pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.57999992370606	QSARToolbox	2	1	CCCCCCCCCCCC[NH+](CCCCCCCCCCCC)Cc1cccc[nH+]1	CCCCCCCCCCCC[NH+](CCCCCCCCCCCC)Cc1ccccn1	mol35208	CCCCCCCCCCCCN(CCCCCCCCCCCC)Cc1ccccn1
