pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.29	Hunt	0	-1	CC[C@@](CC(=O)O)(C(=O)OC)c1ccc([N+](=O)[O-])cc1	CC[C@@](CC(=O)[O-])(C(=O)OC)c1ccc([N+](=O)[O-])cc1	mol817	CC[C@@](CC(=O)O)(C(=O)OC)c1ccc([N+](=O)[O-])cc1