pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.2	Datawarrior	0	-1	Cc1cc([N+](=O)[O-])c(C(C)C)cc1O	Cc1cc([N+](=O)[O-])c(C(C)C)cc1[O-]	mol13307	Cc1cc([N+](=O)[O-])c(C(C)C)cc1O
4.1999998	OCHEM	0	-1	Cc1cc([N+](=O)[O-])c(C(C)C)cc1O	Cc1cc([N+](=O)[O-])c(C(C)C)cc1[O-]	mol13307	Cc1cc([N+](=O)[O-])c(C(C)C)cc1O
4.19999980926514	QSARToolbox	0	-1	Cc1cc([N+](=O)[O-])c(C(C)C)cc1O	Cc1cc([N+](=O)[O-])c(C(C)C)cc1[O-]	mol13307	Cc1cc([N+](=O)[O-])c(C(C)C)cc1O