pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.2	Datawarrior	1	0	Cc1ccc([N+](C)(C)C)cc1O	Cc1ccc([N+](C)(C)C)cc1[O-]	mol12684	Cc1ccc([N+](C)(C)C)cc1O
8.1999998	OCHEM	1	0	Cc1ccc([N+](C)(C)C)cc1O	Cc1ccc([N+](C)(C)C)cc1[O-]	mol12684	Cc1ccc([N+](C)(C)C)cc1O
8.19999980926514	QSARToolbox	1	0	Cc1ccc([N+](C)(C)C)cc1O	Cc1ccc([N+](C)(C)C)cc1[O-]	mol12684	Cc1ccc([N+](C)(C)C)cc1O