EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NC(C)CCOCC)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][Branch1][C][C][C][C][O][C][C][=C][C][=C][Ring1][P][O][C][C][=N][N][Ring2][Ring1][#C][Ring2][Ring1][O]
InChI: InChI=1S/C23H33N5O5S/c1-6-9-20-24-16(5)21-23(29)25-22(26-28(20)21)18-14-17(10-11-19(18)33-8-3)34(30,31)27-15(4)12-13-32-7-2/h10-11,14-15,27H,6-9,12-13H2,1-5H3,(H,25,26,29)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NC(CCCc4ccccc4)C(C)O)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][Branch1][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][O][=C][C][=C][Ring2][Ring1][#Branch1][O][C][C][=N][N][Ring2][Ring2][Branch1][Ring2][Ring1][P]
InChI: InChI=1S/C29H37N5O5S/c1-5-11-26-30-19(3)27-29(36)31-28(32-34(26)27)23-18-22(16-17-25(23)39-6-2)40(37,38)33-24(20(4)35)15-10-14-21-12-8-7-9-13-21/h7-9,12-13,16-18,20,24,33,35H,5-6,10-11,14-15H2,1-4H3,(H,31,32,36)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCC(C)(COC)COC)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][Ring2][C][O][C][C][O][C][=C][C][=C][Ring2][Ring1][Ring1][O][C][C][=N][N][Ring2][Ring1][P][Ring2][Ring1][=N]
InChI: InChI=1S/C24H35N5O6S/c1-7-9-20-26-16(3)21-23(30)27-22(28-29(20)21)18-12-17(10-11-19(18)35-8-2)36(31,32)25-13-24(4,14-33-5)15-34-6/h10-12,25H,7-9,13-15H2,1-6H3,(H,27,28,30)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCC(C)(C)CO)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][C][C][Branch1][C][C][Branch1][C][C][C][O][=C][C][=C][Ring1][S][O][C][C][=N][N][Ring2][Ring1][=C][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C22H31N5O5S/c1-6-8-18-24-14(3)19-21(29)25-20(26-27(18)19)16-11-15(9-10-17(16)32-7-2)33(30,31)23-12-22(4,5)13-28/h9-11,23,28H,6-8,12-13H2,1-5H3,(H,25,26,29)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCCOCC4COCO4)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][O][C][C][C][O][C][O][Ring1][Branch1][=C][C][=C][Ring2][Ring1][Ring2][O][C][C][=N][N][Ring2][Ring2][C][Ring2][Ring1][=C]
InChI: InChI=1S/C24H33N5O7S/c1-4-7-21-26-16(3)22-24(30)27-23(28-29(21)22)19-12-18(8-9-20(19)35-5-2)37(31,32)25-10-6-11-33-13-17-14-34-15-36-17/h8-9,12,17,25H,4-7,10-11,13-15H2,1-3H3,(H,27,28,30)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCCOCCc4ccccc4)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][O][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/C28H35N5O5S/c1-4-10-25-30-20(3)26-28(34)31-27(32-33(25)26)23-19-22(13-14-24(23)38-5-2)39(35,36)29-16-9-17-37-18-15-21-11-7-6-8-12-21/h6-8,11-14,19,29H,4-5,9-10,15-18H2,1-3H3,(H,31,32,34)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCCOCc4ccco4)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][O][C][C][=C][C][=C][O][Ring1][Branch1][=C][C][=C][Ring2][Ring1][Ring2][O][C][C][=N][N][Ring2][Ring2][C][Ring2][Ring1][=C]
InChI: InChI=1S/C25H31N5O6S/c1-4-8-22-27-17(3)23-25(31)28-24(29-30(22)23)20-15-19(10-11-21(20)35-5-2)37(32,33)26-12-7-13-34-16-18-9-6-14-36-18/h6,9-11,14-15,26H,4-5,7-8,12-13,16H2,1-3H3,(H,28,29,31)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCCOCc4ccccc4)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][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Branch1][O][C][C][=N][N][Ring2][Ring2][Ring1][Ring2][Ring1][#C]
InChI: InChI=1S/C27H33N5O5S/c1-4-10-24-29-19(3)25-27(33)30-26(31-32(24)25)22-17-21(13-14-23(22)37-5-2)38(34,35)28-15-9-16-36-18-20-11-7-6-8-12-20/h6-8,11-14,17,28H,4-5,9-10,15-16,18H2,1-3H3,(H,30,31,33)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCCOC(=O)N(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][C][O][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][Ring1][O][C][C][=N][N][Ring2][Ring1][P][Ring2][Ring1][=N]
