MonarchInit/C3PO huggingface dataset:
Compound: (1R)-2-(cyclopropylmethyl)-N-(2,4-difluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]carboxamide
SMILES: CN1C2=C(C=CC(=C2)OC)C3=C1[C@@H](N(CC34CCN(CC4)C(=O)NC5=C(C=C(C=C5)F)F)CC6CC6)CO
Compound: (6S,7R,8S)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-4-[(4-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
SMILES: C1CCC(C1)CC#CC2=CC=C(C=C2)[C@@H]3[C@H]4CN(CC(=O)N4[C@@H]3CO)C(=O)C5=CC=C(C=C5)F
Compound: (4S,7S)-4-[(4-methoxyphenyl)methyl]-7-(2-methylpropyl)-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one
SMILES: CC(C)C[C@H]1COCC2=CN(CC[C@@H](C(=O)N1)CC3=CC=C(C=C3)OC)N=N2
Compound: 1-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-phenylurea
SMILES: C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=CC=C3)O[C@@H]1CN(C)CC4=CC=C(C=C4)C(F)(F)F)[C@H](C)CO
Compound: 1-[[(3S,9R,10S)-16-[[(4-fluoroanilino)-oxomethyl]amino]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
SMILES: C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)F)[C@H](C)CO)C)CN(C)C(=O)NC4=CC=C(C=C4)C(F)(F)F
Compound: (6R,7R,8R)-4-[cyclopropyl(oxo)methyl]-8-(hydroxymethyl)-7-[4-(4-methoxyphenyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
SMILES: COC1=CC=C(C=C1)C2=CC=C(C=C2)[C@@H]3[C@@H]4CN(CC(=O)N4[C@H]3CO)C(=O)C5CC5
Compound: (6S,7S,8S)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-4-[(4-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
SMILES: C1CCC(C1)CC#CC2=CC=C(C=C2)[C@H]3[C@H]4CN(CC(=O)N4[C@@H]3CO)C(=O)C5=CC=C(C=C5)F
Compound: (6R,7S,8S)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-4-[1-oxo-2-(2-pyridinyl)ethyl]-1,4-diazabicyclo[4.2.0]octan-2-one
SMILES: C1CCC(C1)CC#CC2=CC=C(C=C2)[C@H]3[C@@H]4CN(CC(=O)N4[C@@H]3CO)C(=O)CC5=CC=CC=N5
Compound: (E,E)-2-methyl-6-oxohepta-2,4-dienal
SMILES: CC(=O)\C=C\C=C(/C)C=O
Compound: N-[[(3R,9S,10S)-16-(benzenesulfonamido)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-4,4,4-trifluoro-N-methylbutanamide
SMILES: C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F
Compound: N-[[(4R,5S)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzamide
SMILES: C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCCC3)O[C@@H]1CN(C)C(=O)C4=CC=C(C=C4)F)[C@H](C)CO
Compound: N-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide
SMILES: C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCC(F)(F)F)O[C@H]1CN(C)CC3=CC(=C(C=C3)Cl)Cl)[C@H](C)CO
Compound: 1-[(3S,9S,10R)-9-[[cyclohexylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea
SMILES: C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)CC3CCCCC3
Compound: 1-[(2S,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-fluorophenyl)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)CC4CCCCC4)[C@@H](C)CO
Compound: N-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide
SMILES: C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@H](C)CO)C)CN(C)CC4=CC=C(C=C4)OC
Compound: [(1R,2aS,8bS)-2-(benzenesulfonyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-1-yl]methanol
SMILES: C1[C@@H]2[C@@H]([C@@H](N2S(=O)(=O)C3=CC=CC=C3)CO)C4=CC=CC=C4N1
Compound: (2S,3S)-1-[(3-chlorophenyl)methyl]-2-(hydroxymethyl)-3-phenyl-N-propyl-1,6-diazaspiro[3.3]heptane-6-carboxamide
SMILES: CCCNC(=O)N1CC2(C1)[C@H]([C@H](N2CC3=CC(=CC=C3)Cl)CO)C4=CC=CC=C4
Compound: LSM-39863
SMILES: C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)CC4=CC(=CC=C4)F)C5=CC=CC=C5N2C)[C@@H](C)CO
Compound: N-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide
SMILES: C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@H](C)CO)C)CN(C)C(=O)NC4=CC=CC5=CC=CC=C54
Compound: (3-fluorophenyl)-[(8R,9S,10S)-9-[4-[2-(1-hydroxycyclopentyl)ethynyl]phenyl]-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-6-yl]methanone
SMILES: C1CCC(C1)(C#CC2=CC=C(C=C2)[C@H]3[C@@H]4CN(CCCCN4[C@@H]3CO)C(=O)C5=CC(=CC=C5)F)O
Compound: N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]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)CC3=CC=C(C=C3)C4=CC=CC=C4)[C@@H](C)CO
Compound: (4R,7S)-4-[(4-methoxyphenyl)methyl]-7-(2-methylpropyl)-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one
SMILES: CC(C)C[C@H]1COCC2=CN(CC[C@H](C(=O)N1)CC3=CC=C(C=C3)OC)N=N2
Compound: [(1S)-1'-[(2,5-difluorophenyl)methyl]-7-methoxy-9-methyl-1-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol
SMILES: CN1C2=C(C=CC(=C2)OC)C3=C1[C@H](NCC34CCN(CC4)CC5=C(C=CC(=C5)F)F)CO
Compound: (2S,3R)-8-bromo-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
SMILES: C[C@@H]1CN(C(=O)C2=CC(=CN=C2O[C@@H]1CN(C)CC3=CC=C(C=C3)OC4=CC=CC=C4)Br)[C@@H](C)CO
Compound: 1-cyclohexyl-3-[(2S,3R)-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]urea
SMILES: C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC3CCCCC3)O[C@@H]1CN(C)CC4=CC=C(C=C4)OC)[C@H](C)CO
Compound: (6R,7S,8R)-7-[4-(2-cyclopropylethynyl)phenyl]-8-(hydroxymethyl)-4-[oxo(2-pyrazinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one
SMILES: C1CC1C#CC2=CC=C(C=C2)[C@H]3[C@@H]4CN(CC(=O)N4[C@H]3CO)C(=O)C5=NC=CN=C5
Compound: (2S,3R)-8-[3-(dimethylamino)prop-1-ynyl]-2-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
