title
stringlengths
4
320
canonical_smiles
stringlengths
1
253
Endosulfan
C1C2C(COS(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl
Enflurane
C(C(OC(F)F)(F)F)(F)Cl
Enoxacin
CCN1C=C(C(=O)C2=CC(=C(N=C21)N3CCNCC3)F)C(=O)O
Eperisone
CCC1=CC=C(C=C1)C(=O)C(C)CN2CCCCC2
[(2S,3R)-3-Amino-2-hydroxy-4-phenylbutyryl]-L-leucine
CC(C)CC(C(=O)O)NC(=O)C(C(CC1=CC=CC=C1)N)O
24-Epibrassinolide
CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2COC(=O)C4C3(CC(C(C4)O)O)C)C)O)O
Cholestanol
CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C
Epinastine
C1C2C3=CC=CC=C3CC4=CC=CC=C4N2C(=N1)N
Epirizole
CC1=CC(=NC(=N1)N2C(=CC(=N2)C)OC)OC
Thiodrol
CC12CCC3C(C1CCC2O)CCC4C3(CC5C(C4)S5)C
Eprazinone
CCOC(CN1CCN(CC1)CC(C)C(=O)C2=CC=CC=C2)C3=CC=CC=C3
3-hydroxy-13-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-one
CC12CCC3C(=CCC4=C3C=CC(=C4)O)C1CCC2=O
N-(1-hydroxypropan-2-yl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CC(CO)NC(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C
butanedioic acid O4-[4-(dimethylamino)-2-[[14-ethyl-7,12,13-trihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl)oxy]-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-6-methyl-3-oxanyl] ester O1-ethyl ester
CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)OC(=O)CCC(=O)OCC)(C)O)C)C)O)(C)O
Estazolam
C1C2=NN=CN2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4
Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 3-benzoate
CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5
13-Methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol
CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)O
Etafenone
CCN(CC)CCOC1=CC=CC=C1C(=O)CCC2=CC=CC=C2
Etanidazole
C1=CN(C(=N1)[N+](=O)[O-])CC(=O)NCCO
Etazolate
CCN1C2=NC=C(C(=C2C=N1)NN=C(C)C)C(=O)OCC
Ethacrynic acid
CCC(=C)C(=O)C1=C(C(=C(C=C1)OCC(=O)O)Cl)Cl
Tibutol
CCC(CO)NCCNC(CC)CO
Ethaverine
CCOC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OCC)OCC)OCC
Ethenzamide
CCOC1=CC=CC=C1C(=O)N
Diethyl Ether
CCOCC
Ethinamate
C#CC1(CCCCC1)OC(=O)N
17-Ethynylestra-1(10),2,4-triene-3,17-diol
CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O
Ethion
CCOP(=S)(OCC)SCSP(=S)(OCC)OCC
Ethoprophos
CCCSP(=O)(OCC)SCCC
Profenamine
CCN(CC)C(C)CN1C2=CC=CC=C2SC3=CC=CC=C31
Ethosuximide
CCC1(CC(=O)NC1=O)C
Ethotoin
CCN1C(=O)C(NC1=O)C2=CC=CC=C2
Ethoxyquin
CCOC1=CC2=C(C=C1)NC(C=C2C)(C)C
7-Ethoxyresorufin
CCOC1=CC2=C(C=C1)N=C3C=CC(=O)C=C3O2
Ethoxzolamide
CCOC1=CC2=C(C=C1)N=C(S2)S(=O)(=O)N
Ethyl loflazepate
CCOC(=O)C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F
Ethyl piperidinoacetylaminobenzoate
CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2CCCCC2
Ethylenediamine
C(CN)N
Etidronic Acid
CC(O)(P(=O)(O)O)P(=O)(O)O
Etilefrine
CCNCC(C1=CC(=CC=C1)O)O
Etizolam
CCC1=CC2=C(S1)N3C(=NN=C3CN=C2C4=CC=CC=C4Cl)C
Etodolac
CCC1=C2C(=CC=C1)C3=C(N2)C(OCC3)(CC)CC(=O)O
Etomidoline
CCN1C(C2=CC=CC=C2C1=O)NC3=CC=C(C=C3)OCCN4CCCCC4
5-[(7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
CC1OCC2C(O1)C(C(C(O2)OC3C4COC(=O)C4C(C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O
2-Hydroxy-2-phenylacetic acid (1,2,6,6-tetramethyl-3-piperidinyl) ester
CC1C(CCC(N1C)(C)C)OC(=O)C(C2=CC=CC=C2)O
Eugenol
COC1=C(C=CC(=C1)CC=C)O
Azovan Blue
CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=C(C=C3)C(=CC(=C4N)S(=O)(=O)O)S(=O)(=O)O)O)C)N=NC5=C(C6=C(C=C5)C(=CC(=C6N)S(=O)(=O)O)S(=O)(=O)O)O
Exalamide
CCCCCCOC1=CC=CC=C1C(=O)N
Famciclovir
