pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.04	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)Cn1c(=O)sc2cccc(Cl)c21	O=C([O-])Cn1c(=O)sc2cccc(Cl)c21	mol474	O=C(O)Cn1c(=O)sc2cccc(Cl)c21
3.6	AttenGpKa training set	0	-1	O=C(O)Cn1c(=O)sc2cccc(Cl)c21	O=C([O-])Cn1c(=O)sc2cccc(Cl)c21	mol474	O=C(O)Cn1c(=O)sc2cccc(Cl)c21