EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCCC(C)(C)C(NC(=O)C(Cc1ccccc1)CN(O)C=O)C(=O)NC(C)(C)CC(C)(C)C
SELFIES: [C][C][C][C][Branch1][C][C][Branch1][C][C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][C][O][C][=O][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C]
InChI: InChI=1S/C27H45N3O4/c1-9-15-26(5,6)22(24(33)29-27(7,8)18-25(2,3)4)28-23(32)21(17-30(34)19-31)16-20-13-11-10-12-14-20/h10-14,19,21-22,34H,9,15-18H2,1-8H3,(H,28,32)(H,29,33)
SMILES: O=CN(O)CC(Cc1ccccc1)C(=O)NC(C(=O)NC1CCCCC1)C1CCCCC1
SELFIES: [O][=C][N][Branch1][C][O][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1]
InChI: InChI=1S/C25H37N3O4/c29-18-28(32)17-21(16-19-10-4-1-5-11-19)24(30)27-23(20-12-6-2-7-13-20)25(31)26-22-14-8-3-9-15-22/h1,4-5,10-11,18,20-23,32H,2-3,6-9,12-17H2,(H,26,31)(H,27,30)
SMILES: O=CN(O)CC(Cc1ccccc1)C(=O)NC(C(=O)NCc1ccccc1)C1CCCCC1
SELFIES: [O][=C][N][Branch1][C][O][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1]
InChI: InChI=1S/C26H33N3O4/c30-19-29(33)18-23(16-20-10-4-1-5-11-20)25(31)28-24(22-14-8-3-9-15-22)26(32)27-17-21-12-6-2-7-13-21/h1-2,4-7,10-13,19,22-24,33H,3,8-9,14-18H2,(H,27,32)(H,28,31)
SMILES: CC(C)(C)CC(C)(C)NC(=O)C(NC(=O)C(Cc1ccccc1)CN(O)C=O)C1CCCCC1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][C][O][C][=O][C][C][C][C][C][C][Ring1][=Branch1]
InChI: InChI=1S/C27H43N3O4/c1-26(2,3)18-27(4,5)29-25(33)23(21-14-10-7-11-15-21)28-24(32)22(17-30(34)19-31)16-20-12-8-6-9-13-20/h6,8-9,12-13,19,21-23,34H,7,10-11,14-18H2,1-5H3,(H,28,32)(H,29,33)
SMILES: COc1ccc(C2c3ccccc3OC2CO)cc1
SELFIES: [C][O][C][=C][C][=C][Branch1][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=Branch2][C][O][C][=C][Ring1][P]
InChI: InChI=1S/C16H16O3/c1-18-12-8-6-11(7-9-12)16-13-4-2-3-5-14(13)19-15(16)10-17/h2-9,15-17H,10H2,1H3
SMILES: CCCON1C(C)(C)CC(C)CC1(C)C
SELFIES: [C][C][C][O][N][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][C][C][Ring1][=Branch2][Branch1][C][C][C]
InChI: InChI=1S/C13H27NO/c1-7-8-15-14-12(3,4)9-11(2)10-13(14,5)6/h11H,7-10H2,1-6H3
SMILES: CCC1CC(CC)C(COCC(CC)OC)C1
SELFIES: [C][C][C][C][C][Branch1][Ring1][C][C][C][Branch1][O][C][O][C][C][Branch1][Ring1][C][C][O][C][C][Ring1][#C]
InChI: InChI=1S/C15H30O2/c1-5-12-8-13(6-2)14(9-12)10-17-11-15(7-3)16-4/h12-15H,5-11H2,1-4H3
SMILES: CC1=C/C(=N/c2ccc(Nc3ccccc3)cc2)CC(C)(C)C1
SELFIES: [C][C][=C][/C][=Branch2][Ring1][Branch1][=N][/C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][=Branch1]
InChI: InChI=1S/C21H24N2/c1-16-13-20(15-21(2,3)14-16)23-19-11-9-18(10-12-19)22-17-7-5-4-6-8-17/h4-13,22H,14-15H2,1-3H3/b23-20-
SMILES: CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2Br)cc1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][Br][C][=C][Ring1][P]
InChI: InChI=1S/C20H25Br/c1-19(2,3)15-9-7-14(8-10-15)17-12-11-16(13-18(17)21)20(4,5)6/h7-13H,1-6H3
