EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2ccc(Cl)nn2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][C][O][C][=C][C][=C][Branch2][Ring2][Branch1][C][C][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][C][=C][Branch1][C][Cl][N][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][O][C][=Branch1][C][=O][O]
InChI: InChI=1S/C24H23ClF3N3O3/c1-23(2,22(32)33)34-19-9-5-16(6-10-19)13-14-31(21-12-11-20(25)29-30-21)15-17-3-7-18(8-4-17)24(26,27)28/h3-12H,13-15H2,1-2H3,(H,32,33)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)c2ccc(Cl)nn2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][#Branch2][O][C][=C][C][=C][Branch2][Ring2][=N][C][C][N][Branch2][Ring1][N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][Branch1][C][Cl][N][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][#C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C25H22ClF6N3O3/c1-23(2,22(36)37)38-18-7-3-15(4-8-18)11-12-35(21-10-9-20(26)33-34-21)14-16-5-6-17(24(27,28)29)13-19(16)25(30,31)32/h3-10,13H,11-12,14H2,1-2H3,(H,36,37)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2cnccn2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Ring2][#C][O][C][=C][C][=C][Branch2][Ring2][C][C][C][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][N][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2][C][=Branch1][C][=O][O]
InChI: InChI=1S/C24H24F3N3O3/c1-23(2,22(31)32)33-20-9-5-17(6-10-20)11-14-30(21-15-28-12-13-29-21)16-18-3-7-19(8-4-18)24(25,26)27/h3-10,12-13,15H,11,14,16H2,1-2H3,(H,31,32)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2nc3ccccc3o2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][Ring2][O][C][=C][C][=C][Branch2][Ring2][#Branch1][C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=C][Ring2][Ring1][=N][C][=Branch1][C][=O][O]
InChI: InChI=1S/C27H25F3N2O4/c1-26(2,24(33)34)36-21-13-9-18(10-14-21)15-16-32(25-31-22-5-3-4-6-23(22)35-25)17-19-7-11-20(12-8-19)27(28,29)30/h3-14H,15-17H2,1-2H3,(H,33,34)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)c2nc3ccccc3o2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][N][O][C][=C][C][=C][Branch2][Ring2][#C][C][C][N][Branch2][Ring1][N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=C][Ring2][Ring1][P][C][=Branch1][C][=O][O]
InChI: InChI=1S/C28H24F6N2O4/c1-26(2,24(37)38)40-20-11-7-17(8-12-20)13-14-36(25-35-22-5-3-4-6-23(22)39-25)16-18-9-10-19(27(29,30)31)15-21(18)28(32,33)34/h3-12,15H,13-14,16H2,1-2H3,(H,37,38)
SMILES: CC(C)(Oc1cccc(CCCN(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)c2nc3ccccc3o2)c1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][=N][O][C][=C][C][=C][C][Branch2][Ring2][S][C][C][C][N][Branch2][Ring1][N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=C][Ring2][Ring2][C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C29H26F6N2O4/c1-27(2,25(38)39)41-21-9-5-7-18(15-21)8-6-14-37(26-36-23-10-3-4-11-24(23)40-26)17-19-12-13-20(28(30,31)32)16-22(19)29(33,34)35/h3-5,7,9-13,15-16H,6,8,14,17H2,1-2H3,(H,38,39)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C#N)cc2)c2nc3ccccc3o2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Ring2][=N][O][C][=C][C][=C][Branch2][Ring1][S][C][C][N][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=C][Ring2][Ring1][O][C][=Branch1][C][=O][O]
