MonarchInit/C3PO huggingface dataset:
Compound: N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-phenoxybenzenesulfonamide
SMILES: C[C@H]1CN[C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)N(C[C@@H]1OC)C)C
Compound: 2-[(1S,3S,4aR,9aS)-6-[[2-(dimethylamino)acetyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]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=CC=C4OC
Compound: N-[(2S,4aS,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]oxane-4-carboxamide
SMILES: CN1[C@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4CCOCC4)CC(=O)NCCC5=CC=NC=C5
Compound: N-[2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]ethyl]cyclobutanecarboxamide
SMILES: C1CC(C1)C(=O)NCC[C@@H]2CC[C@H]([C@@H](O2)CO)NC(=O)CN3CCOCC3
Compound: N-[(2R,4aR,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methoxybenzamide
SMILES: CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CC=C4OC)CC(=O)NCCC5=CC=NC=C5
Compound: 1-[(2R,3S)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
SMILES: C[C@@H](CN(CC1=CC=CC=C1Cl)[C@@H](C)CO)[C@H](CN(C)C(=O)NC2=CC=C(C=C2)C(F)(F)F)OC
Compound: N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide
SMILES: C1=CC=C(C=C1)C(=O)N[C@H]2C=C[C@H](O[C@H]2CO)CC(=O)NCC3=CC=C(C=C3)OC4=CC=CC=C4
Compound: (2S,3S,3aR,9bR)-N-benzyl-3-(hydroxymethyl)-1-(1,3-oxazol-4-ylmethyl)-6-oxo-7-pyridin-3-yl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
SMILES: C1[C@H]2[C@@H]([C@H](N([C@H]2C3=CC=C(C(=O)N31)C4=CN=CC=C4)CC5=COC=N5)C(=O)NCC6=CC=CC=C6)CO
Compound: 2-[(3S,6aR,8R,10aR)-1-[(4-chlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-phenylethyl)acetamide
SMILES: C1C[C@@H]2[C@H](COC[C@H](CN2CC3=CC=C(C=C3)Cl)O)O[C@H]1CC(=O)NCCC4=CC=CC=C4
Compound: N-[2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[(2-methoxyphenyl)sulfonylamino]oxan-2-yl]ethyl]oxane-4-carboxamide
SMILES: COC1=CC=CC=C1S(=O)(=O)N[C@H]2CC[C@H](O[C@H]2CO)CCNC(=O)C3CCOCC3
Compound: Turricolol E
SMILES: CC(C)=CCC\C(CO)=C\CC\C(C)=C\Cc1cc(O)ccc1O
Compound: LSM-9189
SMILES: C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C)[C@H](C)CO
Compound: N-[(2S,3R,6S)-6-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]oxane-4-carboxamide
SMILES: C1C[C@H]([C@H](O[C@@H]1CC(=O)NCC2=CC=CC=C2Cl)CO)NC(=O)C3CCOCC3
Compound: 2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(4-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
SMILES: COC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H](COC[C@H]3[C@H]2CC[C@H](O3)CC(=O)N[C@@H]4CCN(C4)CC5=CC=CC=C5)O
Compound: N-[(1S,3S,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-2-pyridin-4-ylacetamide
SMILES: C1CN(CC2=CC=CC=C21)C(=O)C[C@@H]3C[C@@H]4[C@H]([C@@H](O3)CO)OC5=C4C=C(C=C5)NC(=O)CC6=CC=NC=C6
Compound: N-[(4S,7R,8R)-5-(cyclohexylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2,2,2-trifluoroethanesulfonamide
SMILES: C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)CC(F)(F)F)C(=O)N(C[C@@H]1OC)C)C)CC3CCCCC3
Compound: N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]oxan-3-yl]-1,3-benzodioxole-5-carboxamide
SMILES: CN1CCN(CC1)C(=O)C[C@H]2CC[C@H]([C@H](O2)CO)NC(=O)C3=CC4=C(C=C3)OCO4
Compound: 2-[(2R,3R,6R)-3-[[2-(dimethylamino)acetyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILES: CN(C)CC(=O)N[C@@H]1C=C[C@H](O[C@H]1CO)CC(=O)NCC2=CC=CC=C2OC
Compound: N-[(5R,6R,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methylbenzenesulfonamide
SMILES: C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3C)C(=O)N(C[C@@H]1OC)C)C)C
Compound: N-[(2S,4aS,12aS)-2-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]thiophene-2-carboxamide
SMILES: CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CS4)CC(=O)NCC5=CC(=CC=C5)OC
Compound: N-[(2R,3R)-4-[(4-fluorophenyl)carbamoyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyloxane-4-carboxamide
SMILES: C[C@H](CN([C@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@H](CN(C)C(=O)C2CCOCC2)OC
Compound: Tussilagine
SMILES: COC(=O)[C@H]1[C@@H]2CCCN2C[C@@]1(C)O
Compound: 1-[2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(4-phenoxyphenyl)sulfonylamino]oxan-2-yl]ethyl]-3-propan-2-ylurea
SMILES: CC(C)NC(=O)NCC[C@H]1CC[C@H]([C@@H](O1)CO)NS(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3
Compound: 2-[(2R,4aS,12aS)-5-methyl-6-oxo-8-[(2-thiophen-2-ylacetyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-phenylphenyl)methyl]acetamide
SMILES: CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)CC4=CC=CS4)CC(=O)NCC5=CC=C(C=C5)C6=CC=CC=C6
Compound: 2-[(2S,4aR,12aR)-5-methyl-6-oxo-8-[(2-thiophen-2-ylacetyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-benzylpyrrolidin-3-yl]acetamide
SMILES: CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)CC4=CC=CS4)CC(=O)N[C@H]5CCN(C5)CC6=CC=CC=C6
Compound: LSM-9202
SMILES: CC(=O)N1[C@H]2CN3C(=O)C=CC=C3[C@@H]1[C@@H]([C@H]2CO)C(=O)NC4CCCC4
Compound: 2-fluoro-N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide
SMILES: C[C@H]1CN[C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3F)C(=O)N(C[C@H]1OC)C)C
Compound: LSM-9204
SMILES: C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@@H](CC4=CC=CC=C4)N(C)C)[C@@H](C)CO
Compound: N-[(2R,3S,6S)-6-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclobutanecarboxamide
SMILES: C1CC(C1)C(=O)N[C@H]2CC[C@H](O[C@H]2CO)CC(=O)NCC3CC3
Compound: N-[(2R,4aR,12aR)-5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide
