pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.13	Datawarrior	1	0	CC[NH+](CC)CC(=O)Nc1ccc(C)cc1	CCN(CC)CC(=O)Nc1ccc(C)cc1	mol14447	CCN(CC)CC(=O)Nc1ccc(C)cc1
8.1300001	OCHEM	1	0	CC[NH+](CC)CC(=O)Nc1ccc(C)cc1	CCN(CC)CC(=O)Nc1ccc(C)cc1	mol14447	CCN(CC)CC(=O)Nc1ccc(C)cc1
8.13000011444092	QSARToolbox	1	0	CC[NH+](CC)CC(=O)Nc1ccc(C)cc1	CCN(CC)CC(=O)Nc1ccc(C)cc1	mol14447	CCN(CC)CC(=O)Nc1ccc(C)cc1
8.17000007629395	QSARToolbox	1	0	CC[NH+](CC)CC(=O)Nc1ccc(C)cc1	CCN(CC)CC(=O)Nc1ccc(C)cc1	mol14447	CCN(CC)CC(=O)Nc1ccc(C)cc1