EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(C)N4CCCCC4)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][N][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring1][P][O][C][C][=N][N][Ring2][Ring1][#C][Ring2][Ring1][O]
InChI: InChI=1S/C23H32N6O4S/c1-5-10-20-24-16(3)21-23(30)25-22(26-29(20)21)18-15-17(11-12-19(18)33-6-2)34(31,32)27(4)28-13-8-7-9-14-28/h11-12,15H,5-10,13-14H2,1-4H3,(H,25,26,30)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCCCC4CO)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][C][C][C][Ring1][=Branch1][C][O][=C][C][=C][Ring1][P][O][C][C][=N][N][Ring2][Ring1][#C][Ring2][Ring1][O]
InChI: InChI=1S/C23H31N5O5S/c1-4-8-20-24-15(3)21-23(30)25-22(26-28(20)21)18-13-17(10-11-19(18)33-5-2)34(31,32)27-12-7-6-9-16(27)14-29/h10-11,13,16,29H,4-9,12,14H2,1-3H3,(H,25,26,30)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCCC(O)C4)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][C][C][Branch1][C][O][C][Ring1][#Branch1][=C][C][=C][Ring1][S][O][C][C][=N][N][Ring2][Ring1][=C][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C22H29N5O5S/c1-4-7-19-23-14(3)20-22(29)24-21(25-27(19)20)17-12-16(9-10-18(17)32-5-2)33(30,31)26-11-6-8-15(28)13-26/h9-10,12,15,28H,4-8,11,13H2,1-3H3,(H,24,25,29)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCCCC4CCO)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][C][C][C][Ring1][=Branch1][C][C][O][=C][C][=C][Ring2][Ring1][C][O][C][C][=N][N][Ring2][Ring1][S][Ring2][Ring1][N]
InChI: InChI=1S/C24H33N5O5S/c1-4-8-21-25-16(3)22-24(31)26-23(27-29(21)22)19-15-18(10-11-20(19)34-5-2)35(32,33)28-13-7-6-9-17(28)12-14-30/h10-11,15,17,30H,4-9,12-14H2,1-3H3,(H,26,27,31)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCCC(CO)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][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][Ring1][C][O][C][Ring1][Branch2][=C][C][=C][Ring1][P][O][C][C][=N][N][Ring2][Ring1][#C][Ring2][Ring1][O]
InChI: InChI=1S/C23H31N5O5S/c1-4-7-20-24-15(3)21-23(30)25-22(26-28(20)21)18-12-17(9-10-19(18)33-5-2)34(31,32)27-11-6-8-16(13-27)14-29/h9-10,12,16,29H,4-8,11,13-14H2,1-3H3,(H,25,26,30)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCC(O)C4)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][C][Branch1][C][O][C][Ring1][=Branch1][=C][C][=C][Ring1][#C][O][C][C][=N][N][Ring2][Ring1][=N][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C21H27N5O5S/c1-4-6-18-22-13(3)19-21(28)23-20(24-26(18)19)16-11-15(7-8-17(16)31-5-2)32(29,30)25-10-9-14(27)12-25/h7-8,11,14,27H,4-6,9-10,12H2,1-3H3,(H,23,24,28)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CCO)CCc4ccccc4)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][Ring2][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][Ring1][Ring2][Ring1][#C]
InChI: InChI=1S/C27H33N5O5S/c1-4-9-24-28-19(3)25-27(34)29-26(30-32(24)25)22-18-21(12-13-23(22)37-5-2)38(35,36)31(16-17-33)15-14-20-10-7-6-8-11-20/h6-8,10-13,18,33H,4-5,9,14-17H2,1-3H3,(H,29,30,34)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(Cc4ccccc4)CC(C)O)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][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][C][O][=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)22-15-21(13-14-23(22)37-6-2)38(35,36)31(16-18(3)33)17-20-11-8-7-9-12-20/h7-9,11-15,18,33H,5-6,10,16-17H2,1-4H3,(H,29,30,34)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CCO)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][Branch1][Ring2][C][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/c1-4-9-22-26-17(3)23-25(32)27-24(28-30(22)23)20-16-19(12-13-21(20)35-5-2)36(33,34)29(14-15-31)18-10-7-6-8-11-18/h6-8,10-13,16,31H,4-5,9,14-15H2,1-3H3,(H,27,28,32)
