EdisonScientific/glyph-datasets huggingface dataset:
SMILES: Cc1cc(CC(CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCOCC2)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Ring2][S][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][C][O][C][C][Ring1][=Branch1][=C][C][C][=N][NH1][C][Ring2][Ring2][#Branch1][=Ring1][Branch1]
InChI: InChI=1S/C30H36N6O4/c1-20-14-21(16-24-18-31-33-28(20)24)15-23(29(38)35-10-12-40-13-11-35)17-27(37)34-8-6-25(7-9-34)36-19-22-4-2-3-5-26(22)32-30(36)39/h2-5,14,16,18,23,25H,6-13,15,17,19H2,1H3,(H,31,33)(H,32,39)
SMILES: Cc1cc(CC(CC(=O)N2CCC3(CC2)OC(=O)Nc2ccccc23)C(=O)N(C)C)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Ring2][=C][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][Branch1][C][C][C][=C][C][C][=N][NH1][C][Ring2][Ring2][Ring1][=Ring1][Branch1]
InChI: InChI=1S/C27H31N5O4/c1-17-12-18(14-20-16-28-30-24(17)20)13-19(25(34)31(2)3)15-23(33)32-10-8-27(9-11-32)21-6-4-5-7-22(21)29-26(35)36-27/h4-7,12,14,16,19H,8-11,13,15H2,1-3H3,(H,28,30)(H,29,35)
SMILES: Cc1cc(CC(CC(=O)N2CCC3(CC2)OC(=O)Nc2ccccc23)C(=O)N2CCCCC2)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Ring2][P][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][C][C][C][C][Ring1][=Branch1][=C][C][C][=N][NH1][C][Ring2][Ring2][=Branch1][=Ring1][Branch1]
InChI: InChI=1S/C30H35N5O4/c1-20-15-21(17-23-19-31-33-27(20)23)16-22(28(37)35-11-5-2-6-12-35)18-26(36)34-13-9-30(10-14-34)24-7-3-4-8-25(24)32-29(38)39-30/h3-4,7-8,15,17,19,22H,2,5-6,9-14,16,18H2,1H3,(H,31,33)(H,32,38)
SMILES: Cc1cc(CC(CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCCCC2)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Ring2][S][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][C][C][C][C][Ring1][=Branch1][=C][C][C][=N][NH1][C][Ring2][Ring2][#Branch1][=Ring1][Branch1]
InChI: InChI=1S/C31H38N6O3/c1-21-15-22(17-25-19-32-34-29(21)25)16-24(30(39)36-11-5-2-6-12-36)18-28(38)35-13-9-26(10-14-35)37-20-23-7-3-4-8-27(23)33-31(37)40/h3-4,7-8,15,17,19,24,26H,2,5-6,9-14,16,18,20H2,1H3,(H,32,34)(H,33,40)
SMILES: O=C1Nc2ccccc2C2(CCN(C(=O)CC(Cc3ccc4[nH]ncc4c3)C(=O)N3CCC(N4CCCCC4)CC3)CC2)O1
SELFIES: [O][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Branch1][Branch2][C][C][N][Branch2][Ring2][=N][C][=Branch1][C][=O][C][C][Branch1][#C][C][C][=C][C][=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][C][C][Ring2][Ring2][C][O][Ring2][Ring2][O]
InChI: InChI=1S/C34H42N6O4/c41-31(39-18-12-34(13-19-39)28-6-2-3-7-30(28)36-33(43)44-34)22-25(20-24-8-9-29-26(21-24)23-35-37-29)32(42)40-16-10-27(11-17-40)38-14-4-1-5-15-38/h2-3,6-9,21,23,25,27H,1,4-5,10-20,22H2,(H,35,37)(H,36,43)
SMILES: O=C1Nc2ccccc2C2(CCN(C(=O)CC(Cc3ccc4[nH]ncc4c3)C(=O)N3CCC4(CC3)OCCO4)CC2)O1
SELFIES: [O][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Branch1][=Branch1][C][C][N][Branch2][Ring2][O][C][=Branch1][C][=O][C][C][Branch1][#C][C][C][=C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][C][Ring2][Ring1][S][O][Ring2][Ring2][=Branch2]
InChI: InChI=1S/C31H35N5O6/c37-27(35-11-7-30(8-12-35)24-3-1-2-4-26(24)33-29(39)42-30)19-22(17-21-5-6-25-23(18-21)20-32-34-25)28(38)36-13-9-31(10-14-36)40-15-16-41-31/h1-6,18,20,22H,7-17,19H2,(H,32,34)(H,33,39)
