EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCc1cnc(N(CCc2ccc(O)c(Cl)c2)Cc2cccc(OC(F)(F)F)c2)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][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][N][=C][Ring2][Ring1][=N]
InChI: InChI=1S/C22H21ClF3N3O2/c1-2-15-12-27-21(28-13-15)29(9-8-16-6-7-20(30)19(23)11-16)14-17-4-3-5-18(10-17)31-22(24,25)26/h3-7,10-13,30H,2,8-9,14H2,1H3
SMILES: CCc1cnc(N(CCc2ccc(O)c(Br)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][Br][=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/C22H21BrF3N3O2/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
SMILES: CCc1cnc(N(CCc2ccc(O)c(Br)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][Br][=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/C22H21BrF3N3O/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: CCc1ccc(CN(CCc2ccc(O)c(Br)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][Br][=C][Ring1][Branch2][C][=N][C][=C][Branch1][Ring1][C][C][C][=N][Ring1][Branch2][C][=C][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C23H26BrN3O/c1-3-17-5-7-20(8-6-17)16-27(23-25-14-18(4-2)15-26-23)12-11-19-9-10-22(28)21(24)13-19/h5-10,13-15,28H,3-4,11-12,16H2,1-2H3
SMILES: CCc1cnc(N(CCc2ccc(O)c(C(F)(F)F)c2)Cc2ccc(OC(F)(F)F)cc2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring2][S][N][Branch2][Ring1][Branch2][C][C][C][=C][C][=C][Branch1][C][O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=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/C23H21F6N3O2/c1-2-15-12-30-21(31-13-15)32(14-17-3-6-18(7-4-17)34-23(27,28)29)10-9-16-5-8-20(33)19(11-16)22(24,25)26/h3-8,11-13,33H,2,9-10,14H2,1H3
SMILES: CCc1cnc(N(CCc2ccc(O)c(C(F)(F)F)c2)Cc2cccc(OC(F)(F)F)c2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring2][S][N][Branch2][Ring1][Branch2][C][C][C][=C][C][=C][Branch1][C][O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][C][C][=C][C][=C][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][N][=C][Ring2][Ring1][S]
InChI: InChI=1S/C23H21F6N3O2/c1-2-15-12-30-21(31-13-15)32(14-17-4-3-5-18(10-17)34-23(27,28)29)9-8-16-6-7-20(33)19(11-16)22(24,25)26/h3-7,10-13,33H,2,8-9,14H2,1H3
SMILES: CCc1cnc(N(CCc2cc(C)c(O)cc2C)Cc2cccc(OC(F)(F)F)c2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring2][#Branch2][N][Branch2][Ring1][C][C][C][C][=C][C][Branch1][C][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][C][C][C][=C][C][=C][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][N][=C][Ring2][Ring1][=C]
InChI: InChI=1S/C24H26F3N3O2/c1-4-18-13-28-23(29-14-18)30(9-8-20-10-17(3)22(31)11-16(20)2)15-19-6-5-7-21(12-19)32-24(25,26)27/h5-7,10-14,31H,4,8-9,15H2,1-3H3
SMILES: CCc1cnc(N(CCc2cc(C)c(O)cc2C)Cc2ccc(OC(F)(F)F)cc2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring2][#Branch2][N][Branch2][Ring1][C][C][C][C][=C][C][Branch1][C][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][C][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][N][=C][Ring2][Ring1][=C]
InChI: InChI=1S/C24H26F3N3O2/c1-4-18-13-28-23(29-14-18)30(10-9-20-11-17(3)22(31)12-16(20)2)15-19-5-7-21(8-6-19)32-24(25,26)27/h5-8,11-14,31H,4,9-10,15H2,1-3H3
