MonarchInit/C3PO huggingface dataset:
Compound: 16beta-Chloroandrost-4-ene-3,17-dione
SMILES: C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1C[C@H](Cl)C2=O
Compound: 11beta,17beta-Dihydroxy-6alpha,17-dimethylandrost-4-en-3-one
SMILES: C[C@H]1C[C@H]2[C@@H]3CC[C@](C)(O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12
Compound: 17beta-Hydroxy-2,17-dimethyl-5alpha-androst-1-en-3-one
SMILES: CC1=C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)CC[C@H]23)CC1=O
Compound: 3beta-(1-Pyrrolidinyl)-5alpha-pregnane-11,20-dione
SMILES: CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3C(=O)C[C@]12C)N1CCCC1
Compound: 3-(2-allyloxy)estra-1,3,5(10)-triene-16,17-dione 16-oxime
SMILES: [C@]12([C@]3([C@@](C4=C(C=C(C=C4)OCC=C)CC3)(CC[C@]2(C)C(C(C1)=NO)=O)[H])[H])[H]
Compound: 2beta,21-Dihydroxypregn-4-ene-3,20-dione
SMILES: C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)[C@@H](O)C[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
Compound: 19-Norpregna-4,17(20)-dien-3-one
SMILES: C\C=C1/CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
Compound: penbutolol
SMILES: CC(C)(C)NC[C@H](O)COc1ccccc1C1CCCC1
Compound: 17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde
SMILES: C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC=C(C[C@]34C)C=O)[C@@H]1CC[C@@H]2O
Compound: 3-Hydroxy-2-nitroestra-1,3,5(10)-trien-17-one
SMILES: C[C@]12CC[C@H]3[C@@H](CCc4cc(O)c(cc34)[N+]([O-])=O)[C@@H]1CCC2=O
Compound: 2,3-dihydro-2-(4-hydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one
SMILES: COc1cc2OC(CC(=O)c2c(OC)c1OC)c1ccc(O)cc1
Compound: 17beta-Methylestra-1,3,5(10)-trien-3-ol
SMILES: C[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C
Compound: 4,4'-(Diphenylethenylidene)bis[N,N-dimethylbenzenamine]
SMILES: CN(C)c1ccc(cc1)C(=C(c1ccccc1)c1ccccc1)c1ccc(cc1)N(C)C
Compound: 11alpha,17beta-Dihydroxy-2alpha,17-dimethylandrost-4-en-3-one
SMILES: C[C@@H]1C[C@]2(C)[C@H]3[C@H](O)C[C@@]4(C)[C@@H](CC[C@]4(C)O)[C@@H]3CCC2=CC1=O
Compound: 19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate
SMILES: CC(=O)O[C@H]1CC[C@]2(CCl)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC=C2C1
Compound: 19-Chloro-17beta-hydroxyandrost-4-en-3-one
SMILES: C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34CCl)[C@@H]1CC[C@@H]2O
Compound: L-365260
SMILES: CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1
Compound: 2,2-dimethyl-3,4-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate
SMILES: COc1ccc(cc1)C1=C(c2ccc(OC)cc2)C(C)(C)Oc2cc(OC(C)=O)ccc12
Compound: penbutolol sulfate
SMILES: S(O)(O)(=O)=O.C(NC(C)(C)C)[C@@H](COC1=C(C=CC=C1)C2CCCC2)O.C(NC(C)(C)C)[C@@H](COC1=C(C=CC=C1)C2CCCC2)O
Compound: alpha-Ethyl-alpha,beta-diphenyl-2-pyridineethanol
SMILES: CCC(O)(C(c1ccccc1)c1ccccn1)c1ccccc1
Compound: 3,6-Dimethoxy-19-norpregna-1,3,5,7,9-pentaen-20-one
SMILES: COc1ccc2c3CC[C@]4(C)[C@H](CC[C@H]4c3cc(OC)c2c1)C(C)=O
Compound: 3,6-Dimethoxyestra-1,3,5(10),6,8-pentaene-17beta-carboxylic acid methyl ester
SMILES: COC(=O)[C@H]1CC[C@H]2c3cc(OC)c4cc(OC)ccc4c3CC[C@]12C
Compound: 2-(4-hydroxyphenyl)-5,6,7,8-tetrahydroxy-4H-1-benzopyran-4-one
SMILES: Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)c(O)c2o1
Compound: 1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone
SMILES: COc1ccc(cc1)C(=O)CCN1CCOCC1
Compound: Hydroxystenozole
SMILES: C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5[nH]ncc5C[C@]4(C)[C@H]3CC[C@]12C
Compound: 16alpha-Hydroxycorticosterone
SMILES: C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1C[C@@H](O)[C@@H]2C(=O)CO
Compound: 17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one
SMILES: C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)[C@H](CO)C[C@]34C)[C@@H]1CC[C@@H]2O
Compound: 2alpha-Methyl-5alpha-androstane-3,17-dione
SMILES: C[C@@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]23)CC1=O
Compound: 3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile
SMILES: COc1ccc(cc1)C(\C#N)=C\c1cccc(N)c1
Compound: penciclovir
SMILES: Nc1nc2n(CCC(CO)CO)cnc2c(=O)[nH]1
Compound: GYKI 52466
SMILES: CC1=NN=C(c2ccc(N)cc2)c2cc3OCOc3cc2C1
Compound: 17-Methylandrost-5-ene-3beta,11beta,17beta-triol
SMILES: C[C@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
Compound: 4-(2-Pyrazinylethenyl)phenol
SMILES: Oc1ccc(\C=C\c2cnccn2)cc1
Compound: 2-[2-(4-Pyridinyl)-1-butenyl]phenol
SMILES: CC\C(=C/c1ccccc1O)c1ccncc1
Compound: 2,3-Dimethoxy-[2-(4-Pyridinyl)-1-butenyl]phenol
SMILES: CC\C(c1ccncc1)=C/c1cccc(OC)c1OC
Compound: 4-Chloro-[2-(4-Pyridinyl)-1-butenyl]phenol
SMILES: CC\C(c1ccncc1)=C/c1ccc(Cl)cc1
Compound: Pregna-5,16,20-triene-3beta,20-diol diacetate
SMILES: CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC=C4C(=C)OC(C)=O)[C@@H]3CC=C2C1
Compound: 11,17-Dimethyl-5alpha-androstane-11beta,17beta-diol
SMILES: C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3[C@@](C)(O)C[C@]12C
Compound: 7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one
SMILES: CC(=O)Oc1ccc2cc(-c3cccnc3)c(=O)oc2c1
Compound: (2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone
SMILES: CCCCc1oc2ccccc2c1C(=O)c1ccc(O)cc1
Compound: pencycuron
SMILES: Clc1ccc(CN(C2CCCC2)C(=O)Nc2ccccc2)cc1
Compound: 2,2-dimethyl-3-[4-(acetyloxy)phenyl]-4-ethyl-2H-1-benzopyran-7-ol acetate
SMILES: CCC1=C(c2ccc(OC(C)=O)cc2)C(C)(C)Oc2cc(OC(C)=O)ccc12
Compound: 7-hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one
SMILES: CCCc1c(-c2ccc(OC)cc2)c(=O)oc2cc(O)ccc12
Compound: 7-hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin
SMILES: C=1(C=CC2=C(C1)OC(C(=C2C)C3=CC=C(C=C3)OC)=O)O
Compound: 2,2-dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate
SMILES: CCCC1=C(c2ccc(OC)cc2)C(C)(C)Oc2cc(OC(C)=O)ccc12
Compound: 2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol
SMILES: CCC1=C(c2ccc(OC)cc2)C(C)(C)Oc2cc(O)ccc12
Compound: 2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate
SMILES: CCC1=C(c2ccc(OC)cc2)C(C)(C)Oc2cc(OC(C)=O)ccc12
Compound: 2,2,4-trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate
SMILES: CC(=O)Oc1ccc2C(C)=C(c3ccc(F)cc3)C(C)(C)Oc2c1
Compound: 3-Ethoxyandrosta-3,5-dien-17beta-ol propanoate
SMILES: CCOC1=CC2=CC[C@H]3[C@@H]4CC[C@H](OC(=O)CC)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1
Compound: 2alpha-Methyl-5alpha-androstane-3beta,17beta-diol
SMILES: C[C@@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@H]23)C[C@H]1O
