EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CN(C)C(=N)c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cn3)cnn2C)cc1
SELFIES: [C][N][Branch1][C][C][C][=Branch1][C][=N][C][=C][C][=C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=N][N][Ring1][#C][C][C][=C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C20H20ClN7O2/c1-27(2)17(22)12-4-6-13(7-5-12)19(29)26-18-15(11-24-28(18)3)20(30)25-16-9-8-14(21)10-23-16/h4-11,22H,1-3H3,(H,26,29)(H,23,25,30)
SMILES: CN(C)C(=N)c1ccc(C(=O)Nc2c(C(=O)Nc3ncc(Cl)cc3F)cnn2C)cc1
SELFIES: [C][N][Branch1][C][C][C][=Branch1][C][=N][C][=C][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][F][C][=N][N][Ring1][S][C][C][=C][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C20H19ClFN7O2/c1-28(2)16(23)11-4-6-12(7-5-11)19(30)27-18-14(10-25-29(18)3)20(31)26-17-15(22)8-13(21)9-24-17/h4-10,23H,1-3H3,(H,27,30)(H,24,26,31)
SMILES: CN1CCN(C(=N)c2ccc(C(=O)Nc3c(C(=O)Nc4ccc(Cl)cc4)cnn3C)cc2)CC1
SELFIES: [C][N][C][C][N][Branch2][Ring2][S][C][=Branch1][C][=N][C][=C][C][=C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=N][N][Ring1][#C][C][C][=C][Ring2][Ring1][=Branch2][C][C][Ring2][Ring1][P]
InChI: InChI=1S/C24H26ClN7O2/c1-30-11-13-32(14-12-30)21(26)16-3-5-17(6-4-16)23(33)29-22-20(15-27-31(22)2)24(34)28-19-9-7-18(25)8-10-19/h3-10,15,26H,11-14H2,1-2H3,(H,28,34)(H,29,33)
SMILES: N=C(c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Cl)cc2)c(F)c1)N1CCCCC1
SELFIES: [N][=C][Branch2][Ring2][S][C][=C][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][F][=C][Ring2][Ring1][O][N][C][C][C][C][C][Ring1][=Branch1]
InChI: InChI=1S/C26H23ClF2N4O2/c27-17-5-8-19(9-6-17)31-26(35)21-15-18(28)7-11-23(21)32-25(34)20-10-4-16(14-22(20)29)24(30)33-12-2-1-3-13-33/h4-11,14-15,30H,1-3,12-13H2,(H,31,35)(H,32,34)
SMILES: N=C(N)c1cccc(Oc2ccc(F)cc2NC(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1
SELFIES: [N][=C][Branch1][C][N][C][=C][C][=C][C][Branch2][Ring2][N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][S][=C][Ring2][Ring1][P]
InChI: InChI=1S/C26H21FN4O4S/c27-19-12-13-23(35-20-5-3-4-18(14-20)25(28)29)22(15-19)31-26(32)17-10-8-16(9-11-17)21-6-1-2-7-24(21)36(30,33)34/h1-15H,(H3,28,29)(H,31,32)(H2,30,33,34)
SMILES: N=C(N)c1cccc(Oc2ccc(C(F)(F)F)cc2NC(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1
SELFIES: [N][=C][Branch1][C][N][C][=C][C][=C][C][Branch2][Branch1][Ring1][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][S][=C][Ring2][Ring2][Ring2]
InChI: InChI=1S/C27H21F3N4O4S/c28-27(29,30)19-12-13-23(38-20-5-3-4-18(14-20)25(31)32)22(15-19)34-26(35)17-10-8-16(9-11-17)21-6-1-2-7-24(21)39(33,36)37/h1-15H,(H3,31,32)(H,34,35)(H2,33,36,37)
SMILES: CS(=O)(=O)c1ccc(Oc2cccc(C(=N)N)c2)c(NC(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1
