EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C(C)=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][N][Branch1][=Branch1][C][Branch1][C][C][=O][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(31)25-22(26-29(20)21)18-14-17(8-9-19(18)34-6-2)35(32,33)28-12-10-27(11-13-28)16(4)30/h8-9,14H,5-7,10-13H2,1-4H3,(H,25,26,31)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C=O)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][N][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/C22H28N6O5S/c1-4-6-19-23-15(3)20-22(30)24-21(25-28(19)20)17-13-16(7-8-18(17)33-5-2)34(31,32)27-11-9-26(14-29)10-12-27/h7-8,13-14H,4-6,9-12H2,1-3H3,(H,24,25,30)
SMILES: CCCC[n+]1[cH-]/c(=N\S(=O)(=O)c2ccc(OCC)c(-c3nn4c(CCC)nc(C)c4c(=O)[nH]3)c2)on1
SELFIES: [C][C][C][C][N+1][CH1-1][/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][O][N][=Ring2][Ring1][S]
InChI: InChI=1S/C23H29N7O5S/c1-5-8-12-29-14-20(35-28-29)27-36(32,33)16-10-11-18(34-7-3)17(13-16)22-25-23(31)21-15(4)24-19(9-6-2)30(21)26-22/h10-11,13-14H,5-9,12H2,1-4H3,(H,25,26,31)/b27-20+
SMILES: CCCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nn2c(CCC)nc(C)c2c(=O)[nH]1
SELFIES: [C][C][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][S][C][=N][N][C][Branch1][Ring2][C][C][C][=N][C][Branch1][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][NH1][Ring1][=C]
InChI: InChI=1S/C23H32N6O4S/c1-5-7-20-24-16(3)21-23(30)25-22(26-29(20)21)18-15-17(8-9-19(18)33-14-6-2)34(31,32)28-12-10-27(4)11-13-28/h8-9,15H,5-7,10-14H2,1-4H3,(H,25,26,30)
SMILES: CCCOc1ccc(S(=O)(=O)N2CCC(CO)CC2)cc1-c1nn2c(CCC)nc(C)c2c(=O)[nH]1
SELFIES: [C][C][C][O][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][Ring1][P][C][=N][N][C][Branch1][Ring2][C][C][C][=N][C][Branch1][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][NH1][Ring1][=C]
InChI: InChI=1S/C24H33N5O5S/c1-4-6-21-25-16(3)22-24(31)26-23(27-29(21)22)19-14-18(7-8-20(19)34-13-5-2)35(32,33)28-11-9-17(15-30)10-12-28/h7-8,14,17,30H,4-6,9-13,15H2,1-3H3,(H,26,27,31)
SMILES: CCCOc1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1-c1nn2c(CCC)nc(C)c2c(=O)[nH]1
SELFIES: [C][C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][Ring2][C][C][O][C][C][Ring1][=Branch2][C][=C][Ring2][Ring1][C][C][=N][N][C][Branch1][Ring2][C][C][C][=N][C][Branch1][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][NH1][Ring1][=C]
InChI: InChI=1S/C24H34N6O5S/c1-4-6-21-25-17(3)22-24(32)26-23(27-30(21)22)19-16-18(7-8-20(19)35-15-5-2)36(33,34)29-11-9-28(10-12-29)13-14-31/h7-8,16,31H,4-6,9-15H2,1-3H3,(H,26,27,32)
SMILES: CCCOc1ccc(S(=O)(=O)NC2CCS(=O)(=O)C2)cc1-c1nn2c(CCC)nc(C)c2c(=O)[nH]1
SELFIES: [C][C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1][C][=C][Ring1][P][C][=N][N][C][Branch1][Ring2][C][C][C][=N][C][Branch1][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][NH1][Ring1][=C]
InChI: InChI=1S/C22H29N5O6S2/c1-4-6-19-23-14(3)20-22(28)24-21(25-27(19)20)17-12-16(7-8-18(17)33-10-5-2)35(31,32)26-15-9-11-34(29,30)13-15/h7-8,12,15,26H,4-6,9-11,13H2,1-3H3,(H,24,25,28)
SMILES: CCCOc1ccc(S(=O)(=O)N(C)CCN(C)C)cc1-c1nn2c(CCC)nc(C)c2c(=O)[nH]1
SELFIES: [C][C][C][O][C][=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][Ring1][S][C][=N][N][C][Branch1][Ring2][C][C][C][=N][C][Branch1][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][NH1][Ring1][=C]
