pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.98	Hunt	0	-1	Oc1ncc2cccnc2n1	[O-]c1ncc2cccnc2n1	mol1438	Oc1ncc2cccnc2n1
9.1	AttenGpKa training set	0	-1	Oc1ncc2cccnc2n1	[O-]c1ncc2cccnc2n1	mol1438	Oc1ncc2cccnc2n1
1.81	IUPAC digitized pKa	1	0	Oc1ncc2cccnc2[nH+]1,Oc1nc2ncccc2c[nH+]1,Oc1ncc2ccc[nH+]c2n1	Oc1ncc2cccnc2n1	mol1438	Oc1ncc2cccnc2n1
1.80999994277954	QSARToolbox	1	0	Oc1ncc2cccnc2[nH+]1,Oc1nc2ncccc2c[nH+]1,Oc1ncc2ccc[nH+]c2n1	Oc1ncc2cccnc2n1	mol1438	Oc1ncc2cccnc2n1
1.60000002384186	QSARToolbox	1	0	Oc1ncc2cccnc2[nH+]1,Oc1nc2ncccc2c[nH+]1,Oc1ncc2ccc[nH+]c2n1	Oc1ncc2cccnc2n1	mol1438	Oc1ncc2cccnc2n1