EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(C)(C)OC(=O)NC1(C(=O)O)CC1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][Ring1][=Branch1]
InChI: InChI=1S/C9H15NO4/c1-8(2,3)14-7(13)10-9(4-5-9)6(11)12/h4-5H2,1-3H3,(H,10,13)(H,11,12)
SMILES: COC(=O)C1(NCl)CCC1
SELFIES: [C][O][C][=Branch1][C][=O][C][Branch1][Ring1][N][Cl][C][C][C][Ring1][=Branch1]
InChI: InChI=1S/C6H10ClNO2/c1-10-5(9)6(8-7)3-2-4-6/h8H,2-4H2,1H3
SMILES: CC(C)(C)NS(=O)(=O)C1(Cc2ccccc2)CC1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#Branch2]
InChI: InChI=1S/C14H21NO2S/c1-13(2,3)15-18(16,17)14(9-10-14)11-12-7-5-4-6-8-12/h4-8,15H,9-11H2,1-3H3
SMILES: CCCC1(S(N)(=O)=O)CC1
SELFIES: [C][C][C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][C][Ring1][#Branch1]
InChI: InChI=1S/C6H13NO2S/c1-2-3-6(4-5-6)10(7,8)9/h2-5H2,1H3,(H2,7,8,9)
SMILES: C=CCC1(S(=O)(=O)NC(C)(C)C)CC1
SELFIES: [C][=C][C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][O]
InChI: InChI=1S/C10H19NO2S/c1-5-6-10(7-8-10)14(12,13)11-9(2,3)4/h5,11H,1,6-8H2,2-4H3
SMILES: CC(C)(C)NS(=O)(=O)C1(C2(O)CCCCC2)CC1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][N][C][Branch1][C][O][C][C][C][C][C][Ring1][#Branch1][C][C][Ring1][#Branch2]
InChI: InChI=1S/C13H25NO3S/c1-11(2,3)14-18(16,17)13(9-10-13)12(15)7-5-4-6-8-12/h14-15H,4-10H2,1-3H3
SMILES: CC(C)(C)NS(=O)(=O)C1(C(=O)c2ccccc2)CC1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][O]
InChI: InChI=1S/C14H19NO3S/c1-13(2,3)15-19(17,18)14(9-10-14)12(16)11-7-5-4-6-8-11/h4-8,15H,9-10H2,1-3H3
SMILES: CC(C)(C)NS(=O)(=O)C1(C(=O)Nc2ccccc2)CC1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N]
InChI: InChI=1S/C14H20N2O3S/c1-13(2,3)16-20(18,19)14(9-10-14)12(17)15-11-7-5-4-6-8-11/h4-8,16H,9-10H2,1-3H3,(H,15,17)
SMILES: CC(C)(C)OC(=O)NS(=O)(=O)CCCCl
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Cl]
InChI: InChI=1S/C8H16ClNO4S/c1-8(2,3)14-7(11)10-15(12,13)6-4-5-9/h4-6H2,1-3H3,(H,10,11)
SMILES: COCC1(S(=O)(=O)NC(=O)OC(C)(C)C)CC1
SELFIES: [C][O][C][C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=C]
InChI: InChI=1S/C10H19NO5S/c1-9(2,3)16-8(12)11-17(13,14)10(5-6-10)7-15-4/h5-7H2,1-4H3,(H,11,12)
SMILES: CC(C)(C)OC(=O)NS(=O)(=O)C1(CC2CC2)CC1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][C][Ring1][#Branch1]
InChI: InChI=1S/C12H21NO4S/c1-11(2,3)17-10(14)13-18(15,16)12(6-7-12)8-9-4-5-9/h9H,4-8H2,1-3H3,(H,13,14)
SMILES: CCCNC(=O)C1(S(=O)(=O)NC(=O)OC(C)(C)C)CC1
SELFIES: [C][C][C][N][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=C]
InChI: InChI=1S/C12H22N2O5S/c1-5-8-13-9(15)12(6-7-12)20(17,18)14-10(16)19-11(2,3)4/h5-8H2,1-4H3,(H,13,15)(H,14,16)
SMILES: Cc1noc(C)c1NC(=O)C1(S(=O)(=O)NC(=O)OC(C)(C)C)CC1
SELFIES: [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=C]
InChI: InChI=1S/C14H21N3O6S/c1-8-10(9(2)23-16-8)15-11(18)14(6-7-14)24(20,21)17-12(19)22-13(3,4)5/h6-7H2,1-5H3,(H,15,18)(H,17,19)
SMILES: NS(=O)(=O)c1ccc(Br)cc1
SELFIES: [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C6H6BrNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10)
