[
  {
    "molid": "mol13621",
    "smiles": "Cc1cc(N)cc[n+]1[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(N)cc[n+]1[O-]",
        "std_free_energy": -8.523946762084961,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cc(N)cc[n+]1O",
        "std_free_energy": -2.7163143157958984,
        "relative_population": 0.9958650031278561
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.1,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 4.0999999,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]