MonarchInit/C3PO huggingface dataset:
Compound: 1-(2,1,3-benzothiadiazol-5-yl)-3-[4-(4-morpholinyl)phenyl]urea
SMILES: C1COCCN1C2=CC=C(C=C2)NC(=O)NC3=CC4=NSN=C4C=C3
Compound: 2-[(4,6-dioxo-5-phenyl-1H-pyrimidin-2-yl)thio]-N-(4-sulfamoylphenyl)acetamide
SMILES: C1=CC=C(C=C1)C2C(=O)NC(=NC2=O)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N
Compound: 1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-(2,5-dimethylphenyl)-1-(3-pyridinylmethyl)thiourea
SMILES: CC1=CC(=C(C=C1)C)NC(=S)N(CCC2=NC3=C(N2)C=C(C(=C3)C)C)CC4=CN=CC=C4
Compound: 2-(3-carboxy-2-pyridinyl)-3-pyridinecarboxylic acid
SMILES: C1=CC(=C(N=C1)C2=C(C=CC=N2)C(=O)O)C(=O)O
Compound: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxy-3-(4-morpholinylsulfonyl)benzamide
SMILES: CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCOCC4
Compound: 3-[[oxo-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methoxy]methyl]benzoic acid ethyl ester
SMILES: CCOC(=O)C1=CC(=CC=C1)COC(=O)C2=CC=CC(=C2)C3=NN=C(O3)C4=CC=CC=C4
Compound: N'-[2-(4-methylphenoxy)-1-oxoethyl]-2-benzofurancarbohydrazide
SMILES: CC1=CC=C(C=C1)OCC(=O)NNC(=O)C2=CC3=CC=CC=C3O2
Compound: 1-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-methyl-1-propanone
SMILES: CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C(C)C)C
Compound: 2-(3-pyridinyl)-4-[4-(1-pyrrolidinylsulfonyl)phenyl]thiazole
SMILES: C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)C4=CN=CC=C4
Compound: 1-(4-fluorophenyl)-2-[(2-propyl-4-quinazolinyl)thio]ethanone
SMILES: CCCC1=NC2=CC=CC=C2C(=N1)SCC(=O)C3=CC=C(C=C3)F
Compound: 4-[[[4-(2-furanylmethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile
SMILES: C1=COC(=C1)CN2C(=NN=C2SCC3=CC=C(C=C3)C#N)CC4=CC=CS4
Compound: 4-[5-(4-ethoxyphenyl)-3-isoxazolyl]-N-(3-methoxyphenyl)butanamide
SMILES: CCOC1=CC=C(C=C1)C2=CC(=NO2)CCCC(=O)NC3=CC(=CC=C3)OC
Compound: 6-amino-4-(3-furanyl)-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILES: COC1=CC=C(C=C1)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=COC=C4
Compound: N-(3-pyridinylmethyl)-1,3-benzodioxol-5-amine
SMILES: C1OC2=C(O1)C=C(C=C2)NCC3=CN=CC=C3
Compound: 4-nitro-3-(1H-pyrazol-4-yl)-5-(4-pyrazolylidene)-1,2-dihydropyrazole
SMILES: C1=C(C=NN1)C2=C(C(=C3C=NN=C3)NN2)[N+](=O)[O-]
Compound: 4-[(3-methyl-5-nitro-4-imidazolyl)amino]phenol
SMILES: CN1C=NC(=C1NC2=CC=C(C=C2)O)[N+](=O)[O-]
Compound: N'-[4-(3-methoxyphenyl)-2-thiazolyl]-2-thiophenecarbohydrazide
SMILES: COC1=CC=CC(=C1)C2=CSC(=N2)NNC(=O)C3=CC=CS3
Compound: N-[3-(1-azepanylsulfonyl)phenyl]-4-oxo-1-benzopyran-2-carboxamide
SMILES: C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC(=O)C4=CC=CC=C4O3
Compound: 4-chloro-N-[[(1-oxo-3-phenylpropyl)hydrazo]-sulfanylidenemethyl]benzamide
SMILES: C1=CC=C(C=C1)CCC(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)Cl
Compound: 5-(2-furanyl)-N-(4-methylphenyl)-3-isoxazolecarboxamide
SMILES: CC1=CC=C(C=C1)NC(=O)C2=NOC(=C2)C3=CC=CO3
Compound: N-(4-methylphenyl)-2-(pyridin-4-yl)quinazolin-4-amine
SMILES: N(C1=NC(=NC2=CC=CC=C21)C3=CC=NC=C3)C=4C=CC(=CC4)C
Compound: 2-(1,3-benzothiazol-2-ylmethylthio)-1-butyl-5-benzimidazolesulfonamide
SMILES: CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=NC4=CC=CC=C4S3
Compound: 5-(2-aminophenyl)-N-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine
SMILES: CC1=C(C=C(C=C1)NC2=NN=C(O2)C3=CC=CC=C3N)C
Compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methyl-4-oxo-1-phthalazinyl)acetamide
SMILES: CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NC3=CC4=C(C=C3)OCCO4
Compound: 1-[2-hydroxy-3-[4-(2-methylbutan-2-yl)phenoxy]propyl]-4-piperidinecarboxylic acid ethyl ester
SMILES: CCC(C)(C)C1=CC=C(C=C1)OCC(CN2CCC(CC2)C(=O)OCC)O
Compound: LSM-19143
SMILES: CCOC(=O)CSC1=C(C(C2C(=N1)CCCC2=O)C3=CC=C(C=C3)C)C#N
Compound: 4-(dimethylamino)benzoic acid (phenylmethyl) ester
SMILES: CN(C)C1=CC=C(C=C1)C(=O)OCC2=CC=CC=C2
Compound: 1-(4-ethylphenyl)-2-methyl-N-(3-pyridinylmethyl)-5-benzimidazolecarboxamide
SMILES: CCC1=CC=C(C=C1)N2C(=NC3=C2C=CC(=C3)C(=O)NCC4=CN=CC=C4)C
Compound: N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propyl-2-pyridinecarboxamide
SMILES: CCCN(CC1=CC2=C(C=C(C=C2)C)NC1=O)C(=O)C3=CC=CC=N3
Compound: 1-methylsulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-2,3-dihydroindole-5-sulfonamide
SMILES: CS(=O)(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NC3=CC4=C(C=C3)OC5=C4CCCC5
Compound: 6-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid methyl ester
SMILES: CC1=C(C(=O)N2C(=N1)C(=CN2)C(=O)OC)CC3=C(C=C(C=C3)F)Cl
Compound: 5-(4-morpholinylsulfonyl)-N-[4-(trifluoromethoxy)phenyl]-2-furancarboxamide
SMILES: C1COCCN1S(=O)(=O)C2=CC=C(O2)C(=O)NC3=CC=C(C=C3)OC(F)(F)F
Compound: 4,7-dimethoxy-2,3-dimethyl-1H-indole
SMILES: CC1=C(NC2=C(C=CC(=C12)OC)OC)C
Compound: 3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxylic acid [2-(butylamino)-2-oxoethyl] ester
SMILES: CCCCNC(=O)COC(=O)C1=CC2=C(S1)N(N=C2C)C3=CC=CC=C3
Compound: N-(4-methoxyphenyl)-5-(phenoxymethyl)-2-furancarboxamide
SMILES: COC1=CC=C(C=C1)NC(=O)C2=CC=C(O2)COC3=CC=CC=C3
Compound: 1-(1,3-benzodioxol-5-yl)-N-(1-prop-2-enyl-2-benzimidazolyl)methanimine
SMILES: C=CCN1C2=CC=CC=C2N=C1N=CC3=CC4=C(C=C3)OCO4
Compound: N-(4-chlorophenyl)-2-[[4-methyl-5-[4-methyl-2-(5-methyl-3-isoxazolyl)-5-thiazolyl]-1,2,4-triazol-3-yl]thio]acetamide
SMILES: CC1=CC(=NO1)C2=NC(=C(S2)C3=NN=C(N3C)SCC(=O)NC4=CC=C(C=C4)Cl)C
Compound: 1-(1-adamantyl)imidazole
SMILES: C1C2CC3(CC1CC(C3)C2)N4C=CN=C4
Compound: 2-(1-ethyl-4-oxo-3-furo[3,4]pyrrolo[3,5-c][1,2,4]triazinyl)-N-[4-(2-furanyl)butan-2-yl]propanamide
SMILES: CCC1=NN(C(=O)C2=CC3=C(N21)C=CO3)C(C)C(=O)NC(C)CCC4=CC=CO4
Compound: 2-hydroxy-5-[[(5-methyl-2-furanyl)-oxomethyl]amino]benzoic acid
SMILES: CC1=CC=C(O1)C(=O)NC2=CC(=C(C=C2)O)C(=O)O
Compound: N-(2-chlorophenyl)-5-nitro-2-furancarboxamide
SMILES: C1=CC=C(C(=C1)NC(=O)C2=CC=C(O2)[N+](=O)[O-])Cl
Compound: 4-[[2-[2-(4-morpholinyl)-2-oxoethoxy]phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione
SMILES: C1COCCN1C(=O)COC2=CC=CC=C2C=C3C(=O)NN(C3=O)C4=CC=CC=C4
Compound: N-(1,1-dioxo-3-thiolanyl)-N-methyl-2-[[1-(2-phenylethyl)-2-benzimidazolyl]thio]acetamide
SMILES: CN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC3=CC=CC=C3N2CCC4=CC=CC=C4
Compound: N-cyclohexyl-2-[[5-[(4-methoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetamide
