EdisonScientific/glyph-datasets huggingface dataset:
SMILES: Cc1cc(C[C@@H](NC(=O)N2CCC(n3c(=O)[nH]c4ccccc4c3=O)CC2)C(=O)O)cc2nn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Ring2][=C][C][C@@H1][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][C][C][Ring2][Ring1][C][C][=Branch1][C][=O][O][=C][C][N][=N][NH1][C][Ring2][Ring2][Ring1][=Ring1][Branch1]
InChI: InChI=1S/C24H25N7O5/c1-13-10-14(11-18-20(13)28-29-27-18)12-19(22(33)34)26-23(35)30-8-6-15(7-9-30)31-21(32)16-4-2-3-5-17(16)25-24(31)36/h2-5,10-11,15,19H,6-9,12H2,1H3,(H,25,36)(H,26,35)(H,33,34)(H,27,28,29)/t19-/m1/s1
SMILES: Cc1cc(C[C@@H](NC(=O)N2CCC(n3c(=O)[nH]c4ccccc4c3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2nn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Branch1][#C][C][C@@H1][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][C][C][Ring2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][=C][C][N][=N][NH1][C][Ring2][Ring2][=C][=Ring1][Branch1]
InChI: InChI=1S/C34H43N9O4/c1-22-19-23(20-28-30(22)38-39-37-28)21-29(32(45)41-15-9-24(10-16-41)40-13-5-2-6-14-40)36-33(46)42-17-11-25(12-18-42)43-31(44)26-7-3-4-8-27(26)35-34(43)47/h3-4,7-8,19-20,24-25,29H,2,5-6,9-18,21H2,1H3,(H,35,47)(H,36,46)(H,37,38,39)/t29-/m1/s1
SMILES: COC(=O)[C@@H](Cc1cc(Cl)c2[nH]c(=O)oc2c1)NC(=O)OCc1ccccc1
SELFIES: [C][O][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][Branch1][C][C][=C][C][Branch1][C][Cl][=C][NH1][C][=Branch1][C][=O][O][C][Ring1][=Branch1][=C][Ring1][O][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C19H17ClN2O6/c1-26-17(23)14(21-18(24)27-10-11-5-3-2-4-6-11)8-12-7-13(20)16-15(9-12)28-19(25)22-16/h2-7,9,14H,8,10H2,1H3,(H,21,24)(H,22,25)/t14-/m1/s1
SMILES: COC(=O)[C@@H](Cc1cc2oc(=O)[nH]c2cc1Cl)NC(=O)OCc1ccccc1
SELFIES: [C][O][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][Ring1][C][C][=C][C][O][C][=Branch1][C][=O][NH1][C][=Ring1][=Branch1][C][=C][Ring1][#Branch2][Cl][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C19H17ClN2O6/c1-26-17(23)15(22-18(24)27-10-11-5-3-2-4-6-11)7-12-8-16-14(9-13(12)20)21-19(25)28-16/h2-6,8-9,15H,7,10H2,1H3,(H,21,25)(H,22,24)/t15-/m1/s1
SMILES: COC(=O)[C@@H](Cc1cc(Br)c2[nH]c(=O)oc2c1)NC(=O)OCc1ccccc1
SELFIES: [C][O][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][Branch1][C][C][=C][C][Branch1][C][Br][=C][NH1][C][=Branch1][C][=O][O][C][Ring1][=Branch1][=C][Ring1][O][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C19H17BrN2O6/c1-26-17(23)14(21-18(24)27-10-11-5-3-2-4-6-11)8-12-7-13(20)16-15(9-12)28-19(25)22-16/h2-7,9,14H,8,10H2,1H3,(H,21,24)(H,22,25)/t14-/m1/s1
SMILES: COC(=O)[C@@H](Cc1cc2oc(=O)[nH]c2cc1Br)NC(=O)OCc1ccccc1
