aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD41251 | 0.12 | 330.35 | C14H12O3N5S | Cc1ccc(S(=O)(=O)NC2=C(C(N)=O)N=C[N]2)c2ccncc12 |
|
AD41252 | 1.02 | 342.36 | C15H12O3N5S | CN1C(=O)Cc2cc(S(=O)(=O)Nc3ncnc4c3C=C[N]4)ccc21 |
|
AD41253 | 0.12 | 330.35 | C14H12O3N5S | Cc1ccc2cccnc2c1S(=O)(=O)NC1=C(C(N)=O)N=C[N]1 |
|
AD41254 | 1.28 | 331.33 | C14H11O4N4S | COC(=O)c1ccc(S(=O)(=O)Nc2ncnc3c2C=C[N]3)cc1 |
|
AD41255 | 0.57 | 334.16 | C12H7O3N4Cl2S | NC(=O)C1=C(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)[N]C=N1 |
|
AD41256 | 0.17 | 362.16 | C10H7O3N4FSBr | NC(=O)C1=C(NS(=O)(=O)c2ccc(Br)cc2F)[N]C=N1 |
|
AD41257 | 0.57 | 334.16 | C12H7O3N4Cl2S | NC(=O)C1=C(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)[N]C=N1 |
|
AD41258 | 1.6 | 341.33 | C15H9O4N4S | O=c1ccc2cc(S(=O)(=O)Nc3ncnc4c3C=C[N]4)ccc2o1 |
|
AD41259 | 0.34 | 358.2 | C11H10O3N4SBr | Cc1cc(Br)ccc1S(=O)(=O)NC1=C(C(N)=O)N=C[N]1 |
|
AD41260 | 0.63 | 340.19 | C10H5O3N4Cl2S2 | NC(=O)C1=C(NS(=O)(=O)c2cc(Cl)sc2Cl)[N]C=N1 |