pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.87	Baltruschat ChEMBL	0	-1	CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1	CC(C)C(=O)[N-]c1ccc([N+](=O)[O-])c(C(F)(F)F)c1	mol20878	CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1