SMILES: FC(F)(F)c1cccc(Br)c1
SELFIES: [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1]
InChI: InChI=1S/C7H4BrF3/c8-6-3-1-2-5(4-6)7(9,10)11/h1-4H
SMILES: FC(F)(F)c1cc(Br)cc(C(F)(F)F)c1
SELFIES: [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][Branch1][C][Br][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O]
InChI: InChI=1S/C8H3BrF6/c9-6-2-4(7(10,11)12)1-5(3-6)8(13,14)15/h1-3H
SMILES: C=C1c2cc(CCCCC)ccc2-c2ccc(CCCCC)cc21
SELFIES: [C][=C][C][=C][C][Branch1][=Branch1][C][C][C][C][C][=C][C][=C][Ring1][O][C][=C][C][=C][Branch1][=Branch1][C][C][C][C][C][C][=C][Ring1][O][Ring2][Ring1][#Branch1]
InChI: InChI=1S/C24H30/c1-4-6-8-10-19-12-14-21-22-15-13-20(11-9-7-5-2)17-24(22)18(3)23(21)16-19/h12-17H,3-11H2,1-2H3
SMILES: C=C1c2ccccc2-c2ccccc21
SELFIES: [C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N]
InChI: InChI=1S/C14H10/c1-10-11-6-2-4-8-13(11)14-9-5-3-7-12(10)14/h2-9H,1H2
SMILES: C[C@]12CCC3c4ccc(O)cc4C[C@@H](CCCCCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)C3C1CC[C@@H]2O
SELFIES: [C][C@][C][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C@@H1][Branch2][Ring1][S][C][C][C][C][C][C][C][C][C][S+1][Branch1][C][O-1][C][C][C][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][F][C][Ring2][Ring1][S][C][Ring2][Ring2][Ring2][C][C][C@@H1][Ring2][Ring2][#Branch1][O]
InChI: InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26?,27?,28+,29?,30+,41?/m1/s1
SMILES: O=Cc1ccc2ccccc2c1
SELFIES: [O][=C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]
InChI: InChI=1S/C11H8O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-8H
SMILES: O=Cc1cccc2ccccc12
SELFIES: [O][=C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]
InChI: InChI=1S/C11H8O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H
SMILES: CC(CC=O)c1ccccc1
SELFIES: [C][C][Branch1][Ring2][C][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C10H12O/c1-9(7-8-11)10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3
SMILES: C[C@@H](CC=O)c1ccc(Cl)c(Cl)c1
SELFIES: [C][C@@H1][Branch1][Ring2][C][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2]
InChI: InChI=1S/C10H10Cl2O/c1-7(4-5-13)8-2-3-9(11)10(12)6-8/h2-3,5-7H,4H2,1H3/t7-/m0/s1
SMILES: CN1C(=O)[C@H](Cc2c[nH]c3ccccc23)N[C@@H]1C(C)(C)C
SELFIES: [C][N][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C@@H1][Ring1][S][C][Branch1][C][C][Branch1][C][C][C]
InChI: InChI=1S/C17H23N3O/c1-17(2,3)16-19-14(15(21)20(16)4)9-11-10-18-13-8-6-5-7-12(11)13/h5-8,10,14,16,18-19H,9H2,1-4H3/t14-,16-/m0/s1
SMILES: CCCCN1C(=O)[C@H](Cc2cn(Cc3ccccc3)c3ccccc23)N[C@@H]1C(C)(C)C
SELFIES: [C][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][#Branch2][C][C][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1][N][C@@H1][Ring2][Ring1][#Branch1][C][Branch1][C][C][Branch1][C][C][C]
