aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD36421 | 0.93 | 253.28 | C10H11O3N3S | Cn1cnc(S(=O)(=O)Nc2ccc(O)cc2)c1 |
|
AD36422 | -0.93 | 161.19 | C4H7O2N3S | Cn1cnc(S(N)(=O)=O)c1 |
|
AD36423 | -0.39 | 269.26 | C9H9O4N4S | COC(=O)CS(=O)(=O)Nc1ncnc2c1C=C[N]2 |
|
AD36424 | -0.27 | 158.18 | C5H6O2N2S | NS(=O)(=O)c1ccccn1 |
|
AD36425 | 0.94 | 272.7 | C9H7O2N5ClS | O=S(=O)(Nc1nc(Cl)nc2c1N=C[N]2)C1CC1 |
|
AD36426 | -0.27 | 158.18 | C5H6O2N2S | NS(=O)(=O)c1cccnc1 |
|
AD36427 | -0.21 | 285.35 | C11H17O3N4S | NC(=O)C1=C(NS(=O)(=O)CC2CCCCC2)[N]C=N1 |
|
AD36428 | 0.93 | 253.28 | C10H11O3N3S | Cn1cc(S(=O)(=O)Nc2ccc(O)cc2)cn1 |
|
AD36429 | -0.46 | 271.32 | C10H15O3N4S | NC(=O)C1=C(NS(=O)(=O)C2CCCCC2)[N]C=N1 |
|
AD36430 | -1.61 | 273.29 | C9H13O4N4S | NC(=O)C1=C(NS(=O)(=O)C2CCOCC2)[N]C=N1 |