Compound: 2,2,4-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate
SMILES: COc1ccc(cc1)C1=C(C)c2ccc(OC(C)=O)cc2OC1(C)C
Compound: 4',7-dimethoxy-2,2,4-trimethyl-Delta(3)-isoflavan
SMILES: COc1ccc(cc1)C1=C(C)c2ccc(OC)cc2OC1(C)C
Compound: 2,2-dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate
SMILES: CCCCC1(CCCC)Oc2cc(OC(C)=O)ccc2C(C)=C1c1ccc(OC)cc1
Compound: 17beta-Hydroxy-3-methoxyestra-1,3,5(10)-triene-17-carbonitrile
SMILES: COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#N)[C@@H]3CCc2c1
Compound: 3-Methoxy-D-homoestra-1,3,5(10),8,14-pentaen-17abeta-ol
SMILES: COc1ccc2c(CCC3=C2CC[C@]2(C)[C@@H](O)CCC=C32)c1
Compound: 17beta-(Hydroxymethyl)androst-4-en-3-one acetate
SMILES: CC(=O)OC[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Compound: 9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-2,20-dione
SMILES: CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C
Compound: alpha,alpha'-Diethyl-4,4'-bis(2-propynyloxy)stilbene
SMILES: CC\C(c1ccc(OCC#C)cc1)=C(\CC)c1ccc(OCC#C)cc1
Compound: 4-Chloro-alpha-[4-[2-(diethylamino)ethoxy]phenyl]-alpha-phenylbenzeneethanol
SMILES: CCN(CC)CCOc1ccc(cc1)C(O)(Cc1ccc(Cl)cc1)c1ccccc1
Compound: 17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate
SMILES: CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4OC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
Compound: 4,4'-(Butane-1,1-diyl)diphenol
SMILES: CCCC(c1ccc(O)cc1)c1ccc(O)cc1
Compound: D-penicillamine
SMILES: CC(C)(S)[C@@H](N)C(O)=O
Compound: 17beta-Hydroxy-1,17-dimethylestr-5(10)-en-3-one
SMILES: CC1CC(=O)CC2=C1[C@H]1CC[C@@]3(C)[C@@H](CC[C@]3(C)O)[C@@H]1CC2
Compound: 6beta-Fluoro-5alpha-hydroxypregnane-3,20-dione
SMILES: CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@@H](F)[C@@]4(O)CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Compound: 6beta,19-Epoxy-17beta-hydroxyandrost-4-en-3-one
SMILES: C[C@]12CC[C@H]3[C@@H](C[C@H]4OC[C@@]33CCC(=O)C=C43)[C@@H]1CC[C@@H]2O
Compound: 17alpha-Chloroethynylestradiol
SMILES: C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#CCl
Compound: 16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one
SMILES: C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1C[C@@H](F)[C@H]2O
Compound: 3-Fluoro-1-(4-hydroxyphenyl)-1-propanone
SMILES: Oc1ccc(cc1)C(=O)CCF
Compound: 5,6,7,4'-tetramethoxyisoflavone
SMILES: COc1ccc(cc1)-c1coc2cc(OC)c(OC)c(OC)c2c1=O
Compound: 3-Methoxyestra-1,3,5(10)-triene-16,17-dione 16-oxime
SMILES: COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](C\C(=N/O)C4=O)[C@@H]3CCc2c1
Compound: 9-Fluoro-11beta-hydroxypregna-4,16-diene-3,20-dione
SMILES: CC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C
Compound: 4-benzyloxy-2'-hydroxy-3',4',5',6'-tetramethoxychalcone
SMILES: COc1c(O)c(C(=O)\C=C\c2ccc(OCc3ccccc3)cc2)c(OC)c(OC)c1OC
Compound: trans-1,3,4,6,7,11b-Hexahydro-9-methoxy-2H-benzo[a]quinolizine-3-carboxylic acid ethyl ester
SMILES: CCOC(=O)[C@H]1CC[C@@H]2N(CCc3cc(OC)ccc23)C1
Compound: 4-(1-Ethyl-2-phenylbutyl)phenol
SMILES: CCC(C(CC)c1ccc(O)cc1)c1ccccc1
Compound: 1-Chloro-2-[1-(4-chlorophenyl)ethenyl]benzene
SMILES: Clc1ccc(cc1)C(=C)c1ccccc1Cl
Compound: 2,3-Diphenyl-3-(2-pyridinyl)acrylonitrile
SMILES: N#C\C(c1ccccc1)=C(/c1ccccc1)c1ccccn1
Compound: 17-Methyl-18-norandrosta-4,13(17)-dien-3-one
SMILES: CC1=C2CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]2CC1
Compound: 3-allyloxyestra-1,3,5(10),7-tetraene-16,17-dione dioxime
SMILES: [C@]12(C=3[C@@](C4=C(C=C(C=C4)OCC=C)CC3)(CC[C@]2(C)C(C(C1)=NO)=NO)[H])[H]
Compound: 3-Hydroxyestra-1,3,5(10),7-tetraene-16,17-dione 16-oxime
SMILES: C[C@]12CC[C@H]3C(=CCc4cc(O)ccc34)[C@@H]1C\C(=N/O)C2=O
Compound: 4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate
SMILES: CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C(F)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Compound: 1,6-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid
SMILES: COc1cccc(CCn2cc(ccc2=O)C(O)=O)c1
Compound: 17-Hydroxy-3-oxo-17alpha-pregna-1,4-diene-21-carboxylic acid, gamma-lactone
SMILES: C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@@]21CCC(=O)O1
Compound: 9-Fluoro-17beta-hydroxy-6alpha,17-dimethylandrost-4-ene-3,11-dione
SMILES: C[C@H]1C[C@H]2[C@@H]3CC[C@](C)(O)[C@@]3(C)CC(=O)[C@]2(F)[C@@]2(C)CCC(=O)C=C12
Compound: 9-Fluoro-11beta,17beta-dihydroxy-16alpha-methylandrosta-1,4-dien-3-one
SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1O
Compound: 3beta-Fluoroandrost-5-en-17beta-ol
SMILES: C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](F)CC[C@]34C)[C@@H]1CC[C@@H]2O
Compound: GYKI 52895
SMILES: CC1Cc2cc3OCOc3cc2C(=NN1)c1ccc(N)cc1
Compound: coumestrol diacetate
SMILES: CC(=O)Oc1ccc2c(c1)oc1c2c(=O)oc2cc(OC(C)=O)ccc12
Compound: GV 150013X
SMILES: O=C(N[C@@H]1C(=O)N(CC23CC4CC(CC(C4)C2)C3)c2ccccc2N(c2ccccc2)C1=O)Nc1ccccc1
Compound: Androst-5-ene-3beta,17beta,19-triol
SMILES: C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34CO)[C@@H]1CC[C@@H]2O
Compound: 21-Fluoro-11beta-hydroxypregn-4-ene-3,20-dione
SMILES: C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CF
Compound: 17beta-Hydroxy-2alpha,17-dimethyl-5alpha-androstan-3-one
SMILES: C[C@@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)CC[C@H]23)CC1=O
Compound: 4',6-dihydroxy-5,7-dimethoxyflavone
SMILES: COc1cc2oc(cc(=O)c2c(OC)c1O)-c1ccc(O)cc1
Compound: 17-Methyl-5-alpha-androst-2-en-17-beta-ol
SMILES: C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC=CC[C@]4(C)[C@H]3CC[C@]12C
Compound: 1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acid
SMILES: OC(=O)C1CCC(=O)c2ccccc12
Compound: 11alpha,17beta-Dihydroxy-1,4-androstadien-3-one
SMILES: C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2O
Compound: LY-202769
SMILES: CC(C)Oc1cccc(c1)-n1c(CCc2c[nH]c3ccc(Cl)cc23)nc2ccccc2c1=O
Compound: 9-Fluoro-16alpha-hydroxyandrost-4-ene-3,11,17-trione
SMILES: C[C@]12CC(=O)[C@@]3(F)[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1C[C@@H](O)C2=O
Compound: 3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime
SMILES: C[C@@H](\C=N\O)[C@H]1CC[C@H]2[C@@H]3CCC4=C\C(CC[C@]4(C)[C@H]3CC[C@]12C)=N\O
Compound: 3-Methoxyestra-1,3,5(10),16-tetraene
SMILES: COc1ccc2[C@H]3CC[C@]4(C)C=CC[C@H]4[C@@H]3CCc2c1
Compound: 17beta-Hydroxy-6alpha,17-dimethylandrost-4-en-3-one
