EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCN(CC)CCCOc1ccc(C(C)NCCNC)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][C][O][C][=C][C][=C][Branch1][#Branch2][C][Branch1][C][C][N][C][C][N][C][C][=C][Ring1][=N]
InChI: InChI=1S/C18H33N3O/c1-5-21(6-2)14-7-15-22-18-10-8-17(9-11-18)16(3)20-13-12-19-4/h8-11,16,19-20H,5-7,12-15H2,1-4H3
SMILES: CCN(CC)CCCOc1ccc(C(C)NCCN2CCCCC2)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][C][O][C][=C][C][=C][Branch1][S][C][Branch1][C][C][N][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][P]
InChI: InChI=1S/C22H39N3O/c1-4-24(5-2)17-9-19-26-22-12-10-21(11-13-22)20(3)23-14-18-25-15-7-6-8-16-25/h10-13,20,23H,4-9,14-19H2,1-3H3
SMILES: CCN(CC)CCCOc1ccc(C(C)NC(C)CN(C)C)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][C][O][C][=C][C][=C][Branch1][S][C][Branch1][C][C][N][C][Branch1][C][C][C][N][Branch1][C][C][C][C][=C][Ring1][#C]
InChI: InChI=1S/C20H37N3O/c1-7-23(8-2)14-9-15-24-20-12-10-19(11-13-20)18(4)21-17(3)16-22(5)6/h10-13,17-18,21H,7-9,14-16H2,1-6H3
SMILES: CCN(CC)CCCOc1ccc(C(C)NC2CN(CC)N(CC)C2)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][Branch1][C][C][N][C][C][N][Branch1][Ring1][C][C][N][Branch1][Ring1][C][C][C][Ring1][=Branch2][C][=C][Ring2][Ring1][C]
InChI: InChI=1S/C22H40N4O/c1-6-24(7-2)15-10-16-27-22-13-11-20(12-14-22)19(5)23-21-17-25(8-3)26(9-4)18-21/h11-14,19,21,23H,6-10,15-18H2,1-5H3
SMILES: CCN(CC)CCCOc1ccc(C(C)NCCCN2CCN(C)CC2)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][Branch1][C][C][N][C][C][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1]
InChI: InChI=1S/C23H42N4O/c1-5-26(6-2)15-8-20-28-23-11-9-22(10-12-23)21(3)24-13-7-14-27-18-16-25(4)17-19-27/h9-12,21,24H,5-8,13-20H2,1-4H3
SMILES: CCN(CC)CCCOc1ccc(C(C)NCc2nc3ccccc3[nH]2)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][Branch1][C][C][N][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1]
InChI: InChI=1S/C23H32N4O/c1-4-27(5-2)15-8-16-28-20-13-11-19(12-14-20)18(3)24-17-23-25-21-9-6-7-10-22(21)26-23/h6-7,9-14,18,24H,4-5,8,15-17H2,1-3H3,(H,25,26)
SMILES: CCN(CC)CCCOc1ccc(C(C)NCCN2CCNC2=O)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][C][O][C][=C][C][=C][Branch1][S][C][Branch1][C][C][N][C][C][N][C][C][N][C][Ring1][Branch1][=O][C][=C][Ring1][P]
InChI: InChI=1S/C20H34N4O2/c1-4-23(5-2)13-6-16-26-19-9-7-18(8-10-19)17(3)21-11-14-24-15-12-22-20(24)25/h7-10,17,21H,4-6,11-16H2,1-3H3,(H,22,25)
SMILES: CCN(CC)CCCOc1ccc(C(C)NCCC2CCCN2C)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][C][O][C][=C][C][=C][Branch1][S][C][Branch1][C][C][N][C][C][C][C][C][C][N][Ring1][Branch1][C][C][=C][Ring1][P]
InChI: InChI=1S/C22H39N3O/c1-5-25(6-2)17-8-18-26-22-12-10-20(11-13-22)19(3)23-15-14-21-9-7-16-24(21)4/h10-13,19,21,23H,5-9,14-18H2,1-4H3
SMILES: CCN(CC)CCCOc1ccc(C(C)NCCCn2ccnc2)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][C][O][C][=C][C][=C][Branch1][S][C][Branch1][C][C][N][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][P]
