MonarchInit/C3PO huggingface dataset:
Compound: 1-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-[4-(trifluoromethyl)phenyl]urea
SMILES: C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)O[C@H]1CNC)[C@@H](C)CO
Compound: 1-[(2S,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea
SMILES: C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC3=C(ON=C3C)C)O[C@@H]1CN(C)CC4CC4)[C@H](C)CO
Compound: 4-chloro-N-[(2S,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]benzenesulfonamide
SMILES: C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)O[C@@H]1CN(C)CC4CCCCC4)[C@H](C)CO
Compound: (2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-10-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one
SMILES: C[C@H]1CN(C(=O)C2=C(C(=CC=C2)N(C)C)O[C@@H]1CN(C)CC3=CC4=C(C=C3)OCO4)[C@@H](C)CO
Compound: N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-phenylacetamide
SMILES: C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)O[C@H]1CNC)[C@@H](C)CO
Compound: 1-[(2S,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea
SMILES: C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC3=CC=CC=C3)O[C@@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)F)[C@@H](C)CO
Compound: N-[(2S,3S)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4,4,4-trifluorobutanamide
SMILES: C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CCC(F)(F)F)O[C@@H]1CN(C)S(=O)(=O)C3=CC=C(C=C3)Cl)[C@H](C)CO
Compound: 1-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-[4-(trifluoromethyl)phenyl]urea
SMILES: C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)O[C@H]1CNC)[C@H](C)CO
Compound: N-(2-aminophenyl)-4-[[[(2S,3R)-10-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide
SMILES: C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)N(C)C)O[C@@H]1CN(C)CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N)[C@@H](C)CO
Compound: N-[(2R,3R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide
SMILES: C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NS(=O)(=O)C)O[C@H]1CN(C)CC3CC3)[C@@H](C)CO
Compound: 1-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(1-naphthalenyl)urea
SMILES: C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC3=CC=CC4=CC=CC=C43)O[C@@H]1CNC)[C@@H](C)CO
Compound: N-[(2R,3S)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide
SMILES: C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CCN3CCOCC3)O[C@H]1CN(C)C(=O)NC4CCCCC4)[C@@H](C)CO
Compound: 1-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(phenylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea
SMILES: C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC(C)C)O[C@@H]1CN(C)CC3=CC=CC=C3)[C@@H](C)CO
Compound: 1-(1,3-benzodioxol-5-yl)-3-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea
SMILES: C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)O[C@H]1CNC)[C@@H](C)CO
Compound: N-[(2S,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide
SMILES: C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3=NC=CN=C3)O[C@@H]1CN(C)CC4CCCCC4)[C@H](C)CO
Compound: 1-[[(2R,3R)-9-[[(cyclohexylamino)-oxomethyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
SMILES: C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC3CCCCC3)O[C@H]1CN(C)C(=O)NC4=CC=C(C=C4)OC)[C@H](C)CO
Compound: 1-[[(2S,3S)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-3-(3,5-dimethyl-4-isoxazolyl)-1-methylurea
SMILES: C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)N(C)C)O[C@@H]1CN(C)C(=O)NC3=C(ON=C3C)C)[C@H](C)CO
Compound: (2S,3S)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one
SMILES: C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)N(C)C)O[C@@H]1CNC)[C@H](C)CO
Compound: 1-[(2R,3R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea
SMILES: C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC3=C(ON=C3C)C)O[C@H]1CN(C)CC4CC4)[C@H](C)CO
Compound: N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclopropanecarboxamide
SMILES: C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3CC3)O[C@H]1CN(C)C(=O)NC(C)C)[C@H](C)CO
Compound: 1-(3,5-dimethyl-4-isoxazolyl)-3-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea
SMILES: C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC3=C(ON=C3C)C)O[C@@H]1CN(C)CC4=CC=C(C=C4)C(F)(F)F)[C@H](C)CO
Compound: N-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-methoxybenzenesulfonamide
SMILES: C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)OC)O[C@H]1CN(C)CC4=CC5=C(C=C4)OCO5)[C@@H](C)CO
Compound: N-[(2S,3S)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide
SMILES: C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3=NC=CN=C3)O[C@@H]1CN(C)C(=O)NC4=CC=C(C=C4)F)[C@H](C)CO
Compound: N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-(1-tetrazolyl)acetamide
SMILES: C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CN3C=NN=N3)O[C@H]1CN(C)CC4=CC=C(C=C4)OC5=CC=CC=C5)[C@@H](C)CO
Compound: 3-(4-fluorophenyl)-1-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-10-[[(1-naphthalenylamino)-oxomethyl]amino]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea
SMILES: C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC3=CC=CC4=CC=CC=C43)O[C@H]1CN(C)C(=O)NC5=CC=C(C=C5)F)[C@H](C)CO
Compound: N-[(2R,3R)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4,4,4-trifluorobutanamide
SMILES: C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CCC(F)(F)F)O[C@H]1CN(C)C(=O)NC3=CC4=C(C=C3)OCO4)[C@H](C)CO
Compound: N-[(2S,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-methoxybenzenesulfonamide
SMILES: C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)OC)O[C@@H]1CN(C)CC4CCCCC4)[C@H](C)CO
Compound: N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclopropanecarboxamide
SMILES: C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3CC3)O[C@H]1CNC)[C@H](C)CO
Compound: N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide
SMILES: C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3=NC=CN=C3)O[C@@H]1CNC)[C@H](C)CO
Compound: N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-1,3-benzothiazole-2-carboxamide
