pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.54	AttenGpKa training set	0	-1	COc1cc([N+](=O)[O-])c(C=O)c(C(=O)O)c1OC	COc1cc([N+](=O)[O-])c(C=O)c(C(=O)[O-])c1OC	mol23121	COc1cc([N+](=O)[O-])c(C=O)c(C(=O)O)c1OC