pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.48	Datawarrior	1	0	NC(=O)CCCc1cccc[nH+]1	NC(=O)CCCc1ccccn1	mol12615	NC(=O)CCCc1ccccn1
5.48000001907349	QSARToolbox	1	0	NC(=O)CCCc1cccc[nH+]1	NC(=O)CCCc1ccccn1	mol12615	NC(=O)CCCc1ccccn1