SMILES: CN1C(=NN=C1SCC(=O)NC2CCCCC2)CC3=CC=C(C=C3)OC
Compound: 5-[[1-oxo-3-(3-oxo-4H-quinoxalin-2-yl)propoxy]methyl]-2-furancarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=CC=C(O1)COC(=O)CCC2=NC3=CC=CC=C3NC2=O
Compound: N-[4-(diethylamino)phenyl]-2-furancarboxamide
SMILES: CCN(CC)C1=CC=C(C=C1)NC(=O)C2=CC=CO2
Compound: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[4-(4-hydroxyphenyl)-1-piperazinyl]acetamide
SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CN3CCN(CC3)C4=CC=C(C=C4)O
Compound: 2-(1H-benzimidazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)-6-methylsulfanyl-3-oxohexanenitrile
SMILES: CSCCC(C(=O)C(C#N)C1=NC2=CC=CC=C2N1)N3C(=O)C4=CC=CC=C4C3=O
Compound: 5-(2-furanyl)-2-[(2-phenylanilino)methylidene]cyclohexane-1,3-dione
SMILES: C1C(CC(=O)/C(=C\NC2=CC=CC=C2C3=CC=CC=C3)/C1=O)C4=CC=CO4
Compound: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[[1-(2-methylpropyl)-2-benzimidazolyl]thio]ethanone
SMILES: CC(C)CN1C2=CC=CC=C2N=C1SCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4
Compound: 2-[5-[[3-[4-(2-methylpropoxy)phenyl]-1-phenyl-4-pyrazolyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]acetic acid
SMILES: CC(C)COC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC(=O)O)C4=CC=CC=C4
Compound: 1-[2-(1-oxo-2-thiophen-2-ylethoxy)ethyl]-5-[(1-oxo-2-thiophen-2-ylethyl)amino]-4-pyrazolecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(N(N=C1)CCOC(=O)CC2=CC=CS2)NC(=O)CC3=CC=CS3
Compound: 1-[(4-chlorophenyl)methyl]-3-(2-nitroethenyl)indole
SMILES: C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Cl)C=C[N+](=O)[O-]
Compound: N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILES: CC1=CC(=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=CC4=C(C=C3)SCC(=O)N4)C)C
Compound: 2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]thio]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]acetamide
SMILES: C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=C(C=C3)C4=NC5=CC=CC=C5N4
Compound: 4-[ethyl-(phenylmethyl)sulfamoyl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
SMILES: CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(O3)C
Compound: 2-[[(2,3-dimethoxyphenyl)-oxomethyl]amino]-5-propan-2-yl-3-thiophenecarboxamide
SMILES: CC(C)C1=CC(=C(S1)NC(=O)C2=C(C(=CC=C2)OC)OC)C(=O)N
Compound: (5S)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-phenyl-4,5-dihydroimidazol-2-amine
SMILES: C1[C@@H](N(C(=N1)N)CCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=CC=C3
Compound: 3-(1-benzotriazolylmethyl)-6-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILES: C1=CC=C2C(=C1)N=NN2CC3=NN=C4N3N=C(S4)C5=CC=CS5
Compound: 5-bromo-N-[4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-furancarboxamide
SMILES: CC1=CC=CC=C1C2=NC(=NO2)C3=CC=C(C=C3)NC(=O)C4=CC=C(O4)Br
Compound: 2-[(3,4,8-trimethyl-2-oxo-1-benzopyran-7-yl)oxy]acetic acid prop-2-enyl ester
SMILES: CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC(=O)OCC=C)C
Compound: 3-[2-(4-fluorophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid ethyl ester
SMILES: CCOC(=O)CCC1=C(N=C2C=C(NN2C1=O)C3=CC=C(C=C3)F)C
Compound: N-tert-butyl-2-[[4-(4-fluorophenyl)-2-thiazolyl]thio]acetamide
SMILES: CC(C)(C)NC(=O)CSC1=NC(=CS1)C2=CC=C(C=C2)F
Compound: 2-(4-fluorophenyl)-4-(4-methoxyanilino)-1-(4-methoxyphenyl)-2H-pyrrol-5-one
SMILES: COC1=CC=C(C=C1)NC2=CC(N(C2=O)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)F
Compound: 4-[2-benzofuranyl(oxo)methyl]-1-[2-(4-morpholinyl)ethyl]-5-(3-pyridinyl)pyrrolidine-2,3-dione
SMILES: C1COCCN1CCN2C(C(C(=O)C2=O)C(=O)C3=CC4=CC=CC=C4O3)C5=CN=CC=C5
Compound: [4-(diphenylmethyl)-1-piperazinyl]-[5-thiophen-2-yl-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinyl]methanone
SMILES: C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=C5N=C(C=C(N5N=C4)C(F)(F)F)C6=CC=CS6
Compound: 5-phenyl-2-[([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)methyl]oxazole
SMILES: C1=CC=C(C=C1)C2=CN=C(O2)CSC3=NN=C4N3C=CC=C4
Compound: bis(1-ethenyl-2-imidazolyl)-(9-ethyl-3-carbazolyl)-sulfanylidenephosphorane
SMILES: CCN1C2=C(C=C(C=C2)P(=S)(C3=NC=CN3C=C)C4=NC=CN4C=C)C5=CC=CC=C51
Compound: 1H-indazole-3-carboxylic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCOC(=O)C3=NNC4=CC=CC=C43
Compound: 3-[[(3-methoxyanilino)-oxomethyl]amino]benzoic acid
SMILES: COC1=CC=CC(=C1)NC(=O)NC2=CC=CC(=C2)C(=O)O
Compound: 3-chloro-N-[3-[[(3-chloro-4-nitrophenyl)-oxomethyl]amino]-2,2-dimethylpropyl]-4-nitrobenzamide
SMILES: CC(C)(CNC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])Cl)CNC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])Cl
Compound: 3-(3-chlorophenyl)-2-propenoic acid (6-chloro-2-imidazo[1,2-a]pyridinyl)methyl ester
SMILES: C1=CC(=CC(=C1)Cl)C=CC(=O)OCC2=CN3C=C(C=CC3=N2)Cl
Compound: 5-methyl-4-[(2-oxo-1-benzopyran-7-yl)oxymethyl]-2-furancarboxylic acid methyl ester
SMILES: CC1=C(C=C(O1)C(=O)OC)COC2=CC3=C(C=C2)C=CC(=O)O3
Compound: N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-pyrazinecarboxamide
SMILES: CN1C2=CC=CC=C2SC1=NC(=O)C3=NC=CN=C3
Compound: 3-(3-bromoanilino)-1-(5-methyl-2-furanyl)-1-propanone
SMILES: CC1=CC=C(O1)C(=O)CCNC2=CC(=CC=C2)Br
Compound: 1-(1-oxo-2-phenylethyl)-4-piperidinecarboxylic acid
SMILES: C1CN(CCC1C(=O)O)C(=O)CC2=CC=CC=C2
Compound: N-(4-benzamido-2-chlorophenyl)-2-furancarboxamide
SMILES: C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)NC(=O)C3=CC=CO3)Cl
Compound: 2-[2-(2,4-dichloro-5-propan-2-yloxyanilino)-2-oxoethyl]sulfinyl-N-[3-(trifluoromethyl)phenyl]acetamide
SMILES: CC(C)OC1=C(C=C(C(=C1)NC(=O)CS(=O)CC(=O)NC2=CC=CC(=C2)C(F)(F)F)Cl)Cl
Compound: 2-(2,4-dichlorophenyl)-3,5-dihydro-1H-pyrazolo[3,4-d]triazol-6-amine
SMILES: C1=CC(=C(C=C1Cl)Cl)N2NC3=C(NN=C3N2)N
Compound: (S)-(-)-perillyl alcohol
SMILES: CC(=C)[C@H]1CCC(CO)=CC1
Compound: 6-(4-benzoyl-1-piperazinyl)-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILES: CC(C)C1=C2COC(CC2=C(C(=N1)N3CCN(CC3)C(=O)C4=CC=CC=C4)C#N)(C)C
Compound: [3-amino-4-(methoxymethyl)-6-methyl-2-thieno[2,3-b]pyridinyl]-(4-phenyl-1-piperazinyl)methanone
SMILES: CC1=NC2=C(C(=C1)COC)C(=C(S2)C(=O)N3CCN(CC3)C4=CC=CC=C4)N
Compound: N-[2-(1-cyclohexenyl)ethyl]-3-[(4-methylphenyl)methylthio]propanamide
SMILES: CC1=CC=C(C=C1)CSCCC(=O)NCCC2=CCCCC2
Compound: 1,3-dimethyl-6-(1-naphthalenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
SMILES: CN1C2=CN(C=C2C(=O)N(C1=O)C)C3=CC=CC4=CC=CC=C43
