EdisonScientific/glyph-datasets huggingface dataset:
SMILES: Cc1cc(F)ccc1-c1nc(N(C)S(C)(=O)=O)nc2c1ccc(=O)n2C(C)C
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][=N][N][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][=N][C][=C][Ring1][N][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][Branch1][C][C][C]
InChI: InChI=1S/C19H21FN4O3S/c1-11(2)24-16(25)9-8-15-17(14-7-6-13(20)10-12(14)3)21-19(22-18(15)24)23(4)28(5,26)27/h6-11H,1-5H3
SMILES: Cc1cc(F)ccc1-c1nc(O)nc2c1ccc(=O)n2-c1c(F)cccc1F
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][C][O][=N][C][=C][Ring1][#Branch1][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F]
InChI: InChI=1S/C20H12F3N3O2/c1-10-9-11(21)5-6-12(10)17-13-7-8-16(27)26(19(13)25-20(28)24-17)18-14(22)3-2-4-15(18)23/h2-9H,1H3,(H,24,25,28)
SMILES: CSc1nc(-c2ccc(F)cc2C)c2ccc(=O)n(-c3ccccc3C)c2n1
SELFIES: [C][S][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C][=N][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C22H18FN3OS/c1-13-6-4-5-7-18(13)26-19(27)11-10-17-20(24-22(28-3)25-21(17)26)16-9-8-15(23)12-14(16)2/h4-12H,1-3H3
SMILES: CSc1nc(-c2ccc(F)cc2C)c2ccc(=O)n(-c3c(C)cccc3C)c2n1
SELFIES: [C][S][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=Branch1][C][=O][N][Branch1][=N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][C][Ring1][#C][=N][Ring2][Ring1][O]
InChI: InChI=1S/C23H20FN3OS/c1-13-6-5-7-14(2)21(13)27-19(28)11-10-18-20(25-23(29-4)26-22(18)27)17-9-8-16(24)12-15(17)3/h5-12H,1-4H3
SMILES: Cc1cc(F)ccc1-c1nc(S(C)(=O)=O)nc2c1ccc(=O)n2-c1ccccc1C
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=N][C][=C][Ring1][#Branch2][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C]
InChI: InChI=1S/C22H18FN3O3S/c1-13-6-4-5-7-18(13)26-19(27)11-10-17-20(16-9-8-15(23)12-14(16)2)24-22(25-21(17)26)30(3,28)29/h4-12H,1-3H3
SMILES: Cc1cc(F)ccc1-c1nc(S(C)(=O)=O)nc2c1ccc(=O)n2-c1c(C)cccc1C
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=N][C][=C][Ring1][#Branch2][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C]
InChI: InChI=1S/C23H20FN3O3S/c1-13-6-5-7-14(2)21(13)27-19(28)11-10-18-20(17-9-8-16(24)12-15(17)3)25-23(26-22(18)27)31(4,29)30/h5-12H,1-4H3
SMILES: Cc1cc(F)ccc1-c1nc(NCCO)nc2c1ccc(=O)n2-c1c(C)cccc1C
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][Branch1][N][C][C][O][=N][C][=C][Ring1][#Branch2][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C]
InChI: InChI=1S/C24H23FN4O2/c1-14-5-4-6-15(2)22(14)29-20(31)10-9-19-21(18-8-7-17(25)13-16(18)3)27-24(26-11-12-30)28-23(19)29/h4-10,13,30H,11-12H2,1-3H3,(H,26,27,28)
SMILES: Cc1cc(F)ccc1-c1nc(NC(CO)CO)nc2c1ccc(=O)n2-c1c(C)cccc1C
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][=Branch2][N][C][Branch1][Ring1][C][O][C][O][=N][C][=C][Ring1][N][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C]
InChI: InChI=1S/C25H25FN4O3/c1-14-5-4-6-15(2)23(14)30-21(33)10-9-20-22(19-8-7-17(26)11-16(19)3)28-25(29-24(20)30)27-18(12-31)13-32/h4-11,18,31-32H,12-13H2,1-3H3,(H,27,28,29)
