aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD41391 | 1.99 | 216.21 | C12H9ON2F | NC(=O)c1cc(-c2ccccc2)cnc1F |
|
AD41392 | 0.17 | 362.16 | C10H7O3N4FSBr | NC(=O)C1=C(NS(=O)(=O)c2c(F)cccc2Br)[N]C=N1 |
|
AD41393 | 0.71 | 352.15 | C12H6O3N4FCl2S | NC(=O)C1=C(NS(=O)(=O)c2cc(Cl)c(Cl)cc2F)[N]C=N1 |
|
AD41394 | 0.17 | 362.16 | C10H7O3N4FSBr | NC(=O)C1=C(NS(=O)(=O)c2cccc(F)c2Br)[N]C=N1 |
|
AD41395 | 0.81 | 335.41 | C15H19O3N4S | Cc1c(C)c(C)c(S(=O)(=O)NC2=C(C(N)=O)N=C[N]2)c(C)c1C |
|
AD41396 | 1.88 | 227.33 | C11H17O2NS | Cc1c(C)c(C)c(S(N)(=O)=O)c(C)c1C |
|
AD41397 | 0.08 | 298.3 | C10H12O4N5S | COC(=O)CCCS(=O)(=O)Nc1ncnc2c1N=C[N]2 |
|
AD41398 | 1.6 | 330.11 | C9H9ON5I | CCNC(=O)Nc1ncnc2c1C(I)=C[N]2 |
|
AD41399 | 1.13 | 331.1 | C8H8ON6I | CCNC(=O)Nc1nc(I)nc2c1N=C[N]2 |
|
AD41400 | -0.23 | 233.23 | C10H11O2N5 | Cc1ncc(CNc2c[nH]c(=O)[nH]c2=O)cn1 |