pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.89	AttenGpKa training set	1	0	[NH3+]c1ccc(Cl)c(Cl)c1Cl	Nc1ccc(Cl)c(Cl)c1Cl	mol23869	Nc1ccc(Cl)c(Cl)c1Cl