InChI: InChI=1S/C27H35N3O/c1-5-6-16-30-25(31)23(28-26(30)27(2,3)4)17-21-19-29(18-20-12-8-7-9-13-20)24-15-11-10-14-22(21)24/h7-15,19,23,26,28H,5-6,16-18H2,1-4H3/t23-,26-/m0/s1
SMILES: CN1C(=O)[C@H](Cc2ccccc2)N[C@@H]1C12CC3CC(CC(C3)C1)C2
SELFIES: [C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C@@H1][Ring1][=N][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2]
InChI: InChI=1S/C21H28N2O/c1-23-19(24)18(10-14-5-3-2-4-6-14)22-20(23)21-11-15-7-16(12-21)9-17(8-15)13-21/h2-6,15-18,20,22H,7-13H2,1H3/t15?,16?,17?,18-,20-,21?/m0/s1
SMILES: CN1C(=O)CN[C@@H]1C(C)(C)C
SELFIES: [C][N][C][=Branch1][C][=O][C][N][C@@H1][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C]
InChI: InChI=1S/C8H16N2O/c1-8(2,3)7-9-5-6(11)10(7)4/h7,9H,5H2,1-4H3/t7-/m0/s1
SMILES: C[C@H](CC=O)C(=O)OCc1ccccc1
SELFIES: [C][C@H1][Branch1][Ring2][C][C][=O][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C12H14O3/c1-10(7-8-13)12(14)15-9-11-5-3-2-4-6-11/h2-6,8,10H,7,9H2,1H3/t10-/m1/s1
SMILES: CC[C@H](CC=O)CC(C)C
SELFIES: [C][C][C@H1][Branch1][Ring2][C][C][=O][C][C][Branch1][C][C][C]
InChI: InChI=1S/C9H18O/c1-4-9(5-6-10)7-8(2)3/h6,8-9H,4-5,7H2,1-3H3/t9-/m1/s1
SMILES: CC(C)C(CC=O)c1ccccc1
SELFIES: [C][C][Branch1][C][C][C][Branch1][Ring2][C][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C12H16O/c1-10(2)12(8-9-13)11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3
SMILES: CC(C)=CCC[C@@H](C)CC=O
SELFIES: [C][C][Branch1][C][C][=C][C][C][C@@H1][Branch1][C][C][C][C][=O]
InChI: InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3/t10-/m1/s1
SMILES: CC(C)[C@@H](CC=O)c1ccccc1
SELFIES: [C][C][Branch1][C][C][C@@H1][Branch1][Ring2][C][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C12H16O/c1-10(2)12(8-9-13)11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3/t12-/m1/s1
SMILES: C[C@H](CC=O)c1ccsc1
SELFIES: [C][C@H1][Branch1][Ring2][C][C][=O][C][C][=C][S][C][=Ring1][Branch1]
InChI: InChI=1S/C8H10OS/c1-7(2-4-9)8-3-5-10-6-8/h3-7H,2H2,1H3/t7-/m1/s1
SMILES: CC[C@@H](CC=O)CC(C)C
SELFIES: [C][C][C@@H1][Branch1][Ring2][C][C][=O][C][C][Branch1][C][C][C]
InChI: InChI=1S/C9H18O/c1-4-9(5-6-10)7-8(2)3/h6,8-9H,4-5,7H2,1-3H3/t9-/m0/s1
SMILES: CC[C@H](CC=O)C1CCCCC1
SELFIES: [C][C][C@H1][Branch1][Ring2][C][C][=O][C][C][C][C][C][C][Ring1][=Branch1]
InChI: InChI=1S/C11H20O/c1-2-10(8-9-12)11-6-4-3-5-7-11/h9-11H,2-8H2,1H3/t10-/m1/s1
SMILES: [2H][C@H](CC=O)c1ccccc1
SELFIES: [2H][C@H1][Branch1][Ring2][C][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H,4,7H2/i7D/t7-/m1/s1
SMILES: O=C1C=C(c2ccccc2)CC1
SELFIES: [O][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][O]
InChI: InChI=1S/C11H10O/c12-11-7-6-10(8-11)9-4-2-1-3-5-9/h1-5,8H,6-7H2
SMILES: O=C1CCC(c2ccccc2)C1
SELFIES: [O][=C][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O]
