pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.07999992370605	QSARToolbox	3	2	COc1ccc(C[NH2+]CCN(Cc2cccc[nH+]2)Cc2cccc[nH+]2)cc1OC,COc1ccc(C[NH2+]CC[NH+](Cc2ccccn2)Cc2cccc[nH+]2)cc1OC,COc1ccc(CNCC[NH+](Cc2cccc[nH+]2)Cc2cccc[nH+]2)cc1OC	COc1ccc(C[NH2+]CC[NH+](Cc2ccccn2)Cc2ccccn2)cc1OC,COc1ccc(C[NH2+]CCN(Cc2ccccn2)Cc2cccc[nH+]2)cc1OC	mol34389	COc1ccc(CNCCN(Cc2ccccn2)Cc2ccccn2)cc1OC