EdisonScientific/glyph-datasets huggingface dataset:
SMILES: Cc1oc(-c2ccc(Cl)cc2)cc1-c1nnc(-c2ccc(N3CCC(N(C)C)C3)cc2)o1
SELFIES: [C][C][O][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][C][=Ring1][N][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/C25H25ClN4O2/c1-16-22(14-23(31-16)17-4-8-19(26)9-5-17)25-28-27-24(32-25)18-6-10-20(11-7-18)30-13-12-21(15-30)29(2)3/h4-11,14,21H,12-13,15H2,1-3H3
SMILES: CCCCCC1CCC(c2nnc(-c3ccc(N4CCC(N(C)C)C4)cc3)o2)CC1
SELFIES: [C][C][C][C][C][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/C25H38N4O/c1-4-5-6-7-19-8-10-20(11-9-19)24-26-27-25(30-24)21-12-14-22(15-13-21)29-17-16-23(18-29)28(2)3/h12-15,19-20,23H,4-11,16-18H2,1-3H3
SMILES: COc1cccc(CCc2nnc(-c3ccc(N4CCC(N(C)C)C4)cc3)o2)c1
SELFIES: [C][O][C][=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][Ring2][Ring1][O]
InChI: InChI=1S/C23H28N4O2/c1-26(2)20-13-14-27(16-20)19-10-8-18(9-11-19)23-25-24-22(29-23)12-7-17-5-4-6-21(15-17)28-3/h4-6,8-11,15,20H,7,12-14,16H2,1-3H3
SMILES: CC(C)c1ccc(OCc2nnc(-c3ccc(N4CCC(N(C)C)C4)cc3)o2)cc1
SELFIES: [C][C][Branch1][C][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][=C][Ring2][Ring1][O]
InChI: InChI=1S/C24H30N4O2/c1-17(2)18-7-11-22(12-8-18)29-16-23-25-26-24(30-23)19-5-9-20(10-6-19)28-14-13-21(15-28)27(3)4/h5-12,17,21H,13-16H2,1-4H3
SMILES: COc1ccc(SCc2nnc(-c3ccc(N4CCC(N(C)C)C4)cc3)o2)cc1OC
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][S][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/C23H28N4O3S/c1-26(2)18-11-12-27(14-18)17-7-5-16(6-8-17)23-25-24-22(30-23)15-31-19-9-10-20(28-3)21(13-19)29-4/h5-10,13,18H,11-12,14-15H2,1-4H3
SMILES: Cc1nn(Cc2cccc(-c3nnc(-c4ccc(N5CCC(N(C)C)C5)cc4)o3)c2)c(C)c1Br
SELFIES: [C][C][=N][N][Branch2][Ring2][P][C][C][=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][Ring2][Ring1][=Branch2][C][Branch1][C][C][=C][Ring2][Ring1][S][Br]
InChI: InChI=1S/C26H29BrN6O/c1-17-24(27)18(2)33(30-17)15-19-6-5-7-21(14-19)26-29-28-25(34-26)20-8-10-22(11-9-20)32-13-12-23(16-32)31(3)4/h5-11,14,23H,12-13,15-16H2,1-4H3
SMILES: Cc1oc(-c2ccccc2)nc1Cc1nnc(-c2ccc(N3CCC(N(C)C)C3)cc2)o1
SELFIES: [C][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][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]
InChI: InChI=1S/C25H27N5O2/c1-17-22(26-24(31-17)18-7-5-4-6-8-18)15-23-27-28-25(32-23)19-9-11-20(12-10-19)30-14-13-21(16-30)29(2)3/h4-12,21H,13-16H2,1-3H3
SMILES: Cc1nn(Cc2ccc(-c3nnc(-c4ccc(N5CCC(N(C)C)C5)cc4)o3)o2)c(C)c1Br
SELFIES: [C][C][=N][N][Branch2][Ring2][S][C][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][O][Ring2][Ring1][Branch2][C][Branch1][C][C][=C][Ring2][Ring1][#C][Br]
InChI: InChI=1S/C24H27BrN6O2/c1-15-22(25)16(2)31(28-15)14-20-9-10-21(32-20)24-27-26-23(33-24)17-5-7-18(8-6-17)30-12-11-19(13-30)29(3)4/h5-10,19H,11-14H2,1-4H3
SMILES: COc1ccc(-c2nnc(-c3ccc(N4CCC(N(C)C)C4)cc3)o2)cc1OC1CCCC1
