aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD36201 | 2.96 | 259.1 | C9H11O2N2Br | CCc1cc([N+](=O)[O-])c(NC)cc1Br |
|
AD36202 | 2.65 | 212.2 | C13H8O3 | O=c1c2ccccc2oc2ccc(O)cc12 |
|
AD36203 | 2.09 | 256.2 | C11H6O3N5 | O=[N+]([O-])c1cccc(Oc2ncnc3c2N=C[N]3)c1 |
|
AD36204 | 2.09 | 256.2 | C11H6O3N5 | O=[N+]([O-])c1ccc(Oc2ncnc3c2N=C[N]3)cc1 |
|
AD36205 | 3.04 | 230.22 | C12H10O3N2 | O=[N+]([O-])c1ccc(Nc2ccc(O)cc2)cc1 |
|
AD36206 | 2.04 | 255.22 | C11H7O2N6 | O=[N+]([O-])c1ccc(Nc2ncnc3c2N=C[N]3)cc1 |
|
AD36207 | 2.35 | 254.23 | C12H8O2N5 | O=[N+]([O-])c1ccc(Nc2ncnc3c2C=C[N]3)cc1 |
|
AD36208 | 3.02 | 229.67 | C13H8N3Cl | Nc1nc2c(ccc3ccccc32)nc1Cl |
|
AD36209 | 2.84 | 214.22 | C12H10O2N2 | Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 |
|
AD36210 | 0.4 | 251.31 | C13H19O3N2 | O=[N+]([O-])c1ccc2c(c1)CCC([NH2+]CCO)CC2 |