SMILES: CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=C(C=C4)F)F)CC(=O)N5CCOCC5
Compound: 2-[(2R,3R,6R)-3-[(2-fluorobenzoyl)amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid
SMILES: C1=CC=C(C(=C1)C(=O)N[C@@H]2C=C[C@H](O[C@H]2CO)CC(=O)O)F
Compound: 2-[(1R,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide
SMILES: CN(C)C1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@@H]3CO)CC(=O)NCC4=CC=NC=C4
Compound: Tutin
SMILES: CC(=C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1(O)[C@H]3O[C@H]3[C@]3(CO3)[C@]1(C)[C@@H]2O
Compound: 2-[(1S,3S,4aS,9aR)-6-[(2-fluorophenyl)carbamoylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-cyclohexylacetamide
SMILES: C1CCC(CC1)NC(=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: LSM-9210
SMILES: C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4=CC5=C(C=C4)OCO5)[C@H](C)CO
Compound: LSM-9211
SMILES: C[C@H]1CN(C(=O)C2=CC=CC(=C2OCC[C@@H]3CC[C@@H]([C@@H](O3)CN(C1=O)C)OC)C#N)C
Compound: (2R,3R,3aS,9bS)-7-[4-(dimethylcarbamoyl)phenyl]-3-(hydroxymethyl)-N-(2-methoxyethyl)-6-oxo-1-propyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
SMILES: CCCN1[C@H]2[C@H](CN3C2=CC=C(C3=O)C4=CC=C(C=C4)C(=O)N(C)C)[C@H]([C@@H]1C(=O)NCCOC)CO
Compound: N-[(2S,4aR,12aS)-2-[2-(3-methoxyanilino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]oxane-4-carboxamide
SMILES: CN1[C@@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4CCOCC4)CC(=O)NC5=CC(=CC=C5)OC
Compound: LSM-9214
SMILES: C[C@@H]1[C@@H](CN(C(=O)C2=CC=CC(=C2OC[C@@H]3[C@H](CC[C@@H](O3)CCN(C1=O)C)OC)C#N)C)OC
Compound: 2-[(2R,4aR,12aR)-8-[(4-chlorobenzoyl)amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid
SMILES: CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=C(C=C4)Cl)CC(=O)O
Compound: 2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[4-(trifluoromethyl)phenyl]carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(pyridin-3-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=CN=CC=C5
Compound: N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
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)C5=CC6=C(C=C5)OCO6
Compound: 4-chloro-N-[(2R,3R)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide
SMILES: C[C@H](CN(CC1=CC=CC=C1Cl)[C@H](C)CO)[C@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)Cl)OC
Compound: (2R,3R,3aS,9bS)-7-(2-fluorophenyl)-3-(hydroxymethyl)-2-(4-methylpiperazine-1-carbonyl)-1-propyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one
SMILES: CCCN1[C@H]2[C@H](CN3C2=CC=C(C3=O)C4=CC=CC=C4F)[C@H]([C@@H]1C(=O)N5CCN(CC5)C)CO
Compound: 2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(pyridin-2-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=CC=CC=N5
Compound: N-[2-[(2S,5S,6R)-5-(benzylsulfonylamino)-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclobutanecarboxamide
SMILES: C1CC(C1)C(=O)NCC[C@@H]2CC[C@@H]([C@@H](O2)CO)NS(=O)(=O)CC3=CC=CC=C3
Compound: N-[(2R,4aS,12aS)-5-methyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]oxane-4-carboxamide
SMILES: CN1CCN(CC1)C(=O)C[C@H]2CC[C@H]3[C@H](O2)COC4=C(C=C(C=C4)NC(=O)C5CCOCC5)C(=O)N3C
Compound: LSM-9223
SMILES: CN1CCN(CC1)C(=O)[C@H]2[C@@H]([C@H]3CN4C(=CC=C(C4=O)C=CC5=CC=CC=C5)[C@H]3N2CC6CC6)CO
Compound: (2S,3S,3aR,9bR)-7-(4-fluorophenyl)-3-(hydroxymethyl)-1-methyl-6-oxo-N-phenyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
SMILES: CN1[C@@H]2[C@@H](CN3C2=CC=C(C3=O)C4=CC=C(C=C4)F)[C@@H]([C@H]1C(=O)NC5=CC=CC=C5)CO
Compound: N-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]ethyl]cyclobutanecarboxamide
SMILES: C1CC(C1)C(=O)NCC[C@H]2CC[C@@H]([C@H](O2)CO)NC(=O)CN3CCOCC3
Compound: (3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(3-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-(2-pyrrolidin-1-ylethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
SMILES: CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC=CC(=C4)C#N)C(=O)NCCN5CCCC5
Compound: N-[2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]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)-6-(hydroxymethyl)-5-[(2-methylphenyl)sulfonylamino]oxan-2-yl]ethyl]-2-methylbenzenesulfonamide
SMILES: CC1=CC=CC=C1S(=O)(=O)NCC[C@H]2CC[C@@H]([C@@H](O2)CO)NS(=O)(=O)C3=CC=CC=C3C
Compound: N-[(5S,6S,9R)-8-[(3-fluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxyacetamide
SMILES: C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)CC3=CC(=CC=C3)F
Compound: N-[(2R,3S)-4-[[(2R)-1-hydroxypropan-2-yl]-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]-2-methoxy-3-methylbutyl]-N-methyloxane-4-carboxamide
SMILES: C[C@@H](CN([C@H](C)CO)C(=O)NC1=CC=C(C=C1)C(F)(F)F)[C@H](CN(C)C(=O)C2CCOCC2)OC
Compound: LSM-9231
SMILES: C1CCN(CC1)C(=O)[C@@H]2[C@H]([C@@H]3CN4C(=O)C=CC=C4[C@H]2N3C(=O)C5=CC=CC=N5)CO
Compound: N-[(5R,6R,9R)-8-(cyclopropylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxyacetamide
SMILES: C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C)CC3CC3
Compound: N-[(2S,3S,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)oxan-3-yl]-2-fluorobenzamide
SMILES: C1C[C@@H]([C@H](O[C@H]1CCN)CO)NC(=O)C2=CC=CC=C2F
Compound: 2-[(3S,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide
SMILES: C1C[C@@H]2[C@H](COC[C@H](CN2)O)O[C@@H]1CC(=O)NC3CC4=CC=CC=C4C3
Compound: N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-5-(2-morpholin-4-ylacetyl)-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide
SMILES: C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CC3)C(=O)N(C[C@H]1OC)C)C)C(=O)CN4CCOCC4
Compound: methyl 2-[(2R,4aR,12aS)-8-[(2-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetate
SMILES: CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4Cl)CC(=O)OC
Compound: N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-(4-propan-2-yltriazol-1-yl)ethyl]oxan-3-yl]cyclopropanecarboxamide
SMILES: CC(C)C1=CN(N=N1)CC[C@@H]2CC[C@@H]([C@@H](O2)CO)NC(=O)C3CC3
Compound: LSM-9238
SMILES: C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CSC=C4)C5=CC=CC=C5N2C)[C@H](C)CO
Compound: Tylophorine
SMILES: COc1cc2c3C[C@@H]4CCCN4Cc3c3cc(OC)c(OC)cc3c2cc1OC
Compound: 2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxyacetyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(pyridin-3-ylmethyl)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=CN=CC=C4
Compound: N-[(2R,3R,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)oxan-3-yl]-3-methoxybenzenesulfonamide
SMILES: COC1=CC(=CC=C1)S(=O)(=O)N[C@@H]2CC[C@@H](O[C@H]2CO)CCN
Compound: N-[(2S,3R,6S)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyran-3-yl]-2-methoxyacetamide
SMILES: COCC(=O)N[C@@H]1C=C[C@@H](O[C@@H]1CO)CC(=O)N2CCCCC2
Compound: (2R,3R,3aS,9bS)-N-benzyl-3-(hydroxymethyl)-1-(2-methoxyacetyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
SMILES: COCC(=O)N1[C@H]2[C@H](CN3C2=CC=CC3=O)[C@H]([C@@H]1C(=O)NCC4=CC=CC=C4)CO
Compound: 2-[(1R,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-cyclohexylacetamide
SMILES: C1CCC(CC1)NC(=O)C[C@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)F
Compound: 2-[(1S,3S,4aR,9aS)-6-[(4-fluorophenyl)carbamoylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N,N-dimethylacetamide
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)NC4=CC=C(C=C4)F
Compound: LSM-9245
SMILES: C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)CC4=CC(=CC=C4)OC)[C@@H](C)CO
Compound: N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(pyridin-4-ylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide
SMILES: C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3CC3)C(=O)N(C[C@H]1OC)C)C)CC4=CC=NC=C4
Compound: N-[(2S,3S,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)oxan-3-yl]-3-methoxybenzenesulfonamide
SMILES: COC1=CC(=CC=C1)S(=O)(=O)N[C@H]2CC[C@H](O[C@@H]2CO)CCN
Compound: (3S,6aR,8S,10aR)-8-[2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-3-hydroxy-N-propyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
SMILES: CCCNC(=O)N1C[C@@H](COC[C@H]2[C@H]1CC[C@H](O2)CC(=O)N[C@H]3CCN(C3)CC4=CC=CC=C4)O
Compound: N-[(4S,7R,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
SMILES: C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C)C(=O)N(C[C@@H]1OC)C)C)C
Compound: 1-[(4S,7S,8R)-5-benzyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea
SMILES: C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@@H]1OC)C)C)CC3=CC=CC=C3
Compound: (2S,3S,3aR,9bR)-3-(hydroxymethyl)-1-methylsulfonyl-6-oxo-N-[(1R)-1-phenylethyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)[C@@H]2[C@H]([C@@H]3CN4C(=O)C=CC=C4[C@@H]3N2S(=O)(=O)C)CO
Compound: 2-[(2S,4aR,12aS)-8-[(3-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-piperidin-1-ylethyl)acetamide
SMILES: CN1[C@@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)F)CC(=O)NCCN5CCCCC5
Compound: 2-[(1S,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]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)NS(=O)(=O)C5=CC=C(C=C5)F
Compound: 2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[(3-pyridin-4-ylphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-morpholin-4-ylethanone
SMILES: C1C[C@@H]2[C@H](COC[C@@H](CN2CC3=CC=CC(=C3)C4=CC=NC=C4)O)O[C@@H]1CC(=O)N5CCOCC5
Compound: 2-[(1R,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(2-piperidin-1-ylethyl)acetamide
SMILES: CN(C)C1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCCN4CCCCC4
Compound: (2S,3S,4R)-1-benzylsulfonyl-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile
SMILES: C1=CC=C(C=C1)CS(=O)(=O)N2[C@H]([C@H]([C@H]2C#N)C3=CC=CC=C3)CO
Compound: N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-[(2-pyridin-4-ylacetyl)amino]ethyl]oxan-3-yl]cyclobutanecarboxamide
SMILES: C1CC(C1)C(=O)N[C@@H]2CC[C@@H](O[C@H]2CO)CCNC(=O)CC3=CC=NC=C3
Compound: N-[(5S,6S,9R)-8-(4-fluorobenzoyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide
SMILES: CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@H](CN([C@@H](CO2)C)C(=O)C3=CC=C(C=C3)F)C)OC)C
Compound: 1-[(4S,7R,8R)-5-(cyclobutanecarbonyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea
SMILES: C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)C3CCC3
Compound: 2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(2-phenylacetyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide
SMILES: C1C[C@@H]2[C@H](COC[C@H](CN2C(=O)CC3=CC=CC=C3)O)O[C@@H]1CC(=O)NC4CC5=CC=CC=C5C4
Compound: (5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-N-propyl-14-(2,2,2-trifluoroethylsulfonylamino)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide
SMILES: CCCNC(=O)N1C[C@@H]([C@@H](CN(C(=O)C2=C(C=C(C=C2)NS(=O)(=O)CC(F)(F)F)OC[C@H]1C)C)OC)C
Compound: methyl 2-[(2S,3R,6S)-2-(hydroxymethyl)-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]-3,6-dihydro-2H-pyran-6-yl]acetate
SMILES: COC(=O)C[C@H]1C=C[C@H]([C@H](O1)CO)NC(=O)NC2=CC=C(C=C2)C(F)(F)F