SMILES: O=C(CC(Cc1ccc2[nH]ncc2c1)C(=O)N1CCC2(CC1)OCCO2)N1CCC(N2Cc3ccccc3NC2=O)CC1
SELFIES: [O][=C][Branch2][Ring2][#Branch1][C][C][Branch1][#C][C][C][=C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][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/C32H38N6O5/c39-29(36-11-7-26(8-12-36)38-21-23-3-1-2-4-27(23)34-31(38)41)19-24(17-22-5-6-28-25(18-22)20-33-35-28)30(40)37-13-9-32(10-14-37)42-15-16-43-32/h1-6,18,20,24,26H,7-17,19,21H2,(H,33,35)(H,34,41)
SMILES: CN(C)C(=O)C(CC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)Cc1ccc2[nH]ncc2c1
SELFIES: [C][N][Branch1][C][C][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][N][=C][C][Ring1][Branch1][=C][Ring1][=Branch2]
InChI: InChI=1S/C27H32N6O3/c1-31(2)26(35)20(13-18-7-8-24-21(14-18)16-28-30-24)15-25(34)32-11-9-22(10-12-32)33-17-19-5-3-4-6-23(19)29-27(33)36/h3-8,14,16,20,22H,9-13,15,17H2,1-2H3,(H,28,30)(H,29,36)
SMILES: CC(C)(C)OC(=O)n1ncc2cc(CC(CC(=O)N3CCC(N4Cc5ccccc5NC4=O)CC3)C(=O)N3CCC(N4CCCCC4)CC3)ccc21
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][N][=C][C][=C][C][Branch2][Branch1][#Branch2][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][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][=C][C][=C][Ring2][Ring2][#Branch2][Ring2][Ring2][=N]
InChI: InChI=1S/C40H53N7O5/c1-40(2,3)52-39(51)47-35-12-11-28(24-31(35)26-41-47)23-30(37(49)45-21-13-32(14-22-45)43-17-7-4-8-18-43)25-36(48)44-19-15-33(16-20-44)46-27-29-9-5-6-10-34(29)42-38(46)50/h5-6,9-12,24,26,30,32-33H,4,7-8,13-23,25,27H2,1-3H3,(H,42,50)
SMILES: C#CCNC(=O)C(CC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)Cc1cc(C)c2[nH]ncc2c1
SELFIES: [C][#C][C][N][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][Branch1][C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][#Branch2]
InChI: InChI=1S/C29H32N6O3/c1-3-10-30-28(37)22(14-20-13-19(2)27-23(15-20)17-31-33-27)16-26(36)34-11-8-24(9-12-34)35-18-21-6-4-5-7-25(21)32-29(35)38/h1,4-7,13,15,17,22,24H,8-12,14,16,18H2,2H3,(H,30,37)(H,31,33)(H,32,38)
SMILES: CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)C(=O)OCc1ccccc1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C@@H1][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][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C29H36N4O6/c1-29(2,3)39-28(37)31-24(26(35)38-19-20-9-5-4-6-10-20)17-25(34)32-15-13-22(14-16-32)33-18-21-11-7-8-12-23(21)30-27(33)36/h4-12,22,24H,13-19H2,1-3H3,(H,30,36)(H,31,37)/t24-/m0/s1
SMILES: CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C@@H1][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][O]
InChI: InChI=1S/C22H30N4O6/c1-22(2,3)32-21(31)24-17(19(28)29)12-18(27)25-10-8-15(9-11-25)26-13-14-6-4-5-7-16(14)23-20(26)30/h4-7,15,17H,8-13H2,1-3H3,(H,23,30)(H,24,31)(H,28,29)/t17-/m0/s1
SMILES: CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)C(=O)N1CCC(N2CCCCC2)CC1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C@@H1][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][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N]
