[
  {
    "molid": "mol26582",
    "smiles": "c1ccc2c(c1)[nH]c1cnccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1ccc2c(c1)[nH]c1cnccc12",
        "std_free_energy": -5.813268661499023,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1ccc2c(c1)[nH]c1c[nH+]ccc12",
        "std_free_energy": -5.1404314041137695,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "c1ccc2c(c1)[n-]c1cnccc12",
        "std_free_energy": 11.697250366210938,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 14.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 7.2,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]