EdisonScientific/glyph-datasets huggingface dataset:
SMILES: Nc1ccccc1NC(=O)c1ccc(CN2CCN(Cc3cccnc3)C2=O)cc1
SELFIES: [N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][N][=O][C][=C][Ring2][Ring1][Ring2]
InChI: InChI=1S/C23H23N5O2/c24-20-5-1-2-6-21(20)26-22(29)19-9-7-17(8-10-19)15-27-12-13-28(23(27)30)16-18-4-3-11-25-14-18/h1-11,14H,12-13,15-16,24H2,(H,26,29)
SMILES: Nc1ccccc1NC(=O)c1ccc(CN2CCCN(Cc3cccnc3)C2=O)cc1
SELFIES: [N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][=N][=O][C][=C][Ring2][Ring1][Branch1]
InChI: InChI=1S/C24H25N5O2/c25-21-6-1-2-7-22(21)27-23(30)20-10-8-18(9-11-20)16-28-13-4-14-29(24(28)31)17-19-5-3-12-26-15-19/h1-3,5-12,15H,4,13-14,16-17,25H2,(H,27,30)
SMILES: Nc1ccccc1NC(=O)c1ccc(N2CCN(COCc3cccnc3)C2=O)cc1
SELFIES: [N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][C][N][Branch1][N][C][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][=C][=O][C][=C][Ring2][Ring1][Branch1]
InChI: InChI=1S/C23H23N5O3/c24-20-5-1-2-6-21(20)26-22(29)18-7-9-19(10-8-18)28-13-12-27(23(28)30)16-31-15-17-4-3-11-25-14-17/h1-11,14H,12-13,15-16,24H2,(H,26,29)
SMILES: Nc1ccccc1NC(=O)c1ccc(CN2CCN(Cc3cccnc3)C2=S)cc1
SELFIES: [N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][N][=S][C][=C][Ring2][Ring1][Ring2]
InChI: InChI=1S/C23H23N5OS/c24-20-5-1-2-6-21(20)26-22(29)19-9-7-17(8-10-19)15-27-12-13-28(23(27)30)16-18-4-3-11-25-14-18/h1-11,14H,12-13,15-16,24H2,(H,26,29)
SMILES: Nc1ccccc1NC(=O)c1ccc(N2CCC(COc3cccnc3)C2=O)cc1
SELFIES: [N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][C][C][Branch1][O][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][=N][=O][C][=C][Ring2][Ring1][Ring2]
InChI: InChI=1S/C23H22N4O3/c24-20-5-1-2-6-21(20)26-22(28)16-7-9-18(10-8-16)27-13-11-17(23(27)29)15-30-19-4-3-12-25-14-19/h1-10,12,14,17H,11,13,15,24H2,(H,26,28)
SMILES: Nc1nc(CC2CCN(c3ccc(C(=O)Nc4ccccc4N)cc3)C2=O)cs1
SELFIES: [N][C][=N][C][Branch2][Ring2][=Branch1][C][C][C][C][N][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Ring1][S][C][Ring2][Ring1][Branch1][=O][=C][S][Ring2][Ring1][N]
InChI: InChI=1S/C21H21N5O2S/c22-17-3-1-2-4-18(17)25-19(27)13-5-7-16(8-6-13)26-10-9-14(20(26)28)11-15-12-29-21(23)24-15/h1-8,12,14H,9-11,22H2,(H2,23,24)(H,25,27)
SMILES: Nc1ccccc1NC(=O)c1ccc(NC(=O)N2CCC(Oc3ccccn3)C2)cc1
SELFIES: [N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring1][N][C][=C][Ring2][Ring1][Branch1]
InChI: InChI=1S/C23H23N5O3/c24-19-5-1-2-6-20(19)27-22(29)16-8-10-17(11-9-16)26-23(30)28-14-12-18(15-28)31-21-7-3-4-13-25-21/h1-11,13,18H,12,14-15,24H2,(H,26,30)(H,27,29)
SMILES: Nc1ccccc1NC(=O)c1ccc(NC(=O)N2CCC(Oc3cccnc3)C2)cc1
SELFIES: [N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][C][C][Branch1][#Branch2][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][N][C][=C][Ring2][Ring1][Branch1]