SMILES: CCCCN(CC(C)O)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][Branch1][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/c1-6-9-13-28(15-16(4)30)35(32,33)18-11-12-20(34-8-3)19(14-18)23-26-24(31)22-17(5)25-21(10-7-2)29(22)27-23/h11-12,14,16,30H,6-10,13,15H2,1-5H3,(H,26,27,31)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCC(CO)(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][Branch1][Ring1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C][=C][C][=C][Ring2][Ring1][#Branch1][O][C][C][=N][N][Ring2][Ring2][Branch1][Ring2][Ring1][P]
InChI: InChI=1S/C29H35N5O5S/c1-4-9-25-30-20(3)26-28(36)31-27(32-34(25)26)23-18-22(12-13-24(23)39-5-2)40(37,38)33-16-14-29(19-35,15-17-33)21-10-7-6-8-11-21/h6-8,10-13,18,35H,4-5,9,14-17,19H2,1-3H3,(H,31,32,36)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CCCOC)Cc4cc(OC)c(OC)c(OC)c4)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][=Branch1][C][C][C][O][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][=C][C][=C][Ring2][Ring1][N][O][C][C][=N][N][Ring2][Ring2][#Branch2][Ring2][Ring2][=Branch1]
InChI: InChI=1S/C31H41N5O8S/c1-8-11-27-32-20(3)28-31(37)33-30(34-36(27)28)23-18-22(12-13-24(23)44-9-2)45(38,39)35(14-10-15-40-4)19-21-16-25(41-5)29(43-7)26(17-21)42-6/h12-13,16-18H,8-11,14-15,19H2,1-7H3,(H,33,34,37)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(C)CC(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][C][C][C][C][Branch1][C][O][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/C26H31N5O5S/c1-5-10-23-27-17(3)24-26(33)28-25(29-31(23)24)20-15-19(13-14-22(20)36-6-2)37(34,35)30(4)16-21(32)18-11-8-7-9-12-18/h7-9,11-15,21,32H,5-6,10,16H2,1-4H3,(H,28,29,33)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CCO)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][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][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/C26H31N5O5S/c1-4-9-23-27-18(3)24-26(33)28-25(29-31(23)24)21-16-20(12-13-22(21)36-5-2)37(34,35)30(14-15-32)17-19-10-7-6-8-11-19/h6-8,10-13,16,32H,4-5,9,14-15,17H2,1-3H3,(H,28,29,33)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C(=O)COC(C)=O)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][C][C][N][Branch1][N][C][=Branch1][C][=O][C][O][C][Branch1][C][C][=O][C][C][Ring1][=N][=C][C][=C][Ring2][Ring1][=Branch1][O][C][C][=N][N][Ring2][Ring2][Ring2][Ring2][Ring1][S]
InChI: InChI=1S/C25H32N6O7S/c1-5-7-21-26-16(3)23-25(34)27-24(28-31(21)23)19-14-18(8-9-20(19)37-6-2)39(35,36)30-12-10-29(11-13-30)22(33)15-38-17(4)32/h8-9,14H,5-7,10-13,15H2,1-4H3,(H,27,28,34)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCC(c5ccccn5)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][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring1][O][=C][C][=C][Ring2][Ring1][Ring2][O][C][C][=N][N][Ring2][Ring2][C][Ring2][Ring1][=C]
InChI: InChI=1S/C26H30N6O4S/c1-4-8-23-28-17(3)24-26(33)29-25(30-32(23)24)20-15-19(10-11-22(20)36-5-2)37(34,35)31-14-12-18(16-31)21-9-6-7-13-27-21/h6-7,9-11,13,15,18H,4-5,8,12,14,16H2,1-3H3,(H,29,30,33)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCC(=NOC)CC4)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][Ring2][=N][O][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/C23H30N6O5S/c1-5-7-20-24-15(3)21-23(30)25-22(26-29(20)21)18-14-17(8-9-19(18)34-6-2)35(31,32)28-12-10-16(11-13-28)27-33-4/h8-9,14H,5-7,10-13H2,1-4H3,(H,25,26,30)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCC(=NO)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][=N][O][C][C][Ring1][Branch2][=C][C][=C][Ring1][P][O][C][C][=N][N][Ring2][Ring1][#C][Ring2][Ring1][O]
