EdisonScientific/glyph-datasets huggingface dataset:
SMILES: Cc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)OC2CN3CCC2CC3)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Branch1][Branch1][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][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][=C][C][C][=N][NH1][C][Ring2][Ring2][#Branch2][=Ring1][Branch1]
InChI: InChI=1S/C32H39N7O4/c1-20-14-21(15-24-17-33-36-29(20)24)16-27(30(40)43-28-19-37-10-6-22(28)7-11-37)35-31(41)38-12-8-25(9-13-38)39-18-23-4-2-3-5-26(23)34-32(39)42/h2-5,14-15,17,22,25,27-28H,6-13,16,18-19H2,1H3,(H,33,36)(H,34,42)(H,35,41)
SMILES: Cc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)OC2CCNCC2)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][C][C][N][C][C][Ring1][=Branch1][=C][C][C][=N][NH1][C][Ring2][Ring2][Branch2][=Ring1][Branch1]
InChI: InChI=1S/C30H37N7O4/c1-19-14-20(15-22-17-32-35-27(19)22)16-26(28(38)41-24-6-10-31-11-7-24)34-29(39)36-12-8-23(9-13-36)37-18-21-4-2-3-5-25(21)33-30(37)40/h2-5,14-15,17,23-24,26,31H,6-13,16,18H2,1H3,(H,32,35)(H,33,40)(H,34,39)
SMILES: Cc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)OC2CCN(C(=O)OC(C)(C)C)CC2)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Branch1][S][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][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][=C][C][C][=N][NH1][C][Ring2][Ring2][#C][=Ring1][Branch1]
InChI: InChI=1S/C35H45N7O6/c1-22-17-23(18-25-20-36-39-30(22)25)19-29(31(43)47-27-11-15-41(16-12-27)34(46)48-35(2,3)4)38-32(44)40-13-9-26(10-14-40)42-21-24-7-5-6-8-28(24)37-33(42)45/h5-8,17-18,20,26-27,29H,9-16,19,21H2,1-4H3,(H,36,39)(H,37,45)(H,38,44)
SMILES: Cc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)OC2CCN(c3ccncc3)CC2)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Branch1][O][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][C][C][N][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][N][=C][C][C][=N][NH1][C][Ring2][Ring2][=C][=Ring1][Branch1]
InChI: InChI=1S/C35H40N8O4/c1-23-18-24(19-26-21-37-40-32(23)26)20-31(33(44)47-29-10-16-41(17-11-29)27-6-12-36-13-7-27)39-34(45)42-14-8-28(9-15-42)43-22-25-4-2-3-5-30(25)38-35(43)46/h2-7,12-13,18-19,21,28-29,31H,8-11,14-17,20,22H2,1H3,(H,37,40)(H,38,46)(H,39,45)
SMILES: CCN(CC)CC(C)OC(=O)C(Cc1cc(C)c2[nH]ncc2c1)NC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][Branch2][Ring1][C][C][C][=C][C][Branch1][C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][#Branch2][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]
InChI: InChI=1S/C32H43N7O4/c1-5-37(6-2)19-22(4)43-30(40)28(17-23-15-21(3)29-25(16-23)18-33-36-29)35-31(41)38-13-11-26(12-14-38)39-20-24-9-7-8-10-27(24)34-32(39)42/h7-10,15-16,18,22,26,28H,5-6,11-14,17,19-20H2,1-4H3,(H,33,36)(H,34,42)(H,35,41)
SMILES: Cc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)OC(C)(C)Cc2ccccc2)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][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][C][=N][NH1][C][Ring2][Ring2][N][=Ring1][Branch1]
InChI: InChI=1S/C35H40N6O4/c1-23-17-25(18-27-21-36-39-31(23)27)19-30(32(42)45-35(2,3)20-24-9-5-4-6-10-24)38-33(43)40-15-13-28(14-16-40)41-22-26-11-7-8-12-29(26)37-34(41)44/h4-12,17-18,21,28,30H,13-16,19-20,22H2,1-3H3,(H,36,39)(H,37,44)(H,38,43)
