aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD33421 | 1.3 | 240.27 | C12H12N6 | CNc1cc(Nc2ncnc3c2C=C[N]3)cc[nH+]1 |
|
AD33422 | 0.57 | 224.32 | C13H22O2N | COc1ccc(CCC(C)[NH2+]CCO)cc1 |
|
AD33423 | 0.21 | 221.32 | C13H21ON2 | OCC[NH2+]C1CCN(c2ccccc2)CC1 |
|
AD33424 | 1.87 | 206.29 | C10H12N3S | C[n+]1c[nH]cc1Nc1ccc(S)cc1 |
|
AD33425 | 0.2 | 228.7 | C12H15O2NCl | OCC[NH2+]C1COc2ccc(Cl)cc2C1 |
|
AD33426 | 2.17 | 205.11 | C11H12NCl2 | CC([NH3+])Cc1ccc(Cl)cc1Cl |
|
AD33427 | 0.83 | 214.72 | C12H17ONCl | CC(Cc1cccc(Cl)c1)[NH2+]CCO |
|
AD33428 | 0.95 | 208.32 | C13H22ON | CCCC(Cc1ccccc1)[NH2+]CCO |
|
AD33429 | 0.18 | 210.3 | C12H20O2N | COc1ccccc1CC(C)[NH2+]CCO |
|
AD33430 | 0.38 | 228.26 | C12H16ONF2 | OCC[NH2+]C1CCc2cc(F)c(F)cc2C1 |