[
  {
    "molid": "mol14034",
    "smiles": "c1ccc(-n2cccn2)nc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1ccc(-n2cccn2)nc1",
        "std_free_energy": -17.310333251953125,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1ccc(-n2ccc[nH+]2)nc1",
        "std_free_energy": -2.9948158264160156,
        "relative_population": 0.4506914940203366
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "c1ccc(-n2cccn2)[nH+]c1",
        "std_free_energy": -3.192692995071411,
        "relative_population": 0.5493085059796634
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "c1ccc(-n2ccc[nH+]2)[nH+]c1",
        "std_free_energy": 21.384044647216797,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.07,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 1.0700001,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": -4.8,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "Datawarrior"
      }
    ]
  }
]