EdisonScientific/glyph-datasets huggingface dataset:
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Branch1][Branch1][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][C][Ring1][#C][C][=C][Ring2][Ring2][=Branch1]
InChI: InChI=1S/C28H30N6O5S/c1-39-25-13-7-21(8-14-25)27-26(30-28(31-27)22-5-3-2-4-6-22)15-16-29-40(37,38)33-19-17-32(18-20-33)23-9-11-24(12-10-23)34(35)36/h2-14,29H,15-20H2,1H3,(H,30,31)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)N(C)C2CCN(C)CC2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring2][O][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][S]
InChI: InChI=1S/C25H33N5O3S/c1-29-17-14-21(15-18-29)30(2)34(31,32)26-16-13-23-24(19-9-11-22(33-3)12-10-19)28-25(27-23)20-7-5-4-6-8-20/h4-12,21,26H,13-18H2,1-3H3,(H,27,28)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Branch1][=Branch2][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][C][Ring1][S][C][=C][Ring2][Ring2][#Branch1]
InChI: InChI=1S/C29H30F3N5O3S/c1-40-25-12-10-21(11-13-25)27-26(34-28(35-27)22-6-3-2-4-7-22)14-15-33-41(38,39)37-18-16-36(17-19-37)24-9-5-8-23(20-24)29(30,31)32/h2-13,20,33H,14-19H2,1H3,(H,34,35)
SMILES: C=CCN1CCN(S(=O)(=O)NCCc2nc(-c3ccccc3)[nH]c2-c2ccc(OC)cc2)CC1
SELFIES: [C][=C][C][N][C][C][N][Branch2][Ring2][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=Ring1][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][Ring2][Ring1][#C]
InChI: InChI=1S/C25H31N5O3S/c1-3-15-29-16-18-30(19-17-29)34(31,32)26-14-13-23-24(20-9-11-22(33-2)12-10-20)28-25(27-23)21-7-5-4-6-8-21/h3-12,26H,1,13-19H2,2H3,(H,27,28)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)N2CCN(C(C)C)CC2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring2][O][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][C][Ring1][=Branch2][C][=C][Ring2][Ring1][S]
InChI: InChI=1S/C25H33N5O3S/c1-19(2)29-15-17-30(18-16-29)34(31,32)26-14-13-23-24(20-9-11-22(33-3)12-10-20)28-25(27-23)21-7-5-4-6-8-21/h4-12,19,26H,13-18H2,1-3H3,(H,27,28)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)N2CCN(C3CCCC3)CC2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring2][=N][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][O][C][=C][Ring2][Ring2][C]
InChI: InChI=1S/C27H35N5O3S/c1-35-24-13-11-21(12-14-24)26-25(29-27(30-26)22-7-3-2-4-8-22)15-16-28-36(33,34)32-19-17-31(18-20-32)23-9-5-6-10-23/h2-4,7-8,11-14,23,28H,5-6,9-10,15-20H2,1H3,(H,29,30)
SMILES: COc1ccc(-c2nc(-c3ccccc3)[nH]c2CCNS(=O)(=O)N2CCN(c3ncccc3C#N)CC2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring2][S][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=Ring1][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][#N][C][C][Ring1][=C][C][=C][Ring2][Ring2][Branch1]
InChI: InChI=1S/C28H29N7O3S/c1-38-24-11-9-21(10-12-24)26-25(32-27(33-26)22-6-3-2-4-7-22)13-15-31-39(36,37)35-18-16-34(17-19-35)28-23(20-29)8-5-14-30-28/h2-12,14,31H,13,15-19H2,1H3,(H,32,33)
SMILES: COCCN1CCN(S(=O)(=O)NCCc2[nH]c(-c3ccccc3)nc2-c2ccc(OC)cc2)CC1
SELFIES: [C][O][C][C][N][C][C][N][Branch2][Ring2][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][Ring2][Ring1][#C]
InChI: InChI=1S/C25H33N5O4S/c1-33-19-18-29-14-16-30(17-15-29)35(31,32)26-13-12-23-24(20-8-10-22(34-2)11-9-20)28-25(27-23)21-6-4-3-5-7-21/h3-11,26H,12-19H2,1-2H3,(H,27,28)
SMILES: COc1ccc(-c2nc(-c3ccccc3)[nH]c2CCNS(=O)(=O)NCCCN(C)c2ccccc2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring2][N][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=Ring1][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring2][Ring1]
