[
  {
    "molid": "mol12850",
    "smiles": "Cc1ccn(-c2ccccn2)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccn(-c2ccccn2)n1",
        "std_free_energy": -15.295899391174316,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccn(-c2ccccn2)[nH+]1",
        "std_free_energy": -1.9783897399902344,
        "relative_population": 0.5246636214028668
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1ccn(-c2cccc[nH+]2)n1",
        "std_free_energy": -1.879655122756958,
        "relative_population": 0.47533637859713324
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "Cc1ccn(-c2cccc[nH+]2)[nH+]1",
        "std_free_energy": 21.374553680419922,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.36,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": -3.9,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "Datawarrior"
      }
    ]
  }
]