pubchem_cid_extraction.ipynb

{
 "cells": [
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "**Author:** Benoît BAILLIF\n",
    "\n",
    "**Purpose:** Find all available Pubchem CID for used compounds\n",
    "\n",
    "**Input:**\n",
    "- data/raw/\n",
    " - LincsID2FacilityID_LINCS_StandardizedCmpds_LSMIDs.txt : LINCS id to pert id mapping\n",
    " - CompoundTable_LINCS_StandardizedCmpds_LSMIDs.txt : LINCS id info, containing pubchem CID\n",
    "- data/processed/\n",
    " - cmp_info_cmap : to find used compounds and most corresponding Pubchem CID\n",
    "\n",
    " \n",
    "**Output:** \n",
    "- data/processed/\n",
    " - pert_id_to_pubchem_cid.csv : mapping used pert id to corresponding Pubchem CID"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 1,
   "metadata": {},
   "outputs": [],
   "source": [
    "import time\n",
    "import numpy     as np\n",
    "import pandas    as pd\n",
    "import pubchempy as pcp\n",
    "from tqdm import tqdm_notebook as tqdm"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "metadata": {},
   "outputs": [],
   "source": [
    "%%capture\n",
    "tqdm().pandas()"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "# Input"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "metadata": {},
   "outputs": [],
   "source": [
    "raw_data_directory = 'data/raw/'\n",
    "processed_data_directory = 'data/processed/'"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "metadata": {},
   "outputs": [],
   "source": [
    "cmp_info_cmap_path = processed_data_directory + 'cmp_info_cmap.csv'\n",
    "lincs_brd_link_path = raw_data_directory + 'LincsID2FacilityID_LINCS_StandardizedCmpds_LSMIDs.txt'\n",
    "cmp_info_lincs_path = raw_data_directory + 'CompoundTable_LINCS_StandardizedCmpds_LSMIDs.txt'"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "# Output"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "metadata": {},
   "outputs": [],
   "source": [
    "pert_id_to_pubchem_cid_path = processed_data_directory + 'pert_id_to_pubchem_cid.csv'"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "# Main"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 6,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "(21220, 7)\n"
     ]
    },
    {
     "data": {
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       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>pert_id</th>\n",
       "      <th>pert_iname</th>\n",
       "      <th>is_touchstone</th>\n",
       "      <th>inchi_key</th>\n",
       "      <th>canonical_smiles</th>\n",
       "      <th>pubchem_cid</th>\n",
       "      <th>used_compound</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>BRD-A00100033</td>\n",
       "      <td>nifurtimox</td>\n",
       "      <td>1.0</td>\n",
       "      <td>ARFHIAQFJWUCFH-UHFFFAOYSA-N</td>\n",
       "      <td>CC1CS(=O)(=O)CCN1N=Cc1ccc([N+](=O)[O-])o1</td>\n",
       "      <td>6842999.0</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>BRD-A00150179</td>\n",
       "      <td>5-hydroxytryptophan</td>\n",
       "      <td>0.0</td>\n",
       "      <td>QSHLMQDRPXXYEE-UHFFFAOYSA-N</td>\n",
       "      <td>NC(Cc1c[nH]c2cccc(O)c12)C(=O)O</td>\n",
       "      <td>589768.0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>BRD-A00267231</td>\n",
       "      <td>hemado</td>\n",
       "      <td>1.0</td>\n",
       "      <td>KOCIMZNSNPOGOP-UHFFFAOYSA-N</td>\n",
       "      <td>CCCCC#Cc1nc(NC)c2ncn(C3OC(CO)C(O)C3O)c2n1</td>\n",
       "      <td>4043357.0</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>BRD-A00420644</td>\n",
       "      <td>SA-3676</td>\n",
       "      <td>0.0</td>\n",
       "      <td>ASCBUEVCEVGOFP-UHFFFAOYSA-N</td>\n",
       "      <td>CCN1c2ccccc2NC2N=C(OC)C(c3ccccc3)C21</td>\n",
       "      <td>2853908.0</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>BRD-A00474148</td>\n",
       "      <td>BRD-A00474148</td>\n",
       "      <td>0.0</td>\n",
       "      <td>RCGAUPRLRFZAMS-UHFFFAOYSA-N</td>\n",
       "      <td>O=C1Cc2cc([S+](=O)([O-])N3CCN(c4ccc(O)cc4)CC3)...</td>\n",
       "      <td>44825297.0</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "         pert_id           pert_iname  is_touchstone  \\\n",
       "0  BRD-A00100033           nifurtimox            1.0   \n",
       "1  BRD-A00150179  5-hydroxytryptophan            0.0   \n",
       "2  BRD-A00267231               hemado            1.0   \n",
       "3  BRD-A00420644              SA-3676            0.0   \n",
       "4  BRD-A00474148        BRD-A00474148            0.0   \n",
       "\n",
       "                     inchi_key  \\\n",
       "0  ARFHIAQFJWUCFH-UHFFFAOYSA-N   \n",
       "1  QSHLMQDRPXXYEE-UHFFFAOYSA-N   \n",
       "2  KOCIMZNSNPOGOP-UHFFFAOYSA-N   \n",
       "3  ASCBUEVCEVGOFP-UHFFFAOYSA-N   \n",
       "4  RCGAUPRLRFZAMS-UHFFFAOYSA-N   \n",
       "\n",
       "                                    canonical_smiles  pubchem_cid  \\\n",
       "0          CC1CS(=O)(=O)CCN1N=Cc1ccc([N+](=O)[O-])o1    6842999.0   \n",
       "1                     NC(Cc1c[nH]c2cccc(O)c12)C(=O)O     589768.0   \n",
       "2          CCCCC#Cc1nc(NC)c2ncn(C3OC(CO)C(O)C3O)c2n1    4043357.0   \n",
       "3               CCN1c2ccccc2NC2N=C(OC)C(c3ccccc3)C21    2853908.0   \n",
       "4  O=C1Cc2cc([S+](=O)([O-])N3CCN(c4ccc(O)cc4)CC3)...   44825297.0   \n",
       "\n",
       "   used_compound  \n",
       "0              1  \n",
       "1              0  \n",
       "2              1  \n",
       "3              1  \n",
       "4              1  "
      ]
     },
     "execution_count": 6,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "cmp_info_cmap = pd.read_csv(cmp_info_cmap_path)\n",
    "print(cmp_info_cmap.shape)\n",
    "cmp_info_cmap.head()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 7,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Number of used compounds: 9035\n"
     ]
    }
   ],
   "source": [
    "used_cmp_info_cmap = cmp_info_cmap[cmp_info_cmap['used_compound'] == 1]\n",
    "n_used_compounds = used_cmp_info_cmap.shape[0]\n",
    "print('Number of used compounds: ' + str(n_used_compounds))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 8,
   "metadata": {},
   "outputs": [
    {
     "data": {
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       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>SM_LINCS_ID</th>\n",
       "      <th>SM_Center_Canonical_ID</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>LSM-1001</td>\n",
       "      <td>10001</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>LSM-1001</td>\n",
       "      <td>BRD-K07691486</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>LSM-1001</td>\n",
       "      <td>PCCSE_Roscovitine</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>LSM-1002</td>\n",
       "      <td>10002</td>\n",
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       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>LSM-1002</td>\n",
       "      <td>BRD-K68191783</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
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      ],
      "text/plain": [
       "  SM_LINCS_ID SM_Center_Canonical_ID\n",
       "0    LSM-1001                  10001\n",
       "1    LSM-1001          BRD-K07691486\n",
       "2    LSM-1001      PCCSE_Roscovitine\n",
       "3    LSM-1002                  10002\n",
       "4    LSM-1002          BRD-K68191783"
      ]
     },
     "execution_count": 8,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "lincs_brd_link = pd.read_csv(lincs_brd_link_path, sep='\\t')\n",
    "lincs_brd_link.head()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 9,
   "metadata": {},
   "outputs": [
    {
     "data": {
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       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>SM_LINCS_ID</th>\n",
       "      <th>SM_PubChem_CID</th>\n",
       "      <th>SM_SMILES_Parent</th>\n",
       "      <th>SM_InChI_Parent</th>\n",
       "      <th>SM_InChI_Key_Parent</th>\n",
       "      <th>SM_Molecular_Mass</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>LSM-1001</td>\n",
       "      <td>160355.0</td>\n",
       "      <td>CC[C@H](CO)Nc1nc(NCc2ccccc2)c3ncn(C(C)C)c3n1</td>\n",
       "      <td>InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(2...</td>\n",
       "      <td>BTIHMVBBUGXLCJ-OAHLLOKOSA-N</td>\n",
       "      <td>354.22</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>LSM-1002</td>\n",
       "      <td>24880028.0</td>\n",
       "      <td>Cc1cn(cn1)c2cc(cc(c2)C(F)(F)F)C(=O)Nc3ccc(C)c(...</td>\n",
       "      <td>InChI=1S/C23H18F3N5O3/c1-13-3-4-17(10-19(13)30...</td>\n",
       "      <td>IYUFHBXMTTXZBE-UHFFFAOYSA-N</td>\n",
       "      <td>469.14</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>LSM-1003</td>\n",
       "      <td>24875320.0</td>\n",
       "      <td>Cc1ccc(cc1Nc2cncc(c2)C(=O)N)C(=O)Nc3cccc(c3)C(...</td>\n",
       "      <td>InChI=1S/C21H17F3N4O2/c1-12-5-6-13(8-18(12)27-...</td>\n",
       "      <td>SAAYRHKJHDIDPH-UHFFFAOYSA-N</td>\n",
       "      <td>414.13</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>LSM-1004</td>\n",
       "      <td>11338033.0</td>\n",
       "      <td>Clc1cccc(Cl)c1C(=O)Nc2c[nH]nc2C(=O)NC3CCNCC3</td>\n",
       "      <td>InChI=1S/C16H17Cl2N5O2/c17-10-2-1-3-11(18)13(1...</td>\n",
       "      <td>OVPNQJVDAFNBDN-UHFFFAOYSA-N</td>\n",
       "      <td>381.08</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>LSM-1005</td>\n",
       "      <td>9911830.0</td>\n",
       "      <td>COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c...</td>\n",
       "      <td>InChI=1S/C22H19ClN4O5/c1-12-8-21(27-32-12)26-2...</td>\n",
       "      <td>SPMVMDHWKHCIDT-UHFFFAOYSA-N</td>\n",
       "      <td>454.10</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "  SM_LINCS_ID  SM_PubChem_CID  \\\n",
       "0    LSM-1001        160355.0   \n",
       "1    LSM-1002      24880028.0   \n",
       "2    LSM-1003      24875320.0   \n",
       "3    LSM-1004      11338033.0   \n",
       "4    LSM-1005       9911830.0   \n",
       "\n",
       "                                    SM_SMILES_Parent  \\\n",
       "0       CC[C@H](CO)Nc1nc(NCc2ccccc2)c3ncn(C(C)C)c3n1   \n",
       "1  Cc1cn(cn1)c2cc(cc(c2)C(F)(F)F)C(=O)Nc3ccc(C)c(...   \n",
       "2  Cc1ccc(cc1Nc2cncc(c2)C(=O)N)C(=O)Nc3cccc(c3)C(...   \n",
       "3       Clc1cccc(Cl)c1C(=O)Nc2c[nH]nc2C(=O)NC3CCNCC3   \n",
       "4  COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c...   \n",
       "\n",
       "                                     SM_InChI_Parent  \\\n",
       "0  InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(2...   \n",
       "1  InChI=1S/C23H18F3N5O3/c1-13-3-4-17(10-19(13)30...   \n",
       "2  InChI=1S/C21H17F3N4O2/c1-12-5-6-13(8-18(12)27-...   \n",
       "3  InChI=1S/C16H17Cl2N5O2/c17-10-2-1-3-11(18)13(1...   \n",
       "4  InChI=1S/C22H19ClN4O5/c1-12-8-21(27-32-12)26-2...   \n",
       "\n",
       "           SM_InChI_Key_Parent  SM_Molecular_Mass  \n",
       "0  BTIHMVBBUGXLCJ-OAHLLOKOSA-N             354.22  \n",
       "1  IYUFHBXMTTXZBE-UHFFFAOYSA-N             469.14  \n",
       "2  SAAYRHKJHDIDPH-UHFFFAOYSA-N             414.13  \n",
       "3  OVPNQJVDAFNBDN-UHFFFAOYSA-N             381.08  \n",
       "4  SPMVMDHWKHCIDT-UHFFFAOYSA-N             454.10  "
      ]
     },
     "execution_count": 9,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "cmp_info_lincs = pd.read_csv(cmp_info_lincs_path, sep='\\t')\n",
    "cmp_info_lincs.head()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 10,
   "metadata": {},
   "outputs": [
    {
     "data": {
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       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>pert_id</th>\n",
       "      <th>pert_iname</th>\n",
       "      <th>is_touchstone</th>\n",
       "      <th>inchi_key</th>\n",
       "      <th>canonical_smiles</th>\n",
       "      <th>pubchem_cid</th>\n",
       "      <th>used_compound</th>\n",
       "      <th>SM_LINCS_ID</th>\n",
       "      <th>SM_PubChem_CID</th>\n",
       "      <th>SM_SMILES_Parent</th>\n",
       "      <th>SM_InChI_Parent</th>\n",
       "      <th>SM_InChI_Key_Parent</th>\n",
       "      <th>SM_Molecular_Mass</th>\n",
       "      <th>SM_Center_Canonical_ID</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>BRD-A00100033</td>\n",
       "      <td>nifurtimox</td>\n",
       "      <td>1.0</td>\n",
       "      <td>ARFHIAQFJWUCFH-UHFFFAOYSA-N</td>\n",
       "      <td>CC1CS(=O)(=O)CCN1N=Cc1ccc([N+](=O)[O-])o1</td>\n",
       "      <td>6842999.0</td>\n",
       "      <td>1</td>\n",
       "      <td>LSM-1232</td>\n",
       "      <td>31772.0</td>\n",
       "      <td>CC1CS(=O)(=O)CCN1N=Cc2oc(cc2)[N+](=O)[O-]</td>\n",
       "      <td>InChI=1S/C10H13N3O5S/c1-8-7-19(16,17)5-4-12(8)...</td>\n",
       "      <td>ARFHIAQFJWUCFH-UHFFFAOYSA-N</td>\n",
       "      <td>287.06</td>\n",
       "      <td>BRD-A00100033</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>BRD-A00267231</td>\n",
       "      <td>hemado</td>\n",
       "      <td>1.0</td>\n",
       "      <td>KOCIMZNSNPOGOP-UHFFFAOYSA-N</td>\n",
       "      <td>CCCCC#Cc1nc(NC)c2ncn(C3OC(CO)C(O)C3O)c2n1</td>\n",
       "      <td>4043357.0</td>\n",
       "      <td>1</td>\n",
       "      <td>LSM-1233</td>\n",
       "      <td>4043357.0</td>\n",
       "      <td>CCCCC#Cc1nc(NC)c2ncn(C3OC(CO)C(O)C3O)c2n1</td>\n",
       "      <td>InChI=1S/C17H23N5O4/c1-3-4-5-6-7-11-20-15(18-2...</td>\n",
       "      <td>KOCIMZNSNPOGOP-UHFFFAOYSA-N</td>\n",
       "      <td>361.18</td>\n",
       "      <td>BRD-A00267231</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>BRD-A00420644</td>\n",
       "      <td>SA-3676</td>\n",
       "      <td>0.0</td>\n",
       "      <td>ASCBUEVCEVGOFP-UHFFFAOYSA-N</td>\n",
       "      <td>CCN1c2ccccc2NC2N=C(OC)C(c3ccccc3)C21</td>\n",
       "      <td>2853908.0</td>\n",
       "      <td>1</td>\n",
       "      <td>LSM-6366</td>\n",
       "      <td>2853908.0</td>\n",
       "      <td>CCN1C2C(Nc3ccccc13)N=C(OC)C2c4ccccc4</td>\n",
       "      <td>InChI=1S/C19H21N3O/c1-3-22-15-12-8-7-11-14(15)...</td>\n",
       "      <td>ASCBUEVCEVGOFP-UHFFFAOYSA-N</td>\n",
       "      <td>307.17</td>\n",
       "      <td>BRD-A00420644</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>BRD-A00474148</td>\n",
       "      <td>BRD-A00474148</td>\n",
       "      <td>0.0</td>\n",
       "      <td>RCGAUPRLRFZAMS-UHFFFAOYSA-N</td>\n",
       "      <td>O=C1Cc2cc([S+](=O)([O-])N3CCN(c4ccc(O)cc4)CC3)...</td>\n",
       "      <td>44825297.0</td>\n",
       "      <td>1</td>\n",
       "      <td>LSM-1234</td>\n",
       "      <td>44825297.0</td>\n",
       "      <td>Oc1ccc(cc1)N2CCN(CC2)S(=O)(=O)c3ccc4NC(=O)Cc4c3</td>\n",
       "      <td>InChI=1S/C18H19N3O4S/c22-15-3-1-14(2-4-15)20-7...</td>\n",
       "      <td>YCOCADXVPASJAM-UHFFFAOYSA-N</td>\n",
       "      <td>373.11</td>\n",
       "      <td>BRD-A00474148</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>BRD-A00520476</td>\n",
       "      <td>AF-DX-116</td>\n",
       "      <td>1.0</td>\n",
       "      <td>UBRKDAVQCKZSPO-UHFFFAOYSA-N</td>\n",
       "      <td>CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21</td>\n",
       "      <td>107867.0</td>\n",
       "      <td>1</td>\n",
       "      <td>LSM-22625</td>\n",
       "      <td>107867.0</td>\n",
       "      <td>CCN(CC)CC1CCCCN1CC(=O)N2c3ccccc3C(=O)Nc4cccnc24</td>\n",
       "      <td>InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-1...</td>\n",
       "      <td>UBRKDAVQCKZSPO-UHFFFAOYSA-N</td>\n",
       "      <td>421.25</td>\n",
       "      <td>BRD-A00520476</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "         pert_id     pert_iname  is_touchstone                    inchi_key  \\\n",
       "0  BRD-A00100033     nifurtimox            1.0  ARFHIAQFJWUCFH-UHFFFAOYSA-N   \n",
       "1  BRD-A00267231         hemado            1.0  KOCIMZNSNPOGOP-UHFFFAOYSA-N   \n",
       "2  BRD-A00420644        SA-3676            0.0  ASCBUEVCEVGOFP-UHFFFAOYSA-N   \n",
       "3  BRD-A00474148  BRD-A00474148            0.0  RCGAUPRLRFZAMS-UHFFFAOYSA-N   \n",
       "4  BRD-A00520476      AF-DX-116            1.0  UBRKDAVQCKZSPO-UHFFFAOYSA-N   \n",
       "\n",
       "                                    canonical_smiles  pubchem_cid  \\\n",
       "0          CC1CS(=O)(=O)CCN1N=Cc1ccc([N+](=O)[O-])o1    6842999.0   \n",
       "1          CCCCC#Cc1nc(NC)c2ncn(C3OC(CO)C(O)C3O)c2n1    4043357.0   \n",
       "2               CCN1c2ccccc2NC2N=C(OC)C(c3ccccc3)C21    2853908.0   \n",
       "3  O=C1Cc2cc([S+](=O)([O-])N3CCN(c4ccc(O)cc4)CC3)...   44825297.0   \n",
       "4    CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21     107867.0   \n",
       "\n",
       "   used_compound SM_LINCS_ID  SM_PubChem_CID  \\\n",
       "0              1    LSM-1232         31772.0   \n",
       "1              1    LSM-1233       4043357.0   \n",
       "2              1    LSM-6366       2853908.0   \n",
       "3              1    LSM-1234      44825297.0   \n",
       "4              1   LSM-22625        107867.0   \n",
       "\n",
       "                                  SM_SMILES_Parent  \\\n",
       "0        CC1CS(=O)(=O)CCN1N=Cc2oc(cc2)[N+](=O)[O-]   \n",
       "1        CCCCC#Cc1nc(NC)c2ncn(C3OC(CO)C(O)C3O)c2n1   \n",
       "2             CCN1C2C(Nc3ccccc13)N=C(OC)C2c4ccccc4   \n",
       "3  Oc1ccc(cc1)N2CCN(CC2)S(=O)(=O)c3ccc4NC(=O)Cc4c3   \n",
       "4  CCN(CC)CC1CCCCN1CC(=O)N2c3ccccc3C(=O)Nc4cccnc24   \n",
       "\n",
       "                                     SM_InChI_Parent  \\\n",
       "0  InChI=1S/C10H13N3O5S/c1-8-7-19(16,17)5-4-12(8)...   \n",
       "1  InChI=1S/C17H23N5O4/c1-3-4-5-6-7-11-20-15(18-2...   \n",
       "2  InChI=1S/C19H21N3O/c1-3-22-15-12-8-7-11-14(15)...   \n",
       "3  InChI=1S/C18H19N3O4S/c22-15-3-1-14(2-4-15)20-7...   \n",
       "4  InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-1...   \n",
       "\n",
       "           SM_InChI_Key_Parent  SM_Molecular_Mass SM_Center_Canonical_ID  \n",
       "0  ARFHIAQFJWUCFH-UHFFFAOYSA-N             287.06          BRD-A00100033  \n",
       "1  KOCIMZNSNPOGOP-UHFFFAOYSA-N             361.18          BRD-A00267231  \n",
       "2  ASCBUEVCEVGOFP-UHFFFAOYSA-N             307.17          BRD-A00420644  \n",
       "3  YCOCADXVPASJAM-UHFFFAOYSA-N             373.11          BRD-A00474148  \n",
       "4  UBRKDAVQCKZSPO-UHFFFAOYSA-N             421.25          BRD-A00520476  "
      ]
     },
     "execution_count": 10,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "used_cmp_info_LINCS = cmp_info_lincs.merge(lincs_brd_link, on='SM_LINCS_ID')\n",
    "used_cmp_info = used_cmp_info_cmap.merge(used_cmp_info_LINCS, left_on='pert_id', right_on='SM_Center_Canonical_ID')\n",
    "\n",
    "used_cmp_info.head()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 11,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Number of common compounds between LINCS and used compounds: 9000\n",
      "So there are 35 more compounds in total than LINCS\n"
     ]
    }
   ],
   "source": [
    "n_LINCS_and_used_compounds = used_cmp_info.shape[0]\n",
    "print('Number of common compounds between LINCS and used compounds: ' + str(n_LINCS_and_used_compounds))\n",
    "print('So there are ' + str(n_used_compounds - n_LINCS_and_used_compounds) + ' more compounds in total than LINCS')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 12,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
       "    .dataframe tbody tr th:only-of-type {\n",
       "        vertical-align: middle;\n",
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       "\n",
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       "        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>pert_id</th>\n",
       "      <th>pubchem_cid</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>BRD-A00100033</td>\n",
       "      <td>6842999.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>BRD-A00267231</td>\n",
       "      <td>4043357.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>BRD-A00420644</td>\n",
       "      <td>2853908.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>BRD-A00474148</td>\n",
       "      <td>44825297.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>5</th>\n",
       "      <td>BRD-A00520476</td>\n",
       "      <td>107867.0</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "         pert_id  pubchem_cid\n",
       "0  BRD-A00100033    6842999.0\n",
       "2  BRD-A00267231    4043357.0\n",
       "3  BRD-A00420644    2853908.0\n",
       "4  BRD-A00474148   44825297.0\n",
       "5  BRD-A00520476     107867.0"
      ]
     },
     "execution_count": 12,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "# Difference compared to paper version : I used the first table, \n",
    "# and not the one with LINCS data joined (that removed rows)\n",
    "L1000_cids = used_cmp_info_cmap[['pert_id', 'pubchem_cid']]\n",
    "\n",
    "L1000_cids = L1000_cids.dropna()\n",
    "\n",
    "# Difference compared to paper version : I removed only -666\n",
    "L1000_cids = L1000_cids[L1000_cids['pubchem_cid'] > 0]\n",
    "\n",
    "L1000_cids.head()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 13,
   "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>pert_id</th>\n",
       "      <th>pubchem_cid</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>BRD-A00100033</td>\n",
       "      <td>31772.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>BRD-A00267231</td>\n",
       "      <td>4043357.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>BRD-A00420644</td>\n",
       "      <td>2853908.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>BRD-A00474148</td>\n",
       "      <td>44825297.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>BRD-A00520476</td>\n",
       "      <td>107867.0</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "         pert_id  pubchem_cid\n",
       "0  BRD-A00100033      31772.0\n",
       "1  BRD-A00267231    4043357.0\n",
       "2  BRD-A00420644    2853908.0\n",
       "3  BRD-A00474148   44825297.0\n",
       "4  BRD-A00520476     107867.0"
      ]
     },
     "execution_count": 13,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "LINCS_cids = used_cmp_info[['pert_id', 'SM_PubChem_CID']]\n",
    "LINCS_cids = LINCS_cids.dropna()\n",
    "LINCS_cids = LINCS_cids.rename({'SM_PubChem_CID' : 'pubchem_cid'}, axis=1)\n",
    "LINCS_cids.head()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 14,
   "metadata": {},
   "outputs": [],
   "source": [
    "def fetch_cids(input_str, input_type='smiles') :\n",
    "    \"\"\"Fetch Pubchem CIDs for a given input string.\n",
    "    \n",
    "    Args:\n",
    "        input_str  (str) : input string to consider\n",
    "        input_type (str) : type of the input (e.g. smiles, inchikey...)\n",
    "        \n",
    "    Returns:\n",
    "        list : Pubchem CIDs\n",
    "        \n",
    "    \"\"\"\n",
    "    cids = None\n",
    "    max_retries = 5\n",
    "    current_try = 0\n",
    "    while cids == None and current_try < max_retries:\n",
    "        try :\n",
    "            cids = pcp.get_cids(input_str, input_type)\n",
    "            print(input_str)\n",
    "        except : \n",
    "            print('Retry on ' + input_str)\n",
    "            current_try = current_try + 1\n",
