EdisonScientific/glyph-datasets huggingface dataset:
SMILES: COc1ccc(-c2[nH]c(-c3cccs3)nc2CCNS(=O)(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Branch1][Ring1][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][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][Ring1][=C][C][=C][Ring2][Ring2][Ring2]
InChI: InChI=1S/C26H27Cl2N5O3S2/c1-36-20-7-4-18(5-8-20)25-23(30-26(31-25)24-3-2-16-37-24)10-11-29-38(34,35)33-14-12-32(13-15-33)19-6-9-21(27)22(28)17-19/h2-9,16-17,29H,10-15H2,1H3,(H,30,31)
SMILES: COc1ccc(-c2[nH]c(-c3cccs3)nc2CCNS(=O)(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring2][P][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][Branch1][C][C][C@@H1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][C][=C][Ring2][Ring2][Ring2]
InChI: InChI=1S/C28H33N5O3S2/c1-32(23-15-17-33(20-23)19-21-7-4-3-5-8-21)38(34,35)29-16-14-25-27(22-10-12-24(36-2)13-11-22)31-28(30-25)26-9-6-18-37-26/h3-13,18,23,29H,14-17,19-20H2,1-2H3,(H,30,31)/t23-/m1/s1
SMILES: CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)NCCc1nc(-c2cccs2)[nH]c1-c1ccc(C(F)(F)F)cc1
SELFIES: [C][N][Branch2][Ring1][Ring1][C@@H1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][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][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2]
InChI: InChI=1S/C28H30F3N5O2S2/c1-35(23-14-16-36(19-23)18-20-6-3-2-4-7-20)40(37,38)32-15-13-24-26(34-27(33-24)25-8-5-17-39-25)21-9-11-22(12-10-21)28(29,30)31/h2-12,17,23,32H,13-16,18-19H2,1H3,(H,33,34)/t23-/m1/s1
SMILES: CCCCCN1CCN(S(=O)(=O)NCCc2nc(-c3cccs3)[nH]c2-c2ccc(C(F)(F)F)cc2)CC1
SELFIES: [C][C][C][C][C][N][C][C][N][Branch2][Ring2][=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][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][C][Ring2][Ring1][S]
InChI: InChI=1S/C25H32F3N5O2S2/c1-2-3-4-13-32-14-16-33(17-15-32)37(34,35)29-12-11-21-23(31-24(30-21)22-6-5-18-36-22)19-7-9-20(10-8-19)25(26,27)28/h5-10,18,29H,2-4,11-17H2,1H3,(H,30,31)
SMILES: CCCCN1CCN(S(=O)(=O)NCCc2nc(-c3cccs3)[nH]c2-c2ccc(C(F)(F)F)cc2)CC1
SELFIES: [C][C][C][C][N][C][C][N][Branch2][Ring2][=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][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][C][Ring2][Ring1][S]
InChI: InChI=1S/C24H30F3N5O2S2/c1-2-3-12-31-13-15-32(16-14-31)36(33,34)28-11-10-20-22(30-23(29-20)21-5-4-17-35-21)18-6-8-19(9-7-18)24(25,26)27/h4-9,17,28H,2-3,10-16H2,1H3,(H,29,30)
SMILES: CCCN1CCC(N(C)S(=O)(=O)NCCc2nc(-c3ccccc3)[nH]c2-c2ccc(OC)cc2)C1
SELFIES: [C][C][C][N][C][C][C][Branch2][Ring2][N][N][Branch1][C][C][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][Ring2][Ring1][S]
InChI: InChI=1S/C26H35N5O3S/c1-4-17-31-18-15-22(19-31)30(2)35(32,33)27-16-14-24-25(20-10-12-23(34-3)13-11-20)29-26(28-24)21-8-6-5-7-9-21/h5-13,22,27H,4,14-19H2,1-3H3,(H,28,29)
SMILES: CCCCCN1CCC(N(C)S(=O)(=O)NCCc2nc(-c3ccccc3)[nH]c2-c2ccc(OC)cc2)C1
SELFIES: [C][C][C][C][C][N][C][C][C][Branch2][Ring2][N][N][Branch1][C][C][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][Ring2][Ring1][S]
InChI: InChI=1S/C28H39N5O3S/c1-4-5-9-19-33-20-17-24(21-33)32(2)37(34,35)29-18-16-26-27(22-12-14-25(36-3)15-13-22)31-28(30-26)23-10-7-6-8-11-23/h6-8,10-15,24,29H,4-5,9,16-21H2,1-3H3,(H,30,31)
SMILES: CC#CCN1CCC(N(C)S(=O)(=O)NCCc2nc(-c3ccccc3)[nH]c2-c2ccc(OC)cc2)C1
SELFIES: [C][C][#C][C][N][C][C][C][Branch2][Ring2][N][N][Branch1][C][C][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][Ring2][Ring1][S]
