[
  {
    "molid": "mol4580",
    "smiles": "Nc1cccc2[nH]ncc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1cccc2[nH]ncc12",
        "std_free_energy": -7.686008453369141,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]c1cccc2[nH]ncc12",
        "std_free_energy": 0.10332262516021729,
        "relative_population": 0.6813959431637291
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Nc1cccc2[nH][nH+]cc12",
        "std_free_energy": 0.8635170459747314,
        "relative_population": 0.3186040568362709
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.26,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 3.29,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]