EdisonScientific/glyph-datasets huggingface dataset:
SMILES: O=C(Nc1ccc(Oc2cccc(C(F)(F)F)c2)cc1)c1nc(Br)ccc1O
SELFIES: [O][=C][Branch2][Ring1][S][N][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][Ring1][P][C][=N][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O]
InChI: InChI=1S/C19H12BrF3N2O3/c20-16-9-8-15(26)17(25-16)18(27)24-12-4-6-13(7-5-12)28-14-3-1-2-11(10-14)19(21,22)23/h1-10,26H,(H,24,27)
SMILES: O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)c1nc(Br)ccc1O
SELFIES: [O][=C][Branch2][Ring1][S][N][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring1][P][C][=N][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O]
InChI: InChI=1S/C19H12BrF3N2O3/c20-16-10-9-15(26)17(25-16)18(27)24-12-3-7-14(8-4-12)28-13-5-1-11(2-6-13)19(21,22)23/h1-10,26H,(H,24,27)
SMILES: N#Cc1ccc(Oc2cccc(NC(=O)c3nc(Br)ccc3O)c2)cc1
SELFIES: [N][#C][C][=C][C][=C][Branch2][Ring1][=C][O][C][=C][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=N][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][=C][Ring1][P][C][=C][Ring2][Ring1][Branch2]
InChI: InChI=1S/C19H12BrN3O3/c20-17-9-8-16(24)18(23-17)19(25)22-13-2-1-3-15(10-13)26-14-6-4-12(11-21)5-7-14/h1-10,24H,(H,22,25)
SMILES: COc1cc(Br)nc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C3CCCCC3)[C@H](C)OC2=O)c1O
SELFIES: [C][O][C][=C][C][Branch1][C][Br][=N][C][Branch2][Branch1][Ring1][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][=C][O][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C@H1][Branch1][C][C][O][C][Ring2][Ring1][O][=O][=C][Ring2][Ring2][=Branch1][O]
InChI: InChI=1S/C29H33BrN2O9/c1-16-25(41-27(35)18-11-7-4-8-12-18)19(13-17-9-5-3-6-10-17)28(36)39-15-20(29(37)40-16)31-26(34)23-24(33)21(38-2)14-22(30)32-23/h3,5-6,9-10,14,16,18-20,25,33H,4,7-8,11-13,15H2,1-2H3,(H,31,34)/t16-,19+,20-,25-/m0/s1
SMILES: CC1(C)CC(NC(=O)c2cnccc2O)CC(C)(C)C1
SELFIES: [C][C][Branch1][C][C][C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][Ring1]
InChI: InChI=1S/C16H24N2O2/c1-15(2)7-11(8-16(3,4)10-15)18-14(20)12-9-17-6-5-13(12)19/h5-6,9,11H,7-8,10H2,1-4H3,(H,17,19)(H,18,20)
SMILES: CC(C)C(=O)O[C@H]1[C@H](C)OC(=O)[C@@H](NC(=O)c2cnccc2O)COC(=O)[C@@H]1Cc1ccccc1
SELFIES: [C][C][Branch1][C][C][C][=Branch1][C][=O][O][C@H1][C@H1][Branch1][C][C][O][C][=Branch1][C][=O][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][Ring1][=Branch1][O][C][O][C][=Branch1][C][=O][C@@H1][Ring2][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C25H28N2O8/c1-14(2)23(30)35-21-15(3)34-25(32)19(27-22(29)18-12-26-10-9-20(18)28)13-33-24(31)17(21)11-16-7-5-4-6-8-16/h4-10,12,14-15,17,19,21H,11,13H2,1-3H3,(H,26,28)(H,27,29)/t15-,17+,19-,21-/m0/s1
SMILES: CC(C)(C)C1CCC(NC(=O)c2cnccc2O)CC1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][Ring1][=Branch1][O][C][C][Ring1][S]
InChI: InChI=1S/C16H24N2O2/c1-16(2,3)11-4-6-12(7-5-11)18-15(20)13-10-17-9-8-14(13)19/h8-12H,4-7H2,1-3H3,(H,17,19)(H,18,20)