SMILES: C[C@H]1C[C@H]2[C@@H]3CC[C@](C)(O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12
Compound: gardenin B
SMILES: COc1ccc(cc1)-c1cc(=O)c2c(O)c(OC)c(OC)c(OC)c2o1
Compound: 1-[6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-yl]ethanone
SMILES: CC(=O)c1c(oc2cc(O)ccc12)-c1ccc(O)cc1
Compound: benzylpenicillin potassium
SMILES: [K+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)Cc1ccccc1)C([O-])=O
Compound: 1-[2-(4-Hydroxyphenyl)-1-benzofuran-3-yl]ethanone
SMILES: CC(=O)c1c(oc2ccccc12)-c1ccc(O)cc1
Compound: 4,4-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate
SMILES: CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC=C4C(F)(F)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Compound: 9-Fluoro-11beta,17beta-dihydroxy-2,17-dimethylandrost-4-en-3-one
SMILES: CC1C[C@@]2(C)C(CC[C@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)C[C@H](O)[C@]23F)=CC1=O
Compound: 3-Methoxy-5,10-seco-5,19-cycloandrosta-1(10),2,4-trien-17-one
SMILES: COC1=CC=C2CC(CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]23)=C1
Compound: 11beta-Hydroxy-6alpha,11-dimethylpregn-4-ene-3,20-dione
SMILES: C[C@H]1C[C@H]2[C@@H]3CC[C@H](C(C)=O)[C@@]3(C)C[C@](C)(O)[C@@H]2[C@@]2(C)CCC(=O)C=C12
Compound: 2alpha-Methylpregn-4-ene-3,20-dione
SMILES: C[C@@H]1C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4C(C)=O)[C@@H]3CCC2=CC1=O
Compound: 3-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-17-ol
SMILES: CC[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(C)ccc4[C@H]3CC[C@]12C
Compound: 2,3-dihydro-2-(4-methoxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one
SMILES: COc1ccc(cc1)C1CC(=O)c2c(O1)cc(OC)c(OC)c2OC
Compound: B-norcholest-4-en-3-one
SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C
Compound: alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid
SMILES: COc1ccc(cc1)C(\C(O)=O)=C\c1ccncc1
Compound: alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile
SMILES: COc1ccc(cc1)C(=C\c1ccccn1)\C#N
Compound: 1,1-Dichloro-2,2-diphenylethane
SMILES: ClC(Cl)C(c1ccccc1)c1ccccc1
Compound: 3-Methoxy-D-homoestra-1,3,5(10),8-tetraen-17a-one
SMILES: COc1ccc2c(CCC3=C2CC[C@@]2(C)[C@H]3CCCC2=O)c1
Compound: N-(Cyclohexylmethyl)-N-methylbenzenamine
SMILES: CN(CC1CCCCC1)c1ccccc1
Compound: 2,17beta-Dihydroxy-17-methylandrosta-1,4-dien-3-one
SMILES: C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C(O)=C[C@]4(C)[C@H]3CC[C@]12C
Compound: 6alpha-Fluoropregn-4-ene-3,20-dione
SMILES: CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Compound: 1'H-5alpha-Androst-2-eno[3,2-b]indol-17beta-ol
SMILES: C[C@]12CC[C@H]3[C@@H](CC[C@H]4Cc5[nH]c6ccccc6c5C[C@]34C)[C@@H]1CC[C@@H]2O
Compound: Estra-1,3,5(10)-triene-2,17beta-diol
SMILES: C[C@]12CC[C@H]3[C@@H](CCc4ccc(O)cc34)[C@@H]1CC[C@@H]2O
Compound: 6beta,19-Epoxypregn-4-ene-3,20-dione
SMILES: CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H]4OC[C@@]5(CCC(=O)C=C45)[C@H]3CC[C@]12C
Compound: 2,5-Dimethoxystilbene
SMILES: COc1ccc(OC)c(\C=C\c2ccccc2)c1
Compound: Penicillin T
SMILES: CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccc(N)cc3)C(=O)N2[C@H]1C(O)=O
Compound: 11alpha,12alpha-Epoxy-5beta-pregnane-3,20-dione
SMILES: CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3[C@@H]3O[C@@H]3[C@]12C
Compound: 4-Methyl-4-aza-5-pregnene-3,20-dione
SMILES: CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4C(C)=O)[C@@H]3CC=C12
Compound: 3-(1,2,3,4-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone
SMILES: Oc1ccc2CC(CCc2c1)C1CCC(=O)C1
Compound: 3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate
SMILES: CC(=O)O[C@H]1CC[C@]2(C=O)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC=C2C1
Compound: 3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one
SMILES: C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CCC(=O)O2
Compound: 17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one
SMILES: C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)[C@H](CO)C[C@]4(C)[C@H]3CC[C@]12C
Compound: 17beta-Methoxyandrost-5-ene-3beta,16beta-diol
SMILES: CO[C@H]1[C@@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Compound: D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate
SMILES: CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCCO[C@@]4(C)CC[C@H]23)C1
Compound: 3,3-Difluoro-17-methyl-5alpha-androstan-17beta-ol
SMILES: C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(F)(F)CC[C@]4(C)[C@H]3CC[C@]12C
Compound: N-(Phenylmethyl)-N-methyl-2-pyridinamine
SMILES: CN(Cc1ccccc1)c1ccccn1
Compound: 3-Methoxy-D-homoestra-1,3,5(10),8-tetraen-17abeta-ol
SMILES: COc1ccc2c(CCC3=C2CC[C@]2(C)[C@@H](O)CCC[C@@H]32)c1
Compound: (2-Butylbenzofuran-3-yl)(4-hydroxy-3,5-diiodophenyl)ketone
SMILES: CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(O)c(I)c1
Compound: 16beta,17beta-Dihydroxy-16-methylestr-4-en-3-one
SMILES: C[C@]1(O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@H]1O
Compound: 4,4-Bis[4-(acetyloxy)phenyl]3-hexanone
SMILES: CCC(=O)C(CC)(c1ccc(OC(C)=O)cc1)c1ccc(OC(C)=O)cc1
Compound: Pregna-4,16-diene-3,11,20-trione
SMILES: CC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C
Compound: 9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-1,4-diene-3,17-dione
SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)C1=O
Compound: 9-Fluoro-16alpha-methylpregn-4-ene-3,11,20-trione
SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)C(=O)C[C@]2(C)[C@H]1C(C)=O
Compound: 17beta-Acetamidoandrost-4-en-3-one
SMILES: CC(=O)N[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Compound: 14-Hydroxyandrosta-1,4-diene-3,17-dione
SMILES: C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@]1(O)CCC2=O
Compound: 17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate
SMILES: CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4OC(=O)C=C[C@@H]4[C@H]3CC[C@]12C
Compound: phenoxymethylpenicillin potassium
SMILES: [K+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)COc1ccccc1)C([O-])=O
Compound: 4,4-Difluoropregn-5-ene-3,20-dione
SMILES: CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C(F)(F)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Compound: (-)-Methallenestrilphenol
SMILES: CC[C@@H](c1ccc2cc(O)ccc2c1)C(C)(C)C(O)=O
Compound: 4beta,5beta-Epoxypregnane-3,20-dione
SMILES: CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@]45O[C@H]4C(=O)CC[C@]5(C)[C@H]3CC[C@]12C
