0.0,,,,,,,,,0.0,0.0
Cc1cc2nnc(SCC(=O)NCc3cccs3)n2c(N)n1,CID655492,,,,,,,,,0.0,0.0,0.0,,,,,,
COc1ccccc1C(=O)n1nc(-c2cccnc2)nc1N,CID971668,,,,,,,,,,,0.0,,,,,,
C=CCOc1ccc2c(c1)c(S(=O)(=O)c1ccc(C)cc1)cn2COC,CID2324910,,,,0.0,,,,,0.0,,,,,,,,
O=C(NNC(=O)c1ccc2ccccc2c1O)c1ccccc1Cl,CID870364,,,,,,,,,,,,0.0,,,,,
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc2c(c1)OCO2,CID1296508,,,,,0.0,,,0.0,,,,,0.0,,,,
O=C1C=CC(=C2C=CC=C(c3ccc(O)cc3)N2)C=C1,CID5399660,,,,,,,,0.0,,,,0.0,,,,,
CCOC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3=O,CID650387,,,,,,,,,,,,0.0,,,,0.0,
O=C(OCC(=O)N1CCN(c2ccccc2)CC1)c1ccccn1,CID650384,,,0.0,0.0,,,,0.0,,,,,0.0,,0.0,,
O=C(CC12CC3CC(C1)CC(CC(=O)N1CCCC1)(C3)C2)N1CCCC1,CID2853053,0.0,,,,,,,0.0,0.0,,,,,,,,
CC(=O)N1CCc2cc(S(=O)(=O)NC(Cc3ccccc3)C(=O)Nc3cc(C)ccn3)ccc21,CID9551144,,,,,,,,,,0.0,,0.0,,,,,
CCN(CC)C(=O)CSc1nnc(-n2nc(C)cc2C)c2ccccc12,CID648440,,0.0,,,0.0,0.0,,,,,,,,,,0.0,
C/C(=N\NC(=O)c1ccncc1)c1cc2ccccc2o1,CID842172,,,,,,,,,,,,,,,0.0,,
c1ccc(OCCCn2nnc(-c3ccc(N4CCOCC4)cc3)n2)cc1,CID652725,0.0,0.0,,0.0,,,,,,,0.0,,0.0,,,,
Cc1cc(C)nc(SCc2nnc(SCC(=O)N3CCCc4ccccc43)o2)n1,CID652721,0.0,0.0,,0.0,0.0,,,,,,,,,,0.0,0.0,0.0
O=C(NCCN1CCN(C(=O)NC2CCCCC2)CC1)NC1CCCCC1,CID655271,,,,0.0,,,,,0.0,,,,,,,,0.0
COc1ccc(N2CCN(C(=O)CSc3nnc(COc4cccc5cccnc45)o3)CC2)cc1,CID655270,0.0,,,,,0.0,,0.0,,,,,,,,0.0,
Cc1ccc2occ(C(c3nnnn3Cc3ccccc3)N3CCOCC3)c(=O)c2c1,CID655279,,,0.0,,,0.0,0.0,,,0.0,0.0,0.0,,,,,
O=C1CC(c2ccc(S(=O)(=O)NCCOc3ccccc3)cc2)CN1,CID2971844,,,0.0,0.0,0.0,,,,,,,,,,,,
Cc1cc(C)cc(CSCC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)c1,CID3139106,,,,,,,,,,,,0.0,,,,,
Cc1noc(C(=O)N2CC3(C)CC2CC(C)(C)C3)c1Cl,CID5309154,,0.0,,,,,,,,0.0,,,,,,0.0,
O=C(NCCN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1ccccn1,CID5309152,,,,,,,,0.0,,,,,,,,,
CN1C(=O)/C(=C\c2cc(Br)cs2)c2ccccc21,CID2109452,,,,,,,,,,,,,,0.0,,,
Cc1cc2cc(CNC(=O)c3cccs3)ccc2n1C,CID3245460,,,,,0.0,,,0.0,,,,,,,,,0.0
Cc1cc(/C=C(/C#N)c2cccc(Cl)c2)c(C)n1C,CID875215,,,,,,0.0,,,,,,0.0,,,,,
O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N1c2ccccc2Sc2ccccc21,CID2229512,,,,,,0.0,,,,,,,,0.0,,,
CCc1nnc(NC(=O)CSc2nnc(C)n2-c2ccc(C)cc2)s1,CID1131991,,,,,,,,,,,,0.0,,,,,
Cc1ccc(C#CC#Cc2ccc(C)nc2)cn1,CID616087,,,,,,0.0,,,,,,,,,,,
COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)N2CCCC2)cc1,CID5308823,0.0,,0.0,,,,0.0,,,,,,,,,0.0,
Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)N1CCCC1,CID5308826,0.0,0.0,,,,,,,,,,,,,,0.0,
O=c1[nH]c2ccccc2nc1N1CCOCC1,CID2388925,,,,,,,,,,,,0.0,,,,,