SELFIES: [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][P][O][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=N][N][=C][Ring1][=Branch2][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][S][=C][Ring2][Ring2][Ring1]
InChI: InChI=1S/C27H24N4O6S2/c1-38(33,34)21-13-14-24(37-20-6-4-5-19(15-20)26(28)29)23(16-21)31-27(32)18-11-9-17(10-12-18)22-7-2-3-8-25(22)39(30,35)36/h2-16H,1H3,(H3,28,29)(H,31,32)(H2,30,35,36)
SMILES: COc1ccc(NC(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)c(Oc2cccc(C(=N)N)c2)c1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][S][C][Branch1][P][O][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=N][N][=C][Ring1][=Branch2][=C][Ring2][Ring2][Ring1]
InChI: InChI=1S/C27H24N4O5S/c1-35-20-13-14-23(24(16-20)36-21-6-4-5-19(15-21)26(28)29)31-27(32)18-11-9-17(10-12-18)22-7-2-3-8-25(22)37(30,33)34/h2-16H,1H3,(H3,28,29)(H,31,32)(H2,30,33,34)
SMILES: N=C(N)c1cccc(Oc2cc(O)ccc2NC(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1
SELFIES: [N][=C][Branch1][C][N][C][=C][C][=C][C][Branch2][Ring2][N][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][S][=C][Ring2][Ring1][P]
InChI: InChI=1S/C26H22N4O5S/c27-25(28)18-4-3-5-20(14-18)35-23-15-19(31)12-13-22(23)30-26(32)17-10-8-16(9-11-17)21-6-1-2-7-24(21)36(29,33)34/h1-15,31H,(H3,27,28)(H,30,32)(H2,29,33,34)
SMILES: COC(=O)c1ccc(Oc2cccc(C(=N)N)c2)c(NC(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1
SELFIES: [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][O][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=N][N][=C][Ring1][=Branch2][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][S][=C][Ring2][Ring2][Ring1]
InChI: InChI=1S/C28H24N4O6S/c1-37-28(34)20-13-14-24(38-21-6-4-5-19(15-21)26(29)30)23(16-20)32-27(33)18-11-9-17(10-12-18)22-7-2-3-8-25(22)39(31,35)36/h2-16H,1H3,(H3,29,30)(H,32,33)(H2,31,35,36)
SMILES: N=C(N)c1cccc(Oc2ccc(C(=O)O)cc2NC(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1
SELFIES: [N][=C][Branch1][C][N][C][=C][C][=C][C][Branch2][Ring2][S][O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][S][=C][Ring2][Ring2][Ring1]
InChI: InChI=1S/C27H22N4O6S/c28-25(29)18-4-3-5-20(14-18)37-23-13-12-19(27(33)34)15-22(23)31-26(32)17-10-8-16(9-11-17)21-6-1-2-7-24(21)38(30,35)36/h1-15H,(H3,28,29)(H,31,32)(H,33,34)(H2,30,35,36)
SMILES: N=C(N)c1cccc(Nc2ccccc2NC(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1
SELFIES: [N][=C][Branch1][C][N][C][=C][C][=C][C][Branch2][Ring2][=Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][S][=C][Ring2][Ring1][S]
InChI: InChI=1S/C26H23N5O3S/c27-25(28)19-6-5-7-20(16-19)30-22-9-2-3-10-23(22)31-26(32)18-14-12-17(13-15-18)21-8-1-4-11-24(21)35(29,33)34/h1-16,30H,(H3,27,28)(H,31,32)(H2,29,33,34)
SMILES: Nc1nccc2ccc(Oc3ccc(F)cc3NC(=O)c3ccc(-c4ccccc4S(N)(=O)=O)cc3)cc12
