EdisonScientific/glyph-datasets huggingface dataset:
SMILES: COC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1(C)NCc2ccccc21
SELFIES: [C][O][C][=Branch1][C][=O][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2]
InChI: InChI=1S/C21H23ClN2O3/c1-21(17-6-4-3-5-15(17)13-23-21)12-19(25)24-18(20(26)27-2)11-14-7-9-16(22)10-8-14/h3-10,18,23H,11-13H2,1-2H3,(H,24,25)/t18-,21?/m1/s1
SMILES: CN1Cc2ccccc2C1CC(=O)NC(Cc1ccc(Cl)cc1)C(=O)O
SELFIES: [C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O]
InChI: InChI=1S/C20H21ClN2O3/c1-23-12-14-4-2-3-5-16(14)18(23)11-19(24)22-17(20(25)26)10-13-6-8-15(21)9-7-13/h2-9,17-18H,10-12H2,1H3,(H,22,24)(H,25,26)
SMILES: O=C(NC(Cc1ccc(Cl)cc1)C(=O)O)c1cc2ccccc2cn1
SELFIES: [O][=C][Branch2][Ring1][=Branch1][N][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring1][#Branch2]
InChI: InChI=1S/C19H15ClN2O3/c20-15-7-5-12(6-8-15)9-17(19(24)25)22-18(23)16-10-13-3-1-2-4-14(13)11-21-16/h1-8,10-11,17H,9H2,(H,22,23)(H,24,25)
SMILES: CN1CCC(CC2CCCCC2)(N2CCN(Cc3ccccc3)CC2)CC1
SELFIES: [C][N][C][C][C][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][Branch2][Ring1][Ring2][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][C][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C24H39N3/c1-25-14-12-24(13-15-25,20-22-8-4-2-5-9-22)27-18-16-26(17-19-27)21-23-10-6-3-7-11-23/h3,6-7,10-11,22H,2,4-5,8-9,12-21H2,1H3
SMILES: COC(=O)N1CCCC(CC(C)C)(N2CCNCC2)C1
SELFIES: [C][O][C][=Branch1][C][=O][N][C][C][C][C][Branch1][#Branch1][C][C][Branch1][C][C][C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][C][Ring1][S]
InChI: InChI=1S/C15H29N3O2/c1-13(2)11-15(18-9-6-16-7-10-18)5-4-8-17(12-15)14(19)20-3/h13,16H,4-12H2,1-3H3
SMILES: CN1CCC(c2ccccc2)(N2CCN(C(=O)[C@H](N)Cc3ccc(Cl)cc3)CC2)CC1
SELFIES: [C][N][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch2][Ring1][P][N][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][C][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][C][C][C][Ring2][Ring1][=C]
InChI: InChI=1S/C25H33ClN4O/c1-28-13-11-25(12-14-28,21-5-3-2-4-6-21)30-17-15-29(16-18-30)24(31)23(27)19-20-7-9-22(26)10-8-20/h2-10,23H,11-19,27H2,1H3/t23-/m1/s1
SMILES: CC(C)CC1(N2CCN(C(=O)[C@H](N)Cc3ccc(Cl)cc3)CC2)CCOCC1
SELFIES: [C][C][Branch1][C][C][C][C][Branch2][Ring1][P][N][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][C][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][C][C][C][O][C][C][Ring2][Ring1][Branch2]
InChI: InChI=1S/C22H34ClN3O2/c1-17(2)16-22(7-13-28-14-8-22)26-11-9-25(10-12-26)21(27)20(24)15-18-3-5-19(23)6-4-18/h3-6,17,20H,7-16,24H2,1-2H3/t20-/m1/s1
SMILES: CN1CCC(Cc2ccccc2)(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)CC3c4ccccc4CN3C)CC2)CC1