SMILES: CC1(C)CC(NC(=O)c2ccncc2O)CC(C)(C)C1
SELFIES: [C][C][Branch1][C][C][C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][Ring1]
InChI: InChI=1S/C16H24N2O2/c1-15(2)7-11(8-16(3,4)10-15)18-14(20)12-5-6-17-9-13(12)19/h5-6,9,11,19H,7-8,10H2,1-4H3,(H,18,20)
SMILES: O=C(NCc1ccccc1)c1ccncc1O
SELFIES: [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][O]
InChI: InChI=1S/C13H12N2O2/c16-12-9-14-7-6-11(12)13(17)15-8-10-4-2-1-3-5-10/h1-7,9,16H,8H2,(H,15,17)
SMILES: O=C(NCc1ccc(Cl)cc1)c1ccncc1O
SELFIES: [O][=C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][O]
InChI: InChI=1S/C13H11ClN2O2/c14-10-3-1-9(2-4-10)7-16-13(18)11-5-6-15-8-12(11)17/h1-6,8,17H,7H2,(H,16,18)
SMILES: COc1ccc(C(C)NC(=O)c2ccncc2O)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][O][C][=C][Ring2][Ring1][C]
InChI: InChI=1S/C15H16N2O3/c1-10(11-3-5-12(20-2)6-4-11)17-15(19)13-7-8-16-9-14(13)18/h3-10,18H,1-2H3,(H,17,19)
SMILES: CC(NC(=O)c1ccncc1O)c1ccc(Cl)cc1
SELFIES: [C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C14H13ClN2O2/c1-9(10-2-4-11(15)5-3-10)17-14(19)12-6-7-16-8-13(12)18/h2-9,18H,1H3,(H,17,19)
SMILES: CC(NC(=O)c1ccncc1O)c1ccc(C(F)(F)F)cc1
SELFIES: [C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2]
InChI: InChI=1S/C15H13F3N2O2/c1-9(10-2-4-11(5-3-10)15(16,17)18)20-14(22)12-6-7-19-8-13(12)21/h2-9,21H,1H3,(H,20,22)
SMILES: CC(NC(=O)c1ccncc1O)c1ccc(OC(F)(F)F)cc1
SELFIES: [C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O]
InChI: InChI=1S/C15H13F3N2O3/c1-9(20-14(22)12-6-7-19-8-13(12)21)10-2-4-11(5-3-10)23-15(16,17)18/h2-9,21H,1H3,(H,20,22)
SMILES: CC(NC(=O)c1ccncc1O)c1ccc(Oc2ccccc2)cc1
SELFIES: [C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N]
InChI: InChI=1S/C20H18N2O3/c1-14(22-20(24)18-11-12-21-13-19(18)23)15-7-9-17(10-8-15)25-16-5-3-2-4-6-16/h2-14,23H,1H3,(H,22,24)
SMILES: CC(C)C(=O)O[C@H]1[C@H](C)OC(=O)[C@@H](NC(=O)c2ccncc2O)COC(=O)[C@@H]1Cc1ccccc1
SELFIES: [C][C][Branch1][C][C][C][=Branch1][C][=O][O][C@H1][C@H1][Branch1][C][C][O][C][=Branch1][C][=O][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][O][C][O][C][=Branch1][C][=O][C@@H1][Ring2][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C25H28N2O8/c1-14(2)23(30)35-21-15(3)34-25(32)19(27-22(29)17-9-10-26-12-20(17)28)13-33-24(31)18(21)11-16-7-5-4-6-8-16/h4-10,12,14-15,18-19,21,28H,11,13H2,1-3H3,(H,27,29)/t15-,18+,19-,21-/m0/s1
SMILES: CC(C)(C)CNC(=O)c1cccnc1O
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][O]
InChI: InChI=1S/C11H16N2O2/c1-11(2,3)7-13-10(15)8-5-4-6-12-9(8)14/h4-6H,7H2,1-3H3,(H,12,14)(H,13,15)
SMILES: O=C(NC1CCCCC1)c1cccnc1O
SELFIES: [O][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][O]
InChI: InChI=1S/C12H16N2O2/c15-11-10(7-4-8-13-11)12(16)14-9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,13,15)(H,14,16)
SMILES: COc1cccc(CNC(=O)c2cccnc2O)c1OC
SELFIES: [C][O][C][=C][C][=C][C][Branch1][S][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][O][=C][Ring1][P][O][C]
