pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.5	QSARToolbox	1	0	CCCCOc1cc(C(=O)OCC[NH+](CC)CC)ccc1N	CCCCOc1cc(C(=O)OCCN(CC)CC)ccc1N	mol33771	CCCCOc1cc(C(=O)OCCN(CC)CC)ccc1N
1.89999997615814	QSARToolbox	2	1	CCCCOc1cc(C(=O)OCC[NH+](CC)CC)ccc1[NH3+],CCCCOc1cc(C(=[OH+])OCC[NH+](CC)CC)ccc1N	CCCCOc1cc(C(=O)OCC[NH+](CC)CC)ccc1N	mol33771	CCCCOc1cc(C(=O)OCCN(CC)CC)ccc1N