aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD32271 | 0.18 | 209.25 | C10H15O2N3 | CC1CCc2c1n[nH]c2C(=O)NCCO |
|
AD32272 | 0.88 | 241.23 | C8H6O2N4FS | C=CS(=O)(=O)Nc1ncnc2c1C(F)=C[N]2 |
|
AD32273 | 0.39 | 217.17 | C9H9O3NF2 | O=C(NCCO)c1c(O)ccc(F)c1F |
|
AD32274 | 0.69 | 220.28 | C11H16ON4 | CCCC(O)CNc1[nH+]cnc2c1C=C[N]2 |
|
AD32275 | -0.28 | 234.31 | C11H18N6 | CC(C)[NH+](C)CCNc1ncnc2c1N=C[N]2 |
|
AD32276 | 0.54 | 220.28 | C11H16ON4 | CC(C)C(O)CNc1[nH+]cnc2c1C=C[N]2 |
|
AD32277 | 0.8 | 211.31 | C9H15N4S | CSc1nc(N2CCCC2)cc(N)[nH+]1 |
|
AD32278 | 0.4 | 192.29 | C11H18N3 | C[NH+]1CCCCC1c1ccc(N)nc1 |
|
AD32279 | 1.1 | 213.06 | C7H7N3Br | Nc1c[nH+]c2c(Br)cccn12 |
|
AD32280 | 0.89 | 191.3 | C12H19N2 | [NH3+]C1CCN(Cc2ccccc2)CC1 |