MonarchInit/C3PO huggingface dataset:
Compound: N-[(1S,3R,4aR,9aS)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide
SMILES: C1CC(C1)C(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@H]4CO)CC(=O)NCC5CC5
Compound: 1-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea
SMILES: CN1CCN(CC1)C(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=C(C=C5)C(F)(F)F
Compound: 2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide
SMILES: COCCNC(=O)C[C@H]1C[C@H]2[C@@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NS(=O)(=O)C
Compound: 2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide
SMILES: C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=C(C=C5)OC
Compound: 2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenoxyphenyl)methyl]acetamide
SMILES: CS(=O)(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@@H]3CO)CC(=O)NCC4=CC=C(C=C4)OC5=CC=CC=C5
Compound: N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide
SMILES: C1CC(C1)C(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@H]4CO)CC(=O)NCC5=CC=NC=C5
Compound: 2-[(1S,3R,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide
SMILES: CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@H]3CO)CC(=O)NCC4=CC=NC=C4
Compound: N-[(1S,3R,4aS,9aR)-3-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide
SMILES: C1COCCC1C(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@H]4CO)CC(=O)NCC5=CC=C(C=C5)Cl
Compound: 2-[(1S,3S,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide
SMILES: C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)CN(C)C
Compound: 2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide
SMILES: C1[C@H](O[C@@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F)CO)CC(=O)NCC5=CC=CC=N5
Compound: N-[(1S,3S,4aS,9aR)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
SMILES: C1CC1CNC(=O)C[C@@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CC6=C(C=C5)OCO6
Compound: 2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide
SMILES: C1[C@H](O[C@@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F)CO)CC(=O)NCC5=CC=CC=N5
Compound: N-[(1R,3S,4aR,9aS)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
SMILES: C1CC1CNC(=O)C[C@@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CC6=C(C=C5)OCO6
Compound: 2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
SMILES: COC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@H](O[C@H]4CO)CC(=O)NCC5CC5
Compound: 2-[(1R,3R,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1R)-1-phenylethyl]acetamide
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)CN(C)C
Compound: 2-[(1S,3R,4aR,9aS)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
SMILES: CCCNC(=O)C[C@H]1C[C@H]2[C@@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4=CC=C(C=C4)F
Compound: N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(2-methoxyethylamino)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide
SMILES: COCCNC(=O)C[C@H]1C[C@@H]2[C@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)C4=CN=CC=C4
Compound: 2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide
SMILES: C1[C@H](O[C@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)CC4=CC=NC=C4)CO)CC(=O)NCC5=CN=CC=C5
Compound: 2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo(3-pyridinyl)methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
SMILES: COC(=O)C[C@@H]1C[C@H]2[C@@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)C4=CN=CC=C4
Compound: 2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide
SMILES: C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=C(C=C5)OC
Compound: N-[(1R,3S,4aS,9aR)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide
SMILES: C1CC1CNC(=O)C[C@@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CN=CC=C5
Compound: 2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide
SMILES: COCCNC(=O)C[C@@H]1C[C@H]2[C@@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4=CC=C(C=C4)OC
Compound: N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[(4-phenylphenyl)methylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide
SMILES: C1CC(C1)C(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCC5=CC=C(C=C5)C6=CC=CC=C6
Compound: 2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide
SMILES: COCCNC(=O)C[C@@H]1C[C@@H]2[C@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4=CC=C(C=C4)OC
Compound: 2-[(1S,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
SMILES: CN(C)C1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@H]3CO)CC(=O)OC
Compound: 1-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea
SMILES: CN1CCN(CC1)C(=O)C[C@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=C(C=C5)C(F)(F)F
Compound: N-[(1R,3R,4aS,9aR)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide
SMILES: C1[C@@H](O[C@@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CN=CC=C4)CO)CC(=O)NCC5=CC(=CC=C5)F
Compound: 2-[(1R,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
SMILES: CCCNC(=O)C[C@H]1C[C@@H]2[C@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)F
Compound: N-[(1R,3S,4aR,9aS)-3-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide
SMILES: C1COCCC1C(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@H](O[C@@H]4CO)CC(=O)NCC5=CC=C(C=C5)Cl
Compound: 2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide
SMILES: COCCNC(=O)C[C@@H]1C[C@H]2[C@@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NS(=O)(=O)C