SMILES: Cc1cc(F)ccc1-c1nc(NC(CO)CO)nc2c1ccc(=O)n2-c1ccccc1C
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][=Branch2][N][C][Branch1][Ring1][C][O][C][O][=N][C][=C][Ring1][N][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C]
InChI: InChI=1S/C24H23FN4O3/c1-14-5-3-4-6-20(14)29-21(32)10-9-19-22(18-8-7-16(25)11-15(18)2)27-24(28-23(19)29)26-17(12-30)13-31/h3-11,17,30-31H,12-13H2,1-2H3,(H,26,27,28)
SMILES: Cc1cc(F)ccc1-c1nc(NCCO)nc2c1ccc(=O)n2-c1ccccc1C
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][Branch1][N][C][C][O][=N][C][=C][Ring1][#Branch2][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C]
InChI: InChI=1S/C23H21FN4O2/c1-14-5-3-4-6-19(14)28-20(30)10-9-18-21(17-8-7-16(24)13-15(17)2)26-23(25-11-12-29)27-22(18)28/h3-10,13,29H,11-12H2,1-2H3,(H,25,26,27)
SMILES: CSCCCOc1nc(-c2ccc(F)cc2C)c2ccc(=O)n(-c3c(F)cccc3F)c2n1
SELFIES: [C][S][C][C][C][O][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=Branch1][C][=O][N][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][Ring1][#C][=N][Ring2][Ring1][O]
InChI: InChI=1S/C24H20F3N3O2S/c1-14-13-15(25)7-8-16(14)21-17-9-10-20(31)30(22-18(26)5-3-6-19(22)27)23(17)29-24(28-21)32-11-4-12-33-2/h3,5-10,13H,4,11-12H2,1-2H3
SMILES: Cc1cc(F)ccc1-c1nc(OCCCS(C)(=O)=O)nc2c1ccc(=O)n2-c1c(F)cccc1F
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][=N][O][C][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][=N][C][=C][Ring1][=C][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F]
InChI: InChI=1S/C24H20F3N3O4S/c1-14-13-15(25)7-8-16(14)21-17-9-10-20(31)30(22-18(26)5-3-6-19(22)27)23(17)29-24(28-21)34-11-4-12-35(2,32)33/h3,5-10,13H,4,11-12H2,1-2H3
SMILES: Cc1cc(F)ccc1-c1nc(OC(CO)CO)nc2c1ccc(=O)n2-c1c(F)cccc1F
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][=Branch2][O][C][Branch1][Ring1][C][O][C][O][=N][C][=C][Ring1][N][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F]
InChI: InChI=1S/C23H18F3N3O4/c1-12-9-13(24)5-6-15(12)20-16-7-8-19(32)29(21-17(25)3-2-4-18(21)26)22(16)28-23(27-20)33-14(10-30)11-31/h2-9,14,30-31H,10-11H2,1H3
SMILES: Cc1cc(F)ccc1-c1nc(OCCNC(=O)OC(C)(C)C)nc2c1ccc(=O)n2-c1c(F)cccc1F
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch2][Ring1][C][O][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][=N][C][=C][Ring1][P][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F]
InChI: InChI=1S/C27H25F3N4O4/c1-15-14-16(28)8-9-17(15)22-18-10-11-21(35)34(23-19(29)6-5-7-20(23)30)24(18)33-25(32-22)37-13-12-31-26(36)38-27(2,3)4/h5-11,14H,12-13H2,1-4H3,(H,31,36)
SMILES: Cc1cc(F)ccc1-c1nc(OCCN)nc2c1ccc(=O)n2-c1c(F)cccc1F
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][Branch1][O][C][C][N][=N][C][=C][Ring1][#Branch2][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F]
InChI: InChI=1S/C22H17F3N4O2/c1-12-11-13(23)5-6-14(12)19-15-7-8-18(30)29(20-16(24)3-2-4-17(20)25)21(15)28-22(27-19)31-10-9-26/h2-8,11H,9-10,26H2,1H3
SMILES: CC(=O)NCCOc1nc(-c2ccc(F)cc2C)c2ccc(=O)n(-c3c(F)cccc3F)c2n1