Compound: 9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-3,20-dione
SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(Br)[C@@H](O)C[C@]2(C)[C@H]1C(C)=O
Compound: 3-Acetyl-5alpha-androst-2-en-17beta-ol
SMILES: CC(=O)C1=CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@H]23)C1
Compound: 3-Acetyl-5alpha-androstane-3beta,17beta-diol 3-acetate
SMILES: CC(=O)O[C@]1(CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@H]23)C1)C(C)=O
Compound: 3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one
SMILES: C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@](O)(CC[C@]34C)C#C)[C@@H]1CCC2=O
Compound: 3beta,13-dihydroxy-16-(hydroxymethylene)-13,17-seco-5alpha-androstan-17-oic acid, delta-lactone
SMILES: C/1(\C(=O)O[C@@]2([C@@]([C@]3([C@@]([C@@]4([C@](C[C@H](CC4)O)(CC3)[H])C)(CC2)[H])[H])([H])C1)C)=C\O
Compound: 2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol
SMILES: CCC1=C(c2ccc(OC)cc2)C(C)(C)Oc2cc(O)c(CN3CCCC3)cc12
Compound: 2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate
SMILES: CCC1=C(c2ccc(OC)cc2)C(C)(C)Oc2c(COC(C)=O)c(OC(C)=O)ccc12
Compound: 2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol
SMILES: CCC1=C(c2ccc(OC)cc2)C(C)(C)Oc2c(CN3CCCC3)c(O)ccc12
Compound: 17-[(Benzylamino)methyl]estra-1,3,5(10)-triene-3,17beta-diol
SMILES: C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)CNCc1ccccc1
Compound: 12alpha-Fluoro-11beta,17beta-dihydroxyandrost-4-en-3-one
SMILES: C[C@@]12[C@@H](O)CC[C@H]1[C@@H]1CCC3=CC(=O)CC[C@]3(C)[C@H]1[C@@H](O)[C@@H]2F
Compound: 12alpha-Fluoro-11beta,17beta-dihydroxyandrosta-1,4-dien-3-one
SMILES: C[C@@]12[C@@H](O)CC[C@H]1[C@@H]1CCC3=CC(=O)C=C[C@]3(C)[C@H]1[C@@H](O)[C@@H]2F
Compound: 5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate
SMILES: CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)[C@H](F)C[C@]4(C)[C@H]3CC[C@]12C
Compound: 3-Methoxy-19-norpregna-1,3,5(10)-trien-20-one
SMILES: COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4C(C)=O)[C@@H]3CCc2c1
Compound: 4,4'-(2-Ethyl-1-butenylidene)diphenol
SMILES: CCC(CC)=C(c1ccc(O)cc1)c1ccc(O)cc1
Compound: 16alpha-Fluoroandrost-4-ene-3,17-dione
SMILES: C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1C[C@@H](F)C2=O
Compound: 17-Methyl-18,19-dinor-17alpha-pregna-4,13-dien-3-one
SMILES: CC[C@]1(C)CCC2=C1CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12
Compound: 17beta-Hydroxyestr-4-en-3-one benzoate
SMILES: C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2OC(=O)c1ccccc1
Compound: 6alpha-Fluoro-11beta,17-dihydroxypregn-4-ene-3,20-dione
SMILES: CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
Compound: 3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester
SMILES: CCOP(O)(=O)C1C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(C)=O
Compound: Estra-1,3,5-(10)-trien-17-one-3-oxyacetic acid
SMILES: C[C@]12CC[C@H]3[C@@H](CCc4cc(OCC(O)=O)ccc34)[C@@H]1CCC2=O
Compound: 17beta-Hydroxy-4,17-dimethyl-4-azaandrost-5-en-3-one
SMILES: CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(C)O)[C@@H]3CC=C12
Compound: 17-Methyl-5alpha-androst-2-ene-1alpha,17beta-diol
SMILES: C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC=C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C
Compound: 17-Methylandrosta-2,4-dieno[2,3-d]isoxazol-17beta-ol
SMILES: C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]12C
Compound: 5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone
SMILES: OCCN\N=C\c1ccc(o1)[N+]([O-])=O
Compound: 1,1-Diphenyl-2-(4-methoxyphenyl)propene
SMILES: COc1ccc(cc1)C(C)=C(c1ccccc1)c1ccccc1
Compound: 17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate
SMILES: CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C(SC(C)=O)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Compound: Temsirolimus
SMILES: CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1OC(=O)C(C)(CO)CO
Compound: 19-Hydroxytabersonine
SMILES: COC(=O)C1=C2Nc3ccccc3[C@@]22CCN3CC=C[C@](C1)(C(C)O)[C@@H]23
Compound: AP 23573
SMILES: CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1OP(C)(C)=O
Compound: 17beta-Hydroxy-6alpha-methylandrost-4-en-3-one
SMILES: C[C@H]1C[C@H]2[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12
Compound: 21-Acetyloxy-17-hydroxypregna-1,4-diene-3,20-dione
SMILES: CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
Compound: 5alpha,17alpha-Pregn-2-en-20-yn-17-ol acetate
SMILES: CC(=O)O[C@]1(CC[C@H]2[C@@H]3CC[C@H]4CC=CC[C@]4(C)[C@H]3CC[C@]12C)C#C
Compound: 11beta,12beta-Epoxypregn-4-ene-3,20-dione
SMILES: CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H]3O[C@H]3[C@]12C
Compound: 19-Nor-5alpha-pregnane-3,20-dione
SMILES: CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
Compound: 3-(4-chlorophenyl)-2H-1-benzopyran-2-one
SMILES: Clc1ccc(cc1)-c1cc2ccccc2oc1=O
Compound: 12alpha-Methylpregna-4,9(11)-diene-3,20-dione
SMILES: C[C@H]1C=C2[C@@H](CCC3=CC(=O)CC[C@]23C)[C@@H]2CC[C@H](C(C)=O)[C@@]12C
Compound: (2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone
SMILES: CC(C)c1oc2ccccc2c1C(=O)c1ccc(O)cc1
Compound: 9beta,11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one
SMILES: C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]33O[C@H]3C[C@]12C
Compound: Androsta-4,9(11)-diene-3,17-dione
SMILES: C[C@]12CC=C3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
Compound: 3,4-Dihydro-8,9-dihydroxy-1(2H)-anthracenone
SMILES: Oc1cccc2cc3CCCC(=O)c3c(O)c12
Compound: 17beta-Pyrazol-3-ylandrost-5-en-3beta-ol
SMILES: C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2c1cc[nH]n1
Compound: 3-Ethyl-5alpha-androstane-3alpha,17beta-diol
SMILES: CC[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@H]23)C1
Compound: 3-Ethynyl-5alpha-androstane-3beta,17beta-diol
SMILES: C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@](O)(CC[C@]34C)C#C)[C@@H]1CC[C@@H]2O
Compound: 9beta,11beta-Epoxyandrost-4-ene-3,17-dione
SMILES: C[C@]12C[C@@H]3O[C@]33[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
Compound: 5beta-Estrane-3alpha,17beta-diol
SMILES: C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@H]34)[C@@H]1CC[C@@H]2O
Compound: 2'-Chloro-4-biphenylol
SMILES: Oc1ccc(cc1)-c1ccccc1Cl
Compound: 6-hydroxy-2'-methoxyflavone
SMILES: COc1ccccc1-c1cc(=O)c2cc(O)ccc2o1
Compound: 3,3-Bis(4-hydroxyphenyl)pentane
