EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(C)C(=O)O[C@H]1[C@H](C)OC(=O)[C@@H](NC(=O)c2cnn(C)c2O)COC(=O)[C@@H]1Cc1ccccc1
SELFIES: [C][C][Branch1][C][C][C][=Branch1][C][=O][O][C@H1][C@H1][Branch1][C][C][O][C][=Branch1][C][=O][C@@H1][Branch1][P][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][O][C][O][C][=Branch1][C][=O][C@@H1][Ring2][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C24H29N3O8/c1-13(2)22(30)35-19-14(3)34-24(32)18(26-20(28)17-11-25-27(4)21(17)29)12-33-23(31)16(19)10-15-8-6-5-7-9-15/h5-9,11,13-14,16,18-19,29H,10,12H2,1-4H3,(H,26,28)/t14-,16+,18-,19-/m0/s1
SMILES: Cn1cc(C(=O)NC2CC(C)(C)CC(C)(C)C2)c(O)n1
SELFIES: [C][N][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2][C][Branch1][C][O][=N][Ring2][Ring1][Ring1]
InChI: InChI=1S/C15H25N3O2/c1-14(2)6-10(7-15(3,4)9-14)16-12(19)11-8-18(5)17-13(11)20/h8,10H,6-7,9H2,1-5H3,(H,16,19)(H,17,20)
SMILES: CC(C)C(=O)O[C@H]1[C@H](C)OC(=O)[C@@H](NC(=O)c2cn(C)nc2O)COC(=O)[C@@H]1Cc1ccccc1
SELFIES: [C][C][Branch1][C][C][C][=Branch1][C][=O][O][C@H1][C@H1][Branch1][C][C][O][C][=Branch1][C][=O][C@@H1][Branch1][P][N][C][=Branch1][C][=O][C][=C][N][Branch1][C][C][N][=C][Ring1][=Branch1][O][C][O][C][=Branch1][C][=O][C@@H1][Ring2][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C24H29N3O8/c1-13(2)22(30)35-19-14(3)34-24(32)18(25-20(28)17-11-27(4)26-21(17)29)12-33-23(31)16(19)10-15-8-6-5-7-9-15/h5-9,11,13-14,16,18-19H,10,12H2,1-4H3,(H,25,28)(H,26,29)/t14-,16+,18-,19-/m0/s1
SMILES: CC1(C)CC(NC(=O)c2cn(-c3ccccc3)nc2O)CC(C)(C)C1
SELFIES: [C][C][Branch1][C][C][C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][O][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][Branch2]
InChI: InChI=1S/C20H27N3O2/c1-19(2)10-14(11-20(3,4)13-19)21-17(24)16-12-23(22-18(16)25)15-8-6-5-7-9-15/h5-9,12,14H,10-11,13H2,1-4H3,(H,21,24)(H,22,25)
SMILES: CC1(C)CC(NC(=O)c2conc2O)CC(C)(C)C1
SELFIES: [C][C][Branch1][C][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][O][N][=C][Ring1][Branch1][O][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][C]
InChI: InChI=1S/C14H22N2O3/c1-13(2)5-9(6-14(3,4)8-13)15-11(17)10-7-19-16-12(10)18/h7,9H,5-6,8H2,1-4H3,(H,15,17)(H,16,18)
SMILES: CC(C)C(=O)O[C@H]1[C@H](C)OC(=O)[C@@H](NC(=O)c2conc2O)COC(=O)[C@@H]1Cc1ccccc1
SELFIES: [C][C][Branch1][C][C][C][=Branch1][C][=O][O][C@H1][C@H1][Branch1][C][C][O][C][=Branch1][C][=O][C@@H1][Branch1][=C][N][C][=Branch1][C][=O][C][=C][O][N][=C][Ring1][Branch1][O][C][O][C][=Branch1][C][=O][C@@H1][Ring2][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C23H26N2O9/c1-12(2)21(28)34-18-13(3)33-23(30)17(24-19(26)16-10-32-25-20(16)27)11-31-22(29)15(18)9-14-7-5-4-6-8-14/h4-8,10,12-13,15,17-18H,9,11H2,1-3H3,(H,24,26)(H,25,27)/t13-,15+,17-,18-/m0/s1
