[
  {
    "molid": "mol14708",
    "smiles": "Nc1ccc(/C=C/c2cc(N)c3ccccc3n2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1ccc(/C=C/c2cc(N)c3ccccc3n2)cc1",
        "std_free_energy": -3.7083382606506348,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Nc1ccc(/C=C/c2cc([NH3+])c3ccccc3n2)cc1",
        "std_free_energy": -10.124248504638672,
        "relative_population": 0.5114255797059705
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Nc1ccc(/C=C/c2cc(N)c3ccccc3[nH+]2)cc1",
        "std_free_energy": -9.806107521057129,
        "relative_population": 0.37206221949855633
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Nc1cc(/C=C/c2ccc([NH3+])cc2)nc2ccccc12",
        "std_free_energy": -8.645042419433594,
        "relative_population": 0.11651220079547327
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.5,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]