pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.72	Datawarrior	1	0	C[NH+](CO)c1ccccc1	CN(CO)c1ccccc1	mol13064	CN(CO)c1ccccc1
3.72000002861023	QSARToolbox	1	0	C[NH+](CO)c1ccccc1	CN(CO)c1ccccc1	mol13064	CN(CO)c1ccccc1