[
  {
    "molid": "mol13825",
    "smiles": "Nc1cccc(-c2ccccn2)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1cccc(-c2ccccn2)n1",
        "std_free_energy": -6.191678047180176,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]c1cccc(-c2ccccn2)n1",
        "std_free_energy": -3.307898998260498,
        "relative_population": 0.26008899008649516
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Nc1cccc(-c2ccccn2)[nH+]1",
        "std_free_energy": -3.813662052154541,
        "relative_population": 0.4312926646234061
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Nc1cccc(-c2cccc[nH+]2)n1",
        "std_free_energy": -3.478980541229248,
        "relative_population": 0.3086183452900986
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.8,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 5.8000002,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 5.80000019073486,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]