EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCCO[C@@H]1[C@@H](OCCC)[C@H](OCCC)CO[C@H]1NC(=O)c1nccc(OC)c1O
SELFIES: [C][C][C][O][C@@H1][C@@H1][Branch1][Branch1][O][C][C][C][C@H1][Branch1][Branch1][O][C][C][C][C][O][C@H1][Ring1][=C][N][C][=Branch1][C][=O][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O]
InChI: InChI=1S/C21H34N2O7/c1-5-10-27-15-13-30-21(19(29-12-7-3)18(15)28-11-6-2)23-20(25)16-17(24)14(26-4)8-9-22-16/h8-9,15,18-19,21,24H,5-7,10-13H2,1-4H3,(H,23,25)/t15-,18+,19-,21-/m1/s1
SMILES: COc1ccnc(C(=O)N[C@@H]2OC[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)c1O
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]
InChI: InChI=1S/C33H34N2O7/c1-38-26-17-18-34-28(29(26)36)32(37)35-33-31(41-21-25-15-9-4-10-16-25)30(40-20-24-13-7-3-8-14-24)27(22-42-33)39-19-23-11-5-2-6-12-23/h2-18,27,30-31,33,36H,19-22H2,1H3,(H,35,37)/t27-,30+,31-,33-/m1/s1
SMILES: COc1ccnc(C(=O)N[C@H]2O[C@@H](C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C@H1][O][C@@H1][Branch1][C][C][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Ring1][#C][O][C][Branch1][C][C][=O][=C][Ring2][Ring1][N][O]
InChI: InChI=1S/C19H24N2O10/c1-8-15(29-9(2)22)16(30-10(3)23)17(31-11(4)24)19(28-8)21-18(26)13-14(25)12(27-5)6-7-20-13/h6-8,15-17,19,25H,1-5H3,(H,21,26)/t8-,15+,16+,17-,19-/m0/s1
SMILES: COc1ccnc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C@@H1][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][Ring1][C][O][O][C@@H1][Ring1][#Branch2][O][=C][Ring2][Ring1][Ring2][O]
InChI: InChI=1S/C13H18N2O8/c1-22-5-2-3-14-7(9(5)17)12(20)15-8-11(19)10(18)6(4-16)23-13(8)21/h2-3,6,8,10-11,13,16-19,21H,4H2,1H3,(H,15,20)/t6-,8-,10-,11-,13+/m1/s1
SMILES: COc1ccnc(C(=O)N[C@H]2[C@@H](OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][=C][C][=Branch1][C][=O][N][C@H1][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][O][C@H1][Branch1][Branch2][C][O][C][Branch1][C][C][=O][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Ring2][Ring1][Ring1][O][C][Branch1][C][C][=O][=C][Ring2][Ring1][S][O]
InChI: InChI=1S/C21H26N2O12/c1-9(24)31-8-14-18(32-10(2)25)19(33-11(3)26)16(21(35-14)34-12(4)27)23-20(29)15-17(28)13(30-5)6-7-22-15/h6-7,14,16,18-19,21,28H,8H2,1-5H3,(H,23,29)/t14-,16-,18-,19-,21+/m1/s1
SMILES: COc1ccnc(C(=O)N[C@@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)O)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][=Branch1][C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][=Branch1][C][=O][O][=C][Ring2][Ring1][N][O]
InChI: InChI=1S/C23H22N2O6/c1-30-19-11-12-24-20(21(19)26)22(27)25-18(23(28)29)13-15-7-9-17(10-8-15)31-14-16-5-3-2-4-6-16/h2-12,18,26H,13-14H2,1H3,(H,25,27)(H,28,29)/t18-/m0/s1
SMILES: COC(=O)[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1nccc(OC)c1O
SELFIES: [C][O][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][=Branch1][C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][N][C][=Branch1][C][=O][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O]
InChI: InChI=1S/C24H24N2O6/c1-30-20-12-13-25-21(22(20)27)23(28)26-19(24(29)31-2)14-16-8-10-18(11-9-16)32-15-17-6-4-3-5-7-17/h3-13,19,27H,14-15H2,1-2H3,(H,26,28)/t19-/m1/s1
