[
  {
    "molid": "mol18576",
    "smiles": "Oc1cccc(/C=N/NC(=S)NC2CCCCC2)c1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1cccc(/C=N/NC(=S)NC2CCCCC2)c1",
        "std_free_energy": -0.22994104027748108,
        "relative_population": 0.8220477173095644
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Oc1cccc(/C=N/[N-]C(=S)NC2CCCCC2)c1",
        "std_free_energy": 1.3003419637680054,
        "relative_population": 0.17795228269043567
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "[O-]c1cccc(/C=N/[N-]C(=S)NC2CCCCC2)c1",
        "std_free_energy": 9.311527252197266,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.2,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]