COc1ccc(CCNc2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1OC,CID2388927,,0.0,,,,,,,0.0,0.0,,,0.0,,,,
Cc1sc2nc(CSc3ccccc3)nc(N3CCOCC3)c2c1C,CID2548018,,,,,,,,,,,,,,0.0,0.0,,
O=C(c1ccco1)c1nnn(Cc2ccccc2)c1-c1ccccc1,CID748307,0.0,,,,,,,0.0,,0.0,0.0,,,,0.0,,
CCOC(=O)N1CCC(NC(=O)c2cccc3c2C(=O)N(c2ccc(OC)cc2)C3)CC1,CID5307705,,,,,,0.0,,,,,,,0.0,,,,0.0
CC(=O)Cc1nsc(NC(=O)c2c(-c3ccccc3Cl)noc2C)n1,CID1084706,0.0,,,0.0,0.0,,,,,,0.0,0.0,,,,,0.0
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCCCC3)C2)cc1,CID1035114,,,,,,,,,,,0.0,,,,0.0,,
CC1(C)C(=O)C2(CCCCC2)C(=O)OC1c1cccs1,CID663263,,,,,,,,,,0.0,,,,,,,
Nc1nnnn1/N=C/c1ccccn1,CID663266,,0.0,,0.0,,,,,,,,,0.0,0.0,,,
CC(C)(C)NC(=O)Cn1nnc(-c2ccccc2NC(=O)c2ccco2)n1,CID1081041,,,,,,,,,,0.0,0.0,,,,,,
CCOC(=O)c1cnc(Nc2nc3ccccc3o2)nc1CSc1ncccn1,CID1833452,,0.0,,,0.0,,,0.0,,,,,,,,0.0,
Nc1ncnc2nc(Sc3ccc(Cl)cc3)[nH]c12,CID944388,,,,0.0,,,,,,,,,,,,0.0,0.0
Cc1nc(C(C)NC(=O)CCc2nnc(CCCc3ccccc3)o2)c(C)s1,CID16192508,,,,,,,,,,,,,,0.0,,,
O=C(NCCC1=CCCCC1)c1cnccn1,CID868678,,0.0,0.0,0.0,,,,,,,,0.0,,,,,
COc1cccc(CNC(=O)Cn2cccc2)c1,CID3242384,,,,0.0,,,,,,,,,,,0.0,0.0,
COc1ccc(N(C)C(=O)CCC(=O)Nc2ccc3nc(N4CCOCC4)cc(C)c3c2)c(OC)c1,CID3242387,0.0,,,,,0.0,,,0.0,,0.0,,,,,,
CCOC(=O)N1CCN(C(=O)/C(=C\c2cccs2)NC(=O)c2cccs2)CC1,CID5347324,,,,,,,,,,,,,,0.0,,,
Cc1ccccc1NS(=O)(=O)c1ccc2[nH]cc(C(=O)NCCCN3CCOCC3)c(=O)c2c1,CID3242389,,,,,0.0,,,,,,0.0,,,,,,
Clc1ccc(-n2nnnc2-c2cnc(-c3ccncc3)nc2-c2cccs2)cc1,CID1046865,,,,,,,,,,,,0.0,,,,,
O=C(c1ccccc1)c1cc(-c2ccccc2)on1,CID346489,0.0,,0.0,,,,,,,,,0.0,,0.0,,,
CCN(CC(=O)NCc1cccs1)c1ccc(S(=O)(=O)N2CCOCC2)cn1,CID2998291,,,,,0.0,,0.0,,,,,,0.0,,,0.0,0.0
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COC(=O)CCc1c[nH]c2ccccc12,CID2998292,,,,,,,,,0.0,,,,0.0,,,0.0,
COCCNC(=O)CSc1nc2c(n1-c1ccccc1)CCCC2,CID2998293,0.0,,,0.0,0.0,,0.0,,0.0,,,,,,,0.0,
Cc1ccc(-c2nc(C(=O)NC3CCCCCC3)no2)cc1,CID4175475,0.0,0.0,,,,,,,,,,,,,,,
CC1CCCCC1NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1,CID2998297,,,,,,0.0,,,,0.0,,,0.0,,,,
CCN(CC(=O)NC1CCS(=O)(=O)C1)C(=O)C(c1ccccc1)c1ccccc1,CID2999123,,0.0,0.0,,,,,0.0,,,,,0.0,,,0.0,0.0
O=C(CN1C(=O)NC2(CCOc3ccccc32)C1=O)Nc1ccc2c(c1)OCCO2,CID2999122,,,,0.0,,,,,,,,,0.0,,,,
O=C(COC(=O)C1CC2C=CC1C2)NCc1ccco1,CID2999124,,,,,,,,0.0,,,,,,,,,0.0
O=C1c2ccccc2NC(c2ccc3c(c2)OCCO3)N1c1ccc2c(c1)OCCO2,CID2999128,,,,,,,,,0.0,0.0,,,0.0,,,,
N=c1ccccn1CC(O)COc1ccccc1,CID267737,,0.0,,,,,0.0,,0.0,,,,,,,,
CCN(CCCNC(=O)CCCn1c(=O)[nH]c2ccccc2c1=O)c1cccc(C)c1,CID3243116,,,,,,0.0,,,0.0,,,,,,,,0.0
O=C1CC(Nc2ccccc2)=NN1c1ccccc1,CID901799,,,,,,0.0,,,,,,,,,,,
