EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CN(C)C1CCN(c2ccc(-c3nnc(CCCCC4CCCCC4)o3)cc2)C1
SELFIES: [C][N][Branch1][C][C][C][C][C][N][Branch2][Ring2][C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=N][N][=C][Branch1][=N][C][C][C][C][C][C][C][C][C][C][Ring1][=Branch1][O][Ring1][#C][C][=C][Ring2][Ring1][Branch1][C][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C24H36N4O/c1-27(2)22-16-17-28(18-22)21-14-12-20(13-15-21)24-26-25-23(29-24)11-7-6-10-19-8-4-3-5-9-19/h12-15,19,22H,3-11,16-18H2,1-2H3
SMILES: CN(C)C1CCN(c2ccc(-c3nnc(/C=C/c4ccc(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][=C][/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/C29H30N4O2/c1-32(2)26-18-19-33(20-26)25-13-11-24(12-14-25)29-31-30-28(35-29)17-10-22-8-15-27(16-9-22)34-21-23-6-4-3-5-7-23/h3-17,26H,18-21H2,1-2H3/b17-10+
SMILES: CCCCOc1ccc(OCc2nnc(-c3ccc(N4CCC(N(C)C)C4)cc3)o2)cc1
SELFIES: [C][C][C][C][O][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][=C][Ring2][Ring1][O]
InChI: InChI=1S/C25H32N4O3/c1-4-5-16-30-22-10-12-23(13-11-22)31-18-24-26-27-25(32-24)19-6-8-20(9-7-19)29-15-14-21(17-29)28(2)3/h6-13,21H,4-5,14-18H2,1-3H3
SMILES: CN(C)C1CCN(c2ccc(-c3nnc(Cn4ccc(-c5ccc(Cl)cc5)n4)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][N][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][N][O][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2][C][Ring2][Ring1][=N]
InChI: InChI=1S/C24H25ClN6O/c1-29(2)21-11-13-30(15-21)20-9-5-18(6-10-20)24-27-26-23(32-24)16-31-14-12-22(28-31)17-3-7-19(25)8-4-17/h3-10,12,14,21H,11,13,15-16H2,1-2H3
SMILES: CN(C)C1CCN(c2ccc(-c3nnc(-c4ccc(Oc5ccccc5)c(C(F)(F)F)c4)o3)cc2)C1
SELFIES: [C][N][Branch1][C][C][C][C][C][N][Branch2][Branch1][Branch1][C][=C][C][=C][Branch2][Ring2][=Branch2][C][=N][N][=C][Branch2][Ring1][=C][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][P][O][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N][C][Ring2][Ring1][P]
InChI: InChI=1S/C27H25F3N4O2/c1-33(2)21-14-15-34(17-21)20-11-8-18(9-12-20)25-31-32-26(36-25)19-10-13-24(23(16-19)27(28,29)30)35-22-6-4-3-5-7-22/h3-13,16,21H,14-15,17H2,1-2H3
SMILES: CN(C)C1CCN(c2ccc(-c3nnc(-c4ccc(-c5ccc(F)cc5)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][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][=N][O][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2][C][Ring2][Ring1][=N]
InChI: InChI=1S/C26H25FN4O/c1-30(2)24-15-16-31(17-24)23-13-9-21(10-14-23)26-29-28-25(32-26)20-5-3-18(4-6-20)19-7-11-22(27)12-8-19/h3-14,24H,15-17H2,1-2H3
SMILES: CN(C)C1CCN(c2ccc(-c3nnc(CCc4ccc(C(F)(F)F)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][Branch1][C][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][O][Ring1][P][C][=C][Ring2][Ring1][#Branch1][C][Ring2][Ring1][N]
InChI: InChI=1S/C23H25F3N4O/c1-29(2)20-13-14-30(15-20)19-10-6-17(7-11-19)22-28-27-21(31-22)12-5-16-3-8-18(9-4-16)23(24,25)26/h3-4,6-11,20H,5,12-15H2,1-2H3
