gmseabra/properties.ipynb

## properties.ipynb
{
 "cells": [
  {
   "cell_type": "code",
   "execution_count": 1,
   "metadata": {},
   "outputs": [],
   "source": [
    "from rdkit import Chem, DataStructs\n",
    "from rdkit.Chem import Draw, PandasTools, Descriptors, rdMolDescriptors\n",
    "from IPython.display import HTML"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "metadata": {},
   "outputs": [],
   "source": [
    "def load_sdf_file(file,source,id_column):\n",
    "    \"\"\"\n",
    "    Reads molecules from an SDF file keeping only molecules \n",
    "    with valid SMILES, and assign a source field\n",
    "    \"\"\"\n",
    "    df = PandasTools.LoadSDF(file)\n",
    "    df['Source'] = source\n",
    "    df['ID'] = df[id_column]\n",
    "    df['SMILES'] = df['ROMol'].apply(Chem.MolToSmiles)\n",
    "    df['LogP']   = df['ROMol'].apply(Chem.Descriptors.MolLogP)\n",
    "    df['MolWt']  = df['ROMol'].apply(Chem.Descriptors.MolWt)\n",
    "    df['LipinskyHBA'] = df['ROMol'].apply(Chem.rdMolDescriptors.CalcNumLipinskiHBA)\n",
    "    df['LipinskyHBD'] = df['ROMol'].apply(Chem.rdMolDescriptors.CalcNumLipinskiHBD)\n",
    "    \n",
    "    df = df[['Source','ID','SMILES','LogP','MolWt','LipinskyHBA','LipinskyHBD','ROMol']]\n",
    "    return df"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "metadata": {},
   "outputs": [],
   "source": [
    "# Assumes there's a local file named \"chembl-26_phase-1.sdf\" with the SDF for the structures.\n",
    "df = load_sdf_file(\"chembl-26_phase-1.sdf\",\"ChEMBL_Phase-1\",\"ID\")"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "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>Source</th>\n",
       "      <th>ID</th>\n",
       "      <th>SMILES</th>\n",
       "      <th>LogP</th>\n",
       "      <th>MolWt</th>\n",
       "      <th>LipinskyHBA</th>\n",
       "      <th>LipinskyHBD</th>\n",
       "      <th>ROMol</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>ChEMBL_Phase-1</td>\n",
       "      <td>CHEMBL59990</td>\n",
       "      <td>O=P1(N(CCCl)CCCl)NC(SCCS(=O)(=O)O)CCO1</td>\n",
       "      <td>1.8311</td>\n",
       "      <td>401.274</td>\n",
       "      <td>7</td>\n",