SMILES: C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3=NC4=CC=CC=C4S3)O[C@@H]1CNC)[C@H](C)CO
Compound: 1-tetradecanoyl-2-hexadecanoyl-3-[(9Z)-octadecenoyl]-sn-glycerol
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@H](COC(CCCCCCCCCCCCC)=O)COC(=O)CCCCCCC/C=C\CCCCCCCC
Compound: 1-(4-fluorophenyl)-3-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea
SMILES: C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC3=CC=C(C=C3)F)O[C@H]1CN(C)CC4=CC=NC=C4)[C@H](C)CO
Compound: N-[[(2S,3R)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-N,1-dimethyl-4-imidazolesulfonamide
SMILES: C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)N(C)C)O[C@@H]1CN(C)S(=O)(=O)C3=CN(C=N3)C)[C@H](C)CO
Compound: N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-1-methyl-4-imidazolesulfonamide
SMILES: C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)O[C@@H]1CNC)[C@H](C)CO
Compound: 4,4,4-trifluoro-N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide
SMILES: C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CCC(F)(F)F)O[C@@H]1CN(C)CC3=CC=C(C=C3)OC)[C@H](C)CO
Compound: 4,4,4-trifluoro-N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide
SMILES: C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CCC(F)(F)F)O[C@H]1CN(C)CC3=CC=C(C=C3)OC)[C@@H](C)CO
Compound: N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide
SMILES: C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NS(=O)(=O)C)O[C@H]1CNC)[C@@H](C)CO
Compound: N-[(2S,3S)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclohexanecarboxamide
SMILES: C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)C3CCCCC3)O[C@@H]1CN(C)C(=O)NC4=CC=C(C=C4)F)[C@H](C)CO
Compound: N-[4-[3-[(2-acetamido-4-oxo-5-thiazolylidene)methyl]-2,5-dimethyl-1-pyrrolyl]phenyl]acetamide
SMILES: CC1=CC(=C(N1C2=CC=C(C=C2)NC(=O)C)C)C=C3C(=O)N=C(S3)NC(=O)C
Compound: 2-(1,3-benzodioxol-5-ylmethyl)isoindole-1,3-dione
SMILES: C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=CC=CC=C4C3=O
Compound: 3-[2-(4-chloro-3-methylphenoxy)-9-methyl-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-(4-chlorophenyl)sulfonyl-2-propenenitrile
SMILES: CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)S(=O)(=O)C3=CC=C(C=C3)Cl)OC4=CC(=C(C=C4)Cl)C
Compound: 3-amino-8-methyl-N-[4-(4-morpholinyl)phenyl]-2-thieno[2,3-b]quinolinecarboxamide
SMILES: CC1=CC=CC2=CC3=C(N=C12)SC(=C3N)C(=O)NC4=CC=C(C=C4)N5CCOCC5
Compound: 6-amino-1-(4-fluorophenyl)-3-methyl-4-thiophen-2-yl-5-pyrazolo[3,4-b]pyridinecarbonitrile
SMILES: CC1=NN(C2=C1C(=C(C(=N2)N)C#N)C3=CC=CS3)C4=CC=C(C=C4)F
Compound: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide
SMILES: CCSC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)C
Compound: N-(4-hydroxyphenyl)-N-methyl-N'-thiophen-2-ylsulfonylbenzenecarboximidamide
SMILES: CN(C1=CC=C(C=C1)O)C(=NS(=O)(=O)C2=CC=CS2)C3=CC=CC=C3
Compound: N-(4-methoxyphenyl)-2-[[6-[(4-methylphenyl)sulfonylamino]-4-oxo-1H-pyrimidin-2-yl]thio]acetamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=O)N=C(N2)SCC(=O)NC3=CC=C(C=C3)OC
Compound: 5-(1,3-benzodioxol-5-yl)-3-phenyl-2-sulfanylidene-4H-thiazolo[4,5-d]pyrimidin-7-one
SMILES: C1OC2=C(O1)C=C(C=C2)C3=NC(=O)C4=C(N3)N(C(=S)S4)C5=CC=CC=C5
Compound: N-tert-butyl-2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzamide
SMILES: CC(C)(C)NC(=O)C1=CC=CC=C1C2=NC(=NO2)C3=CC=CC=C3Cl
Compound: (2-methylanilino)thiourea
SMILES: CC1=CC=CC=C1NNC(=S)N
Compound: N-(3-methoxyphenyl)-2-(3-methoxypropyl)-1,3-dioxo-5-isoindolecarboxamide
SMILES: COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC(=CC=C3)OC
Compound: 2-(2-methyl-1-benzimidazolyl)acetic acid [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester
SMILES: CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)CN3C(=NC4=CC=CC=C43)C
Compound: N'-[(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2-oxo-3-(1-spiro[4H-isoquinoline-3,1'-cyclopentane]yl)propanehydrazide
SMILES: COC1=CC(=CNNC(=O)C(=O)CC2=NC3(CCCC3)CC4=CC=CC=C42)C=CC1=O
Compound: 3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]benzoic acid [2-(methylamino)-2-oxoethyl] ester
SMILES: CNC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F
Compound: N-[[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]benzamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(C)CC2=CC=C(C=C2)C(=O)NN=CC3=C(C=C(C=C3)OC(F)F)OC(F)F
Compound: N-(1,3-benzodioxol-5-yl)-2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]acetamide
SMILES: C1CN(CCN1CC(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)Cl
Compound: N-[[4-[(6-methoxy-3-pyridazinyl)sulfamoyl]anilino]-sulfanylidenemethyl]-3-(4-methylphenyl)-2-propenamide
SMILES: CC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NN=C(C=C3)OC
Compound: 2-[[oxo-(2,3,4,5,6-pentafluorophenyl)methyl]amino]benzoic acid ethyl ester
SMILES: CCOC(=O)C1=CC=CC=C1NC(=O)C2=C(C(=C(C(=C2F)F)F)F)F
Compound: 1-[2-(1-cyclohexenyl)ethyl]-5-[[4-(diethylamino)anilino]methylidene]-1,3-diazinane-2,4,6-trione
SMILES: CCN(CC)C1=CC=C(C=C1)NC=C2C(=O)NC(=O)N(C2=O)CCC3=CCCCC3
Compound: 1-[[1-[(4-chlorophenyl)methyl]-2-oxo-3-indolylidene]amino]-3-ethylthiourea
SMILES: CCNC(=S)NN=C1C2=CC=CC=C2N(C1=O)CC3=CC=C(C=C3)Cl
Compound: N-(1,3-benzodioxol-5-yl)-2-(2,4-dimethylphenoxy)acetamide
SMILES: CC1=CC(=C(C=C1)OCC(=O)NC2=CC3=C(C=C2)OCO3)C
Compound: 5-chloro-N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-3-methyl-2-benzofurancarboxamide
SMILES: CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C4=C(O3)C=CC(=C4)Cl)C
Compound: 2-(2-furanylmethyl)-3-[[2-(3-pyridinyl)-3H-benzimidazol-5-yl]amino]-3H-isoindol-1-one
SMILES: C1=CC=C2C(=C1)C(N(C2=O)CC3=CC=CO3)NC4=CC5=C(C=C4)N=C(N5)C6=CN=CC=C6
Compound: 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethanone
SMILES: C1CC2=C(C1)C=C(C=C2)OCC(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F
Compound: N-[(2-phenyl-3,4-dihydro-2H-1-benzopyran-4-ylidene)amino]-3-pyridinecarboxamide
SMILES: C1C(OC2=CC=CC=C2C1=NNC(=O)C3=CN=CC=C3)C4=CC=CC=C4
