pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.277	IUPAC digitized pKa	1	0	C[C@H](O)C[NH3+]	C[C@H](O)CN	mol5868	CC(O)CN
9.937	IUPAC digitized pKa	1	0	C[C@H](O)C[NH3+]	C[C@H](O)CN	mol5868	CC(O)CN
9.619	IUPAC digitized pKa	1	0	C[C@H](O)C[NH3+]	C[C@H](O)CN	mol5868	CC(O)CN
9.324	IUPAC digitized pKa	1	0	C[C@H](O)C[NH3+]	C[C@H](O)CN	mol5868	CC(O)CN
9.046	IUPAC digitized pKa	1	0	C[C@H](O)C[NH3+]	C[C@H](O)CN	mol5868	CC(O)CN
8.787	IUPAC digitized pKa	1	0	C[C@H](O)C[NH3+]	C[C@H](O)CN	mol5868	CC(O)CN
8.541	IUPAC digitized pKa	1	0	C[C@H](O)C[NH3+]	C[C@H](O)CN	mol5868	CC(O)CN
9.47	AttenGpKa training set	1	0	C[C@H](O)C[NH3+]	C[C@H](O)CN	mol5868	CC(O)CN