SMILES: Cc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)OC(C)(C)CCc2ccccc2)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][O][C][Branch1][C][C][Branch1][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][C][=N][NH1][C][Ring2][Ring2][=N][=Ring1][Branch1]
InChI: InChI=1S/C36H42N6O4/c1-24-19-26(20-28-22-37-40-32(24)28)21-31(33(43)46-36(2,3)16-13-25-9-5-4-6-10-25)39-34(44)41-17-14-29(15-18-41)42-23-27-11-7-8-12-30(27)38-35(42)45/h4-12,19-20,22,29,31H,13-18,21,23H2,1-3H3,(H,37,40)(H,38,45)(H,39,44)
SMILES: CCOC(=O)[C@H](Cc1cc(C)c2[nH]ncc2c1)NC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1
SELFIES: [C][C][O][C][=Branch1][C][=O][C@H1][Branch2][Ring1][C][C][C][=C][C][Branch1][C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][#Branch2][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]
InChI: InChI=1S/C27H32N6O4/c1-3-37-25(34)23(14-18-12-17(2)24-20(13-18)15-28-31-24)30-26(35)32-10-8-21(9-11-32)33-16-19-6-4-5-7-22(19)29-27(33)36/h4-7,12-13,15,21,23H,3,8-11,14,16H2,1-2H3,(H,28,31)(H,29,36)(H,30,35)/t23-/m0/s1
SMILES: Cc1cc(CC(NC(=O)N2CCC3(CC2)NC(=O)Nc2ccccc23)C(=O)NCc2ccncc2)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Branch1][Ring1][C][C][Branch2][Ring1][S][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][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][C][=N][NH1][C][Ring2][Ring2][Branch2][=Ring1][Branch1]
InChI: InChI=1S/C30H32N8O3/c1-19-14-21(15-22-18-33-37-26(19)22)16-25(27(39)32-17-20-6-10-31-11-7-20)35-29(41)38-12-8-30(9-13-38)23-4-2-3-5-24(23)34-28(40)36-30/h2-7,10-11,14-15,18,25H,8-9,12-13,16-17H2,1H3,(H,32,39)(H,33,37)(H,35,41)(H2,34,36,40)
SMILES: Cc1cc(CC(NC(=O)N2CCC3(CC2)NC(=O)Nc2ccccc23)C(=O)N2CCN(c3ccncc3)CC2)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Branch1][O][C][C][Branch2][Ring1][S][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][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][N][=C][C][C][=N][NH1][C][Ring2][Ring2][N][=Ring1][Branch1]
InChI: InChI=1S/C33H37N9O3/c1-22-18-23(19-24-21-35-39-29(22)24)20-28(30(43)41-16-14-40(15-17-41)25-6-10-34-11-7-25)37-32(45)42-12-8-33(9-13-42)26-4-2-3-5-27(26)36-31(44)38-33/h2-7,10-11,18-19,21,28H,8-9,12-17,20H2,1H3,(H,35,39)(H,37,45)(H2,36,38,44)
SMILES: CCN(CCN(C)C)C(=O)C(Cc1cc(C)c2[nH]ncc2c1)NC(=O)N1CCC2(CC1)NC(=O)Nc1ccccc12
SELFIES: [C][C][N][Branch1][Branch2][C][C][N][Branch1][C][C][C][C][=Branch1][C][=O][C][Branch2][Ring1][C][C][C][=C][C][Branch1][C][C][=C][NH1][N][=C][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/C30H40N8O3/c1-5-37(15-14-36(3)4)27(39)25(18-21-16-20(2)26-22(17-21)19-31-35-26)33-29(41)38-12-10-30(11-13-38)23-8-6-7-9-24(23)32-28(40)34-30/h6-9,16-17,19,25H,5,10-15,18H2,1-4H3,(H,31,35)(H,33,41)(H2,32,34,40)
SMILES: Cc1cc(CC(NC(=O)N2CCC3(CC2)OC(=O)Nc2ccccc23)C(=O)N2CCN(c3ccccn3)CC2)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Branch1][O][C][C][Branch2][Ring1][S][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][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][=C][C][C][=N][NH1][C][Ring2][Ring2][N][=Ring1][Branch1]