Compound: 4-(3-amino-2-imidazo[1,2-a]pyridinyl)-2-methoxyphenol
SMILES: COC1=C(C=CC(=C1)C2=C(N3C=CC=CC3=N2)N)O
Compound: 3-(4-chlorophenyl)-1-methyl-N-[(5-methyl-2-furanyl)methyl]-5-thieno[2,3-c]pyrazolecarboxamide
SMILES: CC1=CC=C(O1)CNC(=O)C2=CC3=C(S2)N(N=C3C4=CC=C(C=C4)Cl)C
Compound: 2-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-1-yl)oxy]acetic acid propan-2-yl ester
SMILES: CC1=CC2=C(C3=C(CCCC3)C(=O)O2)C(=C1)OCC(=O)OC(C)C
Compound: 2-(2',5'-dioxo-1'-spiro[3,4-dihydro-2H-1-benzopyran-4,4'-imidazolidine]yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
SMILES: CCN(C1=CC=C(C=C1)NC(=O)CN2C(=O)C3(CCOC4=CC=CC=C43)NC2=O)C(C)C
Compound: N-[3-(3-chlorophenyl)phenyl]-1-(3-isoxazolylmethyl)-4-piperidinecarboxamide
SMILES: C1CN(CCC1C(=O)NC2=CC=CC(=C2)C3=CC(=CC=C3)Cl)CC4=NOC=C4
Compound: 7-chloro-N-[(2-methylphenyl)methylideneamino]-4-quinolinamine
SMILES: CC1=CC=CC=C1C=NNC2=C3C=CC(=CC3=NC=C2)Cl
Compound: N-(2,5-difluorophenyl)-2-oxolanecarboxamide
SMILES: C1CC(OC1)C(=O)NC2=C(C=CC(=C2)F)F
Compound: 2-chloro-N-(2,3-dihydro-1H-inden-5-yl)-5-[(4-phenyl-1-piperazinyl)sulfonyl]benzamide
SMILES: C1CC2=C(C1)C=C(C=C2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5)Cl
Compound: 2-[(2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-6-yl)oxy]-N-heptylacetamide
SMILES: CCCCCCCNC(=O)COC1=CC2=C(C=C1)OC(CC2=O)(C)C
Compound: N-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methyl]-4-triazolecarboxamide
SMILES: C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CN(N=N3)CC4=CC=C(C=C4)F
Compound: N-[3-chloro-4-(4-methyl-1-piperazinyl)phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide
SMILES: CN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCCO4)Cl
Compound: 5-(1,3-benzodioxol-5-yl)-N-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine
SMILES: CC1=CC(=C(C=C1)NC2=NN=C(O2)C3=CC4=C(C=C3)OCO4)C
Compound: N-[4-[(4,4-diethyl-2,5-dioxo-1-imidazolidinyl)methyl]-2-oxo-1-benzopyran-7-yl]carbamic acid ethyl ester
SMILES: CCC1(C(=O)N(C(=O)N1)CC2=CC(=O)OC3=C2C=CC(=C3)NC(=O)OCC)CC
Compound: 4-[[2-(4-methyl-1-piperidinyl)-1,3-benzothiazol-6-yl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester
SMILES: CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)N=C(S3)N4CCC(CC4)C
Compound: 2-[(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)thio]-1-(4-phenyl-1-piperazinyl)ethanone
SMILES: CC1(CC2=CC=CC=C2C3=NN=C(N31)SCC(=O)N4CCN(CC4)C5=CC=CC=C5)C
Compound: N-[[4-[(3-methoxy-2-pyrazinyl)sulfamoyl]anilino]-sulfanylidenemethyl]-3-phenyl-2-propenamide
SMILES: COC1=NC=CN=C1NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC=CC=C3
Compound: 2,4-dichloro-5-(diethylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILES: CCN(CC)S(=O)(=O)C1=C(C=C(C(=C1)C(=O)NC2=NN=CS2)Cl)Cl
Compound: 2-[[(4-methyl-5-thieno[3,2-b]pyrrolyl)-oxomethyl]amino]benzoic acid methyl ester
SMILES: CN1C2=C(C=C1C(=O)NC3=CC=CC=C3C(=O)OC)SC=C2
Compound: 2-methoxy-6-[[(1-methyl-2-benzimidazolyl)amino]methyl]phenol
SMILES: CN1C2=CC=CC=C2N=C1NCC3=C(C(=CC=C3)OC)O
Compound: N-cyclohexyl-2-(5-methyl-2-furanyl)-3-imidazo[1,2-a]pyrimidinamine
SMILES: CC1=CC=C(O1)C2=C(N3C=CC=NC3=N2)NC4CCCCC4
Compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]acetamide
SMILES: CC1=CC=C(C=C1)N(CC(=O)NC2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=C(NN=C4C)C
Compound: (3,5-dimethoxyphenyl)-(4-methylsulfonyl-1-piperazinyl)methanone
SMILES: COC1=CC(=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C)OC
Compound: 5-[[2-(diethylamino)-9-methyl-4-oxo-3-pyrido[1,2-a]pyrimidinyl]methylidene]-1,3-diazinane-2,4,6-trione
SMILES: CCN(CC)C1=C(C(=O)N2C=CC=C(C2=N1)C)C=C3C(=O)NC(=O)NC3=O
Compound: 1-butyl-3-[(2,5-dimethylphenyl)methylideneamino]thiourea
SMILES: CCCCNC(=S)NN=CC1=C(C=CC(=C1)C)C
Compound: 3-methoxy-2-naphthalenecarboxylic acid [2-(4-morpholinyl)-2-oxoethyl] ester
SMILES: COC1=CC2=CC=CC=C2C=C1C(=O)OCC(=O)N3CCOCC3
Compound: 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-(1-piperidinyl)purine-2,6-dione
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC3)CC(COC4=CC=C(C=C4)OC)O
Compound: N-[(1-acetyl-3-indolyl)methylideneamino]-2,4-dimethyl-5-thiazolecarboxamide
SMILES: CC1=C(SC(=N1)C)C(=O)NN=CC2=CN(C3=CC=CC=C32)C(=O)C
Compound: N-(2-furanylmethyl)-5,7-dimethyl-6-[(3-methylphenyl)methyl]-3-pyrazolo[1,5-a]pyrimidinecarboxamide
SMILES: CC1=CC(=CC=C1)CC2=C(N3C(=C(C=N3)C(=O)NCC4=CC=CO4)N=C2C)C
Compound: 4-propan-2-yl-N-(3-pyridinyl)benzamide
SMILES: CC(C)C1=CC=C(C=C1)C(=O)NC2=CN=CC=C2
Compound: 1-[2-(4-phenylmethoxyphenoxy)ethyl]-1,2,4-triazole
SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)OCCN3C=NC=N3
Compound: 3-(1H-indol-3-yl)-N-[4-(2-pyrimidinylsulfamoyl)phenyl]propanamide
SMILES: C1=CC=C2C(=C1)C(=CN2)CCC(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4
Compound: N-[bis(methylthio)methylideneamino]-4-hydroxybenzamide
SMILES: CSC(=NNC(=O)C1=CC=C(C=C1)O)SC
Compound: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[(2R,4R)-4-(4-bromophenyl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-yl]methanone
SMILES: C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=C[C@@H](C[C@@H](O4)OCCCCO)C5=CC=C(C=C5)Br
Compound: 5-[2-[(4-chlorophenyl)thio]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=CC=C(C=C2)Cl)C
Compound: N-(3-acetyl-2-methyl-5-benzofuranyl)-N-(4-chloro-3-nitrophenyl)sulfonylacetamide
SMILES: CC1=C(C2=C(O1)C=CC(=C2)N(C(=O)C)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)C
Compound: 3-(methoxymethyl)-2-benzofurancarboxylic acid [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl ester
SMILES: CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=C(C4=CC=CC=C4O3)COC
Compound: N-[[5-(1,3-benzothiazol-2-ylthio)-2-furanyl]methylideneamino]-2-(2-methylphenoxy)acetamide
SMILES: CC1=CC=CC=C1OCC(=O)NN=CC2=CC=C(O2)SC3=NC4=CC=CC=C4S3
Compound: N-(4-ethylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
SMILES: CCC1=CC=C(C=C1)NC(=O)C2=NNC(=O)C3=CC=CC=C32
Compound: 2-(3,4-dimethylphenoxy)ethanethioic acid S-(4-methylphenyl) ester
SMILES: CC1=CC=C(C=C1)SC(=O)COC2=CC(=C(C=C2)C)C
Compound: 3-[[2-(6-methoxy-3-benzofuranyl)-1-oxoethyl]amino]benzoic acid methyl ester
SMILES: COC1=CC2=C(C=C1)C(=CO2)CC(=O)NC3=CC=CC(=C3)C(=O)OC
Compound: LSM-19241
SMILES: CCOC(=O)C1CN2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2S1