InChI: InChI=1S/C32H48N6O5/c1-32(2,3)43-31(42)34-27(29(40)37-19-11-24(12-20-37)35-15-7-4-8-16-35)21-28(39)36-17-13-25(14-18-36)38-22-23-9-5-6-10-26(23)33-30(38)41/h5-6,9-10,24-25,27H,4,7-8,11-22H2,1-3H3,(H,33,41)(H,34,42)/t27-/m0/s1
SMILES: N[C@@H](CC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)C(=O)N1CCC(N2CCCCC2)CC1
SELFIES: [N][C@@H1][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][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N]
InChI: InChI=1S/C27H40N6O3/c28-23(26(35)32-16-8-21(9-17-32)30-12-4-1-5-13-30)18-25(34)31-14-10-22(11-15-31)33-19-20-6-2-3-7-24(20)29-27(33)36/h2-3,6-7,21-23H,1,4-5,8-19,28H2,(H,29,36)/t23-/m0/s1
SMILES: O=C(C[C@H](Nc1ccc2[nH]ccc2c1)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1
SELFIES: [O][=C][Branch2][Ring2][=Branch2][C][C@H1][Branch1][#C][N][C][=C][C][=C][NH1][C][=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/C35H45N7O3/c43-33(40-18-13-29(14-19-40)42-24-26-6-2-3-7-31(26)38-35(42)45)23-32(37-27-8-9-30-25(22-27)10-15-36-30)34(44)41-20-11-28(12-21-41)39-16-4-1-5-17-39/h2-3,6-10,15,22,28-29,32,36-37H,1,4-5,11-14,16-21,23-24H2,(H,38,45)/t32-/m0/s1
SMILES: O=C(C[C@H](Nc1cc(Cl)ccc1[N+](=O)[O-])C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1
SELFIES: [O][=C][Branch2][Ring2][=N][C][C@H1][Branch2][Ring1][C][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1][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/C33H42ClN7O5/c34-24-8-9-30(41(45)46)28(20-24)35-29(32(43)39-18-10-25(11-19-39)37-14-4-1-5-15-37)21-31(42)38-16-12-26(13-17-38)40-22-23-6-2-3-7-27(23)36-33(40)44/h2-3,6-9,20,25-26,29,35H,1,4-5,10-19,21-22H2,(H,36,44)/t29-/m0/s1
SMILES: O=C(C[C@H](Nc1cc(Cl)ncn1)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1
SELFIES: [O][=C][Branch2][Ring2][#Branch1][C][C@H1][Branch1][=N][N][C][=C][C][Branch1][C][Cl][=N][C][=N][Ring1][#Branch1][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/C31H41ClN8O3/c32-27-19-28(34-21-33-27)35-26(30(42)39-16-8-23(9-17-39)37-12-4-1-5-13-37)18-29(41)38-14-10-24(11-15-38)40-20-22-6-2-3-7-25(22)36-31(40)43/h2-3,6-7,19,21,23-24,26H,1,4-5,8-18,20H2,(H,36,43)(H,33,34,35)/t26-/m0/s1
SMILES: O=C(C[C@H](Nc1nc(Cl)nc2[nH]cnc12)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1
SELFIES: [O][=C][Branch2][Ring2][=N][C][C@H1][Branch2][Ring1][C][N][C][=N][C][Branch1][C][Cl][=N][C][NH1][C][=N][C][Ring1][#Branch2][=Ring1][Branch1][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/C32H41ClN10O3/c33-31-38-28-27(34-20-35-28)29(39-31)36-25(30(45)42-16-8-22(9-17-42)40-12-4-1-5-13-40)18-26(44)41-14-10-23(11-15-41)43-19-21-6-2-3-7-24(21)37-32(43)46/h2-3,6-7,20,22-23,25H,1,4-5,8-19H2,(H,37,46)(H2,34,35,36,38,39)/t25-/m0/s1
SMILES: Cc1nc(N[C@@H](CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)nc(N)c1[N+](=O)[O-]
SELFIES: [C][C][=N][C][Branch2][Branch1][#Branch2][N][C@@H1][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][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][=N][C][Branch1][C][N][=C][Ring2][Ring2][O][N+1][=Branch1][C][=O][O-1]
InChI: InChI=1S/C32H44N10O5/c1-21-28(42(46)47)29(33)37-31(34-21)35-26(30(44)40-17-9-23(10-18-40)38-13-5-2-6-14-38)19-27(43)39-15-11-24(12-16-39)41-20-22-7-3-4-8-25(22)36-32(41)45/h3-4,7-8,23-24,26H,2,5-6,9-20H2,1H3,(H,36,45)(H3,33,34,35,37)/t26-/m0/s1
