aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD40311 | 1.58 | 312.18 | C9H8N6SBr | C=CCNC(=S)Nc1ncnc2c1N=C(Br)[N]2 |
|
AD40312 | 1.84 | 297.09 | C9H7O2N5Br | C=CCOC(=O)Nc1ncnc2c1N=C(Br)[N]2 |
|
AD40313 | 1.58 | 304.34 | C16H14N7 | N#Cc1ccccc1N1CCN(c2ncnc3c2N=C[N]3)CC1 |
|
AD40314 | 1.91 | 307.34 | C16H15ON6 | CN(CCOCc1ccc(C#N)cc1)c1ncnc2c1N=C[N]2 |
|
AD40315 | 1.42 | 296.11 | C9H8ON6Br | C=CCNC(=O)Nc1ncnc2c1N=C(Br)[N]2 |
|
AD40316 | -0.16 | 100.12 | C4H8ON2 | C=CCNC(N)=O |
|
AD40317 | 1.25 | 247.31 | C10H11N6S | C=CCCNC(=S)Nc1ncnc2c1N=C[N]2 |
|
AD40318 | 1.64 | 261.33 | C11H13N6S | C=CCCCNC(=S)Nc1ncnc2c1N=C[N]2 |
|
AD40319 | 1.46 | 297.14 | C10H11ON5Br | C=CC(C)(O)CNc1ncnc2c1N=C(Br)[N]2 |
|
AD40320 | 1.85 | 311.16 | C11H13ON5Br | C=CCCC(O)CNc1ncnc2c1N=C(Br)[N]2 |