aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD34631 | 0.25 | 231.05 | C7H7O2N2Br | Cn1cc(Br)cc(C(N)=O)c1=O |
|
AD34632 | 1.19 | 222.27 | C10H10O2N2S | Cc1cnc2c(S(N)(=O)=O)cccc2c1 |
|
AD34633 | 0.65 | 216.04 | C6H6ON3Br | Cc1ncc(Br)c(C(N)=O)n1 |
|
AD34634 | 0.51 | 229.26 | C9H11O4NS | CCOC(=O)c1ccc(S(N)(=O)=O)cc1 |
|
AD34635 | 0.52 | 261.31 | C12H17ON6 | CC1COCCN1CCNc1ncnc2c1N=C[N]2 |
|
AD34636 | 1.47 | 229.3 | C10H15O3NS | COc1ccc(C(C)C)cc1S(N)(=O)=O |
|
AD34637 | 1.4 | 217.23 | C11H11O2N3 | CCc1nc(-c2cccc(C(N)=O)c2)no1 |
|
AD34638 | 0.58 | 231.26 | C12H13O2N3 | Cc1c(C(N)=O)c(=O)n(-c2ccccc2)n1C |
|
AD34639 | 0.78 | 248.27 | C11H14O2N5 | CCN(CCC(=O)OC)c1ncnc2c1N=C[N]2 |
|
AD34640 | 0.73 | 262.29 | C12H16O2N5 | CCOC1CC(O)(CNc2ncnc3c2N=C[N]3)C1 |