aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD35181 | -0.66 | 244.3 | C12H16N6 | C#CC[NH+](C)CCCNc1ncnc2c1N=C[N]2 |
|
AD35182 | 0.43 | 235.31 | C13H19O2N2 | COc1ccc(CN2CCC([NH3+])CC2=O)cc1 |
|
AD35183 | 0.35 | 250.26 | C9H8O2N5S | CC(C#N)S(=O)(=O)Nc1ncnc2c1C=C[N]2 |
|
AD35184 | -1.88 | 242.24 | C7H8O3N5S | CC(C#N)S(=O)(=O)NC1=C(C(N)=O)N=C[N]1 |
|
AD35185 | 0.24 | 134.14 | C6H6N4 | Cc1cnc(N)c(C#N)n1 |
|
AD35186 | 0.24 | 134.14 | C6H6N4 | Cc1nc(C#N)cnc1N |
|
AD35187 | 0.82 | 249.26 | C13H9N6 | C#Cc1ccc(-n2c(N)c3c(nc2=N)[N]C=N3)cc1 |
|
AD35188 | 0.94 | 260.28 | C12H14O2N5 | C=CCN(CC(=O)OCC)c1ncnc2c1N=C[N]2 |
|
AD35189 | -0.19 | 237.27 | C8H9ON6S | N=c1nc2c(c(N)n1C(=O)CCS)N=C[N]2 |
|
AD35190 | 0.77 | 207.28 | C11H17ON3 | C=CCOCc1nn(C)c2c1CNCC2 |