Compound: 2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILES: COC1=CC=CC=C1CNC(=O)C[C@@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C
Compound: N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
SMILES: C1CC1CC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@H](O[C@H]4CO)CC(=O)NCCC5=CC=CC=C5
Compound: 2-[(1S,3R,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide
SMILES: CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@H]3CO)CC(=O)NCC4=CC=NC=C4
Compound: N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
SMILES: C1CC1CC(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCCC5=CC=CC=C5
Compound: N-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
SMILES: C1CC1CC(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@H](O[C@@H]4CO)CC(=O)NCCC5=CC=CC=C5
Compound: 2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo(3-pyridinyl)methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
SMILES: COC(=O)C[C@@H]1C[C@H]2[C@@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)C4=CN=CC=C4
Compound: 2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide
SMILES: C1[C@H](O[C@@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)CC4=CC=NC=C4)CO)CC(=O)NCC5=CN=CC=C5
Compound: N-[(1R,3S,4aR,9aS)-3-[2-(dimethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide
SMILES: CN(C)C(=O)C[C@@H]1C[C@H]2[C@@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)C4CCOCC4
Compound: 2-[(1S,3S,4aS,9aR)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
SMILES: CCCNC(=O)C[C@@H]1C[C@@H]2[C@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4=CC=C(C=C4)F
Compound: 2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide
SMILES: C1[C@H](O[C@@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F)CO)CC(=O)NCCC5=CC=CC=C5
Compound: 2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
SMILES: COC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCC5=CC6=C(C=C5)OCO6
Compound: 2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
SMILES: C1[C@H](O[C@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F)CO)CC(=O)NCC5=CC6=C(C=C5)OCO6
Compound: N-[(1R,3S,4aS,9aR)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide
SMILES: C1CC(C1)C(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@H](O[C@@H]4CO)CC(=O)NCC5CC5
Compound: 2-[(1S,3S,4aR,9aS)-6-[(2-cyclopropyl-1-oxoethyl)amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
SMILES: C1CC1CC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@H](O[C@H]4CO)CC(=O)O
Compound: 2-[(1R,3R,4aS,9aR)-6-[(2-cyclopropyl-1-oxoethyl)amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
SMILES: COC(=O)C[C@H]1C[C@@H]2[C@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)CC4CC4
Compound: N-[(1S,3S,4aS,9aR)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
SMILES: C1[C@H](O[C@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CC5=C(C=C4)OCO5)CO)CC(=O)NCC6=CC(=CC=C6)F
Compound: 2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILES: COCC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4=CC=C(C=C4)OC
Compound: N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[(4-phenylphenyl)methylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide
SMILES: C1CC(C1)C(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@H]4CO)CC(=O)NCC5=CC=C(C=C5)C6=CC=CC=C6
Compound: 2-[(1S,3R,4aR,9aS)-6-[(2-cyclopropyl-1-oxoethyl)amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
SMILES: COC(=O)C[C@H]1C[C@H]2[C@@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)CC4CC4
Compound: 2-[(1R,3S,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide
SMILES: CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@@H]3CO)CC(=O)NCC4=CC=NC=C4
Compound: 2-[(1R,3S,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide
SMILES: C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)CN(C)C
Compound: 2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILES: COC1=CC=CC=C1CNC(=O)C[C@@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C
Compound: N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide
SMILES: C1COCCN1C(=O)C[C@@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CN=CC=C5
Compound: 2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILES: COC1=CC=CC=C1CNC(=O)C[C@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C
Compound: N-[(1R,3R,4aR,9aS)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide
SMILES: C1CC(C1)C(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCC5CC5
Compound: 2-[(1R,3S,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1R)-1-phenylethyl]acetamide
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)CN(C)C
Compound: 2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILES: COC1=CC=CC=C1CNC(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C
Compound: 2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
SMILES: C1CC1CNC(=O)C[C@@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)CC5=CC=NC=C5
Compound: 1-[(1S,3S,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-(4-methoxyphenyl)urea
SMILES: COC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@H](O[C@H]4CO)CC(=O)N5CCC6=CC=CC=C6C5
Compound: N-[(1S,3S,4aR,9aS)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide
SMILES: C1CC(C1)C(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@H](O[C@H]4CO)CC(=O)NCC5CC5
Compound: N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide
SMILES: C1CC(C1)C(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@H](O[C@H]4CO)CC(=O)NCC5=CC=NC=C5
Compound: 2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
SMILES: C1[C@H](O[C@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F)CO)CC(=O)NCC5=CC6=C(C=C5)OCO6
Compound: 2-[(1S,3R,4aS,9aR)-6-[[(cyclohexylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
SMILES: C1CCC(CC1)NC(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@H]4CO)CC(=O)O
Compound: 2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILES: COC1=CC=CC=C1CNC(=O)C[C@@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C
Compound: 2-[(1S,3S,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
SMILES: C1[C@H](O[C@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=CC=C4)CO)CC(=O)O
Compound: 2-[(1R,3S,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
SMILES: C1[C@H](O[C@@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=CC=C4)CO)CC(=O)O
Compound: N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide
SMILES: C1COCCN1C(=O)C[C@@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CN=CC=C5
Compound: 2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
SMILES: COC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCC5=CC6=C(C=C5)OCO6
Compound: 2-[(1S,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
SMILES: CCCNC(=O)C[C@@H]1C[C@@H]2[C@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)F
Compound: 2-[(1R,3R,4aR,9aS)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
SMILES: C1CCC(C1)NC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCC5CC5
Compound: diaveridine
SMILES: COc1ccc(Cc2cnc(N)nc2N)cc1OC
Compound: 2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
SMILES: COC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@H](O[C@@H]4CO)CC(=O)NCC5=CC6=C(C=C5)OCO6
Compound: 2-[(1R,3S,4aR,9aS)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
SMILES: C1CCC(C1)NC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@H](O[C@@H]4CO)CC(=O)NCC5CC5
Compound: 2-[(1R,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
SMILES: CN(C)C1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@@H]3CO)CC(=O)OC
Compound: 2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
SMILES: COC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCC5CC5
Compound: 2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide
SMILES: C1[C@H](O[C@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)CC4=CC=NC=C4)CO)CC(=O)NCC5=C(C=CC(=C5)F)F
Compound: N-[(1S,3R,4aS,9aR)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide
SMILES: C1CC(C1)C(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@H]4CO)CC(=O)NCC5CC5
Compound: 2-[(1R,3R,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
SMILES: C1[C@@H](O[C@@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=CC=C4)CO)CC(=O)O
Compound: N-[(1S,3R,4aR,9aS)-3-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide
SMILES: C1COCCC1C(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@H]4CO)CC(=O)NCC5=CC=C(C=C5)Cl
Compound: 2-[(1R,3R,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILES: COC1=CC=CC=C1CNC(=O)C[C@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=CC=C5F
Compound: 2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide
SMILES: C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=C(C=C5)OC
Compound: 2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenoxyphenyl)methyl]acetamide
SMILES: CS(=O)(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4=CC=C(C=C4)OC5=CC=CC=C5
Compound: 2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
SMILES: C1CC1CNC(=O)C[C@@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)CC5=CC=NC=C5
Compound: N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(2-methoxyethylamino)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide
SMILES: COCCNC(=O)C[C@@H]1C[C@H]2[C@@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)C4=CN=CC=C4
Compound: 2-[(1S,3S,4aS,9aR)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenoxyphenyl)methyl]acetamide
SMILES: C1[C@H](O[C@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=CC=C4F)CO)CC(=O)NCC5=CC=C(C=C5)OC6=CC=CC=C6
Compound: 2-[(1R,3S,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenoxyphenyl)methyl]acetamide
SMILES: C1[C@H](O[C@@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=CC=C4F)CO)CC(=O)NCC5=CC=C(C=C5)OC6=CC=CC=C6
Compound: 2-[(1S,3S,4aS,9aR)-6-[(2-cyclopropyl-1-oxoethyl)amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
SMILES: C1CC1CC(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@H](O[C@H]4CO)CC(=O)O
Compound: 2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILES: COC1=CC=CC=C1CNC(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C
Compound: N-[(1S,3S,4aS,9aR)-3-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide
SMILES: C1COCCC1C(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@H](O[C@H]4CO)CC(=O)NCC5=CC=C(C=C5)Cl
Compound: 2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILES: COCC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4=CC=C(C=C4)OC
Compound: N-[2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[[2-(4-morpholinyl)-1-oxoethyl]amino]-2-oxanyl]ethyl]cyclobutanecarboxamide
SMILES: C1CC(C1)C(=O)NCC[C@@H]2CC[C@@H]([C@H](O2)CO)NC(=O)CN3CCOCC3
Compound: N-[2-[(2R,5S,6R)-5-[[(2-fluoroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclohexanecarboxamide
