EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCC(CC)N(C)C)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][Ring2][C][=C][C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][Ring1][C][C][N][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][C][O][C][C][=N][N][Ring2][Ring1][S][Ring2][Ring1][N]
InChI: InChI=1S/C24H36N6O4S/c1-7-10-21-26-16(4)22-24(31)27-23(28-30(21)22)19-15-18(11-12-20(19)34-9-3)35(32,33)25-14-13-17(8-2)29(5)6/h11-12,15,17,25H,7-10,13-14H2,1-6H3,(H,27,28,31)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCCN(C)Cc4ccccc4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][Branch2][C][=C][C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][=Branch1][O][C][C][=N][N][Ring2][Ring2][Ring2][Ring2][Ring1][S]
InChI: InChI=1S/C28H36N6O4S/c1-5-11-25-30-20(3)26-28(35)31-27(32-34(25)26)23-18-22(14-15-24(23)38-6-2)39(36,37)29-16-10-17-33(4)19-21-12-8-7-9-13-21/h7-9,12-15,18,29H,5-6,10-11,16-17,19H2,1-4H3,(H,31,32,35)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCN(C)CCO)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring1][S][C][=C][C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][C][O][=C][C][=C][Ring1][P][O][C][C][=N][N][Ring2][Ring1][#C][Ring2][Ring1][O]
InChI: InChI=1S/C22H32N6O5S/c1-5-7-19-24-15(3)20-22(30)25-21(26-28(19)20)17-14-16(8-9-18(17)33-6-2)34(31,32)23-10-11-27(4)12-13-29/h8-9,14,23,29H,5-7,10-13H2,1-4H3,(H,25,26,30)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCCN4CCN(c5ccccc5)CC4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][=N][C][=C][C][Branch2][Ring1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][=C][C][=C][Ring2][Ring1][=Branch2][O][C][C][=N][N][Ring2][Ring2][#Branch1][Ring2][Ring2][Ring1]
InChI: InChI=1S/C30H39N7O4S/c1-4-10-27-32-22(3)28-30(38)33-29(34-37(27)28)25-21-24(13-14-26(25)41-5-2)42(39,40)31-15-9-16-35-17-19-36(20-18-35)23-11-7-6-8-12-23/h6-8,11-14,21,31H,4-5,9-10,15-20H2,1-3H3,(H,33,34,38)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCC(C)(C)CN(C)C)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][=Branch1][C][=C][C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][C][O][C][C][=N][N][Ring2][Ring1][S][Ring2][Ring1][N]
InChI: InChI=1S/C24H36N6O4S/c1-8-10-20-26-16(3)21-23(31)27-22(28-30(20)21)18-13-17(11-12-19(18)34-9-2)35(32,33)25-14-24(4,5)15-29(6)7/h11-13,25H,8-10,14-15H2,1-7H3,(H,27,28,31)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4cccc(CN5CCSCC5)c4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][O][C][=C][C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#Branch2][C][N][C][C][S][C][C][Ring1][=Branch1][=C][Ring1][=N][=C][C][=C][Ring2][Ring1][#Branch1][O][C][C][=N][N][Ring2][Ring2][Branch1][Ring2][Ring1][P]
InChI: InChI=1S/C28H34N6O4S2/c1-4-7-25-29-19(3)26-28(35)30-27(31-34(25)26)23-17-22(10-11-24(23)38-5-2)40(36,37)32-21-9-6-8-20(16-21)18-33-12-14-39-15-13-33/h6,8-11,16-17,32H,4-5,7,12-15,18H2,1-3H3,(H,30,31,35)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4cccc(CN5CCOCC5)c4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][O][C][=C][C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][=N][=C][C][=C][Ring2][Ring1][#Branch1][O][C][C][=N][N][Ring2][Ring2][Branch1][Ring2][Ring1][P]
InChI: InChI=1S/C28H34N6O5S/c1-4-7-25-29-19(3)26-28(35)30-27(31-34(25)26)23-17-22(10-11-24(23)39-5-2)40(36,37)32-21-9-6-8-20(16-21)18-33-12-14-38-15-13-33/h6,8-11,16-17,32H,4-5,7,12-15,18H2,1-3H3,(H,30,31,35)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4cccc(CN5CCN(C)CC5)c4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][=C][C][=C][C][Branch2][Ring1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=N][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][Ring1][=C][=C][C][=C][Ring2][Ring1][Branch2][O][C][C][=N][N][Ring2][Ring2][=Branch1][Ring2][Ring2][C]