SMILES: CC(C)C(=O)O[C@H]1[C@H](C)OC(=O)[C@@H](NC(=O)c2nc3ccccc3cc2O)COC(=O)[C@@H]1Cc1ccccc1
SELFIES: [C][C][Branch1][C][C][C][=Branch1][C][=O][O][C@H1][C@H1][Branch1][C][C][O][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][O][C][O][C][=Branch1][C][=O][C@@H1][Ring2][Ring1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C29H30N2O8/c1-16(2)27(34)39-25-17(3)38-29(36)22(15-37-28(35)20(25)13-18-9-5-4-6-10-18)31-26(33)24-23(32)14-19-11-7-8-12-21(19)30-24/h4-12,14,16-17,20,22,25,32H,13,15H2,1-3H3,(H,31,33)/t17-,20+,22-,25-/m0/s1
SMILES: CC1(C)CC(NC(=O)c2nc3ccccc3cc2O)CC(C)(C)C1
SELFIES: [C][C][Branch1][C][C][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][O][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][#Branch1]
InChI: InChI=1S/C20H26N2O2/c1-19(2)10-14(11-20(3,4)12-19)21-18(24)17-16(23)9-13-7-5-6-8-15(13)22-17/h5-9,14,23H,10-12H2,1-4H3,(H,21,24)
SMILES: CC(=O)Oc1cccnc1C(=O)NC1CCC(OC(C)=O)CC1
SELFIES: [C][C][=Branch1][C][=O][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][C][Ring1][#Branch2]
InChI: InChI=1S/C16H20N2O5/c1-10(19)22-13-7-5-12(6-8-13)18-16(21)15-14(23-11(2)20)4-3-9-17-15/h3-4,9,12-13H,5-8H2,1-2H3,(H,18,21)
SMILES: O=C(Oc1cccnc1C(=O)NC1CCC(O)CC1)c1ccccc1
SELFIES: [O][=C][Branch2][Ring1][#Branch2][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C19H20N2O4/c22-15-10-8-14(9-11-15)21-18(23)17-16(7-4-12-20-17)25-19(24)13-5-2-1-3-6-13/h1-7,12,14-15,22H,8-11H2,(H,21,23)
SMILES: CC(=O)Oc1cccnc1C(=O)N[C@H]1COC(=O)[C@H](Cc2ccccc2)[C@@H](OC(=O)C(C)C)[C@H](C)OC1=O
SELFIES: [C][C][=Branch1][C][=O][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O]
InChI: InChI=1S/C27H30N2O9/c1-15(2)25(32)38-23-16(3)36-27(34)20(14-35-26(33)19(23)13-18-9-6-5-7-10-18)29-24(31)22-21(37-17(4)30)11-8-12-28-22/h5-12,15-16,19-20,23H,13-14H2,1-4H3,(H,29,31)/t16-,19+,20-,23-/m0/s1
SMILES: COCCC(=O)Oc1cccnc1C(=O)N[C@H]1COC(=O)[C@H](Cc2ccccc2)[C@@H](OC(=O)C(C)C)[C@H](C)OC1=O
SELFIES: [C][O][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O]
InChI: InChI=1S/C29H34N2O10/c1-17(2)27(34)41-25-18(3)39-29(36)21(16-38-28(35)20(25)15-19-9-6-5-7-10-19)31-26(33)24-22(11-8-13-30-24)40-23(32)12-14-37-4/h5-11,13,17-18,20-21,25H,12,14-16H2,1-4H3,(H,31,33)/t18-,20+,21-,25-/m0/s1
SMILES: Cc1ccnc(C(=O)NC2CC(C)(C)CC(C)(C)C2)c1OC(=O)C(C)C
SELFIES: [C][C][=C][C][=N][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2][=C][Ring2][Ring1][Ring1][O][C][=Branch1][C][=O][C][Branch1][C][C][C]
InChI: InChI=1S/C21H32N2O3/c1-13(2)19(25)26-17-14(3)8-9-22-16(17)18(24)23-15-10-20(4,5)12-21(6,7)11-15/h8-9,13,15H,10-12H2,1-7H3,(H,23,24)