InChI: InChI=1S/C11H12O/c12-11-7-6-10(8-11)9-4-2-1-3-5-9/h1-5,10H,6-8H2
SMILES: CC1=CC(=O)CC(C)(C)C1
SELFIES: [C][C][=C][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch2]
InChI: InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3
SMILES: CC1CC(=O)CC(C)(C)C1
SELFIES: [C][C][C][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch2]
InChI: InChI=1S/C9H16O/c1-7-4-8(10)6-9(2,3)5-7/h7H,4-6H2,1-3H3
SMILES: Cc1ccc(C2=CC(=O)CC2)o1
SELFIES: [C][C][=C][C][=C][Branch1][O][C][=C][C][=Branch1][C][=O][C][C][Ring1][=Branch1][O][Ring1][O]
InChI: InChI=1S/C10H10O2/c1-7-2-5-10(12-7)8-3-4-9(11)6-8/h2,5-6H,3-4H2,1H3
SMILES: Cc1ccc(C2CCC(=O)C2)o1
SELFIES: [C][C][=C][C][=C][Branch1][O][C][C][C][C][=Branch1][C][=O][C][Ring1][=Branch1][O][Ring1][O]
InChI: InChI=1S/C10H12O2/c1-7-2-5-10(12-7)8-3-4-9(11)6-8/h2,5,8H,3-4,6H2,1H3
SMILES: O=C1C=C(C2SCCCS2)CC1
SELFIES: [O][=C][C][=C][Branch1][=Branch2][C][S][C][C][C][S][Ring1][=Branch1][C][C][Ring1][O]
InChI: InChI=1S/C9H12OS2/c10-8-3-2-7(6-8)9-11-4-1-5-12-9/h6,9H,1-5H2
SMILES: O=C1CCC(C2SCCCS2)C1
SELFIES: [O][=C][C][C][C][Branch1][=Branch2][C][S][C][C][C][S][Ring1][=Branch1][C][Ring1][O]
InChI: InChI=1S/C9H14OS2/c10-8-3-2-7(6-8)9-11-4-1-5-12-9/h7,9H,1-6H2
SMILES: CC(C)(C)C1=CC(=O)CCC1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=Branch1][C][=O][C][C][C][Ring1][#Branch1]
InChI: InChI=1S/C10H16O/c1-10(2,3)8-5-4-6-9(11)7-8/h7H,4-6H2,1-3H3
SMILES: CC(C)(C)C1CCCC(=O)C1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][C][=Branch1][C][=O][C][Ring1][#Branch1]
InChI: InChI=1S/C10H18O/c1-10(2,3)8-5-4-6-9(11)7-8/h8H,4-7H2,1-3H3
SMILES: O=C1C=C(c2ccccc2)CCC1
SELFIES: [O][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][N]
InChI: InChI=1S/C12H12O/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2
SMILES: O=C1CCCC(c2ccccc2)C1
SELFIES: [O][=C][C][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N]
InChI: InChI=1S/C12H14O/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2
SMILES: O=C1CC[C@H](Cc2ccccc2)C1
SELFIES: [O][=C][C][C][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N]
InChI: InChI=1S/C12H14O/c13-12-7-6-11(9-12)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2/t11-/m1/s1
SMILES: O=C(O)c1cccc(I)c1
SELFIES: [O][=C][Branch1][C][O][C][=C][C][=C][C][Branch1][C][I][=C][Ring1][#Branch1]
InChI: InChI=1S/C7H5IO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
SMILES: N#Cc1ccccc1-c1ccccc1
SELFIES: [N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C13H9N/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-9H
SMILES: Cc1ccc(C)c(C#N)c1
SELFIES: [C][C][=C][C][=C][Branch1][C][C][C][Branch1][Ring1][C][#N][=C][Ring1][=Branch2]
InChI: InChI=1S/C9H9N/c1-7-3-4-8(2)9(5-7)6-10/h3-5H,1-2H3
SMILES: N#Cc1cccc(C(F)(F)F)c1
