aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD21171 | 1.56 | 432.57 | C15H22O4N5S3 | C=CS(=O)(=O)CCCCCCS(=O)(=O)CCSC1=Nc2c(N)ncnc2[N]1 |
|
AD21172 | 4.25 | 330.41 | C18H24O3N3 | CCOC(=O)CCCCCCCOc1ccc(C2=C[N]N=N2)cc1 |
|
AD21173 | 3.53 | 606.58 | C29H24O5N11 | O=C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3N=C[N]4)cc2)cc1)NCCNc1ccc([N+](=O)[O-])c2nonc12 |
|
AD21174 | 2.03 | 264.27 | C14H10ON5 | Nc1nc(N)c2c(n1)[N]C=C2c1cc2ccccc2o1 |
|
AD21175 | 0.25 | 73.05 | CH3ON3 | [N-]=[N+]=NCO |
|
AD21176 | 2.77 | 291.72 | C14H11N5FCl | Cn1cnc2c(NCc3cccc(F)c3)nc(Cl)nc21 |
|
AD21177 | -0.13 | 289.33 | C15H19O3N3 | CN(CC#Cc1cccc(C(N)=O)c1)CCC(N)C(=O)O |
|
AD21178 | 4.06 | 236.08 | C13H5N2Cl2 | Clc1cc2cc3c(cc2cc1Cl)N=C[N]3 |
|
AD21179 | 1.88 | 398.5 | C21H34O7 | CC1=CCC(O)C2(C)C(OC(=O)CC(C)(O)CC(=O)O)CC(C(C)C)C(O)C12 |
|
AD21180 | 4.37 | 262.76 | C15H11OClS | Clc1ccccc1Cc1ccc2c(c1)SCO2 |