The 76 non-isomeric with scores above 79 are a direct output of Ligand GA. It is reasonable and important to manually edit molecules if necessary. For example, Molecule 74:19 and 68:51 have an external 3-member C ring that appears peculiar and raises the question 'what is that for'. It does have an effect in the geometry of the stereoisomer and interaction, but it could be changed and then reanalyzed. Manual modifications of functional groups or atoms is expected in realistic inhibitor design. Simeprevir, a very effective treatment of Hepatitus C, has 2 3-member C rings and one of them is external.