SELFIES: [C][C][=Branch1][C][=O][N][C][C][O][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=Branch1][C][=O][N][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][Ring1][#C][=N][Ring2][Ring1][O]
InChI: InChI=1S/C24H19F3N4O3/c1-13-12-15(25)6-7-16(13)21-17-8-9-20(33)31(22-18(26)4-3-5-19(22)27)23(17)30-24(29-21)34-11-10-28-14(2)32/h3-9,12H,10-11H2,1-2H3,(H,28,32)
SMILES: Cc1cc(F)ccc1-c1nc(OCC(CO)CO)nc2c1ccc(=O)n2-c1c(F)cccc1F
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][#Branch2][O][C][C][Branch1][Ring1][C][O][C][O][=N][C][=C][Ring1][=N][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F]
InChI: InChI=1S/C24H20F3N3O4/c1-13-9-15(25)5-6-16(13)21-17-7-8-20(33)30(22-18(26)3-2-4-19(22)27)23(17)29-24(28-21)34-12-14(10-31)11-32/h2-9,14,31-32H,10-12H2,1H3
SMILES: Cc1cc(F)ccc1-c1nc(OCCNS(C)(=O)=O)nc2c1ccc(=O)n2-c1c(F)cccc1F
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][=N][O][C][C][N][S][Branch1][C][C][=Branch1][C][=O][=O][=N][C][=C][Ring1][=C][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F]
InChI: InChI=1S/C23H19F3N4O4S/c1-13-12-14(24)6-7-15(13)20-16-8-9-19(31)30(21-17(25)4-3-5-18(21)26)22(16)29-23(28-20)34-11-10-27-35(2,32)33/h3-9,12,27H,10-11H2,1-2H3
SMILES: Cc1cc(F)ccc1-c1nc(OCCN(C)S(C)(=O)=O)nc2c1ccc(=O)n2-c1c(F)cccc1F
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][S][O][C][C][N][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][=N][C][=C][Ring1][#C][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F]
InChI: InChI=1S/C24H21F3N4O4S/c1-14-13-15(25)7-8-16(14)21-17-9-10-20(32)31(22-18(26)5-4-6-19(22)27)23(17)29-24(28-21)35-12-11-30(2)36(3,33)34/h4-10,13H,11-12H2,1-3H3
SMILES: Cc1cc(F)ccc1-c1nc(NCCO)nc2c1ccc(=O)n2-c1ccccc1F
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][Branch1][N][C][C][O][=N][C][=C][Ring1][#Branch2][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F]
InChI: InChI=1S/C22H18F2N4O2/c1-13-12-14(23)6-7-15(13)20-16-8-9-19(30)28(18-5-3-2-4-17(18)24)21(16)27-22(26-20)25-10-11-29/h2-9,12,29H,10-11H2,1H3,(H,25,26,27)
SMILES: Cc1cc(F)ccc1-c1nc(N[C@@H](C)CO)nc2c1ccc(=O)n2-c1c(F)cccc1F
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][Branch2][N][C@@H1][Branch1][C][C][C][O][=N][C][=C][Ring1][O][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F]
InChI: InChI=1S/C23H19F3N4O2/c1-12-10-14(24)6-7-15(12)20-16-8-9-19(32)30(21-17(25)4-3-5-18(21)26)22(16)29-23(28-20)27-13(2)11-31/h3-10,13,31H,11H2,1-2H3,(H,27,28,29)/t13-/m0/s1
SMILES: Cc1cc(F)ccc1-c1nc(N[C@H](C)CO)nc2c1ccc(=O)n2-c1c(F)cccc1F
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][Branch2][N][C@H1][Branch1][C][C][C][O][=N][C][=C][Ring1][O][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F]
InChI: InChI=1S/C23H19F3N4O2/c1-12-10-14(24)6-7-15(12)20-16-8-9-19(32)30(21-17(25)4-3-5-18(21)26)22(16)29-23(28-20)27-13(2)11-31/h3-10,13,31H,11H2,1-2H3,(H,27,28,29)/t13-/m1/s1
SMILES: Cc1cc(F)ccc1-c1nc(NC(C)(C)CO)nc2c1ccc(=O)n2-c1c(F)cccc1F
