pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.46	IUPAC digitized pKa	1	0	C[NH+](C)Cl	CN(C)Cl	mol850	CN(C)Cl
0.46000000834465	QSARToolbox	1	0	C[NH+](C)Cl	CN(C)Cl	mol850	CN(C)Cl