SELFIES: [C][O][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][Ring1][C][C][=C][C][O][C][=Branch1][C][=O][NH1][C][=Ring1][=Branch1][C][=C][Ring1][#Branch2][Br][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C19H17BrN2O6/c1-26-17(23)15(22-18(24)27-10-11-5-3-2-4-6-11)7-12-8-16-14(9-13(12)20)21-19(25)28-16/h2-6,8-9,15H,7,10H2,1H3,(H,21,25)(H,22,24)/t15-/m1/s1
SMILES: COC(=O)[C@@H](Cc1cc(I)c2[nH]c(=O)oc2c1)NC(=O)OCc1ccccc1
SELFIES: [C][O][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][Branch1][C][C][=C][C][Branch1][C][I][=C][NH1][C][=Branch1][C][=O][O][C][Ring1][=Branch1][=C][Ring1][O][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C19H17IN2O6/c1-26-17(23)14(21-18(24)27-10-11-5-3-2-4-6-11)8-12-7-13(20)16-15(9-12)28-19(25)22-16/h2-7,9,14H,8,10H2,1H3,(H,21,24)(H,22,25)/t14-/m1/s1
SMILES: COC(=O)[C@H](N)Cc1cc2oc(=O)[nH]c2cc1Br
SELFIES: [C][O][C][=Branch1][C][=O][C@H1][Branch1][C][N][C][C][=C][C][O][C][=Branch1][C][=O][NH1][C][=Ring1][=Branch1][C][=C][Ring1][#Branch2][Br]
InChI: InChI=1S/C11H11BrN2O4/c1-17-10(15)7(13)2-5-3-9-8(4-6(5)12)14-11(16)18-9/h3-4,7H,2,13H2,1H3,(H,14,16)/t7-/m1/s1
SMILES: COC(=O)[C@H](N)Cc1cc(Br)c2[nH]c(=O)oc2c1
SELFIES: [C][O][C][=Branch1][C][=O][C@H1][Branch1][C][N][C][C][=C][C][Branch1][C][Br][=C][NH1][C][=Branch1][C][=O][O][C][Ring1][=Branch1][=C][Ring1][O]
InChI: InChI=1S/C11H11BrN2O4/c1-17-10(15)7(13)3-5-2-6(12)9-8(4-5)18-11(16)14-9/h2,4,7H,3,13H2,1H3,(H,14,16)/t7-/m1/s1
SMILES: COC(=O)[C@H](N)Cc1cc2oc(=O)[nH]c2cc1Cl
SELFIES: [C][O][C][=Branch1][C][=O][C@H1][Branch1][C][N][C][C][=C][C][O][C][=Branch1][C][=O][NH1][C][=Ring1][=Branch1][C][=C][Ring1][#Branch2][Cl]
InChI: InChI=1S/C11H11ClN2O4/c1-17-10(15)7(13)2-5-3-9-8(4-6(5)12)14-11(16)18-9/h3-4,7H,2,13H2,1H3,(H,14,16)/t7-/m1/s1
SMILES: COC(=O)[C@H](N)Cc1cc(Cl)c2[nH]c(=O)oc2c1
SELFIES: [C][O][C][=Branch1][C][=O][C@H1][Branch1][C][N][C][C][=C][C][Branch1][C][Cl][=C][NH1][C][=Branch1][C][=O][O][C][Ring1][=Branch1][=C][Ring1][O]
InChI: InChI=1S/C11H11ClN2O4/c1-17-10(15)7(13)3-5-2-6(12)9-8(4-5)18-11(16)14-9/h2,4,7H,3,13H2,1H3,(H,14,16)/t7-/m1/s1
SMILES: COC(=O)[C@H](N)Cc1cc(I)c2[nH]c(=O)oc2c1
SELFIES: [C][O][C][=Branch1][C][=O][C@H1][Branch1][C][N][C][C][=C][C][Branch1][C][I][=C][NH1][C][=Branch1][C][=O][O][C][Ring1][=Branch1][=C][Ring1][O]
InChI: InChI=1S/C11H11IN2O4/c1-17-10(15)7(13)3-5-2-6(12)9-8(4-5)18-11(16)14-9/h2,4,7H,3,13H2,1H3,(H,14,16)/t7-/m1/s1
SMILES: COC(=O)[C@@H](Cc1ccc2[nH]c(=O)oc2c1)NC(=O)N1CCC2(CC1)OC(=O)Nc1ccccc12
SELFIES: [C][O][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][C][C][C][=C][C][=C][NH1][C][=Branch1][C][=O][O][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N]
