[
  {
    "molid": "mol1395",
    "smiles": "Cc1cc2cccc(O)c2nc1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc2cccc(O)c2nc1C",
        "std_free_energy": -5.476559638977051,
        "relative_population": 0.9273831092149444
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1cc2cccc([O-])c2[nH+]c1C",
        "std_free_energy": -2.9293904304504395,
        "relative_population": 0.07261689078505575
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cc2cccc(O)c2[nH+]c1C",
        "std_free_energy": -4.145109176635742,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cc2cccc([O-])c2nc1C",
        "std_free_energy": 3.2845029830932617,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.2,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 10.1999998092651,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 5.87,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 5.86,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 5.8600001,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]