InChI: InChI=1S/C15H16N2O4/c1-20-12-7-3-5-10(13(12)21-2)9-17-15(19)11-6-4-8-16-14(11)18/h3-8H,9H2,1-2H3,(H,16,18)(H,17,19)
SMILES: O=C(NCc1ccc(Cl)c(Cl)c1)c1cccnc1O
SELFIES: [O][=C][Branch1][P][N][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][O]
InChI: InChI=1S/C13H10Cl2N2O2/c14-10-4-3-8(6-11(10)15)7-17-13(19)9-2-1-5-16-12(9)18/h1-6H,7H2,(H,16,18)(H,17,19)
SMILES: O=C(NCCc1ccc(Cl)cc1)c1cccnc1O
SELFIES: [O][=C][Branch1][#C][N][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][O]
InChI: InChI=1S/C14H13ClN2O2/c15-11-5-3-10(4-6-11)7-9-17-14(19)12-2-1-8-16-13(12)18/h1-6,8H,7,9H2,(H,16,18)(H,17,19)
SMILES: O=C(NC(Cc1ccccc1)c1ccccc1)c1cccnc1O
SELFIES: [O][=C][Branch2][Ring1][=Branch1][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][O]
InChI: InChI=1S/C20H18N2O2/c23-19-17(12-7-13-21-19)20(24)22-18(16-10-5-2-6-11-16)14-15-8-3-1-4-9-15/h1-13,18H,14H2,(H,21,23)(H,22,24)
SMILES: O=C(Nc1ccccc1Oc1ccccc1)c1cccnc1O
SELFIES: [O][=C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][O]
InChI: InChI=1S/C18H14N2O3/c21-17-14(9-6-12-19-17)18(22)20-15-10-4-5-11-16(15)23-13-7-2-1-3-8-13/h1-12H,(H,19,21)(H,20,22)
SMILES: O=C(Nc1cccc(Oc2ccccc2)c1)c1cccnc1O
SELFIES: [O][=C][Branch2][Ring1][Branch1][N][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N][C][=C][C][=C][N][=C][Ring1][=Branch1][O]
InChI: InChI=1S/C18H14N2O3/c21-17-16(10-5-11-19-17)18(22)20-13-6-4-9-15(12-13)23-14-7-2-1-3-8-14/h1-12H,(H,19,21)(H,20,22)
SMILES: O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccnc1O
SELFIES: [O][=C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][C][=C][C][=C][N][=C][Ring1][=Branch1][O]
InChI: InChI=1S/C18H14N2O3/c21-17-16(7-4-12-19-17)18(22)20-13-8-10-15(11-9-13)23-14-5-2-1-3-6-14/h1-12H,(H,19,21)(H,20,22)
SMILES: Cc1ccc(C(=O)NC2CC(C)(C)CC(C)(C)C2)c(O)n1
SELFIES: [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2][C][Branch1][C][O][=N][Ring2][Ring1][Ring2]
InChI: InChI=1S/C17H26N2O2/c1-11-6-7-13(14(20)18-11)15(21)19-12-8-16(2,3)10-17(4,5)9-12/h6-7,12H,8-10H2,1-5H3,(H,18,20)(H,19,21)
SMILES: Cc1ccc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c(O)n1
SELFIES: [C][C][=C][C][=C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][C][Branch1][C][O][=N][Ring2][Ring2][Ring1]
InChI: InChI=1S/C26H30N2O8/c1-14(2)24(31)36-21-16(4)35-26(33)20(28-23(30)18-11-10-15(3)27-22(18)29)13-34-25(32)19(21)12-17-8-6-5-7-9-17/h5-11,14,16,19-21H,12-13H2,1-4H3,(H,27,29)(H,28,30)/t16-,19+,20-,21-/m0/s1
SMILES: CC1(C)CC(NC(=O)c2cc(O)cnc2O)CC(C)(C)C1
SELFIES: [C][C][Branch1][C][C][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][N][=C][Ring1][#Branch1][O][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][Ring2]
InChI: InChI=1S/C16H24N2O3/c1-15(2)6-10(7-16(3,4)9-15)18-14(21)12-5-11(19)8-17-13(12)20/h5,8,10,19H,6-7,9H2,1-4H3,(H,17,20)(H,18,21)
SMILES: CC(C)C(=O)O[C@H]1[C@H](C)OC(=O)[C@@H](NC(=O)c2cc(O)cnc2O)COC(=O)[C@@H]1Cc1ccccc1
