01_Data_Exploration.ipynb

{
 "cells": [
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "# Drug Interactions Network Analysis\n",
    "### Part 1 - Data Exploraton\n",
    "#### Author: Kenneth Leung\n",
    "\n",
    "#### Data Sources:  \n",
    "- https://snap.stanford.edu/biodata/datasets/10001/10001-ChCh-Miner.html\n",
    "- https://github.com/snap-stanford/miner-data/tree/master/drugbank"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "___\n",
    "### 1. Import dependencies"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
       "<style>.container { width:100% !important; }</style>"
      ],
      "text/plain": [
       "<IPython.core.display.HTML object>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "import pandas as pd\n",
    "import numpy as np\n",
    "import re\n",
    "import zipfile\n",
    "import json\n",
    "from pyvis.network import Network\n",
    "import networkx as nx\n",
    "\n",
    "from collections import Counter\n",
    "from  itertools import combinations\n",
    "\n",
    "from IPython.core.display import display, HTML\n",
    "display(HTML(\"<style>.container { width:100% !important; }</style>\"))"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "___\n",
    "### 2. Data preparation"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "application/javascript": [
       "\n",
       "        if (window._pyforest_update_imports_cell) { window._pyforest_update_imports_cell('import os'); }\n",
       "    "
      ],
      "text/plain": [
       "<IPython.core.display.Javascript object>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "data": {
      "application/javascript": [
       "\n",
       "        if (window._pyforest_update_imports_cell) { window._pyforest_update_imports_cell('import os'); }\n",
       "    "
      ],
      "text/plain": [
       "<IPython.core.display.Javascript object>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "data": {
      "text/plain": [
       "['ChCh-Miner_durgbank-chem-chem.tsv',\n",
       " 'ChCh-Miner_durgbank-chem-chem.zip',\n",
       " 'ChChSe-Decagon_polypharmacy.csv',\n",
       " 'ChChSe-Decagon_polypharmacy.zip',\n",
       " 'ChSe-Decagon_monopharmacy.csv',\n",
       " 'ChSe-Decagon_monopharmacy.zip',\n",
       " 'CID_mapping.json',\n",
       " 'DB_mapping.json']"
      ]
     },
     "execution_count": 4,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "# Unzip all tar/zip files\n",
    "zip_files_list = [i for i in os.listdir('data') if i.endswith('.zip')]\n",
    "\n",
    "for file in zip_files_list:\n",
    "    with zipfile.ZipFile(f'data/{file}', 'r') as zip_ref:\n",
    "        zip_ref.extractall('data')\n",
    "\n",
    "os.listdir('data')"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "#### Drug Interactions (Drugbank)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "{'DB00005': 'Etanercept',\n",
       " 'DB00006': 'Bivalirudin',\n",
       " 'DB00007': 'Leuprolide',\n",
       " 'DB00008': 'Peginterferon alfa-2a',\n",
       " 'DB00009': 'Alteplase',\n",
       " 'DB00012': 'Darbepoetin alfa',\n",
       " 'DB00013': 'Urokinase',\n",
       " 'DB00014': 'Goserelin',\n",
       " 'DB00015': 'Reteplase',\n",
       " 'DB00016': 'Erythropoietin',\n",
       " 'DB00017': 'Salmon calcitonin',\n",
       " 'DB00018': 'Interferon alfa-n3',\n",
       " 'DB00019': 'Pegfilgrastim',\n",
       " 'DB00020': 'Sargramostim',\n",
       " 'DB00021': 'Secretin human',\n",
       " 'DB00022': 'Peginterferon alfa-2b',\n",
       " 'DB00023': 'Asparaginase Escherichia coli',\n",
       " 'DB00026': 'Anakinra',\n",
       " 'DB00028': 'Human immunoglobulin G',\n",
       " 'DB00029': 'Anistreplase',\n",
       " 'DB00030': 'Insulin human',\n",
       " 'DB00031': 'Tenecteplase',\n",
       " 'DB00033': 'Interferon gamma-1b',\n",
       " 'DB00035': 'Desmopressin',\n",
       " 'DB00036': 'Coagulation factor VIIa Recombinant Human',\n",
       " 'DB00039': 'Palifermin',\n",
       " 'DB00040': 'Glucagon',\n",
       " 'DB00041': 'Aldesleukin',\n",
       " 'DB00042': 'Botulinum toxin type B',\n",
       " 'DB00043': 'Omalizumab',\n",
       " 'DB00046': 'Insulin lispro',\n",
       " 'DB00047': 'Insulin glargine',\n",
       " 'DB00048': 'Collagenase clostridium histolyticum',\n",
       " 'DB00050': 'Cetrorelix',\n",
       " 'DB00051': 'Adalimumab',\n",
       " 'DB00052': 'Somatotropin',\n",
       " 'DB00054': 'Abciximab',\n",
       " 'DB00056': 'Gemtuzumab ozogamicin',\n",
       " 'DB00059': 'Pegaspargase',\n",
       " 'DB00060': 'Interferon beta-1a',\n",
       " 'DB00061': 'Pegademase',\n",
       " 'DB00063': 'Eptifibatide',\n",
       " 'DB00065': 'Infliximab',\n",
       " 'DB00068': 'Interferon beta-1b',\n",
       " 'DB00069': 'Interferon alfacon-1',\n",
       " 'DB00070': 'Hyaluronidase (ovine)',\n",
       " 'DB00072': 'Trastuzumab',\n",
       " 'DB00073': 'Rituximab',\n",
       " 'DB00074': 'Basiliximab',\n",
       " 'DB00078': 'Ibritumomab tiuxetan',\n",
       " 'DB00080': 'Daptomycin',\n",
       " 'DB00081': 'Tositumomab',\n",
       " 'DB00082': 'Pegvisomant',\n",
       " 'DB00083': 'Botulinum toxin type A',\n",
       " 'DB00085': 'Pancrelipase',\n",
       " 'DB00086': 'Streptokinase',\n",
       " 'DB00087': 'Alemtuzumab',\n",
       " 'DB00089': 'Capromab pendetide',\n",
       " 'DB00091': 'Cyclosporine',\n",
       " 'DB00098': 'Antithymocyte immunoglobulin (rabbit)',\n",
       " 'DB00099': 'Filgrastim',\n",
       " 'DB00100': 'Coagulation Factor IX (Recombinant)',\n",
       " 'DB00103': 'Agalsidase beta',\n",
       " 'DB00104': 'Octreotide',\n",
       " 'DB00105': 'Interferon alfa-2b',\n",
       " 'DB00107': 'Oxytocin',\n",
       " 'DB00108': 'Natalizumab',\n",
       " 'DB00109': 'Enfuvirtide',\n",
       " 'DB00110': 'Palivizumab',\n",
       " 'DB00112': 'Bevacizumab',\n",
       " 'DB00115': 'Vitamin B12',\n",
       " 'DB00120': 'Phenylalanine',\n",
       " 'DB00121': 'Biotin',\n",
       " 'DB00122': 'Choline',\n",
       " 'DB00126': 'Vitamin C',\n",
       " 'DB00130': 'L-Glutamine',\n",
       " 'DB00136': 'Calcitriol',\n",
       " 'DB00140': 'Riboflavin',\n",
       " 'DB00146': 'Calcifediol',\n",
       " 'DB00150': 'Tryptophan',\n",
       " 'DB00153': 'Ergocalciferol',\n",
       " 'DB00158': 'Folic acid',\n",
       " 'DB00159': 'Icosapent',\n",
       " 'DB00162': 'Vitamin A',\n",
       " 'DB00163': 'Vitamin E',\n",
       " 'DB00165': 'Pyridoxine',\n",
       " 'DB00166': 'Lipoic acid',\n",
       " 'DB00169': 'Vitamin D3',\n",
       " 'DB00170': 'Menadione',\n",
       " 'DB00173': 'Adenine',\n",
       " 'DB00175': 'Pravastatin',\n",
       " 'DB00176': 'Fluvoxamine',\n",
       " 'DB00177': 'Valsartan',\n",
       " 'DB00178': 'Ramipril',\n",
       " 'DB00180': 'Flunisolide',\n",
       " 'DB00181': 'Baclofen',\n",
       " 'DB00182': 'Amphetamine',\n",
       " 'DB00184': 'Nicotine',\n",
       " 'DB00185': 'Cevimeline',\n",
       " 'DB00186': 'Lorazepam',\n",
       " 'DB00187': 'Esmolol',\n",
       " 'DB00188': 'Bortezomib',\n",
       " 'DB00190': 'Carbidopa',\n",
       " 'DB00191': 'Phentermine',\n",
       " 'DB00193': 'Tramadol',\n",
       " 'DB00195': 'Betaxolol',\n",
       " 'DB00196': 'Fluconazole',\n",
       " 'DB00197': 'Troglitazone',\n",
       " 'DB00198': 'Oseltamivir',\n",
       " 'DB00199': 'Erythromycin',\n",
       " 'DB00200': 'Hydroxocobalamin',\n",
       " 'DB00201': 'Caffeine',\n",
       " 'DB00202': 'Succinylcholine',\n",
       " 'DB00203': 'Sildenafil',\n",
       " 'DB00204': 'Dofetilide',\n",
       " 'DB00205': 'Pyrimethamine',\n",
       " 'DB00206': 'Reserpine',\n",
       " 'DB00207': 'Azithromycin',\n",
       " 'DB00208': 'Ticlopidine',\n",
       " 'DB00209': 'Trospium',\n",
       " 'DB00210': 'Adapalene',\n",
       " 'DB00211': 'Midodrine',\n",
       " 'DB00213': 'Pantoprazole',\n",
       " 'DB00214': 'Torasemide',\n",
       " 'DB00215': 'Citalopram',\n",
       " 'DB00216': 'Eletriptan',\n",
       " 'DB00218': 'Moxifloxacin',\n",
       " 'DB00220': 'Nelfinavir',\n",
       " 'DB00222': 'Glimepiride',\n",
       " 'DB00223': 'Diflorasone',\n",
       " 'DB00224': 'Indinavir',\n",
       " 'DB00227': 'Lovastatin',\n",
       " 'DB00229': 'Cefotiam',\n",
       " 'DB00230': 'Pregabalin',\n",
       " 'DB00231': 'Temazepam',\n",
       " 'DB00232': 'Methyclothiazide',\n",
       " 'DB00233': 'Aminosalicylic acid',\n",
       " 'DB00234': 'Reboxetine',\n",
       " 'DB00235': 'Milrinone',\n",
       " 'DB00237': 'Butabarbital',\n",
       " 'DB00238': 'Nevirapine',\n",
       " 'DB00240': 'Alclometasone',\n",
       " 'DB00241': 'Butalbital',\n",
       " 'DB00242': 'Cladribine',\n",
       " 'DB00243': 'Ranolazine',\n",
       " 'DB00244': 'Mesalazine',\n",
       " 'DB00245': 'Benzatropine',\n",
       " 'DB00246': 'Ziprasidone',\n",
       " 'DB00248': 'Cabergoline',\n",
       " 'DB00250': 'Dapsone',\n",
       " 'DB00251': 'Terconazole',\n",
       " 'DB00252': 'Phenytoin',\n",
       " 'DB00254': 'Doxycycline',\n",
       " 'DB00255': 'Diethylstilbestrol',\n",
       " 'DB00257': 'Clotrimazole',\n",
       " 'DB00258': 'Calcium acetate',\n",
       " 'DB00259': 'Sulfanilamide',\n",
       " 'DB00260': 'Cycloserine',\n",
       " 'DB00261': 'Anagrelide',\n",
       " 'DB00262': 'Carmustine',\n",
       " 'DB00263': 'Sulfisoxazole',\n",
       " 'DB00264': 'Metoprolol',\n",
       " 'DB00266': 'Dicoumarol',\n",
       " 'DB00267': 'Cefmenoxime',\n",
       " 'DB00268': 'Ropinirole',\n",
       " 'DB00269': 'Chlorotrianisene',\n",
       " 'DB00270': 'Isradipine',\n",
       " 'DB00271': 'Diatrizoate',\n",
       " 'DB00273': 'Topiramate',\n",
       " 'DB00274': 'Cefmetazole',\n",
       " 'DB00275': 'Olmesartan',\n",
       " 'DB00276': 'Amsacrine',\n",
       " 'DB00277': 'Theophylline',\n",
       " 'DB00278': 'Argatroban',\n",
       " 'DB00279': 'Liothyronine',\n",
       " 'DB00280': 'Disopyramide',\n",
       " 'DB00281': 'Lidocaine',\n",
       " 'DB00282': 'Pamidronic acid',\n",
       " 'DB00283': 'Clemastine',\n",
       " 'DB00284': 'Acarbose',\n",
       " 'DB00285': 'Venlafaxine',\n",
       " 'DB00287': 'Travoprost',\n",
       " 'DB00288': 'Amcinonide',\n",
       " 'DB00289': 'Atomoxetine',\n",
       " 'DB00290': 'Bleomycin',\n",
       " 'DB00291': 'Chlorambucil',\n",
       " 'DB00293': 'Raltitrexed',\n",
       " 'DB00294': 'Etonogestrel',\n",
       " 'DB00295': 'Morphine',\n",
       " 'DB00296': 'Ropivacaine',\n",
       " 'DB00297': 'Bupivacaine',\n",
       " 'DB00300': 'Tenofovir disoproxil',\n",
       " 'DB00301': 'Flucloxacillin',\n",
       " 'DB00302': 'Tranexamic acid',\n",
       " 'DB00303': 'Ertapenem',\n",
       " 'DB00304': 'Desogestrel',\n",
       " 'DB00305': 'Mitomycin',\n",
       " 'DB00307': 'Bexarotene',\n",
       " 'DB00308': 'Ibutilide',\n",
       " 'DB00309': 'Vindesine',\n",
       " 'DB00310': 'Chlorthalidone',\n",
       " 'DB00311': 'Ethoxzolamide',\n",
       " 'DB00312': 'Pentobarbital',\n",
       " 'DB00313': 'Valproic acid',\n",
       " 'DB00314': 'Capreomycin',\n",
       " 'DB00315': 'Zolmitriptan',\n",
       " 'DB00316': 'Acetaminophen',\n",
       " 'DB00317': 'Gefitinib',\n",
       " 'DB00318': 'Codeine',\n",
       " 'DB00319': 'Piperacillin',\n",
       " 'DB00320': 'Dihydroergotamine',\n",
       " 'DB00321': 'Amitriptyline',\n",
       " 'DB00322': 'Floxuridine',\n",
       " 'DB00323': 'Tolcapone',\n",
       " 'DB00324': 'Fluorometholone',\n",
       " 'DB00325': 'Nitroprusside',\n",
       " 'DB00327': 'Hydromorphone',\n",
       " 'DB00328': 'Indomethacin',\n",
       " 'DB00330': 'Ethambutol',\n",
       " 'DB00331': 'Metformin',\n",
       " 'DB00332': 'Ipratropium',\n",
       " 'DB00333': 'Methadone',\n",
       " 'DB00334': 'Olanzapine',\n",
       " 'DB00335': 'Atenolol',\n",
       " 'DB00337': 'Pimecrolimus',\n",
       " 'DB00338': 'Omeprazole',\n",
       " 'DB00339': 'Pyrazinamide',\n",
       " 'DB00341': 'Cetirizine',\n",
       " 'DB00342': 'Terfenadine',\n",
       " 'DB00343': 'Diltiazem',\n",
       " 'DB00344': 'Protriptyline',\n",
       " 'DB00345': 'Aminohippuric acid',\n",
       " 'DB00346': 'Alfuzosin',\n",
       " 'DB00347': 'Trimethadione',\n",
       " 'DB00349': 'Clobazam',\n",
       " 'DB00350': 'Minoxidil',\n",
       " 'DB00351': 'Megestrol acetate',\n",
       " 'DB00352': 'Tioguanine',\n",
       " 'DB00353': 'Methylergometrine',\n",
       " 'DB00355': 'Aztreonam',\n",
       " 'DB00356': 'Chlorzoxazone',\n",
       " 'DB00357': 'Aminoglutethimide',\n",
       " 'DB00358': 'Mefloquine',\n",
       " 'DB00359': 'Sulfadiazine',\n",
       " 'DB00360': 'Sapropterin',\n",
       " 'DB00361': 'Vinorelbine',\n",
       " 'DB00363': 'Clozapine',\n",
       " 'DB00364': 'Sucralfate',\n",
       " 'DB00366': 'Doxylamine',\n",
       " 'DB00367': 'Levonorgestrel',\n",
       " 'DB00368': 'Norepinephrine',\n",
       " 'DB00369': 'Cidofovir',\n",
       " 'DB00370': 'Mirtazapine',\n",
       " 'DB00371': 'Meprobamate',\n",