O=C(Cn1cnc2ccccc2c1=O)NCC1COc2ccccc2O1,CID9551991,,,,,,,,,,0.0,,,,,,,
Cc1ccc(N2CC(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2=O)cc1,CID2963176,,,0.0,,,,,0.0,,,,,0.0,,,,0.0
Cc1ccc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1S(=O)(=O)N1CCOCC1,CID4372318,,,,,,,,,,,,,,0.0,,,
O=C(Cc1ccc(-n2c(=O)c3ccccc3n(Cc3ccccc3Cl)c2=O)cc1)NCC1CCCO1,CID16195160,,,,,,,,,,,,,,0.0,,,
O=C(Nc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1,CID3242562,,,,,0.0,,,,,,0.0,,,,,,
Cc1nnc(Sc2cc(C(=O)NCc3ccco3)c3ccccc3n2)s1,CID3242565,0.0,,,0.0,0.0,,,,0.0,,,,,,,,
COc1ccc(/N=C2\SC(C(=O)Nc3ccc4c(c3)OCO4)CC(=O)N2C)cc1,CID2882683,,,,0.0,0.0,,,,,,0.0,,,,,,0.0
CCOC(=O)N1CCC(n2c(SCC(=O)NCCC3=CCCCC3)nc3ccccc3c2=O)CC1,CID3237494,,,,,,,0.0,0.0,,,,,0.0,,,,0.0
CCCS(=O)(=O)N1CCC(C(=O)NCCN2CCC(Cc3ccccc3)CC2)CC1,CID3237490,0.0,,0.0,,0.0,,,,,0.0,,,,,,,
COc1ccc2nc3oc(C(=O)NC4CCN(Cc5ccccc5)CC4)cc3cc2c1,CID3237492,0.0,,,,,,,,0.0,,,0.0,0.0,,,,
Cc1cccc(-n2ncc3c(N4CCN(c5nc(C)cc(C)n5)CC4)ncnc32)c1,CID3237498,,0.0,,,0.0,,,,,0.0,0.0,,,,,,
O=C(NNC(=S)Nc1cccc2ccccc12)c1cccc(Br)c1,CID1381359,,,,,,,,,0.0,,,,,,,,
CC12CCC(C(=O)NCc3ccco3)(OC1=O)C2(C)C,CID2921662,,,,,,,,,,0.0,,,,,,,0.0
CCOc1ccc(NC(=O)Nc2nnc(CC(=O)NCc3ccccc3)s2)cc1,CID1335418,,,,,,,,,,,,,,,0.0,,
COCCCNC(=O)c1c(NC(=O)C2COc3ccccc3O2)sc2c1CCCC2,CID2923627,,,,,,,,,,,0.0,,,,,,
O=C(CCN1CCOCC1)c1ccc2c(c1)OCCO2,CID731793,,,,,,,,,,0.0,,,,,,,
CC(=O)OC1CSCC1NC(=O)c1ccccc1,CID659218,,,,,,,,,,,,0.0,,0.0,,,0.0
COc1ccc2c(c1OC)C(=O)OC2c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O,CID659217,,,,,,,0.0,,,,,,,,,,
COc1ccccc1Nc1nnc(SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)s1,CID4965237,,,,,,,,,,,,,,,0.0,,
COc1ccc(-c2nsc3c(SCC(=O)Nc4cc(C)ccc4C)ncnc23)cc1,CID3178344,,,,,,0.0,,,,,,,,,,,
CN1CCN(C(=O)CCC(=O)c2ccc(F)cc2)CC1,CID2117472,,,,,,,,,,,0.0,,,,,,
CCOC(=O)CC1C(=O)NC2CCCCC2N1C(=O)Nc1ccc(Cl)cc1,CID2967125,,0.0,,0.0,,,,,,0.0,,,,,,0.0,0.0
O=c1[nH]c(Cc2ccccn2)nc2scc(-c3ccc(Cl)cc3)c12,CID2484025,,,,,,,,,,,,,,,0.0,,
COC(=O)c1sccc1NC(=O)c1csc2c1CCCC2,CID1245164,,,,,,,0.0,,,,,,,,0.0,,
O=C1N(S(=O)(=O)c2ccccc2F)C(=O)C2(CCCC2)N1S(=O)(=O)c1ccccc1F,CID2545559,,,,,0.0,,0.0,,,,,,,,,,
COc1ccc(Nc2nnc(-c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c3ccccc23)cc1,CID2937137,,,,,,,,,,,,0.0,,,0.0,,
Cc1c(C(=O)O)sc2nc(CSc3nnc(-c4ccc(F)cc4)n3C)[nH]c(=O)c12,CID2458928,,,,,,,,,,,,,,0.0,,,
Cc1cc(N2CCC(C)CC2)nc(-n2nc(C)cc2C)n1,CID879239,,0.0,,0.0,,,,,,0.0,,,,,,,
O=c1[nH]c(=O)n(Cc2ccccc2)c2nc(-c3ccco3)cc(C(F)(F)F)c12,CID2112373,0.0,,,,0.0,,,,,,,,,,,,
