pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.52	IUPAC digitized pKa	0	-1	Oc1ccc2nccnc2n1	[O-]c1ccc2nccnc2n1	mol8020	Oc1ccc2nccnc2n1
9.52000045776367	QSARToolbox	0	-1	Oc1ccc2nccnc2n1	[O-]c1ccc2nccnc2n1	mol8020	Oc1ccc2nccnc2n1
-1.2	IUPAC digitized pKa	1	0	Oc1ccc2nccnc2[nH+]1,Oc1ccc2ncc[nH+]c2n1,Oc1ccc2[nH+]ccnc2n1	Oc1ccc2nccnc2n1	mol8020	Oc1ccc2nccnc2n1
-1.20000004768372	QSARToolbox	1	0	Oc1ccc2nccnc2[nH+]1,Oc1ccc2ncc[nH+]c2n1,Oc1ccc2[nH+]ccnc2n1	Oc1ccc2nccnc2n1	mol8020	Oc1ccc2nccnc2n1