aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD36991 | -0.75 | 262.06 | C7H8O3N3Br | O=C(NCCO)c1nc(Br)c[nH]c1=O |
|
AD36992 | 1.33 | 242.3 | C10H14O3N2S | CC(C)(C)C(=O)OCc1nc(C(N)=O)cs1 |
|
AD36993 | 0.45 | 282.28 | C10H9O2N5FS | COC(=O)CNC(=S)Nc1ncnc2c1C(F)=C[N]2 |
|
AD36994 | 0.52 | 241.27 | C10H11O4NS | COC(=O)C=Cc1cccc(S(N)(=O)=O)c1 |
|
AD36995 | -0.02 | 283.27 | C9H8O2N6FS | COC(=O)CNC(=S)Nc1nc(F)nc2c1N=C[N]2 |
|
AD36996 | 0.05 | 273.31 | C11H15O5NS | COC(=O)c1cccc(C)c1S(=O)(=O)NCCO |
|
AD36997 | -0.55 | 275.28 | C10H13O6NS | COC(=O)c1cc(S(=O)(=O)NCCO)ccc1O |
|
AD36998 | 0.46 | 269.28 | C9H10ON6FS | COCCNC(=S)Nc1nc(F)nc2c1N=C[N]2 |
|
AD36999 | -0.28 | 264.28 | C12H16O3N4 | O=C(NCCO)c1ccc(N2CCCNC2=O)nc1 |
|
AD37000 | 0.93 | 271.71 | C9H8ON6ClS | COCNC(=S)Nc1nc(Cl)nc2c1N=C[N]2 |