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. Author manuscript; available in PMC: 2023 Sep 6.
Published in final edited form as: J Chem Inf Model. 2020 May 4;60(6):3277–3286. doi: 10.1021/acs.jcim.0c00179

Figure 3.

Figure 3.

2D-Structures of promising bio-actives which are structurally similar to Lopinavir. PubChem 88143175, although studied in neutral form, bears −3 charges under physiological conditions.