aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD38791 | 1.25 | 274.31 | C12H10O2N4S | Nc1ncc2ccn(S(=O)(=O)c3ccccc3)c2n1 |
|
AD38792 | 1.25 | 274.3 | C12H10O2N4S | Nc1ncnc2c1ccn2S(=O)(=O)c1ccccc1 |
|
AD38793 | -2.04 | 184.15 | C6H8O3N4 | NC(=O)CNc1c[nH]c(=O)[nH]c1=O |
|
AD38794 | -0.28 | 208.28 | C11H18ON3 | Nc1cccc(OCC[NH+]2CCCC2)n1 |
|
AD38795 | -0.35 | 308.34 | C12H14O3N5S | CN(C)S(=O)(=O)c1cccc(NC2=C(C(N)=O)N=C[N]2)c1 |
|
AD38796 | -1.54 | 268.3 | C9H12O2N6S | O=S(=O)(Nc1ncnc2c1N=C[N]2)C1CC[NH2+]C1 |
|
AD38797 | -1.17 | 100.12 | C4H8ON2 | NC1CNC(=O)C1 |
|
AD38798 | 0.44 | 297.39 | C10H13ON6S2 | CS(=O)CCCNC(=S)Nc1ncnc2c1N=C[N]2 |
|
AD38799 | 0.58 | 315.38 | C10H12ON6FS2 | CS(=O)CCCNC(=S)Nc1nc(F)nc2c1N=C[N]2 |
|
AD38800 | 0.83 | 311.42 | C11H15ON6S2 | CS(=O)CCCCNC(=S)Nc1ncnc2c1N=C[N]2 |