[
  {
    "molid": "mol4914",
    "smiles": "Nc1c2[nH]cnc2nc[n+]1[O-]",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Nc1c2[nH]cnc2nc[n+]1[O-]",
        "std_free_energy": -7.271739959716797,
        "relative_population": 0.9999940277871758
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "Nc1c2[nH]cnc2nc[n+]1O",
        "std_free_energy": 2.1452274322509766,
        "relative_population": 0.9395538816226918
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Nc1c2[n-]cnc2nc[n+]1[O-]",
        "std_free_energy": -1.2958126068115234,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 2.5999999,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]