SMILES: CCC(CC)(c1ccc(O)cc1)c1ccc(O)cc1
Compound: 17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate
SMILES: C[C@]12CC[C@H]3[C@@H](CCc4cc(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)ccc34)[C@@H]1CC[C@@H]2OS(O)(=O)=O
Compound: Bisphenol A bis(2-hydroxypropyl) ether
SMILES: CC(O)COc1ccc(cc1)C(C)(C)c1ccc(OCC(C)O)cc1
Compound: Bisphenol A ethoxylate diacrylate
SMILES: CC(C)(c1ccc(OCCOC(=O)C=C)cc1)c1ccc(OCCOC(=O)C=C)cc1
Compound: 1,1-Bis(4-hydroxyphenyl)propane
SMILES: CCC(c1ccc(O)cc1)c1ccc(O)cc1
Compound: 4,4-Bis(4-hydroxyphenyl)heptane
SMILES: CCCC(CCC)(c1ccc(O)cc1)c1ccc(O)cc1
Compound: 2,2',5-Trichloro-4-hydroxybiphenyl
SMILES: Oc1cc(Cl)c(cc1Cl)-c1ccccc1Cl
Compound: 2,2',3',4,4',5,5'-Heptachloro-3-biphenylol
SMILES: Oc1c(Cl)c(Cl)cc(c1Cl)-c1cc(Cl)c(Cl)c(Cl)c1Cl
Compound: 3-Hydroxyestra-1,3,5(10)-trien-16-one
SMILES: C[C@@]12CC(=O)C[C@H]1[C@@H]1CCc3cc(O)ccc3[C@H]1CC2
Compound: 3-Methoxyestriol
SMILES: COc1ccc2[C@H]3CC[C@]4(C)[C@@H](O)[C@H](O)C[C@H]4[C@@H]3CCc2c1
Compound: 4-[1-Ethyl-2-(4-methylphenyl)butyl]phenol
SMILES: CCC(C(CC)c1ccc(O)cc1)c1ccc(C)cc1
Compound: 2,2',4,4'-Tetrahydroxybenzil
SMILES: Oc1ccc(C(=O)C(=O)c2ccc(O)cc2O)c(O)c1
Compound: 2,6-Dimethylhexestrol
SMILES: CCC(C(CC)c1c(C)cc(O)cc1C)c1ccc(O)cc1
Compound: 2-Chloro-4-methylphenol
SMILES: Cc1ccc(O)c(Cl)c1
Compound: 3,6,4'-trihydroxyflavone
SMILES: Oc1ccc(cc1)-c1oc2ccc(O)cc2c(=O)c1O
Compound: Tributyltin chloride
SMILES: CCCC[Sn](Cl)(CCCC)CCCC
Compound: beta-Estradiol 17-acetate
SMILES: CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C
Compound: ziram
SMILES: CN(C)C(=S)S[Zn]SC(=S)N(C)C
Compound: iprobenfos
SMILES: CC(C)OP(=O)(OC(C)C)SCc1ccccc1
Compound: 8-Hydroxy-2,3,4-trichlorodibenzofuran
SMILES: Oc1ccc2oc3c(Cl)c(Cl)c(Cl)cc3c2c1
Compound: 8-Hydroxy-2-chlorodibenzofuran
SMILES: Oc1ccc2oc3ccc(Cl)cc3c2c1
Compound: 8-Hydroxy-3,4,6-trichlorodibenzofuran
SMILES: Oc1cc(Cl)c2oc3c(Cl)c(Cl)ccc3c2c1
Compound: 8-Hydroxy-3,4-dichlorodibenzofuran
SMILES: Oc1ccc2oc3c(Cl)c(Cl)ccc3c2c1
Compound: 6-Hydroxy-3,4-dichlorodibenzofuran
SMILES: Oc1cccc2c1oc1c(Cl)c(Cl)ccc21
Compound: 8-hydroxy-3-chlorodibenzofuran
SMILES: Oc1ccc2oc3cc(Cl)ccc3c2c1
Compound: 8-chloro-2,7-dibenzofurandiol
SMILES: Oc1ccc2oc3cc(O)c(Cl)cc3c2c1
Compound: 3-hydroxy-2,8-dichlorodibenzofuran
SMILES: Oc1cc2oc3ccc(Cl)cc3c2cc1Cl
Compound: 7-hydroxy-1,2,3,6,8-pentachlorodibenzofuran
SMILES: Oc1c(Cl)cc2c(oc3cc(Cl)c(Cl)c(Cl)c23)c1Cl
Compound: 7-hydroxy-3,4-dichlorodibenzofuran
SMILES: Oc1ccc2c(c1)oc1c(Cl)c(Cl)ccc21
Compound: 9-hydroxy-3,4-dichlorodibenzofuran
SMILES: Oc1cccc2oc3c(Cl)c(Cl)ccc3c12
Compound: 9-hydroxy-2,6-dichlorodibenzofuran
SMILES: Oc1ccc(Cl)c2oc3ccc(Cl)cc3c12
Compound: 4-hydroxy-2',3,5,5'-tetrachlorobiphenyl
SMILES: Oc1c(Cl)cc(cc1Cl)-c1cc(Cl)ccc1Cl
Compound: 2-(3,5-dichlorophenylcarbamoyl)-1,2-dimethylcyclopropane-1-carboxylic acid
SMILES: CC1(CC1(C)C(=O)Nc1cc(Cl)cc(Cl)c1)C(O)=O
Compound: 3-(3,4-dichlorophenyl)-1-hydroxy-1-methylurea
SMILES: C1=C(C(=CC(=C1)NC(N(O)C)=O)Cl)Cl
Compound: 3-aza-A-homocholest-4a-en-4-one
SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)NCC[C@]4(C)[C@H]3CC[C@]12C
Compound: 17beta-hydroxy-4alpha-methyl-5alpha-androstan-3-one
SMILES: [C@@]12([C@@]([C@@]3([C@]([C@@H](C(CC3)=O)C)(CC1)[H])C)(CC[C@@]4([C@H](CC[C@@]24[H])O)C)[H])[H]
Compound: 16beta-fluoro-17beta-hydroxyandrost-4-en-3-one propionate
SMILES: CCC(=O)O[C@H]1[C@@H](F)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Compound: 3-(allyloxy)estra-1,3,5(10)-triene-16alpha,17beta-diol
SMILES: C[C@]12CC[C@H]3[C@@H](CCc4cc(OCC=C)ccc34)[C@@H]1C[C@@H](O)[C@@H]2O
Compound: 1-methylestra-1,3,5(10),6-tetraene-3,17beta-diol
SMILES: Cc1cc(O)cc2C=C[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3c12
Compound: 6alpha-fluoro-17-hydroxycorticosterone 21-acetate
SMILES: CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
Compound: 17beta-hydroxyestr-5(10)-en-3-one
SMILES: C[C@]12CC[C@H]3[C@@H](CCC4=C3CCC(=O)C4)[C@@H]1CC[C@@H]2O
Compound: 17beta-hydroxy-2alpha-methylestr-4-en-3-one
SMILES: C[C@@H]1C[C@@H]2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCC2=CC1=O
Compound: 17beta-hydroxy-2alpha,17-dimethylestr-4-en-3-one
SMILES: C[C@@H]1C[C@@H]2[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(C)O)[C@@H]3CCC2=CC1=O
Compound: 5beta-pregn-11-ene-3,20-dione
SMILES: CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C=C[C@]12C
Compound: estra-1,3,5(10)-triene-3,16beta-diol
SMILES: C[C@@]12C[C@@H](O)C[C@H]1[C@@H]1CCc3cc(O)ccc3[C@H]1CC2
Compound: 3-methoxyestra-1,3,5(10)-trien-16beta-ol
SMILES: COc1ccc2[C@H]3CC[C@]4(C)C[C@@H](O)C[C@H]4[C@@H]3CCc2c1
Compound: A-norpregn-3(5)-ene-2,20-dione
SMILES: CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C[C@]4(C)[C@H]3CC[C@]12C
Compound: 17beta-hydroxy-5alpha-androstane acetate
SMILES: CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C
Compound: 16beta-methylpregn-4-ene-3,20-dione
SMILES: C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(C)=O
Compound: 17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate
SMILES: CCC(=O)O[C@H]1CCC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Compound: (17Z)-3,11-dioxopregna-4,17(20)-dien-21-oic acid methyl ester
SMILES: COC(=O)\C=C1\CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C
Compound: pentamidine isethionate
SMILES: OCCS(O)(=O)=O.OCCS(O)(=O)=O.NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Compound: trans-2-(4-nitrophenyl)-3-phenyloxirane
SMILES: [O-][N+](=O)c1ccc(cc1)[C@@H]1O[C@H]1c1ccccc1
Compound: 9-fluoro-11beta,17,21-trihydroxy-2alpha-methylpregn-4-ene-3,20-dione 21-acetate
SMILES: C[C@@H]1C[C@@]2(C)C(CC[C@H]3[C@@H]4CC[C@](O)(C(=O)COC(C)=O)[C@@]4(C)C[C@H](O)[C@]23F)=CC1=O
Compound: cycloguanil hydrochloride
SMILES: C=1(N(C(N=C(N1)N)(C)C)C=2C=CC(=CC2)Cl)N.Cl
Compound: 9-fluoro-2alpha-methylpregn-4-ene-3,11,20-trione
SMILES: C[C@@H]1C[C@@]2(C)C(CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC(=O)[C@]23F)=CC1=O
Compound: 3alpha,12alpha-dihydroxy-5beta-pregnan-20-one diacetate
SMILES: CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)[C@H](C[C@H]23)OC(C)=O)C1
Compound: 17beta-hydroxy-5alpha-androst-1-en-3-one propionate
SMILES: CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
Compound: allobetulinol
SMILES: CC1(C)CC[C@@]23CO[C@H]1[C@@H]2[C@H]1CC[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]2(C)[C@]1(C)CC3
