aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD42501 | 2.2 | 343.18 | C13H6O2N5Cl2S | O=S(=O)(Nc1ncnc2c1C=C[N]2)c1ccc(Cl)nc1Cl |
|
AD42502 | 2.89 | 319.17 | C13H8O3N2Cl2S | O=S(=O)(Nc1ccc(O)cc1)c1ccc(Cl)nc1Cl |
|
AD42503 | 2.2 | 343.18 | C13H6O2N5Cl2S | O=S(=O)(Nc1ncnc2c1C=C[N]2)c1cnc(Cl)c(Cl)c1 |
|
AD42504 | 1.07 | 359.36 | C16H12O3N4FS | NC(=O)C1=C(NS(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)[N]C=N1 |
|
AD42505 | 0.77 | 268.32 | C14H16N6 | C[NH+](C)Cc1ccccc1Nc1ncnc2c1N=C[N]2 |
|
AD42506 | 1.17 | 355.36 | C16H11O4N4S | NC(=O)C1=C(NS(=O)(=O)c2ccc3oc4ccccc4c3c2)[N]C=N1 |
|
AD42507 | 2.23 | 280.27 | C14H10O2N5 | O=C(O)C=Cc1cccc(Nc2ncnc3c2N=C[N]3)c1 |
|
AD42508 | 2.63 | 353.79 | C15H11O2N4FClS | O=S(=O)(CCc1ccc(Cl)cc1)Nc1ncnc2c1C(F)=C[N]2 |
|
AD42509 | 2.02 | 336.78 | C14H11O2N5ClS | O=S(=O)(CCc1ccc(Cl)cc1)Nc1ncnc2c1N=C[N]2 |
|
AD42510 | 2.61 | 339.15 | C10H5O2N5SBr | O=C(O)c1ccc(Nc2ncnc3c2N=C(Br)[N]3)s1 |