pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.53	IUPAC digitized pKa	0	-1	c1ccc(-c2c[nH]c(-c3ccccc3)n2)cc1	c1ccc(-c2c[n-]c(-c3ccccc3)n2)cc1	mol3908	c1ccc(-c2c[nH]c(-c3ccccc3)n2)cc1
12.6	Datawarrior	0	-1	c1ccc(-c2c[nH]c(-c3ccccc3)n2)cc1	c1ccc(-c2c[n-]c(-c3ccccc3)n2)cc1	mol3908	c1ccc(-c2c[nH]c(-c3ccccc3)n2)cc1
5.64	IUPAC digitized pKa	1	0	c1ccc(-c2c[nH]c(-c3ccccc3)[nH+]2)cc1	c1ccc(-c2c[nH]c(-c3ccccc3)n2)cc1	mol3908	c1ccc(-c2c[nH]c(-c3ccccc3)n2)cc1
5.65	OCHEM	1	0	c1ccc(-c2c[nH]c(-c3ccccc3)[nH+]2)cc1	c1ccc(-c2c[nH]c(-c3ccccc3)n2)cc1	mol3908	c1ccc(-c2c[nH]c(-c3ccccc3)n2)cc1