EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2nc(-c3ccc(F)c(F)c3)cs2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][=C][O][C][=C][C][=C][Branch2][Ring2][P][C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=N][C][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][=C][S][Ring1][=N][C][=C][Ring2][Ring1][P][C][=Branch1][C][=O][O]
InChI: InChI=1S/C29H25F5N2O3S/c1-28(2,26(37)38)39-22-10-5-18(6-11-22)13-14-36(16-19-3-8-21(9-4-19)29(32,33)34)27-35-25(17-40-27)20-7-12-23(30)24(31)15-20/h3-12,15,17H,13-14,16H2,1-2H3,(H,37,38)
SMILES: COc1ccccc1-c1csc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(C(F)(F)F)cc2)n1
SELFIES: [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][S][C][Branch2][Ring2][P][N][Branch2][Ring1][#Branch2][C][C][C][=C][C][=C][Branch1][=C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][=N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][Ring2][Ring1][S]
InChI: InChI=1S/C30H29F3N2O4S/c1-29(2,27(36)37)39-23-14-10-20(11-15-23)16-17-35(18-21-8-12-22(13-9-21)30(31,32)33)28-34-25(19-40-28)24-6-4-5-7-26(24)38-3/h4-15,19H,16-18H2,1-3H3,(H,36,37)
SMILES: COc1cccc(-c2csc(N(CCc3ccc(OC(C)(C)C(=O)O)cc3)Cc3ccc(C(F)(F)F)cc3)n2)c1
SELFIES: [C][O][C][=C][C][=C][C][Branch2][Branch1][N][C][=C][S][C][Branch2][Ring2][P][N][Branch2][Ring1][#Branch2][C][C][C][=C][C][=C][Branch1][=C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][=N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][Ring2][Ring1][S][=C][Ring2][Ring2][=Branch1]
InChI: InChI=1S/C30H29F3N2O4S/c1-29(2,27(36)37)39-24-13-9-20(10-14-24)15-16-35(18-21-7-11-23(12-8-21)30(31,32)33)28-34-26(19-40-28)22-5-4-6-25(17-22)38-3/h4-14,17,19H,15-16,18H2,1-3H3,(H,36,37)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2nc(-c3ccc(Cl)cc3)cs2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][O][O][C][=C][C][=C][Branch2][Ring2][=C][C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][S][Ring1][N][C][=C][Ring2][Ring1][S][C][=Branch1][C][=O][O]
InChI: InChI=1S/C29H26ClF3N2O3S/c1-28(2,26(36)37)38-24-13-5-19(6-14-24)15-16-35(17-20-3-9-22(10-4-20)29(31,32)33)27-34-25(18-39-27)21-7-11-23(30)12-8-21/h3-14,18H,15-17H2,1-2H3,(H,36,37)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)c2nc(C(C)(C)C)cs2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][S][O][C][=C][C][=C][Branch2][Branch1][Ring1][C][C][N][Branch2][Ring1][N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][S][Ring1][=Branch2][C][=C][Ring2][Ring1][P][C][=Branch1][C][=O][O]
InChI: InChI=1S/C28H30F6N2O3S/c1-25(2,3)22-16-40-24(35-22)36(13-12-17-6-10-20(11-7-17)39-26(4,5)23(37)38)15-18-8-9-19(27(29,30)31)14-21(18)28(32,33)34/h6-11,14,16H,12-13,15H2,1-5H3,(H,37,38)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)c2nc(C(F)(F)F)cs2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][S][O][C][=C][C][=C][Branch2][Branch1][Ring1][C][C][N][Branch2][Ring1][N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][S][Ring1][=Branch2][C][=C][Ring2][Ring1][P][C][=Branch1][C][=O][O]
