pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.69	Datawarrior	0	-1	Oc1ccc2cccc(Cl)c2c1	[O-]c1ccc2cccc(Cl)c2c1	mol12734	Oc1ccc2cccc(Cl)c2c1
8.6899996	OCHEM	0	-1	Oc1ccc2cccc(Cl)c2c1	[O-]c1ccc2cccc(Cl)c2c1	mol12734	Oc1ccc2cccc(Cl)c2c1
8.6899995803833	QSARToolbox	0	-1	Oc1ccc2cccc(Cl)c2c1	[O-]c1ccc2cccc(Cl)c2c1	mol12734	Oc1ccc2cccc(Cl)c2c1