MonarchInit/C3PO huggingface dataset:
Compound: 1-[1-(3-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl]-4-piperidinecarboxamide
SMILES: C1CN(CCC1C(=O)N)C2CC(=O)N(C2=O)C3=CC(=CC=C3)F
Compound: 2-thiophen-2-yl-N-(thiophen-2-ylmethyl)-4-quinazolinamine
SMILES: C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=CS3)NCC4=CC=CS4
Compound: N-(4-ethylphenyl)-2-[[3-[3-(4-methyl-1-piperidinyl)propyl]-4-oxo-2-quinazolinyl]thio]acetamide
SMILES: CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCN4CCC(CC4)C
Compound: 2-(2-bromophenyl)-2,3-dihydro-1H-perimidine
SMILES: C1=CC=C(C(=C1)C2NC3=CC=CC4=C3C(=CC=C4)N2)Br
Compound: 1-[(2-chlorophenyl)methylideneamino]-3-[2-chloro-5-(trifluoromethyl)phenyl]thiourea
SMILES: C1=CC=C(C(=C1)C=NNC(=S)NC2=C(C=CC(=C2)C(F)(F)F)Cl)Cl
Compound: 1-(2,4-dinitroanilino)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione
SMILES: CC(C)OC1=CC=C(C=C1)C2CC(=O)N(C2=O)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]
Compound: 4-[(4-fluorophenyl)-(6-hydroxy-2-methyl-5-thiazolo[3,2-b][1,2,4]triazolyl)methyl]-1-piperazinecarboxylic acid ethyl ester
SMILES: CCOC(=O)N1CCN(CC1)C(C2=CC=C(C=C2)F)C3=C(N4C(=NC(=N4)C)S3)O
Compound: 6-bromo-2-(1-pyrrolidinyl)-1,3-benzothiazole
SMILES: C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)Br
Compound: 5-[(3-hydroxypropylamino)methylidene]-1-(phenylmethyl)-1,3-diazinane-2,4,6-trione
SMILES: C1=CC=C(C=C1)CN2C(=O)C(=CNCCCO)C(=O)NC2=O
Compound: 1-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]-4-piperidinecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C3
Compound: 4-[(2-methylanilino)methylidene]-2-(2-thiazolyl)isoquinoline-1,3-dione
SMILES: CC1=CC=CC=C1NC=C2C3=CC=CC=C3C(=O)N(C2=O)C4=NC=CS4
Compound: 1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-furanylmethyl)-3-(2-oxolanylmethyl)thiourea
SMILES: CC1=C2C=C(C(=O)NC2=C(C=C1)C)CN(CC3=CC=CO3)C(=S)NCC4CCCO4
Compound: N-[(R)-[(1R,2R)-2-butylcyclopropyl]-(4-chlorophenyl)methyl]-2-thiophenecarboxamide
SMILES: CCCC[C@@H]1C[C@H]1[C@H](C2=CC=C(C=C2)Cl)NC(=O)C3=CC=CS3
Compound: 1-[2-(2-methylphenoxy)ethyl]-3-phenylthiourea
SMILES: CC1=CC=CC=C1OCCNC(=S)NC2=CC=CC=C2
Compound: N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-4,6-diphenyl-2-pyrimidinecarboxamide
SMILES: COC1=C(C=C(C=C1)C=NNC(=O)C2=NC(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)O
Compound: 1-[[(1,5-dimethyl-3-pyrazolyl)-oxomethyl]amino]-3-(2-methoxyphenyl)thiourea
SMILES: CC1=CC(=NN1C)C(=O)NNC(=S)NC2=CC=CC=C2OC
Compound: LSM-18426
SMILES: C1CSC2=NC3=C(C(=O)N21)N(C4=CC=CC=C43)CC(=O)NC5=CC=CC=C5C(F)(F)F
Compound: 3-nitro-N-(6-quinoxalinylmethylideneamino)benzamide
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NN=CC2=CC3=NC=CN=C3C=C2
Compound: 5-[2-furanyl(4-morpholinyl)methyl]-6-thiazolo[3,2-b][1,2,4]triazolol
SMILES: C1COCCN1C(C2=CC=CO2)C3=C(N4C(=NC=N4)S3)O
Compound: 2-(4-fluorophenyl)-4-quinolinecarboxylic acid [2-oxo-2-(2-oxolanylmethylamino)ethyl] ester
SMILES: C1CC(OC1)CNC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)F
Compound: 2-[[[4-[(2,6-dimethyl-4-morpholinyl)sulfonyl]phenyl]-oxomethyl]amino]-3-thiophenecarboxamide
SMILES: CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=CS3)C(=O)N
Compound: 6-(4-morpholinyl)-3-(2-phenylethyl)-2-sulfanylidene-1H-quinazolin-4-one
SMILES: C1COCCN1C2=CC3=C(C=C2)NC(=S)N(C3=O)CCC4=CC=CC=C4
Compound: 1-[(2-methoxyphenyl)-[1-(2-phenylethyl)-5-tetrazolyl]methyl]-4-phenylpiperazine
SMILES: COC1=CC=CC=C1C(C2=NN=NN2CCC3=CC=CC=C3)N4CCN(CC4)C5=CC=CC=C5
Compound: 5-amino-4-[4-(4-chlorophenyl)-2-thiazolyl]-1-pentyl-2H-pyrrol-3-one
SMILES: CCCCCN1CC(=O)C(=C1N)C2=NC(=CS2)C3=CC=C(C=C3)Cl
Compound: LSM-18434
SMILES: C1COCCN1CCN2C=NC3=C(C2=N)C(C4=C(O3)C=CC5=CC=CC=C54)C6=CC=CC=C6
Compound: N-(2-furanylmethyl)-5-(3-methoxyphenyl)-3-isoxazolecarboxamide
SMILES: COC1=CC=CC(=C1)C2=CC(=NO2)C(=O)NCC3=CC=CO3
Compound: 2-[[6-(4-ethylphenyl)-3-pyridazinyl]thio]-N-(2-oxolanylmethyl)acetamide
SMILES: CCC1=CC=C(C=C1)C2=NN=C(C=C2)SCC(=O)NCC3CCCO3
Compound: 2-[4-(2-methoxyphenyl)-1-piperazinyl]-N-[4-(1-tetrazolyl)phenyl]acetamide
SMILES: COC1=CC=CC=C1N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)N4C=NN=N4
Compound: N-(2-oxolanylmethyl)-5H-indazolo[2,3-a][3,1]benzoxazine-9-carboxamide
SMILES: C1CC(OC1)CNC(=O)C2=CC3=NN4C5=CC=CC=C5COC4=C3C=C2
Compound: 1-[[2-(1,2-benzoxazol-3-yl)-1-oxoethyl]amino]-3-(4-chlorophenyl)thiourea
SMILES: C1=CC=C2C(=C1)C(=NO2)CC(=O)NNC(=S)NC3=CC=C(C=C3)Cl
Compound: 2-[(4-nitrophenyl)methylthio]-1,3-benzoxazole
SMILES: C1=CC=C2C(=C1)N=C(O2)SCC3=CC=C(C=C3)[N+](=O)[O-]
Compound: (1,3-benzoxazol-2-ylthio)formic acid hexyl ester
SMILES: CCCCCCOC(=O)SC1=NC2=CC=CC=C2O1
Compound: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILES: COC1=CC=C(C=C1)C2=CC=NC3=NC(=NN23)SC4=C(C=C(C=N4)C(F)(F)F)Cl
Compound: 3-(2-chloro-6-methyl-3-quinolinyl)-1-(2-furanyl)-2-propen-1-one
SMILES: CC1=CC2=CC(=C(N=C2C=C1)Cl)C=CC(=O)C3=CC=CO3
Compound: 2-[[2-[[4-hydroxy-6-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]thio]-1-oxoethyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(N=C(S1)NC(=O)CSC2=NC(=C(C(=O)N2)CC3=CC=CC=C3)O)C
Compound: 2-[(2,4-dimethoxyphenyl)methylideneamino]-1-nitroguanidine
SMILES: COC1=CC(=C(C=C1)C=NN=C(N)N[N+](=O)[O-])OC
Compound: 2-[2-(dimethylamino)ethenyl]-3-nitro-1-phenyl-6-indolol
SMILES: CN(C)C=CC1=C(C2=C(N1C3=CC=CC=C3)C=C(C=C2)O)[N+](=O)[O-]
Compound: 1-[(4-chlorophenyl)-oxomethyl]-5-hydroxy-5-phenyl-4H-pyrazole-3-carboxylic acid methyl ester
SMILES: COC(=O)C1=NN(C(C1)(C2=CC=CC=C2)O)C(=O)C3=CC=C(C=C3)Cl
Compound: N-[2-(1-naphthalenyl)-1,3-benzoxazol-5-yl]-1H-1,2,4-triazole-5-carboxamide
SMILES: C1=CC=C2C(=C1)C=CC=C2C3=NC4=C(O3)C=CC(=C4)NC(=O)C5=NC=NN5
Compound: 1-(1,2,3-benzothiadiazol-5-yl)-3-(1-naphthalenyl)urea
SMILES: C1=CC=C2C(=C1)C=CC=C2NC(=O)NC3=CC4=C(C=C3)SN=N4
Compound: 4-[(7-methoxy-1,3-benzodioxol-5-yl)methylidene]-2-(prop-2-enylthio)-5-thiazolone
SMILES: COC1=CC(=CC2=C1OCO2)C=C3C(=O)SC(=N3)SCC=C
Compound: 2-chloro-5-[2-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methylidene]hydrazinyl]benzoic acid
SMILES: CC1=NN(C(=C1C=NNC2=CC(=C(C=C2)Cl)C(=O)O)Cl)C3=CC=CC=C3
Compound: LSM-18452
SMILES: COC1=CC=CC=C1NC(=O)CN2C3=C(C=C(C=C3)F)C4=C2C(=O)N5CCSC5=N4
Compound: 2-[3-oxo-1-[[[oxo(thiophen-2-yl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid propan-2-yl ester
SMILES: CC(C)OC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=CS2