SMILES: COc1ccnc(C(=O)N[C@@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)OCc2ccccc2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][=N][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][=Branch1][C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring2][Ring1][O]
InChI: InChI=1S/C30H28N2O6/c1-36-26-16-17-31-27(28(26)33)29(34)32-25(30(35)38-20-23-10-6-3-7-11-23)18-21-12-14-24(15-13-21)37-19-22-8-4-2-5-9-22/h2-17,25,33H,18-20H2,1H3,(H,32,34)/t25-/m0/s1
SMILES: COC(=O)C(CO)NC(=O)c1nccc(OC)c1O
SELFIES: [C][O][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O]
InChI: InChI=1S/C11H14N2O6/c1-18-7-3-4-12-8(9(7)15)10(16)13-6(5-14)11(17)19-2/h3-4,6,14-15H,5H2,1-2H3,(H,13,16)
SMILES: COc1ccnc(C(=O)N[C@@H](COCc2ccccc2)C(=O)OC(C)[C@H](OC(=O)C(C)C)[C@H](Cc2ccccc2)C(=O)OCc2ccccc2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][=Branch1][Ring2][C][=Branch1][C][=O][N][C@@H1][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][C@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring2][P][O]
InChI: InChI=1S/C40H44N2O10/c1-26(2)38(45)52-36(31(22-28-14-8-5-9-15-28)39(46)50-24-30-18-12-7-13-19-30)27(3)51-40(47)32(25-49-23-29-16-10-6-11-17-29)42-37(44)34-35(43)33(48-4)20-21-41-34/h5-21,26-27,31-32,36,43H,22-25H2,1-4H3,(H,42,44)/t27?,31-,32-,36-/m0/s1
SMILES: COC(=O)C(COC(=O)C(C)c1ccccc1)NC(=O)c1nccc(OC)c1O
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]
InChI: InChI=1S/C20H22N2O7/c1-12(13-7-5-4-6-8-13)19(25)29-11-14(20(26)28-3)22-18(24)16-17(23)15(27-2)9-10-21-16/h4-10,12,14,23H,11H2,1-3H3,(H,22,24)
SMILES: COC(=O)C(COC(=O)CCc1ccccc1)NC(=O)c1nccc(OC)c1O
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]
InChI: InChI=1S/C20H22N2O7/c1-27-15-10-11-21-17(18(15)24)19(25)22-14(20(26)28-2)12-29-16(23)9-8-13-6-4-3-5-7-13/h3-7,10-11,14,24H,8-9,12H2,1-2H3,(H,22,25)
SMILES: COC(=O)C(COC(=O)C(C)Cc1ccccc1)NC(=O)c1nccc(OC)c1O
SELFIES: [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][Ring2][C][O][C][=Branch1][C][=O][C][Branch1][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]
InChI: InChI=1S/C21H24N2O7/c1-13(11-14-7-5-4-6-8-14)20(26)30-12-15(21(27)29-3)23-19(25)17-18(24)16(28-2)9-10-22-17/h4-10,13,15,24H,11-12H2,1-3H3,(H,23,25)
SMILES: COC(=O)C(COC(=O)COCc1ccccc1)NC(=O)c1nccc(OC)c1O
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]
InChI: InChI=1S/C20H22N2O8/c1-27-15-8-9-21-17(18(15)24)19(25)22-14(20(26)28-2)11-30-16(23)12-29-10-13-6-4-3-5-7-13/h3-9,14,24H,10-12H2,1-2H3,(H,22,25)
SMILES: COC(=O)C(COC(=O)CC(C)OC(=O)C(C)C)NC(=O)c1nccc(OC)c1O
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]
InChI: InChI=1S/C19H26N2O9/c1-10(2)18(25)30-11(3)8-14(22)29-9-12(19(26)28-5)21-17(24)15-16(23)13(27-4)6-7-20-15/h6-7,10-12,23H,8-9H2,1-5H3,(H,21,24)
SMILES: COC(=O)C(COC(=O)C(COC(=O)C(C)C)Cc1ccccc1)NC(=O)c1nccc(OC)c1O
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]
InChI: InChI=1S/C25H30N2O9/c1-15(2)23(30)35-13-17(12-16-8-6-5-7-9-16)24(31)36-14-18(25(32)34-4)27-22(29)20-21(28)19(33-3)10-11-26-20/h5-11,15,17-18,28H,12-14H2,1-4H3,(H,27,29)
SMILES: COc1ccnc(C(=O)NC(COC(=O)C(C)Cc2ccccc2)C(=O)OC(C)C)c1O
