pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.81	Organic Oxygen Acids and Nitrogen Bases	0	-1	Nc1ccc(O)c(-c2nc3cc(Cl)ccc3o2)c1	Nc1ccc([O-])c(-c2nc3cc(Cl)ccc3o2)c1	mol21722	Nc1ccc(O)c(-c2nc3cc(Cl)ccc3o2)c1
4.64	AttenGpKa training set	1	0	Nc1ccc(O)c(-c2[nH+]c3cc(Cl)ccc3o2)c1,[NH3+]c1ccc(O)c(-c2nc3cc(Cl)ccc3o2)c1	Nc1ccc(O)c(-c2nc3cc(Cl)ccc3o2)c1	mol21722	Nc1ccc(O)c(-c2nc3cc(Cl)ccc3o2)c1