EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCc1cnc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2cc(Cl)ccc2Cl)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring2][O][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][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][N][=C][Ring2][Ring1][#C]
InChI: InChI=1S/C25H27Cl2N3O3/c1-4-17-14-28-24(29-15-17)30(16-19-13-20(26)7-10-22(19)27)12-11-18-5-8-21(9-6-18)33-25(2,3)23(31)32/h5-10,13-15H,4,11-12,16H2,1-3H3,(H,31,32)
SMILES: CCc1cnc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(C(C)C)cc2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring2][=C][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][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][N][=C][Ring2][Ring1][S]
InChI: InChI=1S/C28H35N3O3/c1-6-21-17-29-27(30-18-21)31(19-23-7-11-24(12-8-23)20(2)3)16-15-22-9-13-25(14-10-22)34-28(4,5)26(32)33/h7-14,17-18,20H,6,15-16,19H2,1-5H3,(H,32,33)
SMILES: CCc1cnc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccccc2Cl)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring2][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][C][=C][Ring1][=Branch1][Cl][N][=C][Ring2][Ring1][=C]
InChI: InChI=1S/C25H28ClN3O3/c1-4-18-15-27-24(28-16-18)29(17-20-7-5-6-8-22(20)26)14-13-19-9-11-21(12-10-19)32-25(2,3)23(30)31/h5-12,15-16H,4,13-14,17H2,1-3H3,(H,30,31)
SMILES: CCc1cnc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2cc(C)cc(C)c2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring2][=N][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][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][N][=C][Ring2][Ring1][#C]
InChI: InChI=1S/C27H33N3O3/c1-6-21-16-28-26(29-17-21)30(18-23-14-19(2)13-20(3)15-23)12-11-22-7-9-24(10-8-22)33-27(4,5)25(31)32/h7-10,13-17H,6,11-12,18H2,1-5H3,(H,31,32)
SMILES: CCc1cnc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(OC)c(C)c2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring2][=C][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][Ring1][O][C][C][Branch1][C][C][=C][Ring1][=Branch2][N][=C][Ring2][Ring1][S]
InChI: InChI=1S/C27H33N3O4/c1-6-20-16-28-26(29-17-20)30(18-22-9-12-24(33-5)19(2)15-22)14-13-21-7-10-23(11-8-21)34-27(3,4)25(31)32/h7-12,15-17H,6,13-14,18H2,1-5H3,(H,31,32)
SMILES: CCc1cnc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(C)cc2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring2][#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][C][C][C][=C][Ring1][#Branch1][N][=C][Ring2][Ring1][=C]
InChI: InChI=1S/C26H31N3O3/c1-5-20-16-27-25(28-17-20)29(18-22-8-6-19(2)7-9-22)15-14-21-10-12-23(13-11-21)32-26(3,4)24(30)31/h6-13,16-17H,5,14-15,18H2,1-4H3,(H,30,31)
SMILES: CCc1cnc(N(CCc2ccc(OC(C)C(=O)O)cc2)Cc2ccc(OC(F)(F)F)cc2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring2][#C][N][Branch2][Ring1][#Branch1][C][C][C][=C][C][=C][Branch1][O][O][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][N][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][N][=C][Ring2][Ring1][P]
InChI: InChI=1S/C25H26F3N3O4/c1-3-18-14-29-24(30-15-18)31(16-20-6-10-22(11-7-20)35-25(26,27)28)13-12-19-4-8-21(9-5-19)34-17(2)23(32)33/h4-11,14-15,17H,3,12-13,16H2,1-2H3,(H,32,33)