SELFIES: [C][N][C][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch2][Branch1][Ring2][N][C][C][N][Branch2][Ring2][Branch2][C][=Branch1][C][=O][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][=Branch2][C][C][C][Ring2][Ring1][#C][C][C][Ring2][Ring2][N]
InChI: InChI=1S/C37H46ClN5O2/c1-40-18-16-37(17-19-40,26-29-8-4-3-5-9-29)43-22-20-42(21-23-43)36(45)33(24-28-12-14-31(38)15-13-28)39-35(44)25-34-32-11-7-6-10-30(32)27-41(34)2/h3-15,33-34H,16-27H2,1-2H3,(H,39,44)/t33-,34?/m1/s1
SMILES: c1ccc(CC2(N3CCNCC3)CCNCC2)cc1
SELFIES: [C][=C][C][=C][Branch2][Ring1][Ring2][C][C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][C][C][N][C][C][Ring1][N][C][=C][Ring2][Ring1][Ring1]
InChI: InChI=1S/C16H25N3/c1-2-4-15(5-3-1)14-16(6-8-17-9-7-16)19-12-10-18-11-13-19/h1-5,17-18H,6-14H2
SMILES: CCN(CC)C(=O)c1ccc(C(c2cccc(O)c2)N2C[C@@H](C)N(Cc3ccc(C(=O)O)cc3)C[C@@H]2C)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][=N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][N][C][C@@H1][Branch1][C][C][N][Branch1][P][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][C@@H1][Ring1][P][C][C][=C][Ring2][Ring1][S]
InChI: InChI=1S/C32H39N3O4/c1-5-33(6-2)31(37)26-16-14-25(15-17-26)30(28-8-7-9-29(36)18-28)35-20-22(3)34(19-23(35)4)21-24-10-12-27(13-11-24)32(38)39/h7-18,22-23,30,36H,5-6,19-21H2,1-4H3,(H,38,39)/t22-,23+,30?/m1/s1
SMILES: CCN(CC)C(=O)c1ccc(C(c2cccc(O)c2)N2C[C@@H](C)N(Cc3cccc(C(=O)O)c3)C[C@@H]2C)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][=N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][N][C][C@@H1][Branch1][C][C][N][Branch1][P][C][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][C][C@@H1][Ring1][P][C][C][=C][Ring2][Ring1][S]
InChI: InChI=1S/C32H39N3O4/c1-5-33(6-2)31(37)26-15-13-25(14-16-26)30(27-10-8-12-29(36)18-27)35-20-22(3)34(19-23(35)4)21-24-9-7-11-28(17-24)32(38)39/h7-18,22-23,30,36H,5-6,19-21H2,1-4H3,(H,38,39)/t22-,23+,30?/m1/s1
SMILES: Cc1cc(F)ccc1-c1nc(NCCNC(=O)CNC(=O)OC(C)(C)C)nc2c1ccc(=O)n2-c1c(F)cccc1F
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch2][Ring1][Branch2][N][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][=N][C][=C][Ring2][Ring1][Branch1][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F]
InChI: InChI=1S/C29H29F3N6O4/c1-16-14-17(30)8-9-18(16)24-19-10-11-23(40)38(25-20(31)6-5-7-21(25)32)26(19)37-27(36-24)34-13-12-33-22(39)15-35-28(41)42-29(2,3)4/h5-11,14H,12-13,15H2,1-4H3,(H,33,39)(H,35,41)(H,34,36,37)
SMILES: Cc1cc(F)ccc1-c1nc(NCC2CCS(=O)(=O)C2)nc2c1ccc(=O)n2-c1c(F)cccc1F
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][S][N][C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1][=N][C][=C][Ring1][#C][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F]
InChI: InChI=1S/C25H21F3N4O3S/c1-14-11-16(26)5-6-17(14)22-18-7-8-21(33)32(23-19(27)3-2-4-20(23)28)24(18)31-25(30-22)29-12-15-9-10-36(34,35)13-15/h2-8,11,15H,9-10,12-13H2,1H3,(H,29,30,31)
