pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.6	IUPAC digitized pKa	1	0	Cc1cccc2c[nH+]c3ccccc3c12	Cc1cccc2cnc3ccccc3c12	mol8394	Cc1cccc2cnc3ccccc3c12
4.59999990463257	QSARToolbox	1	0	Cc1cccc2c[nH+]c3ccccc3c12	Cc1cccc2cnc3ccccc3c12	mol8394	Cc1cccc2cnc3ccccc3c12