[
  {
    "molid": "mol20203",
    "smiles": "Ic1ccccc1Nc1c2ccccc2nc2ccccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Ic1ccccc1Nc1c2ccccc2nc2ccccc12",
        "std_free_energy": -4.705667018890381,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Ic1ccccc1[NH2+]c1c2ccccc2nc2ccccc12",
        "std_free_energy": -7.372641086578369,
        "relative_population": 0.4437588405717522
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Ic1ccccc1Nc1c2ccccc2[nH+]c2ccccc12",
        "std_free_energy": -7.598561763763428,
        "relative_population": 0.5562411594282478
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.47,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]