[
  {
    "molid": "mol1640",
    "smiles": "Nc1cccc(-c2cc(=O)c3c(ccc4ccccc43)o2)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1cccc(-c2cc(=O)c3c(ccc4ccccc43)o2)c1",
        "std_free_energy": -5.683223724365234,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]c1cccc(-c2cc(=O)c3c(ccc4ccccc43)o2)c1",
        "std_free_energy": 0.37236568331718445,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.23,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Hunt"
      }
    ]
  }
]