SMILES: CCc1cnc(N(CCc2ccc(O)cc2)Cc2ccc(C(F)(F)F)cc2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring2][Ring2][N][Branch1][=C][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][=C][Ring2][Ring1][O]
InChI: InChI=1S/C22H22F3N3O/c1-2-16-13-26-21(27-14-16)28(12-11-17-5-9-20(29)10-6-17)15-18-3-7-19(8-4-18)22(23,24)25/h3-10,13-14,29H,2,11-12,15H2,1H3
SMILES: CCc1cnc(N(CCc2ccc(OCC(=O)O)cc2)Cc2ccc(C(F)(F)F)cc2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring2][O][N][Branch2][Ring1][Ring2][C][C][C][=C][C][=C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][C][=C][Ring1][O][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][=C][Ring2][Ring1][#C]
InChI: InChI=1S/C24H24F3N3O3/c1-2-17-13-28-23(29-14-17)30(15-19-3-7-20(8-4-19)24(25,26)27)12-11-18-5-9-21(10-6-18)33-16-22(31)32/h3-10,13-14H,2,11-12,15-16H2,1H3,(H,31,32)
SMILES: CCc1cnc(N(CCc2ccc(OC(C)C(=O)O)cc2)Cc2ccc(C(F)(F)F)cc2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring2][=C][N][Branch2][Ring1][#Branch1][C][C][C][=C][C][=C][Branch1][O][O][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][=C][Ring2][Ring1][S]
InChI: InChI=1S/C25H26F3N3O3/c1-3-18-14-29-24(30-15-18)31(16-20-4-8-21(9-5-20)25(26,27)28)13-12-19-6-10-22(11-7-19)34-17(2)23(32)33/h4-11,14-15,17H,3,12-13,16H2,1-2H3,(H,32,33)
SMILES: CCc1cnc(N(CCc2ccc(OC(CC)C(=O)O)cc2)Cc2ccc(C(F)(F)F)cc2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring2][#C][N][Branch2][Ring1][Branch2][C][C][C][=C][C][=C][Branch1][N][O][C][Branch1][Ring1][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][=C][Ring2][Ring1][P]
InChI: InChI=1S/C26H28F3N3O3/c1-3-18-15-30-25(31-16-18)32(17-20-5-9-21(10-6-20)26(27,28)29)14-13-19-7-11-22(12-8-19)35-23(4-2)24(33)34/h5-12,15-16,23H,3-4,13-14,17H2,1-2H3,(H,33,34)
SMILES: CCc1cnc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(-c3noc(C(C)C)n3)cc2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Branch1][#Branch1][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][#C][C][=N][O][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][Ring1][Branch2][C][=C][Ring1][=C][N][=C][Ring2][Ring2][Branch1]
InChI: InChI=1S/C30H35N5O4/c1-6-21-17-31-29(32-18-21)35(16-15-22-9-13-25(14-10-22)38-30(4,5)28(36)37)19-23-7-11-24(12-8-23)26-33-27(20(2)3)39-34-26/h7-14,17-18,20H,6,15-16,19H2,1-5H3,(H,36,37)
SMILES: CCc1cnc(N(CCc2ccc(O)cc2)Cc2ccc(OC(F)(F)F)cc2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring2][Branch1][N][Branch1][=C][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][N][=C][Ring2][Ring1][N]
InChI: InChI=1S/C22H22F3N3O2/c1-2-16-13-26-21(27-14-16)28(12-11-17-3-7-19(29)8-4-17)15-18-5-9-20(10-6-18)30-22(23,24)25/h3-10,13-14,29H,2,11-12,15H2,1H3
SMILES: CCc1cnc(N(CCc2ccc(OCC(=O)O)cc2)Cc2ccc(OC(F)(F)F)cc2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring2][N][N][Branch2][Ring1][Ring2][C][C][C][=C][C][=C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][C][=C][Ring1][O][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][N][=C][Ring2][Ring1][S]