       "      <td>2</td>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>ChEMBL_Phase-1</td>\n",
       "      <td>CHEMBL496748</td>\n",
       "      <td>O=C(O)CCC(NC(=O)NC(CCCCNCc1ccc(I)cc1)C(=O)O)C(...</td>\n",
       "      <td>1.6215</td>\n",
       "      <td>535.335</td>\n",
       "      <td>10</td>\n",
       "      <td>6</td>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>ChEMBL_Phase-1</td>\n",
       "      <td>CHEMBL1206245</td>\n",
       "      <td>COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(O[PH](=O...</td>\n",
       "      <td>2.9487</td>\n",
       "      <td>474.424</td>\n",
       "      <td>10</td>\n",
       "      <td>1</td>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>ChEMBL_Phase-1</td>\n",
       "      <td>CHEMBL146927</td>\n",
       "      <td>N[C@H]1CC(C(=O)O)CC1=C(F)F</td>\n",
       "      <td>0.9589</td>\n",
       "      <td>177.150</td>\n",
       "      <td>3</td>\n",
       "      <td>3</td>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>ChEMBL_Phase-1</td>\n",
       "      <td>CHEMBL1187120</td>\n",
       "      <td>CN(CCC=C1c2ccccc2CCc2ccccc21)C(=O)CCCN</td>\n",
       "      <td>3.8043</td>\n",
       "      <td>348.490</td>\n",
       "      <td>3</td>\n",
       "      <td>2</td>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAMgAAADICAIAAAAiOjnJAAAABmJLR0QA/wD/AP+gvaeTAAAdHUlEQVR4nO2deVzU1frHPzMw7CCIAhIoghvgqMl1m8HSANEy0l5ipXD1dg1zifKa4c0Ktc2bZXjLrrRermleXMGFH06urCqLIyqa4lKikCjrsAzMnN8fpzsRbsB8l2E475evXs53hud5aD6ec77ne57nkRBCwGBwjVTsABjmCRMWgxeYsBi8wITF4AUmLAYvMGExeIEJi8ELlqJ4LSwsfO6556qrq40xMnny5CVLlowYMYKrqBgcIhF+g3T79u0zZ86UyWRardYYO87Ozlqttri4uG/fvlzFxuAKoYXV2Njo7+9/9erVjz/+OCoqyhhTixYt2rFjx/PPP//DDz9wFR6DM4iwrF69GsDw4cNbWlqMNPXLL7/Y29sDOHr0KCexMThE0BGrtLR08ODBGo3m8OHDEyZMoBdPnjxZVFTUfiOTJk3y8vKif1+5cuWqVaseffTRkydPWlhYcB4wo/MIqeLZs2cDiIyMbH3x9ddf71DAe/fuNfxsfX19v379AHz11VdC/iKMhyLciJWbm6tQKKytrYuLi318fAzXt23blpaW1n47r7322rBhwwwvt27d+sILL7i5uf300089evTgMGCGUQijX71eP3r0aABvvfUW58Yfe+wxAMuWLePcMqPTCCSs7777DsAjjzxSW1vLufGCggKpVGplZXXhwgXOjTM6hxDCqq2t9fT0BLBp0yaeXPz1r38F8PTTT/Nkn9FRhBDW8uXLAYwdO1av1/Pkory8nC6w0tLSeHLB6BC8C6ukpMTGxkYikRw/fpxXRx999BEAf39/rVbLqyNGe+BdWNOnTwcwZ84cvh01NTUNGjQIwPr16/n2xXgo/Arr4MGDABwcHEpLS3l1RElJSQHg4uJy69YtAdwxHgCPwmppaaEbTh988AF/XtowefJkAAsXLhTMI+Oe8Ciszz//HICvr29DQwN/Xtpw7tw5mUxmYWGhVqsFc8q4G76EdefOnV69egHYuXMnTy7uR2xsLICJEycK7JfRGr6EJeK3K6KmGQZ4EZbo85EoszCjNbwIS/QVtCj3DYzWcJ9M0dLS4uHhYWdnFx8f3/q6kQeRH0pr+xYWFm+99Zatra2TkxOvThn3g5csncOHD9fX1+/fv5++LCkpmTJlyuLFi/nwRWlubh41alRsbGxdXR29sm/fvoaGhuzsbP6cMh4EH8Pg999/D8Dd3b26upoQcvHiRWtra6lUevLkST7cEUISEhIA+Pn5NTY2EkLy8vLoeYeffvqJJ4+MB8OLsPR6fXBwMIDly5fTK3/7298AKJVKPp5D375929XVFcCePXtae//73//OuS9GO+FruyE/P7/1mFFdXe3h4QHgv//9L+e+FixYACAkJIS+/M9//tN6vGSIAo8773PnzgUwbdo0+jIxMRGAt7e3RqPh0MuZM2csLS0tLS2LiooIIRqNhqYZ/vvf/+bQC6Oj8CissrIyelOWnp5OCNHpdH/6058ArFq1ikMvYWFhAF599VX6csWKFQCCgoJ0Oh2HXhgdhd/TDR9++CGAgICA5uZmQkhmZqZEIrG1tb127Ron9nfs2AGgZ8+eFRUVhJCff/7Zzs5OIpFkZGRwYp/RafgVVlNT08CBAwF8/vnn9EpkZCSA2bNnc2j8iy++oFdmzJgBICoqynjjDCPh/aDfzp07Abi4uLQZVI4dO2ak5ffff7/1cJiRkSGRSOzs7LgaDhnGIMSZ90mTJgF45ZVX6Mu3334bwMiRI41ZBt29gAsKCgLw7rvvchM0wziEENbZs2ctLS0tLCxOnz5NCKmvr6c3bt9++22nbf75z38G8Oyzz9KXGzdu5OOWk9FpBMorXLhwYeutpjZb8x2lzca6YZNs27ZtXAbNMAKBhGXYHE9JSSH32ppvP3dvrC9ZsoS/bX1G5xCuKMj69etbP847ceKEVCr18fGhL9vPqVOnbGxs+vTpU1NTQwgpLi6WyWRSqTQvL4+XuBmdQjhhNTc3y+VyAP/4xz/oleTk5M5l3F+5cuXQoUP071OmTAEwf/58zgJlcIGgZYx+/PFHAI6Ojjdu3ODE4N69ewE4OTndvHmTE4MMrhC6ol9ERASAF1980XhTWq128ODBANatW2e8NQa3CC2sS5cu0bNZJ06cMNLUJ598AmDAgAFNTU2cxMbgEBGqJr/xxhtr1651d3cfPnx4p43odLqcnJz6+vq9e/c+9dRTHIbH4AQR6rx7e3tbWlrW1NQcOHDAGDteXl7Nzc2GeqQMk0LoESs3N3fChAlNTU3Lli0LCQkxxlRiYuKuXbv69euXl5dHEwkZJoSQ825ZWRkdYAzHp4yhsbGRlp8MCQkxvrg3g1uEE5ZWq6XFQpVKJVfL7Rs3bvTp0wfAG2+8wYlBBlcIJyx6Mt3b27u8vJxDs1lZWVZWVhKJZOvWrRyaZRiJQMKiCQ42NjbG7zLczT//+U8Atra2+fn5nBtndA4hhFVQUGBrawvg66+/5snFiy++CMDHx4eVXDMReBeWYcG+ePFi/rw0NDSMGjUKQFhYGFvImwL8Cqu5ufnxxx8HoFAo+N4f//nnn93c3AC8+eabvDpitAd+hUXrNfTp00eYGqQZGRkymUwikXCbFstH0wOzh0dhbdq0CYBMJhMyGWvdunUAHBwcaP6qkdy8eTM+Pr5nz55Hjhwx3lq3gi9hFRYW2tnZAfjyyy95cnE//vKXvwAYOHBgZWVlp43k5+fPmjVLJpPRbWQ2vXYUXoRVUVHRv39/AAsWLODD/oNpaGigKdeTJk3q6EJer9erVKqpU6dSPUml0qlTp2ZnZzc1Na1cubKuro6nmM0P7oXV3Nw8ceJEAOPGjevosWOuuHbtWu/evQG8/fbb7fyRxsbGpKSkgIAAKilHR8fY2NirV6/Sd2mvnvDwcHZEp51w/xB6yZIlCQkJHh4eeXl5jzzyCLfG28+hQ4fCw8N1Ol1ycrKvr++dO3fq6+ubmpr0en11dTUAjUaj1Wp1Ol1ZWdnp06fz8vI0Gg0AGxsbX19f2lWqpaWltrYWwJ07