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TableĀ 1 The 38 ionizable dimorphite-DL substructures in order of decreasing priority from left to right, with representative compounds

From: Dimorphite-DL: an open-source program for enumerating the ionization states of drug-like small molecules

  1. Exact substructure definitions are given in Additional file 1: Table S1. The pKa range is the average of all associated pKa values in the database, plus or minus the standard deviation