InChI: InChI=1S/C25H21F9N2O3S/c1-22(2,20(37)38)39-17-7-3-14(4-8-17)9-10-36(21-35-19(13-40-21)25(32,33)34)12-15-5-6-16(23(26,27)28)11-18(15)24(29,30)31/h3-8,11,13H,9-10,12H2,1-2H3,(H,37,38)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)c2nc(-c3ccccc3Cl)cs2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][P][O][C][=C][C][=C][Branch2][Branch1][Ring2][C][C][N][Branch2][Ring1][N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][S][Ring1][N][C][=C][Ring2][Ring2][Ring2][C][=Branch1][C][=O][O]
InChI: InChI=1S/C30H25ClF6N2O3S/c1-28(2,26(40)41)42-21-11-7-18(8-12-21)13-14-39(27-38-25(17-43-27)22-5-3-4-6-24(22)31)16-19-9-10-20(29(32,33)34)15-23(19)30(35,36)37/h3-12,15,17H,13-14,16H2,1-2H3,(H,40,41)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)c2nc(-c3ccc(F)c(F)c3)cs2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][=Branch1][=Branch1][O][C][=C][C][=C][Branch2][Branch1][=Branch2][C][C][N][Branch2][Ring1][N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][C][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][=C][S][Ring1][=N][C][=C][Ring2][Ring2][Branch1][C][=Branch1][C][=O][O]
InChI: InChI=1S/C30H24F8N2O3S/c1-28(2,26(41)42)43-21-8-3-17(4-9-21)11-12-40(27-39-25(16-44-27)18-6-10-23(31)24(32)13-18)15-19-5-7-20(29(33,34)35)14-22(19)30(36,37)38/h3-10,13-14,16H,11-12,15H2,1-2H3,(H,41,42)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)c2nc(-c3ccc(F)cc3)cs2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][=Branch1][Ring1][O][C][=C][C][=C][Branch2][Branch1][=Branch1][C][C][N][Branch2][Ring1][N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][S][Ring1][N][C][=C][Ring2][Ring2][Ring2][C][=Branch1][C][=O][O]
InChI: InChI=1S/C30H25F7N2O3S/c1-28(2,26(40)41)42-23-11-3-18(4-12-23)13-14-39(27-38-25(17-43-27)19-6-9-22(31)10-7-19)16-20-5-8-21(29(32,33)34)15-24(20)30(35,36)37/h3-12,15,17H,13-14,16H2,1-2H3,(H,40,41)
SMILES: CCN(CC)c1ccc(-c2csc(N(CCc3ccc(OC(C)(C)C(=O)O)cc3)Cc3ccc(C(F)(F)F)cc3)n2)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch2][Branch1][N][C][=C][S][C][Branch2][Ring2][P][N][Branch2][Ring1][#Branch2][C][C][C][=C][C][=C][Branch1][=C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][=N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][Ring2][Ring1][S][C][=C][Ring2][Ring2][=Branch1]
InChI: InChI=1S/C33H36F3N3O3S/c1-5-38(6-2)27-15-11-25(12-16-27)29-22-43-31(37-29)39(21-24-7-13-26(14-8-24)33(34,35)36)20-19-23-9-17-28(18-10-23)42-32(3,4)30(40)41/h7-18,22H,5-6,19-21H2,1-4H3,(H,40,41)
SMILES: Cc1ccc(-c2csc(N(CCc3ccc(OC(C)(C)C(=O)O)cc3)Cc3ccc(C(F)(F)F)cc3)n2)cc1
SELFIES: [C][C][=C][C][=C][Branch2][Branch1][N][C][=C][S][C][Branch2][Ring2][P][N][Branch2][Ring1][#Branch2][C][C][C][=C][C][=C][Branch1][=C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][=N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][Ring2][Ring1][S][C][=C][Ring2][Ring2][=Branch1]
InChI: InChI=1S/C30H29F3N2O3S/c1-20-4-10-23(11-5-20)26-19-39-28(34-26)35(18-22-6-12-24(13-7-22)30(31,32)33)17-16-21-8-14-25(15-9-21)38-29(2,3)27(36)37/h4-15,19H,16-18H2,1-3H3,(H,36,37)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)c2nc(-c3cccc(Cl)c3)cs2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][=Branch1][Ring1][O][C][=C][C][=C][Branch2][Branch1][=Branch1][C][C][N][Branch2][Ring1][N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][S][Ring1][N][C][=C][Ring2][Ring2][Ring2][C][=Branch1][C][=O][O]
