EdisonScientific/glyph-datasets huggingface dataset:
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)N2CCN(Cc3ccc(Cl)cc3)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][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][=C][C][=C][Ring2][Ring2][Branch1]
InChI: InChI=1S/C29H32ClN5O3S/c1-38-26-13-9-23(10-14-26)28-27(32-29(33-28)24-5-3-2-4-6-24)15-16-31-39(36,37)35-19-17-34(18-20-35)21-22-7-11-25(30)12-8-22/h2-14,31H,15-21H2,1H3,(H,32,33)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)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][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][N][C][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring2][#Branch1]
InChI: InChI=1S/C29H30F3N5O3S/c1-40-23-12-9-20(10-13-23)27-24(34-28(35-27)21-7-3-2-4-8-21)15-16-33-41(38,39)36-25-19-22(29(30,31)32)11-14-26(25)37-17-5-6-18-37/h2-4,7-14,19,33,36H,5-6,15-18H2,1H3,(H,34,35)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)N2CCN(c3cccc(C)c3)C(C)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][C][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][Branch1][C][C][C][Ring1][=C][C][=C][Ring2][Ring2][Branch1]
InChI: InChI=1S/C30H35N5O3S/c1-22-8-7-11-26(20-22)35-19-18-34(21-23(35)2)39(36,37)31-17-16-28-29(24-12-14-27(38-3)15-13-24)33-30(32-28)25-9-5-4-6-10-25/h4-15,20,23,31H,16-19,21H2,1-3H3,(H,32,33)
SMILES: CCCCN(CC)CCNS(=O)(=O)NCCc1nc(-c2ccccc2)[nH]c1-c1ccc(OC)cc1
SELFIES: [C][C][C][C][N][Branch1][Ring1][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/C26H37N5O3S/c1-4-6-19-31(5-2)20-18-28-35(32,33)27-17-16-24-25(21-12-14-23(34-3)15-13-21)30-26(29-24)22-10-8-7-9-11-22/h7-15,27-28H,4-6,16-20H2,1-3H3,(H,29,30)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)NCCCCCCN(C)C)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][C][N][Branch1][C][C][C][C][=C][Ring2][Ring1][P]
InChI: InChI=1S/C26H37N5O3S/c1-31(2)20-10-5-4-9-18-27-35(32,33)28-19-17-24-25(21-13-15-23(34-3)16-14-21)30-26(29-24)22-11-7-6-8-12-22/h6-8,11-16,27-28H,4-5,9-10,17-20H2,1-3H3,(H,29,30)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)Nc2ccc(N3CCCCC3)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][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][N][C][=C][Ring2][Ring2][Ring2]
InChI: InChI=1S/C29H33N5O3S/c1-37-26-16-10-22(11-17-26)28-27(31-29(32-28)23-8-4-2-5-9-23)18-19-30-38(35,36)33-24-12-14-25(15-13-24)34-20-6-3-7-21-34/h2,4-5,8-17,30,33H,3,6-7,18-21H2,1H3,(H,31,32)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])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][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N+1][=Branch1][C][=O][O-1][C][C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring2][#Branch2]
InChI: InChI=1S/C29H29F3N6O5S/c1-43-23-10-7-20(8-11-23)27-24(34-28(35-27)21-5-3-2-4-6-21)13-14-33-44(41,42)37-17-15-36(16-18-37)25-12-9-22(29(30,31)32)19-26(25)38(39)40/h2-12,19,33H,13-18H2,1H3,(H,34,35)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)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][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][Ring1][N][C][=C][Ring2][Ring2][Ring2]
InChI: InChI=1S/C29H33N5O3S/c1-37-26-14-12-23(13-15-26)28-27(31-29(32-28)24-10-6-3-7-11-24)16-18-30-38(35,36)33-25-17-19-34(21-25)20-22-8-4-2-5-9-22/h2-15,25,30,33H,16-21H2,1H3,(H,31,32)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)N(Cc2ccccc2)C2CCN(Cc3ccccc3)C2)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][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][C][=C][Ring2][Ring2][O]
