EdisonScientific/glyph-datasets huggingface dataset:
SMILES: COc1ccnc(C(=O)Nc2cccc(Sc3ccc(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][S][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/C20H15F3N2O3S/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(Sc3cccc(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][S][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/C20H15F3N2O3S/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: COc1ccnc(C(=O)Nc2ccc(Sc3ccc(C(F)(F)F)cc3)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][S][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring1][P][=C][Ring2][Ring1][#Branch2][O]
InChI: InChI=1S/C20H15F3N2O3S/c1-28-16-10-11-24-17(18(16)26)19(27)25-13-4-8-15(9-5-13)29-14-6-2-12(3-7-14)20(21,22)23/h2-11,26H,1H3,(H,25,27)
SMILES: COc1ccnc(C(=O)Nc2ccc(OCc3cccc(C(F)(F)F)c3)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][=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/C21H17F3N2O4/c1-29-17-9-10-25-18(19(17)27)20(28)26-15-5-7-16(8-6-15)30-12-13-3-2-4-14(11-13)21(22,23)24/h2-11,27H,12H2,1H3,(H,26,28)
SMILES: COc1ccnc(C(=O)Nc2ccc(OCc3ccc(C(F)(F)F)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][=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/C21H17F3N2O4/c1-29-17-10-11-25-18(19(17)27)20(28)26-15-6-8-16(9-7-15)30-12-13-2-4-14(5-3-13)21(22,23)24/h2-11,27H,12H2,1H3,(H,26,28)
SMILES: COc1ccnc(C(=O)Nc2ccc(C(=O)Nc3cccc(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][C][=O][N][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/c1-31-16-9-10-25-17(18(16)28)20(30)26-14-7-5-12(6-8-14)19(29)27-15-4-2-3-13(11-15)21(22,23)24/h2-11,28H,1H3,(H,26,30)(H,27,29)
SMILES: COc1ccnc(C(=O)Nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][N][O]
InChI: InChI=1S/C21H16F3N3O4/c1-31-16-9-10-25-17(18(16)28)20(30)27-15-4-2-3-12(11-15)19(29)26-14-7-5-13(6-8-14)21(22,23)24/h2-11,28H,1H3,(H,26,29)(H,27,30)
SMILES: COc1ccnc(C(=O)Nc2ccc(C(=O)Oc3cccc(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][C][=O][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/C21H15F3N2O5/c1-30-16-9-10-25-17(18(16)27)19(28)26-14-7-5-12(6-8-14)20(29)31-15-4-2-3-13(11-15)21(22,23)24/h2-11,27H,1H3,(H,26,28)
SMILES: COc1ccnc(C(=O)Nc2ccc(C(=O)Oc3ccc(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][Branch2][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][N][O]
InChI: InChI=1S/C21H15F3N2O5/c1-30-16-10-11-25-17(18(16)27)19(28)26-14-6-2-12(3-7-14)20(29)31-15-8-4-13(5-9-15)21(22,23)24/h2-11,27H,1H3,(H,26,28)
SMILES: COc1ccnc(C(=O)Nc2ccc(NC(=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][N][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][Ring1][=C][Ring2][Ring1][N][O]
InChI: InChI=1S/C21H16F3N3O4/c1-31-16-9-10-25-17(18(16)28)20(30)27-15-7-5-14(6-8-15)26-19(29)12-3-2-4-13(11-12)21(22,23)24/h2-11,28H,1H3,(H,26,29)(H,27,30)
SMILES: COc1ccnc(C(=O)Nc2cccc(NC(=O)c3ccc(C(F)(F)F)cc3)c2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][N][O]
InChI: InChI=1S/C21H16F3N3O4/c1-31-16-9-10-25-17(18(16)28)20(30)27-15-4-2-3-14(11-15)26-19(29)12-5-7-13(8-6-12)21(22,23)24/h2-11,28H,1H3,(H,26,29)(H,27,30)
