aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD40241 | 1.08 | 207.25 | C11H15O2N2 | [NH3+]C1CCc2ccc([N+](=O)[O-])cc2CC1 |
|
AD40242 | 0.52 | 305.23 | C11H9O5N6 | Cc1c(NC2=C(C(N)=O)N=C[N]2)cc([N+](=O)[O-])cc1[N+](=O)[O-] |
|
AD40243 | 2.6 | 264.67 | C12H9O2N4Cl | Cc1c(N)nc(-c2ccc([N+](=O)[O-])cc2)nc1Cl |
|
AD40244 | 2.49 | 268.07 | C9H6O2N3Br | Nc1c([N+](=O)[O-])cnc2cc(Br)ccc12 |
|
AD40245 | 1.57 | 284.22 | C15H8O6 | O=C(O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O |
|
AD40246 | 2.08 | 266.3 | C10H6O3N2S2 | O=C1NC(=S)SC1=Cc1ccc([N+](=O)[O-])cc1 |
|
AD40247 | 0.97 | 286.14 | C10H9O4NCl2S | O=S(=O)(NCCO)c1cc(Cl)cc(Cl)c1O |
|
AD40248 | 1.72 | 309.35 | C16H17ON6 | COc1ccc(N2CCN(c3ncnc4c3N=C[N]4)CC2)cc1 |
|
AD40249 | 1.83 | 309.35 | C16H17ON6 | C1=Nc2c(ncnc2NCc2ccc(N3CCOCC3)cc2)[N]1 |
|
AD40250 | 1.68 | 296.27 | C13H10O2N7 | Nc1ncnc2c1N=C(N=NCc1ccc3c(c1)OCO3)[N]2 |