Compound: 21-acetoxy-11beta,17-dihydroxy-6alpha-methylpregn-4-ene-3,20-dione
SMILES: C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(C)=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12
Compound: 2alpha-fluoro-17beta-hydroxyandrost-4-en-3-one
SMILES: C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)[C@H](F)C[C@]34C)[C@@H]1CC[C@@H]2O
Compound: 3-Hydroxy-19-norpregna-1,3,5(10)-trien-20-one
SMILES: CC(=O)[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C
Compound: 4,4'-(2-Methylpropylidene)bisphenol
SMILES: CC(C)C(c1ccc(O)cc1)c1ccc(O)cc1
Compound: 2-Amino-6-(benzylthio)purine
SMILES: Nc1nc(SCc2ccccc2)c2nc[nH]c2n1
Compound: 16alpha,17-Isopropylidenedioxy-6alpha-methylprogesterone
SMILES: C[C@H]1C[C@H]2[C@@H]3C[C@H]4OC(C)(C)O[C@@]4(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12
Compound: 17beta-Nitro-5alpha-androstane
SMILES: C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1CC[C@@H]2[N+]([O-])=O
Compound: 17beta-Hydroxyestr-5(10)-en-3-one acetate
SMILES: CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C(CCC(=O)C4)[C@H]3CC[C@]12C
Compound: 17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate
SMILES: C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2OC(=O)C1CCCCC1
Compound: 6beta,17beta-Dihydroxyandrost-4-en-3-one diacetate
SMILES: CC(=O)O[C@H]1CC[C@H]2[C@@H]3C[C@@H](OC(C)=O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Compound: 17alpha-Methyl-5alpha-androstane-3beta,11beta,17beta-triol
SMILES: C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
Compound: 4beta,5-Epoxy-17beta-hydroxy-5beta-androstan-3-one
SMILES: C[C@]12CC[C@H]3[C@@H](CC[C@]45O[C@H]4C(=O)CC[C@]35C)[C@@H]1CC[C@@H]2O
Compound: 11beta,17beta-Dihydroxy-17alpha-methylandrosta-1,4-dien-3-one
SMILES: C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
Compound: 5alpha-Androstane-11beta,17beta-diol
SMILES: C[C@]12C[C@H](O)[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1CC[C@@H]2O
Compound: 16alpha,17beta-Dihydroxyandrost-4-en-3-one dipropionate
SMILES: CCC(=O)O[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1OC(=O)CC
Compound: 2alpha,17beta-Dihydroxyandrost-4-en-3-one dipropionate
SMILES: CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)[C@@H](C[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CC
Compound: 6alpha-Hydroxycortisol
SMILES: C[C@]12C[C@H](O)[C@H]3[C@@H](C[C@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
Compound: A-Nor-5alpha-cholestan-2-one
SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C[C@]4(C)[C@H]3CC[C@]12C
Compound: 17beta-Hydroxyandrosta-4,9(11)-dien-3-one
SMILES: C[C@]12CC=C3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
Compound: N-Methylindolo[3,2-b]-5alpha-cholest-2-ene
SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4Cc5c(C[C@]4(C)[C@H]3CC[C@]12C)c1ccccc1n5C
Compound: 17beta-Hydroxy-3-methoxyestra-1,3,5(10)-trien-16-one
SMILES: COc1ccc2[C@H]3CC[C@]4(C)[C@@H](O)C(=O)C[C@H]4[C@@H]3CCc2c1
Compound: 4,4'-Dinitrostilbene
SMILES: [O-][N+](=O)c1ccc(cc1)\C=C\c1ccc(cc1)[N+]([O-])=O
Compound: 2,4-Dinitro-1-(3-nitrophenoxy)benzene
SMILES: [O-][N+](=O)c1cccc(Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)c1
Compound: 19-hydroxytestosterone
SMILES: [H][C@@]12CCC3=CC(=O)CC[C@]3(CO)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H]
Compound: 5alpha-Androstan-2-en-17beta-ol
SMILES: C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC=CC[C@]34C)[C@@H]1CC[C@@H]2O
Compound: 7alpha-Methyl-4-pregnene-3,20-dione
SMILES: C[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3C(C)=O)[C@H]12
Compound: Spiro[benzofuran-2(3H),1'-[2]cyclohexene]-7-chloro-4,6-dimethoxy-6'-methyl-2'-(methylthio)-3,4'-dione
SMILES: COc1cc(OC)c(Cl)c2OC3(C(C)CC(=O)C=C3SC)C(=O)c12
Compound: 2alpha-Methylpregn-4-ene-3,11,20-trione
SMILES: C[C@@H]1C[C@]2(C)[C@@H]3[C@@H](CCC2=CC1=O)[C@@H]1CC[C@H](C(C)=O)[C@@]1(C)CC3=O
Compound: 11beta,17,21-Trihydroxy-2alpha-methylpregn-4-ene-3,20-dione 21-acetate
SMILES: C[C@@H]1C[C@]2(C)[C@H]3[C@@H](O)C[C@@]4(C)[C@@H](CC[C@]4(O)C(=O)COC(C)=O)[C@@H]3CCC2=CC1=O
Compound: (Z)-11beta,21-Dihydroxypregna-1,4,17(20)-trien-3-one
SMILES: C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC\C2=C\CO
Compound: 3beta,19-Dihydroxyandrost-5-en-17-one 3-acetate
SMILES: CC(=O)O[C@H]1CC[C@]2(CO)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC=C2C1
Compound: 9-Chloro-11beta,17,21-trihydroxypregn-4-ene-3,20-dione 21-acetate
SMILES: CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]12C
Compound: 11alpha,17beta-Dihydroxyandrost-4-en-3-one
SMILES: C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
Compound: 17beta-Hydroxy-7alpha-methylandrost-1,4-diene-3-one
SMILES: C[C@@H]1CC2=CC(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12
Compound: 3-Hydroxy-1-methylestra-1,3,5(10),6-tetraen-17-one
SMILES: Cc1cc(O)cc2C=C[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]3c12
Compound: 17,21-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-3,20-dione
SMILES: C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]21OCC1=O
Compound: 6alpha-Fluoro-17-hydroxypregn-4-ene-3,20-dione acetate
SMILES: CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O
Compound: N,N-Bis(2-chloroethyl)-DL-alanine hydrochloride
SMILES: Cl.CC(N(CCCl)CCCl)C(O)=O
Compound: 9alpha-Fluoro-11beta-hydroxy-4-pregnene-3,20-dione
SMILES: CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C
Compound: 3,17beta-Diacetoxyestra-1,3,5(10)-trien-6-one
SMILES: CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC(=O)c4cc(OC(C)=O)ccc4[C@H]3CC[C@]12C
Compound: 11beta,17beta-Dihydroxyandrost-4-en-3-one 17-propionate
SMILES: CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
Compound: 1-Methylestra-1,3,5(10)-triene-3,17beta-diol
SMILES: Cc1cc(O)cc2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3c12
Compound: 5alpha-Androstane-2alpha-methyl-17beta-ol
SMILES: C[C@H]1CC[C@@H]2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C1
Compound: 9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-3,20-dione
SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(C)=O
Compound: pentazocine
SMILES: C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC=C(C)C
Compound: 17abeta-Hydroxy-D-homoandrost-4-en-3-one
