pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.0	Datawarrior	1	0	CC[NH+](CC)CC(=O)Nc1ccccc1	CCN(CC)CC(=O)Nc1ccccc1	mol14307	CCN(CC)CC(=O)Nc1ccccc1
8.02999973297119	QSARToolbox	1	0	CC[NH+](CC)CC(=O)Nc1ccccc1	CCN(CC)CC(=O)Nc1ccccc1	mol14307	CCN(CC)CC(=O)Nc1ccccc1
8.11999988555908	QSARToolbox	1	0	CC[NH+](CC)CC(=O)Nc1ccccc1	CCN(CC)CC(=O)Nc1ccccc1	mol14307	CCN(CC)CC(=O)Nc1ccccc1