pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.3	Datawarrior	1	0	COCC[NH2+]c1ccc(Cl)cc1	COCCNc1ccc(Cl)cc1	mol12691	COCCNc1ccc(Cl)cc1
3.29999995231628	QSARToolbox	1	0	COCC[NH2+]c1ccc(Cl)cc1	COCCNc1ccc(Cl)cc1	mol12691	COCCNc1ccc(Cl)cc1