InChI: InChI=1S/C30H25ClF6N2O3S/c1-28(2,26(40)41)42-23-10-6-18(7-11-23)12-13-39(27-38-25(17-43-27)19-4-3-5-22(31)14-19)16-20-8-9-21(29(32,33)34)15-24(20)30(35,36)37/h3-11,14-15,17H,12-13,16H2,1-2H3,(H,40,41)
SMILES: COc1ccccc1-c1csc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(C(F)(F)F)cc2C(F)(F)F)n1
SELFIES: [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][S][C][Branch2][Branch1][=Branch2][N][Branch2][Ring1][#Branch2][C][C][C][=C][C][=C][Branch1][=C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][=N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring2][Ring2][Ring2]
InChI: InChI=1S/C31H28F6N2O4S/c1-29(2,27(40)41)43-22-12-8-19(9-13-22)14-15-39(28-38-25(18-44-28)23-6-4-5-7-26(23)42-3)17-20-10-11-21(30(32,33)34)16-24(20)31(35,36)37/h4-13,16,18H,14-15,17H2,1-3H3,(H,40,41)
SMILES: Cc1ccc(-c2csc(N(CCc3ccc(OC(C)(C)C(=O)O)cc3)Cc3ccc(C(F)(F)F)cc3C(F)(F)F)n2)cc1
SELFIES: [C][C][=C][C][=C][Branch2][=Branch1][Ring2][C][=C][S][C][Branch2][Branch1][=Branch2][N][Branch2][Ring1][#Branch2][C][C][C][=C][C][=C][Branch1][=C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][=N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring2][Ring2][Ring2][C][=C][Ring2][Ring2][#Branch2]
InChI: InChI=1S/C31H28F6N2O3S/c1-19-4-8-21(9-5-19)26-18-43-28(38-26)39(15-14-20-6-12-24(13-7-20)42-29(2,3)27(40)41)17-22-10-11-23(30(32,33)34)16-25(22)31(35,36)37/h4-13,16,18H,14-15,17H2,1-3H3,(H,40,41)
SMILES: COc1cccc(-c2csc(N(CCc3ccc(OC(C)(C)C(=O)O)cc3)Cc3ccc(C(F)(F)F)cc3C(F)(F)F)n2)c1
SELFIES: [C][O][C][=C][C][=C][C][Branch2][=Branch1][Ring2][C][=C][S][C][Branch2][Branch1][=Branch2][N][Branch2][Ring1][#Branch2][C][C][C][=C][C][=C][Branch1][=C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][=N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring2][Ring2][Ring2][=C][Ring2][Ring2][#Branch2]
InChI: InChI=1S/C31H28F6N2O4S/c1-29(2,27(40)41)43-23-11-7-19(8-12-23)13-14-39(28-38-26(18-44-28)20-5-4-6-24(15-20)42-3)17-21-9-10-22(30(32,33)34)16-25(21)31(35,36)37/h4-12,15-16,18H,13-14,17H2,1-3H3,(H,40,41)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)c2nc(-c3ccc(Cl)cc3)cs2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][=Branch1][Ring1][O][C][=C][C][=C][Branch2][Branch1][=Branch1][C][C][N][Branch2][Ring1][N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][S][Ring1][N][C][=C][Ring2][Ring2][Ring2][C][=Branch1][C][=O][O]
InChI: InChI=1S/C30H25ClF6N2O3S/c1-28(2,26(40)41)42-23-11-3-18(4-12-23)13-14-39(27-38-25(17-43-27)19-6-9-22(31)10-7-19)16-20-5-8-21(29(32,33)34)15-24(20)30(35,36)37/h3-12,15,17H,13-14,16H2,1-2H3,(H,40,41)
SMILES: CCCc1ccc(-c2csc(N(CCc3ccc(OC(C)(C)C(=O)O)cc3)Cc3ccc(C(F)(F)F)cc3C(F)(F)F)n2)cc1
SELFIES: [C][C][C][C][=C][C][=C][Branch2][=Branch1][Ring2][C][=C][S][C][Branch2][Branch1][=Branch2][N][Branch2][Ring1][#Branch2][C][C][C][=C][C][=C][Branch1][=C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][=N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring2][Ring2][Ring2][C][=C][Ring2][Ring2][#Branch2]