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][O][N][C][Branch1][C][C][Branch1][C][C][C][O][=N][C][=C][Ring1][N][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F]
InChI: InChI=1S/C24H21F3N4O2/c1-13-11-14(25)7-8-15(13)20-16-9-10-19(33)31(21-17(26)5-4-6-18(21)27)22(16)29-23(28-20)30-24(2,3)12-32/h4-11,32H,12H2,1-3H3,(H,28,29,30)
SMILES: CCNc1nc(-c2ccc(F)cc2C)c2ccc(=O)n(-c3ccccc3F)c2n1
SELFIES: [C][C][N][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Ring1][=C][=N][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C22H18F2N4O/c1-3-25-22-26-20(15-9-8-14(23)12-13(15)2)16-10-11-19(29)28(21(16)27-22)18-7-5-4-6-17(18)24/h4-12H,3H2,1-2H3,(H,25,26,27)
SMILES: Cc1cc(F)ccc1-c1nc(N[C@@H](C)CO)nc2c1ccc(=O)n2-c1ccccc1F
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][Branch2][N][C@@H1][Branch1][C][C][C][O][=N][C][=C][Ring1][O][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F]
InChI: InChI=1S/C23H20F2N4O2/c1-13-11-15(24)7-8-16(13)21-17-9-10-20(31)29(19-6-4-3-5-18(19)25)22(17)28-23(27-21)26-14(2)12-30/h3-11,14,30H,12H2,1-2H3,(H,26,27,28)/t14-/m0/s1
SMILES: Cc1cc(F)ccc1-c1nc(N[C@H](C)CO)nc2c1ccc(=O)n2-c1ccccc1F
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][Branch2][N][C@H1][Branch1][C][C][C][O][=N][C][=C][Ring1][O][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F]
InChI: InChI=1S/C23H20F2N4O2/c1-13-11-15(24)7-8-16(13)21-17-9-10-20(31)29(19-6-4-3-5-18(19)25)22(17)28-23(27-21)26-14(2)12-30/h3-11,14,30H,12H2,1-2H3,(H,26,27,28)/t14-/m1/s1
SMILES: Cc1cc(F)ccc1-c1nc(NC(C)(C)CO)nc2c1ccc(=O)n2-c1ccccc1F
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][O][N][C][Branch1][C][C][Branch1][C][C][C][O][=N][C][=C][Ring1][N][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F]
InChI: InChI=1S/C24H22F2N4O2/c1-14-12-15(25)8-9-16(14)21-17-10-11-20(32)30(19-7-5-4-6-18(19)26)22(17)28-23(27-21)29-24(2,3)13-31/h4-12,31H,13H2,1-3H3,(H,27,28,29)
SMILES: Cc1cc(F)ccc1-c1nc(O)nc2c1ccc(=O)n2-c1ccccc1F
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][C][O][=N][C][=C][Ring1][#Branch1][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F]
InChI: InChI=1S/C20H13F2N3O2/c1-11-10-12(21)6-7-13(11)18-14-8-9-17(26)25(19(14)24-20(27)23-18)16-5-3-2-4-15(16)22/h2-10H,1H3,(H,23,24,27)
SMILES: Cc1cc(F)ccc1-c1nc(NC2CCCCC2)nc2c1ccc(=O)n2-c1ccccc1F
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][=N][C][=C][Ring1][=N][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F]
InChI: InChI=1S/C26H24F2N4O/c1-16-15-17(27)11-12-19(16)24-20-13-14-23(33)32(22-10-6-5-9-21(22)28)25(20)31-26(30-24)29-18-7-3-2-4-8-18/h5-6,9-15,18H,2-4,7-8H2,1H3,(H,29,30,31)
SMILES: Cc1cc(F)ccc1-c1nc(NC2CCOCC2)nc2c1ccc(=O)n2-c1ccccc1F
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][#Branch2][N][C][C][C][O][C][C][Ring1][=Branch1][=N][C][=C][Ring1][=N][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F]