SELFIES: [N][C][=N][C][=C][C][=C][C][=C][Branch2][Ring2][N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][S][C][=C][Ring2][Ring2][Branch1][Ring2][Ring1][P]
InChI: InChI=1S/C28H21FN4O4S/c29-20-10-12-25(37-21-11-9-18-13-14-32-27(30)23(18)16-21)24(15-20)33-28(34)19-7-5-17(6-8-19)22-3-1-2-4-26(22)38(31,35)36/h1-16H,(H2,30,32)(H,33,34)(H2,31,35,36)
SMILES: Nc1nccc2ccc(Oc3ccc(C(F)(F)F)cc3NC(=O)c3ccc(-c4ccccc4S(N)(=O)=O)cc3)cc12
SELFIES: [N][C][=N][C][=C][C][=C][C][=C][Branch2][Branch1][Ring1][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][S][C][=C][Ring2][Ring2][Branch2][Ring2][Ring2][Ring2]
InChI: InChI=1S/C29H21F3N4O4S/c30-29(31,32)20-10-12-25(40-21-11-9-18-13-14-35-27(33)23(18)16-21)24(15-20)36-28(37)19-7-5-17(6-8-19)22-3-1-2-4-26(22)41(34,38)39/h1-16H,(H2,33,35)(H,36,37)(H2,34,38,39)
SMILES: CS(=O)(=O)c1ccc(Oc2ccc3ccnc(N)c3c2)c(NC(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1
SELFIES: [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][=C][C][=C][C][=C][N][=C][Branch1][C][N][C][Ring1][#Branch1][=C][Ring1][O][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][S][=C][Ring2][Ring2][Branch1]
InChI: InChI=1S/C29H24N4O6S2/c1-40(35,36)22-12-13-26(39-21-11-10-19-14-15-32-28(30)24(19)16-21)25(17-22)33-29(34)20-8-6-18(7-9-20)23-4-2-3-5-27(23)41(31,37)38/h2-17H,1H3,(H2,30,32)(H,33,34)(H2,31,37,38)
SMILES: N=C(N)c1cccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1
SELFIES: [N][=C][Branch1][C][N][C][=C][C][=C][C][Branch2][Ring2][S][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][S][=C][Ring2][Ring2][Ring1]
InChI: InChI=1S/C26H21N5O6S/c27-25(28)17-4-3-5-20(14-17)37-23-13-12-19(31(33)34)15-22(23)26(32)30-18-10-8-16(9-11-18)21-6-1-2-7-24(21)38(29,35)36/h1-15H,(H3,27,28)(H,30,32)(H2,29,35,36)
SMILES: N=C(N)c1cccc(Oc2ccc(N)cc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1
SELFIES: [N][=C][Branch1][C][N][C][=C][C][=C][C][Branch2][Ring2][N][O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][S][=C][Ring2][Ring1][P]
InChI: InChI=1S/C26H23N5O4S/c27-18-10-13-23(35-20-5-3-4-17(14-20)25(28)29)22(15-18)26(32)31-19-11-8-16(9-12-19)21-6-1-2-7-24(21)36(30,33)34/h1-15H,27H2,(H3,28,29)(H,31,32)(H2,30,33,34)
SMILES: N=C(N)c1cccc(Oc2ccc(Cl)cc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1
SELFIES: [N][=C][Branch1][C][N][C][=C][C][=C][C][Branch2][Ring2][N][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][S][=C][Ring2][Ring1][P]
InChI: InChI=1S/C26H21ClN4O4S/c27-18-10-13-23(35-20-5-3-4-17(14-20)25(28)29)22(15-18)26(32)31-19-11-8-16(9-12-19)21-6-1-2-7-24(21)36(30,33)34/h1-15H,(H3,28,29)(H,31,32)(H2,30,33,34)
SMILES: N=C(N)c1cccc(Oc2ccc(Br)cc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1
SELFIES: [N][=C][Branch1][C][N][C][=C][C][=C][C][Branch2][Ring2][N][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][S][=C][Ring2][Ring1][P]