InChI: InChI=1S/C33H36N8O4/c1-22-18-23(19-24-21-35-38-29(22)24)20-27(30(42)40-16-14-39(15-17-40)28-8-4-5-11-34-28)36-31(43)41-12-9-33(10-13-41)25-6-2-3-7-26(25)37-32(44)45-33/h2-8,11,18-19,21,27H,9-10,12-17,20H2,1H3,(H,35,38)(H,36,43)(H,37,44)
SMILES: Cc1cc(C[C@@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Branch1][#Branch2][C][C@@H1][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][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/C35H46N8O3/c1-24-19-25(20-27-22-36-39-32(24)27)21-31(33(44)41-15-9-28(10-16-41)40-13-5-2-6-14-40)38-34(45)42-17-11-29(12-18-42)43-23-26-7-3-4-8-30(26)37-35(43)46/h3-4,7-8,19-20,22,28-29,31H,2,5-6,9-18,21,23H2,1H3,(H,36,39)(H,37,46)(H,38,45)/t31-/m1/s1
SMILES: Cc1cc(C[C@@H](NC(=O)N2CCC3(CC2)NC(=O)Nc2ccccc23)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Branch1][O][C][C@@H1][Branch2][Ring1][S][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][=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/C34H44N8O3/c1-23-19-24(20-25-22-35-39-30(23)25)21-29(31(43)41-15-9-26(10-16-41)40-13-5-2-6-14-40)37-33(45)42-17-11-34(12-18-42)27-7-3-4-8-28(27)36-32(44)38-34/h3-4,7-8,19-20,22,26,29H,2,5-6,9-18,21H2,1H3,(H,35,39)(H,37,45)(H2,36,38,44)/t29-/m1/s1
SMILES: O=C(NC(Cc1cc(Br)c2[nH]ncc2c1)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1
SELFIES: [O][=C][Branch2][Ring2][=N][N][C][Branch2][Ring1][C][C][C][=C][C][Branch1][C][Br][=C][NH1][N][=C][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/C34H43BrN8O3/c35-28-19-23(18-25-21-36-39-31(25)28)20-30(32(44)41-14-8-26(9-15-41)40-12-4-1-5-13-40)38-33(45)42-16-10-27(11-17-42)43-22-24-6-2-3-7-29(24)37-34(43)46/h2-3,6-7,18-19,21,26-27,30H,1,4-5,8-17,20,22H2,(H,36,39)(H,37,46)(H,38,45)
SMILES: O=C(NC(Cc1ccc2[nH]c(=O)oc2c1)C(=O)N1CCN(c2ccncc2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1
SELFIES: [O][=C][Branch2][Ring2][=N][N][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][=N][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/C33H36N8O5/c42-30(39-17-15-38(16-18-39)24-7-11-34-12-8-24)28(19-22-5-6-27-29(20-22)46-33(45)37-27)36-31(43)40-13-9-25(10-14-40)41-21-23-3-1-2-4-26(23)35-32(41)44/h1-8,11-12,20,25,28H,9-10,13-19,21H2,(H,35,44)(H,36,43)(H,37,45)
SMILES: O=C(NC(Cc1ccc2[nH]c(=O)oc2c1)C(=O)N1CCCCC1)N1CCC(N2Cc3ccccc3NC2=O)CC1
SELFIES: [O][=C][Branch2][Ring2][Ring1][N][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][C][C][Ring1][=Branch1][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/C29H34N6O5/c36-26(33-12-4-1-5-13-33)24(16-19-8-9-23-25(17-19)40-29(39)32-23)31-27(37)34-14-10-21(11-15-34)35-18-20-6-2-3-7-22(20)30-28(35)38/h2-3,6-9,17,21,24H,1,4-5,10-16,18H2,(H,30,38)(H,31,37)(H,32,39)
SMILES: CN1CCN(C(=O)C(Cc2ccc3[nH]c(=O)oc3c2)NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)CC1
SELFIES: [C][N][C][C][N][Branch2][Branch1][Branch2][C][=Branch1][C][=O][C][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][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P][C][C][Ring2][Ring2][Branch2]