InChI: InChI=1S/C33H32F6N2O3S/c1-4-5-21-6-10-23(11-7-21)28-20-45-30(40-28)41(17-16-22-8-14-26(15-9-22)44-31(2,3)29(42)43)19-24-12-13-25(32(34,35)36)18-27(24)33(37,38)39/h6-15,18,20H,4-5,16-17,19H2,1-3H3,(H,42,43)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(OC(F)(F)F)cc2)c2nc(-c3ccccc3Cl)cs2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][#Branch2][O][C][=C][C][=C][Branch2][Ring2][=N][C][C][N][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][S][Ring1][N][C][=C][Ring2][Ring1][P][C][=Branch1][C][=O][O]
InChI: InChI=1S/C29H26ClF3N2O4S/c1-28(2,26(36)37)38-21-11-7-19(8-12-21)15-16-35(17-20-9-13-22(14-10-20)39-29(31,32)33)27-34-25(18-40-27)23-5-3-4-6-24(23)30/h3-14,18H,15-17H2,1-2H3,(H,36,37)
SMILES: COc1ccccc1-c1n/c(=N\c2ccccc2)sn1-c1ccccc1OC
SELFIES: [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][/C][=Branch1][#Branch2][=N][\C][=C][C][=C][C][=C][Ring1][=Branch1][S][N][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C]
InChI: InChI=1S/C22H19N3O2S/c1-26-19-14-8-6-12-17(19)21-24-22(23-16-10-4-3-5-11-16)28-25(21)18-13-7-9-15-20(18)27-2/h3-15H,1-2H3/b23-22+
SMILES: CCCCOc1ccc(-c2nnc(-c3ccc(N4CCC(N(C)C)C4)cc3)o2)cc1
SELFIES: [C][C][C][C][O][C][=C][C][=C][Branch2][Ring2][Ring2][C][=N][N][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][#C][N][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][C][Ring1][Branch2][C][=C][Ring1][=C][O][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C24H30N4O2/c1-4-5-16-29-22-12-8-19(9-13-22)24-26-25-23(30-24)18-6-10-20(11-7-18)28-15-14-21(17-28)27(2)3/h6-13,21H,4-5,14-17H2,1-3H3
SMILES: CN(C)C1CCN(c2ccc(-c3nnc(CSCCOc4ccccc4)o3)cc2)C1
SELFIES: [C][N][Branch1][C][C][C][C][C][N][Branch2][Ring2][Ring1][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][N][=C][Branch1][=C][C][S][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][S][C][=C][Ring2][Ring1][=Branch1][C][Ring2][Ring1][O]
InChI: InChI=1S/C23H28N4O2S/c1-26(2)20-12-13-27(16-20)19-10-8-18(9-11-19)23-25-24-22(29-23)17-30-15-14-28-21-6-4-3-5-7-21/h3-11,20H,12-17H2,1-2H3
SMILES: CN(C)C1CCN(c2ccc(-c3nnc(-c4ccc(Oc5ccccc5)cc4)o3)cc2)C1
SELFIES: [C][N][Branch1][C][C][C][C][C][N][Branch2][Ring2][O][C][=C][C][=C][Branch2][Ring1][#C][C][=N][N][=C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][O][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2][C][Ring2][Ring1][=N]
InChI: InChI=1S/C26H26N4O2/c1-29(2)22-16-17-30(18-22)21-12-8-19(9-13-21)25-27-28-26(32-25)20-10-14-24(15-11-20)31-23-6-4-3-5-7-23/h3-15,22H,16-18H2,1-2H3
SMILES: CCCCCCOc1ccc(-c2nnc(-c3ccc(N4CCC(N(C)C)C4)cc3)o2)cc1
SELFIES: [C][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring2][Ring2][C][=N][N][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][#C][N][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][C][Ring1][Branch2][C][=C][Ring1][=C][O][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C26H34N4O2/c1-4-5-6-7-18-31-24-14-10-21(11-15-24)26-28-27-25(32-26)20-8-12-22(13-9-20)30-17-16-23(19-30)29(2)3/h8-15,23H,4-7,16-19H2,1-3H3
SMILES: CN(C)C1CCN(c2ccc(-c3nnc(-c4ccc(OC5C=CCCC5)cc4)o3)cc2)C1
