pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.14	Datawarrior	0	-1	O=C([O-])[C@]12C[NH2+]CC[C@H]1O2	O=C([O-])[C@]12CNCC[C@H]1O2	mol13196	O=C(O)[C@]12CNCC[C@H]1O2
2.63	Datawarrior	1	0	O=C(O)[C@]12C[NH2+]CC[C@H]1O2	O=C([O-])[C@]12C[NH2+]CC[C@H]1O2	mol13196	O=C(O)[C@]12CNCC[C@H]1O2