InChI: InChI=1S/C29H37N7O4S/c1-5-8-26-30-20(3)27-29(37)31-28(32-36(26)27)24-18-23(11-12-25(24)40-6-2)41(38,39)33-22-10-7-9-21(17-22)19-35-15-13-34(4)14-16-35/h7,9-12,17-18,33H,5-6,8,13-16,19H2,1-4H3,(H,31,32,37)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4ccc(Cn5cncn5)cc4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][#Branch2][C][=C][C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][Ring1][N][=C][C][=C][Ring2][Ring1][=Branch1][O][C][C][=N][N][Ring2][Ring2][Ring2][Ring2][Ring1][S]
InChI: InChI=1S/C26H28N8O4S/c1-4-6-23-29-17(3)24-26(35)30-25(31-34(23)24)21-13-20(11-12-22(21)38-5-2)39(36,37)32-19-9-7-18(8-10-19)14-33-16-27-15-28-33/h7-13,15-16,32H,4-6,14H2,1-3H3,(H,30,31,35)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4cccc(Cn5cncn5)c4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][#Branch2][C][=C][C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][=C][Ring1][N][=C][C][=C][Ring2][Ring1][=Branch1][O][C][C][=N][N][Ring2][Ring2][Ring2][Ring2][Ring1][S]
InChI: InChI=1S/C26H28N8O4S/c1-4-7-23-29-17(3)24-26(35)30-25(31-34(23)24)21-13-20(10-11-22(21)38-5-2)39(36,37)32-19-9-6-8-18(12-19)14-33-16-27-15-28-33/h6,8-13,15-16,32H,4-5,7,14H2,1-3H3,(H,30,31,35)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4cccc(CS(C)(=O)=O)c4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][O][C][=C][C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#Branch2][C][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][O][=C][C][=C][Ring2][Ring1][Branch1][O][C][C][=N][N][Ring2][Ring2][Ring1][Ring2][Ring1][#C]
InChI: InChI=1S/C25H29N5O6S2/c1-5-8-22-26-16(3)23-25(31)27-24(28-30(22)23)20-14-19(11-12-21(20)36-6-2)38(34,35)29-18-10-7-9-17(13-18)15-37(4,32)33/h7,9-14,29H,5-6,8,15H2,1-4H3,(H,27,28,31)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4cc(CO)ccc4C)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][Branch1][C][=C][C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][Branch1][Ring1][C][O][=C][C][=C][Ring1][Branch2][C][=C][C][=C][Ring2][Ring1][Ring1][O][C][C][=N][N][Ring2][Ring1][P][Ring2][Ring1][=N]
InChI: InChI=1S/C25H29N5O5S/c1-5-7-22-26-16(4)23-25(32)27-24(28-30(22)23)19-13-18(10-11-21(19)35-6-2)36(33,34)29-20-12-17(14-31)9-8-15(20)3/h8-13,29,31H,5-7,14H2,1-4H3,(H,27,28,32)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(C)CCN(C)C)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring1][P][C][=C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][N][Branch1][C][C][C][=C][C][=C][Ring1][S][O][C][C][=N][N][Ring2][Ring1][=C][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C22H32N6O4S/c1-7-9-19-23-15(3)20-22(29)24-21(25-28(19)20)17-14-16(10-11-18(17)32-8-2)33(30,31)27(6)13-12-26(4)5/h10-11,14H,7-9,12-13H2,1-6H3,(H,24,25,29)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CCCO)Cc4ccc(OCC)cc4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][N][C][=C][C][Branch2][Ring1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][Branch1][C][C][C][O][C][C][=C][C][=C][Branch1][Ring2][O][C][C][C][=C][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][Branch2][O][C][C][=N][N][Ring2][Ring2][=Branch1][Ring2][Ring2][C]
InChI: InChI=1S/C29H37N5O6S/c1-5-9-26-30-20(4)27-29(36)31-28(32-34(26)27)24-18-23(14-15-25(24)40-7-3)41(37,38)33(16-8-17-35)19-21-10-12-22(13-11-21)39-6-2/h10-15,18,35H,5-9,16-17,19H2,1-4H3,(H,31,32,36)
SMILES: CCCCN(CCCO)S(=O)(=O)c1ccc(OCC)c(-c2nn3c(CCC)nc(C)c3c(=O)[nH]2)c1
SELFIES: [C][C][C][C][N][Branch1][Branch1][C][C][C][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][O][C][C][C][Branch2][Ring1][=Branch2][C][=N][N][C][Branch1][Ring2][C][C][C][=N][C][Branch1][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][NH1][Ring1][=C][=C][Ring2][Ring1][#Branch1]
