EdisonScientific/glyph-datasets huggingface dataset:
SMILES: Cc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)OC2CCCCC2)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][C][C][C][Ring1][=Branch1][=C][C][C][=N][NH1][C][Ring2][Ring2][Branch2][=Ring1][Branch1]
InChI: InChI=1S/C31H38N6O4/c1-20-15-21(16-23-18-32-35-28(20)23)17-27(29(38)41-25-8-3-2-4-9-25)34-30(39)36-13-11-24(12-14-36)37-19-22-7-5-6-10-26(22)33-31(37)40/h5-7,10,15-16,18,24-25,27H,2-4,8-9,11-14,17,19H2,1H3,(H,32,35)(H,33,40)(H,34,39)
SMILES: Cc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)OC2CCN(Cc3ccccc3)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][O][C][C][C][N][Branch1][#Branch2][C][C][=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/C37H43N7O4/c1-25-19-27(20-29-22-38-41-34(25)29)21-33(35(45)48-31-13-15-42(16-14-31)23-26-7-3-2-4-8-26)40-36(46)43-17-11-30(12-18-43)44-24-28-9-5-6-10-32(28)39-37(44)47/h2-10,19-20,22,30-31,33H,11-18,21,23-24H2,1H3,(H,38,41)(H,39,47)(H,40,46)
SMILES: Cc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)OC2CCN(C)CC2)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][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][C][C][=N][NH1][C][Ring2][Ring2][=Branch2][=Ring1][Branch1]
InChI: InChI=1S/C31H39N7O4/c1-20-15-21(16-23-18-32-35-28(20)23)17-27(29(39)42-25-9-11-36(2)12-10-25)34-30(40)37-13-7-24(8-14-37)38-19-22-5-3-4-6-26(22)33-31(38)41/h3-6,15-16,18,24-25,27H,7-14,17,19H2,1-2H3,(H,32,35)(H,33,41)(H,34,40)
SMILES: Cc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)OC2CCC(c3ccccc3)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][C][Branch1][=Branch2][C][=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/C37H42N6O4/c1-24-19-25(20-29-22-38-41-34(24)29)21-33(35(44)47-31-13-11-27(12-14-31)26-7-3-2-4-8-26)40-36(45)42-17-15-30(16-18-42)43-23-28-9-5-6-10-32(28)39-37(43)46/h2-10,19-20,22,27,30-31,33H,11-18,21,23H2,1H3,(H,38,41)(H,39,46)(H,40,45)
SMILES: Cc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)O[C@H](C)c2ccncc2)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@H1][Branch1][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][C][=N][NH1][C][Ring2][Ring2][#Branch2][=Ring1][Branch1]
InChI: InChI=1S/C32H35N7O4/c1-20-15-22(16-25-18-34-37-29(20)25)17-28(30(40)43-21(2)23-7-11-33-12-8-23)36-31(41)38-13-9-26(10-14-38)39-19-24-5-3-4-6-27(24)35-32(39)42/h3-8,11-12,15-16,18,21,26,28H,9-10,13-14,17,19H2,1-2H3,(H,34,37)(H,35,42)(H,36,41)/t21-,28?/m1/s1
SMILES: Cc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)O[C@@H](C)c2ccncc2)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@@H1][Branch1][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][C][=N][NH1][C][Ring2][Ring2][#Branch2][=Ring1][Branch1]