Compound: 3-(4-methoxyphenyl)-N-[[4-(2-pyridinyl)-1-piperazinyl]-sulfanylidenemethyl]-2-propenamide
SMILES: COC1=CC=C(C=C1)C=CC(=O)NC(=S)N2CCN(CC2)C3=CC=CC=N3
Compound: acetic acid [4-[acetyl-(4-chlorophenyl)sulfonylamino]-1-naphthalenyl] ester
SMILES: CC(=O)N(C1=CC=C(C2=CC=CC=C21)OC(=O)C)S(=O)(=O)C3=CC=C(C=C3)Cl
Compound: 3-[3-(butylthio)-4-methyl-1H-1,2,4-triazol-5-ylidene]indole
SMILES: CCCCSC1=NNC(=C2C=NC3=CC=CC=C32)N1C
Compound: 2-chloro-4,5-difluoro-N-(5-methyl-2-pyridinyl)benzamide
SMILES: CC1=CN=C(C=C1)NC(=O)C2=CC(=C(C=C2Cl)F)F
Compound: N-(2-methoxy-3-dibenzofuranyl)-3-pyridinecarboxamide
SMILES: COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)C4=CN=CC=C4
Compound: N'-[(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]cyclopropanecarbohydrazide
SMILES: C1CC1C(=O)NNC=C2C=C(C=CC2=O)[N+](=O)[O-]
Compound: 1-(tert-butylamino)-3-[3-(trifluoromethyl)phenyl]thiourea
SMILES: CC(C)(C)NNC(=S)NC1=CC=CC(=C1)C(F)(F)F
Compound: 5-(3-chlorophenyl)-N-(2-propyl-5-tetrazolyl)-2-furancarboxamide
SMILES: CCCN1N=C(N=N1)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)Cl
Compound: 2-(4-nitrophenyl)-4-thiazolecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=CSC(=N1)C2=CC=C(C=C2)[N+](=O)[O-]
Compound: N-cyclohexyl-2-(methylthio)-1,3-benzothiazole-6-sulfonamide
SMILES: CSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC3CCCCC3
Compound: 3-methyl-N-[2-(4-morpholinyl)ethyl]-1-phenyl-5-thieno[2,3-c]pyrazolecarboxamide
SMILES: CC1=NN(C2=C1C=C(S2)C(=O)NCCN3CCOCC3)C4=CC=CC=C4
Compound: 1-(3-chlorophenyl)-3-[[2-(4-methylphenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]thiourea
SMILES: CC1=CC=C(C=C1)N2C(=O)C3C4C=CC(C3C2=O)(O4)CNC(=S)NC5=CC(=CC=C5)Cl
Compound: N-(2-furanylmethylideneamino)-2-[(1-oxo-2-phenoxyethyl)amino]acetamide
SMILES: C1=CC=C(C=C1)OCC(=O)NCC(=O)NN=CC2=CC=CO2
Compound: N-[(1,2-dihydroacenaphthylen-5-ylamino)-sulfanylidenemethyl]-2-phenoxyacetamide
SMILES: C1CC2=CC=CC3=C(C=CC1=C23)NC(=S)NC(=O)COC4=CC=CC=C4
Compound: (3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolyl)-(3-methyl-1-pyrazolyl)methanone
SMILES: CC1=NN(C=C1)C(=O)C2=CC3=C(S2)N(N=C3C)C4=CC=CC=C4
Compound: 2-[[3-(2-methoxyethyl)-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]thio]-N-(2-oxolanylmethyl)acetamide
SMILES: CC1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)NCC3CCCO3)CCOC
Compound: 1-[[1-oxo-3-(4-propan-2-yloxyphenyl)propyl]amino]-3-(phenylmethyl)thiourea
SMILES: CC(C)OC1=CC=C(C=C1)CCC(=O)NNC(=S)NCC2=CC=CC=C2
Compound: 4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]hydrazinylidene]methyl]benzoic acid
SMILES: CC(C)(C)OC(=O)NN=CC1=CC=C(C=C1)C(=O)O
Compound: 7,9-dimethyl-9aH-quinolizine-1,2,3,4-tetracarboxylic acid tetramethyl ester
SMILES: CC1=CC(=CN2C1C(=C(C(=C2C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C
Compound: 6-methyl-2-[(4-methyl-6-phenyl-2-pyrimidinyl)amino]-1H-quinazolin-4-one
SMILES: CC1=CC2=C(C=C1)NC(=NC2=O)NC3=NC(=CC(=N3)C)C4=CC=CC=C4
Compound: N-(4-bromophenyl)-5-tert-butyl-2-methyl-4-nitro-3-pyrazolecarboxamide
SMILES: CC(C)(C)C1=NN(C(=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)Br)C
Compound: N'-(1,3-benzodioxol-5-ylmethyl)-N'-[2-(cyclopentylamino)-2-oxoethyl]-N-(5-methyl-3-isoxazolyl)butanediamide
SMILES: CC1=CC(=NO1)NC(=O)CCC(=O)N(CC2=CC3=C(C=C2)OCO3)CC(=O)NC4CCCC4
Compound: 2-[(1-methyl-3-indolyl)thio]-N-(2-thiazolyl)acetamide
SMILES: CN1C=C(C2=CC=CC=C21)SCC(=O)NC3=NC=CS3
Compound: N-[(5-quinolinylamino)-sulfanylidenemethyl]benzamide
SMILES: C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC3=C2C=CC=N3
Compound: 3-(5-cycloheptylidene-4-oxo-2-sulfanylidene-3-thiazolidinyl)propanoic acid
SMILES: C1CCCC(=C2C(=O)N(C(=S)S2)CCC(=O)O)CC1
Compound: [1-[5-(3-methylbutoxymethyl)-2-oxo-3-oxolanyl]propan-2-ylideneamino]thiourea
SMILES: CC(C)CCOCC1CC(C(=O)O1)CC(=NNC(=S)N)C
Compound: 5-anilino-3-oxo-4-isothiazolecarbonitrile
SMILES: C1=CC=C(C=C1)NC2=C(C(=O)NS2)C#N
Compound: N-[2-(1-methyl-2-pyrrolidinyl)ethyl]-2-adamantanamine
SMILES: CN1CCCC1CCNC2C3CC4CC2CC(C3)C4
Compound: 3-acetyl-7-methoxy-1-benzopyran-2-one
SMILES: CC(=O)C1=CC2=C(C=C(C=C2)OC)OC1=O
Compound: 2-[3-[(1-oxo-2-thiazolo[3,2-a]benzimidazolylidene)methyl]-1-indolyl]acetic acid
SMILES: C1=CC=C2C(=C1)C(=CN2CC(=O)O)C=C3C(=O)N4C5=CC=CC=C5N=C4S3
Compound: 4-[5-(2-phenylethyl)-2-sulfanylidene-1,3,5-triazinan-1-yl]benzoic acid ethyl ester
SMILES: CCOC(=O)C1=CC=C(C=C1)N2CN(CNC2=S)CCC3=CC=CC=C3
Compound: 5-[(3,4-dimethoxyphenyl)-[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-2-methyl-6-thiazolo[3,2-b][1,2,4]triazolol
SMILES: CC1=NN2C(=C(SC2=N1)C(C3=CC(=C(C=C3)OC)OC)N4CCN(CC4)CCO)O
Compound: 4-chloro-N-(3,4-dimethoxyphenyl)-1-ethyl-3-pyrazolecarboxamide
SMILES: CCN1C=C(C(=N1)C(=O)NC2=CC(=C(C=C2)OC)OC)Cl
Compound: N-(3-chloro-4-fluorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide
SMILES: CCNC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NCC(=O)NC2=CC(=C(C=C2)F)Cl
Compound: 3-[4-[(2-hydroxy-5-phenylphenyl)methyl]-1-piperazinyl]propanenitrile
SMILES: C1CN(CCN1CCC#N)CC2=C(C=CC(=C2)C3=CC=CC=C3)O
Compound: 3-hydroxy-2-naphthalenecarboxylic acid [2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl] ester
SMILES: CC1CC(CN(C1)C(=O)COC(=O)C2=CC3=CC=CC=C3C=C2O)C
Compound: 1-(3,4-dichlorophenyl)-3-[diethoxyphosphoryl(phenyl)methyl]urea
SMILES: CCOP(=O)(C(C1=CC=CC=C1)NC(=O)NC2=CC(=C(C=C2)Cl)Cl)OCC
Compound: N-[[amino(2-pyrazinyl)methylidene]amino]-4-chlorobenzamide
SMILES: C1=CC(=CC=C1C(=O)NN=C(C2=NC=CN=C2)N)Cl
Compound: [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[2-(4-propan-2-ylphenyl)-4-quinolinyl]methanone
SMILES: CC(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4C(CC(=N4)C(F)F)(C(F)F)O
Compound: N-[2-methyl-5-(2-oxazolo[4,5-b]pyridinyl)phenyl]-2-phenoxyacetamide
SMILES: CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC=N3)NC(=O)COC4=CC=CC=C4
Compound: 6-amino-1-(2-methoxyethyl)-N-(4-methylphenyl)sulfonyl-2,4-dioxo-5-pyrimidinecarboxamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=C(N(C(=O)NC2=O)CCOC)N
Compound: 4-[(4-chlorophenyl)methylamino]-3-nitro-1-benzopyran-2-one
SMILES: C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])NCC3=CC=C(C=C3)Cl
Compound: 3-(4-chlorophenyl)-3-oxo-2-(phenylhydrazinylidene)propanal
SMILES: C1=CC=C(C=C1)NN=C(C=O)C(=O)C2=CC=C(C=C2)Cl
Compound: 5-methyl-2-[2-(thiophen-2-ylmethylidene)hydrazinyl]-4-thiazolone