InChI: InChI=1S/C21H34N4O/c1-4-24(5-2)15-7-17-26-21-10-8-20(9-11-21)19(3)23-12-6-14-25-16-13-22-18-25/h8-11,13,16,18-19,23H,4-7,12,14-15,17H2,1-3H3
SMILES: CCN(CC)CCCOc1ccc(C(C)NCCCN(C)C)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][C][O][C][=C][C][=C][Branch1][=C][C][Branch1][C][C][N][C][C][C][N][Branch1][C][C][C][C][=C][Ring1][#C]
InChI: InChI=1S/C20H37N3O/c1-6-23(7-2)16-9-17-24-20-12-10-19(11-13-20)18(3)21-14-8-15-22(4)5/h10-13,18,21H,6-9,14-17H2,1-5H3
SMILES: CCN(CC)CCCOc1ccc(C(C)NCCCN2CCCC2=O)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][C][O][C][=C][C][=C][Branch1][P][C][Branch1][C][C][N][C][C][C][N][C][C][C][C][Ring1][Branch1][=O][C][=C][Ring2][Ring1][C]
InChI: InChI=1S/C22H37N3O2/c1-4-24(5-2)15-8-18-27-21-12-10-20(11-13-21)19(3)23-14-7-17-25-16-6-9-22(25)26/h10-13,19,23H,4-9,14-18H2,1-3H3
SMILES: CCN(CC)CCCOc1ccc(C(C)NCC2CCCN2CC)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][C][O][C][=C][C][=C][Branch1][S][C][Branch1][C][C][N][C][C][C][C][C][N][Ring1][Branch1][C][C][C][=C][Ring1][P]
InChI: InChI=1S/C22H39N3O/c1-5-24(6-2)15-9-17-26-22-13-11-20(12-14-22)19(4)23-18-21-10-8-16-25(21)7-3/h11-14,19,21,23H,5-10,15-18H2,1-4H3
SMILES: CCN(CC)CCCOc1ccc(C(C)N(CCN(C)C)S(=O)(=O)c2ccccc2)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][=C][C][Branch1][C][C][N][Branch1][Branch2][C][C][N][Branch1][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1]
InChI: InChI=1S/C25H39N3O3S/c1-6-27(7-2)18-11-21-31-24-16-14-23(15-17-24)22(3)28(20-19-26(4)5)32(29,30)25-12-9-8-10-13-25/h8-10,12-17,22H,6-7,11,18-21H2,1-5H3
SMILES: CCN(CC)CCCOc1ccc(C(C)N(CCN(C)C)S(=O)(=O)CC(F)(F)F)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][#C][C][Branch1][C][C][N][Branch1][Branch2][C][C][N][Branch1][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring1][=Branch1]
InChI: InChI=1S/C21H36F3N3O3S/c1-6-26(7-2)13-8-16-30-20-11-9-19(10-12-20)18(3)27(15-14-25(4)5)31(28,29)17-21(22,23)24/h9-12,18H,6-8,13-17H2,1-5H3
SMILES: CCN(CC)CCCOc1ccc(C(C)N(CCN(C)C)C(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring2][Ring2][C][Branch1][C][C][N][Branch1][Branch2][C][C][N][Branch1][C][C][C][C][=Branch1][C][=O][O][C@@H1][C][C@H1][Branch1][C][C][C][C][C@H1][Ring1][#Branch1][C][Branch1][C][C][C][C][=C][Ring2][Ring1][O]
InChI: InChI=1S/C30H53N3O3/c1-9-32(10-2)18-11-21-35-27-15-13-26(14-16-27)25(6)33(20-19-31(7)8)30(34)36-29-22-24(5)12-17-28(29)23(3)4/h13-16,23-25,28-29H,9-12,17-22H2,1-8H3/t24-,25?,28+,29-/m1/s1
SMILES: CCN(CC)CCCOc1ccc(C(C)N(CCN(C)C)S(=O)(=O)c2cccs2)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][=N][C][Branch1][C][C][N][Branch1][Branch2][C][C][N][Branch1][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch1]
InChI: InChI=1S/C23H37N3O3S2/c1-6-25(7-2)15-9-18-29-22-13-11-21(12-14-22)20(3)26(17-16-24(4)5)31(27,28)23-10-8-19-30-23/h8,10-14,19-20H,6-7,9,15-18H2,1-5H3
SMILES: CC(NCCN1CCOCC1)c1ccc(OCCCN2CCCCC2)cc1