SMILES: C=C[C@@H]1C[C@]1(N)C(=O)NS(=O)(=O)N(C)CC
SELFIES: [C][=C][C@@H1][C][C@][Ring1][Ring1][Branch1][C][N][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C]
InChI: InChI=1S/C9H17N3O3S/c1-4-7-6-9(7,10)8(13)11-16(14,15)12(3)5-2/h4,7H,1,5-6,10H2,2-3H3,(H,11,13)/t7-,9-/m1/s1
SMILES: COc1ccc2c(Cl)cc(-c3ccccc3)nc2c1
SELFIES: [C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Ring1][=N][=C][Ring1][P]
InChI: InChI=1S/C16H12ClNO/c1-19-12-7-8-13-14(17)10-15(18-16(13)9-12)11-5-3-2-4-6-11/h2-10H,1H3
SMILES: CCOC(=O)C/N=C/c1ccccc1
SELFIES: [C][C][O][C][=Branch1][C][=O][C][/N][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C11H13NO2/c1-2-14-11(13)9-12-8-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3/b12-8+
SMILES: C=CC1CC1(NC(=O)OC(C)(C)C)C(=O)OCC
SELFIES: [C][=C][C][C][C][Ring1][Ring1][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][C]
InChI: InChI=1S/C13H21NO4/c1-6-9-8-13(9,10(15)17-7-2)14-11(16)18-12(3,4)5/h6,9H,1,7-8H2,2-5H3,(H,14,16)
SMILES: C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)CN1C(=O)[C@@H](O)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1
SELFIES: [C][=C][C@@H1][C][C@][Ring1][Ring1][Branch2][Branch1][#C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch2][Ring1][#C][O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring2][Ring1][C][Ring1][Branch2][C][N][Ring2][Ring1][Branch2][C][=Branch1][C][=O][C@@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1]
InChI: InChI=1S/C36H42N4O8S/c1-6-22-19-36(22,34(44)39-49(45,46)25-13-14-25)38-32(42)29-17-24(20-40(29)33(43)31(41)35(2,3)4)48-30-18-27(21-10-8-7-9-11-21)37-28-16-23(47-5)12-15-26(28)30/h6-12,15-16,18,22,24-25,29,31,41H,1,13-14,17,19-20H2,2-5H3,(H,38,42)(H,39,44)/t22-,24-,29+,31-,36-/m1/s1
SMILES: C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)CN1C(=O)[C@@H](OC(=O)Nc1ccc(OC)cc1)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1
SELFIES: [C][=C][C@@H1][C][C@][Ring1][Ring1][Branch2][=Branch1][P][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch2][Ring1][#C][O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring2][Ring1][C][Ring1][Branch2][C][N][Ring2][Ring1][Branch2][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1]
InChI: InChI=1S/C44H49N5O10S/c1-7-27-24-44(27,41(52)48-60(54,55)32-18-19-32)47-39(50)36-22-31(58-37-23-34(26-11-9-8-10-12-26)46-35-21-30(57-6)17-20-33(35)37)25-49(36)40(51)38(43(2,3)4)59-42(53)45-28-13-15-29(56-5)16-14-28/h7-17,20-21,23,27,31-32,36,38H,1,18-19,22,24-25H2,2-6H3,(H,45,53)(H,47,50)(H,48,52)/t27-,31-,36+,38-,44-/m1/s1
SMILES: C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)CN1C(=O)[C@@H](OC(=O)Nc1ccc(OC)cc1C)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1
SELFIES: [C][=C][C@@H1][C][C@][Ring1][Ring1][Branch2][#Branch1][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch2][Ring1][#C][O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring2][Ring1][C][Ring1][Branch2][C][N][Ring2][Ring1][Branch2][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][Ring2][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1]