SMILES: Cc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1OC(=O)C(C)C
SELFIES: [C][C][=C][C][=N][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][=C][Ring2][Ring2][C][O][C][=Branch1][C][=O][C][Branch1][C][C][C]
InChI: InChI=1S/C30H36N2O9/c1-16(2)27(34)40-24-18(5)12-13-31-23(24)26(33)32-22-15-38-29(36)21(14-20-10-8-7-9-11-20)25(19(6)39-30(22)37)41-28(35)17(3)4/h7-13,16-17,19,21-22,25H,14-15H2,1-6H3,(H,32,33)/t19-,21+,22-,25-/m0/s1
SMILES: COc1ccnc(C(=O)NC2CC(C)(C)CC(C)(C3CC3)C2)c1OC(C)=O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][N][=C][Ring2][Ring1][Branch1][O][C][Branch1][C][C][=O]
InChI: InChI=1S/C21H30N2O4/c1-13(24)27-18-16(26-5)8-9-22-17(18)19(25)23-15-10-20(2,3)12-21(4,11-15)14-6-7-14/h8-9,14-15H,6-7,10-12H2,1-5H3,(H,23,25)
SMILES: COc1ccnc(C(=O)NC2CC(C)(C)CC(C)(C#N)C2)c1OC(C)=O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][Ring1][C][#N][C][Ring1][O][=C][Ring2][Ring1][Ring2][O][C][Branch1][C][C][=O]
InChI: InChI=1S/C19H25N3O4/c1-12(23)26-16-14(25-5)6-7-21-15(16)17(24)22-13-8-18(2,3)10-19(4,9-13)11-20/h6-7,13H,8-10H2,1-5H3,(H,22,24)
SMILES: COc1ccnc(C(=O)NC2CC(C)(C)C(=O)C(C)(C)C2)c1OC(C)=O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][Ring1][O][=C][Ring2][Ring1][Ring2][O][C][Branch1][C][C][=O]
InChI: InChI=1S/C19H26N2O5/c1-11(22)26-15-13(25-6)7-8-20-14(15)16(23)21-12-9-18(2,3)17(24)19(4,5)10-12/h7-8,12H,9-10H2,1-6H3,(H,21,23)
SMILES: COc1ccnc(C(=O)NC2CC(C)(C)C=C[C@@H](C)[C@@H]2C)c1OC(C)=O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C@@H1][Branch1][C][C][C@@H1][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2][O][C][Branch1][C][C][=O]
InChI: InChI=1S/C20H28N2O4/c1-12-7-9-20(4,5)11-15(13(12)2)22-19(24)17-18(26-14(3)23)16(25-6)8-10-21-17/h7-10,12-13,15H,11H2,1-6H3,(H,22,24)/t12-,13+,15?/m1/s1
SMILES: COc1ccnc(C(=O)NC2CC(C)(C)C=CC=C2C)c1OC(C)=O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1][O][C][Branch1][C][C][=O]
InChI: InChI=1S/C19H24N2O4/c1-12-7-6-9-19(3,4)11-14(12)21-18(23)16-17(25-13(2)22)15(24-5)8-10-20-16/h6-10,14H,11H2,1-5H3,(H,21,23)
SMILES: COc1ccnc(C(=O)NC2CC(C)(C)/C=C\CC(C)(C)C2)c1OC(C)=O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][C][/C][=C][\C][C][Branch1][C][C][Branch1][C][C][C][Ring1][N][=C][Ring2][Ring1][Branch1][O][C][Branch1][C][C][=O]
InChI: InChI=1S/C21H30N2O4/c1-14(24)27-18-16(26-6)8-11-22-17(18)19(25)23-15-12-20(2,3)9-7-10-21(4,5)13-15/h7-9,11,15H,10,12-13H2,1-6H3,(H,23,25)/b9-7-
SMILES: COC(=O)C(COC(=O)C(C)c1ccccc1)NC(=O)c1nccc(OC)c1OC(C)=O
SELFIES: [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][Ring1][C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][Branch1][C][C][=O]