InChI: InChI=1S/C24H35N5O5S/c1-5-8-13-28(14-9-15-30)35(32,33)18-11-12-20(34-7-3)19(16-18)23-26-24(31)22-17(4)25-21(10-6-2)29(22)27-23/h11-12,16,30H,5-10,13-15H2,1-4H3,(H,26,27,31)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CCCN(C)C)C(C)C)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][#Branch1][C][=C][C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][N][Branch1][C][C][C][C][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][Ring1][O][C][C][=N][N][Ring2][Ring1][P][Ring2][Ring1][=N]
InChI: InChI=1S/C25H38N6O4S/c1-8-11-22-26-18(5)23-25(32)27-24(28-31(22)23)20-16-19(12-13-21(20)35-9-2)36(33,34)30(17(3)4)15-10-14-29(6)7/h12-13,16-17H,8-11,14-15H2,1-7H3,(H,27,28,32)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCC(N5CCCC5)CC4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][Branch2][C][=C][C][Branch2][Ring1][=Branch2][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][=C][Ring2][Ring1][Ring2][O][C][C][=N][N][Ring2][Ring2][C][Ring2][Ring1][=C]
InChI: InChI=1S/C26H36N6O4S/c1-4-8-23-27-18(3)24-26(33)28-25(29-32(23)24)21-17-20(9-10-22(21)36-5-2)37(34,35)31-15-11-19(12-16-31)30-13-6-7-14-30/h9-10,17,19H,4-8,11-16H2,1-3H3,(H,28,29,33)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(c5ccc(OC)cc5)CC4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][=N][C][=C][C][Branch2][Ring1][=C][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][C][Ring1][=C][=C][C][=C][Ring2][Ring1][#Branch1][O][C][C][=N][N][Ring2][Ring2][Branch1][Ring2][Ring1][P]
InChI: InChI=1S/C28H34N6O5S/c1-5-7-25-29-19(3)26-28(35)30-27(31-34(25)26)23-18-22(12-13-24(23)39-6-2)40(36,37)33-16-14-32(15-17-33)20-8-10-21(38-4)11-9-20/h8-13,18H,5-7,14-17H2,1-4H3,(H,30,31,35)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CCCCO)Cc4ccccc4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][Branch2][C][=C][C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=Branch1][C][C][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][=Branch1][O][C][C][=N][N][Ring2][Ring2][Ring2][Ring2][Ring1][S]
InChI: InChI=1S/C28H35N5O5S/c1-4-11-25-29-20(3)26-28(35)30-27(31-33(25)26)23-18-22(14-15-24(23)38-5-2)39(36,37)32(16-9-10-17-34)19-21-12-7-6-8-13-21/h6-8,12-15,18,34H,4-5,9-11,16-17,19H2,1-3H3,(H,30,31,35)
SMILES: CCCCN(CCO)S(=O)(=O)c1ccc(OCC)c(-c2nn3c(CCC)nc(C)c3c(=O)[nH]2)c1
SELFIES: [C][C][C][C][N][Branch1][Ring2][C][C][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][O][C][C][C][Branch2][Ring1][=Branch2][C][=N][N][C][Branch1][Ring2][C][C][C][=N][C][Branch1][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][NH1][Ring1][=C][=C][Ring2][Ring1][#Branch1]
InChI: InChI=1S/C23H33N5O5S/c1-5-8-12-27(13-14-29)34(31,32)17-10-11-19(33-7-3)18(15-17)22-25-23(30)21-16(4)24-20(9-6-2)28(21)26-22/h10-11,15,29H,5-9,12-14H2,1-4H3,(H,25,26,30)
SMILES: CCCc1nc(CC)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCN4CCCCC4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][Ring1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][C][C][=C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][C][O][C][C][=N][N][Ring2][Ring1][P][Ring2][Ring1][N]
InChI: InChI=1S/C25H36N6O4S/c1-4-10-22-27-20(5-2)23-25(32)28-24(29-31(22)23)19-17-18(11-12-21(19)35-6-3)36(33,34)26-13-16-30-14-8-7-9-15-30/h11-12,17,26H,4-10,13-16H2,1-3H3,(H,28,29,32)
SMILES: CCCc1nc(CC)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCN4CCCC4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][Ring1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring1][S][C][=C][C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][C][C][C][C][Ring1][Branch1][=C][C][=C][Ring1][P][O][C][C][=N][N][Ring2][Ring1][S][Ring2][Ring1][O]