SMILES: CC1C(=O)N=C(S1)NN=CC2=CC=CS2
Compound: 3-phenyl-2-propenoic acid 8-quinolinyl ester
SMILES: C1=CC=C(C=C1)C=CC(=O)OC2=CC=CC3=C2N=CC=C3
Compound: 2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]thio]acetic acid ethyl ester
SMILES: CCOC(=O)CSC1=NC(=NS1)C2=CC=C(C=C2)OC
Compound: LSM-18500
SMILES: CC1=C(C(=CC=C1)C)NC(=O)CSC2=[NH+]C=NC3=C2NC=N3
Compound: N-[(2-methoxyphenyl)methylideneamino]-4-[(2-oxo-1-benzo[cd]indolyl)methyl]benzamide
SMILES: COC1=CC=CC=C1C=NNC(=O)C2=CC=C(C=C2)CN3C4=CC=CC5=C4C(=CC=C5)C3=O
Compound: 2-amino-4-(3-ethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)-5,6-dihydro-1H-benzo[h]quinoline-3-carbonitrile
SMILES: CCOC1=CC(=C2C3=C(C4=CC=CC=C4CC3)NC(=C2C#N)N)C=CC1=O
Compound: 7-(diethylaminomethyl)-1-(4-methoxyphenyl)-2-methyl-3-nitro-6-indolol
SMILES: CCN(CC)CC1=C(C=CC2=C1N(C(=C2[N+](=O)[O-])C)C3=CC=C(C=C3)OC)O
Compound: 2-(2-furanyl)-4-quinolinecarboxylic acid [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxo-5-pyrimidinyl]-2-oxoethyl] ester
SMILES: CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CO4)N
Compound: 4-[(4-carboxy-2,6-dimethoxyphenoxy)methyl]-5-methyl-2-furancarboxylic acid
SMILES: CC1=C(C=C(O1)C(=O)O)COC2=C(C=C(C=C2OC)C(=O)O)OC
Compound: N-butyl-N-phenyl-8-quinolinesulfonamide
SMILES: CCCCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC3=C2N=CC=C3
Compound: N-butan-2-yl-4-[4-oxo-3-(phenylmethyl)-2-thiazolidinyl]benzamide
SMILES: CCC(C)NC(=O)C1=CC=C(C=C1)C2N(C(=O)CS2)CC3=CC=CC=C3
Compound: 6-methyl-N-(2-pyridinylmethylideneamino)-3-pyridinecarboxamide
SMILES: CC1=NC=C(C=C1)C(=O)NN=CC2=CC=CC=N2
Compound: 5-[[1-(4-nitrophenyl)-2-pyrrolyl]methylidene]-2-sulfanylidene-4-imidazolidinone
SMILES: C1=CN(C(=C1)C=C2C(=O)NC(=S)N2)C3=CC=C(C=C3)[N+](=O)[O-]
Compound: 3-imino-2-benzo[f][1]benzopyrancarbothioamide
SMILES: C1=CC=C2C(=C1)C=CC3=C2C=C(C(=N)O3)C(=S)N
Compound: N2-(2-furanylmethyl)-5-nitro-6-(1-pyrrolidinyl)pyrimidine-2,4-diamine
SMILES: C1CCN(C1)C2=C(C(=NC(=N2)NCC3=CC=CO3)N)[N+](=O)[O-]
Compound: N-[(tert-butylamino)-oxomethyl]-2-[4-(4-hydroxyphenyl)-1-piperazinyl]acetamide
SMILES: CC(C)(C)NC(=O)NC(=O)CN1CCN(CC1)C2=CC=C(C=C2)O
Compound: 2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid [2-(4-chloro-3-nitroanilino)-2-oxoethyl] ester
SMILES: C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)NC4=CC(=C(C=C4)Cl)[N+](=O)[O-]
Compound: 2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]acetic acid [2-[5-(4-chlorophenyl)-3-(2-furanyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester
SMILES: COC1=C(C=C(C=C1)C(=O)NCC(=O)OCC(=O)N2C(CC(=N2)C3=CC=C(C=C3)Cl)C4=CC=CO4)OC
Compound: 1-(4-ethylphenyl)-3-[1-(phenylmethyl)-4-piperidinyl]thiourea
SMILES: CCC1=CC=C(C=C1)NC(=S)NC2CCN(CC2)CC3=CC=CC=C3
Compound: 6-bromo-3-[4-oxo-4-[4-(2-pyridinyl)-1-piperazinyl]butyl]-2-sulfanylidene-1H-quinazolin-4-one
SMILES: C1CN(CCN1C2=CC=CC=N2)C(=O)CCCN3C(=O)C4=C(C=CC(=C4)Br)NC3=S
Compound: 4-(1,3-benzodioxol-5-yl)-6-[[2-(4-chlorophenyl)ethylamino]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)CNCCC4=CC=C(C=C4)Cl
Compound: LSM-18518
SMILES: CC1CC(N2C3=C(C=C(C=C13)C)C4(C2=O)N(C(=O)CS4)C5=CC=C(C=C5)F)(C)C
Compound: 2,3,4,5-tetrafluoro-6-(3-methoxyanilino)benzoic acid
SMILES: COC1=CC=CC(=C1)NC2=C(C(=C(C(=C2F)F)F)F)C(=O)O
Compound: N'-[(3,5-dimethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2-(2-furanyl)-4-quinolinecarbohydrazide
SMILES: COC1=CC(=CNNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CO4)C=C(C1=O)OC
Compound: 1-(2-methoxy-5-methylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
SMILES: CC1=CC(=C(C=C1)OC)NC(=O)NC2CCCC3=CC=CC=C23
Compound: 6-methyl-2-[(3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(SC2=C1CCN(C2)C)NC=C3C=C(C=CC3=O)C
Compound: 5-amino-3-(4-methoxyphenyl)-7-methyl-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid methyl ester
SMILES: CC1=C2C(=C(S1)N)C(=O)N(N=C2C(=O)OC)C3=CC=C(C=C3)OC
Compound: 1-(4-methyl-3-nitrophenyl)-3-[(4-methylphenyl)methyl]thiourea
SMILES: CC1=CC=C(C=C1)CNC(=S)NC2=CC(=C(C=C2)C)[N+](=O)[O-]
Compound: (1R,5S)-6-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-6-azabicyclo[3.2.1]octane
SMILES: COC1=CC(=C(C=C1)C2=C(C=NN2)CN3C[C@@H]4CCC[C@H]3C4)F
Compound: N-[4-(4-acetyl-1-piperazinyl)-3-chlorophenyl]-2-furancarboxamide
SMILES: CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=CO3)Cl
Compound: 2-fluoro-N-(2-hydroxyethyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
SMILES: COC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCO)C(=O)C3=CC=CC=C3F
Compound: 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(6-methyl-2-pyridinyl)methyl]-3-isoxazolecarboxamide
SMILES: CC1=NC(=CC=C1)CNC(=O)C2=NOC(=C2)COC3=C(C=C(C=C3)OC)Cl
Compound: 2-[4-(2-pyrimidinyl)-1-piperazinyl]quinoline
SMILES: C1CN(CCN1C2=NC3=CC=CC=C3C=C2)C4=NC=CC=N4
Compound: 2-[4-(2-hydroxyphenyl)-1-piperazinyl]-N-(5-methyl-3-isoxazolyl)acetamide
SMILES: CC1=CC(=NO1)NC(=O)CN2CCN(CC2)C3=CC=CC=C3O
Compound: 1-butyl-3-[(3-methyl-2-thiophenyl)methylideneamino]thiourea
SMILES: CCCCNC(=S)NN=CC1=C(C=CS1)C
Compound: 7-anilino-3-(4-bromophenyl)-5-(4-morpholinyl)-1,4-thiazepine-6-carbonitrile
SMILES: C1COCCN1C2=NC(=CSC(=C2C#N)NC3=CC=CC=C3)C4=CC=C(C=C4)Br
Compound: 4-(6-chloro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-(phenylmethyl)butanamide
SMILES: CC1CN(C2=C(O1)C=CC(=C2)Cl)C(=O)CCC(=O)NCC3=CC=CC=C3
Compound: 1-[5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
SMILES: CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)OC)C3=CC=CC=C3
Compound: 3-[1-(carboxymethyl)-5-phenyl-2-pyrrolyl]propanoic acid
SMILES: C1=CC=C(C=C1)C2=CC=C(N2CC(=O)O)CCC(=O)O
Compound: 8-bromo-6-ethyl-N-(2-oxolanylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide
SMILES: CCC1=NC2=C(C=CC(=C2)C(=O)NCC3CCCO3)SC4=C1C=C(C=C4)Br
Compound: N-(2,4-dimethoxyphenyl)-3-(6-methyl-1H-benzimidazol-2-yl)-1-piperidinecarbothioamide
SMILES: CC1=CC2=C(C=C1)N=C(N2)C3CCCN(C3)C(=S)NC4=C(C=C(C=C4)OC)OC
Compound: acetic acid (4-oxo-3-phenyl-1-benzopyran-7-yl) ester
SMILES: CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=CC=C3
Compound: N-(cyclohexylmethylideneamino)-1H-benzimidazol-2-amine
SMILES: C1CCC(CC1)C=NNC2=NC3=CC=CC=C3N2
Compound: 4-[(1-naphthalenylamino)-oxomethyl]benzene-1,3-dicarboxylic acid
SMILES: C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=C(C=C(C=C3)C(=O)O)C(=O)O
Compound: 4-(2,4-dimethylphenyl)-2H-phthalazin-1-one