InChI: InChI=1S/C24H24F3N3O4/c1-2-17-13-28-23(29-14-17)30(15-19-5-9-21(10-6-19)34-24(25,26)27)12-11-18-3-7-20(8-4-18)33-16-22(31)32/h3-10,13-14H,2,11-12,15-16H2,1H3,(H,31,32)
SMILES: CCCc1cc(CCN(Cc2ccc(OC(F)(F)F)cc2)c2ncc(CC)cn2)ccc1O
SELFIES: [C][C][C][C][=C][C][Branch2][Ring2][#Branch1][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][=C][Branch1][Ring1][C][C][C][=N][Ring1][Branch2][=C][C][=C][Ring2][Ring1][=N][O]
InChI: InChI=1S/C25H28F3N3O2/c1-3-5-21-14-19(8-11-23(21)32)12-13-31(24-29-15-18(4-2)16-30-24)17-20-6-9-22(10-7-20)33-25(26,27)28/h6-11,14-16,32H,3-5,12-13,17H2,1-2H3
SMILES: CCCc1cc(CCN(Cc2ccc(OC(F)(F)F)cc2)c2ncc(CC)cn2)ccc1OCC(=O)O
SELFIES: [C][C][C][C][=C][C][Branch2][Ring2][#Branch1][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][=C][Branch1][Ring1][C][C][C][=N][Ring1][Branch2][=C][C][=C][Ring2][Ring1][=N][O][C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C27H30F3N3O4/c1-3-5-22-14-20(8-11-24(22)36-18-25(34)35)12-13-33(26-31-15-19(4-2)16-32-26)17-21-6-9-23(10-7-21)37-27(28,29)30/h6-11,14-16H,3-5,12-13,17-18H2,1-2H3,(H,34,35)
SMILES: CCCc1cc(CCN(Cc2ccc(OC(F)(F)F)cc2)c2ncc(CC)cn2)ccc1OCc1nn[nH]n1
SELFIES: [C][C][C][C][=C][C][Branch2][Ring2][#Branch1][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][=C][Branch1][Ring1][C][C][C][=N][Ring1][Branch2][=C][C][=C][Ring2][Ring1][=N][O][C][C][N][=N][NH1][N][=Ring1][Branch1]
InChI: InChI=1S/C27H30F3N7O2/c1-3-5-22-14-20(8-11-24(22)38-18-25-33-35-36-34-25)12-13-37(26-31-15-19(4-2)16-32-26)17-21-6-9-23(10-7-21)39-27(28,29)30/h6-11,14-16H,3-5,12-13,17-18H2,1-2H3,(H,33,34,35,36)
SMILES: COc1ccc(C(C)(C)CN)cc1
SELFIES: [C][O][C][=C][C][=C][Branch1][#Branch2][C][Branch1][C][C][Branch1][C][C][C][N][C][=C][Ring1][O]
InChI: InChI=1S/C11H17NO/c1-11(2,8-12)9-4-6-10(13-3)7-5-9/h4-7H,8,12H2,1-3H3
SMILES: CCc1cnc(N(Cc2ccc(C(F)(F)F)cc2)CC(C)(C)c2ccc(OC(C)(C)C(=O)O)cc2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Branch1][#Branch1][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][C][Branch1][C][C][Branch1][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][N][=C][Ring2][Ring2][Ring1]
InChI: InChI=1S/C28H32F3N3O3/c1-6-19-15-32-25(33-16-19)34(17-20-7-9-22(10-8-20)28(29,30)31)18-26(2,3)21-11-13-23(14-12-21)37-27(4,5)24(35)36/h7-16H,6,17-18H2,1-5H3,(H,35,36)
SMILES: COc1ccc(C(C)(C)CNCc2ccc(OC(F)(F)F)cc2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][=C][C][Branch1][C][C][Branch1][C][C][C][N][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][=C][Ring2][Ring1][#Branch1]
InChI: InChI=1S/C19H22F3NO2/c1-18(2,15-6-10-16(24-3)11-7-15)13-23-12-14-4-8-17(9-5-14)25-19(20,21)22/h4-11,23H,12-13H2,1-3H3
SMILES: CC(C)(Oc1ccc(C(C)(C)CN(Cc2ccc(OC(F)(F)F)cc2)c2ncccn2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][=Branch1][O][C][=C][C][=C][Branch2][Ring2][=Branch2][C][Branch1][C][C][Branch1][C][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][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][=N][C][=Branch1][C][=O][O]
InChI: InChI=1S/C26H28F3N3O4/c1-24(2,19-8-12-20(13-9-19)35-25(3,4)22(33)34)17-32(23-30-14-5-15-31-23)16-18-6-10-21(11-7-18)36-26(27,28)29/h5-15H,16-17H2,1-4H3,(H,33,34)
