aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD21661 | 1.76 | 168.22 | C8H8O2S | COC(=O)c1ccccc1S |
|
AD21662 | 3.69 | 327.34 | C20H13O2N3 | O=C1NC(O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21 |
|
AD21663 | -1.13 | 101.11 | C4H7O2N | O=C1CC(O)CN1 |
|
AD21664 | 3.42 | 209.25 | C14H11ON | c1ccc(Cc2nc3ccccc3o2)cc1 |
|
AD21665 | 1.73 | 203.16 | C9H8ONF3 | NC(=O)Cc1ccc(C(F)(F)F)cc1 |
|
AD21666 | 1.34 | 152.22 | C7H8N2S | NC(=S)Nc1ccccc1 |
|
AD21667 | 3.14 | 597.75 | C33H47O7N3 | CCC(=O)OC1CC(=O)NC(CC=Cc2ccnc3ccccc23)CCN(C)CC(O)C(C)CC(CC=O)C(O)C1OC |
|
AD21668 | 0.5 | 149.13 | C6H5ON4 | ONc1ncnc2c1C=C[N]2 |
|
AD21669 | -0.57 | 200.22 | C7H8O3N2S | NC(=O)c1ccc(S(N)(=O)=O)cc1 |
|
AD21670 | 2.04 | 216.27 | C10H8N4S | Nc1ncnn2ccc(-c3ccsc3)c12 |