[
  {
    "molid": "mol1280",
    "smiles": "CNc1cccc(C)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CNc1cccc(C)n1",
        "std_free_energy": -4.419105052947998,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CNc1cccc(C)[nH+]1",
        "std_free_energy": -6.377988815307617,
        "relative_population": 0.8122673789349184
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[NH2+]c1cccc(C)n1",
        "std_free_energy": -4.913177967071533,
        "relative_population": 0.18773262106508173
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.84,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Hunt"
      }
    ]
  }
]