SMILES: CN(C)C1CCN(c2ccc(-c3nnc(-c4ccc(CSc5ccc(Cl)cc5)o4)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][=C][C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][Ring1][=C][O][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2][C][Ring2][Ring1][=C]
InChI: InChI=1S/C25H25ClN4O2S/c1-29(2)20-13-14-30(15-20)19-7-3-17(4-8-19)24-27-28-25(32-24)23-12-9-21(31-23)16-33-22-10-5-18(26)6-11-22/h3-12,20H,13-16H2,1-2H3
SMILES: CN(C)C1CCN(c2ccc(-c3nnc(-c4cc(-c5ccc(Br)cc5)oc4C(F)(F)F)o3)cc2)C1
SELFIES: [C][N][Branch1][C][C][C][C][C][N][Branch2][Branch1][Ring2][C][=C][C][=C][Branch2][Ring2][Branch2][C][=N][N][=C][Branch2][Ring1][=N][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][O][C][=Ring1][N][C][Branch1][C][F][Branch1][C][F][F][O][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][O][C][Ring2][Ring1][S]
InChI: InChI=1S/C25H22BrF3N4O2/c1-32(2)19-11-12-33(14-19)18-9-5-16(6-10-18)23-30-31-24(35-23)20-13-21(34-22(20)25(27,28)29)15-3-7-17(26)8-4-15/h3-10,13,19H,11-12,14H2,1-2H3
SMILES: CN(C)C1CCN(c2ccc(-c3nnc(-c4ccc(-c5ccc(Cl)cc5[N+](=O)[O-])o4)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][Branch1][P][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1][O][Ring1][#C][O][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2][C][Ring2][Ring1][#C]
InChI: InChI=1S/C24H22ClN5O4/c1-28(2)18-11-12-29(14-18)17-6-3-15(4-7-17)23-26-27-24(34-23)22-10-9-21(33-22)19-8-5-16(25)13-20(19)30(31)32/h3-10,13,18H,11-12,14H2,1-2H3
SMILES: Cc1ccc(-c2ccc(-c3nnc(-c4ccc(N5CCC(N(C)C)C5)cc4)o3)cc2)cc1
SELFIES: [C][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/C27H28N4O/c1-19-4-6-20(7-5-19)21-8-10-22(11-9-21)26-28-29-27(32-26)23-12-14-24(15-13-23)31-17-16-25(18-31)30(2)3/h4-15,25H,16-18H2,1-3H3
SMILES: CC(C)CCOc1ccc(-c2nnc(-c3ccc(N4CCC(N(C)C)C4)cc3)o2)cc1
SELFIES: [C][C][Branch1][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/C25H32N4O2/c1-18(2)14-16-30-23-11-7-20(8-12-23)25-27-26-24(31-25)19-5-9-21(10-6-19)29-15-13-22(17-29)28(3)4/h5-12,18,22H,13-17H2,1-4H3
SMILES: CN(C)C1CCN(c2ccc(-c3nnc(Cc4ccc(-c5ccccc5)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][=C][Branch1][=Branch2][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)18-20-8-10-22(11-9-20)21-6-4-3-5-7-21/h3-15,25H,16-19H2,1-2H3
SMILES: CN(C)C1CCN(c2ccc(-c3nnc(CCc4cccc(OC(F)(F)F)c4)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][C][C][=C][C][=C][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][O][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2][C][Ring2][Ring1][=N]
InChI: InChI=1S/C23H25F3N4O2/c1-29(2)19-12-13-30(15-19)18-9-7-17(8-10-18)22-28-27-21(31-22)11-6-16-4-3-5-20(14-16)32-23(24,25)26/h3-5,7-10,14,19H,6,11-13,15H2,1-2H3
SMILES: CN(C)C1CCN(c2ccc(-c3nnc(CCc4nc5ccccc5s4)o3)cc2)C1