InChI: InChI=1S/C22H28N6O5S/c1-4-6-19-23-14(3)20-22(29)24-21(25-28(19)20)17-13-16(7-8-18(17)33-5-2)34(31,32)27-11-9-15(26-30)10-12-27/h7-8,13,30H,4-6,9-12H2,1-3H3,(H,24,25,29)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(c5ccccc5)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][=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/C27H32N6O4S/c1-4-9-24-28-19(3)25-27(34)29-26(30-33(24)25)22-18-21(12-13-23(22)37-5-2)38(35,36)32-16-14-31(15-17-32)20-10-7-6-8-11-20/h6-8,10-13,18H,4-5,9,14-17H2,1-3H3,(H,29,30,34)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CC)CCN(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][Ring1][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(4)21-23(30)25-22(26-29(20)21)18-15-17(11-12-19(18)33-9-3)34(31,32)28(8-2)14-13-27(5)6/h11-12,15H,7-10,13-14H2,1-6H3,(H,25,26,30)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(c5ccccn5)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][=C][C][=C][C][=N][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/C26H31N7O4S/c1-4-8-23-28-18(3)24-26(34)29-25(30-33(23)24)20-17-19(10-11-21(20)37-5-2)38(35,36)32-15-13-31(14-16-32)22-9-6-7-12-27-22/h6-7,9-12,17H,4-5,8,13-16H2,1-3H3,(H,29,30,34)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(C)CCN(CC)CC)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][C][C][C][C][N][Branch1][Ring1][C][C][C][C][=C][C][=C][Ring2][Ring1][C][O][C][C][=N][N][Ring2][Ring1][S][Ring2][Ring1][N]
InChI: InChI=1S/C24H36N6O4S/c1-7-11-21-25-17(5)22-24(31)26-23(27-30(21)22)19-16-18(12-13-20(19)34-10-4)35(32,33)28(6)14-15-29(8-2)9-3/h12-13,16H,7-11,14-15H2,1-6H3,(H,26,27,31)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CCN(CC)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][N][C][=C][C][Branch2][Ring1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch2][C][C][N][Branch1][Ring1][C][C][C][C][C][C][N][Branch1][Ring1][C][C][C][C][=C][C][=C][Ring2][Ring1][Branch2][O][C][C][=N][N][Ring2][Ring2][=Branch1][Ring2][Ring2][C]
InChI: InChI=1S/C29H47N7O4S/c1-8-14-26-30-22(7)27-29(37)31-28(32-36(26)27)24-21-23(15-16-25(24)40-13-6)41(38,39)35(19-17-33(9-2)10-3)20-18-34(11-4)12-5/h15-16,21H,8-14,17-20H2,1-7H3,(H,31,32,37)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCCN(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][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][Branch1][C][C][C][C][Ring1][Branch2][=C][C][=C][Ring1][P][O][C][C][=N][N][Ring2][Ring1][#C][Ring2][Ring1][O]
InChI: InChI=1S/C23H32N6O4S/c1-5-8-20-24-16(3)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-6-2)34(31,32)28-12-7-11-27(4)13-14-28/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CCN(CC)CC)c4ccccc4)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][N][Branch1][Ring1][C][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/C29H38N6O4S/c1-6-13-26-30-21(5)27-29(36)31-28(32-35(26)27)24-20-23(16-17-25(24)39-9-4)40(37,38)34(19-18-33(7-2)8-3)22-14-11-10-12-15-22/h10-12,14-17,20H,6-9,13,18-19H2,1-5H3,(H,31,32,36)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCN4CCN=C4C)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][N][=C][Ring1][Branch1][C][=C][C][=C][Ring2][Ring1][C][O][C][C][=N][N][Ring2][Ring1][S][Ring2][Ring1][N]
