pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.92	Datawarrior	1	0	NC(=O)CCCCc1cc[nH+]cc1	NC(=O)CCCCc1ccncc1	mol13888	NC(=O)CCCCc1ccncc1
5.9200001	OCHEM	1	0	NC(=O)CCCCc1cc[nH+]cc1	NC(=O)CCCCc1ccncc1	mol13888	NC(=O)CCCCc1ccncc1
5.92000007629395	QSARToolbox	1	0	NC(=O)CCCCc1cc[nH+]cc1	NC(=O)CCCCc1ccncc1	mol13888	NC(=O)CCCCc1ccncc1