       " 'DB00373': 'Timolol',\n",
       " 'DB00374': 'Treprostinil',\n",
       " 'DB00375': 'Colestipol',\n",
       " 'DB00376': 'Trihexyphenidyl',\n",
       " 'DB00377': 'Palonosetron',\n",
       " 'DB00378': 'Dydrogesterone',\n",
       " 'DB00379': 'Mexiletine',\n",
       " 'DB00380': 'Dexrazoxane',\n",
       " 'DB00381': 'Amlodipine',\n",
       " 'DB00382': 'Tacrine',\n",
       " 'DB00384': 'Triamterene',\n",
       " 'DB00387': 'Procyclidine',\n",
       " 'DB00388': 'Phenylephrine',\n",
       " 'DB00389': 'Carbimazole',\n",
       " 'DB00390': 'Digoxin',\n",
       " 'DB00391': 'Sulpiride',\n",
       " 'DB00392': 'Profenamine',\n",
       " 'DB00393': 'Nimodipine',\n",
       " 'DB00394': 'Beclomethasone dipropionate',\n",
       " 'DB00395': 'Carisoprodol',\n",
       " 'DB00396': 'Progesterone',\n",
       " 'DB00397': 'Phenylpropanolamine',\n",
       " 'DB00398': 'Sorafenib',\n",
       " 'DB00399': 'Zoledronic acid',\n",
       " 'DB00400': 'Griseofulvin',\n",
       " 'DB00401': 'Nisoldipine',\n",
       " 'DB00402': 'Eszopiclone',\n",
       " 'DB00404': 'Alprazolam',\n",
       " 'DB00405': 'Dexbrompheniramine',\n",
       " 'DB00406': 'Gentian Violet',\n",
       " 'DB00407': 'Ardeparin',\n",
       " 'DB00408': 'Loxapine',\n",
       " 'DB00409': 'Remoxipride',\n",
       " 'DB00410': 'Mupirocin',\n",
       " 'DB00411': 'Carbachol',\n",
       " 'DB00412': 'Rosiglitazone',\n",
       " 'DB00413': 'Pramipexole',\n",
       " 'DB00414': 'Acetohexamide',\n",
       " 'DB00415': 'Ampicillin',\n",
       " 'DB00417': 'Phenoxymethylpenicillin',\n",
       " 'DB00418': 'Secobarbital',\n",
       " 'DB00420': 'Promazine',\n",
       " 'DB00421': 'Spironolactone',\n",
       " 'DB00422': 'Methylphenidate',\n",
       " 'DB00423': 'Methocarbamol',\n",
       " 'DB00424': 'Hyoscyamine',\n",
       " 'DB00425': 'Zolpidem',\n",
       " 'DB00427': 'Triprolidine',\n",
       " 'DB00428': 'Streptozocin',\n",
       " 'DB00429': 'Carboprost tromethamine',\n",
       " 'DB00430': 'Cefpiramide',\n",
       " 'DB00433': 'Prochlorperazine',\n",
       " 'DB00434': 'Cyproheptadine',\n",
       " 'DB00435': 'Nitric Oxide',\n",
       " 'DB00436': 'Bendroflumethiazide',\n",
       " 'DB00437': 'Allopurinol',\n",
       " 'DB00438': 'Ceftazidime',\n",
       " 'DB00440': 'Trimethoprim',\n",
       " 'DB00441': 'Gemcitabine',\n",
       " 'DB00442': 'Entecavir',\n",
       " 'DB00443': 'Betamethasone',\n",
       " 'DB00444': 'Teniposide',\n",
       " 'DB00445': 'Epirubicin',\n",
       " 'DB00446': 'Chloramphenicol',\n",
       " 'DB00448': 'Lansoprazole',\n",
       " 'DB00449': 'Dipivefrin',\n",
       " 'DB00450': 'Droperidol',\n",
       " 'DB00451': 'Levothyroxine',\n",
       " 'DB00452': 'Framycetin',\n",
       " 'DB00454': 'Meperidine',\n",
       " 'DB00455': 'Loratadine',\n",
       " 'DB00456': 'Cefalotin',\n",
       " 'DB00457': 'Prazosin',\n",
       " 'DB00458': 'Imipramine',\n",
       " 'DB00459': 'Acitretin',\n",
       " 'DB00460': 'Verteporfin',\n",
       " 'DB00461': 'Nabumetone',\n",
       " 'DB00465': 'Ketorolac',\n",
       " 'DB00468': 'Quinine',\n",
       " 'DB00470': 'Dronabinol',\n",
       " 'DB00471': 'Montelukast',\n",
       " 'DB00472': 'Fluoxetine',\n",
       " 'DB00474': 'Methohexital',\n",
       " 'DB00475': 'Chlordiazepoxide',\n",
       " 'DB00476': 'Duloxetine',\n",
       " 'DB00477': 'Chlorpromazine',\n",
       " 'DB00478': 'Rimantadine',\n",
       " 'DB00479': 'Amikacin',\n",
       " 'DB00480': 'Lenalidomide',\n",
       " 'DB00481': 'Raloxifene',\n",
       " 'DB00482': 'Celecoxib',\n",
       " 'DB00484': 'Brimonidine',\n",
       " 'DB00485': 'Dicloxacillin',\n",
       " 'DB00486': 'Nabilone',\n",
       " 'DB00488': 'Altretamine',\n",
       " 'DB00489': 'Sotalol',\n",
       " 'DB00490': 'Buspirone',\n",
       " 'DB00491': 'Miglitol',\n",
       " 'DB00492': 'Fosinopril',\n",
       " 'DB00493': 'Cefotaxime',\n",
       " 'DB00494': 'Entacapone',\n",
       " 'DB00495': 'Zidovudine',\n",
       " 'DB00496': 'Darifenacin',\n",
       " 'DB00497': 'Oxycodone',\n",
       " 'DB00498': 'Phenindione',\n",
       " 'DB00499': 'Flutamide',\n",
       " 'DB00500': 'Tolmetin',\n",
       " 'DB00501': 'Cimetidine',\n",
       " 'DB00502': 'Haloperidol',\n",
       " 'DB00503': 'Ritonavir',\n",
       " 'DB00508': 'Triflupromazine',\n",
       " 'DB00512': 'Vancomycin',\n",
       " 'DB00513': 'Aminocaproic acid',\n",
       " 'DB00514': 'Dextromethorphan',\n",
       " 'DB00515': 'Cisplatin',\n",
       " 'DB00518': 'Albendazole',\n",
       " 'DB00519': 'Trandolapril',\n",
       " 'DB00520': 'Caspofungin',\n",
       " 'DB00521': 'Carteolol',\n",
       " 'DB00523': 'Alitretinoin',\n",
       " 'DB00524': 'Metolazone',\n",
       " 'DB00526': 'Oxaliplatin',\n",
       " 'DB00528': 'Lercanidipine',\n",
       " 'DB00529': 'Foscarnet',\n",
       " 'DB00530': 'Erlotinib',\n",
       " 'DB00531': 'Cyclophosphamide',\n",
       " 'DB00532': 'Mephenytoin',\n",
       " 'DB00535': 'Cefdinir',\n",
       " 'DB00536': 'Guanidine',\n",
       " 'DB00537': 'Ciprofloxacin',\n",
       " 'DB00539': 'Toremifene',\n",
       " 'DB00540': 'Nortriptyline',\n",
       " 'DB00541': 'Vincristine',\n",
       " 'DB00542': 'Benazepril',\n",
       " 'DB00543': 'Amoxapine',\n",
       " 'DB00544': 'Fluorouracil',\n",
       " 'DB00545': 'Pyridostigmine',\n",
       " 'DB00547': 'Desoximetasone',\n",
       " 'DB00549': 'Zafirlukast',\n",
       " 'DB00550': 'Propylthiouracil',\n",
       " 'DB00551': 'Acetohydroxamic acid',\n",
       " 'DB00552': 'Pentostatin',\n",
       " 'DB00553': 'Methoxsalen',\n",
       " 'DB00554': 'Piroxicam',\n",
       " 'DB00555': 'Lamotrigine',\n",
       " 'DB00556': 'Perflutren',\n",
       " 'DB00557': 'Hydroxyzine',\n",
       " 'DB00559': 'Bosentan',\n",
       " 'DB00560': 'Tigecycline',\n",
       " 'DB00561': 'Doxapram',\n",
       " 'DB00563': 'Methotrexate',\n",
       " 'DB00564': 'Carbamazepine',\n",
       " 'DB00565': 'Cisatracurium',\n",
       " 'DB00567': 'Cephalexin',\n",
       " 'DB00569': 'Fondaparinux',\n",
       " 'DB00570': 'Vinblastine',\n",
       " 'DB00571': 'Propranolol',\n",
       " 'DB00572': 'Atropine',\n",
       " 'DB00573': 'Fenoprofen',\n",
       " 'DB00575': 'Clonidine',\n",
       " 'DB00577': 'Valaciclovir',\n",
       " 'DB00578': 'Carbenicillin',\n",
       " 'DB00581': 'Lactulose',\n",
       " 'DB00582': 'Voriconazole',\n",
       " 'DB00583': 'Levocarnitine',\n",
       " 'DB00584': 'Enalapril',\n",
       " 'DB00585': 'Nizatidine',\n",
       " 'DB00586': 'Diclofenac',\n",
       " 'DB00588': 'Fluticasone propionate',\n",
       " 'DB00590': 'Doxazosin',\n",
       " 'DB00591': 'Fluocinolone acetonide',\n",
       " 'DB00593': 'Ethosuximide',\n",
       " 'DB00594': 'Amiloride',\n",
       " 'DB00595': 'Oxytetracycline',\n",
       " 'DB00596': 'Ulobetasol',\n",
       " 'DB00598': 'Labetalol',\n",
       " 'DB00599': 'Thiopental',\n",
       " 'DB00601': 'Linezolid',\n",
       " 'DB00602': 'Ivermectin',\n",
       " 'DB00603': 'Medroxyprogesterone acetate',\n",
       " 'DB00604': 'Cisapride',\n",
       " 'DB00605': 'Sulindac',\n",
       " 'DB00606': 'Cyclothiazide',\n",
       " 'DB00607': 'Nafcillin',\n",
       " 'DB00608': 'Chloroquine',\n",
       " 'DB00609': 'Ethionamide',\n",
       " 'DB00610': 'Metaraminol',\n",
       " 'DB00611': 'Butorphanol',\n",
       " 'DB00612': 'Bisoprolol',\n",
       " 'DB00613': 'Amodiaquine',\n",
       " 'DB00615': 'Rifabutin',\n",
       " 'DB00618': 'Demeclocycline',\n",
       " 'DB00619': 'Imatinib',\n",
       " 'DB00620': 'Triamcinolone',\n",
       " 'DB00621': 'Oxandrolone',\n",
       " 'DB00622': 'Nicardipine',\n",
       " 'DB00623': 'Fluphenazine',\n",
       " 'DB00624': 'Testosterone',\n",
       " 'DB00625': 'Efavirenz',\n",
       " 'DB00626': 'Bacitracin',\n",
       " 'DB00627': 'Niacin',\n",
       " 'DB00628': 'Clorazepic acid',\n",
       " 'DB00630': 'Alendronic acid',\n",
       " 'DB00631': 'Clofarabine',\n",
       " 'DB00633': 'Dexmedetomidine',\n",
       " 'DB00634': 'Sulfacetamide',\n",
       " 'DB00635': 'Prednisone',\n",
       " 'DB00637': 'Astemizole',\n",
       " 'DB00639': 'Butoconazole',\n",
       " 'DB00640': 'Adenosine',\n",
       " 'DB00641': 'Simvastatin',\n",
       " 'DB00642': 'Pemetrexed',\n",
       " 'DB00643': 'Mebendazole',\n",
       " 'DB00648': 'Mitotane',\n",
       " 'DB00649': 'Stavudine',\n",
       " 'DB00650': 'Leucovorin',\n",
       " 'DB00651': 'Dyphylline',\n",
       " 'DB00652': 'Pentazocine',\n",
       " 'DB00653': 'Magnesium sulfate',\n",
       " 'DB00654': 'Latanoprost',\n",
       " 'DB00656': 'Trazodone',\n",
       " 'DB00657': 'Mecamylamine',\n",
       " 'DB00658': 'Sevelamer',\n",
       " 'DB00660': 'Metaxalone',\n",
       " 'DB00661': 'Verapamil',\n",
       " 'DB00662': 'Trimethobenzamide',\n",
       " 'DB00665': 'Nilutamide',\n",
       " 'DB00666': 'Nafarelin',\n",
       " 'DB00668': 'Epinephrine',\n",
       " 'DB00669': 'Sumatriptan',\n",
       " 'DB00671': 'Cefixime',\n",
       " 'DB00672': 'Chlorpropamide',\n",
       " 'DB00673': 'Aprepitant',\n",
       " 'DB00674': 'Galantamine',\n",
       " 'DB00675': 'Tamoxifen',\n",
       " 'DB00677': 'Isoflurophate',\n",
       " 'DB00678': 'Losartan',\n",
       " 'DB00679': 'Thioridazine',\n",
       " 'DB00681': 'Amphotericin B',\n",
       " 'DB00682': 'Warfarin',\n",
       " 'DB00683': 'Midazolam',\n",
       " 'DB00684': 'Tobramycin',\n",
       " 'DB00686': 'Pentosan polysulfate',\n",
       " 'DB00687': 'Fludrocortisone',\n",
       " 'DB00688': 'Mycophenolate mofetil',\n",
       " 'DB00689': 'Cephaloglycin',\n",
       " 'DB00690': 'Flurazepam',\n",
       " 'DB00691': 'Moexipril',\n",
       " 'DB00692': 'Phentolamine',\n",
       " 'DB00694': 'Daunorubicin',\n",
       " 'DB00695': 'Furosemide',\n",
       " 'DB00696': 'Ergotamine',\n",
       " 'DB00697': 'Tizanidine',\n",
       " 'DB00698': 'Nitrofurantoin',\n",
       " 'DB00700': 'Eplerenone',\n",
       " 'DB00703': 'Methazolamide',\n",
       " 'DB00704': 'Naltrexone',\n",
       " 'DB00705': 'Delavirdine',\n",
       " 'DB00706': 'Tamsulosin',\n",
       " 'DB00707': 'Porfimer sodium',\n",
       " 'DB00708': 'Sufentanil',\n",
       " 'DB00709': 'Lamivudine',\n",
       " 'DB00710': 'Ibandronate',\n",
       " 'DB00712': 'Flurbiprofen',\n",
       " 'DB00713': 'Oxacillin',\n",
       " 'DB00714': 'Apomorphine',\n",
       " 'DB00715': 'Paroxetine',\n",
       " 'DB00717': 'Norethisterone',\n",
       " 'DB00718': 'Adefovir dipivoxil',\n",
       " 'DB00720': 'Clodronic acid',\n",
       " 'DB00721': 'Procaine',\n",
       " 'DB00722': 'Lisinopril',\n",
       " 'DB00723': 'Methoxamine',\n",
       " 'DB00724': 'Imiquimod',\n",
       " 'DB00726': 'Trimipramine',\n",
       " 'DB00727': 'Nitroglycerin',\n",
       " 'DB00728': 'Rocuronium',\n",
       " 'DB00730': 'Thiabendazole',\n",
       " 'DB00731': 'Nateglinide',\n",
       " 'DB00732': 'Atracurium besylate',\n",
       " 'DB00734': 'Risperidone',\n",
       " 'DB00736': 'Esomeprazole',\n",
       " 'DB00737': 'Meclizine',\n",
       " 'DB00738': 'Pentamidine',\n",
       " 'DB00739': 'Hetacillin',\n",
       " 'DB00740': 'Riluzole',\n",
       " 'DB00741': 'Hydrocortisone',\n",
       " 'DB00742': 'Mannitol',\n",
       " 'DB00743': 'Gadobenic acid',\n",
       " 'DB00744': 'Zileuton',\n",
       " 'DB00745': 'Modafinil',\n",
       " 'DB00746': 'Deferoxamine',\n",
       " 'DB00747': 'Scopolamine',\n",
       " 'DB00748': 'Carbinoxamine',\n",
       " 'DB00749': 'Etodolac',\n",
       " 'DB00750': 'Prilocaine',\n",
       " 'DB00752': 'Tranylcypromine',\n",
       " 'DB00753': 'Isoflurane',\n",
       " 'DB00754': 'Ethotoin',\n",
       " 'DB00755': 'Tretinoin',\n",
       " 'DB00756': 'Hexachlorophene',\n",
       " 'DB00757': 'Dolasetron',\n",
       " 'DB00758': 'Clopidogrel',\n",
       " 'DB00759': 'Tetracycline',\n",
       " 'DB00760': 'Meropenem',\n",
       " 'DB00761': 'Potassium chloride',\n",
       " 'DB00762': 'Irinotecan',\n",
       " 'DB00763': 'Methimazole',\n",
       " 'DB00764': 'Mometasone',\n",
       " 'DB00765': 'Metyrosine',\n",
       " 'DB00766': 'Clavulanic acid',\n",
       " 'DB00767': 'Benzquinamide',\n",
       " 'DB00768': 'Olopatadine',\n",
       " 'DB00769': 'Hydrocortamate',\n",
       " 'DB00770': 'Alprostadil',\n",
       " 'DB00771': 'Clidinium',\n",
       " 'DB00773': 'Etoposide',\n",
       " 'DB00774': 'Hydroflumethiazide',\n",
       " 'DB00775': 'Tirofiban',\n",
       " 'DB00776': 'Oxcarbazepine',\n",
       " 'DB00779': 'Nalidixic acid',\n",
       " 'DB00780': 'Phenelzine',\n",
       " 'DB00781': 'Polymyxin B',\n",
       " 'DB00782': 'Propantheline',\n",
       " 'DB00783': 'Estradiol',\n",
       " 'DB00784': 'Mefenamic acid',\n",
       " 'DB00787': 'Acyclovir',\n",
       " 'DB00788': 'Naproxen',\n",
       " 'DB00790': 'Perindopril',\n",
       " 'DB00794': 'Primidone',\n",
       " 'DB00795': 'Sulfasalazine',\n",
