[
  {
    "molid": "mol13932",
    "smiles": "CCCCc1ccc(C(=O)O)nc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCc1ccc(C(=O)O)nc1",
        "std_free_energy": -5.483431339263916,
        "relative_population": 0.19643541972304635
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CCCCc1ccc(C(=O)[O-])[nH+]c1",
        "std_free_energy": -6.892155170440674,
        "relative_population": 0.8035645802769537
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCCc1ccc(C(=O)[O-])nc1",
        "std_free_energy": -9.414968490600586,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 5.6999998,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]