pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.6	Datawarrior	1	0	NC(=O)CCCCc1ccc[nH+]c1	NC(=O)CCCCc1cccnc1	mol13889	NC(=O)CCCCc1cccnc1
5.5999999	OCHEM	1	0	NC(=O)CCCCc1ccc[nH+]c1	NC(=O)CCCCc1cccnc1	mol13889	NC(=O)CCCCc1cccnc1
5.59999990463257	QSARToolbox	1	0	NC(=O)CCCCc1ccc[nH+]c1	NC(=O)CCCCc1cccnc1	mol13889	NC(=O)CCCCc1cccnc1