Compound: 4-(1-benzotriazolyl)-5-(2-methoxyphenoxy)benzene-1,2-dicarbonitrile
SMILES: COC1=CC=CC=C1OC2=C(C=C(C(=C2)C#N)C#N)N3C4=CC=CC=C4N=N3
Compound: 3-chloro-N-[2-[4-(4-fluorophenyl)-1-piperazinyl]-2-(3-pyridinyl)ethyl]benzamide
SMILES: C1CN(CCN1C2=CC=C(C=C2)F)C(CNC(=O)C3=CC(=CC=C3)Cl)C4=CN=CC=C4
Compound: 1-ethyl-2-[[(1-methyl-2-benzimidazolyl)thio]methyl]benzimidazole
SMILES: CCN1C2=CC=CC=C2N=C1CSC3=NC4=CC=CC=C4N3C
Compound: 2-chloro-3-propan-2-yliminonaphthalene-1,4-dione
SMILES: CC(C)N=C1C(C(=O)C2=CC=CC=C2C1=O)Cl
Compound: N-(2,4-dichlorophenyl)-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]acetamide
SMILES: COC1=CC=CC=C1C2=NN=C(O2)SCC(=O)NC3=C(C=C(C=C3)Cl)Cl
Compound: 2-[3-[3-(2-furanylmethylamino)-3-oxopropyl]-2,4-dioxo-1-thieno[3,2-d]pyrimidinyl]acetic acid (phenylmethyl) ester
SMILES: C1=CC=C(C=C1)COC(=O)CN2C3=C(C(=O)N(C2=O)CCC(=O)NCC4=CC=CO4)SC=C3
Compound: 3-[2-(4-chlorophenyl)-5,7-dimethyl-6-pyrazolo[1,5-a]pyrimidinyl]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]propanamide
SMILES: CC1=C(C(=NC2=CC(=NN12)C3=CC=C(C=C3)Cl)C)CCC(=O)NC(C)C4=CC5=C(C=C4)OCCO5
Compound: 1-benzimidazolyl-[2-(4-methoxyphenyl)-4-quinolinyl]methanone
SMILES: COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4C=NC5=CC=CC=C54
Compound: 1-(2,5-dimethoxyphenyl)-3-(3-pyridinyl)-2-propen-1-one
SMILES: COC1=CC(=C(C=C1)OC)C(=O)C=CC2=CN=CC=C2
Compound: N-[3-(1-azepanyl)propyl]-1-[(4-methoxyphenyl)methyl]-5-oxo-3-pyrrolidinecarboxamide
SMILES: COC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)NCCCN3CCCCCC3
Compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-(cyclohexylmethylideneamino)-5-(4-ethoxyphenyl)-4-triazolecarboxamide
SMILES: CCOC1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4CCCCC4
Compound: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone
SMILES: C1CN(CCN1C(=O)COC2=CC=C(C=C2)C3=NN=CO3)S(=O)(=O)C4=CC=CC=C4
Compound: 2-amino-3-[(2-fluorophenyl)hydrazinylidene]-7-imino-5-methyl-6-pyrazolo[1,5-a]pyrimidinecarbonitrile
SMILES: CC1=C(C(=N)N2C(=N1)C(=NNC3=CC=CC=C3F)C(=N2)N)C#N
Compound: 3-(3,4-dimethoxyphenyl)-7-hydroxy-2-methyl-8-[(2-methyl-1-piperidinyl)methyl]-1-benzopyran-4-one
SMILES: CC1CCCCN1CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC(=C(C=C4)OC)OC)C)O
Compound: N-(3,4-dimethoxyphenyl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
SMILES: COC1=CC2=C(C=C1)C3=C(CC2)C(=NO3)C(=O)NC4=CC(=C(C=C4)OC)OC
Compound: N-(3-bicyclo[2.2.1]heptanylideneamino)-3-hydroxy-2-naphthalenecarboxamide
SMILES: C1CC2CC1CC2=NNC(=O)C3=CC4=CC=CC=C4C=C3O
Compound: 4-(1,3-benzothiazol-2-ylthio)butanoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester
SMILES: C1=CC=C2C(=C1)N=C(S2)SCCCC(=O)OCC(=O)NC3=C(C=CS3)C#N
Compound: [3-bromo-5-thiophen-2-yl-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILES: C1CC2=CC=CC=C2N(C1)C(=O)C3=NN4C(=CC(=NC4=C3Br)C5=CC=CS5)C(F)(F)F
Compound: 1-[3-(4-chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-propanone
SMILES: CCC(=O)N1C(=NC(=N1)C2=CC=C(C=C2)Cl)SC
Compound: N-cyclohexyl-N,4-dimethyl-5-thieno[3,2-b]pyrrolecarboxamide
SMILES: CN1C2=C(C=C1C(=O)N(C)C3CCCCC3)SC=C2
Compound: 1-(2-methylphenyl)-5-[[1-(phenylmethyl)-3,4-dihydro-2H-quinolin-6-yl]methylidene]-1,3-diazinane-2,4,6-trione
SMILES: CC1=CC=CC=C1N2C(=O)C(=CC3=CC4=C(C=C3)N(CCC4)CC5=CC=CC=C5)C(=O)NC2=O
Compound: 3-ethyl-4-oxo-1-phthalazinecarboxylic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester
SMILES: CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C3=CNC4=CC=CC=C43
Compound: 5-(4-methoxyphenyl)-N-propan-2-yl-3-isoxazolecarboxamide
SMILES: CC(C)NC(=O)C1=NOC(=C1)C2=CC=C(C=C2)OC
Compound: 4-phenyl-N-(3-pyridinylmethyl)-6-(trifluoromethyl)-2-pyrimidinamine
SMILES: C1=CC=C(C=C1)C2=CC(=NC(=N2)NCC3=CN=CC=C3)C(F)(F)F
Compound: 5-[[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-2-phenylthiazole
SMILES: CN1C(=NN=C1SCC2=CN=C(S2)C3=CC=CC=C3)C4COC5=CC=CC=C5O4
Compound: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-2-(4-methoxyanilino)acetamide
SMILES: COC1=CC=C(C=C1)NCC(=O)NN=CC2=CC3=C(C=C2)OCCO3
Compound: [4-[(2,4-dichlorophenoxy)methyl]phenyl]-(4-methyl-1-piperazinyl)methanone
SMILES: CN1CCN(CC1)C(=O)C2=CC=C(C=C2)COC3=C(C=C(C=C3)Cl)Cl
Compound: 4-bromo-3-nitrobenzoic acid [2-[anilino(oxo)methyl]phenyl] ester
SMILES: C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2OC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]
Compound: 4-phenyl-3-[2-(phenylmethylthio)ethyl]-1H-1,2,4-triazole-5-thione
SMILES: C1=CC=C(C=C1)CSCCC2=NNC(=S)N2C3=CC=CC=C3
Compound: 5-bromo-N-[[[oxo(thiophen-2-yl)methyl]hydrazo]-sulfanylidenemethyl]-2-furancarboxamide
SMILES: C1=CSC(=C1)C(=O)NNC(=S)NC(=O)C2=CC=C(O2)Br
Compound: 2-(4-chlorophenyl)-5-(1-piperidinyl)-4-oxazolecarbonitrile
SMILES: C1CCN(CC1)C2=C(N=C(O2)C3=CC=C(C=C3)Cl)C#N
Compound: 3-(phenylmethyl)-6-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILES: C1=CC=C(C=C1)CC2=NN=C3N2N=C(S3)C4=CC=NC=C4
Compound: N-(1,3-benzothiazol-2-yl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
SMILES: C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=NC5=CC=CC=C5S4
Compound: 2-pyridin-4-yl-1H-quinazolin-4-one
SMILES: C1=CC=C2C(=C1)C(=O)N=C(N2)C3=CC=NC=C3
Compound: 5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(3-nitrophenyl)methyl]-2-phenyl-1H-pyrazol-3-one
SMILES: CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC(=CC=C3)[N+](=O)[O-])C4=C(NN(C4=O)C5=CC=CC=C5)C
Compound: methylenediurea
SMILES: NC(=O)NCNC(N)=O
Compound: N-(2,5-diethoxyphenyl)-2-[(3-methyl-2-imidazo[4,5-b]pyridinyl)thio]acetamide
SMILES: CCOC1=CC(=C(C=C1)OCC)NC(=O)CSC2=NC3=C(N2C)N=CC=C3
Compound: N-[2-methoxy-5-(2-oxo-1-benzopyran-3-yl)phenyl]-5-nitro-2-furancarboxamide
SMILES: COC1=C(C=C(C=C1)C2=CC3=CC=CC=C3OC2=O)NC(=O)C4=CC=C(O4)[N+](=O)[O-]
Compound: [5-phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-(1-piperidinyl)methanone
SMILES: C1CCN(CC1)C(=O)C2=NN3C(=CC(=NC3=N2)C4=CC=CC=C4)C(F)(F)F
Compound: 5-[(5-methoxycarbonyl-2-methyl-3-furanyl)methoxy]-2-methyl-3-benzofurancarboxylic acid 2-methoxyethyl ester
SMILES: CC1=C(C=C(O1)C(=O)OC)COC2=CC3=C(C=C2)OC(=C3C(=O)OCCOC)C
Compound: 2-amino-4-[4-(methylthio)phenyl]-5-oxo-1-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILES: CSC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=CC=C4)N)C#N
Compound: 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid (3-bromophenyl)methyl ester
