EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4cccc5cccnc45)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][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Ring2][O][C][C][=N][N][Ring2][Ring2][C][Ring2][Ring1][=C]
InChI: InChI=1S/C26H26N6O4S/c1-4-8-22-28-16(3)24-26(33)29-25(30-32(22)24)19-15-18(12-13-21(19)36-5-2)37(34,35)31-20-11-6-9-17-10-7-14-27-23(17)20/h6-7,9-15,31H,4-5,8H2,1-3H3,(H,29,30,33)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4ccc(N5CCOCC5)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][N][C][C][O][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/C27H32N6O5S/c1-4-6-24-28-18(3)25-27(34)29-26(30-33(24)25)22-17-21(11-12-23(22)38-5-2)39(35,36)31-19-7-9-20(10-8-19)32-13-15-37-16-14-32/h7-12,17,31H,4-6,13-16H2,1-3H3,(H,29,30,34)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(c5ccccc5OC)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][N][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][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/c1-5-9-25-29-19(3)26-28(35)30-27(31-34(25)26)21-18-20(12-13-23(21)39-6-2)40(36,37)33-16-14-32(15-17-33)22-10-7-8-11-24(22)38-4/h7-8,10-13,18H,5-6,9,14-17H2,1-4H3,(H,30,31,35)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CC(=O)OCC)Cc4ccccc4)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][=Branch2][C][C][=Branch1][C][=O][O][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][P]
InChI: InChI=1S/C28H33N5O6S/c1-5-11-24-29-19(4)26-28(35)30-27(31-33(24)26)22-16-21(14-15-23(22)38-6-2)40(36,37)32(18-25(34)39-7-3)17-20-12-9-8-10-13-20/h8-10,12-16H,5-7,11,17-18H2,1-4H3,(H,30,31,35)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCSCC4)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][C][C][S][C][C][Ring1][=Branch1][=C][C][=C][Ring1][#C][O][C][C][=N][N][Ring2][Ring1][=N][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C21H27N5O4S2/c1-4-6-18-22-14(3)19-21(27)23-20(24-26(18)19)16-13-15(7-8-17(16)30-5-2)32(28,29)25-9-11-31-12-10-25/h7-8,13H,4-6,9-12H2,1-3H3,(H,23,24,27)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(C)CCc4ccc(OC)c(OC)c4)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][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][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/c1-7-9-25-29-18(3)26-28(34)30-27(31-33(25)26)21-17-20(11-13-22(21)39-8-2)40(35,36)32(4)15-14-19-10-12-23(37-5)24(16-19)38-6/h10-13,16-17H,7-9,14-15H2,1-6H3,(H,30,31,34)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(Cc4ccccc4)Cc4ccccc4S(=O)(=O)O)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Branch1][Ring2][C][=C][C][Branch2][Ring2][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][O][=C][C][=C][Ring2][Ring1][N][O][C][C][=N][N][Ring2][Ring2][#Branch2][Ring2][Ring2][=Branch1]
InChI: InChI=1S/C31H33N5O7S2/c1-4-11-28-32-21(3)29-31(37)33-30(34-36(28)29)25-18-24(16-17-26(25)43-5-2)44(38,39)35(19-22-12-7-6-8-13-22)20-23-14-9-10-15-27(23)45(40,41)42/h6-10,12-18H,4-5,11,19-20H2,1-3H3,(H,33,34,37)(H,40,41,42)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCC(O)c4cccc(OC)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][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][=C][C][=C][Ring2][Ring1][Branch1][O][C][C][=N][N][Ring2][Ring2][Ring1][Ring2][Ring1][#C]
InChI: InChI=1S/C26H31N5O6S/c1-5-8-23-28-16(3)24-26(33)29-25(30-31(23)24)20-14-19(11-12-22(20)37-6-2)38(34,35)27-15-21(32)17-9-7-10-18(13-17)36-4/h7,9-14,21,27,32H,5-6,8,15H2,1-4H3,(H,29,30,33)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCc4ccc5c(c4)OC(F)C(F)(F)O5)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Branch1][Ring1][C][=C][C][Branch2][Ring2][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][O][Ring1][#Branch2][=C][C][=C][Ring2][Ring1][=Branch2][O][C][C][=N][N][Ring2][Ring2][#Branch1][Ring2][Ring2][Ring1]