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][Ring1][Branch1]
InChI: InChI=1S/C26H32N4O3/c1-29(2)21-14-15-30(17-21)20-11-8-18(9-12-20)25-27-28-26(33-25)19-10-13-23(31-3)24(16-19)32-22-6-4-5-7-22/h8-13,16,21-22H,4-7,14-15,17H2,1-3H3
SMILES: CN(C)C1CCN(c2ccc(-c3nnc(-c4ccc(-c5cccc(C(F)(F)F)c5)o4)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][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][O][Ring1][#C][O][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2][C][Ring2][Ring1][#C]
InChI: InChI=1S/C25H23F3N4O2/c1-31(2)20-12-13-32(15-20)19-8-6-16(7-9-19)23-29-30-24(34-23)22-11-10-21(33-22)17-4-3-5-18(14-17)25(26,27)28/h3-11,14,20H,12-13,15H2,1-2H3
SMILES: Cc1ccc(-c2ccc(-c3nnc(-c4ccc(N5CCC(N(C)C)C5)cc4)o3)o2)c([N+](=O)[O-])c1
SELFIES: [C][C][=C][C][=C][Branch2][Ring2][#C][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][O][Ring2][Ring1][Branch2][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring2][Ring1][P]
InChI: InChI=1S/C25H25N5O4/c1-16-4-9-20(21(14-16)30(31)32)22-10-11-23(33-22)25-27-26-24(34-25)17-5-7-18(8-6-17)29-13-12-19(15-29)28(2)3/h4-11,14,19H,12-13,15H2,1-3H3
SMILES: CN(C)C1CCN(c2ccc(-c3nnc(-c4ccc(-c5cc(C(F)(F)F)ccc5Cl)o4)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][Branch2][Ring1][Ring2][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][Cl][O][Ring1][S][O][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][O][C][Ring2][Ring1][S]
InChI: InChI=1S/C25H22ClF3N4O2/c1-32(2)18-11-12-33(14-18)17-6-3-15(4-7-17)23-30-31-24(35-23)22-10-9-21(34-22)19-13-16(25(27,28)29)5-8-20(19)26/h3-10,13,18H,11-12,14H2,1-2H3
SMILES: CN(C)C1CCN(c2ccc(-c3nnc(CCCc4ccc5c(c4)OCCO5)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][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][O][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2][C][Ring2][Ring1][=N]
InChI: InChI=1S/C25H30N4O3/c1-28(2)21-12-13-29(17-21)20-9-7-19(8-10-20)25-27-26-24(32-25)5-3-4-18-6-11-22-23(16-18)31-15-14-30-22/h6-11,16,21H,3-5,12-15,17H2,1-2H3
SMILES: Cc1cc(-c2nnc(-c3ccc(N4CCC(N(C)C)C4)cc3)o2)c(C)n1Cc1cccs1
SELFIES: [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][Branch1][C][C][N][Ring2][Ring1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1]
InChI: InChI=1S/C25H29N5OS/c1-17-14-23(18(2)30(17)16-22-6-5-13-32-22)25-27-26-24(31-25)19-7-9-20(10-8-19)29-12-11-21(15-29)28(3)4/h5-10,13-14,21H,11-12,15-16H2,1-4H3
SMILES: CN(C)C1CCN(c2ccc(-c3nnc(-c4ccc(Cn5cnc6ccccc65)cc4)o3)cc2)C1
SELFIES: [C][N][Branch1][C][C][C][C][C][N][Branch2][Ring2][S][C][=C][C][=C][Branch2][Ring2][Ring2][C][=N][N][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][#C][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring1][S][O][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][O][C][Ring2][Ring1][S]
InChI: InChI=1S/C28H28N6O/c1-32(2)24-15-16-33(18-24)23-13-11-22(12-14-23)28-31-30-27(35-28)21-9-7-20(8-10-21)17-34-19-29-25-5-3-4-6-26(25)34/h3-14,19,24H,15-18H2,1-2H3