InChI: InChI=1S/C27H25N3O4/c1-27(2,25(31)32)34-22-13-11-19(12-14-22)15-16-30(18-21-9-7-20(17-28)8-10-21)26-29-23-5-3-4-6-24(23)33-26/h3-14H,15-16,18H2,1-2H3,(H,31,32)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(-c3ncon3)cc2)c2nc3ccccc3o2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][Ring1][O][C][=C][C][=C][Branch2][Ring2][=Branch1][C][C][N][Branch2][Ring1][Ring1][C][C][=C][C][=C][Branch1][Branch2][C][N][=C][O][N][=Ring1][Branch1][C][=C][Ring1][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=C][Ring2][Ring1][=C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C28H26N4O5/c1-28(2,26(33)34)37-22-13-9-19(10-14-22)15-16-32(27-30-23-5-3-4-6-24(23)36-27)17-20-7-11-21(12-8-20)25-29-18-35-31-25/h3-14,18H,15-17H2,1-2H3,(H,33,34)
SMILES: Cc1nc(-c2ccc(CN(CCc3ccc(OC(C)(C)C(=O)O)cc3)c3nc4ccccc4o3)cc2)no1
SELFIES: [C][C][=N][C][Branch2][Branch1][Branch2][C][=C][C][=C][Branch2][Ring2][N][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][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=C][Ring2][Ring1][S][=N][O][Ring2][Ring2][Branch1]
InChI: InChI=1S/C29H28N4O5/c1-19-30-26(32-38-19)22-12-8-21(9-13-22)18-33(28-31-24-6-4-5-7-25(24)36-28)17-16-20-10-14-23(15-11-20)37-29(2,3)27(34)35/h4-15H,16-18H2,1-3H3,(H,34,35)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(-c3noc(C(F)(F)F)n3)cc2)c2nc3ccccc3o2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][=C][O][C][=C][C][=C][Branch2][Ring2][P][C][C][N][Branch2][Ring1][=C][C][C][=C][C][=C][Branch2][Ring1][C][C][=N][O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2][C][=C][Ring1][#C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=C][Ring2][Ring2][C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C29H25F3N4O5/c1-28(2,26(37)38)40-21-13-9-18(10-14-21)15-16-36(27-33-22-5-3-4-6-23(22)39-27)17-19-7-11-20(12-8-19)24-34-25(41-35-24)29(30,31)32/h3-14H,15-17H2,1-2H3,(H,37,38)
SMILES: CNc1nc(-c2ccc(CN(CCc3ccc(OC(C)(C)C(=O)O)cc3)c3nc4ccccc4o3)cc2)no1
SELFIES: [C][N][C][=N][C][Branch2][Branch1][Branch2][C][=C][C][=C][Branch2][Ring2][N][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][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=C][Ring2][Ring1][S][=N][O][Ring2][Ring2][Branch1]
InChI: InChI=1S/C29H29N5O5/c1-29(2,26(35)36)38-22-14-10-19(11-15-22)16-17-34(28-31-23-6-4-5-7-24(23)37-28)18-20-8-12-21(13-9-20)25-32-27(30-3)39-33-25/h4-15H,16-18H2,1-3H3,(H,35,36)(H,30,32,33)
SMILES: CN(C)c1nc(-c2ccc(CN(CCc3ccc(OC(C)(C)C(=O)O)cc3)c3nc4ccccc4o3)cc2)no1
SELFIES: [C][N][Branch1][C][C][C][=N][C][Branch2][Branch1][Branch2][C][=C][C][=C][Branch2][Ring2][N][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][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=C][Ring2][Ring1][S][=N][O][Ring2][Ring2][Branch1]
InChI: InChI=1S/C30H31N5O5/c1-30(2,27(36)37)39-23-15-11-20(12-16-23)17-18-35(29-31-24-7-5-6-8-25(24)38-29)19-21-9-13-22(14-10-21)26-32-28(34(3)4)40-33-26/h5-16H,17-19H2,1-4H3,(H,36,37)
SMILES: CC(C)(Oc1ccc(C(C)(C)CN(Cc2ccc(OC(F)(F)F)cc2)c2nc3ccccc3o2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][O][O][C][=C][C][=C][Branch2][Ring2][=C][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][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=C][Ring2][Ring1][S][C][=Branch1][C][=O][O]
InChI: InChI=1S/C29H29F3N2O5/c1-27(2,20-11-15-21(16-12-20)38-28(3,4)25(35)36)18-34(26-33-23-7-5-6-8-24(23)37-26)17-19-9-13-22(14-10-19)39-29(30,31)32/h5-16H,17-18H2,1-4H3,(H,35,36)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2nc3ccccc3s2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][Ring2][O][C][=C][C][=C][Branch2][Ring2][#Branch1][C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][Ring2][Ring1][=N][C][=Branch1][C][=O][O]
InChI: InChI=1S/C27H25F3N2O3S/c1-26(2,24(33)34)35-21-13-9-18(10-14-21)15-16-32(25-31-22-5-3-4-6-23(22)36-25)17-19-7-11-20(12-8-19)27(28,29)30/h3-14H,15-17H2,1-2H3,(H,33,34)
