| Compound ID | SAD-SAT-1b030f84-3 | 
| ΔG / kcal M-1 | −6.4 ± 0.7 | 
| IC50 / µM | TBD | 
| pIC50 | TBD | 
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN135 | ADA-UCB-6c2cb422-1_1 | 
      
         | 
    SAD-SAT-1b030f84-3_1 | 
      
         | 
    1.5 ± 0.7 | 
      
         
      
     | 
    
      
         
      
     | 
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