InChI: InChI=1S/C24H24N4O7/c1-33-20(29)18(12-14-6-7-17-19(13-14)34-22(31)27-17)25-21(30)28-10-8-24(9-11-28)15-4-2-3-5-16(15)26-23(32)35-24/h2-7,13,18H,8-12H2,1H3,(H,25,30)(H,26,32)(H,27,31)/t18-/m1/s1
SMILES: COC(=O)[C@@H](Cc1ccc2[nH]c(=O)oc2c1)NC(=O)N1CCC2(CC1)NC(=O)Nc1ccccc12
SELFIES: [C][O][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][C][C][C][=C][C][=C][NH1][C][=Branch1][C][=O][O][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N]
InChI: InChI=1S/C24H25N5O6/c1-34-20(30)18(12-14-6-7-17-19(13-14)35-23(33)27-17)26-22(32)29-10-8-24(9-11-29)15-4-2-3-5-16(15)25-21(31)28-24/h2-7,13,18H,8-12H2,1H3,(H,26,32)(H,27,33)(H2,25,28,31)/t18-/m1/s1
SMILES: O=C1Nc2ccccc2C2(CCN(C(=O)N[C@H](Cc3ccc4[nH]c(=O)oc4c3)C(=O)O)CC2)O1
SELFIES: [O][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring2][O][C][C][N][Branch2][Ring1][S][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][C][C][C][=C][C][=C][NH1][C][=Branch1][C][=O][O][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Branch1][C][=O][O][C][C][Ring2][Ring1][Branch2][O][Ring2][Ring1][P]
InChI: InChI=1S/C23H22N4O7/c28-19(29)17(11-13-5-6-16-18(12-13)33-21(31)26-16)24-20(30)27-9-7-23(8-10-27)14-3-1-2-4-15(14)25-22(32)34-23/h1-6,12,17H,7-11H2,(H,24,30)(H,25,32)(H,26,31)(H,28,29)/t17-/m1/s1
SMILES: O=C1Nc2ccccc2C2(CCN(C(=O)N[C@H](Cc3ccc4[nH]c(=O)oc4c3)C(=O)O)CC2)N1
SELFIES: [O][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring2][O][C][C][N][Branch2][Ring1][S][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][C][C][C][=C][C][=C][NH1][C][=Branch1][C][=O][O][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Branch1][C][=O][O][C][C][Ring2][Ring1][Branch2][N][Ring2][Ring1][P]
InChI: InChI=1S/C23H23N5O6/c29-19(30)17(11-13-5-6-16-18(12-13)34-22(33)26-16)25-21(32)28-9-7-23(8-10-28)14-3-1-2-4-15(14)24-20(31)27-23/h1-6,12,17H,7-11H2,(H,25,32)(H,26,33)(H,29,30)(H2,24,27,31)/t17-/m1/s1
SMILES: O=C1Nc2ccccc2C2(CCN(C(=O)N[C@H](Cc3ccc4[nH]c(=O)oc4c3)C(=O)N3CCC(N4CCCCC4)CC3)CC2)O1
SELFIES: [O][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Branch1][N][C][C][N][Branch2][Ring2][P][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][C][C][C][=C][C][=C][NH1][C][=Branch1][C][=O][O][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][C][C][Ring2][Ring2][Ring1][O][Ring2][Ring2][N]
InChI: InChI=1S/C33H40N6O6/c40-29(38-16-10-23(11-17-38)37-14-4-1-5-15-37)27(20-22-8-9-26-28(21-22)44-31(42)36-26)34-30(41)39-18-12-33(13-19-39)24-6-2-3-7-25(24)35-32(43)45-33/h2-3,6-9,21,23,27H,1,4-5,10-20H2,(H,34,41)(H,35,43)(H,36,42)/t27-/m1/s1
SMILES: O=C1Nc2ccccc2C2(CCN(C(=O)N[C@H](Cc3ccc4[nH]c(=O)oc4c3)C(=O)N3CCN(C4CCCCC4)CC3)CC2)O1
