pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.21	Datawarrior	0	-1	Cc1c(Cl)cc2nnn(O)c2c1[N+](=O)[O-]	Cc1c(Cl)cc2nnn([O-])c2c1[N+](=O)[O-]	mol15704	Cc1c(Cl)cc2nnn(O)c2c1[N+](=O)[O-]
3.21000003814697	QSARToolbox	0	-1	Cc1c(Cl)cc2nnn(O)c2c1[N+](=O)[O-]	Cc1c(Cl)cc2nnn([O-])c2c1[N+](=O)[O-]	mol15704	Cc1c(Cl)cc2nnn(O)c2c1[N+](=O)[O-]