pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.5	AttenGpKa training set	1	0	Nc1ccc2[nH+]c3cc(Cl)ccc3cc2c1,[NH3+]c1ccc2nc3cc(Cl)ccc3cc2c1	Nc1ccc2nc3cc(Cl)ccc3cc2c1	mol26669	Nc1ccc2nc3cc(Cl)ccc3cc2c1