SELFIES: [C][C][Branch1][N][N][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][=N][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S]
InChI: InChI=1S/C22H37N3O2/c1-20(23-10-14-25-15-18-26-19-16-25)21-6-8-22(9-7-21)27-17-5-13-24-11-3-2-4-12-24/h6-9,20,23H,2-5,10-19H2,1H3
SMILES: CC(NCc1ccccn1)c1ccc(OCCCN2CCCCC2)cc1
SELFIES: [C][C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][Branch1][=N][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S]
InChI: InChI=1S/C22H31N3O/c1-19(24-18-21-8-3-4-13-23-21)20-9-11-22(12-10-20)26-17-7-16-25-14-5-2-6-15-25/h3-4,8-13,19,24H,2,5-7,14-18H2,1H3
SMILES: CC(NCc1ccncc1)c1ccc(OCCCN2CCCCC2)cc1
SELFIES: [C][C][Branch1][O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][=N][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S]
InChI: InChI=1S/C22H31N3O/c1-19(24-18-20-10-12-23-13-11-20)21-6-8-22(9-7-21)26-17-5-16-25-14-3-2-4-15-25/h6-13,19,24H,2-5,14-18H2,1H3
SMILES: CC(NCC1CCCO1)c1ccc(OCCCN2CCCCC2)cc1
SELFIES: [C][C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][C][=C][Branch1][=N][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S]
InChI: InChI=1S/C21H34N2O2/c1-18(22-17-21-7-5-15-25-21)19-8-10-20(11-9-19)24-16-6-14-23-12-3-2-4-13-23/h8-11,18,21-22H,2-7,12-17H2,1H3
SMILES: CCN(CC)CCCOc1ccc(CN)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][C][O][C][=C][C][=C][Branch1][Ring1][C][N][C][=C][Ring1][Branch2]
InChI: InChI=1S/C14H24N2O/c1-3-16(4-2)10-5-11-17-14-8-6-13(12-15)7-9-14/h6-9H,3-5,10-12,15H2,1-2H3
SMILES: CN1CCN(CCOc2ccc(C(=O)N3CC[C@H](N(C)C)C3)cc2)CC1
SELFIES: [C][N][C][C][N][Branch2][Ring1][P][C][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][=Branch1][N][Branch1][C][C][C][C][Ring1][Branch2][C][=C][Ring1][S][C][C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C20H32N4O2/c1-21(2)18-8-9-24(16-18)20(25)17-4-6-19(7-5-17)26-15-14-23-12-10-22(3)11-13-23/h4-7,18H,8-16H2,1-3H3/t18-/m0/s1
SMILES: CN1CCN(CCOc2ccc(C(=O)N3CC[C@@H](N(C)C)C3)cc2)CC1
SELFIES: [C][N][C][C][N][Branch2][Ring1][P][C][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][=Branch1][N][Branch1][C][C][C][C][Ring1][Branch2][C][=C][Ring1][S][C][C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C20H32N4O2/c1-21(2)18-8-9-24(16-18)20(25)17-4-6-19(7-5-17)26-15-14-23-12-10-22(3)11-13-23/h4-7,18H,8-16H2,1-3H3/t18-/m1/s1
SMILES: CN1CCN(CCOc2ccc(C(=O)N3CCC[C@H]3CN3CCCC3)cc2)CC1
SELFIES: [C][N][C][C][N][Branch2][Ring2][Ring1][C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][N][C][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][N]
InChI: InChI=1S/C23H36N4O2/c1-24-13-15-25(16-14-24)17-18-29-22-8-6-20(7-9-22)23(28)27-12-4-5-21(27)19-26-10-2-3-11-26/h6-9,21H,2-5,10-19H2,1H3/t21-/m0/s1
SMILES: CN(C)C[C@@H]1CCCCN1C(=O)c1ccc(OCCN2CCN(C)CC2)cc1
SELFIES: [C][N][Branch1][C][C][C][C@@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][O][C][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][S]
InChI: InChI=1S/C22H36N4O2/c1-23(2)18-20-6-4-5-11-26(20)22(27)19-7-9-21(10-8-19)28-17-16-25-14-12-24(3)13-15-25/h7-10,20H,4-6,11-18H2,1-3H3/t20-/m0/s1