SMILES: COc1ccnc(C(=O)Nc2cc(C)c(OC(=O)C(C)C)c(C)c2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C][Branch1][C][C][=C][Ring1][=C][=C][Ring2][Ring1][#Branch1][O]
InChI: InChI=1S/C19H22N2O5/c1-10(2)19(24)26-17-11(3)8-13(9-12(17)4)21-18(23)15-16(22)14(25-5)6-7-20-15/h6-10,22H,1-5H3,(H,21,23)
SMILES: COc1ccnc(C(=O)Nc2cc(C)c(OC(=O)c3ccccc3)c(C)c2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring1][P][=C][Ring2][Ring1][#Branch2][O]
InChI: InChI=1S/C22H20N2O5/c1-13-11-16(24-21(26)18-19(25)17(28-3)9-10-23-18)12-14(2)20(13)29-22(27)15-7-5-4-6-8-15/h4-12,25H,1-3H3,(H,24,26)
SMILES: COc1ccnc(C(=O)Nc2cc(C)c(OC(=O)c3ccc(C(F)(F)F)cc3)c(C)c2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][#C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][Branch2][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Branch1][C][C][=C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=C][O]
InChI: InChI=1S/C23H19F3N2O5/c1-12-10-16(28-21(30)18-19(29)17(32-3)8-9-27-18)11-13(2)20(12)33-22(31)14-4-6-15(7-5-14)23(24,25)26/h4-11,29H,1-3H3,(H,28,30)
SMILES: COc1ccnc(C(=O)Nc2ccc(OC3CC(C)(C)CC(C)(C)C3)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][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2][C][=C][Ring1][P][=C][Ring2][Ring1][#Branch2][O]
InChI: InChI=1S/C23H30N2O4/c1-22(2)12-17(13-23(3,4)14-22)29-16-8-6-15(7-9-16)25-21(27)19-20(26)18(28-5)10-11-24-19/h6-11,17,26H,12-14H2,1-5H3,(H,25,27)
SMILES: COc1ccnc(C(=O)Nc2ccc(OC3CC(C)(C)OC(C)(C)C3)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][Branch1][C][C][Branch1][C][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2][C][=C][Ring1][P][=C][Ring2][Ring1][#Branch2][O]
InChI: InChI=1S/C22H28N2O5/c1-21(2)12-16(13-22(3,4)29-21)28-15-8-6-14(7-9-15)24-20(26)18-19(25)17(27-5)10-11-23-18/h6-11,16,25H,12-13H2,1-5H3,(H,24,26)
SMILES: COc1ccnc(C(=O)Nc2cccc(OC3CC(C)(C)OC(C)(C)C3)c2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][=Branch1][O][C][C][C][Branch1][C][C][Branch1][C][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2][=C][Ring1][P][=C][Ring2][Ring1][#Branch2][O]
InChI: InChI=1S/C22H28N2O5/c1-21(2)12-16(13-22(3,4)29-21)28-15-8-6-7-14(11-15)24-20(26)18-19(25)17(27-5)9-10-23-18/h6-11,16,25H,12-13H2,1-5H3,(H,24,26)
SMILES: COc1ccnc(C(=O)Nc2ccc(Oc3cc(C(F)(F)F)ccn3)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][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=N][Ring1][#Branch2][C][=C][Ring1][P][=C][Ring2][Ring1][#Branch2][O]
InChI: InChI=1S/C19H14F3N3O4/c1-28-14-7-9-24-16(17(14)26)18(27)25-12-2-4-13(5-3-12)29-15-10-11(6-8-23-15)19(20,21)22/h2-10,26H,1H3,(H,25,27)
SMILES: COc1ccnc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)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][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2][C][=C][Ring1][P][=C][Ring2][Ring1][#Branch2][O]
InChI: InChI=1S/C19H14F3N3O4/c1-28-14-8-9-23-16(17(14)26)18(27)25-12-3-5-13(6-4-12)29-15-7-2-11(10-24-15)19(20,21)22/h2-10,26H,1H3,(H,25,27)