InChI: InChI=1S/C23H23N5O3/c24-20-5-1-2-6-21(20)27-22(29)16-7-9-17(10-8-16)26-23(30)28-13-11-19(15-28)31-18-4-3-12-25-14-18/h1-10,12,14,19H,11,13,15,24H2,(H,26,30)(H,27,29)
SMILES: Nc1ccccc1NC(=O)c1ccc(N2CCC(COCc3cccnc3)C2=O)cc1
SELFIES: [N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][C][C][Branch1][N][C][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][=C][=O][C][=C][Ring2][Ring1][Branch1]
InChI: InChI=1S/C24H24N4O3/c25-21-5-1-2-6-22(21)27-23(29)18-7-9-20(10-8-18)28-13-11-19(24(28)30)16-31-15-17-4-3-12-26-14-17/h1-10,12,14,19H,11,13,15-16,25H2,(H,27,29)
SMILES: COc1cncc(COCC2CCN(c3ccc(C(=O)Nc4ccccc4N)cc3)C2=O)c1
SELFIES: [C][O][C][=C][N][=C][C][Branch2][Ring2][Branch2][C][O][C][C][C][C][N][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Ring1][S][C][Ring2][Ring1][Branch1][=O][=C][Ring2][Ring1][#C]
InChI: InChI=1S/C25H26N4O4/c1-32-21-12-17(13-27-14-21)15-33-16-19-10-11-29(25(19)31)20-8-6-18(7-9-20)24(30)28-23-5-3-2-4-22(23)26/h2-9,12-14,19H,10-11,15-16,26H2,1H3,(H,28,30)
SMILES: Nc1ccccc1NC(=O)c1ccc(C(=O)N2CCC(Oc3cccnc3)C2)cc1
SELFIES: [N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][#Branch2][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][N][C][=C][Ring2][Ring1][Ring2]
InChI: InChI=1S/C23H22N4O3/c24-20-5-1-2-6-21(20)26-22(28)16-7-9-17(10-8-16)23(29)27-13-11-19(15-27)30-18-4-3-12-25-14-18/h1-10,12,14,19H,11,13,15,24H2,(H,26,28)
SMILES: Nc1ccccc1NC(=O)c1cc2cc(NC(=O)CCc3cccnc3)ccc2o1
SELFIES: [N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][=C][Ring1][P][O][Ring2][Ring1][Ring2]
InChI: InChI=1S/C23H20N4O3/c24-18-5-1-2-6-19(18)27-23(29)21-13-16-12-17(8-9-20(16)30-21)26-22(28)10-7-15-4-3-11-25-14-15/h1-6,8-9,11-14H,7,10,24H2,(H,26,28)(H,27,29)
SMILES: Nc1ccccc1NC(=O)c1cc2cc(NC(=O)OCc3cccnc3)ccc2o1
SELFIES: [N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][=C][Ring1][P][O][Ring2][Ring1][Ring2]
InChI: InChI=1S/C22H18N4O4/c23-17-5-1-2-6-18(17)26-21(27)20-11-15-10-16(7-8-19(15)30-20)25-22(28)29-13-14-4-3-9-24-12-14/h1-12H,13,23H2,(H,25,28)(H,26,27)
SMILES: Nc1ccccc1NC(=O)c1cc2cc(NC(=O)COc3cccnc3)ccc2o1
SELFIES: [N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][=C][Ring1][P][O][Ring2][Ring1][Ring2]
InChI: InChI=1S/C22H18N4O4/c23-17-5-1-2-6-18(17)26-22(28)20-11-14-10-15(7-8-19(14)30-20)25-21(27)13-29-16-4-3-9-24-12-16/h1-12H,13,23H2,(H,25,27)(H,26,28)
SMILES: Nc1ccccc1NC(=O)c1cc2cc(NC(=O)CCCc3ccccn3)ccc2o1
SELFIES: [N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][C][O][Ring2][Ring1][Branch1]
InChI: InChI=1S/C24H22N4O3/c25-19-8-1-2-9-20(19)28-24(30)22-15-16-14-18(11-12-21(16)31-22)27-23(29)10-5-7-17-6-3-4-13-26-17/h1-4,6,8-9,11-15H,5,7,10,25H2,(H,27,29)(H,28,30)
SMILES: Nc1ccccc1NC(=O)c1cc2cc(NC(=O)CCOc3cccnc3)ccc2o1
SELFIES: [N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][C][O][Ring2][Ring1][Branch1]