InChI: InChI=1S/C25H22F2N4O2/c1-15-14-16(26)6-7-18(15)23-19-8-9-22(32)31(21-5-3-2-4-20(21)27)24(19)30-25(29-23)28-17-10-12-33-13-11-17/h2-9,14,17H,10-13H2,1H3,(H,28,29,30)
SMILES: CCNc1nc(-c2ccc(F)cc2C)c2ccc(=O)n(-c3c(F)cccc3F)c2n1
SELFIES: [C][C][N][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=Branch1][C][=O][N][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][Ring1][#C][=N][Ring2][Ring1][O]
InChI: InChI=1S/C22H17F3N4O/c1-3-26-22-27-19(14-8-7-13(23)11-12(14)2)15-9-10-18(30)29(21(15)28-22)20-16(24)5-4-6-17(20)25/h4-11H,3H2,1-2H3,(H,26,27,28)
SMILES: Cc1cc(F)ccc1-c1nc(NC2CCCCC2)nc2c1ccc(=O)n2-c1c(F)cccc1F
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][=N][C][=C][Ring1][=N][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F]
InChI: InChI=1S/C26H23F3N4O/c1-15-14-16(27)10-11-18(15)23-19-12-13-22(34)33(24-20(28)8-5-9-21(24)29)25(19)32-26(31-23)30-17-6-3-2-4-7-17/h5,8-14,17H,2-4,6-7H2,1H3,(H,30,31,32)
SMILES: Cc1cc(F)ccc1-c1nc(NC2CCOCC2)nc2c1ccc(=O)n2-c1c(F)cccc1F
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][#Branch2][N][C][C][C][O][C][C][Ring1][=Branch1][=N][C][=C][Ring1][=N][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F]
InChI: InChI=1S/C25H21F3N4O2/c1-14-13-15(26)5-6-17(14)22-18-7-8-21(33)32(23-19(27)3-2-4-20(23)28)24(18)31-25(30-22)29-16-9-11-34-12-10-16/h2-8,13,16H,9-12H2,1H3,(H,29,30,31)
SMILES: Cc1cc(F)ccc1-c1nc(NCC(F)(F)F)nc2c1ccc(=O)n2-c1ccccc1F
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][O][N][C][C][Branch1][C][F][Branch1][C][F][F][=N][C][=C][Ring1][N][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F]
InChI: InChI=1S/C22H15F5N4O/c1-12-10-13(23)6-7-14(12)19-15-8-9-18(32)31(17-5-3-2-4-16(17)24)20(15)30-21(29-19)28-11-22(25,26)27/h2-10H,11H2,1H3,(H,28,29,30)
SMILES: Cc1cc(F)ccc1-c1nc(N[C@H]2CC[C@H](O)CC2)nc2c1ccc(=O)n2-c1ccccc1F
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][=N][N][C@H1][C][C][C@H1][Branch1][C][O][C][C][Ring1][#Branch1][=N][C][=C][Ring1][=C][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F]
InChI: InChI=1S/C26H24F2N4O2/c1-15-14-16(27)6-11-19(15)24-20-12-13-23(34)32(22-5-3-2-4-21(22)28)25(20)31-26(30-24)29-17-7-9-18(33)10-8-17/h2-6,11-14,17-18,33H,7-10H2,1H3,(H,29,30,31)/t17-,18-
SMILES: Cc1cc(F)ccc1-c1nc(NC(C)(CO)CO)nc2c1ccc(=O)n2-c1ccccc1F
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][N][N][C][Branch1][C][C][Branch1][Ring1][C][O][C][O][=N][C][=C][Ring1][=N][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F]
InChI: InChI=1S/C24H22F2N4O3/c1-14-11-15(25)7-8-16(14)21-17-9-10-20(33)30(19-6-4-3-5-18(19)26)22(17)28-23(27-21)29-24(2,12-31)13-32/h3-11,31-32H,12-13H2,1-2H3,(H,27,28,29)
SMILES: Cc1cc(F)ccc1-c1nc(NCC(F)(F)F)nc2c1ccc(=O)n2-c1c(F)cccc1F
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][O][N][C][C][Branch1][C][F][Branch1][C][F][F][=N][C][=C][Ring1][N][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F]
InChI: InChI=1S/C22H14F6N4O/c1-11-9-12(23)5-6-13(11)18-14-7-8-17(33)32(19-15(24)3-2-4-16(19)25)20(14)31-21(30-18)29-10-22(26,27)28/h2-9H,10H2,1H3,(H,29,30,31)
