aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD08321 | 0.07 | 272.3 | C11H14N9 | CNc1nc(-n2cc(CN(C)C)nn2)nc2c1N=C[N]2 |
|
AD08322 | 0.19 | 110.54 | C4H7O2Cl | OCOCCCl |
|
AD08323 | 0.87 | 187.28 | C10H21O2N | OCCCCCCN1CCOCC1 |
|
AD08324 | 1.61 | 211.04 | C7H5N3Br | Nc1ccnc2c1C(Br)=C[N]2 |
|
AD08325 | 2.06 | 243.03 | C7H4N2I | IC1=C[N]c2ncccc21 |
|
AD08326 | 2.37 | 345.4 | C19H23O5N | O=C(O)c1cn(C2CC2)c2ccc(CCCOCCCO)cc2c1=O |
|
AD08327 | 1.47 | 145.23 | C6H11ONS | COC(S)=NC1CCC1 |
|
AD08328 | 1.42 | 331.15 | C13H9ON5Br | NC(=O)C1=C(c2cccc(Br)c2)[N]c2ncnc(N)c21 |
|
AD08329 | 1.65 | 387.45 | C17H25O7NS | COc1c(O)c(C)c(C)c(C(=O)SC2C(O)CC(ON)OC2C)c1OC |
|
AD08330 | 2.76 | 360.45 | C21H28O5 | CC1OC(=O)C2(C)C1CCC21OC(=O)C2C1CC=C1CC(O)CCC12C |