[
  {
    "molid": "mol14779",
    "smiles": "CN1C[C@@H](C(=O)O)C[C@H]2c3cccc4[nH]cc(c34)C[C@@H]21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[NH+]1C[C@@H](C(=O)[O-])C[C@H]2c3cccc4[nH]cc(c34)C[C@@H]21",
        "std_free_energy": -11.651970863342285,
        "relative_population": 0.9996960313885169
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CN1C[C@@H](C(=O)[O-])C[C@H]2c3cccc4[nH]cc(c34)C[C@@H]21",
        "std_free_energy": -6.908786296844482,
        "relative_population": 0.9999999230849514
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.47,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]