InChI: InChI=1S/C32H35N7O4/c1-20-15-22(16-25-18-34-37-29(20)25)17-28(30(40)43-21(2)23-7-11-33-12-8-23)36-31(41)38-13-9-26(10-14-38)39-19-24-5-3-4-6-27(24)35-32(39)42/h3-8,11-12,15-16,18,21,26,28H,9-10,13-14,17,19H2,1-2H3,(H,34,37)(H,35,42)(H,36,41)/t21-,28?/m0/s1
SMILES: Cc1cc(Br)cc(Cl)c1/N=N/SC(C)(C)C
SELFIES: [C][C][=C][C][Branch1][C][Br][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][/N][=N][/S][C][Branch1][C][C][Branch1][C][C][C]
InChI: InChI=1S/C11H14BrClN2S/c1-7-5-8(12)6-9(13)10(7)14-15-16-11(2,3)4/h5-6H,1-4H3/b15-14+
SMILES: Clc1cc(Br)cc2cn[nH]c12
SELFIES: [Cl][C][=C][C][Branch1][C][Br][=C][C][C][=N][NH1][C][Ring1][#Branch2][=Ring1][Branch1]
InChI: InChI=1S/C7H4BrClN2/c8-5-1-4-3-10-11-7(4)6(9)2-5/h1-3H,(H,10,11)
SMILES: O=Cc1cc(Cl)c2[nH]ncc2c1
SELFIES: [O][=C][C][=C][C][Branch1][C][Cl][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][#Branch2]
InChI: InChI=1S/C8H5ClN2O/c9-7-2-5(4-12)1-6-3-10-11-8(6)7/h1-4H,(H,10,11)
SMILES: COC(=O)/C(=C/c1cc(Cl)c2[nH]ncc2c1)NC(=O)OCc1ccccc1
SELFIES: [C][O][C][=Branch1][C][=O][/C][=Branch2][Ring1][C][=C][/C][=C][C][Branch1][C][Cl][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C19H16ClN3O4/c1-26-18(24)16(22-19(25)27-11-12-5-3-2-4-6-12)9-13-7-14-10-21-23-17(14)15(20)8-13/h2-10H,11H2,1H3,(H,21,23)(H,22,25)/b16-9-
SMILES: COC(=O)C(N)Cc1cc(Cl)c2[nH]ncc2c1
SELFIES: [C][O][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=C][C][Branch1][C][Cl][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][#Branch2]
InChI: InChI=1S/C11H12ClN3O2/c1-17-11(16)9(13)4-6-2-7-5-14-15-10(7)8(12)3-6/h2-3,5,9H,4,13H2,1H3,(H,14,15)
SMILES: COC(=O)C(Cc1cc(Cl)c2[nH]ncc2c1)NC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1
SELFIES: [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][C][C][C][=C][C][Branch1][C][Cl][=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/C25H27ClN6O4/c1-36-23(33)21(12-15-10-17-13-27-30-22(17)19(26)11-15)29-24(34)31-8-6-18(7-9-31)32-14-16-4-2-3-5-20(16)28-25(32)35/h2-5,10-11,13,18,21H,6-9,12,14H2,1H3,(H,27,30)(H,28,35)(H,29,34)
SMILES: O=C(NC(Cc1cc(Cl)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][Cl][=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/C34H43ClN8O3/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: CCc1cc(Br)cc(C)c1N
SELFIES: [C][C][C][=C][C][Branch1][C][Br][=C][C][Branch1][C][C][=C][Ring1][Branch2][N]
InChI: InChI=1S/C9H12BrN/c1-3-7-5-8(10)4-6(2)9(7)11/h4-5H,3,11H2,1-2H3
SMILES: CCc1cc(Br)cc(C)c1/N=N/SC(C)(C)C
SELFIES: [C][C][C][=C][C][Branch1][C][Br][=C][C][Branch1][C][C][=C][Ring1][Branch2][/N][=N][/S][C][Branch1][C][C][Branch1][C][C][C]
InChI: InChI=1S/C13H19BrN2S/c1-6-10-8-11(14)7-9(2)12(10)15-16-17-13(3,4)5/h7-8H,6H2,1-5H3/b16-15+
SMILES: CCc1cc(Br)cc2cn[nH]c12
SELFIES: [C][C][C][=C][C][Branch1][C][Br][=C][C][C][=N][NH1][C][Ring1][#Branch2][=Ring1][Branch1]