SMILES: C1CCC(CC1)C(=O)NCC[C@H]2CC[C@@H]([C@@H](O2)CO)NC(=O)NC3=CC=CC=C3F
Compound: N-[2-[(2R,5R,6R)-5-[[(2-fluoroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclohexanecarboxamide
SMILES: C1CCC(CC1)C(=O)NCC[C@H]2CC[C@H]([C@@H](O2)CO)NC(=O)NC3=CC=CC=C3F
Compound: N-[2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[[2-(4-morpholinyl)-1-oxoethyl]amino]-2-oxanyl]ethyl]cyclobutanecarboxamide
SMILES: C1CC(C1)C(=O)NCC[C@H]2CC[C@@H]([C@@H](O2)CO)NC(=O)CN3CCOCC3
Compound: LSM-34582
SMILES: C1CCN(CC1)C2=C3C4=C(C=C2)C(=O)NN=C4C5=CC=CC=C5C3=O
Compound: 3-bromo-4-methoxy-N-[(propan-2-ylamino)-sulfanylidenemethyl]benzamide
SMILES: CC(C)NC(=S)NC(=O)C1=CC(=C(C=C1)OC)Br
Compound: 2-[5-[(5-amino-1-tetrazolyl)iminomethyl]-2-furanyl]-5-bromobenzoic acid methyl ester
SMILES: COC(=O)C1=C(C=CC(=C1)Br)C2=CC=C(O2)C=NN3C(=NN=N3)N
Compound: N2-[2-(4-methylphenyl)-5-phenyl-3-pyrazolyl]benzene-1,2-diamine
SMILES: CC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3)NC4=CC=CC=C4N
Compound: 1-(2-furanylmethyl)-4-[oxo(thiophen-2-yl)methyl]-5-phenylpyrrolidine-2,3-dione
SMILES: C1=CC=C(C=C1)C2C(C(=O)C(=O)N2CC3=CC=CO3)C(=O)C4=CC=CS4
Compound: N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-4-isoxazolecarboxamide
SMILES: CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=NN=C(S3)COC4=CC=C(C=C4)Cl
Compound: 1-(4-bromophenyl)-5-[(1,2,5-trimethyl-3-pyrrolyl)methylidene]-1,3-diazinane-2,4,6-trione
SMILES: CC1=CC(=C(N1C)C)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Br
Compound: 2-[5-(4-butoxyphenyl)-2-tetrazolyl]-N-(2-furanylmethyl)acetamide
SMILES: CCCCOC1=CC=C(C=C1)C2=NN(N=N2)CC(=O)NCC3=CC=CO3
Compound: 4-[(3,5-dimethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-1,2,3,10-tetrahydroacridine-9-carboxylic acid
SMILES: COC1=CC(=CC2=C3C(=C(C4=CC=CC=C4N3)C(=O)O)CCC2)C=C(C1=O)OC
Compound: 5-bromo-N-[3-(3,5-dimethyl-1-pyridin-1-iumyl)-2-quinoxalinyl]-2-thiophenesulfonamide
SMILES: CC1=CC(=C[N+](=C1)C2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=C(S4)Br)C
Compound: 5-(4-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-furancarboxamide
SMILES: CCC1=NN=C(S1)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Cl
Compound: 6-methyl-6-pyridin-4-yl-12H-benzimidazolo[1,2-c]quinazoline
SMILES: CC1(N=C2C=CC=CC2=C3N1C4=CC=CC=C4N3)C5=CC=NC=C5
Compound: N-(5-acetyl-2-phenyl-4-sulfanylidene-1H-pyrimidin-6-yl)benzamide
SMILES: CC(=O)C1=C(NC(=NC1=S)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3
Compound: 3-(3-bromo-4-methoxyphenyl)-N,N-di(propan-2-yl)-2-propenamide
SMILES: CC(C)N(C(C)C)C(=O)C=CC1=CC(=C(C=C1)OC)Br
Compound: N-[3-(diethylamino)propyl]-4-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazo]-4-oxobutanamide
SMILES: CCN(CC)CCCNC(=O)CCC(=O)NNC1=NC2=CC=CC=C2C3=NC(=NN31)C
Compound: 2-oxo-N-phenylpropanehydrazonic acid (4-nitrophenyl) ester
SMILES: CC(=O)C(=NNC1=CC=CC=C1)OC2=CC=C(C=C2)[N+](=O)[O-]
Compound: 5-methyl-1-phenyl-4-pyrazolecarboxylic acid (4-methoxyphenyl) ester
SMILES: CC1=C(C=NN1C2=CC=CC=C2)C(=O)OC3=CC=C(C=C3)OC
Compound: 1-ethyl-N-[3-(4-morpholinyl)propyl]-2-oxo-6-benzo[cd]indolesulfonamide
SMILES: CCN1C2=C3C(=C(C=C2)S(=O)(=O)NCCCN4CCOCC4)C=CC=C3C1=O
Compound: 6-[2-(4-butan-2-yloxy-3-ethoxyphenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
SMILES: CCC(C)OC1=C(C=C(C=C1)C=CC2=C(C(=O)NC(=O)N2)[N+](=O)[O-])OCC
Compound: 1-[(3,4-dimethoxyphenyl)methylideneamino]-3-thiophen-2-ylsulfonyl-2-pyrrolo[3,2-b]quinoxalinamine
SMILES: COC1=C(C=C(C=C1)C=NN2C(=C(C3=NC4=CC=CC=C4N=C32)S(=O)(=O)C5=CC=CS5)N)OC
Compound: N4-(4-fluorophenyl)-N5-(2-nitrophenyl)-1H-imidazole-4,5-dicarboxamide
SMILES: C1=CC=C(C(=C1)NC(=O)C2=C(N=CN2)C(=O)NC3=CC=C(C=C3)F)[N+](=O)[O-]
Compound: (4-methoxyphenyl)-(3-methyl-2-propyl-4-imidazolyl)methanone
SMILES: CCCC1=NC=C(N1C)C(=O)C2=CC=C(C=C2)OC
Compound: N-(3,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxyiminomethyl]-3-(dimethylamino)-2-propenamide
SMILES: CN(C)C=C(C=NOCC1=C(C=C(C=C1)Cl)Cl)C(=O)NC2=CC(=C(C=C2)Cl)Cl
Compound: 2-(1,3-benzodioxol-5-yl)-5-[[2-(4-methoxyphenyl)-4,5-dihydrothiazol-5-yl]methylthio]-1,3,4-oxadiazole
SMILES: COC1=CC=C(C=C1)C2=NCC(S2)CSC3=NN=C(O3)C4=CC5=C(C=C4)OCO5
Compound: 5-nitro-2-thiophenecarboxylic acid [2-oxo-2-[[oxo-[(phenylmethyl)amino]methyl]amino]ethyl] ester
SMILES: C1=CC=C(C=C1)CNC(=O)NC(=O)COC(=O)C2=CC=C(S2)[N+](=O)[O-]
Compound: N-methyl-N-[(3-oxo-1-benzothiophen-2-ylidene)methyl]propanamide
SMILES: CCC(=O)N(C)C=C1C(=O)C2=CC=CC=C2S1
Compound: 1-(2-furanylmethyl)-3-(2-methylphenyl)-1-(3-pyridinylmethyl)thiourea
SMILES: CC1=CC=CC=C1NC(=S)N(CC2=CN=CC=C2)CC3=CC=CO3
Compound: [2-[(2-chloro-6-fluorophenyl)methylthio]-4,5-dihydroimidazol-1-yl]-(2-furanyl)methanone
SMILES: C1CN(C(=N1)SCC2=C(C=CC=C2Cl)F)C(=O)C3=CC=CO3
Compound: 2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)thio]-N-(4,5-diphenyl-2-thiazolyl)acetamide
SMILES: CC(=O)N1CC(=O)N=C1SCC(=O)NC2=NC(=C(S2)C3=CC=CC=C3)C4=CC=CC=C4
Compound: 2-thiophen-2-yl-2,3-dihydro-1H-quinazolin-4-one
SMILES: C1=CC=C2C(=C1)C(=O)NC(N2)C3=CC=CS3
Compound: 4-[4-[cyclohexyloxy(oxo)methyl]anilino]-4-oxobutanoic acid
SMILES: C1CCC(CC1)OC(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)O
Compound: 4,6-dimethyl-N-(1-phenylethylideneamino)-2-pyrimidinecarboxamide
SMILES: CC1=CC(=NC(=N1)C(=O)NN=C(C)C2=CC=CC=C2)C
Compound: N-[2-(4-morpholinyl)ethyl]-4-(phenylmethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide
SMILES: C1COCCN1CCNC(=O)C2=CC3=C(C=C2)SCCN3CC4=CC=CC=C4
Compound: 2-[[3-(4-methoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]thio]acetic acid ethyl ester
SMILES: CCOC(=O)CSC1=NC2=C(C(=O)N1C3=CC=C(C=C3)OC)SCC2
Compound: LSM-34616
SMILES: CC1=CC(=C(O1)C)C2=NC3=C4C5=C(CCC5)SC4=NC(=O)N3N2
Compound: 2-chloro-4-[5-[[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-furanyl]benzoic acid
SMILES: CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC(=C(C=C4)C(=O)O)Cl)C(=O)NC2=O
Compound: N-cyclopentyl-3,4-dimethylbenzenesulfonamide
SMILES: CC1=C(C=C(C=C1)S(=O)(=O)NC2CCCC2)C
Compound: [4-[6,8-dimethyl-2-(trifluoromethyl)-4-quinazolinyl]-1-piperazinyl]-(2-furanyl)methanone
SMILES: CC1=CC(=C2C(=C1)C(=NC(=N2)C(F)(F)F)N3CCN(CC3)C(=O)C4=CC=CO4)C
Compound: 6-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILES: C1C(OC2=CC=CC=C2O1)C3=NN4C(=NN=C4S3)COC5=CC=CC=C5
Compound: 2-oxo-4-(4-propan-2-yl-1-pyridin-1-iumyl)-3H-thiazole-5-carboxaldehyde
SMILES: CC(C)C1=CC=[N+](C=C1)C2=C(SC(=O)N2)C=O
Compound: 4-[(2S)-2-[2-(4-ethoxyphenyl)ethylamino]-3-[[(2S)-1-(methylamino)hexan-2-yl]amino]propyl]phenol
SMILES: CCCC[C@@H](CNC)NC[C@H](CC1=CC=C(C=C1)O)NCCC2=CC=C(C=C2)OCC
Compound: LSM-34623
SMILES: C1CC(CN(C1)C2=C3CCCC3=NC4=CC(=NN42)C5=CC(=CC=C5)Cl)O
Compound: 1-[2-furanyl(oxo)methyl]-N-[4-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-4-piperidinecarboxamide
SMILES: CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)C(=O)C4=CC=CO4
Compound: 5-[(1,3-dimethyl-2,4-dioxo-6-quinazolinyl)sulfonylamino]benzene-1,3-dicarboxylic acid
SMILES: CN1C2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O)C(=O)N(C1=O)C
Compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophenesulfonamide
SMILES: C1COC2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CS3
Compound: N-(5-chloro-2-pyridinyl)-4H-thieno[3,2-c][1]benzopyran-2-carboxamide
SMILES: C1C2=C(C3=CC=CC=C3O1)SC(=C2)C(=O)NC4=NC=C(C=C4)Cl
Compound: N-[2-(2-ethyl-5-tetrazolyl)phenyl]-3-(1-tetrazolyl)benzamide
SMILES: CCN1N=C(N=N1)C2=CC=CC=C2NC(=O)C3=CC(=CC=C3)N4C=NN=N4
Compound: 2-[[[2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]hydrazinylidene]methyl]benzoic acid
SMILES: C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)NN=CC4=CC=CC=C4C(=O)O
Compound: N-butyl-1H-benzimidazol-2-amine
SMILES: CCCCNC1=NC2=CC=CC=C2N1
Compound: 6-[[1-[(4-fluorophenyl)methyl]-2-pyrrolyl]methylidene]-5-imino-7-thiazolo[3,2-a]pyrimidinone
SMILES: C1=CN(C(=C1)C=C2C(=N)N3C=CSC3=NC2=O)CC4=CC=C(C=C4)F
Compound: 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-pyridinyl)propanamide
SMILES: COC1=C(C=C(C=C1)C2=NOC(=N2)CCC(=O)NC3=CN=CC=C3)OC
Compound: 2-methyl-1H-pyrimido[1,2-a]benzimidazol-4-one
SMILES: CC1=CC(=O)N2C3=CC=CC=C3N=C2N1
Compound: N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILES: C1CCC(=NCC1)NC2=NC3=C(S2)CCCC3
Compound: 3-[[(1-tert-butyl-5-tetrazolyl)methyl-(thiophen-2-ylmethyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one
SMILES: CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=CS3)CC4=NN=NN4C(C)(C)C
Compound: 3-(4-ethylphenyl)imino-1-isoindolamine
SMILES: CCC1=CC=C(C=C1)N=C2C3=CC=CC=C3C(=N2)N
Compound: 4-[(3-fluoro-4-methylanilino)methylidene]-3-hydroxy-1-cyclohexa-2,5-dienone
SMILES: CC1=C(C=C(C=C1)NC=C2C=CC(=O)C=C2O)F
Compound: N-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]carbamic acid phenyl ester
SMILES: C1CN(CCN1C2=CC=C(C=C2)NC(=O)OC3=CC=CC=C3)C4=CC=C(C=C4)O
Compound: 2-thiophenecarboxylic acid [2-oxo-2-(2-oxolanylmethylamino)ethyl] ester
SMILES: C1CC(OC1)CNC(=O)COC(=O)C2=CC=CS2
Compound: N-(2,4-difluorophenyl)-2-[2-methylimino-4-oxo-3-[(4-prop-2-enoxyphenyl)methylideneamino]-5-thiazolidinyl]acetamide
SMILES: CN=C1N(C(=O)C(S1)CC(=O)NC2=C(C=C(C=C2)F)F)N=CC3=CC=C(C=C3)OCC=C
Compound: 5-[(3-nitro-2-pyridinyl)thio]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine
SMILES: C=CCNC1=NN=C(S1)SC2=C(C=CC=N2)[N+](=O)[O-]
Compound: 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(3-methoxypropyl)acetamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCCOC)C2CCCCC2
Compound: N-tert-butyl-2-(N-[2-[5-(4-fluorophenyl)-2-tetrazolyl]-1-oxoethyl]-3-hydroxyanilino)-2-(1H-indol-3-yl)acetamide
SMILES: CC(C)(C)NC(=O)C(C1=CNC2=CC=CC=C21)N(C3=CC(=CC=C3)O)C(=O)CN4N=C(N=N4)C5=CC=C(C=C5)F
Compound: 3-(5-cinnamylidene-2,4-dioxo-3-thiazolidinyl)-N-(4-hydroxyphenyl)propanamide
SMILES: C1=CC=C(C=C1)C=CC=C2C(=O)N(C(=O)S2)CCC(=O)NC3=CC=C(C=C3)O
Compound: 3-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)propanamide
SMILES: CC1C(=O)N(C2=C(O1)C=CC(=C2)C)CCC(=O)NCC3=CC=CS3
Compound: 7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-(1-piperidinylmethyl)purine-2,6-dione
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCCCC3)CC4=C(C=CC=C4Cl)F
Compound: 2-anilino-5-[(1-phenyl-2-pyrrolyl)methylidene]-4-thiazolone
SMILES: C1=CC=C(C=C1)NC2=NC(=O)C(=CC3=CC=CN3C4=CC=CC=C4)S2
Compound: 4-sulfanylidene-1,6,7,8,9,10-hexahydropyrimido[3,4]pyrrolo[3,5-a]azepine-11-carbonitrile
SMILES: C1CCC2=C(C3=C(N2CC1)C(=S)N=CN3)C#N
Compound: N'-(4-quinazolinyl)acetohydrazide
SMILES: CC(=O)NNC1=NC=NC2=CC=CC=C21
Compound: LSM-34650
SMILES: CC1=CC=C(C=C1)C=C2C(=O)NC3=C(S2)C=CC(=C3)C(=O)N4CCN(CC4)C5=CC=CC=N5
Compound: N-[(2,5-dimethyl-1-phenyl-3-pyrrolyl)methylideneamino]-3-fluorobenzamide
SMILES: CC1=CC(=C(N1C2=CC=CC=C2)C)C=NNC(=O)C3=CC(=CC=C3)F