InChI: InChI=1S/C24H34N6O4S/c1-4-9-21-26-19(5-2)22-24(31)27-23(28-30(21)22)18-16-17(10-11-20(18)34-6-3)35(32,33)25-12-15-29-13-7-8-14-29/h10-11,16,25H,4-9,12-15H2,1-3H3,(H,27,28,31)
SMILES: CCCc1nc(CC)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCCN4CCCC4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][Ring1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][C][C][=C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][C][C][C][C][Ring1][Branch1][=C][C][=C][Ring2][Ring1][C][O][C][C][=N][N][Ring2][Ring1][P][Ring2][Ring1][N]
InChI: InChI=1S/C25H36N6O4S/c1-4-10-22-27-20(5-2)23-25(32)28-24(29-31(22)23)19-17-18(11-12-21(19)35-6-3)36(33,34)26-13-9-16-30-14-7-8-15-30/h11-12,17,26H,4-10,13-16H2,1-3H3,(H,28,29,32)
SMILES: CCCc1nc(CC)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCN(C)c4ccccc4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][Ring1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][=Branch1][C][=C][C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Ring2][O][C][C][=N][N][Ring2][Ring2][Ring1][Ring2][Ring1][=C]
InChI: InChI=1S/C27H34N6O4S/c1-5-11-24-29-22(6-2)25-27(34)30-26(31-33(24)25)21-18-20(14-15-23(21)37-7-3)38(35,36)28-16-17-32(4)19-12-9-8-10-13-19/h8-10,12-15,18,28H,5-7,11,16-17H2,1-4H3,(H,30,31,34)
SMILES: CCCc1nc(CC)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NC(CN(C)C)CN(C)C)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][Ring1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][#Branch1][C][=C][C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][#Branch1][C][N][Branch1][C][C][C][C][N][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][Ring1][O][C][C][=N][N][Ring2][Ring2][C][Ring2][Ring1][=N]
InChI: InChI=1S/C25H39N7O4S/c1-8-11-22-26-20(9-2)23-25(33)27-24(28-32(22)23)19-14-18(12-13-21(19)36-10-3)37(34,35)29-17(15-30(4)5)16-31(6)7/h12-14,17,29H,8-11,15-16H2,1-7H3,(H,27,28,33)
SMILES: CCCc1nc(CC)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCC(CC)N(C)C)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][Ring1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][Ring2][C][=C][C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][Ring1][C][C][N][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][C][O][C][C][=N][N][Ring2][Ring1][P][Ring2][Ring1][N]
InChI: InChI=1S/C25H38N6O4S/c1-7-11-22-27-20(9-3)23-25(32)28-24(29-31(22)23)19-16-18(12-13-21(19)35-10-4)36(33,34)26-15-14-17(8-2)30(5)6/h12-13,16-17,26H,7-11,14-15H2,1-6H3,(H,28,29,32)
SMILES: CCCc1nc(CC)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCCN(C)Cc4ccccc4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][Ring1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][Branch2][C][=C][C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][=Branch1][O][C][C][=N][N][Ring2][Ring2][Branch1][Ring2][Ring1][S]
InChI: InChI=1S/C29H38N6O4S/c1-5-12-26-31-24(6-2)27-29(36)32-28(33-35(26)27)23-19-22(15-16-25(23)39-7-3)40(37,38)30-17-11-18-34(4)20-21-13-9-8-10-14-21/h8-10,13-16,19,30H,5-7,11-12,17-18,20H2,1-4H3,(H,32,33,36)
SMILES: CCCc1nc(CC)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCCN(C)c4ccccc4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][Ring1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][#Branch1][C][=C][C][Branch2][Ring1][Branch2][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][=C][Ring2][Ring1][Branch1][O][C][C][=N][N][Ring2][Ring2][Ring2][Ring2][Ring1][#C]
InChI: InChI=1S/C28H36N6O4S/c1-5-12-25-30-23(6-2)26-28(35)31-27(32-34(25)26)22-19-21(15-16-24(22)38-7-3)39(36,37)29-17-11-18-33(4)20-13-9-8-10-14-20/h8-10,13-16,19,29H,5-7,11-12,17-18H2,1-4H3,(H,31,32,35)