SMILES: CSc1ccc(-n2c(-c3ccccc3)cc(-c3nnc(-c4ccc(N5CCC(N(C)C)C5)cc4)o3)c2C)cc1
SELFIES: [C][S][C][=C][C][=C][Branch2][Branch1][#Branch2][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=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][Ring2][Ring1][=C][C][C][=C][Ring2][Ring2][Branch1]
InChI: InChI=1S/C32H33N5OS/c1-22-29(20-30(23-8-6-5-7-9-23)37(22)26-14-16-28(39-4)17-15-26)32-34-33-31(38-32)24-10-12-25(13-11-24)36-19-18-27(21-36)35(2)3/h5-17,20,27H,18-19,21H2,1-4H3
SMILES: CCc1ccc(-c2ccc(-c3nnc(-c4ccc(N5CCC(N(C)C)C5)cc4)o3)cc2)cc1
SELFIES: [C][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/C28H30N4O/c1-4-20-5-7-21(8-6-20)22-9-11-23(12-10-22)27-29-30-28(33-27)24-13-15-25(16-14-24)32-18-17-26(19-32)31(2)3/h5-16,26H,4,17-19H2,1-3H3
SMILES: CN(C)C1CCN(c2ccc(-c3nnc(-c4cn(Cc5ccccc5)c5ccccc45)o3)cc2)C1
SELFIES: [C][N][Branch1][C][C][C][C][C][N][Branch2][Ring2][S][C][=C][C][=C][Branch2][Ring2][Ring2][C][=N][N][=C][Branch2][Ring1][=Branch2][C][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1][O][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][O][C][Ring2][Ring1][S]
InChI: InChI=1S/C29H29N5O/c1-32(2)24-16-17-33(19-24)23-14-12-22(13-15-23)28-30-31-29(35-28)26-20-34(18-21-8-4-3-5-9-21)27-11-7-6-10-25(26)27/h3-15,20,24H,16-19H2,1-2H3
SMILES: CC(C)Oc1ccc(/C=C/c2nnc(-c3ccc(N4CCC(N(C)C)C4)cc3)o2)cc1
SELFIES: [C][C][Branch1][C][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]
InChI: InChI=1S/C25H30N4O2/c1-18(2)30-23-12-5-19(6-13-23)7-14-24-26-27-25(31-24)20-8-10-21(11-9-20)29-16-15-22(17-29)28(3)4/h5-14,18,22H,15-17H2,1-4H3/b14-7+
SMILES: Cc1ccc(N2CC(c3nnc(-c4ccc(N5CCC(N(C)C)C5)cc4)o3)CC2=O)cc1
SELFIES: [C][C][=C][C][=C][Branch2][Ring2][S][N][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][Ring2][Ring1][#C]
InChI: InChI=1S/C25H29N5O2/c1-17-4-8-21(9-5-17)30-15-19(14-23(30)31)25-27-26-24(32-25)18-6-10-20(11-7-18)29-13-12-22(16-29)28(2)3/h4-11,19,22H,12-16H2,1-3H3
SMILES: Cc1ccc(CSCCc2nnc(-c3ccc(N4CCC(N(C)C)C4)cc3)o2)cc1
SELFIES: [C][C][=C][C][=C][Branch2][Ring2][Branch2][C][S][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][=N]
InChI: InChI=1S/C24H30N4OS/c1-18-4-6-19(7-5-18)17-30-15-13-23-25-26-24(29-23)20-8-10-21(11-9-20)28-14-12-22(16-28)27(2)3/h4-11,22H,12-17H2,1-3H3
SMILES: CN(C)C1CCN(c2ccc(-c3nnc(CCCCc4ccc(F)cc4)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][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][Ring1][S][C][=C][Ring2][Ring1][=Branch1][C][Ring2][Ring1][O]
InChI: InChI=1S/C24H29FN4O/c1-28(2)22-15-16-29(17-22)21-13-9-19(10-14-21)24-27-26-23(30-24)6-4-3-5-18-7-11-20(25)12-8-18/h7-14,22H,3-6,15-17H2,1-2H3
SMILES: CSc1ccc(OCc2nnc(-c3ccc(N4CCC(N(C)C)C4)cc3)o2)cc1
SELFIES: [C][S][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/C22H26N4O2S/c1-25(2)18-12-13-26(14-18)17-6-4-16(5-7-17)22-24-23-21(28-22)15-27-19-8-10-20(29-3)11-9-19/h4-11,18H,12-15H2,1-3H3
