MonarchInit/C3PO huggingface dataset:
Compound: 5-ethyl-2-[[[3-(4-morpholinyl)-4-nitrophenyl]-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester
SMILES: CCC1=CC(=C(S1)NC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)C(=O)OCC
Compound: N-(2-fluorophenyl)-3-phenylpropanamide
SMILES: C1=CC=C(C=C1)CCC(=O)NC2=CC=CC=C2F
Compound: N-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)methyl]-4-methylbenzenesulfonamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NCC2=C(C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4
Compound: 6-hydroxy-7-phenyl-4-[(4-phenyl-1-piperazinyl)methyl]-1-benzopyran-2-one
SMILES: C1CN(CCN1CC2=CC(=O)OC3=CC(=C(C=C23)O)C4=CC=CC=C4)C5=CC=CC=C5
Compound: 3-[3-(1,3-dioxo-2-benzo[de]isoquinolinyl)propylthio]propanoic acid
SMILES: C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCSCCC(=O)O
Compound: N-[3-[[diethylamino(sulfanylidene)methyl]thio]-1-oxopropyl]carbamic acid (4-propan-2-ylphenyl) ester
SMILES: CCN(CC)C(=S)SCCC(=O)NC(=O)OC1=CC=C(C=C1)C(C)C
Compound: 1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidinyl]-5-fluorobenzotriazole
SMILES: C1CN(CCC1N2C3=C(C=C(C=C3)F)N=N2)S(=O)(=O)C4=CC5=C(C=C4)OCCO5
Compound: N-[[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-hydroxybenzamide
SMILES: C1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)C=NNC(=O)C3=CC=CC=C3O
Compound: 2-[(3-ethyl-4-methyl-2-oxo-1-benzopyran-7-yl)oxy]acetic acid methyl ester
SMILES: CCC1=C(C2=C(C=C(C=C2)OCC(=O)OC)OC1=O)C
Compound: 6-phenylspiro[7-oxa-1-azabicyclo[2.2.1]heptane-2,1'-cyclopentane]
SMILES: C1CCC2(C1)CC3CC(N2O3)C4=CC=CC=C4
Compound: 2-[[3-(4-fluorophenyl)-7-triazolo[4,5-d]pyrimidinyl]thio]butanoic acid ethyl ester
SMILES: CCC(C(=O)OCC)SC1=NC=NC2=C1N=NN2C3=CC=C(C=C3)F
Compound: N-cyclohexyl-2-[(8-methoxy-6-oxo-3-benzo[c][1]benzopyranyl)oxy]acetamide
SMILES: COC1=CC2=C(C=C1)C3=C(C=C(C=C3)OCC(=O)NC4CCCCC4)OC2=O
Compound: 3-[4-(dimethylamino)phenyl]-1-[1-(3-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]-1-[(1,3,5-trimethyl-4-pyrazolyl)methyl]thiourea
SMILES: CC1=CC(=CC=C1)N2C(=O)CC(C2=O)N(CC3=C(N(N=C3C)C)C)C(=S)NC4=CC=C(C=C4)N(C)C
Compound: 5-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]methylidene]-1-hexyl-1,3-diazinane-2,4,6-trione
SMILES: CCCCCCN1C(=O)C(=CNC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C(=O)NC1=O
Compound: 4-[2-(4-fluorophenyl)-5-phenyl-7-pyrazolo[1,5-a]pyrimidinyl]morpholine
SMILES: C1COCCN1C2=CC(=NC3=CC(=NN32)C4=CC=C(C=C4)F)C5=CC=CC=C5
Compound: 2-[4-[1-(2-fluorophenyl)-4-piperidinyl]-1-[(3-methoxyphenyl)methyl]-2-piperazinyl]ethanol
SMILES: COC1=CC=CC(=C1)CN2CCN(CC2CCO)C3CCN(CC3)C4=CC=CC=C4F
Compound: 2-(2-methoxyethylthio)-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILES: COCCSC1=CC=CC=C1C(=O)NC2=NN=CS2
Compound: N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide
SMILES: CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)OCC
Compound: 1-[1-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(oxo)methyl]cyclohexyl]-3-cyclohexylurea
SMILES: C1CCC(CC1)NC(=O)NC2(CCCCC2)C(=O)N3CCN4CCCC4C3
Compound: 3,7,7-trimethyl-4-(4-methylphenyl)-4,4a,6,8-tetrahydro-[1,2]oxazolo[5,4-b]quinolin-5-one
SMILES: CC1=CC=C(C=C1)C2C3C(=NC4=C2C(=NO4)C)CC(CC3=O)(C)C
Compound: 2-[4-[2-(4-chlorophenyl)ethylamino]-3-nitrophenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
SMILES: C1C=CCC2C1C(=O)N(C2=O)C3=CC(=C(C=C3)NCCC4=CC=C(C=C4)Cl)[N+](=O)[O-]
Compound: 5-[(2-chlorophenyl)hydrazo]-3,3-bis(hydroxymethyl)-2H-1,4-oxazin-6-one
SMILES: C1C(N=C(C(=O)O1)NNC2=CC=CC=C2Cl)(CO)CO
Compound: N-cycloheptyl-2-[(3-nitrophenyl)methylideneamino]oxyacetamide
SMILES: C1CCCC(CC1)NC(=O)CON=CC2=CC(=CC=C2)[N+](=O)[O-]
Compound: N'-[4-(1-adamantyl)-2-thiazolyl]-N-[(4-fluorophenyl)methyl]oxamide
SMILES: C1C2CC3(CC1CC(C3)C2)C4=CSC(=N4)NC(=O)C(=O)NCC5=CC=C(C=C5)F
Compound: 4-[[[5-[(4-chloro-3,5-dimethyl-1-pyrazolyl)methyl]-2-furanyl]-oxomethyl]amino]benzoic acid propan-2-yl ester
SMILES: CC1=C(C(=NN1CC2=CC=C(O2)C(=O)NC3=CC=C(C=C3)C(=O)OC(C)C)C)Cl
Compound: N-(3-acetylphenyl)-4-[[3-(4-fluorophenyl)-3-oxoprop-1-enyl]amino]benzenesulfonamide
SMILES: CC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC=CC(=O)C3=CC=C(C=C3)F
Compound: 5-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-1-yl)oxymethyl]-2-furancarboxylic acid methyl ester
SMILES: CC1=CC2=C(C3=C(CCCC3)C(=O)O2)C(=C1)OCC4=CC=C(O4)C(=O)OC
Compound: N'-[(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]acetohydrazide
SMILES: CC1=NN(C(=O)C1=CNNC(=O)C)C2=CC=CC=C2
Compound: 6-amino-3-[(2-chlorophenyl)methyl]-2-propyl-4-quinazolinone
SMILES: CCCC1=NC2=C(C=C(C=C2)N)C(=O)N1CC3=CC=CC=C3Cl
Compound: 4-chloro-3-ethoxy-N-(4-ethylphenyl)benzenesulfonamide
SMILES: CCC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)OCC
Compound: N-(3-cyano-5-methyl-4-phenyl-2-thiophenyl)-3,5-dimethyl-4-isoxazolecarboxamide
SMILES: CC1=C(C(=NO1)C)C(=O)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C#N
Compound: 2-[(2-methyl-4-benzofuro[3,2-d]pyrimidinyl)thio]-N-(2-phenylethyl)acetamide
SMILES: CC1=NC2=C(C(=N1)SCC(=O)NCCC3=CC=CC=C3)OC4=CC=CC=C42
Compound: 5-bromo-2-hydroxy-N-(1-thiophen-2-ylethylideneamino)benzamide
SMILES: CC(=NNC(=O)C1=C(C=CC(=C1)Br)O)C2=CC=CS2
Compound: 3-phenyl-1,4-dihydropyrrolo[1,2-a]quinazoline-2,5-dione
SMILES: C1C(=O)C(=C2N1C3=CC=CC=C3C(=O)N2)C4=CC=CC=C4
Compound: 3-[[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]amino]benzoic acid
SMILES: C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC(=C3)C(=O)O)Cl
Compound: 3-phenyl-1H-quinoxalin-2-one
SMILES: C1=CC=C(C=C1)C2=NC3=CC=CC=C3NC2=O
Compound: N-[3-(4-morpholinyl)propyl]-2-oxo-1-benzopyran-3-carboxamide
SMILES: C1COCCN1CCCNC(=O)C2=CC3=CC=CC=C3OC2=O
Compound: 1-(2,4-dihydroxyphenyl)-1-hexanone
SMILES: CCCCCC(=O)C1=C(C=C(C=C1)O)O
Compound: 2-(1H-benzimidazol-2-yl)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-1-(4-morpholinyl)-2-propen-1-one
SMILES: CCOC1=C(C(=CC(=C1)C=C(C2=NC3=CC=CC=C3N2)C(=O)N4CCOCC4)Cl)OC
Compound: 4-hydroxy-3-(1-piperidinylmethyl)-1-benzopyran-2-one
SMILES: C1CCN(CC1)CC2=C(C3=CC=CC=C3OC2=O)O
Compound: 2-[[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-oxomethyl]-3-methyl-3-bicyclo[2.2.1]hept-5-enecarboxylic acid
SMILES: CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3C4CC(C3(C)C(=O)O)C=C4
Compound: 1-methyl-2-[(4-methyl-1-piperidinyl)methyl]-3-indolecarbonitrile
SMILES: CC1CCN(CC1)CC2=C(C3=CC=CC=C3N2C)C#N