Compound: 2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(2-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-methylpiperazin-1-yl)ethanone
SMILES: CC1=CC=CC=C1S(=O)(=O)N2C[C@@H](COC[C@H]3[C@H]2CC[C@H](O3)CC(=O)N4CCN(CC4)C)O
Compound: N-[(2S,4aS,12aR)-5-methyl-2-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-methoxybenzamide
SMILES: CN1[C@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=CC=C4)OC)CC(=O)NCCCN5CCOCC5
Compound: (4R,7S,8R)-14-(cyclopropanecarbonylamino)-8-methoxy-4,7,10-trimethyl-11-oxo-N-propan-2-yl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide
SMILES: C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CC3)C(=O)N(C[C@@H]1OC)C)C)C(=O)NC(C)C
Compound: N-[(2R,3R,6S)-6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]pyrazine-2-carboxamide
SMILES: C1CN(CCC1CC2=CC=CC=C2)C(=O)C[C@H]3C=C[C@H]([C@@H](O3)CO)NC(=O)C4=NC=CN=C4
Compound: LSM-9267
SMILES: C1[C@@H]2[C@H]([C@@H]([C@@H](N2C(=O)C3=CN=CC=C3)C4=CC=C(C(=O)N41)C5=CC=CC=C5F)C(=O)O)CO
Compound: 2-[(3S,6aS,8R,10aS)-1-[(3,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILES: C1C[C@H]2[C@@H](COC[C@H](CN2CC3=CC(=CC(=C3)F)F)O)O[C@H]1CC(=O)NC4=NC=CS4
Compound: 2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(2,5-difluorophenyl)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=C(C=CC(=C4)F)F
Compound: LSM-9270
SMILES: CCN1[C@H]2CN3C(=CC=C(C3=O)C4=CCCCC4)[C@@H]1[C@@H]([C@H]2CO)C(=O)NCCOC
Compound: (2R,3S,4S)-4-(hydroxymethyl)-3-[4-[2-(3-methoxyphenyl)ethynyl]phenyl]-1-(pyridine-2-carbonyl)azetidine-2-carbonitrile
SMILES: COC1=CC=CC(=C1)C#CC2=CC=C(C=C2)[C@@H]3[C@H](N([C@H]3C#N)C(=O)C4=CC=CC=N4)CO
Compound: N-[(2S,4aS,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-methoxybenzamide
SMILES: CN1[C@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=CC=C4)OC)CC(=O)NCC(F)(F)F
Compound: 2-[(3S,6aR,8R,10aR)-3-hydroxy-1-[(3-pyridin-4-ylphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILES: COC1=CC=CC=C1CNC(=O)C[C@H]2CC[C@@H]3[C@@H](O2)COC[C@H](CN3CC4=CC=CC(=C4)C5=CC=NC=C5)O
Compound: (3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(3-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
SMILES: CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)F)C(=O)NCC(F)(F)F
Compound: LSM-9275
SMILES: CCC1=CSC(=N1)N2[C@@H]([C@H]([C@@H]2C#N)C3=CC=C(C=C3)C=CC)CO
Compound: N-[(2R,4aS,12aS)-2-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]cyclohexanecarboxamide
SMILES: CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4CCCCC4)CC(=O)NCC5=CC=CC=C5F
Compound: N-[(2S,3R)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-4-fluoro-N-methylbenzenesulfonamide
SMILES: C[C@H](CN(CC1=CC=CC=C1Cl)[C@H](C)CO)[C@@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)F)OC
Compound: 2-[(2S,4aS,12aS)-5-methyl-6-oxo-8-[(2-thiophen-2-ylacetyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
SMILES: CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)CC4=CC=CS4)CC(=O)N[C@@H]5CCN(C5)CC6=CC=CC=C6
Compound: LSM-9279
SMILES: C1COCCN1C(=O)[C@H]2[C@@H]([C@H]3CN4C(=O)C=CC=C4[C@@H]2N3S(=O)(=O)C5=CC=CC=C5F)CO
Compound: N-[(4R,7S,8S)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-methylimidazole-4-sulfonamide
SMILES: C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CN(C=N3)C)C(=O)N(C[C@H]1OC)C)C)CC4CC4
Compound: N-cyclobutyl-2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[(4-methoxyphenyl)carbamoylamino]oxan-2-yl]acetamide
SMILES: COC1=CC=C(C=C1)NC(=O)N[C@H]2CC[C@H](O[C@@H]2CO)CC(=O)NC3CCC3
Compound: N-[(2R,3S,6S)-2-(hydroxymethyl)-6-(2-morpholin-4-yl-2-oxoethyl)oxan-3-yl]pyridine-2-carboxamide
SMILES: C1C[C@@H]([C@@H](O[C@@H]1CC(=O)N2CCOCC2)CO)NC(=O)C3=CC=CC=N3
Compound: 2-[(3S,6aS,8R,10aS)-1-(1,3-benzodioxole-5-carbonyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-cyclopentylacetamide
SMILES: C1CCC(C1)NC(=O)C[C@H]2CC[C@H]3[C@H](O2)COC[C@H](CN3C(=O)C4=CC5=C(C=C4)OCO5)O
Compound: 2-methoxy-N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridin-3-ylacetyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
SMILES: C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C)C(=O)CC3=CN=CC=C3
Compound: 2-[(2S,4aS,12aR)-8-(ethylcarbamoylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1R)-1-phenylethyl]acetamide
SMILES: CCNC(=O)NC1=CC2=C(C=C1)OC[C@H]3[C@H](CC[C@H](O3)CC(=O)N[C@H](C)C4=CC=CC=C4)N(C2=O)C
Compound: LSM-9286
SMILES: C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)C4=CC=NC=C4)C5=CC=CC=C5N2C)[C@H](C)CO
Compound: (5S,6R,9R)-5-methoxy-N-(2-methoxyphenyl)-3,6,9-trimethyl-2-oxo-14-(pyrazine-2-carbonylamino)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide
SMILES: C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=NC=CN=C3)C(=O)N(C[C@H]1OC)C)C)C(=O)NC4=CC=CC=C4OC
Compound: 2-[(1R,3S,4aR,9aS)-6-[(2-fluorophenyl)carbamoylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-cyclohexylacetamide
SMILES: C1CCC(CC1)NC(=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: N-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(pyridine-3-carbonyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
SMILES: CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@H](CN([C@@H](CO2)C)C(=O)C3=CN=CC=C3)C)OC)C
Compound: N-[2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[(3-methylphenyl)sulfonylamino]oxan-2-yl]ethyl]pyrazine-2-carboxamide