SMILES: CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)OCC3=CC(=CC=C3)Br
Compound: 1-oxo-2-benzothiopyran-3-carboxylic acid methyl ester
SMILES: COC(=O)C1=CC2=CC=CC=C2C(=O)S1
Compound: N-[1-[(2-bromophenyl)methyl]-2-oxo-3-pyridinyl]butanamide
SMILES: CCCC(=O)NC1=CC=CN(C1=O)CC2=CC=CC=C2Br
Compound: N4-ethyl-6-[2-(4-methylphenoxy)ethylthio]-N2-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILES: CCNC1=NC(=NC(=N1)SCCOC2=CC=C(C=C2)C)NC(C)C
Compound: 2-[[2-(3,4-dimethoxyphenyl)-5-methyl-4-oxazolyl]methylsulfinyl]-N-[3-(1-pyrrolidinyl)propyl]acetamide
SMILES: CC1=C(N=C(O1)C2=CC(=C(C=C2)OC)OC)CS(=O)CC(=O)NCCCN3CCCC3
Compound: 1-(4-ethoxyphenyl)-3-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)urea
SMILES: CCOC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)SCC(=O)N3C
Compound: 3-[(3-chlorophenyl)methyl]-5-ethoxy-1,6-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILES: CCOC1=C2C(=NC=C1C)N(C(=O)N(C2=O)CC3=CC(=CC=C3)Cl)C
Compound: 4-[[6-[(2-methyl-5-thieno[2,3-e][1,3]benzothiazolyl)oxy]-3-pyridinyl]sulfonyl]morpholine
SMILES: CC1=NC2=C(S1)C=C(C3=C2SC=C3)OC4=NC=C(C=C4)S(=O)(=O)N5CCOCC5
Compound: 3-methoxy-4-(2-methoxy-3-methoxycarbonyl-1-naphthalenyl)-2-naphthalenecarboxylic acid methyl ester
SMILES: COC1=C(C2=CC=CC=C2C=C1C(=O)OC)C3=C(C(=CC4=CC=CC=C43)C(=O)OC)OC
Compound: 2-(pyridin-4-ylmethylamino)benzoic acid
SMILES: C1=CC=C(C(=C1)C(=O)O)NCC2=CC=NC=C2
Compound: 3-chloro-N-[5-(3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILES: C1=CC(=CC(=C1)Cl)C(=O)NC2=NN=C(O2)C3=CN=CC=C3
Compound: N-[3-(4-methyl-1-piperazinyl)propyl]-4-(phenylmethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide
SMILES: CN1CCN(CC1)CCCNC(=O)C2=CC3=C(C=C2)SCCN3CC4=CC=CC=C4
Compound: 5-methoxy-4-[(2-methoxyphenyl)thio]-2-phenylpyrimidine
SMILES: COC1=CC=CC=C1SC2=NC(=NC=C2OC)C3=CC=CC=C3
Compound: 3-[(2-fluorophenyl)methyl]-N-[3-(methylthio)phenyl]-1,3-diazinane-1-carbothioamide
SMILES: CSC1=CC=CC(=C1)NC(=S)N2CCCN(C2)CC3=CC=CC=C3F
Compound: 2-fluoro-N-[(2-methyl-3-indolylidene)amino]aniline
SMILES: CC1=NC2=CC=CC=C2C1=NNC3=CC=CC=C3F
Compound: 2-amino-4-[5-methyl-2-(methylthio)-3-thiophenyl]-5-oxo-1-(3-pyridinyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILES: CC1=CC(=C(S1)SC)C2C(=C(N(C3=C2C(=O)CCC3)C4=CN=CC=C4)N)C#N
Compound: 5-nitro-2-furancarboxylic acid [2-oxo-2-[3-(1-piperidinylsulfonyl)anilino]ethyl] ester
SMILES: C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=CC=C(O3)[N+](=O)[O-]
Compound: 7-methoxy-3,5-dimethyl-2-thiazolo[4,5-d]pyrimidinethione
SMILES: CC1=NC2=C(C(=N1)OC)SC(=S)N2C
Compound: 5-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-hydroxypropoxy]-2-methyl-1-(phenylmethyl)-3-indolecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CN3C(=NC(=N3)C)C)O)CC4=CC=CC=C4)C
Compound: 2-thiophenecarboxylic acid [2-ethoxy-4-[(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]phenyl] ester
SMILES: CCOC1=C(C=CC(=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)C)OC(=O)C4=CC=CS4
Compound: 3-[3-[(2,4-dinitrophenyl)hydrazinylidene]-1-phenylbutyl]-4-hydroxy-1-benzopyran-2-one
SMILES: CC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])CC(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O
Compound: 1-[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(phenylmethyl)urea
SMILES: C1=CC=C(C=C1)CNC(=O)NC2=CC=CN(C2=O)CC3=C(C=CC=C3Cl)F
Compound: 3-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-4-thiazolidinone
SMILES: COC1=CC=C(C=C1)N=C2N(C(=O)CS2)C3=CC=C(C=C3)OC
Compound: 2-[[3-butyl-6-(4-morpholinyl)-4-oxo-2-quinazolinyl]thio]acetamide
SMILES: CCCCN1C(=O)C2=C(C=CC(=C2)N3CCOCC3)N=C1SCC(=O)N
Compound: N-methyl-2-[[4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetamide
SMILES: CNC(=O)CSC1=NN=C(N1C)COC2=CC=C(C=C2)[N+](=O)[O-]
Compound: N-[2-(1-cyclohexenyl)ethyl]-1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine
SMILES: C1CCC(=CC1)CCNC2=NC=NC3=C2C=NN3C4=CC=CC=C4
Compound: 4-methyl-2-[(5-methyl-2-thiophenyl)methylideneamino]phenol
SMILES: CC1=CC(=C(C=C1)O)N=CC2=CC=C(S2)C
Compound: N-(1-dibutoxyphosphoryl-4-oxo-1-naphthalenyl)benzenesulfonamide
SMILES: CCCCOP(=O)(C1(C=CC(=O)C2=CC=CC=C21)NS(=O)(=O)C3=CC=CC=C3)OCCCC
Compound: 4-(1,3-dioxo-2-isoindolyl)-N-(4-methyl-2-pyrimidinyl)benzenesulfonamide
SMILES: CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O
Compound: 1-[(2-chlorophenyl)methyl]-N-[3-(N-ethyl-3-methylanilino)propyl]-5-oxo-2-pyrrolidinecarboxamide
SMILES: CCN(CCCNC(=O)C1CCC(=O)N1CC2=CC=CC=C2Cl)C3=CC=CC(=C3)C
Compound: 2-(2-methoxyethyl)-9-methyl-4-[(4-methyl-1-piperidinyl)-oxomethyl]-1-pyrido[3,4-b]indolone
SMILES: CC1CCN(CC1)C(=O)C2=CN(C(=O)C3=C2C4=CC=CC=C4N3C)CCOC
Compound: 1-(4-chlorophenyl)-3-[[1-(4-methoxyphenyl)-3-pyrrolidinyl]methyl]urea
SMILES: COC1=CC=C(C=C1)N2CCC(C2)CNC(=O)NC3=CC=C(C=C3)Cl
Compound: 2-methoxy-N-(2-pyridinylmethyl)-3-dibenzofuranamine
SMILES: COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NCC4=CC=CC=N4
Compound: N-[2-(4-chlorophenyl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)acetamide
SMILES: C1=CC2=NN=C(N2C=C1)SCC(=O)NCCC3=CC=C(C=C3)Cl
Compound: N-methyl-5-phenyl-2-thiophenecarboxamide
SMILES: CNC(=O)C1=CC=C(S1)C2=CC=CC=C2
Compound: 3-methyl-2-benzo[g]benzofurancarboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester
SMILES: CC1=C(OC2=C1C=CC3=CC=CC=C32)C(=O)OCC(=O)N(CCC#N)C4=CC=CC=C4
Compound: 4-bromo-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
SMILES: C1=CC=C(C=C1)COC2=CC=CC(=C2)C=NNC(=O)C3=CC=C(C=C3)Br
Compound: 2-[[(2-ethoxyphenyl)-oxomethyl]amino]acetic acid [2-(2,6-dimethyl-1-piperidinyl)-2-oxoethyl] ester
SMILES: CCOC1=CC=CC=C1C(=O)NCC(=O)OCC(=O)N2C(CCCC2C)C
Compound: 2-chloro-N-[(2-pyrimidinylamino)-sulfanylidenemethyl]benzamide
SMILES: C1=CC=C(C(=C1)C(=O)NC(=S)NC2=NC=CC=N2)Cl
Compound: 4-(3,4-dimethoxyphenyl)-1-(2-methoxyethyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
SMILES: COCCN1C=C(C(C(=C1)C(=O)OC)C2=CC(=C(C=C2)OC)OC)C(=O)OC
Compound: N-[(2-methoxyphenyl)methyl]-4-(1-piperidinyl)aniline
SMILES: COC1=CC=CC=C1CNC2=CC=C(C=C2)N3CCCCC3
Compound: 4-(4-chloro-2-methylphenoxy)-1-(4-morpholinyl)-1-butanone
SMILES: CC1=C(C=CC(=C1)Cl)OCCCC(=O)N2CCOCC2
Compound: N-[2-cyano-5-(cyanomethylthio)-4-phenyl-3-thiophenyl]-4-fluorobenzamide
SMILES: C1=CC=C(C=C1)C2=C(SC(=C2NC(=O)C3=CC=C(C=C3)F)C#N)SCC#N
Compound: N-[3-[4-[(2-methoxyphenyl)sulfamoyl]anilino]-3-oxopropyl]-2-furancarboxamide