Compound: 2-[(5,7-dimethyl-2-imidazo[1,2-a]pyrimidinyl)methylthio]acetic acid
SMILES: CC1=CC(=NC2=NC(=CN12)CSCC(=O)O)C
Compound: [1-[(6-chloro-2H-1-benzopyran-3-yl)methyl]-4-(2-phenoxyethyl)-4-piperidinyl]methanol
SMILES: C1CN(CCC1(CCOC2=CC=CC=C2)CO)CC3=CC4=C(C=CC(=C4)Cl)OC3
Compound: N-[3-(3,5-dimethyl-1-piperidinyl)propyl]-2-(1-piperidinyl)-1,3-benzothiazole-6-carboxamide
SMILES: CC1CC(CN(C1)CCCNC(=O)C2=CC3=C(C=C2)N=C(S3)N4CCCCC4)C
Compound: 1-butyl-3-(4-phenoxyphenyl)thiourea
SMILES: CCCCNC(=S)NC1=CC=C(C=C1)OC2=CC=CC=C2
Compound: 3-[2-(2,4-dimethyl-3-furanyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)-2-indolone
SMILES: CC1=COC(=C1C(=O)CC2(C3=CC=CC=C3N(C2=O)CCC4=CC=CC=C4)O)C
Compound: N-[[5-chloro-1-(3-chlorophenyl)-3-methyl-4-pyrazolyl]methylideneamino]-2-thiophenecarboxamide
SMILES: CC1=NN(C(=C1C=NNC(=O)C2=CC=CS2)Cl)C3=CC(=CC=C3)Cl
Compound: 2-[[(3,5-dichloro-4-ethoxyphenyl)-oxomethyl]amino]benzoic acid
SMILES: CCOC1=C(C=C(C=C1Cl)C(=O)NC2=CC=CC=C2C(=O)O)Cl
Compound: 2-(4-chlorophenoxy)-N-(2-thiophen-2-yl-3-imidazo[1,2-a]pyridinyl)acetamide
SMILES: C1=CC2=NC(=C(N2C=C1)NC(=O)COC3=CC=C(C=C3)Cl)C4=CC=CS4
Compound: 5-(3-fluorophenoxy)-8-nitroisoquinoline
SMILES: C1=CC(=CC(=C1)F)OC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]
Compound: N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide
SMILES: CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=C(C(=NO3)C)C)C4=CC=CC=C4
Compound: 3-chloro-4-[(1-ethyl-2-benzimidazolyl)thio]aniline
SMILES: CCN1C2=CC=CC=C2N=C1SC3=C(C=C(C=C3)N)Cl
Compound: 2-(1H-benzimidazol-2-yl)-4-(3,4-dimethoxyphenyl)-3-oxobutanenitrile
SMILES: COC1=C(C=C(C=C1)CC(=O)C(C#N)C2=NC3=CC=CC=C3N2)OC
Compound: N-(4-ethoxyphenyl)-2-[4-[2-(methylthio)ethyl]-2,5-dioxo-1-imidazolidinyl]acetamide
SMILES: CCOC1=CC=C(C=C1)NC(=O)CN2C(=O)C(NC2=O)CCSC
Compound: 3-[3-(2-hydroxyethylsulfamoyl)-4,5-dimethoxyphenyl]-2-propenoic acid
SMILES: COC1=C(C(=CC(=C1)C=CC(=O)O)S(=O)(=O)NCCO)OC
Compound: 2-[(3-nitrophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
SMILES: C1CN2CCC1C(=O)C2=CC3=CC(=CC=C3)[N+](=O)[O-]
Compound: 1-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl]-1-butanone
SMILES: CCCC(=O)N1CCCC(C1)C2=NC(=NO2)C3=CC(=CC=C3)OC
Compound: N-[2-methoxy-5-(3-methyl-4-oxo-1-phthalazinyl)phenyl]-2-(4-methylphenoxy)acetamide
SMILES: CC1=CC=C(C=C1)OCC(=O)NC2=C(C=CC(=C2)C3=NN(C(=O)C4=CC=CC=C43)C)OC
Compound: 2-[7-oxo-7-(3-phenyl-1-pyrrolidinyl)heptyl]isoindole-1,3-dione
SMILES: C1CN(CC1C2=CC=CC=C2)C(=O)CCCCCCN3C(=O)C4=CC=CC=C4C3=O
Compound: dibenzylidenehydrazine
SMILES: C1=CC=C(C=C1)C=NN=CC2=CC=CC=C2
Compound: 1-(4-methoxyphenyl)-N-(2-oxolanylmethyl)-4-pyrazolo[3,4-d]pyrimidinamine
SMILES: COC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NCC4CCCO4
Compound: 3-[4-(2-hydroxyethylamino)-3-nitrophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILES: CC1CC(=O)NN=C1C2=CC(=C(C=C2)NCCO)[N+](=O)[O-]
Compound: (2R,3R,4S)-4-(1-benzothiophen-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid prop-2-enyl ester
SMILES: CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)OCC=C)C2=CSC3=CC=CC=C32)CCCO
Compound: 3-chloro-5-(2-furanyl)-N-propan-2-yl-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide
SMILES: CC(C)NC(=O)C1=NN2C(=CC(=NC2=C1Cl)C3=CC=CO3)C(F)(F)F
Compound: 4-[[5-[(3,4-dichlorophenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]methyl]morpholine
SMILES: C1COCCN1CC2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=C(C=C4)Cl)Cl
Compound: 2-(5-chloro-1,3-benzoxazol-2-yl)-3-[(5-chloro-2-pyridinyl)amino]-2-propenal
SMILES: C1=CC2=C(C=C1Cl)N=C(O2)C(=CNC3=NC=C(C=C3)Cl)C=O
Compound: 6-chloro-3-[2-(diethylamino)ethyl]-2-sulfanylidene-1H-quinazolin-4-one
SMILES: CCN(CC)CCN1C(=O)C2=C(C=CC(=C2)Cl)NC1=S
Compound: 4-chloro-N-(4-hydrazinyl-6-methyl-2-pyrimidinyl)benzenesulfonamide
SMILES: CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)Cl)NN
Compound: 1-(2-methoxyethyl)-2-[(4-methylphenoxy)methyl]benzimidazole
SMILES: CC1=CC=C(C=C1)OCC2=NC3=CC=CC=C3N2CCOC
Compound: 1-(2-furanyl)-3-(phenylthio)-3-thiophen-2-yl-1-propanone
SMILES: C1=CC=C(C=C1)SC(CC(=O)C2=CC=CO2)C3=CC=CS3
Compound: 1-(4-methylphenyl)-5-(4-morpholinylmethylideneamino)-4-pyrazolecarbonitrile
SMILES: CC1=CC=C(C=C1)N2C(=C(C=N2)C#N)N=CN3CCOCC3
Compound: 5-bromo-N-[2-(4-morpholinyl)-5-(trifluoromethyl)phenyl]-3-pyridinecarboxamide
SMILES: C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=CC(=CN=C3)Br
Compound: 3-chloro-4-[(2-fluorobenzyl)oxy]benzaldehyde oxime
SMILES: C1=CC=C(C(=C1)COC2=CC=C(C=C2Cl)C=NO)F
Compound: N-[4-[[[2-(2,5-dimethylphenoxy)-1-oxoethyl]hydrazo]-oxomethyl]phenyl]propanamide
SMILES: CCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)COC2=C(C=CC(=C2)C)C
Compound: 6-amino-4-[4-(2-amino-2-oxoethoxy)-2-chloro-5-methoxyphenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylic acid methyl ester
SMILES: CC1=C(C(C(=C(O1)N)C#N)C2=CC(=C(C=C2Cl)OCC(=O)N)OC)C(=O)OC
Compound: N-(4-methoxy-2-nitrophenyl)-3-[(2-methyl-1-oxopropyl)amino]benzamide
SMILES: CC(C)C(=O)NC1=CC=CC(=C1)C(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-]
Compound: 3-[(2-chloro-4-fluorophenoxy)methyl]-1,2,3-benzotriazin-4-one
SMILES: C1=CC=C2C(=C1)C(=O)N(N=N2)COC3=C(C=C(C=C3)F)Cl
Compound: N-[(4-fluorophenyl)methylideneamino]benzamide
SMILES: C1=CC=C(C=C1)C(=O)NN=CC2=CC=C(C=C2)F
Compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylsulfonyl-4-piperidinecarboxamide
SMILES: CS(=O)(=O)N1CCC(CC1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl
Compound: 4-[[2-(3-ethylanilino)-3,4-dioxo-1-cyclobutenyl]amino]-1-piperidinecarboxylic acid ethyl ester
SMILES: CCC1=CC(=CC=C1)NC2=C(C(=O)C2=O)NC3CCN(CC3)C(=O)OCC
Compound: N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenoxyacetamide
SMILES: CN(C1=CC=CC(=C1)NC(=O)COC2=CC=CC=C2)S(=O)(=O)C
Compound: 2-bromo-6-[1,4-dioxa-8-azaspiro[4.5]decan-8-yl(oxo)methyl]-11-pyrido[2,1-b]quinazolinone
SMILES: C1CN(CCC12OCCO2)C(=O)C3=CC=CN4C3=NC5=C(C4=O)C=C(C=C5)Br
Compound: N-[2-(4-methoxyphenyl)ethyl]-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline
SMILES: COC1=CC=C(C=C1)CCNC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]
Compound: N-(1-cyclohex-3-enylmethylideneamino)-2,4-dihydroxybenzamide
SMILES: C1CC(CC=C1)C=NNC(=O)C2=C(C=C(C=C2)O)O
Compound: 3,4-dihydro-2H-quinolin-1-yl-(4-propoxyphenyl)methanone
SMILES: CCCOC1=CC=C(C=C1)C(=O)N2CCCC3=CC=CC=C32