InChI: InChI=1S/C27H33N5O3S/c1-4-5-18-32-19-16-23(20-32)31(2)36(33,34)28-17-15-25-26(21-11-13-24(35-3)14-12-21)30-27(29-25)22-9-7-6-8-10-22/h6-14,23,28H,15-20H2,1-3H3,(H,29,30)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)N(C)C2CCN(CCCC(F)(F)F)C2)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][Branch1][C][C][C][C][C][N][Branch1][N][C][C][C][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][N][C][=C][Ring2][Ring2][Branch1]
InChI: InChI=1S/C27H34F3N5O3S/c1-34(22-14-18-35(19-22)17-6-15-27(28,29)30)39(36,37)31-16-13-24-25(20-9-11-23(38-2)12-10-20)33-26(32-24)21-7-4-3-5-8-21/h3-5,7-12,22,31H,6,13-19H2,1-2H3,(H,32,33)
SMILES: COc1ccc(-c2[nH]c(-c3ccsc3)nc2CCNS(=O)(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring2][P][C][NH1][C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][=N][C][=Ring1][#Branch2][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C@@H1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][C][=C][Ring2][Ring2][Ring2]
InChI: InChI=1S/C28H33N5O3S2/c1-32(24-13-16-33(19-24)18-21-6-4-3-5-7-21)38(34,35)29-15-12-26-27(22-8-10-25(36-2)11-9-22)31-28(30-26)23-14-17-37-20-23/h3-11,14,17,20,24,29H,12-13,15-16,18-19H2,1-2H3,(H,30,31)/t24-/m1/s1
SMILES: COc1ccc(-c2[nH]c(-c3ccsc3)nc2CCNS(=O)(=O)N(C)C2CCN(Cc3ccc(Cl)c(Cl)c3)C2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Branch1][#Branch1][C][NH1][C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][=N][C][=Ring1][#Branch2][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][C][N][Branch1][S][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring1][=C][C][=C][Ring2][Ring2][=Branch1]
InChI: InChI=1S/C28H31Cl2N5O3S2/c1-34(22-10-13-35(17-22)16-19-3-8-24(29)25(30)15-19)40(36,37)31-12-9-26-27(20-4-6-23(38-2)7-5-20)33-28(32-26)21-11-14-39-18-21/h3-8,11,14-15,18,22,31H,9-10,12-13,16-17H2,1-2H3,(H,32,33)
SMILES: COc1ccc(-c2[nH]c(-c3cccs3)nc2CCNS(=O)(=O)N(C)C2CCN(Cc3ccc(Cl)c(Cl)c3)C2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Branch1][#Branch1][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][Branch1][C][C][C][C][C][N][Branch1][S][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring1][=C][C][=C][Ring2][Ring2][=Branch1]
InChI: InChI=1S/C28H31Cl2N5O3S2/c1-34(21-12-14-35(18-21)17-19-5-10-23(29)24(30)16-19)40(36,37)31-13-11-25-27(20-6-8-22(38-2)9-7-20)33-28(32-25)26-4-3-15-39-26/h3-10,15-16,21,31H,11-14,17-18H2,1-2H3,(H,32,33)
SMILES: COc1ccc(-c2[nH]c(-c3cccs3)nc2CCNS(=O)(=O)N(C)[C@@H]2CCN(Cc3ccc(Cl)c(Cl)c3)C2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Branch1][#Branch1][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][Branch1][C][C][C@@H1][C][C][N][Branch1][S][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring1][=C][C][=C][Ring2][Ring2][=Branch1]
InChI: InChI=1S/C28H31Cl2N5O3S2/c1-34(21-12-14-35(18-21)17-19-5-10-23(29)24(30)16-19)40(36,37)31-13-11-25-27(20-6-8-22(38-2)9-7-20)33-28(32-25)26-4-3-15-39-26/h3-10,15-16,21,31H,11-14,17-18H2,1-2H3,(H,32,33)/t21-/m1/s1
SMILES: CCN([C@@H]1CCN(C(C)c2ccc(F)cc2)C1)S(=O)(=O)NCCc1nc(-c2cccs2)[nH]c1-c1ccc(OC)cc1
SELFIES: [C][C][N][Branch2][Ring1][=Branch2][C@@H1][C][C][N][Branch1][S][C][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=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]
InChI: InChI=1S/C30H36FN5O3S2/c1-4-36(25-16-18-35(20-25)21(2)22-7-11-24(31)12-8-22)41(37,38)32-17-15-27-29(23-9-13-26(39-3)14-10-23)34-30(33-27)28-6-5-19-40-28/h5-14,19,21,25,32H,4,15-18,20H2,1-3H3,(H,33,34)/t21?,25-/m1/s1
SMILES: CCN([C@@H]1CCN(C(C)(C)c2ccccc2)C1)S(=O)(=O)NCCc1nc(-c2cccs2)[nH]c1-c1ccc(OC)cc1