    "        \n",
    "    return cids"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 15,
   "metadata": {
    "scrolled": true
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "CC1CS(=O)(=O)CCN1N=Cc1ccc([N+](=O)[O-])o1\n",
      "CCCCC#Cc1nc(NC)c2ncn(C3OC(CO)C(O)C3O)c2n1\n",
      "CCN1c2ccccc2NC2N=C(OC)C(c3ccccc3)C21\n",
      "O=C1Cc2cc([S+](=O)([O-])N3CCN(c4ccc(O)cc4)CC3)ccc2N1\n",
      "CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21\n",
      "OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2\n",
      "COc1ccc(C(CC(=O)N2CCCC(C)C2)c2c(O)cc(OC)cc2OC)cc1\n",
      "C#C[C@]1(O)CCC2C3CCC4=C(CCC(=O)C4)C3CC[C@@]21C\n",
      "Cn1c(=O)c2c(ncn2CC(O)CO)n(C)c1=O\n",
      "C=CCc1ccccc1OCC(O)CNC(C)C\n",
      "CCC(c1ccc(O)cc1)C(CC)c1ccc(O)cc1\n",
      "O=c1ncccn1[C@@H]1O[C@H](CO)[C@H](O)C1O\n",
      "CCCN(C/C=C/I)C1CCc2ccc(O)cc2C1\n",
      "CC(O)[C@H](O)C1=Nc2c(nc(N)[nH]c2=O)NC1\n",
      "OCc1cc(C(O)CNCCCCCCOCCCCc2ccccc2)ccc1O\n",
      "C[C@@H]1CC2C3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO\n",
      "CC(=O)O[C@]1(C(C)=O)CCC2C3C=C(Cl)C4=CC(=O)CC[C@]4(C)C3CC[C@@]21C\n",
      "CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C\n",
      "CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3[C@@H](O)C[C@@]21C\n",
      "COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1\n",
      "CN(CCO)CC(O)Cn1cnc2c1c(=O)n(C)c(=O)n2C\n",
      "COc1ccc(C2C(C(=O)O)c3ccccc3C(=O)N2Cc2ccc(Cl)cc2)cc1\n",
      "CCC(=O)NC(c1ccco1)c1cc(Br)c2cccnc2c1O\n",
      "COc1ccc(C2=Nn3c(nnc3-c3ccccc3C(F)(F)F)SC2)cc1OC1CCOC1\n",
      "CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1\n",
      "C=C(C)C1Cc2c(ccc(C(=O)O)c2O)O1\n",
      "C[C@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO\n",
      "CSCCC(N)C(=O)NC(CC(C)C)C(=O)NC(Cc1ccccc1)C(=O)O\n",
      "CC1CC(C)(C)N2C(=O)C3(Nc4ccccc4S3)c3cccc1c32\n",
      "CC(O)c1cc2c(s1)c1cnn(Cc3ccccc3F)c(=O)c1n2C\n",
      "CC1=C2C[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)CNC1C2C\n",
      "C#C[C@]1(O)CCC2C3CCc4cc(O)ccc4C3CC[C@@]21C\n",
      "CC(Nc1nc(N2CCCC2)nc2ccccc12)c1ccccc1\n",
      "COc1cc(C2C3=CC4=C(OCO4)C3C(OC3OC4COC(C)OC4C(O)C3O)C3COC(=O)C23)cc(OC)c1O\n",
      "CCC1(c2cccc(O)c2)CCCCN(C)C1\n",
      "CC(=O)O[C@@H]1CC2C(C)(C)C(=O)CC[C@]2(C)C2CC[C@]3(C)C(=CC(=O)O[C@H]3c3ccoc3)[C@@]21C\n",
      "CNC(C)C(=O)NC(C(=O)NC(C)C(=O)NNc1ccccc1)C(C)C\n",
      "CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1\n",
      "COc1ccc(C(=O)C2CCCN(CCc3ccccc3)C2)cc1OC\n",
      "O=C1OC(c2ccccc2)C(c2ccccc2)N2C1C(C(=O)N1CCCCCCC1)C1(C(=O)Nc3ccccc31)C2c1ccccc1OCCO\n",
      "CC(Oc1c(Cl)cccc1Cl)C1=NCCN1\n",
      "Cc1onc(-c2ccccc2)c1C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O\n",
      "C=CCN1CCCC1CNC(=O)c1cc2nn[nH]c2cc1OC\n",
      "Cc1cccc(C)c1NC(=O)C1CCCCN1C\n",
      "CC(C)c1nc(CN(C)C(=O)NC(C(=O)NC(Cc2ccccc2)CC(O)C(Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1\n",
      "N#Cc1ccccc1OCC(O)CNCCNC(=O)Nc1ccccc1\n",
      "CC1=C(CC(=O)O)c2cc(F)ccc2C1=Cc1ccc(S(C)=O)cc1\n",
      "COc1cccc(S(=O)(=O)NC2CCN(C#N)C2)c1\n",
      "CC(C)c1ccc(C2C(C#N)=C(N)C(C#N)(C#N)C3=CCN(C)CC32)cc1\n",
      "COCCc1ccc(OCC(O)CNC(C)C)cc1\n",
      "CCCCCCC(C)(C)c1ccc(C2CC(O)CCC2CCCO)c(O)c1\n",
      "N#CC1=C(N)Nc2c(c(=O)oc3ccccc23)C1c1ccc(Br)cc1\n",
      "O=C1Nc2ccc([N+](=O)[O-])cc2C12NNc1ccccc1O2\n",
      "CCCCS(=N)(=O)CCC(N)C(=O)O\n",
      "CCCCCCCCNC(=O)C(Cc1ccc(OCc2ccncc2)cc1)NC(=O)C1CCC(CN)CC1\n",
      "COc1ccc2ccc(=O)oc2c1CC(O)C(C)(C)OC\n",
      "COC(=O)C1=COC(O)C2C(CO)=CCC12\n",
      "CNCC(O)c1ccc(O)cc1\n",
      "Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1\n",
      "CC(C)(C)OC(=O)NCC(=O)NNC(=O)C(C(=O)OCc1ccccc1)c1ccccc1\n",
      "CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1\n",
      "CCOC(OCC)P(=O)(O)CCCNCc1ccc(Cl)c(Cl)c1\n",
      "CCCC(=O)Nc1ncnc2c1ncn2C1OC2COP(=O)(O)OC2C1OC(=O)CCC\n",
      "C#C[C@]1(OC(C)=O)CCC2C3CCC4=C/C(=N/O)CCC4C3CC[C@@]21CC\n",
      "CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1\n",
      "CC(C)[N+]1(C)C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2\n",
      "COC(=O)C1=C(C)NC(C)=C([N+](=O)[O-])C1c1ccccc1C(F)(F)F\n",
      "CCC1CCCCN1C(=O)n1cc(C(O)(c2ccccc2)c2ccccc2)nn1\n",
      "CNC(C)C(=O)NC(C(=O)N1CCCC1C(=O)NC1CCCc2ccccc21)C(C)C\n",
      "COc1ccc(C2NC(=O)c3ccccc3N2)cc1COc1ccc(NC(C)=O)cc1\n",
      "CC(C)C1CCC(C)C(C(O)c2ccc(-c3ccccc3)cc2)C1=O\n",
      "Oc1ccc2c3c1OC1c4c(c5ccccc5n4Cc4ccccc4)CC4(O)C(C2)N(CC2CC2)CCC314\n",
      "COC1/C=C/C=C(\\C)C(=O)NC2=CC(=O)C(NCCN(C)C)=C(CC(C)CC(OC)C(O)C(C)/C=C(\\C)C1OC(N)=O)C2=O\n",
      "CC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1\n",
      "O=C1NC(=O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1C1CCC3O1\n",
      "CC[C@H]1CN2CCC1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12\n",
      "CC(C)Oc1cccc(C(=O)C2CCCN(Cc3cnn(C(C)C)c3)C2)c1\n",
      "CC(Sc1nc2cc(Cl)ccc2s1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1\n",
      "CCCC(=O)Nc1nc2c(ncn2C2O[C@H]3COP(=O)(O)O[C@@H]3[C@@H]2OC(=O)CCC)c(=O)[nH]1\n",
      "CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1C#Cc1ccccc1\n",
      "O=C1N(Cc2ccccc2)c2ccccc2C12NNc1ccccc1O2\n",
      "CCN(CC)CC(C(=O)c1ccc(F)cc1)c1ccccc1\n",
      "C[C@]12C[C@H](O)C3C(CCC4=CC(=O)CC[C@@]43C)C1CC[C@]2(O)C(=O)COC(=O)CCC(=O)O\n",
      "CC(C)[N+]1(C)C2CC[C@@H]1C[C@@H](OC(=O)C(CO)c1ccccc1)C2\n",
      "COC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1\n",
      "CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1\n",
      "CCOc1ccc(C(Nc2cccnc2)c2cc(Cl)c3cccnc3c2O)cc1\n",
      "CNCC(O)c1ccc(O)c(O)c1\n",
      "CC(C)NCC(O)c1cc(O)cc(O)c1\n",
      "O=C1CC(c2ccccc2)Oc2ccccc21\n",
      "COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=Cc2ccccc2)C1c1cccc([N+](=O)[O-])c1\n",
      "C=CC(N)CCC(=O)O\n",
      "CSc1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2\n",
      "CCC(C)C(=O)c1c(O)c(C)c2oc3c(C)c(O)c(C(=O)C(C)CC)c(O)c3c2c1O\n",
      "CC(=O)SCC(Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1\n",
      "NC(Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O\n",
      "CC(C)c1c(CN(C)C(C)Cc2ccccc2)n(C)n(-c2ccccc2)c1=O\n",
      "CCOC(=O)CCCC(=O)Nc1ncnc2c1C(c1ccccc1)c1c(ccc3ccccc13)O2\n",
      "CC1CC(=O)NN=C1c1ccc(F)c(F)c1\n",
      "CC(=O)N(CC(O)CN(C(C)=O)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I\n",
      "CNC(C)C(=O)NC(C(=O)N1CCCC1C(=O)Nc1cccc2ncccc12)C(C)C\n",
      "CO[C@H](C)C(O)(C(=O)OCC1=CCN2CC[C@H](O)[C@@H]12)C(C)C\n",
      "COC1=CC23CCCN2CCc2cc4c(cc2C3C1O)OCO4\n",
      "COc1cc2nc(N(C)CCCNC(=O)C3CCCO3)nc(N)c2cc1OC\n",
      "CCC(C)(CN(C)C)OC(=O)c1ccccc1\n",
      "O=C1CC2OCC=C3CN4CC[C@]56c7ccccc7N1C5[C@H]2[C@H]3CC46\n",
      "CC(=O)O[C@@H]1CC(=O)OC(C)(C)C2CC(=O)[C@]3(C)C(CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)[C@H]5O[C@]543)[C@]21C\n",
      "Cc1cc(C)c(OCC(O)CNC(C)(C)C)c(C)c1\n",
      "O=C(/C=C/c1ccccn1)NC(Cc1c[nH]c2ccccc12)C(=O)O\n",
      "C#C[C@]1(OC(C)=O)CCC2C3CCC4=CC(=O)CC[C@@H]4C3CC[C@@]21C\n",
      "CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)C(C)Cc1ccc(OC)cc1\n",
      "O=C(NCC1CCCCN1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F\n",
      "CN1CCc2cc3c(cc2[C@H]1C1OC(=O)c2c1ccc1c2OCO1)OCO3\n",
      "COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC\n",
      "CN1C2CC[C@H]1C[C@@H](OC(=O)C(O)c1ccccc1)C2\n",
      "CCC(OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C(=O)NC1C2CC3CC(C2)CC1C3\n",
      "O=P1(N(CCCl)CCCl)NCCCO1\n",
      "C=C[C@]1(C)C=C2CC[C@H]3[C@](C)(C(=O)O)CCC[C@]3(C)[C@H]2CC1O\n",
      "Oc1cc2c(c(Cl)c1O)CCNCC2c1ccccc1\n",
      "CCNCC(O)c1cccc(O)c1\n",
      "CSC1=C(C#N)C(=O)NC(c2ccc(Cl)cc2)S1\n",
      "CC(C)NCC(O)COc1cccc2ccccc12\n",
      "C[C@@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO\n",
      "CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)OC1OC(=O)c2ccccc21\n",
      "S=C(NCC1CCCO1)Nc1cnn(Cc2ccc(Cl)cc2)c1\n",
      "NC1(c2ccccc2Cl)CCCCC1=O\n",
      "O=C1OC(C(O)CO)C(O)C1=O\n",
      "CC(=O)C1C(=O)[C@@H]2[C@H]3c4c[nH]c5cccc(c45)C[C@H]3C(C)(C)N2C1=O\n",
      "CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1\n",
      "CC1(C)S[C@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)OC1OC(=O)c2ccccc21\n",
      "CC(Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1\n",
      "CCN1CCC(CNC(=O)c2cc(S(N)(=O)=O)ccc2OC)C1\n",
      "CCn1ccnc1CC1COc2ccccc2O1\n",
      "COc1c2c(cc3c1OCO3)C13C=C[C@H](OC)CC1N(C2)CC3O\n",
      "COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12\n",
      "O=C1/C(=C\\c2ccccc2)C(NC2CCCCC2)c2ccccc21\n",
      "Cc1noc(C)c1-c1ccc2ncnc(NC(C)c3ccco3)c2c1\n",
      "O=C(c1ccccc1)N(C(=O)c1ccccc1)c1ncnc2c1C(c1ccccc1)c1c(ccc3ccccc13)O2\n",
      "NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1\n",
      "Oc1ccc2c3c1OC1c4[nH]c5c(c4CC4(O)C(C2)N(CC2CC2)CCC314)CC1(O)C2Cc3ccc(O)c4c3C1(CCN2CC1CC1)C5O4\n",
      "CCC(C)C(=O)OC1CC(O)C=C2C=CC(C)C(CCC(O)CC(O)CC(=O)O)C21\n",
      "Nc1ncn(C2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1\n",
      "CC(C)C1COc2cc3oc(=O)ccc3cc2O1\n",
      "CCOC(=O)CC(=O)Nc1ncnc2c1C(c1ccccc1)c1c(ccc3ccccc13)O2\n",
      "COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2c(c1OC)-c1ccc(SC)c(=O)cc1C(NC(C)=O)CC2\n",
      "CN1CCC2(c3cccc(O)c3)Cc3nc4ccccc4cc3CC2C1\n",
      "COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C(C3=O)C2CCC(=O)[C@@]2(C)C[C@H]1OC(C)=O\n",
      "COC1C(O)CC(OC2CC(Oc3cc4cc5c(c(O)c4c(O)c3C)C(=O)[C@@H](OC3CC(OC4CC(OC6CC(C)(O)C(C)C(C)O6)C(O)C(C)O4)C(O)C(C)O3)[C@@H]([C@H](OC)C(=O)[C@@H](O)[C@@H](C)O)C5)OC(C)C2OC(C)=O)OC1C\n",
      "CN1N=C(N)c2cn([C@@H]3O[C@H](CO)C(O)[C@@H]3O)c3ncnc1c23\n",
      "C=CCOC(Cn1ccnc1)c1ccc(Cl)cc1Cl\n",
      "CN(CCc1ccc(Cl)c(Cl)c1)CC(O)COc1ccc(NS(C)(=O)=O)cc1\n",
      "Cc1nc(N2CCN(C(=O)c3ccco3)CC2)c2c3c(sc2n1)CC(C)CC3\n",
      "COc1cccc(Cn2ncc3c4sc(S(C)=O)cc4n(C)c3c2=O)c1\n",
      "O=C1Nc2ccc(Cl)cc2C(c2ccccc2Cl)=NC1O\n",
      "CN1C2CCC1CC(NC(=O)c1nn(C)c3ccccc13)C2\n",
      "CCCn1ncc(CN2CCCC(C(=O)c3cccc(OC(C)C)c3)C2)c1C\n",
      "COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1\n",
      "CCOC(=O)C1C(C)=NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1\n",
      "Cc1cc(C)c(NC(=O)C2CC3CCC2C3)c(C)c1\n",
      "O=C(CCC1COc2ccccc2O1)Nc1ncccc1O\n",
      "Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2\n",
      "CC(C)[C@]12O[C@H]1[C@@H]1O[C@@]13[C@@]1(C)CCC4=C(COC4=O)C1C[C@@H]1O[C@@]13[C@@H]2O\n",
      "CC(=O)[C@@]1(O)CCC2C3C[C@H](C)C4=CC(=O)C=CC4(C)[C@@]3(F)[C@@H](O)C[C@@]21C\n",
      "COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)CC3)nc(N)c2cc1OC\n",
      "CCN(CC)c1ccc(C2Nc3ccccc3NC3=C2C(=O)CC(c2ccccc2)C3)cc1\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "CCn1cc(CN2CCCC(C(=O)c3cccc(C(F)(F)F)c3)C2)cn1\n",
      "CC1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)OC5OC(CO)C(OC6OCC(OC7OC(CO)C(O)C(O)C7O)C(OC7OCC(O)C(O)C7O)C6O)C(O)C5O)CCC34C)C2(C)C)C(O)C(O)C1OC1OCC(O)C(O)C1O\n",
      "CC1CC(=O)C2C(O)(C1)CC(O)C13OC1c1c(O)cccc1C(=O)C23O\n",
      "Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2C(C(=O)O)C(C)(C)S[C@H]12\n",
      "C=CC[N@@+]12CC[C@]34c5ccccc5N5C=C6C7N(C=C(C53)[C@@H](C[C@@H]41)C(=CCO)C2)c1ccccc1[C@@]71CC[N@@+]2(CC=C)CC(=CCO)[C@H]6C[C@H]12\n",
      "CCOC(=O)C1=C(N)Oc2ccc(Br)cc2C1C(C#N)C(=O)OCC\n",
      "COc1cc2c(cc1O)C(c1cccs1)N(Cc1ccc([N+](=O)[O-])o1)CC2\n",
      "CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\\c1ccc(S(C)=O)cc1\n",
      "OC12C3C4CC5C6C4C1C6C(C53)N2CCc1cccc(F)c1\n",
      "C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)C(CC[C@]4(C)C3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@H]63)[C@@H](O)C[C@]54C)[C@]2(C)CO)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H]1O\n",
      "CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)C1CCCCC1\n",
      "NCC(O)c1ccc(O)cc1\n",
      "CN1CCCCC1CCN1c2ccccc2Sc2ccc(S(C)=O)cc21\n",
      "CN1C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12\n",
      "Clc1ccc(C2=CCCC3CCC2N3)cn1\n",
      "CCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2OP(=O)(O)OC[C@@H]2[C@H]1OC(=O)CCC\n",
      "CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)C(C(=O)O)C(C)C\n",
      "C#C[C@]1(O)CCC2C3CCc4cc(OC)ccc4C3CC[C@@]21C\n",
      "CC(N)C(=O)OC(C)(C)Cc1ccc(Cl)cc1\n",
      "CCCCCCCCCCCCCCCC(=O)OCC(O)[C@H]1OC(=O)C(=O)C1O\n",
      "CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)C1CC=C(CO)C[C@H]21\n",
      "COc1c(O)cc2c(c1O)C1OC(CO)C(O)C(O)C1OC2=O\n",
      "CCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2OP(=O)(O)OC[C@H]2[C@H]1OC(=O)CCC\n",
      "CCCCCCCCCCCCCC(=O)OC1C(C)C2(O)C(C=C(CO)CC3(O)C(=O)C(C)=CC32)C2C(C)(C)C12OC(C)=O\n",
      "C=CC(C)(O)CC/C=C(\\CO)C(=O)O[C@@H]1C(C)O[C@@H](O[C@](C)(C=C)CC/C=C(\\CO)C(=O)O[C@H]2C[C@@]3(C(=O)O[C@@H]4OC(CO)[C@@H](O)[C@@H](O)[C@@H]4O[C@@H]4OC(C)[C@H](O[C@@H]5O[C@@H](CO)[C@H](O)[C@@H]5O)[C@@H](O[C@@H]5OC(CO)[C@@H](O)[C@@H](O)[C@@H]5O)[C@@H]4O)C(CC2(C)C)C2=CCC4[C@@]5(C)CC[C@H](O[C@@H]6OC(CO[C@@H]7OC(C)[C@H](O)[C@@H](O)[C@@H]7O[C@@H]7OC[C@@H](O)[C@@H](O)[C@@H]7O)[C@@H](O)[C@@H](O)[C@@H]6NC(C)=O)C(C)(C)C5CC[C@@]4(C)[C@]2(C)C[C@H]3O)[C@@H](O)[C@@H]1O\n",
      "CCOC(=O)C(CCc1ccccc1)NC1CCc2ccccc2N(CC(=O)O)C1=O\n",
      "CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1CC1C3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C\n",
      "CN(CCOc1ccc(CC(Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1)c1ccccn1\n",
      "OC(CCCN1CCN(c2ncc(F)cn2)CC1)c1ccc(F)cc1\n",
      "CC1c2cccc(O)c2C(=O)C2C(=O)[C@]3(O)C(=O)C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3C[C@@H]21\n",
      "CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)CC(c1ccc(O)cc1)O2\n",
      "CC(C)OC(=O)c1cc2c(OCC(O)CNC(C)(C)C)cccc2[nH]1\n",
      "C=C(C)[C@@H]1C2C(=O)O[C@H]1[C@@H]1OC(=O)[C@@]34OC3C[C@]2(O)[C@@]14C\n",
      "O=C(NC(Cc1cc(=O)[nH]c2ccccc12)C(=O)O)c1ccc(Cl)cc1\n",
      "CCCCCC(O)/C=C/C=O\n",
      "CCCC(=O)Nc1ncnc2c1ncn2C1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1OC(=O)CCC\n",
      "CCN(CC)C(C)CN1c2ccccc2Sc2ccccc21\n",
      "NC(=O)CS(=O)C(c1ccccc1)c1ccccc1\n",
      "C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)OC(O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O\n",
      "CC(=O)OCC(=O)C12OC3(CCCC3)OC1CC1C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC12C\n",
      "CN(Cc1ccccc1)C(=O)C1CCCN(Cc2ccccc2C(F)(F)F)C1\n",
      "Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1\n",
      "CC(C)(c1ccc(OCC2CO2)cc1)c1ccc(OCC2CO2)cc1\n",
      "CC(COc1ccccc1)NC(C)[C@H](O)c1ccc(O)cc1\n",
      "CC1(C)SC2C(NC(=O)C(N)c3ccccc3)C(=O)N2C1C(=O)O\n",
      "COc1ccc(OC)c(-c2nnc3n2N=C(c2ccc(OC)c(OC4CCOC4)c2)CS3)c1\n",
      "Oc1ccc2c3c1OC1C(O)CC[C@@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@]314\n",
      "CCC1C=CC=C2C1=NC1=C2CCOC1(CC)CC(=O)O\n",
      "COC(=O)[C@H](Cc1ccccc1)NC(=O)/C(=C1\\OC(=O)C(c2ccccc2)C1=O)c1ccccc1\n",
      "CC1CCCC=CC2CC(O)CC2C(O)C=CC(=O)O1\n",
      "CC(C(=O)O)c1ccc2c(c1)[nH]c1ccc(Cl)cc12\n",
      "CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12\n",
      "CC1CC2C3CCC4=CC(=O)C=CC4(C)[C@@]3(Cl)C(O)CC2(C)C1(O)C(=O)CO\n",
      "O=C1CC2(CCCC2)CC(=O)N1CCCCNCC1COc2ccccc2O1\n",
      "CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(C(O)CNC(C)(C)C)c1\n",
      "C=C[C@]12CN(C)[C@@H]3[C@H]4COC(CC41)[C@]1(C(=O)Nc4ccccc41)[C@H]32\n",
      "CC(C)Cc1ccc(C(C)C(=O)O)cc1\n",
      "CCOC(=O)C(C)Oc1cccc2c(=O)n(CC(=O)Nc3ccc(OC)cc3)ccc12\n",
      "CC1CN(c2ccnc3cc(Cl)ccc23)CCN1C(=O)c1ccc(Cl)cc1\n",
      "COc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1COc1ccc(NC(C)=O)cc1\n",
      "CC1(C)C=CC(=O)[C@@]2(C)C1CC(=O)[C@]1(C)C2CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)C3OC321\n",
      "C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)[C@@H]3[C@H]1CC[C@@H]2O\n",
      "Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)O)O2\n",
      "Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O\n",
      "CN1C(=O)CC(c2ccccc2)C1=O\n",
      "CCOC(=O)C12CC1C(=NO)c1ccccc1O2\n",
      "CCCCC(CC)COC(=O)c1ccccc1C(=O)O\n",
      "Cn1c2cc(S(C)=O)sc2c2cnn(Cc3cccc(N)c3)c(=O)c21\n",
      "COc1ccc(C(C(=O)NC2CCCCC2)N(C(=O)CCl)c2cccc(Cl)c2)cc1\n",
      "COc1cc([C@@H]2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3OCC(=O)[C@@H]32)OCO4)cc(OC)c1O\n",
      "Nc1ncnc2c1c(I)cn2C1OC(CO)C(O)C1O\n",
      "CN(C)CC(O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21\n",
      "CCCCC(CC)CN1CN(CC(CC)CCCC)CC(C)(N)C1\n",
      "C[C@]12CCC3c4ccc(O)cc4CCC3C1C[C@@H](O)[C@@H]2O\n",
      "c1ccc2c(c1)OCC(C1=NCCN1)O2\n",
      "COc1ccc(C(C(=O)NC2CCCCC2)N(C(=O)CCl)c2ccc(Cl)cc2)cc1\n",
      "OC(CN1CCNCC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21\n",
      "C[C@]12CCC3c4ccc(O)cc4CCC3C1CC[C@@H]2O\n",
      "CC(=O)Oc1ccc2c(c1OC(C)=O)OCC1(O)Cc3c(cc(OC(C)=O)c(OC(C)=O)c3OC(C)=O)C21\n",
      "CC(/C=C/C(=O)NO)=C\\C(C)C(=O)c1ccc(N(C)C)cc1\n",
      "CN1C2CCCC1CC(=O)C2\n",
      "CC(CN(C)C)CN1c2ccccc2CCc2ccccc21\n",
      "CC(O)CO\n",
      "C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\\CC1)O[C@@](O)(C1CSC(=O)N1)C2\n",
      "CCOC(=O)C1=CC2(CC)CCCN3CCc4c(n1c1ccccc41)C32\n",
      "COC1=C2CC(C)CC(OC)C(O)C(C)/C=C(\\C)C(OC(N)=O)C(OC)/C=C/C=C(\\C)C(=O)NC(=CC1=O)C2=O\n",
      "C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1\n",
      "CN1CCN2c3ccccc3Cc3ccccc3C2C1\n",
      "Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O\n",
      "CC1(C)Oc2ccc3ccc(=O)oc3c2CC1O\n",
      "Cc1ccc(SC(C)C(=O)Nc2nc[nH]n2)cc1\n",
      "Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O\n",
      "CNC1(C)C2CCC(C2)C1(C)C\n",
      "CC(=O)[C@H]1CCC2C3C[C@H](C)C4=CC(=O)CC[C@]4(C)C3[C@@H](O)C[C@@]21C\n",
      "CC1OC(n2cnc3c(N)ncnc32)CC1O\n",
      "CC(C)NCC(O)COc1ccc(CC(N)=O)cc1\n",
      "C#CC1(O)CCC2C3CCC4=Cc5oncc5CC4(C)C3CCC21C\n",
      "CN1C(=O)CCS(=O)(=O)C1c1ccc(Cl)cc1\n",
      "C=CC1(C)C=C2CCC3C(C)(C)C(O[C@@H]4O[C@@H](CO)[C@H](O)[C@H]4O)CCC3(C)C2CC1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O\n",
      "CNC(=O)C1OC(n2cnc3c(NCc4cccc(I)c4)ncnc32)C(O)C1O\n",
      "NC(C(=O)O)c1cc(O)cc(O)c1\n",
      "C=C(NC(=O)C(=C)NC(=O)c1csc(C2=NC3c4csc(n4)C4NC(=O)c5csc(n5)C(C(C)(O)C(C)O)NC(=O)C5CSC(=N5)/C(=C\\C)NC(=O)C(C(C)O)NC(=O)c5csc(n5)C3(CC2)NC(=O)C(C)NC(=O)C(=C)NC(=O)C(C)NC(=O)C(C(C)CC)NC2C=Cc3c(C(C)O)cc(nc3C2O)C(=O)OC4C)n1)C(N)=O\n",
      "CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@@H]3C(=O)N[C@@H](C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2OC(CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(N)[C@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O\n",
      "Cc1ccc(NC(=O)C2CC3CCC2C3)c(C)c1\n",
      "NC(CC(=O)Nc1ccc(Oc2cc(F)c(F)cc2Br)cc1)C(=O)O\n",
      "O=C1OC2(c3cc(Br)c(O)cc3Oc3c2cc(Br)c(O)c3[Hg]O)c2ccccc21\n",
      "C[N+]1(C)CCOC(O)(c2ccc(-c3ccc(C4(O)C[N+](C)(C)CCO4)cc3)cc2)C1\n",
      "COc1ccc(C2Nc3ccccc3C(=O)N2Cc2cccs2)cc1COc1c(C)cccc1C\n",
      "COc1ccc(CC2NCCC3=CC(=O)CCC32)cc1O\n",
      "Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1\n",
      "Oc1ccc2c3c1OC1c4oc5ccccc5c4CC4(O)C(C2)N(CC2CC2)CCC314\n",
      "N#Cc1ccc(-c2ccc(C3Nc4ccccc4C(=O)N3O)o2)cc1\n",
      "O=C(C1CCCCC1)N1CC(=O)N2CCc3ccccc3C2C1\n",
      "CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl\n",
      "COP(=O)(OC)C(O)C(Cl)(Cl)Cl\n",
      "C[C@]12CCC3c4ccc(OS(=O)(=O)O)cc4CCC3C1CCC2=O\n",
      "CC[N+](CC)(CC)CCC(O)(c1ccccc1)C1CCCCC1\n",
      "COc1cc2nc(N3CCN(C(=O)C4CCCO4)CC3)nc(N)c2cc1OC\n",
      "CCCC1=C(/C=C/C(=O)O)C(=O)C(C(C)(C)C2OC(CCC)=C(/C=C/C(=O)O)C2=O)O1\n",
      "CC(Cc1cccc(C(F)(F)F)c1)NCCOC(=O)c1ccccc1\n",
      "COc1ccnc(CS(=O)c2nc3cc(OC(F)F)ccc3[nH]2)c1OC\n",
      "COc1ccc(-c2nnn(CC(=O)N(C3CCCCC3)C(C)C(=O)NC3CCCC3)n2)cc1OC\n",
      "CCC(NC(C)C)C(O)c1ccc(O)c2[nH]c(=O)ccc12\n",
      "CC#CCOC(=O)c1c(C)nc2sc3c(c2c1N)CCC(O)C3\n",
      "CC1(C)C(=O)N=C2c3ccccc3C(=O)C(=O)C21\n",
      "CN(C)[C@@H]1C(=O)C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]12\n",
      "CN1CCCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1\n",
      "CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(C(=O)OC)C5(CC)C=CCN6CCC43C65)C2)C1\n",
      "CN1C(C(=O)Nc2ccccn2)C(=O)c2sccc2S1(=O)=O\n",
      "CC(/N=C(\\NC#N)Nc1ccncc1)C(C)(C)C\n",
      "CCC[C@@H]1C[C@@H](C(=O)N[C@@H](C2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)[C@H](C)Cl)N(C)C1\n",
      "CN(C)CCC(c1ccccc1)c1ccccn1\n",
      "CC(=O)OC1CCC2C3CCc4cc(O)ccc4C3CCC12C\n",
      "CCCCC(=O)OC1(C(=O)CO)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C\n",
      "CC(C)CC(N(C)C)C1(c2ccc(Cl)cc2)CCC1\n",
      "C[C@]12CC(C=O)C(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O\n",
      "C1=C(CN2CCOCC2)COc2c1cccc2OCC1CNCCO1\n",
      "CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)C(O[C@H]3C[C@H](OC)C(O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@]34O)O2\n",
      "CCC(C)C(N)C1=NC(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H]2CCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CCCN)NC2=O)[C@@H](C)CC)CS1\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C\n",
      "CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H](C(C)CC2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\\C)[C@@H](O)[C@@H](OC)C(=O)[C@@H](C)C[C@H](C)/C=C/C=C/C=C\\1C\n",
      "CCC(C)N1CCC2(CC1)N=C1C(=C3NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)C=CO[C@@]4(C)Oc5c(C)c(O)c(c1c5C4=O)C3=O)N2\n",
      "CC(=O)NC(c1cccs1)c1cc(F)c2cccnc2c1O\n",
      "CCN1CCN(C(c2cccnc2)c2cc(Cl)c3cccnc3c2O)CC1\n",
      "NCC(CS(=O)(=O)O)c1ccc(Cl)cc1\n",
      "CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1\n",
      "CC(C)c1cn(C2OC(COC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C2OC(=O)c2ccccc2)c(=O)[nH]c1=O\n",
      "CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23\n",
      "CC1CCC[C@H](O)CCCCCc2cc(O)cc(O)c2C(=O)O1\n",
      "CC1C(=O)C(=O)C=C2C1=CC=C1[C@@]2(C)CCC2(C)[C@@H]3C[C@](C)(C(=O)O)CC[C@]3(C)CC[C@]12C\n",
      "CC1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23\n",
      "CCCC[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@H]12\n",
      "O=C1c2ccccc2CCC1CNCCc1ccc(O)cc1\n",
      "CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O\n",
      "c1cncc(C2CCCN2)c1\n",
      "COC1=C[C@]23CCCN2CCc2cc4c(cc2[C@]3(C)C1OC(=O)[C@@](O)(CCCC(C)(C)O)CC(=O)O)OCO4\n",
      "COc1ccc(CC2c3cc(OC)c(OC)cc3CCN2C)cc1OC\n",
      "COCCOC(=O)C1C(C)=NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1\n",
      "CCOc1ccccc1-n1c(C(C)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)nc2ccccc2c1=O\n",
      "CN1C2CCC1CC(OC(c1ccccc1)c1ccccc1)C2\n",
      "CN1CCN(CC(C(=O)c2ccc(F)cc2)c2ccccc2)CC1\n",
      "CCCCC(=O)O[C@]1(C(=O)CO)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@@H](O)C[C@@]21C\n",
      "CNCC(O)c1cc(OCc2ccccc2)c(OCc2ccccc2)cc1F\n",
      "CCC1(c2ccc(N)cc2)CCC(=O)NC1=O\n",
      "O=C(c1ccc(Br)cc1)C(CN1CCOCC1)c1ccccc1\n",
      "CC12CCC3C(CC=C4CC(O)CCC43CO)C1CCC2OC(=O)c1ccccc1\n",
      "Cc1noc(-c2ccc(CSCCC(=O)O)cc2)c1NC(=O)OC(C)c1ccccc1Cl\n",
      "CN([N+][O-])C(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O\n",
      "N#Cc1ccc(C2CCCc3cncn32)cc1\n",
      "CC[C@H]1CN2CCc3cc(OC)c(OC)cc3C2C[C@@H]1CC1NCCc2cc(OC)c(OC)cc21\n",
      "O=C1C=C2C=C[C@@H]3CC2(O1)[C@H]1CCCCN31\n",
      "OC1c2cc(Cl)cc(Cl)c2N=C2CCCN21\n",
      "COC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CCC2)C1c1ccccc1\n",
      "CC1=CC2OC3CC4OC(=O)/C=C\\C=C\\C(=O)OCCC(C)C(O)C(=O)OCC2(CC1)C4(C)C31CO1\n",
      "CC1(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)OCc2ccccc2-n2cccc21\n",
      "CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C\n",
      "CCN1C[C@]2(COC)CCC(OC)[C@@]34C5C[C@]6(O)[C@H](OC)C[C@](OC(C)=O)(C5[C@H]6OC(=O)c5ccc(OC)cc5)[C@@H]([C@H](OC)C23)[C@@H]14\n",
