EdisonScientific/glyph-datasets huggingface dataset:
SMILES: Cc1cc(-c2cc(C)c(OCC3CO3)c(C)c2)cc(C)c1OCC1CO1
SELFIES: [C][C][=C][C][Branch2][Ring1][Branch2][C][=C][C][Branch1][C][C][=C][Branch1][Branch2][O][C][C][C][O][Ring1][Ring1][C][Branch1][C][C][=C][Ring1][=N][=C][C][Branch1][C][C][=C][Ring2][Ring1][Ring2][O][C][C][C][O][Ring1][Ring1]
InChI: InChI=1S/C22H26O4/c1-13-5-17(6-14(2)21(13)25-11-19-9-23-19)18-7-15(3)22(16(4)8-18)26-12-20-10-24-20/h5-8,19-20H,9-12H2,1-4H3
SMILES: CC(C)(c1ccc(OCC2CO2)cc1)c1ccc(OCC2CO2)cc1
SELFIES: [C][C][Branch1][C][C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][O][C][C][C][O][Ring1][Ring1][C][=C][Ring1][O][C][=C][C][=C][Branch1][Branch2][O][C][C][C][O][Ring1][Ring1][C][=C][Ring1][O]
InChI: InChI=1S/C21H24O4/c1-21(2,15-3-7-17(8-4-15)22-11-19-13-24-19)16-5-9-18(10-6-16)23-12-20-14-25-20/h3-10,19-20H,11-14H2,1-2H3
SMILES: Oc1ccc(Cc2ccc(O)cc2)cc1
SELFIES: [O][C][=C][C][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]
InChI: InChI=1S/C13H12O2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8,14-15H,9H2
SMILES: C=CCc1cc(C(C)(C)c2ccc(O)c(CC=C)c2)ccc1O
SELFIES: [C][=C][C][C][=C][C][Branch2][Ring1][Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring2][C][C][=C][=C][Ring1][#Branch2][=C][C][=C][Ring2][Ring1][Ring1][O]
InChI: InChI=1S/C21H24O2/c1-5-7-15-13-17(9-11-19(15)22)21(3,4)18-10-12-20(23)16(14-18)8-6-2/h5-6,9-14,22-23H,1-2,7-8H2,3-4H3
SMILES: C/C=C/c1ccccc1Oc1ccc(C(=O)c2ccc(Oc3ccccc3/C=C/C)cc2)cc1
SELFIES: [C][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][O][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][=C][/C][C][=C][Ring1][S][C][=C][Ring2][Ring1][Branch2]
InChI: InChI=1S/C31H26O3/c1-3-9-23-11-5-7-13-29(23)33-27-19-15-25(16-20-27)31(32)26-17-21-28(22-18-26)34-30-14-8-6-12-24(30)10-4-2/h3-22H,1-2H3/b9-3+,10-4+
SMILES: C/C=C1\NC(=O)[C@H]2CSSCC/C=C/[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@H](C(C)C)NC1=O
SELFIES: [C][/C][=C][\N][C][=Branch1][C][=O][C@H1][C][S][S][C][C][/C][=C][/C@H1][Branch2][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Ring2][Ring1][Ring2][O][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][Ring2][Ring1][P][=O]
InChI: InChI=1S/C24H36N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15-9-7-8-10-35-36-12-17(22(31)25-16)26-23(32)19(13(2)3)27-18(29)11-15/h6-7,9,13-15,17,19-20H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17-,19-,20+/m1/s1
SMILES: CCCC(=O)NC(C)C(=O)O
SELFIES: [C][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C7H13NO3/c1-3-4-6(9)8-5(2)7(10)11/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11)
SMILES: CCCC(=O)NC(CC)C(=O)O
SELFIES: [C][C][C][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C8H15NO3/c1-3-5-7(10)9-6(4-2)8(11)12/h6H,3-5H2,1-2H3,(H,9,10)(H,11,12)
SMILES: CCOc1ccccc1C#N
SELFIES: [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N]
InChI: InChI=1S/C9H9NO/c1-2-11-9-6-4-3-5-8(9)7-10/h3-6H,2H2,1H3
SMILES: CCOc1ccccc1C(=N)N.Cl
SELFIES: [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=N][N].[Cl]
InChI: InChI=1S/C9H12N2O.ClH/c1-2-12-8-6-4-3-5-7(8)9(10)11;/h3-6H,2H2,1H3,(H3,10,11);1H
SMILES: CCCOc1ccccc1C#N
SELFIES: [C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N]
InChI: InChI=1S/C10H11NO/c1-2-7-12-10-6-4-3-5-9(10)8-11/h3-6H,2,7H2,1H3
