pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.88	IUPAC digitized pKa	0	-1	Oc1cnc2ncccc2n1	[O-]c1cnc2ncccc2n1	mol1835	Oc1cnc2ncccc2n1
7.91	IUPAC digitized pKa	0	-1	Oc1cnc2ncccc2n1	[O-]c1cnc2ncccc2n1	mol1835	Oc1cnc2ncccc2n1
7.88000011444092	QSARToolbox	0	-1	Oc1cnc2ncccc2n1	[O-]c1cnc2ncccc2n1	mol1835	Oc1cnc2ncccc2n1
7.90999984741211	QSARToolbox	0	-1	Oc1cnc2ncccc2n1	[O-]c1cnc2ncccc2n1	mol1835	Oc1cnc2ncccc2n1
2.7	IUPAC digitized pKa	1	0	Oc1cnc2[nH+]cccc2n1,Oc1cnc2ncccc2[nH+]1,Oc1c[nH+]c2ncccc2n1	Oc1cnc2ncccc2n1	mol1835	Oc1cnc2ncccc2n1
2.70000004768372	QSARToolbox	1	0	Oc1cnc2[nH+]cccc2n1,Oc1cnc2ncccc2[nH+]1,Oc1c[nH+]c2ncccc2n1	Oc1cnc2ncccc2n1	mol1835	Oc1cnc2ncccc2n1
3.9300000667572	QSARToolbox	1	0	Oc1cnc2[nH+]cccc2n1,Oc1cnc2ncccc2[nH+]1,Oc1c[nH+]c2ncccc2n1	Oc1cnc2ncccc2n1	mol1835	Oc1cnc2ncccc2n1