[
  {
    "molid": "mol13606",
    "smiles": "O=C(O)c1cnccn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)c1cnccn1",
        "std_free_energy": -5.829018592834473,
        "relative_population": 0.9818861597592258
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=C(O)c1c[nH+]ccn1",
        "std_free_energy": 11.775288581848145,
        "relative_population": 0.4729660413365178
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "O=C(O)c1cncc[nH+]1",
        "std_free_energy": 11.667125701904297,
        "relative_population": 0.5269925815272534
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])c1cnccn1",
        "std_free_energy": -14.99478530883789,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 2.9,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      },
      {
        "pka_value": -0.7,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": -0.69999999,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]