Compound: 5-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-1H-imidazole-2-thione
SMILES: CCOC1=CC=C(C=C1)N2C=C(NC2=S)C3=CC(=C(C=C3)OC)OC
Compound: 5-phenyl-N-(3-pyridinyl)-3-isoxazolecarboxamide
SMILES: C1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC3=CN=CC=C3
Compound: 4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methyl-5-thieno[3,2-b]pyrrolecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=CC2=C(N1CC(=O)NCC3=CC=C(C=C3)F)C=C(S2)C
Compound: 2-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-hydroxy-3-phenyl-1-isoindolone
SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3(C5=CC=CC=C5)O
Compound: 5-[(2-fluorophenyl)methyl]-6,11-dioxo-3-benzo[b][1,4]benzothiazepinecarboxylic acid
SMILES: C1=CC=C(C(=C1)CN2C3=C(C=CC(=C3)C(=O)O)S(=O)C4=CC=CC=C4C2=O)F
Compound: 4-(3-chlorophenyl)-5-(3-methoxypropyl)-3-(6-oxo-1-cyclohexa-2,4-dienylidene)-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one
SMILES: COCCCN1C(C2=C(C1=O)NNC2=C3C=CC=CC3=O)C4=CC(=CC=C4)Cl
Compound: 2,4-dimethyl-N-[4-(1-pyrrolidinyl)phenyl]benzamide
SMILES: CC1=CC(=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCCC3)C
Compound: (3-bromo-4-methoxyphenyl)-(4-methyl-1-piperazinyl)methanethione
SMILES: CN1CCN(CC1)C(=S)C2=CC(=C(C=C2)OC)Br
Compound: 6-[2-amino-5-(4-methoxyphenyl)-6-methyl-1H-pyrimidin-4-ylidene]-3-(2-methylprop-2-enoxy)-1-cyclohexa-2,4-dienone
SMILES: CC1=C(C(=C2C=CC(=CC2=O)OCC(=C)C)N=C(N1)N)C3=CC=C(C=C3)OC
Compound: [2-(5-methyl-2-thiophenyl)-4-quinolinyl]-(1-pyrrolidinyl)methanone
SMILES: CC1=CC=C(S1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCCC4
Compound: 7-methyl-2-[(4-methyl-6-phenyl-2-pyrimidinyl)amino]-1H-quinazolin-4-one
SMILES: CC1=CC2=C(C=C1)C(=O)N=C(N2)NC3=NC(=CC(=N3)C)C4=CC=CC=C4
Compound: 2-[(2,5-dimethylphenyl)thio]acetic acid [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] ester
SMILES: CC1=CC(=C(C=C1)C)SCC(=O)OCC(=O)C(C#N)C2=NC3=CC=CC=C3N2
Compound: 3-[(2-chlorophenyl)methyl]-7-[4-[4-(trifluoromethyl)phenyl]-1-piperazinyl]triazolo[4,5-d]pyrimidine
SMILES: C1CN(CCN1C2=CC=C(C=C2)C(F)(F)F)C3=NC=NC4=C3N=NN4CC5=CC=CC=C5Cl
Compound: 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester
SMILES: CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CC3C(=O)NC4=CC=CC=C4S3
Compound: 5-amino-4-(1H-benzimidazol-2-yl)-1-pentyl-2H-pyrrol-3-one
SMILES: CCCCCN1CC(=O)C(=C1N)C2=NC3=CC=CC=C3N2
Compound: 2-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
SMILES: COC1=C(C(=C(C=C1)C2NC(=O)C3=CC=CC=C3O2)OC)OC
Compound: 1-(6-methyl-2-pyridinyl)-3-(2-phenylethyl)thiourea
SMILES: CC1=NC(=CC=C1)NC(=S)NCCC2=CC=CC=C2
Compound: N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-3-pyridinecarboxamide
SMILES: CC1(CC(=NNC(=O)C2=CN=CC=C2)CC(=O)C1)C
Compound: 4-[[(1-methylsulfonyl-4-piperidinyl)-oxomethyl]amino]benzoic acid methyl ester
SMILES: COC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C
Compound: acetic acid [4-[[(3aS,4R,9aS,9bR)-2-(2-naphthalenyl)-1,3-dioxo-3a,4,9a,9b-tetrahydropyrrolo[1,2]pyrrolo[3,5-b]pyridazin-4-yl]-oxomethyl]phenyl] ester
SMILES: CC(=O)OC1=CC=C(C=C1)C(=O)[C@H]2[C@@H]3[C@H]([C@H]4N2N=CC=C4)C(=O)N(C3=O)C5=CC6=CC=CC=C6C=C5
Compound: 4,5-dimethyl-2-[[oxo(thiophen-2-yl)methyl]amino]-3-thiophenecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=CC=CS2
Compound: N-(3-methoxyphenyl)-1-[4-(1-tetrazolyl)phenyl]sulfonyl-3-piperidinecarboxamide
SMILES: COC1=CC=CC(=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)N4C=NN=N4
Compound: N-(4-methylphenyl)-4-benzofuro[3,2-d]pyrimidinamine
SMILES: CC1=CC=C(C=C1)NC2=NC=NC3=C2OC4=CC=CC=C43
Compound: 1-(3-amino-7-methoxy-1-pyrazolo[3,4-b]quinolinyl)-2-(2-methoxyphenyl)ethanone
SMILES: COC1=CC2=NC3=C(C=C2C=C1)C(=NN3C(=O)CC4=CC=CC=C4OC)N
Compound: 6-propan-2-yl-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILES: CC(C)N1CCC2=C(C1)C(=O)NC(=S)N2
Compound: 5-carbamoyl-4-methyl-2-[[1-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)CNC2CCCC3=CC=CC=C23
Compound: N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(2-pyridinylthio)acetamide
SMILES: CC1(CC(C2=C(C1)N(N=C2)C3=CC(=CC=C3)F)NC(=O)CSC4=CC=CC=N4)C
Compound: N'-(1,3-benzodioxol-5-ylmethylideneamino)carbamimidothioic acid methyl ester
SMILES: CSC(=NN=CC1=CC2=C(C=C1)OCO2)N
Compound: 1-(1,3-benzodioxol-5-yl)-4-hydroxy-3-pyrazolecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=NN(C=C1O)C2=CC3=C(C=C2)OCO3
Compound: N-[[(cyclohexylamino)-sulfanylidenemethyl]amino]carbamic acid tert-butyl ester
SMILES: CC(C)(C)OC(=O)NNC(=S)NC1CCCCC1
Compound: 7-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILES: CC1=CC2=C(C=C1)NC(=O)CN=C2C3=CC=CC=C3
Compound: 2-bromo-N-[[(2-methylcyclohexyl)amino]-sulfanylidenemethyl]benzamide
SMILES: CC1CCCCC1NC(=S)NC(=O)C2=CC=CC=C2Br
Compound: 3-[1-(2-furanyl)ethylideneamino]-N-methyl-4-thiophen-2-yl-2-thiazolimine
SMILES: CC(=NN1C(=CSC1=NC)C2=CC=CS2)C3=CC=CO3
Compound: 7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxylic acid
SMILES: COC1=CC2=C(C=C1)C3=NNC(=C3CC2)C(=O)O
Compound: 2-[(3-ethyl-4-oxo-2-quinazolinyl)thio]acetic acid cyclohexyl ester
SMILES: CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)OC3CCCCC3
Compound: N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethyl-3-pyrazolecarboxamide
SMILES: CC1=C(C(=CC=C1)N2C3=C(C=N2)C(CCC3)NC(=O)C4=CC(=NN4C)C)C
Compound: N-(1,3-benzodioxol-5-yl)-2-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetamide
SMILES: COC1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NC3=CC4=C(C=C3)OCO4)C(F)(F)F
Compound: 5-chloro-2-methoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide
SMILES: CC1=CC=CC(=C1)C2=NOC(=N2)CN(C(C)C)C(=O)C3=C(C=CC(=C3)Cl)OC
Compound: 1-phenylmethoxy-4-prop-2-enoxyquinoxaline-2,3-dione
SMILES: C=CCON1C2=CC=CC=C2N(C(=O)C1=O)OCC3=CC=CC=C3
Compound: 2-[3-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-1-indolyl]-N,N-di(propan-2-yl)acetamide
SMILES: CC(C)N(C(C)C)C(=O)CN1C=C(C2=CC=CC=C21)SCC(=O)N3CCCC3
Compound: 4-(2-naphthalenyloxymethyl)-2-thiazolamine
SMILES: C1=CC=C2C=C(C=CC2=C1)OCC3=CSC(=N3)N
Compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(3-fluorophenyl)methylideneamino]-4-triazolecarboxamide
SMILES: C1OC2=C(O1)C=C(C=C2)C3=C(N=NN3C4=NON=C4N)C(=O)NN=CC5=CC(=CC=C5)F
Compound: 4-chloro-1-methyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=CN=C2C(=C1Cl)C=NN2C
Compound: N-[(4-methylphenyl)methylideneamino]-2-furancarboxamide
SMILES: CC1=CC=C(C=C1)C=NNC(=O)C2=CC=CO2
Compound: 2-methoxy-N-[2-(methylthio)phenyl]benzamide
SMILES: COC1=CC=CC=C1C(=O)NC2=CC=CC=C2SC
Compound: N-[4-[(cyclohexylamino)-oxomethyl]phenyl]-3-pyridinecarboxamide
SMILES: C1CCC(CC1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CN=CC=C3
Compound: N-[(5-bromo-2-thiophenyl)methylideneamino]-3-nitrobenzamide
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NN=CC2=CC=C(S2)Br
Compound: 2-[[3-[(2-hydroxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]phenol
SMILES: C1CN(CN(C1)CC2=CC=CC=C2O)CC3=CC=CC=C3O
Compound: (-)-phaseollinisoflavan
SMILES: CC1(C)Oc2ccc([C@@H]3COc4cc(O)ccc4C3)c(O)c2C=C1
Compound: 2-Deoxystreptamine phosphate
SMILES: N[C@H]1C[C@@H](N)[C@H](O)[C@@H](OP(O)(O)=O)[C@@H]1O
Compound: 1-[amino-[(4,6-dimethyl-2-quinazolinyl)amino]methylidene]-3-cyclohexylurea
SMILES: CC1=CC2=C(C=C1)N=C(N=C2C)NC(=NC(=O)NC3CCCCC3)N
Compound: N-[(1,2-dimethyl-5-indolyl)methyl]-4-methoxybenzenesulfonamide
SMILES: CC1=CC2=C(N1C)C=CC(=C2)CNS(=O)(=O)C3=CC=C(C=C3)OC
Compound: N-[3-[butyl(ethyl)amino]propyl]-1,5-dimethyl-4-oxo-2-pyrrolo[3,2-c]quinolinecarboxamide
SMILES: CCCCN(CC)CCCNC(=O)C1=CC2=C(N1C)C3=CC=CC=C3N(C2=O)C
Compound: LSM-20401
SMILES: C1CC2=C(C1)N=C3C(=C2C4=CC=CO4)C(=C(S3)C(=O)NC5=CC=CC=C5)N
Compound: 4-(dimethylsulfamoyl)benzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester
SMILES: CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)NCC2=CC=CO2
Compound: 2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]thio]-N-[4-(4-morpholinylsulfonyl)phenyl]acetamide
SMILES: CC1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4
Compound: 5-[1-(2,5-dimethylphenyl)sulfonyl-4-piperidinyl]-3-[(4-methylphenyl)methyl]-2H-triazolo[4,5-d]pyrimidin-7-one
SMILES: CC1=CC=C(C=C1)CN2C3=NC(=NC(=O)C3=NN2)C4CCN(CC4)S(=O)(=O)C5=C(C=CC(=C5)C)C
Compound: 2-(4-chlorophenyl)acetic acid [[amino(2-pyridinyl)methylidene]amino] ester
SMILES: C1=CC=NC(=C1)C(=NOC(=O)CC2=CC=C(C=C2)Cl)N
Compound: 4-[4-(3-bromophenyl)sulfonyl-1-piperazinyl]-7-chloroquinoline
SMILES: C1CN(CCN1C2=C3C=CC(=CC3=NC=C2)Cl)S(=O)(=O)C4=CC(=CC=C4)Br
Compound: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-3-pyrrolidinecarboxamide
SMILES: C1CC1C2=NN=C(S2)NC(=O)C3CC(=O)N(C3)C4=CC5=C(C=C4)OCCO5
Compound: 4-[cyclohexyl(methyl)amino]-N-(6-methyl-2-pyridinyl)-3-nitrobenzamide
SMILES: CC1=NC(=CC=C1)NC(=O)C2=CC(=C(C=C2)N(C)C3CCCCC3)[N+](=O)[O-]
Compound: 1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]-4-phenylpiperazine
SMILES: C1CN(CCN1C2=CC=CC=C2)C3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]
Compound: 6-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-N2-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILES: CC1=CC(=CC=C1)NC2=NC(=NC(=N2)N)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5
Compound: 1-[(1-cyclopentyl-5-tetrazolyl)-thiophen-2-ylmethyl]-4-(2-methoxyphenyl)piperazine
SMILES: COC1=CC=CC=C1N2CCN(CC2)C(C3=CC=CS3)C4=NN=NN4C5CCCC5
Compound: 4-methyl-6-(2,2,3,3,4,4,5,5-octafluoropentoxy)-2-pyrimidinamine
SMILES: CC1=CC(=NC(=N1)N)OCC(C(C(C(F)F)(F)F)(F)F)(F)F
Compound: 7-(3,4-dimethoxyphenyl)-4-methyl-2-[4-(phenylmethyl)-1-piperazinyl]-7,8-dihydro-6H-quinazolin-5-one
SMILES: CC1=NC(=NC2=C1C(=O)CC(C2)C3=CC(=C(C=C3)OC)OC)N4CCN(CC4)CC5=CC=CC=C5
Compound: 5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-(4-methoxyanilino)-4-thiazolone
SMILES: COC1=CC=C(C=C1)NC2=NC(=O)C(=CC3=CC(=C(C=C3)O)OC)S2
Compound: 4-methoxy-N-[5-(4-methoxyphenyl)-4-(4-nitrophenyl)-2-thiazolyl]benzamide
SMILES: COC1=CC=C(C=C1)C2=C(N=C(S2)NC(=O)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)[N+](=O)[O-]
Compound: 1-(5-isoquinolinyl)-3-(2-phenylethyl)thiourea
SMILES: C1=CC=C(C=C1)CCNC(=S)NC2=CC=CC3=C2C=CN=C3
Compound: 1-methyl-N-[4-(4-morpholinyl)phenyl]-2-quinolinimine
SMILES: CN1C(=NC2=CC=C(C=C2)N3CCOCC3)C=CC4=CC=CC=C41
Compound: 6-methyl-2-(methylthio)-N-phenyl-5-prop-2-enyl-4-pyrimidinamine
SMILES: CC1=C(C(=NC(=N1)SC)NC2=CC=CC=C2)CC=C
Compound: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[5-[(4-chlorophenoxy)methyl]-2-furanyl]methanone
SMILES: C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(O4)COC5=CC=C(C=C5)Cl
Compound: N-[3-(diethylamino)propyl]-1,5-dimethyl-4-oxo-2-pyrrolo[3,2-c]quinolinecarboxamide
SMILES: CCN(CC)CCCNC(=O)C1=CC2=C(N1C)C3=CC=CC=C3N(C2=O)C
Compound: 1-[4-(2-methoxyphenyl)-1-piperazinyl]-2-[[5-(2-methyl-3-furanyl)-1,3,4-oxadiazol-2-yl]thio]ethanone
SMILES: CC1=C(C=CO1)C2=NN=C(O2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4OC
Compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-4-pyrazolesulfonamide
SMILES: CN1C=C(C=N1)S(=O)(=O)NC2=CC3=C(C=C2)OCCO3
Compound: 7-hydroxy-8-methyl-4-[[methyl-(phenylmethyl)amino]methyl]-1-benzopyran-2-one
SMILES: CC1=C(C=CC2=C1OC(=O)C=C2CN(C)CC3=CC=CC=C3)O
Compound: 6-amino-4-(4-fluorophenyl)-3-methyl-1-phenyl-5-pyrazolo[3,4-b]pyridinecarbonitrile
SMILES: CC1=NN(C2=C1C(=C(C(=N2)N)C#N)C3=CC=C(C=C3)F)C4=CC=CC=C4
Compound: 4-methyl-N-(3-nitrophenyl)-5-phenyl-3-thiophenecarboxamide
SMILES: CC1=C(SC=C1C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3
Compound: N-[(1-cyclohexyl-5-tetrazolyl)-thiophen-2-ylmethyl]-N-(phenylmethyl)ethanamine
SMILES: CCN(CC1=CC=CC=C1)C(C2=CC=CS2)C3=NN=NN3C4CCCCC4
Compound: 2-[4-(2-methyl-4-quinolinyl)-1-piperazinyl]-4-phenylthiazole
SMILES: CC1=NC2=CC=CC=C2C(=C1)N3CCN(CC3)C4=NC(=CS4)C5=CC=CC=C5
Compound: 2-[2-(4-methoxyphenyl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one
SMILES: COC1=CC=C(C=C1)C(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O
Compound: 2-(3-amino-1-isoindolylidene)-2-cyano-N-(2-methoxyethyl)acetamide
