pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.14	Datawarrior	0	-1	O/N=C/c1ccccn1	[O-]/N=C/c1ccccn1	mol13616	O/N=C/c1ccccn1
10.1999998092651	QSARToolbox	0	-1	O/N=C/c1ccccn1	[O-]/N=C/c1ccccn1	mol13616	O/N=C/c1ccccn1
10.1800003051758	QSARToolbox	0	-1	O/N=C/c1ccccn1	[O-]/N=C/c1ccccn1	mol13616	O/N=C/c1ccccn1
10.1	AttenGpKa training set	0	-1	O/N=C/c1ccccn1	[O-]/N=C/c1ccccn1	mol13616	O/N=C/c1ccccn1
3.4	Datawarrior	1	0	O/N=C/c1cccc[nH+]1,O/[NH+]=C/c1ccccn1	O/N=C/c1ccccn1	mol13616	O/N=C/c1ccccn1
3.59999990463257	QSARToolbox	1	0	O/N=C/c1cccc[nH+]1,O/[NH+]=C/c1ccccn1	O/N=C/c1ccccn1	mol13616	O/N=C/c1ccccn1
3.20000004768372	QSARToolbox	1	0	O/N=C/c1cccc[nH+]1,O/[NH+]=C/c1ccccn1	O/N=C/c1ccccn1	mol13616	O/N=C/c1ccccn1