pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.59	IUPAC digitized pKa	0	-1	c1ccc(-c2nc[nH]n2)cc1	c1ccc(-c2nc[n-]n2)cc1	mol7678	c1ccc(-c2nc[nH]n2)cc1
9.29	Baltruschat ChEMBL	0	-1	c1ccc(-c2nc[nH]n2)cc1	c1ccc(-c2nc[n-]n2)cc1	mol7678	c1ccc(-c2nc[nH]n2)cc1
9.15	AttenGpKa training set	0	-1	c1ccc(-c2nc[nH]n2)cc1	c1ccc(-c2nc[n-]n2)cc1	mol7678	c1ccc(-c2nc[nH]n2)cc1
2.05	IUPAC digitized pKa	1	0	c1ccc(-c2nc[nH][nH+]2)cc1,c1ccc(-c2n[nH]c[nH+]2)cc1	c1ccc(-c2nc[nH]n2)cc1	mol7678	c1ccc(-c2nc[nH]n2)cc1
2.04	AttenGpKa training set	1	0	c1ccc(-c2nc[nH][nH+]2)cc1,c1ccc(-c2n[nH]c[nH+]2)cc1	c1ccc(-c2nc[nH]n2)cc1	mol7678	c1ccc(-c2nc[nH]n2)cc1