pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.257	OCHEM	0	-1	Cc1ncc([N+](=O)[O-])n1C[C@@H](O)Cn1cc(C(=O)O)c(=O)c2cc(Cl)cc(Cl)c21	Cc1ncc([N+](=O)[O-])n1C[C@@H](O)Cn1cc(C(=O)[O-])c(=O)c2cc(Cl)cc(Cl)c21	mol17198	Cc1ncc([N+](=O)[O-])n1CC(O)Cn1cc(C(=O)O)c(=O)c2cc(Cl)cc(Cl)c21