SMILES: COCCNC(=O)C(=C1C2=CC=CC=C2C(=N1)N)C#N
Compound: 1-(2-methoxyphenyl)-3-[(4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]thiourea
SMILES: COC1=CC=CC=C1NC(=S)NNC=C2C=CC(=O)C=C2
Compound: N-[1-(2,5-dimethoxyphenyl)-3-[2-[(5-methyl-2-thiophenyl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
SMILES: CC1=CC=C(S1)C=NNC(=O)C(=CC2=C(C=CC(=C2)OC)OC)NC(=O)C3=CC=CC=C3
Compound: 4-chloro-N-[(phenacylamino)-sulfanylidenemethyl]benzamide
SMILES: C1=CC=C(C=C1)C(=O)CNC(=S)NC(=O)C2=CC=C(C=C2)Cl
Compound: N-[1-[[anilino(sulfanylidene)methyl]amino]-2,2,2-trichloroethyl]-2-(4-ethylphenoxy)acetamide
SMILES: CCC1=CC=C(C=C1)OCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC=C2
Compound: 4-(3,4-dihydro-2H-quinolin-1-yl)-6-[(4-phenyl-1-piperazinyl)methyl]-1,3,5-triazin-2-amine
SMILES: C1CC2=CC=CC=C2N(C1)C3=NC(=NC(=N3)CN4CCN(CC4)C5=CC=CC=C5)N
Compound: 2-(2-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethylamino]-4-oxazolecarbonitrile
SMILES: COC1=CC=C(C=C1)CCNC2=C(N=C(O2)C3=CC=CC=C3OC)C#N
Compound: N-butan-2-yl-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
SMILES: CCC(C)NC(=O)C1=C(C(=O)OC12CCC(CC2)C)C
Compound: 3-[4-(diethylsulfamoyl)phenyl]-N-[4-(4-morpholinyl)phenyl]-2-propenamide
SMILES: CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C=CC(=O)NC2=CC=C(C=C2)N3CCOCC3
Compound: 1-[4-[[(5-methyl-7-oxo-4H-isothiazolo[4,3-d]pyrimidin-3-yl)-oxomethyl]amino]phenyl]-3-piperidinecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1CCCN(C1)C2=CC=C(C=C2)NC(=O)C3=C4C(=NS3)C(=O)N=C(N4)C
Compound: 7-(2-oxopropoxy)-3-phenyl-1-benzopyran-2-one
SMILES: CC(=O)COC1=CC2=C(C=C1)C=C(C(=O)O2)C3=CC=CC=C3
Compound: 2-(2-chloro-6-fluorophenyl)-1-(2,4-dihydroxyphenyl)ethanone
SMILES: C1=CC(=C(C(=C1)Cl)CC(=O)C2=C(C=C(C=C2)O)O)F
Compound: 4-(4-chlorophenyl)-4-oxobutanoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester
SMILES: C1=COC(=C1)CNC(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)Cl
Compound: 2-[5-[2-[(4-methylphenyl)thio]-1-oxoethyl]-2-thiophenyl]acetic acid
SMILES: CC1=CC=C(C=C1)SCC(=O)C2=CC=C(S2)CC(=O)O
Compound: 2-[2-[[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl]thio]-4-thiazolyl]acetic acid ethyl ester
SMILES: CCOC(=O)CC1=CSC(=N1)SCC(=O)NC2=C(C3=C(S2)CCC3)C(=O)N
Compound: 1-[[2-(3-methylanilino)-1-oxoethyl]amino]-3-phenylthiourea
SMILES: CC1=CC(=CC=C1)NCC(=O)NNC(=S)NC2=CC=CC=C2
Compound: 9-ethyl-3-carbazolecarboxaldehyde oxime
SMILES: CCN1C2=C(C=C(C=C2)C=NO)C3=CC=CC=C31
Compound: LSM-20446
SMILES: CCOC(=O)C1C(N(C(=S)N=C1C)C(=O)C)C2=CC=C(C=C2)Cl
Compound: N-(1H-benzimidazol-2-yl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
SMILES: C=CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NC4=CC=CC=C4N3
Compound: N'-[(2-nitrophenyl)-oxomethyl]-2-pyridinecarbohydrazide
SMILES: C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC=CC=N2)[N+](=O)[O-]
Compound: N-(6-chloro-1,3-benzothiazol-2-yl)-1,5-dimethyl-3-pyrazolecarboxamide
SMILES: CC1=CC(=NN1C)C(=O)NC2=NC3=C(S2)C=C(C=C3)Cl
Compound: 4-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydro-1,4-benzoxazine
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C(COC3=CC=CC=C32)C4=CC=CC=C4
Compound: 4-methoxy-N-(3-methyl-2-thiazolylidene)benzamide
SMILES: CN1C=CSC1=NC(=O)C2=CC=C(C=C2)OC
Compound: N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
SMILES: CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC4=C(C=C3)C(=O)N5CCCCCC5=N4
Compound: 4-(4-methylphenyl)sulfonyl-4-oxanecarboxylic acid methyl ester
SMILES: CC1=CC=C(C=C1)S(=O)(=O)C2(CCOCC2)C(=O)OC
Compound: 6-ethyl-7-hydroxy-4-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-1-benzopyran-2-one
SMILES: CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3CCN(CC3)CCO)O
Compound: 2-[[4-cyano-3-[(2-methoxy-2-oxoethyl)thio]-5-isothiazolyl]thio]acetic acid ethenyl ester
SMILES: COC(=O)CSC1=NSC(=C1C#N)SCC(=O)OC=C
Compound: 5-[(cyclohexylamino)-oxomethyl]-4-methyl-2-[(1-oxo-2-thiophen-2-ylethyl)amino]-3-thiophenecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(SC(=C1C)C(=O)NC2CCCCC2)NC(=O)CC3=CC=CS3
Compound: 1-(4-chlorophenyl)-5-[1-(2-oxolanylmethylamino)ethylidene]-1,3-diazinane-2,4,6-trione
SMILES: CC(=C1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)Cl)NCC3CCCO3
Compound: 1-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]-3-ethylthiourea
SMILES: CCNC(=S)NN=CC1=CC(=CC=C1)OCC2=C(C=CC=C2Cl)F
Compound: N3,N6-bis(2,5-dimethoxyphenyl)pyridazine-3,6-diamine
SMILES: COC1=CC(=C(C=C1)OC)NC2=NN=C(C=C2)NC3=C(C=CC(=C3)OC)OC
Compound: N'-[[3-(4-methylphenyl)sulfonyl-2-oxazolidinyl]methyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCOC2CNC(=O)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N
Compound: N-(3-ethoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-3-piperidinecarboxamide
SMILES: CCOC1=CC=CC(=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)OC
Compound: 1-[5-[[anilino(oxo)methyl]amino]-1,3-dimethyl-2-oxo-4-imidazolidinyl]-3-phenylurea
SMILES: CN1C(C(N(C1=O)C)NC(=O)NC2=CC=CC=C2)NC(=O)NC3=CC=CC=C3
Compound: 2-[(4-aminophenyl)thio]-N-(3-nitrophenyl)acetamide
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=CC=C(C=C2)N
Compound: 6-[[(4-chlorophenyl)thio]methyl]-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
SMILES: C1=CC=C(C=C1)N2C(=O)C3=C(N2)NC(=CC3=O)CSC4=CC=C(C=C4)Cl
Compound: 1,4-bis[(4-methoxy-2-methylphenyl)sulfonyl]-1,4-diazepane
SMILES: CC1=C(C=CC(=C1)OC)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)OC)C
Compound: 7,9-dimethyl-2-(phenylmethylthio)-1H-pyrido[2,3]thieno[2,4-b]pyrimidin-4-one
SMILES: CC1=CC(=NC2=C1C3=C(S2)C(=O)N=C(N3)SCC4=CC=CC=C4)C
Compound: N-[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide
SMILES: C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=CC(=O)NC5=CC=CC=C54
Compound: 2-bromo-N-(phenylmethyl)benzenesulfonamide
SMILES: C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=CC=C2Br
Compound: 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(5-methyl-4-phenyl-2-thiazolyl)acetamide