      "Clc1ccc(C(c2ccc(Cl)cc2)n2cc[n+](CC(OCc3ccc(Cl)cc3Cl)c3ccc(Cl)cc3Cl)c2)cc1\n",
      "CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1\n",
      "NS(=O)(=O)c1cc(C2(O)NC(=O)c3ccccc32)ccc1Cl\n",
      "Cc1cccc(C)c1NC(=O)C(Cl)C(=O)c1ccccc1\n",
      "COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)C1c1cccc([N+](=O)[O-])c1\n",
      "O=C(Nc1ccc2ccccc2c1)C1CC2CCC1C2\n",
      "CC(=O)C1C(=O)C2C3c4c[nH]c5cccc(c45)CC3C(C)(C)N2C1=O\n",
      "CC(C)NCC(O)COc1ccccc1-n1cccc1\n",
      "CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCC(=O)O)c(OC)c3)c(=O)n2C1c1ccccc1Cl\n",
      "N#CC(Cc1ccc(O)cc1)c1ccc(O)cc1\n",
      "CN(C)[C@@H]1C(=O)C(C(=O)NCN2CCCC2)C(=O)[C@@]2(O)C(=O)C3C(=O)c4c(O)cccc4[C@@](C)(O)C3CC12\n",
      "C=CC[C@]1(O)CCC2C3CCC4=CC(=O)CCC4=C3C=C[C@@]21C\n",
      "COc1ccc(C(NC(=O)c2ccccc2)c2ccc3cccnc3c2O)c(OC)c1\n",
      "C[C@]12C[C@H](O)C3C(CCC4=CC(=O)C=C[C@@]43C)C1CC[C@]2(O)C(=O)CO\n",
      "C[C@]12CCC3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@H]1CCC2=O\n",
      "CC(C)(O)/C=C/C(=O)[C@](C)(O)C1[C@H](O)C[C@@]2(C)C3CC=C4C(CC(=O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C\n",
      "CC1CCN=C(N)S1\n",
      "COc1cccc2c1O[C@H]1C(=O)CC[C@H]3CN(C)CCC231\n",
      "O=C(Nc1ccccc1)NC1CC(C(=O)O)Nc2cc(Cl)cc(Cl)c21\n",
      "COc1ccc(C2CC(c3ccccc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1\n",
      "CC(=O)O[C@H]1C(=O)[C@@]2(C)C([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O\n",
      "c1ccc2c(c1)CCCC2C1=NCCN1\n",
      "NS(=O)(=O)c1cc2c(cc1Cl)NC(C(Cl)Cl)NS2(=O)=O\n",
      "COc1ccc(C[C@H](N)C(=O)N[C@@H]2[C@@H](CO)OC(n3cnc4c(N(C)C)ncnc43)[C@@H]2O)cc1\n",
      "Cc1cc(Nc2nc(NC(C)c3ncc(F)cn3)ncc2Cl)n[nH]1\n",
      "C[C@]12CC[C@H](O)C[C@H]1CCC1C2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)[C@@H](O)C[C@]12O\n",
      "CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1\n",
      "COC(=O)C1=C(C)NC(C)=C(C(=O)OCCSc2ccccc2)C1C\n",
      "C[C@]12CCC3C(C=CC4=CC(=O)CC[C@@]43C)C1CC[C@@]2(O)CCC(=O)O\n",
      "OCC(O)CN1CCN(c2ccccc2)CC1\n",
      "CN(C)CCOC(c1ccc(Cl)cc1)c1ccccn1\n",
      "C=CCn1c(=O)n(C2OC(CO)C(O)C2O)c2nc(N)[nH]c(=O)c21\n",
      "CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1\n",
      "CN1Cc2c(N)cccc2C(c2ccccc2)C1\n",
      "CC(C)c1ccc(NC(=O)C2CC3CCC2C3)cc1\n",
      "CCCCCC(=O)O[C@]1(C(C)=O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@@]21C\n",
      "CC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccn1)C(C)C\n",
      "CCCCCN(CCCCC)C(=O)C(CCC(=O)O)NC(=O)c1ccc(Cl)c(Cl)c1\n",
      "COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(CNC(C)C(C)C)cc3)s2)cc1C(=O)N1CCN(C(C)=O)CC1\n",
      "CC(C)=CC[C@H]1O[C@]2(O)C([C@H]3CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)C(C)(C)C5CC[C@@]4(C)[C@]3(C)[C@H]2O)[C@@]1(C)O\n",
      "CCN1C(=O)NC(c2ccccc2)C1=O\n",
      "NC(C(=O)O)c1ccc(O)c(C(=O)O)c1\n",
      "CN1CC(CNC(=O)OCc2ccccc2)CC2c3cccc4c3c(cn4C)CC21\n",
      "CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1\n",
      "CCOc1ccc(NC(=O)C(C)Sc2ncnc3sc(-c4ccccc4)cc23)cc1\n",
      "CCNC1(c2cccs2)CCCCC1=O\n",
      "O=C(NCCCN1CCCCCC1)C(c1ccccc1)C1CCCCC1\n",
      "COc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1COc1c(C)cc(NC(C)=O)cc1C\n",
      "CC(=O)C(C#N)C(=O)Nc1cc(Br)ccc1Br\n",
      "O=C(Nc1ccccc1)OCC(CN1CCCCC1)OC(=O)Nc1ccccc1\n",
      "CC(=O)OCC(=O)[C@@]1(O)[C@H](OC(C)=O)CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C\n",
      "CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl\n",
      "CC1(C)CC2C1CC[C@]1(C)CCC3C(C(=O)O)CC(=O)O[C@@]32C1\n",
      "COC(=O)C1=C(C)N=C(C)C(C(=O)OC)C1c1ccccc1[N+](=O)[O-]\n",
      "COC1C(O)C(CO)OC1n1cnc2c(NC3CCCCC3)ncnc21\n",
      "C=C1/C(=C/C=C2\\CCCC3(C)C2CCC3C(C)/C=C/C(O)C2CC2)CC(O)CC1O\n",
      "CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1\n",
      "COc1cc(Br)c(OC)c2c1C(CN)C2\n",
      "Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1\n",
      "NCC(N)C(=O)c1ccccc1\n",
      "CC(C)(O)c1ccccc1CCC(SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1\n",
      "Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](CO)C(O)C1O\n",
      "CC(OC(=O)c1cccc(NS(C)(=O)=O)c1)C(=O)Nc1ccc(N2CCOCC2)cc1\n",
      "COc1ccccc1OCC(O)COC(N)=O\n",
      "Cn1cc(C(F)(F)F)nc1-c1ccc(OCC(O)CNCCOc2ccc(O)c(C(N)=O)c2)cc1\n",
      "OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1\n",
      "CC12CCC3C(CCC4C(=O)C(=O)CCC43C)C1CCC2=O\n",
      "CC1=C2N=C(C=C3N=C(C(C)=C4[C@@H](CCC(N)=O)[C@](C)(CC(N)=O)[C@](C)([C@H]5N=C1[C@](C)(CCC(=O)NC[C@@H](C)OP(=O)(O)O[C@@H]1[C@@H](CO)O[C@H](n6cnc7cc(C)c(C)cc76)[C@@H]1O)[C@H]5CC(N)=O)N4[Co+]C#N)[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)C(C)(C)[C@@H]2CCC(N)=O\n",
      "Cc1ccnc(NC(=S)N2CC3CN(c4cccc(C(F)(F)F)c4)CC3C2)c1\n",
      "CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COP(=O)(O)OCCN\n",
      "CCC(C)[C@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(N)=O)C(C)(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC1=O\n",
      "CCN1CC2(COC(=O)c3ccccc3N3C(=O)CC(C)C3=O)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6OC)C(O)(C(OC)C23)C14\n",
      "CCN1CCN(C(c2cccnc2)c2ccc3cccnc3c2O)CC1\n",
      "S=C1CC(c2ccccc2)Sc2ccccc2N1\n",
      "C=C1C2CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)C[C@]13O[C@H]1CC(=O)C(C)(C)C(CC(=O)OC)[C@@]21C\n",
      "CC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@H](OC(=O)CCC(=O)O)C[C@@]21C\n",
      "Oc1ccc(Cl)cc1Nc1nc(NCC2CCCO2)c2ccccc2n1\n",
      "CC(C)(C)c1ccc2c(c1)OC(C(=O)N/N=C/c1ccc[nH]1)CO2\n",
      "CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C(N)Cc1ccc(O)cc1)C(=O)O\n",
      "COc1cc(O)c(C(CC(=O)N2CCCC(C)C2)c2ccc3c(c2)OCO3)c(OC)c1\n",
      "C#CCN1C(C)=C(C(=O)CCO)C(c2cccc(-n3oo3)c2)C(C(=O)OC)=C1C\n",
      "CC(N)CCCC(C)(C)O\n",
      "CCOC(=O)OC(C)OC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@@H]2SC1(C)C\n",
      "N=C(N)Nc1ccc2[nH]c3c(c2c1)CC1(O)C2Cc4ccc(O)c5c4C1(CCN2CC1CC1)C3O5\n",
      "Clc1ccc(C(Cn2ccnc2)OCc2ccsc2Cl)c(Cl)c1\n",
      "CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1\n",
      "Cc1cc(=O)oc2c(CNC(CC(C)C)C(=O)O)c(O)ccc12\n",
      "COC(=O)Nc1nc2ccc(S(=O)c3ccccc3)cc2[nH]1\n",
      "CN1CCCC(CC2c3ccccc3Sc3ccccc32)C1\n",
      "C=CC(C)(O)CC/C=C(\\C)C(=O)O[C@@H]1C(C)O[C@@H](O[C@](C)(C=C)CC/C=C(\\CO)C(=O)O[C@H]2C[C@@]3(C(=O)O[C@@H]4OC(CO)[C@@H](O)[C@@H](O)[C@@H]4O[C@@H]4OC(C)[C@H](O[C@@H]5O[C@@H](CO)[C@H](O)[C@@H]5O)[C@@H](O[C@@H]5OC(CO)[C@@H](O)[C@@H](O)[C@@H]5O)[C@@H]4O)C(CC2(C)C)C2=CCC4[C@@]5(C)CC[C@H](O[C@@H]6OC(CO[C@@H]7OC(C)[C@H](O)[C@@H](O)[C@@H]7O[C@@H]7OC[C@@H](O)[C@@H](O)[C@@H]7O)[C@@H](O)[C@@H](O)[C@@H]6NC(C)=O)C(C)(C)C5CC[C@@]4(C)[C@]2(C)C[C@H]3O)[C@@H](O)[C@@H]1O\n",
      "CCCCC1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O\n",
      "CN(C)CC1Cc2ccccc2C1=O\n",
      "C[N+]1([O-])[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@H]12\n",
      "CC(C(=O)O)c1ccc(C(=O)c2cccs2)cc1\n",
      "CCCCCCCCNC(C)C(O)c1ccc(SC(C)C)cc1\n",
      "CC1(c2ccccc2)CC(=O)N(c2ccc(NC(=O)c3ccccn3)cc2Cl)C1=O\n",
      "COc1ccc(C2CNC(=O)C2)cc1OC1CCCC1\n",
      "CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1\n",
      "CN1CCN(C(=O)OC2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1\n",
      "COc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccc(C)o2)cc1COc1c(C)cccc1C\n",
      "CN(C)c1cc(NC(=O)CNC(C)(C)C)c(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(=O)C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1C2=O\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "COC(c1ccccc1)(c1ccccc1)C(Oc1nc(C)cc(C)n1)C(=O)O\n",
      "CC(C)(C)NCC(O)COc1cccc2[nH]c(=O)[nH]c12\n",
      "CC1CC(OC(=O)c2ccccc2O)CC(C)(C)C1\n",
      "C[C@@H]1O[C@@H](O[C@@H]2C=C3CCC4C(CC[C@]5(C)[C@@H](c6ccc(=O)oc6)CC[C@]45O)[C@@]3(C)CC2)[C@H](O)[C@H](O)[C@H]1O\n",
      "CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O\n",
      "CC1OC(OCC2OC(Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)C2O)C(O)C(O)C1O\n",
      "Cc1cccc(N2CCN(C(=O)COc3noc4nc(C)cc(C)c34)CC2C)c1\n",
      "O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21\n",
      "CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO\n",
      "OC1c2c(F)cccc2N=C2CCCCN21\n",
      "CCNC(=O)C1OC(n2cnc3c(N)ncnc32)C(O)C1O\n",
      "COC(=O)C(CCCNC(=N)N)NC(=O)CCCc1c(-c2ccccc2)[nH]c2c(F)cc(F)cc12\n",
      "COC(=O)C1C(C)=NC(C)=C(C(=O)O[C@@H]2CCCN(Cc3ccccc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1\n",
      "COc1cc([C@@H]2c3cc4c(cc3C(O[C@@H]3O[C@@H]5CO[C@@H](c6cccs6)OC5[C@H](O)[C@H]3O)C3COC(=O)[C@@H]32)OCO4)cc(OC)c1O\n",
      "O=C1CSC(c2ccccc2Cl)c2cc(Cl)ccc2N1\n",
      "O=C1OC(CN2CCOCC2)CN1N=Cc1ccc([N+](=O)[O-])o1\n",
      "C=C(C(=O)O[C@H]1C/C(C)=C/CC/C(CO)=C/[C@H]2OC(=O)C(=C)[C@H]12)C(O)CO\n",
      "C=Cc1c(C)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CCC(=O)O)c(CCC(=O)OC)c4C)[C@@]1(C)C3=CC=C(C(=O)OC)C1C(=O)OC\n",
      "C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1\n",
      "CC(=O)[C@H]1CCC2C3CC=C4C[C@@H](OC(=O)CCC(=O)O)CC[C@]4(C)C3CC[C@@]21C\n",
      "CC(=O)O[C@]1(C(C)=O)CCC2C3C=C(C)C4=CC(=O)CCC4(C)C3CCC21C\n",
      "CC(=O)OCC(=O)[C@@]12OC3(CCCC3)O[C@@H]1CC1C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C\n",
      "COc1ccc2c(c1)SC1=NC(=O)C(Cc3ccccc3)C(=O)N12\n",
      "CC12CCC3c4ccc(OC(=O)c5ccccc5)cc4CCC3C1CCC2O\n",
      "CC(Cc1ccccc1)(NC(=O)CN)c1ccccc1\n",
      "O=c1c(-c2ccc(O)cc2)coc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12\n",
      "COC(=O)c1c(NC(=O)CC2Nc3cccc4cccc(c34)NC2=O)sc(C)c1C\n",
      "O=C1C(CCS(=O)c2ccccc2)C(=O)N(c2ccccc2)N1c1ccccc1\n",
      "CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1\n",
      "COc1ccc(N(C(=O)CCl)C(C(=O)NCCc2ccccc2)c2cccs2)cc1Cl\n",
      "CN1C(=O)C(Cc2c[nH]c3ccccc23)NC1=S\n",
      "OC(CCN1CCCCC1)(c1ccccc1)C1C[C@@H]2C=C[C@H]1C2\n",
      "CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC\n",
      "CC(CC[C@@H](O)C(C)C)C1CCC2C3CC=C4C[C@@H](O)CC[C@@]4(C)C3CC[C@@]12C\n",
      "COc1ccc(C(=O)Nc2ccccc2C(=O)NC(C(=O)O)C(C)C)cc1\n",
      "CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)C1N2C\n",
      "CCN(CC)C(C)C(=O)c1ccccc1\n",
      "O=C(Cc1ccc(Cl)c(Cl)c1)N1CCCCC1CN1CCCC1\n",
      "CC(C)[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2\n",
      "NN=C1N=NC=C2C=CC=CC21\n",
      "CC(=O)N(CC(C)C(=O)O)c1c(I)cc(I)c(N)c1I\n",
      "C[C@@H]1[C@H]2C3=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)C(C)(C)C5CC[C@@]4(C)[C@]3(C(=O)O)CC[C@@]2(C(=O)O)CC[C@H]1C\n",
      "C=CCN1CCC23c4c5ccc(O)c4OC2C(=O)CCC3(O)C1C5\n",
      "COc1ccc(C(=O)C2CCCN(CC3CCCCC3)C2)cc1OC\n",
      "CS(=O)c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1\n",
      "O=C(NC1CCCCC1)C(c1cccnc1)N(C(=O)CCl)c1ccc(F)cc1\n",
      "CN(C(=O)Cc1ccc(Cl)c(Cl)c1)C(CN1CCCC1)c1cccc(OCC(=O)O)c1\n",
      "C[C@]12C[C@H](O)[C@@]3(F)C(CCC4=CC(=O)C=C[C@@]43C)C1C[C@@H](O)[C@]2(O)C(=O)CO\n",
      "C=C(C)[C@@H]1C2C(=O)O[C@H]1[C@H]1OC(=O)[C@@]34OC3C[C@]2(O)[C@@]14C\n",
      "COc1cc2nc(N3CCN(C(=O)c4ccco4)C4CCCCC43)nc(N)c2cc1OC\n",
      "OCC(O)Cc1ccc2c(c1)OCO2\n",
      "CC1CC(OC(=O)C(O)c2ccccc2)CC(C)(C)N1C\n",
      "C[C@]12CCC3c4ccc(O)cc4CCC3C1CCC2=O\n",
      "C/C=C/C[C@@H](C)[C@@H](O)C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)N[C@H](C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1C\n",
      "O=C(OCC(O)CO)c1ccccc1Nc1ccnc2cc(Cl)ccc12\n",
      "O=C1C(=O)C(C2CCC(c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21\n",
      "CCC(=O)NC1CC2C(=O)Nc3c(C)cccc3C2OC1=O\n",
      "COc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1COc1ccccc1C\n",
      "CCC1(c2ncc[nH]2)Cc2ccccc2O1\n",
      "CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C\n",
      "COc1cc(O)c([C@@H](CC(=O)N2CC(C)CC(C)C2)c2ccc3c(c2)OCO3)c(OC)c1\n",
      "CC(=O)C1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C\n",
      "CC(C)C1C(=O)N(S(C)(=O)=O)[C@@H]2CCN(C(=O)/C=C/CN3CCCCC3)[C@@H]12\n",
      "CC(C)C(C(=O)O)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S\n",
      "COc1ccc(C2=Nn3c(nnc3-c3ccccc3Cl)SC2)cc1OC1CCOC1\n",
      "CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1\n",
      "COc1cccc(N(C(=O)CCl)C(C(=O)NCCc2ccccc2)c2cccs2)c1\n",
      "COc1ccc(NC(=O)c2ccc(OC(C)C(=O)O)cc2)cc1Cl\n",
      "CCOC(=O)OC(C)OC1=C(C(=O)Nc2ccccn2)N(C)S(=O)(=O)c2ccccc21\n",
      "COc1ccc(OC)c(C(O)C(C)N)c1\n",
      "CN(C)[C@@H]1C(=O)C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3C(=O)c4c(O)ccc(Cl)c4[C@@](C)(O)[C@@H]3C[C@@H]12\n",
      "NC(=O)OCC(O)COc1ccc(Cl)cc1\n",
      "CCCCC1(C2CCCC2)Cc2cc(OCCCC(=O)O)c(Cl)c(Cl)c2C1=O\n",
      "Clc1ccc(C2CC3CCC2N3)cn1\n",
      "CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C5CC5[C@]4(C)[C@H]3CC[C@@]21C\n",
      "COCCCOc1ccnc(CS(=O)c2nc3ccccc3[nH]2)c1C\n",
      "C#C[C@]1(O)CCC2C3CCC4=CC(=O)CC[C@@H]4C3CC[C@@]21C\n",
      "CCCCCCCCC=CCCCCCCCC(=O)NC(CO)Cc1ccc(O)cc1\n",
      "O=C(Cc1ccccc1)NC1CCCc2c1cnn2-c1ccc(F)cc1F\n",
      "CC1NC(=O)C(C)NC(=O)C2CCCN2C(=O)C(CCCCCC(=O)C2CO2)NC1=O\n",
      "CN1[C@H]2CC[C@H]1CC(OC(=O)C(O)c1ccccc1)C2\n",
      "CCCCC(=O)O[C@H]1CCC2C3CCc4cc(O)ccc4C3CC[C@@]21C\n",
      "CN[C@H]1[C@@H](O)[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](OC3OC(CN)=CCC3N)[C@@H]2O)OC[C@@]1(C)O\n",
      "COC(=O)C1CC2=CC(=O)CCC2(C)C23OC2CC2(C)C(CCC24CCC(=O)O4)C13\n",
      "CC1CC2OC2/C=C/C=C/C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1\n",
      "CC1(C)C(=O)C=C[C@@]2(C)C1C=C[C@]1(C)C2CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321\n",
      "OC1c2cc(Br)ccc2N=C2CCCCCN21\n",
      "O=C(c1ccccc1)c1ccc2n1CCC2C(=O)O\n",
      "CN(C)c1ccc(O)c2c1CC1CC3[C@@H](N(C)C)C(=O)C(C(N)=O)C(=O)[C@]3(O)C(=O)C1C2=O\n",
      "CC(=O)O[C@@H]1CC[C@@]2(C)C(CC[C@]3(C)C2CC=C2C4CC(C)(C)CC[C@]4(C(=O)O)CC[C@]23C)C1(C)C\n",
      "O=C(O)CC1CCC(CC(O)/C=C\\C/C=C\\CCCCCO)O1\n",
      "COC(C)(C)CCCC(C)C/C=C/C(C)=C/C(=O)O\n",
      "COc1cc(/C=C/C(=O)N2C(=O)C=CCC2c2cccnc2)cc(OC)c1OC\n",
      "NS(=O)(=O)c1cc2c(cc1Cl)NC(CC1CCCC1)NS2(=O)=O\n",
      "COC(C/C=C/C=C/CC/C=C\\CC(C)/C=C\\C(=C/C(=O)O)CC(=O)O)/C(C)=C\\C=C(/C)C(=O)O\n",
      "CC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1\n",
      "NC1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)C1\n",
      "CCC(C)N(C)C(=O)c1cc2ccccc2c(-c2ccccc2Cl)n1\n",
      "O=C1[C@H](CCC(O)c2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1\n",
      "CN(C)[C@@H]1C(=O)C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3C(=O)c4c(O)ccc(Cl)c4[C@@](C)(O)C3C[C@@H]12\n",
      "COc1ccc2c(c1)[C@]13CCCCC1C(C2)N(C)CC3\n",
      "Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1\n",
      "COc1cc(S(C)=O)ccc1-c1nc2ccncc2[nH]1\n",
      "C=CCN1CCC23c4c5ccc(O)c4OC2C(=NNC(=O)c2ccccc2)CCC3(O)C1C5\n",
      "O=c1cc(-c2ccc(O)cc2)oc2c(C3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc(O)c12\n",
      "COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCOC6CC(=O)N2C1[C@H]6[C@H]5C[C@H]43\n",
      "COc1ccc(-c2coc3c(OC)c(OC)cc(OC4OC(CO)C(O)C(O)C4OC4OCC(O)C(O)C4O)c3c2=O)cc1\n",
      "CC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)c1cnco1)c1ccc(C(C)(C)C)cc1\n",
      "C[C@]12CC[C@@H]3[C@@H](CCC4C(=O)C(=O)CC[C@@]43C)[C@H]1CCC2=O\n",
      "CC(C)(C)NCC(O)COc1cccc2c1CCC(=O)N2\n",
      "COc1ccc2[nH]c(S(=O)Cc3ncc(C)c(OC)c3C)nc2n1\n",
      "CCCCC(CC)CNC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NCC(CC)CCCC\n",
      "CNCC(O)c1ccc(O)c(OC)c1\n",
      "Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O\n",
      "CC(COc1ccccc1Cc1ccccc1)N1CCCCC1\n",
      "CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3ccccc32)C(=O)C1\n",
      "O=C(O)COCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1\n",
      "CCC(Cc1c(I)cc(I)c(N)c1I)C(=O)O\n",
      "CN1N=C(N)c2cn(C3OC(CO)C(O)C3O)c3ncnc1c23\n",
      "COc1ccccc1C1c2c(ncn(-c3ccccc3)c2=N)Oc2ccc3ccccc3c21\n",
      "Cc1ncc([N+](=O)[O-])n1CC(O)CCl\n",
      "CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C(=O)O)=CC21\n",
      "Cc1nc(N2CCN(C(=O)C3CC3)CC2)c2c3c(sc2n1)CC(C)CC3\n",
      "CC(C(=O)O)c1ccc(CC2CCCC2=O)cc1\n",
      "COCC(C)NCc1ccc(OC)c(OC)c1OC\n",
      "CC(=O)NC(c1cc(Cl)c2cccnc2c1O)C1CC1\n",
      "C=C(C)C1(O)OC(=O)C=C1OC\n",
      "COc1cc(/C=C/C(=O)N2C(=O)C=CCC2c2cccs2)cc(OC)c1OC\n",
      "CC(C)CCCC/C=C\\CCCCCCCC(=O)OCC(O)CO\n",
      "CCCN1C(C)=C(C(=O)OC)C(c2cccc([N+](=O)[O-])c2)C(C(=O)ON2CCC(c3ccccc3)(c3ccccc3)CC2)=C1C\n",
      "COc1ccc(C2=Nn3c(nnc3-c3ccccc3F)SC2)cc1OC1CCOC1\n",
      "C=CCOc1ccccc1OCC(O)CNC(C)C\n",
      "CCC(C)C(NC(=O)C(C)NC)C(=O)N1CCCC1C(=O)NC1CCCc2ccccc21\n",
      "CC(CN(C)C)C(C)(O)Cc1ccc(Cl)cc1\n",
      "CCN1C[C@]2(C)CC[C@H](O)[C@]34C1[C@H](C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1C2O\n",
      "CC(N/C(=N/C#N)Nc1ccncc1)C(C)(C)C\n",
      "CCOC(=O)C(C)Oc1cccc2c(=O)n(CC(=O)Nc3ccc4c(c3)OCCO4)ccc12\n",
      "Cc1ccccc1N1CCN(S(=O)(=O)CC23CCC(C[C@@H]2NC(=O)[C@@H](N)CCS(C)(=O)=O)C3(C)C)CC1\n",
      "COc1cc2c(cc1OC)C1Cc3ccc(OC)c(OC)c3CN1CC2\n",
      "CCOc1ccccc1OC(c1ccccc1)C1CNCCO1\n",
      "NC1C[C@H]1c1ccccc1\n",
      "CN(C)CCOC(C)(c1ccccc1)c1ccccn1\n",
      "CC(C(=O)O)c1ccc(N2Cc3ccccc3C2=O)cc1\n",
      "CN1C(=O)COc2c(C(=O)NC3CN4CCC3CC4)cc(Cl)cc21\n",
      "CCCC(C)C1(CC)C(=O)NC(=O)NC1=O\n",
      "CC(=O)C(C#N)C(=O)Nc1ccc(OC(F)(F)F)cc1\n",
      "CC(C)C1(NC(=O)C2CC3c4cccc5[nH]cc(c45)CC3N(C)C2)OC2(O)C3CCCN3C(=O)C(Cc3ccccc3)N2C1=O\n",
      "CC#CC1(O)CCC2C3CCC4=CC(=O)CCC4=C3C(c3ccc(N(C)C)cc3)CC21C\n",
      "CCOC(=O)CCC(=O)OC1C(OC2C(C)C(OC3CC(C)(OC)C(O)C(C)O3)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC2(C)O)OC(C)CC1N(C)C\n",
      "CNC(C)C(=O)NC(C(=O)NC(C(=O)Nc1cccc2ccccc12)C(C)C)C(C)C\n",
      "CCCN(CCC)C(=O)C(CCC(=O)O)NC(=O)c1ccccc1\n",
      "C=C1c2c(Cl)ccc(O)c2C(=O)C2C(=O)[C@]3(O)C(=O)C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)C12\n",
      "Cc1ccc(S(=O)(=O)C(c2ccccc2)c2c(C)noc2C)cc1\n",
      "CO[C@@H]1C[C@H](O[C@H]2CC[C@]3(C)C4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@@H]1O\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1\n",
      "NC(Cn1ccc(=O)n(Cc2ccccc2C(=O)O)c1=O)C(=O)O\n",
      "CC(=O)Nc1c(I)c(C(=O)N[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)c(I)c(N(C)C(C)=O)c1I\n",
      "CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc(OC)c(OC)c(OC)c3)c(=O)n2C1c1cccs1\n",
      "CC#CCC(C)[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)O)C[C@H]2C[C@H]1O\n",
      "CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12\n",
      "CCN1CC(CCN2CCOCC2)C(c2ccccc2)(c2ccccc2)C1=O\n",
      "CC12CCC(=O)C=C1CCC1C2[C@@H](O)CC2(C)C1CC[C@]2(O)C(=O)COP(=O)(O)O\n",
      "c1ccc(C2CN3CCSC3=N2)cc1\n",
      "CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O\n",
      "C/C=C1\\C2C=C(C)CC1(N)c1ccc(=O)[nH]c1C2\n",
      "CC1(C)C(=O)CC[C@@]2(C)C1C[C@@H](O)[C@@]1(C)C3=CC(=O)O[C@@H](c4ccoc4)[C@]3(C)CCC21\n",
      "Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@]4(O)C(C2)N(CC2CC2)CC[C@]314\n",
      "CNCC(O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1\n",
      "COC[C@H]([C@@H](O)[C@@H](O)C(=O)NCC[C@@H](C)c1nc(/C=C/C[C@H]2OC3(C[C@H](O)[C@H]2C)OC([C@@H](C[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C(C)/C(C)=C/C=C/C(C)=C\\C#N)OC)[C@@H](OP(=O)(O)O)C3(C)C)co1)N(C)C\n",
      "CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21\n",
      "CC(C)CC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O\n",
      "CCCCS(=N)(=O)CC[C@H](N)C(=O)O\n",
      "COc1ccc2c(c1)CCNC2Cc1ccc(OC)c(O)c1\n",
      "CC(C)C(=O)NC(c1ccco1)c1ccc2cccnc2c1O\n",
      "C[C@@H]1CC[C@H]2[C@@H](C)C(OC(=O)CCC(=O)O)OC3O[C@]4(C)CC[C@@H]1[C@]32OO4\n",
      "Cc1cc(SC(C)C(=O)Nc2ncc(Cl)cc2Cl)nc2ccccc12\n",
      "O=S(=O)(NC1CCCCC1N1CCOCC1)c1ccc(Cl)cc1\n",
      "OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1\n",
      "CO[C@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1N[C@H]12\n",
      "O=C(Nc1ccccc1)C12CC1C(=NO)c1ccccc1O2\n",
      "CC1CNc2c(cccc2S(=O)(=O)N[C@@H](CCCN=C(N)N)C(=O)N2CC[C@@H](C)C[C@@H]2C(=O)O)C1\n",
      "CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1\n",
      "CCC(C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\\C)[C@@H](OC3C[C@H](OC)C(O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2\n",
      "COCC(=O)OC1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2C1C(C)C\n",
      "CCC(=O)O[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@@]21C\n",
      "CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)C(O)[C@H]1O\n",
      "C=C1c2cccc(O)c2C(=O)C2C(=O)[C@]3(O)C(=O)C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12\n",
      "O=C(O)C1CCCN(CCC=C(c2ccccc2)c2ccccc2)C1\n",
      "COc1ccc2c3c1OC1CC(O)C=CC31CCN(C)C2\n",
      "COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2\n",
      "Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1\n",
      "CC(CN(C)C)CN1c2ccccc2Sc2ccccc21\n",
      "CC(C)(Oc1ccc(C2CC2(Cl)Cl)cc1)C(=O)O\n",
      "CC(N)Cn1ccc2cc(F)c(Cl)cc21\n",
      "C[C@@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO\n",
      "Cc1ccc(S(=O)(=O)N2C3C=CC(C3)C2C(=O)O)cc1\n",
      "CC(C)(O)/C=C/C(=O)[C@](C)(O)C1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4C(CC(=O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@@]12C\n",
      "COc1cc(=O)n(C)c2c(OCC(O)C(C)(C)O)cccc12\n",
      "CC1(C)O[C@@H]2CC3C4C[C@H](F)C5=CC(=O)CC[C@]5(C)C4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1\n",
      "O=C(c1ccccc1F)C(CN1CCOCC1)c1ccccc1\n",
      "C[N+]1([O-])[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21\n",
      "CC(C)(C)NCC(O)c1cc(O)cc(O)c1\n",
      "CCCCC(C)(O)CC=C[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC\n",
      "Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1\n",
      "CC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1\n",
      "COc1ccc(C(=O)NC(c2ccc(OC)c(OC)c2)c2cc(Cl)c3cccnc3c2O)cc1\n",
      "O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F\n",
      "N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1S(=O)C(F)(F)F\n",
      "Oc1ccc(C2CNCCc3c2cc(O)c(O)c3Cl)cc1\n",
      "O=C(NC(NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)C(Cl)(Cl)Cl)C(c1ccccc1)c1ccccc1\n",
      "O=C1CC2(CCCC2)CC(=O)N1CCNCC1COc2ccccc2O1\n",
      "O=C(c1ccc(F)cc1)C(CN1CCCC1)c1ccccc1\n",
      "O=[N+]([O-])c1ccc(C(O)CC(O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1\n",
      "C#C[C@]1(O)CCC2C3CCC4=CC(=O)CC[C@@H]4C3CC[C@@]21CC\n",
      "CC[C@@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OC(C)C)NCC(N)CS\n",
      "O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl\n",
      "CCOC1O[C@@H]([C@@H](COCc2ccccc2)OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O\n",
      "CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=C(Cl)C4=CC(=O)C5CC5[C@]4(C)[C@@H]3CC[C@@]21C\n",
      "CCC(=O)O[C@@H](OP(=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)O)C(C)C\n",
      "COc1ccc2c(c1OC)C(=O)O[C@@H]2C1c2c(cc3c(c2OC)OCO3)CCN1C\n",
      "COC(=O)C1C(O)CCC2CN3CCc4c([nH]c5ccccc45)C3CC21\n",
      "O=C1CC(c2ccccc2)CC2=C1C1(CCCC1)NC(Nc1nc3ccccc3o1)=N2\n",
      "COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1\n",
      "c1ccc(-c2nnc(-c3ccccn3)nc2N2CCC(C3CCCCC3)C2)cc1\n",
      "Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1\n",
      "OC(CN1CCN(c2cccc(Cl)c2)CC1)C(c1ccccc1)c1ccccc1\n",
      "O=C(O)CCCC=CCC1COC(C(F)(F)F)OC1c1ccccc1O\n",
      "CCCCN(CCCC)CCC(O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12\n",
      "CC(C)(C)CCN1C[C@H]2C(CNC(=O)c3cc(Cl)cc(Cl)c3)[C@H]2C1\n",
      "CC1=C(CO)C(=O)O[C@H](C(C)[C@H]2CC[C@@H]3[C@H]4C[C@H]5O[C@@]56[C@@H](O)C=CC(=O)[C@@]6(C)C4CC[C@@]23C)C1\n",
      "CCOC(=O)C1=C(C)N=C(C)C(C(=O)OCC)C1c1ccccc1/C=C/C(=O)OC(C)(C)C\n",
      "CC(=O)O[C@@H]1CC2C(C)(C)C=CC(=O)[C@]2(C)C2CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)C4OC43[C@@]21C\n",
      "COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3OC1C[C@H](N)[C@H](O)[C@H](C)O1\n",
