pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.68	AttenGpKa training set	1	0	COCCNC(=O)c1c(O)c(O)cc(C)[n+]1C	COCCNC(=O)c1c([O-])c(O)cc(C)[n+]1C,COCCNC(=O)c1c(O)c([O-])cc(C)[n+]1C	mol25129	COCCNC(=O)c1c(O)c(O)cc(C)[n+]1C