SMILES: CC1=CC(=CC=C1)S(=O)(=O)N[C@H]2CC[C@H](O[C@@H]2CO)CCNC(=O)C3=NC=CN=C3
Compound: 2-[(3S,6aS,8R,10aS)-3-hydroxy-1-(3-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
SMILES: CC1=CC(=CC=C1)S(=O)(=O)N2C[C@@H](COC[C@@H]3[C@@H]2CC[C@@H](O3)CC(=O)NC4=CC=C(C=C4)C5=CC=CC=C5)O
Compound: LSM-9292
SMILES: CCNC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CC=C(C=C4)OC)[C@@H]1N2CC5CC5)CO
Compound: LSM-9293
SMILES: COC(=O)[C@H]1[C@@H]([C@H]2CN3C(=O)C=CC=C3[C@@H]1N2C(=O)C4CC4)CO
Compound: 2-[(2S,4aR,12aS)-5-methyl-6-oxo-8-[(2-thiophen-2-ylacetyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILES: CN1[C@@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)CC4=CC=CS4)CC(=O)NCCCN5CCOCC5
Compound: LSM-9295
SMILES: CCCNC(=O)N1[C@H]2CN3C(=CC=C(C3=O)C4=CC(=CC=C4)OC)[C@@H]1[C@@H]([C@H]2CO)C(=O)NC5CCC5
Compound: N-[(2S,4aR,12aS)-2-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide
SMILES: CN1[C@@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=C(C=C4)F)F)CC(=O)N[C@@H]5CCN(C5)CC6=CC=CC=C6
Compound: 4-methoxy-N-[(5S,6S,9S)-5-methoxy-8-(2-methoxyacetyl)-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide
SMILES: C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)OC)C(=O)N(C[C@H]1OC)C)C)C(=O)COC
Compound: 2-[(3R,6aS,8S,10aS)-1-(2-fluorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-methoxyethyl)acetamide
SMILES: COCCNC(=O)C[C@@H]1CC[C@H]2[C@H](O1)COC[C@@H](CN2S(=O)(=O)C3=CC=CC=C3F)O
Compound: 2-[(3R,6aR,8S,10aR)-1-(benzenesulfonyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-piperidin-1-ylethyl)acetamide
SMILES: C1CCN(CC1)CCNC(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC[C@@H](CN3S(=O)(=O)C4=CC=CC=C4)O
Compound: N-[(2S,3S,6S)-6-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]pyridine-2-carboxamide
SMILES: C1=CC=NC(=C1)C(=O)N[C@H]2C=C[C@@H](O[C@@H]2CO)CC(=O)NCC3=CC(=CC(=C3)F)F
Compound: N-[(2R,4aS,12aR)-2-[2-(dimethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-fluorobenzamide
SMILES: CN1[C@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=C(C=C4)F)CC(=O)N(C)C
Compound: 2-[(2S,4aS,12aR)-8-(cyclopentylcarbamoylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(cyclopropylmethyl)acetamide
SMILES: CN1[C@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4CCCC4)CC(=O)NCC5CC5
Compound: LSM-9303
SMILES: C1CCN(CC1)C(=O)[C@@H]2[C@H]([C@@H]3CN4C(=CC=C(C4=O)C=CC5=CC=CC=C5)[C@@H]3N2)CO
Compound: N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-phenylethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]pyrazine-2-carboxamide
SMILES: C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=NC=CN=C3)C(=O)N(C[C@H]1OC)C)C)CCC4=CC=CC=C4
Compound: N-[(2S,3S,6S)-6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]pyrazine-2-carboxamide
SMILES: C1CN(CCC1CC2=CC=CC=C2)C(=O)C[C@H]3C=C[C@@H]([C@H](O3)CO)NC(=O)C4=NC=CN=C4
Compound: N-[(2S,3R)-4-[(4-fluorophenyl)carbamoyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyloxane-4-carboxamide
SMILES: C[C@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@@H](CN(C)C(=O)C2CCOCC2)OC
Compound: N-[(2S,4aR,12aS)-5-methyl-6-oxo-2-(2-oxo-2-piperidin-1-ylethyl)-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]thiophene-2-carboxamide
SMILES: CN1[C@@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CS4)CC(=O)N5CCCCC5
Compound: LSM-9308
SMILES: C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CSC=C4)[C@H](C)CO
Compound: N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILES: C[C@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)C3=NOC(=C3)C)C(=O)N(C[C@H]1OC)C)C
Compound: N-[(1R,3R,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][1]benzofuran-6-yl]oxane-4-carboxamide
SMILES: C1COCCC1C(=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: [(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(2-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-morpholin-4-ylmethanone
SMILES: CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=CC=C4F)C(=O)N5CCOCC5
Compound: 3-fluoro-N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridin-3-ylacetyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide
SMILES: C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)F)C(=O)N(C[C@@H]1OC)C)C)C(=O)CC4=CN=CC=C4
Compound: 2-[(1R,3S,4aR,9aS)-6-(cyclohexylcarbamoylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]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)NC5CCCCC5
Compound: (2S,3S,3aR,9bR)-7-(cyclohexen-1-yl)-N-(cyclopropylmethyl)-3-(hydroxymethyl)-6-oxo-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizine-2-carboxamide
SMILES: C1CCC(=CC1)C2=CC=C3[C@H]4[C@@H](CN3C2=O)[C@@H]([C@H](N4)C(=O)NCC5CC5)CO
Compound: 2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(2-pyridin-4-ylacetyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(2-piperidin-1-ylethyl)acetamide
SMILES: C1CCN(CC1)CCNC(=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: 2-[(1S,3S,4aR,9aS)-6-(cyclopentylcarbamoylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]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)NCC5=CC=CC=C5F
Compound: N-[2-[(2R,5S,6R)-5-(benzylsulfonylamino)-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclobutanecarboxamide
SMILES: C1CC(C1)C(=O)NCC[C@H]2CC[C@@H]([C@@H](O2)CO)NS(=O)(=O)CC3=CC=CC=C3
Compound: LSM-9318
SMILES: C1CC1CC(=O)N2[C@H]3CN4C(=O)C=CC=C4[C@@H]2[C@@H]([C@H]3CO)C(=O)NC5CC6=CC=CC=C6C5