SMILES: Cc1cc(F)ccc1-c1nc(NC2CCOC2)nc2c1ccc(=O)n2-c1c(F)cccc1F
SELFIES: [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][=Branch2][N][C][C][C][O][C][Ring1][Branch1][=N][C][=C][Ring1][N][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F]
InChI: InChI=1S/C24H19F3N4O2/c1-13-11-14(25)5-6-16(13)21-17-7-8-20(32)31(22-18(26)3-2-4-19(22)27)23(17)30-24(29-21)28-15-9-10-33-12-15/h2-8,11,15H,9-10,12H2,1H3,(H,28,29,30)
SMILES: CCOP(=O)(OCC)C(NC(=O)OCc1ccccc1)C(=O)OC
SELFIES: [C][C][O][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][C][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C]
InChI: InChI=1S/C15H22NO7P/c1-4-22-24(19,23-5-2)13(14(17)20-3)16-15(18)21-11-12-9-7-6-8-10-12/h6-10,13H,4-5,11H2,1-3H3,(H,16,18)
SMILES: Nc1ccc(-c2ccccc2)nc1
SELFIES: [N][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][N]
InChI: InChI=1S/C11H10N2/c12-10-6-7-11(13-8-10)9-4-2-1-3-5-9/h1-8H,12H2
SMILES: Nc1ccc(-c2ccccc2)nc1Br
SELFIES: [N][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][N][Br]
InChI: InChI=1S/C11H9BrN2/c12-11-9(13)6-7-10(14-11)8-4-2-1-3-5-8/h1-7H,13H2
SMILES: CC(C)(C)OC(=O)Nc1ccc(-c2ccccc2)nc1Br
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][N][Br]
InChI: InChI=1S/C16H17BrN2O2/c1-16(2,3)21-15(20)19-13-10-9-12(18-14(13)17)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,19,20)
SMILES: CC(C)(C)OC(=O)Nc1ccc(-c2ccccc2)nc1C=O
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][N][C][=O]
InChI: InChI=1S/C17H18N2O3/c1-17(2,3)22-16(21)19-14-10-9-13(18-15(14)11-20)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,19,21)
SMILES: COC(=O)/C(=C/c1nc(-c2ccccc2)ccc1NC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1
SELFIES: [C][O][C][=Branch1][C][=O][/C][=Branch2][Ring2][C][=C][/C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][N][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C28H29N3O6/c1-28(2,3)37-27(34)30-22-16-15-21(20-13-9-6-10-14-20)29-23(22)17-24(25(32)35-4)31-26(33)36-18-19-11-7-5-8-12-19/h5-17H,18H2,1-4H3,(H,30,34)(H,31,33)/b24-17-
SMILES: COC(=O)C(Cc1nc(-c2ccccc2)ccc1NC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1
SELFIES: [C][O][C][=Branch1][C][=O][C][Branch2][Ring2][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][N][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C28H31N3O6/c1-28(2,3)37-27(34)30-22-16-15-21(20-13-9-6-10-14-20)29-23(22)17-24(25(32)35-4)31-26(33)36-18-19-11-7-5-8-12-19/h5-16,24H,17-18H2,1-4H3,(H,30,34)(H,31,33)
SMILES: CC(C)(C)OC(=O)Nc1ccc(-c2ccccc2)nc1CO
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][N][C][O]
InChI: InChI=1S/C17H20N2O3/c1-17(2,3)22-16(21)19-14-10-9-13(18-15(14)11-20)12-7-5-4-6-8-12/h4-10,20H,11H2,1-3H3,(H,19,21)
SMILES: CC(C)(C)OC(=O)Nc1ccc(-c2ccccc2)nc1CBr
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][N][C][Br]
