pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.25	AttenGpKa training set	2	1	Cc1cc(O)c(O)c(C(=O)Nc2cccc[nH+]2)[n+]1C	Cc1cc([O-])c(O)c(C(=O)Nc2cccc[nH+]2)[n+]1C,Cc1cc(O)c(O)c(C(=O)Nc2ccccn2)[n+]1C,Cc1cc(O)c([O-])c(C(=O)Nc2cccc[nH+]2)[n+]1C	mol25134	Cc1cc(O)c(O)c(C(=O)Nc2ccccn2)[n+]1C