InChI: InChI=1S/C22H24N2O8/c1-13(15-8-6-5-7-9-15)21(27)31-12-16(22(28)30-4)24-20(26)18-19(32-14(2)25)17(29-3)10-11-23-18/h5-11,13,16H,12H2,1-4H3,(H,24,26)
SMILES: COCCC(=O)Oc1c(OC)ccnc1C(=O)NC(COC(=O)C(C)c1ccccc1)C(=O)OC
SELFIES: [C][O][C][C][C][=Branch1][C][=O][O][C][=C][Branch1][Ring1][O][C][C][=C][N][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][Branch2][Ring1][Ring1][C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C]
InChI: InChI=1S/C24H28N2O9/c1-15(16-8-6-5-7-9-16)23(29)34-14-17(24(30)33-4)26-22(28)20-21(18(32-3)10-12-25-20)35-19(27)11-13-31-2/h5-10,12,15,17H,11,13-14H2,1-4H3,(H,26,28)
SMILES: COC(=O)C(COC(=O)CCc1ccccc1)NC(=O)c1nccc(OC)c1OC(C)=O
SELFIES: [C][O][C][=Branch1][C][=O][C][Branch1][P][C][O][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][Branch1][C][C][=O]
InChI: InChI=1S/C22H24N2O8/c1-14(25)32-20-17(29-2)11-12-23-19(20)21(27)24-16(22(28)30-3)13-31-18(26)10-9-15-7-5-4-6-8-15/h4-8,11-12,16H,9-10,13H2,1-3H3,(H,24,27)
SMILES: COCCC(=O)Oc1c(OC)ccnc1C(=O)NC(COC(=O)CCc1ccccc1)C(=O)OC
SELFIES: [C][O][C][C][C][=Branch1][C][=O][O][C][=C][Branch1][Ring1][O][C][C][=C][N][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][Branch1][P][C][O][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C]
InChI: InChI=1S/C24H28N2O9/c1-31-14-12-20(28)35-22-18(32-2)11-13-25-21(22)23(29)26-17(24(30)33-3)15-34-19(27)10-9-16-7-5-4-6-8-16/h4-8,11,13,17H,9-10,12,14-15H2,1-3H3,(H,26,29)
SMILES: COC(=O)C(COC(=O)COCc1ccccc1)NC(=O)c1nccc(OC)c1OC(C)=O
SELFIES: [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][C][C][O][C][=Branch1][C][=O][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][Branch1][C][C][=O]
InChI: InChI=1S/C22H24N2O9/c1-14(25)33-20-17(29-2)9-10-23-19(20)21(27)24-16(22(28)30-3)12-32-18(26)13-31-11-15-7-5-4-6-8-15/h4-10,16H,11-13H2,1-3H3,(H,24,27)
SMILES: COC(=O)C(COC(=O)CC(C)OC(=O)C(C)C)NC(=O)c1nccc(OC)c1OC(C)=O
SELFIES: [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch1][C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][Branch1][C][C][=O]
InChI: InChI=1S/C21H28N2O10/c1-11(2)20(27)32-12(3)9-16(25)31-10-14(21(28)30-6)23-19(26)17-18(33-13(4)24)15(29-5)7-8-22-17/h7-8,11-12,14H,9-10H2,1-6H3,(H,23,26)
SMILES: COC(=O)C(COC(=O)C(COC(=O)C(C)C)Cc1ccccc1)NC(=O)c1nccc(OC)c1OC(C)=O
SELFIES: [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][=C][C][O][C][=Branch1][C][=O][C][Branch1][N][C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][Branch1][C][C][=O]
InChI: InChI=1S/C27H32N2O10/c1-16(2)25(32)37-14-19(13-18-9-7-6-8-10-18)26(33)38-15-20(27(34)36-5)29-24(31)22-23(39-17(3)30)21(35-4)11-12-28-22/h6-12,16,19-20H,13-15H2,1-5H3,(H,29,31)