SMILES: C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C#CCN(C)C)O[C@@H]1CN(C)CC3=CC=C(C=C3)F)[C@@H](C)CO
Compound: (6S,7S,8S)-8-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-7-[4-(3-pyridinyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
SMILES: C1COCCC1C(=O)N2C[C@@H]3[C@@H]([C@H](N3C(=O)C2)CO)C4=CC=C(C=C4)C5=CN=CC=C5
Compound: N'-(2-aminophenyl)-N-[(2S,3S)-5-[(2S)-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]heptanediamide
SMILES: C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CCCCCC(=O)NC3=CC=CC=C3N)O[C@@H]1CN(C)CC4=CC=C(C=C4)C(F)(F)F)[C@@H](C)CO
Compound: LSM-39875
SMILES: CC=CC1=CC=C(C=C1)[C@@H]2[C@@H](N(C23CN(C3)C(=O)C)C(=O)C4=NC=CN=C4)CO
Compound: [(1S)-1'-(cyclopentylmethyl)-7-methoxy-9-methyl-2-(2-thiazolylmethyl)-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanol
SMILES: CN1C2=C(C=CC(=C2)OC)C3=C1[C@H](N(CC34CCN(CC4)CC5CCCC5)CC6=NC=CS6)CO
Compound: 4-[[(6S,7S,8S)-8-(hydroxymethyl)-2-oxo-7-[4-(3-pyridinyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-4-yl]methyl]benzoic acid methyl ester
SMILES: COC(=O)C1=CC=C(C=C1)CN2C[C@@H]3[C@@H]([C@H](N3C(=O)C2)CO)C4=CC=C(C=C4)C5=CN=CC=C5
Compound: N-[(2R,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide
SMILES: C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCN3CCOCC3)O[C@H]1CN(C)CC4=CC(=C(C=C4)Cl)Cl)[C@@H](C)CO
Compound: 1-[(1R)-1'-benzoyl-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-2-cyclopropylethanone
SMILES: COC1=CC2=C(C=C1)C3=C(N2)[C@@H](N(CC34CCN(CC4)C(=O)C5=CC=CC=C5)C(=O)CC6CC6)CO
Compound: 1-(3,5-dimethyl-4-isoxazolyl)-3-[(2S,3R)-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=C(ON=C3C)C)O[C@@H]1CN(C)CC4=CC=NC=C4)[C@H](C)CO
Compound: LSM-39881
SMILES: CCC(=O)N(C)C[C@@H]1[C@H]([C@@H](N1C(=O)NC(C)C)CO)C2=CC=C(C=C2)C=CC
Compound: N-[[(4R,5S)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyridin-4-ylacetamide
SMILES: C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCC3)O[C@@H]1CN(C)C(=O)CC4=CC=NC=C4)[C@H](C)CO
Compound: (8S,9S,10S)-N-cyclopentyl-10-(hydroxymethyl)-9-[4-(3-pyridinyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide
SMILES: C1CCC(C1)NC(=O)N2CCCCN3[C@H](C2)[C@@H]([C@H]3CO)C4=CC=C(C=C4)C5=CN=CC=C5
Compound: (1R)-N-(4-fluorophenyl)-1'-[(2-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide
SMILES: COC1=CC2=C(C=C1)C3=C(N2)[C@@H](N(CC34CN(C4)C(=O)C5=CC=CC=C5F)C(=O)NC6=CC=C(C=C6)F)CO
Compound: [(3aS,4S,9bS)-8-(3-methoxyphenyl)-1-(2-methylphenyl)sulfonyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
SMILES: CC1=CC=CC=C1S(=O)(=O)N2CC[C@@H]3[C@H]2C4=C(C=CC(=C4)C5=CC(=CC=C5)OC)N[C@@H]3CO
Compound: [(3aR,4R,9bR)-8-bromo-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-(2-fluorophenyl)methanone
SMILES: C1CN([C@@H]2[C@H]1[C@@H](NC3=C2C=C(C=C3)Br)CO)C(=O)C4=CC=CC=C4F
Compound: LSM-39887
SMILES: CC=CC1=CC=C(C=C1)[C@H]2[C@H]3CN(CCCCN3[C@H]2CO)S(=O)(=O)C4=CC=C(C=C4)OC
Compound: (1S,2aR,8bR)-N-(2-fluorophenyl)-1-(hydroxymethyl)-2-[1-oxo-2-(3-pyridinyl)ethyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
SMILES: C1[C@H]2[C@H]([C@H](N2C(=O)CC3=CN=CC=C3)CO)C4=CC=CC=C4N1C(=O)NC5=CC=CC=C5F
Compound: N-[(3R,9R,10R)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4,4,4-trifluorobutanamide
SMILES: C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@@H](C)CO)C)CN(C)CC3CC3
Compound: N-[(3S,9R,10R)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-1-methyl-4-imidazolesulfonamide
SMILES: C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)[C@@H](C)CO)C)CN(C)CC4CC4
Compound: N-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide
SMILES: C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@H](C)CO)C)CN(C)CC4=CC=CC=C4
Compound: 4-[(3aS,4S,9bS)-1-[cyclobutyl(oxo)methyl]-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]benzonitrile
SMILES: C1CC(C1)C(=O)N2CC[C@@H]3[C@H]2C4=C(C=CC(=C4)C5=CC=C(C=C5)C#N)N[C@@H]3CO
Compound: 1-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
SMILES: C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC(C)C)O[C@H]1CN(C)S(=O)(=O)C)[C@@H](C)CO
Compound: N-[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide
SMILES: C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)CC4=CC=CC=C4
Compound: 4-[[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-9-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzoic acid
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]1CN(C)CC4=CC=C(C=C4)C(=O)O)[C@H](C)CO
Compound: 1-[(3R,9R,10R)-9-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-methoxyphenyl)urea
SMILES: C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)OC)[C@@H](C)CO)C)CN(C)CC4=CC(=C(C=C4)Cl)Cl
Compound: [(8R,9S,10R)-9-[4-(4-fluorophenyl)phenyl]-6-methyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
SMILES: CN1CCCCN2[C@@H](C1)[C@@H]([C@@H]2CO)C3=CC=C(C=C3)C4=CC=C(C=C4)F
Compound: (1R)-1-(hydroxymethyl)-7-methoxy-2-methylsulfonyl-N-phenyl-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide
SMILES: COC1=CC2=C(C=C1)C3=C(N2)[C@@H](N(CC34CCN(CC4)C(=O)NC5=CC=CC=C5)S(=O)(=O)C)CO
Compound: (3R)-3-(2-hydroxyethyl)-N,N-dimethyl-2-(1-oxopropyl)-4-[3-(5-pyrimidinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
