[
  {
    "molid": "mol8010",
    "smiles": "Cc1cc(C)n2cc(C)nc2n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(C)n2cc(C)nc2n1",
        "std_free_energy": -5.503299713134766,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cn2c(C)cc(C)[nH+]c2n1",
        "std_free_energy": -3.0746865272521973,
        "relative_population": 0.38176626501663075
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cc(C)n2cc(C)[nH+]c2n1",
        "std_free_energy": -3.5567445755004883,
        "relative_population": 0.6182337349833693
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.07,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]