SMILES: COc1ccc2nc(N(CCc3ccc(OC(C)(C)C(=O)O)cc3)Cc3ccc(C(F)(F)F)cc3)sc2c1
SELFIES: [C][O][C][=C][C][=C][N][=C][Branch2][Ring2][P][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][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][S][C][Ring2][Ring1][S][=C][Ring2][Ring2][Ring2]
InChI: InChI=1S/C28H27F3N2O4S/c1-27(2,25(34)35)37-21-10-6-18(7-11-21)14-15-33(17-19-4-8-20(9-5-19)28(29,30)31)26-32-23-13-12-22(36-3)16-24(23)38-26/h4-13,16H,14-15,17H2,1-3H3,(H,34,35)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2nc3ccc(Cl)cc3s2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][#Branch1][O][C][=C][C][=C][Branch2][Ring2][#Branch2][C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][C][=C][Ring2][Ring1][=C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C27H24ClF3N2O3S/c1-26(2,24(34)35)36-21-10-5-17(6-11-21)13-14-33(16-18-3-7-19(8-4-18)27(29,30)31)25-32-22-12-9-20(28)15-23(22)37-25/h3-12,15H,13-14,16H2,1-2H3,(H,34,35)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)c2nc3ccc(Cl)cc3s2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][#C][O][C][=C][C][=C][Branch2][Branch1][C][C][C][N][Branch2][Ring1][N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][C][=C][Ring2][Ring2][C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C28H23ClF6N2O3S/c1-26(2,24(38)39)40-20-8-3-16(4-9-20)11-12-37(25-36-22-10-7-19(29)14-23(22)41-25)15-17-5-6-18(27(30,31)32)13-21(17)28(33,34)35/h3-10,13-14H,11-12,15H2,1-2H3,(H,38,39)
SMILES: Brc1ccc(-c2coc(C3CC3)n2)cc1
SELFIES: [Br][C][=C][C][=C][Branch1][#C][C][=C][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][Branch2][C][=C][Ring1][=C]
InChI: InChI=1S/C12H10BrNO/c13-10-5-3-8(4-6-10)11-7-15-12(14-11)9-1-2-9/h3-7,9H,1-2H2
SMILES: Brc1ccc(-c2cc(C3CC3)on2)cc1
SELFIES: [Br][C][=C][C][=C][Branch1][#C][C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][O][N][=Ring1][Branch2][C][=C][Ring1][=C]
InChI: InChI=1S/C12H10BrNO/c13-10-5-3-8(4-6-10)11-7-12(15-14-11)9-1-2-9/h3-7,9H,1-2H2
SMILES: Brc1ccc(-c2nc(C3CC3)co2)cc1
SELFIES: [Br][C][=C][C][=C][Branch1][#C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][O][Ring1][Branch2][C][=C][Ring1][=C]
InChI: InChI=1S/C12H10BrNO/c13-10-5-3-9(4-6-10)12-14-11(7-15-12)8-1-2-8/h3-8H,1-2H2
SMILES: O=Cc1ccc(-c2coc(C3CC3)n2)cc1
SELFIES: [O][=C][C][=C][C][=C][Branch1][#C][C][=C][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][Branch2][C][=C][Ring1][=C]
InChI: InChI=1S/C13H11NO2/c15-7-9-1-3-10(4-2-9)12-8-16-13(14-12)11-5-6-11/h1-4,7-8,11H,5-6H2
SMILES: O=Cc1ccc(-c2cc(C3CC3)on2)cc1
SELFIES: [O][=C][C][=C][C][=C][Branch1][#C][C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][O][N][=Ring1][Branch2][C][=C][Ring1][=C]
InChI: InChI=1S/C13H11NO2/c15-8-9-1-3-10(4-2-9)12-7-13(16-14-12)11-5-6-11/h1-4,7-8,11H,5-6H2
SMILES: O=Cc1ccc(-c2nc(C3CC3)co2)cc1
SELFIES: [O][=C][C][=C][C][=C][Branch1][#C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][O][Ring1][Branch2][C][=C][Ring1][=C]
InChI: InChI=1S/C13H11NO2/c15-7-9-1-3-11(4-2-9)13-14-12(8-16-13)10-5-6-10/h1-4,7-8,10H,5-6H2
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(-c3coc(C4CC4)n3)cc2)c2noc(-c3cccc(C(F)(F)F)c3)n2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][=Branch1][=Branch2][O][C][=C][C][=C][Branch2][Branch1][N][C][C][N][Branch2][Ring1][#Branch2][C][C][=C][C][=C][Branch1][#C][C][=C][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][Branch2][C][=C][Ring1][=C][C][=N][O][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=N][Ring1][#C][C][=C][Ring2][Ring2][#Branch1][C][=Branch1][C][=O][O]