Compound: N-[2-(2-imidazo[1,2-a]pyridinyl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide
SMILES: C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NCCC3=CN4C=CC=CC4=N3
Compound: 1-[4-[4-[(4-methylphenyl)methylamino]phenyl]-1-piperazinyl]ethanone
SMILES: CC1=CC=C(C=C1)CNC2=CC=C(C=C2)N3CCN(CC3)C(=O)C
Compound: 6,7-dimethoxy-3-phenyl-1H-quinazoline-2,4-dione
SMILES: COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)C3=CC=CC=C3)OC
Compound: 3,6-dimethoxy-9H-carbazole
SMILES: COC1=CC2=C(C=C1)NC3=C2C=C(C=C3)OC
Compound: N-[2-(3-methylphenoxy)ethyl]-5-(4-morpholinyl)-2-nitroaniline
SMILES: CC1=CC(=CC=C1)OCCNC2=C(C=CC(=C2)N3CCOCC3)[N+](=O)[O-]
Compound: 3-phenylpropanoic acid [3-(4-cyanophenyl)-7-methyl-6,8-dioxo-2-[2-(2-pyridinyl)ethyl]-7-isoquinolinyl] ester
SMILES: CC1(C(=O)C=C2C=C(N(C=C2C1=O)CCC3=CC=CC=N3)C4=CC=C(C=C4)C#N)OC(=O)CCC5=CC=CC=C5
Compound: 5-(4-propylcyclohexyl)-3-(3-pyridinyl)-1,2,4-oxadiazole
SMILES: CCCC1CCC(CC1)C2=NC(=NO2)C3=CN=CC=C3
Compound: N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-7-nitro-1H-benzimidazole-4-carboxamide
SMILES: C1CN2CCC1C(C2)NC(=O)C3=CC(=C(C4=C3N=CN4)[N+](=O)[O-])Cl
Compound: 3-phenyl-3-(1-tetrazolyl)propanoic acid
SMILES: C1=CC=C(C=C1)C(CC(=O)O)N2C=NN=N2
Compound: 4-[5-chloro-6-methyl-2-(2-pyridinyl)-4-pyrimidinyl]morpholine
SMILES: CC1=C(C(=NC(=N1)C2=CC=CC=N2)N3CCOCC3)Cl
Compound: 2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[9-methyl-2-(2-methylphenoxy)-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-propenamide
SMILES: CC1=CC=CC=C1OC2=C(C(=O)N3C=CC=C(C3=N2)C)C=C(C#N)C(=O)NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C
Compound: N-cyclopentyl-4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinamine
SMILES: COC1=C(C=C(C=C1)C2=CC(=NC(=N2)NC3CCCC3)C(F)(F)F)OC
Compound: 2-[(3-pyridinylamino)methylidene]propanedinitrile
SMILES: C1=CC(=CN=C1)NC=C(C#N)C#N
Compound: 1-cyclohexyl-5-(2-phenoxyethylthio)tetrazole
SMILES: C1CCC(CC1)N2C(=NN=N2)SCCOC3=CC=CC=C3
Compound: 3-[[[(1-oxo-2,2-diphenylethyl)amino]-sulfanylidenemethyl]amino]benzoic acid
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(=S)NC3=CC=CC(=C3)C(=O)O
Compound: 1-(2-phenylethyl)-4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-2,6-dione
SMILES: C1C(=O)N(C(=O)CN1C2=NC3=CC=CC=C3N4C2=NN=C4)CCC5=CC=CC=C5
Compound: (3R)-7-phenyl-2-(phenylmethyl)-3-[4-(trifluoromethyl)phenyl]-3a,6,7,7a-tetrahydro-3H-isoindol-1-one
SMILES: C1C=CC2[C@@H](N(C(=O)C2C1C3=CC=CC=C3)CC4=CC=CC=C4)C5=CC=C(C=C5)C(F)(F)F
Compound: 1-[(2,4-dichlorophenyl)methyl]-4-(methylthio)-2-oxo-6-phenyl-3-pyridinecarbonitrile
SMILES: CSC1=C(C(=O)N(C(=C1)C2=CC=CC=C2)CC3=C(C=C(C=C3)Cl)Cl)C#N
Compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-propan-2-yloxybenzamide
SMILES: CC(C)OC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)OCCO3)OC
Compound: 2-amino-5-[[3-(4-ethoxy-3-methylphenyl)-1-phenyl-4-pyrazolyl]methylidene]-4-thiazolone
SMILES: CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N)C4=CC=CC=C4)C
Compound: 1-(4-fluorophenyl)-3-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)-3-pyrazolyl]urea
SMILES: CN1C(=C(C(=N1)C(F)(F)F)C2=CC=C(C=C2)F)NC(=O)NC3=CC=C(C=C3)F
Compound: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-(2,5-dioxo-1-pyrrolidinyl)benzamide
SMILES: CC1=C2C(=C(C=C1)C)SC(=N2)NC(=O)C3=CC=C(C=C3)N4C(=O)CCC4=O
Compound: 3-[[[1,3-dioxo-2-(2-oxolanylmethyl)-5-isoindolyl]-oxomethyl]amino]benzoic acid
SMILES: C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=CC(=C4)C(=O)O
Compound: 2-(6-imidazo[2,1-b]thiazolyl)acetic acid 1,3-benzothiazol-2-ylmethyl ester
SMILES: C1=CC=C2C(=C1)N=C(S2)COC(=O)CC3=CN4C=CSC4=N3
Compound: 6-amino-5-(methylamino)-1-(phenylmethyl)pyrimidine-2,4-dione
SMILES: CNC1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N
Compound: N-(1,3-benzothiazol-2-yl)-2-oxolanecarboxamide
SMILES: C1CC(OC1)C(=O)NC2=NC3=CC=CC=C3S2
Compound: N-[4-(dibutylsulfamoyl)phenyl]-2-thiophen-2-ylacetamide
SMILES: CCCCN(CCCC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CC2=CC=CS2
Compound: LSM-34679
SMILES: CC1=CC(=NO1)NC(=O)CSC2=NN=C3N2C=NC4=C3C(=C(S4)C)C
Compound: 5-(4-morpholinyl)-2-thiophen-2-yl-4-oxazolecarbonitrile
SMILES: C1COCCN1C2=C(N=C(O2)C3=CC=CS3)C#N
Compound: 4-hydroxy-1-(2-methylpropyl)-2-oxo-N-[4-oxo-2-(phenylmethyl)-3-quinazolinyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILES: CC(C)CN1C2=C(CCCC2)C(=C(C1=O)C(=O)NN3C(=NC4=CC=CC=C4C3=O)CC5=CC=CC=C5)O
Compound: 2-methoxy-5-propan-2-yl-N-(2-pyridinyl)benzenesulfonamide
SMILES: CC(C)C1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC=CC=N2
Compound: 3-(2-methoxyphenyl)-4-phenyl-1H-imidazole-2-thione
SMILES: COC1=CC=CC=C1N2C(=CNC2=S)C3=CC=CC=C3
Compound: 3,4,5-trimethoxy-N-[(8-methyl-2-imidazo[1,2-a]pyridinyl)methyl]benzamide
SMILES: CC1=CC=CN2C1=NC(=C2)CNC(=O)C3=CC(=C(C(=C3)OC)OC)OC
Compound: N-[2-(1-cyclohexenyl)ethyl]-2,5-dimethoxybenzenesulfonamide
SMILES: COC1=CC(=C(C=C1)OC)S(=O)(=O)NCCC2=CCCCC2
Compound: 1-phenyl-3-(6-quinolinylmethylideneamino)thiourea
SMILES: C1=CC=C(C=C1)NC(=S)NN=CC2=CC3=C(C=C2)N=CC=C3
Compound: 3-phenyl-N-[4-(2-pyridinyl)-1-piperazinyl]-2-propen-1-imine
SMILES: C1CN(CCN1C2=CC=CC=N2)N=CC=CC3=CC=CC=C3
Compound: 2,5-dimethyl-4-(4-methyl-1-piperidinyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid
SMILES: CC1CCN(CC1)C2=C3C(=C(SC3=NC(=N2)C)C(=O)O)C