SELFIES: [C][C][Branch1][C][C][C][=Branch1][C][=O][O][C@H1][C@H1][Branch1][C][C][O][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][N][=C][Ring1][#Branch1][O][C][O][C][=Branch1][C][=O][C@@H1][Ring2][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C25H28N2O9/c1-13(2)23(31)36-20-14(3)35-25(33)19(27-22(30)18-10-16(28)11-26-21(18)29)12-34-24(32)17(20)9-15-7-5-4-6-8-15/h4-8,10-11,13-14,17,19-20,28H,9,12H2,1-3H3,(H,26,29)(H,27,30)/t14-,17+,19-,20-/m0/s1
SMILES: Cc1cc(C)c(C(=O)NC2CC(C)(C)CC(C)(C)C2)c(O)n1
SELFIES: [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2][C][Branch1][C][O][=N][Ring2][Ring1][Branch1]
InChI: InChI=1S/C18H28N2O2/c1-11-7-12(2)19-15(21)14(11)16(22)20-13-8-17(3,4)10-18(5,6)9-13/h7,13H,8-10H2,1-6H3,(H,19,21)(H,20,22)
SMILES: Cc1cc(C)c(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c(O)n1
SELFIES: [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][C][Branch1][C][O][=N][Ring2][Ring2][Ring2]
InChI: InChI=1S/C27H32N2O8/c1-14(2)25(32)37-22-17(5)36-27(34)20(29-24(31)21-15(3)11-16(4)28-23(21)30)13-35-26(33)19(22)12-18-9-7-6-8-10-18/h6-11,14,17,19-20,22H,12-13H2,1-5H3,(H,28,30)(H,29,31)/t17-,19+,20-,22-/m0/s1
SMILES: Cc1nc(O)c(C(=O)NC2CC(C)(C)CC(C)(C)C2)cc1Cl
SELFIES: [C][C][=N][C][Branch1][C][O][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2][Cl]
InChI: InChI=1S/C17H25ClN2O2/c1-10-13(18)6-12(14(21)19-10)15(22)20-11-7-16(2,3)9-17(4,5)8-11/h6,11H,7-9H2,1-5H3,(H,19,21)(H,20,22)
SMILES: Cc1nc(O)c(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)cc1Cl
SELFIES: [C][C][=N][C][Branch1][C][O][=C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][C][=C][Ring2][Ring2][Ring1][Cl]
InChI: InChI=1S/C26H29ClN2O8/c1-13(2)24(32)37-21-15(4)36-26(34)20(29-23(31)18-11-19(27)14(3)28-22(18)30)12-35-25(33)17(21)10-16-8-6-5-7-9-16/h5-9,11,13,15,17,20-21H,10,12H2,1-4H3,(H,28,30)(H,29,31)/t15-,17+,20-,21-/m0/s1
SMILES: CC(C)C(=O)O[C@H]1[C@H](C)OC(=O)[C@@H](NC(=O)c2nnccc2O)COC(=O)[C@@H]1Cc1ccccc1
SELFIES: [C][C][Branch1][C][C][C][=Branch1][C][=O][O][C@H1][C@H1][Branch1][C][C][O][C][=Branch1][C][=O][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][C][=N][N][=C][C][=C][Ring1][=Branch1][O][C][O][C][=Branch1][C][=O][C@@H1][Ring2][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C24H27N3O8/c1-13(2)22(30)35-20-14(3)34-24(32)17(26-21(29)19-18(28)9-10-25-27-19)12-33-23(31)16(20)11-15-7-5-4-6-8-15/h4-10,13-14,16-17,20H,11-12H2,1-3H3,(H,25,28)(H,26,29)/t14-,16+,17-,20-/m0/s1
SMILES: CC1(C)CC(NC(=O)c2nccnc2O)CC(C)(C)C1
SELFIES: [C][C][Branch1][C][C][C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=N][C][=C][N][=C][Ring1][=Branch1][O][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][Ring1]
InChI: InChI=1S/C15H23N3O2/c1-14(2)7-10(8-15(3,4)9-14)18-13(20)11-12(19)17-6-5-16-11/h5-6,10H,7-9H2,1-4H3,(H,17,19)(H,18,20)
SMILES: CC(C)C(=O)O[C@H]1[C@H](C)OC(=O)[C@@H](NC(=O)c2nccnc2O)COC(=O)[C@@H]1Cc1ccccc1
