aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD36471 | 0.4 | 259.26 | C13H13O3N3 | COc1ccc(Cn2ccnc(C(N)=O)c2=O)cc1 |
|
AD36472 | -0.71 | 273.25 | C12H11O3N5 | O=C(NCCO)c1nc2c(=O)[nH]c3ccccc3n2n1 |
|
AD36473 | 1.03 | 247.65 | C11H6ON5Cl | NC(=O)c1nc2c(Cl)nc3ccccc3n2n1 |
|
AD36474 | 1.2 | 240.06 | C8H6ON3Br | NC(=O)c1cn2ccc(Br)cc2n1 |
|
AD36475 | 1.18 | 253.33 | C11H15O2N3S | CC(C)C(=O)N1CCCc2sc(C(N)=O)nc21 |
|
AD36476 | 1.44 | 240.27 | C13H12ON4 | Cn1ccc(-c2cc(C(N)=O)c3ccccn23)n1 |
|
AD36477 | 0.59 | 241.05 | C7H5ON4Br | NC(=O)c1cc2ncc(Br)cn2n1 |
|
AD36478 | 0.59 | 241.05 | C7H5ON4Br | NC(=O)c1cnn2cc(Br)cnc12 |
|
AD36479 | 1.2 | 240.06 | C8H6ON3Br | NC(=O)c1cc(Br)cn2ccnc12 |
|
AD36480 | 1.48 | 242.07 | C9H8O2NBr | NC(=O)c1cc(Br)cc2c1OCC2 |