EdisonScientific/glyph-datasets huggingface dataset:
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)(C)C)[C@H](C)OC2=O)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Branch1][Ring1][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][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][=Branch2][=O][=C][Ring2][Ring2][Ring1][O]
InChI: InChI=1S/C27H32N2O9/c1-15-22(38-26(34)27(2,3)4)17(13-16-9-7-6-8-10-16)24(32)36-14-18(25(33)37-15)29-23(31)20-21(30)19(35-5)11-12-28-20/h6-12,15,17-18,22,30H,13-14H2,1-5H3,(H,29,31)/t15-,17+,18-,22-/m0/s1
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C3CCCC3)[C@H](C)OC2=O)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Branch1][C][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][=N][O][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][C@H1][Branch1][C][C][O][C][Ring2][Ring1][#Branch2][=O][=C][Ring2][Ring2][Ring2][O]
InChI: InChI=1S/C28H32N2O9/c1-16-24(39-26(33)18-10-6-7-11-18)19(14-17-8-4-3-5-9-17)27(34)37-15-20(28(35)38-16)30-25(32)22-23(31)21(36-2)12-13-29-22/h3-5,8-9,12-13,16,18-20,24,31H,6-7,10-11,14-15H2,1-2H3,(H,30,32)/t16-,19+,20-,24-/m0/s1
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C3C(C)CCCC3C)[C@H](C)OC2=O)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Branch1][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][Branch2][Ring1][C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][C][C][Ring1][#Branch1][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][=N][=O][=C][Ring2][Ring2][#Branch1][O]
InChI: InChI=1S/C31H38N2O9/c1-17-9-8-10-18(2)24(17)31(38)42-27-19(3)41-30(37)22(33-28(35)25-26(34)23(39-4)13-14-32-25)16-40-29(36)21(27)15-20-11-6-5-7-12-20/h5-7,11-14,17-19,21-22,24,27,34H,8-10,15-16H2,1-4H3,(H,33,35)/t17?,18?,19-,21+,22-,24?,27-/m0/s1
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)Cc3ccccc3)[C@H](C)OC2=O)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Branch1][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@@H1][Branch1][#C][O][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][C][C][O][C][Ring2][Ring1][N][=O][=C][Ring2][Ring2][=Branch1][O]
InChI: InChI=1S/C30H30N2O9/c1-18-27(41-24(33)16-20-11-7-4-8-12-20)21(15-19-9-5-3-6-10-19)29(36)39-17-22(30(37)40-18)32-28(35)25-26(34)23(38-2)13-14-31-25/h3-14,18,21-22,27,34H,15-17H2,1-2H3,(H,32,35)/t18-,21+,22-,27-/m0/s1
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)/C=C(\C)CCC=C(C)C)[C@H](C)OC2=O)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Branch1][=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][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O][/C][=C][Branch1][C][\C][C][C][C][=C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][=C][=O][=C][Ring2][Ring2][Branch2][O]
InChI: InChI=1S/C32H38N2O9/c1-19(2)10-9-11-20(3)16-26(35)43-29-21(4)42-32(39)24(34-30(37)27-28(36)25(40-5)14-15-33-27)18-41-31(38)23(29)17-22-12-7-6-8-13-22/h6-8,10,12-16,21,23-24,29,36H,9,11,17-18H2,1-5H3,(H,34,37)/b20-16+/t21-,23+,24-,29-/m0/s1