SMILES: Cc1nc(N[C@@H](CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)nc(N)c1N
SELFIES: [C][C][=N][C][Branch2][Branch1][#Branch2][N][C@@H1][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][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][=N][C][Branch1][C][N][=C][Ring2][Ring2][O][N]
InChI: InChI=1S/C32H46N10O3/c1-21-28(33)29(34)38-31(35-21)36-26(30(44)41-17-9-23(10-18-41)39-13-5-2-6-14-39)19-27(43)40-15-11-24(12-16-40)42-20-22-7-3-4-8-25(22)37-32(42)45/h3-4,7-8,23-24,26H,2,5-6,9-20,33H2,1H3,(H,37,45)(H3,34,35,36,38)/t26-/m0/s1
SMILES: Cc1nc(N[C@@H](CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)nc2nn[nH]c12
SELFIES: [C][C][=N][C][Branch2][Branch1][#Branch2][N][C@@H1][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][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][=N][C][N][=N][NH1][C][Ring2][Ring2][=N][=Ring1][Branch1]
InChI: InChI=1S/C32H43N11O3/c1-21-28-29(38-39-37-28)36-31(33-21)34-26(30(45)42-17-9-23(10-18-42)40-13-5-2-6-14-40)19-27(44)41-15-11-24(12-16-41)43-20-22-7-3-4-8-25(22)35-32(43)46/h3-4,7-8,23-24,26H,2,5-6,9-20H2,1H3,(H,35,46)(H2,33,34,36,37,38,39)/t26-/m0/s1
SMILES: O=C(C[C@H](NCc1ccccn1)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1
SELFIES: [O][=C][Branch2][Ring2][Branch1][C][C@H1][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][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/C33H45N7O3/c41-31(38-18-13-28(14-19-38)40-24-25-8-2-3-10-29(25)36-33(40)43)22-30(35-23-26-9-4-5-15-34-26)32(42)39-20-11-27(12-21-39)37-16-6-1-7-17-37/h2-5,8-10,15,27-28,30,35H,1,6-7,11-14,16-24H2,(H,36,43)/t30-/m0/s1
SMILES: O=C(C[C@H](NCc1ccc2[nH]ncc2c1)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1
SELFIES: [O][=C][Branch2][Ring2][#Branch2][C][C@H1][Branch1][S][N][C][C][=C][C][=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/C35H46N8O3/c44-33(41-16-12-29(13-17-41)43-24-26-6-2-3-7-30(26)38-35(43)46)21-32(36-22-25-8-9-31-27(20-25)23-37-39-31)34(45)42-18-10-28(11-19-42)40-14-4-1-5-15-40/h2-3,6-9,20,23,28-29,32,36H,1,4-5,10-19,21-22,24H2,(H,37,39)(H,38,46)/t32-/m0/s1
SMILES: Cc1cccc(CN[C@@H](CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)c1
SELFIES: [C][C][=C][C][=C][C][Branch2][Branch1][O][C][N][C@@H1][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][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][=C][Ring2][Ring2][O]
InChI: InChI=1S/C35H48N6O3/c1-26-8-7-9-27(22-26)24-36-32(34(43)40-20-12-29(13-21-40)38-16-5-2-6-17-38)23-33(42)39-18-14-30(15-19-39)41-25-28-10-3-4-11-31(28)37-35(41)44/h3-4,7-11,22,29-30,32,36H,2,5-6,12-21,23-25H2,1H3,(H,37,44)/t32-/m0/s1
SMILES: O=C(C[C@H](Nc1ccncn1)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1
SELFIES: [O][=C][Branch2][Ring2][Ring2][C][C@H1][Branch1][#Branch2][N][C][=C][C][=N][C][=N][Ring1][=Branch1][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/C31H42N8O3/c40-29(37-16-11-25(12-17-37)39-21-23-6-2-3-7-26(23)35-31(39)42)20-27(34-28-8-13-32-22-33-28)30(41)38-18-9-24(10-19-38)36-14-4-1-5-15-36/h2-3,6-8,13,22,24-25,27H,1,4-5,9-12,14-21H2,(H,35,42)(H,32,33,34)/t27-/m0/s1