InChI: InChI=1S/C23H32N6O6S/c1-6-9-19-25-15(3)20-22(30)26-21(27-29(19)20)17-14-16(10-11-18(17)34-7-2)36(32,33)24-12-8-13-35-23(31)28(4)5/h10-11,14,24H,6-9,12-13H2,1-5H3,(H,26,27,30)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCN4CCCCC4)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][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][S][Ring2][Ring1][N]
InChI: InChI=1S/C24H34N6O4S/c1-4-9-21-26-17(3)22-24(31)27-23(28-30(21)22)19-16-18(10-11-20(19)34-5-2)35(32,33)25-12-15-29-13-7-6-8-14-29/h10-11,16,25H,4-9,12-15H2,1-3H3,(H,27,28,31)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NC4CCN(Cc5ccccc5)CC4)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][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][P]
InChI: InChI=1S/C29H36N6O4S/c1-4-9-26-30-20(3)27-29(36)31-28(32-35(26)27)24-18-23(12-13-25(24)39-5-2)40(37,38)33-22-14-16-34(17-15-22)19-21-10-7-6-8-11-21/h6-8,10-13,18,22,33H,4-5,9,14-17,19H2,1-3H3,(H,31,32,36)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCN(C)c4ccccc4)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][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][C][Ring2][Ring1][=C]
InChI: InChI=1S/C26H32N6O4S/c1-5-10-23-28-18(3)24-26(33)29-25(30-32(23)24)21-17-20(13-14-22(21)36-6-2)37(34,35)27-15-16-31(4)19-11-8-7-9-12-19/h7-9,11-14,17,27H,5-6,10,15-16H2,1-4H3,(H,29,30,33)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCCN(C)c4ccccc4)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][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][Ring1][Ring2][Ring1][#C]
InChI: InChI=1S/C27H34N6O4S/c1-5-11-24-29-19(3)25-27(34)30-26(31-33(24)25)22-18-21(14-15-23(22)37-6-2)38(35,36)28-16-10-17-32(4)20-12-8-7-9-13-20/h7-9,12-15,18,28H,5-6,10-11,16-17H2,1-4H3,(H,30,31,34)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCC(CC)N4CCOCC4)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][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][Ring1][Ring2][Ring1][#C]
InChI: InChI=1S/C26H38N6O5S/c1-5-8-23-28-18(4)24-26(33)29-25(30-32(23)24)21-17-20(9-10-22(21)37-7-3)38(34,35)27-12-11-19(6-2)31-13-15-36-16-14-31/h9-10,17,19,27H,5-8,11-16H2,1-4H3,(H,29,30,33)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCN4CCOCC4)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][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][S][Ring2][Ring1][N]
InChI: InChI=1S/C23H32N6O5S/c1-4-6-20-25-16(3)21-23(30)26-22(27-29(20)21)18-15-17(7-8-19(18)34-5-2)35(31,32)24-9-10-28-11-13-33-14-12-28/h7-8,15,24H,4-6,9-14H2,1-3H3,(H,26,27,30)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CCO)CCCOC)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][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][C][C][O][C][=C][C][=C][Ring2][Ring1][C][O][C][C][=N][N][Ring2][Ring1][S][Ring2][Ring1][N]
InChI: InChI=1S/C23H33N5O6S/c1-5-8-20-24-16(3)21-23(30)25-22(26-28(20)21)18-15-17(9-10-19(18)34-6-2)35(31,32)27(12-13-29)11-7-14-33-4/h9-10,15,29H,5-8,11-14H2,1-4H3,(H,25,26,30)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CCC(C)O)c4ccccc4)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][Branch2][C][C][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Branch1][O][C][C][=N][N][Ring2][Ring2][Ring1][Ring2][Ring1][#C]
InChI: InChI=1S/C27H33N5O5S/c1-5-10-24-28-19(4)25-27(34)29-26(30-32(24)25)22-17-21(13-14-23(22)37-6-2)38(35,36)31(16-15-18(3)33)20-11-8-7-9-12-20/h7-9,11-14,17-18,33H,5-6,10,15-16H2,1-4H3,(H,29,30,34)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CCCO)Cc4ccc(OC)cc4OC)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][Branch1][Branch1][C][C][C][O][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][=C][C][=C][Ring2][Ring1][=Branch2][O][C][C][=N][N][Ring2][Ring2][#Branch1][Ring2][Ring2][Ring1]