      "CN1CCc2cc(Br)c(O)cc2C(c2ccccc2)C1\n",
      "C=C(NC(=O)C(=C)NC(=O)c1csc(C2=N[C@H]3c4csc(n4)[C@H]4NC(=O)c5csc(n5)[C@H]([C@@](C)(O)[C@@H](C)O)NC(=O)[C@H]5CSC(=N5)C(=CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)c5csc(n5)[C@]3(CC2)NC(=O)[C@H](C)NC(=O)C(=C)NC(=O)[C@H](C)NC(=O)[C@H](C(C)CC)N[C@@H]2C=Cc3c([C@H](C)O)cc(nc3[C@H]2O)C(=O)O[C@@H]4C)n1)C(N)=O\n",
      "CC1=CC23C(=O)C(C=C(COC(=O)c4ccccc4)C(O)C2(O)C1OC(=O)c1ccccc1)C1C(CC3C)C1(C)C\n",
      "c1cc2c(cc1C1CCCCC1)c1c3n2CCNC3CCC1\n",
      "Nc1ncnc2c1nc(Br)n2C1OC2COP(=O)(O)OC2C1O\n",
      "CC(C)c1c(O)ccc2c1CCC1[C@@](C)(C=O)CCC[C@]21C\n",
      "CCCCCCC1C(=O)O[C@H](C)[C@H](NC(=O)c2cccc(NC=O)c2O)C(=O)O[C@@H](C)[C@@H]1OC(=O)CC(C)C\n",
      "CN(C)[C@@H]1C(=O)C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@@H]3C[C@@H]12\n",
      "CN1c2ccccc2C(NCCCCCCC(=O)O)c2ccc(Cl)cc2S1(=O)=O\n",
      "CC1=C(C(=O)OC(C)C)C(c2ccc(Cl)cc2)n2c(sc(=Cc3ccc(OCC(=O)O)cc3)c2=O)=N1\n",
      "C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]43C)C1CC[C@H]2O\n",
      "CCCCCCCCCCCCCC=CC(O)C(CO)NC(C)=O\n",
      "Cc1ccccc1C(OCCN(C)C)c1ccccc1\n",
      "O=C1C=C(SCC(=O)c2ccccc2)SC(c2ccc(Cl)cc2)C1\n",
      "CCCNC(C)C(=O)Nc1ccccc1C\n",
      "Cc1cc(C)cc(C(=O)N(C)C(Cc2ccc(-c3ccccc3)cc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)c1\n",
      "Cc1cc(C(=O)C(C)OC(=O)C2=NNC(=O)CC2)c(C)n1-c1ccc(OC(F)F)cc1\n",
      "CC(=O)NC(c1ccco1)c1cc(Cl)c2cccnc2c1O\n",
      "CNC(C)C(O)c1ccccc1\n",
      "C=C1[C@@H]2C[C@]3([C@@H]1O)[C@H]1C[C@@H]4[C@@]5(C)CC[C@H](O)[C@@]4(C1N(CC)C5)[C@@H]3C[C@@H]2O\n",
      "CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(=O)C[C@@]21C\n",
      "Cc1ccc2c(c1)c1c3n2CCNC3CCC1\n",
      "O=C(O[C@H]1CN2CCC1CC2)C1NCc2ccccc2[C@@H]1c1ccccc1\n",
      "CC(=O)NC(c1cccs1)c1cc(Br)c2cccnc2c1O\n",
      "CCC(=O)OC(Cc1ccccc1)(c1ccccc1)C(C)CN(C)C\n",
      "CN1CC(C(=O)NC2(C)OC3(O)C4CCCN4C(=O)C(Cc4ccccc4)N3C2=O)CC2c3cccc4[nH]cc(c34)CC21\n",
      "CCOC(=O)c1cncn1C(C)c1ccccc1\n",
      "COc1ccc(C2CC(c3c(O)cc(C)oc3=O)=NCCS2)c(OC)c1\n",
      "O=C1CC(N2C(=O)C3CC=CCC3C2=O)C2COC1O2\n",
      "CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC\n",
      "CC(NCC(O)CP(=O)(O)CC1CCCCC1)c1ccc(Cl)c(Cl)c1\n",
      "C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]43C)C1CC[C@@H]2O\n",
      "C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(C)=O)[C@@H](O)C1C(C)(C)CC[C@H](O)[C@@]12C\n",
      "CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1\n",
      "Cc1ccccc1OCC(O)CO\n",
      "O=C1/C(=C/c2ccccc2)C[C@@]2(O)C3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5\n",
      "Oc1nc2c(s1)C(c1cccnc1)C1C3CCC(C3)C1S2\n",
      "CCCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)O\n",
      "CC[C@]1(O)CC2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1\n",
      "COc1ccc(C(O)CNC(C)C)c(F)c1OC\n",
      "CC1CNCCN1S(=O)(=O)c1cccc2cnccc12\n",
      "CC1=C(C/C=C(\\C)CCCC(C)CCCC(C)CCCC(C)C)C(=O)c2ccccc2C1=O\n",
      "COc1cc(NC(C)CCCN)c2ncccc2c1\n",
      "CC(/C=C/c1cccc(Oc2ccc(F)cc2)c1)N(O)C(N)=O\n",
      "COc1ccc2nc(S(=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1\n",
      "O=C(O)CNC(=O)C(CS)Cc1ccccc1\n",
      "CCCNC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)OC)C(C)CC\n",
      "CC12CCC(=O)C=C1CCC1C2CCC2(C)C1CCC2(O)C(=O)CO\n",
      "CC(c1cc2ccccc2s1)N(O)C(N)=O\n",
      "CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)C3(F)[C@@H](O)C[C@@]21C\n",
      "CCC(C)SSc1ncc[nH]1\n",
      "C=CCSCC1Nc2cc(Cl)c(S(N)(=O)=O)cc2S(=O)(=O)N1\n",
      "CC1C=CC=CCCC=CC=CC=CC=CC(O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)CC(O)C(C(=O)O)C(O)CC(=O)CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C1O\n",
      "CNS(=O)(=O)c1ccc(C(F)(F)F)cc1S(=O)c1ccccc1C(=O)O\n",
      "O=C1c2ccccc2NC(c2ccc(-c3ccccc3F)o2)N1O\n",
      "COc1ccc2c(c1)nc(S(=O)Cc1ncc(C)c(OC)c1C)n2[Mg]n1c(S(=O)Cc2ncc(C)c(OC)c2C)nc2cc(OC)ccc21\n",
      "Nc1ncnc2c1ncn2C1CCCO1\n",
      "CO[C@@H]1[C@@H](O)[C@H](C)O[C@H](O[C@H]2CC[C@]3(C=O)C4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)C4CC[C@@H]3C2)[C@H]1O\n",
      "COC(=O)C1=C(C)NC2=C(C(=O)CC(c3ccc(Cl)cc3)C2)C1c1ccccc1\n",
      "CN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1\n",
      "C/C=C(\\C)C(=O)OC1CCC(=O)OC1/C=C/C(O)C(C)O\n",
      "CN1C(C(=O)Nc2ccccn2)C(=O)c2ccccc2S1(=O)=O\n",
      "O=C(Nc1ccc(N2C(=O)CC(c3ccccc3)C2=O)c(Cl)c1)c1ccccn1\n",
      "CC(=O)NC1CCSC1=O\n",
      "COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1\n",
      "CCCCNC(=O)C1Cc2ccccc2N1C(=O)C(N)CC\n",
      "CC(NC(=NC#N)Nc1ccncc1)C(C)(C)C\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "CC1(C)C2CC(=O)O[C@@]3(C)C4=CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CCC3[C@@]2(C)C=C[C@H]1O\n",
      "CC(N)C1CCC(C(=O)Nc2ccncc2)CC1\n",
      "OC(CCN1CCOCC1)(c1ccc(Cl)cc1)C1CCCCC1\n",
      "CO[C@H]1CC(O[C@@H]2/C(C)=C/C[C@@H]3C[C@@H](C[C@]4(CC[C@H](C)[C@@H](C5CCCCC5)O4)O3)OC(=O)[C@@H]3C=C(C)/C(=N/O)[C@H]4OC/C(=C\\C=C\\[C@@H]2C)[C@@]34O)O[C@@H](C)C1O\n",
      "CCCC1O[C@@H]2C[C@H]3[C@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1\n",
      "CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1\n",
      "NC[C@H]1O[C@H](OC2[C@@H](N)C[C@@H](N)[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O\n",
      "COc1ccc(N(C(=O)CCl)C(C(=O)NC2CCCCC2)c2cccnc2)cc1\n",
      "CS(=O)CCCCN=C=S\n",
      "O=C(c1ccc(C(F)(F)F)cc1)C(CN1CCOCC1)c1ccccc1\n",
      "CC(NCCc1ccc(O)cc1)C(O)c1ccc(O)cc1\n",
      "CC1CCCCC1NC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccccc3)nc12\n",
      "CCOc1ccccc1OCC1CNCCO1\n",
      "CN1C(CC(O)c2ccccc2)CCCC1CC(O)c1ccccc1\n",
      "CCC1NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2N1\n",
      "NC(=O)C1C(=O)C[C@@H]2C[C@@H]3Cc4cccc(O)c4C(=O)C3C(=O)[C@]2(O)C1=O\n",
      "C/C=C1\\C(=O)CC2C3CCC4=CC(=O)CC[C@@]4(C)C3CC[C@@]12C\n",
      "CC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)c1c[nH]cn1)c1ccc(C(C)(C)C)cc1\n",
      "CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(CC(=O)CO)C(=O)SCF\n",
      "CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1\n",
      "Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2C(C(=O)O)C(C)(C)S[C@@H]12\n",
      "CC12CCC3c4ccc(O)cc4CCC3C1CCC2O\n",
      "CCN1CCCC1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC\n",
      "CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I\n",
      "N#CC(c1ccnc(NCCc2cccnc2)n1)c1nc2ccccc2s1\n",
      "O=C(O)CC1N=Cc2ccccc21\n",
      "CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c56)CC4N(C)C3)(C(C)C)C(=O)N12\n",
      "CCOC1O[C@H]([C@@H](COCc2ccccc2)OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O\n",
      "CCN1C(=O)C2(NNc3ccccc3O2)c2ccccc21\n",
      "CC[C@]1(O)CC2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C=O)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1\n",
      "CCCC1O[C@@H]2CC3C4CCC5=CC(=O)C=CC5(C)C4[C@@H](O)CC3(C)[C@]2(C(=O)CO)O1\n",
      "c1ccc2c3c([nH]c2c1)[C@H]1C2CCC([C@@H]4CCCN[C@H]24)N1CC3\n",
      "O=C(Nc1ncnc2c1C(c1ccccc1)c1c(ccc3ccccc13)O2)c1ccccc1\n",
      "Cc1ccc(S(=O)(=O)NC(=O)NN2CC3CCCC3C2)cc1\n",
      "CNC(C)C(=O)NC(C(=O)N1CCCC1C(=O)Nc1ccc2[nH]ccc2c1)C(C)C\n",
      "NC(CO)C(=O)NNCc1ccc(O)c(O)c1O\n",
      "COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)C1C=COC1O2\n",
      "C=CCNC1=C2CC(C)CC(OC)C(O)C(C)/C=C(\\C)C(OC(N)=O)C(OC)/C=C/C=C(\\C)C(=O)NC(=CC1=O)C2=O\n",
      "OC(CN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1\n",
      "CSCCC(NC=O)C(=O)NC(C)C(=O)O\n",
      "CN[C@@H]1C(O[C@H]2O[C@H](CO)[C@@H](N)[C@H](O)[C@H]2O)O[C@H]2C[C@@H](N)[C@@H](O[C@@H]3[C@@H](N)C[C@@H](N)[C@H](O)[C@H]3O)OC2[C@@H]1O\n",
      "COc1ccc(C2Nc3ccccc3C(=O)N2Cc2cccnc2)cc1COc1c(C)cccc1C\n",
      "NC(=O)C1CCN(C2CC(=O)N(c3ccc(F)c(Cl)c3)C2=O)CC1\n",
      "Cc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2NC1C\n",
      "O=C1c2ccccc2NC(c2ccc(-c3ccc(C(F)(F)F)cc3)o2)N1O\n",
      "O=C(O[C@H]1[C@H](Oc2ccccc2COC(=O)C2(O)C=CCCC2=O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1ccccc1\n",
      "CCc1ccc(C(=O)COc2ccc(CC3SC(=O)NC3=O)cc2)nc1\n",
      "Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2\n",
      "O=C1Nc2cc(Cl)c(Cl)cc2N2CCNCC12\n",
      "COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)/C=C(\\C)C(O)C(OC)C(=O)C(C)CC(C)/C=C/C=C/C=C/1C\n",
      "CN1C2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1OC21\n",
      "OC(c1ccccc1)C1CCN(CCc2ccccc2)CC1\n",
      "CN/C(=N\\c1ccc(C2=NNC(=O)CC2C)cc1)NC#N\n",
      "COc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1\n",
      "CC1CC(C)C(=O)C(C(O)CC2CC(=O)NC(=O)C2)C1\n",
      "CCCCCCCCCCC1C(=O)OC(C(=O)O)C1(O)C(=O)O\n",
      "Fc1ccc(C2CCNCC2COc2ccc3c(c2)OCO3)cc1\n",
      "COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1\n",
      "C[N+]1(C)CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1\n",
      "OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1\n",
      "CC(C)CC(NC(=O)C(COC(C)(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]cn1)NC(=O)C1CCC(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCCC1C(=O)NNC(N)=O\n",
      "O=C(CNC(=O)C1CCCCC1)OC(C(=O)c1ccccc1)c1ccccc1\n",
      "C[C@]12CC(=O)C3C(CCC4=CC(=O)C=C[C@@]43C)C1CC[C@]2(O)C(=O)CO\n",
      "CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(=O)O)cc3)c(=O)n2C1c1ccc(Cl)cc1\n",
      "C/C=C(\\C)C(=O)OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O\n",
      "CC(CN)CC(=O)O\n",
      "C=CCN1CC(C(=O)N(CCCN(C)C)C(=O)NCC)CC2c3cccc4[nH]cc(c34)CC21\n",
      "CC1CN(CCCn2c3ccccc3c3ccccc32)CC(C)N1\n",
      "COC(=O)C1=C(C)N=C(C)C(C(=O)OCCN(C)Cc2ccccc2)C1c1cccc([N+](=O)[O-])c1\n",
      "COc1cc2c(cc1O)C(CCc1ccc(Cl)cc1)N(C)CC2\n",
      "COc1cc(/C=C/C(=O)N2C(=O)C=CCC2C2CCCCC2)cc(OC)c1OC\n",
      "CCC(CO)NC(=O)C1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1\n",
      "Cc1cc(Cn2cnc3c2CC(C(=O)O)N(C(=O)C(c2ccccc2)c2ccccc2)C3)ccc1N(C)C\n",
      "CCC(=O)OC1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C\n",
      "CCC(=O)OCC(=O)C1(OC(=O)CC)[C@H](C)C[C@H]2[C@H]3[C@H](Cl)CC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C\n",
      "O=C(NC1CCCc2c1cnn2-c1ccc(F)cc1F)c1cccc(O)n1\n",
      "C[C@H]1O[C@@H](OC2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C[C@H](O)[C@@H]1O\n",
      "Cc1cccc(C)c1OCC(C)N\n",
      "C[C@H](CCC(=O)O)[C@H]1CCC2C3C(=O)CC4CC(=O)CC[C@]4(C)C3CC(=O)[C@@]21C\n",
      "C=CCN1CCc2cc(O)c(O)cc2C(c2ccccc2)C1\n",
      "CC1C(=O)C(=O)[C@@H]2O[C@@H]2C1=O\n",
      "CC(=O)O[C@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)C(CCC6C5C[C@@H](O)[C@]5(C)[C@@H](C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O\n",
      "CC=CCC(C)C(O)C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1C\n",
      "CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl\n",
      "C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12\n",
      "CC(C(=O)O)c1ccc2c(c1)Cc1cccnc1O2\n",
      "CN(Cc1ccccc1)CC(O)CC(O)c1ccccc1\n",
      "CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(=O)O)cc3)c(=O)n2C1c1ccc(SC)cc1\n",
      "Nc1nc(Nc2ccccc2)nc2c1ncn2C1OC(CO)C(O)C1O\n",
      "CN1CCN2c3ncccc3Cc3ccccc3C2C1\n",
      "CCN(CC)CC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1\n",
      "CC(=O)CC(c1ccc([N+](=O)[O-])cc1)c1c(O)c2ccccc2oc1=O\n",
      "CC(C)[C@@]1(NC(=O)[C@@H]2CC3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O\n",
      "CC(C)(C)c1onc(O)c1CC(N)C(=O)O\n",
      "CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2\n",
      "Cc1nnc(SCC2=C(C(=O)O)N3C(=O)C(NC(=O)Cn4cnnn4)C3SC2)s1\n",
      "CN1C2CC(=O)CC1[C@H](O)C2\n",
      "CC(C)NCC(O)c1ccc(N)c(C#N)c1\n",
      "O=C(NCNC(=O)NC1C(=O)NC(=O)N1CO)NC1C(=O)NC(=O)N1CO\n",
      "CC1(C)O[C@@H]2CC3C4C[C@H](F)C5=CC(=O)C=CC5(C)C4C(O)CC3(C)[C@]2(C(=O)CO)O1\n",
      "O=C1Cc2cc([S+](=O)([O-])N3CCN(c4ccc(C(=O)O)cc4)CC3)ccc2N1\n",
      "CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C\n",
      "COC1(C2=NCCN2)COc2ccccc2O1\n",
      "COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2\n",
      "CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1\n",
      "CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1C(C(=O)O)C[C@@H]2CCC[C@@H]21\n",
      "CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@@H](O)C[C@@]21C\n",
      "CN1[C@H]2CC[C@@H]1CC(OC1c3ccccc3CCc3ccccc31)C2\n",
      "O=C(NCC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(N(CCO)C(=O)CO)c1I\n",
      "C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](COC3O[C@H](CO)[C@@H](OC4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)CC[C@H]1C\n",
      "C=C1/C(=C\\C=C2/CCCC3(C)C2CCC3C(C)CCCC(C)(C)O)CC(O)CC1O\n",
      "CCCCC(O)c1ccccc1\n",
      "C=C1C(=O)O[C@@H]2C3O[C@@]3(C)CC/C=C(\\C)CC[C@@H]12\n",
      "CC(CCCCC(=O)Nc1ccc(C(F)(F)F)cc1)NCCc1c[nH]cn1\n",
      "O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4C2(CCN3CC2CC2)[C@H]1O5\n",
      "Cc1cccc(C(C)c2cnc[nH]2)c1C\n",
      "COc1cc(O)c(C(CC(=O)N2CCC(C)CC2)c2ccc3c(c2)OCO3)c(OC)c1\n",
      "COc1cc(O)c(C(CC(=O)N2CC(C)OC(C)C2)c2ccc3c(c2)OCO3)c(OC)c1\n",
      "CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)CC2C3CCC4=CC(=O)C=C[C@]4(C)C3(F)[C@@H](O)C[C@@]21C\n",
      "CNc1cc(OC)c(C(=O)NC2CCN(Cc3ccccc3)C2C)cc1Cl\n",
      "O=P1(NCCCl)OCCCN1CCCl\n",
      "O=C(O)C1C2CCC(O2)C1C(=O)NCCc1ccccc1\n",
      "NC(=O)c1ncn(C2OC(COP(=O)(O)O)C(O)C2O)c1N\n",
      "O=C(O)C=C1CCCc2ccccc2C1O\n",
      "CCCCC[C@H](O)CC[C@@H]1C2Cc3cccc(C)c3CC2C[C@H]1O\n",
      "CC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@@]21C\n",
      "CCOC(=O)C1(CCCCCCOc2ccc(Cl)cc2)CO1\n",
      "CC(O)[C@H](O)C1CNc2nc(N)[nH]c(=O)c2N1\n",
      "CCCCCC[C@H]1C(=O)O[C@H](C)C(NC(=O)c2cccc(NC=O)c2O)C(=O)O[C@@H](C)[C@@H]1OC(=O)CC(C)C\n",
      "CC(=O)NC1=NN(C(C)=O)C(C)(c2ccccc2)S1\n",
      "CC(COc1ccccc1)N(CCCl)Cc1ccccc1\n",
      "CCN(CC)CCOC(=O)C(Cc1cccc2ccccc12)CC1CCCO1\n",
      "CO/N=C(/C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(C)=O)CSC12)c1csc(N)n1\n",
      "COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3OC1CC(N)C(O)C(C)O1\n",
      "COc1ccc(C2CC(=O)c3ccc(OC)cc3O2)cc1\n",
      "Cc1ccc(C(O)(c2ccc(C)c(C)c2)C2CN3CCC2CC3)cc1C\n",
      "O=C(NC1CCCCC1)C(c1cccnc1)N(C(=O)CCl)c1cccc(Cl)c1\n",
      "C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6COC(=O)C6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O\n",
      "CC1=CCC2[C@@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CCc1ccoc1\n",
      "CCCCCC(O)c1cccc(OCc2ccc3ccccc3n2)c1\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "CC1NC(=O)NC1=O\n",
      "COCC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NC(C)(C)C)c1cccnc1\n",
      "COc1cc(C(=O)NC2CCCNC2)cc(OC)c1OC\n",
      "CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccccc34)C21\n",
      "C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4CC5SC5C[C@@]43C)[C@@H]1CC[C@@H]2O\n",
      "CN1/C(=N\\P(=O)(Oc2ccccc2)Oc2ccccc2)CC(c2ccc(CO)cc2)=CC1C1CC1\n",
      "CN(C)CCC(c1ccc(Br)cc1)c1ccccn1\n",
      "COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)C(C)CC(=O)N2C\n",
      "O=C1c2ccccc2NC(c2ccc(-c3cccs3)o2)N1O\n",
      "CN1CCCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1\n",
      "COc1ccc2c(c1)C(C)(CCN)C(=O)N2C\n",
      "CC(C=Cc1cccc(Oc2ccc(F)cc2)c1)N(O)C(N)=O\n",
      "CC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)NC(C(=O)OC(C)(C)C)c1ccccc1\n",
      "C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)C4C(CC[C@]3(O)C2)[C@@]2(O)CC[C@H](C3=CC(=O)OC3)[C@@]2(C)C[C@H]4O)[C@H](O)[C@H](O)[C@H]1O\n",
      "COc1cccc(NC(=S)N=S(C)(=O)c2ccccc2)c1\n",
      "c1nc(NCC2CCCOC2)c2cc(-c3ccc4c(c3)OCO4)ccc2n1\n",
      "CCC(NC(=O)C(C)NC)C(=O)N1CCCC1C(=O)NC1CCCc2ccccc21\n",
      "CN1CCN(CC(O)COCCC23CC4CC(CC(C4)C2)C3)CC1\n",
      "CC(N)C(=O)NC(C(=O)N1CCCC1C(=O)NC(c1ccccc1)c1ccccc1)C(C)C\n",
      "CC(Cc1ccc(O)c(O)c1)(NN)C(=O)O\n",
      "C=CC(C)(O)CCC1OCC1C(=O)O[C@@H]1C(C)O[C@@H](O[C@](C)(C=C)CC/C=C(\\CO)C(=O)O[C@H]2C[C@@]3(C(=O)O[C@@H]4OC(CO)[C@@H](O)[C@@H](O)[C@@H]4O[C@@H]4OC(C)[C@H](O[C@@H]5O[C@@H](CO)[C@H](O)[C@@H]5O)[C@@H](O[C@@H]5OC(CO)[C@@H](O)[C@@H](O)[C@@H]5O)[C@@H]4O)C(CC2(C)C)C2=CCC4[C@@]5(C)CC[C@H](O[C@@H]6OC(CO[C@@H]7OC(C)[C@H](O)[C@@H](O)[C@@H]7O[C@@H]7OC[C@@H](O)[C@@H](O)[C@@H]7O)[C@@H](O)[C@@H](O)[C@@H]6NC(C)=O)C(C)(C)C5CC[C@@]4(C)[C@]2(C)C[C@H]3O)[C@@H](O)[C@@H]1O\n",
      "COc1ccc(C2Sc3ccccc3N(CCN(C)C)C(=O)C2OC(C)=O)cc1\n",
      "CC1CCc2cc(F)cc3c(=O)c(C(=O)O)cn1c23\n",
      "C/C=C/CC(C)C(O)C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1C\n",
      "CC(CC(C(N)=O)(c1ccccc1)c1ccccc1)N(C)C\n",
      "COC(=O)C1C(C)=NC(C)=C(C(=O)OC(C)C)C1c1cccc2nonc12\n",
      "C[C@@H]1CC2C3CCC4=CC(=O)C=CC4(C)[C@]3(F)[C@@H](O)CC2(C)[C@]1(O)C(=O)CO\n",
      "CC(C)CC1C(=O)N2CCCC2C2(O)OC(NC(=O)C3C=C4c5cccc6[nH]c(Br)c(c56)CC4N(C)C3)(C(C)C)C(=O)N12\n",
      "Cc1ncc([N+](=O)[O-])n1CC(C)O\n",
      "C=CC(C)(O)CC/C=C(\\CO)C(=O)O[C@@H]1C(C)O[C@@H](O[C@](C)(C=C)CC/C=C(\\CO)C(=O)O[C@H]2C[C@@]3(C(=O)O[C@@H]4OC(CO)[C@@H](O)[C@@H](O)[C@@H]4O[C@@H]4OC(C)[C@H](O[C@@H]5O[C@@H](CO)[C@H](O)[C@@H]5O)[C@@H](O[C@@H]5OC(CO)[C@@H](O)[C@@H](O)[C@@H]5O)[C@@H]4O)C(CC2(C)C)C2=C[C@@H](O)C4[C@@]5(C)CC[C@H](O[C@@H]6OC(CO[C@@H]7OC(C)[C@H](O)[C@@H](O)[C@@H]7O[C@@H]7OC[C@@H](O)[C@@H](O)[C@@H]7O)[C@@H](O)[C@@H](O)[C@@H]6NC(C)=O)C(C)(C)C5CC[C@@]4(C)[C@]2(C)C[C@H]3O)[C@@H](O)[C@@H]1O\n",
      "CCCC1C(=O)N2C(N(C)C)=Nc3ccc(C)cc3N2C1=O\n",
      "CC(C(=O)OC1CC2CCC(C1)N2C)c1ccc(Br)cc1\n",
      "Cc1cc(C)n(CC(=O)NC2CCCc3c2cnn3-c2ccc(C)c(C)c2)n1\n",
      "CCCCn1c(=O)c2[nH]c(C34CC5CC(CC3C5)C4)nc2n(CCCO)c1=O\n",
      "C=CC1(C)CC(=O)C2(O)C(C)(O1)C(OC(C)=O)C(O)C1C(C)(C)CCC(O)C12C\n",
      "C=CCN1CC[C@]23c4c5ccc(O)c4OC2C(=O)CC[C@@]3(O)[C@H]1C5\n",
      "CCCNC(C)C(=O)Nc1c(C)csc1C(=O)OC\n",
      "COC(=O)C1=CC(CCCO)=CC(c2ccc(CN3CCCC3)cc2)N(Cc2cc3c(cc2Br)OCO3)C=C1C(=O)OC\n",
      "CCCCCC1OC2=C(C(=O)N(OC)C2CSCC(O)C(=O)O)C(O)C1(C)O\n",
      "Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1\n",
      "CC1(C)C=Cc2cc3c(cc2O1)[N+]([O-])=C1C3=CC23NC(=O)C4(CCCN4C2=O)CC3C1(C)C\n",
      "CC1CN(c2nc3ccccc3nc2SCC(=O)Nc2ccccc2)CC(C)O1\n",
      "COc1ccc(C2CC(c3cccc(OC)c3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1\n",
      "CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1\n",
      "C/C(=C(/CCO)SSCC1CCCO1)N(C=O)Cc1cnc(C)nc1N\n",
      "CC1CC/C=C\\[C@H]2OC34C=CCN(C(C)(C)C)C(=O)[C@H]3N(CCCO)C(=O)[C@@H]4C2C(=O)O1\n",
      "COc1cc2c(cc1O)C1Cc3ccc(O)c(OC)c3CN1CC2\n",
      "CCCCN1CCCC1CNC(=O)c1cc(C#N)c2ccccc2c1OC\n",
      "CCc1sc(N2C(=O)C3C4CCC(C4=C(C)C)C3C2=O)nc1-c1ccccc1\n",
      "CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](OC2CC(N)C(O)C(C)O2)C1)C(=O)c1ccccc1C3=O\n",
      "COC1CC(O[C@H]2CC[C@]3(C=O)C4CC[C@]5(C)C(C6=CC(=O)OC6)CC[C@]5(O)C4CC[C@]3(O)C2)OC(C)C1O\n",
      "O=C(O)CCC(NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)O\n",
      "Cc1cc(C)c2c(c1)NC(c1cc3c(cc1Br)OCO3)C1CC=CC21\n",
      "COC(=O)C1C2CC3c4[nH]c5cc(OC)ccc5c4CCN3CC2CC(OC(=O)c2cc(OC)c(OC)c(OC)c2)C1OC\n",
      "CC(C)C(C(=O)O)N1C(=O)/C(=C/c2ccccc2)SC1=S\n",
      "CCC(C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)C21\n",
      "COP(=O)(OC)OC(c1ccc(Cl)cc1)P(=O)(OC)OC\n",
      "COc1cc(C(O)CNC(C)C)cc(F)c1OC\n",
      "COCC(=O)Nc1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)N(C)CC(O)CO)c1I\n",
      "CN(C)[C@@H]1C(=O)C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3C(=O)c4c(O)ccc(Cl)c4[C@@H](O)[C@@H]3C[C@@H]12\n",
      "CCC(=O)C1(Sc2nc3ccccc3[nH]2)CC(C)(C)OC1=O\n",
      "COc1ccc(N(C(=O)CCl)C(C(=O)NCCc2ccccc2)c2cccs2)cc1\n",
      "CC(C)(C)C(O)/C=C/c1ccc2c(c1)OCO2\n",
      "O=C1NCN(c2ccccc2)C12CCN(CC1COc3ccccc3O1)CC2\n",
      "CCOC(=O)NCC(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)NC(C)=CC(=O)c1ccc(C(F)(F)F)cc1\n",
      "COc1ccc(CCCOC(Cn2ccnc2)c2ccc(OC)cc2)cc1\n",
      "CC[C@@H](C(=O)C(C)[C@@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)O)C1OC(CC)(C2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C\n",
      "C[C@@H]1[C@H]2C3=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC[C@H]1C\n",
      "CC1CN(c2nc3ccccc3nc2SCC(=O)NCCc2ccccc2)CC(C)O1\n",
      "CC(C(=O)O)c1ccc(C(=O)c2ccccc2)s1\n",
      "CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1\n",
      "CC(CO)NC(=O)C1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1\n",
      "C/C=C\\C=C/C1OC(O)(C(CC)C(=O)NC/C=C\\C=C(\\C)C(OC)C(C)C2OC(/C=C\\C=C/C=C(/C)C(=O)c3c(O)cc[nH]c3=O)C(O)C2O)C(O)C(O)C1(C)C\n",
      "NC(CCC(=O)O)C(=O)N1CCC[C@H]1B(O)O\n",
      "C=C1CC2C(CC[C@]3(C)C(=O)CCC23)[C@@]2(C)C=CC(=O)C=C12\n",
      "CC1CCCN(C(C(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2)C1\n",
      "COc1cccc2cc(C(=O)C3C(=O)C(=O)N(c4nc(C)c(C)s4)C3c3ccco3)oc12\n",
      "CC(CCC(=O)NCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C\n",
      "NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21\n",
      "Cc1c2oc3c(C)ccc(C(=O)OC(C)C4NC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C5CCCN5C(=O)C(C(C)C)NC4=O)c3nc-2c(C(=O)OC(C)C2NC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C3CCCN3C(=O)C(C(C)C)NC2=O)c(N)c1=O\n",
      "OC[C@H]1O[C@@H](n2cnc3c(N[C@H]4CCC[C@@H]4O)ncnc32)[C@@H](O)C1O\n",
      "CCC(C)(C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)c1ccccn1\n",
      "CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1\n",
      "CCC(CO)NCCNC(CC)CO\n",
      "CNC(C)C(=O)NC(C(=O)N1CCCC1C(=O)Nc1ccc2ncccc2c1)C(C)C\n",
      "NC(Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O\n",
      "CCc1cccc2c3c([nH]c12)C(CC)(CC(=O)O)OCC3\n",
      "COC(Cc1nc2ccccc2s1)C(=O)O\n",
      "CC(c1ccc(O)cn1)C(C)C(N)C(=O)NC(C(=O)O)[C@H]1O[C@@H](N2C=CC(=O)CC2=O)[C@@H](O)[C@H]1O\n",
      "OC[C@H]1O[C@@H](n2cnc3cc(Cl)c(Cl)cc32)C(O)[C@H]1O\n",
      "Oc1ccc(C2COc3cc(O)ccc3C2)cc1\n",
      "CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2\n",
      "COc1c(N2CCNC(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12\n",
      "CC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC2(C)[C@]1(C)O\n",
      "OC1c2c(F)cccc2N=C2CCCCCN21\n",
      "COc1cc2c(cc1OC)C(C)NCC2\n",
      "C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6C[C@@H](O)[C@]7(C)C(C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O\n",
      "C[C@]12C[C@H](O)C3C(CCC4=CC(=O)CC[C@@]43C)C1CC[C@]2(O)C(=O)CO\n",
      "N=c1c2c(ccn1Cc1ccccc1)Oc1ccc3ccccc3c1C2c1ccccc1\n",
      "CN(C)C1C(=O)C(C(N)=O)C(=O)C2(O)C(=O)C3C(=O)c4c(O)ccc(Cl)c4C(O)C3CC12\n",
      "CC(=O)OCC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@@]21C\n",
      "COCC1OC(=O)c2coc3c2C1(C)C1=C(C3=O)C2CCC(=O)C2(C)CC1OC(C)=O\n",
      "COC1=CC(=O)OC(/C=C/c2ccccc2)C1\n",
      "C[C@@H]1CCC2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)CN([C@@H](CCC(=O)O)C(=O)O)C3=O\n",
      "CC(C)C(NS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1)C(=O)O\n",
      "CC(N)C12CC3CC(CC(C3)C1)C2\n",
      "CCOC(=O)C1=C(C)N=c2s/c(=C\\c3cc(Br)c(O)c(Br)c3)c(=O)n2C1c1ccc2c(c1)OCO2\n",
      "Cc1cc(NC(=O)C2C(=O)c3ccccc3S(=O)(=O)N2C)no1\n",
      "O=C(NC1CCCc2c1cnn2-c1ccc(F)cc1F)c1ccccc1\n",
      "CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1\n",
      "C=C(C)CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccccc4c2C[C@@]3(O)C1C5\n",
      "CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21\n",
      "Nc1nc(=O)c2c([nH]1)NCC(CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2C=O\n",
      "Cc1ccnc(NC(c2ccc(Cl)cc2)c2c(C)[nH]c3ccccc23)c1\n",
      "COc1ccc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]2(C)CCc3cc(OC)c(OC)cc3C2Cc2ccc(OC)c(OC)c2)cc1OC\n",
      "CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1\n",
      "CC1(C)Oc2ccc(C#N)cc2C(N2CCCC2=O)C1O\n",
      "CN(C)[C@@H]1C(=O)C(C(=O)NCNC(CCCCN)C(=O)O)C(=O)[C@@]2(O)C(=O)C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@@H]3C[C@@H]12\n",