SELFIES: [C][C][N][Branch2][Ring1][=Branch2][C@@H1][C][C][N][Branch1][S][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=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]
InChI: InChI=1S/C31H39N5O3S2/c1-5-36(25-18-20-35(22-25)31(2,3)24-10-7-6-8-11-24)41(37,38)32-19-17-27-29(23-13-15-26(39-4)16-14-23)34-30(33-27)28-12-9-21-40-28/h6-16,21,25,32H,5,17-20,22H2,1-4H3,(H,33,34)/t25-/m1/s1
SMILES: CCN([C@@H]1CCN([C@@H](C)c2ccccc2)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@@H1][Branch1][C][C][C][=C][C][=C][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/C30H37N5O3S2/c1-4-35(25-17-19-34(21-25)22(2)23-9-6-5-7-10-23)40(36,37)31-18-16-27-29(24-12-14-26(38-3)15-13-24)33-30(32-27)28-11-8-20-39-28/h5-15,20,22,25,31H,4,16-19,21H2,1-3H3,(H,32,33)/t22-,25+/m0/s1
SMILES: CCN([C@@H]1CCN(c2ccc(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][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/C28H32FN5O3S2/c1-3-34(23-15-17-33(19-23)22-10-8-21(29)9-11-22)39(35,36)30-16-14-25-27(20-6-12-24(37-2)13-7-20)32-28(31-25)26-5-4-18-38-26/h4-13,18,23,30H,3,14-17,19H2,1-2H3,(H,31,32)/t23-/m1/s1
SMILES: CCCCc1ccc(NS(=O)(=O)NCCc2nc(-c3ccccc3)[nH]c2-c2ccc(OC)cc2)cc1
SELFIES: [C][C][C][C][C][=C][C][=C][Branch2][Ring2][=Branch2][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][Ring2][Ring1][S]
InChI: InChI=1S/C28H32N4O3S/c1-3-4-8-21-11-15-24(16-12-21)32-36(33,34)29-20-19-26-27(22-13-17-25(35-2)18-14-22)31-28(30-26)23-9-6-5-7-10-23/h5-7,9-18,29,32H,3-4,8,19-20H2,1-2H3,(H,30,31)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)NCc2ccccc2)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][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][#C]
InChI: InChI=1S/C25H26N4O3S/c1-32-22-14-12-20(13-15-22)24-23(28-25(29-24)21-10-6-3-7-11-21)16-17-26-33(30,31)27-18-19-8-4-2-5-9-19/h2-15,26-27H,16-18H2,1H3,(H,28,29)
SMILES: CCCCNS(=O)(=O)NCCc1nc(-c2ccccc2)[nH]c1-c1ccc(OC)cc1
SELFIES: [C][C][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]
InChI: InChI=1S/C22H28N4O3S/c1-3-4-15-23-30(27,28)24-16-14-20-21(17-10-12-19(29-2)13-11-17)26-22(25-20)18-8-6-5-7-9-18/h5-13,23-24H,3-4,14-16H2,1-2H3,(H,25,26)
SMILES: CCCCCCNS(=O)(=O)NCCc1nc(-c2ccccc2)[nH]c1-c1ccc(OC)cc1
SELFIES: [C][C][C][C][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]
InChI: InChI=1S/C24H32N4O3S/c1-3-4-5-9-17-25-32(29,30)26-18-16-22-23(19-12-14-21(31-2)15-13-19)28-24(27-22)20-10-7-6-8-11-20/h6-8,10-15,25-26H,3-5,9,16-18H2,1-2H3,(H,27,28)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)NCCc2ccccc2)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][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][S]
InChI: InChI=1S/C26H28N4O3S/c1-33-23-14-12-21(13-15-23)25-24(29-26(30-25)22-10-6-3-7-11-22)17-19-28-34(31,32)27-18-16-20-8-4-2-5-9-20/h2-15,27-28H,16-19H2,1H3,(H,29,30)
SMILES: CCCc1ccc(NS(=O)(=O)NCCc2nc(-c3ccccc3)[nH]c2-c2ccc(OC)cc2)cc1
SELFIES: [C][C][C][C][=C][C][=C][Branch2][Ring2][=Branch2][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][Ring2][Ring1][S]
InChI: InChI=1S/C27H30N4O3S/c1-3-7-20-10-14-23(15-11-20)31-35(32,33)28-19-18-25-26(21-12-16-24(34-2)17-13-21)30-27(29-25)22-8-5-4-6-9-22/h4-6,8-17,28,31H,3,7,18-19H2,1-2H3,(H,29,30)
SMILES: COc1ccc(CNS(=O)(=O)NCCc2nc(-c3ccccc3)[nH]c2-c2ccc(OC)cc2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring2][#Branch2][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][Ring2][Ring1][P]