SMILES: COc1ccnc(C(=O)NC(COC(=O)C(C)Cc2ccccc2)C(=O)OC(C)C)c1OC(C)=O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][Branch2][Ring1][Ring2][C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=C][Ring2][Ring1][=N][O][C][Branch1][C][C][=O]
InChI: InChI=1S/C25H30N2O8/c1-15(2)34-25(31)19(14-33-24(30)16(3)13-18-9-7-6-8-10-18)27-23(29)21-22(35-17(4)28)20(32-5)11-12-26-21/h6-12,15-16,19H,13-14H2,1-5H3,(H,27,29)
SMILES: COc1ccnc(C(=O)NC(COC(=O)C(Cc2ccccc2)C(C)OC(=O)C(C)C)C(=O)OC(C)C)c1OC(C)=O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Branch1][Ring2][C][=Branch1][C][=O][N][C][Branch2][Ring1][P][C][O][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=C][Ring2][Ring2][Ring2][O][C][Branch1][C][C][=O]
InChI: InChI=1S/C30H38N2O10/c1-17(2)28(35)41-19(5)22(15-21-11-9-8-10-12-21)29(36)39-16-23(30(37)40-18(3)4)32-27(34)25-26(42-20(6)33)24(38-7)13-14-31-25/h8-14,17-19,22-23H,15-16H2,1-7H3,(H,32,34)
SMILES: COc1ccnc(C(=O)NC(COC(=O)CCc2ccccc2)C(=O)OC(C)COC(=O)C(C)C)c1OC(C)=O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][=N][C][=Branch1][C][=O][N][C][Branch1][P][C][O][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][Ring2][Ring2][C][O][C][Branch1][C][C][=O]
InChI: InChI=1S/C28H34N2O10/c1-17(2)27(34)38-15-18(3)39-28(35)21(16-37-23(32)12-11-20-9-7-6-8-10-20)30-26(33)24-25(40-19(4)31)22(36-5)13-14-29-24/h6-10,13-14,17-18,21H,11-12,15-16H2,1-5H3,(H,30,33)
SMILES: COc1ccnc(C(=O)N[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2CC(C)=O)c1OC(C)=O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][=C][C][=Branch1][C][=O][N][C@@H1][O][C@H1][Branch1][Branch2][C][O][C][Branch1][C][C][=O][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Ring2][Ring1][Ring1][C][C][Branch1][C][C][=O][=C][Ring2][Ring1][S][O][C][Branch1][C][C][=O]
InChI: InChI=1S/C24H30N2O12/c1-11(27)9-16-20(35-13(3)29)22(37-15(5)31)18(10-34-12(2)28)38-24(16)26-23(32)19-21(36-14(4)30)17(33-6)7-8-25-19/h7-8,16,18,20,22,24H,9-10H2,1-6H3,(H,26,32)/t16-,18-,20-,22+,24-/m1/s1
SMILES: COc1ccnc(C(=O)N[C@@H]2OC[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)c1OC(C)=O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][P][C][=Branch1][C][=O][N][C@@H1][O][C][C@@H1][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Ring2][Ring1][=Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring2][#Branch1][O][C][Branch1][C][C][=O]
InChI: InChI=1S/C35H36N2O8/c1-24(38)45-31-28(40-2)18-19-36-30(31)34(39)37-35-33(43-22-27-16-10-5-11-17-27)32(42-21-26-14-8-4-9-15-26)29(23-44-35)41-20-25-12-6-3-7-13-25/h3-19,29,32-33,35H,20-23H2,1-2H3,(H,37,39)/t29-,32+,33-,35-/m1/s1
SMILES: C=C1COC(=O)[C@@H](NC(=O)c2nccc(OC)c2OC(C)=O)COC(=O)C1
