[
  {
    "molid": "mol32426",
    "smiles": "NC1CCCC(C(=O)O)C1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[NH3+][C@H]1CCC[C@H](C(=O)[O-])C1",
        "std_free_energy": -11.66549015045166,
        "relative_population": 0.9999893895020366
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+][C@H]1CCC[C@H](C(=O)O)C1",
        "std_free_energy": -5.448773384094238,
        "relative_population": 0.9965102158722198
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.7750001,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 4.2,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]