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]
InChI: InChI=1S/C23H28N2O7/c1-14(2)32-23(29)17(25-21(27)19-20(26)18(30-4)10-11-24-19)13-31-22(28)15(3)12-16-8-6-5-7-9-16/h5-11,14-15,17,26H,12-13H2,1-4H3,(H,25,27)
SMILES: COc1ccnc(C(=O)NC(COC(=O)CC(C)OC(=O)C(C)C)C(=O)OC(C)C)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][N][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][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=C][Ring2][Ring1][=N][O]
InChI: InChI=1S/C21H30N2O9/c1-11(2)20(27)32-13(5)9-16(24)30-10-14(21(28)31-12(3)4)23-19(26)17-18(25)15(29-6)7-8-22-17/h7-8,11-14,25H,9-10H2,1-6H3,(H,23,26)
SMILES: COc1ccnc(C(=O)NC(COC(=O)CC(C)OC(=O)CCc2ccccc2)C(=O)OC(C)C)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][=C][C][=Branch1][C][=O][N][C][Branch2][Ring1][O][C][O][C][=Branch1][C][=O][C][C][Branch1][C][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][=C][Ring2][Ring2][C][O]
InChI: InChI=1S/C26H32N2O9/c1-16(2)36-26(33)19(28-25(32)23-24(31)20(34-4)12-13-27-23)15-35-22(30)14-17(3)37-21(29)11-10-18-8-6-5-7-9-18/h5-9,12-13,16-17,19,31H,10-11,14-15H2,1-4H3,(H,28,32)
SMILES: COc1ccnc(C(=O)NC(COC(=O)C(Cc2ccccc2)C(C)OC(=O)C(C)C)C(=O)OC(C)C)c1O
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]
InChI: InChI=1S/C28H36N2O9/c1-16(2)26(33)39-18(5)20(14-19-10-8-7-9-11-19)27(34)37-15-21(28(35)38-17(3)4)30-25(32)23-24(31)22(36-6)12-13-29-23/h7-13,16-18,20-21,31H,14-15H2,1-6H3,(H,30,32)
SMILES: COc1ccnc(C(=O)NC(COC(=O)C(Cc2ccccc2)C(C)OC(=O)c2ccccc2)C(=O)OC(C)C)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Branch1][#Branch1][C][=Branch1][C][=O][N][C][Branch2][Ring2][Ring2][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][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=C][Ring2][Ring2][#Branch1][O]
InChI: InChI=1S/C31H34N2O9/c1-19(2)41-31(38)24(33-28(35)26-27(34)25(39-4)15-16-32-26)18-40-30(37)23(17-21-11-7-5-8-12-21)20(3)42-29(36)22-13-9-6-10-14-22/h5-16,19-20,23-24,34H,17-18H2,1-4H3,(H,33,35)
SMILES: COc1ccnc(C(=O)NC(C(=O)OCC(C)C)C(C)OC(=O)C(C)Cc2ccccc2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][#Branch2][C][=Branch1][C][=O][N][C][Branch1][N][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][#C][O]
InChI: InChI=1S/C25H32N2O7/c1-15(2)14-33-25(31)20(27-23(29)21-22(28)19(32-5)11-12-26-21)17(4)34-24(30)16(3)13-18-9-7-6-8-10-18/h6-12,15-17,20,28H,13-14H2,1-5H3,(H,27,29)
SMILES: COc1ccnc(C(=O)NC(C(=O)O[C@@H](C)[C@H](OC(=O)C(C)C)[C@@H](Cc2ccccc2)C(=O)OCc2ccccc2)[C@@H](C)OC(C)=O)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][=Branch1][Ring2][C][=Branch1][C][=O][N][C][Branch2][Ring2][P][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][C@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][C][O][C][Branch1][C][C][=O][=C][Ring2][Ring2][=C][O]
InChI: InChI=1S/C36H42N2O11/c1-21(2)34(42)49-32(27(19-25-13-9-7-10-14-25)35(43)46-20-26-15-11-8-12-16-26)23(4)48-36(44)29(22(3)47-24(5)39)38-33(41)30-31(40)28(45-6)17-18-37-30/h7-18,21-23,27,29,32,40H,19-20H2,1-6H3,(H,38,41)/t22-,23+,27-,29?,32+/m1/s1
SMILES: COc1ccnc(C(=O)NCCCCCCCCCCC(=O)OCCSc2ccccc2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][#C][O]