SMILES: CCCOc1ccccc1C(=N)N
SELFIES: [C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=N][N]
InChI: InChI=1S/C10H14N2O/c1-2-7-13-9-6-4-3-5-8(9)10(11)12/h3-6H,2,7H2,1H3,(H3,11,12)
SMILES: CCOc1cc(OC)ccc1C#N
SELFIES: [C][C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][#N]
InChI: InChI=1S/C10H11NO2/c1-3-13-10-6-9(12-2)5-4-8(10)7-11/h4-6H,3H2,1-2H3
SMILES: CCOc1cc(OC)ccc1C(=N)N.Cl
SELFIES: [C][C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=N][N].[Cl]
InChI: InChI=1S/C10H14N2O2.ClH/c1-3-14-9-6-7(13-2)4-5-8(9)10(11)12;/h4-6H,3H2,1-2H3,(H3,11,12);1H
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3ccccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=N][N][Ring2][Ring1][Ring2][Ring1][S]
InChI: InChI=1S/C17H20N4O2/c1-4-8-14-18-11(3)15-17(22)19-16(20-21(14)15)12-9-6-7-10-13(12)23-5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H,19,20,22)
SMILES: CCCOc1ccccc1-c1nn2c(CCC)nc(C)c2c(=O)[nH]1
SELFIES: [C][C][C][O][C][=C][C][=C][C][=C][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/C18H22N4O2/c1-4-8-15-19-12(3)16-18(23)20-17(21-22(15)16)13-9-6-7-10-14(13)24-11-5-2/h6-7,9-10H,4-5,8,11H2,1-3H3,(H,20,21,23)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3ccc(OC)cc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch1][S][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][C][=N][N][Ring2][Ring1][=Branch1][Ring2][Ring1][C]
InChI: InChI=1S/C18H22N4O3/c1-5-7-15-19-11(3)16-18(23)20-17(21-22(15)16)13-9-8-12(24-4)10-14(13)25-6-2/h8-10H,5-7H2,1-4H3,(H,20,21,23)
SMILES: CCCc1nc(CC)c2c(=O)[nH]c(-c3ccccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][Ring1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=N][N][Ring2][Ring1][Branch1][Ring1][S]
InChI: InChI=1S/C18H22N4O2/c1-4-9-15-19-13(5-2)16-18(23)20-17(21-22(15)16)12-10-7-8-11-14(12)24-6-3/h7-8,10-11H,4-6,9H2,1-3H3,(H,20,21,23)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Cl)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring1][=Branch1][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][Cl][=C][C][=C][Ring1][#Branch2][O][C][C][=N][N][Ring2][Ring1][Branch2][Ring2][Ring1][Ring2]
InChI: InChI=1S/C17H19ClN4O4S/c1-4-6-14-19-10(3)15-17(23)20-16(21-22(14)15)12-9-11(27(18,24)25)7-8-13(12)26-5-2/h7-9H,4-6H2,1-3H3,(H,20,21,23)
SMILES: CCCOc1ccc(S(=O)(=O)Cl)cc1-c1nn2c(CCC)nc(C)c2c(=O)[nH]1
SELFIES: [C][C][C][O][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][Cl][C][=C][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]
InChI: InChI=1S/C18H21ClN4O4S/c1-4-6-15-20-11(3)16-18(24)21-17(22-23(15)16)13-10-12(28(19,25)26)7-8-14(13)27-9-5-2/h7-8,10H,4-6,9H2,1-3H3,(H,21,22,24)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Cl)c(OC)cc3OCC)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][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][Cl][=C][Branch1][Ring1][O][C][C][=C][Ring1][N][O][C][C][=N][N][Ring2][Ring1][#Branch2][Ring2][Ring1][=Branch1]
InChI: InChI=1S/C18H21ClN4O5S/c1-5-7-15-20-10(3)16-18(24)21-17(22-23(15)16)11-8-14(29(19,25)26)13(27-4)9-12(11)28-6-2/h8-9H,5-7H2,1-4H3,(H,21,22,24)
SMILES: CCCc1nc(CC)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Cl)ccc3OCC)nn12
