MonarchInit/C3PO huggingface dataset:
Compound: N-cyclopentyl-2-[2-oxolanylmethyl-(1-oxo-2-thiophen-2-ylethyl)amino]-2-thiophen-2-ylacetamide
SMILES: C1CCC(C1)NC(=O)C(C2=CC=CS2)N(CC3CCCO3)C(=O)CC4=CC=CS4
Compound: [4-(4-fluorophenyl)-1-piperazinyl]-(2-methyl-3-pyrazolyl)methanone
SMILES: CN1C(=CC=N1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)F
Compound: N-(4-phenylmethoxyphenyl)methanesulfonamide
SMILES: CS(=O)(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2
Compound: 1-(2-hydroxyphenyl)-2-(2H-tetrazol-5-yl)ethanone
SMILES: C1=CC=C(C(=C1)C(=O)CC2=NNN=N2)O
Compound: 2-[2-[[benzamido(sulfanylidene)methyl]amino]-4-thiazolyl]acetic acid ethyl ester
SMILES: CCOC(=O)CC1=CSC(=N1)NC(=S)NC(=O)C2=CC=CC=C2
Compound: 3-[3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl]-N-[(1,3-dimethyl-4-pyrazolyl)methyl]-2-propenamide
SMILES: CC1=NN(C=C1CNC(=O)C=CC2=CC(=C(C=C2)OC)COC3=C(C=C(C=C3)Cl)Br)C
Compound: 3-(1,3-benzodioxol-5-yl)-5-(2-furanylmethylidene)-2-imino-4-thiazolidinone
SMILES: C1OC2=C(O1)C=C(C=C2)N3C(=O)C(=CC4=CC=CO4)SC3=N
Compound: 4-amino-N5-[2-(4-morpholinyl)ethyl]-N5-[1-oxo-1-[(phenylmethyl)amino]propan-2-yl]isothiazole-3,5-dicarboxamide
SMILES: CC(C(=O)NCC1=CC=CC=C1)N(CCN2CCOCC2)C(=O)C3=C(C(=NS3)C(=O)N)N
Compound: 2-cyano-2-[3-(4-morpholinyl)-2-quinoxalinyl]acetic acid cyclohexyl ester
SMILES: C1CCC(CC1)OC(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCOCC4
Compound: 3,4-dimethoxy-N-[[[oxo(2-pyrazinyl)methyl]hydrazo]-sulfanylidenemethyl]benzamide
SMILES: COC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=NC=CN=C2)OC
Compound: 2-ethyl-1-[(2-methoxyphenyl)methyl]benzimidazole
SMILES: CCC1=NC2=CC=CC=C2N1CC3=CC=CC=C3OC
Compound: 4-[5-[[1-[(2-chlorophenyl)methyl]-2,5-dioxo-4-imidazolidinylidene]methyl]-2-furanyl]-3-methylbenzoic acid
SMILES: CC1=C(C=CC(=C1)C(=O)O)C2=CC=C(O2)C=C3C(=O)N(C(=O)N3)CC4=CC=CC=C4Cl
Compound: 1,3-dimethyl-6-[2-(thiophen-2-ylmethylidene)hydrazinyl]pyrimidine-2,4-dione
SMILES: CN1C(=CC(=O)N(C1=O)C)NN=CC2=CC=CS2
Compound: 9,10-dioxo-1-anthracenecarboxylic acid [2-(2,3-dimethylanilino)-2-oxoethyl] ester
SMILES: CC1=C(C(=CC=C1)NC(=O)COC(=O)C2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O)C
Compound: N-(1,3-benzodioxol-5-yl)-2-[4-(4-phenyl-2-thiazolyl)-1-piperazinyl]acetamide
SMILES: C1CN(CCN1CC(=O)NC2=CC3=C(C=C2)OCO3)C4=NC(=CS4)C5=CC=CC=C5
Compound: 1-[4-(2,3-dimethylphenyl)-1-piperazinyl]-3-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)-1-propanone
SMILES: CC1CC(NC(=S)N1CCC(=O)N2CCN(CC2)C3=CC=CC(=C3C)C)(C)C
Compound: 2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-(4-phenylphenyl)ethanone
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CSC3=CC=CC=[N+]3[O-]
Compound: 2-[[5-(2-furanyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-(1H-indazol-6-yl)acetamide
SMILES: CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC4=C(C=C3)C=NN4)C5=CC=CO5
Compound: 2-[3-(4-cyanoanilino)-1-(dimethylamino)prop-2-enylidene]propanedinitrile
SMILES: CN(C)C(=C(C#N)C#N)C=CNC1=CC=C(C=C1)C#N
Compound: 4-(4-methoxycarbonylphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
SMILES: CC1=C(C(C(=C(N1C)C)C(=O)OC)C2=CC=C(C=C2)C(=O)OC)C(=O)OC
Compound: 4-oxo-4-[5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)-2,3-dihydroindol-1-yl]butanoic acid
SMILES: C1CC(C2=CC=CC=C2C1)NS(=O)(=O)C3=CC4=C(C=C3)N(CC4)C(=O)CCC(=O)O
Compound: 2-[[[4-[[2-(2,4-dichlorophenoxy)-1-oxoethyl]amino]phenyl]-oxomethyl]amino]benzoic acid
SMILES: C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC=C(C=C2)NC(=O)COC3=C(C=C(C=C3)Cl)Cl
Compound: 5-[2-furanyl-[4-(phenylmethyl)-1-piperidinyl]methyl]-6-thiazolo[3,2-b][1,2,4]triazolol
SMILES: C1CN(CCC1CC2=CC=CC=C2)C(C3=CC=CO3)C4=C(N5C(=NC=N5)S4)O
Compound: 3,4,5-trimethoxybenzoic acid [(3,5-dimethyl-4-oxo-1-cyclohexa-2,5-dienylidene)amino] ester
SMILES: CC1=CC(=NOC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C=C(C1=O)C
Compound: 5,5-diethyl-2-(2-hydroxyethylamino)-1,6-dihydrobenzo[h]quinazolin-4-one
SMILES: CCC1(CC2=CC=CC=C2C3=C1C(=O)N=C(N3)NCCO)CC
Compound: N-(2-furanylmethyl)-2-imino-5-oxo-1-(2-phenylethyl)-3-dipyrido[1,2-d:3',4'-f]pyrimidinecarboxamide
SMILES: C1=CC=C(C=C1)CCN2C3=C(C=C(C2=N)C(=O)NCC4=CC=CO4)C(=O)N5C=CC=CC5=N3
Compound: 5-[[4-(diethylamino)anilino]methylidene]-1-(2-furanylmethyl)-1,3-diazinane-2,4,6-trione
SMILES: CCN(CC)C1=CC=C(C=C1)NC=C2C(=O)NC(=O)N(C2=O)CC3=CC=CO3
Compound: N-(1-adamantyl)-6-(3,5-dimethyl-1-pyrazolyl)-1,2,4,5-tetrazin-3-amine
SMILES: CC1=CC(=NN1C2=NN=C(N=N2)NC34CC5CC(C3)CC(C5)C4)C
Compound: LSM-18778
SMILES: C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC4=[NH+]C=NC(=C4N3)N
Compound: 2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester
SMILES: CCC1=CC(=C(S1)NC=C2C(=O)NC(=S)NC2=O)C(=O)OCC
Compound: 2-chloro-N-[4-(N-propan-2-ylanilino)phenyl]acetamide
SMILES: CC(C)N(C1=CC=CC=C1)C2=CC=C(C=C2)NC(=O)CCl
Compound: 3-[[[5-[3-(1-piperidinylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]thio]methyl]-1,2,3-benzotriazin-4-one
SMILES: C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)SCN4C(=O)C5=CC=CC=C5N=N4
Compound: 6-[(4-fluorophenyl)methyl]-5,7-dimethyl-2H-pyrrolo[3,4-d]pyridazin-1-one
SMILES: CC1=C2C=NNC(=O)C2=C(N1CC3=CC=C(C=C3)F)C
Compound: N'-(3-chloro-4-fluorophenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-(2-pyridinyl)butanediamide
SMILES: COCCNC(=O)CN(C1=CC(=C(C=C1)F)Cl)C(=O)CCC(=O)NC2=CC=CC=N2
Compound: N-(2-furanylmethyl)-1-(4-methoxyphenyl)-5-benzimidazolamine
SMILES: COC1=CC=C(C=C1)N2C=NC3=C2C=CC(=C3)NCC4=CC=CO4
Compound: N-[3-[(4-chlorophenyl)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-pyridinecarboxamide
SMILES: C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CN=CC=C3)C(=O)C4=CC=C(C=C4)Cl
Compound: (3R,3aS,7R,7aS)-3-[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]-7-methyl-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one
SMILES: C[C@@H]1CC=C[C@H]2[C@H]1C(=O)N([C@H]2C3=C(C=C(C=C3)C4=CC=C(C=C4)N(C)C)F)CC5=CC=CC=C5
Compound: 2-cyano-2-[3-[4-(phenylmethyl)-1-piperazinyl]-2-quinoxalinyl]acetic acid 2-methoxyethyl ester
SMILES: COCCOC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)CC4=CC=CC=C4
Compound: 6-chloro-N2-[(2-nitrophenyl)methylideneamino]pyrimidine-2,4-diamine
SMILES: C1=CC=C(C(=C1)C=NNC2=NC(=CC(=N2)Cl)N)[N+](=O)[O-]
Compound: 2-[2-[2-[(1,3-dimethyl-2-oxo-5-benzimidazolyl)methylidene]hydrazinyl]-4-oxo-5-thiazolyl]acetic acid
SMILES: CN1C2=C(C=C(C=C2)C=NNC3=NC(=O)C(S3)CC(=O)O)N(C1=O)C