SMILES: CCCc1nc(CC)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCN(C)CCO)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][Ring1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring1][S][C][=C][C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][C][O][=C][C][=C][Ring1][P][O][C][C][=N][N][Ring2][Ring1][S][Ring2][Ring1][O]
InChI: InChI=1S/C23H34N6O5S/c1-5-8-20-25-18(6-2)21-23(31)26-22(27-29(20)21)17-15-16(9-10-19(17)34-7-3)35(32,33)24-11-12-28(4)13-14-30/h9-10,15,24,30H,5-8,11-14H2,1-4H3,(H,26,27,31)
SMILES: CCCc1nc(CC)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCC(CC)N4CCOCC4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][Ring1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][#Branch1][C][=C][C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][Ring1][C][C][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Branch1][O][C][C][=N][N][Ring2][Ring2][Ring2][Ring2][Ring1][#C]
InChI: InChI=1S/C27H40N6O5S/c1-5-9-24-29-22(7-3)25-27(34)30-26(31-33(24)25)21-18-20(10-11-23(21)38-8-4)39(35,36)28-13-12-19(6-2)32-14-16-37-17-15-32/h10-11,18-19,28H,5-9,12-17H2,1-4H3,(H,30,31,34)
SMILES: CCCc1nc(CC)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4cccc(CN(C)CCO)c4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][Ring1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][#Branch2][C][=C][C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][C][N][Branch1][C][C][C][C][O][=C][Ring1][N][=C][C][=C][Ring2][Ring1][=Branch1][O][C][C][=N][N][Ring2][Ring2][Branch1][Ring2][Ring1][S]
InChI: InChI=1S/C28H36N6O5S/c1-5-9-25-29-23(6-2)26-28(36)30-27(31-34(25)26)22-17-21(12-13-24(22)39-7-3)40(37,38)32-20-11-8-10-19(16-20)18-33(4)14-15-35/h8,10-13,16-17,32,35H,5-7,9,14-15,18H2,1-4H3,(H,30,31,36)
SMILES: CCCc1nc(CC)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4cccc(CN(CC)CCO)c4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][Ring1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][O][C][=C][C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#Branch2][C][N][Branch1][Ring1][C][C][C][C][O][=C][Ring1][=N][=C][C][=C][Ring2][Ring1][#Branch1][O][C][C][=N][N][Ring2][Ring2][=Branch1][Ring2][Ring1][P]
InChI: InChI=1S/C29H38N6O5S/c1-5-10-26-30-24(6-2)27-29(37)31-28(32-35(26)27)23-18-22(13-14-25(23)40-8-4)41(38,39)33-21-12-9-11-20(17-21)19-34(7-3)15-16-36/h9,11-14,17-18,33,36H,5-8,10,15-16,19H2,1-4H3,(H,31,32,37)
SMILES: CCCc1nc(CC)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4cccc(CN5CCOCC5)c4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][Ring1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][O][C][=C][C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][=N][=C][C][=C][Ring2][Ring1][#Branch1][O][C][C][=N][N][Ring2][Ring2][=Branch1][Ring2][Ring1][P]
InChI: InChI=1S/C29H36N6O5S/c1-4-8-26-30-24(5-2)27-29(36)31-28(32-35(26)27)23-18-22(11-12-25(23)40-6-3)41(37,38)33-21-10-7-9-20(17-21)19-34-13-15-39-16-14-34/h7,9-12,17-18,33H,4-6,8,13-16,19H2,1-3H3,(H,31,32,36)
SMILES: CCCc1nc(CC)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCN4CCOCC4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][Ring1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][C][C][=C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][C][O][C][C][=N][N][Ring2][Ring1][P][Ring2][Ring1][N]
InChI: InChI=1S/C24H34N6O5S/c1-4-7-21-26-19(5-2)22-24(31)27-23(28-30(21)22)18-16-17(8-9-20(18)35-6-3)36(32,33)25-10-11-29-12-14-34-15-13-29/h8-9,16,25H,4-7,10-15H2,1-3H3,(H,27,28,31)
SMILES: CCCc1nc(CC)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(C)CCO)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][Ring1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring1][N][C][=C][C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][O][=C][C][=C][Ring1][=C][O][C][C][=N][N][Ring2][Ring1][=N][Ring2][Ring1][Branch2]
