aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD42411 | -0.48 | 125.16 | C5H9N4 | CNc1cc[nH+]c(N)n1 |
|
AD42412 | -0.04 | 135.15 | C6H7N4 | Nc1nc2[nH]ccc2c[nH+]1 |
|
AD42413 | 0.3 | 165.22 | C8H13N4 | Nc1nc(NCC2CC2)cc[nH+]1 |
|
AD42414 | -0.11 | 152.18 | C7H10ON3 | Nc1ccc2c([nH+]1)NCCO2 |
|
AD42415 | 0.41 | 336.4 | C18H20ON6 | C[NH+]1CCN(C(=O)c2cccc(Nc3ncnc4c3C=C[N]4)c2)CC1 |
|
AD42416 | 1.69 | 328.46 | C18H22ON3S | C[NH+]1CCN(C(=O)c2cccc(Nc3ccc(S)cc3)c2)CC1 |
|
AD42417 | 0.1 | 337.39 | C17H19ON7 | C[NH+]1CCN(C(=O)c2cccc(Nc3ncnc4c3N=C[N]4)c2)CC1 |
|
AD42418 | -0.57 | 326.1 | C9H7N6I | IC1=C[N]c2ncnc([NH+]=c3[nH]cc[nH]3)c21 |
|
AD42419 | 0.3 | 153.21 | C7H13N4 | CC(C)Nc1cc[nH+]c(N)n1 |
|
AD42420 | 0.3 | 153.21 | C7H13N4 | CCCNc1cc[nH+]c(N)n1 |