Table 2.
Two-dimensional representations of compounds retrieved from the IBScreen database.
| Compounds | IBScreen ID | Structures | Binding energies (kcal/mol) |
|---|---|---|---|
| a | STOCK4S-95238 |
|
-7.842 |
| b | STOCK1S-15990 |
|
-10.498 |
| c | STOCK6S-14477 |
|
-10.083 |
| d | STOCK3S-48351 |
|
-8.014 |
| e | STOCKIS-43560 |
|
-8.350 |