InChI: InChI=1S/C21H29N5O5S/c1-5-8-18-22-16(6-2)19-21(28)23-20(24-26(18)19)15-13-14(9-10-17(15)31-7-3)32(29,30)25(4)11-12-27/h9-10,13,27H,5-8,11-12H2,1-4H3,(H,23,24,28)
SMILES: CCCc1nc(CC)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CCO)CCN(CC)CC)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][Ring1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][=Branch1][C][=C][C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][C][N][Branch1][Ring1][C][C][C][C][=C][C][=C][Ring2][Ring1][Ring2][O][C][C][=N][N][Ring2][Ring2][Ring1][Ring2][Ring1][=C]
InChI: InChI=1S/C26H40N6O5S/c1-6-11-23-27-21(7-2)24-26(34)28-25(29-32(23)24)20-18-19(12-13-22(20)37-10-5)38(35,36)31(16-17-33)15-14-30(8-3)9-4/h12-13,18,33H,6-11,14-17H2,1-5H3,(H,28,29,34)
SMILES: CCCc1nc(CC)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(C)CCN(C)C)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][Ring1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring1][P][C][=C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][N][Branch1][C][C][C][=C][C][=C][Ring1][S][O][C][C][=N][N][Ring2][Ring1][#C][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C23H34N6O4S/c1-7-10-20-24-18(8-2)21-23(30)25-22(26-29(20)21)17-15-16(11-12-19(17)33-9-3)34(31,32)28(6)14-13-27(4)5/h11-12,15H,7-10,13-14H2,1-6H3,(H,25,26,30)
SMILES: CCCc1nc(CC)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CC)CCN(CC)CC)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][Ring1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][Branch1][C][=C][C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][N][Branch1][Ring1][C][C][C][C][=C][C][=C][Ring2][Ring1][Ring1][O][C][C][=N][N][Ring2][Ring2][C][Ring2][Ring1][=N]
InChI: InChI=1S/C26H40N6O4S/c1-7-13-23-27-21(8-2)24-26(33)28-25(29-32(23)24)20-18-19(14-15-22(20)36-12-6)37(34,35)31(11-5)17-16-30(9-3)10-4/h14-15,18H,7-13,16-17H2,1-6H3,(H,28,29,33)
SMILES: CCCc1nc(CC)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(Cc5ccccc5)CC4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][Ring1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][#Branch2][C][=C][C][Branch2][Ring1][O][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][=C][Ring2][Ring1][=Branch1][O][C][C][=N][N][Ring2][Ring2][Branch1][Ring2][Ring1][S]
InChI: InChI=1S/C29H36N6O4S/c1-4-10-26-30-24(5-2)27-29(36)31-28(32-35(26)27)23-19-22(13-14-25(23)39-6-3)40(37,38)34-17-15-33(16-18-34)20-21-11-8-7-9-12-21/h7-9,11-14,19H,4-6,10,15-18,20H2,1-3H3,(H,31,32,36)
SMILES: CCCc1nc(CC)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCC(N5CCCCC5)CC4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][Ring1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][=Branch2][C][=C][C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][=C][C][=C][Ring2][Ring1][Branch1][O][C][C][=N][N][Ring2][Ring2][Ring2][Ring2][Ring1][#C]
InChI: InChI=1S/C28H40N6O4S/c1-4-10-25-29-23(5-2)26-28(35)30-27(31-34(25)26)22-19-21(11-12-24(22)38-6-3)39(36,37)33-17-13-20(14-18-33)32-15-8-7-9-16-32/h11-12,19-20H,4-10,13-18H2,1-3H3,(H,30,31,35)
SMILES: CCCc1nc(CC)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(C)C4CCN(C)CC4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][Ring1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][=Branch1][C][=C][C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][C][=C][Ring2][Ring1][C][O][C][C][=N][N][Ring2][Ring1][P][Ring2][Ring1][N]
InChI: InChI=1S/C25H36N6O4S/c1-6-9-22-26-20(7-2)23-25(32)27-24(28-31(22)23)19-16-18(10-11-21(19)35-8-3)36(33,34)30(5)17-12-14-29(4)15-13-17/h10-11,16-17H,6-9,12-15H2,1-5H3,(H,27,28,32)