InChI: InChI=1S/C17H19BrN2O2/c1-17(2,3)22-16(21)20-14-10-9-13(19-15(14)11-18)12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,20,21)
SMILES: CCOC(=O)C(Cc1nc(-c2ccccc2)ccc1NC(=O)OC(C)(C)C)N=C(c1ccccc1)c1ccccc1
SELFIES: [C][C][O][C][=Branch1][C][=O][C][Branch2][Ring2][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][N][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C34H35N3O4/c1-5-40-32(38)30(36-31(25-17-11-7-12-18-25)26-19-13-8-14-20-26)23-29-28(37-33(39)41-34(2,3)4)22-21-27(35-29)24-15-9-6-10-16-24/h6-22,30H,5,23H2,1-4H3,(H,37,39)
SMILES: CCOC(=O)C(N)Cc1nc(-c2ccccc2)ccc1NC(=O)OC(C)(C)C
SELFIES: [C][C][O][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][N][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]
InChI: InChI=1S/C21H27N3O4/c1-5-27-19(25)15(22)13-18-17(24-20(26)28-21(2,3)4)12-11-16(23-18)14-9-7-6-8-10-14/h6-12,15H,5,13,22H2,1-4H3,(H,24,26)
SMILES: CCOC(=O)C(Cc1nc(-c2ccccc2)ccc1NC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1
SELFIES: [C][C][O][C][=Branch1][C][=O][C][Branch2][Ring2][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][N][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C29H33N3O6/c1-5-36-26(33)25(32-27(34)37-19-20-12-8-6-9-13-20)18-24-23(31-28(35)38-29(2,3)4)17-16-22(30-24)21-14-10-7-11-15-21/h6-17,25H,5,18-19H2,1-4H3,(H,31,35)(H,32,34)
SMILES: O=C(NC1Cc2nc(-c3ccccc3)ccc2N(Cc2ccccc2)C1=O)OCc1ccccc1
SELFIES: [O][=C][Branch2][Ring2][#Branch1][N][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][#Branch1][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C29H25N3O3/c33-28-26(31-29(34)35-20-22-12-6-2-7-13-22)18-25-27(32(28)19-21-10-4-1-5-11-21)17-16-24(30-25)23-14-8-3-9-15-23/h1-17,26H,18-20H2,(H,31,34)
SMILES: NC1Cc2nc(-c3ccccc3)ccc2N(Cc2ccccc2)C1=O
SELFIES: [N][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][#Branch1][=O]
InChI: InChI=1S/C21H19N3O/c22-17-13-19-20(12-11-18(23-19)16-9-5-2-6-10-16)24(21(17)25)14-15-7-3-1-4-8-15/h1-12,17H,13-14,22H2
SMILES: O=C1[C@H](NS(=O)(=O)c2ccccc2)Cc2nc(-c3ccccc3)ccc2N1Cc1ccccc1
SELFIES: [O][=C][C@H1][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][N][N][Ring2][Ring1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C27H23N3O3S/c31-27-25(29-34(32,33)22-14-8-3-9-15-22)18-24-26(30(27)19-20-10-4-1-5-11-20)17-16-23(28-24)21-12-6-2-7-13-21/h1-17,25,29H,18-19H2/t25-/m1/s1
SMILES: O=C1[C@@H](NS(=O)(=O)c2ccccc2)Cc2nc(-c3ccccc3)ccc2N1Cc1ccccc1
SELFIES: [O][=C][C@@H1][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][N][N][Ring2][Ring1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C27H23N3O3S/c31-27-25(29-34(32,33)22-14-8-3-9-15-22)18-24-26(30(27)19-20-10-4-1-5-11-20)17-16-23(28-24)21-12-6-2-7-13-21/h1-17,25,29H,18-19H2/t25-/m0/s1
SMILES: O=C1[C@H](NS(=O)(=O)c2cccc(F)c2)Cc2nc(-c3ccccc3)ccc2N1Cc1ccccc1
