[
  {
    "molid": "mol13134",
    "smiles": "N[C@@H](C(=O)O)[C@H](O)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[NH3+][C@@H](C(=O)O)[C@H](O)C(=O)[O-]",
        "std_free_energy": -7.0510735511779785,
        "relative_population": 0.32369307466782793
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[NH3+][C@@H](C(=O)[O-])[C@H](O)C(=O)O",
        "std_free_energy": -7.787389278411865,
        "relative_population": 0.6759448525489988
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[NH3+][C@@H](C(=O)[O-])[C@H](O)C(=O)[O-]",
        "std_free_energy": -14.343131065368652,
        "relative_population": 0.9973639818269908
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "N[C@@H](C(=O)[O-])[C@H](O)C(=O)[O-]",
        "std_free_energy": -9.286849975585938,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.54999995231628,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 9.0,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Datawarrior"
      }
    ]
  }
]