pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.64	Datawarrior	1	0	NC(=O)CCCc1cc[nH+]cc1	NC(=O)CCCc1ccncc1	mol12613	NC(=O)CCCc1ccncc1
5.6399999	OCHEM	1	0	NC(=O)CCCc1cc[nH+]cc1	NC(=O)CCCc1ccncc1	mol12613	NC(=O)CCCc1ccncc1
5.6399998664856	QSARToolbox	1	0	NC(=O)CCCc1cc[nH+]cc1	NC(=O)CCCc1ccncc1	mol12613	NC(=O)CCCc1ccncc1