SMILES: c1cc(OCCCN2CCCCC2)ccc1CNCCN1CCCC1
SELFIES: [C][=C][C][Branch1][=N][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring1][S][C][N][C][C][N][C][C][C][C][Ring1][Branch1]
InChI: InChI=1S/C21H35N3O/c1-2-12-23(13-3-1)16-6-18-25-21-9-7-20(8-10-21)19-22-11-17-24-14-4-5-15-24/h7-10,22H,1-6,11-19H2
SMILES: CCN(CC)CCCOc1ccc(CNCCNC)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][C][O][C][=C][C][=C][Branch1][#Branch1][C][N][C][C][N][C][C][=C][Ring1][N]
InChI: InChI=1S/C17H31N3O/c1-4-20(5-2)13-6-14-21-17-9-7-16(8-10-17)15-19-12-11-18-3/h7-10,18-19H,4-6,11-15H2,1-3H3
SMILES: CCN(CC)CCCOc1ccc(CNC[C@@H]2CCCN2CC)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][C][O][C][=C][C][=C][Branch1][=N][C][N][C][C@@H1][C][C][C][N][Ring1][Branch1][C][C][C][=C][Ring1][S]
InChI: InChI=1S/C21H37N3O/c1-4-23(5-2)14-8-16-25-21-12-10-19(11-13-21)17-22-18-20-9-7-15-24(20)6-3/h10-13,20,22H,4-9,14-18H2,1-3H3/t20-/m0/s1
SMILES: CCN(CC)CCCOc1ccc(CNCCN2CCCCC2)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][C][O][C][=C][C][=C][Branch1][=N][C][N][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S]
InChI: InChI=1S/C21H37N3O/c1-3-23(4-2)16-8-18-25-21-11-9-20(10-12-21)19-22-13-17-24-14-6-5-7-15-24/h9-12,22H,3-8,13-19H2,1-2H3
SMILES: CCN(CC)CCCOc1ccc(CNC(C)CN(C)C)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][C][O][C][=C][C][=C][Branch1][=N][C][N][C][Branch1][C][C][C][N][Branch1][C][C][C][C][=C][Ring1][=C]
InChI: InChI=1S/C19H35N3O/c1-6-22(7-2)13-8-14-23-19-11-9-18(10-12-19)15-20-17(3)16-21(4)5/h9-12,17,20H,6-8,13-16H2,1-5H3
SMILES: CCN(CC)CCCOc1ccc(CNC2CN(CC)N(CC)C2)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][C][C][N][C][C][N][Branch1][Ring1][C][C][N][Branch1][Ring1][C][C][C][Ring1][=Branch2][C][=C][Ring1][P]
InChI: InChI=1S/C21H38N4O/c1-5-23(6-2)14-9-15-26-21-12-10-19(11-13-21)16-22-20-17-24(7-3)25(8-4)18-20/h10-13,20,22H,5-9,14-18H2,1-4H3
SMILES: CCN(CC)CCCOc1ccc(CNCCCN2CCN(C)CC2)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][C][O][C][=C][C][=C][Branch1][P][C][N][C][C][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][C]
InChI: InChI=1S/C22H40N4O/c1-4-25(5-2)14-7-19-27-22-10-8-21(9-11-22)20-23-12-6-13-26-17-15-24(3)16-18-26/h8-11,23H,4-7,12-20H2,1-3H3
SMILES: CCN(CC)CCCOc1ccc(CNCCN2CCNC2=O)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][C][O][C][=C][C][=C][Branch1][=N][C][N][C][C][N][C][C][N][C][Ring1][Branch1][=O][C][=C][Ring1][S]
InChI: InChI=1S/C19H32N4O2/c1-3-22(4-2)12-5-15-25-18-8-6-17(7-9-18)16-20-10-13-23-14-11-21-19(23)24/h6-9,20H,3-5,10-16H2,1-2H3,(H,21,24)
SMILES: CCN(CC)CCCOc1ccc(CNCC[C@H]2CCCN2C)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][C][O][C][=C][C][=C][Branch1][=N][C][N][C][C][C@H1][C][C][C][N][Ring1][Branch1][C][C][=C][Ring1][S]
InChI: InChI=1S/C21H37N3O/c1-4-24(5-2)16-7-17-25-21-11-9-19(10-12-21)18-22-14-13-20-8-6-15-23(20)3/h9-12,20,22H,4-8,13-18H2,1-3H3/t20-/m1/s1