InChI: InChI=1S/C23H20N4O4/c24-18-5-1-2-6-19(18)27-23(29)21-13-15-12-16(7-8-20(15)31-21)26-22(28)9-11-30-17-4-3-10-25-14-17/h1-8,10,12-14H,9,11,24H2,(H,26,28)(H,27,29)
SMILES: Nc1ccccc1NC(=O)c1cc2cc(NC(=O)CCCc3cccnc3)ccc2o1
SELFIES: [N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][C][O][Ring2][Ring1][Branch1]
InChI: InChI=1S/C24H22N4O3/c25-19-7-1-2-8-20(19)28-24(30)22-14-17-13-18(10-11-21(17)31-22)27-23(29)9-3-5-16-6-4-12-26-15-16/h1-2,4,6-8,10-15H,3,5,9,25H2,(H,27,29)(H,28,30)
SMILES: Nc1ccccc1NC(=O)c1cc2cc(NC(=O)NCCc3cccnc3)ccc2o1
SELFIES: [N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][C][O][Ring2][Ring1][Branch1]
InChI: InChI=1S/C23H21N5O3/c24-18-5-1-2-6-19(18)28-22(29)21-13-16-12-17(7-8-20(16)31-21)27-23(30)26-11-9-15-4-3-10-25-14-15/h1-8,10,12-14H,9,11,24H2,(H,28,29)(H2,26,27,30)
SMILES: Nc1ccccc1NC(=O)c1cc2cc(NC(=O)OCc3cccnc3)ccc2s1
SELFIES: [N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][=C][Ring1][P][S][Ring2][Ring1][Ring2]
InChI: InChI=1S/C22H18N4O3S/c23-17-5-1-2-6-18(17)26-21(27)20-11-15-10-16(7-8-19(15)30-20)25-22(28)29-13-14-4-3-9-24-12-14/h1-12H,13,23H2,(H,25,28)(H,26,27)
SMILES: Nc1ccccc1NC(=O)c1cc2cc(NC(=O)COc3cccnc3)ccc2s1
SELFIES: [N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][=C][Ring1][P][S][Ring2][Ring1][Ring2]
InChI: InChI=1S/C22H18N4O3S/c23-17-5-1-2-6-18(17)26-22(28)20-11-14-10-15(7-8-19(14)30-20)25-21(27)13-29-16-4-3-9-24-12-16/h1-12H,13,23H2,(H,25,27)(H,26,28)
SMILES: Nc1ccccc1NC(=O)c1cc2cc(NC(=O)CCCc3cccnc3)ccc2s1
SELFIES: [N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][C][S][Ring2][Ring1][Branch1]
InChI: InChI=1S/C24H22N4O2S/c25-19-7-1-2-8-20(19)28-24(30)22-14-17-13-18(10-11-21(17)31-22)27-23(29)9-3-5-16-6-4-12-26-15-16/h1-2,4,6-8,10-15H,3,5,9,25H2,(H,27,29)(H,28,30)
SMILES: Nc1ccccc1NC(=O)c1cc(NC(=O)CCCOc2cccnc2)cs1
SELFIES: [N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][S][Ring2][Ring1][C]
InChI: InChI=1S/C20H20N4O3S/c21-16-6-1-2-7-17(16)24-20(26)18-11-14(13-28-18)23-19(25)8-4-10-27-15-5-3-9-22-12-15/h1-3,5-7,9,11-13H,4,8,10,21H2,(H,23,25)(H,24,26)
SMILES: Nc1ccccc1NC(=O)c1cc(NC(=O)OCCOc2cccnc2)cs1
SELFIES: [N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][O][C][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][S][Ring2][Ring1][C]
InChI: InChI=1S/C19H18N4O4S/c20-15-5-1-2-6-16(15)23-18(24)17-10-13(12-28-17)22-19(25)27-9-8-26-14-4-3-7-21-11-14/h1-7,10-12H,8-9,20H2,(H,22,25)(H,23,24)
SMILES: Nc1ccccc1NC(=O)c1cc(NC(=O)COCc2cccnc2)cs1
SELFIES: [N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][S][Ring1][P]
InChI: InChI=1S/C19H18N4O3S/c20-15-5-1-2-6-16(15)23-19(25)17-8-14(12-27-17)22-18(24)11-26-10-13-4-3-7-21-9-13/h1-9,12H,10-11,20H2,(H,22,24)(H,23,25)
SMILES: Nc1ccccc1NC(=O)c1cc(NC(=O)CCOc2cccnc2)cs1
