pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.12	IUPAC digitized pKa	1	0	CC[NH+](CC)CCOC(=O)c1ccc(Br)cc1	CCN(CC)CCOC(=O)c1ccc(Br)cc1	mol1127	CCN(CC)CCOC(=O)c1ccc(Br)cc1
6.07999992370606	QSARToolbox	1	0	CC[NH+](CC)CCOC(=O)c1ccc(Br)cc1	CCN(CC)CCOC(=O)c1ccc(Br)cc1	mol1127	CCN(CC)CCOC(=O)c1ccc(Br)cc1