[
  {
    "molid": "mol14030",
    "smiles": "c1ccc(-c2ccn[nH]2)nc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1ccc(-c2ccn[nH]2)nc1",
        "std_free_energy": -7.387866973876953,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1ccc(-c2cc[nH+][nH]2)nc1",
        "std_free_energy": -1.7802618741989136,
        "relative_population": 0.42877898598797076
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "c1ccc(-c2ccn[nH]2)[nH+]c1",
        "std_free_energy": -2.067096471786499,
        "relative_population": 0.5712210140120292
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "c1ccc(-c2cc[nH+][nH]2)[nH+]c1",
        "std_free_energy": 15.227678298950195,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.46,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 4.46000003814697,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": -1.1,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "Datawarrior"
      }
    ]
  }
]