       " 'DB00796': 'Candesartan cilexetil',\n",
       " 'DB00798': 'Gentamicin',\n",
       " 'DB00801': 'Halazepam',\n",
       " 'DB00802': 'Alfentanil',\n",
       " 'DB00803': 'Colistin',\n",
       " 'DB00804': 'Dicyclomine',\n",
       " 'DB00806': 'Pentoxifylline',\n",
       " 'DB00808': 'Indapamide',\n",
       " 'DB00811': 'Ribavirin',\n",
       " 'DB00813': 'Fentanyl',\n",
       " 'DB00814': 'Meloxicam',\n",
       " 'DB00816': 'Orciprenaline',\n",
       " 'DB00818': 'Propofol',\n",
       " 'DB00819': 'Acetazolamide',\n",
       " 'DB00820': 'Tadalafil',\n",
       " 'DB00821': 'Carprofen',\n",
       " 'DB00822': 'Disulfiram',\n",
       " 'DB00823': 'Ethynodiol diacetate',\n",
       " 'DB00828': 'Fosfomycin',\n",
       " 'DB00829': 'Diazepam',\n",
       " 'DB00830': 'Phenmetrazine',\n",
       " 'DB00831': 'Trifluoperazine',\n",
       " 'DB00832': 'Phensuximide',\n",
       " 'DB00833': 'Cefaclor',\n",
       " 'DB00834': 'Mifepristone',\n",
       " 'DB00835': 'Brompheniramine',\n",
       " 'DB00836': 'Loperamide',\n",
       " 'DB00837': 'Progabide',\n",
       " 'DB00838': 'Clocortolone',\n",
       " 'DB00839': 'Tolazamide',\n",
       " 'DB00841': 'Dobutamine',\n",
       " 'DB00842': 'Oxazepam',\n",
       " 'DB00843': 'Donepezil',\n",
       " 'DB00844': 'Nalbuphine',\n",
       " 'DB00846': 'Flurandrenolide',\n",
       " 'DB00847': 'Cysteamine',\n",
       " 'DB00849': 'Methylphenobarbital',\n",
       " 'DB00850': 'Perphenazine',\n",
       " 'DB00851': 'Dacarbazine',\n",
       " 'DB00852': 'Pseudoephedrine',\n",
       " 'DB00853': 'Temozolomide',\n",
       " 'DB00854': 'Levorphanol',\n",
       " 'DB00855': 'Aminolevulinic acid',\n",
       " 'DB00857': 'Terbinafine',\n",
       " 'DB00859': 'Penicillamine',\n",
       " 'DB00860': 'Prednisolone',\n",
       " 'DB00861': 'Diflunisal',\n",
       " 'DB00862': 'Vardenafil',\n",
       " 'DB00863': 'Ranitidine',\n",
       " 'DB00864': 'Tacrolimus',\n",
       " 'DB00865': 'Benzphetamine',\n",
       " 'DB00867': 'Ritodrine',\n",
       " 'DB00869': 'Dorzolamide',\n",
       " 'DB00871': 'Terbutaline',\n",
       " 'DB00872': 'Conivaptan',\n",
       " 'DB00873': 'Loteprednol',\n",
       " 'DB00875': 'Flupentixol',\n",
       " 'DB00876': 'Eprosartan',\n",
       " 'DB00877': 'Sirolimus',\n",
       " 'DB00879': 'Emtricitabine',\n",
       " 'DB00880': 'Chlorothiazide',\n",
       " 'DB00881': 'Quinapril',\n",
       " 'DB00882': 'Clomifene',\n",
       " 'DB00883': 'Isosorbide dinitrate',\n",
       " 'DB00884': 'Risedronic acid',\n",
       " 'DB00887': 'Bumetanide',\n",
       " 'DB00888': 'Mechlorethamine',\n",
       " 'DB00889': 'Granisetron',\n",
       " 'DB00891': 'Sulfapyridine',\n",
       " 'DB00893': 'Iron Dextran',\n",
       " 'DB00895': 'Benzylpenicilloyl polylysine',\n",
       " 'DB00896': 'Rimexolone',\n",
       " 'DB00897': 'Triazolam',\n",
       " 'DB00898': 'Ethanol',\n",
       " 'DB00899': 'Remifentanil',\n",
       " 'DB00900': 'Didanosine',\n",
       " 'DB00903': 'Etacrynic acid',\n",
       " 'DB00904': 'Ondansetron',\n",
       " 'DB00905': 'Bimatoprost',\n",
       " 'DB00906': 'Tiagabine',\n",
       " 'DB00907': 'Cocaine',\n",
       " 'DB00908': 'Quinidine',\n",
       " 'DB00909': 'Zonisamide',\n",
       " 'DB00910': 'Paricalcitol',\n",
       " 'DB00911': 'Tinidazole',\n",
       " 'DB00912': 'Repaglinide',\n",
       " 'DB00915': 'Amantadine',\n",
       " 'DB00916': 'Metronidazole',\n",
       " 'DB00917': 'Dinoprostone',\n",
       " 'DB00918': 'Almotriptan',\n",
       " 'DB00919': 'Spectinomycin',\n",
       " 'DB00921': 'Buprenorphine',\n",
       " 'DB00923': 'Ceforanide',\n",
       " 'DB00924': 'Cyclobenzaprine',\n",
       " 'DB00925': 'Phenoxybenzamine',\n",
       " 'DB00927': 'Famotidine',\n",
       " 'DB00928': 'Azacitidine',\n",
       " 'DB00929': 'Misoprostol',\n",
       " 'DB00930': 'Colesevelam',\n",
       " 'DB00932': 'Tipranavir',\n",
       " 'DB00933': 'Mesoridazine',\n",
       " 'DB00934': 'Maprotiline',\n",
       " 'DB00935': 'Oxymetazoline',\n",
       " 'DB00937': 'Diethylpropion',\n",
       " 'DB00938': 'Salmeterol',\n",
       " 'DB00945': 'Aspirin',\n",
       " 'DB00946': 'Phenprocoumon',\n",
       " 'DB00948': 'Mezlocillin',\n",
       " 'DB00949': 'Felbamate',\n",
       " 'DB00950': 'Fexofenadine',\n",
       " 'DB00951': 'Isoniazid',\n",
       " 'DB00952': 'Naratriptan',\n",
       " 'DB00953': 'Rizatriptan',\n",
       " 'DB00955': 'Netilmicin',\n",
       " 'DB00956': 'Hydrocodone',\n",
       " 'DB00957': 'Norgestimate',\n",
       " 'DB00958': 'Carboplatin',\n",
       " 'DB00959': 'Methylprednisolone',\n",
       " 'DB00960': 'Pindolol',\n",
       " 'DB00961': 'Mepivacaine',\n",
       " 'DB00962': 'Zaleplon',\n",
       " 'DB00963': 'Bromfenac',\n",
       " 'DB00964': 'Apraclonidine',\n",
       " 'DB00965': 'Ethiodized oil',\n",
       " 'DB00966': 'Telmisartan',\n",
       " 'DB00967': 'Desloratadine',\n",
       " 'DB00968': 'Methyldopa',\n",
       " 'DB00969': 'Alosetron',\n",
       " 'DB00970': 'Dactinomycin',\n",
       " 'DB00972': 'Azelastine',\n",
       " 'DB00973': 'Ezetimibe',\n",
       " 'DB00974': 'Edetic acid',\n",
       " 'DB00975': 'Dipyridamole',\n",
       " 'DB00976': 'Telithromycin',\n",
       " 'DB00977': 'Ethinylestradiol',\n",
       " 'DB00979': 'Cyclopentolate',\n",
       " 'DB00980': 'Ramelteon',\n",
       " 'DB00981': 'Physostigmine',\n",
       " 'DB00982': 'Isotretinoin',\n",
       " 'DB00983': 'Formoterol',\n",
       " 'DB00984': 'Nandrolone phenpropionate',\n",
       " 'DB00985': 'Dimenhydrinate',\n",
       " 'DB00986': 'Glycopyrronium',\n",
       " 'DB00987': 'Cytarabine',\n",
       " 'DB00988': 'Dopamine',\n",
       " 'DB00989': 'Rivastigmine',\n",
       " 'DB00990': 'Exemestane',\n",
       " 'DB00991': 'Oxaprozin',\n",
       " 'DB00993': 'Azathioprine',\n",
       " 'DB00994': 'Neomycin',\n",
       " 'DB00996': 'Gabapentin',\n",
       " 'DB00997': 'Doxorubicin',\n",
       " 'DB00998': 'Frovatriptan',\n",
       " 'DB00999': 'Hydrochlorothiazide',\n",
       " 'DB01000': 'Cyclacillin',\n",
       " 'DB01001': 'Salbutamol',\n",
       " 'DB01002': 'Levobupivacaine',\n",
       " 'DB01003': 'Cromoglicic acid',\n",
       " 'DB01004': 'Ganciclovir',\n",
       " 'DB01005': 'Hydroxyurea',\n",
       " 'DB01006': 'Letrozole',\n",
       " 'DB01007': 'Tioconazole',\n",
       " 'DB01008': 'Busulfan',\n",
       " 'DB01009': 'Ketoprofen',\n",
       " 'DB01010': 'Edrophonium',\n",
       " 'DB01011': 'Metyrapone',\n",
       " 'DB01012': 'Cinacalcet',\n",
       " 'DB01013': 'Clobetasol propionate',\n",
       " 'DB01014': 'Balsalazide',\n",
       " 'DB01015': 'Sulfamethoxazole',\n",
       " 'DB01016': 'Glyburide',\n",
       " 'DB01017': 'Minocycline',\n",
       " 'DB01018': 'Guanfacine',\n",
       " 'DB01019': 'Bethanechol',\n",
       " 'DB01020': 'Isosorbide mononitrate',\n",
       " 'DB01021': 'Trichlormethiazide',\n",
       " 'DB01022': 'Vitamin K1',\n",
       " 'DB01023': 'Felodipine',\n",
       " 'DB01024': 'Mycophenolic acid',\n",
       " 'DB01026': 'Ketoconazole',\n",
       " 'DB01029': 'Irbesartan',\n",
       " 'DB01030': 'Topotecan',\n",
       " 'DB01032': 'Probenecid',\n",
       " 'DB01033': 'Mercaptopurine',\n",
       " 'DB01035': 'Procainamide',\n",
       " 'DB01036': 'Tolterodine',\n",
       " 'DB01037': 'Selegiline',\n",
       " 'DB01038': 'Carphenazine',\n",
       " 'DB01039': 'Fenofibrate',\n",
       " 'DB01041': 'Thalidomide',\n",
       " 'DB01042': 'Melphalan',\n",
       " 'DB01043': 'Memantine',\n",
       " 'DB01045': 'Rifampicin',\n",
       " 'DB01046': 'Lubiprostone',\n",
       " 'DB01047': 'Fluocinonide',\n",
       " 'DB01048': 'Abacavir',\n",
       " 'DB01049': 'Ergoloid mesylate',\n",
       " 'DB01050': 'Ibuprofen',\n",
       " 'DB01053': 'Benzylpenicillin',\n",
       " 'DB01054': 'Nitrendipine',\n",
       " 'DB01057': 'Echothiophate',\n",
       " 'DB01058': 'Praziquantel',\n",
       " 'DB01059': 'Norfloxacin',\n",
       " 'DB01060': 'Amoxicillin',\n",
       " 'DB01061': 'Azlocillin',\n",
       " 'DB01062': 'Oxybutynin',\n",
       " 'DB01063': 'Acetophenazine',\n",
       " 'DB01064': 'Isoprenaline',\n",
       " 'DB01065': 'Melatonin',\n",
       " 'DB01066': 'Cefditoren',\n",
       " 'DB01067': 'Glipizide',\n",
       " 'DB01068': 'Clonazepam',\n",
       " 'DB01069': 'Promethazine',\n",
       " 'DB01070': 'Dihydrotachysterol',\n",
       " 'DB01071': 'Mequitazine',\n",
       " 'DB01072': 'Atazanavir',\n",
       " 'DB01073': 'Fludarabine',\n",
       " 'DB01074': 'Perhexiline',\n",
       " 'DB01075': 'Diphenhydramine',\n",
       " 'DB01076': 'Atorvastatin',\n",
       " 'DB01080': 'Vigabatrin',\n",
       " 'DB01081': 'Diphenoxylate',\n",
       " 'DB01082': 'Streptomycin',\n",
       " 'DB01083': 'Orlistat',\n",
       " 'DB01085': 'Pilocarpine',\n",
       " 'DB01086': 'Benzocaine',\n",
       " 'DB01087': 'Primaquine',\n",
       " 'DB01088': 'Iloprost',\n",
       " 'DB01093': 'Dimethyl sulfoxide',\n",
       " 'DB01095': 'Fluvastatin',\n",
       " 'DB01097': 'Leflunomide',\n",
       " 'DB01098': 'Rosuvastatin',\n",
       " 'DB01099': 'Flucytosine',\n",
       " 'DB01100': 'Pimozide',\n",
       " 'DB01101': 'Capecitabine',\n",
       " 'DB01103': 'Quinacrine',\n",
       " 'DB01104': 'Sertraline',\n",
       " 'DB01106': 'Levocabastine',\n",
       " 'DB01109': 'Heparin',\n",
       " 'DB01110': 'Miconazole',\n",
       " 'DB01111': 'Colistimethate',\n",
       " 'DB01112': 'Cefuroxime',\n",
       " 'DB01113': 'Papaverine',\n",
       " 'DB01114': 'Chlorpheniramine',\n",
       " 'DB01115': 'Nifedipine',\n",
       " 'DB01117': 'Atovaquone',\n",
       " 'DB01118': 'Amiodarone',\n",
       " 'DB01119': 'Diazoxide',\n",
       " 'DB01120': 'Gliclazide',\n",
       " 'DB01124': 'Tolbutamide',\n",
       " 'DB01126': 'Dutasteride',\n",
       " 'DB01127': 'Econazole',\n",
       " 'DB01128': 'Bicalutamide',\n",
       " 'DB01129': 'Rabeprazole',\n",
       " 'DB01130': 'Prednicarbate',\n",
       " 'DB01131': 'Proguanil',\n",
       " 'DB01132': 'Pioglitazone',\n",
       " 'DB01133': 'Tiludronic acid',\n",
       " 'DB01136': 'Carvedilol',\n",
       " 'DB01137': 'Levofloxacin',\n",
       " 'DB01138': 'Sulfinpyrazone',\n",
       " 'DB01139': 'Cefapirin',\n",
       " 'DB01140': 'Cefadroxil',\n",
       " 'DB01142': 'Doxepin',\n",
       " 'DB01143': 'Amifostine',\n",
       " 'DB01144': 'Diclofenamide',\n",
       " 'DB01145': 'Sulfoxone',\n",
       " 'DB01147': 'Cloxacillin',\n",
       " 'DB01148': 'Flavoxate',\n",
       " 'DB01149': 'Nefazodone',\n",
       " 'DB01150': 'Cefprozil',\n",
       " 'DB01151': 'Desipramine',\n",
       " 'DB01155': 'Gemifloxacin',\n",
       " 'DB01156': 'Bupropion',\n",
       " 'DB01158': 'Bretylium',\n",
       " 'DB01159': 'Halothane',\n",
       " 'DB01161': 'Chloroprocaine',\n",
       " 'DB01162': 'Terazosin',\n",
       " 'DB01163': 'Amdinocillin',\n",
       " 'DB01164': 'Calcium chloride',\n",
       " 'DB01165': 'Ofloxacin',\n",
       " 'DB01166': 'Cilostazol',\n",
       " 'DB01167': 'Itraconazole',\n",
       " 'DB01168': 'Procarbazine',\n",
       " 'DB01169': 'Arsenic trioxide',\n",
       " 'DB01171': 'Moclobemide',\n",
       " 'DB01172': 'Kanamycin',\n",
       " 'DB01173': 'Orphenadrine',\n",
       " 'DB01174': 'Phenobarbital',\n",
       " 'DB01175': 'Escitalopram',\n",
       " 'DB01176': 'Cyclizine',\n",
       " 'DB01177': 'Idarubicin',\n",
       " 'DB01178': 'Chlormezanone',\n",
       " 'DB01181': 'Ifosfamide',\n",
       " 'DB01182': 'Propafenone',\n",
       " 'DB01183': 'Naloxone',\n",
       " 'DB01184': 'Domperidone',\n",
       " 'DB01185': 'Fluoxymesterone',\n",
       " 'DB01189': 'Desflurane',\n",
       " 'DB01190': 'Clindamycin',\n",
       " 'DB01192': 'Oxymorphone',\n",
       " 'DB01193': 'Acebutolol',\n",
       " 'DB01194': 'Brinzolamide',\n",
       " 'DB01195': 'Flecainide',\n",
       " 'DB01196': 'Estramustine',\n",
       " 'DB01197': 'Captopril',\n",
       " 'DB01198': 'Zopiclone',\n",
       " 'DB01200': 'Bromocriptine',\n",
       " 'DB01201': 'Rifapentine',\n",
       " 'DB01202': 'Levetiracetam',\n",
       " 'DB01203': 'Nadolol',\n",
       " 'DB01204': 'Mitoxantrone',\n",
       " 'DB01205': 'Flumazenil',\n",
       " 'DB01206': 'Lomustine',\n",
       " 'DB01207': 'Ridogrel',\n",
       " 'DB01208': 'Sparfloxacin',\n",
       " 'DB01210': 'Levobunolol',\n",
       " 'DB01211': 'Clarithromycin',\n",
       " 'DB01212': 'Ceftriaxone',\n",
       " 'DB01214': 'Metipranolol',\n",
       " 'DB01215': 'Estazolam',\n",
       " 'DB01217': 'Anastrozole',\n",
       " 'DB01218': 'Halofantrine',\n",
       " 'DB01219': 'Dantrolene',\n",
       " 'DB01220': 'Rifaximin',\n",
       " 'DB01221': 'Ketamine',\n",
       " 'DB01222': 'Budesonide',\n",
       " 'DB01223': 'Aminophylline',\n",
       " 'DB01224': 'Quetiapine',\n",
       " 'DB01225': 'Enoxaparin',\n",
       " 'DB01229': 'Paclitaxel',\n",