InChI: InChI=1S/C36H39N5O3S/c1-44-33-19-17-30(18-20-33)35-34(38-36(39-35)31-15-9-4-10-16-31)21-23-37-45(42,43)41(26-29-13-7-3-8-14-29)32-22-24-40(27-32)25-28-11-5-2-6-12-28/h2-20,32,37H,21-27H2,1H3,(H,38,39)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)Nc2ccc(/C=C/c3ccc(N(C)C)cc3)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][C][=C][Branch2][Ring1][C][/C][=C][/C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][=C][Ring1][P][C][=C][Ring2][Ring2][=Branch2]
InChI: InChI=1S/C34H35N5O3S/c1-39(2)30-19-13-26(14-20-30)10-9-25-11-17-29(18-12-25)38-43(40,41)35-24-23-32-33(27-15-21-31(42-3)22-16-27)37-34(36-32)28-7-5-4-6-8-28/h4-22,35,38H,23-24H2,1-3H3,(H,36,37)/b10-9+
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)N2CCN(C/C=C/c3ccccc3)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][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C][C][=C][Ring2][Ring2][=Branch1]
InChI: InChI=1S/C31H35N5O3S/c1-39-28-16-14-26(15-17-28)30-29(33-31(34-30)27-12-6-3-7-13-27)18-19-32-40(37,38)36-23-21-35(22-24-36)20-8-11-25-9-4-2-5-10-25/h2-17,32H,18-24H2,1H3,(H,33,34)/b11-8+
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)N2CCN(c3ccc(C)cc3)C(C)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][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Branch1][C][C][C][Ring1][=C][C][=C][Ring2][Ring2][Branch1]
InChI: InChI=1S/C30H35N5O3S/c1-22-9-13-26(14-10-22)35-20-19-34(21-23(35)2)39(36,37)31-18-17-28-29(24-11-15-27(38-3)16-12-24)33-30(32-28)25-7-5-4-6-8-25/h4-16,23,31H,17-21H2,1-3H3,(H,32,33)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)N2CCN(Cc3ccc(C(C)(C)C)cc3)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][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][C][Ring1][P][C][=C][Ring2][Ring2][Branch2]
InChI: InChI=1S/C33H41N5O3S/c1-33(2,3)28-14-10-25(11-15-28)24-37-20-22-38(23-21-37)42(39,40)34-19-18-30-31(26-12-16-29(41-4)17-13-26)36-32(35-30)27-8-6-5-7-9-27/h5-17,34H,18-24H2,1-4H3,(H,35,36)
SMILES: CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)NCCc1nc(-c2ccccc2)[nH]c1-c1ccc(OC)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][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/C31H39N5O3S/c1-4-35(5-2)22-23-36(24-25-12-8-6-9-13-25)40(37,38)32-21-20-29-30(26-16-18-28(39-3)19-17-26)34-31(33-29)27-14-10-7-11-15-27/h6-19,32H,4-5,20-24H2,1-3H3,(H,33,34)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)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][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][Branch1]
InChI: InChI=1S/C30H35N5O3S/c1-34(26-18-20-35(22-26)21-23-9-5-3-6-10-23)39(36,37)31-19-17-28-29(24-13-15-27(38-2)16-14-24)33-30(32-28)25-11-7-4-8-12-25/h3-16,26,31H,17-22H2,1-2H3,(H,32,33)/t26-/m1/s1
SMILES: CCN(C1CCN(Cc2ccccc2)C1)S(=O)(=O)NCCc1nc(-c2ccccc2)[nH]c1-c1ccc(OC)cc1
SELFIES: [C][C][N][Branch2][Ring1][Ring1][C][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][C][=C][Ring1][=Branch1][NH1][C][=Ring1][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2]
InChI: InChI=1S/C31H37N5O3S/c1-3-36(27-19-21-35(23-27)22-24-10-6-4-7-11-24)40(37,38)32-20-18-29-30(25-14-16-28(39-2)17-15-25)34-31(33-29)26-12-8-5-9-13-26/h4-17,27,32H,3,18-23H2,1-2H3,(H,33,34)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)N[C@@H]2CCN(Cc3ccccc3)C2)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@@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/C29H33N5O3S/c1-37-26-14-12-23(13-15-26)28-27(31-29(32-28)24-10-6-3-7-11-24)16-18-30-38(35,36)33-25-17-19-34(21-25)20-22-8-4-2-5-9-22/h2-15,25,30,33H,16-21H2,1H3,(H,31,32)/t25-/m1/s1
