[
  {
    "molid": "mol25688",
    "smiles": "C[n+]1cnccc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[n+]1cnccc1[O-]",
        "std_free_energy": -6.164478778839111,
        "relative_population": 0.999951024231391
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[n+]1c[nH+]ccc1[O-]",
        "std_free_energy": 6.169950008392334,
        "relative_population": 0.2584240288777704
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[n+]1cnccc1O",
        "std_free_energy": 5.115774154663086,
        "relative_population": 0.7415759711222296
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.84,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]