[
  {
    "molid": "mol35116",
    "smiles": "C[C@]1(C(=O)O)C[C@@](C)(C(=O)O)C[C@@](C)(C(=O)N2CCCC2)C1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@]1(C(=O)[O-])C[C@@](C)(C(=O)O)C[C@@](C)(C(=O)N2CCCC2)C1",
        "std_free_energy": -8.171035766601562,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "C[C@]1(C(=O)[O-])C[C@@](C)(C(=O)[O-])C[C@@](C)(C(=O)N2CCCC2)C1",
        "std_free_energy": -8.82864761352539,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.90000009536743,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]