InChI: InChI=1S/C9H9BrN2/c1-2-6-3-8(10)4-7-5-11-12-9(6)7/h3-5H,2H2,1H3,(H,11,12)
SMILES: CCc1cc(C=O)cc2cn[nH]c12
SELFIES: [C][C][C][=C][C][Branch1][Ring1][C][=O][=C][C][C][=N][NH1][C][Ring1][O][=Ring1][Branch1]
InChI: InChI=1S/C10H10N2O/c1-2-8-3-7(6-13)4-9-5-11-12-10(8)9/h3-6H,2H2,1H3,(H,11,12)
SMILES: CCc1cc(/C=C(\NC(=O)OCc2ccccc2)C(=O)OC)cc2cn[nH]c12
SELFIES: [C][C][C][=C][C][Branch2][Ring1][#Branch2][/C][=C][Branch1][S][\N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][C][=N][NH1][C][Ring2][Ring1][#Branch2][=Ring1][Branch1]
InChI: InChI=1S/C21H21N3O4/c1-3-16-9-15(10-17-12-22-24-19(16)17)11-18(20(25)27-2)23-21(26)28-13-14-7-5-4-6-8-14/h4-12H,3,13H2,1-2H3,(H,22,24)(H,23,26)/b18-11-
SMILES: CCc1cc(CC(N)C(=O)OC)cc2cn[nH]c12
SELFIES: [C][C][C][=C][C][Branch1][N][C][C][Branch1][C][N][C][=Branch1][C][=O][O][C][=C][C][C][=N][NH1][C][Ring1][S][=Ring1][Branch1]
InChI: InChI=1S/C13H17N3O2/c1-3-9-4-8(6-11(14)13(17)18-2)5-10-7-15-16-12(9)10/h4-5,7,11H,3,6,14H2,1-2H3,(H,15,16)
SMILES: CCc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)OC)cc2cn[nH]c12
SELFIES: [C][C][C][=C][C][Branch2][Ring2][#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][=C][C][C][=N][NH1][C][Ring2][Ring2][Ring1][=Ring1][Branch1]
InChI: InChI=1S/C27H32N6O4/c1-3-18-12-17(13-20-15-28-31-24(18)20)14-23(25(34)37-2)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)
SMILES: CCc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[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][C][=N][NH1][C][Ring2][Ring2][=N][=Ring1][Branch1]
InChI: InChI=1S/C36H48N8O3/c1-2-26-20-25(21-28-23-37-40-33(26)28)22-32(34(45)42-16-10-29(11-17-42)41-14-6-3-7-15-41)39-35(46)43-18-12-30(13-19-43)44-24-27-8-4-5-9-31(27)38-36(44)47/h4-5,8-9,20-21,23,29-30,32H,2-3,6-7,10-19,22,24H2,1H3,(H,37,40)(H,38,47)(H,39,46)
SMILES: O=[N+]([O-])c1ccc(CO)cc1[N+](=O)[O-]
SELFIES: [O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2][N+1][=Branch1][C][=O][O-1]
InChI: InChI=1S/C7H6N2O5/c10-4-5-1-2-6(8(11)12)7(3-5)9(13)14/h1-3,10H,4H2
SMILES: O=Cc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1
SELFIES: [O][=C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][N]
InChI: InChI=1S/C7H4N2O5/c10-4-5-1-2-6(8(11)12)7(3-5)9(13)14/h1-4H
SMILES: COC(=O)/C(=C/c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1)NC(=O)OCc1ccccc1
SELFIES: [C][O][C][=Branch1][C][=O][/C][=Branch2][Ring1][Branch2][=C][/C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][N][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C18H15N3O8/c1-28-17(22)14(19-18(23)29-11-12-5-3-2-4-6-12)9-13-7-8-15(20(24)25)16(10-13)21(26)27/h2-10H,11H2,1H3,(H,19,23)/b14-9-
SMILES: COC(=O)/C(=C/c1ccc([N+](=O)[O-])c(O)c1)NC(=O)OCc1ccccc1
