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| docking score valuesa |
||
|---|---|---|
| compound | S1R | S2R |
| 4a | –8.21 | –7.85 |
| 4b | –8.84 | –8.02 |
| 4c | –8.64 | –8.21 |
| 4d | –9.22 | –8.25 |
| 4e | –9.33 | –8.01 |
| 4f | –9.45 | –8.56 |
| 5a | –9.45 | –8.31 |
| 5b | –9.72 | –8.32 |
| 8a | –7.77 | –7.28 |
| 8b | –9.22 | –7.33 |
| 8c | –8.32 | –8.31 |
| 8d | –9.76 | –7.49 |
| 8e | –9.47 | –8.04 |
| 8f | –9.81 | –7.63 |
| 8g | –10.28 | –6.92 |
Expressed in kcal/mol.