InChI: InChI=1S/C23H34N6O4S/c1-7-9-20-24-16(3)21-23(30)25-22(26-29(20)21)18-15-17(10-11-19(18)33-14-8-2)34(31,32)28(6)13-12-27(4)5/h10-11,15H,7-9,12-14H2,1-6H3,(H,25,26,30)
SMILES: CCCOc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1-c1nn2c(CCC)nc(C)c2c(=O)[nH]1
SELFIES: [C][C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1][C][=N][N][C][Branch1][Ring2][C][C][C][=N][C][Branch1][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][NH1][Ring1][=C]
InChI: InChI=1S/C25H36N6O5S/c1-4-7-22-27-18(3)23-25(32)28-24(29-31(22)23)20-17-19(8-9-21(20)36-14-5-2)37(33,34)26-10-6-11-30-12-15-35-16-13-30/h8-9,17,26H,4-7,10-16H2,1-3H3,(H,28,29,32)
SMILES: CCCOc1ccc(S(=O)(=O)N(CCO)CCO)cc1-c1nn2c(CCC)nc(C)c2c(=O)[nH]1
SELFIES: [C][C][C][O][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][C][O][C][=C][Ring1][S][C][=N][N][C][Branch1][Ring2][C][C][C][=N][C][Branch1][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][NH1][Ring1][=C]
InChI: InChI=1S/C22H31N5O6S/c1-4-6-19-23-15(3)20-22(30)24-21(25-27(19)20)17-14-16(7-8-18(17)33-13-5-2)34(31,32)26(9-11-28)10-12-29/h7-8,14,28-29H,4-6,9-13H2,1-3H3,(H,24,25,30)
SMILES: CCCOc1ccc(S(=O)(=O)NCc2cccc(O)c2)cc1-c1nn2c(CCC)nc(C)c2c(=O)[nH]1
SELFIES: [C][C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C][C][=N][N][C][Branch1][Ring2][C][C][C][=N][C][Branch1][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][NH1][Ring1][=C]
InChI: InChI=1S/C25H29N5O5S/c1-4-7-22-27-16(3)23-25(32)28-24(29-30(22)23)20-14-19(10-11-21(20)35-12-5-2)36(33,34)26-15-17-8-6-9-18(31)13-17/h6,8-11,13-14,26,31H,4-5,7,12,15H2,1-3H3,(H,28,29,32)
SMILES: CCCCOc1ccc(S(=O)(=O)N(CC)CCO)cc1-c1nn2c(CCC)nc(C)c2c(=O)[nH]1
SELFIES: [C][C][C][C][O][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][O][C][=C][Ring1][#C][C][=N][N][C][Branch1][Ring2][C][C][C][=N][C][Branch1][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][NH1][Ring1][=C]
InChI: InChI=1S/C23H33N5O5S/c1-5-8-14-33-19-11-10-17(34(31,32)27(7-3)12-13-29)15-18(19)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: CCCOc1ccc(S(=O)(=O)NCCCOCC)cc1-c1nn2c(CCC)nc(C)c2c(=O)[nH]1
SELFIES: [C][C][C][O][C][=C][C][=C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][O][C][C][C][=C][Ring1][S][C][=N][N][C][Branch1][Ring2][C][C][C][=N][C][Branch1][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][NH1][Ring1][=C]
InChI: InChI=1S/C23H33N5O5S/c1-5-9-20-25-16(4)21-23(29)26-22(27-28(20)21)18-15-17(10-11-19(18)33-13-6-2)34(30,31)24-12-8-14-32-7-3/h10-11,15,24H,5-9,12-14H2,1-4H3,(H,26,27,29)
SMILES: CCCOc1ccc(S(=O)(=O)Nc2ccncc2)cc1-c1nn2c(CCC)nc(C)c2c(=O)[nH]1
SELFIES: [C][C][C][O][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][S][C][=N][N][C][Branch1][Ring2][C][C][C][=N][C][Branch1][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][NH1][Ring1][=C]
InChI: InChI=1S/C23H26N6O4S/c1-4-6-20-25-15(3)21-23(30)26-22(27-29(20)21)18-14-17(7-8-19(18)33-13-5-2)34(31,32)28-16-9-11-24-12-10-16/h7-12,14H,4-6,13H2,1-3H3,(H,24,28)(H,26,27,30)
SMILES: CCCOc1ccc(S(=O)(=O)N(CC)CC)cc1-c1nn2c(CCC)nc(C)c2c(=O)[nH]1