SELFIES: [C][O][C][=Branch1][C][=O][/C][=Branch2][Ring1][Ring2][=C][/C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][C][O][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C18H16N2O7/c1-26-17(22)14(9-13-7-8-15(20(24)25)16(21)10-13)19-18(23)27-11-12-5-3-2-4-6-12/h2-10,21H,11H2,1H3,(H,19,23)/b14-9-
SMILES: COC(=O)[C@@H](Cc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1)NC(=O)OCc1ccccc1
SELFIES: [C][O][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][Branch2][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][N][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C18H17N3O8/c1-28-17(22)14(19-18(23)29-11-12-5-3-2-4-6-12)9-13-7-8-15(20(24)25)16(10-13)21(26)27/h2-8,10,14H,9,11H2,1H3,(H,19,23)/t14-/m1/s1
SMILES: COC(=O)[C@@H](Cc1ccc([N+](=O)[O-])c(O)c1)NC(=O)OCc1ccccc1
SELFIES: [C][O][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][C][O][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C18H18N2O7/c1-26-17(22)14(9-13-7-8-15(20(24)25)16(21)10-13)19-18(23)27-11-12-5-3-2-4-6-12/h2-8,10,14,21H,9,11H2,1H3,(H,19,23)/t14-/m1/s1
SMILES: COC(=O)[C@@H](Cc1ccc(N)c(N)c1)NC(=O)OCc1ccccc1
SELFIES: [C][O][C][=Branch1][C][=O][C@@H1][Branch1][S][C][C][=C][C][=C][Branch1][C][N][C][Branch1][C][N][=C][Ring1][Branch2][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C18H21N3O4/c1-24-17(22)16(10-13-7-8-14(19)15(20)9-13)21-18(23)25-11-12-5-3-2-4-6-12/h2-9,16H,10-11,19-20H2,1H3,(H,21,23)/t16-/m1/s1
SMILES: COC(=O)[C@@H](Cc1ccc2[nH]c(C)nc2c1)NC(=O)OCc1ccccc1
SELFIES: [C][O][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][C][C][C][=C][C][=C][NH1][C][Branch1][C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C20H21N3O4/c1-13-21-16-9-8-15(10-17(16)22-13)11-18(19(24)26-2)23-20(25)27-12-14-6-4-3-5-7-14/h3-10,18H,11-12H2,1-2H3,(H,21,22)(H,23,25)/t18-/m1/s1
SMILES: COC(=O)[C@@H](Cc1ccc2[nH]c(=O)oc2c1)NC(=O)OCc1ccccc1
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][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C19H18N2O6/c1-25-17(22)15(21-18(23)26-11-12-5-3-2-4-6-12)9-13-7-8-14-16(10-13)27-19(24)20-14/h2-8,10,15H,9,11H2,1H3,(H,20,24)(H,21,23)/t15-/m1/s1
SMILES: COC(=O)[C@H](N)Cc1ccc2[nH]c(=O)oc2c1
SELFIES: [C][O][C][=Branch1][C][=O][C@H1][Branch1][C][N][C][C][=C][C][=C][NH1][C][=Branch1][C][=O][O][C][Ring1][=Branch1][=C][Ring1][#Branch2]
InChI: InChI=1S/C11H12N2O4/c1-16-10(14)7(12)4-6-2-3-8-9(5-6)17-11(15)13-8/h2-3,5,7H,4,12H2,1H3,(H,13,15)/t7-/m1/s1
SMILES: COC(=O)[C@@H](Cc1ccc2[nH]nnc2c1)NC(=O)OCc1ccccc1
SELFIES: [C][O][C][=Branch1][C][=O][C@@H1][Branch1][#C][C][C][=C][C][=C][NH1][N][=N][C][Ring1][Branch1][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C18H18N4O4/c1-25-17(23)16(10-13-7-8-14-15(9-13)21-22-20-14)19-18(24)26-11-12-5-3-2-4-6-12/h2-9,16H,10-11H2,1H3,(H,19,24)(H,20,21,22)/t16-/m1/s1