InChI: InChI=1S/C45H51N5O10S/c1-8-28-24-45(28,42(53)49-61(55,56)32-16-17-32)48-40(51)37-22-31(59-38-23-35(27-12-10-9-11-13-27)46-36-21-30(58-7)14-18-33(36)38)25-50(37)41(52)39(44(3,4)5)60-43(54)47-34-19-15-29(57-6)20-26(34)2/h8-15,18-21,23,28,31-32,37,39H,1,16-17,22,24-25H2,2-7H3,(H,47,54)(H,48,51)(H,49,53)/t28-,31-,37+,39-,45-/m1/s1
SMILES: C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)CN1C(=O)[C@@H](OC(=O)Nc1ccc(N(C)C)cc1)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1
SELFIES: [C][=C][C@@H1][C][C@][Ring1][Ring1][Branch2][#Branch1][Ring2][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch2][Ring1][#C][O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring2][Ring1][C][Ring1][Branch2][C][N][Ring2][Ring1][Branch2][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][=Branch1][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1]
InChI: InChI=1S/C45H52N6O9S/c1-8-28-25-45(28,42(54)49-61(56,57)33-19-20-33)48-40(52)37-23-32(59-38-24-35(27-12-10-9-11-13-27)47-36-22-31(58-7)18-21-34(36)38)26-51(37)41(53)39(44(2,3)4)60-43(55)46-29-14-16-30(17-15-29)50(5)6/h8-18,21-22,24,28,32-33,37,39H,1,19-20,23,25-26H2,2-7H3,(H,46,55)(H,48,52)(H,49,54)/t28-,32-,37+,39-,45-/m1/s1
SMILES: CC(C)(C)OC(=O)N1C[C@H](Oc2nccc3ccccc23)C[C@H]1C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C@H1][Branch1][S][O][C][=N][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C@H1][Ring1][S][C][=Branch1][C][=O][O]
InChI: InChI=1S/C19H22N2O5/c1-19(2,3)26-18(24)21-11-13(10-15(21)17(22)23)25-16-14-7-5-4-6-12(14)8-9-20-16/h4-9,13,15H,10-11H2,1-3H3,(H,22,23)/t13-,15+/m1/s1
SMILES: C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2nccc3ccccc23)CN1C(=O)OC(C)(C)C)C(=O)NS(=O)(=O)C1CC1
SELFIES: [C][=C][C@@H1][C][C@][Ring1][Ring1][Branch2][Ring2][O][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][S][O][C][=N][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][N][Ring1][S][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1]
InChI: InChI=1S/C28H34N4O7S/c1-5-18-15-28(18,25(34)31-40(36,37)20-10-11-20)30-23(33)22-14-19(16-32(22)26(35)39-27(2,3)4)38-24-21-9-7-6-8-17(21)12-13-29-24/h5-9,12-13,18-20,22H,1,10-11,14-16H2,2-4H3,(H,30,33)(H,31,34)/t18-,19-,22+,28-/m1/s1
SMILES: C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2nccc3ccccc23)CN1C(=O)[C@@H](O)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1
SELFIES: [C][=C][C@@H1][C][C@][Ring1][Ring1][Branch2][Ring2][=C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][S][O][C][=N][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][N][Ring1][S][C][=Branch1][C][=O][C@@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1]
InChI: InChI=1S/C29H36N4O7S/c1-5-18-15-29(18,27(37)32-41(38,39)20-10-11-20)31-24(35)22-14-19(16-33(22)26(36)23(34)28(2,3)4)40-25-21-9-7-6-8-17(21)12-13-30-25/h5-9,12-13,18-20,22-23,34H,1,10-11,14-16H2,2-4H3,(H,31,35)(H,32,37)/t18-,19-,22+,23-,29-/m1/s1