InChI: InChI=1S/C27H28F3N5O6S/c1-4-6-22-32-15(3)23-25(36)33-24(34-35(22)23)18-14-17(8-10-19(18)39-5-2)42(37,38)31-12-11-16-7-9-20-21(13-16)40-26(28)27(29,30)41-20/h7-10,13-14,26,31H,4-6,11-12H2,1-3H3,(H,33,34,36)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCC(O)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][Branch1][C][O][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/C25H29N5O5S/c1-4-9-22-27-16(3)23-25(32)28-24(29-30(22)23)19-14-18(12-13-21(19)35-5-2)36(33,34)26-15-20(31)17-10-7-6-8-11-17/h6-8,10-14,20,26,31H,4-5,9,15H2,1-3H3,(H,28,29,32)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CCO)CC4COC5(CCCCC5)O4)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][Branch1][Ring2][C][C][O][C][C][C][O][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][O][Ring1][#Branch2][=C][C][=C][Ring2][Ring1][Branch2][O][C][C][=N][N][Ring2][Ring2][=Branch1][Ring2][Ring2][C]
InChI: InChI=1S/C28H39N5O7S/c1-4-9-24-29-19(3)25-27(35)30-26(31-33(24)25)22-16-21(10-11-23(22)38-5-2)41(36,37)32(14-15-34)17-20-18-39-28(40-20)12-7-6-8-13-28/h10-11,16,20,34H,4-9,12-15,17-18H2,1-3H3,(H,30,31,35)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CCOC)CCOC)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][Branch1][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/c1-6-8-20-24-16(3)21-23(29)25-22(26-28(20)21)18-15-17(9-10-19(18)34-7-2)35(30,31)27(11-13-32-4)12-14-33-5/h9-10,15H,6-8,11-14H2,1-5H3,(H,25,26,29)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C(=O)OCC)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][N][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][C][Ring1][O][=C][C][=C][Ring2][Ring1][Ring2][O][C][C][=N][N][Ring2][Ring2][C][Ring2][Ring1][=C]
InChI: InChI=1S/C24H32N6O6S/c1-5-8-20-25-16(4)21-23(31)26-22(27-30(20)21)18-15-17(9-10-19(18)35-6-2)37(33,34)29-13-11-28(12-14-29)24(32)36-7-3/h9-10,15H,5-8,11-14H2,1-4H3,(H,26,27,31)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C(=O)OC(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][=C][C][=C][C][Branch2][Ring1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][=C][C][=C][Ring2][Ring1][=Branch1][O][C][C][=N][N][Ring2][Ring2][Ring2][Ring2][Ring1][S]
InChI: InChI=1S/C26H36N6O6S/c1-7-9-21-27-17(3)22-24(33)28-23(29-32(21)22)19-16-18(10-11-20(19)37-8-2)39(35,36)31-14-12-30(13-15-31)25(34)38-26(4,5)6/h10-11,16H,7-9,12-15H2,1-6H3,(H,28,29,33)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CCCc4ccccc4)CCCN4CCOCC4)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][Branch1][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][N][O][C][C][=N][N][Ring2][Ring2][#Branch2][Ring2][Ring2][=Branch1]
InChI: InChI=1S/C33H44N6O5S/c1-4-11-30-34-25(3)31-33(40)35-32(36-39(30)31)28-24-27(15-16-29(28)44-5-2)45(41,42)38(18-9-14-26-12-7-6-8-13-26)19-10-17-37-20-22-43-23-21-37/h6-8,12-13,15-16,24H,4-5,9-11,14,17-23H2,1-3H3,(H,35,36,40)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NN4CCOCC4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring1][=C][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Ring1][S][O][C][C][=N][N][Ring2][Ring1][=C][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C21H28N6O5S/c1-4-6-18-22-14(3)19-21(28)23-20(24-27(18)19)16-13-15(7-8-17(16)32-5-2)33(29,30)25-26-9-11-31-12-10-26/h7-8,13,25H,4-6,9-12H2,1-3H3,(H,23,24,28)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCC(CO)CC4)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][C][C][C][Branch1][Ring1][C][O][C][C][Ring1][Branch2][=C][C][=C][Ring1][P][O][C][C][=N][N][Ring2][Ring1][#C][Ring2][Ring1][O]