SMILES: CCCCCCCCCCCCC(=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][C][C][C][C][C][C][C][C][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/C35H48N2O9/c1-4-5-6-7-8-9-10-11-12-16-19-29(38)46-32-24(2)45-35(42)27(37-33(40)30-31(39)28(43-3)20-21-36-30)23-44-34(41)26(32)22-25-17-14-13-15-18-25/h13-15,17-18,20-21,24,26-27,32,39H,4-12,16,19,22-23H2,1-3H3,(H,37,40)/t24-,26+,27-,32-/m0/s1
SMILES: CCCCCCCCCCCCCCCCCC(=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][C][C][C][C][C][C][C][C][C][C][C][C][C][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/C40H58N2O9/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-34(43)51-37-29(2)50-40(47)32(42-38(45)35-36(44)33(48-3)25-26-41-35)28-49-39(46)31(37)27-30-22-19-18-20-23-30/h18-20,22-23,25-26,29,31-32,37,44H,4-17,21,24,27-28H2,1-3H3,(H,42,45)/t29-,31+,32-,37-/m0/s1
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)NC(C)C)[C@H](C)OC2=O)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][P][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][N][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][=Branch2][=O][=C][Ring2][Ring2][Ring1][O]
InChI: InChI=1S/C26H31N3O9/c1-14(2)28-26(34)38-22-15(3)37-25(33)18(29-23(31)20-21(30)19(35-4)10-11-27-20)13-36-24(32)17(22)12-16-8-6-5-7-9-16/h5-11,14-15,17-18,22,30H,12-13H2,1-4H3,(H,28,34)(H,29,31)/t15-,17+,18-,22-/m0/s1
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)NC(C)(C)C)[C@H](C)OC2=O)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Branch1][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@@H1][Branch1][#C][O][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][#Branch2][=O][=C][Ring2][Ring2][Ring2][O]
InChI: InChI=1S/C27H33N3O9/c1-15-22(39-26(35)30-27(2,3)4)17(13-16-9-7-6-8-10-16)24(33)37-14-18(25(34)38-15)29-23(32)20-21(31)19(36-5)11-12-28-20/h6-12,15,17-18,22,31H,13-14H2,1-5H3,(H,29,32)(H,30,35)/t15-,17+,18-,22-/m0/s1
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)OC(C)C)[C@H](C)OC2=O)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][P][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][N][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][=Branch2][=O][=C][Ring2][Ring2][Ring1][O]
InChI: InChI=1S/C26H30N2O10/c1-14(2)36-26(33)38-22-15(3)37-25(32)18(28-23(30)20-21(29)19(34-4)10-11-27-20)13-35-24(31)17(22)12-16-8-6-5-7-9-16/h5-11,14-15,17-18,22,29H,12-13H2,1-4H3,(H,28,30)/t15-,17+,18-,22-/m0/s1
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](CC3CCCC3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][#C][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][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][#Branch1][=O][=C][Ring2][Ring1][P][O]
InChI: InChI=1S/C25H34N2O9/c1-13(2)23(30)36-21-14(3)35-25(32)17(12-34-24(31)16(21)11-15-7-5-6-8-15)27-22(29)19-20(28)18(33-4)9-10-26-19/h9-10,13-17,21,28H,5-8,11-12H2,1-4H3,(H,27,29)/t14-,16+,17-,21-/m0/s1
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Oc3ccccc3)[C@@H](OC(=O)C(C)C)[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][O][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]
