pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-2.7	OCHEM	3	2	CC[NH+](CC)c1ccc([NH+]=[NH+]c2ccc(C(=O)OC)cc2)cc1	CCN(CC)c1ccc([NH+]=[NH+]c2ccc(C(=O)OC)cc2)cc1	mol33579	CCN(CC)c1ccc(N=Nc2ccc(C(=O)OC)cc2)cc1
-2.70000004768372	QSARToolbox	3	2	CC[NH+](CC)c1ccc([NH+]=[NH+]c2ccc(C(=O)OC)cc2)cc1	CCN(CC)c1ccc([NH+]=[NH+]c2ccc(C(=O)OC)cc2)cc1	mol33579	CCN(CC)c1ccc(N=Nc2ccc(C(=O)OC)cc2)cc1