SELFIES: [C][C][Branch1][C][C][C][=Branch1][C][=O][O][C@H1][C@H1][Branch1][C][C][O][C][=Branch1][C][=O][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][C][=N][C][=C][N][=C][Ring1][=Branch1][O][C][O][C][=Branch1][C][=O][C@@H1][Ring2][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C24H27N3O8/c1-13(2)22(30)35-19-14(3)34-24(32)17(27-21(29)18-20(28)26-10-9-25-18)12-33-23(31)16(19)11-15-7-5-4-6-8-15/h4-10,13-14,16-17,19H,11-12H2,1-3H3,(H,26,28)(H,27,29)/t14-,16+,17-,19-/m0/s1
SMILES: O=C(Nc1ccc(Oc2cccc(C(F)(F)F)c2)cc1)c1nccnc1O
SELFIES: [O][=C][Branch2][Ring1][S][N][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][Ring1][P][C][=N][C][=C][N][=C][Ring1][=Branch1][O]
InChI: InChI=1S/C18H12F3N3O3/c19-18(20,21)11-2-1-3-14(10-11)27-13-6-4-12(5-7-13)24-17(26)15-16(25)23-9-8-22-15/h1-10H,(H,23,25)(H,24,26)
SMILES: Cc1cc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c(O)nc1C
SELFIES: [C][C][=C][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][=C][Branch1][C][O][N][=C][Ring2][Ring2][Ring1][C]
InChI: InChI=1S/C27H32N2O8/c1-14(2)25(32)37-22-17(5)36-27(34)21(29-24(31)20-11-15(3)16(4)28-23(20)30)13-35-26(33)19(22)12-18-9-7-6-8-10-18/h6-11,14,17,19,21-22H,12-13H2,1-5H3,(H,28,30)(H,29,31)/t17-,19+,21-,22-/m0/s1
SMILES: COc1nc(O)c(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)nc1Cl
SELFIES: [C][O][C][=N][C][Branch1][C][O][=C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][N][=C][Ring2][Ring2][Ring1][Cl]
InChI: InChI=1S/C25H28ClN3O9/c1-12(2)23(32)38-18-13(3)37-25(34)16(11-36-24(33)15(18)10-14-8-6-5-7-9-14)27-20(30)17-21(31)29-22(35-4)19(26)28-17/h5-9,12-13,15-16,18H,10-11H2,1-4H3,(H,27,30)(H,29,31)/t13-,15+,16-,18-/m0/s1
SMILES: CC(C)C(=O)O[C@H]1[C@H](C)OC(=O)[C@@H](NC(=O)c2nc(Cl)c(Cl)nc2O)COC(=O)[C@@H]1Cc1ccccc1
SELFIES: [C][C][Branch1][C][C][C][=Branch1][C][=O][O][C@H1][C@H1][Branch1][C][C][O][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=N][C][Branch1][C][Cl][=C][Branch1][C][Cl][N][=C][Ring1][Branch2][O][C][O][C][=Branch1][C][=O][C@@H1][Ring2][Ring1][Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C24H25Cl2N3O8/c1-11(2)22(32)37-17-12(3)36-24(34)15(27-20(30)16-21(31)29-19(26)18(25)28-16)10-35-23(33)14(17)9-13-7-5-4-6-8-13/h4-8,11-12,14-15,17H,9-10H2,1-3H3,(H,27,30)(H,29,31)/t12-,14+,15-,17-/m0/s1
SMILES: CC1(C)CC(NC(=O)c2cncnc2O)CC(C)(C)C1
SELFIES: [C][C][Branch1][C][C][C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][N][=C][N][=C][Ring1][=Branch1][O][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][Ring1]
InChI: InChI=1S/C15H23N3O2/c1-14(2)5-10(6-15(3,4)8-14)18-13(20)11-7-16-9-17-12(11)19/h7,9-10H,5-6,8H2,1-4H3,(H,18,20)(H,16,17,19)
SMILES: CC(C)C(=O)O[C@H]1[C@H](C)OC(=O)[C@@H](NC(=O)c2cncnc2O)COC(=O)[C@@H]1Cc1ccccc1