SMILES: COc1ccnc(C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)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][=N][Ring1][#Branch2][C][=C][Ring1][P][=C][Ring2][Ring1][#Branch2][O]
InChI: InChI=1S/C19H14F3N3O4/c1-28-13-9-10-23-16(17(13)26)18(27)24-11-5-7-12(8-6-11)29-15-4-2-3-14(25-15)19(20,21)22/h2-10,26H,1H3,(H,24,27)
SMILES: COc1ccnc(C(=O)Nc2ccc(Oc3cc(C(F)(F)F)cc(C(F)(F)F)n3)cc2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][#C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=C][O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=C][C][=C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=C][O]
InChI: InChI=1S/C20H13F6N3O4/c1-32-13-6-7-27-16(17(13)30)18(31)28-11-2-4-12(5-3-11)33-15-9-10(19(21,22)23)8-14(29-15)20(24,25)26/h2-9,30H,1H3,(H,28,31)
SMILES: COc1ccnc(C(=O)Nc2ccc(Oc3ccnc(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][=N][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/C19H14F3N3O4/c1-28-14-7-9-24-16(17(14)26)18(27)25-11-2-4-12(5-3-11)29-13-6-8-23-15(10-13)19(20,21)22/h2-10,26H,1H3,(H,25,27)
SMILES: COc1ccnc(C(=O)Nc2ccc(Oc3cc(C(F)(F)F)nc(C(F)(F)F)c3)cc2)c1O
SELFIES: [C][O][C][=C][C][=N][C][Branch2][Ring2][#C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=C][O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C][C][=C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=C][O]
InChI: InChI=1S/C20H13F6N3O4/c1-32-13-6-7-27-16(17(13)30)18(31)28-10-2-4-11(5-3-10)33-12-8-14(19(21,22)23)29-15(9-12)20(24,25)26/h2-9,30H,1H3,(H,28,31)
SMILES: COc1ccnc(C(=O)Nc2ccc(Oc3cc(Cl)nc(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][O][C][=C][C][Branch1][C][Cl][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][C][=C][Ring2][Ring1][C][=C][Ring2][Ring1][O][O]
InChI: InChI=1S/C19H13ClF3N3O4/c1-29-13-6-7-24-16(17(13)27)18(28)25-10-2-4-11(5-3-10)30-12-8-14(19(21,22)23)26-15(20)9-12/h2-9,27H,1H3,(H,25,28)
SMILES: COc1ccnc(C(=O)Nc2ccc(Oc3cc(Oc4ccccc4)ncn3)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][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=N][Ring1][=N][C][=C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][=N][O]
InChI: InChI=1S/C23H18N4O5/c1-30-18-11-12-24-21(22(18)28)23(29)27-15-7-9-17(10-8-15)32-20-13-19(25-14-26-20)31-16-5-3-2-4-6-16/h2-14,28H,1H3,(H,27,29)
SMILES: COc1ccnc(C(=O)Nc2cccc(Oc3ccc(C(F)(F)F)cc3)n2)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][=N][Ring1][P][=C][Ring2][Ring1][#Branch2][O]
InChI: InChI=1S/C19H14F3N3O4/c1-28-13-9-10-23-16(17(13)26)18(27)25-14-3-2-4-15(24-14)29-12-7-5-11(6-8-12)19(20,21)22/h2-10,26H,1H3,(H,24,25,27)
SMILES: COc1ccnc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)cn2)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][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=N][Ring1][P][=C][Ring2][Ring1][#Branch2][O]
InChI: InChI=1S/C19H14F3N3O4/c1-28-14-8-9-23-16(17(14)26)18(27)25-15-7-6-13(10-24-15)29-12-4-2-11(3-5-12)19(20,21)22/h2-10,26H,1H3,(H,24,25,27)
SMILES: COc1ccnc(C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)c3)nc2)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][N][=C][Ring1][P][=C][Ring2][Ring1][#Branch2][O]
