aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD43921 | 0.35 | 200.18 | C9H6ON5 | CC#CC(=O)Nc1ncnc2c1N=C[N]2 |
|
AD43922 | 3.12 | 315.4 | C16H17O2N3S | Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(N)=O |
|
AD43923 | 1.49 | 347.42 | C18H25O4N3 | CC(C)(C)OC(=O)NC(CC(=O)NCCO)Cc1ccccc1C#N |
|
AD43924 | 2.07 | 294.32 | C13H8N7S | N#Cc1ccccc1NC(=S)Nc1ncnc2c1N=C[N]2 |
|
AD43925 | 2.72 | 328.77 | C14H7N7ClS | N#Cc1ccccc1NC(=S)Nc1nc(Cl)nc2c1N=C[N]2 |
|
AD43926 | 2.72 | 328.77 | C14H7N7ClS | N#Cc1cccc(NC(=S)Nc2nc(Cl)nc3c2N=C[N]3)c1 |
|
AD43927 | 2.07 | 294.32 | C13H8N7S | N#Cc1cccc(NC(=S)Nc2ncnc3c2N=C[N]3)c1 |
|
AD43928 | 1.16 | 320.35 | C18H16O2N4 | Cc1ccc(C(=O)NCCO)cc1C#Cc1cnc2cccnn12 |
|
AD43929 | 2.25 | 313.38 | C16H21ON6 | C#CCCCCCCCCC(=O)n1c(N)c2c(nc1=N)[N]C=N2 |
|
AD43930 | 2.61 | 361.13 | C12H6N6I | N#Cc1ccccc1Nc1nc(I)nc2c1N=C[N]2 |