pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.4200001	OCHEM	1	0	CO[C@H]1CC=C2CC[NH+]3CC[C@@H](CO)C(=CCO)[C@]23C1	CO[C@H]1CC=C2CCN3CC[C@@H](CO)C(=CCO)[C@]23C1	mol32652	COC1CC=C2CCN3CCC(CO)C(=CCO)C23C1