aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD04691 | -1.55 | 233.21 | C10H9O3N4 | O=C([O-])C(O)Cn1cc(-c2cccnc2)nn1 |
|
AD04692 | 2.79 | 272.3 | C16H16O4 | CC(=O)c1c(O)ccc(O)c1CCc1ccc(O)cc1 |
|
AD04693 | -0.13 | 149.13 | C6H5ON4 | Nc1cc2c(c(=O)[nH]1)[N]C=N2 |
|
AD04694 | 3.13 | 234.68 | C14H11O2Cl | Oc1cccc(C(O)c2ccc(Cl)cc2)c1 |
|
AD04695 | 0.77 | 210.19 | C10H10O5 | CC1(O)CC(=O)c2c(O)cc(O)cc2O1 |
|
AD04696 | 1.66 | 198.26 | C11H18O3 | COC(=O)C1=CCC(C(C)(C)O)CC1 |
|
AD04697 | 2.74 | 252.3 | C13H8N4S | N#Cc1c(N)[nH]c(=S)c(C#N)c1-c1ccccc1 |
|
AD04698 | 6.19 | 457.66 | C31H39O2N | CC#CC1(O)CCC2C3CCC4=CC(=O)CCC4=C3C(c3ccc(N(C)CCC)cc3)CC21C |
|
AD04699 | -0.35 | 327.32 | C12H13O6N3S | CC(CNC=O)Oc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 |
|
AD04700 | 1.08 | 258.92 | C4H6O6P2Cl2 | COP(=O)(O)C(Cl)(Cl)P(=O)(O)O |