SMILES: CCC(=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CN=CN=C4)C(=O)N(C)C
Compound: LSM-39900
SMILES: C[C@H]1C(=O)N(CC[C@H]2CC[C@@H]([C@@H](O2)COC3=C(C=CC=C3C(=O)N1C)C#N)OC)C
Compound: (6R,7R,8S)-4-[(3-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-7-[4-(4-methylpent-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
SMILES: CC(C)CC#CC1=CC=C(C=C1)[C@@H]2[C@@H]3CN(CC(=O)N3[C@@H]2CO)C(=O)C4=CC(=CC=C4)F
Compound: cyclopropyl-[(1S)-2-[(2,5-difluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanone
SMILES: CN1C2=C(C=CC(=C2)OC)C3=C1[C@H](N(CC34CN(C4)C(=O)C5CC5)CC6=C(C=CC(=C6)F)F)CO
Compound: N-[[(4S,5S)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-2-cyclopropyl-N-methylacetamide
SMILES: C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCCC3)O[C@@H]1CN(C)C(=O)CC4CC4)[C@H](C)CO
Compound: (3aS,4S,9bR)-8-bromo-N-(2-fluorophenyl)-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide
SMILES: CN1[C@@H]([C@H]2CCN([C@H]2C3=C1C=CC(=C3)Br)C(=O)NC4=CC=CC=C4F)CO
Compound: LSM-39905
SMILES: CN1CCCC(=O)N(C[C@H]2[C@@H](CC[C@@H](O2)CCOC3=C(C1=O)C=C(C=C3)C#N)OC)C
Compound: [(1S,2aS,8bS)-2-(benzenesulfonyl)-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-1-yl]methanol
SMILES: CN1C[C@@H]2[C@@H]([C@H](N2S(=O)(=O)C3=CC=CC=C3)CO)C4=CC=CC=C41
Compound: (1S)-2-acetyl-N-(2,4-difluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide
SMILES: CC(=O)N1CC2(CCN(CC2)C(=O)NC3=C(C=C(C=C3)F)F)C4=C([C@H]1CO)NC5=C4C=CC(=C5)OC
Compound: (6R,7R,8R)-7-[4-(2-cyclohexylethynyl)phenyl]-8-(hydroxymethyl)-2-oxo-N-phenyl-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
SMILES: C1CCC(CC1)C#CC2=CC=C(C=C2)[C@@H]3[C@@H]4CN(CC(=O)N4[C@H]3CO)C(=O)NC5=CC=CC=C5
Compound: 1-[(2S,3R)-5-[(2S)-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]-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)CC4=CC=C(C=C4)C(F)(F)F)[C@@H](C)CO
Compound: N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide
SMILES: C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@H](C)CO)C)CN(C)CC4=CC=CC=C4
Compound: (6S,7R,8R)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-4-[(4-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
SMILES: C1CCC(C1)CC#CC2=CC=C(C=C2)[C@@H]3[C@H]4CN(CC(=O)N4[C@H]3CO)C(=O)C5=CC=C(C=C5)F
Compound: LSM-39912
SMILES: CN1CC[C@@H]2CC[C@H]([C@H](O2)COC3=C(C=C(C=C3)C#N)C(=O)N(C[C@@H](CC1=O)C4=CC=CC=C4)C)OC
Compound: N-[[(2S,3R,4S)-1-acetyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-N-(2-methylpropyl)-2-pyridinecarboxamide
SMILES: CC(C)CN(C[C@@H]1[C@H]([C@H](N1C(=O)C)CO)C2=CC=CC=C2)C(=O)C3=CC=CC=N3
Compound: N-[(3S,9R,10R)-9-[[cyclohexylmethyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide
SMILES: C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)[C@@H](C)CO)C)CN(C)CC4CCCCC4
Compound: 1-[(3R,9S,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-methoxyphenyl)urea
SMILES: C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)OC)[C@H](C)CO)C)CN(C)CC4CC4
Compound: 1-[(2S,3R)-1-(cyclopropylmethyl)-3-[4-(4-fluorophenyl)phenyl]-2-(hydroxymethyl)-1,6-diazaspiro[3.3]heptan-6-yl]ethanone
SMILES: CC(=O)N1CC2(C1)[C@@H]([C@H](N2CC3CC3)CO)C4=CC=C(C=C4)C5=CC=C(C=C5)F
Compound: (6S,7S,8S)-8-(hydroxymethyl)-7-[4-(2-phenylethynyl)phenyl]-4-(phenylmethyl)sulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one
SMILES: C1[C@@H]2[C@@H]([C@H](N2C(=O)CN1S(=O)(=O)CC3=CC=CC=C3)CO)C4=CC=C(C=C4)C#CC5=CC=CC=C5
Compound: N-[[(2R,3S,4R)-3-[4-(1-cyclohexenyl)phenyl]-1-(cyclopropylmethyl)-4-(hydroxymethyl)-2-azetidinyl]methyl]-N-ethylacetamide
SMILES: CCN(C[C@H]1[C@@H]([C@@H](N1CC2CC2)CO)C3=CC=C(C=C3)C4=CCCCC4)C(=O)C
Compound: N-[[(3R,9R,10R)-16-(benzenesulfonamido)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-4,4,4-trifluoro-N-methylbutanamide
SMILES: C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F
Compound: (6S,7S,8R)-4-[(2-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-7-[4-(2-phenylethynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
SMILES: C1[C@@H]2[C@@H]([C@@H](N2C(=O)CN1C(=O)C3=CC=CC=C3F)CO)C4=CC=C(C=C4)C#CC5=CC=CC=C5
Compound: 1-[(1R,2aR,8bR)-2-[2-(dimethylamino)-1-oxoethyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-2-phenylethanone
SMILES: CN(C)CC(=O)N1[C@H]2CN(C3=CC=CC=C3[C@H]2[C@@H]1CO)C(=O)CC4=CC=CC=C4
Compound: [(1S,2aR,8bR)-2-(3-pyridinylmethyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-1-yl]methanol
SMILES: C1[C@H]2[C@H]([C@H](N2CC3=CN=CC=C3)CO)C4=CC=CC=C4N1
Compound: N-[(2R,3R)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide
SMILES: C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3CC3)O[C@H]1CN(C)C(=O)NC4=CC=C(C=C4)F)[C@@H](C)CO
Compound: 1-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-phenylurea
SMILES: C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=CC=C3)O[C@@H]1CN(C)CC4=CC=C(C=C4)C(F)(F)F)[C@@H](C)CO
Compound: 1,3-benzodioxol-5-yl-[(8S,9S,10S)-9-[4-[(3R)-3-hydroxybut-1-ynyl]phenyl]-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-6-yl]methanone
SMILES: C[C@H](C#CC1=CC=C(C=C1)[C@H]2[C@H]3CN(CCCCN3[C@@H]2CO)C(=O)C4=CC5=C(C=C4)OCO5)O
Compound: 1-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea
SMILES: C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)OC)O[C@H]1CN(C)CC4=CC5=C(C=C4)OCO5)[C@H](C)CO
Compound: N-[[(3S,9S,10S)-16-(benzenesulfonamido)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-4,4,4-trifluoro-N-methylbutanamide
SMILES: C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F
Compound: N-[[(2S,3S)-10-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide
SMILES: C[C@H]1CN(C(=O)C2=C(C(=CC=C2)N(C)C)O[C@@H]1CN(C)S(=O)(=O)C3=CC=C(C=C3)OC)[C@@H](C)CO
Compound: (1S,2aS,8bS)-1-(hydroxymethyl)-N-propan-2-yl-2-(2-pyridinylmethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
SMILES: CC(C)NC(=O)N1C[C@@H]2[C@@H]([C@H](N2CC3=CC=CC=N3)CO)C4=CC=CC=C41
Compound: [(1S)-1-(hydroxymethyl)-7-methoxy-1'-spiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,4'-piperidine]yl]-(4-oxanyl)methanone
SMILES: COC1=CC2=C(C=C1)C3=C(N2)[C@H](NCC34CCN(CC4)C(=O)C5CCOCC5)CO
Compound: (1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-N-propan-2-yl-2-(2-pyridinylmethyl)-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide
SMILES: CC(C)NC(=O)N1CC2(C1)CN([C@@H](C3=C2C4=C(N3C)C=C(C=C4)OC)CO)CC5=CC=CC=N5
Compound: (4S,7S)-4-[(4-methoxyphenyl)methyl]-7-(phenylmethyl)-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one
SMILES: COC1=CC=C(C=C1)C[C@H]2CCN3C=C(COC[C@@H](NC2=O)CC4=CC=CC=C4)N=N3
Compound: LSM-39933
SMILES: C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C=CC3=CC=CC=C3)O[C@H]1CN(C)CC4=CN=CN=C4)[C@@H](C)CO
Compound: LSM-39934
SMILES: CCC(=O)N1[C@@H]([C@H]([C@@H]1CO)C2=CC=C(C=C2)C=CC)CNC(=O)C3=CC=NC=C3
Compound: (2S,3S,4R)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-1-[2-(4-morpholinyl)-1-oxoethyl]-2-azetidinecarbonitrile
SMILES: C1CCC(=CC1)C2=CC=C(C=C2)[C@@H]3[C@@H](N([C@@H]3C#N)C(=O)CN4CCOCC4)CO
Compound: N-[[(4S,5R)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-phenylacetamide
SMILES: C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCCC3)O[C@H]1CN(C)C(=O)CC4=CC=CC=C4)[C@@H](C)CO
Compound: N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
SMILES: C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=NC=C3)O[C@@H]1CN(C)CC4=CC=C(C=C4)C5=CC=CC=C5)[C@H](C)CO
Compound: 4-[[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(1-oxo-2-phenylethyl)amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzoic acid
SMILES: C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)O[C@H]1CN(C)CC4=CC=C(C=C4)C(=O)O)[C@@H](C)CO
Compound: 1-[(2S,3R)-3-[4-(4-fluorophenyl)phenyl]-2-(hydroxymethyl)-1-(1-oxopropyl)-1,6-diazaspiro[3.3]heptan-6-yl]-1-propanone
SMILES: CCC(=O)N1CC2(C1)[C@@H]([C@H](N2C(=O)CC)CO)C3=CC=C(C=C3)C4=CC=C(C=C4)F
Compound: [(3aR,4R,9bR)-4-(hydroxymethyl)-8-(2-phenylethynyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-(3-fluorophenyl)methanone
SMILES: C1CN([C@@H]2[C@H]1[C@@H](NC3=C2C=C(C=C3)C#CC4=CC=CC=C4)CO)C(=O)C5=CC(=CC=C5)F
Compound: (3S,6aR,8R,10aR)-N-(1,3-benzodioxol-5-yl)-3-hydroxy-8-[2-(methylamino)-2-oxoethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
SMILES: CNC(=O)C[C@H]1CC[C@@H]2[C@@H](O1)COC[C@H](CN2C(=O)NC3=CC4=C(C=C3)OCO4)O
Compound: [(3aR,4S,9bR)-1-(benzenesulfonyl)-8-bromo-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
SMILES: C1CN([C@@H]2[C@H]1[C@H](NC3=C2C=C(C=C3)Br)CO)S(=O)(=O)C4=CC=CC=C4
Compound: (1S,2aR,8bR)-1-(hydroxymethyl)-N-propan-2-yl-2-(2-pyridinylmethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
SMILES: CC(C)NC(=O)N1C[C@H]2[C@H]([C@H](N2CC3=CC=CC=N3)CO)C4=CC=CC=C41
Compound: 1-[(1S)-1-(hydroxymethyl)-7-methoxy-1'-(2-thiazolylmethyl)-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-1-butanone
SMILES: CCCC(=O)N1CC2(CN(C2)CC3=NC=CS3)C4=C([C@H]1CO)NC5=C4C=CC(=C5)OC
Compound: 1-[(3aR,4R,9bR)-8-(2-fluorophenyl)-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-2-pyridin-4-ylethanone
SMILES: C1CN([C@@H]2[C@H]1[C@@H](NC3=C2C=C(C=C3)C4=CC=CC=C4F)CO)C(=O)CC5=CC=NC=C5
Compound: (1R)-1'-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-N-propyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide
SMILES: CCCNC(=O)N1CC2(CN(C2)CC3=CC(=CC=C3)F)C4=C([C@@H]1CO)NC5=C4C=CC(=C5)OC
Compound: [(1S)-7-methoxy-1'-(4-methoxyphenyl)sulfonyl-2-(pyridin-4-ylmethyl)-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol
SMILES: COC1=CC=C(C=C1)S(=O)(=O)N2CCC3(CC2)CN([C@@H](C4=C3C5=C(N4)C=C(C=C5)OC)CO)CC6=CC=NC=C6
Compound: (1R)-1-(hydroxymethyl)-7-methoxy-2-[4-oxanyl(oxo)methyl]-N-propan-2-yl-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide
SMILES: CC(C)NC(=O)N1CC2(C1)CN([C@H](C3=C2C4=C(N3)C=C(C=C4)OC)CO)C(=O)C5CCOCC5
Compound: LSM-39949
SMILES: CN1CC[C@H]2CC[C@H]([C@@H](O2)COC3=C(C=C(C=C3)C#N)C(=O)N(CCCC1=O)C)OC
Compound: N-[(3R,9S,10S)-9-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-fluorobenzenesulfonamide
SMILES: C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)F)[C@@H](C)CO)C)CN(C)CC4=CC(=C(C=C4)Cl)Cl
Compound: 1-[(1S)-1'-[(4-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-1-propanone
SMILES: CCC(=O)N1CC2(CN(C2)CC3=CC=C(C=C3)F)C4=C([C@H]1CO)N(C5=C4C=CC(=C5)OC)C
Compound: 1-[(2S,3R)-6-acetyl-2-(hydroxymethyl)-3-[4-(2-methylphenyl)phenyl]-1,6-diazaspiro[3.3]heptan-1-yl]-2-cyclopropylethanone