SELFIES: [N][#C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2]
InChI: InChI=1S/C8H4F3N/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-4H
SMILES: N#Cc1ccc(C(=O)c2ccccc2)cc1
SELFIES: [N][#C][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C]
InChI: InChI=1S/C14H9NO/c15-10-11-6-8-13(9-7-11)14(16)12-4-2-1-3-5-12/h1-9H
SMILES: Cc1cc(C)cc(N2CCCC2=O)c1
SELFIES: [C][C][=C][C][Branch1][C][C][=C][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][=C][Ring1][=N]
InChI: InChI=1S/C12H15NO/c1-9-6-10(2)8-11(7-9)13-5-3-4-12(13)14/h6-8H,3-5H2,1-2H3
SMILES: N#Cc1cccc(Sc2ccccc2)c1
SELFIES: [N][#C][C][=C][C][=C][C][Branch1][#Branch2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N]
InChI: InChI=1S/C13H9NS/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-9H
SMILES: Brc1cccc(Sc2ccccc2)c1
SELFIES: [Br][C][=C][C][=C][C][Branch1][#Branch2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N]
InChI: InChI=1S/C12H9BrS/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9H
SMILES: Cc1cccc(Sc2cccc([N+](=O)[O-])c2)c1
SELFIES: [C][C][=C][C][=C][C][Branch1][P][S][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][=C][Ring1][S]
InChI: InChI=1S/C13H11NO2S/c1-10-4-2-6-12(8-10)17-13-7-3-5-11(9-13)14(15)16/h2-9H,1H3
SMILES: Cc1cccc(Sc2ccc(N)cc2)c1
SELFIES: [C][C][=C][C][=C][C][Branch1][=N][S][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][=C][Ring1][=C]
InChI: InChI=1S/C13H13NS/c1-10-3-2-4-13(9-10)15-12-7-5-11(14)6-8-12/h2-9H,14H2,1H3
SMILES: COc1cccc(Sc2ccc(Cl)cc2)c1
SELFIES: [C][O][C][=C][C][=C][C][Branch1][=N][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring1][=C]
InChI: InChI=1S/C13H11ClOS/c1-15-11-3-2-4-13(9-11)16-12-7-5-10(14)6-8-12/h2-9H,1H3
SMILES: COc1cccc(Sc2ccc(C(C)=O)cc2)c1
SELFIES: [C][O][C][=C][C][=C][C][Branch1][P][S][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][=C][Ring1][S]
InChI: InChI=1S/C15H14O2S/c1-11(16)12-6-8-14(9-7-12)18-15-5-3-4-13(10-15)17-2/h3-10H,1-2H3
SMILES: Cc1cc(C)cc(Sc2ccc(O)cc2)c1
SELFIES: [C][C][=C][C][Branch1][C][C][=C][C][Branch1][=N][S][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][Ring1][#C]
InChI: InChI=1S/C14H14OS/c1-10-7-11(2)9-14(8-10)16-13-5-3-12(15)4-6-13/h3-9,15H,1-2H3
SMILES: COc1ccc(Sc2cccc(C(=O)O)c2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch1][P][S][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][C][=C][Ring1][S]
InChI: InChI=1S/C14H12O3S/c1-17-11-5-7-12(8-6-11)18-13-4-2-3-10(9-13)14(15)16/h2-9H,1H3,(H,15,16)
SMILES: CCOC(=O)c1cccc(Sc2cccc(OC)c2)c1
SELFIES: [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=C][S][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][=C][Ring1][#C]
InChI: InChI=1S/C16H16O3S/c1-3-19-16(17)12-6-4-8-14(10-12)20-15-9-5-7-13(11-15)18-2/h4-11H,3H2,1-2H3
SMILES: COc1cccc(Sc2cccc(C=O)c2)c1