Compound: 2-[(2S,5R,6R)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]-N-[(1S)-1-phenylethyl]acetamide
SMILES: C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2CC[C@H]([C@@H](O2)CO)NS(=O)(=O)C3=CC=CC(=C3)F
Compound: 2-[(3R,6aR,8S,10aR)-3-hydroxy-1-(1,3-thiazol-2-ylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(2-chlorophenyl)methyl]acetamide
SMILES: C1C[C@@H]2[C@H](COC[C@@H](CN2CC3=NC=CS3)O)O[C@@H]1CC(=O)NCC4=CC=CC=C4Cl
Compound: N-[(2S,3S,6R)-6-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]-2-cyclopropylacetamide
SMILES: C1C[C@@H]([C@H](O[C@H]1CC(=O)NCC2=CC=C(C=C2)Cl)CO)NC(=O)CC3CC3
Compound: 2-[(3S,6aS,8S,10aS)-3-hydroxy-1-(pyridine-4-carbonyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N,N-dimethylacetamide
SMILES: CN(C)C(=O)C[C@@H]1CC[C@H]2[C@H](O1)COC[C@H](CN2C(=O)C3=CC=NC=C3)O
Compound: 2-[(2R,4aS,12aR)-8-(methanesulfonamido)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-cyclohexylacetamide
SMILES: CN1[C@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C)CC(=O)NC4CCCCC4
Compound: 2-[(3R,6aS,8S,10aS)-3-hydroxy-1-[(3-pyridin-4-ylphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-morpholin-4-ylethanone
SMILES: C1C[C@H]2[C@@H](COC[C@@H](CN2CC3=CC=CC(=C3)C4=CC=NC=C4)O)O[C@@H]1CC(=O)N5CCOCC5
Compound: N-[(2R,3R,6R)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]oxane-4-carboxamide
SMILES: CN(C)C(=O)C[C@H]1CC[C@H]([C@@H](O1)CO)NC(=O)C2CCOCC2
Compound: N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(1,3-thiazol-2-ylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]oxane-4-carboxamide
SMILES: C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@@H]1OC)C)C)CC4=NC=CS4
Compound: N-[(2S,4aR,12aR)-2-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide
SMILES: CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=C(C=C4)F)F)CC(=O)N[C@@H]5CCN(C5)CC6=CC=CC=C6
Compound: (2R,3R,4R)-3-[4-(cyclohexen-1-yl)phenyl]-4-(hydroxymethyl)azetidine-2-carbonitrile
SMILES: C1CCC(=CC1)C2=CC=C(C=C2)[C@H]3[C@@H](N[C@H]3C#N)CO
Compound: N-[(2R,3S,6R)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide
SMILES: C1CC1C(=O)N[C@H]2C=C[C@H](O[C@H]2CO)CC(=O)N3CCC4=CC=CC=C4C3
Compound: methyl (2R,3R,3aS,9bS)-7-(cyclopenten-1-yl)-3-(hydroxymethyl)-6-oxo-1-(2-pyridin-3-ylacetyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylate
SMILES: COC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CCCC4)[C@H]2N1C(=O)CC5=CN=CC=C5)CO
Compound: 3,3,3-trifluoro-N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-8-(1-methylimidazol-4-yl)sulfonyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide
SMILES: C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)CC(F)(F)F)C(=O)N(C[C@@H]1OC)C)C)S(=O)(=O)C3=CN(C=N3)C
Compound: 2-[(2R,4aR,12aS)-8-[(2-fluorophenyl)carbamoylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide
SMILES: CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC=CC=C4F)CC(=O)NCCC5=CC=NC=C5
Compound: (2S,3S,4S)-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-1-(pyridine-3-carbonyl)azetidine-2-carbonitrile
SMILES: C1=CC=C(C(=C1)C#CC2=CC=C(C=C2)[C@@H]3[C@H](N([C@@H]3C#N)C(=O)C4=CN=CC=C4)CO)F
Compound: 2-cyclopropyl-N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-[(4-methylphenyl)sulfonylamino]ethyl]oxan-3-yl]acetamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NCC[C@H]2CC[C@H]([C@@H](O2)CO)NC(=O)CC3CC3
Compound: 2-[(2R,5R,6R)-5-(cyclohexylcarbamoylamino)-6-(hydroxymethyl)oxan-2-yl]-N-(2-methoxyethyl)acetamide
SMILES: COCCNC(=O)C[C@H]1CC[C@H]([C@@H](O1)CO)NC(=O)NC2CCCCC2
Compound: N-[(4S,7S,8S)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-methylimidazole-4-sulfonamide
SMILES: C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CN(C=N3)C)C(=O)N(C[C@H]1OC)C)C)CC4CC4
Compound: N-[(5S,6S,9S)-8-(cyclohexylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
SMILES: C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C)C(=O)N(C[C@H]1OC)C)C)CC3CCCCC3
Compound: N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]oxan-3-yl]-3-piperidin-1-ylpropanamide
SMILES: C1CCN(CC1)CCC(=O)N[C@H]2CC[C@@H](O[C@H]2CO)CC(=O)NC3=NC=CS3
Compound: N-[(2R,4aR,12aR)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methoxyacetamide
SMILES: CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)COC)CC(=O)N4CCC5=CC=CC=C5C4
Compound: 1-[(2S,3S)-4-[(3-chlorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-3-(2-fluorophenyl)-1-[(2R)-1-hydroxypropan-2-yl]urea
SMILES: C[C@@H](CN([C@H](C)CO)C(=O)NC1=CC=CC=C1F)[C@@H](CN(C)S(=O)(=O)C2=CC(=CC=C2)Cl)OC
Compound: LSM-9341
SMILES: C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)CC4=CC=CC(=C4)C(=O)O)C5=CC=CC=C5N2C)[C@@H](C)CO
Compound: 2-[(3S,6aS,8R,10aS)-1-(2-fluorobenzoyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-methylpiperazin-1-yl)ethanone
SMILES: CN1CCN(CC1)C(=O)C[C@H]2CC[C@H]3[C@H](O2)COC[C@H](CN3C(=O)C4=CC=CC=C4F)O
Compound: (2R,3R,3aS,9bS)-3-(hydroxymethyl)-2-(morpholine-4-carbonyl)-7-pyridin-3-yl-1-(3,3,3-trifluoropropyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one
SMILES: C1COCCN1C(=O)[C@H]2[C@@H]([C@H]3CN4C(=CC=C(C4=O)C5=CN=CC=C5)[C@H]3N2CCC(F)(F)F)CO
Compound: 2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[4-(trifluoromethyl)phenyl]carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]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=C(C=C4)C(F)(F)F)CO)CC(=O)O