InChI: InChI=1S/C26H36N2O5S/c1-32-22-16-18-27-24(25(22)30)26(31)28-17-12-7-5-3-2-4-6-11-15-23(29)33-19-20-34-21-13-9-8-10-14-21/h8-10,13-14,16,18,30H,2-7,11-12,15,17,19-20H2,1H3,(H,28,31)
SMILES: COc1ccnc(C(=O)NCCCCCCCCCCC(=O)Oc2cccc(NC(C)=O)c2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][Ring1][#Branch2][=C][Ring2][Ring1][S][O]
InChI: InChI=1S/C26H35N3O6/c1-19(30)29-20-12-11-13-21(18-20)35-23(31)14-9-7-5-3-4-6-8-10-16-28-26(33)24-25(32)22(34-2)15-17-27-24/h11-13,15,17-18,32H,3-10,14,16H2,1-2H3,(H,28,33)(H,29,30)
SMILES: COc1ccnc(C(=O)NCCCCCCCCCCCC(=O)OCCSc2ccccc2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][S][O]
InChI: InChI=1S/C27H38N2O5S/c1-33-23-17-19-28-25(26(23)31)27(32)29-18-13-8-6-4-2-3-5-7-12-16-24(30)34-20-21-35-22-14-10-9-11-15-22/h9-11,14-15,17,19,31H,2-8,12-13,16,18,20-21H2,1H3,(H,29,32)
SMILES: COc1ccnc(C(=O)NCCCCCCCCCCCC(=O)Oc2cccc(NC(C)=O)c2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][Ring1][#Branch2][=C][Ring2][Ring1][P][O]
InChI: InChI=1S/C27H37N3O6/c1-20(31)30-21-13-12-14-22(19-21)36-24(32)15-10-8-6-4-3-5-7-9-11-17-29-27(34)25-26(33)23(35-2)16-18-28-25/h12-14,16,18-19,33H,3-11,15,17H2,1-2H3,(H,29,34)(H,30,31)
SMILES: COc1ccnc(C(=O)NCCCCC(=O)Oc2cccnc2Br)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][N][=C][Ring1][=Branch1][Br][=C][Ring2][Ring1][#Branch1][O]
InChI: InChI=1S/C17H18BrN3O5/c1-25-11-7-10-19-14(15(11)23)17(24)21-8-3-2-6-13(22)26-12-5-4-9-20-16(12)18/h4-5,7,9-10,23H,2-3,6,8H2,1H3,(H,21,24)
SMILES: COc1ccnc(C(=O)NCCCCC(=O)Oc2cccc(NC(C)=O)c2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][Ring1][#Branch2][=C][Ring2][Ring1][#Branch2][O]
InChI: InChI=1S/C20H23N3O6/c1-13(24)23-14-6-5-7-15(12-14)29-17(25)8-3-4-10-22-20(27)18-19(26)16(28-2)9-11-21-18/h5-7,9,11-12,26H,3-4,8,10H2,1-2H3,(H,22,27)(H,23,24)
SMILES: COc1ccnc(C(=O)NCCCCCCCC(=O)Oc2ccc(C)c(Cl)c2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Ring2][Ring1][O][O]
InChI: InChI=1S/C22H27ClN2O5/c1-15-9-10-16(14-17(15)23)30-19(26)8-6-4-3-5-7-12-25-22(28)20-21(27)18(29-2)11-13-24-20/h9-11,13-14,27H,3-8,12H2,1-2H3,(H,25,28)
SMILES: COc1ccnc(C(=O)NC(CC2CCCCC2)C(=O)OC2CCNC2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][C][N][C][Ring1][Branch1][=C][Ring2][Ring1][=Branch2][O]
InChI: InChI=1S/C20H29N3O5/c1-27-16-8-10-22-17(18(16)24)19(25)23-15(11-13-5-3-2-4-6-13)20(26)28-14-7-9-21-12-14/h8,10,13-15,21,24H,2-7,9,11-12H2,1H3,(H,23,25)
SMILES: COc1ccnc(C(=O)NC(C)C(=O)OCCCCCc2ccccc2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch2][O]
InChI: InChI=1S/C21H26N2O5/c1-15(23-20(25)18-19(24)17(27-2)12-13-22-18)21(26)28-14-8-4-7-11-16-9-5-3-6-10-16/h3,5-6,9-10,12-13,15,24H,4,7-8,11,14H2,1-2H3,(H,23,25)
SMILES: COc1ccnc(C(=O)NCC(=O)OCCCCCc2ccccc2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Branch2][O]
InChI: InChI=1S/C20H24N2O5/c1-26-16-11-12-21-18(19(16)24)20(25)22-14-17(23)27-13-7-3-6-10-15-8-4-2-5-9-15/h2,4-5,8-9,11-12,24H,3,6-7,10,13-14H2,1H3,(H,22,25)
SMILES: COc1ccnc(C(=O)NCC(=O)OC2CCCCC2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O][C][C][C][C][C][C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1][O]
