aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD40801 | 1.66 | 298.38 | C15H26O4N2 | COC(=O)C1CC2CC(N)CC(C1)N2C(=O)OC(C)(C)C |
|
AD40802 | -1.76 | 130.17 | C6H12O2N | C#CCOCC(O)C[NH3+] |
|
AD40803 | -0.46 | 128.13 | C6H8O3 | C#CC(O)C(=O)OCC |
|
AD40804 | -0.21 | 324.73 | C12H7O3N5ClS | N#Cc1ccc(Cl)c(S(=O)(=O)NC2=C(C(N)=O)N=C[N]2)c1 |
|
AD40805 | 0.72 | 362.13 | C8H5O2N5SI | N#CCS(=O)(=O)Nc1ncnc2c1C(I)=C[N]2 |
|
AD40806 | -0.21 | 324.73 | C12H7O3N5ClS | N#Cc1ccc(Cl)cc1S(=O)(=O)NC1=C(C(N)=O)N=C[N]1 |
|
AD40807 | -0.21 | 324.73 | C12H7O3N5ClS | N#Cc1ccc(S(=O)(=O)NC2=C(C(N)=O)N=C[N]2)c(Cl)c1 |
|
AD40808 | 0.92 | 364.15 | C8H7O2N5SI | C=CCS(=O)(=O)Nc1nc(I)nc2c1N=C[N]2 |
|
AD40809 | -2.15 | 209.16 | C7H7O3N5 | N#CC(Nc1c[nH]c(=O)[nH]c1=O)C(N)=O |
|
AD40810 | 0.28 | 287.32 | C15H17O3N3 | N#Cc1ccc(N2CC3(CNCCOC3)OCC2=O)cc1 |