SMILES: COC(=O)[C@H](N)Cc1ccc2[nH]nnc2c1
SELFIES: [C][O][C][=Branch1][C][=O][C@H1][Branch1][C][N][C][C][=C][C][=C][NH1][N][=N][C][Ring1][Branch1][=C][Ring1][=Branch2]
InChI: InChI=1S/C10H12N4O2/c1-16-10(15)7(11)4-6-2-3-8-9(5-6)13-14-12-8/h2-3,5,7H,4,11H2,1H3,(H,12,13,14)/t7-/m1/s1
SMILES: COC(=O)[C@@H](Cc1ccc2c(c1)CC(=O)N2)NC(=O)OCc1ccccc1
SELFIES: [C][O][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][Ring2][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Ring1][#Branch1][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C20H20N2O5/c1-26-19(24)17(22-20(25)27-12-13-5-3-2-4-6-13)10-14-7-8-16-15(9-14)11-18(23)21-16/h2-9,17H,10-12H2,1H3,(H,21,23)(H,22,25)/t17-/m1/s1
SMILES: COC(=O)[C@H](N)Cc1ccc2c(c1)CC(=O)N2
SELFIES: [C][O][C][=Branch1][C][=O][C@H1][Branch1][C][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Ring1][#Branch1]
InChI: InChI=1S/C12H14N2O3/c1-17-12(16)9(13)5-7-2-3-10-8(4-7)6-11(15)14-10/h2-4,9H,5-6,13H2,1H3,(H,14,15)/t9-/m1/s1
SMILES: COC(=O)C(Cn1ccc(OCc2ccccc2)cc1=O)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
SELFIES: [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][#Branch1][C][N][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Ring1][=C][=O][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]
InChI: InChI=1S/C26H34N2O8/c1-25(2,3)35-23(31)28(24(32)36-26(4,5)6)20(22(30)33-7)16-27-14-13-19(15-21(27)29)34-17-18-11-9-8-10-12-18/h8-15,20H,16-17H2,1-7H3
SMILES: CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C(Cn1ccc(OCc2ccccc2)cc1=O)C(=O)N1CCC(N2CCCCC2)CC1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Branch2][Ring1][#Branch1][C][N][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Ring1][=C][=O][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/C35H50N4O7/c1-34(2,3)45-32(42)39(33(43)46-35(4,5)6)29(31(41)37-20-15-27(16-21-37)36-18-11-8-12-19-36)24-38-22-17-28(23-30(38)40)44-25-26-13-9-7-10-14-26/h7,9-10,13-14,17,22-23,27,29H,8,11-12,15-16,18-21,24-25H2,1-6H3
SMILES: O=C(NC(Cn1ccc(OCc2ccccc2)cc1=O)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1
SELFIES: [O][=C][Branch2][Branch1][C][N][C][Branch2][Ring1][#Branch1][C][N][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Ring1][=C][=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/C39H49N7O5/c47-36-25-33(51-28-29-9-3-1-4-10-29)17-24-45(36)27-35(37(48)43-20-13-31(14-21-43)42-18-7-2-8-19-42)41-38(49)44-22-15-32(16-23-44)46-26-30-11-5-6-12-34(30)40-39(46)50/h1,3-6,9-12,17,24-25,31-32,35H,2,7-8,13-16,18-23,26-28H2,(H,40,50)(H,41,49)
SMILES: O=C(NC(Cn1ccc(O)cc1=O)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1