SELFIES: [C][=C][C][O][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][Branch1][C][C][=O][C][O][C][=Branch1][C][=O][C][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C17H18N2O8/c1-9-6-13(21)25-8-11(17(23)26-7-9)19-16(22)14-15(27-10(2)20)12(24-3)4-5-18-14/h4-5,11H,1,6-8H2,2-3H3,(H,19,22)/t11-/m0/s1
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(C)=O)[C@H](C)OC2=O)c1OC(C)=O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][N][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Branch1][C][C][O][C][Ring2][Ring1][=Branch1][=O][=C][Ring2][Ring1][S][O][C][Branch1][C][C][=O]
InChI: InChI=1S/C26H28N2O10/c1-14-22(37-15(2)29)18(12-17-8-6-5-7-9-17)25(32)35-13-19(26(33)36-14)28-24(31)21-23(38-16(3)30)20(34-4)10-11-27-21/h5-11,14,18-19,22H,12-13H2,1-4H3,(H,28,31)/t14-,18+,19-,22-/m0/s1
SMILES: CCC(=O)Oc1c(OC)ccnc1C(=O)N[C@H]1COC(=O)[C@H](Cc2ccccc2)[C@@H](OC(=O)C(C)C)[C@H](C)OC1=O
SELFIES: [C][C][C][=Branch1][C][=O][O][C][=C][Branch1][Ring1][O][C][C][=C][N][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O]
InChI: InChI=1S/C29H34N2O10/c1-6-22(32)40-25-21(37-5)12-13-30-23(25)26(33)31-20-15-38-28(35)19(14-18-10-8-7-9-11-18)24(17(4)39-29(20)36)41-27(34)16(2)3/h7-13,16-17,19-20,24H,6,14-15H2,1-5H3,(H,31,33)/t17-,19+,20-,24-/m0/s1
SMILES: CCCC(=O)Oc1c(OC)ccnc1C(=O)N[C@H]1COC(=O)[C@H](Cc2ccccc2)[C@@H](OC(=O)C(C)C)[C@H](C)OC1=O
SELFIES: [C][C][C][C][=Branch1][C][=O][O][C][=C][Branch1][Ring1][O][C][C][=C][N][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O]
InChI: InChI=1S/C30H36N2O10/c1-6-10-23(33)41-26-22(38-5)13-14-31-24(26)27(34)32-21-16-39-29(36)20(15-19-11-8-7-9-12-19)25(18(4)40-30(21)37)42-28(35)17(2)3/h7-9,11-14,17-18,20-21,25H,6,10,15-16H2,1-5H3,(H,32,34)/t18-,20+,21-,25-/m0/s1
SMILES: C/C=C/C(=O)Oc1c(OC)ccnc1C(=O)N[C@H]1COC(=O)[C@H](Cc2ccccc2)[C@@H](OC(=O)C(C)C)[C@H](C)OC1=O
SELFIES: [C][/C][=C][/C][=Branch1][C][=O][O][C][=C][Branch1][Ring1][O][C][C][=C][N][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O]
InChI: InChI=1S/C30H34N2O10/c1-6-10-23(33)41-26-22(38-5)13-14-31-24(26)27(34)32-21-16-39-29(36)20(15-19-11-8-7-9-12-19)25(18(4)40-30(21)37)42-28(35)17(2)3/h6-14,17-18,20-21,25H,15-16H2,1-5H3,(H,32,34)/b10-6+/t18-,20+,21-,25-/m0/s1
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1OC(=O)C1CC1
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][=C][Ring2][Ring2][C][O][C][=Branch1][C][=O][C][C][C][Ring1][Ring1]
InChI: InChI=1S/C30H34N2O10/c1-16(2)27(34)41-24-17(3)40-30(37)21(15-39-29(36)20(24)14-18-8-6-5-7-9-18)32-26(33)23-25(22(38-4)12-13-31-23)42-28(35)19-10-11-19/h5-9,12-13,16-17,19-21,24H,10-11,14-15H2,1-4H3,(H,32,33)/t17-,20+,21-,24-/m0/s1
