pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.4	Baltruschat ChEMBL	2	1	Cc1cc(OC[C@@H]2CCC[NH+]2Cc2ccccc2)n(-c2ccccc2)[nH+]1	Cc1cc(OC[C@@H]2CCC[NH+]2Cc2ccccc2)n(-c2ccccc2)n1	mol18650	Cc1cc(OCC2CCCN2Cc2ccccc2)n(-c2ccccc2)n1