SELFIES: [C][C][C][C][=N][C][Branch1][Ring1][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring1][=Branch1][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][Cl][=C][C][=C][Ring1][#Branch2][O][C][C][=N][N][Ring2][Ring1][=Branch2][Ring2][Ring1][Ring2]
InChI: InChI=1S/C18H21ClN4O4S/c1-4-7-15-20-13(5-2)16-18(24)21-17(22-23(15)16)12-10-11(28(19,25)26)8-9-14(12)27-6-3/h8-10H,4-7H2,1-3H3,(H,21,22,24)
SMILES: Cc1c(C(=O)Cl)no[n+]1[O-]
SELFIES: [C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][Cl][=N][O][N+1][=Ring1][Branch2][O-1]
InChI: InChI=1S/C4H3ClN2O3/c1-2-3(4(5)8)6-10-7(2)9/h1H3
SMILES: Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)no[n+]1[O-]
SELFIES: [C][C][C][Branch2][Ring1][N][C][=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][=N][O][N+1][=Ring2][Ring1][Ring2][O-1]
InChI: InChI=1S/C13H20N4O5/c1-9-10(14-22-17(9)20)11(18)15-5-7-16(8-6-15)12(19)21-13(2,3)4/h5-8H2,1-4H3
SMILES: Cc1c(C(=O)N2CC[NH2+]CC2)no[n+]1[O-].O=C([O-])C(F)(F)F
SELFIES: [C][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][NH2+1][C][C][Ring1][=Branch1][=N][O][N+1][=Ring1][=N][O-1].[O][=C][Branch1][C][O-1][C][Branch1][C][F][Branch1][C][F][F]
InChI: InChI=1S/C8H12N4O3.C2HF3O2/c1-6-7(10-15-12(6)14)8(13)11-4-2-9-3-5-11;3-2(4,5)1(6)7/h9H,2-5H2,1H3;(H,6,7)
SMILES: CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nn2c(C)nc(C)c2c(=O)[nH]1
SELFIES: [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][C][C][=N][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][NH1][Ring1][N]
InChI: InChI=1S/C20H26N6O4S/c1-5-30-17-7-6-15(31(28,29)25-10-8-24(4)9-11-25)12-16(17)19-22-20(27)18-13(2)21-14(3)26(18)23-19/h6-7,12H,5,8-11H2,1-4H3,(H,22,23,27)
SMILES: CCOc1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1-c1nn2c(C)nc(C)c2c(=O)[nH]1
SELFIES: [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][C][C][=N][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][NH1][Ring1][N]
InChI: InChI=1S/C21H28N6O5S/c1-4-32-18-6-5-16(33(30,31)26-9-7-25(8-10-26)11-12-28)13-17(18)20-23-21(29)19-14(2)22-15(3)27(19)24-20/h5-6,13,28H,4,7-12H2,1-3H3,(H,23,24,29)
SMILES: CCOc1ccc(S(=O)(=O)N2CCC(O)CC2)cc1-c1nn2c(C)nc(C)c2c(=O)[nH]1
SELFIES: [C][C][O][C][=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][Ring1][S][C][=N][N][C][Branch1][C][C][=N][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][NH1][Ring1][N]
InChI: InChI=1S/C20H25N5O5S/c1-4-30-17-6-5-15(31(28,29)24-9-7-14(26)8-10-24)11-16(17)19-22-20(27)18-12(2)21-13(3)25(18)23-19/h5-6,11,14,26H,4,7-10H2,1-3H3,(H,22,23,27)
SMILES: CCOc1ccc(S(=O)(=O)N2CCC(CO)CC2)cc1-c1nn2c(C)nc(C)c2c(=O)[nH]1
SELFIES: [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][C][C][=N][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][NH1][Ring1][N]
InChI: InChI=1S/C21H27N5O5S/c1-4-31-18-6-5-16(32(29,30)25-9-7-15(12-27)8-10-25)11-17(18)20-23-21(28)19-13(2)22-14(3)26(19)24-20/h5-6,11,15,27H,4,7-10,12H2,1-3H3,(H,23,24,28)
SMILES: CCOc1ccc(S(=O)(=O)N2CCC(O)C2)cc1-c1nn2c(C)nc(C)c2c(=O)[nH]1
SELFIES: [C][C][O][C][=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][Ring1][#C][C][=N][N][C][Branch1][C][C][=N][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][NH1][Ring1][N]
InChI: InChI=1S/C19H23N5O5S/c1-4-29-16-6-5-14(30(27,28)23-8-7-13(25)10-23)9-15(16)18-21-19(26)17-11(2)20-12(3)24(17)22-18/h5-6,9,13,25H,4,7-8,10H2,1-3H3,(H,21,22,26)
SMILES: CCOc1ccc(S(=O)(=O)N(CC)CCO)cc1-c1nn2c(C)nc(C)c2c(=O)[nH]1
