pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.5	Baltruschat ChEMBL	1	0	Cc1cc(OCC[NH+]2CCOCC2)nn1-c1ccc2ccccc2c1	Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1	mol16251	Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1