aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD36811 | 0.89 | 254.29 | C11H18O3N4 | CN(C(=O)OC(C)(C)C)c1cc(C(N)=O)n(C)n1 |
|
AD36812 | -0.29 | 278.72 | C10H11O4N2ClS | NS(=O)(=O)c1cc(C(=O)NCCO)ccc1Cl |
|
AD36813 | -0.16 | 260.25 | C13H12O4N2 | O=C(NCCO)c1ccc(N2C(=O)C=CC2=O)cc1 |
|
AD36814 | 1.2 | 240.06 | C8H6ON3Br | NC(=O)c1ncc2cc(Br)ccn12 |
|
AD36815 | -0.2 | 279.3 | C11H11O3N4S | CS(=O)(=O)c1ccc(NC2=C(C(N)=O)N=C[N]2)cc1 |
|
AD36816 | -0.2 | 279.3 | C11H11O3N4S | CS(=O)(=O)c1ccccc1NC1=C(C(N)=O)N=C[N]1 |
|
AD36817 | -0.2 | 279.3 | C11H11O3N4S | CS(=O)(=O)c1cccc(NC2=C(C(N)=O)N=C[N]2)c1 |
|
AD36818 | 0.73 | 259.04 | C7H4ON4FBr | NC(=O)c1nc2c(Br)cc(F)cn2n1 |
|
AD36819 | 0.72 | 246.27 | C12H14O2N4 | NC(=O)c1ccc2nc(C3CCOCC3)nn2c1 |
|
AD36820 | 0.97 | 245.28 | C13H15O2N3 | COc1ccc(Cn2cc(CC(N)=O)cn2)cc1 |