SELFIES: [O][=C][Branch2][Ring2][Branch2][N][C][Branch1][=C][C][N][C][=C][C][Branch1][C][O][=C][C][Ring1][#Branch1][=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/C32H43N7O5/c40-26-12-19-38(29(41)20-26)22-28(30(42)36-15-8-24(9-16-36)35-13-4-1-5-14-35)34-31(43)37-17-10-25(11-18-37)39-21-23-6-2-3-7-27(23)33-32(39)44/h2-3,6-7,12,19-20,24-25,28,40H,1,4-5,8-11,13-18,21-22H2,(H,33,44)(H,34,43)
SMILES: COC(=O)C(CN1CCC(O)CC1)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
SELFIES: [C][O][C][=Branch1][C][=O][C][Branch1][=N][C][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]
InChI: InChI=1S/C19H34N2O7/c1-18(2,3)27-16(24)21(17(25)28-19(4,5)6)14(15(23)26-7)12-20-10-8-13(22)9-11-20/h13-14,22H,8-12H2,1-7H3
SMILES: CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C(CN1CCC(O)CC1)C(=O)N1CCC(N2CCCCC2)CC1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][=N][C][N][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]
InChI: InChI=1S/C28H50N4O6/c1-27(2,3)37-25(35)32(26(36)38-28(4,5)6)23(20-29-16-12-22(33)13-17-29)24(34)31-18-10-21(11-19-31)30-14-8-7-9-15-30/h21-23,33H,7-20H2,1-6H3
SMILES: NC(CN1CCC(O)CC1)C(=O)N1CCC(N2CCCCC2)CC1
SELFIES: [N][C][Branch1][=N][C][N][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]
InChI: InChI=1S/C18H34N4O2/c19-17(14-20-10-6-16(23)7-11-20)18(24)22-12-4-15(5-13-22)21-8-2-1-3-9-21/h15-17,23H,1-14,19H2
SMILES: CC(C)(C)OC(=O)NC(CN1CCC(O)CC1)C(=O)N1CCC(N2CCCCC2)CC1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][Branch1][=N][C][N][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]
InChI: InChI=1S/C23H42N4O4/c1-23(2,3)31-22(30)24-20(17-25-13-9-19(28)10-14-25)21(29)27-15-7-18(8-16-27)26-11-5-4-6-12-26/h18-20,28H,4-17H2,1-3H3,(H,24,30)
SMILES: CC(C)(C)OC(=O)NC(CN1CCC(=O)CC1)C(=O)N1CCC(N2CCCCC2)CC1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][Branch1][=N][C][N][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]
InChI: InChI=1S/C23H40N4O4/c1-23(2,3)31-22(30)24-20(17-25-13-9-19(28)10-14-25)21(29)27-15-7-18(8-16-27)26-11-5-4-6-12-26/h18,20H,4-17H2,1-3H3,(H,24,30)
SMILES: NC(CN1CCC(=O)CC1)C(=O)N1CCC(N2CCCCC2)CC1
SELFIES: [N][C][Branch1][=N][C][N][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]
InChI: InChI=1S/C18H32N4O2/c19-17(14-20-10-6-16(23)7-11-20)18(24)22-12-4-15(5-13-22)21-8-2-1-3-9-21/h15,17H,1-14,19H2
SMILES: O=C(NC(CN1CCC(O)CC1)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1
SELFIES: [O][=C][Branch2][Ring2][#Branch1][N][C][Branch1][=N][C][N][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/C32H49N7O4/c40-27-12-16-35(17-13-27)23-29(30(41)37-18-8-25(9-19-37)36-14-4-1-5-15-36)34-31(42)38-20-10-26(11-21-38)39-22-24-6-2-3-7-28(24)33-32(39)43/h2-3,6-7,25-27,29,40H,1,4-5,8-23H2,(H,33,43)(H,34,42)
SMILES: CN(C)/C=C1\CN(C(=O)OC(C)(C)C)CCC1=O
SELFIES: [C][N][Branch1][C][C][/C][=C][\C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][=N][=O]