SELFIES: [N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][S][Ring1][P]
InChI: InChI=1S/C19H18N4O3S/c20-15-5-1-2-6-16(15)23-19(25)17-10-13(12-27-17)22-18(24)7-9-26-14-4-3-8-21-11-14/h1-6,8,10-12H,7,9,20H2,(H,22,24)(H,23,25)
SMILES: CC(OCc1cccnc1)C(=O)Nc1ccc(C(=O)Nc2ccccc2N)cc1
SELFIES: [C][C][Branch1][O][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Ring1][S]
InChI: InChI=1S/C22H22N4O3/c1-15(29-14-16-5-4-12-24-13-16)21(27)25-18-10-8-17(9-11-18)22(28)26-20-7-3-2-6-19(20)23/h2-13,15H,14,23H2,1H3,(H,25,27)(H,26,28)
SMILES: CC(Oc1cccnc1)C(=O)Nc1ccc(C(=O)Nc2ccccc2N)cc1
SELFIES: [C][C][Branch1][#Branch2][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Ring1][S]
InChI: InChI=1S/C21H20N4O3/c1-14(28-17-5-4-12-23-13-17)20(26)24-16-10-8-15(9-11-16)21(27)25-19-7-3-2-6-18(19)22/h2-14H,22H2,1H3,(H,24,26)(H,25,27)
SMILES: CC(Oc1cccnc1)C(=O)NCc1ccc(C(=O)Nc2ccccc2N)cc1
SELFIES: [C][C][Branch1][#Branch2][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Ring1][S]
InChI: InChI=1S/C22H22N4O3/c1-15(29-18-5-4-12-24-14-18)21(27)25-13-16-8-10-17(11-9-16)22(28)26-20-7-3-2-6-19(20)23/h2-12,14-15H,13,23H2,1H3,(H,25,27)(H,26,28)
SMILES: CC(OC(=O)NCc1ccc(C(=O)Nc2ccccc2N)cc1)c1cccnc1
SELFIES: [C][C][Branch2][Ring1][S][O][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Ring1][S][C][=C][C][=C][N][=C][Ring1][=Branch1]
InChI: InChI=1S/C22H22N4O3/c1-15(18-5-4-12-24-14-18)29-22(28)25-13-16-8-10-17(11-9-16)21(27)26-20-7-3-2-6-19(20)23/h2-12,14-15H,13,23H2,1H3,(H,25,28)(H,26,27)
SMILES: CC(NC(=O)OCc1cccnc1)c1ccc(C(=O)Nc2ccccc2N)cc1
SELFIES: [C][C][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Ring1][S]
InChI: InChI=1S/C22H22N4O3/c1-15(25-22(28)29-14-16-5-4-12-24-13-16)17-8-10-18(11-9-17)21(27)26-20-7-3-2-6-19(20)23/h2-13,15H,14,23H2,1H3,(H,25,28)(H,26,27)
SMILES: CC(NC(=O)COc1cccnc1)c1ccc(C(=O)Nc2ccccc2N)cc1
SELFIES: [C][C][Branch1][S][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Ring1][S]
InChI: InChI=1S/C22H22N4O3/c1-15(25-21(27)14-29-18-5-4-12-24-13-18)16-8-10-17(11-9-16)22(28)26-20-7-3-2-6-19(20)23/h2-13,15H,14,23H2,1H3,(H,25,27)(H,26,28)
SMILES: CC(OCC(=O)Nc1ccc(C(=O)Nc2ccccc2N)cc1)c1cccnc1
SELFIES: [C][C][Branch2][Ring1][S][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Ring1][S][C][=C][C][=C][N][=C][Ring1][=Branch1]
InChI: InChI=1S/C22H22N4O3/c1-15(17-5-4-12-24-13-17)29-14-21(27)25-18-10-8-16(9-11-18)22(28)26-20-7-3-2-6-19(20)23/h2-13,15H,14,23H2,1H3,(H,25,27)(H,26,28)
SMILES: CC(NC(=O)NCc1cccnc1)c1ccc(C(=O)Nc2ccccc2N)cc1
SELFIES: [C][C][Branch1][S][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Ring1][S]
InChI: InChI=1S/C22H23N5O2/c1-15(26-22(29)25-14-16-5-4-12-24-13-16)17-8-10-18(11-9-17)21(28)27-20-7-3-2-6-19(20)23/h2-13,15H,14,23H2,1H3,(H,27,28)(H2,25,26,29)
SMILES: CC(NC(=O)NCc1ccc(C(=O)Nc2ccccc2N)cc1)c1cccnc1
