pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.975	OCHEM	2	1	OCCOCC[NH+]1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1	OCCOCC[NH+]1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1,OCCOCCN1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1	mol31825	OCCOCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1