CC1(C)COC(/C=C/c2cccc([N+](=O)[O-])c2)=N1,CID715971,,,,,,,,,,,,,,,0.0,,
O=C(Nc1nc(-c2cccs2)cs1)c1cc2ccccc2oc1=O,CID1122607,,,,,,0.0,,,,,,,,0.0,0.0,,
Cc1c(Cl)c([N+](=O)[O-])nn1Cc1ccc(C(=O)NN/C=C2\C=C(Cl)C=CC2=O)o1,CID5433464,,,,,,,,,,,,0.0,,,,,
O=[N+]([O-])c1ccc(N2CCNCC2)cc1NCc1cccnc1,CID2771422,,,,,,,,,,,,,,,0.0,,
COc1ccc2cc(C(=O)Nc3ccc(Cl)cc3)sc(=O)c2c1OC,CID1034157,,,,,,,,,,,,,,,0.0,,
CCCCOc1ccc(C(=O)NCCCC(=O)N2CCCCC2)cc1,CID2848039,0.0,,,,0.0,,0.0,,,,0.0,,,,,,0.0
Cc1nc(-c2ccccc2)sc1-c1n[nH]c(=S)n1C,CID1478783,,,,,,0.0,,,,,,,,0.0,0.0,,
CC1=CC(=O)/C(=C2\CC(c3ccc(Cl)cc3)Sc3ccccc3N2)C(=O)O1,CID5917252,,,,,,,,,,,,,,,0.0,,
CCOC(=O)C1(C(F)(F)F)N=C(c2cccnc2)OC(N2CCOCC2)=N1,CID575111,0.0,,,,0.0,,,,0.0,,,,,,,,0.0
Cc1noc(C)c1COC(=O)COc1ccc2c(C)cc(=O)oc2c1,CID2122162,,,,,,,,,,,,,0.0,,,0.0,
Cc1cc2ncn(/N=C/c3ccc4c(c3)OCO4)c2cc1C,CID2318633,,,,,,,,,,,,,,,0.0,,
CCc1ccc(OCC(=O)NCCOc2ccccc2)cc1,CID1811244,,,,,,0.0,,,,0.0,,0.0,,,,,
O=C(Nc1nc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cs1)c1cccs1,CID1161245,,,,,0.0,,,,0.0,,,,,,,,
CCn1cc(CNC(=O)c2cc(-c3ccccc3OC)nc3ccccc23)c(C)n1,CID995873,,,,,,,,,,,,0.0,,,,,
CCc1ccc(Nc2nnc(SCC(=O)N(C)CC(=O)Nc3ccccc3CC)s2)cc1,CID2581900,,,,,,,,,,,,,,0.0,,,
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2cccs2)cc1,CID5349591,,,,,,0.0,,,,,,,,,,,
Cc1ccc(C(=O)NC2Sc3ccccc3N=C2c2ccccc2)cc1,CID5349597,,,,,,0.0,,,,,,,,,,,
COCCN1CCn2c(nc3cc(NC(=O)c4ccc(OC)cc4)ccc32)C1,CID665981,,,,,,,,0.0,,,,,0.0,,,,0.0
O=C(Nc1nnc(C2=COCCO2)o1)c1ccc(S(=O)(=O)N2CCOCC2)cc1,CID5095667,,,,,,,,,,,,,,0.0,,,
O=C(COC(=O)CNC(=O)c1ccco1)NCCN1C(=O)CSC1=O,CID2078629,,,0.0,,,,,,,,,,,,,,
O=C(CN1CCCCC1)N1c2ccccc2Oc2ccccc21,CID667580,,,,,,,,,,,,0.0,,,,,
COC1=CC=C/C(=C\NCC(C)N/C=C2\C=CC=C(OC)C2=O)C1=O,CID15876402,,,,,,,,,,,,,,,0.0,,
O=C(c1nc2ncccn2n1)N1CCc2ccccc2C1,CID821814,,0.0,0.0,0.0,,,,0.0,,,,0.0,,0.0,,,
CC(=O)CN1Cc2ccccc2/C1=N/C(=O)Nc1ccccc1,CID2323750,,0.0,,0.0,,,0.0,,,,,,,,,0.0,
C1=C(c2ccccc2)CCN(c2ncnc3nc[nH]c23)C1,CID3307731,0.0,0.0,,,,,0.0,0.0,,,,,,,,,
O=C(OCC(=O)N1CCOCC1)c1ccc2c(c1)OCCO2,CID2406374,,0.0,,,,,,0.0,,0.0,,,,,,,
Cc1nn(-c2nc3ccccc3s2)c(N)c1Sc1ccc(F)cc1,CID2320295,,,,,0.0,0.0,,,,0.0,0.0,,,,,,
CC1=NN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C(O)(c2ccccc2)C1,CID3731690,,,,,,,,,,,,0.0,,,,,
CN1CCN(c2cc(-c3ccccc3)nc3cc(-c4ccc(F)cc4)nn23)CC1,CID1441417,,,,,,,,,,,,0.0,,,,,
O=C1C2CSCN2C(=O)CN1CCc1cccc(F)c1,CID667362,,0.0,,,,,,,,,,0.0,0.0,,0.0,,
C=CCN1CC(c2nc3ccccc3n2Cc2ccccc2)CC1=O,CID667363,,0.0,,0.0,,,,0.0,,,,,,,,,
OC(COCc1ccccc1)CN1CCN(c2ccccc2)CC1,CID2770808,,,0.0,,,,,0.0,,0.0,,,,,,,0.0
