pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.4799995422363	QSARToolbox	1	0	OCCC[C@H]1CC[C@H]2CCC[NH+]21	OCCC[C@H]1CC[C@H]2CCCN21	mol37813	OCCC[C@H]1CC[C@H]2CCCN21