aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD13701 | -0.27 | 174.24 | C8H18O2N2 | COCCNC(=O)C(N)C(C)C |
|
AD13702 | -1.61 | 260.29 | C5H12O6N2S2 | COS(=O)(=O)N=[S+](C)([O-])CC(N)C(=O)O |
|
AD13703 | 2.14 | 388.33 | C19H16O9 | COC(=O)COc1cc(O)c2c(=O)c(OC)c(-c3ccc(O)c(O)c3)oc2c1 |
|
AD13704 | -0.55 | 163.14 | C6H5ON5 | NC(=O)c1ncnc2cn[nH]c12 |
|
AD13705 | -1.74 | 118.09 | C4H6O4 | O=C1OCC(O)C1O |
|
AD13706 | 0.63 | 166.19 | C5H4N5S | Nc1nc(=S)c2c([nH]1)[N]C=N2 |
|
AD13707 | 2.69 | 238.27 | C13H12N5 | CCc1ccc(Nc2ncnc3c2N=C[N]3)cc1 |
|
AD13708 | 2.85 | 259.29 | C16H11N4 | Nc1ncnc2c1C(c1cccc3ccccc13)=C[N]2 |
|
AD13709 | 1.69 | 183.19 | C10H7N4 | C1=Cc2c(ncnc2-c2ccc[nH]2)[N]1 |
|
AD13710 | 2.79 | 276.68 | C13H8N5FCl | Fc1ccc(CNc2ncnc3c2N=C[N]3)c(Cl)c1 |