SMILES: CC1=CC(=C(C=C1)C2=NNC(=O)C3=CC=CC=C32)C
Compound: N-(1-tert-butyl-5-benzimidazolyl)-2-thiophenecarboxamide
SMILES: CC(C)(C)N1C=NC2=C1C=CC(=C2)NC(=O)C3=CC=CS3
Compound: 8-methoxy-N-methyl-2-oxo-1-benzopyran-3-carboxamide
SMILES: CNC(=O)C1=CC2=C(C(=CC=C2)OC)OC1=O
Compound: 4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-imidazo[1,2-a]pyrimidinyl]phenol
SMILES: C1COC2=C(O1)C=CC(=C2)NC3=C(N=C4N3C=CC=N4)C5=CC=C(C=C5)O
Compound: 4-hydroxybenzoic acid [2-oxo-3-(1,3,3-trimethyl-2-indolylidene)propyl] ester
SMILES: CC1(C2=CC=CC=C2N(C1=CC(=O)COC(=O)C3=CC=C(C=C3)O)C)C
Compound: N-[(2-fluorophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILES: C1CCC2=C(C1)C(=CS2)C(=O)NN=CC3=CC=CC=C3F
Compound: 4-[(2-ethyl-1-oxobutyl)amino]benzoic acid ethyl ester
SMILES: CCC(CC)C(=O)NC1=CC=C(C=C1)C(=O)OCC
Compound: 2,4-bis(4-methoxyphenyl)-4-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepine
SMILES: CC1(CC(NC2=CC=CC=C2N1)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC
Compound: 5-(4-chlorophenyl)-3-[(5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-4-thieno[2,3-d]pyrimidinone
SMILES: C1=CC(=CNN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)Cl)C(=O)C(=C1)[N+](=O)[O-]
Compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-5-(1-piperidinylmethyl)-4-triazolecarboxamide
SMILES: CC1=CC(=CC=C1)COC2=CC=C(C=C2)C=NNC(=O)C3=C(N(N=N3)C4=NON=C4N)CN5CCCCC5
Compound: 3-(4-methoxyphenyl)-N-[[[oxo(pyridin-4-yl)methyl]hydrazo]-sulfanylidenemethyl]-1-phenyl-4-pyrazolecarboxamide
SMILES: COC1=CC=C(C=C1)C2=NN(C=C2C(=O)NC(=S)NNC(=O)C3=CC=NC=C3)C4=CC=CC=C4
Compound: [[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-(2-fluorophenyl)methanol
SMILES: CC(C)COP(=O)(C1=CC=C(C=C1)N(C)C)C(C2=CC=CC=C2F)O
Compound: 6-amino-4-(3-chlorophenyl)-3-methyl-1-(phenylmethyl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile
SMILES: CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC(=CC=C3)Cl)CC4=CC=CC=C4
Compound: LSM-18554
SMILES: CCC1=CC=C(C=C1)N(CC)C2=[NH+]C=NC3=C2NC=N3
Compound: 4-[[3-oxo-3-(3-pyridinyl)prop-1-enyl]amino]-N-(2-quinoxalinyl)benzenesulfonamide
SMILES: C1=CC=C2C(=C1)N=CC(=N2)NS(=O)(=O)C3=CC=C(C=C3)NC=CC(=O)C4=CN=CC=C4
Compound: LSM-18556
SMILES: CCC12CCCN3C1C4=C(CC3)C5=CC=CC=C5N4C(C2)(C(=O)OC)O
Compound: 2-(4-benzoylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
SMILES: CC(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C(C)OC2=CC=C(C=C2)C(=O)C3=CC=CC=C3
Compound: 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio]-N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]acetamide
SMILES: CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC4=C(CCCCC4)C=C3C#N
Compound: 5-(1-ethyl-2-quinolinylidene)-3-methyl-1-phenyl-2-sulfanylidene-4-imidazolidinone
SMILES: CCN1C(=C2C(=O)N(C(=S)N2C3=CC=CC=C3)C)C=CC4=CC=CC=C41
Compound: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N'-[2-(2-ethoxyphenoxy)-1-oxoethyl]acetohydrazide
SMILES: CCOC1=CC=CC=C1OCC(=O)NNC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C
Compound: 4-[2-[5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]ethyl]benzenesulfonamide
SMILES: C1=CC(=CC=C1CCN2C(=O)C(=CC3=CC=C(C=C3)Cl)SC2=S)S(=O)(=O)N
Compound: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-2-[(1-ethyl-2-benzimidazolyl)thio]-N-methylacetamide
SMILES: CCN1C2=CC=CC=C2N=C1SCC(=O)N(C)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N
Compound: 5-bromo-2-methoxy-3-methyl-N-[4-(4-methylsulfonyl-1-piperazinyl)phenyl]benzamide
SMILES: CC1=C(C(=CC(=C1)Br)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)S(=O)(=O)C)OC
Compound: N-(3,7-dimethylocta-2,6-dienylideneamino)-4-nitrobenzamide
SMILES: CC(=CCCC(=CC=NNC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C)C
Compound: LSM-18565
SMILES: CC1(CC2=NC3=CC(=C(C=C3C(C2C(=O)C1)C4=CC5=C(C=C4)OCO5)OC)OC)C
Compound: N-(5-ethyl-4-phenyl-2-thiazolyl)-2-methoxyacetamide
SMILES: CCC1=C(N=C(S1)NC(=O)COC)C2=CC=CC=C2
Compound: N-(4-acetylphenyl)-2-[[3-(2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]acetamide
SMILES: CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN3C(=NN=C3C4=CC=CC=N4)C=C2
Compound: 4,5-dimethoxy-2-[(1-oxo-2-thiophen-2-ylethyl)amino]benzoic acid methyl ester
SMILES: COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CC2=CC=CS2)OC
Compound: N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]thio]ethyl]-2-oxo-1-benzopyran-3-carboxamide
SMILES: CC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)SCCNC(=O)C4=CC5=CC=CC=C5OC4=O
Compound: N-(4-acetylphenyl)-2-[(4-oxo-1H-quinazolin-2-yl)thio]butanamide
SMILES: CCC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NC(=O)C3=CC=CC=C3N2
Compound: 2-(2-furanyl)-5-(2-furanylmethylamino)-4-oxazolecarbonitrile
SMILES: C1=COC(=C1)CNC2=C(N=C(O2)C3=CC=CO3)C#N
Compound: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-hydroxy-4-methylphenyl)-2-propen-1-one
SMILES: CC1=CC(=C(C=C1)C(=O)C=CC2=CC3=C(C=C2)OCCO3)O
Compound: 1-(3,4-dimethoxyphenyl)-3-[(5-methyl-2-pyridinyl)imino]-1-propanone
SMILES: CC1=CN=C(C=C1)N=CCC(=O)C2=CC(=C(C=C2)OC)OC
Compound: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chloro-2-methylphenyl)thiourea
SMILES: CC1=C(C=CC=C1Cl)NC(=S)NCC2=CC3=C(C=C2)OCO3
Compound: 2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]thio]acetic acid butyl ester
SMILES: CCCCOC(=O)CSC1=NN=C(O1)C2=C(C=C(C=C2)Cl)Cl
Compound: N-(2-phenylethyl)-1,3-benzothiazol-2-amine
SMILES: C1=CC=C(C=C1)CCNC2=NC3=CC=CC=C3S2
Compound: 3-[[[3-(4-methoxyphenyl)phenyl]-oxomethyl]amino]benzoic acid
SMILES: COC1=CC=C(C=C1)C2=CC(=CC=C2)C(=O)NC3=CC=CC(=C3)C(=O)O
Compound: 4-[1-[(3,4-dichlorophenyl)methylamino]propylidene]-2-(2-furanyl)-5-oxazolone
SMILES: CCC(=C1C(=O)OC(=N1)C2=CC=CO2)NCC3=CC(=C(C=C3)Cl)Cl
Compound: N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-4-oxo-1-benzopyran-2-carboxamide
SMILES: CC1=C(C=C(C=C1)NC(=O)C2=CC(=O)C3=CC=CC=C3O2)S(=O)(=O)N4CCCCC4
Compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxo-3-quinazolinyl)acetamide
SMILES: C1COC2=C(O1)C=CC(=C2)NC(=O)CN3C=NC4=CC=CC=C4C3=O
Compound: 2-[benzenesulfonyl(2-pyridinyl)amino]acetic acid methyl ester
SMILES: COC(=O)CN(C1=CC=CC=N1)S(=O)(=O)C2=CC=CC=C2
Compound: 5-bromo-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-2-benzofurancarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC3=NN=C(S3)C
Compound: 4-phenyl-N-(3-pyridinyl)-2-thiazolamine