SELFIES: [C][C][Branch1][C][C][C][=Branch1][C][=O][O][C@H1][C@H1][Branch1][C][C][O][C][=Branch1][C][=O][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][C][=C][N][=C][N][=C][Ring1][=Branch1][O][C][O][C][=Branch1][C][=O][C@@H1][Ring2][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C24H27N3O8/c1-13(2)22(30)35-19-14(3)34-24(32)18(27-21(29)17-10-25-12-26-20(17)28)11-33-23(31)16(19)9-15-7-5-4-6-8-15/h4-8,10,12-14,16,18-19H,9,11H2,1-3H3,(H,27,29)(H,25,26,28)/t14-,16+,18-,19-/m0/s1
SMILES: Cc1ncc(C(=O)NC2CC(C)(C)CC(C)(C)C2)c(O)n1
SELFIES: [C][C][=N][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2][C][Branch1][C][O][=N][Ring2][Ring1][Ring2]
InChI: InChI=1S/C16H25N3O2/c1-10-17-8-12(13(20)18-10)14(21)19-11-6-15(2,3)9-16(4,5)7-11/h8,11H,6-7,9H2,1-5H3,(H,19,21)(H,17,18,20)
SMILES: Cc1ncc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c(O)n1
SELFIES: [C][C][=N][C][=C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][C][Branch1][C][O][=N][Ring2][Ring2][Ring1]
InChI: InChI=1S/C25H29N3O8/c1-13(2)23(31)36-20-14(3)35-25(33)19(28-22(30)18-11-26-15(4)27-21(18)29)12-34-24(32)17(20)10-16-8-6-5-7-9-16/h5-9,11,13-14,17,19-20H,10,12H2,1-4H3,(H,28,30)(H,26,27,29)/t14-,17+,19-,20-/m0/s1
SMILES: CC1(C)CC(NC(=O)c2nnc(O)nc2O)CC(C)(C)C1
SELFIES: [C][C][Branch1][C][C][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=N][N][=C][Branch1][C][O][N][=C][Ring1][#Branch1][O][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][Ring2]
InChI: InChI=1S/C14H22N4O3/c1-13(2)5-8(6-14(3,4)7-13)15-10(19)9-11(20)16-12(21)18-17-9/h8H,5-7H2,1-4H3,(H,15,19)(H2,16,18,20,21)
SMILES: CC(C)C(=O)O[C@H]1[C@H](C)OC(=O)[C@@H](NC(=O)c2nnc(O)nc2O)COC(=O)[C@@H]1Cc1ccccc1
SELFIES: [C][C][Branch1][C][C][C][=Branch1][C][=O][O][C@H1][C@H1][Branch1][C][C][O][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=N][N][=C][Branch1][C][O][N][=C][Ring1][#Branch1][O][C][O][C][=Branch1][C][=O][C@@H1][Ring2][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C23H26N4O9/c1-11(2)20(30)36-17-12(3)35-22(32)15(24-18(28)16-19(29)25-23(33)27-26-16)10-34-21(31)14(17)9-13-7-5-4-6-8-13/h4-8,11-12,14-15,17H,9-10H2,1-3H3,(H,24,28)(H2,25,27,29,33)/t12-,14+,15-,17-/m0/s1
SMILES: CSc1nnc(C(=O)NC2CC(C)(C)CC(C)(C)C2)c(O)n1
SELFIES: [C][S][C][=N][N][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2][C][Branch1][C][O][=N][Ring2][Ring1][Ring2]
InChI: InChI=1S/C15H24N4O2S/c1-14(2)6-9(7-15(3,4)8-14)16-11(20)10-12(21)17-13(22-5)19-18-10/h9H,6-8H2,1-5H3,(H,16,20)(H,17,19,21)
SMILES: CSc1nnc(C(=O)NC2CCCCCCC2)c(O)n1
SELFIES: [C][S][C][=N][N][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][Ring1][Branch2][C][Branch1][C][O][=N][Ring2][Ring1][C]
InChI: InChI=1S/C13H20N4O2S/c1-20-13-15-12(19)10(16-17-13)11(18)14-9-7-5-3-2-4-6-8-9/h9H,2-8H2,1H3,(H,14,18)(H,15,17,19)
SMILES: CSc1nnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c(O)n1
SELFIES: [C][S][C][=N][N][=C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][C][Branch1][C][O][=N][Ring2][Ring2][Ring1]