SELFIES: [O][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Branch1][N][C][C][N][Branch2][Ring2][P][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][C][C][C][=C][C][=C][NH1][C][=Branch1][C][=O][O][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][C][C][Ring2][Ring2][Ring1][O][Ring2][Ring2][N]
InChI: InChI=1S/C33H40N6O6/c40-29(38-18-16-37(17-19-38)23-6-2-1-3-7-23)27(20-22-10-11-26-28(21-22)44-31(42)36-26)34-30(41)39-14-12-33(13-15-39)24-8-4-5-9-25(24)35-32(43)45-33/h4-5,8-11,21,23,27H,1-3,6-7,12-20H2,(H,34,41)(H,35,43)(H,36,42)/t27-/m1/s1
SMILES: CC(C)N1CCN(C(=O)[C@@H](Cc2ccc3[nH]c(=O)oc3c2)NC(=O)N2CCC3(CC2)OC(=O)Nc2ccccc23)CC1
SELFIES: [C][C][Branch1][C][C][N][C][C][N][Branch2][Branch1][=Branch2][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][C][C][C][=C][C][=C][NH1][C][=Branch1][C][=O][O][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][C][Ring2][Ring2][#Branch1]
InChI: InChI=1S/C30H36N6O6/c1-19(2)34-13-15-35(16-14-34)26(37)24(17-20-7-8-23-25(18-20)41-28(39)33-23)31-27(38)36-11-9-30(10-12-36)21-5-3-4-6-22(21)32-29(40)42-30/h3-8,18-19,24H,9-17H2,1-2H3,(H,31,38)(H,32,40)(H,33,39)/t24-/m1/s1
SMILES: O=C1Nc2ccccc2C2(CCN(C(=O)N[C@H](Cc3ccc4[nH]c(=O)oc4c3)C(=O)N3CCC(N4CCCCC4)CC3)CC2)N1
SELFIES: [O][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Branch1][N][C][C][N][Branch2][Ring2][P][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][C][C][C][=C][C][=C][NH1][C][=Branch1][C][=O][O][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][C][C][Ring2][Ring2][Ring1][N][Ring2][Ring2][N]
InChI: InChI=1S/C33H41N7O5/c41-29(39-16-10-23(11-17-39)38-14-4-1-5-15-38)27(20-22-8-9-26-28(21-22)45-32(44)36-26)35-31(43)40-18-12-33(13-19-40)24-6-2-3-7-25(24)34-30(42)37-33/h2-3,6-9,21,23,27H,1,4-5,10-20H2,(H,35,43)(H,36,44)(H2,34,37,42)/t27-/m1/s1
SMILES: O=C1Nc2ccccc2C2(CCN(C(=O)N[C@H](Cc3ccc4[nH]c(=O)oc4c3)C(=O)N3CCN(C4CCCCC4)CC3)CC2)N1
SELFIES: [O][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Branch1][N][C][C][N][Branch2][Ring2][P][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][C][C][C][=C][C][=C][NH1][C][=Branch1][C][=O][O][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][C][C][Ring2][Ring2][Ring1][N][Ring2][Ring2][N]
InChI: InChI=1S/C33H41N7O5/c41-29(39-18-16-38(17-19-39)23-6-2-1-3-7-23)27(20-22-10-11-26-28(21-22)45-32(44)36-26)35-31(43)40-14-12-33(13-15-40)24-8-4-5-9-25(24)34-30(42)37-33/h4-5,8-11,21,23,27H,1-3,6-7,12-20H2,(H,35,43)(H,36,44)(H2,34,37,42)/t27-/m1/s1
SMILES: CC(C)N1CCN(C(=O)[C@@H](Cc2ccc3[nH]c(=O)oc3c2)NC(=O)N2CCC3(CC2)NC(=O)Nc2ccccc23)CC1
SELFIES: [C][C][Branch1][C][C][N][C][C][N][Branch2][Branch1][=Branch2][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][C][C][C][=C][C][=C][NH1][C][=Branch1][C][=O][O][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][C][Ring2][Ring2][#Branch1]
