pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.64	Datawarrior	0	-1	Oc1cccc2c1-c1ccccc1-2	[O-]c1cccc2c1-c1ccccc1-2	mol13969	Oc1cccc2c1-c1ccccc1-2
8.6400003	OCHEM	0	-1	Oc1cccc2c1-c1ccccc1-2	[O-]c1cccc2c1-c1ccccc1-2	mol13969	Oc1cccc2c1-c1ccccc1-2
8.64000034332275	QSARToolbox	0	-1	Oc1cccc2c1-c1ccccc1-2	[O-]c1cccc2c1-c1ccccc1-2	mol13969	Oc1cccc2c1-c1ccccc1-2