pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.65	OCHEM	1	0	O=C(CCC[NH+]1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1	O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1	mol31671	O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1