InChI: InChI=1S/C19H14F3N3O4/c1-28-14-7-8-23-16(17(14)26)18(27)25-12-5-6-15(24-10-12)29-13-4-2-3-11(9-13)19(20,21)22/h2-10,26H,1H3,(H,25,27)
SMILES: COc1ccnc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)nc2)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][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][=C][Ring1][P][=C][Ring2][Ring1][#Branch2][O]
InChI: InChI=1S/C19H14F3N3O4/c1-28-14-8-9-23-16(17(14)26)18(27)25-12-4-7-15(24-10-12)29-13-5-2-11(3-6-13)19(20,21)22/h2-10,26H,1H3,(H,25,27)
SMILES: CCCC[C@H]1C(=O)OC(C)[C@H](NC(=O)c2cccc(NC(=O)c3nccc(OC)c3O)c2O)C(=O)O[C@@H](C)[C@@H]1OC(=O)CC(C)C
SELFIES: [C][C][C][C][C@H1][C][=Branch1][C][=O][O][C][Branch1][C][C][C@H1][Branch2][Ring2][Branch1][N][C][=Branch1][C][=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][O][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][C@@H1][Ring2][Ring2][Ring1][O][C][=Branch1][C][=O][C][C][Branch1][C][C][C]
InChI: InChI=1S/C32H41N3O11/c1-7-8-10-20-28(46-23(36)15-16(2)3)18(5)45-32(42)24(17(4)44-31(20)41)35-29(39)19-11-9-12-21(26(19)37)34-30(40)25-27(38)22(43-6)13-14-33-25/h9,11-14,16-18,20,24,28,37-38H,7-8,10,15H2,1-6H3,(H,34,40)(H,35,39)/t17?,18-,20+,24-,28-/m0/s1
SMILES: CCOc1ccnc(C(=O)NC2CC(C)(C)CC(C)(C)C2)c1O
SELFIES: [C][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][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2][=C][Ring2][Ring1][Ring1][O]
InChI: InChI=1S/C18H28N2O3/c1-6-23-13-7-8-19-14(15(13)21)16(22)20-12-9-17(2,3)11-18(4,5)10-12/h7-8,12,21H,6,9-11H2,1-5H3,(H,20,22)
SMILES: CCOc1ccnc(C(=O)NC2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1O
SELFIES: [C][C][O][C][=C][C][=N][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C][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]
InChI: InChI=1S/C27H32N2O9/c1-5-35-20-11-12-28-21(22(20)30)24(31)29-19-14-36-26(33)18(13-17-9-7-6-8-10-17)23(16(4)37-27(19)34)38-25(32)15(2)3/h6-12,15-16,18-19,23,30H,5,13-14H2,1-4H3,(H,29,31)/t16-,18+,19?,23-/m0/s1
SMILES: CCOc1ccnc(C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)c3)cc2)c1O
SELFIES: [C][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/C21H17F3N2O4/c1-2-29-17-10-11-25-18(19(17)27)20(28)26-14-6-8-15(9-7-14)30-16-5-3-4-13(12-16)21(22,23)24/h3-12,27H,2H2,1H3,(H,26,28)
SMILES: CSc1ccnc(C(=O)NC2CC(C)(C)CC(C)(C)C2)c1O
SELFIES: [C][S][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]
InChI: InChI=1S/C17H26N2O2S/c1-16(2)8-11(9-17(3,4)10-16)19-15(21)13-14(20)12(22-5)6-7-18-13/h6-7,11,20H,8-10H2,1-5H3,(H,19,21)
SMILES: CSc1ccnc(C(=O)NC2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1O
SELFIES: [C][S][C][=C][C][=N][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C][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]
InChI: InChI=1S/C26H30N2O8S/c1-14(2)24(31)36-22-15(3)35-26(33)18(28-23(30)20-21(29)19(37-4)10-11-27-20)13-34-25(32)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: CSc1ccnc(C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)c3)cc2)c1O