SMILES: CC1=CC=CC=C1C2=CC=C(C=C2)[C@@H]3[C@H](N(C34CN(C4)C(=O)C)C(=O)CC5CC5)CO
Compound: [(2R,3R)-1-[(2-fluorophenyl)methyl]-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-(4-oxanyl)methanone
SMILES: C1COCCC1C(=O)N2CC3(C2)[C@@H]([C@@H](N3CC4=CC=CC=C4F)CO)C5=CC=CC=C5
Compound: [(8R,9R,10R)-9-[4-(2-methylphenyl)phenyl]-6-(phenylmethyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
SMILES: CC1=CC=CC=C1C2=CC=C(C=C2)[C@@H]3[C@@H]4CN(CCCCN4[C@H]3CO)S(=O)(=O)CC5=CC=CC=C5
Compound: (1R)-N-cyclohexyl-1-(hydroxymethyl)-7-methoxy-1',9-dimethyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]carboxamide
SMILES: CN1CCC2(CC1)CN([C@H](C3=C2C4=C(N3C)C=C(C=C4)OC)CO)C(=O)NC5CCCCC5
Compound: LSM-39956
SMILES: CCC(=O)NC[C@@H]1[C@@H]([C@@H](N1CC2=CC=CC=N2)CO)C3=CC=C(C=C3)C=CC
Compound: 1-[(1S,2aR,8bR)-1-(hydroxymethyl)-2-(phenylmethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-2-methoxyethanone
SMILES: COCC(=O)N1C[C@H]2[C@H]([C@H](N2CC3=CC=CC=C3)CO)C4=CC=CC=C41
Compound: 1-[(1S,2aS,8bS)-1-(hydroxymethyl)-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-2-methoxyethanone
SMILES: CN1C[C@@H]2[C@@H]([C@H](N2C(=O)COC)CO)C3=CC=CC=C31
Compound: N-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide
SMILES: C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)[C@@H](C)CO)C)CN(C)CC4=CC=NC=C4
Compound: (6S,7R,8S)-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-4-(1-oxo-2-phenylethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
SMILES: CC(C)C#CC1=CC=C(C=C1)[C@@H]2[C@H]3CN(CC(=O)N3[C@@H]2CO)C(=O)CC4=CC=CC=C4
Compound: [(1S)-2-(cyclopropylmethyl)-1'-[(4-fluorophenyl)methyl]-7-methoxy-9-methyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanol
SMILES: CN1C2=C(C=CC(=C2)OC)C3=C1[C@H](N(CC34CCN(CC4)CC5=CC=C(C=C5)F)CC6CC6)CO
Compound: N-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-1-methyl-4-imidazolesulfonamide
SMILES: C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)[C@@H](C)CO)C)CN(C)CC4=CC=C(C=C4)C(F)(F)F
Compound: N'-(2-aminophenyl)-N-[(2R,3R)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide
SMILES: C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CCCCCC(=O)NC3=CC=CC=C3N)O[C@H]1CN(C)C(=O)NC4=CC=C(C=C4)F)[C@@H](C)CO
Compound: 2-[(2S,4aR,12aS)-8-[[(3,4-difluoroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILES: CN1[C@@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC(=C(C=C4)F)F)CC(=O)NCC5=CC=CC=C5OC
Compound: 4-[4-[(1S,5R)-6-(cyclohexylmethyl)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]-N,N-dimethylbenzamide
SMILES: CN(C)C(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C3[C@H]4CNC[C@@H]3N4CC5CCCCC5
Compound: 5-phenyl-3-[[(1R,5S)-7-(4-phenylphenyl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]isoxazole
SMILES: C1[C@@H]2C([C@@H](N2CC3=NOC(=C3)C4=CC=CC=C4)CN1)C5=CC=C(C=C5)C6=CC=CC=C6
Compound: [(1S,2aS,8bS)-1-(hydroxymethyl)-4-[(3-methoxyphenyl)-oxomethyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-(4-fluorophenyl)methanone
SMILES: COC1=CC=CC(=C1)C(=O)N2C[C@@H]3[C@@H]([C@H](N3C(=O)C4=CC=C(C=C4)F)CO)C5=CC=CC=C52
Compound: 1-[(1R)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-[oxo(2-pyridinyl)methyl]-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-2-phenylethanone
SMILES: CN1C2=C(C=CC(=C2)OC)C3=C1[C@@H](N(CC34CN(C4)C(=O)CC5=CC=CC=C5)C(=O)C6=CC=CC=N6)CO
Compound: [(1R,2aS,8bS)-4-[(2-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-cyclopentylmethanone
SMILES: C1CCC(C1)C(=O)N2[C@@H]3CN(C4=CC=CC=C4[C@@H]3[C@@H]2CO)C(=O)C5=CC=CC=C5F
Compound: [(8S,9R,10R)-6-(4-fluorophenyl)sulfonyl-9-[4-(5-pyrimidinyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
SMILES: C1CCN2[C@H](CN(C1)S(=O)(=O)C3=CC=C(C=C3)F)[C@H]([C@@H]2CO)C4=CC=C(C=C4)C5=CN=CN=C5
Compound: (6S,7S,8R)-N-(2-fluorophenyl)-8-(hydroxymethyl)-2-oxo-7-[4-(3-pyridinyl)phenyl]-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
SMILES: C1[C@@H]2[C@@H]([C@@H](N2C(=O)CN1C(=O)NC3=CC=CC=C3F)CO)C4=CC=C(C=C4)C5=CN=CC=C5
Compound: N'-(2-aminophenyl)-N-[(3S,9S,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]heptanediamide
SMILES: C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCCCC(=O)NC3=CC=CC=C3N)[C@H](C)CO)C)CN(C)CC4CC4
Compound: (2R,3S)-2-[[cyclopentylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-8-[2-(4-methoxyphenyl)ethynyl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
SMILES: C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC3=CC=C(C=C3)OC)O[C@H]1CN(C)CC4CCCC4)[C@H](C)CO
Compound: N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-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=CC=C(C=C4)C(F)(F)F)[C@@H](C)CO
Compound: 1-[[(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]-3-(4-methoxyphenyl)-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=CC=C(C=C3)OC)[C@H](C)CO
Compound: N-[[(4S,5S)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide
SMILES: C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCC3)O[C@@H]1CN(C)C(=O)C4=CC=CC=C4)[C@@H](C)CO
Compound: (2S)-2-[(4S,5R)-8-(1-cyclopentenyl)-5-[[(2-fluorophenyl)methyl-methylamino]methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
SMILES: C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCC3)O[C@H]1CN(C)CC4=CC=CC=C4F)[C@@H](C)CO