SELFIES: [C][N][Branch1][C][C][C][C][C][N][Branch2][Ring2][O][C][=C][C][=C][Branch2][Ring1][#C][C][=N][N][=C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][C][=C][C][C][C][Ring1][=Branch1][C][=C][Ring1][=N][O][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2][C][Ring2][Ring1][=N]
InChI: InChI=1S/C26H30N4O2/c1-29(2)22-16-17-30(18-22)21-12-8-19(9-13-21)25-27-28-26(32-25)20-10-14-24(15-11-20)31-23-6-4-3-5-7-23/h4,6,8-15,22-23H,3,5,7,16-18H2,1-2H3
SMILES: CN(C)C1CCN(c2ccc(-c3nnc(Cc4ccc(OC5C=CCCC5)cc4)o3)cc2)C1
SELFIES: [C][N][Branch1][C][C][C][C][C][N][Branch2][Ring2][N][C][=C][C][=C][Branch2][Ring1][S][C][=N][N][=C][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch2][O][C][C][=C][C][C][C][Ring1][=Branch1][C][=C][Ring1][=N][O][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2][C][Ring2][Ring1][=C]
InChI: InChI=1S/C27H32N4O2/c1-30(2)23-16-17-31(19-23)22-12-10-21(11-13-22)27-29-28-26(33-27)18-20-8-14-25(15-9-20)32-24-6-4-3-5-7-24/h4,6,8-15,23-24H,3,5,7,16-19H2,1-2H3
SMILES: CN(C)C1CCN(c2ccc(-c3nnc(CCc4ccccc4)o3)cc2)C1
SELFIES: [C][N][Branch1][C][C][C][C][C][N][Branch2][Ring1][S][C][=C][C][=C][Branch2][Ring1][Ring2][C][=N][N][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=N][C][=C][Ring2][Ring1][Ring1][C][Ring2][Ring1][Branch2]
InChI: InChI=1S/C22H26N4O/c1-25(2)20-14-15-26(16-20)19-11-9-18(10-12-19)22-24-23-21(27-22)13-8-17-6-4-3-5-7-17/h3-7,9-12,20H,8,13-16H2,1-2H3
SMILES: CN(C)C1CCN(c2ccc(-c3nnc(CCc4ccc5c(c4)OCO5)o3)cc2)C1
SELFIES: [C][N][Branch1][C][C][C][C][C][N][Branch2][Ring2][Branch2][C][=C][C][=C][Branch2][Ring1][N][C][=N][N][=C][Branch2][Ring1][C][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][O][Ring1][S][C][=C][Ring2][Ring1][=Branch1][C][Ring2][Ring1][O]
InChI: InChI=1S/C23H26N4O3/c1-26(2)19-11-12-27(14-19)18-7-5-17(6-8-18)23-25-24-22(30-23)10-4-16-3-9-20-21(13-16)29-15-28-20/h3,5-9,13,19H,4,10-12,14-15H2,1-2H3
SMILES: CN(C)C1CCN(c2ccc(-c3nnc(Cc4noc5ccccc45)o3)cc2)C1
SELFIES: [C][N][Branch1][C][C][C][C][C][N][Branch2][Ring2][Ring2][C][=C][C][=C][Branch2][Ring1][Branch2][C][=N][N][=C][Branch1][#C][C][C][=N][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][O][Ring1][#C][C][=C][Ring2][Ring1][Branch1][C][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C22H23N5O2/c1-26(2)17-11-12-27(14-17)16-9-7-15(8-10-16)22-24-23-21(28-22)13-19-18-5-3-4-6-20(18)29-25-19/h3-10,17H,11-14H2,1-2H3
SMILES: COc1ccc(-c2nnc(-c3ccc(N4CCC(N(C)C)C4)cc3)o2)cc1OCc1ccccc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring2][Ring2][C][=N][N][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][#C][N][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][C][Ring1][Branch2][C][=C][Ring1][=C][O][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C28H30N4O3/c1-31(2)24-15-16-32(18-24)23-12-9-21(10-13-23)27-29-30-28(35-27)22-11-14-25(33-3)26(17-22)34-19-20-7-5-4-6-8-20/h4-14,17,24H,15-16,18-19H2,1-3H3
SMILES: CN(C)C1CCN(c2ccc(-c3nnc(-c4cccc(Oc5ccccc5)c4)o3)cc2)C1
SELFIES: [C][N][Branch1][C][C][C][C][C][N][Branch2][Ring2][O][C][=C][C][=C][Branch2][Ring1][#C][C][=N][N][=C][Branch2][Ring1][Ring2][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N][O][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2][C][Ring2][Ring1][=N]