SMILES: CCc1cnc(N(Cc2ccc(OC(F)(F)F)cc2)CC(C)(C)c2ccc(O)cc2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring2][N][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][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][=C][Ring2][Ring1][=C]
InChI: InChI=1S/C24H26F3N3O2/c1-4-17-13-28-22(29-14-17)30(16-23(2,3)19-7-9-20(31)10-8-19)15-18-5-11-21(12-6-18)32-24(25,26)27/h5-14,31H,4,15-16H2,1-3H3
SMILES: CCc1cnc(N(Cc2ccc(OC(F)(F)F)cc2)CC(C)(C)c2ccc(OC(C)(C)C(=O)O)cc2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Branch1][Branch2][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][C][Branch1][C][C][Branch1][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][N][=C][Ring2][Ring2][Ring2]
InChI: InChI=1S/C28H32F3N3O4/c1-6-19-15-32-25(33-16-19)34(17-20-7-11-23(12-8-20)38-28(29,30)31)18-26(2,3)21-9-13-22(14-10-21)37-27(4,5)24(35)36/h7-16H,6,17-18H2,1-5H3,(H,35,36)
SMILES: CCc1cnc(N(Cc2ccc(OC(F)(F)F)cc2)CC(C)(C)c2ccc(OCC(=O)O)cc2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Branch1][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][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][C][=C][Ring1][O][N][=C][Ring2][Ring2][C]
InChI: InChI=1S/C26H28F3N3O4/c1-4-18-13-30-24(31-14-18)32(15-19-5-9-22(10-6-19)36-26(27,28)29)17-25(2,3)20-7-11-21(12-8-20)35-16-23(33)34/h5-14H,4,15-17H2,1-3H3,(H,33,34)
SMILES: CCc1cnc(N(Cc2ccc(OC(F)(F)F)cc2)CC(C)(C)c2ccc(OCC3=NNNN3)cc2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Branch1][Ring2][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][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][#Branch2][O][C][C][=N][N][N][N][Ring1][Branch1][C][=C][Ring1][=N][N][=C][Ring2][Ring2][Ring2]
InChI: InChI=1S/C26H30F3N7O2/c1-4-18-13-30-24(31-14-18)36(15-19-5-9-22(10-6-19)38-26(27,28)29)17-25(2,3)20-7-11-21(12-8-20)37-16-23-32-34-35-33-23/h5-14,34-35H,4,15-17H2,1-3H3,(H,32,33)
SMILES: CCc1cnc(N(Cc2ccc(OC(F)(F)F)cc2)CC(C)(C)c2ccc(O)c(Cl)c2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring2][#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][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][Cl][=C][Ring1][Branch2][N][=C][Ring2][Ring1][#C]
InChI: InChI=1S/C24H25ClF3N3O2/c1-4-16-12-29-22(30-13-16)31(14-17-5-8-19(9-6-17)33-24(26,27)28)15-23(2,3)18-7-10-21(32)20(25)11-18/h5-13,32H,4,14-15H2,1-3H3
SMILES: CCc1cnc(N(Cc2ccc(OC(F)(F)F)cc2)CC(C)(C)c2ccc(OCC(=O)O)c(Cl)c2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Branch1][Branch1][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][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][C][Branch1][C][Cl][=C][Ring1][N][N][=C][Ring2][Ring2][Ring1]
InChI: InChI=1S/C26H27ClF3N3O4/c1-4-17-12-31-24(32-13-17)33(14-18-5-8-20(9-6-18)37-26(28,29)30)16-25(2,3)19-7-10-22(21(27)11-19)36-15-23(34)35/h5-13H,4,14-16H2,1-3H3,(H,34,35)
SMILES: CCc1cnc(N(Cc2ccc(OC(F)(F)F)cc2)CC(C)(C)c2ccc(OC(C)(C)C(=O)O)c(Cl)c2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Branch1][O][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][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][=C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][C][Cl][=C][Ring1][=C][N][=C][Ring2][Ring2][Branch1]
