pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.85	Datawarrior	1	0	Cc1ccc(NC(=O)C[NH+]2CCCCC2)cc1	Cc1ccc(NC(=O)CN2CCCCC2)cc1	mol15160	Cc1ccc(NC(=O)CN2CCCCC2)cc1
7.8499999	OCHEM	1	0	Cc1ccc(NC(=O)C[NH+]2CCCCC2)cc1	Cc1ccc(NC(=O)CN2CCCCC2)cc1	mol15160	Cc1ccc(NC(=O)CN2CCCCC2)cc1
7.84999990463257	QSARToolbox	1	0	Cc1ccc(NC(=O)C[NH+]2CCCCC2)cc1	Cc1ccc(NC(=O)CN2CCCCC2)cc1	mol15160	Cc1ccc(NC(=O)CN2CCCCC2)cc1