SMILES: CC1=C(N=C(S1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2)C4=CC=CC=C4
Compound: N-(3,4-dimethyl-2-thiazolylidene)benzamide
SMILES: CC1=CSC(=NC(=O)C2=CC=CC=C2)N1C
Compound: 2-amino-4-(3-chlorophenyl)-6-(2-furanylmethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylic acid methyl ester
SMILES: CC1=CC2=C(C(C(=C(O2)N)C(=O)OC)C3=CC(=CC=C3)Cl)C(=O)N1CC4=CC=CO4
Compound: N-(3,7-dimethylocta-2,6-dienylideneamino)-2-nitrobenzamide
SMILES: CC(=CCCC(=CC=NNC(=O)C1=CC=CC=C1[N+](=O)[O-])C)C
Compound: (3,5-dimethyl-1-pyrazolyl)-(2-ethyl-4-nitro-3-pyrazolyl)methanone
SMILES: CCN1C(=C(C=N1)[N+](=O)[O-])C(=O)N2C(=CC(=N2)C)C
Compound: 1,2,3,4a-tetrahydrophenothiazin-4-one
SMILES: C1CC2=NC3=CC=CC=C3SC2C(=O)C1
Compound: 5-[(4-hydroxy-3-nitrophenyl)methylidene]-3-methyl-2-sulfanylidene-4-imidazolidinone
SMILES: CN1C(=O)C(=CC2=CC(=C(C=C2)O)[N+](=O)[O-])NC1=S
Compound: benzenesulfonic acid [2-methoxy-5-[[[(3-nitrophenyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester
SMILES: COC1=C(C=C(C=C1)C=NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])OS(=O)(=O)C3=CC=CC=C3
Compound: 2-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]-N-[(2-hydroxy-5-nitrophenyl)methyl]acetamide
SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)NCC4=C(C=CC(=C4)[N+](=O)[O-])O
Compound: 2-(1,3-benzothiazol-2-yl)-3-methyl-2-butenenitrile
SMILES: CC(=C(C#N)C1=NC2=CC=CC=C2S1)C
Compound: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one
SMILES: C1COC2=C(O1)C=CC(=C2)C(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O
Compound: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-6-amino-4-(4-chlorophenyl)pyridine-3,5-dicarbonitrile
SMILES: C1C2CC3(CC1CC(C3)C2)C(=O)CSC4=C(C(=C(C(=N4)N)C#N)C5=CC=C(C=C5)Cl)C#N
Compound: 2-[[(4-chlorophenyl)thio]methyl]-5-methylimidazo[1,2-a]pyridine
SMILES: CC1=CC=CC2=NC(=CN12)CSC3=CC=C(C=C3)Cl
Compound: [4-(2-pyridinyl)-1-piperazinyl]-[2-(3,4,5-trimethoxyphenyl)-4-quinolinyl]methanone
SMILES: COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C5=CC=CC=N5
Compound: (5-phenyl-3-isoxazolyl)-(1-pyrrolidinyl)methanone
SMILES: C1CCN(C1)C(=O)C2=NOC(=C2)C3=CC=CC=C3
Compound: 3-[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid
SMILES: C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)C=CC(=O)O
Compound: 6-amino-4-(1,3-benzodioxol-5-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylic acid 2-methoxyethyl ester
SMILES: CC1=C(C(C(=C(O1)N)C#N)C2=CC3=C(C=C2)OCO3)C(=O)OCCOC
Compound: N-[4-[[(1-oxohexylamino)-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide
SMILES: CCCCCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)C2=CC=CO2
Compound: LSM-20487
SMILES: CC1=CC=C(C=C1)N2C=NC3=C4C2=CC(=NC4=C(C=C3)C)C
Compound: N-(2-furanylmethyl)-3-(2-methoxyphenyl)-4-oxo-1-phthalazinecarboxamide
SMILES: COC1=CC=CC=C1N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC4=CC=CO4
Compound: N-propyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-2-thiophenecarboxamide
SMILES: CCCN(C1=NN=C(S1)C2=CC=NC=C2)C(=O)C3=CC=CS3
Compound: 2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)amino]-1-(4-nitrophenyl)ethanol
SMILES: CC1=C(SC2=NC=NC(=C12)NCC(C3=CC=C(C=C3)[N+](=O)[O-])O)C
Compound: 3-(4-oxo-1H-quinazolin-2-yl)propanoic acid [1-(4-bromophenyl)-1-oxopropan-2-yl] ester
SMILES: CC(C(=O)C1=CC=C(C=C1)Br)OC(=O)CCC2=NC(=O)C3=CC=CC=C3N2
Compound: 4-[2-[(2,5-dioxo-1-phenyl-4-imidazolidinylidene)methyl]-1-pyrrolyl]benzoic acid
SMILES: C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=CN3C4=CC=C(C=C4)C(=O)O)NC2=O
Compound: 3-[[1,3-benzodioxol-5-ylmethyl-[(1-cyclopentyl-5-tetrazolyl)methyl]amino]methyl]-6-ethyl-1H-quinolin-2-one
SMILES: CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC4=C(C=C3)OCO4)CC5=NN=NN5C6CCCC6
Compound: 2-[[4-[(4-methoxyphenyl)methylidene]-5-oxo-1-phenyl-2-imidazolyl]thio]-N-(5-methyl-3-isoxazolyl)acetamide
SMILES: CC1=CC(=NO1)NC(=O)CSC2=NC(=CC3=CC=C(C=C3)OC)C(=O)N2C4=CC=CC=C4
Compound: 3,5-dimethyl-N-(2-phenylethyl)-N-(phenylmethyl)-4-isoxazolesulfonamide
SMILES: CC1=C(C(=NO1)C)S(=O)(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3
Compound: 2-(5-chloro-2-pyridinyl)-3-(4-ethoxyanilino)-3H-isoindol-1-one
SMILES: CCOC1=CC=C(C=C1)NC2C3=CC=CC=C3C(=O)N2C4=NC=C(C=C4)Cl
Compound: 6-amino-4-(2,3-dimethoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile
SMILES: CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=C(C(=CC=C3)OC)OC)C4=CC=CC=C4
Compound: 3,8-dibromo-7-hydroxy-4-methyl-1-benzopyran-2-one
SMILES: CC1=C(C(=O)OC2=C1C=CC(=C2Br)O)Br
Compound: 4-(2,4-dichlorophenyl)-2-[(1-oxo-2-phenylethyl)amino]-3-thiophenecarboxamide
SMILES: C1=CC=C(C=C1)CC(=O)NC2=C(C(=CS2)C3=C(C=C(C=C3)Cl)Cl)C(=O)N
Compound: 1,2,3,4-tetrahydroacridine-9-carboxylic acid (2-oxo-2-thiophen-2-ylethyl) ester
SMILES: C1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC(=O)C4=CC=CS4
Compound: N-(4-anilinophenyl)-2-methylpropanamide
SMILES: CC(C)C(=O)NC1=CC=C(C=C1)NC2=CC=CC=C2
Compound: 1-[1-(4-methylphenyl)ethylideneamino]-3-(2-phenylethyl)thiourea
SMILES: CC1=CC=C(C=C1)C(=NNC(=S)NCCC2=CC=CC=C2)C
Compound: N-(2,3-dihydro-1H-inden-5-yl)-5-methyl-2-pyrazinecarboxamide
SMILES: CC1=NC=C(N=C1)C(=O)NC2=CC3=C(CCC3)C=C2
Compound: N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-fluorophenyl)acetamide
SMILES: CC(C)(C)C1=CC=C(C=C1)OCCNC(=O)CC2=CC=C(C=C2)F
Compound: 4-[[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C=C(N2)C
Compound: 1-(3-cyano-7-methoxy-2-quinolinyl)-4-piperidinecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1CCN(CC1)C2=NC3=C(C=CC(=C3)OC)C=C2C#N
Compound: 2-[(2-methoxyphenoxy)methyl]-1H-benzimidazole
SMILES: COC1=CC=CC=C1OCC2=NC3=CC=CC=C3N2
Compound: 2-[2-[bis(4-methoxyphenyl)methylidene]hydrazinyl]benzoic acid
SMILES: COC1=CC=C(C=C1)C(=NNC2=CC=CC=C2C(=O)O)C3=CC=C(C=C3)OC
Compound: 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetic acid pentyl ester
SMILES: CCCCCOC(=O)CC1=C(C2=CC=CC=C2NC1=O)O
Compound: N-(2-furanylmethyl)-3-(2-furanylmethylimino)-1-isoindolamine
SMILES: C1=CC=C2C(=C1)C(=NC2=NCC3=CC=CO3)NCC4=CC=CO4