InChI: InChI=1S/C23H31N5O5S/c1-4-6-20-24-15(3)21-23(30)25-22(26-28(20)21)18-13-17(7-8-19(18)33-5-2)34(31,32)27-11-9-16(14-29)10-12-27/h7-8,13,16,29H,4-6,9-12,14H2,1-3H3,(H,25,26,30)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CCCN4CCOCC4)CCc4ccccc4)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][N][C][C][O][C][C][Ring1][=Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][O][O][C][C][=N][N][Ring2][Ring2][=Branch2][Ring2][Ring2][Branch1]
InChI: InChI=1S/C32H42N6O5S/c1-4-10-29-33-24(3)30-32(39)34-31(35-38(29)30)27-23-26(13-14-28(27)43-5-2)44(40,41)37(18-15-25-11-7-6-8-12-25)17-9-16-36-19-21-42-22-20-36/h6-8,11-14,23H,4-5,9-10,15-22H2,1-3H3,(H,34,35,39)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CCCN4CCOCC4)Cc4ccccc4)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][Branch1][N][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][#Branch2][O][C][C][=N][N][Ring2][Ring2][Branch2][Ring2][Ring2][Ring2]
InChI: InChI=1S/C31H40N6O5S/c1-4-10-28-32-23(3)29-31(38)33-30(34-37(28)29)26-21-25(13-14-27(26)42-5-2)43(39,40)36(22-24-11-7-6-8-12-24)16-9-15-35-17-19-41-20-18-35/h6-8,11-14,21H,4-5,9-10,15-20,22H2,1-3H3,(H,33,34,38)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCC(C(O)c5ccc(F)cc5)CC4)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][C][Branch1][S][C][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][#C][=C][C][=C][Ring2][Ring1][Branch2][O][C][C][=N][N][Ring2][Ring2][=Branch1][Ring2][Ring2][C]
InChI: InChI=1S/C29H34FN5O5S/c1-4-6-25-31-18(3)26-29(37)32-28(33-35(25)26)23-17-22(11-12-24(23)40-5-2)41(38,39)34-15-13-20(14-16-34)27(36)19-7-9-21(30)10-8-19/h7-12,17,20,27,36H,4-6,13-16H2,1-3H3,(H,32,33,37)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCc4ccc(O)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][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][C][=C][Ring2][Ring1][Ring1][O][C][C][=N][N][Ring2][Ring1][P][Ring2][Ring1][=N]
InChI: InChI=1S/C25H29N5O5S/c1-4-6-22-27-16(3)23-25(32)28-24(29-30(22)23)20-15-19(11-12-21(20)35-5-2)36(33,34)26-14-13-17-7-9-18(31)10-8-17/h7-12,15,26,31H,4-6,13-14H2,1-3H3,(H,28,29,32)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCc4ccc(OC)c(O)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][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][O][=C][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][Branch1][O][C][C][=N][N][Ring2][Ring2][Ring1][Ring2][Ring1][#C]
InChI: InChI=1S/C26H31N5O6S/c1-5-7-23-28-16(3)24-26(33)29-25(30-31(23)24)19-15-18(9-11-21(19)37-6-2)38(34,35)27-13-12-17-8-10-22(36-4)20(32)14-17/h8-11,14-15,27,32H,5-7,12-13H2,1-4H3,(H,29,30,33)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCc4ccc(O)c(OC)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][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][Branch1][O][C][C][=N][N][Ring2][Ring2][Ring1][Ring2][Ring1][#C]
InChI: InChI=1S/C26H31N5O6S/c1-5-7-23-28-16(3)24-26(33)29-25(30-31(23)24)19-15-18(9-11-21(19)37-6-2)38(34,35)27-13-12-17-8-10-20(32)22(14-17)36-4/h8-11,14-15,27,32H,5-7,12-13H2,1-4H3,(H,29,30,33)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCc4cc(OC)c(O)c(OC)c4)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][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][O][=C][C][=C][Ring2][Ring1][#Branch1][O][C][C][=N][N][Ring2][Ring2][Branch1][Ring2][Ring1][P]
InChI: InChI=1S/C27H33N5O7S/c1-6-8-23-29-16(3)24-27(34)30-26(31-32(23)24)19-15-18(9-10-20(19)39-7-2)40(35,36)28-12-11-17-13-21(37-4)25(33)22(14-17)38-5/h9-10,13-15,28,33H,6-8,11-12H2,1-5H3,(H,30,31,34)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4ccc(OC)c(OCC(C)C)c4)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][=C][Branch1][Ring1][O][C][C][Branch1][Branch2][O][C][C][Branch1][C][C][C][=C][Ring1][=N][=C][C][=C][Ring2][Ring1][#Branch1][O][C][C][=N][N][Ring2][Ring2][Branch1][Ring2][Ring1][P]