InChI: InChI=1S/C28H31ClF3N3O4/c1-6-18-14-33-25(34-15-18)35(16-19-7-10-21(11-8-19)38-28(30,31)32)17-26(2,3)20-9-12-23(22(29)13-20)39-27(4,5)24(36)37/h7-15H,6,16-17H2,1-5H3,(H,36,37)
SMILES: CCCc1cc(C(C)(C)CN(Cc2ccc(OC(F)(F)F)cc2)c2ncc(CC)cn2)ccc1O
SELFIES: [C][C][C][C][=C][C][Branch2][Ring2][=N][C][Branch1][C][C][Branch1][C][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][=C][Branch1][Ring1][C][C][C][=N][Ring1][Branch2][=C][C][=C][Ring2][Ring1][#C][O]
InChI: InChI=1S/C27H32F3N3O2/c1-5-7-21-14-22(10-13-24(21)34)26(3,4)18-33(25-31-15-19(6-2)16-32-25)17-20-8-11-23(12-9-20)35-27(28,29)30/h8-16,34H,5-7,17-18H2,1-4H3
SMILES: CCCc1cc(C(C)(C)CN(Cc2ccc(OC(F)(F)F)cc2)c2ncc(CC)cn2)ccc1OC(C)(C)C(=O)O
SELFIES: [C][C][C][C][=C][C][Branch2][Ring2][=N][C][Branch1][C][C][Branch1][C][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][=C][Branch1][Ring1][C][C][C][=N][Ring1][Branch2][=C][C][=C][Ring2][Ring1][#C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C31H38F3N3O4/c1-7-9-23-16-24(12-15-26(23)41-30(5,6)27(38)39)29(3,4)20-37(28-35-17-21(8-2)18-36-28)19-22-10-13-25(14-11-22)40-31(32,33)34/h10-18H,7-9,19-20H2,1-6H3,(H,38,39)
SMILES: CCCc1cc(C(C)(C)CN(Cc2ccc(OC(F)(F)F)cc2)c2ncc(CC)cn2)ccc1OCC(=O)O
SELFIES: [C][C][C][C][=C][C][Branch2][Ring2][=N][C][Branch1][C][C][Branch1][C][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][=C][Branch1][Ring1][C][C][C][=N][Ring1][Branch2][=C][C][=C][Ring2][Ring1][#C][O][C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C29H34F3N3O4/c1-5-7-22-14-23(10-13-25(22)38-18-26(36)37)28(3,4)19-35(27-33-15-20(6-2)16-34-27)17-21-8-11-24(12-9-21)39-29(30,31)32/h8-16H,5-7,17-19H2,1-4H3,(H,36,37)
SMILES: CCCc1cc(C(C)(C)CN(Cc2ccc(OC(F)(F)F)cc2)c2ncc(CC)cn2)ccc1OCC1=NNNN1
SELFIES: [C][C][C][C][=C][C][Branch2][Ring2][=N][C][Branch1][C][C][Branch1][C][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][=C][Branch1][Ring1][C][C][C][=N][Ring1][Branch2][=C][C][=C][Ring2][Ring1][#C][O][C][C][=N][N][N][N][Ring1][Branch1]
InChI: InChI=1S/C29H36F3N7O2/c1-5-7-22-14-23(10-13-25(22)40-18-26-35-37-38-36-26)28(3,4)19-39(27-33-15-20(6-2)16-34-27)17-21-8-11-24(12-9-21)41-29(30,31)32/h8-16,37-38H,5-7,17-19H2,1-4H3,(H,35,36)
SMILES: CCc1cnc(N(Cc2ccc(OC(F)(F)F)cc2)CC(C)c2ccc(O)cc2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring2][=Branch2][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][C][Branch1][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][=C][Ring2][Ring1][=N]
InChI: InChI=1S/C23H24F3N3O2/c1-3-17-12-27-22(28-13-17)29(14-16(2)19-6-8-20(30)9-7-19)15-18-4-10-21(11-5-18)31-23(24,25)26/h4-13,16,30H,3,14-15H2,1-2H3
SMILES: CCc1cnc(N(Cc2ccc(OC(F)(F)F)cc2)CC(C)c2ccc(OC(C)(C)C(=O)O)cc2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Branch1][Branch1][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][C][Branch1][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][N][=C][Ring2][Ring2][Ring1]
InChI: InChI=1S/C27H30F3N3O4/c1-5-19-14-31-25(32-15-19)33(17-20-6-10-23(11-7-20)37-27(28,29)30)16-18(2)21-8-12-22(13-9-21)36-26(3,4)24(34)35/h6-15,18H,5,16-17H2,1-4H3,(H,34,35)