d6qqqiorK6dNm7Z9+3bWzfXhcKvTzZs3A5DJZMYnOhvP2rVrATg4OCiVSuP/R73//vsuLi4A5syZw9KBHgqXI5ZarVYoFPX19Rs3bpw/fz5XZo1h7ty5SUlJrq6ucrnc0dGRtotydnYuKysrKiq6cuUKAIlE4ufnFxISMnLkSAsLC5pg7eDgIJPJLC0tHR0d6UtPT8+zZ8+GhoZqNJrly5fTeieM+8KhSN955x0A8+bN49CmkWg0GrlcLpPJaLs5rVabnJw8ZswY+rtbW1tHR0efO3eu/QYPHDhgbW2NVrlGjHvCpbB8fX0BXL58mUObxkN3tqKiohISEry9vamk3Nzc4uPjO/dgccuWLVKpVCKRCL+T0oXgUljh4eHgpxikMdDjOoa63IGBgd98842Rt6tffPEFAAsLC1P7ZU0HLoW1atUqAK+99hqHNo2HpmzMnDlTqVSmpqZyte5evXo1ACsrK9bT9Z5wKSyajzpq1CgObRpJdXW1hYWFTCbj43nf0qVLAdjZ2WVmZnJuvKvDpbDq6uosLS1lMpnp1BJKT08HMHbsWD6M6/V6unHq7Ox86tQpPlx0XbjsTGFvby+Xy5ubm0+ePMmhWWOgnSkUCgUfxiUSSWJi4owZM6qqqp588km6eWE8JSUlmzZtqqio4LtJDK9wnFeoVCoLCwuzsrLoMSzR4VVYACwsLDZv3kxzJMPCwjIyMmhyR4doaWlRq9WZmZn5+fnHjh27du0aAIVC4ebmtm3bNktLEXI/OYDbAXDLli0AnnrqKW7Ndg6dTtejRw8A169f59VRTU0Nfewtl8vv3LnTnh8pLy/fvXv3smXLlEqljY1N62/Ezc3tiSeecHBwAPDSSy910V1+joV19epVAC4uLqZQZv3UqVMA+vfvL4CvW7du+fv7Axg7duz9DkGUlJQkJSXFxMQEBARIJJLWYvL19Y2Ojk5MTDxz5gxVUk5Ojr29PTjKwRQe7k830BPuHdrO5okNGzZAwOrc169f9/HxARAaGkr3yerq6jIyMhISEiIjI2lBQwP29vZKpTI2NjY5OZnWk74blUrVdXf5uRcWreTOX0JO+4mKigKwYcMGwTyeP3+eHtcJDAwMCgpqszzy9vZ+/vnn169fn5eXR0uIP5QdO3ZYWFjQuwS+g+cW7oX16aefgqMKWEZCDxsKvBGgVqs9PDzotGhhYREQEBATE5OUlFRSUtI5g//6178ASKXSrrXLz72wTpw4AWDw4MGcW+4QZWVlABwdHYXPBtNoNAcPHjx06BBXJ07fffddADY2NocO/cKJQQHgXlharZb2nvj11185N95+tm/fDiAsLEzEGDhk6dJlSmWSgwPJyRE7lPbBfetemUxGn+rk5uZybrz98L2DJTBr1340ZMif6+oweTJOnRI7mnbAS09oemJT3H7MZiYsiQSJiZgxA9XVCA/HTz+JHdDD4EVY48aNg6jCamhoKCgokEqlhjN9ZoCFBTZvRng4fv0VTz6JmzfFDuiB8FLRr7KyslevXtbW1lVVVVZWVpzbfygZGRmPPfbY8OHDT3WJaaMj1NcjLAzZ2Rg6FEePomfPzpvSaDQnTpzIysrKyckZOHAgbdjOGTyt3ej9dm5uLk/2H8yaNWsgUlajAFRUkIAAApAxY0hHTwOVlpampqbGxcUplcrW/+YHDRrEbZB8PeBUKBTFxcXZ2dmiTEZmtsBqg6sr0tMRHIzjx7FrF6KjH/Thlhao1cjKQk4O1OpxxcW/31FZWloGBQUplcpx48Zxksj0B7jVqYFvvvkGwIwZM3iy/wD0ej3d/u70nmSX4MIF8r/Osm2pqSEqFYmPJ1OnEmdnAvz2JyjoTUdHx9DQ0Pj4+NTUVGNKEDwUvoR1/vx5AK6urps2bWrn4wtOqKqqiouLs7a2trOz47YmpWmiUhFnZ0IbvoSHk127SGAgkUp/FxNABg0ic+aQL78k585VCnY4gC9h6fX65ORkOij6+vomJibynZx+69atFStW0HMy9CBK7969d+zYwatT0VGpyNy55KWXCCEkPJzs20cAYmlJgoJIbCxJTiZi/ePisYyRVqtNSkoaMmQIlZe7u/uaNWv4OLVcXl4eHx9vyMNRKpVJSUmGdhWRkZH3Oz5gBqhU5MMPyeuvk+PHSXg4qa0l2dnEFOpL8F4qUqfTpaam0nNwAHr16hUfH8/V7H716tXY2Fha4BRAaGhodnY2fUuv1ycmJtLjch4eHqmpqZx4NDWosKqrSUQEmTRJ7GhaIVw5bpVKNXbsWKoAWsvFmF5wJSUlMTExtH4VLTZ0z3rMly9fpsXlAURHR9PemeZEaipZtYoQQr7+mnh6ih1NK4Tu/pWRkWGoPmVvbx8bG9vRc8OnT5+Ojo6m9V6kUmlkZOQ9DxUalnQ6nS4hIYGemPPx8Tl8+LDxv4Xp8NlnxMaGfPCB2HHchdDComRlZU2dOpUez7WysoqOjr548eJDf6qgoCAyMrL1T9Fm43fT2Ng4fPjwuLg4Q8bzmTNngoKCAEgkkpiYGNNJUDOSkBACkO+/FzuOuxBHWBS1Wm0Ye2QyWXR0dHFx8T0/efc498svDzqZtG/fPmp22LBharWaXmxubl6zZg3dbvb39+ejlYHAVFURKytiaUlM8OZETGFRLl26FBMTQ0/x0tVS67bhKpWKPtI2rMza2fY3NzeX9l+VyWRxcXFarZZeV6vVw4YNA2BpaRkXF9elK/Rt3kwA8sQTYsdxL8QXFuXSpUsvvfQSHU4kEklERMSHH344YsQIw73ke++9V1VV1SGb9fX1cXFxUqkUwOjRow3DYUNDQ1xcHB3S5HJ5YWEhD7+QEMycSQCSkCB2HPfCVIRFKSsri4uLo+WWaTcAWm+ourq60zYzMjL8/PzorumaNWsMW89ZWVkDBw6kQ1p8fHyX62eh1f72uMbEykb9hmkJi1JeXk5nsZiYGE7K41ZXV8fExBi2Tw03ChqNJjY2lt4NjB079sKFC8b7Eoz/+z8CkGHDxI7jPpiisAghdPOJ27L9aWlptNiuk5NTYmKiIcM4LS2NlrK1t7cXMlfMSBYsIABpd1VooTFRYQUGBgLgpLtEayorK2myIYDw8HDDFlpVVRUd0qZMmSJuDkg70euJlxcBSKv7HNPCRIXl4eEBgN4AFhYWfvLJJ0ePHuXK+JYtW3r27EkPX7QumxYWFgYxWml0gry8/EcffeLpp/9tsoUdeDnzbjx37twBQL/+w4cPL126dNeuXVwZf+GFF86dOxcREVFTU0NPblHog8U2ufCmSUrK7sLCQ97eJ/5YAsKEMMUSOTU1NVqt1tHRkT6HuX37Nrj+vt3d3VNSUtRqNS0kSeHDEU+kpKQAeOaZZ8QO5L6Y4ojV5gvm7/turSqDo169enHuiFuuXbt2+vRpJyenCRMmiB3LfekywhLg+66oqEBXGLF2794NYMqUKaJkQLWTLiAswb7vyspK/G9hZ8qY/jwI01xjtRmihFn6GBZ2JjsMlJeX5+TkeHh40EaykydPFjuiB2GKwmozRAkjLNNcYF2+fDkzMzMrKyszM5M+63zmmWdaWlpCQ0NpxyiTxRSF1UZJdOuBb2GZygKrrq46L2/9sWM5OTk5OTm0Ax7FwcFhzJgxN27cgMnPgzB9YWk0moaGBltbW8PBdgGcCs2NG8jPR1YWMjNx8qSTtfX79fVanQ5Anz59goKCgoODlUrl6NGjraysVq5cef78efqE3pQxdWEJNkMJLayiIhw6hKwsZGejtPT36zKZxN//47Awj+HDFQrF3Z1E7e3ta2trY2JiBgwYMHLkSIGi7ThdQ1gCfN9CCyshAd9++9vfnZwwejSUSgQHQ6GAnd0rf/xsS0vLhQsX6Err2LFjI0eOLCgoCA8PP3bsGK2RYYKYrrDoKGW2wnrqKRACpRIKBYYMwV2PZioqKrKzs7Ozs7OysvLy8hobGw1vTZw40cPDY//+/ZMmTcrMzOzXr59AMXcEUxRW63W0wMLicc4lBHFxqK6GXg9vb7zzDp59tu0HiouRnY2srIaSkt4ZGYZ3JBJJQECAQqGgBTwGDx7c0NAQHh6ekZFB22G4u7vzFXZnMUVhibLG4v2ucMsW9OqFjz4CgOXLkZaGKVNQX4+Cgt9W7ocPo6KCftYWGNOvn6WXF125T5w4sc3/AVtb2z179kycOLGwsDA8PPzIkSPOzs58Rd4pTE5YTU1NGo3GysqKnjUQbBeA96Hx9Gn8L9EISiVOnUJ6OjZsQEvL75/x8oJCQf/kjBghkckeYK9Hjx7p6enjx49Xq9XTp09PS0tr0zpFXExOWG2GqMjISD8/v6FDhwrjl0dhyeU4cQLjxwNAbi6UShQWghAEBCA4GEolgoIQGGj4eHuOw/Tu3VulUgUHBx85cmTmzJk7d+40oY5OYh8Ia4