pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.71000003814697	QSARToolbox	2	1	CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCC[NH2+]CCCCCCCC[NH3+]	CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCNCCCCCCCC[NH3+],CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCC[NH2+]CCCCCCCCN	mol35180	CCCC(=O)NC(Cc1ccc(O)cc1)C(=O)NCCCNCCCCCCCCN