SMILES: C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2nccc3cc(OC)ccc23)CN1C(=O)[C@H](O)C(C)C)C(=O)NS(=O)(=O)C1CC1
SELFIES: [C][=C][C@@H1][C][C@][Ring1][Ring1][Branch2][Ring2][P][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch2][Ring1][Ring2][O][C][=N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][N][Ring1][Branch2][C][N][Ring2][Ring1][C][C][=Branch1][C][=O][C@H1][Branch1][C][O][C][Branch1][C][C][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1]
InChI: InChI=1S/C29H36N4O8S/c1-5-18-14-29(18,28(37)32-42(38,39)21-7-8-21)31-25(35)23-13-20(15-33(23)27(36)24(34)16(2)3)41-26-22-9-6-19(40-4)12-17(22)10-11-30-26/h5-6,9-12,16,18,20-21,23-24,34H,1,7-8,13-15H2,2-4H3,(H,31,35)(H,32,37)/t18-,20-,23+,24-,29-/m1/s1
SMILES: C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2nccc3cc(OC)ccc23)CN1C(=O)[C@H](OC(=O)NC1CCCC1)C(C)C)C(=O)NS(=O)(=O)C1CC1
SELFIES: [C][=C][C@@H1][C][C@][Ring1][Ring1][Branch2][Branch1][=N][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch2][Ring1][Ring2][O][C][=N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][N][Ring1][Branch2][C][N][Ring2][Ring1][C][C][=Branch1][C][=O][C@H1][Branch1][=C][O][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1]
InChI: InChI=1S/C35H45N5O9S/c1-5-22-18-35(22,33(43)39-50(45,46)26-11-12-26)38-30(41)28-17-25(48-31-27-13-10-24(47-4)16-21(27)14-15-36-31)19-40(28)32(42)29(20(2)3)49-34(44)37-23-8-6-7-9-23/h5,10,13-16,20,22-23,25-26,28-29H,1,6-9,11-12,17-19H2,2-4H3,(H,37,44)(H,38,41)(H,39,43)/t22-,25-,28+,29-,35-/m1/s1
SMILES: C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3cccs3)cc(-c3ccccc3)n2)CN1C(=O)[C@@H](OC(=O)NC(C)(C)C)C(C)C)C(=O)NS(=O)(=O)C1CC1
SELFIES: [C][=C][C@@H1][C][C@][Ring1][Ring1][Branch2][=Branch1][#Branch1][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch2][Ring1][=N][O][C][=C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][P][C][N][Ring2][Ring1][#Branch1][C][=Branch1][C][=O][C@@H1][Branch1][#C][O][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1]
InChI: InChI=1S/C39H47N5O8S2/c1-7-26-21-39(26,36(47)43-54(49,50)28-15-16-28)41-34(45)30-20-27(22-44(30)35(46)33(23(2)3)52-37(48)42-38(4,5)6)51-32-19-25(31-14-11-17-53-31)18-29(40-32)24-12-9-8-10-13-24/h7-14,17-19,23,26-28,30,33H,1,15-16,20-22H2,2-6H3,(H,41,45)(H,42,48)(H,43,47)/t26-,27-,30+,33+,39-/m1/s1
SMILES: Cc1ccc2c(Cl)cc(-c3ccccc3)nc2n1
SELFIES: [C][C][=C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Ring1][=N][=N][Ring1][P]
InChI: InChI=1S/C15H11ClN2/c1-10-7-8-12-13(16)9-14(18-15(12)17-10)11-5-3-2-4-6-11/h2-9H,1H3
SMILES: COc1ccccc1-c1ccc2onc(C)c2[n+]1[O-]
SELFIES: [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][O][N][=C][Branch1][C][C][C][Ring1][=Branch1][=N+1][Ring1][#Branch2][O-1]
InChI: InChI=1S/C14H12N2O3/c1-9-14-13(19-15-9)8-7-11(16(14)17)10-5-3-4-6-12(10)18-2/h3-8H,1-2H3
SMILES: Cc1ccc2c(Cl)cc(C(F)(F)F)nc2n1