InChI: InChI=1S/C29H35N7O5/c1-33-12-14-34(15-13-33)26(37)24(16-19-6-7-23-25(17-19)41-29(40)32-23)31-27(38)35-10-8-21(9-11-35)36-18-20-4-2-3-5-22(20)30-28(36)39/h2-7,17,21,24H,8-16,18H2,1H3,(H,30,39)(H,31,38)(H,32,40)
SMILES: Cc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2oc(=O)[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][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][=C][C][O][C][=Branch1][C][=O][NH1][C][Ring2][Ring2][=C][=Ring1][=Branch1]
InChI: InChI=1S/C35H45N7O5/c1-23-19-24(21-30-31(23)38-35(46)47-30)20-29(32(43)40-15-9-26(10-16-40)39-13-5-2-6-14-39)37-33(44)41-17-11-27(12-18-41)42-22-25-7-3-4-8-28(25)36-34(42)45/h3-4,7-8,19,21,26-27,29H,2,5-6,9-18,20,22H2,1H3,(H,36,45)(H,37,44)(H,38,46)
SMILES: Cc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCCCC2)cc2oc(=O)[nH]c12
SELFIES: [C][C][=C][C][Branch2][Ring2][S][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][C][C][C][Ring1][=Branch1][=C][C][O][C][=Branch1][C][=O][NH1][C][Ring2][Ring2][Branch2][=Ring1][=Branch1]
InChI: InChI=1S/C30H36N6O5/c1-19-15-20(17-25-26(19)33-30(40)41-25)16-24(27(37)34-11-5-2-6-12-34)32-28(38)35-13-9-22(10-14-35)36-18-21-7-3-4-8-23(21)31-29(36)39/h3-4,7-8,15,17,22,24H,2,5-6,9-14,16,18H2,1H3,(H,31,39)(H,32,38)(H,33,40)
SMILES: O=C(NC(Cc1cc(Cl)c2[nH]c(=O)oc2c1)C(=O)N1CCCCC1)N1CCC(N2Cc3ccccc3NC2=O)CC1
SELFIES: [O][=C][Branch2][Ring2][=Branch1][N][C][Branch2][Ring1][Branch1][C][C][=C][C][Branch1][C][Cl][=C][NH1][C][=Branch1][C][=O][O][C][Ring1][=Branch1][=C][Ring1][O][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][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/C29H33ClN6O5/c30-21-14-18(16-24-25(21)33-29(40)41-24)15-23(26(37)34-10-4-1-5-11-34)32-27(38)35-12-8-20(9-13-35)36-17-19-6-2-3-7-22(19)31-28(36)39/h2-3,6-7,14,16,20,23H,1,4-5,8-13,15,17H2,(H,31,39)(H,32,38)(H,33,40)
SMILES: Cc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N(C)C)cc2oc(=O)[nH]c12
SELFIES: [C][C][=C][C][Branch2][Ring2][=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][Branch1][C][C][C][=C][C][O][C][=Branch1][C][=O][NH1][C][Ring2][Ring2][Branch1][=Ring1][=Branch1]
InChI: InChI=1S/C27H32N6O5/c1-16-12-17(14-22-23(16)30-27(37)38-22)13-21(24(34)31(2)3)29-25(35)32-10-8-19(9-11-32)33-15-18-6-4-5-7-20(18)28-26(33)36/h4-7,12,14,19,21H,8-11,13,15H2,1-3H3,(H,28,36)(H,29,35)(H,30,37)
SMILES: CN(C)C(=O)C(Cc1cc(Cl)c2[nH]c(=O)oc2c1)NC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1
SELFIES: [C][N][Branch1][C][C][C][=Branch1][C][=O][C][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][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/C26H29ClN6O5/c1-31(2)23(34)20(12-15-11-18(27)22-21(13-15)38-26(37)30-22)29-24(35)32-9-7-17(8-10-32)33-14-16-5-3-4-6-19(16)28-25(33)36/h3-6,11,13,17,20H,7-10,12,14H2,1-2H3,(H,28,36)(H,29,35)(H,30,37)
SMILES: Cc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCN(c3ccncc3)CC2)cc2oc(=O)[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][=N][C][=C][Ring1][=Branch1][C][C][Ring1][N][=C][C][O][C][=Branch1][C][=O][NH1][C][Ring2][Ring2][=C][=Ring1][=Branch1]
InChI: InChI=1S/C34H38N8O5/c1-22-18-23(20-29-30(22)38-34(46)47-29)19-28(31(43)40-16-14-39(15-17-40)25-6-10-35-11-7-25)37-32(44)41-12-8-26(9-13-41)42-21-24-4-2-3-5-27(24)36-33(42)45/h2-7,10-11,18,20,26,28H,8-9,12-17,19,21H2,1H3,(H,36,45)(H,37,44)(H,38,46)