SELFIES: [C][N][Branch1][C][C][C][C][C][N][Branch2][Ring2][Branch1][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=N][N][=C][Branch1][S][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][O][Ring1][S][C][=C][Ring2][Ring1][=Branch1][C][Ring2][Ring1][O]
InChI: InChI=1S/C23H25N5OS/c1-27(2)18-13-14-28(15-18)17-9-7-16(8-10-17)23-26-25-21(29-23)11-12-22-24-19-5-3-4-6-20(19)30-22/h3-10,18H,11-15H2,1-2H3
SMILES: CN(C)C1CCN(c2ccc(-c3nnc(CCc4ccc(-c5ccccc5)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][Ring2][C][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][O][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2][C][Ring2][Ring1][=N]
InChI: InChI=1S/C26H28N4O2/c1-29(2)22-16-17-30(18-22)21-10-8-20(9-11-21)26-28-27-25(32-26)15-13-23-12-14-24(31-23)19-6-4-3-5-7-19/h3-12,14,22H,13,15-18H2,1-2H3
SMILES: CN(C)C1CCN(c2ccc(-c3nnc(CCCCOc4ccccc4)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][C][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/C24H30N4O2/c1-27(2)21-15-16-28(18-21)20-13-11-19(12-14-20)24-26-25-23(30-24)10-6-7-17-29-22-8-4-3-5-9-22/h3-5,8-9,11-14,21H,6-7,10,15-18H2,1-2H3
SMILES: CCCCOc1ccc(-c2nnc(-c3ccc(N4CCC(N(C)C)C4)cc3)s2)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][S][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C24H30N4OS/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@@H]1CCN(c2ccc(-c3noc(COc4ccc(Cl)cc4)n3)cc2)C1
SELFIES: [C][N][C@@H1][C][C][N][Branch2][Ring2][Ring1][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][O][C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][=C][C][=C][Ring2][Ring1][Ring2][C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C20H21ClN4O2/c1-22-16-10-11-25(12-16)17-6-2-14(3-7-17)20-23-19(27-24-20)13-26-18-8-4-15(21)5-9-18/h2-9,16,22H,10-13H2,1H3/t16-/m1/s1
SMILES: CN[C@@H]1CCC(c2ccc(-c3noc(COCc4ccc(Cl)cc4)n3)cc2)C1
SELFIES: [C][N][C@@H1][C][C][C][Branch2][Ring2][Ring2][C][=C][C][=C][Branch2][Ring1][Branch2][C][=N][O][C][Branch1][#C][C][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][#C][C][=C][Ring2][Ring1][Branch1][C][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C22H24ClN3O2/c1-24-20-11-8-18(12-20)16-4-6-17(7-5-16)22-25-21(28-26-22)14-27-13-15-2-9-19(23)10-3-15/h2-7,9-10,18,20,24H,8,11-14H2,1H3/t18?,20-/m1/s1
SMILES: CN(C)C1CCN(c2ccc(-c3noc(CNC(=O)c4ccc(Cl)cc4)n3)cc2)C1
SELFIES: [C][N][Branch1][C][C][C][C][C][N][Branch2][Ring2][Branch2][C][=C][C][=C][Branch2][Ring1][N][C][=N][O][C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][S][C][=C][Ring2][Ring1][=Branch1][C][Ring2][Ring1][O]
InChI: InChI=1S/C22H24ClN5O2/c1-27(2)19-11-12-28(14-19)18-9-5-15(6-10-18)21-25-20(30-26-21)13-24-22(29)16-3-7-17(23)8-4-16/h3-10,19H,11-14H2,1-2H3,(H,24,29)
SMILES: CN(C)C1CCN(c2ccc(-c3noc(CNC(=O)Cc4ccc(Cl)cc4)n3)cc2)C1