SMILES: CC(C)c1ccc(/C=C/c2nnc(-c3ccc(N4CCC(N(C)C)C4)cc3)o2)cc1
SELFIES: [C][C][Branch1][C][C][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]
InChI: InChI=1S/C25H30N4O/c1-18(2)20-8-5-19(6-9-20)7-14-24-26-27-25(30-24)21-10-12-22(13-11-21)29-16-15-23(17-29)28(3)4/h5-14,18,23H,15-17H2,1-4H3/b14-7+
SMILES: CC(Oc1ccc(-c2ccccc2)cc1)c1nnc(-c2ccc(N3CCC(N(C)C)C3)cc2)o1
SELFIES: [C][C][Branch2][Ring1][Ring2][O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][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/C28H30N4O2/c1-20(33-26-15-11-22(12-16-26)21-7-5-4-6-8-21)27-29-30-28(34-27)23-9-13-24(14-10-23)32-18-17-25(19-32)31(2)3/h4-16,20,25H,17-19H2,1-3H3
SMILES: Cc1cccc(C(=O)Nc2cccc(-c3nnc(-c4ccc(N5CCC(N(C)C)C5)cc4)o3)c2)c1
SELFIES: [C][C][=C][C][=C][C][Branch2][Branch1][Branch1][C][=Branch1][C][=O][N][C][=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][Ring2][Ring1][=Branch2][=C][Ring2][Ring2][C]
InChI: InChI=1S/C28H29N5O2/c1-19-6-4-7-21(16-19)26(34)29-23-9-5-8-22(17-23)28-31-30-27(35-28)20-10-12-24(13-11-20)33-15-14-25(18-33)32(2)3/h4-13,16-17,25H,14-15,18H2,1-3H3,(H,29,34)
SMILES: CC(Cc1nnc(-c2ccc(N3CCC(N(C)C)C3)cc2)o1)Sc1ccc(Cl)cc1
SELFIES: [C][C][Branch2][Ring2][Branch1][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][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C23H27ClN4OS/c1-16(30-21-10-6-18(24)7-11-21)14-22-25-26-23(29-22)17-4-8-19(9-5-17)28-13-12-20(15-28)27(2)3/h4-11,16,20H,12-15H2,1-3H3
SMILES: CN(C)C1CCN(c2ccc(-c3nnc(-c4ccc(S(=O)(=O)c5ccccc5)cc4)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][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#C][O][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2][C][Ring2][Ring1][#C]
InChI: InChI=1S/C26H26N4O3S/c1-29(2)22-16-17-30(18-22)21-12-8-19(9-13-21)25-27-28-26(33-25)20-10-14-24(15-11-20)34(31,32)23-6-4-3-5-7-23/h3-15,22H,16-18H2,1-2H3
SMILES: CN(C)C1CCN(c2ccc(-c3nnc(-c4cccc(NC(=O)Cc5ccccc5)c4)o3)cc2)C1
SELFIES: [C][N][Branch1][C][C][C][C][C][N][Branch2][Ring2][S][C][=C][C][=C][Branch2][Ring2][Ring2][C][=N][N][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S][O][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][O][C][Ring2][Ring1][S]
InChI: InChI=1S/C28H29N5O2/c1-32(2)25-15-16-33(19-25)24-13-11-21(12-14-24)27-30-31-28(35-27)22-9-6-10-23(18-22)29-26(34)17-20-7-4-3-5-8-20/h3-14,18,25H,15-17,19H2,1-2H3,(H,29,34)
SMILES: CN(C)C1CCN(c2ccc(-c3nnc(Cn4ccc(-c5ccccc5)n4)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][Ring1][C][N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O][O][Ring1][P][C][=C][Ring2][Ring1][#Branch1][C][Ring2][Ring1][N]
InChI: InChI=1S/C24H26N6O/c1-28(2)21-12-14-29(16-21)20-10-8-19(9-11-20)24-26-25-23(31-24)17-30-15-13-22(27-30)18-6-4-3-5-7-18/h3-11,13,15,21H,12,14,16-17H2,1-2H3