SMILES: c1cn(CCCNCc2ccc(OCCCN3CCCCC3)cc2)cn1
SELFIES: [C][=C][N][Branch2][Ring1][N][C][C][C][N][C][C][=C][C][=C][Branch1][=N][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S][C][=N][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C21H32N4O/c1-2-12-24(13-3-1)15-5-17-26-21-8-6-20(7-9-21)18-22-10-4-14-25-16-11-23-19-25/h6-9,11,16,19,22H,1-5,10,12-15,17-18H2
SMILES: CN(C)CCCNCc1ccc(OCCCN2CCCCC2)cc1
SELFIES: [C][N][Branch1][C][C][C][C][C][N][C][C][=C][C][=C][Branch1][=N][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S]
InChI: InChI=1S/C20H35N3O/c1-22(2)13-6-12-21-18-19-8-10-20(11-9-19)24-17-7-16-23-14-4-3-5-15-23/h8-11,21H,3-7,12-18H2,1-2H3
SMILES: O=C1CCCN1CCCNCc1ccc(OCCCN2CCCCC2)cc1
SELFIES: [O][=C][C][C][C][N][Ring1][Branch1][C][C][C][N][C][C][=C][C][=C][Branch1][=N][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S]
InChI: InChI=1S/C22H35N3O2/c26-22-7-4-16-25(22)17-5-12-23-19-20-8-10-21(11-9-20)27-18-6-15-24-13-2-1-3-14-24/h8-11,23H,1-7,12-19H2
SMILES: c1cc(OCCCN2CCCCC2)ccc1CNCCCN1CCOCC1
SELFIES: [C][=C][C][Branch1][=N][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring1][S][C][N][C][C][C][N][C][C][O][C][C][Ring1][=Branch1]
InChI: InChI=1S/C22H37N3O2/c1-2-11-24(12-3-1)14-5-17-27-22-8-6-21(7-9-22)20-23-10-4-13-25-15-18-26-19-16-25/h6-9,23H,1-5,10-20H2
SMILES: CCN(CC)CCCOc1ccc(CNCCCN2CCCCC2C)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][C][O][C][=C][C][=C][Branch1][#C][C][N][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][C][=C][Ring2][Ring1][C]
InChI: InChI=1S/C23H41N3O/c1-4-25(5-2)16-9-19-27-23-13-11-22(12-14-23)20-24-15-8-18-26-17-7-6-10-21(26)3/h11-14,21,24H,4-10,15-20H2,1-3H3
SMILES: c1cc(OCCCN2CCCCC2)ccc1CNCCCN1CCCC1
SELFIES: [C][=C][C][Branch1][=N][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring1][S][C][N][C][C][C][N][C][C][C][C][Ring1][Branch1]
InChI: InChI=1S/C22H37N3O/c1-2-13-25(14-3-1)18-7-19-26-22-10-8-21(9-11-22)20-23-12-6-17-24-15-4-5-16-24/h8-11,23H,1-7,12-20H2
SMILES: CCN(CC)CCCOc1ccc(CN(C)CCN(C)C)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][C][O][C][=C][C][=C][Branch1][=N][C][N][Branch1][C][C][C][C][N][Branch1][C][C][C][C][=C][Ring1][=C]
InChI: InChI=1S/C19H35N3O/c1-6-22(7-2)13-8-16-23-19-11-9-18(10-12-19)17-21(5)15-14-20(3)4/h9-12H,6-8,13-17H2,1-5H3
SMILES: CNCCNCc1ccc(OCCCN2CCCCC2)cc1
SELFIES: [C][N][C][C][N][C][C][=C][C][=C][Branch1][=N][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S]
InChI: InChI=1S/C18H31N3O/c1-19-10-11-20-16-17-6-8-18(9-7-17)22-15-5-14-21-12-3-2-4-13-21/h6-9,19-20H,2-5,10-16H2,1H3
SMILES: CCN1CCC[C@H]1CNCc1ccc(OCCCN2CCCCC2)cc1
SELFIES: [C][C][N][C][C][C][C@H1][Ring1][Branch1][C][N][C][C][=C][C][=C][Branch1][=N][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S]
InChI: InChI=1S/C22H37N3O/c1-2-25-16-6-8-21(25)19-23-18-20-9-11-22(12-10-20)26-17-7-15-24-13-4-3-5-14-24/h9-12,21,23H,2-8,13-19H2,1H3/t21-/m0/s1
SMILES: c1cc(OCCCN2CCCCC2)ccc1CNCCN1CCCCC1