SELFIES: [C][C][=C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Ring1][O][=N][Ring1][#C]
InChI: InChI=1S/C10H6ClF3N2/c1-5-2-3-6-7(11)4-8(10(12,13)14)16-9(6)15-5/h2-4H,1H3
SMILES: CCc1cc(Cl)c2onc(C)c2n1
SELFIES: [C][C][C][=C][C][Branch1][C][Cl][=C][O][N][=C][Branch1][C][C][C][Ring1][=Branch1][=N][Ring1][O]
InChI: InChI=1S/C9H9ClN2O/c1-3-6-4-7(10)9-8(11-6)5(2)12-13-9/h4H,3H2,1-2H3
SMILES: COc1cc2nc(C3CC3)nc(O)c2cc1OC
SELFIES: [C][O][C][=C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][C][Branch1][C][O][=C][Ring1][#Branch2][C][=C][Ring1][=C][O][C]
InChI: InChI=1S/C13H14N2O3/c1-17-10-5-8-9(6-11(10)18-2)14-12(7-3-4-7)15-13(8)16/h5-7H,3-4H2,1-2H3,(H,14,15,16)
SMILES: COC(=O)[C@@H]1C[C@@H](Oc2nc(C3CC3)nc3cc(OC)c(OC)cc23)CN1C(=O)OC(C)(C)C
SELFIES: [C][O][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch2][Ring1][#C][O][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][P][Ring1][#Branch2][C][N][Ring2][Ring1][#Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]
InChI: InChI=1S/C24H31N3O7/c1-24(2,3)34-23(29)27-12-14(9-17(27)22(28)32-6)33-21-15-10-18(30-4)19(31-5)11-16(15)25-20(26-21)13-7-8-13/h10-11,13-14,17H,7-9,12H2,1-6H3/t14-,17+/m1/s1
SMILES: COc1ccc2nc(C)nc(O)c2c1
SELFIES: [C][O][C][=C][C][=C][N][=C][Branch1][C][C][N][=C][Branch1][C][O][C][Ring1][Branch2][=C][Ring1][N]
InChI: InChI=1S/C10H10N2O2/c1-6-11-9-4-3-7(14-2)5-8(9)10(13)12-6/h3-5H,1-2H3,(H,11,12,13)
SMILES: COC(=O)[C@@H]1C[C@@H](Oc2nc(C)nc3cc(OC)c(OC)cc23)CN1C(=O)OC(C)(C)C
SELFIES: [C][O][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch2][Ring1][O][O][C][=N][C][Branch1][C][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#C][Ring1][#Branch2][C][N][Ring2][Ring1][Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]
InChI: InChI=1S/C22H29N3O7/c1-12-23-15-10-18(29-6)17(28-5)9-14(15)19(24-12)31-13-8-16(20(26)30-7)25(11-13)21(27)32-22(2,3)4/h9-10,13,16H,8,11H2,1-7H3/t13-,16+/m1/s1
SMILES: COc1cc2nc(C(F)(F)F)nc(O)c2cc1OC
SELFIES: [C][O][C][=C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch1][C][O][=C][Ring1][O][C][=C][Ring1][#C][O][C]
InChI: InChI=1S/C11H9F3N2O3/c1-18-7-3-5-6(4-8(7)19-2)15-10(11(12,13)14)16-9(5)17/h3-4H,1-2H3,(H,15,16,17)
SMILES: COC(=O)[C@@H]1C[C@@H](Oc2nc(C(F)(F)F)nc3cc(OC)c(OC)cc23)CN1C(=O)OC(C)(C)C
SELFIES: [C][O][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch2][Ring2][Ring1][O][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring2][Ring1][C][Ring1][#Branch2][C][N][Ring2][Ring1][Branch2][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]
InChI: InChI=1S/C22H26F3N3O7/c1-21(2,3)35-20(30)28-10-11(7-14(28)18(29)33-6)34-17-12-8-15(31-4)16(32-5)9-13(12)26-19(27-17)22(23,24)25/h8-9,11,14H,7,10H2,1-6H3/t11-,14+/m1/s1
SMILES: Clc1nccc2occc12
SELFIES: [Cl][C][=N][C][=C][C][O][C][=C][C][Ring1][=Branch2][=Ring1][Branch1]
InChI: InChI=1S/C7H4ClNO/c8-7-5-2-4-10-6(5)1-3-9-7/h1-4H
SMILES: Clc1nccc2sccc12
SELFIES: [Cl][C][=N][C][=C][C][S][C][=C][C][Ring1][=Branch2][=Ring1][Branch1]
