pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.4099998	OCHEM	0	-1	COC(=O)C[C@H]1[C@H]([C@H](C)O)C[NH2+][C@H]1C(=O)[O-]	COC(=O)C[C@H]1[C@H]([C@H](C)O)CN[C@H]1C(=O)[O-]	mol32282	COC(=O)CC1C(C(=O)O)NCC1C(C)O
2.4000001	OCHEM	1	0	COC(=O)C[C@H]1[C@H]([C@H](C)O)C[NH2+][C@H]1C(=O)O,COC(=O)C[C@H]1[C@H]([C@H](C)O)CN[C@H]1C(O)=[OH+]	COC(=O)C[C@H]1[C@H]([C@H](C)O)C[NH2+][C@H]1C(=O)[O-]	mol32282	COC(=O)CC1C(C(=O)O)NCC1C(C)O