InChI: InChI=1S/C24H28N4O8S/c1-12(2)21(31)36-18-13(3)35-23(33)16(25-19(29)17-20(30)26-24(37-4)28-27-17)11-34-22(32)15(18)10-14-8-6-5-7-9-14/h5-9,12-13,15-16,18H,10-11H2,1-4H3,(H,25,29)(H,26,28,30)/t13-,15+,16-,18-/m0/s1
SMILES: CSc1nnc(C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)c3)cc2)c(O)n1
SELFIES: [C][S][C][=N][N][=C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][Ring1][P][C][Branch1][C][O][=N][Ring2][Ring1][O]
InChI: InChI=1S/C18H13F3N4O3S/c1-29-17-23-16(27)14(24-25-17)15(26)22-11-5-7-12(8-6-11)28-13-4-2-3-10(9-13)18(19,20)21/h2-9H,1H3,(H,22,26)(H,23,25,27)
SMILES: CC1(C)CC(NC(=O)c2nscc2O)CC(C)(C)C1
SELFIES: [C][C][Branch1][C][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=N][S][C][=C][Ring1][Branch1][O][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][C]
InChI: InChI=1S/C14H22N2O2S/c1-13(2)5-9(6-14(3,4)8-13)15-12(18)11-10(17)7-19-16-11/h7,9,17H,5-6,8H2,1-4H3,(H,15,18)
SMILES: CC(C)C(=O)O[C@H]1[C@H](C)OC(=O)[C@@H](NC(=O)c2nscc2O)COC(=O)[C@@H]1Cc1ccccc1
SELFIES: [C][C][Branch1][C][C][C][=Branch1][C][=O][O][C@H1][C@H1][Branch1][C][C][O][C][=Branch1][C][=O][C@@H1][Branch1][=C][N][C][=Branch1][C][=O][C][=N][S][C][=C][Ring1][Branch1][O][C][O][C][=Branch1][C][=O][C@@H1][Ring2][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C23H26N2O8S/c1-12(2)21(28)33-19-13(3)32-23(30)16(24-20(27)18-17(26)11-34-25-18)10-31-22(29)15(19)9-14-7-5-4-6-8-14/h4-8,11-13,15-16,19,26H,9-10H2,1-3H3,(H,24,27)/t13-,15+,16-,19-/m0/s1
SMILES: O=C(Nc1ccc(Oc2cccc(C(F)(F)F)c2)cc1)c1nscc1O
SELFIES: [O][=C][Branch2][Ring1][S][N][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][Ring1][P][C][=N][S][C][=C][Ring1][Branch1][O]
InChI: InChI=1S/C17H11F3N2O3S/c18-17(19,20)10-2-1-3-13(8-10)25-12-6-4-11(5-7-12)21-16(24)15-14(23)9-26-22-15/h1-9,23H,(H,21,24)
SMILES: CC1(C)CC(NC(=O)c2nsnc2O)CC(C)(C)C1
SELFIES: [C][C][Branch1][C][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=N][S][N][=C][Ring1][Branch1][O][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][C]
InChI: InChI=1S/C13H21N3O2S/c1-12(2)5-8(6-13(3,4)7-12)14-10(17)9-11(18)16-19-15-9/h8H,5-7H2,1-4H3,(H,14,17)(H,16,18)
SMILES: CC(C)C(=O)O[C@H]1[C@H](C)OC(=O)[C@@H](NC(=O)c2nsnc2O)COC(=O)[C@@H]1Cc1ccccc1
SELFIES: [C][C][Branch1][C][C][C][=Branch1][C][=O][O][C@H1][C@H1][Branch1][C][C][O][C][=Branch1][C][=O][C@@H1][Branch1][=C][N][C][=Branch1][C][=O][C][=N][S][N][=C][Ring1][Branch1][O][C][O][C][=Branch1][C][=O][C@@H1][Ring2][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C22H25N3O8S/c1-11(2)20(28)33-17-12(3)32-22(30)15(23-18(26)16-19(27)25-34-24-16)10-31-21(29)14(17)9-13-7-5-4-6-8-13/h4-8,11-12,14-15,17H,9-10H2,1-3H3,(H,23,26)(H,25,27)/t12-,14+,15-,17-/m0/s1
SMILES: O=C(Nc1ccc(Oc2cccc(C(F)(F)F)c2)cc1)c1cscc1O
SELFIES: [O][=C][Branch2][Ring1][S][N][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][Ring1][P][C][=C][S][C][=C][Ring1][Branch1][O]
InChI: InChI=1S/C18H12F3NO3S/c19-18(20,21)11-2-1-3-14(8-11)25-13-6-4-12(5-7-13)22-17(24)15-9-26-10-16(15)23/h1-10,23H,(H,22,24)