SELFIES: [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][C][C][=N][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][NH1][Ring1][N]
InChI: InChI=1S/C19H25N5O5S/c1-5-23(9-10-25)30(27,28)14-7-8-16(29-6-2)15(11-14)18-21-19(26)17-12(3)20-13(4)24(17)22-18/h7-8,11,25H,5-6,9-10H2,1-4H3,(H,21,22,26)
SMILES: CCOc1ccc(S(=O)(=O)N(CC)CC)cc1-c1nn2c(C)nc(C)c2c(=O)[nH]1
SELFIES: [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][C][C][=N][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][NH1][Ring1][N]
InChI: InChI=1S/C19H25N5O4S/c1-6-23(7-2)29(26,27)14-9-10-16(28-8-3)15(11-14)18-21-19(25)17-12(4)20-13(5)24(17)22-18/h9-11H,6-8H2,1-5H3,(H,21,22,25)
SMILES: CCOc1ccc(S(=O)(=O)N2CCN(c3ncccn3)CC2)cc1-c1nn2c(C)nc(C)c2c(=O)[nH]1
SELFIES: [C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][C][=C][Ring2][Ring1][Branch1][C][=N][N][C][Branch1][C][C][=N][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][NH1][Ring1][N]
InChI: InChI=1S/C23H26N8O4S/c1-4-35-19-7-6-17(14-18(19)21-27-22(32)20-15(2)26-16(3)31(20)28-21)36(33,34)30-12-10-29(11-13-30)23-24-8-5-9-25-23/h5-9,14H,4,10-13H2,1-3H3,(H,27,28,32)
SMILES: CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1nn2c(C)nc(C)c2c(=O)[nH]1
SELFIES: [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][C][C][=N][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][NH1][Ring1][N]
InChI: InChI=1S/C19H23N5O5S/c1-4-29-16-6-5-14(30(26,27)23-7-9-28-10-8-23)11-15(16)18-21-19(25)17-12(2)20-13(3)24(17)22-18/h5-6,11H,4,7-10H2,1-3H3,(H,21,22,25)
SMILES: CCOc1ccc(S(=O)(=O)N2CCC3(C2)OCCO3)cc1-c1nn2c(C)nc(C)c2c(=O)[nH]1
SELFIES: [C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][Ring2][C][Ring1][Branch1][O][C][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][C][C][=N][N][C][Branch1][C][C][=N][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][NH1][Ring1][N]
InChI: InChI=1S/C21H25N5O6S/c1-4-30-17-6-5-15(33(28,29)25-8-7-21(12-25)31-9-10-32-21)11-16(17)19-23-20(27)18-13(2)22-14(3)26(18)24-19/h5-6,11H,4,7-10,12H2,1-3H3,(H,23,24,27)
SMILES: CCOc1ccc(S(=O)(=O)N(CCOC)CCOC)cc1-c1nn2c(C)nc(C)c2c(=O)[nH]1
SELFIES: [C][C][O][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][Ring2][Ring1][C][C][=N][N][C][Branch1][C][C][=N][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][NH1][Ring1][N]
InChI: InChI=1S/C21H29N5O6S/c1-6-32-18-8-7-16(33(28,29)25(9-11-30-4)10-12-31-5)13-17(18)20-23-21(27)19-14(2)22-15(3)26(19)24-20/h7-8,13H,6,9-12H2,1-5H3,(H,23,24,27)
SMILES: CCOc1ccc(S(=O)(=O)Nc2ccon2)cc1-c1nn2c(C)nc(C)c2c(=O)[nH]1
SELFIES: [C][C][O][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][O][N][=Ring1][Branch1][C][=C][Ring1][#C][C][=N][N][C][Branch1][C][C][=N][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][NH1][Ring1][N]
InChI: InChI=1S/C18H18N6O5S/c1-4-28-14-6-5-12(30(26,27)23-15-7-8-29-22-15)9-13(14)17-20-18(25)16-10(2)19-11(3)24(16)21-17/h5-9H,4H2,1-3H3,(H,22,23)(H,20,21,25)
SMILES: CCOc1ccc(S(=O)(=O)N2CCOC(CNC(=O)OC(C)(C)C)C2)cc1-c1nn2c(C)nc(C)c2c(=O)[nH]1
SELFIES: [C][C][O][C][=C][C][=C][Branch2][Ring1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][Branch1][S][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][#C][C][=C][Ring2][Ring1][Branch2][C][=N][N][C][Branch1][C][C][=N][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][NH1][Ring1][N]