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)N[C@H]2CCN(Cc3ccccc3)C2)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@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/C29H33N5O3S/c1-37-26-14-12-23(13-15-26)28-27(31-29(32-28)24-10-6-3-7-11-24)16-18-30-38(35,36)33-25-17-19-34(21-25)20-22-8-4-2-5-9-22/h2-15,25,30,33H,16-21H2,1H3,(H,31,32)/t25-/m0/s1
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)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][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][Branch1]
InChI: InChI=1S/C30H35N5O3S/c1-34(26-18-20-35(22-26)21-23-9-5-3-6-10-23)39(36,37)31-19-17-28-29(24-13-15-27(38-2)16-14-24)33-30(32-28)25-11-7-4-8-12-25/h3-16,26,31H,17-22H2,1-2H3,(H,32,33)/t26-/m0/s1
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)N(C)C2CCN(Cc3ccccc3)C2)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][Branch1][C][C][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][C][=C][Ring2][Ring2][Branch1]
InChI: InChI=1S/C30H35N5O3S/c1-34(26-18-20-35(22-26)21-23-9-5-3-6-10-23)39(36,37)31-19-17-28-29(24-13-15-27(38-2)16-14-24)33-30(32-28)25-11-7-4-8-12-25/h3-16,26,31H,17-22H2,1-2H3,(H,32,33)
SMILES: CCN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)NCCc1nc(-c2ccccc2)[nH]c1-c1ccc(OC)cc1
SELFIES: [C][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][C][=C][Ring1][=Branch1][NH1][C][=Ring1][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2]
InChI: InChI=1S/C31H37N5O3S/c1-3-36(27-19-21-35(23-27)22-24-10-6-4-7-11-24)40(37,38)32-20-18-29-30(25-14-16-28(39-2)17-15-25)34-31(33-29)26-12-8-5-9-13-26/h4-17,27,32H,3,18-23H2,1-2H3,(H,33,34)/t27-/m1/s1
SMILES: CCN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)NCCc1nc(-c2ccccc2)[nH]c1-c1ccc(OC)cc1
SELFIES: [C][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][C][=C][Ring1][=Branch1][NH1][C][=Ring1][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2]
InChI: InChI=1S/C31H37N5O3S/c1-3-36(27-19-21-35(23-27)22-24-10-6-4-7-11-24)40(37,38)32-20-18-29-30(25-14-16-28(39-2)17-15-25)34-31(33-29)26-12-8-5-9-13-26/h4-17,27,32H,3,18-23H2,1-2H3,(H,33,34)/t27-/m0/s1
SMILES: CCCCCN1CCN(S(=O)(=O)NCCc2nc(-c3ccccc3)[nH]c2-c2ccc(C(F)(F)F)cc2)CC1
SELFIES: [C][C][C][C][C][N][C][C][N][Branch2][Ring2][=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][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][C][Ring2][Ring1][P]
InChI: InChI=1S/C27H34F3N5O2S/c1-2-3-7-16-34-17-19-35(20-18-34)38(36,37)31-15-14-24-25(21-10-12-23(13-11-21)27(28,29)30)33-26(32-24)22-8-5-4-6-9-22/h4-6,8-13,31H,2-3,7,14-20H2,1H3,(H,32,33)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)N2CC3CC2CN3Cc2ccccc2)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][Ring1][Branch1][C][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring2][Branch1]
InChI: InChI=1S/C30H33N5O3S/c1-38-27-14-12-23(13-15-27)29-28(32-30(33-29)24-10-6-3-7-11-24)16-17-31-39(36,37)35-21-25-18-26(35)20-34(25)19-22-8-4-2-5-9-22/h2-15,25-26,31H,16-21H2,1H3,(H,32,33)
SMILES: CCCCN1CCN(S(=O)(=O)NCCc2nc(-c3ccccc3)[nH]c2-c2ccc(C(F)(F)F)cc2)CC1
SELFIES: [C][C][C][C][N][C][C][N][Branch2][Ring2][=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][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][C][Ring2][Ring1][P]
InChI: InChI=1S/C26H32F3N5O2S/c1-2-3-15-33-16-18-34(19-17-33)37(35,36)30-14-13-23-24(20-9-11-22(12-10-20)26(27,28)29)32-25(31-23)21-7-5-4-6-8-21/h4-12,30H,2-3,13-19H2,1H3,(H,31,32)