InChI: InChI=1S/C26H21BrN4O4S/c27-18-10-13-23(35-20-5-3-4-17(14-20)25(28)29)22(15-18)26(32)31-19-11-8-16(9-12-19)21-6-1-2-7-24(21)36(30,33)34/h1-15H,(H3,28,29)(H,31,32)(H2,30,33,34)
SMILES: COC(=O)c1cc2ccccc2cc1Oc1ccccc1NC(=O)c1ccc(-c2ccccc2S(N)(=O)=O)cc1
SELFIES: [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][S]
InChI: InChI=1S/C31H24N2O6S/c1-38-31(35)25-18-22-8-2-3-9-23(22)19-28(25)39-27-12-6-5-11-26(27)33-30(34)21-16-14-20(15-17-21)24-10-4-7-13-29(24)40(32,36)37/h2-19H,1H3,(H,33,34)(H2,32,36,37)
SMILES: NC(=O)c1cc2ccccc2cc1Oc1ccccc1NC(=O)c1ccc(-c2ccccc2S(N)(=O)=O)cc1
SELFIES: [N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][S]
InChI: InChI=1S/C30H23N3O5S/c31-29(34)24-17-21-7-1-2-8-22(21)18-27(24)38-26-11-5-4-10-25(26)33-30(35)20-15-13-19(14-16-20)23-9-3-6-12-28(23)39(32,36)37/h1-18H,(H2,31,34)(H,33,35)(H2,32,36,37)
SMILES: COC(=O)c1cc2cc(Br)ccc2cc1Oc1ccccc1NC(=O)c1ccc(-c2ccccc2S(N)(=O)=O)cc1
SELFIES: [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][C][=C][Ring1][O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][S]
InChI: InChI=1S/C31H23BrN2O6S/c1-39-31(36)25-17-22-16-23(32)15-14-21(22)18-28(25)40-27-8-4-3-7-26(27)34-30(35)20-12-10-19(11-13-20)24-6-2-5-9-29(24)41(33,37)38/h2-18H,1H3,(H,34,35)(H2,33,37,38)
SMILES: N=C(N)c1cccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2F)c1
SELFIES: [N][=C][Branch1][C][N][C][=C][C][=C][C][Branch2][Ring2][P][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][S][F][=C][Ring2][Ring2][Ring2]
InChI: InChI=1S/C26H20FN5O6S/c27-21-13-15(19-6-1-2-7-24(19)39(30,36)37)8-10-22(21)31-26(33)20-14-17(32(34)35)9-11-23(20)38-18-5-3-4-16(12-18)25(28)29/h1-14H,(H3,28,29)(H,31,33)(H2,30,36,37)
SMILES: N=C(N)c1cccc(Oc2ccc(N)cc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2F)c1
SELFIES: [N][=C][Branch1][C][N][C][=C][C][=C][C][Branch2][Ring2][=N][O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][S][F][=C][Ring2][Ring2][C]
InChI: InChI=1S/C26H22FN5O4S/c27-21-13-15(19-6-1-2-7-24(19)37(31,34)35)8-10-22(21)32-26(33)20-14-17(28)9-11-23(20)36-18-5-3-4-16(12-18)25(29)30/h1-14H,28H2,(H3,29,30)(H,32,33)(H2,31,34,35)
SMILES: CS(=O)(=O)Nc1ccc(Oc2cccc(C(=N)N)c2)c(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1
SELFIES: [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][O][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=N][N][=C][Ring1][=Branch2][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][S][=C][Ring2][Ring2][Ring1]
InChI: InChI=1S/C27H25N5O6S2/c1-39(34,35)32-20-13-14-24(38-21-6-4-5-18(15-21)26(28)29)23(16-20)27(33)31-19-11-9-17(10-12-19)22-7-2-3-8-25(22)40(30,36)37/h2-16,32H,1H3,(H3,28,29)(H,31,33)(H2,30,36,37)
SMILES: NCc1cccc(Oc2ccccc2NC(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1
SELFIES: [N][C][C][=C][C][=C][C][Branch2][Ring2][=Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][S][=C][Ring2][Ring1][S]