InChI: InChI=1S/C25H34N6O7S/c1-7-36-20-9-8-18(12-19(20)22-28-23(32)21-15(2)27-16(3)31(21)29-22)39(34,35)30-10-11-37-17(14-30)13-26-24(33)38-25(4,5)6/h8-9,12,17H,7,10-11,13-14H2,1-6H3,(H,26,33)(H,28,29,32)
SMILES: CCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1-c1nn2c(C)nc(C)c2c(=O)[nH]1
SELFIES: [C][C][O][C][=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][Ring2][Ring1][Branch1][C][=N][N][C][Branch1][C][C][=N][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][NH1][Ring1][N]
InChI: InChI=1S/C25H28N6O4S/c1-4-35-22-11-10-20(16-21(22)24-27-25(32)23-17(2)26-18(3)31(23)28-24)36(33,34)30-14-12-29(13-15-30)19-8-6-5-7-9-19/h5-11,16H,4,12-15H2,1-3H3,(H,27,28,32)
SMILES: CCOc1ccc(S(=O)(=O)N2CCC(O)(COC)C2)cc1-c1nn2c(C)nc(C)c2c(=O)[nH]1
SELFIES: [C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][C][O][Branch1][Ring2][C][O][C][C][Ring1][=Branch2][C][=C][Ring2][Ring1][C][C][=N][N][C][Branch1][C][C][=N][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][NH1][Ring1][N]
InChI: InChI=1S/C21H27N5O6S/c1-5-32-17-7-6-15(33(29,30)25-9-8-21(28,11-25)12-31-4)10-16(17)19-23-20(27)18-13(2)22-14(3)26(18)24-19/h6-7,10,28H,5,8-9,11-12H2,1-4H3,(H,23,24,27)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NN4CCN(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][N][C][C][N][Branch1][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/C22H31N7O4S/c1-5-7-19-23-15(3)20-22(30)24-21(25-29(19)20)17-14-16(8-9-18(17)33-6-2)34(31,32)26-28-12-10-27(4)11-13-28/h8-9,14,26H,5-7,10-13H2,1-4H3,(H,24,25,30)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NN4CCN(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][N][C][C][N][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/C23H33N7O5S/c1-4-6-20-24-16(3)21-23(32)25-22(26-30(20)21)18-15-17(7-8-19(18)35-5-2)36(33,34)27-29-11-9-28(10-12-29)13-14-31/h7-8,15,27,31H,4-6,9-14H2,1-3H3,(H,25,26,32)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCN(CCO)CCO)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][N][Branch1][Ring2][C][C][O][C][C][O][=C][C][=C][Ring2][Ring1][Ring1][O][C][C][=N][N][Ring2][Ring1][P][Ring2][Ring1][=N]
InChI: InChI=1S/C23H34N6O6S/c1-4-6-20-25-16(3)21-23(32)26-22(27-29(20)21)18-15-17(7-8-19(18)35-5-2)36(33,34)24-9-10-28(11-13-30)12-14-31/h7-8,15,24,30-31H,4-6,9-14H2,1-3H3,(H,26,27,32)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(CP(=O)(OC)OC)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][P][=Branch1][C][=O][Branch1][Ring1][O][C][O][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/C24H35N6O7PS/c1-6-8-21-25-17(3)22-24(31)26-23(27-30(21)22)19-15-18(9-10-20(19)37-7-2)39(33,34)29-13-11-28(12-14-29)16-38(32,35-4)36-5/h9-10,15H,6-8,11-14,16H2,1-5H3,(H,26,27,31)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(CCCO)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][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/C24H34N6O5S/c1-4-7-21-25-17(3)22-24(32)26-23(27-30(21)22)19-16-18(8-9-20(19)35-5-2)36(33,34)29-13-11-28(12-14-29)10-6-15-31/h8-9,16,31H,4-7,10-15H2,1-3H3,(H,26,27,32)