InChI: InChI=1S/C25H28N2O10/c1-13(2)23(30)37-20-14(3)35-24(31)16(27-22(29)18-19(28)17(33-4)10-11-26-18)12-34-25(32)21(20)36-15-8-6-5-7-9-15/h5-11,13-14,16,20-21,28H,12H2,1-4H3,(H,27,29)/t14-,16-,20-,21+/m0/s1
SMILES: COc1ccnc(C(=O)Nc2ccc(Cc3cccc(C(F)(F)F)c3)cc2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][Ring1][P][=C][Ring2][Ring1][#Branch2][O]
InChI: InChI=1S/C21H17F3N2O3/c1-29-17-9-10-25-18(19(17)27)20(28)26-16-7-5-13(6-8-16)11-14-3-2-4-15(12-14)21(22,23)24/h2-10,12,27H,11H2,1H3,(H,26,28)
SMILES: COc1ccnc(C(=O)Nc2ccc(C(=O)c3cccc(C(F)(F)F)c3)cc2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][C][=C][Ring2][Ring1][O][O]
InChI: InChI=1S/C21H15F3N2O4/c1-30-16-9-10-25-17(19(16)28)20(29)26-15-7-5-12(6-8-15)18(27)13-3-2-4-14(11-13)21(22,23)24/h2-11,28H,1H3,(H,26,29)
SMILES: COc1ccnc(C(=O)Nc2ccc(C(=O)c3ccc(C(F)(F)F)cc3)cc2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][C][=C][Ring2][Ring1][O][O]
InChI: InChI=1S/C21H15F3N2O4/c1-30-16-10-11-25-17(19(16)28)20(29)26-15-8-4-13(5-9-15)18(27)12-2-6-14(7-3-12)21(22,23)24/h2-11,28H,1H3,(H,26,29)
SMILES: COc1ccnc(C(=O)Nc2ccc(/C(=N/O)c3cccc(C(F)(F)F)c3)cc2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch2][/C][=Branch1][Ring1][=N][/O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][N][O]
InChI: InChI=1S/C21H16F3N3O4/c1-31-16-9-10-25-18(19(16)28)20(29)26-15-7-5-12(6-8-15)17(27-30)13-3-2-4-14(11-13)21(22,23)24/h2-11,28,30H,1H3,(H,26,29)/b27-17-
SMILES: CO/N=C(/c1ccc(NC(=O)c2nccc(OC)c2O)cc1)c1cccc(C(F)(F)F)c1
SELFIES: [C][O][/N][=C][Branch2][Ring1][#C][/C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][=C][Ring2][Ring1][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2]
InChI: InChI=1S/C22H18F3N3O4/c1-31-17-10-11-26-19(20(17)29)21(30)27-16-8-6-13(7-9-16)18(28-32-2)14-4-3-5-15(12-14)22(23,24)25/h3-12,29H,1-2H3,(H,27,30)/b28-18-
SMILES: CO/N=C(/c1ccc(NC(=O)c2nccc(OC)c2O)cc1)c1ccc(C(F)(F)F)cc1
SELFIES: [C][O][/N][=C][Branch2][Ring1][#C][/C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][=C][Ring2][Ring1][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2]
InChI: InChI=1S/C22H18F3N3O4/c1-31-17-11-12-26-19(20(17)29)21(30)27-16-9-5-14(6-10-16)18(28-32-2)13-3-7-15(8-4-13)22(23,24)25/h3-12,29H,1-2H3,(H,27,30)/b28-18+
SMILES: COc1ccnc(C(=O)Nc2ccc(Nc3cccc(C(F)(F)F)c3)cc2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][Ring1][P][=C][Ring2][Ring1][#Branch2][O]
InChI: InChI=1S/C20H16F3N3O3/c1-29-16-9-10-24-17(18(16)27)19(28)26-14-7-5-13(6-8-14)25-15-4-2-3-12(11-15)20(21,22)23/h2-11,25,27H,1H3,(H,26,28)
SMILES: COc1ccnc(C(=O)Nc2ccccc2Oc2ccc(C)cc2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][#Branch1][O]
InChI: InChI=1S/C20H18N2O4/c1-13-7-9-14(10-8-13)26-16-6-4-3-5-15(16)22-20(24)18-19(23)17(25-2)11-12-21-18/h3-12,23H,1-2H3,(H,22,24)
SMILES: COc1ccnc(C(=O)Nc2cccc(Oc3ccccc3C)c2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][=C][Ring2][Ring1][#Branch1][O]