InChI: InChI=1S/C26H23N3O4S/c27-17-18-6-5-7-21(16-18)33-24-10-3-2-9-23(24)29-26(30)20-14-12-19(13-15-20)22-8-1-4-11-25(22)34(28,31)32/h1-16H,17,27H2,(H,29,30)(H2,28,31,32)
SMILES: N=C(N)c1cccc(C(=O)Nc2ccccc2NC(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1
SELFIES: [N][=C][Branch1][C][N][C][=C][C][=C][C][Branch2][Ring2][=N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][S][=C][Ring2][Ring2][C]
InChI: InChI=1S/C27H23N5O4S/c28-25(29)19-6-5-7-20(16-19)27(34)32-23-10-3-2-9-22(23)31-26(33)18-14-12-17(13-15-18)21-8-1-4-11-24(21)37(30,35)36/h1-16H,(H3,28,29)(H,31,33)(H,32,34)(H2,30,35,36)
SMILES: Cc1c[nH]c2ccccc12
SELFIES: [C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1]
InChI: InChI=1S/C9H9N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6,10H,1H3
SMILES: CCc1ccc(O)c(O)c1
SELFIES: [C][C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2]
InChI: InChI=1S/C8H10O2/c1-2-6-3-4-7(9)8(10)5-6/h3-5,9-10H,2H2,1H3
SMILES: Cc1c(C(=O)c2ccccc2)cn2nc[nH]c(=O)c12
SELFIES: [C][C][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][N][=C][NH1][C][=Branch1][C][=O][C][=Ring2][Ring1][C][Ring1][#Branch1]
InChI: InChI=1S/C14H11N3O2/c1-9-11(13(18)10-5-3-2-4-6-10)7-17-12(9)14(19)15-8-16-17/h2-8H,1H3,(H,15,16,19)
SMILES: Cc1c(C(=O)c2ccccc2)cn2ncnc(Cl)c12
SELFIES: [C][C][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][N][=C][N][=C][Branch1][C][Cl][C][=Ring2][Ring1][C][Ring1][#Branch1]
InChI: InChI=1S/C14H10ClN3O/c1-9-11(13(19)10-5-3-2-4-6-10)7-18-12(9)14(15)16-8-17-18/h2-8H,1H3
SMILES: COCCNC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)c4ccccc4)c(C)c23)c1
SELFIES: [C][O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][P][N][C][=N][C][=N][N][C][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][C][Ring1][=C][=C][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C25H25N5O3/c1-16-9-10-19(25(32)26-11-12-33-3)13-21(16)29-24-22-17(2)20(14-30(22)28-15-27-24)23(31)18-7-5-4-6-8-18/h4-10,13-15H,11-12H2,1-3H3,(H,26,32)(H,27,28,29)
SMILES: Cc1cccc(C(=O)c2cn3ncnc(Cl)c3c2C)n1
SELFIES: [C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][N][N][=C][N][=C][Branch1][C][Cl][C][Ring1][#Branch1][=C][Ring1][#Branch2][C][=N][Ring2][Ring1][Ring1]
InChI: InChI=1S/C14H11ClN4O/c1-8-4-3-5-11(18-8)13(20)10-6-19-12(9(10)2)14(15)16-7-17-19/h3-7H,1-2H3
SMILES: CCOC(=O)c1cn2ncnc(Cl)c2c1C
SELFIES: [C][C][O][C][=Branch1][C][=O][C][=C][N][N][=C][N][=C][Branch1][C][Cl][C][Ring1][#Branch1][=C][Ring1][#Branch2][C]
InChI: InChI=1S/C10H10ClN3O2/c1-3-16-10(15)7-4-14-8(6(7)2)9(11)12-5-13-14/h4-5H,3H2,1-2H3
SMILES: Cc1ccc(C(=O)O)cc1Nc1ncnn2cc(CO)c(C)c12
SELFIES: [C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][N][C][=N][C][=N][N][C][=C][Branch1][Ring1][C][O][C][Branch1][C][C][=C][Ring1][N][Ring1][Branch2]
