[
  {
    "molid": "mol7342",
    "smiles": "Cn1cc(I)cnc1=N",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cn1cc(I)cnc1=N",
        "std_free_energy": -3.99932861328125,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cn1cc(I)cnc1=[NH2+]",
        "std_free_energy": -4.436879634857178,
        "relative_population": 0.3011724331710466
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cn1cc(I)c[nH+]c1=N",
        "std_free_energy": -5.278600692749023,
        "relative_population": 0.6988275668289533
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.24,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]