InChI: InChI=1S/C26H26N4O2/c1-29(2)22-15-16-30(18-22)21-13-11-19(12-14-21)25-27-28-26(32-25)20-7-6-10-24(17-20)31-23-8-4-3-5-9-23/h3-14,17,22H,15-16,18H2,1-2H3
SMILES: CN(C)C1CCN(c2ccc(-c3nnc(Cc4cccc(Oc5ccccc5)c4)o3)cc2)C1
SELFIES: [C][N][Branch1][C][C][C][C][C][N][Branch2][Ring2][N][C][=C][C][=C][Branch2][Ring1][S][C][=N][N][=C][Branch2][Ring1][Branch1][C][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N][O][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2][C][Ring2][Ring1][=C]
InChI: InChI=1S/C27H28N4O2/c1-30(2)23-15-16-31(19-23)22-13-11-21(12-14-22)27-29-28-26(33-27)18-20-7-6-10-25(17-20)32-24-8-4-3-5-9-24/h3-14,17,23H,15-16,18-19H2,1-2H3
SMILES: CN(C)C1CCN(c2ccc(-c3nnc(-c4ccc(Cc5ccccc5)cc4)o3)cc2)C1
SELFIES: [C][N][Branch1][C][C][C][C][C][N][Branch2][Ring2][O][C][=C][C][=C][Branch2][Ring1][#C][C][=N][N][=C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][O][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2][C][Ring2][Ring1][=N]
InChI: InChI=1S/C27H28N4O/c1-30(2)25-16-17-31(19-25)24-14-12-23(13-15-24)27-29-28-26(32-27)22-10-8-21(9-11-22)18-20-6-4-3-5-7-20/h3-15,25H,16-19H2,1-2H3
SMILES: CN(C)C1CCN(c2ccc(-c3nnc(-c4ccc(C(=O)c5ccccc5)cc4)o3)cc2)C1
SELFIES: [C][N][Branch1][C][C][C][C][C][N][Branch2][Ring2][=C][C][=C][C][=C][Branch2][Ring2][C][C][=N][N][=C][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][O][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2][C][Ring2][Ring1][=C]
InChI: InChI=1S/C27H26N4O2/c1-30(2)24-16-17-31(18-24)23-14-12-22(13-15-23)27-29-28-26(33-27)21-10-8-20(9-11-21)25(32)19-6-4-3-5-7-19/h3-15,24H,16-18H2,1-2H3
SMILES: CN(C)C1CCN(c2ccc(-c3nnc(-c4ccc(-c5ccc(Cl)cc5)o4)o3)cc2)C1
SELFIES: [C][N][Branch1][C][C][C][C][C][N][Branch2][Ring2][O][C][=C][C][=C][Branch2][Ring1][#C][C][=N][N][=C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][Ring1][N][O][Ring1][P][C][=C][Ring2][Ring1][#Branch1][C][Ring2][Ring1][N]
InChI: InChI=1S/C24H23ClN4O2/c1-28(2)20-13-14-29(15-20)19-9-5-17(6-10-19)23-26-27-24(31-23)22-12-11-21(30-22)16-3-7-18(25)8-4-16/h3-12,20H,13-15H2,1-2H3
SMILES: COc1ccc(CCc2nnc(-c3ccc(N4CCC(N(C)C)C4)cc3)o2)cc1OC
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][C][C][C][=N][N][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][#C][N][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][C][Ring1][Branch2][C][=C][Ring1][=C][O][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][O][O][C]
InChI: InChI=1S/C24H30N4O3/c1-27(2)20-13-14-28(16-20)19-9-7-18(8-10-19)24-26-25-23(31-24)12-6-17-5-11-21(29-3)22(15-17)30-4/h5,7-11,15,20H,6,12-14,16H2,1-4H3
SMILES: COc1ccc(-c2ccc(-c3nnc(-c4ccc(N5CCC(N(C)C)C5)cc4)o3)cc2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring2][S][C][=C][C][=C][Branch2][Ring2][Ring2][C][=N][N][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][#C][N][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][C][Ring1][Branch2][C][=C][Ring1][=C][O][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][#C]