SMILES: CCc1cnc(N(Cc2ccc(OC(F)(F)F)cc2)CC(C)c2ccc(OCC(=O)O)cc2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring2][#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][C][Branch1][C][C][C][=C][C][=C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][C][=C][Ring1][O][N][=C][Ring2][Ring1][P]
InChI: InChI=1S/C25H26F3N3O4/c1-3-18-12-29-24(30-13-18)31(15-19-4-8-22(9-5-19)35-25(26,27)28)14-17(2)20-6-10-21(11-7-20)34-16-23(32)33/h4-13,17H,3,14-16H2,1-2H3,(H,32,33)
SMILES: CCc1cnc(NCCc2ccc(OC)c(C)c2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring1][Ring1][N][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][C][=C][Ring1][=Branch2][N][=C][Ring2][Ring1][C]
InChI: InChI=1S/C16H21N3O/c1-4-13-10-18-16(19-11-13)17-8-7-14-5-6-15(20-3)12(2)9-14/h5-6,9-11H,4,7-8H2,1-3H3,(H,17,18,19)
SMILES: CCc1cnc(NCCc2ccc(OC)c(F)c2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring1][Ring1][N][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][F][=C][Ring1][=Branch2][N][=C][Ring2][Ring1][C]
InChI: InChI=1S/C15H18FN3O/c1-3-11-9-18-15(19-10-11)17-7-6-12-4-5-14(20-2)13(16)8-12/h4-5,8-10H,3,6-7H2,1-2H3,(H,17,18,19)
SMILES: CCc1cnc(NCCc2cc(C)c(OC)cc2C)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring1][Ring2][N][C][C][C][=C][C][Branch1][C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][=Branch2][C][N][=C][Ring2][Ring1][Ring1]
InChI: InChI=1S/C17H23N3O/c1-5-14-10-19-17(20-11-14)18-7-6-15-8-13(3)16(21-4)9-12(15)2/h8-11H,5-7H2,1-4H3,(H,18,19,20)
SMILES: CCc1cnc(NCCc2ccc(OC)c(C)c2C)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring1][Ring2][N][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][C][=C][Ring1][=Branch2][C][N][=C][Ring2][Ring1][Ring1]
InChI: InChI=1S/C17H23N3O/c1-5-14-10-19-17(20-11-14)18-9-8-15-6-7-16(21-4)13(3)12(15)2/h6-7,10-11H,5,8-9H2,1-4H3,(H,18,19,20)
SMILES: CCc1cnc(NCCc2ccc(OC)c(C(F)(F)F)c2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring1][#Branch2][N][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][N][N][=C][Ring2][Ring1][Branch1]
InChI: InChI=1S/C16H18F3N3O/c1-3-11-9-21-15(22-10-11)20-7-6-12-4-5-14(23-2)13(8-12)16(17,18)19/h4-5,8-10H,3,6-7H2,1-2H3,(H,20,21,22)
SMILES: CCc1cnc(NCCc2ccc(OC)c(Cl)c2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring1][Ring1][N][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][Cl][=C][Ring1][=Branch2][N][=C][Ring2][Ring1][C]
InChI: InChI=1S/C15H18ClN3O/c1-3-11-9-18-15(19-10-11)17-7-6-12-4-5-14(20-2)13(16)8-12/h4-5,8-10H,3,6-7H2,1-2H3,(H,17,18,19)
SMILES: CCc1cnc(NCCc2ccc(OC)c3ccccc23)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring1][=Branch1][N][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1][N][=C][Ring2][Ring1][Branch1]
InChI: InChI=1S/C19H21N3O/c1-3-14-12-21-19(22-13-14)20-11-10-15-8-9-18(23-2)17-7-5-4-6-16(15)17/h4-9,12-13H,3,10-11H2,1-2H3,(H,20,21,22)
SMILES: CCc1cnc(NCCc2ccc(OC)c(Br)c2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring1][Ring1][N][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][Br][=C][Ring1][=Branch2][N][=C][Ring2][Ring1][C]
