pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.1700000762939	QSARToolbox	1	0	OCCC[C@@H]1CC[C@H]2CCC[NH+]12	OCCC[C@@H]1CC[C@H]2CCCN12	mol37814	OCCC[C@@H]1CC[C@H]2CCCN12