InChI: InChI=1S/C29H37N5O7S/c1-6-9-26-30-19(3)27-29(36)31-28(32-34(26)27)23-17-22(12-13-24(23)41-7-2)42(37,38)33(14-8-15-35)18-20-10-11-21(39-4)16-25(20)40-5/h10-13,16-17,35H,6-9,14-15,18H2,1-5H3,(H,31,32,36)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CC)CC(CC)(CO)CO)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][Ring1][C][C][C][C][Branch1][Ring1][C][C][Branch1][Ring1][C][O][C][O][=C][C][=C][Ring2][Ring1][Ring2][O][C][C][=N][N][Ring2][Ring2][C][Ring2][Ring1][=C]
InChI: InChI=1S/C25H37N5O6S/c1-6-10-21-26-17(5)22-24(33)27-23(28-30(21)22)19-13-18(11-12-20(19)36-9-4)37(34,35)29(8-3)14-25(7-2,15-31)16-32/h11-13,31-32H,6-10,14-16H2,1-5H3,(H,27,28,33)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CCO)CCCOCC)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][Ring1][C][=C][C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][C][C][O][C][C][=C][C][=C][Ring2][Ring1][Ring1][O][C][C][=N][N][Ring2][Ring1][P][Ring2][Ring1][=N]
InChI: InChI=1S/C24H35N5O6S/c1-5-9-21-25-17(4)22-24(31)26-23(27-29(21)22)19-16-18(10-11-20(19)35-7-3)36(32,33)28(13-14-30)12-8-15-34-6-2/h10-11,16,30H,5-9,12-15H2,1-4H3,(H,26,27,31)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CCCO)Cc4ccccc4OC)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][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Ring2][Ring1][#Branch1][O][C][C][=N][N][Ring2][Ring2][Branch1][Ring2][Ring1][P]
InChI: InChI=1S/C28H35N5O6S/c1-5-10-25-29-19(3)26-28(35)30-27(31-33(25)26)22-17-21(13-14-24(22)39-6-2)40(36,37)32(15-9-16-34)18-20-11-7-8-12-23(20)38-4/h7-8,11-14,17,34H,5-6,9-10,15-16,18H2,1-4H3,(H,30,31,35)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CCCO)Cc4ccc(Cl)cc4Cl)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][Branch1][Branch1][C][C][C][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=C][C][=C][Ring2][Ring1][#Branch1][O][C][C][=N][N][Ring2][Ring2][Branch1][Ring2][Ring1][P]
InChI: InChI=1S/C27H31Cl2N5O5S/c1-4-7-24-30-17(3)25-27(36)31-26(32-34(24)25)21-15-20(10-11-23(21)39-5-2)40(37,38)33(12-6-13-35)16-18-8-9-19(28)14-22(18)29/h8-11,14-15,35H,4-7,12-13,16H2,1-3H3,(H,31,32,36)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CCCO)Cc4ccc(OC)cc4)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][Branch1][Branch1][C][C][C][O][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][C][=C][Ring2][Ring1][#Branch1][O][C][C][=N][N][Ring2][Ring2][Branch1][Ring2][Ring1][P]
InChI: InChI=1S/C28H35N5O6S/c1-5-8-25-29-19(3)26-28(35)30-27(31-33(25)26)23-17-22(13-14-24(23)39-6-2)40(36,37)32(15-7-16-34)18-20-9-11-21(38-4)12-10-20/h9-14,17,34H,5-8,15-16,18H2,1-4H3,(H,30,31,35)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(C)CCCO)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring1][=N][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][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/c1-5-8-18-22-14(3)19-21(28)23-20(24-26(18)19)16-13-15(9-10-17(16)31-6-2)32(29,30)25(4)11-7-12-27/h9-10,13,27H,5-8,11-12H2,1-4H3,(H,23,24,28)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CCCOC)CCCOC)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][Branch1][=Branch1][C][C][C][O][C][C][C][C][O][C][=C][C][=C][Ring2][Ring1][Ring2][O][C][C][=N][N][Ring2][Ring2][C][Ring2][Ring1][=C]