SMILES: CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)NCCc1nc(-c2ccccc2)[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][C][=C][Ring1][=Branch1][NH1][C][=Ring1][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2]
InChI: InChI=1S/C30H32F3N5O2S/c1-37(26-17-19-38(21-26)20-22-8-4-2-5-9-22)41(39,40)34-18-16-27-28(23-12-14-25(15-13-23)30(31,32)33)36-29(35-27)24-10-6-3-7-11-24/h2-15,26,34H,16-21H2,1H3,(H,35,36)/t26-/m1/s1
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)N(C)C2CCN(Cc3ccc(Cl)c(Cl)c3)C2)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][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/C30H33Cl2N5O3S/c1-36(24-15-17-37(20-24)19-21-8-13-26(31)27(32)18-21)41(38,39)33-16-14-28-29(22-9-11-25(40-2)12-10-22)35-30(34-28)23-6-4-3-5-7-23/h3-13,18,24,33H,14-17,19-20H2,1-2H3,(H,34,35)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)N(C)[C@@H]2CCN(Cc3ccc(Cl)c(Cl)c3)C2)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][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/C30H33Cl2N5O3S/c1-36(24-15-17-37(20-24)19-21-8-13-26(31)27(32)18-21)41(38,39)33-16-14-28-29(22-9-11-25(40-2)12-10-22)35-30(34-28)23-6-4-3-5-7-23/h3-13,18,24,33H,14-17,19-20H2,1-2H3,(H,34,35)/t24-/m1/s1
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCN=[N+]=[N-])cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][C][N][=N+1][=N-1][C][=C][Ring2][Ring1][=Branch1]
InChI: InChI=1S/C18H17N5O/c1-24-15-9-7-13(8-10-15)17-16(11-12-20-23-19)21-18(22-17)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,21,22)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCN)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][C][N][C][=C][Ring2][Ring1][Ring2]
InChI: InChI=1S/C18H19N3O/c1-22-15-9-7-13(8-10-15)17-16(11-12-19)20-18(21-17)14-5-3-2-4-6-14/h2-10H,11-12,19H2,1H3,(H,20,21)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)NC(=O)OCCc2ccccc2)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][=Branch1][C][=O][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring2][Ring1]
InChI: InChI=1S/C27H28N4O5S/c1-35-23-14-12-21(13-15-23)25-24(29-26(30-25)22-10-6-3-7-11-22)16-18-28-37(33,34)31-27(32)36-19-17-20-8-4-2-5-9-20/h2-15,28H,16-19H2,1H3,(H,29,30)(H,31,32)
SMILES: CCCCCCOC(=O)NS(=O)(=O)NCCc1nc(-c2ccccc2)[nH]c1-c1ccc(OC)cc1
SELFIES: [C][C][C][C][C][C][O][C][=Branch1][C][=O][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/C25H32N4O5S/c1-3-4-5-9-18-34-25(30)29-35(31,32)26-17-16-22-23(19-12-14-21(33-2)15-13-19)28-24(27-22)20-10-7-6-8-11-20/h6-8,10-15,26H,3-5,9,16-18H2,1-2H3,(H,27,28)(H,29,30)
SMILES: CCOC(=O)NS(=O)(=O)NCCc1nc(-c2ccccc2)[nH]c1-c1ccc(OC)cc1
SELFIES: [C][C][O][C][=Branch1][C][=O][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/C21H24N4O5S/c1-3-30-21(26)25-31(27,28)22-14-13-18-19(15-9-11-17(29-2)12-10-15)24-20(23-18)16-7-5-4-6-8-16/h4-12,22H,3,13-14H2,1-2H3,(H,23,24)(H,25,26)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCNS(=O)(=O)NC(=O)OC(C)(C)C)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][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][#C]
InChI: InChI=1S/C23H28N4O5S/c1-23(2,3)32-22(28)27-33(29,30)24-15-14-19-20(16-10-12-18(31-4)13-11-16)26-21(25-19)17-8-6-5-7-9-17/h5-13,24H,14-15H2,1-4H3,(H,25,26)(H,27,28)
SMILES: CCCCCc1ccc(OC(=O)NS(=O)(=O)NCCc2nc(-c3ccccc3)[nH]c2-c2ccc(OC)cc2)cc1
SELFIES: [C][C][C][C][C][C][=C][C][=C][Branch2][Ring2][=C][O][C][=Branch1][C][=O][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][Ring2][Ring1]
