aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD29351 | -0.39 | 217.19 | C9H7O2N5 | CC#CC(=O)Nc1ncnc2[nH]c(=O)[nH]c12 |
|
AD29352 | 0.84 | 200.22 | C10H10N5 | C#CC(C)N(C)c1ncnc2c1N=C[N]2 |
|
AD29353 | -1.67 | 199.27 | C10H19O2N2 | C=C(C[NH+]1CCCC1)C(=O)NCCO |
|
AD29354 | -0.69 | 195.29 | C11H19ON2 | C=CCCC[NH+]1CC2(CN(C=O)C2)C1 |
|
AD29355 | -1.24 | 193.27 | C11H17ON2 | C#CCCC[NH+]1CC2(CN(C=O)C2)C1 |
|
AD29356 | 0.95 | 166.27 | C9H12NS | [NH3+]C1CSc2ccccc2C1 |
|
AD29357 | 1.38 | 201.23 | C11H11ON3 | O=c1nc(NCc2ccccc2)cc[nH]1 |
|
AD29358 | 1.42 | 215.26 | C12H13ON3 | O=c1nc(NCCc2ccccc2)cc[nH]1 |
|
AD29359 | 1.41 | 215.26 | C12H13ON3 | CN(Cc1ccccc1)c1cc[nH]c(=O)n1 |
|
AD29360 | 1.64 | 170.25 | C10H18O2 | CC(C)=CCC(O)C(C)=CCO |