pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.9	Datawarrior	0	-1	CCOC(=O)c1cnc2c([N+](=O)[O-])cccc2c1O	CCOC(=O)c1cnc2c([N+](=O)[O-])cccc2c1[O-]	mol15470	CCOC(=O)c1cnc2c([N+](=O)[O-])cccc2c1O
8.8999996	OCHEM	0	-1	CCOC(=O)c1cnc2c([N+](=O)[O-])cccc2c1O	CCOC(=O)c1cnc2c([N+](=O)[O-])cccc2c1[O-]	mol15470	CCOC(=O)c1cnc2c([N+](=O)[O-])cccc2c1O
9.10000038146973	QSARToolbox	0	-1	CCOC(=O)c1cnc2c([N+](=O)[O-])cccc2c1O	CCOC(=O)c1cnc2c([N+](=O)[O-])cccc2c1[O-]	mol15470	CCOC(=O)c1cnc2c([N+](=O)[O-])cccc2c1O
8.5	QSARToolbox	0	-1	CCOC(=O)c1cnc2c([N+](=O)[O-])cccc2c1O	CCOC(=O)c1cnc2c([N+](=O)[O-])cccc2c1[O-]	mol15470	CCOC(=O)c1cnc2c([N+](=O)[O-])cccc2c1O