SMILES: C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC[C@@H]2O
Compound: 9alpha-Fluoro-11beta,17alpha,21-trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione
SMILES: C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@]2(F)[C@@]2(C)C=CC(=O)C=C12
Compound: 21-Fluoro-11beta,17-dihydroxy-6alpha-methylpregn-4-ene-3,20-dione
SMILES: C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CF)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12
Compound: 6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate
SMILES: CCC(=O)O[C@H]1CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Compound: 2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate
SMILES: CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H]5[C@@H](C[C@]4(C)[C@H]3CC[C@]12C)C5(F)F
Compound: 3-Hydroxy-1-methylestra-1,3,5(10)-trien-17-one
SMILES: Cc1cc(O)cc2CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]3c12
Compound: Androst-4-ene-3beta,17beta-diol diacetate
SMILES: CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
Compound: 6-Azaequilenin
SMILES: C[C@]12CCc3c(cnc4cc(O)ccc34)[C@@H]1CCC2=O
Compound: 17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one
SMILES: C[C@@H]1C[C@H]2[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@H]23)CC1=O
Compound: 6alpha-Fluoropregn-4-ene-3,11,20-trione
SMILES: CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C
Compound: pentobarbital
SMILES: CCCC(C)C1(CC)C(=O)NC(=O)NC1=O
Compound: N,N-Diethyl-2-[4-[6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-yl]phenoxy]ethanamine hydrochloride
SMILES: Cl.CCN(CC)CCOc1ccc(cc1)C1=C(Cc2cc(OC)ccc12)c1ccc(OC)cc1
Compound: 21-Fluoro-11beta,17-dihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione
SMILES: C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CF)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
Compound: 3beta-Fluoro-5alpha-androstan-17beta-ol
SMILES: C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](F)CC[C@]34C)[C@@H]1CC[C@@H]2O
Compound: 17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate
SMILES: CCC(=O)O[C@H]1CC[C@H]2[C@@H]3C[C@@H](C)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Compound: 3beta-hydroxy-5alpha-androstane-7,17-dione
SMILES: [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C(=O)C[C@@]2([H])C[C@@H](O)CC[C@]12C
Compound: 3alpha-Hydroxy-5beta-pregn-16-ene-11,20-dione 3-acetate
SMILES: CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC=C(C(C)=O)[C@@]4(C)CC(=O)[C@H]23)C1
Compound: 17beta-Hydroxy-4,4-dimethylandrost-5-en-3-one
SMILES: C[C@]12CC[C@H]3[C@@H](CC=C4C(C)(C)C(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
Compound: 3beta-Hydroxy-5-androsten-16-one
SMILES: C[C@@]12CC(=O)C[C@H]1[C@@H]1CC=C3C[C@@H](O)CC[C@]3(C)[C@H]1CC2
Compound: 3beta,4-Dimethyl-4-aza-5alpha-cholestane
SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)[C@@H](C)CC[C@]4(C)[C@H]3CC[C@]12C
Compound: 3beta-Hydroxycholest-4-ene
SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Compound: Pentobarbital sodium
SMILES: [Na+].CCCC(C)C1(CC)C(=O)NC([O-])=NC1=O
Compound: 11beta,17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one
SMILES: C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C
Compound: 17alpha,2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one
SMILES: C[C@@H]1C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(C)O)[C@@H]3CCC2=CC1=O
Compound: 20,21,21-Trifluoro-3-methoxy-19-nor-17alpha-pregna-1,3,5(10),20-tetraen-17-ol
SMILES: COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C(F)=C(F)F)[C@@H]3CCc2c1
Compound: Fluorofelbamate
SMILES: NC(=O)OCC(F)(COC(N)=O)c1ccccc1
Compound: 17beta-Hydroxy-2alpha,17-dimethyl-4,9(11)-androstadien-3-one
SMILES: C[C@@H]1C[C@@]2(C)C(CC[C@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)CC=C23)=CC1=O
Compound: HR1917
SMILES: C1=C(C=CC(=C1[N+](=O)[O-])C(NC2=CC=C(C=C2)C=3NCCN3)=O)C(NC4=CC=C(C=C4)C=5NCCN5)=O.Cl.Cl
Compound: N-Butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILES: CCCCNc1ncnc2[nH]ncc12
Compound: 3beta-[(Tetrahydro-2H-pyran-2-yl)oxy]androst-5-en-17beta-ol
SMILES: C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](CC[C@]34C)OC3CCCCO3)[C@@H]1CC[C@@H]2O
Compound: 5alpha-Androstane-3beta,17beta-diol diacetate
SMILES: CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
Compound: 6-(Isopropylthio)purine
SMILES: CC(C)Sc1ncnc2nc[nH]c12
Compound: 6-(Allylthio)purine
SMILES: C=CCSc1ncnc2nc[nH]c12
Compound: 11beta,17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one
SMILES: C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
Compound: Estra-1,3,5(10)-triene-3,16alpha-diol dipropionate
SMILES: CCC(=O)O[C@@H]1C[C@H]2[C@@H]3CCc4cc(OC(=O)CC)ccc4[C@H]3CC[C@]2(C)C1
Compound: 7alpha-Hydroxytestololactone
SMILES: C[C@]12CC[C@H]3[C@@H]([C@H](O)CC4=CC(=O)CC[C@]34C)[C@@H]1CCC(=O)O2
Compound: 6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one
SMILES: C[C@]12CC[C@H]3[C@@H](CC(=C(Br)Br)C4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
Compound: 17alpha-Methyl-17beta-hydroxyandrosta-4,6-dien-3-one
SMILES: C[C@]1(O)CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Compound: 17beta-Hydroxy-17-methyl-5alpha-androstane-3,11-dione
SMILES: C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C
Compound: 11alpha-Hydroxy-5beta-pregnane-3,20-dione
SMILES: CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C
Compound: 17beta-Amino-5alpha-androstan-11beta-ol
SMILES: C[C@]12C[C@H](O)[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1CC[C@@H]2N
Compound: Cholesta-3,5-dien-7-one
SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3[C@H](CC[C@]12C)[C@@]1(C)CCC=CC1=CC3=O
Compound: Pentoxifylline
SMILES: CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O
Compound: 4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one
SMILES: C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(Cl)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Compound: 6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate
SMILES: CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC(=C(Br)Br)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Compound: Evadol hydrochloride
SMILES: Cl.COc1ccc(cc1)C(N)C(O)c1ccc(OC)cc1
Compound: Descinolone
SMILES: CC(=O)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C
Compound: 4-Nitroestrone