SMILES: C=CCN(CCO)S(=O)(=O)c1ccc(OCC)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][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/C22H29N5O5S/c1-5-8-19-23-15(4)20-22(29)24-21(25-27(19)20)17-14-16(9-10-18(17)32-7-3)33(30,31)26(11-6-2)12-13-28/h6,9-10,14,28H,2,5,7-8,11-13H2,1,3-4H3,(H,24,25,29)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCN(C)C)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][N][Branch1][C][C][C][=C][C][=C][Ring1][#C][O][C][C][=N][N][Ring2][Ring1][=N][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C21H30N6O4S/c1-6-8-18-23-14(3)19-21(28)24-20(25-27(18)19)16-13-15(9-10-17(16)31-7-2)32(29,30)22-11-12-26(4)5/h9-10,13,22H,6-8,11-12H2,1-5H3,(H,24,25,28)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCCN4CCOCC4)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][C][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/C24H34N6O5S/c1-4-7-21-26-17(3)22-24(31)27-23(28-30(21)22)19-16-18(8-9-20(19)35-5-2)36(32,33)25-10-6-11-29-12-14-34-15-13-29/h8-9,16,25H,4-7,10-15H2,1-3H3,(H,27,28,31)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCCN4CCN(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][C][N][C][C][N][Branch1][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/C25H37N7O4S/c1-5-8-22-27-18(3)23-25(33)28-24(29-32(22)23)20-17-19(9-10-21(20)36-6-2)37(34,35)26-11-7-12-31-15-13-30(4)14-16-31/h9-10,17,26H,5-8,11-16H2,1-4H3,(H,28,29,33)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(CCOC)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][C][O][C][C][C][Ring1][#Branch2][=C][C][=C][Ring2][Ring1][Ring1][O][C][C][=N][N][Ring2][Ring1][P][Ring2][Ring1][=N]
InChI: InChI=1S/C24H34N6O5S/c1-5-7-21-25-17(3)22-24(31)26-23(27-30(21)22)19-16-18(8-9-20(19)35-6-2)36(32,33)29-12-10-28(11-13-29)14-15-34-4/h8-9,16H,5-7,10-15H2,1-4H3,(H,26,27,31)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(CCN(C)C)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][N][Branch1][C][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/C25H37N7O4S/c1-6-8-22-26-18(3)23-25(33)27-24(28-32(22)23)20-17-19(9-10-21(20)36-7-2)37(34,35)31-15-13-30(14-16-31)12-11-29(4)5/h9-10,17H,6-8,11-16H2,1-5H3,(H,27,28,33)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(CCCN(C)C)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][N][Branch1][C][C][C][C][C][Ring1][N][=C][C][=C][Ring2][Ring1][Branch1][O][C][C][=N][N][Ring2][Ring2][Ring1][Ring2][Ring1][#C]
InChI: InChI=1S/C26H39N7O4S/c1-6-9-23-27-19(3)24-26(34)28-25(29-33(23)24)21-18-20(10-11-22(21)37-7-2)38(35,36)32-16-14-31(15-17-32)13-8-12-30(4)5/h10-11,18H,6-9,12-17H2,1-5H3,(H,28,29,34)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCC5(CC4)OCCO5)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][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=C][C][=C][Ring2][Ring1][Ring1][O][C][C][=N][N][Ring2][Ring1][P][Ring2][Ring1][=N]
InChI: InChI=1S/C24H31N5O6S/c1-4-6-20-25-16(3)21-23(30)26-22(27-29(20)21)18-15-17(7-8-19(18)33-5-2)36(31,32)28-11-9-24(10-12-28)34-13-14-35-24/h7-8,15H,4-6,9-14H2,1-3H3,(H,26,27,30)
SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCC(C(=O)c5no[n+]([O-])c5C)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][=N][O][N+1][Branch1][C][O-1][=C][Ring1][=Branch1][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/C26H31N7O7S/c1-5-7-21-27-15(3)23-26(35)28-25(29-32(21)23)19-14-18(8-9-20(19)39-6-2)41(37,38)31-12-10-17(11-13-31)24(34)22-16(4)33(36)40-30-22/h8-9,14,17H,5-7,10-13H2,1-4H3,(H,28,29,35)