SMILES: COC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCNC(=O)C3=CC=CO3
Compound: 4-methoxybenzoic acid [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] ester
SMILES: COC1=CC=C(C=C1)C(=O)OCC(=O)NC2=NN=C(O2)C3=CC=CC=C3
Compound: 3-[5-[[4-(2-pyridinyl)-1-piperazinyl]sulfonyl]-2-thiophenyl]isoxazole
SMILES: C1CN(CCN1C2=CC=CC=N2)S(=O)(=O)C3=CC=C(S3)C4=NOC=C4
Compound: 4-[4-[3-(2-furanyl)prop-2-enylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid propan-2-yl ester
SMILES: CC1=NN(C(=O)C1=CC=CC2=CC=CO2)C3=CC=C(C=C3)C(=O)OC(C)C
Compound: N-(2-hydroxyethyl)-1-(5-nitro-2-furanyl)methanimine oxide
SMILES: C1=C(OC(=C1)[N+](=O)[O-])C=[N+](CCO)[O-]
Compound: [4-methoxy-3-(4-morpholinylsulfonyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILES: COC1=C(C=C(C=C1)C(=O)N2CCC(=CC2)C3=CC=CC=C3)S(=O)(=O)N4CCOCC4
Compound: 4-methyl-2-(8-quinolinyl)-1-phthalazinone
SMILES: CC1=NN(C(=O)C2=CC=CC=C12)C3=CC=CC4=C3N=CC=C4
Compound: N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-thiophenecarboxamide
SMILES: CC(C)(C)N1C(=C2CS(=O)CC2=N1)NC(=O)C3=CC=CS3
Compound: N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-pyridinecarboxamide
SMILES: C1=CC=C(C(=C1)C2=NN=C(O2)NC(=O)C3=CN=CC=C3)Cl
Compound: 2-pyridinecarboxylic acid [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] ester
SMILES: C1=CC=C(C(=C1)NC(=O)COC(=O)C2=CC=CC=N2)OC(F)F
Compound: 1-[2-[3-(N-ethylanilino)propylamino]-3,4-dioxo-1-cyclobutenyl]-4-piperidinecarboxylic acid ethyl ester
SMILES: CCN(CCCNC1=C(C(=O)C1=O)N2CCC(CC2)C(=O)OCC)C3=CC=CC=C3
Compound: 4-(2-methoxyphenoxy)-N-(3-pyridinyl)benzenesulfonamide
SMILES: COC1=CC=CC=C1OC2=CC=C(C=C2)S(=O)(=O)NC3=CN=CC=C3
Compound: 2-[[oxo(thiophen-2-yl)methyl]amino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILES: CCCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=CS3
Compound: 3-methyl-1-(3-propan-2-yloxypropylamino)-4-pyrido[1,2-a]benzimidazolecarbonitrile
SMILES: CC1=C(C2=NC3=CC=CC=C3N2C(=C1)NCCCOC(C)C)C#N
Compound: N-[4-(difluoromethoxy)phenyl]-4-(phenylmethyl)-1-piperazinecarbothioamide
SMILES: C1CN(CCN1CC2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)OC(F)F
Compound: 4-[4-oxo-2-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-3-quinazolinyl]-1-piperidinecarboxylic acid ethyl ester
SMILES: CCOC(=O)N1CCC(CC1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC4=CC=CC=C4
Compound: N-[5-[(4-methylphenyl)methyl]-2-thiazolyl]-2-oxolanecarboxamide
SMILES: CC1=CC=C(C=C1)CC2=CN=C(S2)NC(=O)C3CCCO3
Compound: 2-(2-fluorophenoxy)-N-[4-(2-furanylmethylsulfamoyl)phenyl]acetamide
SMILES: C1=CC=C(C(=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3)F
Compound: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(3-methylphenyl)ethyl]-3-[3-(4-morpholinyl)propyl]thiourea
SMILES: CC1=CC(=CC=C1)CCN(CC2=CC3=CC(=C(C=C3NC2=O)OC)OC)C(=S)NCCCN4CCOCC4
Compound: 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane
SMILES: CC1CC(NCCNC(CC(NCCN1)(C)C)C)(C)C
Compound: 2-[2-[[5-cyano-1-(3-methoxypropyl)-6-oxo-3-pyridinyl]-oxomethyl]-4-methoxyphenoxy]-N-(5-methyl-3-isoxazolyl)acetamide
SMILES: CC1=CC(=NO1)NC(=O)COC2=C(C=C(C=C2)OC)C(=O)C3=CN(C(=O)C(=C3)C#N)CCCOC
Compound: N-[3-chloro-4-(4-morpholinyl)phenyl]-1,1-dioxo-1,2-benzothiazol-3-amine
SMILES: C1COCCN1C2=C(C=C(C=C2)NC3=NS(=O)(=O)C4=CC=CC=C43)Cl
Compound: 2-[[anilino(oxo)methyl]amino]-4,5-dimethoxybenzoic acid
SMILES: COC1=C(C=C(C(=C1)C(=O)O)NC(=O)NC2=CC=CC=C2)OC
Compound: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]methanone
SMILES: CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3)C
Compound: 5-(5-bromo-2-chlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILES: C1=CC(=C(C=C1Br)C2=NC(=NO2)C3=CC=NC=C3)Cl
Compound: 3,4,5-trimethoxy-N-[2-(1-methyl-2-benzimidazolyl)ethyl]benzamide
SMILES: CN1C2=CC=CC=C2N=C1CCNC(=O)C3=CC(=C(C(=C3)OC)OC)OC
Compound: LSM-19351
SMILES: CC1=CC2=C(C=C1C)N=C3CC(CC(=O)C3C(N2)C4=CC=C(C=C4)NC(=O)C)(C)C
Compound: 2-[2-(1-naphthalenyloxy)ethylthio]pyrimidine
SMILES: C1=CC=C2C(=C1)C=CC=C2OCCSC3=NC=CC=N3
Compound: 3,3-bis(4-hydroxy-3-methylphenyl)-1H-indol-2-one
SMILES: CC1=C(C=CC(=C1)C2(C3=CC=CC=C3NC2=O)C4=CC(=C(C=C4)O)C)O
Compound: LSM-19354
SMILES: CC1=NC2=NC=NN2C(C1C(=O)OC(C)C)C3=CN=CC=C3
Compound: propanoic acid [4-[[2-furanyl(oxo)methyl]amino]phenyl] ester
SMILES: CCC(=O)OC1=CC=C(C=C1)NC(=O)C2=CC=CO2
Compound: 1-[4-(2-pyridinyl)-1-piperazinyl]-2-(9H-xanthen-9-yl)ethanone
SMILES: C1CN(CCN1C2=CC=CC=N2)C(=O)CC3C4=CC=CC=C4OC5=CC=CC=C35
Compound: 2-chloro-5-[[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]amino]benzoic acid methyl ester
SMILES: COC(=O)C1=C(C=CC(=C1)NC(=O)C2COC3=CC=CC=C3O2)Cl
Compound: 1-(4-methoxyphenyl)-N-[2-(4-morpholinyl)ethyl]-4-pyrazolo[3,4-d]pyrimidinamine
SMILES: COC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NCCN4CCOCC4
Compound: 1-cyclopentyl-3-(2-phenoxyphenyl)thiourea
SMILES: C1CCC(C1)NC(=S)NC2=CC=CC=C2OC3=CC=CC=C3
Compound: 5-tert-butyl-7-(4-ethyl-1-piperazinyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
SMILES: CCN1CCN(CC1)C2=CC(=NC3=C(C(=NN23)C)C4=CC=CC=C4)C(C)(C)C
Compound: 3-(3-nitrophenyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione
SMILES: C1=CC=C(C=C1)CN2C(=NNC2=S)C3=CC(=CC=C3)[N+](=O)[O-]
Compound: 2-[[1-(4-methoxy-2-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acid
SMILES: COC1=CC(=C(C=C1)N2C(=O)CC(C2=O)SC3=CC=CC=C3C(=O)O)[N+](=O)[O-]
Compound: 3-[3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]-7-methoxy-1H-quinolin-2-one
SMILES: CCC(C)(C)N1C(=NN=N1)C(C2=CC3=C(C=C(C=C3)OC)NC2=O)N4CCC5=CC=CC=C5C4
Compound: 4-[[[2-(4-methoxyphenyl)-3-oxo-1H-isoindol-4-yl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester
SMILES: CCOC(=O)N1CCC(CC1)NC(=O)C2=C3C(=CC=C2)CN(C3=O)C4=CC=C(C=C4)OC
Compound: 6-chloro-[1,2,4]triazolo[3,4-a]phthalazine
SMILES: C1=CC=C2C(=C1)C3=NN=CN3N=C2Cl
Compound: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoic acid thiophen-2-ylmethyl ester
SMILES: C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=CC=C3C(=O)OCC4=CC=CS4
Compound: 5-chloro-4-[methoxy(phenyl)methyl]-1-methyl-3-phenylpyrazole
SMILES: CN1C(=C(C(=N1)C2=CC=CC=C2)C(C3=CC=CC=C3)OC)Cl
Compound: 2-(4-methoxyphenyl)-4-quinolinecarboxylic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester
SMILES: CC(C)NC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)OC