CC(=O)OCC(CCN1C=NC2=CN=C(N=C21)N)COC(=O)C
Pepcid
C1=C(N=C(S1)N=C(N)N)CSCCC(=NS(=O)(=O)N)N
Famprofazone
CC(C)C1=C(N(N(C1=O)C2=CC=CC=C2)C)CN(C)C(C)CC3=CC=CC=C3
Carbonyl cyanide p-trifluoromethoxyphenylhydrazone
C1=CC(=CC=C1NN=C(C#N)C#N)OC(F)(F)F
Felbamate
C1=CC=C(C=C1)C(COC(=O)N)COC(=O)N
Felbinac
C1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)O
Felodipine
CCOC(=O)C1=C(NC(=C(C1C2=C(C(=CC=C2)Cl)Cl)C(=O)OC)C)C
Fenbendazole
COC(=O)NC1=NC2=C(N1)C=C(C=C2)SC3=CC=CC=C3
Fenbufen
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CCC(=O)O
Fendiline
CC(C1=CC=CC=C1)NCCC(C2=CC=CC=C2)C3=CC=CC=C3
Fenfluramine
CCNC(C)CC1=CC(=CC=C1)C(F)(F)F
Fenipentol
CCCCC(C1=CC=CC=C1)O
Fenofibrate
CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl
Fenoldopam
C1CNCC(C2=CC(=C(C(=C21)Cl)O)O)C3=CC=C(C=C3)O
Fenoprofen
CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)O
Fenoterol
CC(CC1=CC=C(C=C1)O)NCC(C2=CC(=CC(=C2)O)O)O
Fenspiride
C1CN(CCC12CNC(=O)O2)CCC3=CC=CC=C3
Fentanyl
CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3
Fenthion
CC1=C(C=CC(=C1)OP(=S)(OC)OC)SC
Fenvalerate
CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3
Fexofenadine
CC(C)(C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O)C(=O)O
Fipexide
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)COC4=CC=C(C=C4)Cl
Fipronil
C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F
Flavoxate
CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCCN3CCCCC3)C4=CC=CC=C4
Flecainide
C1CCNC(C1)CNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F
Fleroxacin
CN1CCN(CC1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)CCF)F
Floctafenine
C1=CC=C(C(=C1)C(=O)OCC(CO)O)NC2=C3C=CC=C(C3=NC=C2)C(F)(F)F
Flopropione
CCC(=O)C1=C(C=C(C=C1O)O)O
5-Fluoro-2'-deoxyuridine
C1C(C(OC1N2C=C(C(=O)NC2=O)F)CO)O
Fluconazole
C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O
Flucytosine
C1=NC(=O)NC(=C1F)N
Fludiazepam
CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F
Flufenamic acid
C1=CC=C(C(=C1)C(=O)O)NC2=CC=CC(=C2)C(F)(F)F
Fluphenazine
C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO
Flumazenil
CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)F)C
Flumequine
CC1CCC2=C3N1C=C(C(=O)C3=CC(=C2)F)C(=O)O
Flunitrazepam
CN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3F
2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid
C1=CC=C(C(=C1)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O)C(=O)O
Fluorouracil
C1=C(C(=O)NC(=O)N1)F
Fluoxetine
CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F
9-Fluoro-11,17-dihydroxy-10,13,17-trimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
CC12CCC(=O)C=C1CCC3C2(C(CC4(C3CCC4(C)O)C)O)F
Fluphenazine Decanoate
CCCCCCCCCC(=O)OCCN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F
Fluphenazine Enanthate
CCCCCCC(=O)OCCN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F
Flurazepam
CCN(CC)CCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F
Flurbiprofen
CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)O
Flurbiprofen axetil
CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)OC(C)OC(=O)C
Fluspirilene
C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F
Flutamide
CC(C)C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F
Flutazolam
C1COC2(N1CC(=O)N(C3=C2C=C(C=C3)Cl)CCO)C4=CC=CC=C4F
Flutoprazepam
C1CC1CN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4F
Flutrimazole
C1=CC=C(C=C1)C(C2=CC=C(C=C2)F)(C3=CC=CC=C3F)N4C=CN=C4
Fomepizole
CC1=CNN=C1