Compound: 2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]thio]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILES: C1=CC(=CC(=C1)F)C2=NN=C(O2)SCC(=O)NC3=NN=CS3
Compound: N-[3-[(cyclopropylamino)-oxomethyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]-2-furancarboxamide
SMILES: C1CCCC2=C(CC1)C(=C(S2)NC(=O)C3=CC=CO3)C(=O)NC4CC4
Compound: 6-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-N-ethyl-N-phenyl-3-pyridinesulfonamide
SMILES: CCN(C1=CC=CC=C1)S(=O)(=O)C2=CN=C(C=C2)NCC3COC4=CC=CC=C4O3
Compound: 6-amino-2-[[2-(3,4-dimethylphenyl)-2-oxoethyl]thio]-1H-pyrimidin-4-one
SMILES: CC1=C(C=C(C=C1)C(=O)CSC2=NC(=O)C=C(N2)N)C
Compound: 2-(4-chloro-2-methylanilino)-3-pyridinecarboxamide
SMILES: CC1=C(C=CC(=C1)Cl)NC2=C(C=CC=N2)C(=O)N
Compound: 2-[(1,5-diphenyl-2-imidazolyl)thio]-N-(2-furanylmethyl)acetamide
SMILES: C1=CC=C(C=C1)C2=CN=C(N2C3=CC=CC=C3)SCC(=O)NCC4=CC=CO4
Compound: 1-(4-chlorophenyl)-3-[5-[(4-chlorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]urea
SMILES: C1=CC(=CC=C1CSC2=NN=C(S2)NC(=O)NC3=CC=C(C=C3)Cl)Cl
Compound: 2-[2-(4-methylphenoxy)ethyl]isoindole-1,3-dione
SMILES: CC1=CC=C(C=C1)OCCN2C(=O)C3=CC=CC=C3C2=O
Compound: 6-[[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid
SMILES: CCSC1=NN=C(S1)NC(=O)C2CC=CCC2C(=O)O
Compound: 2-(4-chlorophenyl)-1-phthalazinone
SMILES: C1=CC=C2C(=C1)C=NN(C2=O)C3=CC=C(C=C3)Cl
Compound: N-(1H-benzimidazol-2-yl)-2-nitrobenzamide
SMILES: C1=CC=C(C(=C1)C(=O)NC2=NC3=CC=CC=C3N2)[N+](=O)[O-]
Compound: 2-chloro-N-[3-[4-[3-[[(2-chloro-5-nitrophenyl)-oxomethyl]amino]propyl]-1-piperazinyl]propyl]-5-nitrobenzamide
SMILES: C1CN(CCN1CCCNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)CCCNC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl
Compound: 6-[[[2-(phenylmethylthio)-4-pyrimidinyl]hydrazo]methylidene]-1-cyclohexa-2,4-dienone
SMILES: C1=CC=C(C=C1)CSC2=NC=CC(=N2)NNC=C3C=CC=CC3=O
Compound: 1-(4-chlorophenyl)-3-(2-ethoxyphenyl)urea
SMILES: CCOC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)Cl
Compound: 2-[(4-bromophenoxy)methyl]-5-[2-(3,4-dimethoxyphenyl)ethylamino]-4-oxazolecarbonitrile
SMILES: COC1=C(C=C(C=C1)CCNC2=C(N=C(O2)COC3=CC=C(C=C3)Br)C#N)OC
Compound: N-(2-hydroxy-5-nitrophenyl)-3-nitrobenzamide
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])O
Compound: N'-[1-oxo-2-(4-propan-2-ylphenoxy)ethyl]-2-pyrazinecarbohydrazide
SMILES: CC(C)C1=CC=C(C=C1)OCC(=O)NNC(=O)C2=NC=CN=C2
Compound: [2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(1-pyrrolidinyl)methanone
SMILES: CC1=CC=C(C=C1)C2=NOC(=N2)C3=CC=CC=C3C(=O)N4CCCC4
Compound: 1-[(4-fluorophenyl)methyl]-N-[4-(4-methyl-1-piperazinyl)phenyl]-2-oxo-3H-benzimidazole-5-carboxamide
SMILES: CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)N(C(=O)N4)CC5=CC=C(C=C5)F
Compound: N-[(2-methoxyphenyl)methyl]-2-methyl-3-prop-2-enoxy-6-indazolecarboxamide
SMILES: CN1C(=C2C=CC(=CC2=N1)C(=O)NCC3=CC=CC=C3OC)OCC=C
Compound: 2-[2-(4-chlorophenoxy)ethylthio]pyrimidine
SMILES: C1=CN=C(N=C1)SCCOC2=CC=C(C=C2)Cl
Compound: 8-methyl-1-[2-(2-methyl-1-piperidinyl)-2-oxoethyl]-4-[1]benzopyrano[4,3-c]pyrazolone
SMILES: CC1CCCCN1C(=O)CN2C3=C(C=N2)C(=O)OC4=C3C=C(C=C4)C
Compound: N-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
SMILES: C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O
Compound: 2-bromo-N-(3-methoxyphenyl)benzamide
SMILES: COC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2Br
Compound: 1-[2-(diethylsulfamoyl)-4-nitroanilino]-3-(4-fluorophenyl)urea
SMILES: CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NNC(=O)NC2=CC=C(C=C2)F
Compound: 5-(5-bromo-2-oxo-1-prop-2-enyl-3-indolylidene)-2-(4-morpholinyl)-4-thiazolone
SMILES: C=CCN1C2=C(C=C(C=C2)Br)C(=C3C(=O)N=C(S3)N4CCOCC4)C1=O
Compound: 2-(4-ethoxyphenyl)-3,4-dimethyl-7-[2-(1-pyrrolidinyl)ethylthio]pyrazolo[3,4-d]pyridazine
SMILES: CCOC1=CC=C(C=C1)N2C(=C3C(=NN=C(C3=N2)SCCN4CCCC4)C)C
Compound: 4-methyl-6-[2-(4-methyl-1-piperidinyl)-2-oxoethoxy]-1-benzopyran-2-one
SMILES: CC1CCN(CC1)C(=O)COC2=CC3=C(C=C2)OC(=O)C=C3C
Compound: 3-[[2-[[4-ethyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid
SMILES: CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)O)COC3=CC=CC(=C3)C
Compound: 2,6-bis[(1,5-dimethyl-4-pyrazolyl)methylidene]-1-cyclohexanone
SMILES: CC1=C(C=NN1C)C=C2CCCC(=CC3=C(N(N=C3)C)C)C2=O
Compound: cyclobutyl-[5-[(2-ethyl-1-piperidinyl)sulfonyl]-2,3-dihydroindol-1-yl]methanone
SMILES: CCC1CCCCN1S(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C4CCC4
Compound: 2-[(2-nitrophenyl)methylthio]-1,3-benzoxazole
SMILES: C1=CC=C(C(=C1)CSC2=NC3=CC=CC=C3O2)[N+](=O)[O-]
Compound: 4-(4-tetrazolo[1,5-a]quinoxalinyl)morpholine
SMILES: C1COCCN1C2=NC3=CC=CC=C3N4C2=NN=N4
Compound: 5-[1-[4-(diethylamino)anilino]propylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILES: CCC(=C1C(=O)NC(=O)N(C1=O)CC=C)NC2=CC=C(C=C2)N(CC)CC
Compound: 1-methyl-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)thiourea
SMILES: CNC(=S)NCC1=CC2=C(C=C1)NC3=C2CCCC3
Compound: 2-hydroxybenzoic acid [2-[[(1-methyl-2-pyrrolyl)-oxomethyl]amino]-2-oxoethyl] ester
SMILES: CN1C=CC=C1C(=O)NC(=O)COC(=O)C2=CC=CC=C2O
Compound: 2-(2-ethyl-1-piperidinyl)-1-(2-methyl-1H-indol-3-yl)ethanone
SMILES: CCC1CCCCN1CC(=O)C2=C(NC3=CC=CC=C32)C
Compound: 2,4-dihydroxy-N-[[4-methoxy-3-[(2-pyridinylthio)methyl]phenyl]methylideneamino]benzamide
SMILES: COC1=C(C=C(C=C1)C=NNC(=O)C2=C(C=C(C=C2)O)O)CSC3=CC=CC=N3
Compound: [4-[(2-bromophenoxy)methyl]phenyl]-(1-piperidinyl)methanone
SMILES: C1CCN(CC1)C(=O)C2=CC=C(C=C2)COC3=CC=CC=C3Br
Compound: 2-(2-bromophenyl)-4-[(2-pyridinylamino)methylidene]-5-oxazolone
SMILES: C1=CC=C(C(=C1)C2=NC(=CNC3=CC=CC=N3)C(=O)O2)Br
Compound: 1-[[4-anilino-6-(1-piperidinyl)-1,3,5-triazin-2-yl]amino]-3-cyclohexylthiourea
SMILES: C1CCC(CC1)NC(=S)NNC2=NC(=NC(=N2)NC3=CC=CC=C3)N4CCCCC4
Compound: 4-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-oxoethyl]amino]benzoic acid ethyl ester
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2COC3=CC=CC=C3O2
Compound: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[1-(4-ethoxyphenyl)-2-imidazolyl]thio]ethanone
SMILES: CCOC1=CC=C(C=C1)N2C=CN=C2SCC(=O)N3CCCC4=CC=CC=C43
Compound: 2-[(2-chlorophenyl)methylthio]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILES: C1CC2=NC(=CN2C1)SCC3=CC=CC=C3Cl
Compound: 2-(4-benzofuro[3,2-d]pyrimidinylthio)-N-(3-methylphenyl)acetamide