SELFIES: [C][C][C][O][C][=C][C][=C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][C][=C][Ring1][=C][C][=N][N][C][Branch1][Ring2][C][C][C][=N][C][Branch1][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][NH1][Ring1][=C]
InChI: InChI=1S/C22H31N5O4S/c1-6-10-19-23-15(5)20-22(28)24-21(25-27(19)20)17-14-16(11-12-18(17)31-13-7-2)32(29,30)26(8-3)9-4/h11-12,14H,6-10,13H2,1-5H3,(H,24,25,28)
SMILES: CCCOc1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)cc1-c1nn2c(CCC)nc(C)c2c(=O)[nH]1
SELFIES: [C][C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][Ring1][=Branch2][C][=C][Ring2][Ring1][C][C][=N][N][C][Branch1][Ring2][C][C][C][=N][C][Branch1][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][NH1][Ring1][=C]
InChI: InChI=1S/C24H31N5O6S/c1-4-6-20-25-15(3)21-23(30)26-22(27-29(20)21)18-14-17(7-8-19(18)35-13-5-2)36(33,34)28-11-9-16(10-12-28)24(31)32/h7-8,14,16H,4-6,9-13H2,1-3H3,(H,31,32)(H,26,27,30)
SMILES: CCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1nn2c(CCC)nc(C)c2c(=O)[nH]1
SELFIES: [C][C][C][O][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C][C][=N][N][C][Branch1][Ring2][C][C][C][=N][C][Branch1][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][NH1][Ring1][=C]
InChI: InChI=1S/C22H29N5O5S/c1-4-6-19-23-15(3)20-22(28)24-21(25-27(19)20)17-14-16(7-8-18(17)32-11-5-2)33(29,30)26-9-12-31-13-10-26/h7-8,14H,4-6,9-13H2,1-3H3,(H,24,25,28)
SMILES: CCCOc1ccc(S(=O)(=O)N(C)CCO)cc1-c1nn2c(CCC)nc(C)c2c(=O)[nH]1
SELFIES: [C][C][C][O][C][=C][C][=C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][O][C][=C][Ring1][=C][C][=N][N][C][Branch1][Ring2][C][C][C][=N][C][Branch1][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][NH1][Ring1][=C]
InChI: InChI=1S/C21H29N5O5S/c1-5-7-18-22-14(3)19-21(28)23-20(24-26(18)19)16-13-15(8-9-17(16)31-12-6-2)32(29,30)25(4)10-11-27/h8-9,13,27H,5-7,10-12H2,1-4H3,(H,23,24,28)
SMILES: CCCOc1ccc(S(=O)(=O)N(CCC)CCO)cc1-c1nn2c(CCC)nc(C)c2c(=O)[nH]1
SELFIES: [C][C][C][O][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][Ring2][C][C][C][C][C][O][C][=C][Ring1][S][C][=N][N][C][Branch1][Ring2][C][C][C][=N][C][Branch1][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][NH1][Ring1][=C]
InChI: InChI=1S/C23H33N5O5S/c1-5-8-20-24-16(4)21-23(30)25-22(26-28(20)21)18-15-17(9-10-19(18)33-14-7-3)34(31,32)27(11-6-2)12-13-29/h9-10,15,29H,5-8,11-14H2,1-4H3,(H,25,26,30)
SMILES: CCCOc1ccc(S(=O)(=O)N(C)CCc2ccc(OC)c(OC)c2)cc1-c1nn2c(CCC)nc(C)c2c(=O)[nH]1
SELFIES: [C][C][C][O][C][=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][Ring2][Ring1][#Branch1][C][=N][N][C][Branch1][Ring2][C][C][C][=N][C][Branch1][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][NH1][Ring1][=C]
InChI: InChI=1S/C29H37N5O6S/c1-7-9-26-30-19(3)27-29(35)31-28(32-34(26)27)22-18-21(11-13-23(22)40-16-8-2)41(36,37)33(4)15-14-20-10-12-24(38-5)25(17-20)39-6/h10-13,17-18H,7-9,14-16H2,1-6H3,(H,31,32,35)
SMILES: C=CCN(CCO)S(=O)(=O)c1ccc(OCCC)c(-c2nn3c(CCC)nc(C)c3c(=O)[nH]2)c1
SELFIES: [C][=C][C][N][Branch1][Ring2][C][C][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][O][C][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][Branch2]
InChI: InChI=1S/C23H31N5O5S/c1-5-8-20-24-16(4)21-23(30)25-22(26-28(20)21)18-15-17(9-10-19(18)33-14-7-3)34(31,32)27(11-6-2)12-13-29/h6,9-10,15,29H,2,5,7-8,11-14H2,1,3-4H3,(H,25,26,30)
