pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.59	IUPAC digitized pKa	1	0	CCCc1ccc[nH+]n1,CCCc1cccn[nH+]1	CCCc1cccnn1	mol4047	CCCc1cccnn1
3.5899999	OCHEM	1	0	CCCc1ccc[nH+]n1,CCCc1cccn[nH+]1	CCCc1cccnn1	mol4047	CCCc1cccnn1
3.58999991416931	QSARToolbox	1	0	CCCc1ccc[nH+]n1,CCCc1cccn[nH+]1	CCCc1cccnn1	mol4047	CCCc1cccnn1