SMILES: CC1=CC(=CC=C1)NC(=O)CSC2=NC=NC3=C2OC4=CC=CC=C43
Compound: 2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-[2-methyl-5-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester
SMILES: CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)C3COC4=CC=CC=C4O3
Compound: 2-[(4-oxo-2-phenyl-1-benzopyran-3-yl)oxy]acetic acid
SMILES: C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)OCC(=O)O
Compound: N-(2,4-dichlorophenyl)-4-phenylbenzamide
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)Cl)Cl
Compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-propan-2-yl-5-tetrazolyl)thio]ethanone
SMILES: CC(C)N1C(=NN=N1)SCC(=O)C2=CC3=C(C=C2)OCCO3
Compound: 2-(2,4-dimethoxyanilino)-N-[3-(4-methyl-1-piperazinyl)propyl]-4-quinolinecarboxamide
SMILES: CN1CCN(CC1)CCCNC(=O)C2=CC(=NC3=CC=CC=C32)NC4=C(C=C(C=C4)OC)OC
Compound: 4-(1-phenylethyl)-3-(5-propyl-3-thiophenyl)-1H-1,2,4-triazole-5-thione
SMILES: CCCC1=CC(=CS1)C2=NNC(=S)N2C(C)C3=CC=CC=C3
Compound: 2-[[(4-bromo-1-ethyl-3-pyrazolyl)-oxomethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester
SMILES: CCN1C=C(C(=N1)C(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OCC)Br
Compound: N-[2-[2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-4-(4-methylphenyl)-5-thiazolyl]acetamide
SMILES: CC1=CC=C(C=C1)C2=C(SC(=N2)NN=CC3=CC(=C(C=C3)OC)OC)NC(=O)C
Compound: 4-methyl-N-[3-[1-(phenylmethyl)-4-piperidinyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=NCN(CN2)C3CCN(CC3)CC4=CC=CC=C4
Compound: 8-methyl-1,5-dihydropyrimido[5,4-b]indole-4-thione
SMILES: CC1=CC2=C(C=C1)NC3=C2NC=NC3=S
Compound: 3-(3,5-dimethyl-1-pyrazolyl)-6-[4-(4-fluorophenyl)-1-piperazinyl]-1,2,4,5-tetrazine
SMILES: CC1=CC(=NN1C2=NN=C(N=N2)N3CCN(CC3)C4=CC=C(C=C4)F)C
Compound: N-[[4-(dimethylamino)phenyl]methylideneamino]-2-phenoxyacetamide
SMILES: CN(C)C1=CC=C(C=C1)C=NNC(=O)COC2=CC=CC=C2
Compound: N-(2,4-difluorophenyl)-3-methoxybenzamide
SMILES: COC1=CC=CC(=C1)C(=O)NC2=C(C=C(C=C2)F)F
Compound: N-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-sulfanylidenemethyl]-2,4-dimethylbenzamide
SMILES: CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OCCO3)C
Compound: 6-(4-heptoxyphenyl)-3-pyridinecarbonitrile
SMILES: CCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=C2)C#N
Compound: N-(1-thiophen-2-ylethylideneamino)-4-pyridinecarboxamide
SMILES: CC(=NNC(=O)C1=CC=NC=C1)C2=CC=CS2
Compound: N-[[3-(hydroxymethyl)anilino]-sulfanylidenemethyl]-4-phenylbenzamide
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC(=S)NC3=CC=CC(=C3)CO
Compound: 1,3-dimethyl-8-(4-phenyl-1-piperazinyl)-7H-purine-2,6-dione
SMILES: CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCN(CC3)C4=CC=CC=C4
Compound: 4-methoxy-1,3-dimethyl-6-thiophen-2-yl-8-cyclohepta[c]furanone
SMILES: CC1=C2C(=CC(=CC(=O)C2=C(O1)C)C3=CC=CS3)OC
Compound: N-[[3-chloro-4-(4-morpholinyl)anilino]-sulfanylidenemethyl]-2-(4-methoxyphenoxy)acetamide
SMILES: COC1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC(=C(C=C2)N3CCOCC3)Cl
Compound: 5-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]-2-(phenylmethyl)-3,4-dihydroisoquinolin-1-one
SMILES: C1CN(C(=O)C2=C1C(=CC=C2)OCC(=O)N3C(CC(=N3)C4=CC=CS4)C5=CC=C(C=C5)F)CC6=CC=CC=C6
Compound: 2-[[5-(2-furanyl)-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)ethanone
SMILES: C1COCCN1C(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=CO4
Compound: 3-[3,5-dimethyl-1-[6-(1-piperidinyl)-3-pyridazinyl]-4-pyrazolyl]-N-(3-fluorophenyl)propanamide
SMILES: CC1=C(C(=NN1C2=NN=C(C=C2)N3CCCCC3)C)CCC(=O)NC4=CC(=CC=C4)F
Compound: 1-[1-ethyl-6-methyl-4-(4-phenyl-1-piperazinyl)-2-sulfanylidene-5-pyrimidinyl]ethanone
SMILES: CCN1C(=C(C(=NC1=S)N2CCN(CC2)C3=CC=CC=C3)C(=O)C)C
Compound: [(1,3-diphenyl-4-pyrazolyl)methylideneamino]urea
SMILES: C1=CC=C(C=C1)C2=NN(C=C2C=NNC(=O)N)C3=CC=CC=C3
Compound: N-(4,5-dihydrothiazol-2-yl)-3-[5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanamide
SMILES: COC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)S2)CCC(=O)NC3=NCCS3)OC
Compound: 3-(acetyloxymethyl)-7-[[3-(4-chloro-3,5-dimethyl-1-pyrazolyl)-2-methyl-1-oxopropyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SMILES: CC1=C(C(=NN1CC(C)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)C)C(=O)O)C)Cl
Compound: 1-[oxo-(2-oxo-1-benzopyran-3-yl)methyl]-4-piperidinecarboxylic acid methyl ester
SMILES: COC(=O)C1CCN(CC1)C(=O)C2=CC3=CC=CC=C3OC2=O
Compound: 1-(4-methyl-2-oxo-1-benzopyran-7-yl)-3-(2-pyridinylmethyl)thiourea
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NCC3=CC=CC=N3
Compound: 1-[2-(difluoromethoxy)-4-methylphenyl]-3-(2,4-difluorophenyl)urea
SMILES: CC1=CC(=C(C=C1)NC(=O)NC2=C(C=C(C=C2)F)F)OC(F)F
Compound: 3-[[2-(2-chloro-4-fluorophenoxy)-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester
SMILES: COC(=O)C1=C(C=CS1)NC(=O)COC2=C(C=C(C=C2)F)Cl
Compound: 3-(4-methoxyphenyl)-3-(1-pyrrolyl)-N-(2-thiazolyl)propanamide
SMILES: COC1=CC=C(C=C1)C(CC(=O)NC2=NC=CS2)N3C=CC=C3
Compound: 4-(2-chlorophenoxy)-2-(2-pyridinyl)-6-(trifluoromethyl)pyrimidine
SMILES: C1=CC=C(C(=C1)OC2=NC(=NC(=C2)C(F)(F)F)C3=CC=CC=N3)Cl
Compound: 1-(2,3-dihydroindol-1-yl)-2-(phenylthio)ethanone
SMILES: C1CN(C2=CC=CC=C21)C(=O)CSC3=CC=CC=C3
Compound: 2-[(4-fluorophenoxy)methyl]-5-[3-(1-imidazolyl)propylamino]-4-oxazolecarbonitrile
SMILES: C1=CC(=CC=C1OCC2=NC(=C(O2)NCCCN3C=CN=C3)C#N)F
Compound: N'-(1,3-benzothiazol-2-yl)-4-fluorobenzohydrazide
SMILES: C1=CC=C2C(=C1)N=C(S2)NNC(=O)C3=CC=C(C=C3)F
Compound: 2,6-dimethyl-4-(2-pyridinyl)-3,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester
SMILES: CCOC(=O)C1C(C(=C(N=C1C)C)C(=O)OCC)C2=CC=CC=N2
Compound: N-(4-fluorophenyl)-2-[4-[oxo(1-piperidinyl)methyl]-1-piperazinyl]acetamide
SMILES: C1CCN(CC1)C(=O)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)F
Compound: 3-(1,3-dimethyl-4-pyrazolyl)-4-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione
SMILES: CC1=NN(C=C1C2=NNC(=S)N2C3=CC=CC=C3OC)C
Compound: 4-[[4-(2-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]sulfonyl]-N-(5-methyl-3-isoxazolyl)butanamide
SMILES: CC1=CC(=NO1)NC(=O)CCCS(=O)(=O)C2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3OC
Compound: 1-(3-furanyl)-3-(4-methoxyphenyl)-2-propen-1-one
SMILES: COC1=CC=C(C=C1)C=CC(=O)C2=COC=C2
Compound: N-[4-(4-methoxyphenyl)-2-thiazolyl]-5-methyl-2-phenyl-4-oxazolecarboxamide
SMILES: CC1=C(N=C(O1)C2=CC=CC=C2)C(=O)NC3=NC(=CS3)C4=CC=C(C=C4)OC
