pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
13.64	Datawarrior	0	-1	c1ccc(-c2cn[nH]c2)cc1	c1ccc(-c2cn[n-]c2)cc1	mol13993	c1ccc(-c2cn[nH]c2)cc1
13.6400003433228	QSARToolbox	0	-1	c1ccc(-c2cn[nH]c2)cc1	c1ccc(-c2cn[n-]c2)cc1	mol13993	c1ccc(-c2cn[nH]c2)cc1
1.64	AttenGpKa training set	1	0	c1ccc(-c2c[nH][nH+]c2)cc1	c1ccc(-c2cn[nH]c2)cc1	mol13993	c1ccc(-c2cn[nH]c2)cc1