SELFIES: [C][O][C][=C][C][=C][C][Branch1][=C][S][C][=C][C][=C][C][Branch1][Ring1][C][=O][=C][Ring1][Branch2][=C][Ring1][#C]
InChI: InChI=1S/C14H12O2S/c1-16-12-5-3-7-14(9-12)17-13-6-2-4-11(8-13)10-15/h2-10H,1H3
SMILES: COc1ccc(Sc2cccc(CN)c2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch1][=C][S][C][=C][C][=C][C][Branch1][Ring1][C][N][=C][Ring1][Branch2][C][=C][Ring1][#C]
InChI: InChI=1S/C14H15NOS/c1-16-12-5-7-13(8-6-12)17-14-4-2-3-11(9-14)10-15/h2-9H,10,15H2,1H3
SMILES: COc1ccc(Sc2ccccc2CO)cc1
SELFIES: [C][O][C][=C][C][=C][Branch1][N][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=C][Ring1][#C]
InChI: InChI=1S/C14H14O2S/c1-16-12-6-8-13(9-7-12)17-14-5-3-2-4-11(14)10-15/h2-9,15H,10H2,1H3
SMILES: Cc1cc(C)cc(Sc2ccccc2Cl)c1
SELFIES: [C][C][=C][C][Branch1][C][C][=C][C][Branch1][O][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][Ring1][#C]
InChI: InChI=1S/C14H13ClS/c1-10-7-11(2)9-12(8-10)16-14-6-4-3-5-13(14)15/h3-9H,1-2H3
SMILES: COC(=O)c1ccccc1Sc1cc(C)cc(C)c1
SELFIES: [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2]
InChI: InChI=1S/C16H16O2S/c1-11-8-12(2)10-13(9-11)19-15-7-5-4-6-14(15)16(17)18-3/h4-10H,1-3H3
SMILES: COc1cccc(Sc2ccccc2C(C)C)c1
SELFIES: [C][O][C][=C][C][=C][C][Branch1][#C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][=C][Ring1][S]
InChI: InChI=1S/C16H18OS/c1-12(2)15-9-4-5-10-16(15)18-14-8-6-7-13(11-14)17-3/h4-12H,1-3H3
SMILES: Cc1ccccc1Sc1ccccc1C(C)C
SELFIES: [C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C]
InChI: InChI=1S/C16H18S/c1-12(2)14-9-5-7-11-16(14)17-15-10-6-4-8-13(15)3/h4-12H,1-3H3
SMILES: COc1ccc(Sc2ccccc2C(C)C)cc1
SELFIES: [C][O][C][=C][C][=C][Branch1][#C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][S]
InChI: InChI=1S/C16H18OS/c1-12(2)15-6-4-5-7-16(15)18-14-10-8-13(17-3)9-11-14/h4-12H,1-3H3
SMILES: CC(C)c1ccccc1Sc1ccccc1C(C)C
SELFIES: [C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C]
InChI: InChI=1S/C18H22S/c1-13(2)15-9-5-7-11-17(15)19-18-12-8-6-10-16(18)14(3)4/h5-14H,1-4H3
SMILES: CC(=O)Nc1ccc(Sc2cccnc2)cc1
SELFIES: [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][S][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][=N]
InChI: InChI=1S/C13H12N2OS/c1-10(16)15-11-4-6-12(7-5-11)17-13-3-2-8-14-9-13/h2-9H,1H3,(H,15,16)
SMILES: COc1ccc(Sc2ccc3[nH]ccc3c2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch1][#C][S][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=C][Ring1][S]
InChI: InChI=1S/C15H13NOS/c1-17-12-2-4-13(5-3-12)18-14-6-7-15-11(10-14)8-9-16-15/h2-10,16H,1H3
SMILES: CCCCSc1cc(C)cc(C)c1
SELFIES: [C][C][C][C][S][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2]
InChI: InChI=1S/C12H18S/c1-4-5-6-13-12-8-10(2)7-11(3)9-12/h7-9H,4-6H2,1-3H3
SMILES: COc1ccc(SCc2ccccc2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch1][O][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C]
