pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.7	Datawarrior	1	0	C[C@H](O)C[NH+](C)C[C@@H](C)O	C[C@H](O)CN(C)C[C@@H](C)O	mol13123	CC(O)CN(C)CC(C)O
8.6999998	OCHEM	1	0	C[C@H](O)C[NH+](C)C[C@@H](C)O	C[C@H](O)CN(C)C[C@@H](C)O	mol13123	CC(O)CN(C)CC(C)O