[
  {
    "molid": "mol7918",
    "smiles": "CNc1ncc2cc(OC)ccc2n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CNc1ncc2cc(OC)ccc2n1",
        "std_free_energy": -6.498706817626953,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CNc1nc2ccc(OC)cc2c[nH+]1",
        "std_free_energy": -1.5781350135803223,
        "relative_population": 0.317670145617297
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[NH2+]c1ncc2cc(OC)ccc2n1",
        "std_free_energy": -1.483903408050537,
        "relative_population": 0.2891026920972793
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "CNc1ncc2cc(OC)ccc2[nH+]1",
        "std_free_energy": -1.7915089130401611,
        "relative_population": 0.3932271622854237
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.93,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]