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1OC(=O)C(C)C
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][=C][Ring2][Ring2][C][O][C][=Branch1][C][=O][C][Branch1][C][C][C]
InChI: InChI=1S/C30H36N2O10/c1-16(2)27(34)41-24-18(5)40-30(37)21(15-39-29(36)20(24)14-19-10-8-7-9-11-19)32-26(33)23-25(42-28(35)17(3)4)22(38-6)12-13-31-23/h7-13,16-18,20-21,24H,14-15H2,1-6H3,(H,32,33)/t18-,20+,21-,24-/m0/s1
SMILES: C=CCCC(=O)Oc1c(OC)ccnc1C(=O)N[C@H]1COC(=O)[C@H](Cc2ccccc2)[C@@H](OC(=O)C(C)C)[C@H](C)OC1=O
SELFIES: [C][=C][C][C][C][=Branch1][C][=O][O][C][=C][Branch1][Ring1][O][C][C][=C][N][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O]
InChI: InChI=1S/C31H36N2O10/c1-6-7-13-24(34)42-27-23(39-5)14-15-32-25(27)28(35)33-22-17-40-30(37)21(16-20-11-9-8-10-12-20)26(19(4)41-31(22)38)43-29(36)18(2)3/h6,8-12,14-15,18-19,21-22,26H,1,7,13,16-17H2,2-5H3,(H,33,35)/t19-,21+,22-,26-/m0/s1
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1OC(=O)C1CCC1
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][=C][Ring2][Ring2][C][O][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2]
InChI: InChI=1S/C31H36N2O10/c1-17(2)28(35)42-25-18(3)41-31(38)22(16-40-30(37)21(25)15-19-9-6-5-7-10-19)33-27(34)24-26(23(39-4)13-14-32-24)43-29(36)20-11-8-12-20/h5-7,9-10,13-14,17-18,20-22,25H,8,11-12,15-16H2,1-4H3,(H,33,34)/t18-,21+,22-,25-/m0/s1
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1OC(=O)C(C)(C)C
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][=C][Ring2][Ring2][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C]
InChI: InChI=1S/C31H38N2O10/c1-17(2)27(35)42-24-18(3)41-29(37)21(16-40-28(36)20(24)15-19-11-9-8-10-12-19)33-26(34)23-25(22(39-7)13-14-32-23)43-30(38)31(4,5)6/h8-14,17-18,20-21,24H,15-16H2,1-7H3,(H,33,34)/t18-,20+,21-,24-/m0/s1
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1OC(=O)CC(C)C
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][=C][Ring2][Ring2][C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][C]
InChI: InChI=1S/C31H38N2O10/c1-17(2)14-24(34)42-27-23(39-6)12-13-32-25(27)28(35)33-22-16-40-30(37)21(15-20-10-8-7-9-11-20)26(19(5)41-31(22)38)43-29(36)18(3)4/h7-13,17-19,21-22,26H,14-16H2,1-6H3,(H,33,35)/t19-,21+,22-,26-/m0/s1
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1OC(=O)C=C(C)C
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][=C][Ring2][Ring2][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][C]
InChI: InChI=1S/C31H36N2O10/c1-17(2)14-24(34)42-27-23(39-6)12-13-32-25(27)28(35)33-22-16-40-30(37)21(15-20-10-8-7-9-11-20)26(19(5)41-31(22)38)43-29(36)18(3)4/h7-14,18-19,21-22,26H,15-16H2,1-6H3,(H,33,35)/t19-,21+,22-,26-/m0/s1