Compound: 4-[[(6S,7R,8S)-8-(hydroxymethyl)-2-oxo-7-[4-(3-pyridinyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-4-yl]methyl]benzoic acid methyl ester
SMILES: COC(=O)C1=CC=C(C=C1)CN2C[C@@H]3[C@H]([C@H](N3C(=O)C2)CO)C4=CC=C(C=C4)C5=CN=CC=C5
Compound: (2S,3S)-1-(2-cyclopropyl-1-oxoethyl)-2-(hydroxymethyl)-3-phenyl-N-propyl-1,6-diazaspiro[3.3]heptane-6-carboxamide
SMILES: CCCNC(=O)N1CC2(C1)[C@H]([C@H](N2C(=O)CC3CC3)CO)C4=CC=CC=C4
Compound: N-[[(4S,5S)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzenesulfonamide
SMILES: C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCC3)O[C@@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)F)[C@H](C)CO
Compound: LSM-39981
SMILES: C1[C@H]2[C@@H]([C@H](N2C(=O)CN1C(=O)NC3=C(C=CC(=C3)F)F)CO)C4=CC=C(C=C4)C=CC5=CC=CC=C5
Compound: [(3aS,4S,9bS)-8-(3-fluorophenyl)-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-(4-oxanyl)methanone
SMILES: C1CN([C@H]2[C@@H]1[C@H](NC3=C2C=C(C=C3)C4=CC(=CC=C4)F)CO)C(=O)C5CCOCC5
Compound: 3-[(2R,3S)-2-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-8-yl]benzonitrile
SMILES: C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CC=CC(=C3)C#N)O[C@H]1CN(C)CC4=CC=C(C=C4)F)[C@@H](C)CO
Compound: 3-[4-[(1S,5R)-6-(1,3-benzodioxol-5-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]-N,N-dimethylbenzamide
SMILES: CN(C)C(=O)C1=CC=CC(=C1)C2=CC=C(C=C2)C3[C@H]4CNC[C@@H]3N4CC5=CC6=C(C=C5)OCO6
Compound: N-(2-aminophenyl)-N'-[(2R,3S)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]heptanediamide
SMILES: C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)CCCCCC(=O)NC3=CC=CC=C3N)O[C@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)Cl)[C@H](C)CO
Compound: N-[(2R,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]-2-phenylacetamide
SMILES: C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)O[C@H]1CN(C)CC4=CC=C(C=C4)OC)[C@H](C)CO
Compound: 3-[4-[(8R,9S,10R)-10-(hydroxymethyl)-6-(3-pyridinylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-N,N-dimethylbenzamide
SMILES: CN(C)C(=O)C1=CC=CC(=C1)C2=CC=C(C=C2)[C@H]3[C@@H]4CN(CCCCN4[C@H]3CO)CC5=CN=CC=C5
Compound: 1-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-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=CC4=C(C=C3)OCO4)[C@@H](C)CO
Compound: (3aS,4R,9bR)-4-(hydroxymethyl)-5-methyl-8-(2-phenylethynyl)-N-propan-2-yl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide
SMILES: CC(C)NC(=O)N1CC[C@H]2[C@@H]1C3=C(C=CC(=C3)C#CC4=CC=CC=C4)N([C@H]2CO)C
Compound: 1-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-8-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
SMILES: C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C)O[C@@H]1CN(C)C(=O)NC3=CC=CC4=CC=CC=C43)[C@@H](C)CO
Compound: LSM-39991
SMILES: C[C@H]1C(=O)N(CC[C@H]2CC[C@@H]([C@@H](O2)COC3=C(C=C(C=C3)C#N)C(=O)N1C)OC)C
Compound: N-[[(2R,3R,4R)-4-(hydroxymethyl)-3-phenyl-1-(3-pyridinylmethyl)-2-azetidinyl]methyl]-2-pyridinecarboxamide
SMILES: C1=CC=C(C=C1)[C@@H]2[C@@H](N([C@H]2CO)CC3=CN=CC=C3)CNC(=O)C4=CC=CC=N4
Compound: (6R,7R,8R)-8-(hydroxymethyl)-7-[4-(3-methoxyprop-1-ynyl)phenyl]-4-[oxo(pyridin-4-yl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one
SMILES: COCC#CC1=CC=C(C=C1)[C@@H]2[C@@H]3CN(CC(=O)N3[C@H]2CO)C(=O)C4=CC=NC=C4
Compound: [(1R)-1-(hydroxymethyl)-7-methoxy-2,9-dimethyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-(3-pyridinyl)methanone
SMILES: CN1CC2(CCN(CC2)C(=O)C3=CN=CC=C3)C4=C([C@@H]1CO)N(C5=C4C=CC(=C5)OC)C
Compound: N-(2-aminophenyl)-4-[[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-10-[[oxo-[4-(2-thiazolyl)phenyl]methyl]amino]-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)NC(=O)C3=CC=C(C=C3)C4=NC=CS4)O[C@@H]1CN(C)CC5=CC=C(C=C5)C(=O)NC6=CC=CC=C6N)[C@H](C)CO
Compound: N-[[(2R,3R)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-N-methylbenzenesulfonamide
SMILES: C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)N(C)C)O[C@H]1CN(C)S(=O)(=O)C3=CC=CC=C3)[C@@H](C)CO
Compound: [(8S,9R,10S)-6-(benzenesulfonyl)-9-[4-(2-cyclopentylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
SMILES: C1CCC(C1)C#CC2=CC=C(C=C2)[C@@H]3[C@H]4CN(CCCCN4[C@@H]3CO)S(=O)(=O)C5=CC=CC=C5
Compound: 2-(dimethylamino)-N-[[(2S,3R,4S)-4-(hydroxymethyl)-1-methylsulfonyl-3-phenyl-2-azetidinyl]methyl]-N-propan-2-ylacetamide
SMILES: CC(C)N(C[C@@H]1[C@H]([C@H](N1S(=O)(=O)C)CO)C2=CC=CC=C2)C(=O)CN(C)C
Compound: N'-(2-aminophenyl)-N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide
SMILES: C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CCCCCC(=O)NC3=CC=CC=C3N)O[C@H]1CN(C)CC4=CC=C(C=C4)C5=CC=CC=C5)[C@H](C)CO
Compound: 2-[(3S,6aR,8R,10aR)-3-hydroxy-1-(1-oxopropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-methylacetamide
SMILES: CCC(=O)N1C[C@@H](COC[C@H]2[C@H]1CC[C@@H](O2)CC(=O)NC)O
Compound: N-[[(2S,3S,4S)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-N-ethyl-3-pyridinecarboxamide
SMILES: CCN(C[C@@H]1[C@@H]([C@H](N1)CO)C2=CC=C(C=C2)C3=CCCC3)C(=O)C4=CN=CC=C4
Compound: 1-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
SMILES: C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC(C)C)O[C@@H]1CN(C)S(=O)(=O)C)[C@H](C)CO