InChI: InChI=1S/C34H31F3N4O5/c1-33(2,31(42)43)45-27-14-8-21(9-15-27)16-17-41(32-39-30(46-40-32)25-4-3-5-26(18-25)34(35,36)37)19-22-6-10-23(11-7-22)28-20-44-29(38-28)24-12-13-24/h3-11,14-15,18,20,24H,12-13,16-17,19H2,1-2H3,(H,42,43)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(-c3cc(C4CC4)on3)cc2)c2noc(-c3cccc(C(F)(F)F)c3)n2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][=Branch1][=Branch2][O][C][=C][C][=C][Branch2][Branch1][N][C][C][N][Branch2][Ring1][#Branch2][C][C][=C][C][=C][Branch1][#C][C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][O][N][=Ring1][Branch2][C][=C][Ring1][=C][C][=N][O][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=N][Ring1][#C][C][=C][Ring2][Ring2][#Branch1][C][=Branch1][C][=O][O]
InChI: InChI=1S/C34H31F3N4O5/c1-33(2,31(42)43)44-27-14-8-21(9-15-27)16-17-41(32-38-30(46-40-32)25-4-3-5-26(18-25)34(35,36)37)20-22-6-10-23(11-7-22)28-19-29(45-39-28)24-12-13-24/h3-11,14-15,18-19,24H,12-13,16-17,20H2,1-2H3,(H,42,43)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(-c3nc(C4CC4)co3)cc2)c2noc(-c3cccc(C(F)(F)F)c3)n2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][=Branch1][=Branch2][O][C][=C][C][=C][Branch2][Branch1][N][C][C][N][Branch2][Ring1][#Branch2][C][C][=C][C][=C][Branch1][#C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][O][Ring1][Branch2][C][=C][Ring1][=C][C][=N][O][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=N][Ring1][#C][C][=C][Ring2][Ring2][#Branch1][C][=Branch1][C][=O][O]
InChI: InChI=1S/C34H31F3N4O5/c1-33(2,31(42)43)45-27-14-8-21(9-15-27)16-17-41(32-39-30(46-40-32)25-4-3-5-26(18-25)34(35,36)37)19-22-6-10-24(11-7-22)29-38-28(20-44-29)23-12-13-23/h3-11,14-15,18,20,23H,12-13,16-17,19H2,1-2H3,(H,42,43)
SMILES: CCOC(=O)C(C)(C)Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)/C(N)=N/O)cc1
SELFIES: [C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring1][S][C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][/C][Branch1][C][N][=N][/O][C][=C][Ring2][Ring1][Branch2]
InChI: InChI=1S/C23H28F3N3O4/c1-4-32-20(30)22(2,3)33-19-11-7-16(8-12-19)13-14-29(21(27)28-31)15-17-5-9-18(10-6-17)23(24,25)26/h5-12,31H,4,13-15H2,1-3H3,(H2,27,28)
SMILES: CC(C)(C)OC(=O)C(C)(C)Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)/C(N)=N/O)cc1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring1][S][C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][/C][Branch1][C][N][=N][/O][C][=C][Ring2][Ring1][Branch2]
InChI: InChI=1S/C25H32F3N3O4/c1-23(2,3)35-21(32)24(4,5)34-20-12-8-17(9-13-20)14-15-31(22(29)30-33)16-18-6-10-19(11-7-18)25(26,27)28/h6-13,33H,14-16H2,1-5H3,(H2,29,30)
SMILES: CC(C)c1nc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(C(F)(F)F)cc2)no1
SELFIES: [C][C][Branch1][C][C][C][=N][C][Branch2][Ring2][P][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][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][O][Ring2][Ring1][S]
InChI: InChI=1S/C25H28F3N3O4/c1-16(2)21-29-23(30-35-21)31(15-18-5-9-19(10-6-18)25(26,27)28)14-13-17-7-11-20(12-8-17)34-24(3,4)22(32)33/h5-12,16H,13-15H2,1-4H3,(H,32,33)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2noc(-c3cccc(Cl)c3)n2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][O][O][C][=C][C][=C][Branch2][Ring2][=C][C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=N][O][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][Ring1][N][C][=C][Ring2][Ring1][S][C][=Branch1][C][=O][O]