InChI: InChI=1S/C14H14OS/c1-15-13-7-9-14(10-8-13)16-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
SMILES: Cc1cc(C)cc(SCCCCCCO)c1
SELFIES: [C][C][=C][C][Branch1][C][C][=C][C][Branch1][=Branch2][S][C][C][C][C][C][C][O][=C][Ring1][#C]
InChI: InChI=1S/C14H22OS/c1-12-9-13(2)11-14(10-12)16-8-6-4-3-5-7-15/h9-11,15H,3-8H2,1-2H3
SMILES: CN[C@H]1CCCC[C@@H]1NC
SELFIES: [C][N][C@H1][C][C][C][C][C@@H1][Ring1][=Branch1][N][C]
InChI: InChI=1S/C8H18N2/c1-9-7-5-3-4-6-8(7)10-2/h7-10H,3-6H2,1-2H3/t7-,8-/m0/s1
SMILES: CCN[C@H]1CCCC[C@@H]1NCC
SELFIES: [C][C][N][C@H1][C][C][C][C][C@@H1][Ring1][=Branch1][N][C][C]
InChI: InChI=1S/C10H22N2/c1-3-11-9-7-5-6-8-10(9)12-4-2/h9-12H,3-8H2,1-2H3/t9-,10-/m0/s1
SMILES: c1cnc2c(c1)ccc1cccnc12
SELFIES: [C][=C][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][O]
InChI: InChI=1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H
SMILES: Ic1cccc(-c2nnc(-c3ccc4ccccc4c3)o2)c1
SELFIES: [I][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][=N][N][=C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][O][Ring1][#C][=C][Ring2][Ring1][Branch1]
InChI: InChI=1S/C18H11IN2O/c19-16-7-3-6-14(11-16)17-20-21-18(22-17)15-9-8-12-4-1-2-5-13(12)10-15/h1-11H
SMILES: Cc1ccc(I)cc1[N+](=O)[O-]
SELFIES: [C][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1]
InChI: InChI=1S/C7H6INO2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,1H3
SMILES: CCC(=O)c1cccc(I)c1
SELFIES: [C][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][I][=C][Ring1][#Branch1]
InChI: InChI=1S/C9H9IO/c1-2-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3
SMILES: N#CCc1ccc(I)cc1
SELFIES: [N][#C][C][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C8H6IN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5H2
SMILES: CCOC(=O)Cc1ccc(I)cc1
SELFIES: [C][C][O][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C10H11IO2/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3
SMILES: O=C(O)/C=C/c1cccc(I)c1
SELFIES: [O][=C][Branch1][C][O][/C][=C][/C][=C][C][=C][C][Branch1][C][I][=C][Ring1][#Branch1]
InChI: InChI=1S/C9H7IO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6H,(H,11,12)/b5-4+
SMILES: C=CCNS(=O)(=O)c1ccc(Br)cc1
SELFIES: [C][=C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C9H10BrNO2S/c1-2-7-11-14(12,13)9-5-3-8(10)4-6-9/h2-6,11H,1,7H2
SMILES: C=CCNS(=O)(=O)c1ccc(I)cc1
SELFIES: [C][=C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C9H10INO2S/c1-2-7-11-14(12,13)9-5-3-8(10)4-6-9/h2-6,11H,1,7H2
SMILES: CC(=O)Nc1ccc(I)cc1F
SELFIES: [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][F]
InChI: InChI=1S/C8H7FINO/c1-5(12)11-8-3-2-6(10)4-7(8)9/h2-4H,1H3,(H,11,12)
SMILES: Ic1ccc2[nH]ccc2c1
SELFIES: [I][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2]