       " 'DB01232': 'Saquinavir',\n",
       " 'DB01233': 'Metoclopramide',\n",
       " 'DB01234': 'Dexamethasone',\n",
       " 'DB01235': 'Levodopa',\n",
       " 'DB01236': 'Sevoflurane',\n",
       " 'DB01238': 'Aripiprazole',\n",
       " 'DB01239': 'Chlorprothixene',\n",
       " 'DB01240': 'Epoprostenol',\n",
       " 'DB01241': 'Gemfibrozil',\n",
       " 'DB01242': 'Clomipramine',\n",
       " 'DB01244': 'Bepridil',\n",
       " 'DB01247': 'Isocarboxazid',\n",
       " 'DB01248': 'Docetaxel',\n",
       " 'DB01249': 'Iodixanol',\n",
       " 'DB01250': 'Olsalazine',\n",
       " 'DB01251': 'Gliquidone',\n",
       " 'DB01253': 'Ergometrine',\n",
       " 'DB01254': 'Dasatinib',\n",
       " 'DB01255': 'Lisdexamfetamine',\n",
       " 'DB01256': 'Retapamulin',\n",
       " 'DB01257': 'Eculizumab',\n",
       " 'DB01259': 'Lapatinib',\n",
       " 'DB01260': 'Desonide',\n",
       " 'DB01261': 'Sitagliptin',\n",
       " 'DB01262': 'Decitabine',\n",
       " 'DB01263': 'Posaconazole',\n",
       " 'DB01264': 'Darunavir',\n",
       " 'DB01265': 'Telbivudine',\n",
       " 'DB01267': 'Paliperidone',\n",
       " 'DB01268': 'Sunitinib',\n",
       " 'DB01269': 'Panitumumab',\n",
       " 'DB01270': 'Ranibizumab',\n",
       " 'DB01273': 'Varenicline',\n",
       " 'DB01274': 'Arformoterol',\n",
       " 'DB01275': 'Hydralazine',\n",
       " 'DB01276': 'Exenatide',\n",
       " 'DB01277': 'Mecasermin',\n",
       " 'DB01278': 'Pramlintide',\n",
       " 'DB01280': 'Nelarabine',\n",
       " 'DB01281': 'Abatacept',\n",
       " 'DB01282': 'Carbetocin',\n",
       " 'DB01284': 'Tetracosactide',\n",
       " 'DB01285': 'Corticotropin',\n",
       " 'DB01288': 'Fenoterol',\n",
       " 'DB01291': 'Pirbuterol',\n",
       " 'DB01294': 'Bismuth subsalicylate',\n",
       " 'DB01296': 'Glucosamine',\n",
       " 'DB01298': 'Sulfacytine',\n",
       " 'DB01306': 'Insulin aspart',\n",
       " 'DB01307': 'Insulin detemir',\n",
       " 'DB01309': 'Insulin glulisine',\n",
       " 'DB01319': 'Fosamprenavir',\n",
       " 'DB01320': 'Fosphenytoin',\n",
       " 'DB01323': \"St. John's Wort\",\n",
       " 'DB01326': 'Cefamandole',\n",
       " 'DB01327': 'Cefazolin',\n",
       " 'DB01328': 'Cefonicid',\n",
       " 'DB01329': 'Cefoperazone',\n",
       " 'DB01330': 'Cefotetan',\n",
       " 'DB01331': 'Cefoxitin',\n",
       " 'DB01332': 'Ceftizoxime',\n",
       " 'DB01333': 'Cefradine',\n",
       " 'DB01337': 'Pancuronium',\n",
       " 'DB01339': 'Vecuronium',\n",
       " 'DB01340': 'Cilazapril',\n",
       " 'DB01344': 'Tolevamer',\n",
       " 'DB01351': 'Amobarbital',\n",
       " 'DB01353': 'Butobarbital',\n",
       " 'DB01354': 'Heptabarbital',\n",
       " 'DB01355': 'Hexobarbital',\n",
       " 'DB01356': 'Lithium cation',\n",
       " 'DB01357': 'Mestranol',\n",
       " 'DB01359': 'Penbutolol',\n",
       " 'DB01362': 'Iohexol',\n",
       " 'DB01363': 'Ephedra',\n",
       " 'DB01364': 'Ephedrine',\n",
       " 'DB01365': 'Mephentermine',\n",
       " 'DB01367': 'Rasagiline',\n",
       " 'DB01369': 'Quinupristin',\n",
       " 'DB01377': 'Magnesium oxide',\n",
       " 'DB01380': 'Cortisone acetate',\n",
       " 'DB01381': 'Ginkgo biloba',\n",
       " 'DB01390': 'Sodium bicarbonate',\n",
       " 'DB01392': 'Yohimbine',\n",
       " ...}"
      ]
     },
     "execution_count": 5,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "# Read DB mapping JSON\n",
    "with open('data/DB_mapping.json', 'r') as fp:\n",
    "    db_mapping = json.load(fp)\n",
    "    \n",
    "db_mapping"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 6,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
       "    .dataframe tbody tr th:only-of-type {\n",
       "        vertical-align: middle;\n",
       "    }\n",
       "\n",
       "    .dataframe tbody tr th {\n",
       "        vertical-align: top;\n",
       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>drug_1_code</th>\n",
       "      <th>drug_1_name</th>\n",
       "      <th>drug_2_code</th>\n",
       "      <th>drug_2_name</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>DB00862</td>\n",
       "      <td>Vardenafil</td>\n",
       "      <td>DB00966</td>\n",
       "      <td>Telmisartan</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>DB00575</td>\n",
       "      <td>Clonidine</td>\n",
       "      <td>DB00806</td>\n",
       "      <td>Pentoxifylline</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>DB01242</td>\n",
       "      <td>Clomipramine</td>\n",
       "      <td>DB08893</td>\n",
       "      <td>Mirabegron</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>DB01151</td>\n",
       "      <td>Desipramine</td>\n",
       "      <td>DB08883</td>\n",
       "      <td>Perampanel</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>DB01235</td>\n",
       "      <td>Levodopa</td>\n",
       "      <td>DB01275</td>\n",
       "      <td>Hydralazine</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "  drug_1_code   drug_1_name drug_2_code     drug_2_name\n",
       "0     DB00862    Vardenafil     DB00966     Telmisartan\n",
       "1     DB00575     Clonidine     DB00806  Pentoxifylline\n",
       "2     DB01242  Clomipramine     DB08893      Mirabegron\n",
       "3     DB01151   Desipramine     DB08883      Perampanel\n",
       "4     DB01235      Levodopa     DB01275     Hydralazine"
      ]
     },
     "execution_count": 6,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "# Import raw drugbank dataset\n",
    "df_db_int = pd.read_csv(\"data/ChCh-Miner_durgbank-chem-chem.tsv\", sep='\\t', header=None)\n",
    "df_db_int.columns = ['drug_1_code', 'drug_2_code']\n",
    "\n",
    "# Perform code-name mapping\n",
    "df_db_int['drug_1_name'] = df_db_int['drug_1_code'].map(db_mapping)\n",
    "df_db_int['drug_2_name'] = df_db_int['drug_2_code'].map(db_mapping)\n",
    "\n",
    "new_cols = ['drug_1_code', 'drug_1_name', 'drug_2_code', 'drug_2_name']\n",
    "df_db_int = df_db_int[new_cols]\n",
    "df_db_int.head()"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "#### 2(b) Polypharmacy side effects"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 7,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "{'CID000002173': '6-{[Amino(phenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate',\n",
       " 'CID000005206': 'Sevoflurane',\n",
       " 'CID000003929': 'N-[[(5S)-3-[3-Fluoro-4-(4-morpholinyl)phenyl]-2-oxo-5-oxazolidinyl]methyl]-acetamide',\n",
       " 'CID000001302': '2-(6-Methoxy-2-naphthyl)propionic acid',\n",
       " 'CID000005267': 'Duraspiron',\n",
       " 'CID000004601': 'Orphenadrine',\n",
       " 'CID000005090': 'Rofecoxib',\n",
       " 'CID000004946': 'Propranolol',\n",
       " 'CID000005391': 'Temazepam',\n",
       " 'CID000002802': 'Clonazepam',\n",
       " 'CID000004212': 'Mitoxantrone',\n",
       " 'CID000000596': 'Depocyt',\n",
       " 'CID000002522': '5-[2-[1-(5-Cyclopropyl-5-hydroxypent-3-en-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol',\n",
       " 'CID000003405': 'CID 3405',\n",
       " 'CID000003446': 'Gabapentin',\n",
       " 'CID000004107': 'Methocarbamol',\n",
       " 'CID000003161': 'CID 3161',\n",
       " 'CID000003823': 'Ketoconazole',\n",
       " 'CID000005556': 'Triazolam',\n",
       " 'CID000002156': '[2-[4-[(2-Butylbenzofuran-3-yl)carbonyl]-2,6-diiodophenoxy]ethyl]diethylaminium',\n",
       " 'CID000002907': 'Cyclophosphamide',\n",
       " 'CID000004192': 'Midazolam',\n",
       " 'CID000000838': 'Adrenaline',\n",
       " 'CID000001986': 'Acetazolamide',\n",
       " 'CID000004920': '(8S,9S,10R,13S,14S,17S)-17-Acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one',\n",
       " 'CID000005478': '1-(Tert-butylamino)-3-{[4-(morpholin-4-yl)-1,2,5-thiadiazol-3-yl]oxy}propan-2-ol',\n",
       " 'CID000003937': 'N~2~-(1-Carboxy-3-phenylpropyl)lysylproline',\n",
       " 'CID000004158': 'Methylphenidate',\n",
       " 'CID000003696': 'Imipramine',\n",
       " 'CID000003899': 'Leflunomide',\n",
       " 'CID000000853': 'DL-Thyroxine',\n",
       " 'CID000003826': 'Ketorolac',\n",
       " 'CID000003143': 'Docetaxeltrihydrate',\n",
       " 'CID000004736': 'Talwin',\n",
       " 'CID000005005': '3-Isoquinolinecarboxylic acid, 2-(2-((1-(ethoxycarbonyl)-3-phenylpropyl)amino)-1-oxopropyl)-1,2,3,4-tetrahydro-',\n",
       " 'CID000003261': 'Estazolam',\n",
       " 'CID000002162': 'Amlodipine',\n",
       " 'CID000004259': '1-Cyclopropyl-6-fluoro-8-methoxy-7-(octahydro-6h-pyrrolo[3,4-b]pyridin-6-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid',\n",
       " 'CID000003957': 'Loratadine',\n",
       " 'CID000004595': 'Ondansetron',\n",
       " 'CID000002666': '7-{[Amino(phenyl)acetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid',\n",
       " 'CID000003007': 'Amphetamine',\n",
       " 'CID000003559': 'Haloperidol',\n",
       " 'CID000004909': 'Primidone',\n",
       " 'CID000002520': 'Verapamil',\n",
       " 'CID000004889': '3,5-Dihydroxy-7-[6-hydroxy-2-methyl-8-(2-methyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid',\n",
       " 'CID000003958': 'Lorazepam',\n",
       " 'CID000005505': 'Tolbutamide',\n",
       " 'CID000038904': 'Carboplatinum',\n",
       " 'CID000004485': 'Nifedipine',\n",
       " 'CID000005245': 'Risedronic acid',\n",
       " 'CID000039765': 'Vecuronium',\n",
       " 'CID000004635': 'Percodan',\n",
       " 'CID000002554': 'Carbamazepine',\n",
       " 'CID000002650': 'Ceftazidim',\n",
       " 'CID000003749': 'Irbesartan',\n",
       " 'CID000003440': 'Furosemide',\n",
       " 'CID000002909': 'Cyclosporin',\n",
       " 'CID000003075': '2-[3-Acetyloxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-dimethylazanium',\n",
       " 'CID000005647': 'CID 5647',\n",
       " 'CID000003386': 'Fluoxetine',\n",
       " 'CID000000271': 'Calcium ion',\n",
       " 'CID000003016': 'Diazepam',\n",
       " 'CID000003750': \"4,11-Diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl 1,4'-bipiperidine-1'-carboxylate\",\n",
       " 'CID000004173': 'Metronidazole',\n",
       " 'CID000004159': 'A-Methapred',\n",
       " 'CID000001065': \"6'-Methoxycinchonan-9-ol\",\n",
       " 'CID000002576': 'Carisoprodol',\n",
       " 'CID000002541': 'Candesartan',\n",
       " 'CID000004543': 'Nortriptyline',\n",
       " 'CID000004917': 'Prochlorperazine',\n",
       " 'CID000003640': '11,17,21-Trihydroxypregn-4-ene-3,20-dione',\n",
       " 'CID000060831': '3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane,7-[(2-hydroxy-2,2-di-2-thienylacetyl)oxy]-9,9-dimethyl-, (1a,2b,4b,5a,7b)-',\n",
       " 'CID000002022': 'CID 2022',\n",
       " 'CID000000206': 'Hexose',\n",
       " 'CID000003793': 'Sporanox',\n",
       " 'CID000000450': '13-Methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol',\n",
       " 'CID000002756': 'Cimetidine',\n",
       " 'CID000003657': 'Hydroxyurea',\n",
       " 'CID000003890': '15(S)-Latanoprost',\n",
       " 'CID000002088': 'Alendronic acid',\n",
       " 'CID000004034': 'Meclizine',\n",
       " 'CID000002891': 'Cobalt(2+);[5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl hydrogen phosphate;cyanide',\n",
       " 'CID000002585': 'Carvedilol',\n",
       " 'CID000005358': 'Sumatriptan',\n",
       " 'CID000005234': 'Sodium chloride',\n",
       " 'CID000002578': 'Carmustine',\n",
       " 'CID000005038': 'Unipril',\n",
       " 'CID000002118': 'Alprazolam',\n",
       " 'CID000003715': 'Indomethacin',\n",
       " 'CID000004264': '9-[4-[3,4-Dihydroxy-5-[[3-(3-hydroxybutan-2-yl)oxiran-2-yl]methyl]oxan-2-yl]-3-methylbut-2-enoyl]oxynonanoic acid',\n",
       " 'CID000003062': 'Lanicor',\n",
       " 'CID000003825': 'Ketoprofen',\n",
       " 'CID000002487': 'Torbugesic',\n",
       " 'CID000000214': '7-[3-Hydroxy-2-(3-hydroxyoct-1-enyl)-5-oxocyclopentyl]heptanoic acid',\n",
       " 'CID000002405': 'Bisoprolol',\n",
       " 'CID000003648': 'Morphinan-6-one, 4,5alpha-epoxy-3-hydroxy-17-methyl-',\n",
       " 'CID000000772': 'Heparin',\n",
       " 'CID000003365': 'Fluconazole',\n",
       " 'CID000002609': 'Lilly 99638',\n",
       " 'CID000002656': '7-[[2-(2-Amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-6-oxido-5-oxo-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate',\n",
       " 'CID000005523': 'Ultram',\n",
       " 'CID000003661': 'L-Hyoscyamine',\n",
       " 'CID000003308': 'Etodolac',\n",
       " 'CID000005203': '4-(3,4-Dichlorophenyl)-n-methyl-1,2,3,4-tetrahydronaphthalen-1-amine',\n",
       " 'CID000004201': 'Minoxidil',\n",
       " 'CID000003043': 'CID 3043',\n",
       " 'CID000004509': '1-[(5-Nitro-2-furanyl)methylideneamino]imidazolidine-2,4-dione',\n",
       " 'CID000003222': '1-(2-{[1-(Ethoxycarbonyl)-3-phenylpropyl]amino}propanoyl)proline maleate',\n",
       " 'CID000005040': '(RS)-rapamycin',\n",
       " 'CID000003404': '2-[[5-Methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine',\n",
       " 'CID000004679': 'Pantoprazole',\n",