Compound: (2S)-2-[(4R,5R)-5-[(dimethylamino)methyl]-8-[2-(3-methoxyphenyl)ethynyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
SMILES: C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3=CC(=CC=C3)OC)O[C@H]1CN(C)C)[C@@H](C)CO
Compound: 1-[(3S,9R,10R)-9-[[cyclohexylmethyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea
SMILES: C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=C(ON=C3C)C)[C@@H](C)CO)C)CN(C)CC4CCCCC4
Compound: [(8R,9R,10S)-6-(4-fluorophenyl)sulfonyl-9-[4-(5-pyrimidinyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
SMILES: C1CCN2[C@@H](CN(C1)S(=O)(=O)C3=CC=C(C=C3)F)[C@H]([C@H]2CO)C4=CC=C(C=C4)C5=CN=CN=C5
Compound: N-[(2S,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]methanesulfonamide
SMILES: C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C)O[C@@H]1CN(C)CC3=CC4=C(C=C3)OCO4)[C@H](C)CO
Compound: 1-[(1R)-1-(hydroxymethyl)-7-methoxy-1'-(phenylmethyl)-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-2-methoxyethanone
SMILES: COCC(=O)N1CC2(CCN(CC2)CC3=CC=CC=C3)C4=C([C@@H]1CO)NC5=C4C=CC(=C5)OC
Compound: N-[[(2S,3R,4R)-1-acetyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-4-fluoro-N-propan-2-ylbenzamide
SMILES: CC(C)N(C[C@@H]1[C@H]([C@@H](N1C(=O)C)CO)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)F
Compound: (6S,7S,8S)-8-(hydroxymethyl)-7-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]-2-oxo-N-propan-2-yl-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
SMILES: CC(C)NC(=O)N1C[C@@H]2[C@@H]([C@H](N2C(=O)C1)CO)C3=CC=C(C=C3)C#CC4=CC=C(C=C4)OC
Compound: 4-[(3aR,4S,9bR)-4-(hydroxymethyl)-1-(2-methoxyphenyl)sulfonyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]benzonitrile
SMILES: COC1=CC=CC=C1S(=O)(=O)N2CC[C@H]3[C@@H]2C4=C(C=CC(=C4)C5=CC=C(C=C5)C#N)N[C@@H]3CO
Compound: 1-[(1R)-1'-(cyclopropylmethyl)-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-2-(dimethylamino)ethanone
SMILES: CN(C)CC(=O)N1CC2(CN(C2)CC3CC3)C4=C([C@@H]1CO)NC5=C4C=CC(=C5)OC
Compound: N-[[(2R,3S)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-N-methylbenzenesulfonamide
SMILES: C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)N(C)C)O[C@H]1CN(C)S(=O)(=O)C3=CC=CC=C3)[C@H](C)CO
Compound: disodium cromoglycate
SMILES: [Na+].[Na+].OC(COc1cccc2oc(cc(=O)c12)C([O-])=O)COc1cccc2oc(cc(=O)c12)C([O-])=O
Compound: valienol 1-phosphate
SMILES: [C@@H]1([C@@H]([C@H]([C@H](C=C1CO)OP(O)(O)=O)O)O)O
Compound: (6S,7S,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-N-(4-methoxyphenyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
SMILES: COC1=CC=C(C=C1)NC(=O)N2C[C@@H]3[C@@H]([C@@H](N3C(=O)C2)CO)C4=CC=C(C=C4)Br
Compound: 4-(dimethylamino)-N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide
SMILES: C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCCN(C)C)O[C@H]1CN(C)CC3=CC=C(C=C3)OC4=CC=CC=C4)[C@@H](C)CO
Compound: LSM-40016
SMILES: CN(C)CC(=O)N1CCCCN2[C@H](C1)[C@@H]([C@@H]2CO)C3=CC=C(C=C3)C=CC4=CC=CC=C4
Compound: N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(phenylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-methylbenzenesulfonamide
SMILES: C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)O[C@H]1CN(C)CC4=CC=CC=C4)[C@@H](C)CO
Compound: 1-[(8R,9R,10R)-10-(hydroxymethyl)-9-[4-(4-methoxyphenyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-6-yl]-2-pyridin-4-ylethanone
SMILES: COC1=CC=C(C=C1)C2=CC=C(C=C2)[C@@H]3[C@@H]4CN(CCCCN4[C@H]3CO)C(=O)CC5=CC=NC=C5
Compound: [(1R)-1'-(cyclohexylmethyl)-7-methoxy-9-methyl-2-methylsulfonyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanol
SMILES: CN1C2=C(C=CC(=C2)OC)C3=C1[C@@H](N(CC34CCN(CC4)CC5CCCCC5)S(=O)(=O)C)CO
Compound: (4S,7S)-4-(phenylmethyl)-7-propan-2-yl-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one
SMILES: CC(C)[C@H]1COCC2=CN(CC[C@@H](C(=O)N1)CC3=CC=CC=C3)N=N2
Compound: 1-[(1R)-2-[(2-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-2-methoxyethanone
SMILES: COCC(=O)N1CC2(C1)CN([C@H](C3=C2C4=C(N3)C=C(C=C4)OC)CO)CC5=CC=CC=C5F
Compound: N-[[(3R,9S,10R)-16-(benzenesulfonamido)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-4,4,4-trifluoro-N-methylbutanamide
SMILES: C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F
Compound: 1-[(3S,9S,10R)-9-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea
SMILES: C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)[C@H](C)CO)C)CN(C)S(=O)(=O)C4=CC=C(C=C4)Cl
Compound: 1-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea
SMILES: C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC(C)C)O[C@@H]1CN(C)CC3=CC(=C(C=C3)Cl)Cl)[C@H](C)CO
Compound: N-[(3S,9S,10R)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-1-methyl-4-imidazolesulfonamide
SMILES: C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)[C@H](C)CO)C)CN(C)CC4CC4
Compound: N-[(2R,3S)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide
SMILES: C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3CC3)O[C@H]1CN(C)C(=O)NC4=CC=C(C=C4)F)[C@@H](C)CO
Compound: (2S,3S)-8-[3-(dimethylamino)prop-1-ynyl]-2-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
SMILES: C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C#CCN(C)C)O[C@@H]1CN(C)CC3=CC=C(C=C3)F)[C@H](C)CO