SMILES: CCc1cnc(N(CCc2ccc(O)c(C)c2C)Cc2ccc(OC(F)(F)F)cc2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring2][#Branch2][N][Branch2][Ring1][C][C][C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Ring1][Branch2][C][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][N][=C][Ring2][Ring1][=C]
InChI: InChI=1S/C24H26F3N3O2/c1-4-18-13-28-23(29-14-18)30(12-11-20-7-10-22(31)17(3)16(20)2)15-19-5-8-21(9-6-19)32-24(25,26)27/h5-10,13-14,31H,4,11-12,15H2,1-3H3
SMILES: CCc1cnc(N(CCc2ccc(O)c(C)c2C)Cc2cccc(OC(F)(F)F)c2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring2][#Branch2][N][Branch2][Ring1][C][C][C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Ring1][Branch2][C][C][C][=C][C][=C][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][N][=C][Ring2][Ring1][=C]
InChI: InChI=1S/C24H26F3N3O2/c1-4-18-13-28-23(29-14-18)30(11-10-20-8-9-22(31)17(3)16(20)2)15-19-6-5-7-21(12-19)32-24(25,26)27/h5-9,12-14,31H,4,10-11,15H2,1-3H3
SMILES: CCc1cnc(N(CCc2ccc(O)c3ccccc23)Cc2cccc(OC(F)(F)F)c2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring2][N][N][Branch2][Ring1][Ring2][C][C][C][=C][C][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][C][C][=C][C][=C][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][N][=C][Ring2][Ring1][S]
InChI: InChI=1S/C26H24F3N3O2/c1-2-18-15-30-25(31-16-18)32(17-19-6-5-7-21(14-19)34-26(27,28)29)13-12-20-10-11-24(33)23-9-4-3-8-22(20)23/h3-11,14-16,33H,2,12-13,17H2,1H3
SMILES: CCc1cnc(N(CCCc2ccc(O)cc2)Cc2cccc(OC(F)(F)F)c2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring2][=Branch1][N][Branch1][#C][C][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][=C][C][=C][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][N][=C][Ring2][Ring1][=N]
InChI: InChI=1S/C23H24F3N3O2/c1-2-17-14-27-22(28-15-17)29(12-4-6-18-8-10-20(30)11-9-18)16-19-5-3-7-21(13-19)31-23(24,25)26/h3,5,7-11,13-15,30H,2,4,6,12,16H2,1H3
SMILES: CCc1cnc(N(CCc2ccc(OC(C)(C)C(=O)O)c(C)c2)Cc2ccc(OC(F)(F)F)cc2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Branch1][Branch1][N][Branch2][Ring1][=N][C][C][C][=C][C][=C][Branch1][=C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][=C][Ring1][=C][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][N][=C][Ring2][Ring2][Ring1]
InChI: InChI=1S/C27H30F3N3O4/c1-5-19-15-31-25(32-16-19)33(17-21-6-9-22(10-7-21)36-27(28,29)30)13-12-20-8-11-23(18(2)14-20)37-26(3,4)24(34)35/h6-11,14-16H,5,12-13,17H2,1-4H3,(H,34,35)
SMILES: CCc1cnc(N(CCc2ccc(OC(C)(C)C(=O)O)c(C)c2)Cc2ccc(C(F)(F)F)cc2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Branch1][Ring2][N][Branch2][Ring1][=N][C][C][C][=C][C][=C][Branch1][=C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][=C][Ring1][=C][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][=C][Ring2][Ring2][C]
InChI: InChI=1S/C27H30F3N3O3/c1-5-19-15-31-25(32-16-19)33(17-21-6-9-22(10-7-21)27(28,29)30)13-12-20-8-11-23(18(2)14-20)36-26(3,4)24(34)35/h6-11,14-16H,5,12-13,17H2,1-4H3,(H,34,35)
SMILES: CCc1ccc(CN(CCc2ccc(OC(C)(C)C(=O)O)c(C)c2)c2ncc(CC)cn2)cc1
