pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.57	AttenGpKa training set	0	-1	COc1c(O)cc(C(=O)O)cc1[N+](=O)[O-]	COc1c(O)cc(C(=O)[O-])cc1[N+](=O)[O-]	mol22937	COc1c(O)cc(C(=O)O)cc1[N+](=O)[O-]