pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.8	Datawarrior	1	0	Cc1ccc(NC(=O)C[NH+]2CCCCC2)c(C)c1	Cc1ccc(NC(=O)CN2CCCCC2)c(C)c1	mol14932	Cc1ccc(NC(=O)CN2CCCCC2)c(C)c1
7.8000002	OCHEM	1	0	Cc1ccc(NC(=O)C[NH+]2CCCCC2)c(C)c1	Cc1ccc(NC(=O)CN2CCCCC2)c(C)c1	mol14932	Cc1ccc(NC(=O)CN2CCCCC2)c(C)c1
7.80000019073486	QSARToolbox	1	0	Cc1ccc(NC(=O)C[NH+]2CCCCC2)c(C)c1	Cc1ccc(NC(=O)CN2CCCCC2)c(C)c1	mol14932	Cc1ccc(NC(=O)CN2CCCCC2)c(C)c1