aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD21461 | 1.23 | 328.27 | C10H11O5N2F3S | CN(CCO)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] |
|
AD21462 | 3.62 | 370.51 | C18H30O4N2S | COS(=O)(=O)NC(=O)CCCCCCCCCCNc1ccccc1 |
|
AD21463 | 3.74 | 269.73 | C17H12ONCl | N#Cc1ccc(Cc2ccc3c(c2Cl)OCC3)cc1 |
|
AD21464 | 0.29 | 228.03 | C6H4ON4Br | Nc1nc2c(c(=O)[nH]1)C(Br)=C[N]2 |
|
AD21465 | 2.05 | 210.64 | C10H9ON3Cl | CC(C)Oc1ncnc2c1C(Cl)=C[N]2 |
|
AD21466 | 1.43 | 227.04 | C7H5ON3Br | COc1ncnc2c1C(Br)=C[N]2 |
|
AD21467 | -0.16 | 313.37 | C11H23O7NS | CCCCOCCOCCOCC(=O)NS(=O)(=O)OC |
|
AD21468 | 2.3 | 277.39 | C12H23O4NS | C=CCCCCCCCCC(=O)NS(=O)(=O)OC |
|
AD21469 | 3.08 | 251.37 | C14H25ON3 | C=CCCCCCCCCCn1cc(CO)nn1 |
|
AD21470 | 3.73 | 265.4 | C15H27ON3 | C=CCCCCCCCCCn1cc(COC)nn1 |