Compound: 3-[(3,3-dimethyl-1-oxobutyl)amino]-1H-indole-2-carboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)CC(C)(C)C
Compound: N-(9,9-dimethyl-7-oxo-8,10-dihydronaphtho[1,2-b]benzofuran-5-yl)-4-methoxybenzenesulfonamide
SMILES: CC1(CC2=C(C(=O)C1)C3=C(O2)C4=CC=CC=C4C(=C3)NS(=O)(=O)C5=CC=C(C=C5)OC)C
Compound: (2S)-3-methyl-2-[[oxo-(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]amino]pentanoic acid
SMILES: CCC(C)[C@@H](C(=O)O)NC(=O)NC1CCCC2=CC=CC=C12
Compound: N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-quinolinecarboxamide
SMILES: CC1=C(C=C(C=C1)NC(=O)C2=NC3=CC=CC=C3C=C2)S(=O)(=O)N(C)C
Compound: 2-[2-(4-methylanilino)-4-thiazolyl]-2-(phenylhydrazinylidene)acetic acid ethyl ester
SMILES: CCOC(=O)C(=NNC1=CC=CC=C1)C2=CSC(=N2)NC3=CC=C(C=C3)C
Compound: 3,4-dimethyl-N-[sulfanylidene-[2-(trifluoromethyl)anilino]methyl]benzamide
SMILES: CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(F)(F)F)C
Compound: 3-[[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-N-(2-furanylmethyl)propanamide
SMILES: C1OC2=C(O1)C=C(C=C2)C3=CC(=NC(=N3)SCCC(=O)NCC4=CC=CO4)C(F)(F)F
Compound: 4-(dimethylamino)benzoic acid [2-(2-methoxyphenyl)-2-oxoethyl] ester
SMILES: CN(C)C1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=CC=C2OC
Compound: 3-(4-ethoxyphenyl)-N-[(1-methyl-4-piperidinylidene)amino]-1H-pyrazole-5-carboxamide
SMILES: CCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NN=C3CCN(CC3)C
Compound: 2-[3-[(4-methylphenyl)methyl]-7-oxo-6-triazolo[4,5-d]pyrimidinyl]-N-(2-oxolanylmethyl)acetamide
SMILES: CC1=CC=C(C=C1)CN2C3=C(C(=O)N(C=N3)CC(=O)NCC4CCCO4)N=N2
Compound: N-(5-methyl-3-isoxazolyl)-2-(2-naphthalenylthio)acetamide
SMILES: CC1=CC(=NO1)NC(=O)CSC2=CC3=CC=CC=C3C=C2
Compound: 1-phenyl-4-pyrazolol
SMILES: C1=CC=C(C=C1)N2C=C(C=N2)O
Compound: [3-(2-furanyl)-5-(phenylmethylthio)-1,2,4-triazol-1-yl]-thiophen-2-ylmethanone
SMILES: C1=CC=C(C=C1)CSC2=NC(=NN2C(=O)C3=CC=CS3)C4=CC=CO4
Compound: 4-amino-3-methyl-N-(phenylmethyl)-2-sulfanylidene-5-thiazolecarboxamide
SMILES: CN1C(=C(SC1=S)C(=O)NCC2=CC=CC=C2)N
Compound: 4-anilino-4-oxobutanoic acid (4-tert-butylcyclohexyl) ester
SMILES: CC(C)(C)C1CCC(CC1)OC(=O)CCC(=O)NC2=CC=CC=C2
Compound: 3-(1-benzotriazolylmethyl)-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILES: C1=CC=C(C=C1)C2=NN3C(=NN=C3S2)CN4C5=CC=CC=C5N=N4
Compound: 3-(4-ethoxyphenyl)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-(3-nitrophenyl)-1,1-dioxo-1,3-thiazolidin-4-one
SMILES: CCOC1=CC=C(C=C1)N2C(S(=O)(=O)C(=CC3=CC(=C(C=C3)OC)O)C2=O)C4=CC(=CC=C4)[N+](=O)[O-]
Compound: 2-chloro-N-(7-methyl-9-oxo-2-thioxanthenyl)benzamide
SMILES: CC1=CC2=C(C=C1)SC3=C(C2=O)C=C(C=C3)NC(=O)C4=CC=CC=C4Cl
Compound: 2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)thio]-N-propan-2-ylacetamide
SMILES: CC(C)NC(=O)CSC1=C(C(=CC(=N1)C2=CC=CS2)C3=CC=CC=C3)C#N
Compound: N-[(3,5-dimethoxyanilino)-sulfanylidenemethyl]-3-phenylpropanamide
SMILES: COC1=CC(=CC(=C1)NC(=S)NC(=O)CCC2=CC=CC=C2)OC
Compound: 2-[(3-bromo-2-imidazo[1,2-a]pyrimidinyl)methylthio]-6-methyl-1H-pyrimidin-4-one
SMILES: CC1=CC(=O)N=C(N1)SCC2=C(N3C=CC=NC3=N2)Br
Compound: 4-(2,5-dioxo-1-pyrrolidinyl)-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
SMILES: COC1=CC=C(C=C1)N2C(=C3CSCC3=N2)NC(=O)C4=CC=C(C=C4)N5C(=O)CCC5=O
Compound: LSM-34711
SMILES: C1=CC=C(C=C1)C2=C(C(=O)N(N2)C3=CC=CC=C3)[NH2+][O-]
Compound: 1-[(4-methylphenyl)methyl]-2,4-dioxo-N-(phenylmethyl)-3-prop-2-enyl-7-quinazolinecarboxamide
SMILES: CC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)NCC4=CC=CC=C4)C(=O)N(C2=O)CC=C
Compound: 1-[1-(4-methoxyphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]-4-piperidinecarboxamide
SMILES: COC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)N4CCC(CC4)C(=O)N
Compound: 4-[[3-(3-chloro-4-methylphenyl)-4-oxo-2-quinazolinyl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile
SMILES: CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C(C#N)C(=N)C)Cl
Compound: N-[4-[(N-methylanilino)-oxomethyl]phenyl]-2-furancarboxamide
SMILES: CN(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CO3
Compound: benzenesulfonic acid [4-[[[2-(4-chlorophenoxy)-1-oxoethyl]hydrazinylidene]methyl]-2-ethoxyphenyl] ester
SMILES: CCOC1=C(C=CC(=C1)C=NNC(=O)COC2=CC=C(C=C2)Cl)OS(=O)(=O)C3=CC=CC=C3
Compound: N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-N-cyclopropyl-4-thiadiazolecarboxamide
SMILES: CC(C)(C)NC(=O)C(C1=CC=NC=C1)N(C2CC2)C(=O)C3=CSN=N3
Compound: 5,7-dimethyl-3-phenyldiazenyl-1H-pyrazolo[1,5-a]pyrimidin-2-one
SMILES: CC1=CC(=NC2=C(C(=O)NN12)N=NC3=CC=CC=C3)C
Compound: 2-amino-3-[(2-fluorophenyl)hydrazinylidene]-5-methyl-7-pyrazolo[1,5-a]pyrimidinone
SMILES: CC1=CC(=O)N2C(=N1)C(=NNC3=CC=CC=C3F)C(=N2)N
Compound: 5-[(5-bromo-1H-indol-3-yl)methylidene]-3-[2-oxo-2-(1-pyrrolidinyl)ethyl]thiazolidine-2,4-dione
SMILES: C1CCN(C1)C(=O)CN2C(=O)C(=CC3=CNC4=C3C=C(C=C4)Br)SC2=O
Compound: 2-(phenylmethyl)-5-[4-(phenylmethyl)-1-piperidinyl]-4-oxazolecarbonitrile
SMILES: C1CN(CCC1CC2=CC=CC=C2)C3=C(N=C(O3)CC4=CC=CC=C4)C#N
Compound: 1-(1,3-benzodioxol-5-yl)-3-(1-piperidinyl)-1-propanone
SMILES: C1CCN(CC1)CCC(=O)C2=CC3=C(C=C2)OCO3
Compound: N-(3,5-dimethylphenyl)-2-(2-nitroethyl)benzamide
SMILES: CC1=CC(=CC(=C1)NC(=O)C2=CC=CC=C2CC[N+](=O)[O-])C
Compound: 2-benzoylimino-1-(2-furanylmethyl)-10-methyl-5-oxo-3-dipyrido[3,4-c:1',2'-f]pyrimidinecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=CC2=C(N=C3C(=CC=CN3C2=O)C)N(C1=NC(=O)C4=CC=CC=C4)CC5=CC=CO5