SMILES: O=C(NC(Cc1cc(Cl)c2[nH]c(=O)oc2c1)C(=O)N1CCN(c2ccncc2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1
SELFIES: [O][=C][Branch2][Ring2][S][N][C][Branch2][Ring1][Branch1][C][C][=C][C][Branch1][C][Cl][=C][NH1][C][=Branch1][C][=O][O][C][Ring1][=Branch1][=C][Ring1][O][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=N][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/C33H35ClN8O5/c34-25-17-21(19-28-29(25)38-33(46)47-28)18-27(30(43)40-15-13-39(14-16-40)23-5-9-35-10-6-23)37-31(44)41-11-7-24(8-12-41)42-20-22-3-1-2-4-26(22)36-32(42)45/h1-6,9-10,17,19,24,27H,7-8,11-16,18,20H2,(H,36,45)(H,37,44)(H,38,46)
SMILES: CCc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2oc(=O)[nH]c12
SELFIES: [C][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][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][=C][C][O][C][=Branch1][C][=O][NH1][C][Ring2][Ring2][=C][=Ring1][=Branch1]
InChI: InChI=1S/C36H47N7O5/c1-2-25-20-24(22-31-32(25)39-36(47)48-31)21-30(33(44)41-16-10-27(11-17-41)40-14-6-3-7-15-40)38-34(45)42-18-12-28(13-19-42)43-23-26-8-4-5-9-29(26)37-35(43)46/h4-5,8-9,20,22,27-28,30H,2-3,6-7,10-19,21,23H2,1H3,(H,37,46)(H,38,45)(H,39,47)
SMILES: Cc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2[nH]c(=O)[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][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][=C][C][NH1][C][=Branch1][C][=O][NH1][C][Ring2][Ring2][=C][=Ring1][=Branch1]
InChI: InChI=1S/C35H46N8O4/c1-23-19-24(20-29-31(23)39-33(45)36-29)21-30(32(44)41-15-9-26(10-16-41)40-13-5-2-6-14-40)38-34(46)42-17-11-27(12-18-42)43-22-25-7-3-4-8-28(25)37-35(43)47/h3-4,7-8,19-20,26-27,30H,2,5-6,9-18,21-22H2,1H3,(H,37,47)(H,38,46)(H2,36,39,45)
SMILES: O=C(NC(Cc1cc(Cl)c2[nH]c(=O)[nH]c2c1)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1
SELFIES: [O][=C][Branch2][Ring2][S][N][C][Branch2][Ring1][Branch1][C][C][=C][C][Branch1][C][Cl][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=C][Ring1][O][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/C34H43ClN8O4/c35-26-18-22(19-28-30(26)39-32(45)36-28)20-29(31(44)41-14-8-24(9-15-41)40-12-4-1-5-13-40)38-33(46)42-16-10-25(11-17-42)43-21-23-6-2-3-7-27(23)37-34(43)47/h2-3,6-7,18-19,24-25,29H,1,4-5,8-17,20-21H2,(H,37,47)(H,38,46)(H2,36,39,45)
SMILES: CCc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2[nH]c(=O)[nH]c12
SELFIES: [C][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][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][=C][C][NH1][C][=Branch1][C][=O][NH1][C][Ring2][Ring2][=C][=Ring1][=Branch1]
InChI: InChI=1S/C36H48N8O4/c1-2-25-20-24(21-30-32(25)40-34(46)37-30)22-31(33(45)42-16-10-27(11-17-42)41-14-6-3-7-15-41)39-35(47)43-18-12-28(13-19-43)44-23-26-8-4-5-9-29(26)38-36(44)48/h4-5,8-9,20-21,27-28,31H,2-3,6-7,10-19,22-23H2,1H3,(H,38,48)(H,39,47)(H2,37,40,46)
SMILES: Cn1c(=O)[nH]c2ccc(CC(NC(=O)N3CCC(N4Cc5ccccc5NC4=O)CC3)C(=O)N3CCC(N4CCCCC4)CC3)cc21
SELFIES: [C][N][C][=Branch1][C][=O][NH1][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][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][C][=C][Ring2][Ring2][#Branch2][Ring2][Ring2][=C]
