[
  {
    "molid": "mol15258",
    "smiles": "Cc1cccc(CCCCCCCC(=O)O)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cccc(CCCCCCCC(=O)[O-])[nH+]1",
        "std_free_energy": -6.762267589569092,
        "relative_population": 0.946900487982333
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1cccc(CCCCCCCC(=O)O)n1",
        "std_free_energy": -3.8812413215637207,
        "relative_population": 0.053099512017667105
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cccc(CCCCCCCC(=O)O)[nH+]1",
        "std_free_energy": -2.012138843536377,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cccc(CCCCCCCC(=O)[O-])n1",
        "std_free_energy": -5.491047382354736,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 4.6,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 4.5999999,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]