[
  {
    "molid": "mol7919",
    "smiles": "CNc1ncc2ccccc2n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CNc1ncc2ccccc2n1",
        "std_free_energy": -6.902573108673096,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CNc1ncc2ccccc2[nH+]1",
        "std_free_energy": -2.1928093433380127,
        "relative_population": 0.37024513401307263
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CNc1nc2ccccc2c[nH+]1",
        "std_free_energy": -2.0642735958099365,
        "relative_population": 0.32558695313373764
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "C[NH2+]c1ncc2ccccc2n1",
        "std_free_energy": -1.9962239265441895,
        "relative_population": 0.3041679128531898
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.97,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]