InChI: InChI=1S/C26H28N4O4S/c1-33-22-12-8-19(9-13-22)18-28-35(31,32)27-17-16-24-25(20-10-14-23(34-2)15-11-20)30-26(29-24)21-6-4-3-5-7-21/h3-15,27-28H,16-18H2,1-2H3,(H,29,30)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)NCc2ccc(C(F)(F)F)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][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring2][Ring1]
InChI: InChI=1S/C26H25F3N4O3S/c1-36-22-13-9-19(10-14-22)24-23(32-25(33-24)20-5-3-2-4-6-20)15-16-30-37(34,35)31-17-18-7-11-21(12-8-18)26(27,28)29/h2-14,30-31H,15-17H2,1H3,(H,32,33)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)NCc2ccc(Cl)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][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][S]
InChI: InChI=1S/C25H25ClN4O3S/c1-33-22-13-9-19(10-14-22)24-23(29-25(30-24)20-5-3-2-4-6-20)15-16-27-34(31,32)28-17-18-7-11-21(26)12-8-18/h2-14,27-28H,15-17H2,1H3,(H,29,30)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)NCc2ccc(C)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][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][S]
InChI: InChI=1S/C26H28N4O3S/c1-19-8-10-20(11-9-19)18-28-34(31,32)27-17-16-24-25(21-12-14-23(33-2)15-13-21)30-26(29-24)22-6-4-3-5-7-22/h3-15,27-28H,16-18H2,1-2H3,(H,29,30)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)Nc2ccccc2)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][Ring1][=Branch1][C][=C][Ring2][Ring1][=C]
InChI: InChI=1S/C24H24N4O3S/c1-31-21-14-12-18(13-15-21)23-22(26-24(27-23)19-8-4-2-5-9-19)16-17-25-32(29,30)28-20-10-6-3-7-11-20/h2-15,25,28H,16-17H2,1H3,(H,26,27)
SMILES: CCc1ccc(NS(=O)(=O)NCCc2nc(-c3ccccc3)[nH]c2-c2ccc(OC)cc2)cc1
SELFIES: [C][C][C][=C][C][=C][Branch2][Ring2][=Branch2][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][Ring2][Ring1][S]
InChI: InChI=1S/C26H28N4O3S/c1-3-19-9-13-22(14-10-19)30-34(31,32)27-18-17-24-25(20-11-15-23(33-2)16-12-20)29-26(28-24)21-7-5-4-6-8-21/h4-16,27,30H,3,17-18H2,1-2H3,(H,28,29)
SMILES: CCCCCc1ccc(NS(=O)(=O)NCCc2nc(-c3ccccc3)[nH]c2-c2ccc(OC)cc2)cc1
SELFIES: [C][C][C][C][C][C][=C][C][=C][Branch2][Ring2][=Branch2][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][Ring2][Ring1][S]
InChI: InChI=1S/C29H34N4O3S/c1-3-4-6-9-22-12-16-25(17-13-22)33-37(34,35)30-21-20-27-28(23-14-18-26(36-2)19-15-23)32-29(31-27)24-10-7-5-8-11-24/h5,7-8,10-19,30,33H,3-4,6,9,20-21H2,1-2H3,(H,31,32)
SMILES: CCCN1CCN(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/C25H33N5O3S/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/h4-12,26H,3,13-19H2,1-2H3,(H,27,28)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)N[C@H](C)c2ccccc2)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@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][S]
InChI: InChI=1S/C26H28N4O3S/c1-19(20-9-5-3-6-10-20)30-34(31,32)27-18-17-24-25(21-13-15-23(33-2)16-14-21)29-26(28-24)22-11-7-4-8-12-22/h3-16,19,27,30H,17-18H2,1-2H3,(H,28,29)/t19-/m1/s1
SMILES: CCCCN1CCN(S(=O)(=O)NCCc2nc(-c3ccccc3)[nH]c2-c2ccc(OC)cc2)CC1
SELFIES: [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/C26H35N5O3S/c1-3-4-16-30-17-19-31(20-18-30)35(32,33)27-15-14-24-25(21-10-12-23(34-2)13-11-21)29-26(28-24)22-8-6-5-7-9-22/h5-13,27H,3-4,14-20H2,1-2H3,(H,28,29)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)N2CCN(CCN3CCOCC3)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][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][=C][C][=C][Ring2][Ring2][Branch1]