       " 'CID000060147': '(+)-Tamsulosin',\n",
       " 'CID000005077': 'Exelon',\n",
       " 'CID000003878': 'Lamotrigine',\n",
       " 'CID000002244': 'Aspirin',\n",
       " 'CID000003345': 'Fentanyl',\n",
       " 'CID000027661': 'Isosorbide mononitrate',\n",
       " 'CID000004054': 'Memantine',\n",
       " 'CID000003911': 'Leuprelin Acetate',\n",
       " 'CID000003348': 'Fexofenadine',\n",
       " 'CID000002771': 'Citalopram',\n",
       " 'CID000003279': 'Etambutol',\n",
       " 'CID000004253': 'Nepenthe',\n",
       " 'CID000003333': 'Felodipine',\n",
       " 'CID000060795': 'Aripiprazole',\n",
       " 'CID000000453': 'Hexitol',\n",
       " 'CID000000159': '5-[5-Hydroxy-4-(3-hydroxyoct-1-enyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoic acid',\n",
       " 'CID000003419': '4-Cyclohexyl-1-[2-[(2-methyl-1-propanoyloxypropoxy)-(4-phenylbutyl)phosphoryl]acetyl]pyrrolidine-2-carboxylate',\n",
       " 'CID000005533': 'Trazodone',\n",
       " 'CID000005379': 'Gatifloxacin',\n",
       " 'CID000005039': 'Ranisen',\n",
       " 'CID000003463': 'Gemfibrozil',\n",
       " 'CID000000598': '2-Mercaptoethanesulfonic acid',\n",
       " 'CID000002284': 'Baclofen',\n",
       " 'CID000002662': 'Celecoxib',\n",
       " 'CID003085017': 'Sevelamer',\n",
       " 'CID000004829': 'Pioglitazone',\n",
       " 'CID000003385': '5-Fluorouracil',\n",
       " 'CID000003203': 'Rac-Efavirenz',\n",
       " 'CID000003954': 'Loperamide(1+)',\n",
       " 'CID000002153': 'Theophylline',\n",
       " 'CID000005152': 'Salmeterol',\n",
       " 'CID000005645': '3,7-Dihydroxycholan-24-oic acid',\n",
       " 'CID000005717': 'Zafirlukast',\n",
       " 'CID000002726': 'Chlorpromazine',\n",
       " 'CID000004999': 'Quazepam',\n",
       " 'CID000004547': '2-Ethoxy-4-[2-[[3-methyl-1-(2-piperidin-1-ylphenyl)butyl]amino]-2-oxoethyl]benzoic acid',\n",
       " 'CID000002471': 'Bumetanide',\n",
       " 'CID000003305': 'Etidronic acid',\n",
       " 'CID000002806': 'Clopidogrelum',\n",
       " 'CID000002631': '3-(Acetyloxymethyl)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate',\n",
       " 'CID000003410': 'Formoterol',\n",
       " 'CID000003449': 'Epigalanthamin',\n",
       " 'CID000002083': 'Salbutamol',\n",
       " 'CID000001690': '3,5,12-Trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-ammonio-2,3,6-trideoxyhexopyranoside',\n",
       " 'CID000002617': '3-{[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-7-[(1H-tetrazol-1-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate',\n",
       " 'CID000005731': '2-Oxazolidinone, 4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-',\n",
       " 'CID000004046': 'Mefloquine',\n",
       " 'CID000001972': '3-(4-Amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy-19,25,27,30,31,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxylic acid',\n",
       " 'CID000004900': 'delta-E',\n",
       " 'CID000003152': 'Donepezil',\n",
       " 'CID000000444': 'Bupropion',\n",
       " 'CID000005726': 'Aztec',\n",
       " 'CID000004585': 'CID 4585',\n",
       " 'CID000005078': 'Rizatriptan',\n",
       " 'CID000041693': 'Sufentanil',\n",
       " 'CID000005372': '8-Epi Tacrolimus',\n",
       " 'CID000003961': 'Losartan',\n",
       " 'CID000004691': '3-(1,3-Benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine',\n",
       " 'CID000004594': 'Omeprazole',\n",
       " 'CID000004927': 'Promethazine',\n",
       " 'CID000004091': 'Metformin',\n",
       " 'CID000001117': 'Sulfate',\n",
       " 'CID000005076': 'N-[3-Hydroxy-5-[[3-methyl-2-[[[methyl-[(2-propan-2-yl-4-thiazolyl)methyl]amino]-oxomethyl]amino]-1-oxobutyl]amino]-1,6-diphenylhexan-2-yl]carbamic acid 5-thiazolylmethyl ester',\n",
       " 'CID000003355': '[2,5-Bis(2,2,2-trifluoroethoxy)benzoyl]-(piperidin-2-ylmethyl)azanium',\n",
       " 'CID000004112': 'Amethopterin',\n",
       " 'CID000005412': 'CID 5412',\n",
       " 'CID000003108': 'Dipyridamole',\n",
       " 'CID000002250': '7-[4-[Anilino(oxo)methyl]-2-(4-fluorophenyl)-3-phenyl-5-propan-2-yl-1-pyrrolyl]-3,5-dihydroxyheptanoic acid',\n",
       " 'CID000002265': 'Azathioprine',\n",
       " 'CID000002801': 'Clomipramine',\n",
       " 'CID000059708': 'Etiracetam',\n",
       " 'CID000003877': '4-Amino-1-((2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one',\n",
       " 'CID000002749': 'Ciclopirox',\n",
       " 'CID000002720': 'Chlorothiazide',\n",
       " 'CID000003639': 'Hydrochlorothiazide',\n",
       " 'CID000004634': 'Oxybutynin',\n",
       " 'CID000002764': 'Ciprofloxacin',\n",
       " 'CID000000942': '3-(1-Methylpyrrolidin-2-yl)pyridine',\n",
       " 'CID000004211': 'Mitotane',\n",
       " 'CID000004170': 'Metolazone',\n",
       " 'CID000003746': 'Atrovent',\n",
       " 'CID000003042': 'Dicyclomine',\n",
       " 'CID000001206': 'DL-Methamphetamine',\n",
       " 'CID000004609': '(2-Azanidylcyclohexyl)azanide;oxalic acid;platinum(2+)',\n",
       " 'CID000004411': 'Solgol',\n",
       " 'CID000004138': '3-Hydroxy-alpha-methyl-DL-tyrosine',\n",
       " 'CID000005212': 'CID 5212',\n",
       " 'CID000002311': '2-[3-[(1-Ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid',\n",
       " 'CID000003148': 'Anzemet',\n",
       " 'CID000083786': 'CID 83786',\n",
       " 'CID000001775': 'Phenytoin',\n",
       " 'CID000003767': 'Isoniazid',\n",
       " 'CID000002658': '3-(Carbamoyloxymethyl)-7-[[2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate',\n",
       " 'CID000054454': 'Simvastatin',\n",
       " 'CID000000861': 'Rathyronine',\n",
       " 'CID000003255': 'Ilotycin',\n",
       " 'CID000005512': '2-(3-(Diisopropylamino)-1-phenylpropyl)-4-methylphenol',\n",
       " 'CID000003672': 'Ibuprofen',\n",
       " 'CID000002550': '1-(2-Methyl-3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid',\n",
       " 'CID000003032': 'Voltaren',\n",
       " 'CID000002187': 'Anastrozole',\n",
       " 'CID000002267': 'Azelastine',\n",
       " 'CID000005514': 'Topiramate-13C6',\n",
       " 'CID000001546': 'Leustat',\n",
       " 'CID000041781': 'Torsemide',\n",
       " 'CID000002249': 'Atenolol',\n",
       " 'CID000004599': '1-(3-Hexyl-4-oxooxetan-2-yl)tridecan-2-yl 2-formamido-4-methylpentanoate',\n",
       " 'CID000003488': 'Glyburide',\n",
       " 'CID000002951': 'Dantrolene(1-)',\n",
       " 'CID000004740': 'Pentoxifylline',\n",
       " 'CID000002092': 'Alfuzosin',\n",
       " 'CID000005253': 'Sotalol',\n",
       " 'CID000003249': '3-[2-[1-(5,6-Dimethylhept-3-en-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol',\n",
       " 'CID000003690': 'Ifosfamide',\n",
       " 'CID000003883': 'Lansoprazole',\n",
       " 'CID000004510': 'Nitroglycerin',\n",
       " 'CID000002678': 'Cetirizine',\n",
       " 'CID000002818': 'CID 2818',\n",
       " 'CID000065999': 'Telmisartan',\n",
       " 'CID000002462': 'Rhinocort',\n",
       " 'CID000002895': 'Cyclobenzaprine',\n",
       " 'CID000008953': 'CID 8953',\n",
       " 'CID000002435': 'Brimonidine',\n",
       " 'CID000003325': 'Famotidine',\n",
       " 'CID000003003': 'Celestone',\n",
       " 'CID000003379': 'Nasalide',\n",
       " 'CID000002812': 'Clotrimazole',\n",
       " 'CID000003516': 'Guaifenesin',\n",
       " 'CID000002524': '1,25-Dihydroxyvitamin D3',\n",
       " 'CID000003706': '1-[4-Benzyl-2-hydroxy-5-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-5-oxopentyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide',\n",
       " 'CID000060865': '2-[11-[3-(Dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetic acid',\n",
       " 'CID000003478': 'Glipizide',\n",
       " 'CID000003367': 'Fludarabine Base',\n",
       " 'CID000005656': 'Venlafaxine',\n",
       " 'CID000002803': 'Clonidine',\n",
       " 'CID000005401': 'Terazosin',\n",
       " 'CID000062924': 'S-(Fluoromethyl) (6S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioate',\n",
       " 'CID000004943': 'Propofol',\n",
       " 'CID000000581': 'N-Acetyl-DL-cysteine',\n",
       " 'CID000004052': 'CID 4052',\n",
       " 'CID000068844': 'Brinzolamide',\n",
       " 'CID000005732': 'Zolpidem',\n",
       " 'CID000004409': 'Nabumetone',\n",
       " 'CID000004812': '2-Methyl-3-(3,7,11,15-tetramethylhexadec-2-enyl)naphthalene-1,4-dione',\n",
       " 'CID000003310': \"4'-Demethylepipodophyllotoxin 9-(4,6-O-ethylidene-beta-D-glucopyranoside)\",\n",
       " 'CID000005073': 'Risperidone',\n",
       " 'CID000003510': 'Granisetron',\n",
       " 'CID000125889': '(3R)-3-(Aminomethyl)-5-methylhexanoic acid',\n",
       " 'CID000003350': '4-Azaandrost-1-ene-17-carboxamide, N-(1,1-dimethylethyl)-3-oxo-, (5alpha,17beta)-',\n",
       " 'CID000003962': 'Monacolin K',\n",
       " 'CID000004885': 'N6-Propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine',\n",
       " 'CID000003658': 'Hydroxyzine',\n",
       " 'CID000004189': 'Miconazole',\n",
       " 'CID000005291': 'Imatinib',\n",
       " 'CID000002978': 'delta9-Tetrahydrocannabinol',\n",
       " 'CID000003339': 'Fenofibrate',\n",
       " 'CID000002476': '[5alpha,7alpha(S)]-17-(Cyclopropylmethyl)-alpha-(1,1-dimethylethyl)-4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-alpha-methyl-6,14-ethenomorphinan-7-methanol',\n",
       " 'CID000003652': 'Hydroxychloroquine',\n",
       " 'CID000072054': '2-(1-(2-(2,3-Dihydrobenzofuran-5-yl)ethyl)pyrrolidin-3-yl)-2,2-diphenylacetamide',\n",
       " 'CID000002308': 'Pregna-1,4-diene-3,20-dione, 9-chloro-11,17,21-trihydroxy-16-methyl-, (11beta,16beta)-',\n",
       " 'CID000000143': 'CID 143',\n",
       " 'CID000002786': 'Cleocin',\n",
       " 'CID000003676': 'Lidocaine',\n",
       " 'CID000001071': '9-cis Retinol',\n",
       " 'CID000004513': 'Axid Ar',\n",
       " 'CID000016231': 'Amiloride',\n",
       " 'CID000004894': '11,17,21-Trihydroxypregna-1,4-diene-3,20-dione',\n",
       " 'CID000003393': 'Flurazepam',\n",
       " 'CID000005735': 'Zopiclone',\n",
       " 'CID000003154': '4-(Ethylamino)-6-methyl-5,6-dihydro-4h-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide',\n",
       " 'CID000000191': '2-(6-Aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol',\n",
       " 'CID000002477': 'Buspirone',\n",
       " 'CID000006691': 'CID 6691',\n",
       " 'CID000000937': 'Nicotinate',\n",
       " 'CID000004723': 'Pemoline',\n",
       " 'CID000002955': 'Dapsone',\n",
       " 'CID000002160': 'Amitriptyline',\n",
       " 'CID000003008': 'Racemethorphan',\n",
       " 'CID000003158': 'Doxepin',\n",
       " 'CID000003157': 'Doxazosin',\n",
       " 'CID000003324': 'Famciclovir',\n",
       " 'CID000004171': 'Metoprolol',\n",
       " 'CID000004583': 'Ofloxacin',\n",
       " 'CID000005538': '3,7-Dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid',\n",
       " 'CID000003168': 'Droperidol',\n",
       " 'CID000003476': 'Glimepiride',\n",
       " 'CID000004536': '17-Ethynyl-17-hydroxyestr-4-en-3-one',\n",
       " 'CID000002474': 'Bupivacaine',\n",
       " 'CID000002171': '6-{[Amino(4-hydroxyphenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid',\n",
       " 'CID000004200': 'CID 4200',\n",
       " 'CID000003736': 'Iopromide',\n",
       " 'CID000005487': 'Tizanidine',\n",
       " 'CID000000815': '(2R,3S,4S,5R,6R)-2-(Aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4,5-triol',\n",
       " 'CID000005544': 'Mycolog',\n",
       " 'CID000005496': 'Nebramycin factor 6',\n",
       " 'CID000005672': 'Vinorelbine base',\n",
       " 'CID000003403': '7-[3-(4-Fluorophenyl)-1-propan-2-yl-2-indolyl]-3,5-dihydroxy-6-heptenoic acid',\n",
       " 'CID000004236': 'Modafinil',\n",
       " 'CID000004614': 'Oxaprozin',\n",
       " 'CID000004168': 'Metoclopramide',\n",
       " 'CID000003902': 'Letrozole',\n",
       " 'CID000003780': 'D-Glucitol, 1,4:3,6-dianhydro-, dinitrate',\n",
       " 'CID000005402': 'N,6,6-Trimethyl-N-(1-naphthalenylmethyl)-1-hept-2-en-4-ynamine',\n",
       " 'CID000005002': 'Quetiapine',\n",
       " 'CID000004463': 'Nevirapine',\n",
       " 'CID000001971': '[4-[2-Amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol',\n",
       " 'CID000005426': 'Thalidomide',\n",
       " 'CID000154059': 'Solifenacin',\n",
       " 'CID000004873': 'Potassium chloride',\n",
       " 'CID000002269': '2-Ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-{[3,4,6-trideoxy-3-(dimethylamino)hexopyranosyl]oxy}-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideoxy-3-C-methyl-3-O-methylhexopyranoside',\n",
       " 'CID000005064': '1-[3,4-Dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1,2,4-triazole-3-carboxamide',\n",
       " 'CID000004419': 'Morphinan-3,6,14-triol, 17-(cyclobutylmethyl)-4,5-epoxy-, (5alpha,6alpha)-',\n",
       " 'CID000004666': '[4,12-Diacetyloxy-15-(3-benzamido-2-hydroxy-3-phenylpropanoyl)oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate',\n",
       " 'CID000003642': '[11-Hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] butanoate',\n",
       " 'CID000001046': 'Pyrazinamide',\n",