InChI: InChI=1S/C35H46N8O4/c1-39-31-22-24(9-10-29(31)37-33(39)45)21-30(32(44)41-17-11-26(12-18-41)40-15-5-2-6-16-40)38-34(46)42-19-13-27(14-20-42)43-23-25-7-3-4-8-28(25)36-35(43)47/h3-4,7-10,22,26-27,30H,2,5-6,11-21,23H2,1H3,(H,36,47)(H,37,45)(H,38,46)
SMILES: Cc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2c1[nH]c(=O)n2C
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][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][=C][C][=C][Ring2][Ring2][#Branch2][NH1][C][=Branch1][C][=O][N][Ring1][=Branch1][C]
InChI: InChI=1S/C36H48N8O4/c1-24-20-25(22-31-32(24)39-34(46)40(31)2)21-30(33(45)42-16-10-27(11-17-42)41-14-6-3-7-15-41)38-35(47)43-18-12-28(13-19-43)44-23-26-8-4-5-9-29(26)37-36(44)48/h4-5,8-9,20,22,27-28,30H,3,6-7,10-19,21,23H2,1-2H3,(H,37,48)(H,38,47)(H,39,46)
SMILES: Cn1c(=O)[nH]c2c(Cl)cc(CC(NC(=O)N3CCC(N4Cc5ccccc5NC4=O)CC3)C(=O)N3CCC(N4CCCCC4)CC3)cc21
SELFIES: [C][N][C][=Branch1][C][=O][NH1][C][=C][Branch1][C][Cl][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][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][C][=C][Ring2][Ring2][O][Ring2][Ring2][#C]
InChI: InChI=1S/C35H45ClN8O4/c1-40-30-21-23(19-27(36)31(30)39-33(40)46)20-29(32(45)42-15-9-25(10-16-42)41-13-5-2-6-14-41)38-34(47)43-17-11-26(12-18-43)44-22-24-7-3-4-8-28(24)37-35(44)48/h3-4,7-8,19,21,25-26,29H,2,5-6,9-18,20,22H2,1H3,(H,37,48)(H,38,47)(H,39,46)
SMILES: CCc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2c1[nH]c(=O)n2C
SELFIES: [C][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][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][=C][C][=C][Ring2][Ring2][#Branch2][NH1][C][=Branch1][C][=O][N][Ring1][=Branch1][C]
InChI: InChI=1S/C37H50N8O4/c1-3-26-21-25(23-32-33(26)40-35(47)41(32)2)22-31(34(46)43-17-11-28(12-18-43)42-15-7-4-8-16-42)39-36(48)44-19-13-29(14-20-44)45-24-27-9-5-6-10-30(27)38-37(45)49/h5-6,9-10,21,23,28-29,31H,3-4,7-8,11-20,22,24H2,1-2H3,(H,38,49)(H,39,48)(H,40,47)
SMILES: CN(C)C(=O)c1cc(-c2cnoc2-c2cccc(F)c2F)c[nH]1
SELFIES: [C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Ring2][C][C][=N][O][C][=Ring1][Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][=C][NH1][Ring2][Ring1][C]
InChI: InChI=1S/C16H13F2N3O2/c1-21(2)16(22)13-6-9(7-19-13)11-8-20-23-15(11)10-4-3-5-12(17)14(10)18/h3-8,19H,1-2H3
SMILES: O=C(c1cc(-c2cnoc2-c2cccc(F)c2F)c[nH]1)N1CCC1
SELFIES: [O][=C][Branch2][Ring1][#C][C][=C][C][Branch2][Ring1][Ring2][C][C][=N][O][C][=Ring1][Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][=C][NH1][Ring2][Ring1][C][N][C][C][C][Ring1][Ring2]
InChI: InChI=1S/C17H13F2N3O2/c18-13-4-1-3-11(15(13)19)16-12(9-21-24-16)10-7-14(20-8-10)17(23)22-5-2-6-22/h1,3-4,7-9,20H,2,5-6H2
SMILES: O=C(NCCCn1ccnc1)c1cc(-c2cnoc2-c2cccc(F)c2F)c[nH]1
SELFIES: [O][=C][Branch1][N][N][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][Branch2][Ring1][Ring2][C][C][=N][O][C][=Ring1][Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][=C][NH1][Ring2][Ring1][C]
InChI: InChI=1S/C20H17F2N5O2/c21-16-4-1-3-14(18(16)22)19-15(11-26-29-19)13-9-17(25-10-13)20(28)24-5-2-7-27-8-6-23-12-27/h1,3-4,6,8-12,25H,2,5,7H2,(H,24,28)