[
  {
    "molid": "mol16051",
    "smiles": "NP(=O)(O)N(CCCl)CCCl",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "N[P@](=O)(O)N(CCCl)CCCl",
        "std_free_energy": -3.3934836387634277,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "N[P@](=O)([O-])N(CCCl)CCCl",
        "std_free_energy": -10.876778602600098,
        "relative_population": 0.9999886572156368
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.9,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 4.75,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      },
      {
        "pka_value": 4.58,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      },
      {
        "pka_value": 4.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]