InChI: InChI=1S/C30H37N7O5/c1-19(2)35-13-15-36(16-14-35)26(38)24(17-20-7-8-23-25(18-20)42-29(41)33-23)32-28(40)37-11-9-30(10-12-37)21-5-3-4-6-22(21)31-27(39)34-30/h3-8,18-19,24H,9-17H2,1-2H3,(H,32,40)(H,33,41)(H2,31,34,39)/t24-/m1/s1
SMILES: Cc1cc(CC(CC(=O)N2CCC3(CC2)OC(=O)Nc2ccccc23)C(=O)N[C@H](CO)Cc2ccccc2)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Branch1][Branch2][C][C][Branch2][Ring1][S][C][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=Branch1][C][=O][N][C@H1][Branch1][Ring1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][C][=N][NH1][C][Ring2][Ring2][O][=Ring1][Branch1]
InChI: InChI=1S/C34H37N5O5/c1-22-15-24(17-26-20-35-38-31(22)26)16-25(32(42)36-27(21-40)18-23-7-3-2-4-8-23)19-30(41)39-13-11-34(12-14-39)28-9-5-6-10-29(28)37-33(43)44-34/h2-10,15,17,20,25,27,40H,11-14,16,18-19,21H2,1H3,(H,35,38)(H,36,42)(H,37,43)/t25?,27-/m0/s1
SMILES: Cc1cc(CC(CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N[C@H](CO)Cc2ccccc2)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Branch1][#Branch1][C][C][Branch2][Ring1][#C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P][C][=Branch1][C][=O][N][C@H1][Branch1][Ring1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][C][=N][NH1][C][Ring2][Ring2][N][=Ring1][Branch1]
InChI: InChI=1S/C35H40N6O4/c1-23-15-25(17-28-20-36-39-33(23)28)16-27(34(44)37-29(22-42)18-24-7-3-2-4-8-24)19-32(43)40-13-11-30(12-14-40)41-21-26-9-5-6-10-31(26)38-35(41)45/h2-10,15,17,20,27,29-30,42H,11-14,16,18-19,21-22H2,1H3,(H,36,39)(H,37,44)(H,38,45)/t27?,29-/m0/s1
SMILES: Cc1cc(CC(CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)NNC(=O)Cc2ccccc2)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Branch1][#Branch1][C][C][Branch2][Ring1][#C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][C][=N][NH1][C][Ring2][Ring2][N][=Ring1][Branch1]
InChI: InChI=1S/C34H37N7O4/c1-22-15-24(17-27-20-35-38-32(22)27)16-26(33(44)39-37-30(42)18-23-7-3-2-4-8-23)19-31(43)40-13-11-28(12-14-40)41-21-25-9-5-6-10-29(25)36-34(41)45/h2-10,15,17,20,26,28H,11-14,16,18-19,21H2,1H3,(H,35,38)(H,36,45)(H,37,42)(H,39,44)
SMILES: Cc1cc(CC(CC(=O)N2CCC(N3Cc4cccc(F)c4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Branch1][#C][C][C][Branch2][Ring2][Ring2][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring1][N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][Ring1][O][=O][C][C][Ring2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][=C][C][C][=N][NH1][C][Ring2][Ring2][=C][=Ring1][Branch1]
