aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD31151 | 0.82 | 232.27 | C11H14ON5 | OCC(CNc1ncnc2c1N=C[N]2)C1CC1 |
|
AD31152 | 1.3 | 205.67 | C8H8O2NClS | Cc1cccc(Cl)c1S(N)(=O)=O |
|
AD31153 | 0.08 | 219.19 | C8H11O2N3F2 | Cn1ncc(C(=O)NCCO)c1C(F)F |
|
AD31154 | 0.69 | 221.27 | C8H9N6S | CCNC(=S)Nc1ncnc2c1N=C[N]2 |
|
AD31155 | 0.83 | 239.26 | C8H8N6FS | CCNC(=S)Nc1nc(F)nc2c1N=C[N]2 |
|
AD31156 | -1.1 | 209.2 | C9H11O3N3 | NC(=O)c1ccncc1C(=O)NCCO |
|
AD31157 | 1.49 | 191.02 | C8H4ON2Cl2 | NC(=O)c1nccc(Cl)c1Cl |
|
AD31158 | -0.99 | 206.27 | C7H14O3N2S | CCOC(=O)CNC(=S)NCCO |
|
AD31159 | 0.78 | 188.13 | C7H6O2N2F2 | NC(=O)c1cccnc1OC(F)F |
|
AD31160 | -0.26 | 188.21 | C6H8O3N2S | COc1ccc(S(N)(=O)=O)cn1 |