pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.43	OCHEM	1	0	CCOC(=O)C1(c2ccccc2)CC[NH+](CCF)CC1	CCOC(=O)C1(c2ccccc2)CCN(CCF)CC1	mol18344	CCOC(=O)C1(c2ccccc2)CCN(CCF)CC1
7.42999982833862	QSARToolbox	1	0	CCOC(=O)C1(c2ccccc2)CC[NH+](CCF)CC1	CCOC(=O)C1(c2ccccc2)CCN(CCF)CC1	mol18344	CCOC(=O)C1(c2ccccc2)CCN(CCF)CC1