aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD36931 | 0.7 | 259.28 | C10H13O5NS | COC(=O)CCS(=O)(=O)Nc1ccc(O)cc1 |
|
AD36932 | -0.43 | 243.29 | C9H13O3N3S | NS(=O)(=O)c1ccc(N2CCOCC2)nc1 |
|
AD36933 | 0.12 | 251.03 | C5H6ON3I | Cn1ncc(I)c1C(N)=O |
|
AD36934 | 1.06 | 248.1 | C6H6ON3SBr | CSc1ncc(Br)c(C(N)=O)n1 |
|
AD36935 | 1.51 | 246.31 | C14H18O2N2 | CC(=O)N1CCC(c2ccc(C(N)=O)cc2)CC1 |
|
AD36936 | 1.52 | 250.28 | C11H10O3N2S | NS(=O)(=O)c1ccc(Oc2cccnc2)cc1 |
|
AD36937 | 0.65 | 245.29 | C12H15ON5 | CN(C)c1ncc(-c2cc(C(N)=O)n(C)c2)cn1 |
|
AD36938 | 1.2 | 284.35 | C9H10O2N5S2 | O=S(=O)(CC1CC1)Nc1[nH]c(=S)nc2c1N=C[N]2 |
|
AD36939 | 1.55 | 256.25 | C12H14O2N2F2 | CCN(CC)C(=O)c1c(F)ccc(F)c1C(N)=O |
|
AD36940 | 1.32 | 261.31 | C12H11O2N3S | Cn1nc(C(=O)Nc2ccc(S)cc2)ccc1=O |