pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.95	Datawarrior	1	0	CC[NH+](CC)CC(=O)Nc1ccccc1C	CCN(CC)CC(=O)Nc1ccccc1C	mol14444	CCN(CC)CC(=O)Nc1ccccc1C
7.9499998	OCHEM	1	0	CC[NH+](CC)CC(=O)Nc1ccccc1C	CCN(CC)CC(=O)Nc1ccccc1C	mol14444	CCN(CC)CC(=O)Nc1ccccc1C
8.0	QSARToolbox	1	0	CC[NH+](CC)CC(=O)Nc1ccccc1C	CCN(CC)CC(=O)Nc1ccccc1C	mol14444	CCN(CC)CC(=O)Nc1ccccc1C
7.80999994277954	QSARToolbox	1	0	CC[NH+](CC)CC(=O)Nc1ccccc1C	CCN(CC)CC(=O)Nc1ccccc1C	mol14444	CCN(CC)CC(=O)Nc1ccccc1C