InChI: InChI=1S/C23H31N7O4S/c1-5-7-20-26-15(3)21-23(31)27-22(28-30(20)21)18-14-17(8-9-19(18)34-6-2)35(32,33)25-11-13-29-12-10-24-16(29)4/h8-9,14,25H,5-7,10-13H2,1-4H3,(H,27,28,31)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCCOC(C)C)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][C][O][C][Branch1][C][C][C][=C][C][=C][Ring1][P][O][C][C][=N][N][Ring2][Ring1][#C][Ring2][Ring1][O]
InChI: InChI=1S/C23H33N5O5S/c1-6-9-20-25-16(5)21-23(29)26-22(27-28(20)21)18-14-17(10-11-19(18)32-7-2)34(30,31)24-12-8-13-33-15(3)4/h10-11,14-15,24H,6-9,12-13H2,1-5H3,(H,26,27,29)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCCCCO)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][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][O][=C][C][=C][Ring1][S][O][C][C][=N][N][Ring2][Ring1][=C][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C22H31N5O5S/c1-4-9-19-24-15(3)20-22(29)25-21(26-27(19)20)17-14-16(10-11-18(17)32-5-2)33(30,31)23-12-7-6-8-13-28/h10-11,14,23,28H,4-9,12-13H2,1-3H3,(H,25,26,29)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N[C@@H](C)[C@H](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][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][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/C26H31N5O5S/c1-5-10-22-27-16(3)23-26(33)28-25(29-31(22)23)20-15-19(13-14-21(20)36-6-2)37(34,35)30-17(4)24(32)18-11-8-7-9-12-18/h7-9,11-15,17,24,30,32H,5-6,10H2,1-4H3,(H,28,29,33)/t17-,24-/m0/s1
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NC4CCN(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][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][Branch1][Ring1][C][=O][C][Ring1][#Branch1][=C][C][=C][Ring1][P][O][C][C][=N][N][Ring2][Ring1][#C][Ring2][Ring1][O]
InChI: InChI=1S/C22H28N6O5S/c1-4-6-19-23-14(3)20-22(30)24-21(25-28(19)20)17-11-16(7-8-18(17)33-5-2)34(31,32)26-15-9-10-27(12-15)13-29/h7-8,11,13,15,26H,4-6,9-10,12H2,1-3H3,(H,24,25,30)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4ccc(CCO)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][Branch1][Ring2][C][C][O][C][=C][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][Ring1][O][C][C][=N][N][Ring2][Ring1][P][Ring2][Ring1][=N]
InChI: InChI=1S/C25H29N5O5S/c1-4-6-22-26-16(3)23-25(32)27-24(28-30(22)23)20-15-19(11-12-21(20)35-5-2)36(33,34)29-18-9-7-17(8-10-18)13-14-31/h7-12,15,29,31H,4-6,13-14H2,1-3H3,(H,27,28,32)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4ccc(CN(CC)CCO)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][=C][Branch1][#Branch2][C][N][Branch1][Ring1][C][C][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/C28H36N6O5S/c1-5-8-25-29-19(4)26-28(36)30-27(31-34(25)26)23-17-22(13-14-24(23)39-7-3)40(37,38)32-21-11-9-20(10-12-21)18-33(6-2)15-16-35/h9-14,17,32,35H,5-8,15-16,18H2,1-4H3,(H,30,31,36)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4ccc(CN(C)CCO)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][Branch1][C][C][C][C][O][C][=C][Ring1][N][=C][C][=C][Ring2][Ring1][=Branch1][O][C][C][=N][N][Ring2][Ring2][Ring2][Ring2][Ring1][S]
InChI: InChI=1S/C27H34N6O5S/c1-5-7-24-28-18(3)25-27(35)29-26(30-33(24)25)22-16-21(12-13-23(22)38-6-2)39(36,37)31-20-10-8-19(9-11-20)17-32(4)14-15-34/h8-13,16,31,34H,5-7,14-15,17H2,1-4H3,(H,29,30,35)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4ccc(CN(CCC)CCO)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][C][=C][C][=C][Branch1][O][C][N][Branch1][Ring2][C][C][C][C][C][O][C][=C][Ring1][=C][=C][C][=C][Ring2][Ring1][Branch2][O][C][C][=N][N][Ring2][Ring2][=Branch1][Ring2][Ring2][C]
