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| canonical_smiles
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|---|---|
Succinylsulfathiazole | C1=CC(=CC=C1NC(=O)CCC(=O)O)S(=O)(=O)NC2=NC=CS2 |
Sulconazole | C1=CC(=CC=C1CSC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl |
Sulfabenzamide | C1=CC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)N |
Sulfacetamide | CC(=O)NS(=O)(=O)C1=CC=C(C=C1)N |
Sulfacytine | CCN1C=CC(=NC1=O)NS(=O)(=O)C2=CC=C(C=C2)N |
Sulfadimethoxine | COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N)OC |
Sulfaguanidine | C1=CC(=CC=C1N)S(=O)(=O)N=C(N)N |
Sulfamerazine | CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N |
Sulfameter | COC1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N |
Sulfamethazine | CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C |
Sulfamethizole | CC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N |
Sulfamethoxazole | CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N |
Sulfamethoxypyridazine | COC1=NN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N |
Sulfamonomethoxine | COC1=NC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N |
Sulfanilamide | C1=CC(=CC=C1N)S(=O)(=O)N |
Sulfanitran | CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)[N+](=O)[O-] |
Sulfaphenazole | C1=CC=C(C=C1)N2C(=CC=N2)NS(=O)(=O)C3=CC=C(C=C3)N |
Sulfapyridine | C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N |
Sulfaquinoxaline | C1=CC=C2C(=C1)N=CC(=N2)NS(=O)(=O)C3=CC=C(C=C3)N |
Sulfasalazine | C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=CC(=C(C=C3)O)C(=O)O |
Sulfathiazole | C1=CC(=CC=C1N)S(=O)(=O)NC2=NC=CS2 |
Sulfinpyrazone | C1=CC=C(C=C1)N2C(=O)C(C(=O)N2C3=CC=CC=C3)CCS(=O)C4=CC=CC=C4 |
Sulfisomidine | CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)N |
Sulfisoxazole | CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N |
Sulfobromophthalein | C1=CC(=C(C=C1C2(C3=C(C(=C(C(=C3Br)Br)Br)Br)C(=O)O2)C4=CC(=C(C=C4)O)S(=O)(=O)O)S(=O)(=O)O)O |
Sulforaphane | CS(=O)CCCCN=C=S |
Sulfoxone | C1=CC(=CC=C1NCS(=O)O)S(=O)(=O)C2=CC=C(C=C2)NCS(=O)O |
Sulmazole | COC1=C(C=CC(=C1)S(=O)C)C2=NC3=C(N2)C=CC=N3 |
Suloctidil | CCCCCCCCNC(C)C(C1=CC=C(C=C1)SC(C)C)O |
Sulpiride | CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC |
Sultiame | C1CCS(=O)(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)N |
Sultopride | CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)CC)OC |
Sumatriptan | CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CCN(C)C |
Suprofen | CC(C1=CC=C(C=C1)C(=O)C2=CC=CS2)C(=O)O |
Suramin | CC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C4=CC(=CC=C4)NC(=O)NC5=CC=CC(=C5)C(=O)NC6=C(C=CC(=C6)C(=O)NC7=C8C(=CC(=CC8=C(C=C7)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C |
Suxibuzone | CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)COC(=O)CCC(=O)O |
4-Methylglutamic acid | CC(CC(C(=O)O)N)C(=O)O |
Methyl reserpate, 4-ethoxycarbonyl-3,5-dimethoxybenzoic acid ester | CCOC(=O)OC1=C(C=C(C=C1OC)C(=O)OC2CC3CN4CCC5=C(C4CC3C(C2OC)C(=O)OC)NC6=C5C=CC(=C6)OC)OC |
Methyl 2-[(2-methylpyridin-4-yl)methyl]-1-oxo-8-(pyrimidin-2-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)-1,2-dihydro-2,7-naphthyridine-3-carboxylate | CC1=NC=CC(=C1)CN2C(=C(C3=C(C2=O)C(=NC=C3)OCC4=NC=CC=N4)C5=CC(=C(C(=C5)OC)OC)OC)C(=O)OC |
Talipexole | C=CCN1CCC2=C(CC1)SC(=N2)N |
Gatifloxacin | CC1CN(CCN1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F |
Tazanolast | CCCCOC(=O)C(=O)NC1=CC=CC(=C1)C2=NNN=N2 |
Tazarotene | CCOC(=O)C1=CN=C(C=C1)C#CC2=CC3=C(C=C2)SCCC3(C)C |
Tebuthiuron | CC(C)(C)C1=NN=C(S1)N(C)C(=O)NC |
Cardiolite (TN) | CC(C)(CN=[CH-])OC.CC(C)(CN=[CH-])OC.CC(C)(CN=[CH-])OC.CC(C)(CN=[CH-])OC.CC(C)(CN=[CH-])OC.CC(C)(CN=[CH-])OC.[Tc+6] |
