[
  {
    "molid": "mol25146",
    "smiles": "Nc1ccc(/C=C/c2cccc(/C=C/c3ccc(N)cc3)n2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1ccc(/C=C/c2cccc(/C=C/c3ccc(N)cc3)n2)cc1",
        "std_free_energy": -5.547397613525391,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Nc1ccc(/C=C/c2cccc(/C=C/c3ccc([NH3+])cc3)n2)cc1",
        "std_free_energy": -3.2639591693878174,
        "relative_population": 0.38483837124164993
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Nc1ccc(/C=C/c2cccc(/C=C/c3ccc(N)cc3)[nH+]2)cc1",
        "std_free_energy": -3.733020782470703,
        "relative_population": 0.61516162875835
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.97,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]