SMILES: C1=CC=C(C=C1)C2=CSC(=N2)NC3=CN=CC=C3
Compound: trans-dec-2-enoyl-CoA
SMILES: CCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: 3-[(4,6-dimethyl-2-pyrimidinyl)thio]-N,N-dimethylpropanamide
SMILES: CC1=CC(=NC(=N1)SCCC(=O)N(C)C)C
Compound: N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-(3-methylphenoxy)propanamide
SMILES: CC1=CC(=CC=C1)OCCC(=O)NCC(=O)NC2=CC=CC(=C2C)C
Compound: thiocyanic acid [4-[(2-chloro-1-oxoethyl)amino]-3,5-dimethylphenyl] ester
SMILES: CC1=CC(=CC(=C1NC(=O)CCl)C)SC#N
Compound: 2-[[(4-bromo-1-ethyl-3-pyrazolyl)-oxomethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester
SMILES: CCN1C=C(C(=N1)C(=O)NC2=C(C(=C(S2)C)C)C(=O)OCC)Br
Compound: 2-[2,4-dioxo-5-[(1,2,5-trimethyl-3-pyrrolyl)methylidene]-3-thiazolidinyl]-N-(4-methylphenyl)acetamide
SMILES: CC1=CC=C(C=C1)NC(=O)CN2C(=O)C(=CC3=C(N(C(=C3)C)C)C)SC2=O
Compound: N-ethyl-3-(1H-indol-3-yl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]propanamide
SMILES: CCN(CC(=O)NCC1=CC=CS1)C(=O)CCC2=CNC3=CC=CC=C32
Compound: (5-bromo-2-furanyl)-[2-[(3-methylphenyl)methylthio]-4,5-dihydroimidazol-1-yl]methanone
SMILES: CC1=CC(=CC=C1)CSC2=NCCN2C(=O)C3=CC=C(O3)Br
Compound: 4-[1-(4-bromophenyl)-2-nitroethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
SMILES: CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C[N+](=O)[O-])C3=CC=C(C=C3)Br
Compound: 3-acetamidobenzoic acid [2-(2-chlorophenyl)-2-oxoethyl] ester
SMILES: CC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)C2=CC=CC=C2Cl
Compound: N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide
SMILES: COC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=CS3)S(=O)(=O)C4=CC=CC5=NSN=C54
Compound: 2-[[[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-pyridinyl]thio]methyl]benzonitrile
SMILES: CC1=CC2=C(C=C1C)N=C(N2)C3=CN=C(C=C3)SCC4=CC=CC=C4C#N
Compound: N-(5-fluoro-2-methylphenyl)-1,3-benzodioxole-5-carboxamide
SMILES: CC1=C(C=C(C=C1)F)NC(=O)C2=CC3=C(C=C2)OCO3
Compound: 2-[[3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]acetic acid ethyl ester
SMILES: CCOC(=O)CNC(=O)C=CC1=CC2=C(C=C1)OCO2
Compound: 4-[[[[2-(3-pyridinyl)-1-piperidinyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester
SMILES: COC(=O)C1=CC=C(C=C1)NC(=S)NN2CCCCC2C3=CN=CC=C3
Compound: N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-thiophenecarboxamide
SMILES: CN(C)S(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CS3
Compound: N-(4-nitrophenyl)-2-(1-pyrrolidinyl)acetamide
SMILES: C1CCN(C1)CC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]
Compound: N,N-dimethylcarbamic acid [4-[2-(4-fluorophenyl)sulfonyl-1-oxoethyl]-2,6-dimethylphenyl] ester
SMILES: CC1=CC(=CC(=C1OC(=O)N(C)C)C)C(=O)CS(=O)(=O)C2=CC=C(C=C2)F
Compound: 2-(2-furanyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
SMILES: C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)C4=CC=CO4
Compound: 5-[2-(2-methoxyphenoxy)ethylthio]-1-(4-methylphenyl)tetrazole
SMILES: CC1=CC=C(C=C1)N2C(=NN=N2)SCCOC3=CC=CC=C3OC
Compound: 9-oxo-N-(3-pyridinylmethyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxamide
SMILES: C1COC2=C(O1)C=C3C(=C2)NC=C(C3=O)C(=O)NCC4=CN=CC=C4
Compound: N-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]cyclopropanecarboxamide
SMILES: C1CC1C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)S(=O)(=O)N
Compound: 2-ethoxy-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
SMILES: CCOC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3
Compound: 5-(4-methoxyphenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILES: COC1=CC=C(C=C1)C2=NC3=NC=NN3C(=C2)C4=CC=CC=C4
Compound: 2-[[(1-butyl-2-benzimidazolyl)amino]methyl]phenol
SMILES: CCCCN1C2=CC=CC=C2N=C1NCC3=CC=CC=C3O
Compound: 1-(4-fluorophenyl)-3-[[2-(4-methylphenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]thiourea
SMILES: CC1=CC=C(C=C1)N2C(=O)C3C4C=CC(C3C2=O)(O4)CNC(=S)NC5=CC=C(C=C5)F
Compound: 2-[2-oxo-2-(2,2,4,6-tetramethyl-1-quinolinyl)ethyl]isoindole-1,3-dione
SMILES: CC1=CC2=C(C=C1)N(C(C=C2C)(C)C)C(=O)CN3C(=O)C4=CC=CC=C4C3=O
Compound: 3-[4-[4-oxo-5-(thiophen-2-ylmethylidene)-2-thiazolyl]-1-piperazinyl]propanenitrile
SMILES: C1CN(CCN1CCC#N)C2=NC(=O)C(=CC3=CC=CS3)S2
Compound: 2-methyl-N-(2-pyridinylmethylideneamino)benzamide
SMILES: CC1=CC=CC=C1C(=O)NN=CC2=CC=CC=N2
Compound: N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[(phenylmethyl)amino]acetamide
SMILES: CN(C)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)CNCC2=CC=CC=C2)Cl
Compound: 3-(4-fluorophenyl)-N-[[[oxo(2-pyrazinyl)methyl]hydrazo]-sulfanylidenemethyl]-2-propenamide
SMILES: C1=CC(=CC=C1C=CC(=O)NC(=S)NNC(=O)C2=NC=CN=C2)F
Compound: N-(5,6-dimethyl-1-benzimidazolyl)-1-(5-nitro-2-furanyl)methanimine
SMILES: CC1=CC2=C(C=C1C)N(C=N2)N=CC3=CC=C(O3)[N+](=O)[O-]
Compound: 2-[(7-ethyl-1,3-dimethyl-2,6-dioxo-8-purinyl)thio]-N-(6-methyl-2-pyridinyl)acetamide
SMILES: CCN1C2=C(N=C1SCC(=O)NC3=CC=CC(=N3)C)N(C(=O)N(C2=O)C)C
Compound: 1-[2-[(3-cyano-7-methyl-2-quinolinyl)amino]ethyl]-3-[3-(4-morpholinyl)propyl]thiourea
SMILES: CC1=CC2=C(C=C1)C=C(C(=N2)NCCNC(=S)NCCCN3CCOCC3)C#N
Compound: [5-[(2-methoxyphenoxy)methyl]-3-isoxazolyl]-(4-methyl-3-phenyl-1-piperazinyl)methanone
SMILES: CN1CCN(CC1C2=CC=CC=C2)C(=O)C3=NOC(=C3)COC4=CC=CC=C4OC
Compound: N-(2-oxolanylmethyl)-2-[7-oxo-3-(phenylmethyl)-6-triazolo[4,5-d]pyrimidinyl]acetamide
SMILES: C1CC(OC1)CNC(=O)CN2C=NC3=C(C2=O)N=NN3CC4=CC=CC=C4
Compound: 4-(3-fluorophenyl)-2-thiazolamine
SMILES: C1=CC(=CC(=C1)F)C2=CSC(=N2)N
Compound: 3-(5-bromo-2-methoxyphenyl)-N-(3-pyridinylmethyl)-2-propenamide
SMILES: COC1=C(C=C(C=C1)Br)C=CC(=O)NCC2=CN=CC=C2
Compound: N-butyl-3-[1-[(2,5-dimethylphenyl)methyl]-2,4-dioxo-3-quinazolinyl]propanamide
SMILES: CCCCNC(=O)CCN1C(=O)C2=CC=CC=C2N(C1=O)CC3=C(C=CC(=C3)C)C
Compound: 2-[[2-[[5-(4-tert-butylphenyl)-2-methoxycarbonyl-3-thiophenyl]amino]-2-oxoethyl]thio]acetic acid
SMILES: CC(C)(C)C1=CC=C(C=C1)C2=CC(=C(S2)C(=O)OC)NC(=O)CSCC(=O)O
Compound: 4-[4-[(2-chlorophenyl)methyl]-1-piperazinyl]-1H-indole
SMILES: C1CN(CCN1CC2=CC=CC=C2Cl)C3=CC=CC4=C3C=CN4
Compound: 4-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC3=C2CCCC3
Compound: 6-hydroxy-5-[(6-hydroxy-1-methyl-4-oxo-2-sulfanylidene-5-pyrimidinyl)-(2-pyridinyl)methyl]-1-methyl-2-sulfanylidene-4-pyrimidinone
SMILES: CN1C(=C(C(=O)NC1=S)C(C2=CC=CC=N2)C3=C(N(C(=S)NC3=O)C)O)O
Compound: 2-cyclopentylacetic acid [2-[(3-chloro-9,10-dioxo-2-anthracenyl)amino]-2-oxoethyl] ester
