pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.23	SAMPL8	1	0	O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl.[Na+]	O=C([O-])Cc1ccccc1Nc1c(Cl)cccc1Cl.[Na+]	SAMPL8-5	O=C([O-])Cc1ccccc1Nc1c(Cl)cccc1Cl.[Na+]