pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.0	Datawarrior	1	0	C[C@@H](O)[C@H](CCC=O)O[C@H]1O[C@H](C)[C@@H]([NH+](C)C)[C@H](O)[C@H]1O	C[C@@H](O)[C@H](CCC=O)O[C@H]1O[C@H](C)[C@@H](N(C)C)[C@H](O)[C@H]1O	mol15420	C[C@@H](O)[C@H](CCC=O)O[C@H]1O[C@H](C)[C@@H](N(C)C)[C@H](O)[C@H]1O