Tegafur | C1CC(OC1)N2C=C(C(=O)NC2=O)F |
Telenzepine | CC1=C2C(=CS1)C(=O)NC3=CC=CC=C3N2C(=O)CN4CCN(CC4)C |
Temazepam | CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3 |
Temephos | COP(=S)(OC)OC1=CC=C(C=C1)SC2=CC=C(C=C2)OP(=S)(OC)OC |
Temozolomide | CN1C(=O)N2C=NC(=C2N=N1)C(=O)N |
2-[(Dimethylamino)methyl]-2,3-dihydroinden-1-one | CN(C)CC1CC2=CC=CC=C2C1=O |
Terazosin | COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4CCCO4)N)OC |
Terbutaline | CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O |
1-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine | CC(C)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=NC=N4)C5=C(C=C(C=C5)Cl)Cl |
Terfenadine | CC(C)(C)C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O |
17-Hydroxyandrost-4-en-3-one | CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C |
Tetracaine | CCCCNC1=CC=C(C=C1)C(=O)OCCN(C)C |
Tetraethylammonium | CC[N+](CC)(CC)CC |
(Hydroxyethyloxy)tri(Ethyloxy)octane | CCCCCCCCOCCOCCOCCOCCO |
Krypton | [Kr] |
DL-Tetrahydropalmatine | COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC |
1-(3,4-Dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline | COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2)OC)OC)OC |
Tetrahydrozoline | C1CC(C2=CC=CC=C2C1)C3=NCCN3 |
Diphosphoramide, N,N',N'',N'''-tetrakis(1-methylethyl)- | CC(C)NP(=O)(NC(C)C)OP(=O)(NC(C)C)NC(C)C |
Isosinomenine A | CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC |
Tetroquinone | C1(=C(C(=O)C(=C(C1=O)O)O)O)O |
3-Hydroxyaspartic acid | C(C(C(=O)O)O)(C(=O)O)N |
Thalidomide | C1CC(=O)NC(=O)C1N2C(=O)C3=CC=CC=C3C2=O |
[6-Acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-(2-methylbut-2-enoyloxy)-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] hexanoate | CCCCCC(=O)OC1C2C(=C(C1OC(=O)C(=CC)C)C)C3C(C(CC2(C)OC(=O)C)OC(=O)CCC)(C(C(=O)O3)(C)O)O |
Theobromine | CN1C=NC2=C1C(=O)NC(=O)N2C |
Thiabendazole | C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3 |
Thiamin pyrophosphate | CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)OP(=O)(O)[O-] |
2,4-Thiazolidinedione | C1C(=O)NC(=O)S1 |
Thiethylperazine | CCSC1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)C |
Ethylmercury(1+) | CC[Hg+] |
Thiosalicylic acid | C1=CC=C(C(=C1)C(=O)O)S |
Thiodiglycol | C(CSCCO)O |
Thioridazine | CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)SC |
Thiotepa | C1CN1P(=S)(N2CC2)N3CC3 |
Thiram | CN(C)C(=S)SSC(=S)N(C)C |
Thonzonium | CCCCCCCCCCCCCCCC[N+](C)(C)CCN(CC1=CC=C(C=C1)OC)C2=NC=CC=N2 |
Thonzylamine | CN(C)CCN(CC1=CC=C(C=C1)OC)C2=NC=CC=N2 |
Thymidine-3',5'-cyclic monophosphate sodium salt | CC1=CN(C(=O)NC1=O)C2CC3C(O2)COP(=O)(O3)O |
Tiapride | CCN(CC)CCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)C)OC |
Tiaprofenic acid | CC(C1=CC=C(S1)C(=O)C2=CC=CC=C2)C(=O)O |
Tiaramide | C1CN(CCN1CCO)C(=O)CN2C3=C(C=CC(=C3)Cl)SC2=O |
Ticlopidine | C1CN(CC2=C1SC=C2)CC3=CC=CC=C3Cl |
Tiemonium | C[N+]1(CCOCC1)CCC(C2=CC=CC=C2)(C3=CC=CS3)O |
Tilisolol | CC(C)(C)NCC(COC1=CN(C(=O)C2=CC=CC=C21)C)O |
Tilorone | CCN(CC)CCOC1=CC2=C(C=C1)C3=C(C2=O)C=C(C=C3)OCCN(CC)CC |
1-(Tert-butylamino)-3-{[4-(morpholin-4-yl)-1,2,5-thiadiazol-3-yl]oxy}propan-2-ol | CC(C)(C)NCC(COC1=NSN=C1N2CCOCC2)O |
Tinidazole | CCS(=O)(=O)CCN1C(=NC=C1[N+](=O)[O-])C |
Tinoridine | CCOC(=O)C1=C(SC2=C1CCN(C2)CC3=CC=CC=C3)N |
Tioconazole | C1=CC(=C(C=C1Cl)Cl)C(CN2C=CN=C2)OCC3=C(SC=C3)Cl |
Tiopronin | CC(C(=O)NCC(=O)O)S |
Tipepidine | CN1CCCC(=C(C2=CC=CS2)C3=CC=CS3)C1 |
Tizanidine | C1CN=C(N1)NC2=C(C=CC3=NSN=C32)Cl |
8-(Diethylamino)octyl 3,4,5-trimethoxybenzoate | CCN(CC)CCCCCCCCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC |
5-Isopropyl-1-ethoxymethyl-6-(phenylthio)uracil | CCOCN1C(=C(C(=O)NC1=O)C(C)C)SC2=CC=CC=C2 |
Nikethamide | CCN(CC)C(=O)C1=CN=CC=C1 |