[
  {
    "molid": "mol19944",
    "smiles": "C1CC(c2nnn[nH]2)CCN1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C1CC(c2nnn[nH]2)CCN1",
        "std_free_energy": -6.904371738433838,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C1CC(c2nnn[nH]2)CC[NH2+]1",
        "std_free_energy": -4.1823015213012695,
        "relative_population": 0.9940112847561413
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C1CC(c2nnn[n-]2)CCN1",
        "std_free_energy": -0.3439670205116272,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      },
      {
        "pka_value": 4.3,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]