[
  {
    "molid": "mol33243",
    "smiles": "O=C(O)C1CCCNC1C(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C([O-])[C@@H]1CCC[NH2+][C@H]1C(=O)O",
        "std_free_energy": -7.64327335357666,
        "relative_population": 0.2575241157389598
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "O=C(O)[C@@H]1CCC[NH2+][C@H]1C(=O)[O-]",
        "std_free_energy": -8.702079772949219,
        "relative_population": 0.7424234653885834
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=C(O)[C@@H]1CCC[NH2+][C@H]1C(=O)O",
        "std_free_energy": 1.567659616470337,
        "relative_population": 0.9277183036841418
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "O=C(O)[C@@H]1NCCC[C@H]1C(O)=[OH+]",
        "std_free_energy": 4.280212879180908,
        "relative_population": 0.06157000818922643
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.43,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]