aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD41361 | 0.2 | 337.38 | C14H17O4N4S | COc1cc(C)c(S(=O)(=O)NC2=C(C(N)=O)N=C[N]2)c(C)c1C |
|
AD41362 | 0.54 | 337.2 | C10H13O4N2SBr | CS(=O)(=O)Nc1ccc(Br)cc1C(=O)NCCO |
|
AD41363 | 0.17 | 362.16 | C10H7O3N4FSBr | NC(=O)C1=C(NS(=O)(=O)c2cc(Br)ccc2F)[N]C=N1 |
|
AD41364 | 2.5 | 232.67 | C13H9ON2Cl | NC(=O)c1ccc(-c2ccccn2)cc1Cl |
|
AD41365 | 1.76 | 322.34 | C14H14O5N2S | CCOC(=O)c1ccncc1S(=O)(=O)Nc1ccc(O)cc1 |
|
AD41366 | 2.73 | 233.22 | C13H9ONF2 | NC(=O)c1ccc(-c2ccc(F)cc2F)cc1 |
|
AD41367 | 2.14 | 225.46 | C9H3ON2Cl3 | NC(=O)c1c(Cl)cc(Cl)nc1Cl |
|
AD41368 | 1.92 | 220.09 | C6H6ONSBr | Cc1sc(Br)cc1C(N)=O |
|
AD41369 | 2.67 | 242.12 | C10H12ONBr | CC(C)c1cc(Br)cc(C(N)=O)c1 |
|
AD41370 | 0.42 | 324.15 | C9H10O5NSBr | O=C(O)c1ccc(Br)c(S(=O)(=O)NCCO)c1 |