SMILES: Cc1ccc(-c2nc(-c3nnc(-c4ccc(N5CCC(N(C)C)C5)cc4)o3)cs2)cc1
SELFIES: [C][C][=C][C][=C][Branch2][Ring2][#C][C][=N][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][S][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][=C]
InChI: InChI=1S/C24H25N5OS/c1-16-4-6-18(7-5-16)24-25-21(15-31-24)23-27-26-22(30-23)17-8-10-19(11-9-17)29-13-12-20(14-29)28(2)3/h4-11,15,20H,12-14H2,1-3H3
SMILES: CN(C)C1CCN(c2ccc(-c3nnc(-c4ccc(-c5ccc(C#N)cc5)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][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=C][Ring1][=C][O][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2][C][Ring2][Ring1][=C]
InChI: InChI=1S/C27H25N5O/c1-31(2)25-15-16-32(18-25)24-13-11-23(12-14-24)27-30-29-26(33-27)22-9-7-21(8-10-22)20-5-3-19(17-28)4-6-20/h3-14,25H,15-16,18H2,1-2H3
SMILES: CN(C)C1CCN(c2ccc(-c3nnc(-c4ccc(C#Cc5ccccc5)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][Branch1][O][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=N][O][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2][C][Ring2][Ring1][=N]
InChI: InChI=1S/C26H24N4O2/c1-29(2)22-16-17-30(18-22)21-11-9-20(10-12-21)25-27-28-26(32-25)24-15-14-23(31-24)13-8-19-6-4-3-5-7-19/h3-7,9-12,14-15,22H,16-18H2,1-2H3
SMILES: CN(C)C1CCN(c2ccc(-c3nnc(-c4ccc(-c5ccc(F)cc5)s4)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][F][C][=C][Ring1][#Branch1][S][Ring1][N][O][Ring1][P][C][=C][Ring2][Ring1][#Branch1][C][Ring2][Ring1][N]
InChI: InChI=1S/C24H23FN4OS/c1-28(2)20-13-14-29(15-20)19-9-5-17(6-10-19)23-26-27-24(30-23)22-12-11-21(31-22)16-3-7-18(25)8-4-16/h3-12,20H,13-15H2,1-2H3
SMILES: CN(C)C1CCN(c2ccc(-c3nnc(/C=C/c4ccc(OCCCF)cc4)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][Branch1][=Branch1][O][C][C][C][F][C][=C][Ring1][O][O][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2][C][Ring2][Ring1][=N]
InChI: InChI=1S/C25H29FN4O2/c1-29(2)22-14-16-30(18-22)21-9-7-20(8-10-21)25-28-27-24(32-25)13-6-19-4-11-23(12-5-19)31-17-3-15-26/h4-13,22H,3,14-18H2,1-2H3/b13-6+
SMILES: CN(C)C1CCN(c2ccc(-c3nnc(Cc4ccc(-c5ccc(F)cc5)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][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][=N][O][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2][C][Ring2][Ring1][=C]
InChI: InChI=1S/C27H27FN4O/c1-31(2)25-15-16-32(18-25)24-13-9-22(10-14-24)27-30-29-26(33-27)17-19-3-5-20(6-4-19)21-7-11-23(28)12-8-21/h3-14,25H,15-18H2,1-2H3
SMILES: CN(C)C1CCN(c2ccc(-c3nnc([C@H]4CC[C@@H](C(=O)c5ccc(F)cc5)CC4)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@H1][C][C][C@@H1][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][#C][O][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2][C][Ring2][Ring1][#C]
InChI: InChI=1S/C27H31FN4O2/c1-31(2)24-15-16-32(17-24)23-13-9-21(10-14-23)27-30-29-26(34-27)20-5-3-18(4-6-20)25(33)19-7-11-22(28)12-8-19/h7-14,18,20,24H,3-6,15-17H2,1-2H3/t18-,20+,24?