InChI: InChI=1S/C20H18N2O4/c1-13-6-3-4-9-16(13)26-15-8-5-7-14(12-15)22-20(24)18-19(23)17(25-2)10-11-21-18/h3-12,23H,1-2H3,(H,22,24)
SMILES: COc1ccnc(C(=O)Nc2cccc(Oc3cccc(C)c3)c2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=N][O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=C][Ring1][=C][=C][Ring2][Ring1][#Branch1][O]
InChI: InChI=1S/C20H18N2O4/c1-13-5-3-7-15(11-13)26-16-8-4-6-14(12-16)22-20(24)18-19(23)17(25-2)9-10-21-18/h3-12,23H,1-2H3,(H,22,24)
SMILES: COc1ccnc(C(=O)Nc2cccc(Oc3ccc(C)cc3)c2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][Ring1][=C][=C][Ring2][Ring1][#Branch1][O]
InChI: InChI=1S/C20H18N2O4/c1-13-6-8-15(9-7-13)26-16-5-3-4-14(12-16)22-20(24)18-19(23)17(25-2)10-11-21-18/h3-12,23H,1-2H3,(H,22,24)
SMILES: COc1ccnc(C(=O)Nc2ccc(Oc3ccccc3C)cc2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring1][=C][=C][Ring2][Ring1][#Branch1][O]
InChI: InChI=1S/C20H18N2O4/c1-13-5-3-4-6-16(13)26-15-9-7-14(8-10-15)22-20(24)18-19(23)17(25-2)11-12-21-18/h3-12,23H,1-2H3,(H,22,24)
SMILES: COc1ccnc(C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=C][=C][Ring2][Ring1][#Branch1][O]
InChI: InChI=1S/C20H18N2O4/c1-13-4-3-5-16(12-13)26-15-8-6-14(7-9-15)22-20(24)18-19(23)17(25-2)10-11-21-18/h3-12,23H,1-2H3,(H,22,24)
SMILES: COc1ccnc(C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=C][=C][Ring2][Ring1][#Branch1][O]
InChI: InChI=1S/C20H18N2O4/c1-13-3-7-15(8-4-13)26-16-9-5-14(6-10-16)22-20(24)18-19(23)17(25-2)11-12-21-18/h3-12,23H,1-2H3,(H,22,24)
SMILES: COc1ccnc(C(=O)Nc2ccccc2Oc2ccccc2C#N)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][=C][Ring2][Ring1][Branch2][O]
InChI: InChI=1S/C20H15N3O4/c1-26-17-10-11-22-18(19(17)24)20(25)23-14-7-3-5-9-16(14)27-15-8-4-2-6-13(15)12-21/h2-11,24H,1H3,(H,23,25)
SMILES: COc1ccnc(C(=O)Nc2ccccc2Oc2ccc(C#N)cc2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=C][Ring2][Ring1][Branch2][O]
InChI: InChI=1S/C20H15N3O4/c1-26-17-10-11-22-18(19(17)24)20(25)23-15-4-2-3-5-16(15)27-14-8-6-13(12-21)7-9-14/h2-11,24H,1H3,(H,23,25)
SMILES: COc1ccnc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][N][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][C][=C][Ring1][#C][=C][Ring2][Ring1][Branch2][O]
InChI: InChI=1S/C20H15N3O4/c1-26-17-10-11-22-18(19(17)24)20(25)23-14-6-8-15(9-7-14)27-16-5-3-2-4-13(16)12-21/h2-11,24H,1H3,(H,23,25)
SMILES: COc1ccnc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][O][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][C][=C][Ring1][#C][=C][Ring2][Ring1][Branch2][O]
InChI: InChI=1S/C20H15N3O4/c1-26-17-9-10-22-18(19(17)24)20(25)23-14-5-7-15(8-6-14)27-16-4-2-3-13(11-16)12-21/h2-11,24H,1H3,(H,23,25)
SMILES: COc1ccnc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=C][Ring1][#C][=C][Ring2][Ring1][Branch2][O]
InChI: InChI=1S/C20H15N3O4/c1-26-17-10-11-22-18(19(17)24)20(25)23-14-4-8-16(9-5-14)27-15-6-2-13(12-21)3-7-15/h2-11,24H,1H3,(H,23,25)
SMILES: COc1ccnc(C(=O)Nc2cccc(Oc3ccc(C(F)(F)F)cc3)c2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][Ring2][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=C][Ring1][P][=C][Ring2][Ring1][#Branch2][O]