Compound: N-tert-butyl-7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide
SMILES: CC1(CC2(CCO1)C(CC(=O)O2)C(=O)NC(C)(C)C)C
Compound: N-[4-(1-pyrrolidinyl)phenyl]-2-naphthalenecarboxamide
SMILES: C1CCN(C1)C2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4C=C3
Compound: N-(2-methoxyethyl)-3-methyl-5H-indazolo[2,3-a][3,1]benzoxazine-9-carboxamide
SMILES: CC1=CC2=C(C=C1)N3C(=C4C=CC(=CC4=N3)C(=O)NCCOC)OC2
Compound: N-[2-(1-cyclohexenyl)ethyl]-4-(4-morpholinylmethyl)benzamide
SMILES: C1CCC(=CC1)CCNC(=O)C2=CC=C(C=C2)CN3CCOCC3
Compound: 1,4-dihydroxy-4a,5,6,7,8,8a-hexahydroquinoxaline-2,3-dione
SMILES: C1CCC2C(C1)N(C(=O)C(=O)N2O)O
Compound: 2-[4-chloro-2-methyl-5-(2-pyridinylsulfamoyl)phenoxy]acetamide
SMILES: CC1=CC(=C(C=C1OCC(=O)N)S(=O)(=O)NC2=CC=CC=N2)Cl
Compound: N'-[(4-methyl-2,6-dioxo-5-pyrimidinylidene)methyl]-3-(4-propan-2-yloxyphenyl)propanehydrazide
SMILES: CC1=NC(=O)NC(=O)C1=CNNC(=O)CCC2=CC=C(C=C2)OC(C)C
Compound: N-[(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-5-methyl-3-phenyl-4-isoxazolecarboxamide
SMILES: CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NN=CC3=CC4=C(C=C3Cl)OCO4
Compound: 5-[[2-[4-[1-(1,3-dioxo-2-indenylidene)ethyl]-1-piperazinyl]ethylamino]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILES: CC(=C1C(=O)C2=CC=CC=C2C1=O)N3CCN(CC3)CCNC=C4C(=O)N(C(=O)N(C4=O)C)C
Compound: LSM-19637
SMILES: CCN(CC)CCNC1=NC=NC2=C1SC3=NC(=C4CSC(CC4=C23)(C)C)N5CCOCC5
Compound: 7-[2-(1,3-benzothiazol-2-ylthio)ethyl]-1,3-dimethyl-8-(3-methyl-1-piperidinyl)purine-2,6-dione
SMILES: CC1CCCN(C1)C2=NC3=C(N2CCSC4=NC5=CC=CC=C5S4)C(=O)N(C(=O)N3C)C
Compound: 2-phenoxyacetic acid (2-oxo-1,2-diphenylethyl) ester
SMILES: C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)OC(=O)COC3=CC=CC=C3
Compound: N-(4,5-dihydrothiazol-2-yl)-3,5-dimethyl-1-adamantanecarboxamide
SMILES: CC12CC3CC(C1)(CC(C3)(C2)C)C(=O)NC4=NCCS4
Compound: 2-methyl-3-phenyl-5-propyl-7-[4-(2-pyridinyl)-1-piperazinyl]pyrazolo[1,5-a]pyrimidine
SMILES: CCCC1=NC2=C(C(=NN2C(=C1)N3CCN(CC3)C4=CC=CC=N4)C)C5=CC=CC=C5
Compound: 3-[(6-methyl-4-phenyl-2-quinazolinyl)amino]propanoic acid
SMILES: CC1=CC2=C(C=C1)N=C(N=C2C3=CC=CC=C3)NCCC(=O)O
Compound: N-(2-methoxyphenyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILES: CC1CCC2=C(C1)SC=C2C(=O)NC3=CC=CC=C3OC
Compound: 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-(phenylmethyl)amino]-N-[(4-methylphenyl)methylideneamino]acetamide
SMILES: CC1=CC=C(C=C1)C=NNC(=O)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4
Compound: 4-methyl-N-[2-[(5-oxo-2,3-dihydrothiazolo[2,3-b]quinazolin-3-yl)methylthio]phenyl]benzamide
SMILES: CC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2SCC3CSC4=NC5=CC=CC=C5C(=O)N34
Compound: 5-[2-furanyl(4-morpholinyl)methyl]-2-methyl-6-thiazolo[3,2-b][1,2,4]triazolol
SMILES: CC1=NN2C(=C(SC2=N1)C(C3=CC=CO3)N4CCOCC4)O
Compound: 4-[2-(3,4-dimethoxyphenyl)ethylamino]-3-nitrobenzoic acid
SMILES: COC1=C(C=C(C=C1)CCNC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])OC
Compound: 2-methoxy-4-[(4-methyl-1,4-diazepan-1-yl)methyl]-6-nitrophenol
SMILES: CN1CCCN(CC1)CC2=CC(=C(C(=C2)OC)O)[N+](=O)[O-]
Compound: N-(3-dibenzofuranyl)-4-morpholinecarboxamide
SMILES: C1COCCN1C(=O)NC2=CC3=C(C=C2)C4=CC=CC=C4O3
Compound: 7-(2,3-dimethoxyphenyl)-5-(trifluoromethyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(N=C2N=CNN2C1C3=C(C(=CC=C3)OC)OC)C(F)(F)F
Compound: N-[[2-cyanoethyl(methyl)amino]-sulfanylidenemethyl]-4-(4-morpholinylsulfonyl)benzamide
SMILES: CN(CCC#N)C(=S)NC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCOCC2
Compound: 2-furanyl-[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2-yl]methanone
SMILES: C1CCC2C(=NN(C2(C(F)(F)F)O)C(=O)C3=CC=CO3)CC1
Compound: 3-(4-chlorophenyl)-6-(1-pyrrolidinyl)-1,2,4,5-tetrazine
SMILES: C1CCN(C1)C2=NN=C(N=N2)C3=CC=C(C=C3)Cl
Compound: 4-[[(5-methyl-2,4-diphenyl-3-pyrazolyl)amino]methylidene]-1-cyclohexa-2,5-dienone
SMILES: CC1=NN(C(=C1C2=CC=CC=C2)NC=C3C=CC(=O)C=C3)C4=CC=CC=C4
Compound: 1-(4-bromophenyl)-1'-methyl-6'-nitro-2'-phenylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione
SMILES: CN1C(C2(CC3=C1C=CC(=C3)[N+](=O)[O-])C(=O)NC(=O)N(C2=O)C4=CC=C(C=C4)Br)C5=CC=CC=C5
Compound: 5-[1-[(3,5-dimethoxyphenyl)methylamino]propylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILES: CCC(=C1C(=O)NC(=O)N(C1=O)CC=C)NCC2=CC(=CC(=C2)OC)OC
Compound: N-[2-(1-pyrrolidinyl)ethyl]-8-quinolinesulfonamide
SMILES: C1CCN(C1)CCNS(=O)(=O)C2=CC=CC3=C2N=CC=C3
Compound: 3-(anilinomethylidene)-1H-indol-2-one
SMILES: C1=CC=C(C=C1)NC=C2C3=CC=CC=C3NC2=O
Compound: 4-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoic acid 8-quinolinyl ester
SMILES: CC1CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OC4=CC=CC5=C4N=CC=C5
Compound: N2-tert-butyl-N6-ethyl-N4-propan-2-yl-1,3,5-triazine-2,4,6-triamine
SMILES: CCNC1=NC(=NC(=N1)NC(C)(C)C)NC(C)C
Compound: N-[5-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-1-naphthalenecarboxamide
SMILES: C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NN=C(S3)NC(=O)C4=CC=CC5=CC=CC=C54
Compound: 5-(2-anilino-4H-1,3,4-thiadiazin-5-ylidene)-2,4-dimethyl-3-pyrrolecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(C(=C2CSC(=NN2)NC3=CC=CC=C3)N=C1C)C
Compound: LSM-19663
SMILES: CCC1(CC2=CC=CC=C2C3=C1C(=O)N4CC(SC4=N3)C(=O)OCC)C
Compound: 2-[6-(cyclohexylamino)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol
SMILES: C1CCC(CC1)NC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O
Compound: 2-methoxy-6-[4-[2-(4-morpholinyl)ethylamino]-1H-quinazolin-2-ylidene]-1-cyclohexa-2,4-dienone
SMILES: COC1=CC=CC(=C2NC3=CC=CC=C3C(=N2)NCCN4CCOCC4)C1=O
Compound: N-[(2-methoxyanilino)-oxomethyl]benzamide
SMILES: COC1=CC=CC=C1NC(=O)NC(=O)C2=CC=CC=C2
Compound: 3-(1H-indol-3-yl)-1-phenylpyrrolidine-2,5-dione
SMILES: C1C(C(=O)N(C1=O)C2=CC=CC=C2)C3=CNC4=CC=CC=C43
Compound: 4-butyl-3-(5-propan-2-yl-3-thiophenyl)-1H-1,2,4-triazole-5-thione
SMILES: CCCCN1C(=NNC1=S)C2=CSC(=C2)C(C)C
Compound: N-[3-(2-methoxyphenyl)-1-methyl-4-oxo-2-quinolinyl]-2-methylpropanamide
SMILES: CC(C)C(=O)NC1=C(C(=O)C2=CC=CC=C2N1C)C3=CC=CC=C3OC
Compound: N-(2,6-dimethylphenyl)-2-[(6-methoxy-2-methyl-4-quinolinyl)thio]acetamide
SMILES: CC1=C(C(=CC=C1)C)NC(=O)CSC2=CC(=NC3=C2C=C(C=C3)OC)C
Compound: 5-[(4-methoxy-2-methylanilino)methylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILES: CC1=C(C=CC(=C1)OC)NC=C2C(=O)NC(=O)N(C2=O)CC=C