SMILES: O=C(C[C@H](NC1CCC(O)CC1)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1
SELFIES: [O][=C][Branch2][Ring2][#Branch1][C][C@H1][Branch1][=N][N][C][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][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/C33H50N6O4/c40-28-10-8-25(9-11-28)34-30(32(42)38-20-12-26(13-21-38)36-16-4-1-5-17-36)22-31(41)37-18-14-27(15-19-37)39-23-24-6-2-3-7-29(24)35-33(39)43/h2-3,6-7,25-28,30,34,40H,1,4-5,8-23H2,(H,35,43)/t25?,28?,30-/m0/s1
SMILES: O=C(C[C@H](NCc1c[nH]cn1)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1
SELFIES: [O][=C][Branch2][Ring2][Ring2][C][C@H1][Branch1][#Branch2][N][C][C][=C][NH1][C][=N][Ring1][Branch1][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/C31H44N8O3/c40-29(37-14-10-26(11-15-37)39-21-23-6-2-3-7-27(23)35-31(39)42)18-28(33-20-24-19-32-22-34-24)30(41)38-16-8-25(9-17-38)36-12-4-1-5-13-36/h2-3,6-7,19,22,25-26,28,33H,1,4-5,8-18,20-21H2,(H,32,34)(H,35,42)/t28-/m0/s1
SMILES: COc1ccc(C(=O)N[C@@H](CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Branch1][=C][C][=Branch1][C][=O][N][C@@H1][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][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][C][=C][Ring2][Ring2][N]
InChI: InChI=1S/C35H46N6O5/c1-46-29-11-9-25(10-12-29)33(43)36-31(34(44)40-21-13-27(14-22-40)38-17-5-2-6-18-38)23-32(42)39-19-15-28(16-20-39)41-24-26-7-3-4-8-30(26)37-35(41)45/h3-4,7-12,27-28,31H,2,5-6,13-24H2,1H3,(H,36,43)(H,37,45)/t31-/m0/s1
SMILES: O=C(N[C@@H](CC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)C(=O)N1CCC(N2CCCCC2)CC1)c1ccc(O)cc1
SELFIES: [O][=C][Branch2][Branch1][#Branch2][N][C@@H1][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][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C34H44N6O5/c41-28-10-8-24(9-11-28)32(43)35-30(33(44)39-20-12-26(13-21-39)37-16-4-1-5-17-37)22-31(42)38-18-14-27(15-19-38)40-23-25-6-2-3-7-29(25)36-34(40)45/h2-3,6-11,26-27,30,41H,1,4-5,12-23H2,(H,35,43)(H,36,45)/t30-/m0/s1
SMILES: O=C(N[C@@H](CC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)C(=O)N1CCC(N2CCCCC2)CC1)c1cc[nH]n1
SELFIES: [O][=C][Branch2][Branch1][#Branch2][N][C@@H1][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][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][C][C][=C][NH1][N][=Ring1][Branch1]
InChI: InChI=1S/C31H42N8O4/c40-28(37-16-11-24(12-17-37)39-21-22-6-2-3-7-25(22)34-31(39)43)20-27(33-29(41)26-8-13-32-35-26)30(42)38-18-9-23(10-19-38)36-14-4-1-5-15-36/h2-3,6-8,13,23-24,27H,1,4-5,9-12,14-21H2,(H,32,35)(H,33,41)(H,34,43)/t27-/m0/s1
SMILES: C.O=C(N[C@@H](CC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)C(=O)N1CCC(N2CCCCC2)CC1)C1CC1
SELFIES: [C].[O][=C][Branch2][Branch1][#Branch2][N][C@@H1][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][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][C][C][C][Ring1][Ring1]
InChI: InChI=1S/C31H44N6O4.CH4/c38-28(35-16-12-25(13-17-35)37-21-23-6-2-3-7-26(23)33-31(37)41)20-27(32-29(39)22-8-9-22)30(40)36-18-10-24(11-19-36)34-14-4-1-5-15-34;/h2-3,6-7,22,24-25,27H,1,4-5,8-21H2,(H,32,39)(H,33,41);1H4/t27-;/m0./s1
SMILES: CCOC(=O)C(CC(=O)OC(C)(C)C)Nc1ccc2[nH]ncc2c1