InChI: InChI=1S/C29H38N6O5S/c1-5-8-26-30-20(4)27-29(37)31-28(32-35(26)27)24-18-23(13-14-25(24)40-7-3)41(38,39)33-22-11-9-21(10-12-22)19-34(15-6-2)16-17-36/h9-14,18,33,36H,5-8,15-17,19H2,1-4H3,(H,31,32,37)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4ccc(CN5CCN(C(=O)OCC)CC5)cc4)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][Branch2][Ring1][Ring1][C][N][C][C][N][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][C][Ring1][O][C][=C][Ring2][Ring1][C][=C][C][=C][Ring2][Ring1][N][O][C][C][=N][N][Ring2][Ring2][#Branch2][Ring2][Ring2][=Branch1]
InChI: InChI=1S/C31H39N7O6S/c1-5-8-27-32-21(4)28-30(39)33-29(34-38(27)28)25-19-24(13-14-26(25)43-6-2)45(41,42)35-23-11-9-22(10-12-23)20-36-15-17-37(18-16-36)31(40)44-7-3/h9-14,19,35H,5-8,15-18,20H2,1-4H3,(H,33,34,39)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4cccc(CN(C)CCO)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][Branch1][C][C][C][C][O][=C][Ring1][N][=C][C][=C][Ring2][Ring1][=Branch1][O][C][C][=N][N][Ring2][Ring2][Ring2][Ring2][Ring1][S]
InChI: InChI=1S/C27H34N6O5S/c1-5-8-24-28-18(3)25-27(35)29-26(30-33(24)25)22-16-21(11-12-23(22)38-6-2)39(36,37)31-20-10-7-9-19(15-20)17-32(4)13-14-34/h7,9-12,15-16,31,34H,5-6,8,13-14,17H2,1-4H3,(H,29,30,35)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4cccc(CN(CC)CCO)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][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/C28H36N6O5S/c1-5-9-25-29-19(4)26-28(36)30-27(31-34(25)26)23-17-22(12-13-24(23)39-7-3)40(37,38)32-21-11-8-10-20(16-21)18-33(6-2)14-15-35/h8,10-13,16-17,32,35H,5-7,9,14-15,18H2,1-4H3,(H,30,31,36)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCC(C)OC)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][C][C][C][Branch1][C][C][O][C][=C][C][=C][Ring1][S][O][C][C][=N][N][Ring2][Ring1][=C][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C22H31N5O5S/c1-6-8-19-24-15(4)20-22(28)25-21(26-27(19)20)17-13-16(9-10-18(17)32-7-2)33(29,30)23-12-11-14(3)31-5/h9-10,13-14,23H,6-8,11-12H2,1-5H3,(H,25,26,28)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCC(C)OCC)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][C][Branch1][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/c1-6-9-20-25-16(5)21-23(29)26-22(27-28(20)21)18-14-17(10-11-19(18)33-8-3)34(30,31)24-13-12-15(4)32-7-2/h10-11,14-15,24H,6-9,12-13H2,1-5H3,(H,26,27,29)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCCOCC(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][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][O][C][C][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][C][O][C][C][=N][N][Ring2][Ring1][S][Ring2][Ring1][N]
InChI: InChI=1S/C24H35N5O5S/c1-6-9-21-26-17(5)22-24(30)27-23(28-29(21)22)19-14-18(10-11-20(19)34-7-2)35(31,32)25-12-8-13-33-15-16(3)4/h10-11,14,16,25H,6-9,12-13,15H2,1-5H3,(H,27,28,30)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCCn4nccc4C)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][C][C][C][N][N][=C][C][=C][Ring1][Branch1][C][=C][C][=C][Ring2][Ring1][Ring1][O][C][C][=N][N][Ring2][Ring1][P][Ring2][Ring1][=N]
InChI: InChI=1S/C24H31N7O4S/c1-5-8-21-27-17(4)22-24(32)28-23(29-31(21)22)19-15-18(9-10-20(19)35-6-2)36(33,34)26-12-7-14-30-16(3)11-13-25-30/h9-11,13,15,26H,5-8,12,14H2,1-4H3,(H,28,29,32)