SMILES: CN(C)C1CCN(c2ccc(-c3nnc(-c4ccc(COc5ccccc5Cl)o4)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][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][O][Ring1][=C][O][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2][C][Ring2][Ring1][=C]
InChI: InChI=1S/C25H25ClN4O3/c1-29(2)19-13-14-30(15-19)18-9-7-17(8-10-18)24-27-28-25(33-24)23-12-11-20(32-23)16-31-22-6-4-3-5-21(22)26/h3-12,19H,13-16H2,1-2H3
SMILES: CN(C)C1CCN(c2ccc(-c3nnc(/C=C/c4cccc(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/C23H23F3N4O2/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/h3-11,14,19H,12-13,15H2,1-2H3/b11-6+
SMILES: CN(C)C1CCN(c2ccc(-c3nnc(/C=C/c4ccc(C#N)cc4)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][/C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][O][Ring1][#C][C][=C][Ring2][Ring1][Branch1][C][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C23H23N5O/c1-27(2)21-13-14-28(16-21)20-10-8-19(9-11-20)23-26-25-22(29-23)12-7-17-3-5-18(15-24)6-4-17/h3-12,21H,13-14,16H2,1-2H3/b12-7+
SMILES: C.C[C@@H](c1ccc(-c2ccccc2)c(F)c1)c1nnc(-c2ccc(N3CCC(N(C)C)C3)cc2)o1
SELFIES: [C].[C][C@@H1][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][=C][Ring1][=N][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/C28H29FN4O.CH4/c1-19(22-11-14-25(26(29)17-22)20-7-5-4-6-8-20)27-30-31-28(34-27)21-9-12-23(13-10-21)33-16-15-24(18-33)32(2)3;/h4-14,17,19,24H,15-16,18H2,1-3H3;1H4/t19-,24?;/m0./s1
SMILES: CN(C)C1CCN(c2ccc(-c3nnc([C@@H]4CC[C@H](C(=O)c5ccc(F)cc5)C4)o3)cc2)C1
SELFIES: [C][N][Branch1][C][C][C][C][C][N][Branch2][Ring2][S][C][=C][C][=C][Branch2][Ring2][Ring2][C][=N][N][=C][Branch2][Ring1][=Branch2][C@@H1][C][C][C@H1][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=C][O][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2][C][Ring2][Ring1][=C]
InChI: InChI=1S/C26H29FN4O2/c1-30(2)23-13-14-31(16-23)22-11-7-18(8-12-22)25-28-29-26(33-25)20-4-3-19(15-20)24(32)17-5-9-21(27)10-6-17/h5-12,19-20,23H,3-4,13-16H2,1-2H3/t19-,20+,23?/m0/s1
SMILES: CN(C)C1CCN(c2ccc(-c3nnc(CSc4ccc(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][S][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/C22H23F3N4OS/c1-28(2)18-11-12-29(13-18)17-7-3-15(4-8-17)21-27-26-20(30-21)14-31-19-9-5-16(6-10-19)22(23,24)25/h3-10,18H,11-14H2,1-2H3
SMILES: CN(C)C1CCN(c2ccc(-c3nnc(Cc4csc(-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][C][=C][S][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/C24H24ClN5OS/c1-29(2)21-11-12-30(14-21)20-9-5-16(6-10-20)23-28-27-22(31-23)13-19-15-32-24(26-19)17-3-7-18(25)8-4-17/h3-10,15,21H,11-14H2,1-2H3
SMILES: CN(C)C1CCN(c2ccc(-c3nnc(-c4ccc(Cc5ccc(Cl)cc5)o4)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][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][Ring1][=N][O][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2][C][Ring2][Ring1][=N]
InChI: InChI=1S/C25H25ClN4O2/c1-29(2)21-13-14-30(16-21)20-9-5-18(6-10-20)24-27-28-25(32-24)23-12-11-22(31-23)15-17-3-7-19(26)8-4-17/h3-12,21H,13-16H2,1-2H3