[
  {
    "molid": "mol26749",
    "smiles": "Cc1cc2c(-c3ccccc3)c3cc(C)c(N)cc3nc2cc1N",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc2c(-c3ccccc3)c3cc(C)c(N)cc3nc2cc1N",
        "std_free_energy": -4.895096778869629,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cc2c(-c3ccccc3)c3cc(C)c([NH3+])cc3nc2cc1N",
        "std_free_energy": -10.9437837600708,
        "relative_population": 0.1281435361315336
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cc2c(-c3ccccc3)c3cc(C)c(N)cc3[nH+]c2cc1N",
        "std_free_energy": -12.861257553100586,
        "relative_population": 0.8718564638684664
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.6,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]