aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD38891 | -0.46 | 309.27 | C13H9O2N8 | Nc1nc2c(c(=O)[nH]1)N=C(NN=C1C(=O)Nc3ccccc31)[N]2 |
|
AD38892 | 0.12 | 313.26 | C12H9O3N8 | Nc1nc2c(c(=O)[nH]1)N=C(NN=Cc1cccc([N+](=O)[O-])c1)[N]2 |
|
AD38893 | -0.05 | 279.34 | C13H21O2N5 | CC(N)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O |
|
AD38894 | 0.71 | 285.33 | C11H15O4N3S | NC1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 |
|
AD38895 | 0.56 | 273.35 | C13H25O4N2 | CCOC(=O)C1CCC([NH3+])CN1C(=O)OC(C)(C)C |
|
AD38896 | 0.44 | 265.33 | C14H21O3N2 | COc1ccc(CN2CCC([NH3+])CC2=O)c(OC)c1 |
|
AD38897 | 0.56 | 273.35 | C13H25O4N2 | CCOC(=O)C1CC([NH3+])CCN1C(=O)OC(C)(C)C |
|
AD38898 | 1.44 | 204.23 | C11H12O2N2 | CC(C)Oc1ccc(C(N)=O)cc1C#N |
|
AD38899 | 1.2 | 204.23 | C11H12O2N2 | CC(C)(Oc1ccc(C#N)cc1)C(N)=O |
|
AD38900 | -0.55 | 304.31 | C12H10O3N5S | Cc1ccc(S(=O)(=O)NC2=C(C(N)=O)N=C[N]2)cc1C#N |