pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.52	IUPAC digitized pKa	1	0	CC[C@H]([NH3+])CO	CC[C@H](N)CO	mol3210	CCC(N)CO
9.55	IUPAC digitized pKa	1	0	CC[C@H]([NH3+])CO	CC[C@H](N)CO	mol3210	CCC(N)CO
10.353	IUPAC digitized pKa	1	0	CC[C@H]([NH3+])CO	CC[C@H](N)CO	mol3210	CCC(N)CO
9.999	IUPAC digitized pKa	1	0	CC[C@H]([NH3+])CO	CC[C@H](N)CO	mol3210	CCC(N)CO
9.672	IUPAC digitized pKa	1	0	CC[C@H]([NH3+])CO	CC[C@H](N)CO	mol3210	CCC(N)CO
9.365	IUPAC digitized pKa	1	0	CC[C@H]([NH3+])CO	CC[C@H](N)CO	mol3210	CCC(N)CO
9.077	IUPAC digitized pKa	1	0	CC[C@H]([NH3+])CO	CC[C@H](N)CO	mol3210	CCC(N)CO
8.808	IUPAC digitized pKa	1	0	CC[C@H]([NH3+])CO	CC[C@H](N)CO	mol3210	CCC(N)CO
8.555	IUPAC digitized pKa	1	0	CC[C@H]([NH3+])CO	CC[C@H](N)CO	mol3210	CCC(N)CO
9.53	Datawarrior	1	0	CC[C@H]([NH3+])CO	CC[C@H](N)CO	mol3210	CCC(N)CO
9.5299997	OCHEM	1	0	CC[C@H]([NH3+])CO	CC[C@H](N)CO	mol3210	CCC(N)CO
9.535	OCHEM	1	0	CC[C@H]([NH3+])CO	CC[C@H](N)CO	mol3210	CCC(N)CO