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Chemical structures and ligand-based alignments of CBG and CBC predicted with ROCS [25]. Specifically, (a) reports the structures of CBG, 5PP and CBC. The chiral center in CBC is highlighted with a red star. (b) reports the shape-based alignment obtained for CBG (dark teal sticks) and the S stereoisomer of CBC (dark grey sticks) with the 5PP (orange thinner sticks) compound.