Compound: N-(5-chloro-2-methylphenyl)-4-[(4-chloro-1-pyrazolyl)methyl]benzamide
SMILES: CC1=C(C=C(C=C1)Cl)NC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)Cl
Compound: N-[4-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-2-furancarboxamide
SMILES: CC1=CC=CC=C1OCC2=NC(=NO2)C3=CC=C(C=C3)NC(=O)C4=CC=CO4
Compound: 6-[1-oxo-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]ethyl]-4H-1,4-benzoxazin-3-one
SMILES: C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=NN=C(N3CC4=CC=CC=C4)C5=CC=CS5
Compound: 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(2-methylpropylamino)purine-2,6-dione
SMILES: CC(C)CNC1=NC2=C(N1CC3=CC(=CC=C3)Br)C(=O)N(C(=O)N2C)C
Compound: N-cyclohexyl-2-(4-fluoro-N-[1-oxo-2-(3-thiophenyl)ethyl]anilino)-2-(4-fluorophenyl)acetamide
SMILES: C1CCC(CC1)NC(=O)C(C2=CC=C(C=C2)F)N(C3=CC=C(C=C3)F)C(=O)CC4=CSC=C4
Compound: 5-[[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester
SMILES: COC(=O)C1=CC(=CC(=C1)NC(=O)C2COC3=CC=CC=C3O2)C(=O)OC
Compound: N-(2-pyridinyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILES: C1CCC2=C(C1)C(=CS2)C(=O)NC3=CC=CC=N3
Compound: 4-(phenylmethyl)-3-(5-propyl-3-thiophenyl)-1H-1,2,4-triazole-5-thione
SMILES: CCCC1=CC(=CS1)C2=NNC(=S)N2CC3=CC=CC=C3
Compound: 3-amino-5-(4-bromophenyl)-4-pyridazinecarbonitrile
SMILES: C1=CC(=CC=C1C2=CN=NC(=C2C#N)N)Br
Compound: 2-amino-N-[3-methoxy-5-[oxo-[3-(trifluoromethyl)anilino]methyl]phenyl]-4-thiazolecarboxamide
SMILES: COC1=CC(=CC(=C1)NC(=O)C2=CSC(=N2)N)C(=O)NC3=CC=CC(=C3)C(F)(F)F
Compound: N-(2,5-difluorophenyl)-2-(1-pyrrolidinyl)acetamide
SMILES: C1CCN(C1)CC(=O)NC2=C(C=CC(=C2)F)F
Compound: N-(3,5-dichloro-2-pyridinyl)-2-methoxy-4-(methylthio)benzamide
SMILES: COC1=C(C=CC(=C1)SC)C(=O)NC2=C(C=C(C=N2)Cl)Cl
Compound: N-(1-adamantyl)-4-[oxo(2-oxolanyl)methyl]-1-piperazinecarboxamide
SMILES: C1CC(OC1)C(=O)N2CCN(CC2)C(=O)NC34CC5CC(C3)CC(C5)C4
Compound: 1-(3,4-dimethylphenyl)-3-(2-pyridinyl)thiourea
SMILES: CC1=C(C=C(C=C1)NC(=S)NC2=CC=CC=N2)C
Compound: 4-[3-(4-fluorophenyl)-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]-1-piperidinecarboxylic acid ethyl ester
SMILES: CCOC(=O)N1CCC(CC1)C2=CC(=O)N3C(=N2)C(=C(N3)C)C4=CC=C(C=C4)F
Compound: acetic acid [1-[(4,8-dimethoxy-7-furo[2,3-b]quinolinyl)oxy]-3-hydroxy-3-methylbutan-2-yl] ester
SMILES: CC(=O)OC(COC1=C(C2=C(C=C1)C(=C3C=COC3=N2)OC)OC)C(C)(C)O
Compound: N'-[2,6-bis(4-morpholinyl)-4-pyrimidinyl]-3,4-dichlorobenzohydrazide
SMILES: C1COCCN1C2=CC(=NC(=N2)N3CCOCC3)NNC(=O)C4=CC(=C(C=C4)Cl)Cl
Compound: 1-(3,4-dimethoxyphenyl)-3-(2-fluoro-5-methylphenyl)urea
SMILES: CC1=CC(=C(C=C1)F)NC(=O)NC2=CC(=C(C=C2)OC)OC
Compound: 2-phenyl-N-[1-(phenylmethyl)-4-piperidinyl]-4-quinazolinamine
SMILES: C1CN(CCC1NC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4)CC5=CC=CC=C5
Compound: (3R)-3-(4-chlorophenyl)-4-oxo-3-propan-2-yldiazetidine-1,2-dicarboxylic acid diethyl ester
SMILES: CCOC(=O)N1C(=O)[C@](N1C(=O)OCC)(C2=CC=C(C=C2)Cl)C(C)C
Compound: 2-(6-bromo-2-methyl-4-oxo-1-quinolinyl)-N-(2-methoxyphenyl)acetamide
SMILES: CC1=CC(=O)C2=C(N1CC(=O)NC3=CC=CC=C3OC)C=CC(=C2)Br
Compound: 3-[(1-methyl-5-tetrazolyl)thio]-1-phenylpyrrolidine-2,5-dione
SMILES: CN1C(=NN=N1)SC2CC(=O)N(C2=O)C3=CC=CC=C3
Compound: N-(4-chloro-2-methoxy-5-methylphenyl)-4-[(3,4-difluorophenyl)sulfonylamino]benzamide
SMILES: CC1=CC(=C(C=C1Cl)OC)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)F)F
Compound: LSM-19696
SMILES: COC1=CC(=C(C=C1)OC)C2=NC3=C(C(=C2)C(F)(F)F)C4=C(S3)C(=CC(=O)N4)O
Compound: 7-methoxy-2-oxo-1-benzopyran-3-carboxylic acid ethyl ester
SMILES: CCOC(=O)C1=CC2=C(C=C(C=C2)OC)OC1=O
Compound: N-(4-methoxyphenyl)-9-bicyclo[6.1.0]non-4-enecarboxamide
SMILES: COC1=CC=C(C=C1)NC(=O)C2C3C2CCC=CCC3
Compound: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetic acid methyl ester
SMILES: CCN1C(=NN=C1SCC(=O)OC)C2=CC=NC=C2
Compound: N-[(2,5-dimethoxyphenyl)methylideneamino]-5-[(4-nitro-1-pyrazolyl)methyl]-2-furancarboxamide
SMILES: COC1=CC(=C(C=C1)OC)C=NNC(=O)C2=CC=C(O2)CN3C=C(C=N3)[N+](=O)[O-]
Compound: 1,2,3,4-tetrahydroacridine-9-carboxylic acid [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] ester
SMILES: COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C3CCCCC3=NC4=CC=CC=C42)Cl
Compound: 1-methyl-N-(2-methylcyclohexyl)-4-oxo-6-(1-pyrrolidinylsulfonyl)-3-quinolinecarboxamide
SMILES: CC1CCCCC1NC(=O)C2=CN(C3=C(C2=O)C=C(C=C3)S(=O)(=O)N4CCCC4)C
Compound: 3-(3,4-dimethylphenyl)-1-(phenylmethyl)-4-pyrazolecarboxaldehyde
SMILES: CC1=C(C=C(C=C1)C2=NN(C=C2C=O)CC3=CC=CC=C3)C
Compound: 3-nitro-1H-quinolin-4-one
SMILES: C1=CC=C2C(=C1)C(=O)C(=CN2)[N+](=O)[O-]
Compound: 2-[4-(4-bromophenyl)sulfonyl-1-piperazinyl]-N-[(4-chloro-3-nitrophenyl)methylideneamino]acetamide
SMILES: C1CN(CCN1CC(=O)NN=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)Br
Compound: N-[[4-[(2-chloro-5-thiazolyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-pyridinecarboxamide
SMILES: COC1=C(C=CC(=C1)C=NNC(=O)C2=CC=NC=C2)OCC3=CN=C(S3)Cl
Compound: 1-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea
SMILES: CN(C)CCCN(CC1=CC2=C(C=CC(=C2)OC)NC1=O)C(=O)NC3=CC=C(C=C3)F
Compound: 2,6-dimethyl-4-(1-phenyl-4-pyrazolyl)furo[2,3-d]pyrimidine
SMILES: CC1=CC2=C(N=C(N=C2O1)C)C3=CN(N=C3)C4=CC=CC=C4
Compound: 2-chloro-3-(prop-2-enylamino)naphthalene-1,4-dione
SMILES: C=CCNC1=C(C(=O)C2=CC=CC=C2C1=O)Cl
Compound: 1-cyclohexyl-3-(2-phenylethyl)urea
SMILES: C1CCC(CC1)NC(=O)NCCC2=CC=CC=C2
Compound: 1-(tert-butylamino)-3-(4-methylphenyl)thiourea
SMILES: CC1=CC=C(C=C1)NC(=S)NNC(C)(C)C
Compound: 2-methoxy-N-[(4-methylphenyl)methyl]-2-phenylacetamide
SMILES: CC1=CC=C(C=C1)CNC(=O)C(C2=CC=CC=C2)OC
Compound: 1-naphthalenecarboxylic acid [[phenyl(2-pyridinyl)methylidene]amino] ester
SMILES: C1=CC=C(C=C1)C(=NOC(=O)C2=CC=CC3=CC=CC=C32)C4=CC=CC=N4
Compound: 5-(4-ethoxyphenyl)-1,3-diphenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione
SMILES: CCOC1=CC=C(C=C1)N2C(=O)C3C(C2=O)N(N=C3C4=CC=CC=C4)C5=CC=CC=C5
Compound: N-[(2-hydroxy-1-naphthalenyl)-(4-methylphenyl)methyl]cyclohexanecarboxamide
SMILES: CC1=CC=C(C=C1)C(C2=C(C=CC3=CC=CC=C32)O)NC(=O)C4CCCCC4
Compound: 1-[4-(3-chlorophenyl)-1-piperazinyl]-2-phenyl-1-butanone
SMILES: CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl
Compound: N-[5-[[2-(4-methylanilino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-2-(4-morpholinyl)acetamide
SMILES: CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)CN3CCOCC3
