aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD42221 | 2.07 | 304.33 | C14H12O4N2S | COc1ccc(C#N)c(S(=O)(=O)Nc2ccc(O)cc2)c1 |
|
AD42222 | -1.21 | 132.18 | C6H14O2N | C=CCOCC(O)C[NH3+] |
|
AD42223 | 0.49 | 144.17 | C7H12O3 | C=C(C)C(=O)OCC(C)O |
|
AD42224 | -0.07 | 142.15 | C7H10O3 | CCC(O)C#CC(=O)OC |
|
AD42225 | 2.34 | 213.21 | C12H8N3F | N#Cc1ccc(-c2ccc(F)cc2)nc1N |
|
AD42226 | 2.32 | 242.31 | C12H10N4S | CSc1nc(-c2ccccc2)nc(N)c1C#N |
|
AD42227 | 2.02 | 224.27 | C13H12N4 | Cc1ccc(C(C#N)c2ccc(N)nn2)cc1 |
|
AD42228 | 2.31 | 239.28 | C14H13ON3 | N#CCc1ccc(OCc2ccc(N)nc2)cc1 |
|
AD42229 | 1.6 | 214.18 | C10H6O2N4 | N#Cc1cc(N)nc2ccc([N+](=O)[O-])cc12 |
|
AD42230 | 2.48 | 221.62 | C11H5N3FCl | N#Cc1c(N)nc2cc(F)ccc2c1Cl |