aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD31551 | 0.12 | 211.25 | C8H9O2N3S | O=C(NCCO)c1cnc2sccn12 |
|
AD31552 | 1.09 | 195.61 | C9H6ON3Cl | NC(=O)c1cc2ccc(Cl)n2cn1 |
|
AD31553 | -0.8 | 211.22 | C9H13O3N3 | O=C(NCCO)c1[nH]nc2c1COCC2 |
|
AD31554 | -1.15 | 207.19 | C8H9O2N5 | O=C(NCCO)c1nnc2cnccn12 |
|
AD31555 | 1.38 | 207.62 | C10H6ON3Cl | NC(=O)c1nc2ccccc2nc1Cl |
|
AD31556 | -0.55 | 206.21 | C9H10O2N4 | O=C(NCCO)c1cn2cnccc2n1 |
|
AD31557 | 1.43 | 212.68 | C11H13ON2Cl | CN(C)C(C(N)=O)c1ccccc1Cl |
|
AD31558 | 0.79 | 210.62 | C9H7ON4Cl | Cc1nc2ccc(Cl)nn2c1C(N)=O |
|
AD31559 | 1.53 | 196.21 | C8H5ON2FS | NC(=O)c1nc2c(F)cccc2s1 |
|
AD31560 | -0.55 | 197.22 | C7H7O2N3S | NC(=O)c1cnc2n(c1=O)CCS2 |