pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.3	Baltruschat ChEMBL	0	-1	O=C([O-])[C@@H]1CC[NH2+]C[C@H]1O	O=C([O-])[C@@H]1CCNC[C@H]1O	mol19444	O=C(O)[C@@H]1CCNC[C@H]1O
3.6	Baltruschat ChEMBL	1	0	O=C(O)[C@@H]1CC[NH2+]C[C@H]1O	O=C([O-])[C@@H]1CC[NH2+]C[C@H]1O	mol19444	O=C(O)[C@@H]1CCNC[C@H]1O