InChI: InChI=1S/C15H20N2O5/c1-21-11-7-8-16-13(14(11)19)15(20)17-9-12(18)22-10-5-3-2-4-6-10/h7-8,10,19H,2-6,9H2,1H3,(H,17,20)
SMILES: COc1ccnc(C(=O)NC(CC(N)=O)C(=O)OC/C=C(/C)CCC=C(C)C)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][O][C][/C][=C][Branch1][C][/C][C][C][C][=C][Branch1][C][C][C][=C][Ring2][Ring1][O][O]
InChI: InChI=1S/C21H29N3O6/c1-13(2)6-5-7-14(3)9-11-30-21(28)15(12-17(22)25)24-20(27)18-19(26)16(29-4)8-10-23-18/h6,8-10,15,26H,5,7,11-12H2,1-4H3,(H2,22,25)(H,24,27)/b14-9-
SMILES: COc1ccnc(C(=O)NC(Cc2ccc(OCc3ccccc3)cc2)C(=O)O)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][Branch2][Ring1][=Branch1][C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][=Branch1][C][=O][O][=C][Ring2][Ring1][N][O]
InChI: InChI=1S/C23H22N2O6/c1-30-19-11-12-24-20(21(19)26)22(27)25-18(23(28)29)13-15-7-9-17(10-8-15)31-14-16-5-3-2-4-6-16/h2-12,18,26H,13-14H2,1H3,(H,25,27)(H,28,29)
SMILES: COc1ccnc(C(=O)NC2COC(=O)CC(c3ccccc3)C(=O)OC2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][O][C][=Branch1][C][=O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][P][=C][Ring2][Ring1][#Branch2][O]
InChI: InChI=1S/C20H20N2O7/c1-27-15-7-8-21-17(18(15)24)19(25)22-13-10-28-16(23)9-14(20(26)29-11-13)12-5-3-2-4-6-12/h2-8,13-14,24H,9-11H2,1H3,(H,22,25)
SMILES: COc1ccnc(C(=O)NC2COC(=O)C[C@H](NC(=O)OCc3ccccc3)C(=O)OC2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][N][C][C][O][C][=Branch1][C][=O][C][C@H1][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][#C][O]
InChI: InChI=1S/C22H23N3O9/c1-31-16-7-8-23-18(19(16)27)20(28)24-14-11-32-17(26)9-15(21(29)33-12-14)25-22(30)34-10-13-5-3-2-4-6-13/h2-8,14-15,27H,9-12H2,1H3,(H,24,28)(H,25,30)/t14?,15-/m0/s1
SMILES: COc1ccnc(C(=O)NC2COC(=O)[C@H]3CCCC[C@@H]3C(=O)OC2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][O][C][=Branch1][C][=O][C@H1][C][C][C][C][C@@H1][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][#C][=C][Ring2][Ring1][Branch2][O]
InChI: InChI=1S/C18H22N2O7/c1-25-13-6-7-19-14(15(13)21)16(22)20-10-8-26-17(23)11-4-2-3-5-12(11)18(24)27-9-10/h6-7,10-12,21H,2-5,8-9H2,1H3,(H,20,22)/t11-,12-/m0/s1
SMILES: COc1ccnc(C(=O)NC2CC(=O)OCC(C)COC2=O)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C][O][C][Ring1][O][=O][=C][Ring2][Ring1][Branch1][O]
InChI: InChI=1S/C15H18N2O7/c1-8-6-23-11(18)5-9(15(21)24-7-8)17-14(20)12-13(19)10(22-2)3-4-16-12/h3-4,8-9,19H,5-7H2,1-2H3,(H,17,20)
SMILES: COc1ccnc(C(=O)N[C@H]2CC(=O)OCC(NC(=O)OC(C)(C)C)COC2=O)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C@H1][C][C][=Branch1][C][=O][O][C][C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][O][C][Ring2][Ring1][C][=O][=C][Ring2][Ring1][N][O]
InChI: InChI=1S/C19H25N3O9/c1-19(2,3)31-18(27)21-10-8-29-13(23)7-11(17(26)30-9-10)22-16(25)14-15(24)12(28-4)5-6-20-14/h5-6,10-11,24H,7-9H2,1-4H3,(H,21,27)(H,22,25)/t10?,11-/m0/s1
SMILES: COc1ccnc(C(=O)NC2COC(=O)CC3(CCCCC3)CC(=O)OC2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][O][C][=Branch1][C][=O][C][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][C][=Branch1][C][=O][O][C][Ring1][P][=C][Ring2][Ring1][#Branch2][O]