Compound: 2-(2,3-dimethylphenoxy)-N-pyridin-4-ylacetamide
SMILES: CC1=C(C(=CC=C1)OCC(=O)NC2=CC=NC=C2)C
Compound: LSM-19719
SMILES: CC1=NN2C=NC3=C(C2=N1)C=NN3C4=CC=CC=C4
Compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-nitrophenyl)acetamide
SMILES: C1COC2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3[N+](=O)[O-]
Compound: 2-[[4-(2-methoxyphenyl)sulfonyl-1-piperazinyl]sulfonyl]benzonitrile
SMILES: COC1=CC=CC=C1S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N
Compound: 4-[2-(1-cyclohexenyl)ethyl]-1-cyclohexyl-3-pyridin-4-ylpiperazine-2,5-dione
SMILES: C1CCC(CC1)N2CC(=O)N(C(C2=O)C3=CC=NC=C3)CCC4=CCCCC4
Compound: 2-(4-acetyl-1-piperazinyl)-6-amino-4-(cyanomethyl)pyridine-3,5-dicarbonitrile
SMILES: CC(=O)N1CCN(CC1)C2=NC(=C(C(=C2C#N)CC#N)C#N)N
Compound: LSM-19724
SMILES: C1=CC2=C3C(=C1)N(S(=O)(=O)C3=CC=C2)CC4=CC=C(C=C4)C5=NN=CO5
Compound: 2-methyl-5-(3-thiophenyl)-3,5-dihydropyrazolo[1,5-c]quinazoline
SMILES: CC1=CC2=C3C=CC=CC3=NC(N2N1)C4=CSC=C4
Compound: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]acetamide
SMILES: CC1=NN=C(S1)SCC(=O)NC2=CC3=C(C=C2C(=O)C)OCO3
Compound: 2-[[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1,3-benzothiazole
SMILES: CC1=NN=C(N1C2=CC=CC=C2)SCC3=NC4=CC=CC=C4S3
Compound: 1-(4-fluorophenyl)-1-cyclopentanecarboxylic acid [2-oxo-2-(4-sulfamoylanilino)ethyl] ester
SMILES: C1CCC(C1)(C2=CC=C(C=C2)F)C(=O)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N
Compound: 5-[[3-methyl-1-(4-methylphenyl)-5-oxo-4-pyrazolylidene]methylamino]-1,3-dihydrobenzimidazol-2-one
SMILES: CC1=CC=C(C=C1)N2C(=O)C(=CNC3=CC4=C(C=C3)NC(=O)N4)C(=N2)C
Compound: 3-methyl-N-[[4-[(4-methyl-2-pyridinyl)amino]-4-oxobutan-2-ylidene]amino]benzamide
SMILES: CC1=CC(=NC=C1)NC(=O)CC(=NNC(=O)C2=CC(=CC=C2)C)C
Compound: 2-benzoyl-N-(6-methoxy-3-pyridinyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILES: COC1=NC=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2C(=O)C4=CC=CC=C4
Compound: (3aR,4S,9aR,9bS)-N,2-bis(4-chlorophenyl)-1,3-dioxo-3a,4,9a,9b-tetrahydropyrrolo[1,2]pyrrolo[3,5-b]pyridazine-4-carboxamide
SMILES: C1=C[C@@H]2[C@@H]3[C@H]([C@H](N2N=C1)C(=O)NC4=CC=C(C=C4)Cl)C(=O)N(C3=O)C5=CC=C(C=C5)Cl
Compound: 2-[(7-chloro-4-quinazolinyl)oxy]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
SMILES: C1COC2=C(O1)C=CC(=C2)C(=O)COC3=NC=NC4=C3C=CC(=C4)Cl
Compound: N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[4-(5-fluoro-1-benzotriazolyl)-1-piperidinyl]acetamide
SMILES: C1CN(CCC1N2C3=C(C=C(C=C3)F)N=N2)CC(=O)NCCC4=NC5=CC=CC=C5N4
Compound: 6-[4-oxo-2-[(4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-3-thieno[3,2-d]pyrimidinyl]hexanoic acid
SMILES: C1=CC2=NC(=CC(=O)N2C=C1)CSC3=NC4=C(C(=O)N3CCCCCC(=O)O)SC=C4
Compound: 2',3,4,4',6'-pentahydroxychalcone
SMILES: [H]C(=C([H])C(=O)c1c(O)cc(O)cc1O)c1ccc(O)c(O)c1
Compound: N-[2-[1-methyl-5-[[(4-methylphenyl)-oxomethyl]amino]-2-benzimidazolyl]ethyl]-2-furancarboxamide
SMILES: CC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N(C(=N3)CCNC(=O)C4=CC=CO4)C
Compound: 1-(1,3-benzodioxol-5-yl)-3-(5-tert-butyl-2-methoxyphenyl)urea
SMILES: CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)NC2=CC3=C(C=C2)OCO3
Compound: N-[(1-methyl-2-pyrrolyl)methylideneamino]-2-thiophen-2-yl-4-quinolinecarboxamide
SMILES: CN1C=CC=C1C=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4
Compound: 3-(4-bromoanilino)-1-(3-nitrophenyl)-1-propanone
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CCNC2=CC=C(C=C2)Br
Compound: 6-(4-ethoxy-1H-quinazolin-2-ylidene)-1-cyclohexa-2,4-dienone
SMILES: CCOC1=NC(=C2C=CC=CC2=O)NC3=CC=CC=C31
Compound: N-[3-[(4-ethoxyphenyl)-[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-4,5-dimethyl-2-thiophenyl]benzamide
SMILES: CCOC1=CC=C(C=C1)C(C2=C(SC(=C2C)C)NC(=O)C3=CC=CC=C3)N4CCN(CC4)CCO
Compound: (2S)-2-[[[1-[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-1-oxobutyl]-4-piperidinyl]-oxomethyl]amino]-2-phenylacetic acid
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)N2CCC(CC2)C(=O)N[C@@H](C3=CC=CC=C3)C(=O)O
Compound: 6-amino-1,3-dimethyl-5-[(3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolyl)-oxomethyl]pyrimidine-2,4-dione
SMILES: CC1=NN(C2=C1C=C(S2)C(=O)C3=C(N(C(=O)N(C3=O)C)C)N)C4=CC=CC=C4
Compound: 2-(methylthio)-6-(phenylmethyl)-1H-pyrimidin-4-one
SMILES: CSC1=NC(=O)C=C(N1)CC2=CC=CC=C2
Compound: N-[[5-(4-morpholinyl)-2-furanyl]methylideneamino]-3-(trifluoromethyl)benzamide
SMILES: C1COCCN1C2=CC=C(O2)C=NNC(=O)C3=CC(=CC=C3)C(F)(F)F
Compound: 1-[amino-[(4,6-dimethyl-2-quinazolinyl)amino]methylidene]-3-(2-ethylphenyl)thiourea
SMILES: CCC1=CC=CC=C1NC(=S)N=C(N)NC2=NC3=C(C=C(C=C3)C)C(=N2)C
Compound: N-(3-chlorophenyl)-5-oxo-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide
SMILES: C1CN(C2(N1C(=O)C3=CC=CC=C32)C4=CC=CC=C4)C(=O)NC5=CC(=CC=C5)Cl
Compound: N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-ethylphenyl)-2-thiophenecarboxamide
SMILES: CCC1=CC=CC=C1N(C2CS(=O)(=O)C=C2)C(=O)C3=CC=CS3
Compound: 2-oxo-3-benzo[h][1]benzopyrancarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=CC2=C(C3=CC=CC=C3C=C2)OC1=O
Compound: 2-[[cyclopentyl(oxo)methyl]amino]benzoic acid methyl ester
SMILES: COC(=O)C1=CC=CC=C1NC(=O)C2CCCC2
Compound: 2-[[1-oxo-2-(1-thiophen-2-ylethylideneamino)oxyethyl]amino]benzoic acid
SMILES: CC(=NOCC(=O)NC1=CC=CC=C1C(=O)O)C2=CC=CS2
Compound: 7-(4-chlorophenyl)-5-(4-ethylphenyl)-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILES: CCC1=CC=C(C=C1)C2CC(N3C(=N2)N=C(N3)N)C4=CC=C(C=C4)Cl
Compound: 6,7-dimethoxy-2-[[methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]methyl]-1H-quinazolin-4-one
SMILES: CN(CC1=NC(=O)C2=CC=CC=C2N1)CC3=NC(=O)C4=CC(=C(C=C4N3)OC)OC
Compound: 5-(2,4-dichlorophenyl)-4,6-dioxo-3a,6a-dihydro-2H-pyrrolo[3,4-d]isoxazole-3,3-dicarboxylic acid dimethyl ester
SMILES: COC(=O)C1(C2C(C(=O)N(C2=O)C3=C(C=C(C=C3)Cl)Cl)ON1)C(=O)OC
Compound: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-ethyl-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
SMILES: CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CN3C(CC4=CC=CC=C43)C
Compound: 3-(3-bromophenyl)-2-(4-fluorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILES: C1CC2C(=O)N(C(N2C1)C3=CC(=CC=C3)Br)C4=CC=C(C=C4)F
Compound: 2-(2,4-dichlorophenoxy)-N-(3-pyridinyl)acetamide
SMILES: C1=CC(=CN=C1)NC(=O)COC2=C(C=C(C=C2)Cl)Cl
Compound: 2-(2,6-dimethylphenoxy)-N-[2-(1-piperidinyl)phenyl]acetamide