InChI: InChI=1S/C7H4ClNS/c8-7-5-2-4-10-6(5)1-3-9-7/h1-4H
SMILES: Clc1cnc2ccccc2n1
SELFIES: [Cl][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2]
InChI: InChI=1S/C8H5ClN2/c9-8-5-10-6-3-1-2-4-7(6)11-8/h1-5H
SMILES: COc1cc2cc[nH]c(=O)c2cc1F
SELFIES: [C][O][C][=C][C][C][=C][NH1][C][=Branch1][C][=O][C][=Ring1][#Branch1][C][=C][Ring1][O][F]
InChI: InChI=1S/C10H8FNO2/c1-14-9-4-6-2-3-12-10(13)7(6)5-8(9)11/h2-5H,1H3,(H,12,13)
SMILES: COc1c[nH]c(=O)c2cc(F)ccc12
SELFIES: [C][O][C][=C][NH1][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][N][Ring1][#Branch1]
InChI: InChI=1S/C10H8FNO2/c1-14-9-5-12-10(13)8-4-6(11)2-3-7(8)9/h2-5H,1H3,(H,12,13)
SMILES: Clc1nsc2ccccc12
SELFIES: [Cl][C][=N][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1]
InChI: InChI=1S/C7H4ClNS/c8-7-5-3-1-2-4-6(5)10-9-7/h1-4H
SMILES: Clc1nccc(-c2ccccc2)n1
SELFIES: [Cl][C][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][N]
InChI: InChI=1S/C10H7ClN2/c11-10-12-7-6-9(13-10)8-4-2-1-3-5-8/h1-7H
SMILES: Clc1nccc(-c2ccccn2)n1
SELFIES: [Cl][C][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][N]
InChI: InChI=1S/C9H6ClN3/c10-9-12-6-4-8(13-9)7-3-1-2-5-11-7/h1-6H
SMILES: Clc1nccc(-c2ccco2)n1
SELFIES: [Cl][C][=N][C][=C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][Ring1][O]
InChI: InChI=1S/C8H5ClN2O/c9-8-10-4-3-6(11-8)7-2-1-5-12-7/h1-5H
SMILES: Clc1nccc(-c2nccs2)n1
SELFIES: [Cl][C][=N][C][=C][C][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][=N][Ring1][O]
InChI: InChI=1S/C7H4ClN3S/c8-7-10-2-1-5(11-7)6-9-3-4-12-6/h1-4H
SMILES: C=C[C@@H]1C[C@]1(NC[C@@H]1C[C@@H](Oc2cccc3ccccc23)CN1C(=O)OC(C)(C)C)C(=O)OCC
SELFIES: [C][=C][C@@H1][C][C@][Ring1][Ring1][Branch2][Ring2][Branch2][N][C][C@@H1][C][C@@H1][Branch1][S][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][N][Ring1][S][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][C]
InChI: InChI=1S/C28H36N2O5/c1-6-20-16-28(20,25(31)33-7-2)29-17-21-15-22(18-30(21)26(32)35-27(3,4)5)34-24-14-10-12-19-11-8-9-13-23(19)24/h6,8-14,20-22,29H,1,7,15-18H2,2-5H3/t20-,21+,22-,28-/m1/s1
SMILES: C=C[C@@H]1C[C@]1(NC(=O)C1CC(Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)CN1C(=O)[C@@H](O)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1
SELFIES: [C][=C][C@@H1][C][C@][Ring1][Ring1][Branch2][Branch1][#C][N][C][=Branch1][C][=O][C][C][C][Branch2][Ring1][#C][O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring2][Ring1][C][Ring1][Branch2][C][N][Ring2][Ring1][Branch2][C][=Branch1][C][=O][C@@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1]
InChI: InChI=1S/C36H42N4O8S/c1-6-22-19-36(22,34(44)39-49(45,46)25-13-14-25)38-32(42)29-17-24(20-40(29)33(43)31(41)35(2,3)4)48-30-18-27(21-10-8-7-9-11-21)37-28-16-23(47-5)12-15-26(28)30/h6-12,15-16,18,22,24-25,29,31,41H,1,13-14,17,19-20H2,2-5H3,(H,38,42)(H,39,44)/t22-,24?,29?,31-,36-/m1/s1
SMILES: CCC1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)CN1C(=O)C(O)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1