      "CCCCCCC(=O)CCCCCC/C=C/C[C@H](O)[C@@H](O)C(N)(CO)C(=O)O\n",
      "Cc1ccc(NC(=O)C2CC3CCC2C3)cc1\n",
      "Cc1ccc(N(C(=O)CCl)C(C(=O)NC2CCCCC2)c2cccnc2)cc1C\n",
      "CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(C(=O)OC)C5(CC)C=CCN6CCC43C65)C2)C1\n",
      "CCN1CCN(c2nc3ccccc3nc2C(C#N)C(=O)OC2CCCCC2)CC1\n",
      "COc1ccccc1CN1CC(C(=O)O)CC1=O\n",
      "COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1\n",
      "CC(C)(O)C(O)COc1c2occc2cc2ccc(=O)oc12\n",
      "S=C(S)OC1CC2CC1C1CCCC21\n",
      "CCCC[C@@H](C)/C=C(C)/C=C(\\C)C(=O)NC1=C[C@@](O)(/C=C/C=C/C=C/C(=O)NC2C(=O)CCC2=O)[C@@H]2OC2C1=O\n",
      "CN(C)CCOC(=O)C(c1ccccc1)C1(O)CCCC1\n",
      "O=C(C=Cc1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl\n",
      "CCCCCCCCCCCCCCCC(=O)C1C(=O)OC(CO)C1=O\n",
      "O=C(c1ccc(F)cc1)C(CN1CCOCC1)c1ccccc1\n",
      "CCCCCCCCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C\n",
      "COC1OC(=O)C(CCC2(C)C(C)CCC3(C)C2CC(O)C(O)C32CO2)C1O\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "N/N=C1\\N=NC=C2C=CC=CC21\n",
      "CC1(C)O[C@@H]2CC3C4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1\n",
      "CC[C@H]1CN2CCC1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12\n",
      "CN1C2CC[C@@H]1C[C@@H](OC(=O)[C@H](CO)c1ccccc1)C2\n",
      "CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1\n",
      "COc1c(O)c2c(=O)cc3c4c5c(cc(O)c6c(=O)c(OC)c(CC(C)O)c(c(c1CC(C)O)c24)c65)OCO3\n",
      "CCOC(=O)C1=C(C)NC(=S)NC1c1cccc(O)c1\n",
      "C[C@]12C[C@H](O)C3C(CCC4=CC(=O)C=C[C@@]43C)C1CC[C@]2(O)C(=O)COC(=O)CCC(=O)O\n",
      "CN1CCOC(c2ccccc2)c2ccccc2C1\n",
      "COCC#CC1c2cc(O)c(OC)cc2CCN1Cc1ccc([N+](=O)[O-])o1\n",
      "Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2\n",
      "C=C1CCC(O)C/C1=C/C=C1\\CCCC2(C)C1CCC2C(C)CCCC(C)(C)O\n",
      "CN1[C@H]2CC[C@@H]1CC(OC(=O)C1C=Nc3ccccc31)C2\n",
      "CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@@H]1OC(=O)C(=O)C1O\n",
      "CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](N)C2SC1\n",
      "Retry on CCP(CC)(CC)=[Au]SC1CC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O\n",
      "Retry on CCP(CC)(CC)=[Au]SC1CC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O\n",
      "Retry on CCP(CC)(CC)=[Au]SC1CC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O\n",
      "Retry on CCP(CC)(CC)=[Au]SC1CC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O\n",
      "Retry on CCP(CC)(CC)=[Au]SC1CC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O\n",
      "CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12\n",
      "CCN(Cc1ccncc1)C(=O)C(CO)c1ccccc1\n",
      "COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)/C=C(\\C)C(O)C(OC)C(=O)C(C)CC(C)/C=C/C=C/C=C/1C\n",
      "CC12CC3CC(C)(C1)CC(N)(C3)C2\n",
      "O=c1[nH]c(=O)n(C2CCCO2)cc1F\n",
      "COc1ccc(OC)c(C(O)CNC(=O)CN)c1\n",
      "NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NC(Cc1ccccc1)NS2(=O)=O\n",
      "CC(C)CC1C(=O)N2CCC[C@H]2C2(O)O[C@](NC(=O)C3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12\n",
      "CCN(CC)CCCC(C)Nc1nc(C)cc(Nc2ccc3nc(C)cc(N)c3c2)n1\n",
      "NC(C(=O)O)c1ccc(C(=O)O)c(O)c1\n",
      "Cc1ccc(C2CC(c3ccccc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1\n",
      "CC(=O)O[C@@H]1[C@H](c2ccc(=O)oc2)C2[C@H](C)C[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@]23O[C@H]13\n",
      "C[C@H](NC(=O)CCC1CCC(=O)N1)c1ccccc1\n",
      "CC(=O)OC1CN2CCC1CC2\n",
      "O=C(O)C(=O)C(C(=O)O)C(O)C(=O)O\n",
      "O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1F\n",
      "CC(C)CC(NC(=O)N1CCCCCC1)C(=O)NC(Cc1cn(C)c2ccccc12)C(=O)NC(Cc1ccccn1)C(=O)O\n",
      "CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)C(CC=C(C)C)C(=O)[C@@]1(C(=O)C(C)C)C2=O\n",
      "CCCCC(O)(c1ccc(F)cc1)C(CN1CCOCC1)c1ccc(Cl)cc1\n",
      "NC1=NC(=O)C(c2ccccc2)O1\n",
      "CC1(C)S[C@H]2[C@H](NC(=O)C(C(=O)O)c3ccsc3)C(=O)N2[C@H]1C(=O)O\n",
      "Clc1ccc(C(OCCN2CCCCC2)c2ccccc2)cc1\n",
      "CCCCCCCCCCCCCCCC(=O)OCC(O)CO\n",
      "CCCCN1C(=O)c2ccccc2NC1c1ccc(OC)c(COc2ccc(NC(C)=O)cc2)c1\n",
      "CN(C(Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(c2ccccc2)CC1)S(=O)(=O)c1cccc2cnccc12\n",
      "C[N+]1(C)CCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)C1\n",
      "C=C1C(=O)O[C@H]2C1[C@H](OC(=O)/C(=C/CO)COC(=O)/C(C)=C/CO)CC(=C)[C@@H]1CC(=O)[C@@H](C)[C@@H]12\n",
      "Cc1cccc(NC(=O)C2CC3CCC2C3)c1C\n",
      "c1nc(NCC2CCOC2)c2cc(-c3ccc4c(c3)OCO4)ccc2n1\n",
      "O=S(=O)(NC1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1)c1c(F)cccc1F\n",
      "NS(=O)(=O)c1ccc(N2N=C(c3ccccc3)CC2c2ccc(Br)cc2)cc1\n",
      "COc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccncc2)cc1COc1ccc(NC(C)=O)cc1\n",
      "COc1ccc(/C(C)=N/N2C(=O)c3ccccc3NC2c2ccccc2O)cc1\n",
      "CCC1/C=C/C=C/C[C@H](C)[C@@H](O)[C@](C)(O)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C(=O)OC2[C@@H](C)C(CC1)OC1(CC[C@@H](C)C(C[C@H](C)O)O1)[C@@H]2C\n",
      "CCC(C)(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C21\n",
      "CCN(CC)CCOC1CCC2(C)C(=CCC3C4CCC(=O)C4(C)CCC32)C1\n",
      "CCNC(=O)C1OC(n2cnc3c(N)nc(NCCc4ccc(CCC(=O)O)cc4)nc32)C(O)C1O\n",
      "CO[C@H]1C2OP(=O)(O)OC[C@H]2O[C@H]1n1c(Sc2ccc(Cl)cc2)nc2c(N)ncnc21\n",
      "NS(=O)(=O)c1ccc(N2N=C(c3ccccc3)CC2c2cccc(Br)c2)cc1\n",
      "CCOC(=O)CCC(=O)Nc1ncnc2c1C(c1ccccc1)c1c(ccc3ccccc13)O2\n",
      "CCCC1OC2CC3C4CCC5=CC(=O)C=CC5(C)C4C(O)CC3(C)C2(C(=O)CO)O1\n",
      "CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC(O)CC(O)CC(=O)O\n",
      "CCOC(=O)CN1C(=O)CC(C[C@@H](O)C2C[C@@H](C)C[C@H](C)C2=O)CC1=O\n",
      "Nc1nc(Cl)nc2c1ncn2C1OC(CO)C(O)C1F\n",
      "Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1\n",
      "CN(Cc1ccccc1)C(=O)C(Cc1ccc2ccccc2c1)NC(=O)C1CCCN1C(=O)Nc1ccccc1[N+](=O)[O-]\n",
      "Cc1ccccc1OCC1CN(CN2CCC(C)CC2)C(=O)O1\n",
      "Oc1ccc2c3c1OC1c4[nH]c5ccccc5c4CC4(O)C(C2)N(CC2CC2)CCC314\n",
      "Cc1c(C)c2c(c(C)c1O)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2\n",
      "CCOC(=O)C1=C(C)N=c2s/c(=C\\c3cc(Cl)c(OCC(=O)O)c(Cl)c3)c(=O)n2C1c1cccc(OC)c1\n",
      "O=Cc1ccc(N2CCN([S+](=O)([O-])c3ccc4c(c3)CC(=O)N4)CC2)cc1\n",
      "NCCC(O)C(=O)N[C@@H]1C[C@H](N)[C@@H](OC2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2N)[C@H](OC2O[C@H](CO)C(O)[C@H]2O)[C@H]1O\n",
      "CC(C)(C)NC(=O)[C@H]1CCC2C3CCC4NC(=O)C=C[C@]4(C)C3CC[C@@]21C\n",
      "O=C(c1cccc(F)c1)C(CN1CCOCC1)c1ccccc1\n",
      "C[C@]12CC[C@@H]3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)[C@H]3[C@@H]1CC[C@@H]2O\n",
      "Brc1cc2c(cc1C1Nc3ccccc3C3C=CCC31)OCO2\n",
      "Oc1ccc2c(c1)OCC1(O)Cc3cc(O)c(O)cc3C21\n",
      "CN(Cc1ccccc1)C(=O)C1CCCN(Cc2cccc(Cl)c2)C1\n",
      "CC(C)=CC1C(C(=O)OCc2coc(Cc3ccccc3)c2)C1(C)C\n",
      "CCS(=O)(=O)N(C)C1c2cc(C#N)ccc2OC(C)(C)C1O\n",
      "c1nc(NCC2CCCCO2)c2cc(-c3ccc4c(c3)OCO4)ccc2n1\n",
      "CCC(C)(C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)c1ccccn1\n",
      "O=C1CCC2(O)C3Cc4ccc(O)c5c4C2(CCN3CC2CC2)C1O5\n",
      "CN1C2CCC1CC(OC(=O)c1c[nH]c3ccccc13)C2\n",
      "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C\n",
      "CCC1(c2ccccc2)NC(=O)N(C)C1=O\n",
      "O=S(=O)(NC1CCN(S(=O)(=O)c2c(F)cccc2F)C1)c1ccc2c(c1)OCCO2\n",
      "CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1\n",
      "CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1\n",
      "CSc1sc(C(=O)NN)c2c1C(O)CCC2\n",
      "CS(=O)(=O)CCOC(=O)C1=CC(CCCO)=CC(c2ccc(CN3CCCC3)cc2)N(Cc2cccc(OC(F)(F)F)c2)C=C1C(=O)OCCS(C)(=O)=O\n",
      "CC(=O)OC1C([N+]2(C)CCCCC2)C[C@H]2C3CC[C@H]4C[C@H](OC(C)=O)C([N+]5(C)CCCCC5)CC4(C)[C@H]3CCC12C\n",
      "Cc1cnc(NC(=O)C2C(=O)c3ccccc3S(=O)(=O)N2C)s1\n",
      "NCC(CC(=O)O)c1ccc(Cl)cc1\n",
      "CC(=O)O[C@H]1C(=O)[C@@]2(C)C([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](O)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O\n",
      "COc1ccc2c(c1)CCC1C2CCC2(C)C1C[C@@H](O)C2O\n",
      "CC(=O)N(C)CC#CCN1CCCC(CO)C1\n",
      "CC(N)[C@]12C[C@H]3C[C@@H](C[C@H](C3)C1)C2\n",
      "C=C1/C(=C\\C=C2\\CCC[C@]3(C)C2CCC3C(C)CCCC(C)(C)O)CC(O)C[C@@H]1O\n",
      "CCOC(=O)c1ncn2c1C1CCCN1C(=O)c1cc(OC)ccc1-2\n",
      "Cc1cc(C)cc(C(=O)OC2CC3CCC(C2)N3C)c1\n",
      "O=C(NC1CCCc2c1cnn2-c1ccc(F)cc1F)c1cccs1\n",
      "COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)C)C1c1ccccc1[N+](=O)[O-]\n",
      "Cc1cc(NC(=O)CS(=O)c2cn(Cc3cccc(Cl)c3)c3ccccc23)no1\n",
      "CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2\n",
      "O=C1C(=O)C(C2CCC(c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21\n",
      "CNCC(O)c1cc(F)c(OCc2ccccc2)c(OCc2ccccc2)c1F\n",
      "CC1(C)SC2C(NC(=O)COc3ccccc3)C(=O)N2C1C(=O)O\n",
      "O=C1Nc2ccc(Br)cc2C12NNc1ccccc1O2\n",
      "O=C(O)/C=C1\\CCCc2ccccc2C1O\n",
      "OCC1OC(n2cnc3c(NC4CCCC4)ncnc32)C(O)C1O\n",
      "CCCN1CCCC2Cc3n[nH]cc3CC21\n",
      "S=C(NC1CCCCC1)N1CCC(C2C=NC=N2)CC1\n",
      "CS(=O)(=O)c1ccc(Cn2c3c(c4cc(F)cc(F)c42)CCCC3CC(=O)O)cc1\n",
      "CN1C2CCC1CC(OC(=O)c1cc(Cl)cc(Cl)c1)C2\n",
      "CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1\n",
      "N#CN1CCC(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)C1\n",
      "ClC1=C(Cl)C2(Cl)C3C4CC(C5OC45)C3C1(Cl)C2(Cl)Cl\n",
      "CN1C(=O)C23CC4(C56CC78SSC(CO)(C(=O)N7C5Nc5ccccc56)N(C)C8=O)c5ccccc5NC4N2C(=O)C1(CO)SS3\n",
      "O=C(Cc1ccccc1)Nc1ncnc2c1C(c1ccccc1)c1c(ccc3ccccc13)O2\n",
      "CC(C(=O)O)c1ccc(-c2ccccc2)c(F)c1\n",
      "CC=C1C(=O)CC2C3CCC4=CC(=O)CCC4(C)C3CCC12C\n",
      "COc1cccc(C2c3c(ncn(-c4ccccc4)c3=N)Oc3ccc4ccccc4c32)c1OC\n",
      "Cc1cccc(C2CC(c3ccccc3)=NN2c2ccc(S(N)(=O)=O)cc2)c1\n",
      "Cc1cc(C(=O)O)sc1C(N)C(=O)O\n",
      "CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21\n",
      "O=C(Nc1ccccc1)NC(Cc1ccccc1)Cn1cc(CN2C(=O)COCC2c2ccccc2)nn1\n",
      "COCC1=C(C(=O)OC(C)OC(=O)OC(C)C)N2C(=O)[C@@H](NC(=O)/C(=N/OC)c3csc(N)n3)[C@H]2SC1\n",
      "COC(=O)C1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12\n",
      "CC(C)OCCCNC(=O)c1ccc(C2SCC(=O)N2Cc2ccco2)cc1\n",
      "NC(=O)N1C(=O)C(C(=O)c2cccs2)c2cc(Cl)ccc21\n",
      "CC(C)(C)NCC(O)COc1cccc2c1C[C@H](O)[C@H](O)C2\n",
      "CC(C)NCC(O)c1ccc2ccccc2c1\n",
      "COc1ccc2cc(C(C)C(=O)O)ccc2c1\n",
      "CCNC(=O)CCC/C=C\\CC1C(O)CC(O)[C@@H]1/C=C/C(O)CCc1ccccc1\n",
      "Cc1cc(Cl)ccc1OC(C)C(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1\n",
      "CC12CCC3C(=CCc4cc(O)ccc43)C1CCC2=O\n",
      "CC(C)(C)NCC(O)c1ccc(O)c(CO)c1\n",
      "CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34C1[C@]1(OCO[C@@]15C[C@H](OC)[C@H]1C[C@@H]3[C@@H]5[C@H]1OC)[C@@H](O)[C@H]24\n",
      "CCn1cc(C(C)NC(=S)Nc2cccc([N+](=O)[O-])c2)c(C)n1\n",
      "CC1(C)C(=O)C=C[C@@]2(C)C1C(=O)C(=O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@H](c3ccoc3)C[C@H]3O[C@]321\n",
      "CC1c2cccc(O)c2C(=O)C2C(=O)C3(O)C(=O)C(C(N)=O)C(=O)C(N(C)C)C3C(O)C21\n",
      "Cc1cc(C)n(CC(=O)N2CCCC(C(=O)c3cccc(OC(C)C)c3)C2)n1\n",
      "O=C1c2ccccc2S(=O)N1c1cccc(F)c1\n",
      "COc1ccc(C2Nc3cccc(O)c3C(=O)N2Cc2ccccc2)cc1COc1ccc(NC(C)=O)cc1\n",
      "O=C(Nc1cccs1)N1CCN(C(=O)C2CCCO2)CC1\n",
      "CC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)c1cccs1)c1ccc(C(C)(C)C)cc1\n",
      "CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1\n",
      "O=C(O)CCC=CCC1COC(c2ccccc2Cl)OC1c1ccccc1O\n",
      "NC(=O)N1C(=O)C2C(C1=O)C1C=C(CCCO)C2C(c2ccc(CN3CCCC3)cc2)N1Cc1cccc(OC(F)(F)F)c1\n",
      "CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3\n",
      "O=C1C2CC=CCC2C(=O)N1c1nc(-c2ccccc2)n[nH]1\n",
      "CC12CCC(O)CC1CCC1C2[C@H](O)CC2(C)C(C3=CC(=O)OC3)CCC12O\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "COc1cccc(C2c3c(ncn(-c4ccccc4)c3=N)Oc3ccc4ccccc4c32)c1\n",
      "OC(c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C1CCCCN1\n",
      "C[C@H](NC[C@H](O)CP(=O)(O)Cc1ccccc1)c1ccc(Cl)c(Cl)c1\n",
      "NC(=O)N1C(=O)C2C(C1=O)C1C=C(c3ccc(CO)cc3)C2C(C2CC2)N1Cc1sc2ccccc2c1Cl\n",
      "CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@H](C)CC2C3C([C@@H](O)C[C@@]21C)[C@@]1(C)C=CC(=O)C=C1C[C@H]3Cl\n",
      "CC1(C)CC1C(=O)NC(=CCCCCSCC(N)C(=O)O)C(=O)O\n",
      "CC1CN(CC(=O)Nc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)CC(C)O1\n",
      "CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3C1CCC2O\n",
      "COc1ccccc1OCC(O)CO\n",
      "O=C1OC(c2ccccc2)C(c2ccccc2)N2C1C(C(=O)NCC(O)c1ccccc1)C1(C(=O)Nc3ccc(C#CC4=CCCCC4)cc31)C2c1ccccc1OCCO\n",
      "COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc2nonc12\n",
      "CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1\n",
      "C[C@]12CCC3c4ccc(O)cc4CCC3C1CC[C@@H]2OC(=O)CCC1CCCC1\n",
      "Cc1cc(=O)c2c(O)c3c(cc2o1)OCC(C)CC3\n",
      "NCC(O)c1ccc(O)c(O)c1\n",
      "CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12\n",
      "O=C(O)CCC/C=C\\CC1C2CCC(O2)C1CNNC(=O)Nc1ccccc1\n",
      "CNC(=Nc1ccc(C2=NNC(=O)CC2C)cc1)NC#N\n",
      "CN1C2CC3C[C@H]1C(O3)C2O\n",
      "CC(=O)OCC(=O)[C@@]1(O)[C@@H](C)CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C\n",
      "CC1(C)O[C@@H]2CC3C4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1\n",
      "C#C[C@]1(O)CCC2C3CCC4=Cc5oncc5C[C@]4(C)C3CC[C@@]21C\n",
      "CCCC1CC2=CC(=O)CCC2(C)C2CCC3(C)C(CCC3(O)CCC(=O)O)C12\n",
      "CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C\n",
      "Oc1ccc2c3c1OC1[C@@H](O)CC[C@@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@]314\n",
      "Cc1cccc(C)c1NC(=O)C(C)N\n",
      "O=C1CCCC2C3CC(CN12)[C@@H]1CCCCN1C3\n",
      "CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1\n",
      "OC(COc1cccc2cccnc12)Cn1c2ccccc2c2ccccc21\n",
      "CN1[C@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21\n",
      "CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNCC(O)COc3ccc(O)cc3)cc2)cc1\n",
      "C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)C6CC[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)C6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O\n",
      "O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1\n",
      "O=C(c1ccc(F)cc1)C(CN1CCCCC1)c1ccccc1\n",
      "CC(=O)OCC(=O)[C@@]1(O)[C@H](C)CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C\n",
      "O=C(C(O)c1ccc(Br)cc1)N1CCC(Nc2ccc3[nH]ncc3c2)CC1\n",
      "OC(Cc1ccncc1)C(Cl)(Cl)Cl\n",
      "Cc1cccc(C)c1OCc1cccc(C2Nc3ccccc3C(=O)N2Cc2ccco2)c1\n",
      "COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C(CN2CCCC2)C1\n",
      "O=C(CS(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])Oc1ccc(Cl)cc1\n",
      "CC(OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C(=O)NC1C2CC3CC(C2)CC1C3\n",
      "NC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1\n",
      "COc1ccc(C2=Nn3c(nnc3-c3ccccc3OC)SC2)cc1OC1CCOC1\n",
      "CNC(C)C(=O)NC(C(=O)NC(C)C(=O)Nc1cccc2ccccc12)C(C)C\n",
      "COC(=O)[C@H]1O[C@@H]2C[C@H]3OC(n4cnc5c(N)ncnc54)[C@H](OC)[C@H]3O[C@@]2(O)[C@@H](O)[C@@H]1O\n",
      "O=[N+]([O-])c1ccccc1S(=O)(=O)NCC1CCC(CNCC2CCc3ccccc3C2)CC1\n",
      "c1ccc(-c2ccc(C(c3ccccc3)n3ccnc3)cc2)cc1\n",
      "COc1ccc(C2c3c(ncn(CCN4CCOCC4)c3=N)Oc3ccc4ccccc4c32)cc1OC\n",
      "Nc1ncnc2c1C(c1ccccc1)c1c(ccc3ccccc13)O2\n",
      "CCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1OC(=O)CCC\n",
      "O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21\n",
      "CN(C(=O)Cc1ccccc1)C(CN1CCCC1)c1ccccc1\n",
      "Cc1cc(C)cc(OCC2CNC(=O)O2)c1\n",
      "C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)C6C[C@@H](O)[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)C6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O\n",
      "CC[C@]1(O)CCC2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]21CC\n",
      "Fc1ccc(N2CCN(CCC3OCCc4ccccc43)CC2)cc1\n",
      "Oc1ccc2c(c1)OCC1c3cc4c(cc3OC21)OCO4\n",
      "C[C@]12C=CC(=O)C=C1CCC1C2CC[C@]2(C)C(=O)CCC12\n",
      "CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(C(C)=O)c1\n",
      "CNCCC(Oc1ccccc1OC)c1ccccc1\n",
      "NC(=O)c1ncn(C2O[C@H](CO)[C@@H](O)[C@H]2O)c1N\n",
      "CCC(=O)NC(c1cccs1)c1cc([N+](=O)[O-])c2cccnc2c1OC\n",
      "C=C1OC(=O)C2=C1OC(/C=C/C)C(O)C2O\n",
      "CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1\n",
      "CCC1CCc2sc(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3OC)cc2C1\n",
      "Clc1ccc(C(Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1\n",
      "O=C(NCC(O)CO)[C@]1(CCS(=O)(=O)c2ccccc2)N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1\n",
      "CC(N)C(=O)NC(C(=O)NC(C)C(=O)Nc1cccc2ccccc12)C(C)C\n",
      "COC(=O)C1C(C)=NC(C)=C(C(=O)OCC(C)C)C1c1ccccc1[N+](=O)[O-]\n",
      "NC(=O)c1ncn(C2OC(CO)C(O)C2O)n1\n",
      "COC(=O)CC1C(=O)NCCN1C(=O)OC(C)(C)C\n",
      "NC(=O)NC1NC(=O)NC1=O\n",
      "CCCc1c(OCC(O)COc2ccc3c(=O)cc(C(=O)O)oc3c2CCC)ccc(C(C)=O)c1O\n",
      "CCOC(=O)C1CN(Cc2ccccc2)C(=O)C1=O\n",
      "c1nc(NCC2CCCO2)c2cc(-c3ccc4c(c3)OCO4)ccc2n1\n",
      "COc1cc(O)c(C(CC(=O)N2CCCC(C)C2)c2ccccc2)c(OC)c1\n",
      "CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1O\n",
      "CO[C@H]1C=C2CCN(C)[C@H]2C2c3cc4c(cc3C(=O)O[C@@H]21)OCO4\n",
      "CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1\n",
      "CC12C=CC(=O)C=C1CCC1C2=CCC2(C)C1CC[C@@H]2C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1\n",
      "CNC(C)C(=O)NC(C(=O)N1CCCC1C(=O)NNc1ccccc1)C(C)C\n",
      "CC(Cc1ccc(O)cc1)NCC(O)c1cc(O)cc(O)c1\n",
      "CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1\n",
      "CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2\n",
      "CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1\n",
      "COc1ccccc1OCC(O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1\n",
      "CC(C)NCC(O)COc1cccc2[nH]ccc12\n",
      "CC(CNC1CCCCC1)OC(=O)c1ccccc1\n",
      "CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1\n",
      "O=C1CN(C(=O)c2ccccc2F)C(c2ccccc2)c2cc(Cl)ccc2N1\n",
      "CCN(CC)C(=O)C1CCCN(Cc2cccc(Cl)c2)C1\n",
      "CC(=O)O[C@H]1C(OC=C(C)C(=O)O)C(C)(C)CC2C3=CCC4C5(C)CCC(OC6O[C@H](C(=O)O)[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@](C)(CO)C5CCC4(C)[C@]3(C)C[C@@H](O)C21CO\n",
      "O=C1NC(O)(c2ccccc2)Oc2ccccc21\n",
      "COc1ccc(CCN(C)C(=O)C2CCCN(Cc3ccc(OC)c(OC)c3)C2)cc1OC\n",
      "Clc1ccc(C(c2ccc(Cl)cc2)[n+]2ccn(CC(OCc3ccc(Cl)cc3Cl)c3ccc(Cl)cc3Cl)c2)cc1\n",
      "Nc1c2c(nc3ccccc13)CCCC2O\n",
      "CS(=O)(=O)c1ccc(S(=O)CC(=O)OCc2ccccc2)c([N+](=O)[O-])c1\n",
      "O=C1OC(OC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)c2ccccc21\n",
      "CNC(C)[C@H](O)c1ccccc1\n",
      "Cc1noc(C)c1-c1ccc2ncnc(NCC3CCCCN3C)c2c1\n",
      "CCC12CCCN3CCC4(c5ccc(OC)c(O)c5N(C(C)=O)C4CC1)C32\n",
      "CC1(C)C2CC[C@]3(C)C(C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@]43C)[C@@]2(C)CC[C@@H]1OC(=O)CCC(=O)O\n",
      "CCC(CO)NC(=O)C1C=C2c3cccc4c3c(cn4C)CC2N(C)C1\n",
      "Nc1nc(=O)c2nc(Br)n(C3OC4COP(=O)(O)OC4C3O)c2[nH]1\n",
      "COc1cc(CC2COC(c3ccc(O)c(OC)c3)C2COC(=O)/C=C/c2ccc(O)cc2)ccc1O\n",
      "CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12\n",
      "Oc1cc2c(cc1O)C1c3ccccc3CNC1CC2\n",
      "CCN1C[C@]2(C)CC[C@H](OC)[C@@]34C1[C@]1(OCO[C@@]15C[C@H](OC)[C@H]1C[C@]3(O)[C@@H]5[C@H]1OC)[C@@H](OC(C)=O)[C@H]24\n",
      "O=S(=O)(c1ccc2c(c1)C(O)c1ccccc1CC2)C(F)(F)F\n",
      "NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]3[C@@H](OC4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4N)[C@@H](N)C[C@@H](N)[C@@H]3O)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O\n",
      "O=c1ccc2cc(OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1\n",
      "CCCCCCCCN1C(=O)C(C(C)=O)=C(C)C1(C)O\n",
      "COc1ccc(CN2CCCC(C(=O)N3CCCC3)C2)c(OC)c1OC\n",
      "COc1c2c(nc3ccccc13)OC(C(C)(O)CO)C2\n",
      "CCC1(C)CC(=O)NC1=O\n",
      "CC(C[N+](C)(C)C)OC(N)=O\n",
      "C=CC1c2cc(OC)c(OC)cc2CC(C)N1Cc1ccc(OC)cc1\n",
      "O=C1c2ccccc2NC(c2ccc(-c3cccc(F)c3)o2)N1O\n",
      "CCCC(C)(COC(N)=O)COC(=O)NC(C)C\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(N(C)C)cc2CC1=O\n",
      "Cc1cccc(CNc2ncnc3ccc(-c4ccc5c(c4)OCCO5)cc23)c1\n",
      "CS(=O)(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(Br)cc3)[C@H]2C1\n",
      "CCCN(C)C[C@@H]1Oc2cc(C#Cc3ccncc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C\n",
      "CCCN(C)C[C@H]1Oc2cc(C#CCC3CCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C\n",
      "O=Cc1c2[nH]c3ccccc3c2cc2[nH]c3ccccc3c12\n",
      "OCCN1CCN(CCC=C2c3ccccc3Sc3ccc(Cl)cc32)CC1\n",
      "COc1cc(OC)cc(C(=O)Nc2nc[nH]n2)c1\n",
      "CCC(C)(C)N=C(NC#N)Nc1cccnc1\n",
      "COc1ccc2[nH]cc(C3=CCNCC3)c2c1\n",
      "C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)C1CCCCC1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O\n",
      "N#C/C(=C\\c1cccn1S(=O)(=O)c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(F)cc1\n",
      "CO[C@@H](CN(C)C(=O)Nc1ccc(F)cc1)[C@@H](C)CN(Cc1ccccc1Cl)[C@@H](C)CO\n",
      "COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2\n",
      "CCc1cc2cc3c(cc2nc1SCC(=O)OC(C)C)OCO3\n",
      "CCCc1c(-c2ccc(O)cc2)nn(-c2ccc(O)cc2)c1-c1ccc(O)cc1\n",
      "CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CN(C(C)C)C2\n",
      "OCc1ccc(-c2ccc(-c3ccc(CO)s3)o2)s1\n",
      "O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12\n",
      "Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)NC1CCCCC1)OCCCC[C@H](C)O2\n",
      "COc1cccc2c(NCc3ccccc3)nc(N3CCOc4ccccc43)nc12\n",
      "CO[C@H](CN(C)S(=O)(=O)c1ccc(F)cc1)[C@H](C)CN(C(=O)Nc1ccccc1F)[C@@H](C)CO\n",
      "N#Cc1ccc(Oc2ccc(-c3ccccc3)cc2)cc1C#N\n",
      "C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@@H]1CN(C)Cc1ccccn1\n",
      "COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccccc1)CC31CCN(Cc2cncnc2)CC1\n",
      "CN1c2ccc(C3=CCCCC3)cc2[C@@H]2[C@@H](CCN2C(=O)NC2CCCC2)[C@H]1CO\n",
      "C[C@H]1CCCCO[C@H](CN(C)C(=O)Nc2ccc(F)cc2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2O1\n",
      "O=S(=O)(c1ccc2ccccc2c1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1\n",
      "CNC[C@H]1OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2C(=O)N([C@H](C)CO)C[C@H]1C\n",
      "O=C(OCC#CCSc1nnc(-c2ccccc2)o1)c1ccc(F)cc1\n",
      "CC(C)CNC(=O)[C@@]1(c2ccc([N+](=O)[O-])cc2)CC(=O)N(CC23CC4CC(CC(C4)C2)C3)[C@@H]1c1ccc(CO)cc1\n",
      "Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C)c2cc1C=O\n",
      "O=C1CNC[C@@H]2[C@@H](c3ccc(C4=CCCCC4)cc3)[C@H](CO)N12\n",
      "COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CN(CC2CCOCC2)C1\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2\n",
      "COc1ccc(-c2ccc([C@H]3[C@H]4CN(C(=O)Cc5ccncc5)CCCCN4[C@H]3CO)cc2)cc1\n",
      "Cc1ccc(CSc2nnc(-c3cccc4ccccc34)o2)cc1\n",
      "Cc1nn(C(=O)Cn2nc([N+](=O)[O-])cc2C)c(C)c1Cl\n",
      "O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc(-c2ccccc2)nc2ccccc12\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)CC2CC2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C1=O\n",
      "Clc1ccccc1CN1CCc2sccc2C1\n",
      "O=C(c1ccc(F)cc1)C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1\n",
      "CN(C)Cc1ccc(-c2nc3cccc4c3n2CCNC4=O)cc1\n",
      "c1ccc2[nH]c(COCc3nc4ccccc4[nH]3)nc2c1\n",
      "CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1\n",
      "NCCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1\n",
      "CCCN(CCC)c1ncnc2c1cnn2-c1ccc(OC)cc1\n",
      "OC[C@H]1[C@H](c2ccc(-c3cccnc3)cc2)[C@@H]2CN(Cc3ccccn3)CCCCN12\n",
      "Nc1cc2c3ccccc3ccc2c2ccccc12\n",
      "Cc1nnc2ccc(-c3cccc(C(F)(F)F)c3)nn12\n",
      "CCC(=O)N(C)C[C@@H]1Oc2cc(C3=CCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C\n",
      "C[C@H]1CCCCO[C@@H](CN(C)C(=O)Nc2ccc(F)cc2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2O1\n",
      "NC(N)=Nc1nc(CSCC/C(N)=N\\S(N)(=O)=O)cs1\n",
      "O=C(NCCCCN1CCOCC1)c1cc2ccccc2o1\n",
      "C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3cccc(C#N)c3)cc2O[C@H]1CN(C)CC1CC1\n",
      "CCCNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)NC(C)C)cc3C(=O)N2C)O1\n",