Compound: [(1R,2aR,8bR)-2-(1,3-benzodioxol-5-ylmethyl)-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(3-pyridinyl)methanone
SMILES: C1[C@H]2[C@H]([C@@H](N2CC3=CC4=C(C=C3)OCO4)CO)C5=CC=CC=C5N1C(=O)C6=CN=CC=C6
Compound: N-[(2S,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-phenylacetamide
SMILES: C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)O[C@@H]1CN(C)CC4=CC5=C(C=C4)OCO5)[C@H](C)CO
Compound: N-[[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide
SMILES: C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)[C@H](C)CO)C)CN(C)C(=O)CC4=CC=CC=C4
Compound: 1-[(1R)-2-[(4-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-1-butanone
SMILES: CCCC(=O)N1CCC2(CC1)CN([C@H](C3=C2C4=C(N3)C=C(C=C4)OC)CO)CC5=CC=C(C=C5)Cl
Compound: (6R,7R,8R)-7-[4-(2-fluorophenyl)phenyl]-8-(hydroxymethyl)-4-[(4-methylphenyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one
SMILES: CC1=CC=C(C=C1)CN2C[C@H]3[C@H]([C@@H](N3C(=O)C2)CO)C4=CC=C(C=C4)C5=CC=CC=C5F
Compound: 2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[oxo(3-pyridinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(phenylmethyl)acetamide
SMILES: C1C[C@@H]2[C@H](COC[C@@H](CN2C(=O)C3=CN=CC=C3)O)O[C@@H]1CC(=O)NCC4=CC=CC=C4
Compound: N-[[(2R,3S,4S)-1-acetyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-4-fluoro-N-propan-2-ylbenzamide
SMILES: CC(C)N(C[C@H]1[C@@H]([C@H](N1C(=O)C)CO)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)F
Compound: LSM-40035
SMILES: C[C@H]1CN(C(=O)C2=C(C=CC(=C2)C#N)OCC[C@@H]3CC[C@H]([C@@H](O3)CN(C1=O)C)OC)C
Compound: [(8R,9S,10S)-6-(4-fluorophenyl)sulfonyl-9-[4-(5-pyrimidinyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
SMILES: C1CCN2[C@@H](CN(C1)S(=O)(=O)C3=CC=C(C=C3)F)[C@@H]([C@H]2CO)C4=CC=C(C=C4)C5=CN=CN=C5
Compound: 1-[[(3R,9R,10S)-16-[[anilino(oxo)methyl]amino]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-phenylurea
SMILES: C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)NC4=CC=CC=C4
Compound: N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-phenylacetamide
SMILES: C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)O[C@H]1CN(C)C(=O)NC4=CC=C(C=C4)C(F)(F)F)[C@H](C)CO
Compound: [(1R)-1'-ethylsulfonyl-2-[(2-fluorophenyl)methyl]-7-methoxy-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol
SMILES: CCS(=O)(=O)N1CC2(C1)CN([C@H](C3=C2C4=C(N3)C=C(C=C4)OC)CO)CC5=CC=CC=C5F
Compound: (1R,5S)-6-(2-pyridinylmethyl)-7-[4-(3-pyridinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane
SMILES: C1[C@@H]2C([C@@H](N2CC3=CC=CC=N3)CN1)C4=CC=C(C=C4)C5=CN=CC=C5
Compound: N-[[(2R,3S,4R)-4-(hydroxymethyl)-1-(1-oxo-2-pyridin-4-ylethyl)-3-phenyl-2-azetidinyl]methyl]cyclobutanecarboxamide
SMILES: C1CC(C1)C(=O)NC[C@H]2[C@@H]([C@@H](N2C(=O)CC3=CC=NC=C3)CO)C4=CC=CC=C4
Compound: (1S,2aR,8bR)-4-[cyclobutyl(oxo)methyl]-1-(hydroxymethyl)-N-propyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-2-carboxamide
SMILES: CCCNC(=O)N1[C@H]2CN(C3=CC=CC=C3[C@H]2[C@H]1CO)C(=O)C4CCC4
Compound: N'-(2-aminophenyl)-N-[(2R,3R)-5-[(2S)-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]heptanediamide
SMILES: C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CCCCCC(=O)NC3=CC=CC=C3N)O[C@H]1CN(C)CC4=CC=C(C=C4)C(F)(F)F)[C@@H](C)CO
Compound: 2-cyclopropyl-N-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(4-methylpent-1-ynyl)-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylacetamide
SMILES: C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C#CCC(C)C)O[C@@H]1CN(C)C(=O)CC3CC3)[C@@H](C)CO
Compound: [(1S)-7-methoxy-2-methylsulfonyl-1'-(4-oxanylmethyl)-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol
SMILES: COC1=CC2=C(C=C1)C3=C(N2)[C@H](N(CC34CN(C4)CC5CCOCC5)S(=O)(=O)C)CO
Compound: N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo(pyridin-4-yl)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide
SMILES: C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@H](C)CO)C)CN(C)C(=O)C4=CC=NC=C4
Compound: (6S,7S,8S)-7-[4-(2-cyclopropylethynyl)phenyl]-8-(hydroxymethyl)-4-(2-methoxy-1-oxoethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
SMILES: COCC(=O)N1C[C@@H]2[C@@H]([C@H](N2C(=O)C1)CO)C3=CC=C(C=C3)C#CC4CC4
Compound: N-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]methanesulfonamide
SMILES: C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NS(=O)(=O)C)O[C@H]1CN(C)CC3=CC(=C(C=C3)Cl)Cl)[C@H](C)CO
Compound: (1S)-N-(3,5-dimethyl-4-isoxazolyl)-1'-ethylsulfonyl-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]carboxamide
SMILES: CCS(=O)(=O)N1CCC2(CC1)CN([C@@H](C3=C2C4=C(N3C)C=C(C=C4)OC)CO)C(=O)NC5=C(ON=C5C)C
Compound: 1-[(1R)-2-[(2-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]ethanone
SMILES: CC(=O)N1CC2(C1)CN([C@H](C3=C2C4=C(N3)C=C(C=C4)OC)CO)CC5=CC=CC=C5Cl
Compound: [(8S,9R,10S)-9-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]-6-methyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
SMILES: CN1CCCCN2[C@H](C1)[C@H]([C@H]2CO)C3=CC=C(C=C3)C#CC4=CC=C(C=C4)OC
Compound: N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
SMILES: C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=NC=C3)O[C@@H]1CN(C)CC4=CC=C(C=C4)C5=CC=CC=C5)[C@@H](C)CO