Compound: 2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxyacetyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]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)COC
Compound: 2-[(3S,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILES: C1C[C@@H]2[C@H](COC[C@H](CN2)O)O[C@@H]1CC(=O)NC3=NC=CS3
Compound: LSM-9347
SMILES: C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)CC(F)(F)F)[C@H](C)CO
Compound: 2-[(3S,6aS,8S,10aS)-3-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-pyridin-4-ylethyl)acetamide
SMILES: C1C[C@H]2[C@@H](COC[C@H](CN2CC3=CC(=CC=C3)C(F)(F)F)O)O[C@@H]1CC(=O)NCCC4=CC=NC=C4
Compound: (2R,3R,3aS,9bS)-3-(hydroxymethyl)-6-oxo-N-(2-piperidin-1-ylethyl)-1-(pyridin-2-ylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
SMILES: C1CCN(CC1)CCNC(=O)[C@H]2[C@@H]([C@H]3CN4C(=O)C=CC=C4[C@H]3N2CC5=CC=CC=N5)CO
Compound: 2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[4-(trifluoromethyl)phenyl]carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]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=C(C=C5)C(F)(F)F
Compound: 1-[(2R,3R)-4-[benzenesulfonyl(methyl)amino]-3-methoxy-2-methylbutyl]-3-(2-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]urea
SMILES: C[C@H](CN([C@@H](C)CO)C(=O)NC1=CC=CC=C1F)[C@H](CN(C)S(=O)(=O)C2=CC=CC=C2)OC
Compound: LSM-9352
SMILES: CN(C)C(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C4=CC(=CC=C4)F)[C@H]1N2CC5=CC=CC=C5)CO
Compound: (3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(4-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[(3-methoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
SMILES: CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)C#N)C(=O)NCC5=CC(=CC=C5)OC
Compound: (2R,3R,3aS,9bS)-3-(hydroxymethyl)-7-(2-methoxyphenyl)-6-oxo-1-propyl-N-(1,3-thiazol-2-yl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
SMILES: CCCN1[C@H]2[C@H](CN3C2=CC=C(C3=O)C4=CC=CC=C4OC)[C@H]([C@@H]1C(=O)NC5=NC=CS5)CO
Compound: LSM-9355
SMILES: C1CCC(CC1)CN2[C@H]3CN4C(=CC=C(C4=O)C5=CC=C(C=C5)F)[C@@H]2[C@@H]([C@H]3CO)C(=O)O
Compound: 2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-cyclohexylacetamide
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)NC5CCCCC5
Compound: 2-[(2R,3S,6R)-3-(1,3-benzodioxol-5-ylcarbamoylamino)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1S)-1-phenylethyl]acetamide
SMILES: C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C=C[C@@H]([C@@H](O2)CO)NC(=O)NC3=CC4=C(C=C3)OCO4
Compound: N-[(2R,4aS,12aR)-2-[2-(3-methoxyanilino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]oxane-4-carboxamide
SMILES: CN1[C@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4CCOCC4)CC(=O)NC5=CC(=CC=C5)OC
Compound: ethyl L-tyrosinate
SMILES: C=1(C[C@@H](C(OCC)=O)N)C=CC(O)=CC1
Compound: LSM-9359
SMILES: C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@H]4CCCN4C)[C@@H](C)CO
Compound: 2-[(3R,6aS,8S,10aS)-3-hydroxy-1-(pyrazine-2-carbonyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILES: C1C[C@H]2[C@@H](COC[C@@H](CN2C(=O)C3=NC=CN=C3)O)O[C@@H]1CC(=O)NCC4=CC=C(C=C4)F
Compound: N-[(2R,3R)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N,4-dimethylbenzenesulfonamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(C)C[C@@H]([C@H](C)CN(CC2=CC=CC=C2Cl)[C@@H](C)CO)OC
Compound: (2S,3S,4S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile
SMILES: CC1=C(SC(=N1)N2[C@@H]([C@H]([C@H]2C#N)C3=CC=CC=C3)CO)C
Compound: 3-methoxy-N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-phenylethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide
SMILES: C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)OC)C(=O)N(C[C@H]1OC)C)C)CCC4=CC=CC=C4
Compound: 2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)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)NCC(F)(F)F
Compound: LSM-9365
SMILES: C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)C4CC4)[C@H](C)CO
Compound: LSM-9366
SMILES: CN(C)CCCNC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CC=CC=C4)[C@@H]1N2C(=O)CC5CC5)CO
Compound: 1-(2-fluorophenyl)-3-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
SMILES: CCCN1C[C@H]([C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=CC=C3F)OC[C@@H]1C)C)OC)C
Compound: N-[(2S,4aS,12aS)-5-methyl-2-[2-(methylamino)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,5-difluorobenzamide
SMILES: CNC(=O)C[C@@H]1CC[C@H]2[C@H](O1)COC3=C(C=C(C=C3)NC(=O)C4=CC(=CC(=C4)F)F)C(=O)N2C
Compound: 2-fluoro-N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-5-(oxan-4-ylmethyl)-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide
SMILES: C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)C(=O)N(C[C@@H]1OC)C)C)CC4CCOCC4
Compound: N-[(2S,4aR,12aS)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-fluorobenzenesulfonamide
SMILES: CN1[C@@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)F)CC(=O)N5CCC6=CC=CC=C6C5
Compound: N-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-propanoyl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide
SMILES: CCC(=O)N1C[C@@H]([C@@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3)OC[C@H]1C)C)OC)C
Compound: N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(4-methoxyphenyl)triazol-1-yl]ethyl]oxan-3-yl]-3-piperidin-1-ylpropanamide
SMILES: COC1=CC=C(C=C1)C2=CN(N=N2)CC[C@H]3CC[C@@H]([C@H](O3)CO)NC(=O)CCN4CCCCC4
Compound: 2-[(3S,6aR,8R,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
