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. 2017 Jan 9;12(1):e0169773. doi: 10.1371/journal.pone.0169773

Table 2. The reaction Gibbs free energies (ΔG0) for all possible deprotonation sites of PIC and ISO in water solution (in kJ/mol).

PIC ISO
site ΔG0 site ΔG0
A4 37.68 A'4 47.97
A5 57.60
B3 56.23 B'3 56.48
B5 55.32 B'5 51.71