Compound: 2-[[3-methyl-7-(3-methylbutyl)-2,6-dioxo-8-purinyl]thio]propanoic acid methyl ester
SMILES: CC(C)CCN1C2=C(N=C1SC(C)C(=O)OC)N(C(=O)NC2=O)C
Compound: 2-[6-(carboxymethyl)-9-ethyl-3-carbazolyl]acetic acid
SMILES: CCN1C2=C(C=C(C=C2)CC(=O)O)C3=C1C=CC(=C3)CC(=O)O
Compound: 2-[4-[(4-cyclopentyloxyphenyl)methyl]-1-propan-2-yl-2-piperazinyl]ethanol
SMILES: CC(C)N1CCN(CC1CCO)CC2=CC=C(C=C2)OC3CCCC3
Compound: 2-[[(4-methyl-2-thiazolyl)amino]-oxomethyl]-1-pyrrolidinecarboxylic acid 2-methylpropyl ester
SMILES: CC1=CSC(=N1)NC(=O)C2CCCN2C(=O)OCC(C)C
Compound: N-(2-furanylmethyl)-2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio]acetamide
SMILES: C1=CC=C(C=C1)C2=NN=C3N2N=C(C=C3)SCC(=O)NCC4=CC=CO4
Compound: N-[2-(4-methoxyphenyl)-5-benzotriazolyl]butanamide
SMILES: CCCC(=O)NC1=CC2=NN(N=C2C=C1)C3=CC=C(C=C3)OC
Compound: 1-(2,4-dimethoxyphenyl)-3-[4-(4-morpholinyl)anilino]pyrrolidine-2,5-dione
SMILES: COC1=CC(=C(C=C1)N2C(=O)CC(C2=O)NC3=CC=C(C=C3)N4CCOCC4)OC
Compound: LSM-18798
SMILES: CC1=NC(=CC2=CC=C(O2)CNS(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)C1C(=O)OC
Compound: 1-(1-piperidinyl)-3-[4-[[2-[4-(trifluoromethyl)phenyl]ethylamino]methyl]phenoxy]-2-propanol
SMILES: C1CCN(CC1)CC(COC2=CC=C(C=C2)CNCCC3=CC=C(C=C3)C(F)(F)F)O
Compound: N-(5-methyl-7-phenyl-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-thiophenecarboxamide
SMILES: CC1CC(N2C(=N1)N=C(N2)NC(=O)C3=CC=CS3)C4=CC=CC=C4
Compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-5-propyl-4-triazolecarboxamide
SMILES: CCCC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC(=CC=C3)OCC4=CC=C(C=C4)F
Compound: 4-fluoro-N-(7-methyl-4-oxo-2-thieno[3,2-d][1,3]thiazinyl)benzamide
SMILES: CC1=CSC2=C1N=C(SC2=O)NC(=O)C3=CC=C(C=C3)F
Compound: N-(2-methoxyethyl)-1-methyl-2-oxo-6-benzo[cd]indolesulfonamide
SMILES: CN1C2=C3C(=C(C=C2)S(=O)(=O)NCCOC)C=CC=C3C1=O
Compound: 3-(2-chlorophenyl)-N-pyridin-4-yl-2-propenamide
SMILES: C1=CC=C(C(=C1)C=CC(=O)NC2=CC=NC=C2)Cl
Compound: 1-(2-fluorophenyl)-1-cyclopentanecarboxylic acid [2-oxo-2-(4-sulfamoylanilino)ethyl] ester
SMILES: C1CCC(C1)(C2=CC=CC=C2F)C(=O)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N
Compound: 2-[5-[2-(3-methyl-2-thiazolidinylidene)ethylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]acetic acid
SMILES: CN1CCSC1=CC=C2C(=O)N(C(=S)S2)CC(=O)O
Compound: 4-[[4-[2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoic acid
SMILES: COC1=CC=C(C=C1)NC(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)C(=O)O)OC)C#N
Compound: 3-(4-acetylanilino)-1-(4-methylphenyl)-2-propen-1-one
SMILES: CC1=CC=C(C=C1)C(=O)C=CNC2=CC=C(C=C2)C(=O)C
Compound: 5-(1-azepanyl)-1,3,4-thiadiazol-2-amine
SMILES: C1CCCN(CC1)C2=NN=C(S2)N
Compound: N-[2-[1-[(4-methoxy-3-methylphenyl)methyl]-4-piperidinyl]-3-pyrazolyl]-4-phenylbutanamide
SMILES: CC1=C(C=CC(=C1)CN2CCC(CC2)N3C(=CC=N3)NC(=O)CCCC4=CC=CC=C4)OC
Compound: N-(4-bromo-2-tert-butyl-5-methyl-3-pyrazolyl)-2,4-dichlorobenzamide
SMILES: CC1=NN(C(=C1Br)NC(=O)C2=C(C=C(C=C2)Cl)Cl)C(C)(C)C
Compound: 1-ethoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-2-propanol
SMILES: CCOCC(COC1=C(C=C(C=C1)CC=C)OC)O
Compound: N-[(2,3-dimethoxyphenyl)methyl]-4-(4-methyl-1-piperidinyl)aniline
SMILES: CC1CCN(CC1)C2=CC=C(C=C2)NCC3=C(C(=CC=C3)OC)OC
Compound: N-cyclohexyl-3-(4-nitrophenyl)-N-(2-pyridinyl)-2-propenamide
SMILES: C1CCC(CC1)N(C2=CC=CC=N2)C(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]
Compound: 6-[[4-(diethylamino)phenyl]methylidene]-3-(2-methylphenyl)-5-thiazolo[2,3-c][1,2,4]triazolone
SMILES: CCN(CC)C1=CC=C(C=C1)C=C2C(=O)N3C(=NN=C3S2)C4=CC=CC=C4C
Compound: 2-thiophenecarboxylic acid [3-[[1-(3-chloro-4-fluorophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl]phenyl] ester
SMILES: C1=CC(=CC(=C1)OC(=O)C2=CC=CS2)C=C3C(=O)NN(C3=O)C4=CC(=C(C=C4)F)Cl
Compound: 3-[(2-chlorophenyl)methyl]-5-methyl-7-(1-pyrrolidinyl)triazolo[4,5-d]pyrimidine
SMILES: CC1=NC2=C(C(=N1)N3CCCC3)N=NN2CC4=CC=CC=C4Cl
Compound: 2-amino-4-(2-chlorophenyl)-6-(ethylthio)pyridine-3,5-dicarbonitrile
SMILES: CCSC1=C(C(=C(C(=N1)N)C#N)C2=CC=CC=C2Cl)C#N
Compound: N-[4-(phenoxymethyl)-2-thiazolyl]-1-adamantanecarboxamide
SMILES: C1C2CC3(CC1CC(C3)C2)C(=O)NC4=NC(=CS4)COC5=CC=CC=C5
Compound: 6-methyl-N2-(phenylmethyl)-N4-[(phenylmethylene)amino]pyrimidine-2,4-diamine
SMILES: CC1=CC(=NC(=N1)NCC2=CC=CC=C2)NN=CC3=CC=CC=C3
Compound: 5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-1H-imidazole-2-thione
SMILES: COC1=CC=C(C=C1)N2C=C(NC2=S)C3=CC(=C(C=C3)OC)OC
Compound: 3-(2,7-dimethyl-1-quinolin-1-iumyl)-1-propanesulfonic acid
SMILES: CC1=CC2=C(C=C1)C=CC(=[N+]2CCCS(=O)(=O)O)C
Compound: N-(5-methyl-3-isoxazolyl)-2-[[4-(2-methylphenyl)-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]thio]acetamide
SMILES: CC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC3=NOC(=C3)C)CN4C5=CC=CC=C5SC4=O
Compound: 3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid [2-(butylamino)-2-oxoethyl] ester
SMILES: CCCCNC(=O)COC(=O)C1=C2CCC(=CC3=CC=CS3)C2=NC4=CC=CC=C41
Compound: 4-[(6-chloro-1H-benzimidazol-2-yl)amino]benzoic acid
SMILES: C1=CC(=CC=C1C(=O)O)NC2=NC3=C(N2)C=C(C=C3)Cl
Compound: 4-(2-furanylmethyl)-3-(phenylmethyl)-1H-1,2,4-triazole-5-thione
SMILES: C1=CC=C(C=C1)CC2=NNC(=S)N2CC3=CC=CO3
Compound: 5-bromo-N-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methylideneamino]-2-furancarboxamide
SMILES: C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)C=NNC(=O)C4=CC=C(O4)Br
Compound: 5-bromo-2-methoxy-N-(3-methyl-2-pyridinyl)benzenesulfonamide
SMILES: CC1=C(N=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)Br)OC
Compound: 1-(6,8-dimethyl-2,3-dihydropyrrolo[2,3-g]quinolin-1-yl)ethanone
SMILES: CC1=CC(=NC2=CC3=C(C=C12)N(CC3)C(=O)C)C
Compound: acetic acid [2-ethoxy-6-nitro-4-[[5-oxo-2-(prop-2-enylthio)-4-thiazolylidene]methyl]phenyl] ester
SMILES: CCOC1=CC(=CC(=C1OC(=O)C)[N+](=O)[O-])C=C2C(=O)SC(=N2)SCC=C
Compound: N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]ethanesulfonamide
SMILES: CCS(=O)(=O)NCCC1=CC2=CC(=C(C=C2NC1=O)C)C
Compound: 1-[amino-[(4,7-dimethyl-2-quinazolinyl)amino]methylidene]-3-(3-methylphenyl)thiourea
SMILES: CC1=CC(=CC=C1)NC(=S)N=C(N)NC2=NC3=C(C=CC(=C3)C)C(=N2)C
Compound: 2-[3-(1-benzotriazolylmethyl)-4-methoxyphenyl]-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILES: COC1=CC=C(C=C1)N2C(NC3=CC=CC=C3C2=O)C4=CC(=C(C=C4)OC)CN5C6=CC=CC=C6N=N5
Compound: 1-azepanecarboxylic acid (7-chloro-4-quinolinyl) ester