SMILES: Cc1cc(F)ccc1-c1nc(NC(C)(CO)CO)nc2c1ccc(=O)n2-c1c(F)cccc1F
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][N][N][C][Branch1][C][C][Branch1][Ring1][C][O][C][O][=N][C][=C][Ring1][=N][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F]
InChI: InChI=1S/C24H21F3N4O3/c1-13-10-14(25)6-7-15(13)20-16-8-9-19(34)31(21-17(26)4-3-5-18(21)27)22(16)29-23(28-20)30-24(2,11-32)12-33/h3-10,32-33H,11-12H2,1-2H3,(H,28,29,30)
SMILES: Cc1cc(F)ccc1-c1nc(N[C@H]2CC[C@H](O)CC2)nc2c1ccc(=O)n2-c1c(F)cccc1F
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][=N][N][C@H1][C][C][C@H1][Branch1][C][O][C][C][Ring1][#Branch1][=N][C][=C][Ring1][=C][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F]
InChI: InChI=1S/C26H23F3N4O2/c1-14-13-15(27)5-10-18(14)23-19-11-12-22(35)33(24-20(28)3-2-4-21(24)29)25(19)32-26(31-23)30-16-6-8-17(34)9-7-16/h2-5,10-13,16-17,34H,6-9H2,1H3,(H,30,31,32)/t16-,17-
SMILES: CCOc1nc(-c2ccc(F)cc2C)c2ccc(=O)n(-c3ccccc3F)c2n1
SELFIES: [C][C][O][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Ring1][=C][=N][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C22H17F2N3O2/c1-3-29-22-25-20(15-9-8-14(23)12-13(15)2)16-10-11-19(28)27(21(16)26-22)18-7-5-4-6-17(18)24/h4-12H,3H2,1-2H3
SMILES: Cc1cc(F)ccc1-c1nc(NCCN)nc2c1ccc(=O)n2-c1c(F)cccc1F
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][Branch1][N][C][C][N][=N][C][=C][Ring1][#Branch2][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F]
InChI: InChI=1S/C22H18F3N5O/c1-12-11-13(23)5-6-14(12)19-15-7-8-18(31)30(20-16(24)3-2-4-17(20)25)21(15)29-22(28-19)27-10-9-26/h2-8,11H,9-10,26H2,1H3,(H,27,28,29)
SMILES: CCNC(=O)NCCNc1nc(-c2ccc(F)cc2C)c2ccc(=O)n(-c3c(F)cccc3F)c2n1
SELFIES: [C][C][N][C][=Branch1][C][=O][N][C][C][N][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=Branch1][C][=O][N][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][Ring1][#C][=N][Ring2][Ring1][O]
InChI: InChI=1S/C25H23F3N6O2/c1-3-29-25(36)31-12-11-30-24-32-21(16-8-7-15(26)13-14(16)2)17-9-10-20(35)34(23(17)33-24)22-18(27)5-4-6-19(22)28/h4-10,13H,3,11-12H2,1-2H3,(H2,29,31,36)(H,30,32,33)
SMILES: Cc1cc(F)ccc1-c1nc(NCCNC(=O)Nc2cccc(F)c2)nc2c1ccc(=O)n2-c1c(F)cccc1F
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch2][Ring1][Branch1][N][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][C][=C][Ring2][Ring1][Ring2][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F]
InChI: InChI=1S/C29H22F4N6O2/c1-16-14-18(31)8-9-20(16)25-21-10-11-24(40)39(26-22(32)6-3-7-23(26)33)27(21)38-28(37-25)34-12-13-35-29(41)36-19-5-2-4-17(30)15-19/h2-11,14-15H,12-13H2,1H3,(H,34,37,38)(H2,35,36,41)
SMILES: CNC(=O)NCCNc1nc(-c2ccc(F)cc2C)c2ccc(=O)n(-c3c(F)cccc3F)c2n1
SELFIES: [C][N][C][=Branch1][C][=O][N][C][C][N][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=Branch1][C][=O][N][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][Ring1][#C][=N][Ring2][Ring1][O]
