pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.07999992370606	QSARToolbox	1	0	CCOc1ccc(C(=O)OCC[NH+](CC)CC)cc1	CCOc1ccc(C(=O)OCCN(CC)CC)cc1	mol33765	CCOc1ccc(C(=O)OCCN(CC)CC)cc1
8.22999954223633	QSARToolbox	1	0	CCOc1ccc(C(=O)OCC[NH+](CC)CC)cc1	CCOc1ccc(C(=O)OCCN(CC)CC)cc1	mol33765	CCOc1ccc(C(=O)OCCN(CC)CC)cc1
8.89000034332275	QSARToolbox	1	0	CCOc1ccc(C(=O)OCC[NH+](CC)CC)cc1	CCOc1ccc(C(=O)OCCN(CC)CC)cc1	mol33765	CCOc1ccc(C(=O)OCCN(CC)CC)cc1