[
  {
    "molid": "mol12380",
    "smiles": "Nc1ccncc1F",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1ccncc1F",
        "std_free_energy": -6.697595596313477,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Nc1cc[nH+]cc1F",
        "std_free_energy": -2.1945650577545166,
        "relative_population": 0.5661575645181275
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[NH3+]c1ccncc1F",
        "std_free_energy": -1.9283740520477295,
        "relative_population": 0.43384243548187246
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.77,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]