pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.92	Datawarrior	0	-1	Cn1c(-c2ccccc2O)nc2ccccc21	Cn1c(-c2ccccc2[O-])nc2ccccc21	mol15286	Cn1c(-c2ccccc2O)nc2ccccc21
8.9200001	OCHEM	0	-1	Cn1c(-c2ccccc2O)nc2ccccc21	Cn1c(-c2ccccc2[O-])nc2ccccc21	mol15286	Cn1c(-c2ccccc2O)nc2ccccc21
5.76	Datawarrior	1	0	Cn1c(-c2ccccc2O)[nH+]c2ccccc21	Cn1c(-c2ccccc2O)nc2ccccc21	mol15286	Cn1c(-c2ccccc2O)nc2ccccc21
5.7600002	OCHEM	1	0	Cn1c(-c2ccccc2O)[nH+]c2ccccc21	Cn1c(-c2ccccc2O)nc2ccccc21	mol15286	Cn1c(-c2ccccc2O)nc2ccccc21
5.76000022888184	QSARToolbox	1	0	Cn1c(-c2ccccc2O)[nH+]c2ccccc21	Cn1c(-c2ccccc2O)nc2ccccc21	mol15286	Cn1c(-c2ccccc2O)nc2ccccc21