pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.61	Organic Oxygen Acids and Nitrogen Bases	1	0	CON=C(Cc1ccc[nH+]c1)c1ccc(Cl)cc1Cl,CO[NH+]=C(Cc1cccnc1)c1ccc(Cl)cc1Cl	CON=C(Cc1cccnc1)c1ccc(Cl)cc1Cl	mol21840	CON=C(Cc1cccnc1)c1ccc(Cl)cc1Cl