SELFIES: [O][=C][C@H1][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][N][N][Ring2][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C27H22FN3O3S/c28-21-12-7-13-22(16-21)35(33,34)30-25-17-24-26(15-14-23(29-24)20-10-5-2-6-11-20)31(27(25)32)18-19-8-3-1-4-9-19/h1-16,25,30H,17-18H2/t25-/m1/s1
SMILES: O=C1[C@@H](NS(=O)(=O)c2cccc(F)c2)Cc2nc(-c3ccccc3)ccc2N1Cc1ccccc1
SELFIES: [O][=C][C@@H1][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][N][N][Ring2][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C27H22FN3O3S/c28-21-12-7-13-22(16-21)35(33,34)30-25-17-24-26(15-14-23(29-24)20-10-5-2-6-11-20)31(27(25)32)18-19-8-3-1-4-9-19/h1-16,25,30H,17-18H2/t25-/m0/s1
SMILES: O=S(=O)(N[C@@H]1Cc2nc(-c3ccccc3)ccc2N(Cc2ccccc2)C1)c1ccccc1
SELFIES: [O][=S][=Branch1][C][=O][Branch2][Ring2][=Branch1][N][C@@H1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C27H25N3O2S/c31-33(32,24-14-8-3-9-15-24)29-23-18-26-27(30(20-23)19-21-10-4-1-5-11-21)17-16-25(28-26)22-12-6-2-7-13-22/h1-17,23,29H,18-20H2/t23-/m1/s1
SMILES: O=S(=O)(N[C@H]1Cc2nc(-c3ccccc3)ccc2N(Cc2ccccc2)C1)c1ccccc1
SELFIES: [O][=S][=Branch1][C][=O][Branch2][Ring2][=Branch1][N][C@H1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C27H25N3O2S/c31-33(32,24-14-8-3-9-15-24)29-23-18-26-27(30(20-23)19-21-10-4-1-5-11-21)17-16-25(28-26)22-12-6-2-7-13-22/h1-17,23,29H,18-20H2/t23-/m0/s1
SMILES: O=S(=O)(N[C@@H]1Cc2nc(-c3ccccc3)ccc2N(Cc2ccccc2)C1)c1cccc(F)c1
SELFIES: [O][=S][=Branch1][C][=O][Branch2][Ring2][=Branch1][N][C@@H1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][#Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1]
InChI: InChI=1S/C27H24FN3O2S/c28-22-12-7-13-24(16-22)34(32,33)30-23-17-26-27(31(19-23)18-20-8-3-1-4-9-20)15-14-25(29-26)21-10-5-2-6-11-21/h1-16,23,30H,17-19H2/t23-/m1/s1
SMILES: O=S(=O)(N[C@H]1Cc2nc(-c3ccccc3)ccc2N(Cc2ccccc2)C1)c1cccc(F)c1
SELFIES: [O][=S][=Branch1][C][=O][Branch2][Ring2][=Branch1][N][C@H1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][#Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1]
InChI: InChI=1S/C27H24FN3O2S/c28-22-12-7-13-24(16-22)34(32,33)30-23-17-26-27(31(19-23)18-20-8-3-1-4-9-20)15-14-25(29-26)21-10-5-2-6-11-21/h1-16,23,30H,17-19H2/t23-/m0/s1
SMILES: O=C1Nc2ccccc2C2(CCN(Cc3ccccc3)CC2)N1
SELFIES: [O][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][Ring1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][N][Ring2][Ring1][=Branch1]
InChI: InChI=1S/C19H21N3O/c23-18-20-17-9-5-4-8-16(17)19(21-18)10-12-22(13-11-19)14-15-6-2-1-3-7-15/h1-9H,10-14H2,(H2,20,21,23)
SMILES: O=C1Nc2ccccc2C2(CCNCC2)N1
SELFIES: [O][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Branch2][C][C][N][C][C][Ring1][=Branch1][N][Ring1][#C]
InChI: InChI=1S/C12H15N3O/c16-11-14-10-4-2-1-3-9(10)12(15-11)5-7-13-8-6-12/h1-4,13H,5-8H2,(H2,14,15,16)