SMILES: CC1=C(C(=CC=C1)C)OCC(=O)NC2=CC=CC=C2N3CCCCC3
Compound: 1-methyl-4-[[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]thio]-2-quinolinone
SMILES: CN1C2=CC=CC=C2C(=CC1=O)SCC(=O)N3CCN(CC3)C4=CC=CC=N4
Compound: 1-(4-chloro-3-methoxyphenyl)sulfonylazepane
SMILES: COC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)Cl
Compound: 3-[1-(3-methoxypropyl)-5-thiophen-2-yl-2-pyrrolyl]propanoic acid
SMILES: COCCCN1C(=CC=C1C2=CC=CS2)CCC(=O)O
Compound: N-[[4-(dimethylamino)phenyl]methyl]-2-[methyl(8-quinolinylsulfonyl)amino]acetamide
SMILES: CN(C)C1=CC=C(C=C1)CNC(=O)CN(C)S(=O)(=O)C2=CC=CC3=C2N=CC=C3
Compound: 1-ethyl-3-[[[2-(2-methylpropyl)-4-quinolinyl]-oxomethyl]amino]thiourea
SMILES: CCNC(=S)NNC(=O)C1=CC(=NC2=CC=CC=C21)CC(C)C
Compound: 6,7-dimethoxy-2-[(1H-1,2,4-triazol-5-ylthio)methyl]-1H-quinazolin-4-one
SMILES: COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSC3=NC=NN3)OC
Compound: LSM-19765
SMILES: CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)C2=CC3=C(S2)N=C4C=CC=CN4C3=O
Compound: 1-[2-furanyl(oxo)methyl]-6-(1-pyrrolidinylsulfonyl)-2-benzo[cd]indolone
SMILES: C1CCN(C1)S(=O)(=O)C2=C3C=CC=C4C3=C(C=C2)N(C4=O)C(=O)C5=CC=CO5
Compound: 2-[[(3-methylphenyl)-oxomethyl]amino]benzoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester
SMILES: CC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)OCC3=C(ON=C3C)C
Compound: 2-[(2,5-dimethyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]acetonitrile
SMILES: CC1=NC2=C(C(=NN2C(=C1)SCC#N)C)C3=CC=CC=C3
Compound: 5-chloro-N-(2-furanylmethyl)-2-[[(4-methoxyphenyl)-oxomethyl]amino]benzamide
SMILES: COC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)Cl)C(=O)NCC3=CC=CO3
Compound: 3-(5-butyl-2-thiophenyl)-2-cyano-2-propenethioamide
SMILES: CCCCC1=CC=C(S1)C=C(C#N)C(=S)N
Compound: 6-amino-4-[3-ethoxy-4-[2-(4-morpholinyl)ethoxy]phenyl]-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILES: CCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=C(C=C3)OCCN4CCOCC4)OCC
Compound: 3-(4-fluorophenyl)-6-[2-oxo-2-(1-pyrrolidinyl)ethyl]-7-triazolo[4,5-d]pyrimidinone
SMILES: C1CCN(C1)C(=O)CN2C=NC3=C(C2=O)N=NN3C4=CC=C(C=C4)F
Compound: 1-(2-methoxyphenyl)-4-(3-thiophenylmethyl)piperazine
SMILES: COC1=CC=CC=C1N2CCN(CC2)CC3=CSC=C3
Compound: 1-(4-chlorophenyl)sulfonyl-N'-[oxo-[4-(1-piperidinylsulfonyl)phenyl]methyl]-4-piperidinecarbohydrazide
SMILES: C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl
Compound: 4-tert-butyl-N-[4-(4-morpholinyl)phenyl]benzamide
SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCOCC3
Compound: LSM-19776
SMILES: CC12CCC(=O)N1C3=C(C(=O)N2)SC4=NC(=C5CCCCC5=C34)N6CCOCC6
Compound: 1-cyclohexyl-5-[1-[[2-(3-pyridinyl)-1-piperidinyl]amino]ethylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
SMILES: CC(=C1C(=O)NC(=S)N(C1=O)C2CCCCC2)NN3CCCCC3C4=CN=CC=C4
Compound: N-cycloheptyl-1-hydroxy-3-oxo-2-propyl-1H-isoindole-5-carboxamide
SMILES: CCCN1C(C2=C(C1=O)C=C(C=C2)C(=O)NC3CCCCCC3)O
Compound: 6-[1-azepanyl(mercapto)methylidene]-1-cyclohexa-2,4-dienone
SMILES: C1CCCN(CC1)C(=C2C=CC=CC2=O)S
Compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-dibenzofuransulfonamide
SMILES: C1COC2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC4=C(C=C3)OC5=CC=CC=C54
Compound: 6-hydroxy-7-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-2-[3-(2-methoxyphenyl)prop-2-enylidene]-3-benzofuranone
SMILES: COC1=CC=CC=C1C=CC=C2C(=O)C3=C(O2)C(=C(C=C3)O)CN4CCN(CC4)CCO
Compound: [4-(4-bromo-2-chlorophenyl)sulfonyl-1-piperazinyl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone
SMILES: C1CN(CCN1C(=O)C2=CC=CNC2=S)S(=O)(=O)C3=C(C=C(C=C3)Br)Cl
Compound: 1-(2-methoxyethyl)-3-[1-(2,3,4-trichlorophenyl)ethylideneamino]thiourea
SMILES: CC(=NNC(=S)NCCOC)C1=C(C(=C(C=C1)Cl)Cl)Cl
Compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[1-(4-methylphenyl)ethylideneamino]-4-triazolecarboxamide
SMILES: CC1=CC=C(C=C1)C(=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC5=C(C=C4)OCO5)C
Compound: N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-5-thiadiazolecarboxamide
SMILES: CC1=C(SN=N1)C(=O)NC2CCCC3=C2C=NN3C4=CC=C(C=C4)C(C)(C)C
Compound: 5-[(2-chlorophenyl)methylamino]-2-(3,4-dimethoxyphenyl)-4-oxazolecarbonitrile
SMILES: COC1=C(C=C(C=C1)C2=NC(=C(O2)NCC3=CC=CC=C3Cl)C#N)OC
Compound: N',2-dimethyl-N'-[3-(trifluoromethyl)-2-quinoxalinyl]benzohydrazide
SMILES: CC1=CC=CC=C1C(=O)NN(C)C2=NC3=CC=CC=C3N=C2C(F)(F)F
Compound: 6-tert-butyl-N-(2-pyridinylmethylideneamino)-2,3-dihydro-1,4-benzodioxin-3-carboxamide
SMILES: CC(C)(C)C1=CC2=C(C=C1)OCC(O2)C(=O)NN=CC3=CC=CC=N3
Compound: N-[2-(2-chlorophenoxy)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide
SMILES: C1=CC=C2C(=C1)C(=CN2)C(=O)C(=O)NCCOC3=CC=CC=C3Cl
Compound: 2-(4-methoxyphenyl)-5-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]-6-pyrazolo[1,5-a]pyrimidinecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=CN2C(=CC(=N2)C3=CC=C(C=C3)OC)N=C1C4CCN(CC4)C(=O)OC(C)(C)C
Compound: 3-[[1-oxo-2-(1-piperidinyl)ethyl]amino]-1H-indole-2-carboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)CN3CCCCC3
Compound: 4-chloro-N-(2-methoxy-1-phenazinyl)benzamide
SMILES: COC1=C(C2=NC3=CC=CC=C3N=C2C=C1)NC(=O)C4=CC=C(C=C4)Cl
Compound: 2-(benzenesulfonamido)acetic acid [2-(4-nitrophenyl)-2-oxoethyl] ester
SMILES: C1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
Compound: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]benzamide
SMILES: C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)CN4CCC5=CC=CC=C5C4
Compound: 3-(4-fluoroanilino)-1-(3-nitrophenyl)-1-propanone
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CCNC2=CC=C(C=C2)F
Compound: 3-bromo-7-hydroxy-4,8-dimethyl-1-benzopyran-2-one
SMILES: CC1=C(C(=O)OC2=C1C=CC(=C2C)O)Br
Compound: 5-(1,3-benzodioxol-5-ylsulfamoyl)-2-methoxybenzoic acid
SMILES: COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCO3)C(=O)O
Compound: 2-[[4-(1,3-dioxo-2-isoindolyl)-1-oxobutyl]amino]-N-(2-furanylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILES: C1CC2=C(C1)SC(=C2C(=O)NCC3=CC=CO3)NC(=O)CCCN4C(=O)C5=CC=CC=C5C4=O
Compound: 3,7-dimethyl-1-(phenylmethyl)-8-[(phenylmethyl)amino]purine-2,6-dione
SMILES: CN1C2=C(N=C1NCC3=CC=CC=C3)N(C(=O)N(C2=O)CC4=CC=CC=C4)C
Compound: 7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-N-(2-oxo-3-thiolanyl)-6,8-dihydroquinoline-3-carboxamide
SMILES: CC1=CC=C(C=C1)N2C3=C(C=C(C2=O)C(=O)NC4CCSC4=O)C(=O)CC(C3)(C)C