InChI: InChI=1S/C15H18BrN3O/c1-3-11-9-18-15(19-10-11)17-7-6-12-4-5-14(20-2)13(16)8-12/h4-5,8-10H,3,6-7H2,1-2H3,(H,17,18,19)
SMILES: COc1ccc(CCNc2ncc(C(C)C)cn2)cc1Br
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][N][C][=N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=N][Ring1][=Branch2][C][=C][Ring2][Ring1][C][Br]
InChI: InChI=1S/C16H20BrN3O/c1-11(2)13-9-19-16(20-10-13)18-7-6-12-4-5-15(21-3)14(17)8-12/h4-5,8-11H,6-7H2,1-3H3,(H,18,19,20)
SMILES: CC(C)c1cnc(Cl)nc1
SELFIES: [C][C][Branch1][C][C][C][=C][N][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1]
InChI: InChI=1S/C7H9ClN2/c1-5(2)6-3-9-7(8)10-4-6/h3-5H,1-2H3
SMILES: CCc1cnc(NCCCc2ccc(OC)cc2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch1][P][N][C][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][N][=C][Ring2][Ring1][C]
InChI: InChI=1S/C16H21N3O/c1-3-13-11-18-16(19-12-13)17-10-4-5-14-6-8-15(20-2)9-7-14/h6-9,11-12H,3-5,10H2,1-2H3,(H,17,18,19)
SMILES: CCc1cnc(N(CCc2ccc(O)c(C)c2)Cc2ccc(OC(F)(F)F)cc2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring2][Branch2][N][Branch1][P][C][C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Ring1][Branch2][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][N][=C][Ring2][Ring1][=N]
InChI: InChI=1S/C23H24F3N3O2/c1-3-17-13-27-22(28-14-17)29(11-10-18-6-9-21(30)16(2)12-18)15-19-4-7-20(8-5-19)31-23(24,25)26/h4-9,12-14,30H,3,10-11,15H2,1-2H3
SMILES: CCc1cnc(N(CCc2ccc(O)c(C)c2)Cc2ccc(C(F)(F)F)cc2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring2][#Branch1][N][Branch1][P][C][C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Ring1][Branch2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][=C][Ring2][Ring1][N]
InChI: InChI=1S/C23H24F3N3O/c1-3-17-13-27-22(28-14-17)29(11-10-18-6-9-21(30)16(2)12-18)15-19-4-7-20(8-5-19)23(24,25)26/h4-9,12-14,30H,3,10-11,15H2,1-2H3
SMILES: CCc1ccc(CN(CCc2ccc(O)c(C)c2)c2ncc(CC)cn2)cc1
SELFIES: [C][C][C][=C][C][=C][Branch2][Ring1][P][C][N][Branch1][P][C][C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Ring1][Branch2][C][=N][C][=C][Branch1][Ring1][C][C][C][=N][Ring1][Branch2][C][=C][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C24H29N3O/c1-4-19-6-8-22(9-7-19)17-27(24-25-15-20(5-2)16-26-24)13-12-21-10-11-23(28)18(3)14-21/h6-11,14-16,28H,4-5,12-13,17H2,1-3H3
SMILES: CCc1cnc(N(CCc2ccc(O)c(F)c2)Cc2ccc(C(F)(F)F)cc2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring2][#Branch1][N][Branch1][P][C][C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][F][=C][Ring1][Branch2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][=C][Ring2][Ring1][N]
InChI: InChI=1S/C22H21F4N3O/c1-2-15-12-27-21(28-13-15)29(10-9-16-5-8-20(30)19(23)11-16)14-17-3-6-18(7-4-17)22(24,25)26/h3-8,11-13,30H,2,9-10,14H2,1H3
SMILES: CCc1cnc(N(CCc2ccc(O)c(Cl)c2)Cc2ccc(OC(F)(F)F)cc2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring2][Branch2][N][Branch1][P][C][C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][N][=C][Ring2][Ring1][=N]
InChI: InChI=1S/C22H21ClF3N3O2/c1-2-15-12-27-21(28-13-15)29(10-9-16-5-8-20(30)19(23)11-16)14-17-3-6-18(7-4-17)31-22(24,25)26/h3-8,11-13,30H,2,9-10,14H2,1H3