SMILES: C[C@]12CC[C@H]3[C@@H](CCc4c3ccc(O)c4[N+]([O-])=O)[C@@H]1CCC2=O
Compound: 6beta,11alpha-Dihydroxyprogesterone
SMILES: CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C
Compound: 15alpha-Hydroxyprogesterone
SMILES: CC(=O)[C@H]1C[C@H](O)[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Compound: 4-Pregnene-16alpha,21-diol-3,20-dione
SMILES: C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1C[C@@H](O)[C@@H]2C(=O)CO
Compound: Estrone 16-oxime
SMILES: C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C\C(=N/O)C2=O
Compound: 3beta-Methoxyandrost-5-en-16beta-ol
SMILES: CO[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C[C@@H](O)C[C@H]4[C@@H]3CC=C2C1
Compound: 5beta-Pregnane-3alpha,17alpha,20alpha-triol-11-one
SMILES: C[C@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C
Compound: 9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-3,20-dione
SMILES: C[C@@H]1C[C@@]2(C)C(CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)C[C@H](O)[C@]23F)=CC1=O
Compound: Androsta-5,16-dieno[17,16-b]quinolin-3beta-ol
SMILES: C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1Cc1cc3ccccc3nc21
Compound: 9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-3,11-dione
SMILES: C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(Br)C(=O)C[C@]12C
Compound: 11alpha,17beta-Dihydroxyandrost-4-en-3-one diacetate
SMILES: CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](C[C@]12C)OC(C)=O
Compound: 5alpha-Androstan-17beta-ol propionate
SMILES: CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C
Compound: 17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate
SMILES: CCC(=O)O[C@H]1CC[C@H]2[C@@H]3[C@H](C)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Compound: Apocholic acid
SMILES: C[C@H](CCC(O)=O)[C@H]1CCC2=C3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Compound: 17alpha-Methyl-5alpha-androstane-3alpha,17beta-diol
SMILES: C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Compound: B-norcholesterol
SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])C=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C
Compound: Pepsinostreptin
SMILES: CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O
Compound: 3beta-Hydroxylanostane-7,11-dione acetate
SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@H]3[C@H](C(=O)C[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1CC3=O
Compound: 9-Fluoro-11beta,16alpha-dihydroxypregn-4-ene-3,20-dione
SMILES: CC(=O)[C@H]1[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C
Compound: 6alpha,9-Difluoro-11beta-hydroxypregn-4-ene-3,20-dione
SMILES: CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C
Compound: Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triacetate
SMILES: CC(=O)O[C@H]1CC[C@H]2[C@@H]3C[C@H](OC(C)=O)c4cc(OC(C)=O)ccc4[C@H]3CC[C@]12C
Compound: (5-Phenyl-1,2,4-triazol-3-yl)urea
SMILES: NC(=O)Nc1nc(n[nH]1)-c1ccccc1
Compound: 12alpha-Hydroxy-5beta-pregnane-3,20-dione
SMILES: CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Compound: D-Homo-A-nor-17a-oxaandrost-3(5)-ene-2,17-dione
SMILES: C[C@]12CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)OC(=O)CC[C@@H]12
Compound: D-Homo-17a-oxaandrosta-4,6-diene-3,17-dione
SMILES: C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@]34C)[C@@H]1CCC(=O)O2
Compound: 1-Dehydro-9-fluoro-11-oxotestololactone
SMILES: C[C@]12CC(=O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CCC(=O)O2
Compound: 3-Methoxy-19-nor-17alpha-pregna-1,3,5(10),20-tetraen-17-ol
SMILES: COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C=C)[C@@H]3CCc2c1
Compound: pepstatin A
SMILES: CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O
Compound: 4,4'-Stilbenedicarboxamidine dihydrochloride
SMILES: C1(=CC=C(C=C1)/C=C/C2=CC=C(C=C2)C(N)=N)C(N)=N.Cl.Cl
Compound: 1alpha,5alpha-Epidithio-17a-oxa-D-homoandrostan-3,17-dione
SMILES: C[C@]12[C@@H]3CC(=O)C[C@@]1(CC[C@@H]1[C@@H]2CC[C@]2(C)OC(=O)CC[C@@H]12)SS3
Compound: 3alpha,12alpha-Dihydroxy-5beta-pregnan-20-one
SMILES: CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Compound: 1-Chloro-4-(2,2-dichloro-1-phenylethyl)benzene
SMILES: ClC(Cl)C(c1ccccc1)c1ccc(Cl)cc1
Compound: 2-Chlorobenzhydrol
SMILES: OC(c1ccccc1)c1ccccc1Cl
Compound: 2,2,2-Trifluoro-N-(6-oxo-6H-dibenzo[b,d]pyran-2-yl)acetamide
SMILES: FC(F)(F)C(=O)Nc1ccc2oc(=O)c3ccccc3c2c1
Compound: 17beta-Hydroxy-4-methylestr-4-en-3-one
SMILES: CC1=C2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@H]2CCC1=O
Compound: 3beta-Chloro-5-androsten-17beta-ol
SMILES: C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](Cl)CC[C@]34C)[C@@H]1CC[C@@H]2O
Compound: 6-(2-Chloroallylthio)purine
SMILES: ClC(=C)CSc1ncnc2nc[nH]c12
Compound: 10,13-Dimethyl-11-docosyne-10,13-diol
SMILES: CCCCCCCCCC(C)(O)C#CC(C)(O)CCCCCCCCC
Compound: 3,17-dioxoandrost-4-en-19-al
SMILES: [H][C@@]12CCC3=CC(=O)CC[C@]3(C=O)[C@@]1([H])CC[C@]1(C)C(=O)CC[C@@]21[H]
Compound: 17-Methyl-5alpha-androstane-11beta,17beta-diol
SMILES: C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
Compound: 9-Chloro-11beta,17beta-dihydroxy-17-methylandrost-4-en-3-one
SMILES: C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]12C
Compound: 11beta,17beta-Dihydroxy-4,17-dimethylandrost-4-en-3-one
SMILES: CC1=C2CC[C@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)C[C@H](O)[C@@H]3[C@@]2(C)CCC1=O
Compound: 17beta-Hydroxy-7alpha,17-dimethylandrosta-1,4-dien-3-one
SMILES: C[C@@H]1CC2=CC(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@]3(C)O)[C@H]12
Compound: 3alpha,11beta,17alpha-Trihydroxy-5beta-pregnan-20-one
SMILES: CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
Compound: 3beta,17-Dihydroxy-5alpha-pregnane-11,20-dione 3-acetate
SMILES: CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@](O)(C(C)=O)[C@@]4(C)CC(=O)[C@H]23)C1
Compound: 17beta-Carbomethoxyandrost-5-en-3beta-ol
SMILES: COC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Compound: 5alpha-Androst-1-ene-3,11,17-trione
SMILES: C[C@]12CC(=O)[C@H]3[C@@H](CC[C@H]4CC(=O)C=C[C@]34C)[C@@H]1CCC2=O
Compound: 9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-3,11-dione
SMILES: C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(Cl)C(=O)C[C@]12C
Compound: 2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate
SMILES: CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)[C@H](F)C[C@]4(C)[C@H]3CC[C@]12C