aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD40711 | 0.11 | 292.32 | C12H12O3N4S | CN1Cc2c(C(N)=O)ncn2-c2ccccc2S1(=O)=O |
|
AD40712 | -0.27 | 336.37 | C14H16O4N4S | CN1Cc2c(C(=O)NCCO)ncn2-c2ccccc2S1(=O)=O |
|
AD40713 | 1.37 | 301.33 | C14H11O3N3S | NC(=O)c1cc2cccnc2n1S(=O)(=O)c1ccccc1 |
|
AD40714 | 0.36 | 302.32 | C12H10O2N6S | Cn1nnc2c(C(=O)Nc3ccc(S)cc3)ncn2c1=O |
|
AD40715 | 1.28 | 301.09 | C9H8ON3I | Cn1nc(I)c2cc(C(N)=O)ccc21 |
|
AD40716 | 0.05 | 313.12 | C6H8O2N3SI | Nc1nc(C(=O)NCCO)c(I)s1 |
|
AD40717 | -1.78 | 215.21 | C8H13O4N3 | CC(O)C(CO)Nc1c[nH]c(=O)[nH]c1=O |
|
AD40718 | -1.39 | 212.21 | C8H12O3N4 | CC(=O)NCCNc1c[nH]c(=O)[nH]c1=O |
|
AD40719 | -1.25 | 224.22 | C9H12O3N4 | O=C(CNc1c[nH]c(=O)[nH]c1=O)NC1CC1 |
|
AD40720 | -1.51 | 210.19 | C8H10O3N4 | NC(=O)C1(Nc2c[nH]c(=O)[nH]c2=O)CC1 |