Compound: 5-chloro-N-[4-(2-furanyl)but-3-en-2-ylideneamino]-2-hydroxybenzamide
SMILES: CC(=NNC(=O)C1=C(C=CC(=C1)Cl)O)C=CC2=CC=CO2
Compound: 4-[[2-[(3-methylphenyl)methylidene]-3-oxo-4H-1,4-benzothiazin-6-yl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester
SMILES: CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)SC(=CC4=CC(=CC=C4)C)C(=O)N3
Compound: N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)heptanamide
SMILES: CCCCCCC(=O)NC1=C(C2=CC=CC=C2NC1=O)O
Compound: 4-[2-(cyclohexylamino)-2-oxo-1-[(1-oxo-2-thiophen-2-ylethyl)-(phenylmethyl)amino]ethyl]benzoic acid methyl ester
SMILES: COC(=O)C1=CC=C(C=C1)C(C(=O)NC2CCCCC2)N(CC3=CC=CC=C3)C(=O)CC4=CC=CS4
Compound: 3-cyclohexyl-N-(1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)propanamide
SMILES: CN1C(=CC(=O)N(C1=O)C)NC(=O)CCC2CCCCC2
Compound: 6-ethoxy-3-[[[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
SMILES: CCC(C)(C)N1C(=NN=N1)CN(CC2=CC=CS2)CC3=CC4=C(C=CC(=C4)OCC)NC3=O
Compound: 2-(2,4-dichlorophenyl)-5-[2-(methylthio)phenyl]-1,3,4-oxadiazole
SMILES: CSC1=CC=CC=C1C2=NN=C(O2)C3=C(C=C(C=C3)Cl)Cl
Compound: N-[1-(4-bromophenyl)ethyl]cyclobutanecarboxamide
SMILES: CC(C1=CC=C(C=C1)Br)NC(=O)C2CCC2
Compound: (-)-phaseolin
SMILES: C12=C3C(=CC=C2OC(CC1)(C)C)[C@]4([C@@](O3)(C=5C=CC(O)=CC5OC4)[H])[H]
Compound: 6-methyl-2-[2-[(3-methyl-2-thiophenyl)methylidene]hydrazinyl]-1H-pyrimidin-4-one
SMILES: C(=NNC1=NC(=O)C=C(N1)C)C2=C(C)C=CS2
Compound: 4-[[7-methyl-4-(phenylthio)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]methyl]morpholine
SMILES: CC1CCC2=C(C1)SC3=C2C(=NC(=N3)CN4CCOCC4)SC5=CC=CC=C5
Compound: 6-chloro-4-hydroxy-3-(phenylmethyl)-1H-quinolin-2-one
SMILES: C1=CC=C(C=C1)CC2=C(C3=C(C=CC(=C3)Cl)NC2=O)O
Compound: 5-[(4-chlorophenyl)hydrazinylidene]-2,2-dimethyl-4-oxanone
SMILES: CC1(CC(=O)C(=NNC2=CC=C(C=C2)Cl)CO1)C
Compound: 2-amino-5-[[3-(3-methyl-4-propan-2-yloxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-4-thiazolone
SMILES: CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N)C4=CC=CC=C4)OC(C)C
Compound: N'-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylmethanimidamide
SMILES: CN(C)C=NC1=NC2=C(S1)C=C(C=C2)OC
Compound: 2-[6-(methoxymethyl)-4-oxo-1H-pyrimidin-2-yl]-1-(4-methylphenyl)guanidine
SMILES: CC1=CC=C(C=C1)NC(=NC2=NC(=O)C=C(N2)COC)N
Compound: N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophenecarboxamide
SMILES: C1=CSC(=C1)C(=O)NC2=NN=C(S2)COC3=CC=C(C=C3)Cl
Compound: 3-methoxybenzoic acid [[amino-(4-nitrophenyl)methylidene]amino] ester
SMILES: COC1=CC=CC(=C1)C(=O)ON=C(C2=CC=C(C=C2)[N+](=O)[O-])N
Compound: 6-methoxy-3-methyl-1,3-benzothiazol-2-imine
SMILES: CN1C2=C(C=C(C=C2)OC)SC1=N
Compound: 5-(dimethylaminomethylidene)-3-(4-methylphenyl)-1,1-dioxo-1,3-thiazolidin-4-one
SMILES: CC1=CC=C(C=C1)N2CS(=O)(=O)C(=CN(C)C)C2=O
Compound: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzenesulfonamide
SMILES: CC(C)CC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]
Compound: 2,5-dichloro-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILES: COC1=CC=C(C=C1)C2=NN=C(O2)NC(=O)C3=C(C=CC(=C3)Cl)Cl
Compound: 4-[[3-cyano-4-methyl-6-(3-pyridinyl)-2-pyridinyl]thio]-3-oxobutanoic acid ethyl ester
SMILES: CCOC(=O)CC(=O)CSC1=C(C(=CC(=N1)C2=CN=CC=C2)C)C#N
Compound: N-(2-furanylmethyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide
SMILES: CCCNS(=O)(=O)C1=CC=C(C=C1)OCC(=O)NCC2=CC=CO2
Compound: 8-(trifluoromethyl)-1H-quinolin-4-one
SMILES: C1=CC2=C(C(=C1)C(F)(F)F)NC=CC2=O
Compound: 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4,6-dimethyl-3-pyridinecarbonitrile
SMILES: CC1=CC(=NC(=C1C#N)NC2=CC3=C(C=C2)OCCO3)C
Compound: 2-[[4-methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester
SMILES: CN1C(=NN=C1SCC(=O)OC)CCC2=CC=CC=C2
Compound: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidinecarboxylic acid [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] ester
SMILES: C1CN(CCC1C(=O)OCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)S(=O)(=O)C3=CC4=C(C=C3)OCCO4
Compound: 2-(3-methylphenyl)sulfonyl-2-[3-(1-pyrrolidinyl)-2-quinoxalinyl]acetonitrile
SMILES: CC1=CC(=CC=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCCC4
Compound: 5-[3-(3-chlorophenyl)-1-oxoprop-2-enyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester
SMILES: CC1=C(NC(=C1C(=O)OC)C)C(=O)C=CC2=CC(=CC=C2)Cl
Compound: 2-cyano-2-[3-(4-morpholinyl)-2-quinoxalinyl]acetic acid hexyl ester
SMILES: CCCCCCOC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCOCC3
Compound: [1-[3-(4-methylphenoxy)propyl]-2-benzimidazolyl]methanol
SMILES: CC1=CC=C(C=C1)OCCCN2C3=CC=CC=C3N=C2CO
Compound: 2-amino-1-(dimethylamino)-4-(1-naphthalenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILES: CN(C)N1C2=C(C(C(=C1N)C#N)C3=CC=CC4=CC=CC=C43)C(=O)CC(C2)C5=CC=CC=C5
Compound: 1-[1-methyl-2-(1-pyrrolidinylmethyl)-5-benzimidazolyl]-3-phenylurea
SMILES: CN1C2=C(C=C(C=C2)NC(=O)NC3=CC=CC=C3)N=C1CN4CCCC4
Compound: 3-[(4-chlorophenyl)thio]-1-[4-(4-hydroxyphenyl)-1-piperazinyl]-1-propanone
SMILES: C1CN(CCN1C2=CC=C(C=C2)O)C(=O)CCSC3=CC=C(C=C3)Cl
Compound: 2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(2-pyridinylmethyl)acetamide
SMILES: C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC(=C(C=C3)OCC(=O)NCC4=CC=CC=N4)Cl
Compound: 2-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]-1,5-dimethyl-4-pyrrolo[3,2-c]quinolinone
SMILES: CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3C)C5=CC=CC=C5N(C4=O)C)C
Compound: 2-[2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)amino]ethoxy]ethanol
SMILES: C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NCCOCCO
Compound: 2,5-dimethyl-N-[(2-nitrophenyl)methylideneamino]-3-furancarboxamide
SMILES: CC1=CC(=C(O1)C)C(=O)NN=CC2=CC=CC=C2[N+](=O)[O-]
Compound: 4-(3-chlorophenyl)-2-oxo-3-(2-quinolinyl)-3-butenoic acid
SMILES: C1=CC=C2C(=C1)C=CC(=N2)C(=CC3=CC(=CC=C3)Cl)C(=O)C(=O)O
Compound: benzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester
SMILES: C1=CC=C(C=C1)C(=O)OCC(=O)NCC2=CC=CO2
Compound: 4-(1-azepanylsulfonyl)-N-[5-[(4-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]benzamide
SMILES: C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)NC4=CC=C(C=C4)Cl)O
Compound: 2-[2,5-dimethyl-3-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1-pyrrolyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(SC2=C1CCCC2)N3C(=CC(=C3C)C=C4C(=O)NC(=O)NC4=O)C