SELFIES: [C][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Ring1][S][C][=C][C][=C][N][=C][Ring1][=Branch1]
InChI: InChI=1S/C22H23N5O2/c1-15(18-5-4-12-24-14-18)26-22(29)25-13-16-8-10-17(11-9-16)21(28)27-20-7-3-2-6-19(20)23/h2-12,14-15H,13,23H2,1H3,(H,27,28)(H2,25,26,29)
SMILES: CC(NC(=O)NCc1ccc(C(=O)Nc2cc(F)ccc2N)cc1)c1cccnc1
SELFIES: [C][C][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][C][=C][Ring1][P][C][=C][C][=C][N][=C][Ring1][=Branch1]
InChI: InChI=1S/C22H22FN5O2/c1-14(17-3-2-10-25-13-17)27-22(30)26-12-15-4-6-16(7-5-15)21(29)28-20-11-18(23)8-9-19(20)24/h2-11,13-14H,12,24H2,1H3,(H,28,29)(H2,26,27,30)
SMILES: CC(Nc1cccnc1)C(=O)NCc1ccc(C(=O)Nc2ccccc2N)cc1
SELFIES: [C][C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Ring1][S]
InChI: InChI=1S/C22H23N5O2/c1-15(26-18-5-4-12-24-14-18)21(28)25-13-16-8-10-17(11-9-16)22(29)27-20-7-3-2-6-19(20)23/h2-12,14-15,26H,13,23H2,1H3,(H,25,28)(H,27,29)
SMILES: CC(NC(=O)CNc1cccnc1)c1ccc(C(=O)Nc2ccccc2N)cc1
SELFIES: [C][C][Branch1][S][N][C][=Branch1][C][=O][C][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Ring1][S]
InChI: InChI=1S/C22H23N5O2/c1-15(26-21(28)14-25-18-5-4-12-24-13-18)16-8-10-17(11-9-16)22(29)27-20-7-3-2-6-19(20)23/h2-13,15,25H,14,23H2,1H3,(H,26,28)(H,27,29)
SMILES: CC(NCc1cccnc1)C(=O)Nc1ccc(C(=O)Nc2ccccc2N)cc1
SELFIES: [C][C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Ring1][S]
InChI: InChI=1S/C22H23N5O2/c1-15(25-14-16-5-4-12-24-13-16)21(28)26-18-10-8-17(9-11-18)22(29)27-20-7-3-2-6-19(20)23/h2-13,15,25H,14,23H2,1H3,(H,26,28)(H,27,29)
SMILES: CC(NCC(=O)Nc1ccc(C(=O)Nc2ccccc2N)cc1)c1cccnc1
SELFIES: [C][C][Branch2][Ring1][S][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Ring1][S][C][=C][C][=C][N][=C][Ring1][=Branch1]
InChI: InChI=1S/C22H23N5O2/c1-15(17-5-4-12-24-13-17)25-14-21(28)26-18-10-8-16(9-11-18)22(29)27-20-7-3-2-6-19(20)23/h2-13,15,25H,14,23H2,1H3,(H,26,28)(H,27,29)
SMILES: O=C(Nc1ccc(C2=N[C@H](Cc3ccccc3)CO2)cc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
SELFIES: [O][=C][Branch2][Ring1][S][N][C][=C][C][=C][Branch2][Ring1][Ring1][C][=N][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][Ring1][N][C][=C][Ring2][Ring1][C][N][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C]
InChI: InChI=1S/C28H30N4O4S/c33-28(31-24-13-15-26(16-14-24)37(34,35)32-17-5-2-6-18-32)30-23-11-9-22(10-12-23)27-29-25(20-36-27)19-21-7-3-1-4-8-21/h1,3-4,7-16,25H,2,5-6,17-20H2,(H2,30,31,33)/t25-/m1/s1
SMILES: BBB(B)B.C.CC(O)c1ccc(F)c(C(=O)n2nc(Nc3ccc(S(N)(=O)=O)cc3)nc2N)c1F
SELFIES: [B][B][B][Branch1][C][B][B].[C].[C][C][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][N][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][N][=C][Ring1][S][N][=C][Ring2][Ring1][#Branch2][F]