SELFIES: [C][N][Branch1][C][C][C][C][C][N][Branch2][Ring2][=Branch2][C][=C][C][=C][Branch2][Ring1][=N][C][=N][O][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][P][C][=C][Ring2][Ring1][#Branch1][C][Ring2][Ring1][N]
InChI: InChI=1S/C23H26ClN5O2/c1-28(2)20-11-12-29(15-20)19-9-5-17(6-10-19)23-26-22(31-27-23)14-25-21(30)13-16-3-7-18(24)8-4-16/h3-10,20H,11-15H2,1-2H3,(H,25,30)
SMILES: CN(C)C1CCN(c2ccc(-c3noc(CNC(=O)COc4ccc(Cl)cc4)n3)cc2)C1
SELFIES: [C][N][Branch1][C][C][C][C][C][N][Branch2][Ring2][O][C][=C][C][=C][Branch2][Ring1][#C][C][=N][O][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2][C][Ring2][Ring1][=N]
InChI: InChI=1S/C23H26ClN5O3/c1-28(2)19-11-12-29(14-19)18-7-3-16(4-8-18)23-26-22(32-27-23)13-25-21(30)15-31-20-9-5-17(24)6-10-20/h3-10,19H,11-15H2,1-2H3,(H,25,30)
SMILES: CN(C)C1CCN(c2ccc(-c3noc(CNC(=O)c4ccc(Cl)c(F)c4)n3)cc2)C1
SELFIES: [C][N][Branch1][C][C][C][C][C][N][Branch2][Ring2][O][C][=C][C][=C][Branch2][Ring1][#C][C][=N][O][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][F][=C][Ring1][Branch2][=N][Ring1][P][C][=C][Ring2][Ring1][#Branch1][C][Ring2][Ring1][N]
InChI: InChI=1S/C22H23ClFN5O2/c1-28(2)17-9-10-29(13-17)16-6-3-14(4-7-16)21-26-20(31-27-21)12-25-22(30)15-5-8-18(23)19(24)11-15/h3-8,11,17H,9-10,12-13H2,1-2H3,(H,25,30)
SMILES: CN(C)C1CCN(c2ccc(-c3noc(CNC(=O)c4ccccc4)n3)cc2)C1
SELFIES: [C][N][Branch1][C][C][C][C][C][N][Branch2][Ring2][Ring2][C][=C][C][=C][Branch2][Ring1][Branch2][C][=N][O][C][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][#C][C][=C][Ring2][Ring1][Branch1][C][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C22H25N5O2/c1-26(2)19-12-13-27(15-19)18-10-8-16(9-11-18)21-24-20(29-25-21)14-23-22(28)17-6-4-3-5-7-17/h3-11,19H,12-15H2,1-2H3,(H,23,28)
SMILES: CN(C)C1CCN(c2ccc(-c3noc(CNC(=O)c4ccc(F)cc4Cl)n3)cc2)C1
SELFIES: [C][N][Branch1][C][C][C][C][C][N][Branch2][Ring2][=Branch2][C][=C][C][=C][Branch2][Ring1][=N][C][=N][O][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl][=N][Ring1][P][C][=C][Ring2][Ring1][#Branch1][C][Ring2][Ring1][N]
InChI: InChI=1S/C22H23ClFN5O2/c1-28(2)17-9-10-29(13-17)16-6-3-14(4-7-16)21-26-20(31-27-21)12-25-22(30)18-8-5-15(24)11-19(18)23/h3-8,11,17H,9-10,12-13H2,1-2H3,(H,25,30)
SMILES: CN(C)C1CCN(c2ccc(-c3noc(CNC(=O)c4ccc(F)cc4)n3)cc2)C1
SELFIES: [C][N][Branch1][C][C][C][C][C][N][Branch2][Ring2][Branch2][C][=C][C][=C][Branch2][Ring1][N][C][=N][O][C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][S][C][=C][Ring2][Ring1][=Branch1][C][Ring2][Ring1][O]
InChI: InChI=1S/C22H24FN5O2/c1-27(2)19-11-12-28(14-19)18-9-5-15(6-10-18)21-25-20(30-26-21)13-24-22(29)16-3-7-17(23)8-4-16/h3-10,19H,11-14H2,1-2H3,(H,24,29)
SMILES: CN(C)C1CCN(c2ccc(-c3noc(CNC(=O)c4ccccn4)n3)cc2)C1
SELFIES: [C][N][Branch1][C][C][C][C][C][N][Branch2][Ring2][Ring2][C][=C][C][=C][Branch2][Ring1][Branch2][C][=N][O][C][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][#C][C][=C][Ring2][Ring1][Branch1][C][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C21H24N6O2/c1-26(2)17-10-12-27(14-17)16-8-6-15(7-9-16)20-24-19(29-25-20)13-23-21(28)18-5-3-4-11-22-18/h3-9,11,17H,10,12-14H2,1-2H3,(H,23,28)