InChI: InChI=1S/C20H26N2O7/c1-27-14-5-8-21-17(18(14)25)19(26)22-13-11-28-15(23)9-20(6-3-2-4-7-20)10-16(24)29-12-13/h5,8,13,25H,2-4,6-7,9-12H2,1H3,(H,22,26)
SMILES: COc1ccnc(C(=O)N[C@@H]2C(=O)O[C@@H](C)C[C@@H](C)C(=O)O[C@@H]2C)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C@@H1][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][O][C@@H1][Ring1][=N][C][=C][Ring2][Ring1][#Branch1][O]
InChI: InChI=1S/C17H22N2O7/c1-8-7-9(2)25-17(23)12(10(3)26-16(8)22)19-15(21)13-14(20)11(24-4)5-6-18-13/h5-6,8-10,12,20H,7H2,1-4H3,(H,19,21)/t8-,9+,10-,12+/m1/s1
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)C[C@H](C)OC2=O)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][Ring2][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][C@H1][Branch1][C][C][O][C][Ring2][Ring1][C][=O][=C][Ring2][Ring1][N][O]
InChI: InChI=1S/C22H24N2O7/c1-13-10-15(11-14-6-4-3-5-7-14)21(27)30-12-16(22(28)31-13)24-20(26)18-19(25)17(29-2)8-9-23-18/h3-9,13,15-16,25H,10-12H2,1-2H3,(H,24,26)/t13-,15-,16-/m0/s1
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](O)[C@H](C)OC2=O)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][#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][C][O][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Ring1][=O][=C][Ring2][Ring1][=N][O]
InChI: InChI=1S/C22H24N2O8/c1-12-18(25)14(10-13-6-4-3-5-7-13)21(28)31-11-15(22(29)32-12)24-20(27)17-19(26)16(30-2)8-9-23-17/h3-9,12,14-15,18,25-26H,10-11H2,1-2H3,(H,24,27)/t12-,14+,15-,18-/m0/s1
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OCC(C)C)[C@H](C)OC2=O)c1O
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][Branch2][O][C][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][#Branch1][=O][=C][Ring2][Ring1][P][O]
InChI: InChI=1S/C26H32N2O8/c1-15(2)13-34-23-16(3)36-26(32)19(28-24(30)21-22(29)20(33-4)10-11-27-21)14-35-25(31)18(23)12-17-8-6-5-7-9-17/h5-11,15-16,18-19,23,29H,12-14H2,1-4H3,(H,28,30)/t16-,18+,19-,23-/m0/s1
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(C)=O)[C@H](C)OC2=O)c1O
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]
InChI: InChI=1S/C24H26N2O9/c1-13-21(35-14(2)27)16(11-15-7-5-4-6-8-15)23(30)33-12-17(24(31)34-13)26-22(29)19-20(28)18(32-3)9-10-25-19/h4-10,13,16-17,21,28H,11-12H2,1-3H3,(H,26,29)/t13-,16+,17-,21-/m0/s1
SMILES: C=C(C)C(=O)O[C@H]1[C@H](C)OC(=O)[C@@H](NC(=O)c2nccc(OC)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][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=N][C][=C][C][Branch1][Ring1][O][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/C26H28N2O9/c1-14(2)24(31)37-22-15(3)36-26(33)18(28-23(30)20-21(29)19(34-4)10-11-27-20)13-35-25(32)17(22)12-16-8-6-5-7-9-16/h5-11,15,17-18,22,29H,1,12-13H2,2-4H3,(H,28,30)/t15-,17+,18-,22-/m0/s1
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C3CC3)[C@H](C)OC2=O)c1O
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][C][C][Ring1][Ring1][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][=C][Ring2][Ring2][C][O]
InChI: InChI=1S/C26H28N2O9/c1-14-22(37-24(31)16-8-9-16)17(12-15-6-4-3-5-7-15)25(32)35-13-18(26(33)36-14)28-23(30)20-21(29)19(34-2)10-11-27-20/h3-7,10-11,14,16-18,22,29H,8-9,12-13H2,1-2H3,(H,28,30)/t14-,17+,18-,22-/m0/s1