[
  {
    "molid": "mol37767",
    "smiles": "Oc1ccc(Cc2ccccn2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Oc1ccc(Cc2ccccn2)cc1",
        "std_free_energy": -5.082602024078369,
        "relative_population": 0.9777985356027283
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Oc1ccc(Cc2cccc[nH+]2)cc1",
        "std_free_energy": -4.370114803314209,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1ccc(Cc2ccccn2)cc1",
        "std_free_energy": 2.9340312480926514,
        "relative_population": 0.8400938120368933
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Oc1ccc([CH-]c2ccccn2)cc1",
        "std_free_energy": 4.592957496643066,
        "relative_population": 0.15990618796310668
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.6099996566772,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 4.42999982833862,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]