InChI: InChI=1S/C28H33N5O3S/c1-33(24-12-7-4-8-13-24)21-9-19-29-37(34,35)30-20-18-26-27(22-14-16-25(36-2)17-15-22)32-28(31-26)23-10-5-3-6-11-23/h3-8,10-17,29-30H,9,18-21H2,1-2H3,(H,31,32)
SMILES: CCCCCN1CCN(S(=O)(=O)NCCc2nc(-c3ccccc3)[nH]c2-c2ccc(OC)cc2)CC1
SELFIES: [C][C][C][C][C][N][C][C][N][Branch2][Ring2][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=Ring1][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][Ring2][Ring1][#C]
InChI: InChI=1S/C27H37N5O3S/c1-3-4-8-17-31-18-20-32(21-19-31)36(33,34)28-16-15-25-26(22-11-13-24(35-2)14-12-22)30-27(29-25)23-9-6-5-7-10-23/h5-7,9-14,28H,3-4,8,15-21H2,1-2H3,(H,29,30)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)N2CCN(CCO)CC2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring2][=Branch2][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][Ring2][C][C][O][C][C][Ring1][=Branch2][C][=C][Ring2][Ring1][S]
InChI: InChI=1S/C24H31N5O4S/c1-33-21-9-7-19(8-10-21)23-22(26-24(27-23)20-5-3-2-4-6-20)11-12-25-34(31,32)29-15-13-28(14-16-29)17-18-30/h2-10,25,30H,11-18H2,1H3,(H,26,27)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)N2CCC(c3[nH]cnc3C)CC2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring2][=C][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][C][NH1][C][=N][C][=Ring1][Branch1][C][C][C][Ring1][N][C][=C][Ring2][Ring2][Ring1]
InChI: InChI=1S/C27H32N6O3S/c1-19-25(29-18-28-19)21-13-16-33(17-14-21)37(34,35)30-15-12-24-26(20-8-10-23(36-2)11-9-20)32-27(31-24)22-6-4-3-5-7-22/h3-11,18,21,30H,12-17H2,1-2H3,(H,28,29)(H,31,32)
SMILES: CCCCCC1(O)CCN(S(=O)(=O)NCCc2nc(-c3ccccc3)[nH]c2-c2ccc(OC)cc2)CC1
SELFIES: [C][C][C][C][C][C][Branch1][C][O][C][C][N][Branch2][Ring2][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=Ring1][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][Ring2][Ring1][S]
InChI: InChI=1S/C28H38N4O4S/c1-3-4-8-16-28(33)17-20-32(21-18-28)37(34,35)29-19-15-25-26(22-11-13-24(36-2)14-12-22)31-27(30-25)23-9-6-5-7-10-23/h5-7,9-14,29,33H,3-4,8,15-21H2,1-2H3,(H,30,31)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)N2CCN(C(C)c3ccccc3)CC2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Branch1][C][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C][C][=C][Ring2][Ring2][Branch1]
InChI: InChI=1S/C30H35N5O3S/c1-23(24-9-5-3-6-10-24)34-19-21-35(22-20-34)39(36,37)31-18-17-28-29(25-13-15-27(38-2)16-14-25)33-30(32-28)26-11-7-4-8-12-26/h3-16,23,31H,17-22H2,1-2H3,(H,32,33)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)N2CCN(c3ccncc3)CC2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring2][=C][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][N][C][=C][Ring2][Ring2][Ring1]
InChI: InChI=1S/C27H30N6O3S/c1-36-24-9-7-21(8-10-24)26-25(30-27(31-26)22-5-3-2-4-6-22)13-16-29-37(34,35)33-19-17-32(18-20-33)23-11-14-28-15-12-23/h2-12,14-15,29H,13,16-20H2,1H3,(H,30,31)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)N2CCC(N3CCCC3)CC2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring2][=N][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][C][C][Ring1][O][C][=C][Ring2][Ring2][C]
InChI: InChI=1S/C27H35N5O3S/c1-35-24-11-9-21(10-12-24)26-25(29-27(30-26)22-7-3-2-4-8-22)13-16-28-36(33,34)32-19-14-23(15-20-32)31-17-5-6-18-31/h2-4,7-12,23,28H,5-6,13-20H2,1H3,(H,29,30)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)NCCC2CCCN2C)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][C][N][Ring1][Branch1][C][C][=C][Ring2][Ring1][S]