SMILES: C1CCC(C1)CC(=O)OCC(=O)NC2=C(C=C3C(=C2)C(=O)C4=CC=CC=C4C3=O)Cl
Compound: N-(2-fluoro-5-methylphenyl)-3-phenylpropanamide
SMILES: CC1=CC(=C(C=C1)F)NC(=O)CCC2=CC=CC=C2
Compound: 2-(4-fluorophenyl)-8-methylindolizine
SMILES: CC1=CC=CN2C1=CC(=C2)C3=CC=C(C=C3)F
Compound: (8R)-3-[3-[[2-(4-chlorophenoxy)-1-oxoethyl]amino]phenyl]-7-(1-oxo-3,3-diphenylpropyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide
SMILES: C1[C@@H](N(CC12CC(=NO2)C3=CC(=CC=C3)NC(=O)COC4=CC=C(C=C4)Cl)C(=O)CC(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)N
Compound: N-(2-chlorophenyl)-4-hydroxy-2-oxo-1-pentyl-3-quinolinecarboxamide
SMILES: CCCCCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=CC=CC=C3Cl)O
Compound: N-[(2-chlorophenyl)methyl]-2-[7-oxo-3-(phenylmethyl)-6-triazolo[4,5-d]pyrimidinyl]acetamide
SMILES: C1=CC=C(C=C1)CN2C3=C(C(=O)N(C=N3)CC(=O)NCC4=CC=CC=C4Cl)N=N2
Compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyphenyl)-2-propenamide
SMILES: COC1=CC=CC=C1C=CC(=O)NC2=CC3=C(C=C2)OCCO3
Compound: 2-[(2-anilino-2-oxoethyl)thio]butanedioic acid
SMILES: C1=CC=C(C=C1)NC(=O)CSC(CC(=O)O)C(=O)O
Compound: N-(3-chlorophenyl)-2-(4-methyl-1-piperidinyl)acetamide
SMILES: CC1CCN(CC1)CC(=O)NC2=CC(=CC=C2)Cl
Compound: 6-methyl-4-oxoquinolizine-1,3-dicarboxylic acid diethyl ester
SMILES: CCOC(=O)C1=CC(=C2C=CC=C(N2C1=O)C)C(=O)OCC
Compound: 2-[2-[[4-(4-chlorophenyl)-2-thiazolyl]methylidene]-4-oxo-3-thiazolidinyl]-N-(2-chloro-3-pyridinyl)acetamide
SMILES: C1C(=O)N(C(=CC2=NC(=CS2)C3=CC=C(C=C3)Cl)S1)CC(=O)NC4=C(N=CC=C4)Cl
Compound: 5-oxo-3-(4-phenylphenyl)-2H-furan-4-carbonitrile
SMILES: C1C(=C(C(=O)O1)C#N)C2=CC=C(C=C2)C3=CC=CC=C3
Compound: N-(2-methoxycyclohexyl)-3,4-dimethylaniline
SMILES: CC1=C(C=C(C=C1)NC2CCCCC2OC)C
Compound: 2-methyl-8-quinolinamine
SMILES: CC1=NC2=C(C=CC=C2N)C=C1
Compound: 2-[1-(2-hydroxyanilino)ethylidene]-1-benzothiophen-3-one
SMILES: CC(=C1C(=O)C2=CC=CC=C2S1)NC3=CC=CC=C3O
Compound: 2-[2-(3,5-dimethyl-1-pyrazolyl)ethyl]-4-thiophen-2-ylthiazole
SMILES: CC1=CC(=NN1CCC2=NC(=CS2)C3=CC=CS3)C
Compound: 2-(2,5-dichlorophenoxy)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-butanone
SMILES: CCC(C(=O)N1CCC2(CC1)OCCO2)OC3=C(C=CC(=C3)Cl)Cl
Compound: 1-[(3,5-dimethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-3-(3-pyridinyl)thiourea
SMILES: COC1=CC(=CNNC(=S)NC2=CN=CC=C2)C=C(C1=O)OC
Compound: 3-[(2-methoxyphenyl)methyl]-5-[1-[(4-methylphenyl)-oxomethyl]-4-piperidinyl]-2H-triazolo[4,5-d]pyrimidin-7-one
SMILES: CC1=CC=C(C=C1)C(=O)N2CCC(CC2)C3=NC(=O)C4=NNN(C4=N3)CC5=CC=CC=C5OC
Compound: 3-chloro-N-(3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
SMILES: CC1=C(N=CC=C1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl
Compound: 2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-N-cyclopropylacetamide
SMILES: CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3CC3
Compound: N-[2-(2-pyridinyl)-3H-benzimidazol-5-yl]cyclohexanecarboxamide
SMILES: C1CCC(CC1)C(=O)NC2=CC3=C(C=C2)N=C(N3)C4=CC=CC=N4
Compound: 2-[(6-amino-3,5-dicyano-2-pyridinyl)thio]acetic acid ethyl ester
SMILES: CCOC(=O)CSC1=C(C=C(C(=N1)N)C#N)C#N
Compound: N-[3-(2,6-dimethyl-1-piperidinyl)propyl]-1,5-dimethyl-4-oxo-2-pyrrolo[3,2-c]quinolinecarboxamide
SMILES: CC1CCCC(N1CCCNC(=O)C2=CC3=C(N2C)C4=CC=CC=C4N(C3=O)C)C
Compound: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]-N-[3-(1-piperidinylsulfonyl)phenyl]acetamide
SMILES: C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NN=C(S3)NC4=CC=CC=C4
Compound: 2-ethoxy-N-[4-(2-pyrimidinylsulfamoyl)phenyl]acetamide
SMILES: CCOCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2
Compound: N-(1,3-benzothiazol-2-yl)-2-methoxy-N-[2-(1-methyl-2-pyrrolidinyl)ethyl]benzamide
SMILES: CN1CCCC1CCN(C2=NC3=CC=CC=C3S2)C(=O)C4=CC=CC=C4OC
Compound: 5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
SMILES: COC1=CC(=CC(=C1O)OC)C=C2C(=O)NC(=O)N(C2=O)C3=CC=CC=C3
Compound: N-(4,5-diphenyl-2-oxazolyl)-2-[(1-methyl-5-tetrazolyl)thio]acetamide
SMILES: CN1C(=NN=N1)SCC(=O)NC2=NC(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4
Compound: 5-(2-furanylmethylamino)-2-(2-methylphenyl)-4-oxazolecarbonitrile
SMILES: CC1=CC=CC=C1C2=NC(=C(O2)NCC3=CC=CO3)C#N
Compound: N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-5-methyl-N-(thiophen-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide
SMILES: CC1=C(C2=NSN=C2C=C1)S(=O)(=O)N(CC3=CC=CS3)CC4=CC5=C(C=CC(=C5)OC)NC4=O
Compound: (2R,4R)-N-(1H-benzimidazol-2-ylmethyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide
SMILES: C1[C@H](C=C(O[C@H]1OCC2=CC=C(C=C2)CO)C(=O)NCC3=NC4=CC=CC=C4N3)C5=CC=C(C=C5)C(F)(F)F
Compound: 4-(4-methyl-1-oxido-2-triazol-1-iumyl)benzoic acid
SMILES: CC1=NN([N+](=C1)[O-])C2=CC=C(C=C2)C(=O)O
Compound: 3,4-dimethyl-N-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-sulfanylidenemethyl]benzamide
SMILES: CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)NC(=O)N3)C
Compound: N-(6-acetyl-1,3-benzodioxol-5-yl)-5-methyl-2-phenyl-3-pyrazolecarboxamide
SMILES: CC1=NN(C(=C1)C(=O)NC2=CC3=C(C=C2C(=O)C)OCO3)C4=CC=CC=C4
Compound: N-[[2-(1-cyclohexenyl)ethylamino]-sulfanylidenemethyl]-2-furancarboxamide
SMILES: C1CCC(=CC1)CCNC(=S)NC(=O)C2=CC=CO2
Compound: 1-(4-bromophenyl)-4-[1-naphthalenyl(oxo)methyl]-3-pyrazolecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=NN(C=C1C(=O)C2=CC=CC3=CC=CC=C32)C4=CC=C(C=C4)Br
Compound: 2-(4-chlorophenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole
SMILES: C1=CC(=CC=C1C2=NN=C(O2)C3=CC=C(C=C3)Cl)F
Compound: 2-(4-methylphenoxy)-N-[2-[oxo(1-piperidinyl)methyl]phenyl]acetamide
SMILES: CC1=CC=C(C=C1)OCC(=O)NC2=CC=CC=C2C(=O)N3CCCCC3
Compound: 4-[[(5-methyl-3-isoxazolyl)amino]methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione
SMILES: CC1=CC(=NO1)NC=C2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC(=C4)C(F)(F)F
Compound: 2-[8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethyl-2,6-dioxo-7-purinyl]acetic acid methyl ester
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCC4=CC=CC=C4C3)CC(=O)OC
Compound: N-(3-methyl-2-pyridinyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
SMILES: CC1=C(N=CC=C1)NC(=O)COC2=CC3=C(C=C2)OC4=C3CCCC4
Compound: 8-(2-chlorophenyl)-3-(4-ethoxyphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
SMILES: CCOC1=CC=C(C=C1)N2CN3C(=O)CC(C(=C3SC2)C#N)C4=CC=CC=C4Cl
Compound: 2-[[6-amino-2-(3-methylanilino)-5-nitro-4-pyrimidinyl]amino]ethanol
