pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.47	IUPAC digitized pKa	1	0	Cc1c[nH+]ccn1,Cc1cncc[nH+]1	Cc1cnccn1	mol3992	Cc1cnccn1
1.5	IUPAC digitized pKa	1	0	Cc1c[nH+]ccn1,Cc1cncc[nH+]1	Cc1cnccn1	mol3992	Cc1cnccn1
1.42	Datawarrior	1	0	Cc1c[nH+]ccn1,Cc1cncc[nH+]1	Cc1cnccn1	mol3992	Cc1cnccn1
1.46	OCHEM	1	0	Cc1c[nH+]ccn1,Cc1cncc[nH+]1	Cc1cnccn1	mol3992	Cc1cnccn1
1.4099999666214	QSARToolbox	1	0	Cc1c[nH+]ccn1,Cc1cncc[nH+]1	Cc1cnccn1	mol3992	Cc1cnccn1
1.45000004768372	QSARToolbox	1	0	Cc1c[nH+]ccn1,Cc1cncc[nH+]1	Cc1cnccn1	mol3992	Cc1cnccn1
-4.89	Datawarrior	2	1	Cc1c[nH+]cc[nH+]1	Cc1c[nH+]ccn1,Cc1cncc[nH+]1	mol3992	Cc1cnccn1
-5.25	QSARToolbox	2	1	Cc1c[nH+]cc[nH+]1	Cc1c[nH+]ccn1,Cc1cncc[nH+]1	mol3992	Cc1cnccn1