InChI: InChI=1S/C17H16F2N6O4S.CH4.B5H7/c1-8(26)11-6-7-12(18)13(14(11)19)15(27)25-16(20)23-17(24-25)22-9-2-4-10(5-3-9)30(21,28)29;;1-4-5(2)3/h2-8,26H,1H3,(H2,21,28,29)(H3,20,22,23,24);1H4;4H,1-3H2
SMILES: CCNS(=O)(=O)c1ccc(Nc2nc(N)n(C(=O)c3c(F)cccc3F)n2)cc1
SELFIES: [C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=C][N][C][N][=C][Branch1][C][N][N][Branch1][P][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][N][=Ring1][S][C][=C][Ring2][Ring1][#Branch1]
InChI: InChI=1S/C17H16F2N6O3S/c1-2-21-29(27,28)11-8-6-10(7-9-11)22-17-23-16(20)25(24-17)15(26)14-12(18)4-3-5-13(14)19/h3-9,21H,2H2,1H3,(H3,20,22,23,24)
SMILES: COc1ccc(C(=O)CCCN=[N+]=[N-])cc1
SELFIES: [C][O][C][=C][C][=C][Branch1][O][C][=Branch1][C][=O][C][C][C][N][=N+1][=N-1][C][=C][Ring1][=C]
InChI: InChI=1S/C11H13N3O2/c1-16-10-6-4-9(5-7-10)11(15)3-2-8-13-14-12/h4-7H,2-3,8H2,1H3
SMILES: COc1ccc(C(=O)C(Br)CCN=[N+]=[N-])cc1
SELFIES: [C][O][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][C][Branch1][C][Br][C][C][N][=N+1][=N-1][C][=C][Ring1][#C]
InChI: InChI=1S/C11H12BrN3O2/c1-17-9-4-2-8(3-5-9)11(16)10(12)6-7-14-15-13/h2-5,10H,6-7H2,1H3
SMILES: COc1ccc(-c2[nH]c(-c3cccs3)nc2CCN=[N+]=[N-])cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][NH1][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][C][=Ring1][#Branch2][C][C][N][=N+1][=N-1][C][=C][Ring2][Ring1][Branch1]
InChI: InChI=1S/C16H15N5OS/c1-22-12-6-4-11(5-7-12)15-13(8-9-18-21-17)19-16(20-15)14-3-2-10-23-14/h2-7,10H,8-9H2,1H3,(H,19,20)
SMILES: COc1ccc(-c2[nH]c(-c3cccs3)nc2CCN)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][NH1][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][C][=Ring1][#Branch2][C][C][N][C][=C][Ring2][Ring1][Ring1]
InChI: InChI=1S/C16H17N3OS/c1-20-12-6-4-11(5-7-12)15-13(8-9-17)18-16(19-15)14-3-2-10-21-14/h2-7,10H,8-9,17H2,1H3,(H,18,19)
SMILES: CCCCN1CCN(S(=O)(=O)NCCc2nc(-c3cccs3)[nH]c2-c2ccc(OC)cc2)CC1
SELFIES: [C][C][C][C][N][C][C][N][Branch2][Ring2][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][NH1][C][=Ring1][#Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][Ring2][Ring1][=C]
InChI: InChI=1S/C24H33N5O3S2/c1-3-4-13-28-14-16-29(17-15-28)34(30,31)25-12-11-21-23(19-7-9-20(32-2)10-8-19)27-24(26-21)22-6-5-18-33-22/h5-10,18,25H,3-4,11-17H2,1-2H3,(H,26,27)
SMILES: CCCCCN1CCC(N(C)C(=O)OC(C)(C)C)C1
SELFIES: [C][C][C][C][C][N][C][C][C][Branch2][Ring1][C][N][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=C]
InChI: InChI=1S/C15H30N2O2/c1-6-7-8-10-17-11-9-13(12-17)16(5)14(18)19-15(2,3)4/h13H,6-12H2,1-5H3
SMILES: CCCCCN1CCC(NC)C1
SELFIES: [C][C][C][C][C][N][C][C][C][Branch1][Ring1][N][C][C][Ring1][#Branch1]
InChI: InChI=1S/C10H22N2/c1-3-4-5-7-12-8-6-10(9-12)11-2/h10-11H,3-9H2,1-2H3
SMILES: CCCCCN1CCC(N(C)S(=O)(=O)NCCc2nc(-c3cccs3)[nH]c2-c2ccc(OC)cc2)C1