      "C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@H](C(=O)NCc3ccc(F)cc3)[C@H](c3cccc(OCCO)c3)N2C1=O\n",
      "C[C@H]1CCCCO[C@H](CN(C)CC2CC2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2O1\n",
      "CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1\n",
      "C[C@H]1C[C@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)C3CC3)ccc2O[C@H]1CN(C)C\n",
      "Cc1c(CC(=O)O)c(=O)oc2cc(OCC(=O)O)ccc12\n",
      "O=C1CN(S(=O)(=O)c2cccc(F)c2)C[C@@H]2[C@@H](c3ccc(C4=CCCC4)cc3)[C@H](CO)N12\n",
      "O=C(OCC#CCSc1nnc(-c2cccc3ccccc23)o1)c1ccc(Cl)cc1\n",
      "CCCN(C)C[C@H]1OCCCC[C@H](C)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C(=O)N([C@H](C)CO)C[C@H]1C\n",
      "C[C@]12CC[C@@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]21CCC(=O)O1\n",
      "COc1cc(/C=C/C(=O)c2ccccc2)cc(OC)c1OC\n",
      "O=C(O)c1ccc(-c2nn3c(=O)cc(N4CCNCC4)nc3s2)cc1\n",
      "COc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1\n",
      "[N-]=[N+]=Nc1ccccc1[C@@H]1OC(c2ccc(OCCCO)cc2)=N[C@]1(CCS(=O)(=O)c1ccccc1)C(=O)N1CCCCC1\n",
      "CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC(=O)CN3C(=O)c4ccccc4C3=O)cc12\n",
      "O=C(CC(=O)C(F)(F)F)c1cccs1\n",
      "CO[C@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2OC[C@@H](C)N(C(=O)NC(C)C)C[C@H]1C\n",
      "CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)NC3CCCCC3)c2O[C@@H]1CN(C)Cc1ccc(C(=O)O)cc1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2cccc(F)c2)Oc2ncc(-c3ccccc3F)cc2C1=O\n",
      "Cc1cc(-c2ccncc2)n2ncc(-c3ccccc3)c2n1\n",
      "COc1ccc(CN(C)C[C@H]2OCCCC[C@@H](C)Oc3ccc(NS(=O)(=O)c4ccccc4)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1\n",
      "CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C\n",
      "O=C(COc1c(Cl)cc(Cl)cc1Cl)N/N=C/c1ccc[nH]1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O[C@H]1CN(C)Cc1ccc(C(F)(F)F)cc1\n",
      "N#CC(C#N)=C(N)/C(C#N)=C/c1ccc(O)cc1\n",
      "Cl[Pt]Cl\n",
      "C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CCN(C)C)cc2O[C@H]1CN(C)Cc1ccc2c(c1)OCO2\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O[C@H]1CN(C)C(=O)Nc1ccc(F)cc1\n",
      "Cc1ccc(S(=O)(=O)N(C)C[C@@H]2Oc3cc(C4=CCCC4)ccc3S(=O)(=O)N([C@H](C)CO)C[C@H]2C)cc1\n",
      "CN(C)CCOc1ccc(-c2nc(-c3ccncc3)c(-c3ccc4c(c3)CC/C4=N/O)[nH]2)cc1\n",
      "CN(C)C1=C(Cl)C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O\n",
      "CNC[C@H]1OCCCC[C@@H](C)Oc2ccc(NC(=O)C3CCCCC3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C\n",
      "O=c1[nH]c2ccccc2n1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1\n",
      "CN(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(CC4CC4)C[C@@H]23)cc1\n",
      "c1cncc(CNc2ccnc(-c3ccc4c(c3)OCO4)n2)c1\n",
      "Cc1c(OCC(=O)O)ccc2c(-c3ccccc3)cc(=O)oc12\n",
      "O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)N1CCN(c3ncccn3)CC1)[C@]1(C(=O)Nc3ccc(C#CCCO)cc31)[C@H]2c1ccccc1OCCO\n",
      "N#Cc1cccc(-c2ccc([C@@H]3[C@H]4CN(Cc5ccccc5)C[C@@H]3N4)cc2)c1\n",
      "CNC[C@H]1OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C\n",
      "COc1cc(C(=O)N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C\n",
      "COc1cc(CN2C[C@H]3N[C@@H](C2)[C@H]3c2ccc(-c3ccncc3)cc2)cc(OC)c1\n",
      "O=C(C1CCOCC1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1ccc(Cl)cc1\n",
      "O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12\n",
      "COc1ccc(CN(C)C[C@@H]2OCCCC[C@H](C)Oc3ccc(NC(=O)C4CCCCC4)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1\n",
      "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C\n",
      "C[C@H]1CCCCO[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3cccc4ccccc34)ccc2O1\n",
      "O=C(CC(=O)c1ccccc1)c1ccccc1\n",
      "O=C1c2ccccc2-c2n[nH]c3cccc1c23\n",
      "COc1ccccc1-c1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)CC1CCOCC1)O2\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2cncnc2)Oc2cc(/C=C/c3ccccc3)ccc2S1(=O)=O\n",
      "C/C=C/Cn1c(SCCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCc2cnnn2CCCC1=O\n",
      "NC(=O)c1ccccc1Nc1nc(NCCO)nc(N2CCCC2)n1\n",
      "CCc1cnc(N2[C@H](CO)[C@H](c3ccc(C4=CCCCC4)cc3)[C@@H]2C#N)s1\n",
      "C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)N(C)C)C3)[C@H](C)[C@H]12\n",
      "COc1ccc([Si](C)(C)[C@@H]2[C@@H](CCO)O[C@]3(C(=O)N(C)c4c(Br)cc(C)cc43)[C@H]2C)cc1\n",
      "COc1ccc(CN(C)C[C@@H]2OCCCC[C@H](C)Oc3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1\n",
      "CC/C=C\\C/C=C\\C/C=C\\CCCCCCCCCCCC(=O)O\n",
      "C1COC(NC(C2CC2)C2CC2)=N1\n",
      "CN1CCc2ccccc2Cc2[nH]c3ccccc3c2CC1\n",
      "CN[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21\n",
      "OC(CCCN1CCCCC1)(c1ccccc1)c1ccccc1\n",
      "COc1ccc(CN(C)C[C@H]2OCCCC[C@H](C)Oc3ccc(NC(=O)NC(C)C)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1\n",
      "Cc1ccccc1NCC(=O)N/N=C/c1ccc[nH]1\n",
      "COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)Cc2ccc4c(c2)OCO4)O3)cc1\n",
      "C[C@H]1CCCCO[C@@H](CN(C)C(=O)NC2CCCCC2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O1\n",
      "O=C(O)C(=O)CF\n",
      "COC(=O)C1(N2CC3=CCCC=C[C@H]3[C@@H]2[C@@H](O)Cc2ccccc2)CCCCC1\n",
      "O=C(OCC#CCSc1nnc(-c2cccc3ccccc23)o1)C1CC1\n",
      "OCc1c[nH]c2ccccc12\n",
      "Cn1nnnc1Sc1ncnc2scc(-c3cccc4ccccc34)c12\n",
      "Cc1onc(C(=O)N2CCN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)c1[N+](=O)[O-]\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)C)O2\n",
      "O=[N+]([O-])c1ccc2[nH]c(CNc3nc(N4CCOCC4)nc4c3ncn4-c3ccsc3)nc2c1\n",
      "Cc1cccc(Nc2cc(Cl)nc(SCC(=O)O)n2)c1C\n",
      "Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(Br)c3)c3ccccc23)no1\n",
      "O=C(O)CCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1\n",
      "N[C@@H](CCl)C(=O)O\n",
      "COc1ccc(S(=O)(=O)N(C)C[C@@H]2OCCCC[C@@H](C)Oc3ccc(NS(=O)(=O)c4cn(C)cn4)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Cc3ccccc3)cc2C1=O\n",
      "CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccc(Cl)c(Cl)c2)O1\n",
      "C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)Nc1ccc(F)cc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O\n",
      "O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1\n",
      "Cc1ccccc1CN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)C(C)(C)N2C1=O\n",
      "O=C(N[C@@H]1CC[C@H](CC(=O)N2CCOCC2)O[C@@H]1CO)c1ccccn1\n",
      "Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1\n",
      "Cc1[nH]c2ccccc2c1CCNCc1ccc(/C=C/C(=O)NO)cc1\n",
      "Cc1noc(C)c1S(=O)(=O)N(C)C[C@@H]1OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C(=O)N([C@H](C)CO)C[C@H]1C\n",
      "Cc1nc(N2CCN(C(=O)COc3ccccc3C)CC2)c2c3c(sc2n1)CCCC3\n",
      "Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2)n1\n",
      "N#C[C@H]1[C@H](c2ccc(-c3cccnc3)cc2)[C@@H](CO)N1C(=O)C1CCC1\n",
      "O=c1cc(N2CCN(c3cccc(Cl)c3Cl)CC2)[nH]c(=O)n1C1CCCCC1\n",
      "Cc1ccc(-c2cc3ccccn3c2C(=O)CSc2nnc(C)s2)cc1\n",
      "CCN(CC)C(=O)[C@]1(c2ccccc2)C[C@@H]1CN\n",
      "Cc1ccccc1-c1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)CC1CCOCC1)O2\n",
      "Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2\n",
      "CN(C)CCn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3csc(N)n3)[C@H]2SC1\n",
      "O=C(O)CC/C=C\\CC[C@H]1[C@@H](OCc2ccc(-c3ccccc3)cc2)C[C@H](O)[C@@H]1N1CCCCC1\n",
      "COc1ccc(CN(C)C[C@@H]2OCCCC[C@H](C)Oc3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1\n",
      "CNC(S)=NN=Cc1c(C(=O)OC)cnn1-c1ccc(Cl)cc1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2cccc(F)c2)Oc2cc(-c3ccc(C#N)cc3)ccc2S1(=O)=O\n",
      "C[C@@H](N)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1\n",
      "Cn1c(=O)c2c(ncn2C)n(C)c1=O\n",
      "CCCCc1ccc2[nH]c(NC(=O)OC)nc2c1\n",
      "O=S(=O)(N[C@H]1CC[C@@H](CCn2cc(Cc3ccccc3)nn2)O[C@H]1CO)c1ccccc1F\n",
      "O=C(OCc1nnc(-c2ccccc2)o1)c1ccc([N+](=O)[O-])o1\n",
      "c1nc(NC[C@@H]2CCCO2)c2cc(-c3ccc4c(c3)OCO4)ccc2n1\n",
      "CC(C)N(C[C@H]1N[C@H](CO)[C@@H]1c1ccc(C2=CCCCC2)cc1)C(=O)CN(C)C\n",
      "Cc1ccccc1N1Cc2ccccc2C1=O\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)Cc1ccncc1)OCCCC[C@H](C)O2\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2O[C@H](C)CCCCO[C@@H]1CN(C)C(=O)Nc1ccccc1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O\n",
      "OC[C@H](Cc1ccccc1)Nc1nc(Oc2ccc3c(c2)CCC3)nc2c1ncn2Cc1ccc(-c2ccccc2)cc1\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "CCCN(C)C[C@H]1Oc2cc(C3=CCCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C\n",
      "COc1cccc(C#Cc2ccc3c(c2)O[C@@H](CN(C)C)[C@H](C)CN([C@H](C)CO)S3(=O)=O)c1\n",
      "COC(=O)N/N=C/c1ccc([N+](=O)[O-])o1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)Cc2cc(N(C)C)ccc2O[C@H]1CN(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1\n",
      "CC(=C(CCOP(=O)(O)O)SC(=O)c1ccccc1)N(C=O)Cc1cnc(C)nc1N\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)Nc3ccc(F)cc3)ccc2O[C@H]1CN(C)CC1CCCCC1\n",
      "CC(C)(c1ccc(NS(=O)(=O)C(F)(F)F)cc1)c1ccc(C(C)(C)c2cccc(NS(=O)(=O)C(F)(F)F)c2)cc1\n",
      "C[C@H]1CCCCO[C@@H](CN(C)Cc2ccc3c(c2)OCO3)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(N(C)C)ccc2O1\n",
      "CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(CC#CCCCNS(C)(=O)=O)cc1OC2(C)C\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O[C@H](C)CCCCO[C@H]1CN(C)Cc1ccccc1\n",
      "O=C1CNC[C@@H]2[C@@H](c3ccc(Br)cc3)[C@H](CO)N12\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)Oc2c(NC(=O)Nc3ccc(F)cc3)cccc2C1=O\n",
      "COc1cc2c3cc1Oc1cc(ccc1O)C[C@@H]1c4c(cc(OC)c(O)c4Oc4cccc(c4)C[C@@H]3N(C)CC2)CC[N+]1(C)C\n",
      "Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1\n",
      "CC(C)(C)c1ccc(C(=O)Nc2cc(Cl)ccc2C(=O)O)cc1\n",
      "O=C(c1ccoc1)N1CCN(c2cc(-c3cccnc3)nc3cc(-c4cccc(Cl)c4)nn23)CC1\n",
      "C/C=C/c1ccc2c(c1)O[C@H](CNC)[C@@H](C)CN([C@H](C)CO)S2(=O)=O\n",
      "CO[C@H]1CC[C@H]2CCN(C)C(=O)[C@@H](C)[C@@H](OC)CN(C)C(=O)c3cc(C#N)ccc3OC[C@@H]1O2\n",
      "Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(F)cc2)OCCCC[C@H](C)O3)cc1\n",
      "CCCCCCC[N+](CC)(CC)CCCCc1ccc(Cl)cc1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)Nc3ccc4c(c3)OCO4)ccc2O[C@@H]1CN(C)Cc1ccc2c(c1)OCO2\n",
      "O=C1NC(=O)/C(=C\\c2ccc3nccc(-c4ccncc4)c3c2)S1\n",
      "COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2cc3c(cc2CCN1C)OCO3\n",
      "CSc1nccc(-c2ccc(S(=O)(=O)Nc3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)s2)n1\n",
      "COC(=O)Nc1nc2cc(SC(C)C)ccc2[nH]1\n",
      "COc1cc(/C=C/C(=O)N2CCCCC2=O)cc(OC)c1OCCN1CCOCC1\n",
      "Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1\n",
      "C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)Cc1cccnc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)c3ccncc3)c2O[C@@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)Nc3cccc4ccccc34)c2O[C@@H]1CN(C)S(=O)(=O)c1ccc(F)cc1\n",
      "C[C@H](c1ccc(F)cc1CCCC(=O)O)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1\n",
      "CC(C)C#Cc1ccc([C@@H]2[C@@H](C#N)N(C(=O)c3cccc(F)c3)[C@@H]2CO)cc1\n",
      "C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(c3)O[C@H](c3ccc(O)cc3)CC4=O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O\n",
      "Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O[C@H]1CN(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1\n",
      "O=C(COC(=O)CNC(=O)C1CCCCC1)Nc1ccccc1Cl\n",
      "CCC(=O)N(C)C[C@H]1Oc2cc(C3=CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C\n",
      "Nc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1\n",
      "COc1cccc(S(=O)(=O)N2CCCCN3[C@@H](CO)[C@@H](c4ccc(C#CCC(C)C)cc4)[C@@H]3C2)c1\n",
      "C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)C(=NO)c3csc(N)n3)[C@H]2SC1\n",
      "O=C(C[C@H]1CC[C@@H](NC(=O)C2CC2)[C@@H](CO)O1)Nc1ccccc1\n",
      "C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(=O)CCCN1CCN(C)CC1)[C@@H](O)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C\n",
      "CCCN(C)C[C@@H]1Oc2ncc(C#Cc3ccc(OC)c(OC)c3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C\n",
      "COc1ccc2c3c([nH]c2c1)[C@@H](CO)NCC31CN(Cc2cc(F)ccc2F)C1\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(=O)NC(C)C)OCCCC[C@@H](C)O2\n",
      "CNC[C@@H]1Oc2cc(C3=CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C\n",
      "Cn1cc(-c2[nH]c3cc(NC(=O)[C@H](N)C4CCCCC4)cc4c3c2C=NNC4=O)cn1\n",
      "CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21\n",
      "COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CN(C(=O)Cc2ccccc2)C1\n",
      "O=C1C(Cl)=C(NCCN2CCOCC2)C(=O)c2ncccc21\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C)OCCCC[C@@H](C)Oc2ccc(NC(=O)CCCN(C)C)cc2C1=O\n",
      "CC1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1\n",
      "COc1ccc(N(C(=O)C2CCCCC2)S(=O)(=O)c2cc(OC)ccc2OC)cc1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CCCC2)Oc2cc(C3=CCCCC3)ccc2S1(=O)=O\n",
      "COc1ccc(NC(=O)N2CC(=O)N3[C@@H](CO)[C@@H](c4ccc(C5=CCCC5)cc4)[C@@H]3C2)cc1\n",
      "CC=CC[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C\n",
      "O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1C(F)(F)F\n",
      "O=C(C[C@H]1C=C[C@H](NC(=O)Nc2cc(F)ccc2F)[C@H](CO)O1)NCc1ccc2c(c1)OCO2\n",
      "CNCCC[C@]12CC[C@H](c3ccccc31)c1ccccc12\n",
      "COC(Cc1cccc2ccccc12)=C(C#N)C#N\n",
      "CO[C@H]1CC[C@H]2CCN(C)C(=O)[C@@H](C)[C@H](OC)CN(C)C(=O)c3cc(C#N)ccc3OC[C@@H]1O2\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(F)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O\n",
      "COc1cc2c3c([nH]c2cc1F)C(=O)NCC3\n",
      "CN(C(=O)c1c(O)c2ccccc2n(C)c1=O)c1ccccc1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CC2)OCCCC[C@@H](C)Oc2ccc(NC(=O)c3ccncc3)cc2C1=O\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)CCC(F)(F)F)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2C1=O\n",
      "Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1\n",
      "COc1cc2c(cc1O)C[C@H]1c3c(cc(O)c(OC)c3-2)CCN1C\n",
      "COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1\n",
      "O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2ccc(C(F)(F)F)cc2)O1)NCC1CCCCC1\n",
      "O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2cccc(C(F)(F)F)c2)O1)NCc1ccc(Cl)cc1\n",
      "N#C[C@H]1[C@H](c2ccc(C3=CCCCC3)cc2)[C@@H](CO)N1C(=O)CN1CCOCC1\n",
      "COc1cccc(NC(=O)N2[C@@H]3CNC[C@H]2[C@H]3c2ccc(-c3ccncc3)cc2)c1\n",
      "CCCCSc1nc(O)c2c(n1)CCC2\n",
      "COc1ccc2c(c1)OC/C(=C/c1ccc(OC)c(OC)c1)C2=O\n",
      "O=C1NCCCc2c1oc1ccc(O)cc21\n",
      "C[C@H]1CCCCO[C@@H](CN(C)Cc2ccncc2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2O1\n",
      "CCOC(=O)CSC1=NC(=O)/C(=C\\c2ccc(Cl)cc2)S1\n",
      "O=C(Oc1cc(OC(=O)c2ccccc2)c2c(c1)O[C@H](c1ccc(OC(=O)c3ccccc3)c(OC(=O)c3ccccc3)c1)[C@@H](OC(=O)c1ccccc1)C2)c1ccccc1\n",
      "COc1cc(/C=C/C(=O)n2cnc3ccccc32)cc(OC)c1OC\n",
      "CC(C)n1nc(-c2ccc3cn[nH]c3c2)c2c(N)ncnc21\n",
      "CCCNC(=O)N1CC2(CCN(C(=O)C3CCOCC3)CC2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO\n",
      "Clc1ccccc1CNCC1CCC(CNCc2ccccc2Cl)CC1\n",
      "O=c1oc2ccccc2c(Nc2cc(Cl)cc(Cl)c2)c1[N+](=O)[O-]\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)C3CCCCC3)c2O[C@@H]1CN(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1\n",
      "N#CC(C#N)=Cc1cc(O)c(O)c(O)c1\n",
      "CCc1ccc(OCC(=O)Nc2nnc[nH]2)cc1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O[C@H](C)CCCCO[C@H]1CN(C)C(=O)CCCN(C)C\n",
      "CC(=O)c1c(O)c(C)c(O)c(Cc2c(O)c3c(c(C(=O)/C=C/c4ccccc4)c2O)OC(C)(C)C=C3)c1O\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)C(=O)c1ccc(N2CCN(C)CC2)cc1\n",
      "CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCCN(C(C)C)C2\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(C#Cc3ccncc3)cnc2O[C@@H]1CN(C)C(=O)CN(C)C\n",
      "C=C(C)[C@H]1O[C@H]2CC[C@]3(C)[C@@]4(C)c5[nH]c6cc(Cl)c7c8c6c5[C@@H](OC(C)(C)[C@H]5C[C@H](C(=C)C7)[C@]85O)[C@@H]4CC[C@@]3(O)[C@]23O[C@@H]3[C@H]1O\n",
      "Cc1ccc(Sc2c([N+](=O)[O-])c(=O)n(C)c3ccccc23)cc1\n",
      "O=C(C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccccn1\n",
      "COc1cc(-c2ccccc2)nc(S)n1\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)C)O2\n",
      "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C\n",
      "CCCCC[C@H](O)/C=C/[C@H]1C=CC(=O)[C@@H]1CCCCCCC(=O)O\n",
      "C[C@H](O)C#Cc1ccc([C@@H]2[C@H]3CN(CC4CCOCC4)CCCCN3[C@H]2CO)cc1\n",
      "COc1ccc(CN2C[C@@H](O)COC[C@H]3O[C@H](CC(=O)N4CCc5ccccc5C4)CC[C@@H]32)cc1\n",
      "O=C(C[C@H]1CC[C@H]2NC[C@H](O)COC[C@@H]2O1)Nc1nccs1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C1=O\n",
      "C[C@]12CC[C@H]3C(=CCc4cc(O)ccc43)[C@@H]1CCC2=O\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(C#CCN(C)C)cnc2O[C@H]1CN(C)Cc1ccccc1F\n",
      "CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC\n",
      "O=S(=O)(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1cccc2cccnc12\n",
      "Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21\n",
      "O=C(Nc1ccccc1)c1ccccc1Br\n",
      "COc1cc(C(=O)O)c2c(c1C)OC(=O)c1c(C)cc(O)c(C=O)c1O2\n",
      "CCCCOc1cc(C(=O)OCCN(CC)CC)ccc1N\n",
      "O=C(Cn1ccnc1)c1ccc(O)c(O)c1\n",
      "NC(=O)N1c2ccccc2CC(=O)c2ccccc21\n",
      "CC/C(=C(\\c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1\n",
      "CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)CCCN(C)C)ccc2O[C@H](C)CCCCO[C@H]1CN(C)S(=O)(=O)c1ccccc1\n",
      "O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(S(=O)(=O)c2ccccn2)CC1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)NC3CCCCC3)c2O[C@H]1CN(C)Cc1ccc(C(F)(F)F)cc1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2cc(-c3ccncc3)ccc2S1(=O)=O\n",
      "CCS(=O)(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2CC1CCCC1\n",
      "O=C(NC1CCCC1)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2cccnc2)cc1\n",
      "CC(=NOC(=O)c1ccc(Cl)cc1)c1nccs1\n",
      "c1ccc2occc2c1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NS(C)(=O)=O)ccc2O[C@@H]1CN(C)C(=O)Nc1cccc2ccccc12\n",
      "C[C@H](CCc1ccccc1)NC[C@H](O)c1ccc(O)c(C(N)=O)c1\n",
      "COc1cccc([C@@]2(O)CCCC[C@@H]2CN(C)C)c1\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "CC[C@H](NC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12)c1ccccc1\n",
      "O=[N+]([O-])c1cccc2cn[nH]c12\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(-c3cccc(C#N)c3)cnc2O[C@@H]1CN(C)Cc1ccc(F)cc1\n",
      "CC(=O)Nc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1\n",
      "C[C@H]1CCCCO[C@H](CN(C)C(=O)Nc2ccc3c(c2)OCO3)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2O1\n",
      "C[C@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C\n",
      "Oc1ccc(Nc2ccccc2F)c2cccnc12\n",
      "COc1ccc([Si](C)(C)[C@H]2[C@H](CCO)O[C@@]3(C(=O)N(Cc4cccc(NC(C)=O)c4)c4ccccc43)[C@@H]2C)cc1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)C3CCCCC3)ccc2O[C@@H]1CN(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1\n",
      "O=C1Nc2ccc(-c3cccnc3)cc2/C1=C/c1ccc[nH]1\n",
      "COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@@H](O)[C@H](C)O1\n",
      "COc1ccccc1CN1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2cccc(C#N)c2)cc1\n",
      "CC(C)NC(=O)N(C)C[C@@H]1OCCCC[C@@H](C)Oc2ccc(NC(=O)C3CCCCC3)cc2C(=O)N([C@H](C)CO)C[C@H]1C\n",
      "CNC[C@H]1OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2O[C@@H]1CN(C)C\n",
      "COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)O3)cc1\n",
      "Cc1cc(F)cc(C)c1Cn1cnc2c(cnn2C(C)(C)C)c1=O\n",
      "COc1ccc(S(=O)(=O)N(C)C[C@@H]2Oc3c(NC(=O)Nc4cccc5ccccc45)cccc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1\n",
      "O=C(O)CCc1cc(I)c(O)c(I)c1\n",
      "Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1\n",
      "CC(=O)NCCCCCCNC(C)=O\n",
      "C[C@H]1CCCCO[C@@H](CN(C)C(=O)Nc2ccc(F)cc2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2O1\n",
      "c1cncc(CNc2ncnc3ccc(-c4ccoc4)cc23)c1\n",
      "Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cccc3nsnc23)cc1\n",
      "O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O\n",
      "CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1\n",
      "c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1\n",
      "COc1ccccc1NC(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1\n",
      "CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC[C@@H](NC[C@@H](N)CS)C(C)C)C(=O)O\n",
      "O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nc4cc5[nH]cnc5cc4nc3-c3ccccc3)cc2)CC1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)Cc2cc(N(C)C)ccc2O[C@@H]1CN(C)Cc1ccc(C(=O)O)cc1\n",
      "O=C1Nc2cc(Br)ccc2/C1=C1/Nc2ccccc2/C1=N/O\n",
      "Cc1ccc(NS(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)cc1C\n",
      "C=C1C(=O)O[C@@H]2[C@H]1CCC(C)=CCC[C@@]1(C)O[C@@H]21\n",
      "Nc1ccc(-c2cc(=O)c3cc(O)ccc3o2)cc1\n",
      "C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N/OCC(=O)O)c3csc(N)n3)[C@H]2SC1\n",
      "c1ccc(CNc2ccnc(N3CCOc4ccccc43)n2)cc1\n",
      "Retry on C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccncc3)cc2O[C@@H]1CN(C)Cc1ccccc1\n",
      "C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccncc3)cc2O[C@@H]1CN(C)Cc1ccccc1\n",
      "O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl\n",
      "CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@H]2CCC[C@@H]21\n",
      "CCCN(CCC)c1nc(N2CCCC2)nc2cc(OC)c(OC)cc12\n",
      "CCCCCS(=O)(=O)CCCCCCCCCCn1c(-c2ccc(O)cc2)c(C)c2cc(O)ccc21\n",
      "CC(=O)C(C(C)=O)c1c(Cl)c(O)c(O)c2c(C(=O)c3ccccc3)coc12\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)S(=O)(=O)c2cccs2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Cc3ccccc3)cc2C1=O\n",
      "O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2\n",
      "Retry on OC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1\n",
      "OC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1\n",
      "Cc1ccc2nc(Nc3ccccc3)cc(C)c2c1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O[C@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1\n",
      "C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)CC1CC1\n",
      "Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)CC1CC1)OCCCC[C@@H](C)O2\n",
      "C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3cccc(C#N)c3)cc2O[C@H]1CN(C)C(=O)C1CC1\n",
      "O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12\n",
      "C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(C#N)cc3)cc2O[C@@H]1CN(C)Cc1cccc(F)c1\n",
      "CCCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2ccccn2)O1\n",
      "COc1ccc(NC(=O)N(C)C[C@H]2Oc3cc(C#CCN(C)C)ccc3S(=O)(=O)N([C@@H](C)CO)C[C@@H]2C)cc1\n",
      "COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C1CCC(O)CC1)CCC(=O)N2C\n",
      "CCCn1c(SCC(=O)Nc2nc3c(s2)CCCC3)nc2c1c(=O)n(C)c(=O)n2C\n",
      "CC(=O)c1cccc(-c2csc3ncnc(Sc4nnnn4C)c23)c1\n",
      "CC[C@@H]1/C=C/C=C/C[C@H](C)[C@@H](O)[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C(=O)O[C@H]2[C@@H](C)[C@@H](CC1)O[C@@]1(CC[C@@H](C)[C@@H](C[C@H](C)O)O1)[C@@H]2C\n",
      "COc1ccc(S(=O)(=O)N(C)C[C@H]2OCCCC[C@H](C)Oc3ccc(NS(=O)(=O)c4cn(C)cn4)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1\n",
      "Cn1nnnc1Sc1ncnc2scc(Br)c12\n",
      "CCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12\n",
      "O=C(c1cccc(F)c1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C3=CCCC3)cc1)[C@@H]2CO\n",
      "CN1CCC[C@H]1c1cccnc1\n",
      "CCCCC/C=C/C=C1/C(=O)C=C[C@@H]1C/C=C\\CCCC(=O)O\n",
      "COc1ccc(OC)c(-c2nnc3n2N=C(c2ccc(OC)c(OC)c2)CS3)c1\n",
      "CC(C)=CCc1c2c(c(O)c3c(=O)c(O)c(-c4ccccc4)oc13)C=CC(C)(C)O2\n",
      "N=C(N)NCCNS(=O)(=O)c1cccc2cnccc12\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2ccccc2-c2ccccc2CO[C@H]1CN(C)C(=O)Nc1ccc(F)cc1\n",
      "[N-]=[N+]=NCc1ccccc1C[C@@]1(C(=O)N2CCOCC2)N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1N=[N+]=[N-]\n",
      "COc1cc(SC)ccc1C(=O)N1CCC(Cc2ccccc2)CC1\n",