Cc1cc(NC(=O)CSCCc2ccncc2)no1,CID3690440,,0.0,,,,,,0.0,,,,,0.0,,,0.0,
CCN1CCc2nc(NC(=O)C(c3ccccc3)c3ccccc3)sc2C1,CID2464292,,,,,,,,,,,0.0,0.0,,,,,
COC(=O)c1cn(NC(=O)c2ccncc2)c(=O)c2ccccc12,CID3236069,,,0.0,,,,,,,,,,0.0,,,0.0,
Cn1c(=O)c2cc(S(=O)(=O)NCCC(=O)NCCC3=CCCCC3)ccc2n(C)c1=O,CID3244900,,,0.0,0.0,0.0,,0.0,,,,,,,,,0.0,
COc1ccc2c(c1)CCc1c(C(=O)N3CCCCCC3)noc1-2,CID3244907,0.0,,,,0.0,0.0,,0.0,,,,,,,,,0.0
Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)[nH]n1,CID2868360,,,,,,,,,,,,0.0,,,,,
Cc1ccc(CS(=O)(=O)CCC(=O)NC2CC2)cc1,CID4524421,,,,,,0.0,,,,,,,,,,,
COCCN1Cc2cccc(C(=O)NC3CCCCCC3)c2C1=O,CID3242240,,,,,0.0,,,,0.0,,0.0,,,,,,
CC1Cc2nc(SCC(=O)NCC3CCCO3)n(Cc3ccccc3)c(=O)c2S1,CID3236062,,,0.0,,0.0,,,,,,0.0,,,,,,
Cn1cnc([N+](=O)[O-])c1Oc1ccc2ccccc2c1,CID910667,,,,,,,,,,,,,,0.0,,,
CC12CCC(C(=O)NCCCn3ccnc3)(OC1=O)C2(C)C,CID2982180,,,,,0.0,,,0.0,,0.0,,,,,,,
Clc1ccc2c(c1)=C(c1cccs1)NN=C(c1cccnc1)N=2,CID855788,,,,,,0.0,,,,,,,,,,,
COc1cc(CN(C)CCc2ccccc2)ccc1OCc1ccccc1,CID1378292,,,,,,,,,,,,0.0,,,,,
O=S(=O)(NCCSc1nc2ccccc2o1)c1ccccc1,CID555647,,,,,0.0,0.0,0.0,,,0.0,0.0,,,,,,
CC/C(NN1CCCCCC1)=C1/C(=O)NC(=O)N(c2ccccc2C)C1=O,CID6111187,,,,,,,,,,,,,,0.0,,,
CC(C)C(=O)N1CCN(c2nc(-c3ccccc3)c3c(c2C#N)CC(C)(C)OC3)CC1,CID664660,0.0,,0.0,0.0,,,,,,,0.0,0.0,,,,,
Cn1cccc1C(=O)Nc1nc(-c2ccccn2)cs1,CID2594234,,0.0,,,,,0.0,0.0,,0.0,,,0.0,,,0.0,
Cc1sc(NC(=O)c2ccco2)c(CN2CCN(c3ccccn3)CC2)c1C,CID1187950,0.0,,,,,,,,,,0.0,,,,,,0.0
Cc1sc2c(c1C)CN(C1CC(C)(C)NC(C)(C)C1)CN2C(=O)c1ccco1,CID1187953,0.0,0.0,,,,,,,,,,0.0,,,,,
Cc1nn(CC(=O)Nc2ccc3c(c2)nc(CN2CCCC2)n3C)c(=O)c2ccccc12,CID1252554,,0.0,,,,,0.0,,,,,,,,,,
Cc1cc(-n2c(C)cc(C(=O)COC(=O)CNC3=NS(=O)(=O)c4ccccc43)c2C)no1,CID2555199,,,,,,,0.0,,,,,,,,,,0.0
CS(=O)(=O)N(CCc1ccccc1)CC(=O)NCc1cccnc1,CID963778,,0.0,,,,,,0.0,0.0,,,,,,,0.0,
CS(=O)(=O)N(CCc1ccccc1)CC(=O)NCc1ccncc1,CID963773,,,,,,,,,0.0,0.0,,,,,,,
CS(=O)(=O)N(CCc1ccccc1)CC(=O)NCc1ccco1,CID963777,,,,,,,,,,,,0.0,,,,0.0,
CCSC1=C(C#N)C2(CCCCC2)C(C#N)=C(N)N1,CID646395,,,,0.0,,,,,,0.0,,,,,,0.0,
CCc1c(C)nc2ncnn2c1N1CCC(C(=O)NCc2cccc(OC)c2)CC1,CID646392,0.0,0.0,,,,,,0.0,,,,0.0,,,,,0.0
CC(C)(C)NC(=O)CN(C(=O)c1ccc(CN2CCOCC2)o1)c1ccc2c(c1)OCCO2,CID646393,,,,,,,,,,,,,,,0.0,,
COc1ccc(CC2C(=O)OC(C)(C)OC2=O)cc1,CID665538,0.0,,,,,0.0,,0.0,,,0.0,,,0.0,0.0,,
CC1(C)NN(c2ccccc2)C(=S)N1c1ccccc1,CID877326,,,,,,0.0,,,,,,,,,,,
Cc1nc2nc3c(c(=O)n2[nH]1)CCC3,CID666629,,0.0,0.0,0.0,,,,,,,,,0.0,,0.0,,
Cc1ncc(CSc2nnnn2-c2ccccc2)c(N)n1,CID1253683,,,,0.0,0.0,,,,,0.0,0.0,0.0,,,,,
O=C(NCCC1=CCCCC1)c1cc2c(s1)CS(=O)(=O)C2,CID3240940,,,,,,,,,,,,,,,,,0.0