SELFIES: [C][S][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/C20H15F3N2O3S/c1-29-16-9-10-24-17(18(16)26)19(27)25-13-5-7-14(8-6-13)28-15-4-2-3-12(11-15)20(21,22)23/h2-11,26H,1H3,(H,25,27)
SMILES: CC1(C)CC(NC(=O)c2nccc(Cl)c2O)CC(C)(C)C1
SELFIES: [C][C][Branch1][C][C][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=N][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][O][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][Ring2]
InChI: InChI=1S/C16H23ClN2O2/c1-15(2)7-10(8-16(3,4)9-15)19-14(21)12-13(20)11(17)5-6-18-12/h5-6,10,20H,7-9H2,1-4H3,(H,19,21)
SMILES: COc1ccc(O)c(C(=O)NC2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)n1
SELFIES: [C][O][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C][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][=N][Ring2][Ring2][Ring1]
InChI: InChI=1S/C26H30N2O9/c1-14(2)24(31)37-22-15(3)36-26(33)18(27-23(30)21-19(29)10-11-20(28-21)34-4)13-35-25(32)17(22)12-16-8-6-5-7-9-16/h5-11,14-15,17-18,22,29H,12-13H2,1-4H3,(H,27,30)/t15-,17+,18?,22-/m0/s1
SMILES: COc1ccc(CNC(=O)c2nc(Br)ccc2O)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=N][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][=C][Ring2][Ring1][C]
InChI: InChI=1S/C14H13BrN2O3/c1-20-10-4-2-9(3-5-10)8-16-14(19)13-11(18)6-7-12(15)17-13/h2-7,18H,8H2,1H3,(H,16,19)
SMILES: O=C(NCc1ccccn1)c1nc(Br)ccc1O
SELFIES: [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=N][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O]
InChI: InChI=1S/C12H10BrN3O2/c13-10-5-4-9(17)11(16-10)12(18)15-7-8-3-1-2-6-14-8/h1-6,17H,7H2,(H,15,18)
SMILES: O=C(NCc1sccc1Cl)c1nc(Br)ccc1O
SELFIES: [O][=C][Branch1][O][N][C][C][S][C][=C][C][=Ring1][Branch1][Cl][C][=N][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O]
InChI: InChI=1S/C11H8BrClN2O2S/c12-9-2-1-7(16)10(15-9)11(17)14-5-8-6(13)3-4-18-8/h1-4,16H,5H2,(H,14,17)
SMILES: O=C(NCC1CCCc2ccccc21)c1nc(Br)ccc1O
SELFIES: [O][=C][Branch1][P][N][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=N][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O]
InChI: InChI=1S/C17H17BrN2O2/c18-15-9-8-14(21)16(20-15)17(22)19-10-12-6-3-5-11-4-1-2-7-13(11)12/h1-2,4,7-9,12,21H,3,5-6,10H2,(H,19,22)
SMILES: COc1ccc(C(C)NC(=O)c2nc(Br)ccc2O)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=N][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][=C][Ring2][Ring1][Ring1]
InChI: InChI=1S/C15H15BrN2O3/c1-9(10-3-5-11(21-2)6-4-10)17-15(20)14-12(19)7-8-13(16)18-14/h3-9,19H,1-2H3,(H,17,20)
SMILES: CC(NC(=O)c1nc(Br)ccc1O)c1ccc(Cl)cc1
SELFIES: [C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=N][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C14H12BrClN2O2/c1-8(9-2-4-10(16)5-3-9)17-14(20)13-11(19)6-7-12(15)18-13/h2-8,19H,1H3,(H,17,20)
SMILES: CC(NC(=O)c1nc(Br)ccc1O)c1ccc(C(F)(F)F)cc1
SELFIES: [C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=N][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2]
InChI: InChI=1S/C15H12BrF3N2O2/c1-8(9-2-4-10(5-3-9)15(17,18)19)20-14(23)13-11(22)6-7-12(16)21-13/h2-8,22H,1H3,(H,20,23)
SMILES: CCCCCc1ccc(C(C)NC(=O)c2nc(Br)ccc2O)cc1