InChI: InChI=1S/C13H22N2O3/c1-13(2,3)18-12(17)15-7-6-11(16)10(9-15)8-14(4)5/h8H,6-7,9H2,1-5H3/b10-8+
SMILES: CC(C)(C)OC(=O)N1CCc2[nH]ncc2C1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][NH1][N][=C][C][=Ring1][Branch1][C][Ring1][=Branch2]
InChI: InChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-5-4-9-8(7-14)6-12-13-9/h6H,4-5,7H2,1-3H3,(H,12,13)
SMILES: COC(=O)C(CN1CCc2[nH]ncc2C1)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
SELFIES: [C][O][C][=Branch1][C][=O][C][Branch1][#C][C][N][C][C][C][NH1][N][=C][C][=Ring1][Branch1][C][Ring1][=Branch2][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]
InChI: InChI=1S/C20H32N4O6/c1-19(2,3)29-17(26)24(18(27)30-20(4,5)6)15(16(25)28-7)12-23-9-8-14-13(11-23)10-21-22-14/h10,15H,8-9,11-12H2,1-7H3,(H,21,22)
SMILES: COC(=O)C(N)CN1CCc2[nH]ncc2C1
SELFIES: [C][O][C][=Branch1][C][=O][C][Branch1][C][N][C][N][C][C][C][NH1][N][=C][C][=Ring1][Branch1][C][Ring1][=Branch2]
InChI: InChI=1S/C10H16N4O2/c1-16-10(15)8(11)6-14-3-2-9-7(5-14)4-12-13-9/h4,8H,2-3,5-6,11H2,1H3,(H,12,13)
SMILES: CC(C)(C)OC(=O)N1CCC(=O)C(C)(C)C1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch2]
InChI: InChI=1S/C12H21NO3/c1-11(2,3)16-10(15)13-7-6-9(14)12(4,5)8-13/h6-8H2,1-5H3
SMILES: CN(C)/C=C1\CN(C(=O)OC(C)(C)C)CC(C)(C)C1=O
SELFIES: [C][N][Branch1][C][C][/C][=C][\C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][#C][=O]
InChI: InChI=1S/C15H26N2O3/c1-14(2,3)20-13(19)17-9-11(8-16(6)7)12(18)15(4,5)10-17/h8H,9-10H2,1-7H3/b11-8+
SMILES: CC(C)(C)OC(=O)N1Cc2cn[nH]c2C(C)(C)C1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][=N][NH1][C][=Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C][Ring1][O]
InChI: InChI=1S/C13H21N3O2/c1-12(2,3)18-11(17)16-7-9-6-14-15-10(9)13(4,5)8-16/h6H,7-8H2,1-5H3,(H,14,15)
SMILES: CC1(C)CNCc2cn[nH]c21
SELFIES: [C][C][Branch1][C][C][C][N][C][C][C][=N][NH1][C][=Ring1][Branch1][Ring1][#Branch2]
InChI: InChI=1S/C8H13N3/c1-8(2)5-9-3-6-4-10-11-7(6)8/h4,9H,3,5H2,1-2H3,(H,10,11)
SMILES: COC(=O)C(CN1Cc2cn[nH]c2C(C)(C)C1)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
SELFIES: [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][Branch1][C][N][C][C][C][=N][NH1][C][=Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C][Ring1][O][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]
InChI: InChI=1S/C22H36N4O6/c1-20(2,3)31-18(28)26(19(29)32-21(4,5)6)15(17(27)30-9)12-25-11-14-10-23-24-16(14)22(7,8)13-25/h10,15H,11-13H2,1-9H3,(H,23,24)
SMILES: COC(=O)C(N)CN1Cc2cn[nH]c2C(C)(C)C1
SELFIES: [C][O][C][=Branch1][C][=O][C][Branch1][C][N][C][N][C][C][C][=N][NH1][C][=Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C][Ring1][O]
InChI: InChI=1S/C12H20N4O2/c1-12(2)7-16(6-9(13)11(17)18-3)5-8-4-14-15-10(8)12/h4,9H,5-7,13H2,1-3H3,(H,14,15)