SMILES: C1CCCN(CC1)C(=O)OC2=C3C=CC(=CC3=NC=C2)Cl
Compound: 6-amino-3-methyl-4-(2-methylpropyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILES: CC1=C2C(C(=C(OC2=NN1)N)C#N)CC(C)C
Compound: 6-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-pyridinyl)-4-quinolinecarboxamide
SMILES: CCC1=NN=C(S1)NC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=CC=N4
Compound: acetic acid 2-[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]ethyl ester
SMILES: CC(=O)OCCNC(=O)C1=CC2=CC=CC=C2OC1=O
Compound: N-(1,3-benzodioxol-5-yl)-3-[(2-methoxy-1-oxoethyl)amino]-2-benzofurancarboxamide
SMILES: COCC(=O)NC1=C(OC2=CC=CC=C21)C(=O)NC3=CC4=C(C=C3)OCO4
Compound: 4-amino-N-[[5-(2,4-dimethyl-5-nitrophenyl)-2-furanyl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide
SMILES: CC1=CC(=C(C=C1C2=CC=C(O2)C=NNC(=O)C3=NON=C3N)[N+](=O)[O-])C
Compound: N-[1-[(4-fluorophenyl)methyl]-3-pyrazolyl]-5-methyl-2-furancarboxamide
SMILES: CC1=CC=C(O1)C(=O)NC2=NN(C=C2)CC3=CC=C(C=C3)F
Compound: N-[5-(1H-benzimidazol-2-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]-4-methylbenzenesulfonamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NN2C(=O)C(=CC3=NC4=CC=CC=C4N3)SC2=S
Compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dipropylamino)methyl]-N-[(2-methyl-3-phenylprop-2-enylidene)amino]-4-triazolecarboxamide
SMILES: CCCN(CCC)CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC(=CC3=CC=CC=C3)C
Compound: 4-[[2,6-bis(4-morpholinyl)-3-pyridinyl]amino]-4-oxo-2-butenoic acid
SMILES: C1COCCN1C2=NC(=C(C=C2)NC(=O)C=CC(=O)O)N3CCOCC3
Compound: 3-(2-phenoxyethyl)-1H-benzimidazole-2-thione
SMILES: C1=CC=C(C=C1)OCCN2C3=CC=CC=C3NC2=S
Compound: 4-[[[2-(2-fluorophenyl)-4-quinazolinyl]hydrazo]methylidene]-3-hydroxy-1-cyclohexa-2,5-dienone
SMILES: C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=CC=C3F)NNC=C4C=CC(=O)C=C4O
Compound: N-(3-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILES: C1CN(CC2=CC=CC=C21)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]
Compound: 5-(methylamino)-3H-1,3,4-thiadiazole-2-thione
SMILES: CNC1=NNC(=S)S1
Compound: 5-(4-methylphenyl)-N-(3-pyridinylmethyl)-3-isoxazolecarboxamide
SMILES: CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCC3=CN=CC=C3
Compound: 4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-4-oxazolyl]methyl]morpholine
SMILES: CC1=C(N=C(O1)C2=CC(=CC=C2)C(F)(F)F)CN3CCOCC3
Compound: 2-(2-fluorophenyl)-5-(4-methyl-1-piperidinyl)-4-oxazolecarbonitrile
SMILES: CC1CCN(CC1)C2=C(N=C(O2)C3=CC=CC=C3F)C#N
Compound: N-(3,5-dimethoxyphenyl)-2-thiophenecarboxamide
SMILES: COC1=CC(=CC(=C1)NC(=O)C2=CC=CS2)OC
Compound: 2-[[5-[3-(2,4-dichlorophenoxy)propyl]-4-methyl-1,2,4-triazol-3-yl]thio]-N-(2-ethyl-6-methylphenyl)acetamide
SMILES: CCC1=CC=CC(=C1NC(=O)CSC2=NN=C(N2C)CCCOC3=C(C=C(C=C3)Cl)Cl)C
Compound: 1-(2,5-dimethoxyphenyl)-3-phenylthiourea
SMILES: COC1=CC(=C(C=C1)OC)NC(=S)NC2=CC=CC=C2
Compound: (5-amino-3-phenyl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone
SMILES: COC1=CC=CC=C1C(=O)N2C(=NC(=N2)C3=CC=CC=C3)N
Compound: 4-[dimethylamino(oxo)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(C(=C(N1)C)C(=O)N(C)C)C
Compound: 2-chloro-N'-(5-nitro-2-oxo-3-indolyl)benzohydrazide
SMILES: C1=CC=C(C(=C1)C(=O)NNC2=C3C=C(C=CC3=NC2=O)[N+](=O)[O-])Cl
Compound: 4-[5-(3-chlorophenyl)-2-furanyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester
SMILES: CC1=C(C(NC(=S)N1)C2=CC=C(O2)C3=CC(=CC=C3)Cl)C(=O)OC
Compound: 5-bromo-N-(cycloheptylideneamino)-2-furancarboxamide
SMILES: C1CCCC(=NNC(=O)C2=CC=C(O2)Br)CC1
Compound: 6-ethoxy-3-[[2-oxolanylmethyl-[[1-(2-phenylethyl)-5-tetrazolyl]methyl]amino]methyl]-1H-quinolin-2-one
SMILES: CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3CCCO3)CC4=NN=NN4CCC5=CC=CC=C5
Compound: 1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol
SMILES: C1=CC(=C(C=C1Cl)Cl)C(CN2C=NC=N2)O
Compound: N-(1H-benzimidazol-2-yl)-1-ethyl-4-hydroxy-2-oxo-3-quinolinecarboxamide
SMILES: CCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=NC4=CC=CC=C4N3)O
Compound: 7-methoxy-N-(3-pyridinylmethyl)-2-furo[2,3-b]quinolinecarboxamide
SMILES: COC1=CC2=NC3=C(C=C2C=C1)C=C(O3)C(=O)NCC4=CN=CC=C4
Compound: 4-[(2,6-diphenyl-4-pyrimidinyl)oxy]benzaldehyde
SMILES: C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)OC4=CC=C(C=C4)C=O
Compound: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-methyl-4-nitro-3-isoxazolecarboxamide
SMILES: CC1=C(C(=NO1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)[N+](=O)[O-]
Compound: 2-methoxy-N-(2-pyridinyl)benzamide
SMILES: COC1=CC=CC=C1C(=O)NC2=CC=CC=N2
Compound: N4,N4-dimethyl-N1-(4-nitro-1,1-dioxo-2,5-dihydrothiophen-3-yl)benzene-1,4-diamine
SMILES: CN(C)C1=CC=C(C=C1)NC2=C(CS(=O)(=O)C2)[N+](=O)[O-]
Compound: N-(2,4-dimethoxyphenyl)-2-(1-pyrrolidinyl)-4-quinazolinamine
SMILES: COC1=CC(=C(C=C1)NC2=NC(=NC3=CC=CC=C32)N4CCCC4)OC
Compound: 5,8-dichloro-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
SMILES: C1CNC(=O)C2=C1C3=C(C=CC(=C3N2)Cl)Cl
Compound: N-[4-(2,5-dimethoxyphenyl)-2-thiazolyl]-N-(2-oxolanylmethyl)cyclohexanecarboxamide
SMILES: COC1=CC(=C(C=C1)OC)C2=CSC(=N2)N(CC3CCCO3)C(=O)C4CCCCC4
Compound: 2-methyl-N-(2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl)-2-propenamide
SMILES: CC(=C)C(=O)NC1=CC2=C(C=C1)OCCOCCOCCO2
Compound: N-butan-2-yl-1-[2-(4-fluorophenyl)ethyl]-5-oxo-3-pyrrolidinecarboxamide
SMILES: CCC(C)NC(=O)C1CC(=O)N(C1)CCC2=CC=C(C=C2)F
Compound: N-[4-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methoxyphenyl]ethanesulfonamide
SMILES: CCS(=O)(=O)NC1=C(C=C(C=C1)C2=CC(=C(C=C2)NS(=O)(=O)CC)OC)OC
Compound: 5,7-dimethyl-2-(nitrosomethylidene)-1H-quinolin-8-ol
SMILES: CC1=CC(=C(C2=C1C=CC(=CN=O)N2)O)C
Compound: N-(1,3-benzodioxol-5-yl)-6-chloro-2-(2-pyridinyl)-3-imidazo[1,2-a]pyridinamine
SMILES: C1OC2=C(O1)C=C(C=C2)NC3=C(N=C4N3C=C(C=C4)Cl)C5=CC=CC=N5
Compound: 3-(prop-2-enylthio)-5-thiophen-2-yl-1H-1,2,4-triazole
SMILES: C=CCSC1=NNC(=N1)C2=CC=CS2
Compound: N-(5-tert-butyl-3-isoxazolyl)-7-chloro-8-methyl-2-(2-pyridinyl)-4-quinolinecarboxamide
SMILES: CC1=C(C=CC2=C1N=C(C=C2C(=O)NC3=NOC(=C3)C(C)(C)C)C4=CC=CC=N4)Cl
Compound: 1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-piperidinecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1CCN(CC1)CC2=CC(=C(C=C2)OC)OCC3=CC=CC=C3
Compound: N-[3-chloro-4-[[2-furanyl(oxo)methyl]amino]phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide
SMILES: C1COC2=C(O1)C=CC(=C2)C(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC=CO4)Cl