SMILES: CC(C)(C)OC(=O)N1CCC(N)(C#N)CC1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][C][N][Branch1][Ring1][C][#N][C][C][Ring1][=Branch2]
InChI: InChI=1S/C11H19N3O2/c1-10(2,3)16-9(15)14-6-4-11(13,8-12)5-7-14/h4-7,13H2,1-3H3
SMILES: O=C1NC(c2ccccc2)=NC12CCNCC2
SELFIES: [O][=C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Ring1][O][C][C][N][C][C][Ring1][=Branch1]
InChI: InChI=1S/C13H15N3O/c17-12-13(6-8-14-9-7-13)16-11(15-12)10-4-2-1-3-5-10/h1-5,14H,6-9H2,(H,15,16,17)
SMILES: CC(C)(C)OC(=O)n1ncc2cc(C=O)ccc21
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][N][=C][C][=C][C][Branch1][Ring1][C][=O][=C][C][=C][Ring1][Branch2][Ring1][O]
InChI: InChI=1S/C13H14N2O3/c1-13(2,3)18-12(17)15-11-5-4-9(8-16)6-10(11)7-14-15/h4-8H,1-3H3
SMILES: COC(=O)/C(=C/c1ccc2c(cnn2C(=O)OC(C)(C)C)c1)NC(=O)OCc1ccccc1
SELFIES: [C][O][C][=Branch1][C][=O][/C][=Branch2][Ring1][#C][=C][/C][=C][C][=C][C][Branch2][Ring1][Ring1][C][=N][N][Ring1][Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C24H25N3O6/c1-24(2,3)33-23(30)27-20-11-10-17(12-18(20)14-25-27)13-19(21(28)31-4)26-22(29)32-15-16-8-6-5-7-9-16/h5-14H,15H2,1-4H3,(H,26,29)/b19-13-
SMILES: COC(=O)C(N)Cc1ccc2c(cnn2C(=O)OC(C)(C)C)c1
SELFIES: [C][O][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][=N][N][Ring1][Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][S]
InChI: InChI=1S/C16H21N3O4/c1-16(2,3)23-15(21)19-13-6-5-10(7-11(13)9-18-19)8-12(17)14(20)22-4/h5-7,9,12H,8,17H2,1-4H3
SMILES: COC(=O)C(Cc1ccc2c(cnn2C(=O)OC(C)(C)C)c1)NC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1
SELFIES: [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][#C][C][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][=N][N][Ring1][Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][S][N][C][=Branch1][C][=O][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P]
InChI: InChI=1S/C30H36N6O6/c1-30(2,3)42-29(40)36-25-10-9-19(15-21(25)17-31-36)16-24(26(37)41-4)33-27(38)34-13-11-22(12-14-34)35-18-20-7-5-6-8-23(20)32-28(35)39/h5-10,15,17,22,24H,11-14,16,18H2,1-4H3,(H,32,39)(H,33,38)
SMILES: O=C(O)C(Cc1ccc2[nH]ncc2c1)NC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1
SELFIES: [O][=C][Branch1][C][O][C][Branch1][#C][C][C][=C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P]
InChI: InChI=1S/C24H26N6O4/c31-22(32)21(12-15-5-6-20-17(11-15)13-25-28-20)27-23(33)29-9-7-18(8-10-29)30-14-16-3-1-2-4-19(16)26-24(30)34/h1-6,11,13,18,21H,7-10,12,14H2,(H,25,28)(H,26,34)(H,27,33)(H,31,32)
SMILES: O=C(N[C@H](Cc1ccc2[nH]ncc2c1)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1
SELFIES: [O][=C][Branch2][Ring2][=Branch2][N][C@H1][Branch1][#C][C][C][=C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P]