       " 'CID000054374': '10-(4-Aminobutyl)-19-[(2-amino-3-phenylpropanoyl)amino]-16-benzyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide',\n",
       " 'CID000001983': 'Acetaminophen',\n",
       " 'CID000002676': '7-[4-(4-Fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)pyridin-3-yl]-3,5-dihydroxyhept-6-enoic acid',\n",
       " 'CID000003198': 'Econazole',\n",
       " 'CID000003928': 'Lincomycine',\n",
       " 'CID000068740': 'Zoledronic acid',\n",
       " 'CID000005651': '4-Methyl-2-(methylamino)pentanoyl]amino}-20,23,26,42,44',\n",
       " 'CID000002142': 'Briclin',\n",
       " 'CID000004603': 'Ethyl 4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylate',\n",
       " 'CID000130881': 'Olmesartan medoxomil',\n",
       " 'CID000003121': 'Valproic acid',\n",
       " 'CID000004428': '17-(Cyclopropylmethyl)-4,5alpha-epoxy-3,14-dihydroxymorphinan-6-one',\n",
       " 'CID000060852': 'Ibandronic Acid',\n",
       " 'CID000002949': 'Pregna-2,4-dien-20-yno[2,3-d]isoxazol-17-ol, (17alpha)-',\n",
       " 'CID000001978': 'Acebutolol',\n",
       " 'CID000000158': '8-Iso PROSTAGLANDIN E2',\n",
       " 'CID000003869': 'Labetalol',\n",
       " 'CID000034312': 'Oxcarbazepine',\n",
       " 'CID000000564': 'Aminocaproic acid',\n",
       " 'CID000156419': 'Cinacalcet',\n",
       " 'CID000027686': '5-[3-(2-Carboxy-4-oxochromen-6-yl)oxy-2-hydroxypropoxy]-4-oxochromene-2-carboxylic acid',\n",
       " 'CID000002713': 'Chlorhexidine Base',\n",
       " 'CID000000085': 'Carnitinium',\n",
       " 'CID000077993': 'Eletriptan',\n",
       " 'CID000003702': 'Indapamide',\n",
       " 'CID000005184': '(-)-Scopolamine',\n",
       " 'CID000005466': '1-[4,4-Bis(3-methylthiophen-2-yl)but-3-en-1-yl]piperidine-3-carboxylic acid',\n",
       " 'CID000004178': 'Mexiletine',\n",
       " 'CID000002375': 'Bicalutamide',\n",
       " 'CID000003117': 'Disulfiram',\n",
       " 'CID000005596': 'Regurin',\n",
       " 'CID000003763': 'Isoflurane',\n",
       " 'CID000060835': 'Duloxetine',\n",
       " 'CID000002646': '7-[[2-Amino-2-(4-hydroxyphenyl)-1-oxoethyl]amino]-8-oxo-3-prop-1-enyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid',\n",
       " 'CID000004499': 'Nisoldipine',\n",
       " 'CID000002512': 'N-[3-(Dimethylamino)propyl]-N-(ethylcarbamoyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide',\n",
       " 'CID000003114': 'Disopyramide',\n",
       " 'CID000005650': \"N-Pentanoyl-N-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-L-valine\",\n",
       " 'CID000003414': 'Phosphonatoformate',\n",
       " 'CID000002099': 'Alosetron',\n",
       " 'CID000003454': 'CID 3454',\n",
       " 'CID000003675': 'Phenelzine',\n",
       " 'CID000004058': 'Meperidine',\n",
       " 'CID000004539': 'Norfloxacin',\n",
       " 'CID000110635': 'Tadalafil',\n",
       " 'CID000004075': 'Mesalamine',\n",
       " 'CID000004991': 'Pyridostigmine',\n",
       " 'CID000004044': 'Mefenamic acid',\n",
       " 'CID000002995': 'Desipramine',\n",
       " 'CID000060184': \"2'-Epi-Perindopril, (2'R)-\",\n",
       " 'CID000004674': 'Pamidronic acid',\n",
       " 'CID000004205': 'Mirtazapine',\n",
       " 'CID000005095': 'Ropinirole',\n",
       " 'CID000104865': 'Bosentan',\n",
       " 'CID000002141': 'Amifostine',\n",
       " 'CID000004771': 'Phentermine',\n",
       " 'CID000060877': 'Emtricitabine',\n",
       " 'CID000002130': 'Amantadine',\n",
       " 'CID000152945': '(1S,3As,3bS,5aR,9aR,11aS)-N-[2,5-bis(trifluoromethyl)phenyl]-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide',\n",
       " 'CID000071329': 'Dofetilide',\n",
       " 'CID000060843': 'CID 60843',\n",
       " 'CID000002519': 'Caffeine',\n",
       " 'CID000005029': 'Rabeprazole',\n",
       " 'CID000005408': 'Virormone',\n",
       " 'CID000005978': 'Vincristine',\n",
       " 'CID000150311': 'Ezetimibe',\n",
       " 'CID000003040': '6-({[3-(2,6-Dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate',\n",
       " 'CID000064147': 'CID 64147',\n",
       " 'CID000005381': 'Tazarotene',\n",
       " 'CID000004064': 'Meprobamate',\n",
       " 'CID000002712': 'Chlordiazepoxide',\n",
       " 'CID000024486': 'Calcium chloride, hexahydrate',\n",
       " 'CID000060164': 'Adapalene',\n",
       " 'CID000002478': 'Busulfan',\n",
       " 'CID000003278': 'Ethacrynic acid',\n",
       " 'CID000003373': 'Flumazenil',\n",
       " 'CID000002622': '7-[[2-(2-Amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate',\n",
       " 'CID000004856': 'CID 4856',\n",
       " 'CID000032797': '(9R,17R)-17-(2-Chloroacetyl)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one',\n",
       " 'CID000002610': 'Oracefal',\n",
       " 'CID000004819': '2(3H)-Furanone, 3-ethyldihydro-4-[(1-methyl-1H-imidazol-5-yl)methyl]-, (3S-cis)-',\n",
       " 'CID000005453': 'Thiotepa',\n",
       " 'CID000003914': 'Bunolol',\n",
       " 'CID000003784': 'Isradipine',\n",
       " 'CID000014888': 'Arsenic trioxide',\n",
       " 'CID000002708': 'Chlorambucil',\n",
       " 'CID000170361': 'Varenicline',\n",
       " 'CID000005734': 'Zonisamide',\n",
       " 'CID000004911': 'Probenecid',\n",
       " 'CID000004449': 'Nefazodone',\n",
       " 'CID000003066': 'Dihydroegotamine',\n",
       " 'CID000087177': '4-O-alpha-D-Glucopyranosyl-D-fructose',\n",
       " 'CID000000119': 'gamma-Aminobutyric acid',\n",
       " 'CID000054688': 'Biaxin XL',\n",
       " 'CID000005376': '2-[4-(1,2-Diphenylbut-1-enyl)phenoxy]-N,N-dimethylethanamine',\n",
       " 'CID000004053': 'Sarcolysin',\n",
       " 'CID000003964': 'Loxapine',\n",
       " 'CID000004425': 'Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-, (5alpha)-',\n",
       " 'CID000002274': '2-[[1-(2-Amino-1,3-thiazol-4-yl)-2-[(2-methyl-4-oxo-1-sulfoazetidin-3-yl)amino]-2-oxoethylidene]amino]oxy-2-methylpropanoic acid',\n",
       " 'CID000004616': 'Oxazepam',\n",
       " 'CID000005525': '1-[2-[(1-Ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid',\n",
       " 'CID000005155': 'Stavudine (d4T)',\n",
       " 'CID000004675': '[17-Acetyloxy-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate',\n",
       " 'CID000010631': 'Medroxyprogesterone',\n",
       " 'CID000004845': 'Pirbuterol',\n",
       " 'CID000003734': 'Bracco 15000',\n",
       " 'CID000002973': 'Deferoxamine',\n",
       " 'CID000003461': '4-Amino-1-[3,3-difluoro-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-pyrimidinone',\n",
       " 'CID000005297': \"D-Streptamine, O-2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl-(1.fwdarw.2)-O-5-deoxy-3-C-formyl-alpha-L-lyxofuranosyl-(1.fwdarw.4)-N,N'-bis(aminoiminomethyl)-\",\n",
       " 'CID000123620': 'B.Mometason',\n",
       " 'CID000054808': 'Chloromethyl (8xi,9xi,11beta,14xi,17alpha)-17-[(ethoxycarbonyl)oxy]-11-hydroxy-3-oxoandrosta-1,4-diene-17-carboxylate',\n",
       " 'CID000013342': 'Vinblastine',\n",
       " 'CID000002732': 'Chlorthalidone',\n",
       " 'CID000003827': 'Ketotifen',\n",
       " 'CID000148192': 'Atazanavir',\n",
       " 'CID000003372': 'Fluphenazine',\n",
       " 'CID000048175': '[(6S,9R,16S,17R)-17-(2-Chloroacetyl)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate',\n",
       " 'CID000004748': 'Perphenazine',\n",
       " 'CID000002637': '3-[(Carbamoyloxy)methyl]-7-methoxy-8-oxo-7-[(thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate',\n",
       " 'CID000054841': 'Atomoxetine',\n",
       " 'CID000060953': 'Capecitabine',\n",
       " 'CID000047320': 'Atracurium besylate',\n",
       " 'CID000003394': 'Flurbiprofen',\n",
       " 'CID000002177': '[(3S)-Oxolan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate',\n",
       " 'CID000005035': 'Raloxifene',\n",
       " 'CID000003467': 'Gentamicin',\n",
       " 'CID000002019': 'Actinomycin D',\n",
       " 'CID000005472': 'Ticlopidine',\n",
       " 'CID000002733': 'Chlorzoxazone',\n",
       " 'CID000004730': '3,3-Dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate',\n",
       " 'CID000056959': 'Ranolazine',\n",
       " 'CID000004828': 'Pindolol',\n",
       " 'CID000005195': 'Deprenyl',\n",
       " 'CID000003821': 'Ketamine',\n",
       " 'CID000036339': 'Amidate',\n",
       " 'CID004659568': '2-Cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide',\n",
       " 'CID005282226': 'Travoprost',\n",
       " 'CID000005394': 'Temozolomide',\n",
       " 'CID000005719': 'Zaleplon',\n",
       " 'CID000003494': 'Glycopyrronium bromide',\n",
       " 'CID000004607': '3,3-Dimethyl-6-{[(5-methyl-3-phenylisoxazol-4-yl)carbonyl]amino}-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate',\n",
       " 'CID000160051': 'Colesevelam',\n",
       " 'CID000074989': 'Atovaquone',\n",
       " 'CID000148211': 'Palonosetron, (3aR)-',\n",
       " 'CID000005578': 'Trimethoprim',\n",
       " 'CID000071616': 'Voriconazole',\n",
       " 'CID000005572': 'Trihexyphenidyl',\n",
       " 'CID000027991': 'Ddavp',\n",
       " 'CID000003059': 'Diflunisal',\n",
       " 'CID000005215': 'Sulfadiazine',\n",
       " 'CID000077999': 'Rosiglitazone',\n",
       " 'CID000124087': 'Desloratadine',\n",
       " 'CID000002283': 'Chembl3039230',\n",
       " 'CID000122316': 'N-2-Propynyl-1-indanamine',\n",
       " 'CID003468412': '20-(4-Amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy-4,6,8,11,12,16,18,36-octahydroxy-35,37,38-trimethyl-2,14-dioxo-1-oxacyclooctatriaconta-21,23,25,27,31,33-hexaene-17-carboxylic acid',\n",
       " 'CID000004473': 'Benzyl-[2-[5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonyl]oxyethyl]-methylazanium',\n",
       " 'CID000047725': 'Goserelinacetate',\n",
       " 'CID000028112': 'Lithium tetrahydridoaluminate',\n",
       " 'CID000004440': 'Naratriptan',\n",
       " 'CID000003741': 'Ioversol',\n",
       " 'CID000004095': 'Methadone',\n",
       " 'CID000004497': 'Nimodipine',\n",
       " 'CID000125017': 'Desvenlafaxine',\n",
       " 'CID000004451': 'N-Tert-butyl-2-[2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylsulfanylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide',\n",
       " 'CID000024011': 'Selenium sulfide',\n",
       " 'CID000004542': 'Ovrette',\n",
       " 'CID000003382': 'Lidex',\n",
       " 'CID000019090': 'Megestrol',\n",
       " 'CID004475485': '7-[4-(4-Fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyheptanoic acid',\n",
       " 'CID000060854': 'Ziprasidone',\n",
       " 'CID000667490': 'Mercaptopurine',\n",
       " 'CID000012536': '(2S,4R,8S,12S)-11-Hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one',\n",
       " 'CID000060754': 'Gadodiamide',\n",
       " 'CID000005584': 'Trimipramine',\n",
       " 'CID000119182': 'Clofarabine',\n",
       " 'CID003081884': 'Glatiramer acetate',\n",
       " 'CID000004195': 'Midodrine',\n",
       " 'CID000002800': 'Clomifene',\n",
       " 'CID000000298': '2,2-Dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide',\n",
       " 'CID000197712': '(+/-)-Ambrisentan',\n",
       " 'CID000004506': 'Nitrazepam',\n",
       " 'CID000003724': 'Iodixanol',\n",
       " 'CID000072467': '3-[[2-[2-[2-[[2-[[4-[[2-[[6-Amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[(2R,3S,4S,5S,6S)-3-[(2R,3S,4S,5R,6R)-4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-2-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonyl]amino]propyl-dimethylsulfanium',\n",
       " 'CID000119607': 'Valdecoxib',\n",
       " 'CID000041317': '9-(4-Methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoic acid',\n",
       " 'CID000009052': 'CID 9052',\n",
       " 'CID000004745': '8beta-[(Methylthio)methyl]-6-propylergoline',\n",
       " 'CID000004834': '6-{[{[(4-Ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}(phenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate',\n",
       " 'CID000002369': 'Betaxolol',\n",
       " 'CID000060696': '[(2S,3S,10S,13S,16S,17R)-3-Hydroxy-10,13-dimethyl-2-morpholin-4-yl-16-(1-prop-2-enylpyrrolidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate',\n",
       " 'CID003002190': 'Telithromycin',\n",
       " 'CID000005210': 'Sibutramine',\n",
       " 'CID000005878': 'Oxandrolone',\n",
       " 'CID000005352': '2-[6-Fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]-1-indenyl]acetic acid',\n",
       " 'CID000009433': 'Aminophylline',\n",
       " 'CID000002215': '6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol',\n",
       " 'CID000003291': 'Ethosuximide',\n",
       " 'CID000060815': 'Remifentanil',\n",
       " 'CID000004932': 'Propafenone',\n",
       " 'CID000002675': 'Cefixime Impurity D',\n",
       " 'CID000004993': 'Pyrimethamine',\n",
       " 'CID000005771': 'Oxytocin acetate salt hydrate',\n",
       " 'CID000153941': 'CID 153941',\n",
       " 'CID000003397': 'Flutamide',\n",
       " 'CID005311297': '2-[2-[(3R)-3-[3-[(E)-2-(7-Chloroquinolin-2-yl)ethenyl]phenyl]-3-sulfanylpropyl]phenyl]propan-2-ol',\n",
       " 'CID000093860': '[(1S)-3-Methyl-1-[[(2R)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoyl]amino]butyl]boronic acid',\n",
       " 'CID000057537': '1-Naphthalenol, 5,6,7,8-tetrahydro-6-[propyl[2-(2-thienyl)ethyl]amino]-',\n",