SELFIES: [C][C][C][=C][C][=C][Branch2][Ring2][=C][C][N][Branch2][Ring1][=N][C][C][C][=C][C][=C][Branch1][=C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][=C][Ring1][=C][C][=N][C][=C][Branch1][Ring1][C][C][C][=N][Ring1][Branch2][C][=C][Ring2][Ring1][S]
InChI: InChI=1S/C28H35N3O3/c1-6-21-8-10-24(11-9-21)19-31(27-29-17-22(7-2)18-30-27)15-14-23-12-13-25(20(3)16-23)34-28(4,5)26(32)33/h8-13,16-18H,6-7,14-15,19H2,1-5H3,(H,32,33)
SMILES: CCc1cnc(N(CCc2ccc(OC(C)(C)C(=O)O)c(F)c2)Cc2ccc(C(F)(F)F)cc2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Branch1][Ring2][N][Branch2][Ring1][=N][C][C][C][=C][C][=C][Branch1][=C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][C][F][=C][Ring1][=C][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][=C][Ring2][Ring2][C]
InChI: InChI=1S/C26H27F4N3O3/c1-4-17-14-31-24(32-15-17)33(16-19-5-8-20(9-6-19)26(28,29)30)12-11-18-7-10-22(21(27)13-18)36-25(2,3)23(34)35/h5-10,13-15H,4,11-12,16H2,1-3H3,(H,34,35)
SMILES: CCc1cnc(N(CCc2ccc(OC(C)(C)C(=O)O)c(Cl)c2)Cc2ccc(OC(F)(F)F)cc2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Branch1][Branch1][N][Branch2][Ring1][=N][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][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][N][=C][Ring2][Ring2][Ring1]
InChI: InChI=1S/C26H27ClF3N3O4/c1-4-17-14-31-24(32-15-17)33(16-19-5-8-20(9-6-19)36-26(28,29)30)12-11-18-7-10-22(21(27)13-18)37-25(2,3)23(34)35/h5-10,13-15H,4,11-12,16H2,1-3H3,(H,34,35)
SMILES: CCc1cnc(N(CCc2ccc(OC(C)(C)C(=O)O)c(Cl)c2)Cc2cccc(OC(F)(F)F)c2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Branch1][Branch1][N][Branch2][Ring1][=N][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][C][C][=C][C][=C][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][N][=C][Ring2][Ring2][Ring1]
InChI: InChI=1S/C26H27ClF3N3O4/c1-4-17-14-31-24(32-15-17)33(16-19-6-5-7-20(12-19)36-26(28,29)30)11-10-18-8-9-22(21(27)13-18)37-25(2,3)23(34)35/h5-9,12-15H,4,10-11,16H2,1-3H3,(H,34,35)
SMILES: CCc1ccc(CN(CCc2ccc(OC(C)(C)C(=O)O)c(Br)c2)c2ncc(CC)cn2)cc1
SELFIES: [C][C][C][=C][C][=C][Branch2][Ring2][=C][C][N][Branch2][Ring1][=N][C][C][C][=C][C][=C][Branch1][=C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][C][Br][=C][Ring1][=C][C][=N][C][=C][Branch1][Ring1][C][C][C][=N][Ring1][Branch2][C][=C][Ring2][Ring1][S]
InChI: InChI=1S/C27H32BrN3O3/c1-5-19-7-9-22(10-8-19)18-31(26-29-16-20(6-2)17-30-26)14-13-21-11-12-24(23(28)15-21)34-27(3,4)25(32)33/h7-12,15-17H,5-6,13-14,18H2,1-4H3,(H,32,33)
SMILES: CCc1cnc(N(CCc2ccc(OC(C)(C)C(=O)O)c(C(F)(F)F)c2)Cc2ccc(OC(F)(F)F)cc2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Branch1][N][N][Branch2][Ring2][Ring2][C][C][C][=C][C][=C][Branch1][=C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][P][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][N][=C][Ring2][Ring2][=Branch1]
InChI: InChI=1S/C27H27F6N3O4/c1-4-17-14-34-24(35-15-17)36(16-19-5-8-20(9-6-19)39-27(31,32)33)12-11-18-7-10-22(21(13-18)26(28,29)30)40-25(2,3)23(37)38/h5-10,13-15H,4,11-12,16H2,1-3H3,(H,37,38)