InChI: InChI=1S/C25H33N5O3S/c1-30-18-6-9-21(30)14-16-26-34(31,32)27-17-15-23-24(19-10-12-22(33-2)13-11-19)29-25(28-23)20-7-4-3-5-8-20/h3-5,7-8,10-13,21,26-27H,6,9,14-18H2,1-2H3,(H,28,29)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Branch1][=Branch2][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2][C][C][Ring1][S][C][=C][Ring2][Ring2][#Branch1]
InChI: InChI=1S/C28H29F3N6O3S/c1-40-23-10-7-20(8-11-23)26-24(34-27(35-26)21-5-3-2-4-6-21)13-14-33-41(38,39)37-17-15-36(16-18-37)25-12-9-22(19-32-25)28(29,30)31/h2-12,19,33H,13-18H2,1H3,(H,34,35)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring2][#C][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring2][Ring2]
InChI: InChI=1S/C29H33N5O3S/c1-37-26-14-12-24(13-15-26)28-27(31-29(32-28)25-10-6-3-7-11-25)16-17-30-38(35,36)34-20-18-33(19-21-34)22-23-8-4-2-5-9-23/h2-15,30H,16-22H2,1H3,(H,31,32)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)N2CCC3(CC2)C(=O)NCN3c2ccccc2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Branch1][#Branch1][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][N][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring2][Branch2]
InChI: InChI=1S/C31H34N6O4S/c1-41-26-14-12-23(13-15-26)28-27(34-29(35-28)24-8-4-2-5-9-24)16-19-33-42(39,40)36-20-17-31(18-21-36)30(38)32-22-37(31)25-10-6-3-7-11-25/h2-15,33H,16-22H2,1H3,(H,32,38)(H,34,35)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)NC2CCN(Cc3ccccc3)CC2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring2][S][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][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][C][Ring1][=N][C][=C][Ring2][Ring2][Branch1]
InChI: InChI=1S/C30H35N5O3S/c1-38-27-14-12-24(13-15-27)29-28(32-30(33-29)25-10-6-3-7-11-25)16-19-31-39(36,37)34-26-17-20-35(21-18-26)22-23-8-4-2-5-9-23/h2-15,26,31,34H,16-22H2,1H3,(H,32,33)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)N(CCN(C)C)Cc2ccccc2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring2][#C][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][Branch2][C][C][N][Branch1][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring2][Ring2]
InChI: InChI=1S/C29H35N5O3S/c1-33(2)20-21-34(22-23-10-6-4-7-11-23)38(35,36)30-19-18-27-28(24-14-16-26(37-3)17-15-24)32-29(31-27)25-12-8-5-9-13-25/h4-17,30H,18-22H2,1-3H3,(H,31,32)
SMILES: CCOc1ccccc1N1CCN(S(=O)(=O)NCCc2nc(-c3ccccc3)[nH]c2-c2ccc(OC)cc2)CC1
SELFIES: [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring2][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=Ring1][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][Ring2][Ring1][#C]
InChI: InChI=1S/C30H35N5O4S/c1-3-39-28-12-8-7-11-27(28)34-19-21-35(22-20-34)40(36,37)31-18-17-26-29(23-13-15-25(38-2)16-14-23)33-30(32-26)24-9-5-4-6-10-24/h4-16,31H,3,17-22H2,1-2H3,(H,32,33)
SMILES: CCN(CC)CCN(Cc1ccc(Cl)cc1)S(=O)(=O)NCCc1nc(-c2ccccc2)[nH]c1-c1ccc(OC)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=Ring1][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2]
InChI: InChI=1S/C31H38ClN5O3S/c1-4-36(5-2)21-22-37(23-24-11-15-27(32)16-12-24)41(38,39)33-20-19-29-30(25-13-17-28(40-3)18-14-25)35-31(34-29)26-9-7-6-8-10-26/h6-18,33H,4-5,19-23H2,1-3H3,(H,34,35)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)N2CCN(c3ccccc3)C(C)C2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring2][P][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][Ring1][=N][C][=C][Ring2][Ring2][Ring2]
InChI: InChI=1S/C29H33N5O3S/c1-22-21-33(19-20-34(22)25-11-7-4-8-12-25)38(35,36)30-18-17-27-28(23-13-15-26(37-2)16-14-23)32-29(31-27)24-9-5-3-6-10-24/h3-16,22,30H,17-21H2,1-2H3,(H,31,32)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)N2CCN(c3ccc(OC)cc3)C(C)C2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Branch1][Branch1][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Branch1][C][C][C][Ring1][#C][C][=C][Ring2][Ring2][=Branch1]
