[
  {
    "molid": "mol13934",
    "smiles": "C[N+](C)(C)Cc1cccc(O)c1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[N+](C)(C)Cc1cccc([O-])c1O",
        "std_free_energy": -4.047337055206299,
        "relative_population": 0.5071868714776012
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[N+](C)(C)Cc1cccc(O)c1[O-]",
        "std_free_energy": -4.018587589263916,
        "relative_population": 0.4928131285223988
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[N+](C)(C)Cc1cccc(O)c1O",
        "std_free_energy": -8.438820838928223,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.1,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 8.1000004,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 8.10000038146973,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]