SMILES: CCc1cnc(N(CCc2ccc(OC(C)(C)C(=O)O)c(C(F)(F)F)c2)Cc2cccc(OC(F)(F)F)c2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Branch1][N][N][Branch2][Ring2][Ring2][C][C][C][=C][C][=C][Branch1][=C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][P][C][C][=C][C][=C][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][N][=C][Ring2][Ring2][=Branch1]
InChI: InChI=1S/C27H27F6N3O4/c1-4-17-14-34-24(35-15-17)36(16-19-6-5-7-20(12-19)39-27(31,32)33)11-10-18-8-9-22(21(13-18)26(28,29)30)40-25(2,3)23(37)38/h5-9,12-15H,4,10-11,16H2,1-3H3,(H,37,38)
SMILES: CCc1cnc(N(CCc2cc(C)c(OC(C)(C)C(=O)O)cc2C)Cc2cccc(OC(F)(F)F)c2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Branch1][=Branch1][N][Branch2][Ring1][=C][C][C][C][=C][C][Branch1][C][C][=C][Branch1][=C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][=C][C][C][C][=C][C][=C][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][N][=C][Ring2][Ring2][Ring2]
InChI: InChI=1S/C28H32F3N3O4/c1-6-20-15-32-26(33-16-20)34(17-21-8-7-9-23(14-21)37-28(29,30)31)11-10-22-12-19(3)24(13-18(22)2)38-27(4,5)25(35)36/h7-9,12-16H,6,10-11,17H2,1-5H3,(H,35,36)
SMILES: CCc1cnc(N(CCc2cc(C)c(OC(C)(C)C(=O)O)cc2C)Cc2ccc(OC(F)(F)F)cc2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Branch1][=Branch1][N][Branch2][Ring1][=C][C][C][C][=C][C][Branch1][C][C][=C][Branch1][=C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][=C][C][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][N][=C][Ring2][Ring2][Ring2]
InChI: InChI=1S/C28H32F3N3O4/c1-6-20-15-32-26(33-16-20)34(17-21-7-9-23(10-8-21)37-28(29,30)31)12-11-22-13-19(3)24(14-18(22)2)38-27(4,5)25(35)36/h7-10,13-16H,6,11-12,17H2,1-5H3,(H,35,36)
SMILES: CCc1cnc(N(CCc2ccc(OC(C)(C)C(=O)O)c(C)c2C)Cc2ccc(OC(F)(F)F)cc2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Branch1][=Branch1][N][Branch2][Ring1][=C][C][C][C][=C][C][=C][Branch1][=C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][=C][Ring1][=C][C][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][N][=C][Ring2][Ring2][Ring2]
InChI: InChI=1S/C28H32F3N3O4/c1-6-20-15-32-26(33-16-20)34(17-21-7-10-23(11-8-21)37-28(29,30)31)14-13-22-9-12-24(19(3)18(22)2)38-27(4,5)25(35)36/h7-12,15-16H,6,13-14,17H2,1-5H3,(H,35,36)
SMILES: CCc1cnc(N(CCc2ccc(OC(C)(C)C(=O)O)c(C)c2C)Cc2cccc(OC(F)(F)F)c2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Branch1][=Branch1][N][Branch2][Ring1][=C][C][C][C][=C][C][=C][Branch1][=C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][=C][Ring1][=C][C][C][C][=C][C][=C][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][N][=C][Ring2][Ring2][Ring2]
InChI: InChI=1S/C28H32F3N3O4/c1-6-20-15-32-26(33-16-20)34(17-21-8-7-9-23(14-21)37-28(29,30)31)13-12-22-10-11-24(19(3)18(22)2)38-27(4,5)25(35)36/h7-11,14-16H,6,12-13,17H2,1-5H3,(H,35,36)
SMILES: CCc1cnc(N(CCc2ccc(OC(C)(C)C(=O)O)c(Br)c2)Cc2ccc(OC(F)(F)F)cc2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Branch1][Branch1][N][Branch2][Ring1][=N][C][C][C][=C][C][=C][Branch1][=C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][C][Br][=C][Ring1][=C][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][N][=C][Ring2][Ring2][Ring1]