Compound: 2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]thio]-1-(4-phenyl-1-piperazinyl)ethanone
SMILES: CC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4
Compound: [4-(benzenesulfonyl)-1-piperazinyl]-(1-piperidinyl)methanone
SMILES: C1CCN(CC1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
Compound: 3-(2,5-dimethyl-1-pyrrolyl)-4-methylaniline
SMILES: CC1=C(C=C(C=C1)N)N2C(=CC=C2C)C
Compound: 6-(3,4,5-triethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILES: CCOC1=CC(=CC(=C1OCC)OCC)C2=NN3C=NN=C3S2
Compound: N-[2-methoxy-4-[[2-[(3-methyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]amino]phenyl]-2-furancarboxamide
SMILES: CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC=CO4)OC
Compound: 3-[9-methyl-2-(4-methyl-1-piperazinyl)-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-(4-methylphenyl)sulfonyl-2-propenenitrile
SMILES: CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=C(N=C3C(=CC=CN3C2=O)C)N4CCN(CC4)C)C#N
Compound: N-[(3-bromo-4,5-diethoxyphenyl)methyl]-4-(4-morpholinyl)aniline
SMILES: CCOC1=C(C(=CC(=C1)CNC2=CC=C(C=C2)N3CCOCC3)Br)OCC
Compound: 3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoic acid methyl ester
SMILES: CC1=C(C(=O)NC(=S)N1)CCC(=O)OC
Compound: N-[4-[(tert-butylamino)-oxomethyl]phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide
SMILES: CC(C)(C)NC(=O)C1=CC=C(C=C1)NC(=O)C2COC3=CC=CC=C3O2
Compound: LSM-34734
SMILES: C1=CC=C2C3C4[C@H](C(C2=C1)C5=CC=CC=C35)C6=NC7=CC=CC=C7N6C4=O
Compound: 1-prop-2-enyl-5-[1-(3-pyridinylmethylamino)ethylidene]-1,3-diazinane-2,4,6-trione
SMILES: CC(=C1C(=O)NC(=O)N(C1=O)CC=C)NCC2=CN=CC=C2
Compound: 1-(4-methoxy-2-nitrophenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
SMILES: COC1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCCC4)C=C3)[N+](=O)[O-]
Compound: N-(2,1,3-benzothiadiazol-4-yl)-5-(3-chlorophenyl)-2-furancarboxamide
SMILES: C1=CC(=CC(=C1)Cl)C2=CC=C(O2)C(=O)NC3=CC=CC4=NSN=C43
Compound: 2-[[(3,5-dimethylphenyl)-oxomethyl]amino]acetic acid [2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-oxoethyl] ester
SMILES: CC1=CC(=CC(=C1)C(=O)NCC(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C
Compound: 1-[9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-3-(2-phenylphenyl)urea
SMILES: C1CC2CC(CC(C1)N2CC3=CC=C(C=C3)F)NC(=O)NC4=CC=CC=C4C5=CC=CC=C5
Compound: N-(2-chlorophenyl)-4-[[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]hydrazo]-4-oxobutanamide
SMILES: COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NNC(=O)CCC(=O)NC2=CC=CC=C2Cl
Compound: N-(2-methylphenyl)-2-[5-[4-(4-morpholinyl)phenyl]-2-tetrazolyl]acetamide
SMILES: CC1=CC=CC=C1NC(=O)CN2N=C(N=N2)C3=CC=C(C=C3)N4CCOCC4
Compound: 3-(all-trans-octaprenyl)benzene-1,2-diol
SMILES: OC1=C(C\C=C(\CC\C=C(\CC\C=C(\CC\C=C(\CC\C=C(\CC\C=C(\CC\C=C(\CCC=C(C)C)/C)/C)/C)/C)/C)/C)/C)C=CC=C1O
Compound: 4-(phenylmethyl)-3-[2-(4-propoxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione
SMILES: CCCOC1=CC=C(C=C1)CCC2=NNC(=S)N2CC3=CC=CC=C3
Compound: 3-[4-(4-chlorophenyl)-1-piperazinyl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
SMILES: COC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C4=CC=C(C=C4)Cl
Compound: N-[(4-methoxyphenyl)-oxomethyl]-1-piperidinecarboxamide
SMILES: COC1=CC=C(C=C1)C(=O)NC(=O)N2CCCCC2
Compound: 4-[(4-ethyl-1-piperazinyl)methyl]-5,7-dimethyl-1-benzopyran-2-one
SMILES: CCN1CCN(CC1)CC2=CC(=O)OC3=CC(=CC(=C23)C)C
Compound: 3-(2-oxopropyl)-1,4-benzoxazin-2-one
SMILES: CC(=O)CC1=NC2=CC=CC=C2OC1=O
Compound: 2-(1-butyl-2-oxo-3-indolylidene)-2-cyanoacetamide
SMILES: CCCCN1C2=CC=CC=C2C(=C(C#N)C(=O)N)C1=O
Compound: N-butyl-N-methyl-2-benzo[cd]indolamine
SMILES: CCCCN(C)C1=NC2=CC=CC3=C2C1=CC=C3
Compound: 5-cyano-6-phenoxy-2-phenyl-3-pyridinecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(N=C(C(=C1)C#N)OC2=CC=CC=C2)C3=CC=CC=C3
Compound: 4-(5-methyl-2-furanyl)-2-[[2-(4-morpholinyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(SC=C1C2=CC=C(O2)C)NC(=O)CN3CCOCC3
Compound: 3-[5-[anilino(oxo)methyl]-2-furanyl]-2-thiophenecarboxylic acid methyl ester
SMILES: COC(=O)C1=C(C=CS1)C2=CC=C(O2)C(=O)NC3=CC=CC=C3
Compound: 5-(2-methylpropyl)-1H-pyrazole-3-carboxylic acid
SMILES: CC(C)CC1=CC(=NN1)C(=O)O
Compound: N-[[(5-bromo-6-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]-2-(2-chlorophenoxy)acetamide
SMILES: CC1=C(C=CC(=N1)NC(=S)NC(=O)COC2=CC=CC=C2Cl)Br
Compound: 2-(4-chlorophenyl)-N-[2-(4-morpholinyl)ethyl]-4-quinazolinamine
SMILES: C1COCCN1CCNC2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl
Compound: N-[7-(1-oxopropyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide
SMILES: CCC(=O)C1=CC2=C(C=C1NC(=O)C3=CC=CC=C3)OCCO2
Compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-4-triazolecarboxylic acid ethyl ester
SMILES: CCOC1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)OCC
Compound: N-[3-[3-(dimethylamino)propylamino]-1-[5-(3-nitrophenyl)-2-furanyl]-3-oxoprop-1-en-2-yl]benzamide
SMILES: CN(C)CCCNC(=O)C(=CC1=CC=C(O1)C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3=CC=CC=C3
Compound: 2-(5,7-dimethyl-3-phenyl-6-pyrazolo[1,5-a]pyrimidinyl)acetic acid ethyl ester
SMILES: CCOC(=O)CC1=C(N2C(=C(C=N2)C3=CC=CC=C3)N=C1C)C
Compound: 5,6-dimethyl-2-[1-[[1-(phenylmethyl)-5-tetrazolyl]methyl]-4-piperidinyl]-1H-benzimidazole
SMILES: CC1=CC2=C(C=C1C)N=C(N2)C3CCN(CC3)CC4=NN=NN4CC5=CC=CC=C5