aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD16371 | 3.33 | 322.98 | C11H6ON3Cl2Br | NC(=NO)c1c(Br)[nH]c2cc(Cl)c(Cl)cc12 |
|
AD16372 | 4.37 | 482.34 | C21H14O3N4SBr | O=C(O)C1CSc2c(C3=C[N]N=N3)c(Cc3cccc4ccccc34)c(Br)c(=O)n21 |
|
AD16373 | 0.82 | 189.22 | C10H11ON3 | OCc1cn(Cc2ccccc2)nn1 |
|
AD16374 | 1.72 | 234.21 | C12H10O5 | CC(=O)c1c(O)c2ccc(O)c(C)c2oc1=O |
|
AD16375 | 0.32 | 178.15 | C8H6O3N2 | O=c1[nH]cc(-c2ccco2)c(=O)[nH]1 |
|
AD16376 | -0.93 | 105.09 | C3H7O3N | NC(=O)OCCO |
|
AD16377 | 3.56 | 509.94 | C25H28O9NCl | CC(C)(C)C(=O)OCOC(=O)c1cn(C2CC2)c2cc(Cl)c(OCCOCCC(=O)O)cc2c1=O |
|
AD16378 | 2.8 | 402.45 | C21H26O6N2 | CC(C)OC(=O)c1cn(C2CC2)c2ccc(NCCOCCC(=O)O)cc2c1=O |
|
AD16379 | 0.61 | 259.24 | C12H10ON5F | Nc1nc2c(c(=O)[nH]1)[N+](Cc1ccccc1F)=C[N]2 |
|
AD16380 | 0.78 | 255.28 | C13H13ON5 | Cc1cccc(C[N+]2=C[N]c3nc(N)[nH]c(=O)c32)c1 |