pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.33	Datawarrior	1	0	NC(=O)CCCc1ccc[nH+]c1	NC(=O)CCCc1cccnc1	mol12611	NC(=O)CCCc1cccnc1
5.3299999	OCHEM	1	0	NC(=O)CCCc1ccc[nH+]c1	NC(=O)CCCc1cccnc1	mol12611	NC(=O)CCCc1cccnc1
5.32999992370606	QSARToolbox	1	0	NC(=O)CCCc1ccc[nH+]c1	NC(=O)CCCc1cccnc1	mol12611	NC(=O)CCCc1cccnc1