aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD34001 | 0.89 | 219.29 | C12H17ON3 | NCC1CCN(C(=O)c2cccnc2)CC1 |
|
AD34002 | 0.51 | 206.24 | C11H14O2N2 | NCc1cccc(N2CCOCC2=O)c1 |
|
AD34003 | 0.94 | 199.27 | C9H13O2NS | CCS(=O)(=O)c1ccc(CN)cc1 |
|
AD34004 | 1.97 | 211.24 | C11H14O2NF | Nc1ccc(OCC2CCCO2)c(F)c1 |
|
AD34005 | 1.95 | 201.27 | C12H15N3 | Cc1cc(C)n(-c2ccc(CN)cc2)n1 |
|
AD34006 | 0.13 | 204.03 | C5H6ON3Br | Cn1ncc(N)c(Br)c1=O |
|
AD34007 | 0.94 | 205.22 | C10H11O2N3 | COC(=O)c1nn(C)c2ccc(N)cc12 |
|
AD34008 | 0.58 | 216.28 | C10H20O3N2 | CC(C)(C)OC(=O)N1CCOCC1CN |
|
AD34009 | 1.95 | 221.3 | C13H19O2N | NCc1ccc(OCC2CCOCC2)cc1 |
|
AD34010 | 1.86 | 207.27 | C12H17O2N | CCCC(N)C(=O)OCc1ccccc1 |