tarQYgl8sF9tu3b18AV69e5cuBTkdef50sXEjmzyfx8YQQUllJuCgEf+bMGfrvISoqyhRaGFFMTliHDh0CEBQUxLejNsnQtCMSVyX/Beb48eOOjo4AFi1aJHYsv2FywiotLZ0zZw5NhOej365er09NTR0zZkx0dLThYkNDAwBra2vO3QnGwYMH6Rpr9erVYsdCiAkKixCybt06esRg0KBBhrJExtPS0vLDDz/I5XK6BvD09DQMWtevX6dXuPIlCrt376ZrrHXr1okdi0kKixBSVFT06KOPApBKpbGxsUZmFz60BNy2bdtEWdhxTlJSkkQikUgk3333nbiRmKiwCCFarTY+Pp4mwgcGBubn53fCSFNTU1JS0oABA6ikfHx8EhISGhoaDB8oLCykFWy8vLz27t3LXfiisX79egAymUzcX8d0hUUx1PagNTwMtT0eSm1tbUJCguEhbmBgYFJSUusyu0eOHKH5XgDs7OxeffXVLrpyv5vly5cDsLW15TBnrqOYurDI/Wt73I+ampo1a9YYdqSGDx+elJTUujRDRkZGSEgIfdfBwaH9FWy6Cnq9fv78+QCcnJw6N9IbTxcQFuV+tT3asGrVKkOV2+Dg4P379xveoveDo0ePpu+6urrGx8ffvn1bqN9AUFpaWmbOnAmgf//+7R/mOaTLCIv8sbaHQqG4ZxHAxYsXA1Aqla2r2ep0uuTk5ICAAPqztIJNR4sidTmampq8vLyUSqUoxU66krAohtoednZ2CQkJ+j8mmZeWlh4/ftzwki7eBw0aRCXVt2/fhISE+vp6waMWgdraWhsbG6lUWlZWJrz3ricscldtj3uWjWxsbExMTPT29qYf8/X1TUhI4KQoUleBNnAYP368KN67pLAoycnJdIXu7Ozcusk7vR/s06cPldTQoUPb3A92E2bPng3g448/FsV7FxYWIaSsrCwiIoIKaMaMGRcuXIiPjzdknI4YMSI5OVlvsgVZ+KS5uZnmh4lVTa5rC4vy1Vdf0Uew9EEygMcff/zAgQNixyUmBw8eBBAQECBWACZzfMcI5s2bFxoa+vLLL8vl8pycnFWrVhm2qbotoqfh89K6VywIIRKTLRglLL6+vleuXMnNzRWrK7ZZCYtBUavVI0aMcHd3v3HjBn1iITymWG2GYSSGeVAsVYEJyywRfYEFNhWaH6Wlpd7e3vb29rdu3RIxb4eNWObG7t27CSHh4eHiZoMxYZkbpjAPgk2FZkZ1dbWbm5tOpysrKxO3iBwbscyKtLQ0rVY7fvx40UsTMmGZFSYyD4JNheZEc3Ozm5tbVVXVxYsXDfkjYsFGLPPhyJEjVVVVcrlcdFWBCcucMJ15EExY5sS+ffsAGA6oiQsTlpnw66+/Ojg4ODg40FbqosOEZSa4ubm5ubnV1dXNnTtXr9eLHQ4Tlhnx6aefuri4bN26ddGiRWLHwoRlRgwbNmzfvn329vYbN25csWKFuMEwYZkV48aN27p1q0wm++CDD9auXStiJGyD1AzZsmULLSv35Zdfzps3T5QY2IhlhsyaNeuzzz4jhLz88su09JfwMGGZJwsXLly5cqVOp4uKikpPTxc+ADYVmjNLly5dt26dnZ2dSqVSKBRCumbCMmcIIfPmzfv2229dXV2PHTtmqLcjAExYZo5Op3vuued27Njh6emZmZnZv39/YfwyYZk/Wq126tSpKpXKz88vMzPTw8NDAKdMWN2CmpqakJCQvLw8uVx+9OhRAfpJs7vCboGTk1NaWpq/v39RUdGTTz6p0Wj49siE1V3o1avXgQMHfHx8cnNzp0+f3tTUxKs7JqxuhJeXl0qlcnd3V6lUs2bN0ul0/PliwupeDBgwYN++fU5OTjt37qTl4HmCCavbERQURA9BWFlZ8TdoMWF1R/R6vUajSU5Oph1l+IAJqztC0y6mTZvGnwsmrO7Inj17wHM+D9sg7XacPXt26NChrq6u5eXlbCpkcEZqaiqAiIgI/lQFJqxuiDB5rWwq7F6Ul5d7enpaW1vfunXLUBafD9iI1b1ISUnR6/VhYWG8qgpMWN2N06cH9O07UYA0fDYVdiPq6tC7N7Ra3Lihc3fnceUONmJ1K9LT0diIcePAt6rAhNWtSEkBAGHKHLGpsLug08HDAxUVOH8egwfz7o6NWN2FjAxUVGDIECFUBSas7oOQ8yCYsLoPqamAgMJia6xuQVERhg2Dmxtu3oQwHcHYiNUtyMwEgKefFkhVYCNW9+HKFej18PMTyB0bscyZH3+EiwvKygBgwQL4+eHHH/Hee7+9O2ECj66ZsMycadPwzjsi+DWHLvaMBzB4MG7fxokTv19JTcX16wB++y9PMGGZP2+/jehoGNbSERF46y2ATYUMI3FyQkQEzpy597tpafjoI8TGcuyU3RUyAGDRImzYwKVBNmIx8OmniI7m2CZbY3V3vvgCeXmQSDBqFDhM22FTIYMX2FTI4AUmLAYvMGExeIEJi8ELTFgMXmDCYvDC/wM/p67/ItP3aAAAAABJRU5ErkJggg==\" alt=\"Mol\"/></td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "           Source             ID  \\\n",
       "0  ChEMBL_Phase-1    CHEMBL59990   \n",
       "1  ChEMBL_Phase-1   CHEMBL496748   \n",
       "2  ChEMBL_Phase-1  CHEMBL1206245   \n",
       "3  ChEMBL_Phase-1   CHEMBL146927   \n",
       "4  ChEMBL_Phase-1  CHEMBL1187120   \n",
       "\n",
       "                                              SMILES    LogP    MolWt  \\\n",
       "0             O=P1(N(CCCl)CCCl)NC(SCCS(=O)(=O)O)CCO1  1.8311  401.274   \n",
       "1  O=C(O)CCC(NC(=O)NC(CCCCNCc1ccc(I)cc1)C(=O)O)C(...  1.6215  535.335   \n",
       "2  COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(O[PH](=O...  2.9487  474.424   \n",
       "3                         N[C@H]1CC(C(=O)O)CC1=C(F)F  0.9589  177.150   \n",
       "4             CN(CCC=C1c2ccccc2CCc2ccccc21)C(=O)CCCN  3.8043  348.490   \n",
       "\n",
       "   LipinskyHBA  LipinskyHBD                                              ROMol  \n",
       "0            7            2  <img data-content=\"rdkit/molecule\" src=\"data:i...  \n",
       "1           10            6  <img data-content=\"rdkit/molecule\" src=\"data:i...  \n",
       "2           10            1  <img data-content=\"rdkit/molecule\" src=\"data:i...  \n",
       "3            3            3  <img data-content=\"rdkit/molecule\" src=\"data:i...  \n",
       "4            3            2  <img data-content=\"rdkit/molecule\" src=\"data:i...  "
      ]
     },
     "execution_count": 4,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "df.head()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": []
  }
 ],
 "metadata": {
  "kernelspec": {
   "display_name": "Python 3",
   "language": "python",
   "name": "python3"
  },
  "language_info": {
   "codemirror_mode": {
    "name": "ipython",
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