InChI: InChI=1S/C20H15F3N2O4/c1-28-16-9-10-24-17(18(16)26)19(27)25-13-3-2-4-15(11-13)29-14-7-5-12(6-8-14)20(21,22)23/h2-11,26H,1H3,(H,25,27)
SMILES: COc1ccnc(C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)c3)cc2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][Ring1][P][=C][Ring2][Ring1][#Branch2][O]
InChI: InChI=1S/C20H15F3N2O4/c1-28-16-9-10-24-17(18(16)26)19(27)25-13-5-7-14(8-6-13)29-15-4-2-3-12(11-15)20(21,22)23/h2-11,26H,1H3,(H,25,27)
SMILES: COCc1cc(Oc2ccc(C(F)(F)F)cc2)ccc1NC(=O)c1nccc(OC)c1O
SELFIES: [C][O][C][C][=C][C][Branch2][Ring1][Ring2][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=C][C][=C][Ring1][P][N][C][=Branch1][C][=O][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O]
InChI: InChI=1S/C22H19F3N2O5/c1-30-12-13-11-16(32-15-5-3-14(4-6-15)22(23,24)25)7-8-17(13)27-21(29)19-20(28)18(31-2)9-10-26-19/h3-11,28H,12H2,1-2H3,(H,27,29)
SMILES: CCOC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2)ccc1NC(=O)c1nccc(OC)c1O
SELFIES: [C][C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Ring2][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=C][C][=C][Ring1][P][N][C][=Branch1][C][=O][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O]
InChI: InChI=1S/C23H19F3N2O6/c1-3-33-22(31)16-12-15(34-14-6-4-13(5-7-14)23(24,25)26)8-9-17(16)28-21(30)19-20(29)18(32-2)10-11-27-19/h4-12,29H,3H2,1-2H3,(H,28,30)
SMILES: COc1cccc(Oc2ccccc2NC(=O)c2nccc(OC)c2O)c1
SELFIES: [C][O][C][=C][C][=C][C][Branch2][Ring1][N][O][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][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C20H18N2O5/c1-25-13-6-5-7-14(12-13)27-16-9-4-3-8-15(16)22-20(24)18-19(23)17(26-2)10-11-21-18/h3-12,23H,1-2H3,(H,22,24)
SMILES: COc1ccc(Oc2ccccc2NC(=O)c2nccc(OC)c2O)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][N][O][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][=C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C20H18N2O5/c1-25-13-7-9-14(10-8-13)27-16-6-4-3-5-15(16)22-20(24)18-19(23)17(26-2)11-12-21-18/h3-12,23H,1-2H3,(H,22,24)
SMILES: COc1ccccc1Oc1cccc(NC(=O)c2nccc(OC)c2O)c1
SELFIES: [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][=C][Ring2][Ring1][C]
InChI: InChI=1S/C20H18N2O5/c1-25-15-8-3-4-9-16(15)27-14-7-5-6-13(12-14)22-20(24)18-19(23)17(26-2)10-11-21-18/h3-12,23H,1-2H3,(H,22,24)
SMILES: COc1cccc(Oc2cccc(NC(=O)c3nccc(OC)c3O)c2)c1
SELFIES: [C][O][C][=C][C][=C][C][Branch2][Ring1][S][O][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][=C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C20H18N2O5/c1-25-14-6-4-8-16(12-14)27-15-7-3-5-13(11-15)22-20(24)18-19(23)17(26-2)9-10-21-18/h3-12,23H,1-2H3,(H,22,24)
SMILES: COc1ccc(Oc2cccc(NC(=O)c3nccc(OC)c3O)c2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][S][O][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C20H18N2O5/c1-25-14-6-8-15(9-7-14)27-16-5-3-4-13(12-16)22-20(24)18-19(23)17(26-2)10-11-21-18/h3-12,23H,1-2H3,(H,22,24)
SMILES: COc1ccccc1Oc1ccc(NC(=O)c2nccc(OC)c2O)cc1