InChI: InChI=1S/C34H44N8O3/c43-32(40-16-10-27(11-17-40)39-14-4-1-5-15-39)31(21-24-8-9-30-26(20-24)22-35-38-30)37-33(44)41-18-12-28(13-19-41)42-23-25-6-2-3-7-29(25)36-34(42)45/h2-3,6-9,20,22,27-28,31H,1,4-5,10-19,21,23H2,(H,35,38)(H,36,45)(H,37,44)/t31-/m1/s1
SMILES: O=C(NC(Cc1ccc2[nH]ccc2c1)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
SELFIES: [O][=C][Branch2][Ring2][=Branch2][N][C][Branch1][#C][C][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][N][C][C][C][Branch1][P][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][C][Ring1][S]
InChI: InChI=1S/C34H43N7O3/c42-32(39-18-11-26(12-19-39)38-16-4-1-5-17-38)30(23-24-8-9-28-25(22-24)10-15-35-28)37-33(43)40-20-13-27(14-21-40)41-31-7-3-2-6-29(31)36-34(41)44/h2-3,6-10,15,22,26-27,30,35H,1,4-5,11-14,16-21,23H2,(H,36,44)(H,37,43)
SMILES: O=C(NC(Cc1ccc2[nH]ncc2c1)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
SELFIES: [O][=C][Branch2][Ring2][=Branch2][N][C][Branch1][#C][C][C][=C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][N][C][C][C][Branch1][P][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][C][Ring1][S]
InChI: InChI=1S/C33H42N8O3/c42-31(39-16-10-25(11-17-39)38-14-4-1-5-15-38)29(21-23-8-9-27-24(20-23)22-34-37-27)36-32(43)40-18-12-26(13-19-40)41-30-7-3-2-6-28(30)35-33(41)44/h2-3,6-9,20,22,25-26,29H,1,4-5,10-19,21H2,(H,34,37)(H,35,44)(H,36,43)
SMILES: O=C(NC(Cc1ccc2[nH]ccc2c1)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1
SELFIES: [O][=C][Branch2][Ring2][=Branch2][N][C][Branch1][#C][C][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P]
InChI: InChI=1S/C35H45N7O3/c43-33(40-18-11-28(12-19-40)39-16-4-1-5-17-39)32(23-25-8-9-30-26(22-25)10-15-36-30)38-34(44)41-20-13-29(14-21-41)42-24-27-6-2-3-7-31(27)37-35(42)45/h2-3,6-10,15,22,28-29,32,36H,1,4-5,11-14,16-21,23-24H2,(H,37,45)(H,38,44)
SMILES: O=C(NC(Cc1ccc2[nH]ncc2c1)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1
SELFIES: [O][=C][Branch2][Ring2][=Branch2][N][C][Branch1][#C][C][C][=C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P]
InChI: InChI=1S/C34H44N8O3/c43-32(40-16-10-27(11-17-40)39-14-4-1-5-15-39)31(21-24-8-9-30-26(20-24)22-35-38-30)37-33(44)41-18-12-28(13-19-41)42-23-25-6-2-3-7-29(25)36-34(42)45/h2-3,6-9,20,22,27-28,31H,1,4-5,10-19,21,23H2,(H,35,38)(H,36,45)(H,37,44)
SMILES: CC(C)CN1CCN(C(=O)C(Cc2ccc3[nH]ccc3c2)NC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1
SELFIES: [C][C][Branch1][C][C][C][N][C][C][N][Branch2][Branch1][Branch1][C][=Branch1][C][=O][C][Branch1][#C][C][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][C][C][Branch1][P][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][C][Ring1][S][C][C][Ring2][Ring2][=Branch1]
InChI: InChI=1S/C32H41N7O3/c1-22(2)21-36-15-17-37(18-16-36)30(40)28(20-23-7-8-26-24(19-23)9-12-33-26)35-31(41)38-13-10-25(11-14-38)39-29-6-4-3-5-27(29)34-32(39)42/h3-9,12,19,22,25,28,33H,10-11,13-18,20-21H2,1-2H3,(H,34,42)(H,35,41)