Compound: 6-(7,8-dimethoxy-1-methyl-3-phenyl-2H-pyrazolo[3,4-c]isoquinolin-5-ylidene)-1-cyclohexa-2,4-dienone
SMILES: CC1=C2C3=CC(=C(C=C3C(=C4C=CC=CC4=O)N=C2N(N1)C5=CC=CC=C5)OC)OC
Compound: 3-methoxy-2-(3-pyridinylmethylthio)-4-quinazolinone
SMILES: CON1C(=O)C2=CC=CC=C2N=C1SCC3=CN=CC=C3
Compound: 2-(4-bromophenyl)-1-(2,4-dihydroxyphenyl)ethanone
SMILES: C1=CC(=CC=C1CC(=O)C2=C(C=C(C=C2)O)O)Br
Compound: 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2)OCO3)C
Compound: 6,6,7-trimethyl-1-(4-morpholinyl)-3-(phenylmethylthio)-5,8-dihydro-2,7-naphthyridine-4-carbonitrile
SMILES: CC1(CC2=C(C(=NC(=C2CN1C)N3CCOCC3)SCC4=CC=CC=C4)C#N)C
Compound: 1-[3-[1-cyano-2-oxo-2-[(phenylmethyl)amino]ethyl]-2-quinoxalinyl]-3-piperidinecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1CCCN(C1)C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)NCC4=CC=CC=C4
Compound: N-[2-(dipropylamino)ethyl]-4-methyl-2-furo[3,2-c]quinolinecarboxamide
SMILES: CCCN(CCC)CCNC(=O)C1=CC2=C(O1)C3=CC=CC=C3N=C2C
Compound: N-[4-(9H-fluoren-9-yl)-1-piperazinyl]-1-pyridin-4-ylmethanimine
SMILES: C1CN(CCN1C2C3=CC=CC=C3C4=CC=CC=C24)N=CC5=CC=NC=C5
Compound: 6-amino-5-cyano-2-[[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]methyl]-4-phenyl-4H-pyran-3-carboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(OC(=C(C1C2=CC=CC=C2)C#N)N)CSC3=C(C(=CC(=N3)C)C)C#N
Compound: N-tert-butyl-1,2-dihydroacenaphthylene-5-carboxamide
SMILES: CC(C)(C)NC(=O)C1=C2C=CC=C3C2=C(CC3)C=C1
Compound: 6-bromo-2-(4-methylphenyl)-N-[(1-methyl-4-pyrazolyl)methyl]-4-quinolinecarboxamide
SMILES: CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NCC4=CN(N=C4)C
Compound: [(3-bromo-2-oxo-6,7,8,9-tetrahydrodibenzofuran-1-ylidene)methylamino]thiourea
SMILES: C1CCC2=C(C1)C3=C(O2)C=C(C(=O)C3=CNNC(=S)N)Br
Compound: 2-[(4-fluorophenyl)methylidene]-6,7-dihydro-5H-thiazolo[3,2-a]pyrimidin-3-one
SMILES: C1CN=C2N(C1)C(=O)C(=CC3=CC=C(C=C3)F)S2
Compound: 3-(2-furanylmethyl)-5,6-dimethyl-2-[(3-methylphenyl)methylthio]-4-thieno[2,3-d]pyrimidinone
SMILES: CC1=CC(=CC=C1)CSC2=NC3=C(C(=C(S3)C)C)C(=O)N2CC4=CC=CO4
Compound: 2-sulfanylidene-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester
SMILES: COC(=O)C1=C(SC(=S)S1)C(=O)OC
Compound: 2-[[[4-[(3-methylanilino)-oxomethyl]-1H-imidazol-5-yl]-oxomethyl]amino]acetic acid (phenylmethyl) ester
SMILES: CC1=CC(=CC=C1)NC(=O)C2=C(NC=N2)C(=O)NCC(=O)OCC3=CC=CC=C3
Compound: 3-[[cyclopentyl-[[1-[(4-methoxyphenyl)methyl]-5-tetrazolyl]methyl]amino]methyl]-7-methyl-1H-quinolin-2-one
SMILES: CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC3=NN=NN3CC4=CC=C(C=C4)OC)C5CCCC5
Compound: LSM-19428
SMILES: CCOC(=O)C1C(C2=C(CC(CC2=O)(C)C)N=C1C)C3=CC4=C(C=C3)N(CCC4)C
Compound: 6-(butan-2-ylthio)-1-(3,4-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one
SMILES: CCC(C)SC1=NC(=O)C2=CNN(C2=N1)C3=CC(=C(C=C3)C)C
Compound: 2-[[2-cyano-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(=CC3=CC(=C(C=C3)OC)OC)C#N
Compound: N-cyclohexyl-2-[(6-hydroxy-4-oxo-1-phenyl-2-pyrimidinyl)thio]acetamide
SMILES: C1CCC(CC1)NC(=O)CSC2=NC(=O)C=C(N2C3=CC=CC=C3)O
Compound: 4-bromo-N'-[(4-bromophenyl)-oxomethyl]-1-methyl-3-pyrazolecarbohydrazide
SMILES: CN1C=C(C(=N1)C(=O)NNC(=O)C2=CC=C(C=C2)Br)Br
Compound: 4-[(2-methoxy-1-oxoethyl)amino]benzoic acid ethyl ester
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=O)COC
Compound: 2-[4-(4-chlorophenyl)-2-thiazolyl]ethanethioamide
SMILES: C1=CC(=CC=C1C2=CSC(=N2)CC(=S)N)Cl
Compound: 2-[2-[5-[(3,4-dimethylanilino)-oxomethyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]propanoic acid ethyl ester
SMILES: CCOC(=O)C(C)OC1=CC=CC=C1C2C(=C(NC(=O)N2)C)C(=O)NC3=CC(=C(C=C3)C)C
Compound: N-tert-butyl-2-(2-furanyl)-2-[[2-[5-(5-methyl-2-furanyl)-2-tetrazolyl]-1-oxoethyl]-(thiophen-2-ylmethyl)amino]acetamide
SMILES: CC1=CC=C(O1)C2=NN(N=N2)CC(=O)N(CC3=CC=CS3)C(C4=CC=CO4)C(=O)NC(C)(C)C
Compound: LSM-19437
SMILES: C1C2C3C(C1C4C2C(=O)N(C4=O)CC(=O)O)SC5=C(C3C6=CC=C(C=C6)F)SC(=O)N5
Compound: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-fluorobenzamide
SMILES: C1COC2=C(O1)C=CC(=C2)CCNC(=O)C3=CC=CC=C3F
Compound: 6-(1,3-benzodioxol-5-ylmethylamino)-3-(2-methylphenyl)-1H-pyrimidine-2,4-dione
SMILES: CC1=CC=CC=C1N2C(=O)C=C(NC2=O)NCC3=CC4=C(C=C3)OCO4
Compound: 4-hydroxy-N-(2-methyl-4-oxo-3-quinazolinyl)-1-(2-methylpropyl)-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILES: CC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=C(C4=C(CCCC4)N(C3=O)CC(C)C)O
Compound: 2-[[[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methylamino]-oxomethyl]amino]benzoic acid methyl ester
SMILES: CCN1C(=C(C(=N1)C)CNC(=O)NC2=CC=CC=C2C(=O)OC)C
Compound: 2-cyano-N-(2-furanylmethyl)-2-[3-(4-morpholinyl)-2-quinoxalinyl]acetamide
SMILES: C1COCCN1C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)NCC4=CC=CO4
Compound: LSM-19443
SMILES: CC1(OC(=O)C(C(=O)O1)NN=C2C=CC(=O)C=C2)C
Compound: 2-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazin-4-one
SMILES: C1CCC2=C(C1)C3=C(S2)N=C(SC3=O)N
Compound: 5-nitro-2-(1-piperidinyl)pyridine
SMILES: C1CCN(CC1)C2=NC=C(C=C2)[N+](=O)[O-]
Compound: 3-(benzenesulfonyl)-N-(3-methylphenyl)-5-triazolo[1,5-a]quinazolinamine
SMILES: CC1=CC(=CC=C1)NC2=NC3=C(N=NN3C4=CC=CC=C42)S(=O)(=O)C5=CC=CC=C5
Compound: 7-[[5-(4-methoxyphenyl)-4-thieno[2,3-d]pyrimidinyl]oxy]-4-methyl-1-benzopyran-2-one
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)OC3=C4C(=CSC4=NC=N3)C5=CC=C(C=C5)OC
Compound: LSM-19448
SMILES: C1CCCC2=C(CC1)C=C3C(=C(SC3=N2)C(=O)N4CCCC4)N
Compound: N-(2-bromo-4-methylphenyl)-5-ethyl-3-thiophenecarboxamide
SMILES: CCC1=CC(=CS1)C(=O)NC2=C(C=C(C=C2)C)Br
Compound: 5-(2,4-dichlorophenyl)-N-(2-methylphenyl)-2-furancarboxamide
SMILES: CC1=CC=CC=C1NC(=O)C2=CC=C(O2)C3=C(C=C(C=C3)Cl)Cl
Compound: N-[4-(4-oxo-2,3-dihydro-1,3-benzoxazin-2-yl)phenyl]acetamide
SMILES: CC(=O)NC1=CC=C(C=C1)C2NC(=O)C3=CC=CC=C3O2
Compound: N-[3-(diethylamino)propyl]-6-(4-fluorophenyl)-3-methyl-2-imidazo[2,1-b]thiazolecarboxamide
SMILES: CCN(CC)CCCNC(=O)C1=C(N2C=C(N=C2S1)C3=CC=C(C=C3)F)C
Compound: 3-(4-methoxyanilino)-1-(3,4,5-trimethoxyphenyl)-2-propen-1-one
SMILES: COC1=CC=C(C=C1)NC=CC(=O)C2=CC(=C(C(=C2)OC)OC)OC
Compound: 6-[2-(2-methoxyphenyl)imino-3-(2-oxolanylmethyl)-4-thiazolyl]-4H-1,4-benzoxazin-3-one
SMILES: COC1=CC=CC=C1N=C2N(C(=CS2)C3=CC4=C(C=C3)OCC(=O)N4)CC5CCCO5