InChI: InChI=1S/C26H27BrF3N3O4/c1-4-17-14-31-24(32-15-17)33(16-19-5-8-20(9-6-19)36-26(28,29)30)12-11-18-7-10-22(21(27)13-18)37-25(2,3)23(34)35/h5-10,13-15H,4,11-12,16H2,1-3H3,(H,34,35)
SMILES: CCc1cnc(N(CCc2ccc(OC(C)C(=O)O)c(C)c2)Cc2ccc(OC(F)(F)F)cc2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Branch1][C][N][Branch2][Ring1][#Branch2][C][C][C][=C][C][=C][Branch1][O][O][C][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][C][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][Ring2][C]
InChI: InChI=1S/C26H28F3N3O4/c1-4-19-14-30-25(31-15-19)32(16-21-5-8-22(9-6-21)36-26(27,28)29)12-11-20-7-10-23(17(2)13-20)35-18(3)24(33)34/h5-10,13-15,18H,4,11-12,16H2,1-3H3,(H,33,34)
SMILES: CCc1cnc(N(CCc2ccc(OC(C)C(=O)O)c(C)c2)Cc2ccc(C(F)(F)F)cc2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring2][P][N][Branch2][Ring1][#Branch2][C][C][C][=C][C][=C][Branch1][O][O][C][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][C][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/c1-4-19-14-30-25(31-15-19)32(16-21-5-8-22(9-6-21)26(27,28)29)12-11-20-7-10-23(17(2)13-20)35-18(3)24(33)34/h5-10,13-15,18H,4,11-12,16H2,1-3H3,(H,33,34)
SMILES: CCc1ccc(CN(CCc2ccc(OC(C)C(=O)O)c(C)c2)c2ncc(CC)cn2)cc1
SELFIES: [C][C][C][=C][C][=C][Branch2][Ring2][O][C][N][Branch2][Ring1][#Branch2][C][C][C][=C][C][=C][Branch1][O][O][C][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][=C][Ring1][=N][C][=N][C][=C][Branch1][Ring1][C][C][C][=N][Ring1][Branch2][C][=C][Ring2][Ring1][#C]
InChI: InChI=1S/C27H33N3O3/c1-5-21-7-9-24(10-8-21)18-30(27-28-16-22(6-2)17-29-27)14-13-23-11-12-25(19(3)15-23)33-20(4)26(31)32/h7-12,15-17,20H,5-6,13-14,18H2,1-4H3,(H,31,32)
SMILES: CCc1cnc(N(CCc2ccc(OC(C)C(=O)O)c(F)c2)Cc2ccc(C(F)(F)F)cc2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring2][P][N][Branch2][Ring1][#Branch2][C][C][C][=C][C][=C][Branch1][O][O][C][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][C][F][=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/C25H25F4N3O3/c1-3-17-13-30-24(31-14-17)32(15-19-4-7-20(8-5-19)25(27,28)29)11-10-18-6-9-22(21(26)12-18)35-16(2)23(33)34/h4-9,12-14,16H,3,10-11,15H2,1-2H3,(H,33,34)
SMILES: CCc1cnc(N(CCc2ccc(OC(C)C(=O)O)c(Cl)c2)Cc2ccc(OC(F)(F)F)cc2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Branch1][C][N][Branch2][Ring1][#Branch2][C][C][C][=C][C][=C][Branch1][O][O][C][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][C][Cl][=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][Ring2][C]
InChI: InChI=1S/C25H25ClF3N3O4/c1-3-17-13-30-24(31-14-17)32(15-19-4-7-20(8-5-19)36-25(27,28)29)11-10-18-6-9-22(21(26)12-18)35-16(2)23(33)34/h4-9,12-14,16H,3,10-11,15H2,1-2H3,(H,33,34)
SMILES: CCc1cnc(N(CCc2ccc(OC(C)C(=O)O)c(Br)c2)Cc2ccc(OC(F)(F)F)cc2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Branch1][C][N][Branch2][Ring1][#Branch2][C][C][C][=C][C][=C][Branch1][O][O][C][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][C][Br][=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][Ring2][C]