InChI: InChI=1S/C28H25ClF3N3O4/c1-27(2,25(36)37)38-23-12-8-18(9-13-23)14-15-35(17-19-6-10-21(11-7-19)28(30,31)32)26-33-24(39-34-26)20-4-3-5-22(29)16-20/h3-13,16H,14-15,17H2,1-2H3,(H,36,37)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2noc(-c3ccc(C(F)(F)F)cc3)n2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][=Branch1][Ring1][O][C][=C][C][=C][Branch2][Branch1][=Branch1][C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=N][O][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][Ring1][#C][C][=C][Ring2][Ring2][Ring1][C][=Branch1][C][=O][O]
InChI: InChI=1S/C29H25F6N3O4/c1-27(2,25(39)40)41-23-13-5-18(6-14-23)15-16-38(17-19-3-9-21(10-4-19)28(30,31)32)26-36-24(42-37-26)20-7-11-22(12-8-20)29(33,34)35/h3-14H,15-17H2,1-2H3,(H,39,40)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2noc(-c3ccncc3)n2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][Branch2][O][C][=C][C][=C][Branch2][Ring2][O][C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=N][O][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring1][O][C][=C][Ring2][Ring1][#C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C27H25F3N4O4/c1-26(2,24(35)36)37-22-9-5-18(6-10-22)13-16-34(17-19-3-7-21(8-4-19)27(28,29)30)25-32-23(38-33-25)20-11-14-31-15-12-20/h3-12,14-15H,13,16-17H2,1-2H3,(H,35,36)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2noc(-c3ccc(C#N)cc3)n2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][N][O][C][=C][C][=C][Branch2][Ring2][#C][C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=N][O][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=N][Ring1][=N][C][=C][Ring2][Ring1][P][C][=Branch1][C][=O][O]
InChI: InChI=1S/C29H25F3N4O4/c1-28(2,26(37)38)39-24-13-7-19(8-14-24)15-16-36(18-21-5-11-23(12-6-21)29(30,31)32)27-34-25(40-35-27)22-9-3-20(17-33)4-10-22/h3-14H,15-16,18H2,1-2H3,(H,37,38)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2noc(C3CC3)n2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][Branch1][O][C][=C][C][=C][Branch2][Ring2][Branch2][C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=N][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][Branch2][C][=C][Ring2][Ring1][N][C][=Branch1][C][=O][O]
InChI: InChI=1S/C25H26F3N3O4/c1-24(2,22(32)33)34-20-11-5-16(6-12-20)13-14-31(23-29-21(35-30-23)18-7-8-18)15-17-3-9-19(10-4-17)25(26,27)28/h3-6,9-12,18H,7-8,13-15H2,1-2H3,(H,32,33)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2noc(C(C)(C)C)n2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][Branch2][O][C][=C][C][=C][Branch2][Ring2][O][C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=N][O][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=N][Ring1][=Branch2][C][=C][Ring2][Ring1][=N][C][=Branch1][C][=O][O]
InChI: InChI=1S/C26H30F3N3O4/c1-24(2,3)21-30-23(31-36-21)32(16-18-6-10-19(11-7-18)26(27,28)29)15-14-17-8-12-20(13-9-17)35-25(4,5)22(33)34/h6-13H,14-16H2,1-5H3,(H,33,34)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2noc(C3CCC3)n2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][=Branch1][O][C][=C][C][=C][Branch2][Ring2][=Branch2][C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=N][O][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][=N][Ring1][=Branch2][C][=C][Ring2][Ring1][=N][C][=Branch1][C][=O][O]
