pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.55	Datawarrior	1	0	CC[C@@H](CO)[NH2+]Cl	CC[C@@H](CO)NCl	mol15995	CCC(CO)NCl
1.54999995231628	QSARToolbox	1	0	CC[C@@H](CO)[NH2+]Cl	CC[C@@H](CO)NCl	mol15995	CCC(CO)NCl