[
  {
    "molid": "mol7986",
    "smiles": "Cn1cnc2cc(Cl)ncc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cn1cnc2cc(Cl)ncc21",
        "std_free_energy": -7.127130031585693,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cn1c[nH+]c2cc(Cl)ncc21",
        "std_free_energy": 0.7623147964477539,
        "relative_population": 0.7036498777223953
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cn1cnc2cc(Cl)[nH+]cc21",
        "std_free_energy": 1.6270540952682495,
        "relative_population": 0.2963501222776047
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "Cn1c[nH+]c2cc(Cl)[nH+]cc21",
        "std_free_energy": 12.637720108032227,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.74,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": -1.74,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]