InChI: InChI=1S/C24H21F3N6O2/c1-13-12-14(25)6-7-15(13)20-16-8-9-19(34)33(21-17(26)4-3-5-18(21)27)22(16)32-23(31-20)29-10-11-30-24(35)28-2/h3-9,12H,10-11H2,1-2H3,(H2,28,30,35)(H,29,31,32)
SMILES: Cc1cc(F)ccc1-c1nc(NCCNC(=O)c2ccccc2)nc2c1ccc(=O)n2-c1c(F)cccc1F
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][P][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][Ring2][Ring1][C][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F]
InChI: InChI=1S/C29H22F3N5O2/c1-17-16-19(30)10-11-20(17)25-21-12-13-24(38)37(26-22(31)8-5-9-23(26)32)27(21)36-29(35-25)34-15-14-33-28(39)18-6-3-2-4-7-18/h2-13,16H,14-15H2,1H3,(H,33,39)(H,34,35,36)
SMILES: CCOC(=O)NCCNc1nc(-c2ccc(F)cc2C)c2ccc(=O)n(-c3c(F)cccc3F)c2n1
SELFIES: [C][C][O][C][=Branch1][C][=O][N][C][C][N][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=Branch1][C][=O][N][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][Ring1][#C][=N][Ring2][Ring1][O]
InChI: InChI=1S/C25H22F3N5O3/c1-3-36-25(35)30-12-11-29-24-31-21(16-8-7-15(26)13-14(16)2)17-9-10-20(34)33(23(17)32-24)22-18(27)5-4-6-19(22)28/h4-10,13H,3,11-12H2,1-2H3,(H,30,35)(H,29,31,32)
SMILES: CCC(=O)NCCNc1nc(-c2ccc(F)cc2C)c2ccc(=O)n(-c3c(F)cccc3F)c2n1
SELFIES: [C][C][C][=Branch1][C][=O][N][C][C][N][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=Branch1][C][=O][N][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][Ring1][#C][=N][Ring2][Ring1][O]
InChI: InChI=1S/C25H22F3N5O2/c1-3-20(34)29-11-12-30-25-31-22(16-8-7-15(26)13-14(16)2)17-9-10-21(35)33(24(17)32-25)23-18(27)5-4-6-19(23)28/h4-10,13H,3,11-12H2,1-2H3,(H,29,34)(H,30,31,32)
SMILES: Cc1cc(F)ccc1-c1nc(NCCNC(=O)C(C)(C)C)nc2c1ccc(=O)n2-c1c(F)cccc1F
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][P][N][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=N][C][=C][Ring1][S][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F]
InChI: InChI=1S/C27H26F3N5O2/c1-15-14-16(28)8-9-17(15)22-18-10-11-21(36)35(23-19(29)6-5-7-20(23)30)24(18)34-26(33-22)32-13-12-31-25(37)27(2,3)4/h5-11,14H,12-13H2,1-4H3,(H,31,37)(H,32,33,34)
SMILES: Cc1cc(F)ccc1-c1nc(NCCNC(=O)OC(C)(C)C)nc2c1ccc(=O)n2-c1c(F)cccc1F
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch2][Ring1][C][N][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][=N][C][=C][Ring1][P][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F]
InChI: InChI=1S/C27H26F3N5O3/c1-15-14-16(28)8-9-17(15)22-18-10-11-21(36)35(23-19(29)6-5-7-20(23)30)24(18)34-25(33-22)31-12-13-32-26(37)38-27(2,3)4/h5-11,14H,12-13H2,1-4H3,(H,32,37)(H,31,33,34)
SMILES: Cc1cc(F)ccc1-c1nc(Nc2c[nH]c(=O)[nH]c2=O)nc2c1ccc(=O)n2-c1c(F)cccc1F
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][=C][N][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][=N][C][=C][Ring1][#C][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F]
InChI: InChI=1S/C24H15F3N6O3/c1-11-9-12(25)5-6-13(11)19-14-7-8-18(34)33(20-15(26)3-2-4-16(20)27)21(14)31-23(30-19)29-17-10-28-24(36)32-22(17)35/h2-10H,1H3,(H,29,30,31)(H2,28,32,35,36)