       " 'CID000001134': 'L-Thymidine',\n",
       " 'CID000005746': 'Mitomycin',\n",
       " 'CID000004727': 'DL-Penicillamine',\n",
       " 'CID000060612': 'Levomedetomidine',\n",
       " 'CID000042113': 'Desflurane',\n",
       " 'CID005282044': 'CID 5282044',\n",
       " 'CID000041774': 'Precose',\n",
       " 'CID000071158': 'Acamprosate',\n",
       " 'CID000056339': 'Fosphenytoin',\n",
       " 'CID000004739': 'CO-Vidarabine',\n",
       " 'CID000002727': 'Chlorpropamide',\n",
       " 'CID000060198': 'Exemestane',\n",
       " 'CID000002725': 'Chlorpheniramine',\n",
       " 'CID000004893': 'Prazosin',\n",
       " 'CID000002673': '7-[2-(1,4-Cyclohexadien-1-yl)-2-aminoacetylamino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid',\n",
       " 'CID000060787': '(2S)-N-[(2S,3R)-4-[(3S)-3-(Tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide',\n",
       " 'CID000005486': 'R-Tirofiban',\n",
       " 'CID000039860': '9H-Dibenzo(b,d)pyran-9-one, 3-(1,1-dimethylheptyl)-6,6a,7,8,10,10a-hexahydro-1-hydroxy-6,6-dimethyl-',\n",
       " 'CID000072938': '7-[3-(Aminomethyl)-4-methoxyimino-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid',\n",
       " 'CID000005454': 'Thiothixene',\n",
       " 'CID000002719': 'Chloroquine',\n",
       " 'CID000443871': '(2R)-3-Phenyl-2-[[(1S,3S)-3-propan-2-ylcyclohexanecarbonyl]amino]propanoic acid',\n",
       " 'CID000005593': 'Tropicamide',\n",
       " 'CID000004140': 'N-(1-Hydroxybutan-2-yl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide',\n",
       " 'CID000065027': 'CID 65027',\n",
       " 'CID000003730': 'Iohexol',\n",
       " 'CID000123631': 'Gefitinib',\n",
       " 'CID000036811': 'Dobutamine',\n",
       " 'CID000054786': '2-[[(1S,2S,3Ar,9aR)-2-hydroxy-1-[(3R)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]acetic acid',\n",
       " 'CID000091270': 'Moexipril',\n",
       " 'CID000444013': 'Gadoversetamide',\n",
       " 'CID000123606': 'Almotriptan',\n",
       " 'CID000110634': 'CID 110634',\n",
       " 'CID000150310': \"Methyl (1R,2S,9R,11S,14R,15S)-2,15-dimethyl-5,5'-dioxospiro[18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-ene-14,2'-oxolane]-9-carboxylate\",\n",
       " 'CID000005515': \"10-[(Dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione\",\n",
       " 'CID000005530': 'Tranylcypromine',\n",
       " 'CID000051263': 'Alfentanil',\n",
       " 'CID004183806': 'Methyl 7-[3-hydroxy-2-(4-hydroxy-4-methyloct-1-enyl)-5-oxocyclopentyl]heptanoate',\n",
       " 'CID000504578': '(2S,3S,4R,5R,6R)-5-Amino-6-[(2R,3S,4R,5S)-5-[(1R,2S,3R,6R)-3-amino-6-[(1S,2R,3R,4R,5R)-2-amino-5-(aminomethyl)-3,4-dihydroxycyclohexyl]oxy-2-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol',\n",
       " 'CID005311039': 'N-[(3S,6S,9S,11R,15S,18S,20R,21S,24S)-21-(2-Aminoethylamino)-3-[(1R)-3-amino-1-hydroxypropyl]-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20-dihydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide',\n",
       " 'CID000071273': 'N-(2,6-Dimethylphenyl)-1-propylpiperidine-2-carboxamide',\n",
       " 'CID000213039': 'Darunavir',\n",
       " 'CID000216326': 'Lenalidomide',\n",
       " 'CID000216239': 'Sorafenib',\n",
       " 'CID000002170': 'Amoxapine',\n",
       " 'CID000060871': 'Adefovir dipivoxil',\n",
       " 'CID000002370': 'Bethanechol',\n",
       " 'CID000115237': 'Paliperidone',\n",
       " 'CID000131536': 'Fosamprenavir',\n",
       " 'CID000054547': '7-[[2-(2-Amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid',\n",
       " 'CID000057469': 'Imiquimod',\n",
       " 'CID000444033': '2-[(1S,2S,4R,8S,9S,11S,12S,13R)-6-Cyclohexyl-11-hydroxy-9,13-dimethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-14,17-dien-8-yl]-2-oxoethyl 2-methylpropanoate',\n",
       " 'CID000657298': 'Propylthiouracil',\n",
       " 'CID000005721': '4-Guanidino-5-(acetylamino)-6-(1,2,3-trihydroxypropyl)-5,6-dihydro-4H-pyran-2-carboxylic acid',\n",
       " 'CID000176168': 'Fosrenol',\n",
       " 'CID005311048': 'Dichloromethanediamine',\n",
       " 'CID000176870': 'Erlotinib',\n",
       " 'CID000004645': 'CID 4645',\n",
       " 'CID000003637': 'Hydralazine',\n",
       " 'CID000005070': 'Riluzole',\n",
       " 'CID000151165': 'CID 151165',\n",
       " 'CID000104741': 'Fulvestrant',\n",
       " 'CID000002349': 'Pentids',\n",
       " 'CID000150610': 'Ertapenem',\n",
       " 'CID003062316': 'Dasatinib',\n",
       " 'CID000147912': '4-[4-[4-[4-[[(5R)-5-(2,4-Difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(2S,3S)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one',\n",
       " 'CID005311181': 'Iloprost',\n",
       " 'CID000004913': 'Procainamide',\n",
       " 'CID000077992': 'Frovatriptan',\n",
       " 'CID000508230': '2-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)acetic acid',\n",
       " 'CID005281007': 'CID 5281007',\n",
       " 'CID000002551': 'Carbastat',\n",
       " 'CID001349907': 'Methimazole',\n",
       " 'CID005311027': 'Bimatoprost',\n",
       " 'CID000004011': 'Maprotiline',\n",
       " 'CID000002232': '1-[2-[(3-Methyl-1,2,3,4-tetrahydroquinoline-8-yl)sulfonylamino]-5-guanidinopentanoyl]-4-methylpiperidine-2-carboxylic acid',\n",
       " 'CID000005052': 'Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (3beta,16beta,17alpha,18beta,20alpha)-',\n",
       " 'CID000163742': '(2S,3S,4R,5R,6R)-6-[(2R,3R,4R,5R)-6-[(2R,3S,4S,5R,6R)-2-Carboxy-4-hydroxy-6-[(2R,3S,4R,5R,6S)-4-hydroxy-6-methoxy-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-5-sulfooxyoxan-3-yl]oxy-5-(sulfoamino)-4-sulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid',\n",
       " 'CID000002182': 'CID 2182',\n",
       " 'CID000051634': 'Miglustat',\n",
       " 'CID000145068': 'Nitric oxide',\n",
       " 'CID005329102': 'Sunitinib',\n",
       " 'CID005381226': 'CID 5381226',\n",
       " 'CID006398525': 'CID 6398525',\n",
       " 'CID005493444': 'Aliskiren',\n",
       " 'CID005353980': 'CID 5353980',\n",
       " 'CID005481350': 'Tenofovir disoproxil',\n",
       " 'CID006447131': '(1R,9S,12S,13R,14S,17R,18Z,21S,23S,24R,25S,27R)-12-[(E)-1-[(1R,3R,4S)-4-Chloro-3-methoxycyclohexyl]prop-1-en-2-yl]-17-ethyl-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone',\n",
       " 'CID006398970': '(6R,7R)-7-[[2-(2-Amino-4-thiazolyl)-2-hydroxyimino-1-oxoethyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid',\n",
       " 'CID005281104': 'Paricalcitol',\n",
       " 'CID005487301': 'CID 5487301',\n",
       " 'CID005311082': '2-[(1R,4S,10S,13S,19S)-19-[4-(Diaminomethylideneamino)butyl]-10-(1H-indol-3-ylmethyl)-3,9,12,15,18,21,27-heptaoxo-24,25-dithia-2,8,11,14,17,20-hexazatricyclo[18.6.1.04,8]heptacosan-13-yl]acetic acid',\n",
       " 'CID006918453': 'Ridauran',\n",
       " 'CID005493381': 'CID 5493381',\n",
       " 'CID004479097': 'Cobalt;[5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl phosphate;hydrate',\n",
       " 'CID005362070': 'CID 5362070',\n",
       " 'CID005362420': 'Visudyne',\n",
       " 'CID006436173': 'Rifaximin',\n",
       " 'CID000003384': 'Fluoromethalone',\n",
       " 'CID006435110': 'Ivomec',\n",
       " 'CID004659569': 'Tolcapone',\n",
       " 'CID000082146': 'Bexarotene',\n",
       " 'CID000002266': 'Azelaic acid',\n",
       " 'CID005473385': '2-Amino-3,5-dihydropurine-6-thione',\n",
       " 'CID000003562': 'Halothane',\n",
       " 'CID000012620': 'Docosanol',\n",
       " 'CID000040976': '(17R)-13-Ethyl-17-ethynyl-17-hydroxy-11-methylidene-2,6,7,8,9,10,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one',\n",
       " 'CID000003381': 'Flucort',\n",
       " 'CID003086258': 'Polyhematoporphyrin',\n",
       " 'CID009571074': 'CID 9571074',\n",
       " 'CID000005482': 'Tioconazole'}"
      ]
     },
     "execution_count": 7,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "# Read CID mapping JSON\n",
    "with open('data/CID_mapping.json', 'r') as fp:\n",
    "    cid_mapping = json.load(fp)\n",
    "    \n",
    "cid_mapping"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 8,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
       "    .dataframe tbody tr th:only-of-type {\n",
       "        vertical-align: middle;\n",
       "    }\n",
       "\n",
       "    .dataframe tbody tr th {\n",
       "        vertical-align: top;\n",
       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>drug_1_code</th>\n",
       "      <th>drug_1_name</th>\n",
       "      <th>drug_2_code</th>\n",
       "      <th>drug_2_name</th>\n",
       "      <th>side_effect_code</th>\n",
       "      <th>side_effect_description</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>CID000002173</td>\n",
       "      <td>6-{[Amino(phenyl)acetyl]amino}-3,3-dimethyl-7-...</td>\n",
       "      <td>CID000003345</td>\n",
       "      <td>Fentanyl</td>\n",
       "      <td>C0151714</td>\n",
       "      <td>hypermagnesemia</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>CID000002173</td>\n",
       "      <td>6-{[Amino(phenyl)acetyl]amino}-3,3-dimethyl-7-...</td>\n",
       "      <td>CID000003345</td>\n",
       "      <td>Fentanyl</td>\n",
       "      <td>C0035344</td>\n",
       "      <td>retinopathy of prematurity</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>CID000002173</td>\n",
       "      <td>6-{[Amino(phenyl)acetyl]amino}-3,3-dimethyl-7-...</td>\n",
       "      <td>CID000003345</td>\n",
       "      <td>Fentanyl</td>\n",
       "      <td>C0004144</td>\n",
       "      <td>atelectasis</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>CID000002173</td>\n",
       "      <td>6-{[Amino(phenyl)acetyl]amino}-3,3-dimethyl-7-...</td>\n",
       "      <td>CID000003345</td>\n",
       "      <td>Fentanyl</td>\n",
       "      <td>C0002063</td>\n",
       "      <td>alkalosis</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>CID000002173</td>\n",
       "      <td>6-{[Amino(phenyl)acetyl]amino}-3,3-dimethyl-7-...</td>\n",
       "      <td>CID000003345</td>\n",
       "      <td>Fentanyl</td>\n",
       "      <td>C0004604</td>\n",
       "      <td>Back Ache</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "    drug_1_code                                        drug_1_name  \\\n",
       "0  CID000002173  6-{[Amino(phenyl)acetyl]amino}-3,3-dimethyl-7-...   \n",
       "1  CID000002173  6-{[Amino(phenyl)acetyl]amino}-3,3-dimethyl-7-...   \n",
       "2  CID000002173  6-{[Amino(phenyl)acetyl]amino}-3,3-dimethyl-7-...   \n",
       "3  CID000002173  6-{[Amino(phenyl)acetyl]amino}-3,3-dimethyl-7-...   \n",
       "4  CID000002173  6-{[Amino(phenyl)acetyl]amino}-3,3-dimethyl-7-...   \n",
       "\n",
       "    drug_2_code drug_2_name side_effect_code     side_effect_description  \n",
       "0  CID000003345    Fentanyl         C0151714             hypermagnesemia  \n",
       "1  CID000003345    Fentanyl         C0035344  retinopathy of prematurity  \n",
       "2  CID000003345    Fentanyl         C0004144                 atelectasis  \n",
       "3  CID000003345    Fentanyl         C0002063                   alkalosis  \n",
       "4  CID000003345    Fentanyl         C0004604                   Back Ache  "
      ]
     },
     "execution_count": 8,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "# Import dataset\n",
    "df_poly_se = pd.read_csv(\"data/ChChSe-Decagon_polypharmacy.csv\")\n",
    "df_poly_se.columns = ['drug_1_code', 'drug_2_code', 'side_effect_code', 'side_effect_description']\n",
    "\n",
    "# Perform code-name mapping\n",
    "df_poly_se['drug_1_name'] = df_poly_se['drug_1_code'].map(cid_mapping)\n",
    "df_poly_se['drug_2_name'] = df_poly_se['drug_2_code'].map(cid_mapping)\n",
    "\n",
    "# Rearrange columns\n",
    "new_cols = ['drug_1_code', 'drug_1_name', 'drug_2_code', 'drug_2_name', \n",
    "            'side_effect_code', 'side_effect_description']\n",
    "\n",
    "df_poly_se = df_poly_se[new_cols]\n",
    "df_poly_se.head()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 9,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "arterial pressure NOS decreased    28568\n",
       "anaemia                            27006\n",
       "Difficulty breathing               26037\n",
       "nausea                             25190\n",
       "neumonia                           24430\n",
       "Fatigue                            24260\n",
       "Pain                               23894\n",
       "diarrhea                           23848\n",
       "asthenia                           23515\n",
       "emesis                             23043\n",
       "edema extremities                  21981\n",
       "body temperature increased         21806\n",
       "pleural pain                       21781\n",
       "abdominal pain                     21410\n",
       "Hypoventilation                    21322\n",
       "chest pain                         21013\n",
       "dizziness                          20204\n",
       "Back Ache                          19930\n",
       "Head ache                          19803\n",