SELFIES: [C][C][C][C][C][N][C][C][C][Branch2][Ring2][O][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][NH1][C][=Ring1][#Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Ring2][Ring1][#C]
InChI: InChI=1S/C26H37N5O3S2/c1-4-5-6-16-31-17-14-21(19-31)30(2)36(32,33)27-15-13-23-25(20-9-11-22(34-3)12-10-20)29-26(28-23)24-8-7-18-35-24/h7-12,18,21,27H,4-6,13-17,19H2,1-3H3,(H,28,29)
SMILES: CC(=O)N[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1=O
SELFIES: [C][C][=Branch1][C][=O][N][C@@H1][C][C][=Branch1][C][=O][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=C][=O]
InChI: InChI=1S/C13H13FN2O3/c1-8(17)15-11-6-12(18)16(13(11)19)7-9-2-4-10(14)5-3-9/h2-5,11H,6-7H2,1H3,(H,15,17)/t11-/m1/s1
SMILES: CCN[C@@H]1CCN(Cc2ccc(F)cc2)C1
SELFIES: [C][C][N][C@@H1][C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=N]
InChI: InChI=1S/C13H19FN2/c1-2-15-13-7-8-16(10-13)9-11-3-5-12(14)6-4-11/h3-6,13,15H,2,7-10H2,1H3/t13-/m1/s1
SMILES: CCN([C@@H]1CCN(Cc2ccc(F)cc2)C1)S(=O)(=O)NCCc1nc(-c2cccs2)[nH]c1-c1ccc(OC)cc1
SELFIES: [C][C][N][Branch2][Ring1][=Branch1][C@@H1][C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][NH1][C][=Ring1][#Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2]
InChI: InChI=1S/C29H34FN5O3S2/c1-3-35(24-15-17-34(20-24)19-21-6-10-23(30)11-7-21)40(36,37)31-16-14-26-28(22-8-12-25(38-2)13-9-22)33-29(32-26)27-5-4-18-39-27/h4-13,18,24,31H,3,14-17,19-20H2,1-2H3,(H,32,33)/t24-/m1/s1
SMILES: CCCCCN1CCN(S(=O)(=O)NCCc2nc(-c3cccs3)[nH]c2-c2ccc(OC)cc2)CC1
SELFIES: [C][C][C][C][C][N][C][C][N][Branch2][Ring2][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][NH1][C][=Ring1][#Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][Ring2][Ring1][=C]
InChI: InChI=1S/C25H35N5O3S2/c1-3-4-5-14-29-15-17-30(18-16-29)35(31,32)26-13-12-22-24(20-8-10-21(33-2)11-9-20)28-25(27-22)23-7-6-19-34-23/h6-11,19,26H,3-5,12-18H2,1-2H3,(H,27,28)
SMILES: COc1ccc(-c2[nH]c(-c3cccs3)nc2CCNS(=O)(=O)N2CCN(c3ccccc3Cl)CC2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring2][=C][C][NH1][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][C][=Ring1][#Branch2][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][Ring1][=N][C][=C][Ring2][Ring2][Ring1]
InChI: InChI=1S/C26H28ClN5O3S2/c1-35-20-10-8-19(9-11-20)25-22(29-26(30-25)24-7-4-18-36-24)12-13-28-37(33,34)32-16-14-31(15-17-32)23-6-3-2-5-21(23)27/h2-11,18,28H,12-17H2,1H3,(H,29,30)
SMILES: COc1ccc(-c2[nH]c(-c3cccs3)nc2CCNS(=O)(=O)NC2CCN(Cc3ccccc3)C2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring2][=C][C][NH1][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][C][=Ring1][#Branch2][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][C][=C][Ring2][Ring2][Ring1]
InChI: InChI=1S/C27H31N5O3S2/c1-35-23-11-9-21(10-12-23)26-24(29-27(30-26)25-8-5-17-36-25)13-15-28-37(33,34)31-22-14-16-32(19-22)18-20-6-3-2-4-7-20/h2-12,17,22,28,31H,13-16,18-19H2,1H3,(H,29,30)