SMILES: CN(C)C1CCN(c2ccc(-c3noc(CNC(=O)c4ccc(Cl)cn4)n3)cc2)C1
SELFIES: [C][N][Branch1][C][C][C][C][C][N][Branch2][Ring2][Branch2][C][=C][C][=C][Branch2][Ring1][N][C][=N][O][C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][=N][Ring1][S][C][=C][Ring2][Ring1][=Branch1][C][Ring2][Ring1][O]
InChI: InChI=1S/C21H23ClN6O2/c1-27(2)17-9-10-28(13-17)16-6-3-14(4-7-16)20-25-19(30-26-20)12-24-21(29)18-8-5-15(22)11-23-18/h3-8,11,17H,9-10,12-13H2,1-2H3,(H,24,29)
SMILES: CN(C)C1CCN(c2ccc(-c3noc(CNC(=O)c4cccnc4)n3)cc2)C1
SELFIES: [C][N][Branch1][C][C][C][C][C][N][Branch2][Ring2][Ring2][C][=C][C][=C][Branch2][Ring1][Branch2][C][=N][O][C][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][#C][C][=C][Ring2][Ring1][Branch1][C][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C21H24N6O2/c1-26(2)18-9-11-27(14-18)17-7-5-15(6-8-17)20-24-19(29-25-20)13-23-21(28)16-4-3-10-22-12-16/h3-8,10,12,18H,9,11,13-14H2,1-2H3,(H,23,28)
SMILES: CN(C)C1CCN(c2ccc(-c3noc(CNC(=O)c4ccc(Cl)nc4)n3)cc2)C1
SELFIES: [C][N][Branch1][C][C][C][C][C][N][Branch2][Ring2][Branch2][C][=C][C][=C][Branch2][Ring1][N][C][=N][O][C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][=N][Ring1][S][C][=C][Ring2][Ring1][=Branch1][C][Ring2][Ring1][O]
InChI: InChI=1S/C21H23ClN6O2/c1-27(2)17-9-10-28(13-17)16-6-3-14(4-7-16)20-25-19(30-26-20)12-24-21(29)15-5-8-18(22)23-11-15/h3-8,11,17H,9-10,12-13H2,1-2H3,(H,24,29)
SMILES: CN(C)C1CCN(c2ccc(-c3noc(CNC(=O)c4ccncc4)n3)cc2)C1
SELFIES: [C][N][Branch1][C][C][C][C][C][N][Branch2][Ring2][Ring2][C][=C][C][=C][Branch2][Ring1][Branch2][C][=N][O][C][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring1][#C][C][=C][Ring2][Ring1][Branch1][C][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C21H24N6O2/c1-26(2)18-9-12-27(14-18)17-5-3-15(4-6-17)20-24-19(29-25-20)13-23-21(28)16-7-10-22-11-8-16/h3-8,10-11,18H,9,12-14H2,1-2H3,(H,23,28)
SMILES: CC(C)CCC(=O)NCc1nc(-c2ccc(N3CCC(N(C)C)C3)cc2)no1
SELFIES: [C][C][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][C][=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][=N][O][Ring2][Ring1][Ring1]
InChI: InChI=1S/C21H31N5O2/c1-15(2)5-10-19(27)22-13-20-23-21(24-28-20)16-6-8-17(9-7-16)26-12-11-18(14-26)25(3)4/h6-9,15,18H,5,10-14H2,1-4H3,(H,22,27)
SMILES: CN(C)C1CCN(c2ccc(-c3noc(CNC(=O)CC4CCCCC4)n3)cc2)C1
SELFIES: [C][N][Branch1][C][C][C][C][C][N][Branch2][Ring2][Branch1][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=N][O][C][Branch1][S][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][Ring1][=Branch1][=N][Ring1][S][C][=C][Ring2][Ring1][=Branch1][C][Ring2][Ring1][O]
InChI: InChI=1S/C23H33N5O2/c1-27(2)20-12-13-28(16-20)19-10-8-18(9-11-19)23-25-22(30-26-23)15-24-21(29)14-17-6-4-3-5-7-17/h8-11,17,20H,3-7,12-16H2,1-2H3,(H,24,29)