Compound: N-(3-chloro-4-methylphenyl)-2-[3-(5-methyl-2-tetrazolyl)-1-adamantyl]acetamide
SMILES: CC1=C(C=C(C=C1)NC(=O)CC23CC4CC(C2)(CC(C4)C3)N5N=C(N=N5)C)Cl
Compound: 2,6-difluorobenzoic acid 2,3-dihydro-1,4-benzodioxin-3-ylmethyl ester
SMILES: C1C(OC2=CC=CC=C2O1)COC(=O)C3=C(C=CC=C3F)F
Compound: 1-[(1-tert-butyl-5-tetrazolyl)-thiophen-2-ylmethyl]-4-(2,3-dimethylphenyl)piperazine
SMILES: CC1=C(C(=CC=C1)N2CCN(CC2)C(C3=CC=CS3)C4=NN=NN4C(C)(C)C)C
Compound: 1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-methyl-1-(thiophen-2-ylmethyl)thiourea
SMILES: CC1=CC2=C(C=C1)NC(=C2CCN(CC3=CC=CS3)C(=S)NC)C
Compound: 3-(4-chlorophenyl)-2-(2,3-dimethoxyphenyl)-4-thiazolidinone
SMILES: COC1=CC=CC(=C1OC)C2N(C(=O)CS2)C3=CC=C(C=C3)Cl
Compound: 1-[[2-(4-ethylphenyl)-5-methyl-4-oxazolyl]methyl]-N-[(2-methoxyphenyl)methyl]-4-piperidinecarboxamide
SMILES: CCC1=CC=C(C=C1)C2=NC(=C(O2)C)CN3CCC(CC3)C(=O)NCC4=CC=CC=C4OC
Compound: 2-[(3-fluorophenyl)-(2-pyridinylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-4-pyranone
SMILES: C1=CC=NC(=C1)NC(C2=CC(=CC=C2)F)C3=C(C(=O)C=C(O3)CO)O
Compound: 1-(3,5-dimethylphenyl)-3-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)urea
SMILES: CC1=CC(=CC(=C1)NC(=O)NC2=CC3=C(C=C2)SCC(=O)N3C)C
Compound: 2-(4-pentylphenyl)acetic acid
SMILES: CCCCCC1=CC=C(C=C1)CC(=O)O
Compound: 1-(3-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea
SMILES: C1COC2=C(O1)C=CC(=C2)NC(=S)NC3=CC(=CC=C3)Cl
Compound: 6-methyl-12-indolo[1,2-c]quinazolinamine
SMILES: CC1=NC2=CC=CC=C2C3=C(C4=CC=CC=C4N13)N
Compound: N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamic acid ethyl ester
SMILES: CCOC(=O)NC1=NN=C(S1)C2=CC(=C(C=C2)OC)OC
Compound: N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-6-(4-morpholinylsulfonyl)-4-oxo-3-quinolinecarboxamide
SMILES: CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCOCC3)C(=O)NCC4=CC5=C(C=C4)OCO5
Compound: 4-chloro-N-[(4-ethoxy-2-nitroanilino)-sulfanylidenemethyl]-2,5-dimethyl-3-pyrazolecarboxamide
SMILES: CCOC1=CC(=C(C=C1)NC(=S)NC(=O)C2=C(C(=NN2C)C)Cl)[N+](=O)[O-]
Compound: N-[(2-ethoxyphenyl)methyl]-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]propanamide
SMILES: CCOC1=CC=CC=C1CNC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3
Compound: 7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-[(3-methyl-1-piperidinyl)methyl]purine-2,6-dione
SMILES: CC1CCCN(C1)CC2=NC3=C(N2CC4=C(C=CC=C4Cl)F)C(=O)N(C(=O)N3C)C
Compound: N-(1-ethyl-2-benzimidazolyl)-5-[(4-methyl-2-nitrophenoxy)methyl]-2-furancarboxamide
SMILES: CCN1C2=CC=CC=C2N=C1NC(=O)C3=CC=C(O3)COC4=C(C=C(C=C4)C)[N+](=O)[O-]
Compound: 4-(1-azepanyl)-6-hydrazinyl-N-(4-nitrophenyl)-1,3,5-triazin-2-amine
SMILES: C1CCCN(CC1)C2=NC(=NC(=N2)NN)NC3=CC=C(C=C3)[N+](=O)[O-]
Compound: 4-ethoxy-N-(4-fluorophenyl)-2,3-dimethylbenzenesulfonamide
SMILES: CCOC1=C(C(=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)F)C)C
Compound: N-[3-(2-methoxyphenyl)imino-1,4-dioxo-2-naphthalenyl]acetamide
SMILES: CC(=O)NC1C(=NC2=CC=CC=C2OC)C(=O)C3=CC=CC=C3C1=O
Compound: 3,4-dihydro-2H-quinolin-1-yl-[5-(4-methoxyphenyl)-3-isoxazolyl]methanone
SMILES: COC1=CC=C(C=C1)C2=CC(=NO2)C(=O)N3CCCC4=CC=CC=C43
Compound: 1-[1-(4-tert-butylphenyl)ethylideneamino]-3-propan-2-ylthiourea
SMILES: CC(C)NC(=S)NN=C(C)C1=CC=C(C=C1)C(C)(C)C
Compound: N,N-dimethyl-4-[[4-(5-methyl-1-benzotriazolyl)-1-piperidinyl]sulfonyl]benzamide
SMILES: CC1=CC2=C(C=C1)N(N=N2)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(=O)N(C)C
Compound: 1-[[5-(2,5-dichlorophenyl)-2-furanyl]methylideneamino]-3-prop-2-enylthiourea
SMILES: C=CCNC(=S)NN=CC1=CC=C(O1)C2=C(C=CC(=C2)Cl)Cl
Compound: 3-[[1,3-benzodioxol-5-ylmethyl-[[1-(2-furanylmethyl)-5-tetrazolyl]methyl]amino]methyl]-6-methyl-1H-quinolin-2-one
SMILES: CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC4=C(C=C3)OCO4)CC5=NN=NN5CC6=CC=CO6
Compound: 3-(trifluoromethyl)benzoic acid [[amino(2-pyrazinyl)methylidene]amino] ester
SMILES: C1=CC(=CC(=C1)C(F)(F)F)C(=O)ON=C(C2=NC=CN=C2)N
Compound: N4-(3-fluorophenyl)-N2-[3-(4-morpholinyl)propyl]-5-nitropyrimidine-2,4,6-triamine
SMILES: C1COCCN1CCCNC2=NC(=C(C(=N2)NC3=CC(=CC=C3)F)[N+](=O)[O-])N
Compound: 2-methoxy-4-[([1,2,4]triazolo[3,4-a]phthalazin-6-ylhydrazo)methylidene]-1-cyclohexa-2,5-dienone
SMILES: COC1=CC(=CNNC2=NN3C=NN=C3C4=CC=CC=C42)C=CC1=O
Compound: 4-[[2-[2-[2-chloro-3-(4-nitrophenyl)prop-2-enylidene]hydrazinyl]-1,2-dioxoethyl]amino]benzoic acid
SMILES: C1=CC(=CC=C1C=C(C=NNC(=O)C(=O)NC2=CC=C(C=C2)C(=O)O)Cl)[N+](=O)[O-]
Compound: 2-methyl-3-[oxo(thiophen-2-yl)methyl]-1-indolizinecarboxaldehyde
SMILES: CC1=C(N2C=CC=CC2=C1C=O)C(=O)C3=CC=CS3
Compound: 3-[(4-ethylsulfonyl-2-nitrophenyl)thio]-4-methyl-1,2,4-triazole
SMILES: CCS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=CN2C)[N+](=O)[O-]
Compound: 4-(1-phenylethyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
SMILES: CC(C1=CC=CC=C1)N2C(=NNC2=S)C3=CC=NC=C3
Compound: 5-cyclopentylidene-2-sulfanylidene-4-thiazolidinone
SMILES: C1CCC(=C2C(=O)NC(=S)S2)C1
Compound: N-[[4-(dimethylamino)phenyl]methyl]-1-ethyl-5-benzimidazolamine
SMILES: CCN1C=NC2=C1C=CC(=C2)NCC3=CC=C(C=C3)N(C)C
Compound: N-[1-[(4-chlorophenyl)methyl]-4-pyrazolyl]cyclopentanecarboxamide
SMILES: C1CCC(C1)C(=O)NC2=CN(N=C2)CC3=CC=C(C=C3)Cl
Compound: 6-amino-5-(4-chlorophenyl)sulfonyl-2-oxo-1H-pyridine-3-carbonitrile
SMILES: C1=CC(=CC=C1S(=O)(=O)C2=C(NC(=O)C(=C2)C#N)N)Cl
Compound: 1-(4-methoxyphenyl)-3-[[oxo(thiophen-2-yl)methyl]amino]thiourea
SMILES: COC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=CS2
Compound: 1-[4-[[oxo-(7-oxo-4H-isothiazolo[4,3-d]pyrimidin-3-yl)methyl]amino]phenyl]-3-piperidinecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1CCCN(C1)C2=CC=C(C=C2)NC(=O)C3=C4C(=NS3)C(=O)N=CN4
Compound: 2-amino-7-methyl-4-(5-nitro-2-furanyl)-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile
SMILES: CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(O3)[N+](=O)[O-])C(=O)O1
Compound: 4-(4-chloro-3-nitrophenyl)-N-[2-(5,6-dichloro-1-propyl-2-benzimidazolyl)ethyl]-2-thiazolamine
SMILES: CCCN1C2=CC(=C(C=C2N=C1CCNC3=NC(=CS3)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])Cl)Cl
Compound: 5-[(2,4-dichlorophenoxy)methyl]-N-(2-fluorophenyl)-2-furancarboxamide
SMILES: C1=CC=C(C(=C1)NC(=O)C2=CC=C(O2)COC3=C(C=C(C=C3)Cl)Cl)F
Compound: N-[(2,1,3-benzothiadiazol-4-ylamino)-sulfanylidenemethyl]-4-methylbenzamide
SMILES: CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC3=NSN=C32
