[
  {
    "molid": "mol7610",
    "smiles": "Cc1nc(N)nc(O)n1",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "Cc1nc(N)nc(O)n1",
        "std_free_energy": -7.345143795013428,
        "relative_population": 0.9998206840492299
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1nc(N)[nH+]c(O)n1",
        "std_free_energy": 1.238165259361267,
        "relative_population": 0.13884693075730806
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1nc(N)nc(O)[nH+]1",
        "std_free_energy": 1.0940271615982056,
        "relative_population": 0.1603742596464062
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "Cc1nc([NH3+])nc(O)n1",
        "std_free_energy": 0.6705946922302246,
        "relative_population": 0.24492270620781093
      },
      {
        "id": "1_5",
        "charge": 1,
        "smiles": "Cc1nc(O)nc(N)[nH+]1",
        "std_free_energy": 0.04942256212234497,
        "relative_population": 0.45582766297637467
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1nc(N)nc([O-])n1",
        "std_free_energy": -0.8621342182159424,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.2,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 3.1,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]