aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD44311 | 0.98 | 179.24 | C10H15ON2 | CCN(CC)C(=O)c1ccc[nH+]c1 |
|
AD44312 | 1.63 | 297.33 | C17H17O3N2 | CN1C(=O)C(OC(=O)c2ccccc2)CC1c1ccc[nH+]c1 |
|
AD44313 | 1.25 | 197.22 | C7H7O2N3S | NC(=S)Nc1cccc([N+](=O)[O-])c1 |
|
AD44314 | 0.79 | 198.14 | C6H6O4N4 | NNc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1 |
|
AD44315 | 1.95 | 423.14 | C9H16O12NP3 | COP(=O)(OC(C)c1ccccc1[N+](=O)[O-])O[PH](O)(O)OP(=O)(O)O |
|
AD44316 | 2.68 | 409.43 | C19H15O4N5S | Cc1cc2nc3c(=O)n(Sc4ccc([N+](=O)[O-])cc4)c(=O)nc-3n(C)c2cc1C |
|
AD44317 | 1.25 | 197.22 | C7H7O2N3S | NC(=S)Nc1ccccc1[N+](=O)[O-] |
|
AD44318 | 1.09 | 181.15 | C7H7O3N3 | NC(=O)Nc1cccc([N+](=O)[O-])c1 |
|
AD44319 | 2.41 | 403.38 | C19H15O3N8 | Nc1ncnc2c1N=C(NN=Cc1ccccc1OCc1ccc([N+](=O)[O-])cc1)[N]2 |
|
AD44320 | 2.81 | 346.47 | C21H30O4 | CC12CCC(=O)C=C1CCC1C2CCC2(C)C1CCC2(O)C(=O)CO |