Compound: 6-amino-4-(4-tert-butylphenyl)-3-methyl-1-phenyl-5-pyrazolo[3,4-b]pyridinecarbonitrile
SMILES: CC1=NN(C2=C1C(=C(C(=N2)N)C#N)C3=CC=C(C=C3)C(C)(C)C)C4=CC=CC=C4
Compound: 3-[(2-chlorophenyl)methyl]-N-(2-fluorophenyl)-5-methyl-7-triazolo[4,5-d]pyrimidinamine
SMILES: CC1=NC2=C(C(=N1)NC3=CC=CC=C3F)N=NN2CC4=CC=CC=C4Cl
Compound: 1-(1-adamantyl)-3-[8-[[1-(2-furanylmethyl)-5-tetrazolyl]methyl]-8-azabicyclo[3.2.1]octan-3-yl]urea
SMILES: C1CC2CC(CC1N2CC3=NN=NN3CC4=CC=CO4)NC(=O)NC56CC7CC(C5)CC(C7)C6
Compound: N-(4-fluorophenyl)-2,1,3-benzothiadiazole-5-carboxamide
SMILES: C1=CC(=CC=C1NC(=O)C2=CC3=NSN=C3C=C2)F
Compound: 1-butyl-N-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-3-quinolinecarboxamide
SMILES: CCCCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NCC3=CC=C(C=C3)Cl)O
Compound: 2-(1-benzimidazolyl)acetic acid [2-[(9,10-dioxo-1-anthracenyl)amino]-2-oxoethyl] ester
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)COC(=O)CN4C=NC5=CC=CC=C54
Compound: 5-(3-butoxyphenyl)-1-(pyridin-3-ylmethyl)-4-(thiophene-2-carbonyl)pyrrolidine-2,3-dione
SMILES: CCCCOC1=CC=CC(=C1)C2C(C(=O)C(=O)N2CC3=CN=CC=C3)C(=O)C4=CC=CS4
Compound: 2-(4-benzoylphenoxy)-N-(4-methylcyclohexyl)acetamide
SMILES: CC1CCC(CC1)NC(=O)COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3
Compound: 4-chloro-N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-2-yl]benzenesulfonamide
SMILES: CC(C)(CN1CCC2=CC=CC=C2C1)NS(=O)(=O)C3=CC=C(C=C3)Cl
Compound: N-(2-fluorophenyl)-N'-[[2-[2-oxo-2-(1-pyrrolidinyl)ethoxy]phenyl]methylideneamino]oxamide
SMILES: C1CCN(C1)C(=O)COC2=CC=CC=C2C=NNC(=O)C(=O)NC3=CC=CC=C3F
Compound: N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-piperidinecarboxamide
SMILES: CC1=CC(=NN1)CN2CCCC(C2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5N4
Compound: N2-(3-methylphenyl)-6-(4-morpholinyl)-5-nitropyrimidine-2,4-diamine
SMILES: CC1=CC(=CC=C1)NC2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCOCC3
Compound: LSM-18934
SMILES: C1CC2CC1C3C2SC4=C(C3C5=CC=CO5)SC(=O)N4
Compound: 5-(4-ethoxyphenyl)-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3,4-oxadiazol-2-amine
SMILES: CCOC1=CC=C(C=C1)C2=NN=C(O2)NC3=NCCCCC3
Compound: LSM-18936
SMILES: C1=CC2=C(C(=C1)Cl)C3=C(N2)C(=O)[N+](=CN3)CC4=CC=NC=C4
Compound: 3,5-dimethoxy-N-[1-[oxo(thiophen-2-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]benzamide
SMILES: COC1=CC(=CC(=C1)C(=O)NC2=CC3=C(C=C2)N(CCC3)C(=O)C4=CC=CS4)OC
Compound: 7-[[2-[5-cyclopropyl-3-(difluoromethyl)-1-pyrazolyl]-1-oxoethyl]amino]-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SMILES: CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)CN4C(=CC(=N4)C(F)F)C5CC5)SC2)C(=O)O
Compound: 1-(4-ethoxyphenyl)-5-[[4-(4-morpholinyl)anilino]methylidene]-1,3-diazinane-2,4,6-trione
SMILES: CCOC1=CC=C(C=C1)N2C(=O)C(=CNC3=CC=C(C=C3)N4CCOCC4)C(=O)NC2=O
Compound: N-(2-chlorophenyl)-2-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]thio]acetamide
SMILES: C1=CC=C(C(=C1)NC(=O)CSC2=NN=C(O2)C3=NC=C(C=C3)C(F)(F)F)Cl
Compound: 3-(4-methylphenyl)-2,1-benzoxazole-5-carboxaldehyde
SMILES: CC1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C=O
Compound: 2-[4-(9H-fluoren-9-yl)-1-piperazinyl]-N-(4-methoxyphenyl)acetamide
SMILES: COC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C3C4=CC=CC=C4C5=CC=CC=C35
Compound: 4-[[3-[(4-methylanilino)-oxomethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]amino]-4-oxobutanoic acid
SMILES: CC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCCC3)NC(=O)CCC(=O)O
Compound: N-[4-(cyanomethyl)phenyl]-4-cyclohexylbenzenesulfonamide
SMILES: C1CCC(CC1)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)CC#N
Compound: 1-(4-chlorophenyl)-3-(2-furanylmethyl)thiourea
SMILES: C1=COC(=C1)CNC(=S)NC2=CC=C(C=C2)Cl
Compound: 1-[3-(dimethylamino)propyl]-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)urea
SMILES: CC1=C2C=C(C(=O)NC2=C(C=C1)C)CN(CCCN(C)C)C(=O)NCC3=CC=CC=C3
Compound: N-(2-fluorophenyl)-2-[3-(1-oxopropyl)-1-indolyl]acetamide
SMILES: CCC(=O)C1=CN(C2=CC=CC=C21)CC(=O)NC3=CC=CC=C3F
Compound: N-(4-chlorophenyl)-2-[3-(2-furanylmethyl)-4-imino-6,6-dimethyl-2-oxo-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-1-yl]acetamide
SMILES: CC1(CC2=C(CO1)SC3=C2C(=N)N(C(=O)N3CC(=O)NC4=CC=C(C=C4)Cl)CC5=CC=CO5)C
Compound: 1-[[(1-methyl-2-benzimidazolyl)amino]methyl]-2-naphthalenol
SMILES: CN1C2=CC=CC=C2N=C1NCC3=C(C=CC4=CC=CC=C43)O
Compound: N'-(4-bromo-5-methyl-2-oxo-3-indolyl)-3-phenylpropanehydrazide
SMILES: CC1=C(C2=C(C(=O)N=C2C=C1)NNC(=O)CCC3=CC=CC=C3)Br
Compound: N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-3-methyl-5-oxo-6-thiazolo[3,2-a]pyrimidinecarboxamide
SMILES: CC1=CSC2=NC=C(C(=O)N12)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=C(C(=NO4)C)C
Compound: N-[4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-thiazolyl]-2-thiophen-2-ylacetamide
SMILES: CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C3=CSC(=N3)NC(=O)CC4=CC=CS4
Compound: 2-[2-(4-fluoroanilino)-4-thiophen-2-yl-5-thiazolyl]acetic acid
SMILES: C1=CSC(=C1)C2=C(SC(=N2)NC3=CC=C(C=C3)F)CC(=O)O
Compound: 3-[2-[[1-(3-chlorophenyl)-2,5-dioxo-4-imidazolidinylidene]methyl]-1-pyrrolyl]benzoic acid
SMILES: C1=CC(=CC(=C1)N2C=CC=C2C=C3C(=O)N(C(=O)N3)C4=CC(=CC=C4)Cl)C(=O)O
Compound: (2S)-2-[[[4-[[4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]anilino]-oxomethyl]-1H-imidazol-5-yl]-oxomethyl]amino]propanoic acid tert-butyl ester
SMILES: C[C@@H](C(=O)OC(C)(C)C)NC(=O)C1=C(N=CN1)C(=O)NC2=CC=C(C=C2)CNC(=O)OC(C)(C)C
Compound: 3-(4-methylphenyl)-5-oxo-8-thiazolo[2,3-b]quinazolinecarboxamide
SMILES: CC1=CC=C(C=C1)C2=CSC3=NC4=C(C=CC(=C4)C(=O)N)C(=O)N23
Compound: 3-(4-propan-2-ylphenyl)sulfonyl-1H-triazolo[1,5-a]quinazolin-5-one
SMILES: CC(C)C1=CC=C(C=C1)S(=O)(=O)C2=NNN3C2=NC(=O)C4=CC=CC=C43
Compound: 2-[4-[(carbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide
SMILES: CC1=C(C=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C=NNC(=S)N)OC)C
Compound: 3-methyl-N-[[(2-methyl-5-quinolinyl)amino]-sulfanylidenemethyl]benzamide
SMILES: CC1=NC2=C(C=C1)C(=CC=C2)NC(=S)NC(=O)C3=CC(=CC=C3)C
Compound: (2S)-1-(2-fluorophenyl)sulfonyl-2-pyrrolidinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester
SMILES: C1C[C@H](N(C1)S(=O)(=O)C2=CC=CC=C2F)C(=O)OCC3=NC4=CC=CC=C4S3
Compound: 2-(2-oxo-1-benzo[cd]indolyl)-N-(2-oxolanylmethyl)acetamide
SMILES: C1CC(OC1)CNC(=O)CN2C3=CC=CC4=C3C(=CC=C4)C2=O
