pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.83	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1ccc(F)c(F)c1	O=C([O-])c1ccc(F)c(F)c1	mol21732	O=C(O)c1ccc(F)c(F)c1
3.82999992370605	QSARToolbox	0	-1	O=C(O)c1ccc(F)c(F)c1	O=C([O-])c1ccc(F)c(F)c1	mol21732	O=C(O)c1ccc(F)c(F)c1
3.8	AttenGpKa training set	0	-1	O=C(O)c1ccc(F)c(F)c1	O=C([O-])c1ccc(F)c(F)c1	mol21732	O=C(O)c1ccc(F)c(F)c1