       "High blood pressure                19376\n",
       "Name: side_effect_description, dtype: int64"
      ]
     },
     "execution_count": 9,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "df_poly_se['side_effect_description'].value_counts()[:20]"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 10,
   "metadata": {
    "scrolled": true
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "DL-Thyroxine                                                                                           68416\n",
       "Salbutamol                                                                                             65709\n",
       "Acetaminophen                                                                                          62959\n",
       "Citalopram                                                                                             55784\n",
       "Celecoxib                                                                                              54811\n",
       "Bupropion                                                                                              54510\n",
       "Alendronic acid                                                                                        49899\n",
       "2-(6-Methoxy-2-naphthyl)propionic acid                                                                 48028\n",
       "Heparin                                                                                                45956\n",
       "Diazepam                                                                                               44579\n",
       "Clopidogrelum                                                                                          42653\n",
       "Cetirizine                                                                                             41945\n",
       "Lansoprazole                                                                                           40778\n",
       "Alprazolam                                                                                             40770\n",
       "Ciprofloxacin                                                                                          40369\n",
       "Lorazepam                                                                                              39618\n",
       "7-{[Amino(phenyl)acetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid    38612\n",
       "CID 2022                                                                                               38361\n",
       "13-Methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol                       38191\n",
       "Cyclobenzaprine                                                                                        38066\n",
       "dtype: int64"
      ]
     },
     "execution_count": 10,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "drugs = (df_poly_se['drug_1_name'].value_counts()).append(df_poly_se['drug_2_name'].value_counts())\n",
    "drugs[:20]"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 13,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "                                                 Pair  Qty\n",
      "0                          (Lansoprazole, Omeprazole)  540\n",
      "1                           (Celecoxib, Lansoprazole)  524\n",
      "2                             (Omeprazole, Rofecoxib)  494\n",
      "3                               (Rofecoxib, Zolpidem)  478\n",
      "4                             (Celecoxib, Gabapentin)  476\n",
      "5                               (Cetirizine, delta-E)  468\n",
      "6                              (Lorazepam, Rofecoxib)  466\n",
      "7                                (delta-E, Rofecoxib)  465\n",
      "8                                (Celecoxib, delta-E)  462\n",
      "9                              (Omeprazole, Percodan)  461\n",
      "10                              (Celecoxib, Zolpidem)  457\n",
      "11  (Celecoxib, S-(Fluoromethyl) (6S,9R,10S,11S,13...  451\n",
      "12  (3-(1,3-Benzodioxol-5-yloxymethyl)-4-(4-fluoro...  449\n",
      "13                              (Salbutamol, delta-E)  448\n",
      "14                           (Ciprofloxacin, delta-E)  448\n",
      "15                            (Lansoprazole, delta-E)  447\n",
      "16  (Citalopram, 4-(3,4-Dichlorophenyl)-n-methyl-1...  446\n",
      "17  (Rofecoxib, 4-(3,4-Dichlorophenyl)-n-methyl-1,...  443\n",
      "18                           (Citalopram, Gabapentin)  443\n",
      "19                                (Percodan, delta-E)  439\n"
     ]
    }
   ],
   "source": [
    "n = 20\n",
    "df_poly_se_sm = df_poly_se[['drug_1_name', 'drug_2_name']]\n",
    "L = Counter([y for x in df_poly_se_sm.values for y in combinations(x, 2)]).most_common(n)\n",
    "\n",
    "combi_df = pd.DataFrame(L, columns=['Pair', 'Qty'])\n",
    "print(combi_df)"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "___\n",
    "#### 2(c) Monopharmacy side effects"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 9,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
       "    .dataframe tbody tr th:only-of-type {\n",
       "        vertical-align: middle;\n",
       "    }\n",
       "\n",
       "    .dataframe tbody tr th {\n",
       "        vertical-align: top;\n",
       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th># STITCH</th>\n",
       "      <th>Individual Side Effect</th>\n",
       "      <th>Side Effect Name</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>CID003062316</td>\n",
       "      <td>C1096328</td>\n",
       "      <td>central nervous system mass</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>CID003062316</td>\n",
       "      <td>C0162830</td>\n",
       "      <td>Photosensitivity reaction</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>CID003062316</td>\n",
       "      <td>C1611725</td>\n",
       "      <td>leukaemic infiltration brain</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>CID003062316</td>\n",
       "      <td>C0541767</td>\n",
       "      <td>platelet adhesiveness abnormal</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>CID003062316</td>\n",
       "      <td>C0242973</td>\n",
       "      <td>Ventricular dysfunction</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "       # STITCH Individual Side Effect                Side Effect Name\n",
       "0  CID003062316               C1096328     central nervous system mass\n",
       "1  CID003062316               C0162830       Photosensitivity reaction\n",
       "2  CID003062316               C1611725    leukaemic infiltration brain\n",
       "3  CID003062316               C0541767  platelet adhesiveness abnormal\n",
       "4  CID003062316               C0242973         Ventricular dysfunction"
      ]
     },
     "execution_count": 9,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "df_mono_se = pd.read_csv(\"data/ChSe-Decagon_monopharmacy.csv\")\n",
    "df_mono_se.head()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 15,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
       "    .dataframe tbody tr th:only-of-type {\n",
       "        vertical-align: middle;\n",
       "    }\n",
       "\n",
       "    .dataframe tbody tr th {\n",
       "        vertical-align: top;\n",
       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>drug_code</th>\n",
       "      <th>drug_name</th>\n",
       "      <th>side_effect_code</th>\n",
       "      <th>side_effect_description</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>CID003062316</td>\n",
       "      <td>Dasatinib</td>\n",
       "      <td>C1096328</td>\n",
       "      <td>central nervous system mass</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>CID003062316</td>\n",
       "      <td>Dasatinib</td>\n",
       "      <td>C0162830</td>\n",
       "      <td>Photosensitivity reaction</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>CID003062316</td>\n",
       "      <td>Dasatinib</td>\n",
       "      <td>C1611725</td>\n",
       "      <td>leukaemic infiltration brain</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>CID003062316</td>\n",
       "      <td>Dasatinib</td>\n",
       "      <td>C0541767</td>\n",
       "      <td>platelet adhesiveness abnormal</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>CID003062316</td>\n",
       "      <td>Dasatinib</td>\n",
       "      <td>C0242973</td>\n",
       "      <td>Ventricular dysfunction</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "      drug_code  drug_name side_effect_code         side_effect_description\n",
       "0  CID003062316  Dasatinib         C1096328     central nervous system mass\n",
       "1  CID003062316  Dasatinib         C0162830       Photosensitivity reaction\n",
       "2  CID003062316  Dasatinib         C1611725    leukaemic infiltration brain\n",
       "3  CID003062316  Dasatinib         C0541767  platelet adhesiveness abnormal\n",
       "4  CID003062316  Dasatinib         C0242973         Ventricular dysfunction"
      ]
     },
     "execution_count": 15,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "# Import dataset\n",
    "df_mono_se = pd.read_csv(\"data/ChSe-Decagon_monopharmacy.csv\")\n",
    "df_mono_se.columns = ['drug_code', 'side_effect_code', 'side_effect_description']\n",
    "\n",
    "# Perform code-name mapping\n",
    "df_mono_se['drug_name'] = df_mono_se['drug_code'].map(cid_mapping)\n",
    "\n",
    "# Rearrange columns\n",
    "new_cols = ['drug_code', 'drug_name', 'side_effect_code', 'side_effect_description']\n",
    "\n",
    "df_mono_se = df_mono_se[new_cols]\n",
    "df_mono_se.head()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 17,
   "metadata": {
    "scrolled": true
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "Zoledronic acid                                                                                    1550\n",
       "Pamidronic acid                                                                                    1515\n",
       "3,7-Dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid                     1229\n",
       "Bupropion                                                                                          1186\n",
       "1-[3,4-Dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1,2,4-triazole-3-carboxamide                        1045\n",
       "Rofecoxib                                                                                           979\n",
       "2-[4-(1,2-Diphenylbut-1-enyl)phenoxy]-N,N-dimethylethanamine                                        947\n",
       "[(1S)-3-Methyl-1-[[(2R)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoyl]amino]butyl]boronic acid     927\n",
       "Letrozole                                                                                           896\n",
       "CID 2818                                                                                            871\n",
       "Capecitabine                                                                                        868\n",
       "1-[(5-Nitro-2-furanyl)methylideneamino]imidazolidine-2,4-dione                                      787\n",
       "Chlorhexidine Base                                                                                  782\n",
       "Meperidine                                                                                          747\n",
       "5-Fluorouracil                                                                                      737\n",
       "Name: drug_name, dtype: int64"
      ]
     },
     "execution_count": 17,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "df_mono_se['drug_name'].value_counts()[:15]"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 18,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "general physical health deterioration    301\n",
       "hypoaesthesia                            279\n",
       "mental status changes                    278\n",
       "tooth extraction                         276\n",
       "emotional distress                       275\n",
       "alanine aminotransferase increased       273\n",
       "condition aggravated                     270\n",
       "pollakiuria                              267\n",
       "staphylococcal infection                 266\n",
       "blood creatinine increased               263\n",
       "bone disorder                            263\n",
       "spinal osteoarthritis                    263\n",
       "dysgeusia                                257\n",
       "anhedonia                                249\n",
       "Gastrointestinal disorder                243\n",
       "Name: side_effect_description, dtype: int64"
      ]
     },
     "execution_count": 18,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "df_mono_se['side_effect_description'].value_counts()[:15]"
   ]
  }
 ],
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