aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD44551 | 2.97 | 393.37 | C21H16O4N3F | Cc1ccc2c(=O)c3cccc(CC(=O)Nc4nc(=O)[nH]cc4F)c3oc2c1C |
|
AD44552 | 3.53 | 408.51 | C21H25N3F3S | C[NH+]1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 |
|
AD44553 | 2.56 | 329.33 | C12H15O6N3S | CCSC(CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OC(C)=O |
|
AD44554 | 2.36 | 234.17 | C10H6O5N2 | O=[N+]([O-])c1cc([N+](=O)[O-])c2ccccc2c1O |
|
AD44555 | 4.34 | 468.5 | C19H14O4N7S2 | Nc1nc2c(c(SCc3ccc([N+](=O)[O-])cc3)n1)N=C(SCc1ccc([N+](=O)[O-])cc1)[N]2 |
|
AD44556 | 1.63 | 314.43 | C16H30O4N2 | CC(C)CC(NC(=O)C(NC=O)C(C)C)C(=O)OC(C)(C)C |
|
AD44557 | 3.13 | 465.57 | C27H33O5N2 | O=c1c(-c2ccc(O)cc2)coc2c(CN3CCCCC3)c(O)c(C[NH+]3CCCCC3)c(O)c12 |
|
AD44558 | 2.31 | 239.3 | C10H6ONFS2 | O=C1NC(=S)SC1=Cc1ccccc1F |
|
AD44559 | 2.66 | 260.34 | C12H8ON2S2 | O=C1NC(=S)SC1=Cc1c[nH]c2ccccc12 |
|
AD44560 | 2.24 | 264.37 | C12H12ON2S2 | CN(C)c1ccc(C=C2SC(=S)NC2=O)cc1 |