pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.2906	IUPAC digitized pKa	1	0	OCC[NH2+]CC(O)O	OCCNCC(O)O	mol3145	OCCNCC(O)O
8.1734	IUPAC digitized pKa	1	0	OCC[NH2+]CC(O)O	OCCNCC(O)O	mol3145	OCCNCC(O)O
8.0674	IUPAC digitized pKa	1	0	OCC[NH2+]CC(O)O	OCCNCC(O)O	mol3145	OCCNCC(O)O
7.9632	IUPAC digitized pKa	1	0	OCC[NH2+]CC(O)O	OCCNCC(O)O	mol3145	OCCNCC(O)O
7.8611	IUPAC digitized pKa	1	0	OCC[NH2+]CC(O)O	OCCNCC(O)O	mol3145	OCCNCC(O)O
7.7624	IUPAC digitized pKa	1	0	OCC[NH2+]CC(O)O	OCCNCC(O)O	mol3145	OCCNCC(O)O
7.6661	IUPAC digitized pKa	1	0	OCC[NH2+]CC(O)O	OCCNCC(O)O	mol3145	OCCNCC(O)O
7.5707	IUPAC digitized pKa	1	0	OCC[NH2+]CC(O)O	OCCNCC(O)O	mol3145	OCCNCC(O)O
7.4773	IUPAC digitized pKa	1	0	OCC[NH2+]CC(O)O	OCCNCC(O)O	mol3145	OCCNCC(O)O
7.3875	IUPAC digitized pKa	1	0	OCC[NH2+]CC(O)O	OCCNCC(O)O	mol3145	OCCNCC(O)O
7.2992	IUPAC digitized pKa	1	0	OCC[NH2+]CC(O)O	OCCNCC(O)O	mol3145	OCCNCC(O)O
7.87	IUPAC digitized pKa	1	0	OCC[NH2+]CC(O)O	OCCNCC(O)O	mol3145	OCCNCC(O)O
7.77	IUPAC digitized pKa	1	0	OCC[NH2+]CC(O)O	OCCNCC(O)O	mol3145	OCCNCC(O)O
7.68	IUPAC digitized pKa	1	0	OCC[NH2+]CC(O)O	OCCNCC(O)O	mol3145	OCCNCC(O)O
7.82	IUPAC digitized pKa	1	0	OCC[NH2+]CC(O)O	OCCNCC(O)O	mol3145	OCCNCC(O)O
7.75	IUPAC digitized pKa	1	0	OCC[NH2+]CC(O)O	OCCNCC(O)O	mol3145	OCCNCC(O)O
7.92	IUPAC digitized pKa	1	0	OCC[NH2+]CC(O)O	OCCNCC(O)O	mol3145	OCCNCC(O)O