pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.35	AttenGpKa training set	0	-1	COc1cc([N+](=O)[O-])c([N+](=O)[O-])c(C(=O)O)c1OC	COc1cc([N+](=O)[O-])c([N+](=O)[O-])c(C(=O)[O-])c1OC	mol23170	COc1cc([N+](=O)[O-])c([N+](=O)[O-])c(C(=O)O)c1OC