      "C[C@@H]1CCCCO[C@@H](CN(C)C(=O)Nc2ccc(F)cc2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)NC3CCCCC3)ccc2O1\n",
      "COc1ccc2c3c([nH]c2c1)[C@H](CO)NCC31CCN(C(=O)Nc2ccc(F)cc2)CC1\n",
      "O=c1c(O)c(-c2ccc(O)c(O)c2)oc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc(O)c12\n",
      "CN1[C@H]2CCC[C@H]1CC(NC(=O)c1nn(C)c3ccccc13)C2\n",
      "O=C1C[C@@](C(=O)NCCN2CCOCC2)(c2ccc([N+](=O)[O-])cc2)[C@@H](c2ccc(CO)cc2I)N1CC12CC3CC(CC(C3)C1)C2\n",
      "Clc1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1\n",
      "COc1ccc(-c2nc(OC)c3ccccc3n2)cc1\n",
      "O=S(=O)(N[C@@H]1CCCC[C@H]1N1CCOCC1)c1ccc(Cl)cc1\n",
      "O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc([N+](=O)[O-])s1\n",
      "Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)S(=O)(=O)c1ccc(F)cc1)OCCCC[C@H](C)O2\n",
      "Cc1ccc(-c2cc3nc(C)cc(N4CCN(C(=O)c5ccoc5)CC4)n3n2)cc1\n",
      "Nc1ccccc1Nc1c(N)c(=O)oc2ccccc12\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CCOCC2)Oc2ncc(C#Cc3ccncc3)cc2C1=O\n",
      "COc1ccccc1NC(=O)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3cccc(C#N)c3)cc1)[C@@H]2CO\n",
      "COc1ccc(N(C(=O)c2ccccc2)S(=O)(=O)c2cc(OC)ccc2OC)cc1\n",
      "CCCCCCCCCC(=O)N[C@H](CN1CCOCC1)[C@H](O)c1ccccc1\n",
      "Cc1nnc(C(=O)NC(C)(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)o1\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc1ccccc1)OCCCC[C@H](C)O2\n",
      "Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)Nc3cccc4ccccc34)ccc2O[C@H]1CN(C)S(C)(=O)=O\n",
      "C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#CC3CC3)cc2O[C@H]1CN(C)Cc1ccccc1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)Cc1ccc2c(c1)OCCO2\n",
      "COC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4c(C)noc4C)cc3C(=O)N2C)O1\n",
      "C[C@@H]1CCCCO[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O1\n",
      "Cc1ccccc1S(=O)(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#CCN(C)C)cc3)[C@@H]2C1\n",
      "Cc1cc(=O)c2c(O)cc(O)c(C)c2o1\n",
      "C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@@H]1CN(C)Cc1cccnc1\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)Cc1ccccc1)OCCCC[C@H](C)O2\n",
      "COc1ccc2ccccc2c1CNCc1ccccn1\n",
      "CCN(C[C@H]1[C@@H](c2ccccc2)[C@@H](CO)N1C(=O)COC)S(C)(=O)=O\n",
      "Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1\n",
      "CC(=O)N[C@H](CC(C)C)C(=O)O\n",
      "CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccccc1C=CC(=O)OC(C)(C)C\n",
      "CNC(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1\n",
      "COc1cc(N2CCN(C)CC2)ccc1Nc1nc(N)c(C(=O)c2c(Cl)cccc2Cl)s1\n",
      "C/C=C/c1ccc([C@H]2[C@H](CO)N(c3nc(CC)cs3)[C@H]2CNC(C)C)cc1\n",
      "CCN(CC)C(=O)N[C@@H]1C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1\n",
      "CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@H]1CC(=O)[C@]1(C)[C@@H]3CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321\n",
      "C[C@H]1CCCCO[C@H](CN(C)CC2CC2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc4c(c3)OCO4)ccc2O1\n",
      "Nc1cccc2c1CN([C@@H]1CCC(=O)NC1=O)C2=O\n",
      "COc1ccccc1NC(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1\n",
      "OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F\n",
      "CC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1\n",
      "COc1cccc(C(=O)N2C[C@H]3[C@@H](c4ccccc42)[C@@H](CO)N3Cc2ccccc2Cl)c1\n",
      "O=C(NCCc1nc2ccccc2n1C/C=C/c1ccccc1)C1CCCCC1\n",
      "Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)O[C@H]1CO2\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)C3CCCCC3)cccc2C1=O\n",
      "CCCCC(=O)NCCc1c(Cc2ccccc2)[nH]c2ccccc12\n",
      "FC(F)(F)c1ccc(Cl)c(Nc2nnc(-c3ccncc3)s2)c1\n",
      "CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCCC(=O)O\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(N(C)C)ccc2O[C@H](C)CCCCO[C@@H]1CN(C)S(=O)(=O)c1ccccc1\n",
      "CCCCCC#CCC#CCC#CCC#CCCCC(=O)O\n",
      "CN1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1\n",
      "Cc1scc2c1N(C(=O)CN1CCN(C)CC1)c1ccccc1NC2=O\n",
      "O=C(O)Cc1cc2ccccc2nc1C(=O)O\n",
      "COCCOC(=O)N(C)C[C@@H]1OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C(=O)N([C@@H](C)CO)C[C@H]1C\n",
      "CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1\n",
      "COC(=O)c1cnn(-c2ccc(F)cc2F)c1C=NN=C(S)NC(C)(C)C\n",
      "Cc1cc(C(=O)Nc2ccc3c(c2)C(=O)N(C)[C@@H]2CC[C@H](CC(=O)NC4CCCC4)O[C@@H]2CO3)no1\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "CC(=O)N(C)c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1\n",
      "COc1cc2c(cc1OC)[C@@H]1C(=O)c3ccc4oc(C(C)C)cc4c3O[C@@H]1CO2\n",
      "Cc1cc2c(s1)c1cnn(Cc3c(Cl)ccc(C)c3F)c(=O)c1n2C\n",
      "COc1ccc(CCN(C)CCc2ccc(OC)c(OC)c2)cc1OC\n",
      "Cc1nc(CN(C)c2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)cs1\n",
      "CS(=O)(=O)c1ccc(-c2cc(Br)sc2-c2ccc(F)cc2)cc1\n",
      "c1ccc(-c2n[nH]cc2-c2ccnc3ccccc23)nc1\n",
      "CN(C)CC(=O)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NCc3ccncc3)O[C@H](CO)[C@@H]1O2\n",
      "Cc1ccc(S(=O)(=O)N(C)C[C@@H]2Oc3c(NC(=O)Nc4cccc5ccccc45)cccc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1\n",
      "NCc1ccccc1CC(=O)N[C@H]1C(=O)N2C(C(=O)O)=C(CSc3nnnn3CC(=O)O)CS[C@H]12\n",
      "Clc1ccc2nsnc2c1NC1=NCCN1\n",
      "C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@@H]1CN(C)C(=O)Cc1ccncc1\n",
      "CCCN[C@H]1CCc2nc(N)sc2C1\n",
      "O=C1N(CCS(=O)(=O)c2ccccc2)Cc2ccccc2[C@H]2OC(c3ccc(OCCCO)cc3)=N[C@@]12Cc1ccccc1\n",
      "Cc1ccc(NC2=CC(=O)c3sc(C)nc3C2=O)cc1\n",
      "Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)CC2CCCCC2)OCCCC[C@H](C)O3)cc1\n",
      "CCCN1CNc2c(c(=O)[nH]c(=S)n2CCc2ccc(OC)c(OC)c2)C1\n",
      "CCn1c(=O)cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[nH]c1=O\n",
      "COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Cc3cn(C)c4ccccc34)ccc2O[C@H]1CN(C)S(=O)(=O)c1ccc(F)cc1\n",
      "Cc1cc(C(=O)Nc2ccc3c(c2)C(=O)N(C)[C@@H]2CC[C@@H](CC(=O)NCc4ccc(-c5ccccc5)cc4)O[C@H]2CO3)no1\n",
      "Cn1cc(C2=C(c3cn(CCCSC(=N)N)c4ccccc34)C(=O)NC2=O)c2ccccc21\n",
      "CN(C)c1cccc(-c2ccnc(N3CCC(C(N)=O)CC3)n2)c1\n",
      "C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F\n",
      "COc1cc(N2CCC(C(N)=O)CC2)ccc1Nc1nc(N)c(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1\n",
      "CNC[C@@H]1OCCCC[C@H](C)Oc2ccc(NC(=O)c3ccncc3)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C\n",
      "CCCN(CCC)c1nc(N2CCNCC2)c2ccccc2n1\n",
      "CC(C)NC(=O)Nc1cccc2c1O[C@@H](CN(C)C)[C@@H](C)CN([C@H](C)CO)C2=O\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2O[C@H](C)CCCCO[C@@H]1CN(C)C(=O)CCC(F)(F)F\n",
      "CN1c2cc3c(cc2N=C(c2ccc(C(=O)O)cc2)c2ccccc21)C(C)(C)CCC3(C)C\n",
      "COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(F)cc2)O3)cc1\n",
      "CCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2cccnc2)O1\n",
      "COc1ccc(-c2csc(NC(=O)CSc3nnc4c(C)cc5cc6c(cc5n34)OCO6)n2)cc1\n",
      "CCCn1c(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)nc2ccccc21\n",
      "O=c1c(O)c(-c2ccc(O)c(O)c2)oc2c(O)c(O)cc(O)c12\n",
      "COc1cc2c(cc1OC)-c1cc3nc4ccccc4nc3n1C(C)(C)C2\n",
      "C/C=C/c1cccc(-c2nc(C(=O)N(C)C)cc3c2[C@H](CCO)N([S@@](=O)C(C)(C)C)C3)c1\n",
      "O=c1c2ccccc2sn1-c1ccc(F)cc1\n",
      "O=C1NC(=O)/C(=C/c2ccc3nccc(-c4ccncc4)c3c2)S1\n",
      "COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1OC\n",
      "N#C/C(=C\\c1ccc([N+](=O)[O-])o1)c1nc2ccccc2[nH]1\n",
      "O=C1N[C@@H]2C(=C[C@H](O)[C@@H](O)[C@H]2O)c2cc3c(c(O)c21)OCO3\n",
      "O=C1c2cccc3cccc(c23)C(=O)N1CCCSc1nnc[nH]1\n",
      "O=S(=O)(c1ccccc1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1\n",
      "BrC1C(Br)C(Br)C(Br)C(Br)C1Br\n",
      "CC1(C)CCC(C)(C)c2cc(C(=O)Nc3ccc(C(=O)O)cc3)ccc21\n",
      "Cc1c(O)c(=O)ccn1C\n",
      "COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN(CCCOc2ccc(F)cc2)C[C@@H]1OC\n",
      "CCc1csc(N2[C@H](C#N)[C@H](c3ccc(C4=CCCC4)cc3)[C@H]2CO)n1\n",
      "CN1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1Cl\n",
      "Nc1cc(N2CCCCC2)nc(N)[n+]1[O-]\n",
      "CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O\n",
      "S=C(NCCCCN(Cc1ccc(Cl)cc1)c1ccc(Br)cn1)NCCCc1c[nH]cn1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NC(=O)C3CCCCC3)cc2C1=O\n",
      "CN(C)CCCN1c2ccccc2Sc2ccccc21\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O[C@@H]1CN(C)Cc1ccc(Cl)c(Cl)c1\n",
      "C=CCN1C(=O)[C@@]2(O[C@@H](CCO)[C@H]([Si](C)(C)c3ccc(OC)cc3)[C@H]2C)c2cc(I)ccc21\n",
      "C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)Cc1ccccc1\n",
      "O=C(CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1)Nc1ccc(Br)cc1\n",
      "C=CCN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3\n",
      "Cc1cccc(CNc2ncnc3ccc(-c4ccccc4Cl)cc23)c1\n",
      "O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2ccccn2)O1)NC1CCC1\n",
      "CC(C)NC(=O)N(C)C[C@@H]1OCCCC[C@H](C)Oc2ccc(NC(=O)C3CCCCC3)cc2C(=O)N([C@H](C)CO)C[C@H]1C\n",
      "CC(C)=CCOc1c2occc2cc2ccc(=O)oc12\n",
      "COC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Cc4cccs4)cc3C(=O)N2C)O1\n",
      "CNc1nc(N)c([N+](=O)[O-])c(Nc2cccc(F)c2)n1\n",
      "COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC\n",
      "C/C=C(/C)C(=O)O[C@@H]1Cc2c(ccc3ccc(=O)oc23)OC1(C)C\n",
      "C(=C/c1ccccc1)\\CN1CCN(C(c2ccccc2)c2ccccc2)CC1\n",
      "O=C(NCCN1CCOCC1)c1ccc(Cl)cc1\n",
      "CN(C)C(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4ccc(F)cc4)cc3C(=O)N2C)O1\n",
      "Cn1nnnc1Sc1ncnc2scc(-c3cccc(Br)c3)c12\n",
      "C[C@@H](CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccccc2)Oc2cc(C#CCN(C)C)ccc2S1(=O)=O\n",
      "COC(=O)c1ccc(CN2CC(=O)N3[C@@H](CO)[C@@H](c4ccc(Br)cc4)[C@@H]3C2)cc1\n",
      "Cc1ccc(-c2cnc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)CC2CCCCC2)O3)cc1\n",
      "CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)C(F)(F)F\n",
      "O=c1cc(O)cc(/C=C/c2ccc(O)c(O)c2)o1\n",
      "COc1cccc(S(=O)(=O)N(C)C[C@H]2OCc3cn(nn3)CCCC(=O)N([C@H](C)CO)C[C@@H]2C)c1\n",
      "CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c(n1c1ccccc41)[C@H]32\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)NC3CCCCC3)cc2C1=O\n",
      "COc1ccc(S(=O)(=O)n2c(N)nc3ccccc32)cc1\n",
      "Nc1ccc2c(c1)C(NCCc1ccc(Oc3ccccc3)cc1)=NCN2\n",
      "C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CCN(C)C)cc2O[C@H]1CN(C)Cc1ccccc1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)Cc1ccc2c(c1)OCCO2\n",
      "C[C@H]1O[C@@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C[C@H](O)[C@@H]1O\n",
      "C[C@H](Cc1ccc(OCC(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1\n",
      "COC(=O)c1ccc(CN2CC(=O)N3[C@H](CO)[C@@H](c4ccc(Br)cc4)[C@H]3C2)cc1\n",
      "FC(F)(F)c1cccc(N2CCN(C(=S)Nc3nccc4ccccc34)CC2)c1\n",
      "CN1C(=O)c2cc(NC(=O)c3ccccc3Cl)ccc2OC[C@@H]2O[C@@H](CC(=O)NCC(F)(F)F)CC[C@@H]21\n",
      "COc1ccc2c(c1C(=O)/C=C/c1ccccc1)OC(C)(C)C=C2\n",
      "COc1ccc(Cl)cc1Nc1nnc(-c2ccncc2)s1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)c3ccccc3)ccc2O[C@H](C)CCCCO[C@@H]1CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1\n",
      "CCc1cnc(N2[C@@H](C#N)[C@H](c3ccc(C4=CCCC4)cc3)[C@@H]2CO)s1\n",
      "O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cccc(C(F)(F)F)c2)O1)NCCc1ccncc1\n",
      "COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O\n",
      "COc1ccc(CN(C)C[C@H]2OCCCC[C@H](C)Oc3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)C2CCCCC2)Oc2cc(C#CCN(C)C)ccc2S1(=O)=O\n",
      "N#Cc1cccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(C(=O)Nc5ccccc5)C[C@@H]34)cc2)c1\n",
      "C[C@H]1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@@H](C)N1\n",
      "CCCNC(=O)NC[C@H]1[C@H](c2ccc(C3=CCCCC3)cc2)[C@@H](CO)N1C(C)=O\n",
      "C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(/C=C/c3ccccc3)cc2O[C@H]1CN(C)Cc1cncnc1\n",
      "COc1ccc(S(=O)(=O)N(C)C[C@@H]2OCCCC[C@@H](C)Oc3ccc(NS(=O)(=O)c4cn(C)cn4)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1\n",
      "CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1\n",
      "c1csc(CNc2ncnc3ccc(-c4ccoc4)cc23)c1\n",
      "CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1\n",
      "OC[C@H]1[C@H](c2ccc(-c3cccnc3)cc2)[C@@H]2CN(CC3CCOCC3)CCCCN12\n",
      "COc1ccc(NC(=O)N(C)C[C@H]2OCCCC[C@@H](C)Oc3ccc(NC(=O)C4CCCCC4)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1\n",
      "NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F\n",
      "CC(C)[C@H](CO)Nc1nc(Nc2cc(N)cc(Cl)c2)c2ncn(C(C)C)c2n1\n",
      "CNC[C@@H]1Oc2cc(C#CCN(C)C)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C\n",
      "CC(=O)Nc1ccc(C(C)=NNC(=O)C2CCCC2)cc1\n",
      "C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CCN(C)C)cc2O[C@@H]1CN(C)Cc1ccccc1\n",
      "O=C1c2ccccc2C(=O)N1CC1CCN(Cc2cccc(OCCO)c2)CC1\n",
      "O=C1Nc2ccc(I)cc2/C1=C/c1cc(Br)c(O)c(Br)c1\n",
      "O=C(OCC#CCSc1nnc(-c2cccc3ccccc23)o1)c1ccc(F)c(F)c1\n",
      "Retry on O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)Nc1ccc(Br)c(Cl)c1\n",
      "O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)Nc1ccc(Br)c(Cl)c1\n",
      "CO[C@@H](C(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1\n",
      "C=C[C@@H](O)[C@@H]1O[C@@H]1/C=C/[C@@H]1O[C@@H]1[C@@H](C)O\n",
      "N#C/C(=C\\c1ccc(O)c(O)c1)C(=O)c1ccc(O)c(O)c1\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)CC(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)C)O2\n",
      "COc1ccccc1CNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccccc2)O1\n",
      "CCCN(C)C[C@H]1Oc2cc(-c3ccc(C#N)cc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)Cc2cc(NS(=O)(=O)c3cn(C)cn3)ccc2O[C@@H]1CN(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1\n",
      "COc1cccc(-c2cc3nc(C)c(C)c(N4CCN(C(=O)c5ccoc5)CC4)n3n2)c1\n",
      "C[C@]1(OC(=O)/C=C/c2ccccc2)C[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12\n",
      "OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O\n",
      "COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccc(Cl)cc1)CC31CN(CC2CC2)C1\n",
      "COc1ccc(CN(C)C[C@@H]2Oc3ccc(NC(=O)NC4CCCCC4)cc3CC(=O)N([C@@H](C)CO)C[C@@H]2C)cc1\n",
      "O=c1[nH]c2cc(Cl)ccc2c(O)c1-c1cccc(Oc2ccccc2)c1\n",
      "O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl\n",
      "N#CC(C#N)=Cc1cc(O)c(O)c([N+](=O)[O-])c1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(-c3cc4ccccc4o3)cnc2O[C@H]1CN(C)Cc1ccc2c(c1)OCO2\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)Cc1ccc(Cl)c(Cl)c1)OCCCC[C@@H](C)O2\n",
      "COc1cc(C=C(C#N)C(N)=O)cc(CSc2nc3ccccc3s2)c1O\n",
      "CCC(=O)N1CC2(C1)CN(Cc1cccc(OC)c1)[C@H](CO)c1[nH]c3cc(OC)ccc3c12\n",
      "O=C1C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)SC(=S)N1CCS(=O)(=O)O\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)c2ccc(F)cc2)Oc2cc(C3=CCCCC3)ccc2S1(=O)=O\n",
      "O=C1CN(Cc2ccc(F)cc2)C[C@@H]2[C@H](c3ccc(-c4ccccc4)cc3)[C@H](CO)N12\n",
      "C=C1[C@@H](n2cnc3c(=O)nc(N)[nH]c32)C[C@H](O)[C@H]1CO\n",
      "CCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1\n",
      "COc1ccc(CN(C)C[C@@H]2OCCCC[C@H](C)Oc3ccc(NC(=O)C4CCCCC4)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1\n",
      "O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl\n",
      "COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O\n",
      "CCCCOC(=O)c1ccc(O)cc1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)CCCN(C)C)ccc2O[C@H](C)CCCCO[C@H]1CN(C)CC1CC1\n",
      "c1ccc(-c2nnc(-c3ccccn3)nc2NCC2CCCCC2)cc1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc4c(c3)OCO4)ccc2O[C@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)c3ccncc3)cc2CC1=O\n",
      "CCCN(C)C[C@@H]1Oc2cc(C#CCC3CCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C\n",
      "CC(=O)N1CCN(c2cc(-c3ccco3)nc3cc(-c4ccccc4)nn23)CC1\n",
      "NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O\n",
      "C[C@H]1CCCCO[C@@H](CN(C)S(=O)(=O)c2ccccc2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)CCCN(C)C)ccc2O1\n",
      "Cc1cc(C(C)(C)C)cc(C)c1CC1=NCCN1\n",
      "COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)Nc1c(C)noc1C)CC31CN(CC2CC2)C1\n",
      "CCc1ccccc1NC(=O)CSC(=O)NNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C\n",
      "Cc1ccc(-c2ccc3c(c2)O[C@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](C)CN([C@@H](C)CO)S3(=O)=O)cc1\n",
      "S=C(NCCCc1c[nH]cn1)NCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1\n",
      "CCC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)NC1CCCC1)C2\n",
      "CCCCc1ccc(-c2noc(CCC(=O)NCC)n2)cc1\n",
      "COc1ccc([Si](C)(C)[C@@H]2[C@@H](CCO)O[C@]3(C(=O)N(Cc4ccc(N5CCC5=O)cc4)c4ccccc43)[C@H]2C)cc1\n",
      "COc1cc2ncn(-c3cc(OCc4ccc(S(C)(=O)=O)cc4)c(C(N)=O)s3)c2cc1OC\n",
      "C[C@H]1CCCCO[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(C)(=O)=O)ccc2O1\n",
      "CCn1c(=O)c([N+](=O)[O-])c(Cl)c2ccccc21\n",
      "C=CCNc1ncnc2ccc(Br)cc12\n",
      "CO[C@H]1C[C@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@H]1O\n",
      "O=C1Nc2ccccc2/C1=C\\c1c[nH]cn1\n",
      "O=C(O)c1cn(-c2ccc(F)cc2)c2cc(N3CCNCC3)c(F)cc2c1=O\n",
      "CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC\n",
      "CCOc1ccc(-c2nc3cc(-c4nc5cc(N6CCN(C)CC6)ccc5[nH]4)ccc3[nH]2)cc1\n",
      "CCCSP(=O)(OCC)SCCC\n",
      "CC1(C)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1\n",
      "COc1ccc(NC(=O)N(C)C[C@@H]2OCCCC[C@@H](C)Oc3ccc(NC(=O)Cc4ccccc4)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1\n",
      "Cc1ccc(S(=O)(=O)N(C)C[C@@H]2Oc3cc(C4=CCCC4)ccc3S(=O)(=O)N([C@H](C)CO)C[C@@H]2C)cc1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O[C@@H]1CN(C)Cc1ccc(C(F)(F)F)cc1\n",
      "CN1CCN(CCCN2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1\n",
      "C(#CCN1CCCC1)CN1CCCC1\n",
      "COc1ccc(OC)c(NC(=O)c2ccc(CSc3ncnc4[nH]cnc34)cc2)c1\n",
      "Cc1c[nH]c(=O)n(CCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)c1=O\n",
      "O=c1cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[nH]c(=O)n1-c1ccccc1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)C3CCCCC3)ccc2O[C@@H]1CN(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1\n",
      "CN(C)C(=O)c1cccc(-c2cccc(-c3nc(C(=O)NC4CCCCC4)cc4c3[C@@H](CCO)N([S@](=O)C(C)(C)C)C4)c2)c1\n",
      "CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O\n",
      "NC(=O)c1cccc(N)c1\n",
      "COc1c(-c2ccccc2)oc2c(CC=C(C)C)c3c(c(OC)c2c1=O)C=CC(C)(C)O3\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)c2O[C@H]1CN(C)Cc1ccc(Cl)c(Cl)c1\n",
      "CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C(=O)C[C@]12C\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Nc2ccc(F)cc2)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2C1=O\n",
      "C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CCN(C)C)cc2O[C@H]1CN(C)CC1CC1\n",
      "CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C\n",
      "Nc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1\n",
      "O=C(C1=C[C@H](c2cccs2)C[C@H](OCCCCO)O1)N1CCCCCCC1\n",
      "N#C[C@H]1N[C@H](CO)[C@H]1c1ccc(C2=CCCC2)cc1\n",
      "CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1\n",
      "Cc1ccc(OCCn2c(CCNC(=O)c3ccc(F)cc3F)nc3ccccc32)cc1\n",
      "CC(=O)Nc1oc(-c2cccc3ccccc23)nc1C#N\n",
      "C=CCn1c(O)c(N=Nc2ccccc2O)c2ccccc21\n",
      "COc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3c(NC(=O)Nc4ccccc4)cccc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1\n",
      "NC(=O)NN=Cc1ccc(Oc2ccc(F)cc2)cc1\n",
      "O=C1c2cccc3c2[C@H](CCC3)CN1[C@@H]1CN2CCC1CC2\n",
      "CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)O\n",
      "COc1cccc(C#Cc2ccc([C@@H]3[C@H](CO)N4C(=O)CN(C(=O)Cc5cccnc5)C[C@@H]34)cc2)c1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc3c(c2)OCCO3)OCc2cn(nn2)CCCC1=O\n",
      "c1cc(CN2CCCCC2)cc(OCCCNc2nc3ccccc3s2)c1\n",
      "O=S1(=O)c2cccc3cccc(c23)N1CCCN1CCN(c2ccc(F)cc2)CC1\n",
      "CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CC2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O\n",
      "C[C@H]1CCCCO[C@H](CN(C)C(=O)CCC(F)(F)F)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2O1\n",
      "C[C@H]1CCCCO[C@H](CN(C)CC2CC2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2O1\n",
      "COc1ccccc1CNC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@H]2[C@H](CO)O1\n",
      "N#Cc1cccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(S(=O)(=O)c5ccccc5)C[C@@H]34)cc2)c1\n",
      "CN1C(=O)c2cc(NC(=O)c3ccccc3Cl)ccc2OC[C@@H]2O[C@H](CC(=O)NCC(F)(F)F)CC[C@H]21\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)Cc1ccccc1C(F)(F)F\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(-c3ccncc3)cnc2O[C@H]1CN(C)C(=O)CN1CCOCC1\n",
      "C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC(=O)[C@@]21C\n",
      "NC(=O)c1ccc(-c2nc(-c3ccc4c(c3)OCCO4)c(-c3ccccn3)[nH]2)cc1\n",
      "O=C(c1ccoc1)N1CCN(c2cc(-c3ccccc3)nc3cc(-c4ccccc4)nn23)CC1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCCN(C)C)ccc2O[C@H](C)CCCCO[C@@H]1CN(C)S(=O)(=O)c1ccccc1\n",
      "O=C(N[C@@H](COc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1)c1cccn(Cc2ccc(F)c(F)c2)c1=O\n",
      "Cc1cc(C)c2nc3s/c(=C\\c4ccc(-c5ccccc5C(=O)O)o4)c(=O)n3c2c1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)Cc2cc(NS(C)(=O)=O)ccc2O[C@@H]1CN(C)Cc1ccc(Cl)c(Cl)c1\n",
      "Oc1c(I)cc(Cl)c2cccnc12\n",
      "C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)O\n",
      "COc1ccc2cc(-c3cn(C(=O)N(c4ccccc4)c4ccccc4)nn3)ccc2c1\n",
      "N#C[C@H]1[C@H](c2ccc(C#Cc3ccccc3F)cc2)[C@@H](CO)N1C(=O)c1cccnc1\n",
      "NC1CCN(c2cccc(Cl)n2)CC1\n",
      "CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)Nc1ccc3c(c1)OCO3)O2\n",
      "COc1ccc(OC(=O)N(C)C[C@H]2OCc3ccccc3-c3ccccc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1\n",
      "CCCCC[C@H](O)/C=C/[C@@H]1C(=O)C[C@H](O)[C@H]1C/C=C\\CCCC(=O)O\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C)Oc2ccc(NC(=O)C3CC3)cc2CC1=O\n",
      "Nc1nc(Nc2cccc(F)c2)nc(Nc2cccc(F)c2)c1[N+](=O)[O-]\n",
      "C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23\n",
      "CN(C)c1ccccc1CN1CCCN(Cc2ccccc2N(C)C)C1c1ccncc1\n",
      "COC1=CC(=O)O[C@@H](/C=C/c2ccccc2)C1\n",
      "CCN1CCN(CC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc34)c3sc4ccccc4c23)CC1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@H]1CN(C)C(=O)[C@H](Cc1ccccc1)N(C)C\n",
      "O=c1cc(N2CCOCC2)oc2c1ccc1ccccc12\n",
      "COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Cc2cccnc2)Oc2cc(C3=CCCCC3)ccc2S1(=O)=O\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CCCCC2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2CC1=O\n",
      "C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CCN(C)C)cc2O[C@@H]1CN(C)Cc1ccccc1\n",
      "C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(C)=O)[C@@H](O)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O[C@@H]1CN(C)Cc1ccc(Cl)c(Cl)c1\n",
      "S=P(N1CC1)(N1CC1)N1CC1\n",
      "CCCCCCCCCCCCCC(=O)N[C@@H](C)[C@H](O)c1ccccc1\n",
      "Cc1cc(C)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1\n",
      "COc1cc(OC)c(/C=C2/C(=O)Nc3ccccc32)c(OC)c1\n",
      "CO[C@@H]1CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2OC[C@@H](C)N(C(=O)C2CCOCC2)C[C@@H]1C\n",
      "Cc1cccc(CS(=O)(=O)c2ncc(Cl)c(C(=O)Nc3nnc(C(C)C)s3)n2)c1\n",
      "c1ccc2c(c1)cc1ccc3cccc4ccc2c1c34\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)Cc3cn(C)c4ccccc34)ccc2O[C@H]1CN(C)CC1CCCCC1\n",
      "CC(C)c1ccc(C(=O)Nc2cc(Cl)ccc2C(=O)O)cc1\n",
      "CCCCCCCC/C=C\\C/C=C\\C/C=C\\CCCC(=O)NCCO\n",
      "CCCCCCN(CCCCCC)C(=O)Cc1c(-c2ccc(F)cc2)[nH]c2ccccc12\n",
      "c1ccc2c(c1)c1cccc3ccc4cccc2c4c31\n",
      "NCCNCc1cccc2cnccc12\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(=O)Cc1ccccc1)OCCCC[C@H](C)O2\n",
      "COc1cc(/C=C/C(=O)N2CCCC=CC2=O)cc(OC)c1OC\n",
      "CC[N+](C)(CC)CCOC(=O)C1c2ccccc2Oc2ccccc21\n",
      "O=C(O)/C=C/c1ccc(O)c(O)c1\n",