InChI: InChI=1S/C28H35N5O6S/c1-7-9-25-29-18(5)26-28(34)30-27(31-33(25)26)21-15-20(11-13-22(21)38-8-2)40(35,36)32-19-10-12-23(37-6)24(14-19)39-16-17(3)4/h10-15,17,32H,7-9,16H2,1-6H3,(H,30,31,34)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4ccc(OC)c(OCC(CC)CC)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][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][#Branch2][O][C][C][Branch1][Ring1][C][C][C][C][=C][Ring1][#C][=C][C][=C][Ring2][Ring1][=Branch2][O][C][C][=N][N][Ring2][Ring2][#Branch1][Ring2][Ring2][Ring1]
InChI: InChI=1S/C30H39N5O6S/c1-7-11-27-31-19(5)28-30(36)32-29(33-35(27)28)23-17-22(13-15-24(23)40-10-4)42(37,38)34-21-12-14-25(39-6)26(16-21)41-18-20(8-2)9-3/h12-17,20,34H,7-11,18H2,1-6H3,(H,32,33,36)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4ccc(OC)c(OCC5CCC5)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][Branch1][Ring1][O][C][C][Branch1][=Branch2][O][C][C][C][C][C][Ring1][Ring2][=C][Ring1][=C][=C][C][=C][Ring2][Ring1][Branch2][O][C][C][=N][N][Ring2][Ring2][=Branch1][Ring2][Ring2][C]
InChI: InChI=1S/C29H35N5O6S/c1-5-8-26-30-18(3)27-29(35)31-28(32-34(26)27)22-16-21(12-14-23(22)39-6-2)41(36,37)33-20-11-13-24(38-4)25(15-20)40-17-19-9-7-10-19/h11-16,19,33H,5-10,17H2,1-4H3,(H,31,32,35)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4ccc(OC)c(OCC5CCCCC5)c4)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][C][=C][Branch1][Ring1][O][C][C][Branch1][O][O][C][C][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][S][=C][C][=C][Ring2][Ring1][#Branch2][O][C][C][=N][N][Ring2][Ring2][Branch2][Ring2][Ring2][Ring2]
InChI: InChI=1S/C31H39N5O6S/c1-5-10-28-32-20(3)29-31(37)33-30(34-36(28)29)24-18-23(14-16-25(24)41-6-2)43(38,39)35-22-13-15-26(40-4)27(17-22)42-19-21-11-8-7-9-12-21/h13-18,21,35H,5-12,19H2,1-4H3,(H,33,34,37)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4ccc(OC)c(OC5CCCCCC5)c4)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][C][=C][Branch1][Ring1][O][C][C][Branch1][O][O][C][C][C][C][C][C][C][Ring1][#Branch1][=C][Ring1][S][=C][C][=C][Ring2][Ring1][#Branch2][O][C][C][=N][N][Ring2][Ring2][Branch2][Ring2][Ring2][Ring2]
InChI: InChI=1S/C31H39N5O6S/c1-5-11-28-32-20(3)29-31(37)33-30(34-36(28)29)24-19-23(15-17-25(24)41-6-2)43(38,39)35-21-14-16-26(40-4)27(18-21)42-22-12-9-7-8-10-13-22/h14-19,22,35H,5-13H2,1-4H3,(H,33,34,37)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4ccc(OC)c(OCCC(C)C)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][Branch1][Ring1][O][C][C][Branch1][=Branch2][O][C][C][C][Branch1][C][C][C][=C][Ring1][=C][=C][C][=C][Ring2][Ring1][Branch2][O][C][C][=N][N][Ring2][Ring2][=Branch1][Ring2][Ring2][C]
InChI: InChI=1S/C29H37N5O6S/c1-7-9-26-30-19(5)27-29(35)31-28(32-34(26)27)22-17-21(11-13-23(22)39-8-2)41(36,37)33-20-10-12-24(38-6)25(16-20)40-15-14-18(3)4/h10-13,16-18,33H,7-9,14-15H2,1-6H3,(H,31,32,35)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4ccc(OC)c(OCC5CCCCO5)c4)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][C][=C][Branch1][Ring1][O][C][C][Branch1][O][O][C][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][S][=C][C][=C][Ring2][Ring1][#Branch2][O][C][C][=N][N][Ring2][Ring2][Branch2][Ring2][Ring2][Ring2]
InChI: InChI=1S/C30H37N5O7S/c1-5-9-27-31-19(3)28-30(36)32-29(33-35(27)28)23-17-22(12-14-24(23)40-6-2)43(37,38)34-20-11-13-25(39-4)26(16-20)42-18-21-10-7-8-15-41-21/h11-14,16-17,21,34H,5-10,15,18H2,1-4H3,(H,32,33,36)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4ccc(OC)c(OCCOC)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][Branch1][Ring1][O][C][C][Branch1][=Branch1][O][C][C][O][C][=C][Ring1][=N][=C][C][=C][Ring2][Ring1][#Branch1][O][C][C][=N][N][Ring2][Ring2][Branch1][Ring2][Ring1][P]