SELFIES: [C][C][C][C][C@][Ring1][Ring1][Branch2][Branch1][#C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch2][Ring1][#C][O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring2][Ring1][C][Ring1][Branch2][C][N][Ring2][Ring1][Branch2][C][=Branch1][C][=O][C][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1]
InChI: InChI=1S/C36H44N4O8S/c1-6-22-19-36(22,34(44)39-49(45,46)25-13-14-25)38-32(42)29-17-24(20-40(29)33(43)31(41)35(2,3)4)48-30-18-27(21-10-8-7-9-11-21)37-28-16-23(47-5)12-15-26(28)30/h7-12,15-16,18,22,24-25,29,31,41H,6,13-14,17,19-20H2,1-5H3,(H,38,42)(H,39,44)/t22?,24-,29+,31?,36-/m1/s1
SMILES: CCC1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)CN1C(=O)C(O)C(C)C)C(=O)NS(=O)(=O)C1CC1
SELFIES: [C][C][C][C][C@][Ring1][Ring1][Branch2][Branch1][N][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch2][Ring1][#C][O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring2][Ring1][C][Ring1][Branch2][C][N][Ring2][Ring1][Branch2][C][=Branch1][C][=O][C][Branch1][C][O][C][Branch1][C][C][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1]
InChI: InChI=1S/C35H42N4O8S/c1-5-22-18-35(22,34(43)38-48(44,45)25-12-13-25)37-32(41)29-16-24(19-39(29)33(42)31(40)20(2)3)47-30-17-27(21-9-7-6-8-10-21)36-28-15-23(46-4)11-14-26(28)30/h6-11,14-15,17,20,22,24-25,29,31,40H,5,12-13,16,18-19H2,1-4H3,(H,37,41)(H,38,43)/t22?,24-,29+,31?,35-/m1/s1
SMILES: C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1CC(Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)CN1C(=O)[C@@H](O)C(C)(C)C)C(=O)NS(=O)(=O)C1(CC2CC2)CC1
SELFIES: [C][=C][C@@H1][C][C@][Ring1][Ring1][Branch2][Branch1][#C][N][C][=Branch1][C][=O][C@@H1][C][C][Branch2][Ring1][#C][O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring2][Ring1][C][Ring1][Branch2][C][N][Ring2][Ring1][Branch2][C][=Branch1][C][=O][C@@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][C][Ring1][#Branch1]
InChI: InChI=1S/C40H48N4O8S/c1-6-26-22-40(26,37(48)43-53(49,50)39(16-17-39)21-24-12-13-24)42-35(46)32-19-28(23-44(32)36(47)34(45)38(2,3)4)52-33-20-30(25-10-8-7-9-11-25)41-31-18-27(51-5)14-15-29(31)33/h6-11,14-15,18,20,24,26,28,32,34,45H,1,12-13,16-17,19,21-23H2,2-5H3,(H,42,46)(H,43,48)/t26-,28?,32+,34-,40-/m1/s1
SMILES: CCC1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)CN1C(=O)[C@@H](O)C1CCCCC1)C(=O)NS(=O)(=O)C1CC1
SELFIES: [C][C][C][C][C@][Ring1][Ring1][Branch2][Branch1][#C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch2][Ring1][#C][O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring2][Ring1][C][Ring1][Branch2][C][N][Ring2][Ring1][Branch2][C][=Branch1][C][=O][C@@H1][Branch1][C][O][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1]
InChI: InChI=1S/C38H46N4O8S/c1-3-25-21-38(25,37(46)41-51(47,48)28-15-16-28)40-35(44)32-19-27(22-42(32)36(45)34(43)24-12-8-5-9-13-24)50-33-20-30(23-10-6-4-7-11-23)39-31-18-26(49-2)14-17-29(31)33/h4,6-7,10-11,14,17-18,20,24-25,27-28,32,34,43H,3,5,8-9,12-13,15-16,19,21-22H2,1-2H3,(H,40,44)(H,41,46)/t25?,27-,32+,34+,38-/m1/s1