SMILES: C=CCN(C1CCCC1)S(=O)(=O)c1ccc(OCCC)c(-c2nn3c(CCC)nc(C)c3c(=O)[nH]2)c1
SELFIES: [C][=C][C][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][O][C][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][Branch2]
InChI: InChI=1S/C26H35N5O4S/c1-5-10-23-27-18(4)24-26(32)28-25(29-31(23)24)21-17-20(13-14-22(21)35-16-7-3)36(33,34)30(15-6-2)19-11-8-9-12-19/h6,13-14,17,19H,2,5,7-12,15-16H2,1,3-4H3,(H,28,29,32)
SMILES: C=CCN(CC)S(=O)(=O)c1ccc(OCCC)c(-c2nn3c(CCC)nc(C)c3c(=O)[nH]2)c1
SELFIES: [C][=C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][O][C][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][Branch2]
InChI: InChI=1S/C23H31N5O4S/c1-6-10-20-24-16(5)21-23(29)25-22(26-28(20)21)18-15-17(11-12-19(18)32-14-8-3)33(30,31)27(9-4)13-7-2/h7,11-12,15H,2,6,8-10,13-14H2,1,3-5H3,(H,25,26,29)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)c(OC)cc3OCC)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][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][Branch1][Ring1][O][C][C][=C][Ring2][Ring1][C][O][C][C][=N][N][Ring2][Ring1][S][Ring2][Ring1][N]
InChI: InChI=1S/C23H32N6O5S/c1-6-8-20-24-15(3)21-23(30)25-22(26-29(20)21)16-13-19(18(33-5)14-17(16)34-7-2)35(31,32)28-11-9-27(4)10-12-28/h13-14H,6-12H2,1-5H3,(H,25,26,30)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(CCO)CC4)c(OC)cc3OCC)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][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][Ring2][C][C][O][C][C][Ring1][=Branch2][=C][Branch1][Ring1][O][C][C][=C][Ring2][Ring1][Ring2][O][C][C][=N][N][Ring2][Ring2][C][Ring2][Ring1][=C]
InChI: InChI=1S/C24H34N6O6S/c1-5-7-21-25-16(3)22-24(32)26-23(27-30(21)22)17-14-20(19(35-4)15-18(17)36-6-2)37(33,34)29-10-8-28(9-11-29)12-13-31/h14-15,31H,5-13H2,1-4H3,(H,26,27,32)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CC)CCO)c(OC)cc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring1][P][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][O][=C][Branch1][Ring1][O][C][C][=C][Ring1][P][O][C][C][=N][N][Ring2][Ring1][#C][Ring2][Ring1][O]
InChI: InChI=1S/C22H31N5O6S/c1-6-9-19-23-14(4)20-22(29)24-21(25-27(19)20)15-12-18(17(32-5)13-16(15)33-8-3)34(30,31)26(7-2)10-11-28/h12-13,28H,6-11H2,1-5H3,(H,24,25,29)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4ccc(OCC)cc4)c(OC)cc3OCC)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][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring2][O][C][C][C][=C][Ring1][=Branch2][=C][Branch1][Ring1][O][C][C][=C][Ring2][Ring1][Branch1][O][C][C][=N][N][Ring2][Ring2][Ring1][Ring2][Ring1][#C]
InChI: InChI=1S/C26H31N5O6S/c1-6-9-23-27-16(4)24-26(32)28-25(29-31(23)24)19-14-22(21(35-5)15-20(19)37-8-3)38(33,34)30-17-10-12-18(13-11-17)36-7-2/h10-15,30H,6-9H2,1-5H3,(H,28,29,32)
SMILES: CCCc1nc(CC)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CC)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][S][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][O][=C][C][=C][Ring1][#C][O][C][C][=N][N][Ring2][Ring1][=C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C22H31N5O5S/c1-5-9-19-23-17(6-2)20-22(29)24-21(25-27(19)20)16-14-15(10-11-18(16)32-8-4)33(30,31)26(7-3)12-13-28/h10-11,14,28H,5-9,12-13H2,1-4H3,(H,24,25,29)
