pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.68	IUPAC digitized pKa	1	0	COc1[nH+]ccc(N)c1N,COc1nccc(N)c1[NH3+],COc1nccc([NH3+])c1N	COc1nccc(N)c1N	mol6410	COc1nccc(N)c1N
5.67999982833862	QSARToolbox	1	0	COc1[nH+]ccc(N)c1N,COc1nccc(N)c1[NH3+],COc1nccc([NH3+])c1N	COc1nccc(N)c1N	mol6410	COc1nccc(N)c1N
1.60000002384186	QSARToolbox	2	1	COc1nccc([NH3+])c1[NH3+],COc1[nH+]ccc(N)c1[NH3+]	COc1[nH+]ccc(N)c1N,COc1nccc(N)c1[NH3+],COc1nccc([NH3+])c1N	mol6410	COc1nccc(N)c1N