O=C(CCCC(=O)N(CC(=O)NC1CCCCC1)Cc1ccccc1)Nc1ccccn1,CID3197339,,,,,,,,,,,0.0,0.0,,,,,
Cc1nn(C(=O)CNS(=O)(=O)c2ccccc2)c(C)c1Sc1ccc(Cl)cc1,CID1540799,,,,,,,,,,,,,,0.0,,,
Cc1cccc(CSCCNC(=O)CCc2ccccc2)c1,CID2205519,,,,,,0.0,,,,,,,,,,,
N#Cc1cc2c(nc1SCC(=O)Nc1sc3c(c1C#N)CCC3)CCC2,CID1005145,,,,,,0.0,,,0.0,0.0,0.0,,,,,,
COc1ccc(C)cc1C(=O)CCC(=O)Nc1ccccc1N1CCOCC1,CID2529609,,,,,,,,0.0,0.0,0.0,,,,,,,
Cn1c(N)c(C(=O)COC(=O)c2cc(C3CC3)nc3ccccc23)c(=O)n(Cc2ccccc2)c1=O,CID9547736,,,,,,,,,,,,,,,0.0,,
C1CCC(Nc2nnnn2C2CCCCC2)CC1,CID2054813,,0.0,,0.0,,0.0,0.0,,,,,0.0,,,,,
O=C(CSc1ccccc1)N1CCC2(CC1)OCCO2,CID1247113,,,0.0,,,,0.0,,0.0,0.0,,,,0.0,,,
COC(=O)c1c(NC(=O)CSc2nnc(Cn3nnc4ccccc43)n2C)sc(C)c1C,CID649609,,,,,,,,,,,,,0.0,,,0.0,
CC1(CC(=O)NN/C=C2\C=C(Br)C(O)=CC2=O)OCCO1,CID5341693,,,,,,,,,,,,0.0,,,,,
O=C(OC1CCOC1=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1,CID2999498,,,,,,,,,0.0,,,,,,,0.0,
CCN(CC(=O)Nc1ccccc1OC)C(=O)C1CC2C=CC1C2,CID2999490,,,,,0.0,,,,,,,,,,,0.0,
c1ccc(Cn2c(SCc3cn4cccnc4n3)nnc2-c2ccco2)cc1,CID2999493,0.0,,0.0,,0.0,,,,,,,,0.0,,,,
O=C(Nc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1)c1ccco1,CID2999497,,,,,0.0,,,0.0,,,0.0,,,,,,
CN(C)S(=O)(=O)c1ccc(C(=O)N2CCCC2c2nc3ccccc3s2)cc1,CID2999496,0.0,0.0,,,0.0,,,,,0.0,0.0,,,,,,0.0
c1ccc(OCCCn2nnc(-c3cccnc3)n2)cc1,CID652487,,0.0,,,,,,,,,,0.0,0.0,,0.0,,
Cc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3)C(C(=O)NC(C)(C)C)c3ccncc3)n2)o1,CID652485,,,,,,,,,,0.0,,0.0,,,,,
O=C(CCCN1C(=O)c2ccccc2C1=O)NCCC1=CCCCC1,CID2226548,,,,,,,,,0.0,,,,0.0,,,,0.0
Cc1cc(C)n(C(=O)c2ccc(S(=O)(=O)NCC3CCCO3)cc2)n1,CID2946188,,,,,,,,,,,,,,,,0.0,0.0
COc1cc(C2C(S(=O)(=O)c3ccccc3)CON2C)ccc1OCc1ccc(F)cc1,CID4593060,,,,,,,,,,,,,,,0.0,,
COc1ccc(CC(=O)Nc2cc(C)c3c(=O)oc4ccccc4c3n2)cc1,CID3558784,0.0,,0.0,,,,,,,,,,,,,,0.0
FC(F)(F)c1nc(N2CCN(c3ccccc3)CC2)nc2c1CCCCC2,CID3239703,,,,,0.0,,0.0,,,,,,,,,,0.0
CC(=O)Nc1ccc(S(=O)(=O)NCC2CCC(C(=O)NCCCN3CCCC3=O)CC2)cc1,CID3239706,,,0.0,0.0,0.0,,0.0,0.0,,,,,,,,,
O=C(NCc1cccnc1)c1cnn2ccccc12,CID5308168,,0.0,,,,,,0.0,,,,,,,,,
O=C(Nc1ccc(NC(=O)C2CC2)nc1)c1cnccn1,CID1452900,,,,,,,,,,,,,,,0.0,,
Cc1cc(C(=O)N2CCc3ccccc32)n(-c2ccccc2)n1,CID5308164,0.0,,,,,,,0.0,0.0,,,,,,,,
COc1ccc(/C=N/NC(=O)COc2cccc3ccccc23)c(C(=O)O)c1OC,CID1910714,,,,,,,,,,,,,,,0.0,,
Cc1c(C(=O)Oc2ccc(-c3cnc4ccccc4n3)cc2)cccc1[N+](=O)[O-],CID1321249,,,,,,0.0,,,,,,,,,,,
COc1nccnc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1,CID2193649,,,,,,,,,,,,0.0,,,,,
O=C(c1ccco1)N(c1ccccn1)c1ccccn1,CID2906544,,,0.0,,,,,0.0,,,,,0.0,,0.0,,
Oc1ccccc1CN1CCCN(Cc2ccccc2O)C1,CID745587,,,,,,,,0.0,,0.0,,,,,,,