InChI: InChI=1S/C25H37N5O6S/c1-6-10-22-26-18(3)23-25(31)27-24(28-30(22)23)20-17-19(11-12-21(20)36-7-2)37(32,33)29(13-8-15-34-4)14-9-16-35-5/h11-12,17H,6-10,13-16H2,1-5H3,(H,27,28,31)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CCC)CC4CCOC4)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][Branch1][Ring2][C][C][C][C][C][C][C][O][C][Ring1][Branch1][=C][C][=C][Ring2][Ring1][Ring1][O][C][C][=N][N][Ring2][Ring1][P][Ring2][Ring1][=N]
InChI: InChI=1S/C25H35N5O5S/c1-5-8-22-26-17(4)23-25(31)27-24(28-30(22)23)20-14-19(9-10-21(20)35-7-3)36(32,33)29(12-6-2)15-18-11-13-34-16-18/h9-10,14,18H,5-8,11-13,15-16H2,1-4H3,(H,27,28,31)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CCCOCC)CC4CCCO4)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][O][C][C][C][C][C][C][C][O][Ring1][Branch1][=C][C][=C][Ring2][Ring1][=Branch1][O][C][C][=N][N][Ring2][Ring2][Ring2][Ring2][Ring1][S]
InChI: InChI=1S/C27H39N5O6S/c1-5-10-24-28-19(4)25-27(33)29-26(30-32(24)25)22-17-21(12-13-23(22)37-7-3)39(34,35)31(14-9-15-36-6-2)18-20-11-8-16-38-20/h12-13,17,20H,5-11,14-16,18H2,1-4H3,(H,29,30,33)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CCCO)Cc4ccccc4)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][Branch1][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][Ring1][Ring2][Ring1][#C]
InChI: InChI=1S/C27H33N5O5S/c1-4-10-24-28-19(3)25-27(34)29-26(30-32(24)25)22-17-21(13-14-23(22)37-5-2)38(35,36)31(15-9-16-33)18-20-11-7-6-8-12-20/h6-8,11-14,17,33H,4-5,9-10,15-16,18H2,1-3H3,(H,29,30,34)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CC)CCN(CC)CC)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][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][Ring1][P][Ring2][Ring1][=N]
InChI: InChI=1S/C25H38N6O4S/c1-7-12-22-26-18(6)23-25(32)27-24(28-31(22)23)20-17-19(13-14-21(20)35-11-5)36(33,34)30(10-4)16-15-29(8-2)9-3/h13-14,17H,7-12,15-16H2,1-6H3,(H,27,28,32)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(Cc4ccc(Cl)cc4)C(C)(C)CO)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][S][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][C][Branch1][C][C][C][O][=C][C][=C][Ring2][Ring1][#Branch1][O][C][C][=N][N][Ring2][Ring2][Branch1][Ring2][Ring1][P]
InChI: InChI=1S/C28H34ClN5O5S/c1-6-8-24-30-18(3)25-27(36)31-26(32-34(24)25)22-15-21(13-14-23(22)39-7-2)40(37,38)33(28(4,5)17-35)16-19-9-11-20(29)12-10-19/h9-15,35H,6-8,16-17H2,1-5H3,(H,31,32,36)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(Cc5ccccc5)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][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][Ring2][Ring2][Ring1][S]
InChI: InChI=1S/C28H34N6O4S/c1-4-9-25-29-20(3)26-28(35)30-27(31-34(25)26)23-18-22(12-13-24(23)38-5-2)39(36,37)33-16-14-32(15-17-33)19-21-10-7-6-8-11-21/h6-8,10-13,18H,4-5,9,14-17,19H2,1-3H3,(H,30,31,35)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCC(N5CCCCC5)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][C][Ring1][=Branch1][C][C][Ring1][N][=C][C][=C][Ring2][Ring1][Branch1][O][C][C][=N][N][Ring2][Ring2][Ring1][Ring2][Ring1][#C]
InChI: InChI=1S/C27H38N6O4S/c1-4-9-24-28-19(3)25-27(34)29-26(30-33(24)25)22-18-21(10-11-23(22)37-5-2)38(35,36)32-16-12-20(13-17-32)31-14-7-6-8-15-31/h10-11,18,20H,4-9,12-17H2,1-3H3,(H,29,30,34)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(C)C4CCN(C)CC4)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][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][S][Ring2][Ring1][N]
InChI: InChI=1S/C24H34N6O4S/c1-6-8-21-25-16(3)22-24(31)26-23(27-30(21)22)19-15-18(9-10-20(19)34-7-2)35(32,33)29(5)17-11-13-28(4)14-12-17/h9-10,15,17H,6-8,11-14H2,1-5H3,(H,26,27,31)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(C)CCCN(C)C)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][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][C][N][Branch1][C][C][C][=C][C][=C][Ring1][P][O][C][C][=N][N][Ring2][Ring1][#C][Ring2][Ring1][O]
