pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.98	IUPAC digitized pKa	0	-1	Oc1ncnc2cccnc12	[O-]c1ncnc2cccnc12	mol4688	Oc1ncnc2cccnc12
8.95	Datawarrior	0	-1	Oc1ncnc2cccnc12	[O-]c1ncnc2cccnc12	mol4688	Oc1ncnc2cccnc12
8.9499998	OCHEM	0	-1	Oc1ncnc2cccnc12	[O-]c1ncnc2cccnc12	mol4688	Oc1ncnc2cccnc12
8.94999980926514	QSARToolbox	0	-1	Oc1ncnc2cccnc12	[O-]c1ncnc2cccnc12	mol4688	Oc1ncnc2cccnc12
8.97999954223633	QSARToolbox	0	-1	Oc1ncnc2cccnc12	[O-]c1ncnc2cccnc12	mol4688	Oc1ncnc2cccnc12
2.0	QSARToolbox	1	0	Oc1nc[nH+]c2cccnc12,Oc1ncnc2ccc[nH+]c12,Oc1[nH+]cnc2cccnc12	Oc1ncnc2cccnc12	mol4688	Oc1ncnc2cccnc12