aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD43821 | -1.35 | 241.32 | C11H21O2N4 | C[NH+](C)CC(C)(C)CNc1c[nH]c(=O)[nH]c1=O |
|
AD43822 | -0.36 | 226.67 | C9H11N6Cl | C[NH2+]CCNc1nc(Cl)nc2c1N=C[N]2 |
|
AD43823 | 0.69 | 166.14 | C7H6O3N2 | NC(=O)c1ccccc1[N+](=O)[O-] |
|
AD43824 | 0.7 | 140.1 | C5H4O3N2 | O=[N+]([O-])c1ncccc1O |
|
AD43825 | 1.31 | 169.14 | C7H7O4N | COc1ccc([N+](=O)[O-])c(O)c1 |
|
AD43826 | 0.29 | 156.1 | C5H4O4N2 | NC(=O)c1ccc([N+](=O)[O-])o1 |
|
AD43827 | 0.43 | 190.96 | C3HO2N3Br | O=[N+]([O-])C1=C(Br)N=C[N]1 |
|
AD43828 | -0.1 | 191.95 | C2O2N4Br | O=[N+]([O-])C1=N[N]C(Br)=N1 |
|
AD43829 | 2.38 | 281.25 | C13H9O2N6 | O=[N+]([O-])C=Cc1ccc(Nc2ncnc3c2N=C[N]3)cc1 |
|
AD43830 | 3.41 | 249.31 | C17H15ON | NC(=O)CCc1c2ccccc2cc2ccccc12 |