SELFIES: [C][C][O][C][=Branch1][C][=O][C][Branch1][#C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][=Branch2]
InChI: InChI=1S/C17H23N3O4/c1-5-23-16(22)14(9-15(21)24-17(2,3)4)19-12-6-7-13-11(8-12)10-18-20-13/h6-8,10,14,19H,5,9H2,1-4H3,(H,18,20)
SMILES: CCOC(=O)C(CC(=O)O)Nc1ccc2[nH]ncc2c1
SELFIES: [C][C][O][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][=Branch2]
InChI: InChI=1S/C13H15N3O4/c1-2-20-13(19)11(6-12(17)18)15-9-3-4-10-8(5-9)7-14-16-10/h3-5,7,11,15H,2,6H2,1H3,(H,14,16)(H,17,18)
SMILES: CCOC(=O)C(CC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)Nc1ccc2[nH]ncc2c1
SELFIES: [C][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][N][C][=C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][=Branch2]
InChI: InChI=1S/C26H30N6O4/c1-2-36-25(34)23(28-19-7-8-22-18(13-19)15-27-30-22)14-24(33)31-11-9-20(10-12-31)32-16-17-5-3-4-6-21(17)29-26(32)35/h3-8,13,15,20,23,28H,2,9-12,14,16H2,1H3,(H,27,30)(H,29,35)
SMILES: O=C(O)C(CC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)Nc1ccc2[nH]ncc2c1
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][N][C][=C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][=Branch2]
InChI: InChI=1S/C24H26N6O4/c31-22(12-21(23(32)33)26-17-5-6-20-16(11-17)13-25-28-20)29-9-7-18(8-10-29)30-14-15-3-1-2-4-19(15)27-24(30)34/h1-6,11,13,18,21,26H,7-10,12,14H2,(H,25,28)(H,27,34)(H,32,33)
SMILES: O=C(CC(Nc1ccc2[nH]ncc2c1)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1
SELFIES: [O][=C][Branch2][Ring2][=Branch2][C][C][Branch1][#C][N][C][=C][C][=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/C34H44N8O3/c43-32(40-16-12-28(13-17-40)42-23-24-6-2-3-7-29(24)37-34(42)45)21-31(36-26-8-9-30-25(20-26)22-35-38-30)33(44)41-18-10-27(11-19-41)39-14-4-1-5-15-39/h2-3,6-9,20,22,27-28,31,36H,1,4-5,10-19,21,23H2,(H,35,38)(H,37,45)
SMILES: O=[N+]([O-])c1ccccc1CNC1CCN(Cc2ccccc2)CC1
SELFIES: [O][=N+1][Branch1][C][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N]
InChI: InChI=1S/C19H23N3O2/c23-22(24)19-9-5-4-8-17(19)14-20-18-10-12-21(13-11-18)15-16-6-2-1-3-7-16/h1-9,18,20H,10-15H2
SMILES: Nc1ccccc1CNC1CCN(Cc2ccccc2)CC1
SELFIES: [N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N]
InChI: InChI=1S/C19H25N3/c20-19-9-5-4-8-17(19)14-21-18-10-12-22(13-11-18)15-16-6-2-1-3-7-16/h1-9,18,21H,10-15,20H2
SMILES: O=S1(=O)Nc2ccccc2CN1C1CCN(Cc2ccccc2)CC1
SELFIES: [O][=S][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][O][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N]
InChI: InChI=1S/C19H23N3O2S/c23-25(24)20-19-9-5-4-8-17(19)15-22(25)18-10-12-21(13-11-18)14-16-6-2-1-3-7-16/h1-9,18,20H,10-15H2
SMILES: O=S1(=O)Nc2ccccc2CN1C1CCNCC1
SELFIES: [O][=S][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][O][C][C][C][N][C][C][Ring1][=Branch1]
InChI: InChI=1S/C12H17N3O2S/c16-18(17)14-12-4-2-1-3-10(12)9-15(18)11-5-7-13-8-6-11/h1-4,11,13-14H,5-9H2
SMILES: O=C1Nc2ccc(Br)cc2CN1C1CCNCC1
SELFIES: [O][=C][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][N][Ring1][O][C][C][C][N][C][C][Ring1][=Branch1]
InChI: InChI=1S/C13H16BrN3O/c14-10-1-2-12-9(7-10)8-17(13(18)16-12)11-3-5-15-6-4-11/h1-2,7,11,15H,3-6,8H2,(H,16,18)