Compound: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(2-methoxyphenyl)-1-piperazinyl]acetamide
SMILES: COC1=CC=CC=C1N2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F
Compound: 1-[2-furanyl(oxo)methyl]-2-benzo[cd]indolone
SMILES: C1=CC2=C3C(=C1)C(=O)N(C3=CC=C2)C(=O)C4=CC=CO4
Compound: N-cyclopropyl-1-[1-[[5-(2-methylpropyl)-1H-pyrazol-3-yl]-oxomethyl]-4-piperidinyl]-4-piperidinecarboxamide
SMILES: CC(C)CC1=CC(=NN1)C(=O)N2CCC(CC2)N3CCC(CC3)C(=O)NC4CC4
Compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2-pyridinylthio)methyl]-4-triazolecarboxylic acid propan-2-yl ester
SMILES: CC(C)OC(=O)C1=C(N(N=N1)C2=NON=C2N)CSC3=CC=CC=N3
Compound: 2-(3-acetyl-2-methyl-5-phenyl-1-pyrrolyl)-N-(thiophen-2-ylmethyl)acetamide
SMILES: CC1=C(C=C(N1CC(=O)NCC2=CC=CS2)C3=CC=CC=C3)C(=O)C
Compound: N-(1,3-benzodioxol-5-ylmethyl)-3-cyclopentyl-2,4-dioxo-1H-quinazoline-7-carboxamide
SMILES: C1CCC(C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC5=C(C=C4)OCO5)NC2=O
Compound: LSM-20517
SMILES: C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)CC6=CN=CC=C6
Compound: N-[2-(1H-indol-3-yl)ethyl]-4-(phenylmethyl)-5-thieno[3,2-b]pyrrolecarboxamide
SMILES: C1=CC=C(C=C1)CN2C3=C(C=C2C(=O)NCCC4=CNC5=CC=CC=C54)SC=C3
Compound: N-butan-2-yl-5-(6-oxo-1-cyclohexa-2,4-dienylidene)-2H-isoxazole-3-carboxamide
SMILES: CCC(C)NC(=O)C1=CC(=C2C=CC=CC2=O)ON1
Compound: [4-(3-chlorophenyl)-1-piperazinyl]-[1-[4-(2-pyridinyl)-1-piperazinyl]-4-isoquinolinyl]methanone
SMILES: C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=CN=C(C4=CC=CC=C43)N5CCN(CC5)C6=CC=CC=N6
Compound: N-(2-fluorophenyl)-3-[4-(2-fluorophenyl)-1-piperazinyl]propanamide
SMILES: C1CN(CCN1CCC(=O)NC2=CC=CC=C2F)C3=CC=CC=C3F
Compound: 2-furancarboxylic acid [4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl] ester
SMILES: CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=C(C=C3)OC(=O)C4=CC=CO4
Compound: N-[5-[2-(4-chloroanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]-2-furancarboxamide
SMILES: CC1=C(SC(=N1)NC(=O)C2=CC=CO2)C3=CSC(=N3)NC4=CC=C(C=C4)Cl
Compound: 4-[[[2-(cyclohexylamino)-3,4-dioxo-1-cyclobutenyl]amino]methyl]-N-(4-ethoxyphenyl)benzamide
SMILES: CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CNC3=C(C(=O)C3=O)NC4CCCCC4
Compound: 3-chlorobenzoic acid [[amino-(5-methyl-3-isoxazolyl)methylidene]amino] ester
SMILES: CC1=CC(=NO1)C(=NOC(=O)C2=CC(=CC=C2)Cl)N
Compound: 2-[2-[[2-[[1-(4-methoxyphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-1-oxoethyl]amino]-4-thiazolyl]acetic acid ethyl ester
SMILES: CCOC(=O)CC1=CSC(=N1)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)OC
Compound: 2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-phenylacetonitrile
SMILES: CC1=NC2=NC=NN2C(=C1)C(C#N)C3=CC=CC=C3
Compound: 1-[3-[2-cyano-3-(2-furanylmethylamino)-3-oxoprop-1-enyl]-4-oxo-2-pyrido[1,2-a]pyrimidinyl]-4-piperidinecarboxamide
SMILES: C1CN(CCC1C(=O)N)C2=C(C(=O)N3C=CC=CC3=N2)C=C(C#N)C(=O)NCC4=CC=CO4
Compound: 5-[5-(2,3-dihydroindol-1-ylsulfonyl)-2,3-dihydroindol-1-yl]-5-oxopentanoic acid
SMILES: C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC4=C(C=C3)N(CC4)C(=O)CCCC(=O)O
Compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-fluorophenoxy)methyl]-N-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-4-triazolecarboxamide
SMILES: CC1=CC(=CC=C1)COC2=CC=C(C=C2)C=NNC(=O)C3=C(N(N=N3)C4=NON=C4N)COC5=CC=C(C=C5)F
Compound: N-(4-acetamidophenyl)-4-(1,3-dioxo-2-isoindolyl)butanamide
SMILES: CC(=O)NC1=CC=C(C=C1)NC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O
Compound: 3-(2-fluorophenyl)-2-(4-fluorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILES: C1CC2C(=O)N(C(N2C1)C3=CC=CC=C3F)C4=CC=C(C=C4)F
Compound: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(2-methyl-3-furanyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]thio]acetamide
SMILES: CCC1=NN=C(S1)NC(=O)CSC2=NN=C(N2CC(C)C)C3=C(OC=C3)C
Compound: N-(4-chlorophenyl)-4-methyl-2-thiazolamine
SMILES: CC1=CSC(=N1)NC2=CC=C(C=C2)Cl
Compound: 4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]benzoic acid ethyl ester
SMILES: CCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)C
Compound: 4-(5-bromo-2-thiophenyl)-6-methyl-2-(1-pyrrolyl)pyrimidine
SMILES: CC1=NC(=NC(=C1)C2=CC=C(S2)Br)N3C=CC=C3
Compound: N-(4,6-dimethyl-2-pyrimidinyl)-1,3-bis(phenylmethyl)-2,4-dihydro-1,3,5-triazin-6-amine
SMILES: CC1=CC(=NC(=N1)NC2=NCN(CN2CC3=CC=CC=C3)CC4=CC=CC=C4)C
Compound: 3-[5-[(4-chlorophenyl)methylthio]-1,3,4-oxadiazol-2-yl]-1-(phenylmethyl)-2-pyridinone
SMILES: C1=CC=C(C=C1)CN2C=CC=C(C2=O)C3=NN=C(O3)SCC4=CC=C(C=C4)Cl
Compound: 2-[(2-phenyl-4-benzofuro[3,2-d]pyrimidinyl)thio]acetic acid
SMILES: C1=CC=C(C=C1)C2=NC3=C(C(=N2)SCC(=O)O)OC4=CC=CC=C43
Compound: 1-[4-amino-3-[2-(1-pyrrolidinyl)ethylthio]-5-thieno[2,3-c]isothiazolyl]ethanone
SMILES: CC(=O)C1=C(C2=C(SN=C2S1)SCCN3CCCC3)N
Compound: 5-[(2-chloro-6-fluorophenyl)methyl]-N-[2-[4-(4-methoxyphenyl)-1-piperazinyl]ethyl]-1,3,4-oxadiazole-2-carboxamide
SMILES: COC1=CC=C(C=C1)N2CCN(CC2)CCNC(=O)C3=NN=C(O3)CC4=C(C=CC=C4Cl)F
Compound: 7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid
SMILES: C1CC2=C(C1)N=C3C=CC(=CC3=C2C(=O)O)Cl
Compound: 1-tetradecanoyl-2,3-dioleoyl-sn-glycerol
SMILES: O([C@H](COC(CCCCCCCCCCCCC)=O)COC(=O)CCCCCCC/C=C\CCCCCCCC)C(=O)CCCCCCC/C=C\CCCCCCCC
Compound: N-[3-(2-methylcyclohexyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine
SMILES: CC1CCCCC1N2CNC(=NC2)NC3=NC4=CC=CC=C4S3
Compound: 3-[4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-3-(2-oxo-1-benzopyran-3-yl)-1-pyrazolyl]propanoic acid
SMILES: C1=CC=C2C(=C1)C=C(C(=O)O2)C3=NN(C=C3C=C4C(=O)NC(=S)NC4=O)CCC(=O)O
Compound: N-(4-fluorophenyl)-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thio]propanamide
SMILES: C1=CC(=CC=C1NC(=O)CCSC2=NN=C(O2)C3=CC=NC=C3)F
Compound: 2-[[6-(2-furanyl)-3-pyridazinyl]thio]-1-(1-piperidinyl)ethanone
SMILES: C1CCN(CC1)C(=O)CSC2=NN=C(C=C2)C3=CC=CO3
Compound: N-(2-furanylmethyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-2-thiophenecarboxamide
