aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD37031 | -1.36 | 259.33 | C12H23O4N2 | [NH3+]C(C(=O)NCCO)C1CCC2(CC1)OCCO2 |
|
AD37032 | -1.75 | 257.34 | C10H17O2N4S | O=C(NCCO)c1csc(N2CC[NH2+]CC2)n1 |
|
AD37033 | -2.19 | 256.33 | C12H22O3N3 | O=C(NCCO)C1CCCN1C(=O)C1CCC[NH2+]1 |
|
AD37034 | -0.73 | 242.39 | C13H28ON3 | C(CNCC1CC[NH2+]CC1)CN1CCOCC1 |
|
AD37035 | -0.53 | 290.37 | C14H22ON6 | CC1CC[NH+](CC(O)CNc2ncnc3c2N=C[N]3)CC1 |
|
AD37036 | 0.18 | 166.23 | C8H14N4 | CC1(C2=C[N]N=N2)CC[NH2+]CC1 |
|
AD37037 | -0.99 | 124.15 | C5H8N4 | C1=C(C2C[NH2+]C2)N=N[N]1 |
|
AD37038 | -1.11 | 211.29 | C10H19ON4 | CC1(c2cn(CCO)nn2)CC[NH2+]CC1 |
|
AD37039 | -0.16 | 126.16 | C5H10N4 | [NH3+]CCCC1=C[N]N=N1 |
|
AD37040 | -1.77 | 291.35 | C14H21O2N5 | NC(=O)C1=C(NC2=CCC([NH+]3CCOCC3)CC2)[N]C=N1 |