InChI: InChI=1S/C36H46FN7O3/c1-24-18-25(20-28-22-38-40-33(24)28)19-27(35(46)43-16-8-29(9-17-43)41-12-3-2-4-13-41)21-32(45)42-14-10-30(11-15-42)44-23-26-6-5-7-31(37)34(26)39-36(44)47/h5-7,18,20,22,27,29-30H,2-4,8-17,19,21,23H2,1H3,(H,38,40)(H,39,47)
SMILES: Cc1cc(CC(CC(=O)N2CCC3(CC2)NC(=O)Nc2ccccc23)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Branch1][O][C][C][Branch2][Ring1][S][C][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][=C][C][C][=N][NH1][C][Ring2][Ring2][N][=Ring1][Branch1]
InChI: InChI=1S/C35H45N7O3/c1-24-19-25(21-27-23-36-39-32(24)27)20-26(33(44)42-15-9-28(10-16-42)40-13-5-2-6-14-40)22-31(43)41-17-11-35(12-18-41)29-7-3-4-8-30(29)37-34(45)38-35/h3-4,7-8,19,21,23,26,28H,2,5-6,9-18,20,22H2,1H3,(H,36,39)(H2,37,38,45)
SMILES: O=Cc1ccc2[nH]c(=O)oc2c1
SELFIES: [O][=C][C][=C][C][=C][NH1][C][=Branch1][C][=O][O][C][Ring1][=Branch1][=C][Ring1][#Branch2]
InChI: InChI=1S/C8H5NO3/c10-4-5-1-2-6-7(3-5)12-8(11)9-6/h1-4H,(H,9,11)
SMILES: COC(=O)CC(=Cc1ccc2[nH]c(=O)oc2c1)C(=O)O
SELFIES: [C][O][C][=Branch1][C][=O][C][C][=Branch2][Ring1][C][=C][C][=C][C][=C][NH1][C][=Branch1][C][=O][O][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Branch1][C][=O][O]
InChI: InChI=1S/C13H11NO6/c1-19-11(15)6-8(12(16)17)4-7-2-3-9-10(5-7)20-13(18)14-9/h2-5H,6H2,1H3,(H,14,18)(H,16,17)
SMILES: COC(=O)CC(Cc1ccc2[nH]c(=O)oc2c1)C(=O)O
SELFIES: [C][O][C][=Branch1][C][=O][C][C][Branch2][Ring1][C][C][C][=C][C][=C][NH1][C][=Branch1][C][=O][O][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Branch1][C][=O][O]
InChI: InChI=1S/C13H13NO6/c1-19-11(15)6-8(12(16)17)4-7-2-3-9-10(5-7)20-13(18)14-9/h2-3,5,8H,4,6H2,1H3,(H,14,18)(H,16,17)
SMILES: COC(=O)C(CC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)Cc1ccc2[nH]c(=O)oc2c1
SELFIES: [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][#C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P][C][C][=C][C][=C][NH1][C][=Branch1][C][=O][O][C][Ring1][=Branch1][=C][Ring1][#Branch2]
InChI: InChI=1S/C26H28N4O6/c1-35-24(32)18(12-16-6-7-21-22(13-16)36-26(34)28-21)14-23(31)29-10-8-19(9-11-29)30-15-17-4-2-3-5-20(17)27-25(30)33/h2-7,13,18-19H,8-12,14-15H2,1H3,(H,27,33)(H,28,34)
SMILES: COC(=O)C(CC(=O)N1CCC2(CC1)NC(=O)Nc1ccccc12)Cc1ccc2[nH]c(=O)oc2c1
SELFIES: [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][S][C][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][C][=C][C][=C][NH1][C][=Branch1][C][=O][O][C][Ring1][=Branch1][=C][Ring1][#Branch2]
InChI: InChI=1S/C25H26N4O6/c1-34-22(31)16(12-15-6-7-19-20(13-15)35-24(33)27-19)14-21(30)29-10-8-25(9-11-29)17-4-2-3-5-18(17)26-23(32)28-25/h2-7,13,16H,8-12,14H2,1H3,(H,27,33)(H2,26,28,32)
SMILES: O=C1Nc2ccccc2C2(CCN(C(=O)CC(Cc3ccc4[nH]c(=O)oc4c3)C(=O)O)CC2)N1