Compound: N-(3,4-dimethylphenyl)-2-(4-methylanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
SMILES: CC1=CC=C(C=C1)NC2=NC(CC(=O)N2)C(=O)NC3=CC(=C(C=C3)C)C
Compound: 2-[[[3-[2-(4-methylphenyl)sulfonylethylthio]phenyl]-oxomethyl]amino]benzoic acid
SMILES: CC1=CC=C(C=C1)S(=O)(=O)CCSC2=CC=CC(=C2)C(=O)NC3=CC=CC=C3C(=O)O
Compound: 2-chloro-4-methyl-N-[4-(4-methyl-1-piperazinyl)phenyl]benzamide
SMILES: CC1=CC(=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C)Cl
Compound: N-(2,4-dimethoxyphenyl)-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanediamide
SMILES: COC1=CC(=C(C=C1)NC(=O)CCC(=O)NC2=NN=C(S2)C(F)(F)F)OC
Compound: N-[4-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-thiazolyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide
SMILES: C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)NC(=O)C4COC5=CC=CC=C5O4
Compound: 5-[(3-ethoxycarbonyl-4-thiophen-2-yl-2-thiophenyl)amino]-5-oxopentanoic acid
SMILES: CCOC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)CCCC(=O)O
Compound: 3-(2-hydroxyphenyl)-N-[[5-(8-quinolinylthio)-2-furanyl]methylideneamino]propanamide
SMILES: C1=CC=C(C(=C1)CCC(=O)NN=CC2=CC=C(O2)SC3=CC=CC4=C3N=CC=C4)O
Compound: LSM-18969
SMILES: CC1=CC=C(O1)C(=O)C2C(N(C(=O)C2=O)C3=NOC(=C3)C)C4=CC(=C(C(=C4)Br)O)OC
Compound: N-(3-carbamoyl-5-propyl-2-thiophenyl)-2-methyl-3-furancarboxamide
SMILES: CCCC1=CC(=C(S1)NC(=O)C2=C(OC=C2)C)C(=O)N
Compound: (2S,4S)-4-(1-benzothiophen-3-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(phenylmethyl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILES: C1[C@@H](C=C(O[C@@H]1OCC2=CC=C(C=C2)CO)C(=O)NCC3=CC=CC=C3)C4=CSC5=CC=CC=C54
Compound: 2-(5,7-dihydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)acetic acid ethyl ester
SMILES: CCOC(=O)CC1=C(C2=C(C=C(C=C2OC1=O)O)O)C
Compound: 5-(4,5-dimethyl-6-oxo-1-cyclohexa-2,4-dienylidene)-N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,2-dihydropyrazole-3-carboxamide
SMILES: CCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=C4C=CC(=C(C4=O)C)C)NN3
Compound: 2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]-1-(4-morpholinyl)ethanone
SMILES: CCOC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)N3CCOCC3
Compound: 2-(4-fluorophenyl)-3-(2-furanylmethyl)-10-methylpyrimido[4,5-b]quinoline-4,5-dione
SMILES: CN1C2=CC=CC=C2C(=O)C3=C1N=C(N(C3=O)CC4=CC=CO4)C5=CC=C(C=C5)F
Compound: 2-[[4-(2-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-1-phthalazinone
SMILES: C1=CC=C2C(=C1)C=NN(C2=O)CC3=NNC(=S)N3C4=CC=CC=C4Cl
Compound: 2-cyano-3-[5-(dimethylamino)-2-furanyl]-N-(phenylmethyl)-2-propenamide
SMILES: CN(C)C1=CC=C(O1)C=C(C#N)C(=O)NCC2=CC=CC=C2
Compound: N-[4,6-bis(4-morpholinyl)-1,3,5-triazin-2-yl]-2-(methylthio)-1,3-benzothiazol-6-amine
SMILES: CSC1=NC2=C(S1)C=C(C=C2)NC3=NC(=NC(=N3)N4CCOCC4)N5CCOCC5
Compound: 2-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]isoindole-1,3-dione
SMILES: COC1=CC2=C(C=C1)C=C(C(=O)N2)CCN3C(=O)C4=CC=CC=C4C3=O
Compound: N-(5-tert-butyl-2-methoxyphenyl)-3,5-dimethyl-4-isoxazolecarboxamide
SMILES: CC1=C(C(=NO1)C)C(=O)NC2=C(C=CC(=C2)C(C)(C)C)OC
Compound: 5-[4-morpholinyl(oxo)methyl]-2-pyranone
SMILES: C1COCCN1C(=O)C2=COC(=O)C=C2
Compound: N-[(2S)-1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
SMILES: CC1=CC=CC(=C1)C(=O)N[C@@H](C(C)C)C(=O)NC2=NC3=CC=CC=C3N2
Compound: N-(2,6-dimethoxy-4-pyrimidinyl)-3-phenylpropanamide
SMILES: COC1=NC(=NC(=C1)NC(=O)CCC2=CC=CC=C2)OC
Compound: 2-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
SMILES: COC1=CC=CC=C1N2CCN(CC2)CCN3C(=O)C4CCCCN4C3=O
Compound: 2-[(phenylmethyl)amino]-5-(phenylmethylene)-4-thiazolone
SMILES: C1=CC=C(C=C1)CNC2=NC(=O)C(=CC3=CC=CC=C3)S2
Compound: 6-amino-2-methyl-8-phenyl-1,6,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
SMILES: CN1CC2C(C(C(C(=C2C=C1)C#N)N)(C#N)C#N)C3=CC=CC=C3
Compound: 8-phenyl-1,3-dipropyl-7H-purine-2,6-dione
SMILES: CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=CC=C3
Compound: 5-hydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-7-phenylmethoxy-1-benzopyran-4-one
SMILES: COC1=CC(=CC(=C1OC)O)C2=COC3=CC(=C(C(=C3C2=O)O)OC)OCC4=CC=CC=C4
Compound: 3,4,5-trimethoxybenzoic acid 8-(diethylamino)octyl ester
SMILES: CCN(CC)CCCCCCCCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC
Compound: 4-[(2,4-dimethoxy-3,6-dimethylphenyl)-oxomethoxy]-2-hydroxy-3,6-dimethylbenzoic acid
SMILES: CC1=CC(=C(C(=C1C(=O)O)O)C)OC(=O)C2=C(C(=C(C=C2C)OC)C)OC
Compound: 2,3-diacetyloxybenzoic acid
SMILES: CC(=O)OC1=CC=CC(=C1OC(=O)C)C(=O)O
Compound: 7-methoxy-1-benzopyran-4-one
SMILES: COC1=CC2=C(C=C1)C(=O)C=CO2
Compound: (2S)-7-[[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2-oxanyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O
Compound: 1-(4-aminophenyl)-7,8-dimethoxy-3,5-dihydro-2,3-benzodiazepin-4-one
SMILES: COC1=C(C=C2C(=C1)CC(=O)NN=C2C3=CC=C(C=C3)N)OC
Compound: 8,10-dichloro-9-hydroxy-3-methoxy-1,7-dimethyl-6-oxo-2-benzo[b][1,4]benzodioxepincarboxylic acid methyl ester
SMILES: CC1=C2C(=C(C(=C1Cl)O)Cl)OC3=C(C(=C(C=C3OC2=O)OC)C(=O)OC)C
Compound: 1-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]pyrrolidine-2,5-dione
SMILES: COC1=CC=CC=C1N2CCN(CC2)CCCCN3C(=O)CCC3=O
Compound: 7-(2-chloroethyl)-1,3-dimethylpurine-2,6-dione
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCl
Compound: 2-[(4-hydroxyphenyl)methylidene]propanedinitrile
SMILES: C1=CC(=CC=C1C=C(C#N)C#N)O
Compound: 5-(methylamino)-2-[[(2S,3R,5R,6S,8R,9R)-3,5,9-trimethyl-2-[(2S)-1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acid
SMILES: C[C@@H]1CC[C@]2([C@@H](C[C@H]([C@H](O2)[C@H](C)C(=O)C3=CC=CN3)C)C)O[C@@H]1CC4=NC5=C(O4)C=CC(=C5C(=O)O)NC
Compound: piperonylic acid
SMILES: OC(=O)C1=CC2=C(OCO2)C=C1
Compound: 2-cyano-3-(3,4-dihydroxyphenyl)-2-propenoic acid 2-thiophen-2-ylethyl ester
SMILES: C1=CSC(=C1)CCOC(=O)C(=CC2=CC(=C(C=C2)O)O)C#N
Compound: 5-chloro-1H-indole-2-carboxylic acid
SMILES: C1=CC2=C(C=C1Cl)C=C(N2)C(=O)O
Compound: 2-(3,4-dichlorophenyl)-N-methyl-N-[(1S,2S)-2-(1-pyrrolidinyl)cyclohexyl]acetamide
SMILES: CN([C@H]1CCCC[C@@H]1N2CCCC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl
Compound: 3-(3,4-dimethoxy-5-phenylmethoxyphenyl)-5-hydroxy-6-methoxy-7-phenylmethoxy-1-benzopyran-4-one
SMILES: COC1=C(C(=CC(=C1)C2=COC3=CC(=C(C(=C3C2=O)O)OC)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OC
Compound: 8-methoxy-2-(2-methoxyphenyl)-1-benzopyran-4-one
SMILES: COC1=CC=CC=C1C2=CC(=O)C3=C(O2)C(=CC=C3)OC