SELFIES: [C][=C][C][Branch1][=N][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring1][S][C][N][C][C][N][C][C][C][C][C][Ring1][=Branch1]
InChI: InChI=1S/C22H37N3O/c1-3-13-24(14-4-1)17-7-19-26-22-10-8-21(9-11-22)20-23-12-18-25-15-5-2-6-16-25/h8-11,23H,1-7,12-20H2
SMILES: CC(CN(C)C)NCc1ccc(OCCCN2CCCCC2)cc1
SELFIES: [C][C][Branch1][#Branch1][C][N][Branch1][C][C][C][N][C][C][=C][C][=C][Branch1][=N][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S]
InChI: InChI=1S/C20H35N3O/c1-18(17-22(2)3)21-16-19-8-10-20(11-9-19)24-15-7-14-23-12-5-4-6-13-23/h8-11,18,21H,4-7,12-17H2,1-3H3
SMILES: O=C1NCCN1CCNCc1ccc(OCCCN2CCCCC2)cc1
SELFIES: [O][=C][N][C][C][N][Ring1][Branch1][C][C][N][C][C][=C][C][=C][Branch1][=N][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S]
InChI: InChI=1S/C20H32N4O2/c25-20-22-10-15-24(20)14-9-21-17-18-5-7-19(8-6-18)26-16-4-13-23-11-2-1-3-12-23/h5-8,21H,1-4,9-17H2,(H,22,25)
SMILES: CN1CCC[C@@H]1CCNCc1ccc(OCCCN2CCCCC2)cc1
SELFIES: [C][N][C][C][C][C@@H1][Ring1][Branch1][C][C][N][C][C][=C][C][=C][Branch1][=N][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S]
InChI: InChI=1S/C22H37N3O/c1-24-14-5-7-21(24)12-13-23-19-20-8-10-22(11-9-20)26-18-6-17-25-15-3-2-4-16-25/h8-11,21,23H,2-7,12-19H2,1H3/t21-/m1/s1
SMILES: CCN(CC)CCCOc1ccc(CNCCCn2ccnc2)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][C][O][C][=C][C][=C][Branch1][=N][C][N][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][S]
InChI: InChI=1S/C20H32N4O/c1-3-23(4-2)14-6-16-25-20-9-7-19(8-10-20)17-21-11-5-13-24-15-12-22-18-24/h7-10,12,15,18,21H,3-6,11,13-14,16-17H2,1-2H3
SMILES: CCN(CC)CCCOc1ccc(CNCCCN(C)C)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][C][O][C][=C][C][=C][Branch1][O][C][N][C][C][C][N][Branch1][C][C][C][C][=C][Ring1][=C]
InChI: InChI=1S/C19H35N3O/c1-5-22(6-2)15-8-16-23-19-11-9-18(10-12-19)17-20-13-7-14-21(3)4/h9-12,20H,5-8,13-17H2,1-4H3
SMILES: CCN(CC)CCCOc1ccc(CNCCCN2CCCC2=O)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][C][O][C][=C][C][=C][Branch1][=C][C][N][C][C][C][N][C][C][C][C][Ring1][Branch1][=O][C][=C][Ring1][P]
InChI: InChI=1S/C21H35N3O2/c1-3-23(4-2)14-7-17-26-20-11-9-19(10-12-20)18-22-13-6-16-24-15-5-8-21(24)25/h9-12,22H,3-8,13-18H2,1-2H3
SMILES: CCN(CC)CCCOc1ccc(CNCCCN2CCOCC2)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][C][O][C][=C][C][=C][Branch1][=C][C][N][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][P]
InChI: InChI=1S/C21H37N3O2/c1-3-23(4-2)13-6-16-26-21-9-7-20(8-10-21)19-22-11-5-12-24-14-17-25-18-15-24/h7-10,22H,3-6,11-19H2,1-2H3
SMILES: CCN(CC)CCCOc1ccc(CNCCCN2CCCC2)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][C][O][C][=C][C][=C][Branch1][=N][C][N][C][C][C][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][S]
InChI: InChI=1S/C21H37N3O/c1-3-23(4-2)17-8-18-25-21-11-9-20(10-12-21)19-22-13-7-16-24-14-5-6-15-24/h9-12,22H,3-8,13-19H2,1-2H3
SMILES: CC1CCCCN1CCCNCc1ccc(OCCCN2CCCCC2)cc1