SELFIES: [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][=C][Ring2][Ring1][C]
InChI: InChI=1S/C20H18N2O5/c1-25-15-5-3-4-6-16(15)27-14-9-7-13(8-10-14)22-20(24)18-19(23)17(26-2)11-12-21-18/h3-12,23H,1-2H3,(H,22,24)
SMILES: COc1cccc(Oc2ccc(NC(=O)c3nccc(OC)c3O)cc2)c1
SELFIES: [C][O][C][=C][C][=C][C][Branch2][Ring1][S][O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][=C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C20H18N2O5/c1-25-15-4-3-5-16(12-15)27-14-8-6-13(7-9-14)22-20(24)18-19(23)17(26-2)10-11-21-18/h3-12,23H,1-2H3,(H,22,24)
SMILES: COc1ccc(Oc2ccc(NC(=O)c3nccc(OC)c3O)cc2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][S][O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C20H18N2O5/c1-25-14-7-9-16(10-8-14)27-15-5-3-13(4-6-15)22-20(24)18-19(23)17(26-2)11-12-21-18/h3-12,23H,1-2H3,(H,22,24)
SMILES: COc1ccnc(C(=O)Nc2ccc(Oc3ccc(OC(=O)C(C)C)cc3)cc2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][=C][C][=C][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C][=C][Ring1][N][C][=C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][N][O]
InChI: InChI=1S/C23H22N2O6/c1-14(2)23(28)31-18-10-8-17(9-11-18)30-16-6-4-15(5-7-16)25-22(27)20-21(26)19(29-3)12-13-24-20/h4-14,26H,1-3H3,(H,25,27)
SMILES: COc1ccnc(C(=O)Nc2ccccc2Oc2cccc(Cl)c2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][Ring2][Ring1][#Branch1][O]
InChI: InChI=1S/C19H15ClN2O4/c1-25-16-9-10-21-17(18(16)23)19(24)22-14-7-2-3-8-15(14)26-13-6-4-5-12(20)11-13/h2-11,23H,1H3,(H,22,24)
SMILES: COc1ccnc(C(=O)Nc2ccccc2Oc2ccc(Cl)cc2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][#Branch1][O]
InChI: InChI=1S/C19H15ClN2O4/c1-25-16-10-11-21-17(18(16)23)19(24)22-14-4-2-3-5-15(14)26-13-8-6-12(20)7-9-13/h2-11,23H,1H3,(H,22,24)
SMILES: COc1ccnc(C(=O)Nc2cccc(Oc3ccccc3Cl)c2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][Ring1][=C][=C][Ring2][Ring1][#Branch1][O]
InChI: InChI=1S/C19H15ClN2O4/c1-25-16-9-10-21-17(18(16)23)19(24)22-12-5-4-6-13(11-12)26-15-8-3-2-7-14(15)20/h2-11,23H,1H3,(H,22,24)
SMILES: COc1ccnc(C(=O)Nc2cccc(Oc3ccc(Cl)cc3)c2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring1][=C][=C][Ring2][Ring1][#Branch1][O]
InChI: InChI=1S/C19H15ClN2O4/c1-25-16-9-10-21-17(18(16)23)19(24)22-13-3-2-4-15(11-13)26-14-7-5-12(20)6-8-14/h2-11,23H,1H3,(H,22,24)
SMILES: COc1ccnc(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring1][=C][=C][Ring2][Ring1][#Branch1][O]
InChI: InChI=1S/C19H15ClN2O4/c1-25-16-10-11-21-17(18(16)23)19(24)22-12-6-8-13(9-7-12)26-15-5-3-2-4-14(15)20/h2-11,23H,1H3,(H,22,24)
SMILES: COc1ccnc(C(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Ring1][=C][=C][Ring2][Ring1][#Branch1][O]
InChI: InChI=1S/C19H15ClN2O4/c1-25-16-9-10-21-17(18(16)23)19(24)22-13-5-7-14(8-6-13)26-15-4-2-3-12(20)11-15/h2-11,23H,1H3,(H,22,24)
SMILES: COc1ccnc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][=C][=C][Ring2][Ring1][#Branch1][O]
InChI: InChI=1S/C19H15ClN2O4/c1-25-16-10-11-21-17(18(16)23)19(24)22-13-4-8-15(9-5-13)26-14-6-2-12(20)3-7-14/h2-11,23H,1H3,(H,22,24)