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Gupta et al. J. Med. Chem. 2019, 62, 9824−9836. DOI: 10.1021/acs.jmedchem.9b01220 DeGoey et al. J. Med. Chem. 2018, 61, 2636−2651. DOI: 10.1021/acs.jmedchem.7b00717
The pKa selection for the BBB calculation was updated at the request of Sygnature. 6d99791