SMILES: CN(C)C1CCN(c2ccc(-c3noc(CNCc4ccc(Cl)cc4)n3)cc2)C1
SELFIES: [C][N][Branch1][C][C][C][C][C][N][Branch2][Ring2][Ring2][C][=C][C][=C][Branch2][Ring1][Branch2][C][=N][O][C][Branch1][#C][C][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][#C][C][=C][Ring2][Ring1][Branch1][C][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C22H26ClN5O/c1-27(2)20-11-12-28(15-20)19-9-5-17(6-10-19)22-25-21(29-26-22)14-24-13-16-3-7-18(23)8-4-16/h3-10,20,24H,11-15H2,1-2H3
SMILES: COc1ccc(CNCc2nc(-c3ccc(N4CCC(N(C)C)C4)cc3)no2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][C][N][C][C][=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][=N][O][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][N]
InChI: InChI=1S/C23H29N5O2/c1-27(2)20-12-13-28(16-20)19-8-6-18(7-9-19)23-25-22(30-26-23)15-24-14-17-4-10-21(29-3)11-5-17/h4-11,20,24H,12-16H2,1-3H3
SMILES: CN(C)C1CCN(c2ccc(-c3noc(COCc4ccc(F)cc4)n3)cc2)C1
SELFIES: [C][N][Branch1][C][C][C][C][C][N][Branch2][Ring2][Ring2][C][=C][C][=C][Branch2][Ring1][Branch2][C][=N][O][C][Branch1][#C][C][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][#C][C][=C][Ring2][Ring1][Branch1][C][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C22H25FN4O2/c1-26(2)20-11-12-27(13-20)19-9-5-17(6-10-19)22-24-21(29-25-22)15-28-14-16-3-7-18(23)8-4-16/h3-10,20H,11-15H2,1-2H3
SMILES: COCC1CCCN1C1CCN(c2ccc(-c3nnc(CSCCOc4ccccc4)o3)cc2)C1
SELFIES: [C][O][C][C][C][C][C][N][Ring1][Branch1][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/C27H34N4O3S/c1-32-19-24-6-5-14-31(24)23-13-15-30(18-23)22-11-9-21(10-12-22)27-29-28-26(34-27)20-35-17-16-33-25-7-3-2-4-8-25/h2-4,7-12,23-24H,5-6,13-20H2,1H3
SMILES: c1ccc(OCCSCc2nnc(-c3ccc(N4CCC(N5CCOCC5)C4)cc3)o2)cc1
SELFIES: [C][=C][C][=C][Branch2][Ring2][=N][O][C][C][S][C][C][=N][N][=C][Branch2][Ring1][=N][C][=C][C][=C][Branch2][Ring1][C][N][C][C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][Ring1][O][C][=C][Ring1][P][O][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][P]
InChI: InChI=1S/C25H30N4O3S/c1-2-4-23(5-3-1)31-16-17-33-19-24-26-27-25(32-24)20-6-8-21(9-7-20)29-11-10-22(18-29)28-12-14-30-15-13-28/h1-9,22H,10-19H2
SMILES: CC1CCCN1C1CCN(c2ccc(-c3nnc(CSCCOc4ccccc4)o3)cc2)C1
SELFIES: [C][C][C][C][C][N][Ring1][Branch1][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/C26H32N4O2S/c1-20-6-5-14-30(20)23-13-15-29(18-23)22-11-9-21(10-12-22)26-28-27-25(32-26)19-33-17-16-31-24-7-3-2-4-8-24/h2-4,7-12,20,23H,5-6,13-19H2,1H3
SMILES: c1ccc(OCCSCc2nnc(-c3ccc(N4CCC(N5CCCCC5)C4)cc3)o2)cc1
SELFIES: [C][=C][C][=C][Branch2][Ring2][=N][O][C][C][S][C][C][=N][N][=C][Branch2][Ring1][=N][C][=C][C][=C][Branch2][Ring1][C][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][Ring1][O][C][=C][Ring1][P][O][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][P]