SELFIES: [O][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring2][O][C][C][N][Branch2][Ring1][S][C][=Branch1][C][=O][C][C][Branch2][Ring1][C][C][C][=C][C][=C][NH1][C][=Branch1][C][=O][O][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Branch1][C][=O][O][C][C][Ring2][Ring1][Branch2][N][Ring2][Ring1][P]
InChI: InChI=1S/C24H24N4O6/c29-20(13-15(21(30)31)11-14-5-6-18-19(12-14)34-23(33)26-18)28-9-7-24(8-10-28)16-3-1-2-4-17(16)25-22(32)27-24/h1-6,12,15H,7-11,13H2,(H,26,33)(H,30,31)(H2,25,27,32)
SMILES: O=C(O)C(CC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)Cc1ccc2[nH]c(=O)oc2c1
SELFIES: [O][=C][Branch1][C][O][C][Branch2][Ring1][#C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P][C][C][=C][C][=C][NH1][C][=Branch1][C][=O][O][C][Ring1][=Branch1][=C][Ring1][#Branch2]
InChI: InChI=1S/C25H26N4O6/c30-22(13-17(23(31)32)11-15-5-6-20-21(12-15)35-25(34)27-20)28-9-7-18(8-10-28)29-14-16-3-1-2-4-19(16)26-24(29)33/h1-6,12,17-18H,7-11,13-14H2,(H,26,33)(H,27,34)(H,31,32)
SMILES: O=C(CC(Cc1ccc2[nH]c(=O)oc2c1)C(=O)N1CCN(C2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1
SELFIES: [O][=C][Branch2][Ring2][=N][C][C][Branch2][Ring1][C][C][C][=C][C][=C][NH1][C][=Branch1][C][=O][O][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P]
InChI: InChI=1S/C35H44N6O5/c42-32(39-14-12-28(13-15-39)41-23-25-6-4-5-9-29(25)36-34(41)44)22-26(20-24-10-11-30-31(21-24)46-35(45)37-30)33(43)40-18-16-38(17-19-40)27-7-2-1-3-8-27/h4-6,9-11,21,26-28H,1-3,7-8,12-20,22-23H2,(H,36,44)(H,37,45)
SMILES: O=C(CC(Cc1ccc2[nH]c(=O)oc2c1)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1
SELFIES: [O][=C][Branch2][Ring2][=N][C][C][Branch2][Ring1][C][C][C][=C][C][=C][NH1][C][=Branch1][C][=O][O][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P]
InChI: InChI=1S/C35H44N6O5/c42-32(39-16-12-28(13-17-39)41-23-25-6-2-3-7-29(25)36-34(41)44)22-26(20-24-8-9-30-31(21-24)46-35(45)37-30)33(43)40-18-10-27(11-19-40)38-14-4-1-5-15-38/h2-3,6-9,21,26-28H,1,4-5,10-20,22-23H2,(H,36,44)(H,37,45)
SMILES: O=C1Nc2ccccc2C2(CCN(C(=O)CC(Cc3ccc4[nH]c(=O)oc4c3)C(=O)N3CCC(N4CCCCC4)CC3)CC2)N1
SELFIES: [O][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Branch1][N][C][C][N][Branch2][Ring2][P][C][=Branch1][C][=O][C][C][Branch2][Ring1][C][C][C][=C][C][=C][NH1][C][=Branch1][C][=O][O][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][C][C][Ring2][Ring2][Ring1][N][Ring2][Ring2][N]
InChI: InChI=1S/C34H42N6O5/c41-30(39-18-12-34(13-19-39)26-6-2-3-7-27(26)35-32(43)37-34)22-24(20-23-8-9-28-29(21-23)45-33(44)36-28)31(42)40-16-10-25(11-17-40)38-14-4-1-5-15-38/h2-3,6-9,21,24-25H,1,4-5,10-20,22H2,(H,36,44)(H2,35,37,43)
SMILES: O=C1Nc2ccccc2C2(CCN(C(=O)CC(Cc3ccc4[nH]c(=O)oc4c3)C(=O)N3CCN(C4CCCCC4)CC3)CC2)N1
