pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.52	Datawarrior	0	-1	Cc1nnn[nH]1	Cc1nnn[n-]1	mol15831	Cc1nnn[nH]1
4.9	Baltruschat ChEMBL	0	-1	Cc1nnn[nH]1	Cc1nnn[n-]1	mol15831	Cc1nnn[nH]1
5.55999994277954	QSARToolbox	0	-1	Cc1nnn[nH]1	Cc1nnn[n-]1	mol15831	Cc1nnn[nH]1
5.5	QSARToolbox	0	-1	Cc1nnn[nH]1	Cc1nnn[n-]1	mol15831	Cc1nnn[nH]1
5.595	AttenGpKa training set	0	-1	Cc1nnn[nH]1	Cc1nnn[n-]1	mol15831	Cc1nnn[nH]1
-1.83	AttenGpKa training set	1	0	Cc1n[nH+]n[nH]1,Cc1[nH]nn[nH+]1	Cc1nnn[nH]1	mol15831	Cc1nnn[nH]1