aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD12421 | 2.99 | 212.15 | C9H5N3F3 | FC(F)(F)c1cccc(C2=C[N]N=N2)c1 |
|
AD12422 | 2.06 | 155.63 | C9H10NCl | CNCc1ccccc1Cl |
|
AD12423 | 0.74 | 97.12 | C5H7ON | NCc1ccco1 |
|
AD12424 | 3.95 | 262.35 | C16H22O3 | Cc1cc(O)c(C(=O)CCC2CCCCC2)c(O)c1 |
|
AD12425 | 1.15 | 388.37 | C20H20O8 | COC(C(=O)C(C)=O)C1Cc2cc3cc(O)c(C)c(O)c3c(O)c2C(=O)C1O |
|
AD12426 | 0.74 | 221.02 | C6H11O2N2PCl2 | O=P(O)(NCCCl)NCCCl |
|
AD12427 | 5.15 | 512.64 | C28H28O2N6S | CSCCNC(=O)NCCCNc1nc2ccccc2c2nc3c(ccc4cc(C(C)=O)ccc43)nc12 |
|
AD12428 | 2.61 | 398.12 | C2H10O11P4S2 | COP(=O)(S)OP(=O)(O)OP(=O)(O)OP(=O)(S)OC |
|
AD12429 | 4.66 | 305.79 | C16H12O2NClS | COc1ccc(Cc2ncc(-c3ccoc3)s2)c(Cl)c1 |
|
AD12430 | 1.81 | 394.25 | C14H12O2N5SBr | Nc1nc(OCc2cc(Br)cs2)c2ncn(CC#CCO)c2n1 |