InChI: InChI=1S/C27H28N4O2/c1-30(2)24-16-17-31(18-24)23-12-8-22(9-13-23)27-29-28-26(33-27)21-6-4-19(5-7-21)20-10-14-25(32-3)15-11-20/h4-15,24H,16-18H2,1-3H3
SMILES: COc1cccc(OCc2nnc(-c3ccc(N4CCC(N(C)C)C4)cc3)o2)c1
SELFIES: [C][O][C][=C][C][=C][C][Branch2][Ring2][=Branch1][O][C][C][=N][N][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][#C][N][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][C][Ring1][Branch2][C][=C][Ring1][=C][O][Ring2][Ring1][Ring1][=C][Ring2][Ring1][O]
InChI: InChI=1S/C22H26N4O3/c1-25(2)18-11-12-26(14-18)17-9-7-16(8-10-17)22-24-23-21(29-22)15-28-20-6-4-5-19(13-20)27-3/h4-10,13,18H,11-12,14-15H2,1-3H3
SMILES: CN(C)C1CCN(c2ccc(-c3nnc(COc4ccc(OCc5ccccc5)cc4)o3)cc2)C1
SELFIES: [C][N][Branch1][C][C][C][C][C][N][Branch2][Ring2][=C][C][=C][C][=C][Branch2][Ring2][C][C][=N][N][=C][Branch2][Ring1][#Branch1][C][O][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][O][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][O][C][Ring2][Ring1][S]
InChI: InChI=1S/C28H30N4O3/c1-31(2)24-16-17-32(18-24)23-10-8-22(9-11-23)28-30-29-27(35-28)20-34-26-14-12-25(13-15-26)33-19-21-6-4-3-5-7-21/h3-15,24H,16-20H2,1-2H3
SMILES: CN(C)C1CCN(c2ccc(-c3nnc(-c4cc5cc(OCc6ccccc6)ccc5[nH]4)o3)cc2)C1
SELFIES: [C][N][Branch1][C][C][C][C][C][N][Branch2][Ring2][P][C][=C][C][=C][Branch2][Ring2][Branch1][C][=N][N][=C][Branch2][Ring1][#Branch2][C][=C][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][=C][NH1][Ring1][P][O][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N][C][Ring2][Ring1][P]
InChI: InChI=1S/C29H29N5O2/c1-33(2)24-14-15-34(18-24)23-10-8-21(9-11-23)28-31-32-29(36-28)27-17-22-16-25(12-13-26(22)30-27)35-19-20-6-4-3-5-7-20/h3-13,16-17,24,30H,14-15,18-19H2,1-2H3
SMILES: CN(C)C1CCN(c2ccc(-c3nnc(COc4ccc(OC(F)(F)F)cc4)o3)cc2)C1
SELFIES: [C][N][Branch1][C][C][C][C][C][N][Branch2][Ring2][=N][C][=C][C][=C][Branch2][Ring1][P][C][=N][N][=C][Branch2][Ring1][=Branch1][C][O][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][O][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2][C][Ring2][Ring1][=N]
InChI: InChI=1S/C22H23F3N4O3/c1-28(2)17-11-12-29(13-17)16-5-3-15(4-6-16)21-27-26-20(31-21)14-30-18-7-9-19(10-8-18)32-22(23,24)25/h3-10,17H,11-14H2,1-2H3
SMILES: CN(C)C1CCN(c2ccc(-c3nnc(CCCCc4cccs4)o3)cc2)C1
SELFIES: [C][N][Branch1][C][C][C][C][C][N][Branch2][Ring1][P][C][=C][C][=C][Branch2][Ring1][Branch1][C][=N][N][=C][Branch1][N][C][C][C][C][C][=C][C][=C][S][Ring1][Branch1][O][Ring1][=C][C][=C][Ring2][Ring1][Ring2][C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C22H28N4OS/c1-25(2)19-13-14-26(16-19)18-11-9-17(10-12-18)22-24-23-21(27-22)8-4-3-6-20-7-5-15-28-20/h5,7,9-12,15,19H,3-4,6,8,13-14,16H2,1-2H3
SMILES: Cc1c(S(=O)(=O)c2ccc(Cl)cc2)csc1-c1nnc(-c2ccc(N3CCC(N(C)C)C3)cc2)o1
SELFIES: [C][C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][S][C][=Ring1][#C][C][=N][N][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][#C][N][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][C][Ring1][Branch2][C][=C][Ring1][=C][O][Ring2][Ring1][Ring1]
InChI: InChI=1S/C25H25ClN4O3S2/c1-16-22(35(31,32)21-10-6-18(26)7-11-21)15-34-23(16)25-28-27-24(33-25)17-4-8-19(9-5-17)30-13-12-20(14-30)29(2)3/h4-11,15,20H,12-14H2,1-3H3