aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD13471 | 2.35 | 274.27 | C15H14O5 | COc1cc(O)c(C(=O)c2ccc(O)cc2)c(OC)c1 |
|
AD13472 | 4.99 | 372.46 | C22H28O5 | CCCCOc1ccc(C(=O)c2c(O)cc(OC)cc2OCCCC)cc1 |
|
AD13473 | 1.66 | 198.2 | C7H6O3N2S | O=[N+]([O-])c1ccc(C(S)=NO)cc1 |
|
AD13474 | 1.27 | 293.69 | C13H9ON5FCl | Nc1nc2c(c(=O)[nH]1)[N+](Cc1cc(F)ccc1Cl)=C[N]2 |
|
AD13475 | 3.35 | 229.32 | C15H19ON | CNCc1c(OC(C)C)ccc2ccccc12 |
|
AD13476 | 2.06 | 216.24 | C12H12O2N2 | CCCCC#Cc1cc2c[nH]c(=O)nc2o1 |
|
AD13477 | 1.8 | 216.27 | C11H14N5 | C1=N[N]c2ncnc(NC3CCCCC3)c21 |
|
AD13478 | 2.05 | 346.31 | C12H8O4N7S | Nc1ncnc2c1N=C(SCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[N]2 |
|
AD13479 | 1.29 | 283.32 | C14H15ON6 | CC(O)(CNc1nc(N)c2c(n1)[N]C=N2)c1ccccc1 |
|
AD13480 | 2.38 | 315.32 | C17H17O5N | COc1cccc(C2Oc3ccc(OC)cc3C(=NO)C2O)c1 |