SMILES: C1C[C@@H]2[C@H](COC[C@H](CN2)O)O[C@H]1CC(=O)NC3=CC=C(C=C3)C4=CC=CC=C4
Compound: N-[(1S,3S,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
SMILES: C1CN(CC2=CC=CC=C21)C(=O)C[C@@H]3C[C@@H]4[C@H]([C@@H](O3)CO)OC5=C4C=C(C=C5)NC(=O)C6=CC7=C(C=C6)OCO7
Compound: 2-[(3S,6aR,8R,10aR)-3-hydroxy-1-(3-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-phenylpiperazin-1-yl)ethanone
SMILES: COC1=CC(=CC=C1)S(=O)(=O)N2C[C@@H](COC[C@H]3[C@H]2CC[C@@H](O3)CC(=O)N4CCN(CC4)C5=CC=CC=C5)O
Compound: 2-[(3R,6aS,8R,10aS)-1-(cyclopentanecarbonyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N,N-dimethylacetamide
SMILES: CN(C)C(=O)C[C@H]1CC[C@H]2[C@H](O1)COC[C@@H](CN2C(=O)C3CCCC3)O
Compound: 1-[(2S,3R)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
SMILES: C[C@H](CN(CC1=CC=CC=C1Cl)[C@H](C)CO)[C@@H](CN(C)C(=O)NC2=CC=C(C=C2)C(F)(F)F)OC
Compound: N-[(2S,3R,6R)-6-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]-2-cyclopropylacetamide
SMILES: C1C[C@H]([C@H](O[C@H]1CC(=O)NCC2=CC=C(C=C2)Cl)CO)NC(=O)CC3CC3
Compound: (S)-linalool
SMILES: CC(C)=CCC[C@](C)(O)C=C
Compound: LSM-9379
SMILES: C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)CC4=CC=CC=C4)C5=CC=CC=C5N2C)[C@H](C)CO
Compound: LSM-9380
SMILES: CS(=O)(=O)N1[C@@H]2CN3C(=O)C=CC=C3[C@H]1[C@H]([C@@H]2CO)C(=O)NCC4=CC=CC=C4
Compound: LSM-9381
SMILES: C[C@H]1[C@@H](CN(C(=O)C2=CC=CC(=C2OC[C@H]3[C@H](CC[C@@H](O3)CCN(C1=O)C)OC)C#N)C)OC
Compound: 2-[(2R,4aR,12aS)-8-[(4-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1R)-1-phenylethyl]acetamide
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2CC[C@@H]3[C@H](O2)COC4=C(C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)Cl)C(=O)N3C
Compound: LSM-9383
SMILES: C1CC=C(C1)C2=CC=C3[C@@H]4[C@@H]([C@H]([C@@H](N4CC5=CN=CC=C5)CN3C2=O)CO)C(=O)NCC6=CC=CC=N6
Compound: 2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(oxane-4-carbonyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-ethylacetamide
SMILES: CCNC(=O)C[C@H]1CC[C@H]2[C@H](O1)COC[C@@H](CN2C(=O)C3CCOCC3)O
Compound: LSM-9385
SMILES: C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)[C@H](CC4=CC=CC=C4)N(C)C)[C@H](C)CO
Compound: methyl 2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]acetate
SMILES: COC(=O)C[C@@H]1C[C@@H]2[C@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NS(=O)(=O)C
Compound: (2R,3R,3aS,9bS)-1-(cyclopentanecarbonyl)-7-(2-fluorophenyl)-3-(hydroxymethyl)-N-(2-methoxyethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
SMILES: COCCNC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CC=CC=C4F)[C@H]2N1C(=O)C5CCCC5)CO
Compound: (2S,3S,3aR,9bR)-3-(hydroxymethyl)-7-(3-methoxyphenyl)-1-methyl-6-oxo-N-(2-piperidin-1-ylethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
SMILES: CN1[C@@H]2[C@@H](CN3C2=CC=C(C3=O)C4=CC(=CC=C4)OC)[C@@H]([C@H]1C(=O)NCCN5CCCCC5)CO
Compound: N-[(2R,3R)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide
SMILES: C[C@H](CN(CC1=CC=CC=C1Cl)[C@H](C)CO)[C@H](CN(C)S(=O)(=O)C2=CC=CC=C2)OC
Compound: (2S,3S,3aR,9bR)-N-(cyclopropylmethyl)-3-(hydroxymethyl)-7-(2-methoxyphenyl)-1-methylsulfonyl-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
SMILES: COC1=CC=CC=C1C2=CC=C3[C@H]4[C@@H](CN3C2=O)[C@@H]([C@H](N4S(=O)(=O)C)C(=O)NCC5CC5)CO
Compound: N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]oxane-4-carboxamide
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)C5CCOCC5
Compound: 2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(pyridine-4-carbonyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3-fluorophenyl)methyl]acetamide
SMILES: C1C[C@@H]2[C@H](COC[C@H](CN2C(=O)C3=CC=NC=C3)O)O[C@@H]1CC(=O)NCC4=CC(=CC=C4)F
Compound: (2R,3R,3aS,9bS)-2-N-cyclobutyl-7-(2-fluorophenyl)-3-(hydroxymethyl)-6-oxo-1-N-propan-2-yl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-1,2-dicarboxamide
SMILES: CC(C)NC(=O)N1[C@H]2[C@H](CN3C2=CC=C(C3=O)C4=CC=CC=C4F)[C@H]([C@@H]1C(=O)NC5CCC5)CO
Compound: 2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[4-(trifluoromethyl)phenyl]carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(pyridin-3-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=CN=CC=C5
Compound: N-[(2R,3R)-4-[[(2S)-1-hydroxypropan-2-yl]-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]-2-methoxy-3-methylbutyl]-N-methyloxane-4-carboxamide
SMILES: C[C@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)C(F)(F)F)[C@H](CN(C)C(=O)C2CCOCC2)OC
Compound: N-[(1R,3R,4aR,9aS)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]oxane-4-carboxamide
SMILES: C1COCCC1C(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCC5=C(C=CC(=C5)F)F
Compound: LSM-9397
SMILES: C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC=C4C)[C@H](C)CO
Compound: (2R,3R,3aS,9bS)-7-(cyclohexen-1-yl)-3-(hydroxymethyl)-N,N-dimethyl-6-oxo-1-(pyridin-2-ylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
SMILES: CN(C)C(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CCCCC4)[C@H]2N1CC5=CC=CC=N5)CO
Compound: N-[(2S,4aR,12aR)-5-methyl-2-[2-(methylamino)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,5-difluorobenzamide
SMILES: CNC(=O)C[C@@H]1CC[C@@H]2[C@@H](O1)COC3=C(C=C(C=C3)NC(=O)C4=CC(=CC(=C4)F)F)C(=O)N2C
Compound: 2-[(1S,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILES: CN(C)C1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@H]3CO)CC(=O)NCC4=CC=CC=C4OC