pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.55	Organic Oxygen Acids and Nitrogen Bases	1	0	Clc1[nH]cc[nH+]1	Clc1ncc[nH]1	mol19922	Clc1ncc[nH]1
3.525	AttenGpKa training set	1	0	Clc1[nH]cc[nH+]1	Clc1ncc[nH]1	mol19922	Clc1ncc[nH]1