aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD27601 | 0.73 | 173.18 | C9H7ON3 | NC(=O)c1cnc2ncccc2c1 |
|
AD27602 | -0.79 | 197.19 | C8H11O3N3 | COc1nccc(C(=O)NCCO)n1 |
|
AD27603 | -0.37 | 169.18 | C7H11O2N3 | COCCn1ccnc1C(N)=O |
|
AD27604 | -1.0 | 197.19 | C8H11O3N3 | O=C(NCCO)c1cc2n(n1)CCO2 |
|
AD27605 | 0.39 | 165.2 | C8H11ON3 | NC(=O)c1nccn1CC1CC1 |
|
AD27606 | 0.53 | 180.21 | C9H12O2N2 | CC(C)n1ccc(C(N)=O)cc1=O |
|
AD27607 | -0.45 | 195.22 | C9H13O2N3 | O=C(NCCO)c1cnn2c1CCC2 |
|
AD27608 | 0.78 | 176.22 | C10H12ON2 | CN1CCc2c(C(N)=O)cccc21 |
|
AD27609 | 0.53 | 180.21 | C9H12O2N2 | CC(C)n1cc(C(N)=O)ccc1=O |
|
AD27610 | 0.73 | 173.18 | C9H7ON3 | NC(=O)c1ccnc2ncccc12 |