pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.85	OCHEM	1	0	CCCCC1CC[NH+](CCCC(=O)c2ccccc2C)CC1	CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1	mol408	CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1