InChI: InChI=1S/C26H28F3N3O4/c1-25(2,23(33)34)35-21-12-8-17(9-13-21)14-15-32(24-30-22(36-31-24)19-4-3-5-19)16-18-6-10-20(11-7-18)26(27,28)29/h6-13,19H,3-5,14-16H2,1-2H3,(H,33,34)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2noc(C3CCCC3)n2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][#Branch1][O][C][=C][C][=C][Branch2][Ring2][#Branch2][C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=N][O][C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][=C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C27H30F3N3O4/c1-26(2,24(34)35)36-22-13-9-18(10-14-22)15-16-33(17-19-7-11-21(12-8-19)27(28,29)30)25-31-23(37-32-25)20-5-3-4-6-20/h7-14,20H,3-6,15-17H2,1-2H3,(H,34,35)
SMILES: CC(C)Cc1nc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(C(F)(F)F)cc2)no1
SELFIES: [C][C][Branch1][C][C][C][C][=N][C][Branch2][Ring2][P][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][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][O][Ring2][Ring1][S]
InChI: InChI=1S/C26H30F3N3O4/c1-17(2)15-22-30-24(31-36-22)32(16-19-5-9-20(10-6-19)26(27,28)29)14-13-18-7-11-21(12-8-18)35-25(3,4)23(33)34/h5-12,17H,13-16H2,1-4H3,(H,33,34)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2noc(-c3cccs3)n2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][#Branch1][O][C][=C][C][=C][Branch2][Ring2][#Branch2][C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=N][O][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][=C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C26H24F3N3O4S/c1-25(2,23(33)34)35-20-11-7-17(8-12-20)13-14-32(16-18-5-9-19(10-6-18)26(27,28)29)24-30-22(36-31-24)21-4-3-15-37-21/h3-12,15H,13-14,16H2,1-2H3,(H,33,34)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2noc(-c3ccc(Cl)c(Cl)c3)n2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][=C][O][C][=C][C][=C][Branch2][Ring2][P][C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=N][O][C][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][Ring1][=N][C][=C][Ring2][Ring1][P][C][=Branch1][C][=O][O]
InChI: InChI=1S/C28H24Cl2F3N3O4/c1-27(2,25(37)38)39-21-10-5-17(6-11-21)13-14-36(16-18-3-8-20(9-4-18)28(31,32)33)26-34-24(40-35-26)19-7-12-22(29)23(30)15-19/h3-12,15H,13-14,16H2,1-2H3,(H,37,38)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2noc(C3CCCCCC3)n2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][=Branch2][O][C][=C][C][=C][Branch2][Ring2][N][C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=N][O][C][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][#Branch1][=N][Ring1][N][C][=C][Ring2][Ring1][S][C][=Branch1][C][=O][O]
InChI: InChI=1S/C29H34F3N3O4/c1-28(2,26(36)37)38-24-15-11-20(12-16-24)17-18-35(19-21-9-13-23(14-10-21)29(30,31)32)27-33-25(39-34-27)22-7-5-3-4-6-8-22/h9-16,22H,3-8,17-19H2,1-2H3,(H,36,37)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2noc(-c3ccsc3)n2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][#Branch1][O][C][=C][C][=C][Branch2][Ring2][#Branch2][C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=N][O][C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][=C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C26H24F3N3O4S/c1-25(2,23(33)34)35-21-9-5-17(6-10-21)11-13-32(15-18-3-7-20(8-4-18)26(27,28)29)24-30-22(36-31-24)19-12-14-37-16-19/h3-10,12,14,16H,11,13,15H2,1-2H3,(H,33,34)
SMILES: CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2noc(COc3ccccc3)n2)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch2][Branch1][#Branch2][O][C][=C][C][=C][Branch2][Ring2][=N][C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=N][O][C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][=N][C][=C][Ring2][Ring1][P][C][=Branch1][C][=O][O]
InChI: InChI=1S/C29H28F3N3O5/c1-28(2,26(36)37)39-24-14-10-20(11-15-24)16-17-35(18-21-8-12-22(13-9-21)29(30,31)32)27-33-25(40-34-27)19-38-23-6-4-3-5-7-23/h3-15H,16-19H2,1-2H3,(H,36,37)