SMILES: CC1=CC(=CC=C1)NC2=NC(=C(C(=N2)NCCO)[N+](=O)[O-])N
Compound: 4-(benzylsulfanyl)thieno[2,3-d]pyrimidine
SMILES: C1=CC=C(C=C1)CSC2=NC=NC3=C2C=CS3
Compound: 4-(4-bromophenyl)-2-(3,5-dimethyl-1-pyrazolyl)-4-oxobutanoic acid methyl ester
SMILES: CC1=CC(=NN1C(CC(=O)C2=CC=C(C=C2)Br)C(=O)OC)C
Compound: N-(9-ethyl-3-carbazolyl)-2-[[4-ethyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]acetamide
SMILES: CCN1C2=C(C=C(C=C2)NC(=O)CSC3=NN=C(N3CC)C4=CC=CO4)C5=CC=CC=C51
Compound: 5-(4-ethoxyanilino)-2-thiophen-2-yl-4-oxazolecarbonitrile
SMILES: CCOC1=CC=C(C=C1)NC2=C(N=C(O2)C3=CC=CS3)C#N
Compound: 1-[[1-(2-methoxyanilino)-4-isoquinolinyl]-oxomethyl]-4-piperidinecarboxamide
SMILES: COC1=CC=CC=C1NC2=NC=C(C3=CC=CC=C32)C(=O)N4CCC(CC4)C(=O)N
Compound: 3,5,5-trimethyl-4H-pyrazole-1-carbothioamide
SMILES: CC1=NN(C(C1)(C)C)C(=S)N
Compound: 3-(3-fluoro-4-methoxyphenyl)-5-phenyl-7-furo[3,2-g][1]benzopyranone
SMILES: COC1=C(C=C(C=C1)C2=COC3=C2C=C4C(=CC(=O)OC4=C3)C5=CC=CC=C5)F
Compound: 4-acetamidobenzenesulfonic acid [2-(1-piperidinyl)phenyl] ester
SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2N3CCCCC3
Compound: 4-methylbenzenesulfonic acid [2-[(diaminomethylidenehydrazinylidene)methyl]phenyl] ester
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C=NN=C(N)N
Compound: 3-[(4-methoxyphenyl)methylidene]-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one
SMILES: COC1=CC=C(C=C1)C=C2C(OC3=CC=CC=C3C2=O)C4=CC=CC=C4
Compound: 1-ethyl-3-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]thiourea
SMILES: CCNC(=S)NNC(=S)NCC1=CC=CC=C1
Compound: 1-(4-methylphenyl)sulfonyl-5-oxo-2-pyrrolidinecarboxylic acid [[amino-(4-nitrophenyl)methylidene]amino] ester
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2=O)C(=O)ON=C(C3=CC=C(C=C3)[N+](=O)[O-])N
Compound: 1-butyl-2-[2-furanyl(oxo)methyl]imino-10-methyl-5-oxo-3-dipyrido[3,4-c:1',2'-f]pyrimidinecarboxylic acid ethyl ester
SMILES: CCCCN1C2=C(C=C(C1=NC(=O)C3=CC=CO3)C(=O)OCC)C(=O)N4C=CC=C(C4=N2)C
Compound: 1,3-benzodioxol-5-yl-[2-(phenylmethylthio)-4,5-dihydroimidazol-1-yl]methanone
SMILES: C1CN(C(=N1)SCC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCO4
Compound: (4-chloro-2-methyl-3-pyrazolyl)-[4-(2-ethoxyphenyl)-1-piperazinyl]methanone
SMILES: CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=C(C=NN3C)Cl
Compound: [(2S,4S)-4-(1-benzothiophen-3-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-yl]-[4-(phenylmethyl)-1-piperazinyl]methanone
SMILES: C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=C[C@H](C[C@H](O3)OCC4=CC=C(C=C4)CO)C5=CSC6=CC=CC=C65
Compound: 2-[4-[(1-cyclopentyl-5-tetrazolyl)-(6-quinolinyl)methyl]-1-piperazinyl]-1,3-benzothiazole
SMILES: C1CCC(C1)N2C(=NN=N2)C(C3=CC4=C(C=C3)N=CC=C4)N5CCN(CC5)C6=NC7=CC=CC=C7S6
Compound: 7-(4-chlorophenyl)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILES: C1=CC(=CC=C1C2=CC=NC3=NC(=NN23)SC4=C(C=C(C=N4)C(F)(F)F)Cl)Cl
Compound: 4-[5-[[[ethylamino(sulfanylidene)methyl]hydrazinylidene]methyl]-2-furanyl]benzoic acid butyl ester
SMILES: CCCCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=NNC(=S)NCC
Compound: 2-methoxy-6-[([1,2,4]triazolo[3,4-a]phthalazin-6-ylhydrazo)methylidene]-1-cyclohexa-2,4-dienone
SMILES: COC1=CC=CC(=CNNC2=NN3C=NN=C3C4=CC=CC=C42)C1=O
Compound: 4-[(4-ethoxy-3-methoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one
SMILES: CCOC1=C(C=C(C=C1)C(C2=C(NNC2=O)C)C3=C(NNC3=O)C)OC
Compound: N-(2-methyl-1,3-benzothiazol-6-yl)-4-(4-morpholinylsulfonyl)benzamide
SMILES: CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4
Compound: 6-[(2-fluorophenyl)methyl]-5-methyl-N-(3-methylbutyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILES: CC1=C(C(=O)N2C(=N1)C(=CN2)C(=O)NCCC(C)C)CC3=CC=CC=C3F
Compound: 3-[2-(4-methyl-2-propan-2-ylphenoxy)ethyl]-1H-benzimidazole-2-thione
SMILES: CC1=CC(=C(C=C1)OCCN2C3=CC=CC=C3NC2=S)C(C)C
Compound: 5-bromo-N-[(1,2-dimethyl-5-indolyl)methyl]-2-furancarboxamide
SMILES: CC1=CC2=C(N1C)C=CC(=C2)CNC(=O)C3=CC=C(O3)Br
Compound: 2-(8-quinolinylthio)acetic acid phenacyl ester
SMILES: C1=CC=C(C=C1)C(=O)COC(=O)CSC2=CC=CC3=C2N=CC=C3
Compound: 2-[(2-chlorophenyl)methylthio]-6-nitro-1,3-benzothiazole
SMILES: C1=CC=C(C(=C1)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl
Compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)thio]acetamide
SMILES: COC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC4=C(C=C3)OCCO4
Compound: N-(2-furanylmethyl)-6-propyl-3-benzo[b][1,4]benzothiazepinecarboxamide
SMILES: CCCC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC=CO3)SC4=CC=CC=C41
Compound: 4-[2-(3-methoxyphenyl)-2-oxoethoxy]benzoic acid methyl ester
SMILES: COC1=CC=CC(=C1)C(=O)COC2=CC=C(C=C2)C(=O)OC
Compound: 4-[[[2,3-bis(2-pyridinyl)-6-quinoxalinyl]amino]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester
SMILES: CCOC(=O)N1CCN(CC1)C(=O)NC2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CC=N4)C5=CC=CC=N5
Compound: N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxamide
SMILES: CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=C(ON=C3C4=CC=CC=C4Cl)C
Compound: 5-bromo-2-thiophenecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester
SMILES: C1=CC=C2C(=C1)N=C(S2)COC(=O)C3=CC=C(S3)Br
Compound: 5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-[1-(1-naphthalenylmethyl)-3-indolyl]methyl]-1,2-dihydropyrazol-3-one
SMILES: CC1=C(C(=O)NN1)C(C2=CN(C3=CC=CC=C32)CC4=CC=CC5=CC=CC=C54)C6=C(NNC6=O)C
Compound: 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)thio]-N-(2-phenylethyl)acetamide
SMILES: C1=CC=C(C=C1)CCNC(=O)CSC2=C(C(=C(C(=N2)N)C#N)C3=CC=CS3)C#N
Compound: N-[1-(1,3-benzodioxol-5-yl)ethylideneamino]-1,3-benzodioxole-5-carboxamide
SMILES: CC(=NNC(=O)C1=CC2=C(C=C1)OCO2)C3=CC4=C(C=C3)OCO4
Compound: N-[[2-methyl-5-(2-oxazolo[4,5-b]pyridinyl)anilino]-sulfanylidenemethyl]-2-furancarboxamide
SMILES: CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC=N3)NC(=S)NC(=O)C4=CC=CO4
Compound: 4-(3-bromophenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine
SMILES: CC1=CC=C(C=C1)N2C=C3C(=N2)C(=NN=C3C4=CC(=CC=C4)Br)C
Compound: 3-(3,5-dimethyl-1-pyrazolyl)-5-phenyl-1,2,4-triazine
SMILES: CC1=CC(=NN1C2=NC(=CN=N2)C3=CC=CC=C3)C
Compound: 7-hydroxy-3-(2-methoxyphenyl)-8-[(4-methyl-1-piperidinyl)methyl]-1-benzopyran-4-one
SMILES: CC1CCN(CC1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=CC=C4OC)O