SMILES: CCCc1nc(CC)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCOC)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][Ring1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring1][#Branch2][C][=C][C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][=C][C][=C][Ring1][=C][O][C][C][=N][N][Ring2][Ring1][=N][Ring2][Ring1][Branch2]
InChI: InChI=1S/C21H29N5O5S/c1-5-8-18-23-16(6-2)19-21(27)24-20(25-26(18)19)15-13-14(9-10-17(15)31-7-3)32(28,29)22-11-12-30-4/h9-10,13,22H,5-8,11-12H2,1-4H3,(H,24,25,27)
SMILES: CCCc1nc(CC)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CCOC)CCOC)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][Branch1][Branch1][C][C][O][C][C][C][O][C][=C][C][=C][Ring2][Ring1][C][O][C][C][=N][N][Ring2][Ring1][P][Ring2][Ring1][N]
InChI: InChI=1S/C24H35N5O6S/c1-6-9-21-25-19(7-2)22-24(30)26-23(27-29(21)22)18-16-17(10-11-20(18)35-8-3)36(31,32)28(12-14-33-4)13-15-34-5/h10-11,16H,6-9,12-15H2,1-5H3,(H,26,27,30)
SMILES: CCCc1nc(CC)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCC(O)CC4)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][C][C][C][Branch1][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/C23H31N5O5S/c1-4-7-20-24-18(5-2)21-23(30)25-22(26-28(20)21)17-14-16(8-9-19(17)33-6-3)34(31,32)27-12-10-15(29)11-13-27/h8-9,14-15,29H,4-7,10-13H2,1-3H3,(H,25,26,30)
SMILES: CCCc1nc(CC)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCC(CO)CC4)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][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][S][Ring2][Ring1][O]
InChI: InChI=1S/C24H33N5O5S/c1-4-7-21-25-19(5-2)22-24(31)26-23(27-29(21)22)18-14-17(8-9-20(18)34-6-3)35(32,33)28-12-10-16(15-30)11-13-28/h8-9,14,16,30H,4-7,10-13,15H2,1-3H3,(H,26,27,31)
SMILES: CCCc1nc(CC)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(CCO)CC4)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][N][Branch1][Ring2][C][C][O][C][C][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][C][O][C][C][=N][N][Ring2][Ring1][P][Ring2][Ring1][N]
InChI: InChI=1S/C24H34N6O5S/c1-4-7-21-25-19(5-2)22-24(32)26-23(27-30(21)22)18-16-17(8-9-20(18)35-6-3)36(33,34)29-12-10-28(11-13-29)14-15-31/h8-9,16,31H,4-7,10-15H2,1-3H3,(H,26,27,32)
SMILES: CCCc1nc(CC)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCCN4CCOCC4)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][Ring1][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][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Ring1][O][C][C][=N][N][Ring2][Ring2][C][Ring2][Ring1][=N]
InChI: InChI=1S/C25H36N6O5S/c1-4-8-22-27-20(5-2)23-25(32)28-24(29-31(22)23)19-17-18(9-10-21(19)36-6-3)37(33,34)26-11-7-12-30-13-15-35-16-14-30/h9-10,17,26H,4-8,11-16H2,1-3H3,(H,28,29,32)
SMILES: CCCc1nc(CC)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CCC)CCO)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][Ring1][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][Branch1][Ring2][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/C23H33N5O5S/c1-5-9-20-24-18(7-3)21-23(30)25-22(26-28(20)21)17-15-16(10-11-19(17)33-8-4)34(31,32)27(12-6-2)13-14-29/h10-11,15,29H,5-9,12-14H2,1-4H3,(H,25,26,30)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NC(CO)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][C][Branch1][Ring1][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