O=C(CSCc1nc2ccccc2[nH]1)Nc1ccc2ccccc2c1,CID877369,,,,,,0.0,,,,,,0.0,,,,,
COc1ccc(CN(C)CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)c(OC)c1,CID2699085,0.0,,,0.0,,,,,,,,,,,,0.0,0.0
CCOc1ccccc1C(=O)Nc1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1,CID1026537,,,,,,,0.0,,,0.0,0.0,0.0,,,,,0.0
O=C1C=C(NCc2ccc(Cl)c(Cl)c2)CC1,CID869876,,,,,,,,,,0.0,,,,,,,
Cn1ccnc1Sc1nnnn1-c1ccccc1,CID672585,,0.0,,,0.0,,0.0,,,,,,0.0,,,,
N#C/C(=C\c1ccc(N2CCOCC2)o1)C(=O)Nc1ccc(O)cc1,CID879782,,,,,,,,,,,,,,,0.0,,
c1ccc(CNn2nnnc2-c2ccccc2)cc1,CID2191866,0.0,,0.0,,,,,,,,,0.0,,,,,
c1ccc(Cc2nnc3sc(-c4ccc5c(c4)OCO5)nn23)cc1,CID972291,0.0,,,,,,0.0,,,,,,,,,,
COc1cccc2c(=O)c3c(cnn3C)n(C)c12,CID654880,,,,,,,,0.0,,0.0,,,,,,,
Cc1cccc(NC(=O)c2oc3c(c2C)C(=O)CC(C)(C)C3)n1,CID972295,0.0,,0.0,,0.0,,0.0,,0.0,,,,0.0,,,,0.0
O=C(c1ccc(N2C(=O)CCC2=O)cc1)N1CCN(c2ccccc2)CC1,CID654884,0.0,,,,,,,,0.0,0.0,,,,,,,
Cn1c(=O)n(Cc2ccco2)c(=N)c2c3c(sc21)CCC3,CID972297,,,,,0.0,,0.0,,,,,,,0.0,,,0.0
O=C(CN1CCCCC1)N1N=C(c2cccs2)CC1c1cccs1,CID2991499,,,,,,,,,,,,,,,0.0,,
Cc1ccc(C(C(=O)NC2CCCC2)N(Cc2cccs2)C(=O)c2csnn2)o1,CID3219401,,,,,,,,,,0.0,0.0,,,,,,
Cc1cc(=O)nc2n(Cc3ccccc3)[nH]cc1-2,CID2222534,,0.0,,0.0,,,0.0,0.0,,,0.0,0.0,,,,,
C1=Nc2c(Nc3ccccc3)ncnc2Oc2ccccc21,CID658412,,,,0.0,,,,,,,,,0.0,,,0.0,
Cn1c(C(=O)N2CCc3ccccc3C2)cc2oc3ccccc3c21,CID3236996,0.0,,0.0,,0.0,,,,,,,,0.0,,,,0.0
CCOC(=O)N1CCC(NC(=O)C2CCCN(C(=O)c3cc4sccc4n3C)C2)CC1,CID5309298,,0.0,,,,,,,,,,,,,,,
CC1=CC(=O)OC1Cc1ccncc1,CID650643,,,0.0,,,,,,,,,0.0,,,,,
CC(=O)N1CSCC1C(=O)N1CCN(c2ccc(N3CCOCC3)nn2)CC1,CID5309291,,,,0.0,,,,,,,,,,,,,
COc1ccc(CC(=O)NCc2nnc(SCC(=O)N3CCN(c4ccccc4)CC3)n2C)cc1,CID2954206,0.0,,,,,,0.0,0.0,,,0.0,,0.0,,,,0.0
O=C(NC(Nc1ccccc1)C(=O)c1cccs1)c1ccccc1,CID2891839,,,,,,0.0,,,,,,,,,,,
CC1=C(n2nnc3ccccc32)C(c2ccccc2)C(C#N)=C(N)O1,CID3769831,,0.0,,0.0,,,0.0,0.0,,,0.0,,,,,0.0,0.0
O=C(CCc1ccccc1)Nc1ccc(Cc2ccncc2)cc1,CID673875,,,,,,0.0,,,,,,,,,,,
CS(=O)(=O)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1,CID878477,,,,0.0,0.0,,,,,,,,,,,,
S=c1[nH]nc(-c2cc3ccccc3o2)n1Cc1ccccc1,CID668746,,,,,,,,,,,0.0,,,0.0,,,
N#Cc1c(N)c(C#N)c(-c2ccc3c(c2)OCO3)c2c1CCCC2,CID668743,0.0,,,,,0.0,,,,,,,,,,,0.0
c1cn(C23CC4CC(CC(C4)C2)C3)cn1,CID323381,,0.0,,,,,,0.0,,,,,,,,0.0,
O=C1C=C/C(=C\NNC(=O)CCC(=O)Nc2ccc(F)cc2)C(O)=C1,CID5904767,,,,,,,,,,,,,,,0.0,,
COCCNC(=O)c1cc(-c2cccnc2)nc2ccc(Br)cc12,CID2221285,,,,,,,,,0.0,,0.0,0.0,,,0.0,,
COc1ccc(C2C(C(=O)N3CCN(C)CC3)c3ccccc3C(=O)N2C2CCCCC2)cc1,CID3240108,0.0,,,,0.0,,,0.0,,,,,,,,,0.0