Compound: 3-(4-methylphenyl)sulfonyl-1,3-benzoxazol-2-one
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3OC2=O
Compound: 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-(2-methoxyethyl)-2-propenamide
SMILES: COCCNC(=O)C(=CC1=CC(=C(C(=C1)Br)O)OC)C#N
Compound: N-[5-[[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
SMILES: CC1CC2=CC=CC=C2N1C(=O)CSC3=NN=C(S3)NC(=O)CC4=CC=CS4
Compound: N-(2-methoxyphenyl)-3-[[2-(4-oxo-1-cyclohexa-2,5-dienylidene)-3H-1,3,4-oxadiazol-5-yl]thio]propanamide
SMILES: COC1=CC=CC=C1NC(=O)CCSC2=NNC(=C3C=CC(=O)C=C3)O2
Compound: N-[[4-(4-morpholinylmethyl)anilino]-sulfanylidenemethyl]-3-(3-nitrophenyl)-2-propenamide
SMILES: C1COCCN1CC2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]
Compound: N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[methyl-(phenylmethyl)sulfamoyl]benzamide
SMILES: CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(O3)C4CC4
Compound: 2-[4-(benzenesulfonyl)phenyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
SMILES: COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)C3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4
Compound: 1-[4-[2-hydroxy-3-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]propoxy]phenyl]-1-propanone
SMILES: CCC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)O
Compound: 2-[(4,4-dimethyl-2,6-dioxocyclohexyl)methylideneamino]-5-methyl-3-thiophenecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(SC(=C1)C)N=CC2C(=O)CC(CC2=O)(C)C
Compound: 4-methylbenzenesulfonic acid [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-ethoxyphenyl] ester
SMILES: CCOC1=C(C=CC(=C1)C(C2=C(NNC2=O)C)C3=C(NNC3=O)C)OS(=O)(=O)C4=CC=C(C=C4)C
Compound: 2-(4-butan-2-ylanilino)-3-pyridinecarbonitrile
SMILES: CCC(C)C1=CC=C(C=C1)NC2=C(C=CC=N2)C#N
Compound: 9-methyl-6H-benzo[c][1,2]benzothiazine 5,5-dioxide
SMILES: CC1=CC2=C(C=C1)NS(=O)(=O)C3=CC=CC=C32
Compound: 2-(4-propylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]-4-quinolinecarboxamide
SMILES: CCCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCC4=CC=C(C=C4)S(=O)(=O)N
Compound: 3-[(1,3-benzothiazol-2-ylthio)methyl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione
SMILES: C1CCC(CC1)N2C(=NNC2=S)CSC3=NC4=CC=CC=C4S3
Compound: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
SMILES: CC1=C(C(=NO1)C)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2CC=C
Compound: 2-(6-benzimidazolo[1,2-c]quinazolinylthio)-N-(2-furanylmethyl)acetamide
SMILES: C1=CC=C2C(=C1)C3=NC4=CC=CC=C4N3C(=N2)SCC(=O)NCC5=CC=CO5
Compound: N-[4-(1H-benzimidazol-2-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide
SMILES: C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)NC(=O)C4=C(C(=C(C(=C4F)F)F)F)F
Compound: 1-[4-(5-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]-2-[(4-methyl-2-quinolinyl)thio]ethanone
SMILES: CC1=CC(=NC2=CC=CC=C12)SCC(=O)N3CCC(CC3)C4=NOC5=C4C=C(C=C5)F
Compound: 2-(4-chlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide
SMILES: C1=CC(=CC=C1OCC(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC=NC=C4)Cl
Compound: N-(4-hydroxyphenyl)-8-quinolinesulfonamide
SMILES: C1=CC2=C(C(=C1)S(=O)(=O)NC3=CC=C(C=C3)O)N=CC=C2
Compound: 2-(benzenesulfonyl)-3-[9-methyl-2-(4-methyl-1-piperazinyl)-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-propenenitrile
SMILES: CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)S(=O)(=O)C3=CC=CC=C3)N4CCN(CC4)C
Compound: 2-[[5-(5-bromo-2-furanyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-(2-fluorophenyl)ethanone
SMILES: C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)C3=CC=CC=C3F)C4=CC=C(O4)Br
Compound: 6-amino-5-cyano-2-(4-methoxyphenyl)-4-(3-pyridinyl)-4H-pyran-3-carboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(OC(=C(C1C2=CN=CC=C2)C#N)N)C3=CC=C(C=C3)OC
Compound: N-(4-phenoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
SMILES: C1CNC(C2=CC=CC=C21)CC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4
Compound: (3aR,6aS)-3-(2-chlorophenyl)-5-(2,5-dimethoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d]isoxazole-4,6-dione
SMILES: COC1=CC(=C(C=C1)OC)N2C(=O)[C@H]3[C@@H](C2=O)ON=C3C4=CC=CC=C4Cl
Compound: 1-(3-chlorophenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
SMILES: COC1=CC(=CC(=C1OC)OC)CN2CCN(CC2)C3=CC(=CC=C3)Cl
Compound: 3-[[4-phenyl-5-(propylthio)-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one
SMILES: CCCSC1=NN=C(N1C2=CC=CC=C2)CN3C4=CC=CC=C4SC3=O
Compound: N1',N6'-bis[(5-methyl-1H-pyrazol-3-yl)-oxomethyl]hexanedihydrazide
SMILES: CC1=CC(=NN1)C(=O)NNC(=O)CCCCC(=O)NNC(=O)C2=NNC(=C2)C
Compound: 1-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-(3-methoxyphenyl)-1-[2-(4-morpholinyl)ethyl]thiourea
SMILES: CCN1CCCC2=C1C=CC(=C2)CN(CCN3CCOCC3)C(=S)NC4=CC(=CC=C4)OC
Compound: 3-methyl-N-[(4-methylphenyl)methyl]-7,8-dihydro-6H-cyclopenta[4,5]thieno[1,2-c]pyrimidin-1-amine
SMILES: CC1=CC=C(C=C1)CNC2=C3C4=C(CCC4)SC3=NC(=N2)C
Compound: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(phenylmethyl)-N-(2-pyridinyl)acetamide
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N(CC3=CC=CC=C3)C4=CC=CC=N4
Compound: 5-ethyl-N-[[2-(3-pyridinyl)-4-thiazolyl]methyl]-2-thiophenesulfonamide
SMILES: CCC1=CC=C(S1)S(=O)(=O)NCC2=CSC(=N2)C3=CN=CC=C3
Compound: 3-(5-chloro-2-methylphenyl)-6-(2,6-dimethyl-4-morpholinyl)-1H-pyrimidine-2,4-dione
SMILES: CC1CN(CC(O1)C)C2=CC(=O)N(C(=O)N2)C3=C(C=CC(=C3)Cl)C
Compound: N-(3-methoxyphenyl)-1,3-dioxo-2-(2-oxolanylmethyl)-5-isoindolecarboxamide
SMILES: COC1=CC=CC(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4CCCO4
Compound: 2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)-N-[3-(2-oxo-1-pyrrolidinyl)propyl]acetamide
SMILES: CC1CCC2=NN(C=C2C1)CC(=O)NCCCN3CCCC3=O
Compound: 4-hydroxy-2-oxo-1-prop-2-enyl-N-(3-pyridinyl)-3-quinolinecarboxamide
SMILES: C=CCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=CN=CC=C3)O
Compound: 1H-benzimidazole-5,6-diamine
SMILES: C1=C2C(=CC(=C1N)N)N=CN2
Compound: 2-methyl-3-[(5-methyl-3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-4-quinazolinone
SMILES: CC1=CC(=CC(=CNN2C(=NC3=CC=CC=C3C2=O)C)C1=O)[N+](=O)[O-]
Compound: 4-[5-(carboxymethyl)-4-phenyl-2-thiazolyl]benzoic acid
SMILES: C1=CC=C(C=C1)C2=C(SC(=N2)C3=CC=C(C=C3)C(=O)O)CC(=O)O
Compound: 7-ethoxy-3-[5-(2-furanyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-1H-quinolin-2-one
SMILES: CCOC1=CC2=C(C=C1)C=C(C(=O)N2)C3CC(=NN3S(=O)(=O)C)C4=CC=CO4