[
  {
    "molid": "mol14031",
    "smiles": "Cc1n[nH]c2c(N)cccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1n[nH]c2c(N)cccc12",
        "std_free_energy": -7.6317033767700195,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1n[nH]c2c([NH3+])cccc12",
        "std_free_energy": 0.28740131855010986,
        "relative_population": 0.6600168478777323
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1[nH+][nH]c2c(N)cccc12",
        "std_free_energy": 0.9507706165313721,
        "relative_population": 0.3399831521222677
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.18,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 3.1800001,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]