InChI: InChI=1S/C8H6IN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H
SMILES: Ic1cnc2ccccc2c1
SELFIES: [I][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]
InChI: InChI=1S/C9H6IN/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-6H
SMILES: CN(C)CCC(c1ccc(I)cc1)c1ccccn1
SELFIES: [C][N][Branch1][C][C][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1]
InChI: InChI=1S/C16H19IN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3
SMILES: Ic1ccccc1C1CCCCC1
SELFIES: [I][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1]
InChI: InChI=1S/C12H15I/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2
SMILES: N#Cc1ccc(CO)cc1
SELFIES: [N][#C][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2]
InChI: InChI=1S/C8H7NO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,10H,6H2
SMILES: CCOC(=O)Cc1ccc(C#N)cc1
SELFIES: [C][C][O][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2]
InChI: InChI=1S/C11H11NO2/c1-2-14-11(13)7-9-3-5-10(8-12)6-4-9/h3-6H,2,7H2,1H3
SMILES: CN(C)c1ccccc1C#N
SELFIES: [C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N]
InChI: InChI=1S/C9H10N2/c1-11(2)9-6-4-3-5-8(9)7-10/h3-6H,1-2H3
SMILES: CC(=O)Nc1ccc(C)cc1C#N
SELFIES: [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][#N]
InChI: InChI=1S/C10H10N2O/c1-7-3-4-10(12-8(2)13)9(5-7)6-11/h3-5H,1-2H3,(H,12,13)
SMILES: Cc1ccc(S(=O)(=O)n2ccc3cc(Br)ccc32)cc1
SELFIES: [C][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1]
InChI: InChI=1S/C15H12BrNO2S/c1-11-2-5-14(6-3-11)20(18,19)17-9-8-12-10-13(16)4-7-15(12)17/h2-10H,1H3
SMILES: Brc1cnn(Cc2ccccc2)c1
SELFIES: [Br][C][C][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N]
InChI: InChI=1S/C10H9BrN2/c11-10-6-12-13(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7H2
SMILES: N#Cc1cnn(Cc2ccccc2)c1
SELFIES: [N][#C][C][C][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N]
InChI: InChI=1S/C11H9N3/c12-6-11-7-13-14(9-11)8-10-4-2-1-3-5-10/h1-5,7,9H,8H2
SMILES: O=C(O)c1nc(Br)ccc1O
SELFIES: [O][=C][Branch1][C][O][C][=N][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O]
InChI: InChI=1S/C6H4BrNO3/c7-4-2-1-3(9)5(8-4)6(10)11/h1-2,9H,(H,10,11)
SMILES: COc1ccc(OCc2ccccc2)c(C(=O)O)n1
SELFIES: [C][O][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=N][Ring1][P]
InChI: InChI=1S/C14H13NO4/c1-18-12-8-7-11(13(15-12)14(16)17)19-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,16,17)
SMILES: O=C(O)c1cncnc1O
SELFIES: [O][=C][Branch1][C][O][C][=C][N][=C][N][=C][Ring1][=Branch1][O]
InChI: InChI=1S/C5H4N2O3/c8-4-3(5(9)10)1-6-2-7-4/h1-2H,(H,9,10)(H,6,7,8)
SMILES: Cc1ncc(C(=O)O)c(O)n1
SELFIES: [C][C][=N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][O][=N][Ring1][#Branch2]
InChI: InChI=1S/C6H6N2O3/c1-3-7-2-4(6(10)11)5(9)8-3/h2H,1H3,(H,10,11)(H,7,8,9)