pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.85	Datawarrior	0	-1	Cc1cc(Cl)cc(Cl)c1O	Cc1cc(Cl)cc(Cl)c1[O-]	mol10103	Cc1cc(Cl)cc(Cl)c1O
7.8499999	OCHEM	0	-1	Cc1cc(Cl)cc(Cl)c1O	Cc1cc(Cl)cc(Cl)c1[O-]	mol10103	Cc1cc(Cl)cc(Cl)c1O
8.14	OCHEM	0	-1	Cc1cc(Cl)cc(Cl)c1O	Cc1cc(Cl)cc(Cl)c1[O-]	mol10103	Cc1cc(Cl)cc(Cl)c1O
7.69999980926514	QSARToolbox	0	-1	Cc1cc(Cl)cc(Cl)c1O	Cc1cc(Cl)cc(Cl)c1[O-]	mol10103	Cc1cc(Cl)cc(Cl)c1O
8.0	QSARToolbox	0	-1	Cc1cc(Cl)cc(Cl)c1O	Cc1cc(Cl)cc(Cl)c1[O-]	mol10103	Cc1cc(Cl)cc(Cl)c1O
8.14000034332275	QSARToolbox	0	-1	Cc1cc(Cl)cc(Cl)c1O	Cc1cc(Cl)cc(Cl)c1[O-]	mol10103	Cc1cc(Cl)cc(Cl)c1O
7.7	AttenGpKa training set	0	-1	Cc1cc(Cl)cc(Cl)c1O	Cc1cc(Cl)cc(Cl)c1[O-]	mol10103	Cc1cc(Cl)cc(Cl)c1O