pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.48999977111816	QSARToolbox	3	2	NC(=O)CC[NH2+][C@H]1CCCC[C@@H]1[NH2+]CCC(N)=[OH+]	NC(=O)CC[NH2+][C@H]1CCCC[C@@H]1[NH2+]CCC(N)=O	mol36583	NC(=O)CCN[C@H]1CCCC[C@@H]1NCCC(N)=O