Compound: (3S)-3-(3-hydroxy-2,4-dimethoxyphenyl)-8-methoxy-3,4-dihydro-2H-1-benzopyran-7-ol
SMILES: COC1=C(C(=C(C=C1)[C@@H]2CC3=C(C(=C(C=C3)O)OC)OC2)OC)O
Compound: 1-[1-(1-benzothiophen-2-yl)cyclohexyl]pyrrolidine
SMILES: C1CCC(CC1)(C2=CC3=CC=CC=C3S2)N4CCCC4
Compound: 4-[(S)-[(2S,5R)-2,5-dimethyl-4-prop-2-enyl-1-piperazinyl]-phenylmethyl]-N,N-diethylbenzamide
SMILES: CCN(CC)C(=O)C1=CC=C(C=C1)[C@H](C2=CC=CC=C2)N3C[C@H](N(C[C@@H]3C)CC=C)C
Compound: 3-(4-tert-butylphenyl)sulfonyl-2-propenenitrile
SMILES: CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)C=CC#N
Compound: N-[(4-hydroxy-2-iodo-5-methoxyphenyl)methyl]nonanamide
SMILES: CCCCCCCCC(=O)NCC1=CC(=C(C=C1I)O)OC
Compound: N-(2-hydroxyethyl)eicosa-5,8,11,14-tetraenamide
SMILES: CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCO
Compound: 3-(1,3-benzodioxol-5-yl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)-1-benzopyran-4-one
SMILES: CC(=CCC1=C(C=C2C(=C1O)C(=O)C(=CO2)C3=CC4=C(C=C3)OCO4)O)C
Compound: 6-methoxy-2-(3-methoxyphenyl)-1-benzopyran-4-one
SMILES: COC1=CC2=C(C=C1)OC(=CC2=O)C3=CC(=CC=C3)OC
Compound: 7-hydroxy-3-(3-hydroxy-2,4-dimethoxyphenyl)-1-benzopyran-4-one
SMILES: COC1=C(C(=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O)OC)O
Compound: 3-[(3-fluorophenyl)methyl]-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILES: C1CN(CCC12C(=O)N(CN2C3=CC=CC=C3)CC4=CC(=CC=C4)F)CCCC(=O)C5=CC=C(C=C5)F
Compound: 5,7-dichloro-4-oxo-1H-quinoline-2-carboxylic acid
SMILES: C1=C(C=C2C(=C1Cl)C(=O)C=C(N2)C(=O)O)Cl
Compound: N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide
SMILES: CC(=O)NCCC1=C(NC2=C1C=C(C=C2)OC)C3=CC=CC=C3
Compound: 7-methoxy-4-methyl-1-benzopyran-2-one
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)OC
Compound: 6-methoxy-2-(4-methoxyphenyl)-1-benzopyran-4-one
SMILES: COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)OC
Compound: LSM-19043
SMILES: C[C@@H]1[C@H]([C@]2([C@@H](C2(C)C)[C@H]3[C@@]1([C@@H]4C=C(C(=O)[C@]4(CC(=C3)CO)O)C)O)O)O
Compound: 2-(2-methyl-4-oxo-3-pyranyl)acetaldehyde
SMILES: CC1=C(C(=O)C=CO1)CC=O
Compound: N-(2-aminoethyl)-5-chloro-1-naphthalenesulfonamide
SMILES: C1=CC2=C(C=CC=C2Cl)C(=C1)S(=O)(=O)NCCN
Compound: 7,8-dihydroxy-4-methyl-1-benzopyran-2-one
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2O)O
Compound: 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILES: CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N
Compound: 3-hydroxy-2-methyl-1-(phenylmethyl)-4-pyridinone
SMILES: CC1=C(C(=O)C=CN1CC2=CC=CC=C2)O
Compound: 4-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methylideneamino]butanamide
SMILES: COC1=CC=C(C=C1)CCCC(=O)NN=CC2=CC=CC=C2OC
Compound: 5-(2-chlorophenyl)-N-(4-methoxyphenyl)-2-furancarboxamide
SMILES: COC1=CC=C(C=C1)NC(=O)C2=CC=C(O2)C3=CC=CC=C3Cl
Compound: 4-[oxo-(4-oxo-5H-thieno[3,2-c]quinolin-2-yl)methyl]-1-piperazinecarboxylic acid ethyl ester
SMILES: CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(S2)C4=CC=CC=C4NC3=O
Compound: 1-(3,5-dimethyl-1-pyrazolyl)-3-[2-(4-methoxyphenyl)-1-indolyl]-2-propanol
SMILES: CC1=CC(=NN1CC(CN2C3=CC=CC=C3C=C2C4=CC=C(C=C4)OC)O)C
Compound: 2-[[2-[(4-chlorophenyl)thio]-1-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
SMILES: COC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)CSC3=CC=C(C=C3)Cl
Compound: 2-[[4-(4-fluorophenyl)-5-[(1-methyl-2-pyrrolyl)methyl]-1,2,4-triazol-3-yl]thio]-N-(2-oxolanylmethyl)acetamide
SMILES: CN1C=CC=C1CC2=NN=C(N2C3=CC=C(C=C3)F)SCC(=O)NCC4CCCO4
Compound: N-[4-[[[(3-bromo-4-methylphenyl)-oxomethyl]hydrazo]-oxomethyl]phenyl]pentanamide
SMILES: CCCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC(=C(C=C2)C)Br
Compound: 3-ethoxy-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILES: CCOC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C3=NN=C(O3)C4=CC=CC=C4
Compound: (4-amino-3-ethyl-2-sulfanylidene-5-thiazolyl)-(4-morpholinyl)methanone
SMILES: CCN1C(=C(SC1=S)C(=O)N2CCOCC2)N
Compound: 2-(2-ethylphenoxy)-N-(4-sulfamoylphenyl)acetamide
SMILES: CCC1=CC=CC=C1OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N
Compound: [5,6-dimethyl-3-(pyridin-4-ylmethyl)-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl]-(2-furanyl)methanone
SMILES: CC1=C(SC2=C1CN(CN2C(=O)C3=CC=CO3)CC4=CC=NC=C4)C
Compound: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3,4-dioxo-1-cyclobutenyl]-4-piperidinecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1CCN(CC1)C2=C(C(=O)C2=O)NC3=CC4=C(C=C3)OCCO4
Compound: 4-[3-(1,3-diphenyl-4-pyrazolyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
SMILES: C1C(N(N=C1C2=CC=CS2)C(=O)CCC(=O)O)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5
Compound: 4-[2-nitro-5-[4-(phenylmethyl)sulfonyl-1-piperazinyl]phenyl]morpholine
SMILES: C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)S(=O)(=O)CC4=CC=CC=C4
Compound: LSM-19063
SMILES: CC1=CC(N2C3=C(C=C(C=C13)OC)C(=NNC(=S)N)C2=O)(C)C
Compound: 1-[2,5-dimethyl-1-(2-oxolanylmethyl)-3-pyrrolyl]-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]thio]ethanone
SMILES: CC1=CC(=C(N1CC2CCCO2)C)C(=O)CSC3=NN=C(S3)NC4=CC=C(C=C4)OC
Compound: 2-(4-tert-butylphenyl)sulfinyl-4,6-dimethyl-3-thieno[2,3-b]pyridinamine
SMILES: CC1=CC(=NC2=C1C(=C(S2)S(=O)C3=CC=C(C=C3)C(C)(C)C)N)C
Compound: 1,3-diphenyl-4-pyrazolecarboxylic acid [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] ester
SMILES: C1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)NC3=C(C=C(C=N3)Cl)Cl)C4=CC=CC=C4
Compound: N-[2-(4-methoxyphenyl)ethyl]-2-quinoxalinecarboxamide
SMILES: COC1=CC=C(C=C1)CCNC(=O)C2=NC3=CC=CC=C3N=C2
Compound: 2-(3,4-dimethoxyphenyl)-4-quinolinecarboxylic acid (2-oxo-3-oxolanyl) ester
SMILES: COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC4CCOC4=O)OC
Compound: N-[1-methyl-3-(trifluoromethyl)-5-thieno[2,3-c]pyrazolyl]carbamic acid (4-fluorophenyl)methyl ester
SMILES: CN1C2=C(C=C(S2)NC(=O)OCC3=CC=C(C=C3)F)C(=N1)C(F)(F)F
Compound: 2-[[2-(3-methyl-1-oxo-2-isoquinolinyl)-1-oxoethyl]amino]acetic acid ethyl ester
SMILES: CCOC(=O)CNC(=O)CN1C(=CC2=CC=CC=C2C1=O)C
Compound: 4-[(6-methoxy-2-naphthalenyl)sulfonyl]morpholine
SMILES: COC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)N3CCOCC3
Compound: 2-(1-imidazolyl)-4-phenyl-6-(4-phenyl-1-piperazinyl)-1,3,5-triazine
SMILES: C1CN(CCN1C2=CC=CC=C2)C3=NC(=NC(=N3)N4C=CN=C4)C5=CC=CC=C5
Compound: 3-methylbenzoic acid [4-[[[(2-hydroxyphenyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester
SMILES: CC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)C=NNC(=O)C3=CC=CC=C3O
Compound: 2-[[5-methyl-2-[4-(methylthio)phenyl]-4-oxazolyl]methylthio]-1-(4-morpholinyl)ethanone
SMILES: CC1=C(N=C(O1)C2=CC=C(C=C2)SC)CSCC(=O)N3CCOCC3
Compound: 3-(1,3-benzodioxol-5-yl)-4-phenyl-1H-1,2,4-triazole-5-thione
SMILES: C1OC2=C(O1)C=C(C=C2)C3=NNC(=S)N3C4=CC=CC=C4
Compound: 1-(3-methylphenyl)-3-[[1-[4-(4-morpholinylsulfonyl)phenyl]-4-piperidinyl]methyl]urea
SMILES: CC1=CC(=CC=C1)NC(=O)NCC2CCN(CC2)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4
Compound: [2-[(2-bromophenyl)methoxy]phenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone
SMILES: C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=CC=C3OCC4=CC=CC=C4Br
Compound: N-[4-[(3,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)OC)OC
Compound: LSM-19079
SMILES: C1CC2=C(C3=NC4=CC=CC=C4N3C(=C2C1)NCCCN5CCOCC5)C#N
Compound: 4-(4-butoxy-2-methylbenzoyl)-5-pyridin-4-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
SMILES: CCCCOC1=CC(=C(C=C1)C(=O)C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=NC=C4)C
Compound: 3-ethyl-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid
SMILES: CCN1C=NC2=C(C1=O)C(=C(S2)C(=O)O)C
Compound: 3-methyl-N-[[[(4-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]butanamide
SMILES: CC(C)CC(=O)NC(=S)NNC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
Compound: N-[[1-(benzenesulfonyl)-4-piperidinyl]methyl]benzenesulfonamide
SMILES: C1CN(CCC1CNS(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3
Compound: 2-(2,4-dichlorophenoxy)-N-[4-(4-morpholinylmethyl)phenyl]acetamide
SMILES: C1COCCN1CC2=CC=C(C=C2)NC(=O)COC3=C(C=C(C=C3)Cl)Cl
Compound: N-(3H-benzimidazol-5-yl)-2-furancarboxamide
SMILES: C1=COC(=C1)C(=O)NC2=CC3=C(C=C2)N=CN3
Compound: 8,8-dimethyl-2,9-dioxo-10H-pyrano[2,3-f][1]benzopyran-10-carboxaldehyde oxime
SMILES: C1(C(=O)C(C2=C(O1)C=CC3=C2OC(=O)C=C3)C=NO)(C)C
Compound: 2-[6-[(5-chloro-2-methoxyphenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetic acid ethyl ester
SMILES: CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)NC3=C(C=CC(=C3)Cl)OC)OC1=O
Compound: 4-(2,4-dichlorophenoxy)-N-[(3-nitrophenyl)methylideneamino]butanamide
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C=NNC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl
Compound: N-butan-2-yl-2-[[3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-oxo-2-quinazolinyl]thio]acetamide
SMILES: CCC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=C(N(N(C3=O)C4=CC=CC=C4)C)C
Compound: 1-(1-azepanyl)-2-(2-bromo-4-propan-2-ylphenoxy)ethanone
SMILES: CC(C)C1=CC(=C(C=C1)OCC(=O)N2CCCCCC2)Br
Compound: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2,3-dimethoxyphenyl)acetamide
SMILES: COC1=CC=CC(=C1OC)CC(=O)NCC2COC3=CC=CC=C3O2
Compound: 3-(2-phenyl-5-tetrazolyl)pyridine
SMILES: C1=CC=C(C=C1)N2N=C(N=N2)C3=CN=CC=C3
Compound: 2-[[2-(3,4-dimethoxyphenyl)-5-methyl-4-oxazolyl]methylsulfinyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILES: CC1=C(N=C(O1)C2=CC(=C(C=C2)OC)OC)CS(=O)CC(=O)NC3CCCC4=CC=CC=C34
Compound: N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-thiophen-2-ylbutanamide
SMILES: C1CCC2=C(C1)N=C(S2)NC(=O)CCCC3=CC=CS3
Compound: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1-methyl-2-indolecarboxylic acid
SMILES: CN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)NC3=CC4=C(C=C3)OCCO4
Compound: 4-(4-chlorophenyl)-3-phenyl-1H-imidazole-2-thione
SMILES: C1=CC=C(C=C1)N2C(=CNC2=S)C3=CC=C(C=C3)Cl
Compound: 2-(2-furanyl)-5-[4-(phenylmethyl)-1-piperazinyl]-4-oxazolecarbonitrile
SMILES: C1CN(CCN1CC2=CC=CC=C2)C3=C(N=C(O3)C4=CC=CO4)C#N
Compound: 6-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-5-thieno[2,3-b]pyrrolecarboxylic acid methyl ester
SMILES: COC1=C(C=C(C=C1)Cl)NC(=O)CN2C(=CC3=C2SC=C3)C(=O)OC
Compound: 3-(2-furanyl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole
SMILES: CS(=O)(=O)N1C(CC(=N1)C2=CC=CS2)C3=CC=CO3
Compound: 3,7-dimethyl-2-(methylthio)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
SMILES: CC1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SC)C
Compound: 2-(4-methoxyphenyl)-4-[(1,2,4-triazol-4-ylamino)methylidene]isoquinoline-1,3-dione
SMILES: COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CNN4C=NN=C4)C2=O
Compound: 2-[8-[[bis(phenylmethyl)amino]methyl]-3-methyl-2,6-dioxo-7-purinyl]acetic acid ethyl ester
SMILES: CCOC(=O)CN1C(=NC2=C1C(=O)NC(=O)N2C)CN(CC3=CC=CC=C3)CC4=CC=CC=C4
Compound: N-[4-(1-piperidinyl)phenyl]-2-quinolinecarboxamide
SMILES: C1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=NC4=CC=CC=C4C=C3
Compound: 3-(2,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)-2-propenamide
SMILES: CC1=CC(=C(C=C1)C=CC(=O)NCC2=CC=CS2)C
Compound: 5-(4-morpholinylsulfonyl)-1H-indole-3-carboxylic acid
SMILES: C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)NC=C3C(=O)O
Compound: N-cycloheptyl-3-(5,7-dioxo-6-pyrrolo[3,4-b]pyridinyl)propanamide
SMILES: C1CCCC(CC1)NC(=O)CCN2C(=O)C3=C(C2=O)N=CC=C3
Compound: [4-[(2-chlorophenyl)methylsulfonyl]-3-nitrophenyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone
SMILES: C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC(=C(C=C3)S(=O)(=O)CC4=CC=CC=C4Cl)[N+](=O)[O-]
Compound: LSM-19109
SMILES: C1CCN(CC1)C2=CC=C(O2)C=NN3C(=O)C4C5C=CC(C4C3=O)C56CC6
Compound: 1-(3-chloro-4-fluorophenyl)-4-[(4-methyl-1-piperazinyl)-oxomethyl]-2-pyrrolidinone
SMILES: CN1CCN(CC1)C(=O)C2CC(=O)N(C2)C3=CC(=C(C=C3)F)Cl
Compound: 8-[(2-fluoroanilino)hydrazinylidene]-1,3-dimethylpurine-2,6-dione
SMILES: CN1C2=NC(=NNNC3=CC=CC=C3F)N=C2C(=O)N(C1=O)C
Compound: N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]-4-fluorobenzamide
SMILES: CC1=CC(=C(C=C1)Br)NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)F)OC
Compound: N-[4-[2-[(4-methyl-2-pyridinyl)amino]-4-thiazolyl]phenyl]acetamide
SMILES: CC1=CC(=NC=C1)NC2=NC(=CS2)C3=CC=C(C=C3)NC(=O)C
Compound: metoclopramide
SMILES: CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC
Compound: 6-amino-5-cyano-4-(2,4-dimethoxyphenyl)-2-(2-ethoxy-2-oxoethyl)-4H-pyran-3-carboxylic acid ethyl ester
SMILES: CCOC(=O)CC1=C(C(C(=C(O1)N)C#N)C2=C(C=C(C=C2)OC)OC)C(=O)OCC
Compound: 5-[2-(4-ethoxy-2-hydroxyphenyl)-2-oxoethyl]-2-benzofurancarboxylic acid
SMILES: CCOC1=CC(=C(C=C1)C(=O)CC2=CC3=C(C=C2)OC(=C3)C(=O)O)O
Compound: 1-(4-hydroxyphenyl)-3-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]-2-propen-1-one
SMILES: CN1C=NN=C1SC2=C(C=C(C=C2)C=CC(=O)C3=CC=C(C=C3)O)[N+](=O)[O-]