InChI: InChI=1S/C30H35N5O4S/c1-22-21-34(19-20-35(22)25-11-15-27(39-3)16-12-25)40(36,37)31-18-17-28-29(23-9-13-26(38-2)14-10-23)33-30(32-28)24-7-5-4-6-8-24/h4-16,22,31H,17-21H2,1-3H3,(H,32,33)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)N2CCN(c3ccc(C)cc3C)CC2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Branch1][C][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][C][Ring1][=C][C][=C][Ring2][Ring2][Branch1]
InChI: InChI=1S/C30H35N5O3S/c1-22-9-14-28(23(2)21-22)34-17-19-35(20-18-34)39(36,37)31-16-15-27-29(24-10-12-26(38-3)13-11-24)33-30(32-27)25-7-5-4-6-8-25/h4-14,21,31H,15-20H2,1-3H3,(H,32,33)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Branch1][Ring2][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][Ring1][=C][C][=C][Ring2][Ring2][Branch1]
InChI: InChI=1S/C28H29Cl2N5O3S/c1-38-23-10-7-20(8-11-23)27-26(32-28(33-27)21-5-3-2-4-6-21)13-14-31-39(36,37)35-17-15-34(16-18-35)22-9-12-24(29)25(30)19-22/h2-12,19,31H,13-18H2,1H3,(H,32,33)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)N2CCN(c3ccc(C)c(C)c3)CC2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Branch1][Ring2][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][#C][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][C][C][Ring1][=C][C][=C][Ring2][Ring2][Branch1]
InChI: InChI=1S/C30H35N5O3S/c1-22-9-12-26(21-23(22)2)34-17-19-35(20-18-34)39(36,37)31-16-15-28-29(24-10-13-27(38-3)14-11-24)33-30(32-28)25-7-5-4-6-8-25/h4-14,21,31H,15-20H2,1-3H3,(H,32,33)
SMILES: CCN(CCNS(=O)(=O)NCCc1nc(-c2ccccc2)[nH]c1-c1ccc(OC)cc1)c1cccc(C)c1
SELFIES: [C][C][N][Branch2][Ring2][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=Ring1][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C29H35N5O3S/c1-4-34(25-12-8-9-22(2)21-25)20-19-31-38(35,36)30-18-17-27-28(23-13-15-26(37-3)16-14-23)33-29(32-27)24-10-6-5-7-11-24/h5-16,21,30-31H,4,17-20H2,1-3H3,(H,32,33)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)N2CCN(c3ccc(C)cc3)CC2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring2][P][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring2][Ring2]
InChI: InChI=1S/C29H33N5O3S/c1-22-8-12-25(13-9-22)33-18-20-34(21-19-33)38(35,36)30-17-16-27-28(23-10-14-26(37-2)15-11-23)32-29(31-27)24-6-4-3-5-7-24/h3-15,30H,16-21H2,1-2H3,(H,31,32)
SMILES: CCN(CC)c1ccc(NS(=O)(=O)NCCc2[nH]c(-c3ccccc3)nc2-c2ccc(OC)cc2)c(C)c1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch2][Ring2][=Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Branch1][C][C][=C][Ring2][Ring1][P]
InChI: InChI=1S/C29H35N5O3S/c1-5-34(6-2)24-14-17-26(21(3)20-24)33-38(35,36)30-19-18-27-28(22-12-15-25(37-4)16-13-22)32-29(31-27)23-10-8-7-9-11-23/h7-17,20,30,33H,5-6,18-19H2,1-4H3,(H,31,32)
SMILES: CCN(CC)c1ccc(NS(=O)(=O)NCCc2[nH]c(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch2][Ring2][=Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][S]
InChI: InChI=1S/C28H33N5O3S/c1-4-33(5-2)24-15-13-23(14-16-24)32-37(34,35)29-20-19-26-27(21-11-17-25(36-3)18-12-21)31-28(30-26)22-9-7-6-8-10-22/h6-18,29,32H,4-5,19-20H2,1-3H3,(H,30,31)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Branch1][C][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][C][C][Ring1][=C][C][=C][Ring2][Ring2][Branch1]
