aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD39101 | 1.9 | 314.76 | C10H5O2N5ClS2 | O=S(=O)(Nc1nc(Cl)nc2c1N=C[N]2)c1ccsc1 |
|
AD39102 | 0.23 | 313.75 | C12H10O3N4ClS | Cc1cc(S(=O)(=O)NC2=C(C(N)=O)N=C[N]2)ccc1Cl |
|
AD39103 | 1.55 | 308.73 | C12H7O2N5ClS | O=S(=O)(Nc1ncnc2c1C=C[N]2)c1ccc(Cl)nc1 |
|
AD39104 | 1.81 | 207.25 | C12H14ONF | NC(=O)CC1CCc2cc(F)ccc2C1 |
|
AD39105 | 0.83 | 285.31 | C12H9ON6S | N=c1nc2c(c(N)n1C(=O)c1cccc(S)c1)N=C[N]2 |
|
AD39106 | 2.11 | 203.16 | C9H8ONF3 | Cc1ccc(C(F)(F)F)cc1C(N)=O |
|
AD39107 | 1.6 | 202.21 | C11H10O2N2 | COC(=O)c1ccc2c(N)nccc2c1 |
|
AD39108 | 2.24 | 200.24 | C12H12ON2 | Nc1cccc(OCc2ccccc2)n1 |
|
AD39109 | 1.85 | 187.2 | C10H9ON3 | Nc1nccc(Oc2ccccc2)n1 |
|
AD39110 | 1.6 | 202.21 | C11H10O2N2 | COC(=O)c1ccc2nc(N)ccc2c1 |