aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD05301 | -0.31 | 149.13 | C6H5ON4 | CC#CC1=C(C(N)=O)N=N[N]1 |
|
AD05302 | 6.84 | 512.69 | C31H44O6 | CCC(C)C(O)CCCCCCCC=CC=CCCc1cc(O)cc(O)c1Cc1c(O)cc(C)oc1=O |
|
AD05303 | -0.26 | 141.17 | C6H11ON3 | Cn1cc(CCCO)nn1 |
|
AD05304 | 2.73 | 223.05 | C8H5N3Br | Brc1ccc(C2=C[N]N=N2)cc1 |
|
AD05305 | 5.01 | 534.78 | C32H54O6 | CC(=O)OC1CCC2(C)C(CC(O)C3(C)C4=CCC(C(C)CC(O)C(O)C(C)(C)O)C4(C)CCC23)C1(C)C |
|
AD05306 | 0.11 | 145.25 | C6H13N2S | C[S+](C)CCC(N)C#N |
|
AD05307 | 1.49 | 317.41 | C11H11O4NS3 | CNS(=O)(=O)c1cc(S(=O)(=O)c2ccccc2)cs1 |
|
AD05308 | 1.23 | 190.23 | C9H12N5 | CCN(CC)c1ncnc2c1N=C[N]2 |
|
AD05309 | 2.99 | 556.7 | C31H44O7N2 | COC1C(O)CC(=O)OC(CC=Cc2cncc3ccccc23)CCCN(C)CC(O)C(C)CC(CC=O)C1O |
|
AD05310 | 2.33 | 231.19 | C11H5N4F2 | Fc1ccc(-c2ncnc3c2N=C[N]3)cc1F |