/c1-4-9-23-27-17(3)24-26(33)28-25(29-31(23)24)21-15-20(12-13-22(21)36-5-2)37(34,35)30-19(16-32)14-18-10-7-6-8-11-18/h6-8,10-13,15,19,30,32H,4-5,9,14,16H2,1-3H3,(H,28,29,33)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NC(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][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)NC(CC)CO)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][Branch1][Ring1][C][C][C][O][=C][C][=C][Ring1][#C][O][C][C][=N][N][Ring2][Ring1][=N][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C21H29N5O5S/c1-5-8-18-22-13(4)19-21(28)23-20(24-26(18)19)16-11-15(9-10-17(16)31-7-3)32(29,30)25-14(6-2)12-27/h9-11,14,25,27H,5-8,12H2,1-4H3,(H,23,24,28)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NC(C)(C)CO)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][Branch1][C][C][C][O][=C][C][=C][Ring1][#C][O][C][C][=N][N][Ring2][Ring1][=N][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C21H29N5O5S/c1-6-8-17-22-13(3)18-20(28)23-19(24-26(17)18)15-11-14(9-10-16(15)31-7-2)32(29,30)25-21(4,5)12-27/h9-11,25,27H,6-8,12H2,1-5H3,(H,23,24,28)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCCCO)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring1][O][C][=C][C][Branch1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][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/c1-4-8-18-23-14(3)19-21(28)24-20(25-26(18)19)16-13-15(9-10-17(16)31-5-2)32(29,30)22-11-6-7-12-27/h9-10,13,22,27H,4-8,11-12H2,1-3H3,(H,24,25,28)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NC4COC(C)(C)OC4c4ccccc4)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][O][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Branch2][O][C][C][=N][N][Ring2][Ring2][=Branch1][Ring2][Ring2][C]
InChI: InChI=1S/C29H35N5O6S/c1-6-11-24-30-18(3)25-28(35)31-27(32-34(24)25)21-16-20(14-15-23(21)38-7-2)41(36,37)33-22-17-39-29(4,5)40-26(22)19-12-9-8-10-13-19/h8-10,12-16,22,26,33H,6-7,11,17H2,1-5H3,(H,31,32,35)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NC4CCOC4=O)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][O][C][Ring1][Branch1][=O][=C][C][=C][Ring1][S][O][C][C][=N][N][Ring2][Ring1][=C][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C21H25N5O6S/c1-4-6-17-22-12(3)18-20(27)23-19(24-26(17)18)14-11-13(7-8-16(14)31-5-2)33(29,30)25-15-9-10-32-21(15)28/h7-8,11,15,25H,4-6,9-10H2,1-3H3,(H,23,24,27)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NOC)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring1][Branch2][C][=C][C][Branch1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][O][C][=C][C][=C][Ring1][N][O][C][C][=N][N][Ring2][Ring1][#Branch2][Ring2][Ring1][=Branch1]
InChI: InChI=1S/C18H23N5O5S/c1-5-7-15-19-11(3)16-18(24)20-17(21-23(15)16)13-10-12(29(25,26)22-27-4)8-9-14(13)28-6-2/h8-10,22H,5-7H2,1-4H3,(H,20,21,24)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCC4CCCO4)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][C][C][O][Ring1][Branch1][=C][C][=C][Ring1][S][O][C][C][=N][N][Ring2][Ring1][=C][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C22H29N5O5S/c1-4-7-19-24-14(3)20-22(28)25-21(26-27(19)20)17-12-16(9-10-18(17)31-5-2)33(29,30)23-13-15-8-6-11-32-15/h9-10,12,15,23H,4-8,11,13H2,1-3H3,(H,25,26,28)