aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD42421 | -0.2 | 166.2 | C8H12ON3 | Cc1cc(C)c(C(N)=O)c(N)[nH+]1 |
|
AD42422 | 0.27 | 149.18 | C7H9N4 | Cc1cc2c[nH+]c(N)nc2[nH]1 |
|
AD42423 | -0.46 | 124.17 | C6H10N3 | NCc1cc(N)cc[nH+]1 |
|
AD42424 | 0.44 | 150.21 | C8H12N3 | Nc1c[nH+]c2c(c1)CCCN2 |
|
AD42425 | 0.9 | 323.4 | C18H21ON5 | C1=Cc2c(ncnc2Nc2ccc(CC[NH+]3CCOCC3)cc2)[N]1 |
|
AD42426 | 1.6 | 352.14 | C11H9N6I | Nc1[nH+]cccc1Nc1ncnc2c1C(I)=C[N]2 |
|
AD42427 | -0.01 | 326.42 | C19H24O2N3 | O=C(NCCO)C1C[NH+](Cc2ccccn2)CC1c1ccccc1 |
|
AD42428 | 0.16 | 339.42 | C20H23O3N2 | O=C(NCCO)C12C[NH+](Cc3ccccc3)CC(O1)c1ccccc12 |
|
AD42429 | 1.4 | 329.45 | C18H21O2N2S | O=C(Nc1ccc(S)cc1)C1C[NH+](Cc2ccccc2)CCO1 |
|
AD42430 | 0.47 | 327.4 | C17H25O2N2F2 | CC(C)(C)[NH+]1CC(C(=O)NCCO)C(c2ccc(F)cc2F)C1 |