pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.1	Baltruschat ChEMBL	1	0	COc1noc2c1CC[NH2+]C2	COc1noc2c1CCNC2	mol21116	COc1noc2c1CCNC2