pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.39	Datawarrior	1	0	C=CC(=O)NC(C)(C)CC[NH+](C)C	C=CC(=O)NC(C)(C)CCN(C)C	mol13692	C=CC(=O)NC(C)(C)CCN(C)C
9.3900003	OCHEM	1	0	C=CC(=O)NC(C)(C)CC[NH+](C)C	C=CC(=O)NC(C)(C)CCN(C)C	mol13692	C=CC(=O)NC(C)(C)CCN(C)C
9.39000034332275	QSARToolbox	1	0	C=CC(=O)NC(C)(C)CC[NH+](C)C	C=CC(=O)NC(C)(C)CCN(C)C	mol13692	C=CC(=O)NC(C)(C)CCN(C)C