aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD31601 | 0.48 | 196.6 | C8H5ON4Cl | NC(=O)c1nnc2cccc(Cl)n12 |
|
AD31602 | -0.55 | 206.21 | C9H10O2N4 | O=C(NCCO)c1cnc2nccn2c1 |
|
AD31603 | -0.16 | 192.18 | C8H8O2N4 | COc1cccn2c(C(N)=O)nnc12 |
|
AD31604 | -0.55 | 206.21 | C9H10O2N4 | O=C(NCCO)c1cccc2nncn12 |
|
AD31605 | 0.39 | 190.21 | C9H10ON4 | CCc1nnc2c(C(N)=O)cccn12 |
|
AD31606 | 0.44 | 191.19 | C9H9O2N3 | COc1cccc2nc(C(N)=O)cn12 |
|
AD31607 | -0.32 | 206.21 | C9H10O2N4 | O=C(NCCO)c1nccc2c[nH]nc12 |
|
AD31608 | 0.94 | 192.17 | C9H8O3N2 | COc1ccc2onc(C(N)=O)c2c1 |
|
AD31609 | 0.95 | 193.2 | C10H11O3N | NC(=O)c1cccc2c1OCCCO2 |
|
AD31610 | 0.12 | 211.25 | C8H9O2N3S | O=C(NCCO)c1cn2ccnc2s1 |