pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.47	IUPAC digitized pKa	1	0	OCCCc1ccc[nH+]c1	OCCCc1cccnc1	mol6507	OCCCc1cccnc1
5.57	Datawarrior	1	0	OCCCc1ccc[nH+]c1	OCCCc1cccnc1	mol6507	OCCCc1cccnc1
5.5700002	OCHEM	1	0	OCCCc1ccc[nH+]c1	OCCCc1cccnc1	mol6507	OCCCc1cccnc1
5.57000017166138	QSARToolbox	1	0	OCCCc1ccc[nH+]c1	OCCCc1cccnc1	mol6507	OCCCc1cccnc1
5.46999979019165	QSARToolbox	1	0	OCCCc1ccc[nH+]c1	OCCCc1cccnc1	mol6507	OCCCc1cccnc1