aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD16661 | -0.45 | 201.17 | C7H5N8 | Nc1nc(-n2ccnn2)nc2c1N=C[N]2 |
|
AD16662 | 6.82 | 446.91 | C27H20O2N2FCl | CCC(=C(c1ccc(C=CC(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl |
|
AD16663 | 3.43 | 316.35 | C18H20O5 | CCOc1ccc(C(=O)c2c(O)cc(OC)cc2OCC)cc1 |
|
AD16664 | 3.44 | 320.19 | C12H8N4SBr | Brc1ccc(CSc2ncnc3c2N=C[N]3)cc1 |
|
AD16665 | 4.05 | 397.46 | C23H21ON6 | COc1ccc(Cn2cc(CCNc3ncnc4c3N=C[N]4)c3ccccc32)cc1 |
|
AD16666 | 0.67 | 113.16 | C6H11ON | O=CNC1CCCC1 |
|
AD16667 | -0.23 | 96.09 | C4H4ON2 | O=c1ccnc[nH]1 |
|
AD16668 | 3.24 | 187.01 | C8H2N3Cl2 | Clc1cc2c(cc1Cl)N=N[N]2 |
|
AD16669 | 2.77 | 246.26 | C14H14O4 | COc1cc(O)cc2cc(C)c(C(C)=O)c(O)c12 |
|
AD16670 | 2.01 | 358.35 | C19H18O7 | C=CC1C(O)OC=C(C(=O)O)C1CC1OC(=O)C(O)=C1c1ccccc1 |