pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.06	Datawarrior	0	-1	CCOC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)C(C)=O	CCOC(=O)[C-](Cc1ccc([N+](=O)[O-])cc1)C(C)=O	mol15584	CCOC(=O)C(Cc1ccc([N+](=O)[O-])cc1)C(C)=O
11.0600004196167	QSARToolbox	0	-1	CCOC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)C(C)=O	CCOC(=O)[C-](Cc1ccc([N+](=O)[O-])cc1)C(C)=O	mol15584	CCOC(=O)C(Cc1ccc([N+](=O)[O-])cc1)C(C)=O