InChI: InChI=1S/C27H33N5O7S/c1-6-8-24-28-17(3)25-27(33)29-26(30-32(24)25)20-16-19(10-12-21(20)38-7-2)40(34,35)31-18-9-11-22(37-5)23(15-18)39-14-13-36-4/h9-12,15-16,31H,6-8,13-14H2,1-5H3,(H,29,30,33)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4ccc(OC)c(OCC5CC5)c4)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][=C][Branch1][Ring1][O][C][C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring1][=C][Ring1][=N][=C][C][=C][Ring2][Ring1][#Branch1][O][C][C][=N][N][Ring2][Ring2][Branch1][Ring2][Ring1][P]
InChI: InChI=1S/C28H33N5O6S/c1-5-7-25-29-17(3)26-28(34)30-27(31-33(25)26)21-15-20(11-13-22(21)38-6-2)40(35,36)32-19-10-12-23(37-4)24(14-19)39-16-18-8-9-18/h10-15,18,32H,5-9,16H2,1-4H3,(H,30,31,34)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4ccc(OC)c(OCC(=O)OC(C)(C)C)c4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Branch1][Branch1][C][=C][C][Branch2][Ring2][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][S][O][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][P][=C][C][=C][Ring2][Ring1][O][O][C][C][=N][N][Ring2][Ring2][=Branch2][Ring2][Ring2][Branch1]
InChI: InChI=1S/C30H37N5O8S/c1-8-10-25-31-18(3)27-29(37)32-28(33-35(25)27)21-16-20(12-14-22(21)41-9-2)44(38,39)34-19-11-13-23(40-7)24(15-19)42-17-26(36)43-30(4,5)6/h11-16,34H,8-10,17H2,1-7H3,(H,32,33,37)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4ccc(OC)c(OCC(=O)OCc5ccccc5)c4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Branch1][#Branch1][C][=C][C][Branch2][Ring2][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][P][O][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2][=C][C][=C][Ring2][Ring1][=C][O][C][C][=N][N][Ring2][Ring2][N][Ring2][Ring2][Branch2]
InChI: InChI=1S/C33H35N5O8S/c1-5-10-29-34-21(3)31-33(40)35-32(36-38(29)31)25-18-24(14-16-26(25)44-6-2)47(41,42)37-23-13-15-27(43-4)28(17-23)45-20-30(39)46-19-22-11-8-7-9-12-22/h7-9,11-18,37H,5-6,10,19-20H2,1-4H3,(H,35,36,40)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4ccc(OC)c(OCCOC(C)=O)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][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][#Branch2][O][C][C][O][C][Branch1][C][C][=O][=C][Ring1][#C][=C][C][=C][Ring2][Ring1][=Branch2][O][C][C][=N][N][Ring2][Ring2][#Branch1][Ring2][Ring2][Ring1]
InChI: InChI=1S/C28H33N5O8S/c1-6-8-25-29-17(3)26-28(35)30-27(31-33(25)26)21-16-20(10-12-22(21)39-7-2)42(36,37)32-19-9-11-23(38-5)24(15-19)41-14-13-40-18(4)34/h9-12,15-16,32H,6-8,13-14H2,1-5H3,(H,30,31,35)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4ccc(OC)c(OC(C)C)c4)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][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][#Branch1][O][C][Branch1][C][C][C][=C][Ring1][N][=C][C][=C][Ring2][Ring1][=Branch1][O][C][C][=N][N][Ring2][Ring2][Ring2][Ring2][Ring1][S]
InChI: InChI=1S/C27H33N5O6S/c1-7-9-24-28-17(5)25-27(33)29-26(30-32(24)25)20-15-19(11-13-21(20)37-8-2)39(34,35)31-18-10-12-22(36-6)23(14-18)38-16(3)4/h10-16,31H,7-9H2,1-6H3,(H,29,30,33)
SMILES: CCCCN(CC)C(=O)COc1cc(NS(=O)(=O)c2ccc(OCC)c(-c3nn4c(CCC)nc(C)c4c(=O)[nH]3)c2)ccc1OC
SELFIES: [C][C][C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][O][C][=C][C][Branch2][Branch1][C][N][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][=C][C][=C][Ring2][Ring1][P][O][C]
InChI: InChI=1S/C32H42N6O7S/c1-7-11-17-37(9-3)29(39)20-45-27-18-22(13-15-26(27)43-6)36-46(41,42)23-14-16-25(44-10-4)24(19-23)31-34-32(40)30-21(5)33-28(12-8-2)38(30)35-31/h13-16,18-19,36H,7-12,17,20H2,1-6H3,(H,34,35,40)