InChI: InChI=1S/C26H32N4O2S/c1-3-7-24(8-4-1)31-17-18-33-20-25-27-28-26(32-25)21-9-11-22(12-10-21)30-16-13-23(19-30)29-14-5-2-6-15-29/h1,3-4,7-12,23H,2,5-6,13-20H2
SMILES: COC1CCN(C2CCN(c3ccc(-c4nnc(CSCCOc5ccccc5)o4)cc3)C2)CC1
SELFIES: [C][O][C][C][C][N][Branch2][Ring2][=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][C][C][Ring2][Ring1][P]
InChI: InChI=1S/C27H34N4O3S/c1-32-24-12-15-30(16-13-24)23-11-14-31(19-23)22-9-7-21(8-10-22)27-29-28-26(34-27)20-35-18-17-33-25-5-3-2-4-6-25/h2-10,23-24H,11-20H2,1H3
SMILES: CN1CCN(C2CCN(c3ccc(-c4nnc(CSCCOc5ccccc5)o4)cc3)C2)CC1
SELFIES: [C][N][C][C][N][Branch2][Ring2][=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][C][C][Ring2][Ring1][P]
InChI: InChI=1S/C26H33N5O2S/c1-29-13-15-30(16-14-29)23-11-12-31(19-23)22-9-7-21(8-10-22)26-28-27-25(33-26)20-34-18-17-32-24-5-3-2-4-6-24/h2-10,23H,11-20H2,1H3
SMILES: CC(=O)N1CCN(C2CCN(c3ccc(-c4nnc(CSCCOc5ccccc5)o4)cc3)C2)CC1
SELFIES: [C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][=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][C][C][Ring2][Ring1][P]
InChI: InChI=1S/C27H33N5O3S/c1-21(33)30-13-15-31(16-14-30)24-11-12-32(19-24)23-9-7-22(8-10-23)27-29-28-26(35-27)20-36-18-17-34-25-5-3-2-4-6-25/h2-10,24H,11-20H2,1H3
SMILES: O=C1CCCN1CCCNC1CCN(c2ccc(-c3nnc(CSCCOc4ccccc4)o3)cc2)C1
SELFIES: [O][=C][C][C][C][N][Ring1][Branch1][C][C][C][N][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/C28H35N5O3S/c34-27-8-4-15-32(27)16-5-14-29-23-13-17-33(20-23)24-11-9-22(10-12-24)28-31-30-26(36-28)21-37-19-18-35-25-6-2-1-3-7-25/h1-3,6-7,9-12,23,29H,4-5,8,13-21H2
SMILES: O=C1NN=CC1CCCNC1CCN(c2ccc(-c3nnc(CSCCOc4ccccc4)o3)cc2)C1
SELFIES: [O][=C][N][N][=C][C][Ring1][Branch1][C][C][C][N][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/C27H32N6O3S/c34-26-21(17-29-31-26)5-4-13-28-22-12-14-33(18-22)23-10-8-20(9-11-23)27-32-30-25(36-27)19-37-16-15-35-24-6-2-1-3-7-24/h1-3,6-11,17,21-22,28H,4-5,12-16,18-19H2,(H,31,34)
SMILES: CC(C)(CO)CNC1CCN(c2ccc(-c3nnc(CSCCOc4ccccc4)o3)cc2)C1
SELFIES: [C][C][Branch1][C][C][Branch1][Ring1][C][O][C][N][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/C26H34N4O3S/c1-26(2,19-31)18-27-21-12-13-30(16-21)22-10-8-20(9-11-22)25-29-28-24(33-25)17-34-15-14-32-23-6-4-3-5-7-23/h3-11,21,27,31H,12-19H2,1-2H3
SMILES: c1ccc(OCCSCc2nnc(-c3ccc(N4CCC(NCCCn5ccnc5)C4)cc3)o2)cc1
SELFIES: [C][=C][C][=C][Branch2][Ring2][P][O][C][C][S][C][C][=N][N][=C][Branch2][Ring1][P][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][C][C][Branch1][N][N][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][Ring1][=C][C][=C][Ring2][Ring1][Ring2][O][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring2][Ring2]
InChI: InChI=1S/C27H32N6O2S/c1-2-5-25(6-3-1)34-17-18-36-20-26-30-31-27(35-26)22-7-9-24(10-8-22)33-15-11-23(19-33)29-12-4-14-32-16-13-28-21-32/h1-3,5-10,13,16,21,23,29H,4,11-12,14-15,17-20H2