InChI: InChI=1S/C30H35N5O3S/c1-22-8-7-9-23(2)29(22)34-18-20-35(21-19-34)39(36,37)31-17-16-27-28(24-12-14-26(38-3)15-13-24)33-30(32-27)25-10-5-4-6-11-25/h4-15,31H,16-21H2,1-3H3,(H,32,33)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)N2CCN(c3cc(C)ccc3C)CC2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Branch1][C][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][C][C][Ring1][=C][C][=C][Ring2][Ring2][Branch1]
InChI: InChI=1S/C30H35N5O3S/c1-22-9-10-23(2)28(21-22)34-17-19-35(20-18-34)39(36,37)31-16-15-27-29(24-11-13-26(38-3)14-12-24)33-30(32-27)25-7-5-4-6-8-25/h4-14,21,31H,15-20H2,1-3H3,(H,32,33)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)N2CCN(c3ccccc3C)CC2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring2][#C][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][=N][C][=C][Ring2][Ring2][Ring2]
InChI: InChI=1S/C29H33N5O3S/c1-22-8-6-7-11-27(22)33-18-20-34(21-19-33)38(35,36)30-17-16-26-28(23-12-14-25(37-2)15-13-23)32-29(31-26)24-9-4-3-5-10-24/h3-15,30H,16-21H2,1-2H3,(H,31,32)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring2][#C][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][=N][C][=C][Ring2][Ring2][Ring2]
InChI: InChI=1S/C28H30FN5O3S/c1-37-23-13-11-21(12-14-23)27-25(31-28(32-27)22-7-3-2-4-8-22)15-16-30-38(35,36)34-19-17-33(18-20-34)26-10-6-5-9-24(26)29/h2-14,30H,15-20H2,1H3,(H,31,32)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Branch1][Ring1][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][C][C][Ring1][#C][C][=C][Ring2][Ring2][=Branch1]
InChI: InChI=1S/C28H30N6O5S/c1-39-23-13-11-21(12-14-23)27-24(30-28(31-27)22-7-3-2-4-8-22)15-16-29-40(37,38)33-19-17-32(18-20-33)25-9-5-6-10-26(25)34(35)36/h2-14,29H,15-20H2,1H3,(H,30,31)
SMILES: CCc1ccccc1N1CCN(S(=O)(=O)NCCc2nc(-c3ccccc3)[nH]c2-c2ccc(OC)cc2)CC1
SELFIES: [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring2][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=Ring1][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][Ring2][Ring1][#C]
InChI: InChI=1S/C30H35N5O3S/c1-3-23-9-7-8-12-28(23)34-19-21-35(22-20-34)39(36,37)31-18-17-27-29(24-13-15-26(38-2)16-14-24)33-30(32-27)25-10-5-4-6-11-25/h4-16,31H,3,17-22H2,1-2H3,(H,32,33)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring2][P][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring2][Ring2]
InChI: InChI=1S/C28H30ClN5O3S/c1-37-25-12-10-21(11-13-25)27-26(31-28(32-27)22-6-3-2-4-7-22)14-15-30-38(35,36)34-18-16-33(17-19-34)24-9-5-8-23(29)20-24/h2-13,20,30H,14-19H2,1H3,(H,31,32)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)N2CCN(c3cccc(C)c3)CC2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring2][P][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring2][Ring2]
InChI: InChI=1S/C29H33N5O3S/c1-22-7-6-10-25(21-22)33-17-19-34(20-18-33)38(35,36)30-16-15-27-28(23-11-13-26(37-2)14-12-23)32-29(31-27)24-8-4-3-5-9-24/h3-14,21,30H,15-20H2,1-2H3,(H,31,32)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)N2CCN(CCc3ccccc3)CC2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring2][S][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C][C][=C][Ring2][Ring2][Branch1]
InChI: InChI=1S/C30H35N5O3S/c1-38-27-14-12-25(13-15-27)29-28(32-30(33-29)26-10-6-3-7-11-26)16-18-31-39(36,37)35-22-20-34(21-23-35)19-17-24-8-4-2-5-9-24/h2-15,31H,16-23H2,1H3,(H,32,33)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Branch1][Ring2][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][#C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][Ring1][=C][C][=C][Ring2][Ring2][Branch1]
InChI: InChI=1S/C28H29Cl2N5O3S/c1-38-25-9-7-20(8-10-25)27-26(32-28(33-27)21-5-3-2-4-6-21)11-12-31-39(36,37)35-15-13-34(14-16-35)24-18-22(29)17-23(30)19-24/h2-10,17-19,31H,11-16H2,1H3,(H,32,33)