InChI: InChI=1S/C16H16N4O3/c1-9-3-4-11(16(22)23)5-13(9)19-15-14-10(2)12(7-21)6-20(14)18-8-17-15/h3-6,8,21H,7H2,1-2H3,(H,22,23)(H,17,18,19)
SMILES: CNC(=O)c1ccc(C)c(Nc2ncnn3cc(CO)c(C)c23)c1
SELFIES: [C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][=Branch1][N][C][=N][C][=N][N][C][=C][Branch1][Ring1][C][O][C][Branch1][C][C][=C][Ring1][N][Ring1][Branch2][=C][Ring2][Ring1][Ring2]
InChI: InChI=1S/C17H19N5O2/c1-10-4-5-12(17(24)18-3)6-14(10)21-16-15-11(2)13(8-23)7-22(15)20-9-19-16/h4-7,9,23H,8H2,1-3H3,(H,18,24)(H,19,20,21)
SMILES: CNC(=O)c1ccc(C)c(Nc2ncnn3cc(C=O)c(C)c23)c1
SELFIES: [C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][=Branch1][N][C][=N][C][=N][N][C][=C][Branch1][Ring1][C][=O][C][Branch1][C][C][=C][Ring1][N][Ring1][Branch2][=C][Ring2][Ring1][Ring2]
InChI: InChI=1S/C17H17N5O2/c1-10-4-5-12(17(24)18-3)6-14(10)21-16-15-11(2)13(8-23)7-22(15)20-9-19-16/h4-9H,1-3H3,(H,18,24)(H,19,20,21)
SMILES: CC(C)(C)OCOC(C)(C)C
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][O][C][Branch1][C][C][Branch1][C][C][C]
InChI: InChI=1S/C9H20O2/c1-8(2,3)10-7-11-9(4,5)6/h7H2,1-6H3
SMILES: CC/C=C/c1ccc(Cl)cc1
SELFIES: [C][C][/C][=C][/C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C10H11Cl/c1-2-3-4-9-5-7-10(11)8-6-9/h3-8H,2H2,1H3/b4-3+
SMILES: CCCCc1ccccc1Cl
SELFIES: [C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl]
InChI: InChI=1S/C10H13Cl/c1-2-3-6-9-7-4-5-8-10(9)11/h4-5,7-8H,2-3,6H2,1H3
SMILES: CC(C)CC1(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)CC3NCc4ccccc43)CC2)CCCC1
SELFIES: [C][C][Branch1][C][C][C][C][Branch2][Branch1][Ring1][N][C][C][N][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][C][Ring2][Ring1][=C][C][C][C][C][Ring2][Ring2][Ring1]
InChI: InChI=1S/C32H43ClN4O2/c1-23(2)21-32(13-5-6-14-32)37-17-15-36(16-18-37)31(39)29(19-24-9-11-26(33)12-10-24)35-30(38)20-28-27-8-4-3-7-25(27)22-34-28/h3-4,7-12,23,28-29,34H,5-6,13-22H2,1-2H3,(H,35,38)/t28?,29-/m1/s1
SMILES: CCN(CC)CC1(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@H]3Cc4ccccc4CN3)CC2)CCCC1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][Branch2][Branch1][Ring1][N][C][C][N][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@H1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][#Branch2][C][C][Ring2][Ring1][=C][C][C][C][C][Ring2][Ring2][Ring1]
InChI: InChI=1S/C33H46ClN5O2/c1-3-37(4-2)24-33(15-7-8-16-33)39-19-17-38(18-20-39)32(41)30(21-25-11-13-28(34)14-12-25)36-31(40)29-22-26-9-5-6-10-27(26)23-35-29/h5-6,9-14,29-30,35H,3-4,7-8,15-24H2,1-2H3,(H,36,40)/t29-,30-/m1/s1
SMILES: CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@@H1][Ring1][#Branch2][C][=Branch1][C][=O][N][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O]
