pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.93	Datawarrior	1	0	OCCCCCc1cccc[nH+]1	OCCCCCc1ccccn1	mol12683	OCCCCCc1ccccn1
5.9299998	OCHEM	1	0	OCCCCCc1cccc[nH+]1	OCCCCCc1ccccn1	mol12683	OCCCCCc1ccccn1
5.92999982833862	QSARToolbox	1	0	OCCCCCc1cccc[nH+]1	OCCCCCc1ccccn1	mol12683	OCCCCCc1ccccn1