pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.28	IUPAC digitized pKa	1	0	CCc1c[nH+]ccc1[N+](=O)[O-]	CCc1cnccc1[N+](=O)[O-]	mol6487	CCc1cnccc1[N+](=O)[O-]
2.19	IUPAC digitized pKa	1	0	CCc1c[nH+]ccc1[N+](=O)[O-]	CCc1cnccc1[N+](=O)[O-]	mol6487	CCc1cnccc1[N+](=O)[O-]
2.13	IUPAC digitized pKa	1	0	CCc1c[nH+]ccc1[N+](=O)[O-]	CCc1cnccc1[N+](=O)[O-]	mol6487	CCc1cnccc1[N+](=O)[O-]
2.16	OCHEM	1	0	CCc1c[nH+]ccc1[N+](=O)[O-]	CCc1cnccc1[N+](=O)[O-]	mol6487	CCc1cnccc1[N+](=O)[O-]