InChI: InChI=1S/C25H25BrF3N3O4/c1-3-17-13-30-24(31-14-17)32(15-19-4-7-20(8-5-19)36-25(27,28)29)11-10-18-6-9-22(21(26)12-18)35-16(2)23(33)34/h4-9,12-14,16H,3,10-11,15H2,1-2H3,(H,33,34)
SMILES: CCc1ccc(CN(CCc2ccc(OC(C)C(=O)O)c(Br)c2)c2ncc(CC)cn2)cc1
SELFIES: [C][C][C][=C][C][=C][Branch2][Ring2][O][C][N][Branch2][Ring1][#Branch2][C][C][C][=C][C][=C][Branch1][O][O][C][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][C][Br][=C][Ring1][=N][C][=N][C][=C][Branch1][Ring1][C][C][C][=N][Ring1][Branch2][C][=C][Ring2][Ring1][#C]
InChI: InChI=1S/C26H30BrN3O3/c1-4-19-6-8-22(9-7-19)17-30(26-28-15-20(5-2)16-29-26)13-12-21-10-11-24(23(27)14-21)33-18(3)25(31)32/h6-11,14-16,18H,4-5,12-13,17H2,1-3H3,(H,31,32)
SMILES: CCc1cnc(N(CCc2ccc(OC(C)C(=O)O)c(Br)c2)Cc2ccc(C(F)(F)F)cc2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring2][P][N][Branch2][Ring1][#Branch2][C][C][C][=C][C][=C][Branch1][O][O][C][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][C][Br][=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/C25H25BrF3N3O3/c1-3-17-13-30-24(31-14-17)32(15-19-4-7-20(8-5-19)25(27,28)29)11-10-18-6-9-22(21(26)12-18)35-16(2)23(33)34/h4-9,12-14,16H,3,10-11,15H2,1-2H3,(H,33,34)
SMILES: CCc1cnc(N(CCc2ccc(OCC(=O)O)c(C)c2)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][Branch2][O][C][C][=Branch1][C][=O][O][C][Branch1][C][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/c1-3-18-13-29-24(30-14-18)31(15-20-4-7-21(8-5-20)35-25(26,27)28)11-10-19-6-9-22(17(2)12-19)34-16-23(32)33/h4-9,12-14H,3,10-11,15-16H2,1-2H3,(H,32,33)
SMILES: CCc1cnc(N(CCc2ccc(OCC(=O)O)c(F)c2)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][Branch2][O][C][C][=Branch1][C][=O][O][C][Branch1][C][F][=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/C24H23F4N3O3/c1-2-16-12-29-23(30-13-16)31(14-18-3-6-19(7-4-18)24(26,27)28)10-9-17-5-8-21(20(25)11-17)34-15-22(32)33/h3-8,11-13H,2,9-10,14-15H2,1H3,(H,32,33)
SMILES: CCc1cnc(N(CCc2ccc(OCC(=O)O)c(Cl)c2)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][Branch2][O][C][C][=Branch1][C][=O][O][C][Branch1][C][Cl][=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/C24H23ClF3N3O4/c1-2-16-12-29-23(30-13-16)31(14-18-3-6-19(7-4-18)35-24(26,27)28)10-9-17-5-8-21(20(25)11-17)34-15-22(32)33/h3-8,11-13H,2,9-10,14-15H2,1H3,(H,32,33)
SMILES: CCc1ccc(CN(CCc2ccc(OCC(=O)O)c(C)c2)c2ncc(CC)cn2)cc1
SELFIES: [C][C][C][=C][C][=C][Branch2][Ring2][Branch2][C][N][Branch2][Ring1][#Branch1][C][C][C][=C][C][=C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][C][Branch1][C][C][=C][Ring1][N][C][=N][C][=C][Branch1][Ring1][C][C][C][=N][Ring1][Branch2][C][=C][Ring2][Ring1][=C]
InChI: InChI=1S/C26H31N3O3/c1-4-20-6-8-23(9-7-20)17-29(26-27-15-21(5-2)16-28-26)13-12-22-10-11-24(19(3)14-22)32-18-25(30)31/h6-11,14-16H,4-5,12-13,17-18H2,1-3H3,(H,30,31)
SMILES: CCc1cnc(N(CCc2ccc(OCC(=O)O)c(C)c2)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][Branch2][O][C][C][=Branch1][C][=O][O][C][Branch1][C][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/c1-3-18-13-29-24(30-14-18)31(15-20-4-7-21(8-5-20)25(26,27)28)11-10-19-6-9-22(17(2)12-19)34-16-23(32)33/h4-9,12-14H,3,10-11,15-16H2,1-2H3,(H,32,33)
