pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.2	IUPAC digitized pKa	1	0	C=CC[NH+](C[C@H](C)O)C[C@H](C)O	C=CCN(C[C@H](C)O)C[C@H](C)O	mol3201	C=CCN(CC(C)O)CC(C)O
7.9	IUPAC digitized pKa	1	0	C=CC[NH+](C[C@H](C)O)C[C@H](C)O	C=CCN(C[C@H](C)O)C[C@H](C)O	mol3201	C=CCN(CC(C)O)CC(C)O
7.5	IUPAC digitized pKa	1	0	C=CC[NH+](C[C@H](C)O)C[C@H](C)O	C=CCN(C[C@H](C)O)C[C@H](C)O	mol3201	C=CCN(CC(C)O)CC(C)O
8.1999998	OCHEM	1	0	C=CC[NH+](C[C@H](C)O)C[C@H](C)O	C=CCN(C[C@H](C)O)C[C@H](C)O	mol3201	C=CCN(CC(C)O)CC(C)O