SMILES: CC1=CC=CC2=C1NC(=O)C(=C2)CN(CC3=CC=CO3)C(=O)C4=CC=CS4
Compound: N-(2-furanylmethyl)-3-[3-[(4-methoxyphenyl)methyl]-2-imidazo[4,5-b]pyridinyl]propanamide
SMILES: COC1=CC=C(C=C1)CN2C(=NC3=C2N=CC=C3)CCC(=O)NCC4=CC=CO4
Compound: 1-(1-tert-butyl-5-tetrazolyl)-N-[(4-fluorophenyl)methyl]-N-(2-furanylmethyl)-1-[4-(trifluoromethyl)phenyl]methanamine
SMILES: CC(C)(C)N1C(=NN=N1)C(C2=CC=C(C=C2)C(F)(F)F)N(CC3=CC=C(C=C3)F)CC4=CC=CO4
Compound: (5-methoxy-3-benzofuranyl)-phenylmethanone
SMILES: COC1=CC2=C(C=C1)OC=C2C(=O)C3=CC=CC=C3
Compound: 2,5-dimethyl-1-(3-methylphenyl)-N-(4-methylphenyl)-3-pyrrolecarboxamide
SMILES: CC1=CC=C(C=C1)NC(=O)C2=C(N(C(=C2)C)C3=CC=CC(=C3)C)C
Compound: 1-[(3,4-dimethoxyphenyl)-[1-(2-methoxyethyl)-5-tetrazolyl]methyl]-2,3-dihydroindole
SMILES: COCCN1C(=NN=N1)C(C2=CC(=C(C=C2)OC)OC)N3CCC4=CC=CC=C43
Compound: 2-(2-methoxyphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide
SMILES: COC1=CC=CC=C1CNC(=O)COC2=CC=CC=C2OC
Compound: 1-(4-methylphenyl)-N-(4-phenyl-1-piperazinyl)methanimine
SMILES: CC1=CC=C(C=C1)C=NN2CCN(CC2)C3=CC=CC=C3
Compound: 3-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester
SMILES: C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)NCC4=CC=CO4
Compound: N-[3-chloro-2-(1-piperidinyl)phenyl]-4-(4-morpholinyl)-3-nitrobenzamide
SMILES: C1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]
Compound: N-[1,4-dioxo-3-(1-pyridin-1-iumyl)-2-naphthalenyl]-2-thiophenesulfonamide
SMILES: C1=CC=[N+](C=C1)C2=C(C(=O)C3=CC=CC=C3C2=O)NS(=O)(=O)C4=CC=CS4
Compound: N-(3-fluoro-4-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILES: CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)C)F
Compound: 1-[2-[(4-chlorophenyl)thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=CC=C(C=C2)Cl
Compound: 3-bromo-N-[5-(4-morpholinylsulfonyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILES: C1COCCN1S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC(=CC=C3)Br
Compound: 5-methyl-N-[1-(phenylmethyl)-4-piperidinyl]-4-thieno[2,3-d]pyrimidinamine
SMILES: CC1=CSC2=NC=NC(=C12)NC3CCN(CC3)CC4=CC=CC=C4
Compound: 2-[(4-methoxyphenyl)hydrazinylidene]-5,5-dimethylcyclohexane-1,3-dione
SMILES: CC1(CC(=O)C(=NNC2=CC=C(C=C2)OC)C(=O)C1)C
Compound: 3-(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
SMILES: CCC1CCC2=C(C1)C=C(S2)C3=NNC(=S)N3CC=C
Compound: 5-(1,3-benzodioxol-5-ylmethylamino)-2-(4-morpholinyl)benzoic acid methyl ester
SMILES: COC(=O)C1=C(C=CC(=C1)NCC2=CC3=C(C=C2)OCO3)N4CCOCC4
Compound: 5-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylamino]-2-(4-morpholinyl)benzoic acid
SMILES: COC1=C(C=CC(=C1)CNC2=CC(=C(C=C2)N3CCOCC3)C(=O)O)OCC(=O)N
Compound: 3,6-bis(2-furanyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILES: C1=COC(=C1)C2=NN=C3N2N=C(S3)C4=CC=CO4
Compound: 4-methyl-N-(3-methylbutyl)-5-(5-methyl-3-phenyl-4H-isoxazol-5-yl)-2-thiazolecarboxamide
SMILES: CC1=C(SC(=N1)C(=O)NCCC(C)C)C2(CC(=NO2)C3=CC=CC=C3)C
Compound: 2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]-N-methyl-N-(4-phenyl-2-thiazolyl)acetamide
SMILES: CC1=CC2=C(C=CC(=C2)OC)N3C1=NN=C3SCC(=O)N(C)C4=NC(=CS4)C5=CC=CC=C5
Compound: 2-[bis(5-methyl-2-furanyl)methyl]-6-nitrophenol
SMILES: CC1=CC=C(O1)C(C2=C(C(=CC=C2)[N+](=O)[O-])O)C3=CC=C(O3)C
Compound: LSM-20571
SMILES: CC1(CC(=O)C(C(=O)C1)C=NCC2=CC=C(C=C2)OC)C
Compound: 2-amino-1-[2-(4-morpholinyl)ethyl]-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CCN4CCOCC4)N
Compound: 7-amino-2-methyl-3-phenyl-6-pyrazolo[1,5-a]pyrimidinecarbonitrile
SMILES: CC1=NN2C(=C(C=NC2=C1C3=CC=CC=C3)C#N)N
Compound: 5-ethyl-4-oxo-N-(thiophen-2-ylmethyl)-2-thieno[3,2-c]quinolinecarboxamide
SMILES: CCN1C2=CC=CC=C2C3=C(C1=O)C=C(S3)C(=O)NCC4=CC=CS4
Compound: 1-pyrrolidinyl-[5-(6-quinolinyloxymethyl)-3-isoxazolyl]methanone
SMILES: C1CCN(C1)C(=O)C2=NOC(=C2)COC3=CC4=C(C=C3)N=CC=C4
Compound: 4-[2-[(2-ethoxy-2-oxoethyl)thio]-4-oxo-3-thieno[3,2-d]pyrimidinyl]-1-piperidinecarboxylic acid ethyl ester
SMILES: CCOC(=O)CSC1=NC2=C(C(=O)N1C3CCN(CC3)C(=O)OCC)SC=C2
Compound: N-(2-chlorophenyl)-2-[[cyclopropyl(oxo)methyl]amino]-4-methyl-5-thiazolecarboxamide
SMILES: CC1=C(SC(=N1)NC(=O)C2CC2)C(=O)NC3=CC=CC=C3Cl
Compound: N-(4-oxo-2-thieno[3,2-d][1,3]thiazinyl)-2-furancarboxamide
SMILES: C1=COC(=C1)C(=O)NC2=NC3=C(C(=O)S2)SC=C3
Compound: 5-(3-phenoxypropyl)-3-(3-pyridinyl)-1,2,4-oxadiazole
SMILES: C1=CC=C(C=C1)OCCCC2=NC(=NO2)C3=CN=CC=C3
Compound: 4-(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine
SMILES: CC1CCC2=C(C1)SC3=NC=NC(=C23)N4CCOCC4
Compound: 1-(4-bromophenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea
SMILES: COC1=CC=CC=C1OCCNC(=O)NC2=CC=C(C=C2)Br
Compound: 3-(5-methyl-2-furanyl)-N-(2-pyridinylmethyl)-2-propenamide
SMILES: CC1=CC=C(O1)C=CC(=O)NCC2=CC=CC=N2
Compound: [4-[5-tert-butyl-3-(phenylmethyl)-7-triazolo[4,5-d]pyrimidinyl]-1-piperazinyl]-(2-furanyl)methanone
SMILES: CC(C)(C)C1=NC2=C(C(=N1)N3CCN(CC3)C(=O)C4=CC=CO4)N=NN2CC5=CC=CC=C5
Compound: 2-(2-fluorophenyl)-5-phenyl-4-thieno[2,3-d][1,3]oxazinone
SMILES: C1=CC=C(C=C1)C2=CSC3=C2C(=O)OC(=N3)C4=CC=CC=C4F
Compound: 3-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole
SMILES: CC1=CC=C(C=C1)C2=NC(=NO2)C3=CC=C(C=C3)OC
Compound: 2-chloro-N-(2-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)acetamide
SMILES: CC1=CC2=C(C=C1)NC(=O)C3=C(O2)C=CC(=C3)NC(=O)CCl
Compound: 1-[1-[1-(1,3-benzodioxol-5-ylmethyl)-5-tetrazolyl]-2-methylpropyl]-4-phenylpiperazine
SMILES: CC(C)C(C1=NN=NN1CC2=CC3=C(C=C2)OCO3)N4CCN(CC4)C5=CC=CC=C5
Compound: 8-chloro-1,2,3,4a-tetrahydrophenothiazin-4-one
SMILES: C1CC2=NC3=C(C=CC(=C3)Cl)SC2C(=O)C1
Compound: N-(4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)benzenesulfonamide
SMILES: C1=CC=C(C=C1)C2NC3=CC=CC=C3C(=O)N2NS(=O)(=O)C4=CC=CC=C4
Compound: 2-(2-furanyl)-5-[(2-methoxyphenyl)methylidene]-6-thiazolo[3,2-b][1,2,4]triazolone
SMILES: COC1=CC=CC=C1C=C2C(=O)N3C(=NC(=N3)C4=CC=CO4)S2
Compound: N-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILES: CC1=CC=C(C=C1)NC(=O)C2=CC3=C(S2)CCCC3