InChI: InChI=1S/C28H38N6O4S/c1-37-25-9-7-23(8-10-25)27-26(30-28(31-27)24-5-3-2-4-6-24)11-12-29-39(35,36)34-17-15-32(16-18-34)13-14-33-19-21-38-22-20-33/h2-10,29H,11-22H2,1H3,(H,30,31)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)N[C@H](C)c2ccc(C)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@H1][Branch1][C][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][P]
InChI: InChI=1S/C27H30N4O3S/c1-19-9-11-21(12-10-19)20(2)31-35(32,33)28-18-17-25-26(22-13-15-24(34-3)16-14-22)30-27(29-25)23-7-5-4-6-8-23/h4-16,20,28,31H,17-18H2,1-3H3,(H,29,30)/t20-/m1/s1
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)N[C@@H](C)c2ccc(C)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@@H1][Branch1][C][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][P]
InChI: InChI=1S/C27H30N4O3S/c1-19-9-11-21(12-10-19)20(2)31-35(32,33)28-18-17-25-26(22-13-15-24(34-3)16-14-22)30-27(29-25)23-7-5-4-6-8-23/h4-16,20,28,31H,17-18H2,1-3H3,(H,29,30)/t20-/m0/s1
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)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][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][Cl][C][C][Ring1][=N][C][=C][Ring2][Ring2][Ring2]
InChI: InChI=1S/C28H30ClN5O3S/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(c3ccccc3OC)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][Ring1][=Branch1][O][C][C][C][Ring1][=C][C][=C][Ring2][Ring2][Branch1]
InChI: InChI=1S/C29H33N5O4S/c1-37-24-14-12-22(13-15-24)28-25(31-29(32-28)23-8-4-3-5-9-23)16-17-30-39(35,36)34-20-18-33(19-21-34)26-10-6-7-11-27(26)38-2/h3-15,30H,16-21H2,1-2H3,(H,31,32)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)N2CCN(c3ccccc3)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][Ring1][N][C][=C][Ring2][Ring2][Ring1]
InChI: InChI=1S/C28H31N5O3S/c1-36-25-14-12-22(13-15-25)27-26(30-28(31-27)23-8-4-2-5-9-23)16-17-29-37(34,35)33-20-18-32(19-21-33)24-10-6-3-7-11-24/h2-15,29H,16-21H2,1H3,(H,30,31)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)N2CCN(c3ccc(Cl)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][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring2][Ring2]
InChI: InChI=1S/C28H30ClN5O3S/c1-37-25-13-7-21(8-14-25)27-26(31-28(32-27)22-5-3-2-4-6-22)15-16-30-38(35,36)34-19-17-33(18-20-34)24-11-9-23(29)10-12-24/h2-14,30H,15-20H2,1H3,(H,31,32)
SMILES: COc1ccc(-c2nc(-c3ccccc3)[nH]c2CCNS(=O)(=O)NCCN2CCCC2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][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][C][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][#C]
InChI: InChI=1S/C24H31N5O3S/c1-32-21-11-9-19(10-12-21)23-22(27-24(28-23)20-7-3-2-4-8-20)13-14-25-33(30,31)26-15-18-29-16-5-6-17-29/h2-4,7-12,25-26H,5-6,13-18H2,1H3,(H,27,28)
SMILES: COc1ccc(-c2nc(-c3ccccc3)[nH]c2CCNS(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Branch1][=Branch1][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][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][Ring1][S][C][=C][Ring2][Ring2][#Branch1]
InChI: InChI=1S/C30H33N5O5S/c1-38-25-10-8-23(9-11-25)29-26(32-30(33-29)24-5-3-2-4-6-24)13-14-31-41(36,37)35-17-15-34(16-18-35)20-22-7-12-27-28(19-22)40-21-39-27/h2-12,19,31H,13-18,20-21H2,1H3,(H,32,33)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)N2CCN(c3ccc(F)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][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring2][Ring2]
InChI: InChI=1S/C28H30FN5O3S/c1-37-25-13-7-21(8-14-25)27-26(31-28(32-27)22-5-3-2-4-6-22)15-16-30-38(35,36)34-19-17-33(18-20-34)24-11-9-23(29)10-12-24/h2-14,30H,15-20H2,1H3,(H,31,32)