InChI: InChI=1S/C30H34N4O5S/c1-3-4-6-9-22-12-16-26(17-13-22)39-30(35)34-40(36,37)31-21-20-27-28(23-14-18-25(38-2)19-15-23)33-29(32-27)24-10-7-5-8-11-24/h5,7-8,10-19,31H,3-4,6,9,20-21H2,1-2H3,(H,32,33)(H,34,35)
SMILES: CCCCCc1ccc(S(=O)(=O)NCCc2nc(-c3cccs3)[nH]c2-c2ccc(OC)cc2)cc1
SELFIES: [C][C][C][C][C][C][=C][C][=C][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/C27H31N3O3S2/c1-3-4-5-7-20-9-15-23(16-10-20)35(31,32)28-18-17-24-26(21-11-13-22(33-2)14-12-21)30-27(29-24)25-8-6-19-34-25/h6,8-16,19,28H,3-5,7,17-18H2,1-2H3,(H,29,30)
SMILES: CCCCCc1ccc(S(=O)(=O)NCCc2nc(-c3ccccc3)[nH]c2-c2ccc(OC)cc2)cc1
SELFIES: [C][C][C][C][C][C][=C][C][=C][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/C29H33N3O3S/c1-3-4-6-9-22-12-18-26(19-13-22)36(33,34)30-21-20-27-28(23-14-16-25(35-2)17-15-23)32-29(31-27)24-10-7-5-8-11-24/h5,7-8,10-19,30H,3-4,6,9,20-21H2,1-2H3,(H,31,32)
SMILES: CCCCCc1ccc(S(=O)(=O)NCCc2nc(-c3ccc(OC)cc3)[nH]c2-c2ccc(OC)cc2)cc1
SELFIES: [C][C][C][C][C][C][=C][C][=C][Branch2][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][NH1][C][=Ring1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][P]
InChI: InChI=1S/C30H35N3O4S/c1-4-5-6-7-22-8-18-27(19-9-22)38(34,35)31-21-20-28-29(23-10-14-25(36-2)15-11-23)33-30(32-28)24-12-16-26(37-3)17-13-24/h8-19,31H,4-7,20-21H2,1-3H3,(H,32,33)
SMILES: COc1ccc(-c2nc(CCNS(=O)(=O)c3ccc(C)cc3)c(-c3ccc(OC)cc3)[nH]2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring2][#C][C][=N][C][Branch2][Ring1][=Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][NH1][Ring2][Ring1][#Branch2][C][=C][Ring2][Ring1][S]
InChI: InChI=1S/C26H27N3O4S/c1-18-4-14-23(15-5-18)34(30,31)27-17-16-24-25(19-6-10-21(32-2)11-7-19)29-26(28-24)20-8-12-22(33-3)13-9-20/h4-15,27H,16-17H2,1-3H3,(H,28,29)
SMILES: CCCCCc1ccc(S(=O)(=O)NCCc2nc(-c3ccc(C)cc3)[nH]c2-c2ccc(OC)cc2)cc1
SELFIES: [C][C][C][C][C][C][=C][C][=C][Branch2][Ring2][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][NH1][C][=Ring1][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][S]
InChI: InChI=1S/C30H35N3O3S/c1-4-5-6-7-23-10-18-27(19-11-23)37(34,35)31-21-20-28-29(24-14-16-26(36-3)17-15-24)33-30(32-28)25-12-8-22(2)9-13-25/h8-19,31H,4-7,20-21H2,1-3H3,(H,32,33)
SMILES: CCCCCc1ccc(S(=O)(=O)NCCc2nc(-c3ccc(Cl)cc3)[nH]c2-c2ccc(OC)cc2)cc1
SELFIES: [C][C][C][C][C][C][=C][C][=C][Branch2][Ring2][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][NH1][C][=Ring1][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][S]
InChI: InChI=1S/C29H32ClN3O3S/c1-3-4-5-6-21-7-17-26(18-8-21)37(34,35)31-20-19-27-28(22-11-15-25(36-2)16-12-22)33-29(32-27)23-9-13-24(30)14-10-23/h7-18,31H,3-6,19-20H2,1-2H3,(H,32,33)
SMILES: CCCCCc1ccc(S(=O)(=O)NCCc2nc(-c3cccc([N+](=O)[O-])c3)[nH]c2-c2ccc(OC)cc2)cc1
SELFIES: [C][C][C][C][C][C][=C][C][=C][Branch2][Ring2][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][=C][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][NH1][C][=Ring1][=C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring2][C]
InChI: InChI=1S/C29H32N4O5S/c1-3-4-5-7-21-10-16-26(17-11-21)39(36,37)30-19-18-27-28(22-12-14-25(38-2)15-13-22)32-29(31-27)23-8-6-9-24(20-23)33(34)35/h6,8-17,20,30H,3-5,7,18-19H2,1-2H3,(H,31,32)
SMILES: CCCCCc1ccc(S(=O)(=O)NCCc2nc(-c3csc(C)n3)[nH]c2-c2ccc(OC)cc2)cc1
SELFIES: [C][C][C][C][C][C][=C][C][=C][Branch2][Ring2][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][=C][Branch1][O][C][=C][S][C][Branch1][C][C][=N][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/C27H32N4O3S2/c1-4-5-6-7-20-8-14-23(15-9-20)36(32,33)28-17-16-24-26(21-10-12-22(34-3)13-11-21)31-27(30-24)25-18-35-19(2)29-25/h8-15,18,28H,4-7,16-17H2,1-3H3,(H,30,31)