SELFIES: [C][C][C][C][C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=N][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][=C][Ring2][Ring1][Ring1]
InChI: InChI=1S/C19H23BrN2O2/c1-3-4-5-6-14-7-9-15(10-8-14)13(2)21-19(24)18-16(23)11-12-17(20)22-18/h7-13,23H,3-6H2,1-2H3,(H,21,24)
SMILES: CC(NC(=O)c1nc(Br)ccc1O)c1ccc(Oc2ccccc2)cc1
SELFIES: [C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=N][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N]
InChI: InChI=1S/C20H17BrN2O3/c1-13(22-20(25)19-17(24)11-12-18(21)23-19)14-7-9-16(10-8-14)26-15-5-3-2-4-6-15/h2-13,24H,1H3,(H,22,25)
SMILES: O=C(NC(Cc1ccccc1)c1ccccc1)c1nc(Br)ccc1O
SELFIES: [O][=C][Branch2][Ring1][=Branch1][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O]
InChI: InChI=1S/C20H17BrN2O2/c21-18-12-11-17(24)19(23-18)20(25)22-16(15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h1-12,16,24H,13H2,(H,22,25)
SMILES: O=C(Nc1ccccc1Oc1cccc(C(F)(F)F)c1)c1nc(Br)ccc1O
SELFIES: [O][=C][Branch2][Ring1][=N][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=N][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O]
InChI: InChI=1S/C19H12BrF3N2O3/c20-16-9-8-14(26)17(25-16)18(27)24-13-6-1-2-7-15(13)28-12-5-3-4-11(10-12)19(21,22)23/h1-10,26H,(H,24,27)
SMILES: O=C(Nc1ccccc1Oc1ccc(C(F)(F)F)cc1)c1nc(Br)ccc1O
SELFIES: [O][=C][Branch2][Ring1][=N][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=N][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O]
InChI: InChI=1S/C19H12BrF3N2O3/c20-16-10-9-14(26)17(25-16)18(27)24-13-3-1-2-4-15(13)28-12-7-5-11(6-8-12)19(21,22)23/h1-10,26H,(H,24,27)
SMILES: O=C(Nc1cccc(Oc2ccccc2C(F)(F)F)c1)c1nc(Br)ccc1O
SELFIES: [O][=C][Branch2][Ring1][=C][N][C][=C][C][=C][C][Branch2][Ring1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][P][C][=N][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O]
InChI: InChI=1S/C19H12BrF3N2O3/c20-16-9-8-14(26)17(25-16)18(27)24-11-4-3-5-12(10-11)28-15-7-2-1-6-13(15)19(21,22)23/h1-10,26H,(H,24,27)
SMILES: O=C(Nc1cccc(Oc2cccc(C(F)(F)F)c2)c1)c1nc(Br)ccc1O
SELFIES: [O][=C][Branch2][Ring1][S][N][C][=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][Ring1][P][C][=N][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O]
InChI: InChI=1S/C19H12BrF3N2O3/c20-16-8-7-15(26)17(25-16)18(27)24-12-4-2-6-14(10-12)28-13-5-1-3-11(9-13)19(21,22)23/h1-10,26H,(H,24,27)
SMILES: O=C(Nc1cccc(Oc2ccc(C(F)(F)F)cc2)c1)c1nc(Br)ccc1O
SELFIES: [O][=C][Branch2][Ring1][S][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][=N][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O]
InChI: InChI=1S/C19H12BrF3N2O3/c20-16-9-8-15(26)17(25-16)18(27)24-12-2-1-3-14(10-12)28-13-6-4-11(5-7-13)19(21,22)23/h1-10,26H,(H,24,27)
SMILES: O=C(Nc1ccc(Oc2ccccc2C(F)(F)F)cc1)c1nc(Br)ccc1O
SELFIES: [O][=C][Branch2][Ring1][=C][N][C][=C][C][=C][Branch2][Ring1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][P][C][=N][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O]
InChI: InChI=1S/C19H12BrF3N2O3/c20-16-10-9-14(26)17(25-16)18(27)24-11-5-7-12(8-6-11)28-15-4-2-1-3-13(15)19(21,22)23/h1-10,26H,(H,24,27)