pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.1	AttenGpKa training set	0	-1	COc1ccc(C(=O)O)c([N+](=O)[O-])c1OC	COc1ccc(C(=O)[O-])c([N+](=O)[O-])c1OC	mol23003	COc1ccc(C(=O)O)c([N+](=O)[O-])c1OC