SMILES: CCc1cnc(N(CCc2ccc(OCC(=O)O)c(Br)c2)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][Branch2][O][C][C][=Branch1][C][=O][O][C][Branch1][C][Br][=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/C24H23BrF3N3O3/c1-2-16-12-29-23(30-13-16)31(14-18-3-6-19(7-4-18)24(26,27)28)10-9-17-5-8-21(20(25)11-17)34-15-22(32)33/h3-8,11-13H,2,9-10,14-15H2,1H3,(H,32,33)
SMILES: CCc1cnc(N(CCc2ccc(OCC(=O)O)c(Br)c2)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][Branch2][O][C][C][=Branch1][C][=O][O][C][Branch1][C][Br][=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/C24H23BrF3N3O4/c1-2-16-12-29-23(30-13-16)31(14-18-3-6-19(7-4-18)35-24(26,27)28)10-9-17-5-8-21(20(25)11-17)34-15-22(32)33/h3-8,11-13H,2,9-10,14-15H2,1H3,(H,32,33)
SMILES: CCc1ccc(CN(CCc2ccc(OCC(=O)O)c(Br)c2)c2ncc(CC)cn2)cc1
SELFIES: [C][C][C][=C][C][=C][Branch2][Ring2][Branch2][C][N][Branch2][Ring1][#Branch1][C][C][C][=C][C][=C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][C][Branch1][C][Br][=C][Ring1][N][C][=N][C][=C][Branch1][Ring1][C][C][C][=N][Ring1][Branch2][C][=C][Ring2][Ring1][=C]
InChI: InChI=1S/C25H28BrN3O3/c1-3-18-5-7-21(8-6-18)16-29(25-27-14-19(4-2)15-28-25)12-11-20-9-10-23(22(26)13-20)32-17-24(30)31/h5-10,13-15H,3-4,11-12,16-17H2,1-2H3,(H,30,31)
SMILES: CCc1cnc(N(CCCc2ccc(OCC(=O)O)cc2)Cc2cccc(OC(C)(F)F)c2)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Ring2][=N][N][Branch2][Ring1][Branch1][C][C][C][C][=C][C][=C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][C][=C][Ring1][O][C][C][=C][C][=C][C][Branch1][#Branch2][O][C][Branch1][C][C][Branch1][C][F][F][=C][Ring1][O][N][=C][Ring2][Ring1][P]
InChI: InChI=1S/C26H29F2N3O4/c1-3-19-15-29-25(30-16-19)31(17-21-6-4-8-23(14-21)35-26(2,27)28)13-5-7-20-9-11-22(12-10-20)34-18-24(32)33/h4,6,8-12,14-16H,3,5,7,13,17-18H2,1-2H3,(H,32,33)
SMILES: CC(C)c1cnc(N(CCc2ccc(OC(C)(C)C(=O)O)c(Br)c2)Cc2ccc(OC(F)(F)F)cc2)nc1
SELFIES: [C][C][Branch1][C][C][C][=C][N][=C][Branch2][Branch1][Branch1][N][Branch2][Ring1][=N][C][C][C][=C][C][=C][Branch1][=C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][C][Br][=C][Ring1][=C][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][N][=C][Ring2][Ring2][Ring1]
InChI: InChI=1S/C27H29BrF3N3O4/c1-17(2)20-14-32-25(33-15-20)34(16-19-5-8-21(9-6-19)37-27(29,30)31)12-11-18-7-10-23(22(28)13-18)38-26(3,4)24(35)36/h5-10,13-15,17H,11-12,16H2,1-4H3,(H,35,36)
SMILES: CC(C)c1cnc(N(CCc2ccc(OC(C)(C)C(=O)O)c(Br)c2)Cc2cccc(OC(F)(F)F)c2)nc1
SELFIES: [C][C][Branch1][C][C][C][=C][N][=C][Branch2][Branch1][Branch1][N][Branch2][Ring1][=N][C][C][C][=C][C][=C][Branch1][=C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][C][Br][=C][Ring1][=C][C][C][=C][C][=C][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][N][=C][Ring2][Ring2][Ring1]
InChI: InChI=1S/C27H29BrF3N3O4/c1-17(2)20-14-32-25(33-15-20)34(16-19-6-5-7-21(12-19)37-27(29,30)31)11-10-18-8-9-23(22(28)13-18)38-26(3,4)24(35)36/h5-9,12-15,17H,10-11,16H2,1-4H3,(H,35,36)