pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.73	Datawarrior	1	0	NC(=O)CCCCc1cccc[nH+]1	NC(=O)CCCCc1ccccn1	mol13887	NC(=O)CCCCc1ccccn1
5.73000001907349	QSARToolbox	1	0	NC(=O)CCCCc1cccc[nH+]1	NC(=O)CCCCc1ccccn1	mol13887	NC(=O)CCCCc1ccccn1