pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.71	Baltruschat ChEMBL	1	0	Cc1cc(OCC/C=N/[NH+]=C(N)N)cc(OS(=O)(=O)c2ccccc2Cl)c1,Cc1cc(OCC/C=[NH+]/N=C(N)N)cc(OS(=O)(=O)c2ccccc2Cl)c1	Cc1cc(OCC/C=N/N=C(N)N)cc(OS(=O)(=O)c2ccccc2Cl)c1	mol21382	Cc1cc(OCC/C=N/N=C(N)N)cc(OS(=O)(=O)c2ccccc2Cl)c1