SELFIES: [C][C][C][C][C][C][N][Ring1][=Branch1][C][C][C][N][C][C][=C][C][=C][Branch1][=N][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S]
InChI: InChI=1S/C24H41N3O/c1-22-9-3-6-18-27(22)19-7-14-25-21-23-10-12-24(13-11-23)28-20-8-17-26-15-4-2-5-16-26/h10-13,22,25H,2-9,14-21H2,1H3
SMILES: CN(C)CCCOc1ccc2c(c1)CCCC2NCCN(C)C
SELFIES: [C][N][Branch1][C][C][C][C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1][N][C][C][N][Branch1][C][C][C]
InChI: InChI=1S/C19H33N3O/c1-21(2)12-6-14-23-17-9-10-18-16(15-17)7-5-8-19(18)20-11-13-22(3)4/h9-10,15,19-20H,5-8,11-14H2,1-4H3
SMILES: CC(COc1ccc2c(c1)CCCC2NCCN(C)C)CN(C)C
SELFIES: [C][C][Branch2][Ring1][O][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1][N][C][C][N][Branch1][C][C][C][C][N][Branch1][C][C][C]
InChI: InChI=1S/C20H35N3O/c1-16(14-23(4)5)15-24-18-9-10-19-17(13-18)7-6-8-20(19)21-11-12-22(2)3/h9-10,13,16,20-21H,6-8,11-12,14-15H2,1-5H3
SMILES: CN(C)CCNC1CCCc2cc(OCC3CCCN(C)C3)ccc21
SELFIES: [C][N][Branch1][C][C][C][C][N][C][C][C][C][C][=C][C][Branch1][=C][O][C][C][C][C][C][N][Branch1][C][C][C][Ring1][#Branch1][=C][C][=C][Ring1][#C][Ring2][Ring1][Ring1]
InChI: InChI=1S/C21H35N3O/c1-23(2)13-11-22-21-8-4-7-18-14-19(9-10-20(18)21)25-16-17-6-5-12-24(3)15-17/h9-10,14,17,21-22H,4-8,11-13,15-16H2,1-3H3
SMILES: CCC(NCCN(C)C)c1ccc(OCC(C)CN(C)C)cc1
SELFIES: [C][C][C][Branch1][=Branch2][N][C][C][N][Branch1][C][C][C][C][=C][C][=C][Branch1][=N][O][C][C][Branch1][C][C][C][N][Branch1][C][C][C][C][=C][Ring1][=C]
InChI: InChI=1S/C19H35N3O/c1-7-19(20-12-13-21(3)4)17-8-10-18(11-9-17)23-15-16(2)14-22(5)6/h8-11,16,19-20H,7,12-15H2,1-6H3
SMILES: CCCC(NCCN(C)C)c1ccc(OCC(C)CN(C)C)cc1
SELFIES: [C][C][C][C][Branch1][=Branch2][N][C][C][N][Branch1][C][C][C][C][=C][C][=C][Branch1][=N][O][C][C][Branch1][C][C][C][N][Branch1][C][C][C][C][=C][Ring1][=C]
InChI: InChI=1S/C20H37N3O/c1-7-8-20(21-13-14-22(3)4)18-9-11-19(12-10-18)24-16-17(2)15-23(5)6/h9-12,17,20-21H,7-8,13-16H2,1-6H3
SMILES: CN(C)CCNC1CCCc2cc(OCCCN3CCCCC3)ccc21
SELFIES: [C][N][Branch1][C][C][C][C][N][C][C][C][C][C][=C][C][Branch1][=N][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring1][S][Ring2][Ring1][Ring2]
InChI: InChI=1S/C22H37N3O/c1-24(2)16-12-23-22-9-6-8-19-18-20(10-11-21(19)22)26-17-7-15-25-13-4-3-5-14-25/h10-11,18,22-23H,3-9,12-17H2,1-2H3
SMILES: CN(C)CCNC1CCCc2cc(OCCN3CCCCC3)ccc21
SELFIES: [C][N][Branch1][C][C][C][C][N][C][C][C][C][C][=C][C][Branch1][N][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring1][#C][Ring2][Ring1][Ring1]
InChI: InChI=1S/C21H35N3O/c1-23(2)14-11-22-21-8-6-7-18-17-19(9-10-20(18)21)25-16-15-24-12-4-3-5-13-24/h9-10,17,21-22H,3-8,11-16H2,1-2H3
SMILES: CCC(NCCN(C)C)c1ccc(OCCCN2CCCCC2)cc1
SELFIES: [C][C][C][Branch1][=Branch2][N][C][C][N][Branch1][C][C][C][C][=C][C][=C][Branch1][=N][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S]
InChI: InChI=1S/C21H37N3O/c1-4-21(22-13-17-23(2)3)19-9-11-20(12-10-19)25-18-8-16-24-14-6-5-7-15-24/h9-12,21-22H,4-8,13-18H2,1-3H3
SMILES: CCC(NCCN(C)C)c1ccc(OCCN2CCCCC2)cc1
