pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.6	Datawarrior	0	-1	C=C(C)[C@@H]1CN(C(C)=O)[C@H](C(=O)OC)[C@@H]1CC(=O)O	C=C(C)[C@@H]1CN(C(C)=O)[C@H](C(=O)OC)[C@@H]1CC(=O)[O-]	mol15583	C=C(C)[C@@H]1CN(C(C)=O)[C@H](C(=O)OC)[C@@H]1CC(=O)O