aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD33431 | 2.06 | 202.32 | C14H20N | [NH3+]C1CCC2(CCc3ccccc32)CC1 |
|
AD33432 | 0.94 | 212.22 | C10H8N6 | C1=Nc2c(ncnc2Nc2cc[nH+]cc2)[N]1 |
|
AD33433 | 1.18 | 239.28 | C13H13N5 | [NH3+]Cc1ccc(Nc2ncnc3c2C=C[N]3)cc1 |
|
AD33434 | 2.71 | 245.08 | C8H9O2N2Br | CNc1cc(Br)c(C)cc1[N+](=O)[O-] |
|
AD33435 | 0.41 | 73.05 | C2H3O2N | C=C[N+](=O)[O-] |
|
AD33436 | 2.97 | 194.24 | C13H10N2 | Nc1nc2ccccc2c2ccccc12 |
|
AD33437 | 2.47 | 194.23 | C10H14O2N2 | CC(C)(C)c1ccc(N)c([N+](=O)[O-])c1 |
|
AD33438 | 2.39 | 195.25 | C13H11N2 | Nc1c2ccccc2[nH+]c2ccccc12 |
|
AD33439 | 1.99 | 234.29 | C8H4N5S2 | C1=Nc2c(ncnc2Sc2nccs2)[N]1 |
|
AD33440 | 2.82 | 241.25 | C14H11O3N | Cc1occc1C(=O)OCc1ccccc1C#N |