CC(=O)Nc1ccc(N2C(=O)c3ccc(C(=O)Nc4nnc(SCc5ccc(F)cc5)s4)cc3C2=O)cc1,CID2487707,,,,,,,,,,,,,,,0.0,,
Cc1csc(NC(=O)CS(=O)(=O)c2ccccc2)n1,CID1264962,,,,,,,,,,,,,,0.0,,,
O=C(Oc1ccc(-c2nnco2)cc1)N1CCCCC1,CID700117,,0.0,,0.0,,,,,,,0.0,,,,0.0,,
COc1ccc(C(C#N)C2(C)OCCO2)cc1OC,CID2846811,,0.0,,,,,,,0.0,,,,0.0,,0.0,,
CNS(=O)(=O)c1cccc(C(=O)NCC(c2cccs2)N(C)C)c1,CID3000126,,,,,0.0,0.0,,,,,,0.0,,,,,
O=C1CN(C(=O)CN2CCCC2)C(c2ccccc2)c2cc(Br)ccc2N1,CID2953149,0.0,,,,,,0.0,,0.0,,0.0,,,,,0.0,
COc1ccc2cc3cc(C(=O)NCc4ccccn4)oc3nc2c1,CID3243599,,,,0.0,0.0,,,,,,,,,0.0,,,
CCOC(=O)c1cnc2cc(Cl)c(OC)cc2c1NCC1CCCO1,CID3243596,0.0,0.0,,,,,,,,,,,0.0,,0.0,,0.0
Fc1ccc(N2CCN(c3nc(-c4ccco4)cc(C(F)(F)F)n3)CC2)cc1,CID3243593,,,,,,,0.0,,,,,,,,,,0.0
O=C(O)c1ccc2c(c1)C(=O)N(c1ccccc1-c1ccccc1)C2=O,CID897001,,,,,,,,,,,,,,0.0,,,
O=C(OC1CCOC1=O)c1ccc(NS(=O)(=O)c2cccs2)cc1,CID3519185,,,,,,,,,,,,,,,0.0,,
O=C1OC(N2CCN(c3ccccn3)CC2)c2ccccc21,CID662516,0.0,,,,,,,,,,0.0,,,,,,
Cc1ccccc1OCC(O)Cn1c(N2CCN(c3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C,CID662512,,,0.0,,,,,,,,,,,,,,
O=C1C=CC(Cl)=C/C1=C\Nc1nccs1,CID5333053,,0.0,0.0,,,,,,,,,0.0,,,0.0,,
CC(C)CNC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1,CID2116260,,,,,,0.0,,,,,0.0,,,,,,
O=C(CC(CC(=O)c1ccccc1)C(=O)O)c1ccccc1,CID786884,,,,,,,,,,0.0,,,,,,,
CCOc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)c2ccc[nH]2)cc1,CID2394658,,,,,,,,,,,,,,0.0,,,
O=C(NCc1ccccc1)C1CSC2c3ccccc3C(=O)N12,CID9551818,,,,,,,,,,,,0.0,,,,,
O=C(NCC1COc2ccccc2O1)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1,CID5307238,,,0.0,,,,,0.0,,,,,,,,,
CCn1c(C(=O)N2CCC(C(=O)NCc3cccs3)CC2)cc2sccc21,CID5307234,0.0,,,,,0.0,,,,,,,,,,,
CCN1CCCC1CNC(=O)Cn1cc2c(n1)CCC(C)C2,CID5307233,,,,,,,0.0,,,,,,0.0,,,,
Cc1nc2ccccc2c2oc(C(=O)NCc3ccc4c(c3)OCO4)cc12,CID5307232,0.0,,,,,,,,,,,,,,,,
O=C(CC1Oc2ccccc2NC1=O)NCCCN1CCCCCC1,CID5307231,0.0,,0.0,,,,,0.0,,,,,,,,0.0,
Cc1noc(C)c1CSc1nc2ccccc2nc1NS(=O)(=O)c1ccc(Cl)cc1,CID2620848,,,0.0,,,,,,0.0,,0.0,,,,,,
O=C(COc1ccc(Cl)cc1)NCc1nnc(SCC(=O)NCc2ccc3c(c2)OCO3)o1,CID3241994,0.0,0.0,,0.0,0.0,,,,0.0,,,0.0,0.0,,,,
O=C(c1ccc2nc(N3CCOCC3)sc2c1)N1CCC2(CC1)OCCO2,CID3237517,,,0.0,,,,,,,,,,,,,,0.0
O=C(Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ccccc21)N1CCCc2ccccc21,CID3241998,0.0,,,,0.0,,,0.0,0.0,0.0,,,,,,,
CC(=O)Nc1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)cc1,CID2434720,,,,,,,,,,,,,,0.0,,,
COc1ccc(N(C(=O)c2cccnc2)S(=O)(=O)c2cccs2)cc1,CID1242573,,,,,,,,,,,,,,0.0,0.0,,
COc1ccc(S(=O)(=O)N2CCCN(CCC(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1,CID3245565,,,,,0.0,,,,,,,,,,,,