SELFIES: [O][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Branch1][N][C][C][N][Branch2][Ring2][P][C][=Branch1][C][=O][C][C][Branch2][Ring1][C][C][C][=C][C][=C][NH1][C][=Branch1][C][=O][O][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][C][C][Ring2][Ring2][Ring1][N][Ring2][Ring2][N]
InChI: InChI=1S/C34H42N6O5/c41-30(39-14-12-34(13-15-39)26-8-4-5-9-27(26)35-32(43)37-34)22-24(20-23-10-11-28-29(21-23)45-33(44)36-28)31(42)40-18-16-38(17-19-40)25-6-2-1-3-7-25/h4-5,8-11,21,24-25H,1-3,6-7,12-20,22H2,(H,36,44)(H2,35,37,43)
SMILES: Cc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCN(C3CCCCC3)CC2)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Branch1][#Branch2][C][C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][=C][C][C][=N][NH1][C][Ring2][Ring2][=N][=Ring1][Branch1]
InChI: InChI=1S/C35H46N8O3/c1-24-19-25(20-27-22-36-39-32(24)27)21-31(33(44)41-17-15-40(16-18-41)28-8-3-2-4-9-28)38-34(45)42-13-11-29(12-14-42)43-23-26-7-5-6-10-30(26)37-35(43)46/h5-7,10,19-20,22,28-29,31H,2-4,8-9,11-18,21,23H2,1H3,(H,36,39)(H,37,46)(H,38,45)
SMILES: Cc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCN(C3CCC(F)CC3)CC2)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Branch1][=N][C][C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][C][C][C][Branch1][C][F][C][C][Ring1][#Branch1][C][C][Ring1][=N][=C][C][C][=N][NH1][C][Ring2][Ring2][=C][=Ring1][Branch1]
InChI: InChI=1S/C35H45FN8O3/c1-23-18-24(19-26-21-37-40-32(23)26)20-31(33(45)42-16-14-41(15-17-42)28-8-6-27(36)7-9-28)39-34(46)43-12-10-29(11-13-43)44-22-25-4-2-3-5-30(25)38-35(44)47/h2-5,18-19,21,27-29,31H,6-17,20,22H2,1H3,(H,37,40)(H,38,47)(H,39,46)
SMILES: Cc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)OC(C)(C)C)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Ring2][P][C][C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][=C][C][C][=N][NH1][C][Ring2][Ring2][=Branch1][=Ring1][Branch1]
InChI: InChI=1S/C29H36N6O4/c1-18-13-19(14-21-16-30-33-25(18)21)15-24(26(36)39-29(2,3)4)32-27(37)34-11-9-22(10-12-34)35-17-20-7-5-6-8-23(20)31-28(35)38/h5-8,13-14,16,22,24H,9-12,15,17H2,1-4H3,(H,30,33)(H,31,38)(H,32,37)
SMILES: Cc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)OC2(C)CCCCC2)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Branch1][Ring2][C][C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][C][C][C][Ring1][#Branch1][=C][C][C][=N][NH1][C][Ring2][Ring2][=Branch2][=Ring1][Branch1]
InChI: InChI=1S/C32H40N6O4/c1-21-16-22(17-24-19-33-36-28(21)24)18-27(29(39)42-32(2)12-6-3-7-13-32)35-30(40)37-14-10-25(11-15-37)38-20-23-8-4-5-9-26(23)34-31(38)41/h4-5,8-9,16-17,19,25,27H,3,6-7,10-15,18,20H2,1-2H3,(H,33,36)(H,34,41)(H,35,40)