pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.56	OCHEM	1	0	COc1ccc(Cl)cc1[NH3+]	COc1ccc(Cl)cc1N	mol1651	COc1ccc(Cl)cc1N
3.55999994277954	QSARToolbox	1	0	COc1ccc(Cl)cc1[NH3+]	COc1ccc(Cl)cc1N	mol1651	COc1ccc(Cl)cc1N
3.473333333	AttenGpKa training set	1	0	COc1ccc(Cl)cc1[NH3+]	COc1ccc(Cl)cc1N	mol1651	COc1ccc(Cl)cc1N