InChI: InChI=1S/C24H27ClN2O5/c1-24(2,3)32-23(31)27-14-17-7-5-4-6-16(17)13-20(27)21(28)26-19(22(29)30)12-15-8-10-18(25)11-9-15/h4-11,19-20H,12-14H2,1-3H3,(H,26,28)(H,29,30)/t19-,20-/m1/s1
SMILES: CN1CCc2ccccc2C1CC(=O)[O-].[Li+]
SELFIES: [C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][C][=Branch1][C][=O][O-1].[Li+1]
InChI: InChI=1S/C12H15NO2.Li/c1-13-7-6-9-4-2-3-5-10(9)11(13)8-12(14)15;/h2-5,11H,6-8H2,1H3,(H,14,15);/q;+1/p-1
SMILES: CC(C)N1Cc2ccccc2C1CC(=O)O
SELFIES: [C][C][Branch1][C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C13H17NO2/c1-9(2)14-8-10-5-3-4-6-11(10)12(14)7-13(15)16/h3-6,9,12H,7-8H2,1-2H3,(H,15,16)
SMILES: CN1Cc2ccccc2C1CC(=O)O
SELFIES: [C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C11H13NO2/c1-12-7-8-4-2-3-5-9(8)10(12)6-11(13)14/h2-5,10H,6-7H2,1H3,(H,13,14)
SMILES: CCCCN1Cc2ccccc2C1CC(=O)O
SELFIES: [C][C][C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C14H19NO2/c1-2-3-8-15-10-11-6-4-5-7-12(11)13(15)9-14(16)17/h4-7,13H,2-3,8-10H2,1H3,(H,16,17)
SMILES: CN1Cc2ccccc2C1CC(=O)[O-].[K+]
SELFIES: [C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][C][C][=Branch1][C][=O][O-1].[K+1]
InChI: InChI=1S/C11H13NO2.K/c1-12-7-8-4-2-3-5-9(8)10(12)6-11(13)14;/h2-5,10H,6-7H2,1H3,(H,13,14);/q;+1/p-1
SMILES: CC(C)(C)OC(=O)N1Cc2cc(F)ccc2C[C@@H]1C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][C@@H1][Ring1][O][C][=Branch1][C][=O][O]
InChI: InChI=1S/C15H18FNO4/c1-15(2,3)21-14(20)17-8-10-6-11(16)5-4-9(10)7-12(17)13(18)19/h4-6,12H,7-8H2,1-3H3,(H,18,19)/t12-/m1/s1
SMILES: CC(C)(C)OC(=O)N1Cc2ccccc2CC1(C)C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#Branch2][Branch1][C][C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C16H21NO4/c1-15(2,3)21-14(20)17-10-12-8-6-5-7-11(12)9-16(17,4)13(18)19/h5-8H,9-10H2,1-4H3,(H,18,19)
SMILES: CCOC(=O)/C=C(\C)c1ccccc1CNC(=O)OC(C)(C)C
SELFIES: [C][C][O][C][=Branch1][C][=O][/C][=C][Branch1][C][\C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]
InChI: InChI=1S/C18H25NO4/c1-6-22-16(20)11-13(2)15-10-8-7-9-14(15)12-19-17(21)23-18(3,4)5/h7-11H,6,12H2,1-5H3,(H,19,21)/b13-11+
SMILES: CCOC(=O)CC1(C)NCc2ccccc21
SELFIES: [C][C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2]
InChI: InChI=1S/C13H17NO2/c1-3-16-12(15)8-13(2)11-7-5-4-6-10(11)9-14-13/h4-7,14H,3,8-9H2,1-2H3
SMILES: CCOC(=O)CC1(C)c2ccccc2CN1C(=O)OC(C)(C)C
SELFIES: [C][C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][#Branch2][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]
InChI: InChI=1S/C18H25NO4/c1-6-22-15(20)11-18(5)14-10-8-7-9-13(14)12-19(18)16(21)23-17(2,3)4/h7-10H,6,11-12H2,1-5H3
SMILES: CC(C)(C)OC(=O)N1Cc2ccccc2C1(C)CC(=O)O
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][Branch1][C][C][C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C16H21NO4/c1-15(2,3)21-14(20)17-10-11-7-5-6-8-12(11)16(17,4)9-13(18)19/h5-8H,9-10H2,1-4H3,(H,18,19)