SELFIES: [C][C][C][Branch1][=Branch2][N][C][C][N][Branch1][C][C][C][C][=C][C][=C][Branch1][N][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C]
InChI: InChI=1S/C20H35N3O/c1-4-20(21-12-15-22(2)3)18-8-10-19(11-9-18)24-17-16-23-13-6-5-7-14-23/h8-11,20-21H,4-7,12-17H2,1-3H3
SMILES: CCCC(NCCN(C)C)c1ccc(OCCCN(C)C)cc1
SELFIES: [C][C][C][C][Branch1][=Branch2][N][C][C][N][Branch1][C][C][C][C][=C][C][=C][Branch1][#Branch2][O][C][C][C][N][Branch1][C][C][C][C][=C][Ring1][=N]
InChI: InChI=1S/C19H35N3O/c1-6-8-19(20-13-15-22(4)5)17-9-11-18(12-10-17)23-16-7-14-21(2)3/h9-12,19-20H,6-8,13-16H2,1-5H3
SMILES: CCCC(NCCN(C)C)c1ccc(OCCN2CCCCC2)cc1
SELFIES: [C][C][C][C][Branch1][=Branch2][N][C][C][N][Branch1][C][C][C][C][=C][C][=C][Branch1][N][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C]
InChI: InChI=1S/C21H37N3O/c1-4-8-21(22-13-16-23(2)3)19-9-11-20(12-10-19)25-18-17-24-14-6-5-7-15-24/h9-12,21-22H,4-8,13-18H2,1-3H3
SMILES: CC(NCCN1CCOCC1)c1ccc(OCCCN(C)C)cc1
SELFIES: [C][C][Branch1][N][N][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][#Branch2][O][C][C][C][N][Branch1][C][C][C][C][=C][Ring1][=N]
InChI: InChI=1S/C19H33N3O2/c1-17(20-9-11-22-12-15-23-16-13-22)18-5-7-19(8-6-18)24-14-4-10-21(2)3/h5-8,17,20H,4,9-16H2,1-3H3
SMILES: CCN1CCCC1CNC(C)c1ccc(OCCCN(C)C)cc1
SELFIES: [C][C][N][C][C][C][C][Ring1][Branch1][C][N][C][Branch1][C][C][C][=C][C][=C][Branch1][#Branch2][O][C][C][C][N][Branch1][C][C][C][C][=C][Ring1][=N]
InChI: InChI=1S/C20H35N3O/c1-5-23-14-6-8-19(23)16-21-17(2)18-9-11-20(12-10-18)24-15-7-13-22(3)4/h9-12,17,19,21H,5-8,13-16H2,1-4H3
SMILES: CC(NC1CCN(Cc2ccccc2)CC1)c1ccc(OCCCN(C)C)cc1
SELFIES: [C][C][Branch2][Ring1][Branch1][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][C][=C][Branch1][#Branch2][O][C][C][C][N][Branch1][C][C][C][C][=C][Ring1][=N]
InChI: InChI=1S/C25H37N3O/c1-21(23-10-12-25(13-11-23)29-19-7-16-27(2)3)26-24-14-17-28(18-15-24)20-22-8-5-4-6-9-22/h4-6,8-13,21,24,26H,7,14-20H2,1-3H3
SMILES: CC(NCCCN1CCCCCC1)c1ccc(OCCCN(C)C)cc1
SELFIES: [C][C][Branch1][=C][N][C][C][C][N][C][C][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][Branch1][#Branch2][O][C][C][C][N][Branch1][C][C][C][C][=C][Ring1][=N]
InChI: InChI=1S/C22H39N3O/c1-20(23-14-8-18-25-16-6-4-5-7-17-25)21-10-12-22(13-11-21)26-19-9-15-24(2)3/h10-13,20,23H,4-9,14-19H2,1-3H3
SMILES: CN1CCCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1
SELFIES: [C][N][C][C][C][N][Branch2][Ring1][Branch2][C][C][=C][C][=C][Branch1][=N][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S][C][C][Ring2][Ring1][Branch2]
InChI: InChI=1S/C21H35N3O/c1-22-11-5-14-24(17-16-22)19-20-7-9-21(10-8-20)25-18-6-15-23-12-3-2-4-13-23/h7-10H,2-6,11-19H2,1H3
SMILES: CCN(CC)CCCOc1ccc(CN2CCN(C)CC2)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][C][O][C][=C][C][=C][Branch1][=N][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][=C]
InChI: InChI=1S/C19H33N3O/c1-4-21(5-2)11-6-16-23-19-9-7-18(8-10-19)17-22-14-12-20(3)13-15-22/h7-10H,4-6,11-17H2,1-3H3