aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD36591 | 0.24 | 240.28 | C10H12O3N2S | CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 |
|
AD36592 | -0.26 | 259.28 | C10H13O5NS | COC(=O)c1cccc(S(=O)(=O)NCCO)c1 |
|
AD36593 | -0.08 | 258.3 | C10H14O4N2S | CC(=O)Nc1cccc(S(=O)(=O)NCCO)c1 |
|
AD36594 | 1.24 | 254.08 | C6H5O2NFSBr | NS(=O)(=O)c1ccc(Br)c(F)c1 |
|
AD36595 | 1.4 | 250.12 | C7H8O2NSBr | Cc1cc(S(N)(=O)=O)ccc1Br |
|
AD36596 | 0.15 | 277.69 | C9H8O4N3ClS | O=S(=O)(NCCO)c1ccc(Cl)c2nonc12 |
|
AD36597 | 0.89 | 272.21 | C10H9ON5F3 | OC1(C(F)(F)F)CCN(c2ncnc3c2N=C[N]3)C1 |
|
AD36598 | 0.83 | 285.33 | C14H17ON6 | O=C(C1CCN(c2ncnc3c2N=C[N]3)C1)N1CCCC1 |
|
AD36599 | 0.69 | 273.32 | C13H17ON6 | CC(C)C(=O)N1CCN(c2ncnc3c2N=C[N]3)CC1 |
|
AD36600 | 0.69 | 273.32 | C13H17ON6 | CN(C)C(=O)C1CCCN(c2ncnc3c2N=C[N]3)C1 |