[
  {
    "molid": "mol1573",
    "smiles": "O[C@H](c1ccccc1)[C@@H]1CCCCN1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O[C@H](c1ccccc1)[C@@H]1CCCCN1",
        "std_free_energy": -1.7279731035232544,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O[C@H](c1ccccc1)[C@@H]1CCCC[NH2+]1",
        "std_free_energy": -9.885200500488281,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.57,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Hunt"
      }
    ]
  }
]