| Compound ID | MIC-UNK-5a93dd5f-4 | 
| ΔG / kcal M-1 | −9.6 ± 0.7 | 
| IC50 / µM | TBD | 
| pIC50 | TBD | 
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1135 | ADA-UCB-6c2cb422-1_1 |  | MIC-UNK-5a93dd5f-4_2 |  | −2.4 ± 0.7 |   |   | ||||
| RUN1122 | ADA-UCB-6c2cb422-1_1 |  | MIC-UNK-5a93dd5f-4_1 |  | 10.6 ± 0.4 |   |   | ||||