InChI: InChI=1S/C23H34N6O4S/c1-7-10-20-24-16(3)21-23(30)25-22(26-29(20)21)18-15-17(11-12-19(18)33-8-2)34(31,32)28(6)14-9-13-27(4)5/h11-12,15H,7-10,13-14H2,1-6H3,(H,25,26,30)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(C)CC(O)CN(C)c4ccccc4)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][Branch1][C][C][C][C][Branch1][C][O][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][Branch1][Ring2][Ring1][P]
InChI: InChI=1S/C28H36N6O5S/c1-6-11-25-29-19(3)26-28(36)30-27(31-34(25)26)23-16-22(14-15-24(23)39-7-2)40(37,38)33(5)18-21(35)17-32(4)20-12-9-8-10-13-20/h8-10,12-16,21,35H,6-7,11,17-18H2,1-5H3,(H,30,31,36)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(C)CC(O)CN(CC)CC)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][C][C][C][C][Branch1][C][O][C][N][Branch1][Ring1][C][C][C][C][=C][C][=C][Ring2][Ring1][Ring2][O][C][C][=N][N][Ring2][Ring2][C][Ring2][Ring1][=C]
InChI: InChI=1S/C25H38N6O5S/c1-7-11-22-26-17(5)23-25(33)27-24(28-31(22)23)20-14-19(12-13-21(20)36-10-4)37(34,35)29(6)15-18(32)16-30(8-2)9-3/h12-14,18,32H,7-11,15-16H2,1-6H3,(H,27,28,33)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CCC)CC(O)CN4CCOCC4)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][Branch1][Ring2][C][C][C][C][C][Branch1][C][O][C][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][#Branch1][O][C][C][=N][N][Ring2][Ring2][Branch1][Ring2][Ring1][P]
InChI: InChI=1S/C27H40N6O6S/c1-5-8-24-28-19(4)25-27(35)29-26(30-33(24)25)22-16-21(9-10-23(22)39-7-3)40(36,37)32(11-6-2)18-20(34)17-31-12-14-38-15-13-31/h9-10,16,20,34H,5-8,11-15,17-18H2,1-4H3,(H,29,30,35)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(c5ccccc5)c5ccccc5C4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring2][S][C][=C][C][Branch2][Ring1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P][=C][C][=C][Ring2][Ring1][#Branch2][O][C][C][=N][N][Ring2][Ring2][Branch2][Ring2][Ring2][Ring2]
InChI: InChI=1S/C32H34N6O4S/c1-4-11-29-33-22(3)30-32(39)34-31(35-38(29)30)26-20-25(16-17-28(26)42-5-2)43(40,41)36-18-19-37(24-13-7-6-8-14-24)27-15-10-9-12-23(27)21-36/h6-10,12-17,20H,4-5,11,18-19,21H2,1-3H3,(H,34,35,39)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C(C)C)CC4)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][N][Branch1][=Branch1][C][Branch1][C][C][C][C][C][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][C][O][C][C][=N][N][Ring2][Ring1][S][Ring2][Ring1][N]
InChI: InChI=1S/C24H34N6O4S/c1-6-8-21-25-17(5)22-24(31)26-23(27-30(21)22)19-15-18(9-10-20(19)34-7-2)35(32,33)29-13-11-28(12-14-29)16(3)4/h9-10,15-16H,6-8,11-14H2,1-5H3,(H,26,27,31)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(C)N(C)c4ccccc4)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][C][C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Ring1][O][C][C][=N][N][Ring2][Ring1][P][Ring2][Ring1][=N]
InChI: InChI=1S/C25H30N6O4S/c1-6-11-22-26-17(3)23-25(32)27-24(28-31(22)23)20-16-19(14-15-21(20)35-7-2)36(33,34)30(5)29(4)18-12-9-8-10-13-18/h8-10,12-16H,6-7,11H2,1-5H3,(H,27,28,32)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(C)CCN(C)CCN(C)C)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][C][C][C][C][N][Branch1][C][C][C][C][N][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][Ring2][O][C][C][=N][N][Ring2][Ring2][C][Ring2][Ring1][=C]
InChI: InChI=1S/C25H39N7O4S/c1-8-10-22-26-18(3)23-25(33)27-24(28-32(22)23)20-17-19(11-12-21(20)36-9-2)37(34,35)31(7)16-15-30(6)14-13-29(4)5/h11-12,17H,8-10,13-16H2,1-7H3,(H,27,28,33)