      "c1ccc2sc(-c3csc4c3CCNC4)nc2c1\n",
      "O=C1NC(=S)S/C1=C/c1cc(Br)ccc1OCc1ccccc1Br\n",
      "CCc1cccc(CC)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1\n",
      "CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1\n",
      "O=C(NC[C@@H]1[C@H](c2ccccc2)[C@H](CO)N1C(=O)C1CC1)NC1CCCC1\n",
      "CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1\n",
      "CCCN(C)C[C@@H]1Oc2cc(-c3ccc(C#N)cc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C\n",
      "Cc1cc(O)c(O)c(C(=O)C(=O)c2c(O)cc(O)cc2O)c1\n",
      "CN(C)CC#Cc1ccc([C@@H]2[C@H]3CN(CC4CC4)CCCCN3[C@H]2CO)cc1\n",
      "Ic1cccc(CSc2nnc(-c3ccncc3)o2)c1\n",
      "CNC[C@@H]1Oc2ncc(-c3ccc(C)cc3)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "O=C(N/N=C/c1ccc([N+](=O)[O-])s1)c1ccccn1\n",
      "CCCN(C)C[C@H]1OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2C(=O)N([C@H](C)CO)C[C@H]1C\n",
      "Cn1cc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c2ccccc21\n",
      "CN1C=CC=C/C1=C\\N=O\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(C#CCN(C)C)cnc2O[C@H]1CN(C)Cc1ccc(F)cc1\n",
      "Clc1ccc2c(c1)N=C(N1CCNCC1)c1ccccc1N2\n",
      "CS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCOCC2)cc1[N+](=O)[O-]\n",
      "O=C1c2cccc(O)c2C(=O)c2c(O)cccc21\n",
      "CC(C)NC(=O)N(C)C[C@@H]1OCCCC[C@@H](C)Oc2ccc(N(C)C)cc2C(=O)N([C@H](C)CO)C[C@H]1C\n",
      "COc1ccc(/C=C/c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)cc1O\n",
      "OC1(Cc2ccccc2)CCN(c2ncnc3sccc23)CC1\n",
      "Cc1ccc(S(=O)(=O)N[C@H](CCCCN)C(=O)CCl)cc1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccccc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)C3CCCCC3)cc2C1=O\n",
      "O=C(c1c(O)c2ccc(Cl)cc2[nH]c1=O)C1CC1\n",
      "CC[C@@H]1CN2C(=O)N(C)c3nc(-c4ccccc4)[nH]c3C2=N1\n",
      "CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)O)[C@H]1O[C@](CC)([C@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C\n",
      "O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccc3c(c2)OCO3)O1)Nc1ccc(-c2ccccc2)cc1\n",
      "CN(C)CCOC(=O)COc1ccc(Cl)cc1\n",
      "O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)c2ccccc2F)O1)NCc1ccc(Cl)c(Cl)c1\n",
      "CC(=NOC(=O)c1ccc(F)cc1)c1nccs1\n",
      "CC(=O)Nc1ccc(CNc2ncnc3ccc(-c4c(C)noc4C)cc23)cc1\n",
      "CCC(=O)N1CCc2cc(-c3csc(NC(=O)c4ccco4)n3)ccc21\n",
      "O=C1N[C@H](c2ccccc2)COCc2cn(nn2)CC[C@H]1Cc1ccccc1\n",
      "CC1(C)C=Cc2c(ccc3c2[N+]([O-])=C2C3=C[C@@]34NC(=O)[C@]5(CCCN5C3=O)C[C@H]4C2(C)C)O1\n",
      "C#C[C@]1(O)CC[C@H]2[C@H]3[C@H](CC[C@@]21C)C1=C(CC(=O)CC1)C[C@H]3C\n",
      "C#C[C@]1(O)CC[C@@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]21C\n",
      "Cn1c(=NC(=O)CCl)sc2ccccc21\n",
      "COc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3c(NC(=O)C4CCOCC4)cccc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1\n",
      "O=C(C1CC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C4=CCCCC4)cc3)[C@@H]2C1\n",
      "O=C(O)CCN1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O\n",
      "CC(=O)N[C@@H]1[C@H](O[C@@H]2O[C@H](C[C@@H](O)[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3O)[C@H](O)[C@H](O)[C@H]2NC(=O)/C=C/CCCCCCCCC(C)C)O[C@@H](CO)[C@H](O)[C@H]1O\n",
      "C[N+](C)(C)CCCCCC[N+](C)(C)C\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2cccs2)Oc2ccc(N(C)C)cc2CC1=O\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)Nc3ccccc3)c2O[C@H]1CN(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1\n",
      "O=C(O)c1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O\n",
      "Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1\n",
      "COc1ccc2c(c1)c(CCN1CCOCC1)c(C)n2C(=O)c1cccc(Cl)c1Cl\n",
      "CCN(C)C(=O)Oc1cccc([C@H](C)N(C)C)c1\n",
      "C[C@@H]1CCCCO[C@H](CN(C)CC2CCCCC2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(C)(=O)=O)ccc2O1\n",
      "COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CCN(Cc2ccccc2Cl)CC1\n",
      "COc1ccccc1CNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Nc4ccc(F)c(F)c4)cc3C(=O)N2C)O1\n",
      "C/C=C/c1ccc([C@H]2[C@H]3CN(Cc4ccccc4)CC(=O)N3[C@H]2CO)cc1\n",
      "CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C\n",
      "Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cc(-c4ccccc4Cl)nc4ccccc34)cc2)c1C\n",
      "Cc1c(S(=O)(=O)c2ccc(Cl)cc2)csc1C(=O)Nc1ccc(F)cc1F\n",
      "CCOc1ccc(NC(=O)CN2CCN(CC(=O)Nc3cc(OC)cc(OC)c3)CC2)cc1\n",
      "CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O\n",
      "c1ccc2cc3[nH]c(CNc4nc(N5CCOCC5)nc5c4ncn5-c4ccsc4)nc3cc2c1\n",
      "CCC(=O)N1CCC2(CC1)CN(Cc1ccc(Cl)cc1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12\n",
      "Cc1ccc(C(=O)c2cc(O)c(O)c([N+](=O)[O-])c2)cc1\n",
      "N#CC1CCN(c2nc(-c3ccc(Br)cc3)cs2)CC1\n",
      "CN1[C@H]2CCC[C@@H]1C[C@H](NC(=O)c1nn(C)c3ccccc13)C2\n",
      "N#C/C(=C/c1ccc(O)c(O)c1)C(=O)OC/C=C/c1ccccc1\n",
      "COc1ccc(CN(C)C[C@H]2OCCCC[C@H](C)Oc3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1\n",
      "Cn1c(SCC(=O)n2c3c(c4ccccc42)CCCC3)nnc1-c1ccco1\n",
      "CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2\n",
      "C[C@H]1CCCCO[C@@H](CN(C)C(=O)Cc2ccccc2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O1\n",
      "CC(C)OC(=O)CCC/C=C\\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1ccccc1\n",
      "CN(C(=O)C(Cl)Cl)c1ccc(OC(=O)c2ccco2)cc1\n",
      "OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1\n",
      "C[C@H]1CCCCO[C@H](CN(C)C(=O)c2ccccc2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc4c(c3)OCO4)ccc2O1\n",
      "O=C(c1ccccc1)N1CCN(c2cc(Cl)nc3cc(-c4cccc(Cl)c4)nn23)CC1\n",
      "COC(=O)c1cn(C(=O)c2cccc3ccccc23)c2ccccc12\n",
      "CN(C)c1ccc2c(c1)[C@H]1C[C@H](CC(=O)O)O[C@H](CO)[C@H]1O2\n",
      "CNC(=NC#N)NCCSCc1csc(N=C(N)N)n1\n",
      "Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1\n",
      "CNC(=O)NC(=O)CSc1nnc(-c2ccncc2)n1Cc1ccccc1\n",
      "NC(=O)c1ccc(I)c([N+](=O)[O-])c1\n",
      "C[C@@H](NC(=O)/C(C#N)=C\\c1ccc(O)c(O)c1)c1ccccc1\n",
      "O=c1[nH]c2ccccc2c2ccccc12\n",
      "CC(C)NC(=O)N(C)C[C@@H]1OCCCC[C@@H](C)Oc2ccc(NC(=O)c3ccccc3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C\n",
      "O=C(C1=C[C@H](c2csc3ccccc23)C[C@H](OCc2ccc(CO)cc2)O1)N1CCCCC1\n",
      "COc1cc2c(c(OC)c1OC)-c1ccc(C(=O)O)cc1[C@@H](NC(C)=O)CC2\n",
      "CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2O[C@@H]1CN(C)Cc1ccc(C(F)(F)F)cc1\n",
      "COc1cc(F)c(C(=O)NC(C)(C)CO)cc1OC\n",
      "COc1ccc(NC(=O)N2CCCCN3[C@@H](CO)[C@H](c4ccc(-c5ccccc5C)cc4)[C@@H]3C2)cc1\n",
      "CS(=O)(=O)c1ccc([C@@H](O)[C@@H](CF)NC(=O)C(Cl)Cl)cc1\n",
      "O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](c2ccc(Cl)cc2)COC1=O)NCc1ccc(Cl)cc1\n",
      "O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2CCC(F)(F)F)O1)NCC1CCCCC1\n",
      "Cc1cc(C)c(S(=O)(=O)NCC(=O)O)c(C)c1\n",
      "CCc1cc2c(c(CC)n1)CCC(=O)N2Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1\n",
      "N=C(N)NC(=N)NCCc1ccccc1\n",
      "COc1ccccc1NC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cccc(C#N)c4)cc3)[C@@H]2C1\n",
      "CC(=O)Oc1ccccc1C(=O)O\n",
      "CC(=O)[C@H]1CC[C@@H]2[C@@H]3C=CC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C\n",
      "C[C@@H]1O[C@@H](O[C@@H]2C=C3CC[C@H]4[C@H](CC[C@]5(C)[C@@H](c6ccc(=O)oc6)CC[C@]45O)[C@@]3(C)CC2)[C@H](O)[C@H](O)[C@H]1O\n",
      "CCC(=O)O[C@]1(C(=O)SCF)[C@H](C)C[C@@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)Oc2c(NC(=O)Nc3cccc4ccccc34)cccc2C1=O\n",
      "Cc1cc(Cl)ccc1OCCCC(=O)NO\n",
      "O=c1c(O)c(-c2ccc(O)cc2O)oc2cc(O)cc(O)c12\n",
      "O=C(NNC(=O)c1nc2ccccc2[nH]1)OCc1ccccc1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)c2O[C@@H]1CN(C)C(=O)Nc1ccccc1\n",
      "C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@@H]1CN(C)Cc1cncnc1\n",
      "C[C@@H]1CCCCO[C@H](CN(C)CC2CCCCC2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3cccc4ccccc34)ccc2O1\n",
      "CCCC(=O)N1CC2(C1)CN(Cc1cccnc1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12\n",
      "CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O\n",
      "Fc1ccc(C(OCCN2CCN(CC=Cc3ccccc3)CC2)c2ccc(F)cc2)cc1\n",
      "Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F\n",
      "Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1\n",
      "O=C(CCCCCCC(=O)Nc1cccnc1)NO\n",
      "CCn1nc(Cc2cccc3ccccc23)c(C#N)c1N\n",
      "C[C@@H]1CCCCO[C@H](CN(C)C(=O)Nc2ccc3c(c2)OCO3)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2O1\n",
      "COc1ccccc1NC(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4cccc(C)c4)cc3)[C@@H]2C1\n",
      "c1ccc2nc(C3=NCCN3)cnc2c1\n",
      "CN(C)CCCO[C@H]1[C@H]([C@H](O)CO)O[C@@H]2OC(C)(C)O[C@@H]12\n",
      "CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1\n",
      "Cc1ccc(/C(=C\\CN2CCCC2)c2ccccn2)cc1\n",
      "S=P(c1ccccc1)(c1ccccc1)c1cn(Cc2ccccc2)c2cccc[n+]12\n",
      "Clc1nc(NCc2ccccc2)c2ccccc2n1\n",
      "C[C@H]1CCCCO[C@@H](CN(C)C(=O)Nc2ccccc2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2O1\n",
      "NC(=O)C1CCN(c2nc(-c3ccc(N)cc3)cs2)CC1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(F)cc3)ccc2O[C@H]1CN(C)Cc1ccccc1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)NC2CCCCC2)OCCCC[C@@H](C)Oc2ccc(NC(=O)C3CCCCC3)cc2C1=O\n",
      "N=C(NO)c1cc(O)c(O)c(O)c1\n",
      "C[C@H]1CCCCO[C@@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3cccc4ccccc34)ccc2O1\n",
      "Cc1nc2ccc(NC(=S)NCCCO)cc2nc1C\n",
      "O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2cc(F)ccc2F)O1)N1CCc2ccccc2C1\n",
      "CN(C)CC(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1\n",
      "C[C@H]1CCCCO[C@@H](CN(C)S(C)(=O)=O)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2O1\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)S(=O)(=O)c1ccccc1)O2\n",
      "CN[C@H]1[C@@H](O)[C@@H](NC)[C@H](O)[C@H]2O[C@@H]3O[C@H](C)CC(=O)[C@]3(O)O[C@H]12\n",
      "COc1ccc(NC(=O)c2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)cc1N1CCN(C)CC1\n",
      "Cc1ccc2c(=O)c3ccccc3n(CCCN)c2c1C\n",
      "COc1cccc(Nc2ccc(N3CCCCC3)cc2)c1OC\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)OCc2cnnn2CCCC1=O\n",
      "CO[C@H]1CC[C@H]2CCN(C)C(=O)[C@H](C)[C@@H](OC)CN(C)C(=O)c3cc(C#N)ccc3OC[C@H]1O2\n",
      "O=C(O)CCC(=O)Nc1ccccc1C(=O)O\n",
      "O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)SC(=S)N1CCS(=O)(=O)O\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(=O)Cc1ccccc1)OCCCC[C@@H](C)O2\n",
      "CC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3C=C(C)C4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)c2cccc(F)c2)Oc2ncc(C3=CCCCC3)cc2C1=O\n",
      "Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1\n",
      "CC(=O)Oc1ccc(-c2cc(=O)c3c(OC(C)=O)cc(OC(C)=O)cc3o2)cc1\n",
      "CC(C)c1ccccc1S(=O)(=O)c1cc(N)c2ncccc2c1[N+](=O)[O-]\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(-c3ccc(C#N)cc3)cnc2O[C@H]1CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1\n",
      "O=C(CCNNC(=O)c1ccncc1)NCc1ccccc1\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Cc1c(NC(=O)COc2ccc(Br)cc2)cccc1-c1nc2cc(Cl)ccc2o1\n",
      "N=C(N)c1ccc(N2CCN(C3CCN(CC(=O)O)CC3)CC2)cc1\n",
      "O=C(C1CCOCC1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CC4CCCCC4)cc3)[C@@H]2C1\n",
      "C[C@H]1CCCCO[C@@H](CN(C)C(=O)NC2CCCCC2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2O1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(C3=CCCC3)cnc2O[C@@H]1CN(C)Cc1ccccc1F\n",
      "Cc1ccc(-n2c(N)c(C#N)c(-c3ccc(Cl)cc3)c(C#N)c2=O)cc1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O\n",
      "Fc1ccc(C(c2ccc(F)cc2)N2CCN(CC=Cc3ccccc3)CC2)cc1\n",
      "Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21\n",
      "Cc1cnc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)cn1\n",
      "Cn1c(N)c(C#N)c(-c2ccccc2)c(C#N)c1=O\n",
      "N#C/C(=C(/N)Sc1ccc(N)cc1)c1ccccc1C(F)(F)F\n",
      "COc1cc(O)c(C(C)=O)c(OC)c1\n",
      "COC(=O)c1cn(-c2cccc(N)c2)nn1\n",
      "Cc1ccc(S(=O)(=O)N(C)C[C@@H]2OCCCC[C@H](C)Oc3ccc(NC(=O)Nc4ccccc4)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1\n",
      "CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1\n",
      "C[C@H]1CCCCO[C@H](CN(C)CC2CCCCC2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O1\n",
      "N#CC(=Cc1ccc(O)c(O)c1)C(=O)NCc1ccccc1\n",
      "O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccccn1\n",
      "CNC[C@@H]1Oc2cc(C#CCN(C)C)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C\n",
      "Cc1onc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1[N+](=O)[O-]\n",
      "COCC/N=C1\\S/C(=C\\c2cc(C)n(-c3ccc(F)cc3F)c2C)C(=O)N1C\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Cc3cn(C)c4ccccc34)ccc2O[C@H]1CN(C)Cc1ccncc1\n",
      "C[C@H]1[C@H](NC(=O)C(=NOC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O\n",
      "Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc1ccc(C(F)(F)F)cc1)O2\n",
      "C[C@H]1CCCCO[C@@H](CN(C)C(=O)NC2CCCCC2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O1\n",
      "Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1\n",
      "O=C(O)CCC(=O)c1ccc(-c2ccccc2)cc1\n",
      "CCCOc1ccccc1-c1nc2nn[nH]c2c(=O)[nH]1\n",
      "O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Cc2ccccc2)O1)NC1CCC1\n",
      "COC(=O)Nc1nc2cc(C(=O)c3cccs3)ccc2[nH]1\n",
      "COc1ccccc1Nc1nc(NCCO)nc(N2CCCC2)n1\n",
      "CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1\n",
      "C[C@@H]1CN(S(=O)(=O)c2c(F)cccc2F)CCN1S(=O)(=O)c1ccc2c(c1)OCCO2\n",
      "COc1ccc(C#Cc2ccc3c(c2)[C@]2(C(=O)N3)[C@H](c3ccccc3OCCO)N3[C@H](c4ccccc4)[C@H](c4ccccc4)OC(=O)[C@H]3[C@@H]2C(=O)N2CCCCCCC2)cc1\n",
      "Cc1ccc(-c2c(C#N)c(N)n(-c3ccccc3C)c(=O)c2C#N)cc1\n",
      "O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)NCc1ccco1\n",
      "O=C(Cc1cccnc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C4=CCCCC4)cc3)[C@@H]2C1\n",
      "CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4Cc3ccccc3C(F)(F)F)cc2)c1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(=O)O)cc2)Oc2c(NC(=O)NC3CCCCC3)cccc2C1=O\n",
      "Cc1cc(C)nc(NC(=S)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1\n",
      "Cc1cc(C)nc(-n2nc(C)c(Sc3ccc(F)cc3)c2N)n1\n",
      "O=C(Cc1ccncc1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(/C=C/c2ccccc2)cc1\n",
      "Oc1nc(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2\n",
      "CC1(C)[C@@H](OC(=O)CCC(=O)O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C\n",
      "O=C(O)COc1c(C(=O)O)sc(-c2ccc(NC(=O)c3cccnc3)cc2)c1Br\n",
      "C/C(=C\\c1cc2ccccc2o1)C1Nc2cccc3cccc(c23)N1\n",
      "C[C@@H]1CCCCO[C@@H](CN(C)C)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccccc2)Oc2ncc(C3=CCCCC3)cc2C1=O\n",
      "CN(C)Cc1c(C(=O)NCCOc2ccc(C(=O)NO)cc2)oc2ccccc12\n",
      "C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)c1ccc(F)cc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O\n",
      "N/C(=N\\C(=O)c1nc(Cl)c(N)nc1N)NCc1ccc(Cl)cc1Cl\n",
      "CCCC(=O)N1CC2(CN(S(C)(=O)=O)C2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO\n",
      "CCc1ccc2c(-c3cccc(Cl)c3)nc(=O)n(CC)c2n1\n",
      "C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@@H]1CN(C)Cc1ccccc1\n",
      "Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1\n",
      "N#C[C@H]1[C@@H](c2ccc(C3=CCCCC3)cc2)[C@H](CO)N1C(=O)CN1CCOCC1\n",
      "CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C\n",
      "CNNCc1ccc(C(=O)NC(C)C)cc1\n",
      "Cc1cc(C2CCCCC2)n(O)c(=O)c1\n",
      "C#CCNC(=O)[C@H](Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)OC(C)(C)C\n",
      "C[C@@]1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)n[nH]2)c2cccn2n1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2ccccc2-c2ccccc2CO[C@@H]1CN(C)C(=O)Nc1ccc2c(c1)OCO2\n",
      "NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O\n",
      "O=C1NC(=O)c2cc(Nc3ccccc3)c(Nc3ccccc3)cc21\n",
      "CSc1nc(-c2ccccc2)nc(C(C)C)n1\n",
      "[O-][N+]c1ccc(O)c2ncccc12\n",
      "COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccccc1Cl)CC31CN(C(=O)CC2CC2)C1\n",
      "N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1\n",
      "Cc1c(C2CCN(CCc3ccccc3)CC2)noc1-c1ccc(Cl)cc1\n",
      "COc1ccc(NC(=O)N(C)C[C@@H]2OCCCC[C@H](C)Oc3ccc(NC(=O)C4CCCCC4)cc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1\n",
      "C/C=C/c1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)Cc1ccc(F)cc1)O2\n",
      "Clc1cc(Cl)c(OCC#CI)cc1Cl\n",
      "CC=CC(=O)N(CC)c1ccccc1C\n",
      "CCCN1CCC[C@@H]2Cc3nc(N)ncc3C[C@H]21\n",
      "COC(=O)c1ccccc1NC(=O)CCCOc1cc(=O)n(C)c2ccccc12\n",
      "Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1\n",
      "C[C@H]1CCCCO[C@@H](CN(C)C(=O)Cc2ccccc2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O1\n",
      "CCOc1ccc(CCNC(=O)Cc2ccccc2)cc1OCC\n",
      "CC(=O)N=c1sc(S(N)(=O)=O)nn1C\n",
      "CC(C)CC#Cc1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)NC4CCCC4)C[C@@H]23)cc1\n",
      "CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(OC)cc1)c1ncccn1\n",
      "O=C(NC1CCNCC1)c1n[nH]cc1NC(=O)c1c(Cl)cccc1Cl\n",
      "COc1ccc(NC(=O)N(C)C[C@@H]2Oc3ccc(NC(=O)NC(C)C)cc3CC(=O)N([C@@H](C)CO)C[C@H]2C)cc1\n",
      "C[C@@H]1CCCCO[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)NC3CCCCC3)ccc2O1\n",
      "CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OCCO)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C\n",
      "C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C\n",
      "CCCN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3\n",
      "COc1ccc(CN(C)C[C@H]2OCCCC[C@@H](C)Oc3ccc(NC(=O)C4CCCCC4)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1\n",
      "Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1\n",
      "CC(C)CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)O)C(C)C)C(C)C\n",
      "CNS(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)NC)ccc1CC2\n",
      "COc1cccc(Nc2nc(NCCO)nc(N3CCCC3)n2)c1\n",
      "Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(Cl)c3)c3ccccc23)no1\n",
      "O=C([C@@H]1N[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]2[C@H]1CO)N1CCc2ccccc2C1\n",
      "O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12\n",
      "CO[C@@H]1[C@H](N(C)C(=O)c2ccccc2)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O[C@@H]1CN(C)Cc1ccc2c(c1)OCO2\n",
      "O=C(O)C(Cl)Cl\n",
      "c1ccc(CC2CCN(c3ncnc4sccc34)CC2)cc1\n",
      "COc1ccc(CN(C)C[C@@H]2OCCCC[C@H](C)Oc3ccc(NC(=O)Cc4ccccc4)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1\n",
      "CC(=O)[C@H]1CC[C@@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@]12C\n",
      "Cc1c(O)c(C(=O)CC(C)C)c2oc3c(C(=O)CC(C)C)c(O)c(C)c(O)c3c2c1O\n",
      "CCn1nccc1C(=O)Nc1nc2ccccc2n1CCN1CCCCC1\n",
      "CCC(=O)NS(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2C)cc1\n",
      "CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(C(=O)NO)cc3)ccc2c1\n",
      "c1ccc2c(c1)CN1CCCC1=N2\n",
      "Cc1csc(CNc2ncnc3ccc(-c4ccccc4Cl)cc23)c1\n",
      "C/C=C/c1ccc([C@H]2[C@@H](CO)N(CC3CCCC3)C23CN(C(=O)CC)C3)cc1\n",
      "O=S(=O)(O)c1cc(N=C=S)ccc1/C=C/c1ccc(N=C=S)cc1S(=O)(=O)O\n",
      "CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)nn12\n",
      "CC1=C(/C=C/C(C)=C/C=C/C(C)=C\\CO)C(C)(C)CCC1\n",
      "C[C@@H]1CCCCO[C@@H](CN(C)CC2CCCCC2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(F)cc3)ccc2O1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O[C@@H]1CN(C)CC1CCCCC1\n",
      "CC(C)NC[C@H](O)COc1cccc2ccccc12\n",
      "C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)Cc1ccccc1F\n",
      "C[C@@H](O)C#Cc1ccc([C@H]2[C@H]3CN(CC4CCOCC4)CCCCN3[C@H]2CO)cc1\n",
      "N#C[C@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1c1nc(-c2ccccc2)cs1\n",
      "Oc1ccc(/C=C/c2ccccc2F)c2cccnc12\n",
      "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=NOCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O\n",
      "CCCc1cc(C(=O)N(C2CCCCC2)C2CCCCC2)no1\n",
      "c1cncc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4Cc3ccc4c(c3)OCO4)cc2)c1\n",
      "OC[C@@H]1[C@@H](c2ccc(-c3cccnc3)cc2)[C@H]2CN(CC3CCOCC3)CCCCN12\n",
      "CN1C(=O)c2cc(NC(=O)Cc3cccs3)ccc2OC[C@H]2O[C@H](CC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)CC[C@@H]21\n",
      "C[C@H](O)C#Cc1ccc([C@@H]2[C@H]3CN(C(=O)Nc4ccccc4)CCCCN3[C@H]2CO)cc1\n",
      "O=C(COc1ccc(F)c(Cl)c1)N[C@H]1CCCN(CC2CC2)C1\n",
      "COc1cc(NS(=O)(=O)c2ccc(N)cc2)ncn1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CCCC2)Oc2ncc(-c3ccc(C#N)cc3)cc2C1=O\n",
      "c1ccc(CN(Cc2ccccc2)Cc2nnc(-c3cc4ccccc4[nH]3)s2)cc1\n",
      "C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCC4=C[C@@H](OC(C)=O)CC[C@@H]4[C@H]3CC[C@@]21C\n",
      "CO[C@@H]1CN(C)C(=O)c2ccc(NS(=O)(=O)CC(F)(F)F)cc2OC[C@@H](C)N(C(=O)c2ccc3c(c2)OCO3)C[C@H]1C\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "O=C(NC(NCc1ccccn1)(C(F)(F)F)C(F)(F)F)c1cccnc1\n",
      "CCOC(=O)Oc1c(OC)cc(C(=O)O[C@@H]2C[C@@H]3CN4CCc5c([nH]c6cc(OC)ccc56)[C@H]4C[C@@H]3[C@H](C(=O)OC)[C@H]2OC)cc1OC\n",
      "CN/C(=C/[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1\n",
      "Cc1cc(-c2ccc(N=Nc3cc(S(=O)(=O)O)c4ccccc4c3N)c(C)c2)ccc1N=Nc1cc(S(=O)(=O)O)c2ccccc2c1N\n",
      "O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)c2cccnc2)O1)Nc1ccc(-c2ccccc2)cc1\n",
      "Cc1c(N=Cc2cc(Br)cc(Br)c2O)cccc1C(=O)O\n",
      "Clc1ccc(OCCOc2ccc(Br)nc2Br)c(Cl)c1\n",
      "O=C(Nc1nc2c(F)cccc2s1)c1cccs1\n",
      "Nc1ccc(CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1\n",
      "C[C@]1(Cn2ccnn2)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O\n",
      "Cc1ccc(S(=O)(=O)NC(=O)CSc2nc3ccccc3s2)cc1\n",
      "COC(=O)Cn1nc(-c2cccc(OC)c2)c2ccccc21\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2cccc3ccccc23)Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C1=O\n",
      "COC(=O)C1=C(C)NC(C)=C([N+](=O)[O-])[C@H]1c1ccccc1C(F)(F)F\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccccc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O\n",
      "Cc1ncc(CO)c(CO)c1O\n",
      "C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)C3CCC3)[C@H]2CN(CC)C(=O)CC)cc1\n",
      "Cc1c(P(=S)(c2ccccc2)c2ccccc2)c2ccccc2n1C\n",
      "CCCN(C)C[C@H]1OCCCC[C@H](C)Oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc4c(c3)OCO4)ccc2O[C@H](C)CCCCO[C@@H]1CN(C)C\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(C#Cc3cccc(F)c3)cnc2O[C@H]1CN(C)CC1CCCC1\n",
      "CC(=O)c1cccc(NC(=O)Nc2nn(Cc3c(F)cccc3Cl)cc2Br)c1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)Cc1ccc2c(c1)OCCO2\n",
      "CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCN(C)Cc3ccccc3)cc2)cc1\n",
      "CN(C)C(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4ccc(F)cc4)cc3C(=O)N2C)O1\n",
      "N#CC(=Cc1ccc(O)c(O)c1)C(=O)NCCCCc1ccccc1\n",
      "CCc1c(C)[nH]c(=S)c(C#N)c1C\n",
      "O=C(N[C@H]1C=C[C@H](CC(=O)N2CCC(Cc3ccccc3)CC2)O[C@@H]1CO)c1cnccn1\n",
      "Cc1noc(C)c1NC(=O)Nc1cccc2c1O[C@H](CN(C)Cc1ccncc1)[C@@H](C)CN([C@H](C)CO)C2=O\n",
      "Cc1ccc(-c2cnc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)CC2CCCC2)O3)cc1\n",
      "COc1ccc(/C=C/c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)cc1\n",
      "C=C1/C(=C\\C=C2/CCC[C@]3(C)[C@@H]2CC[C@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C[C@@H](O)C[C@@H]1O\n",
      "C[C@H]1CCCCO[C@@H](CN(C)CC2CCCCC2)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(F)cc3)ccc2O1\n",
      "COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCC(=O)O)C2=O)c(C)c1\n",
      "C/C=C/c1ccc([C@H]2[C@H]3CNC[C@@H]2N3C(=O)Nc2cccc(OC)c2)cc1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)CCN3CCOCC3)ccc2O[C@@H]1CN(C)Cc1ccc(-c2ccccc2)cc1\n",
      "O=C(c1ccc(Nc2nccc(-c3cc4ccccc4s3)n2)cc1)N1CCC(N2CCCC2)CC1\n",
      "O=C1CNC[C@@H]2[C@H](c3ccc(C4=CCCCC4)cc3)[C@@H](CO)N12\n",
      "COc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3c(NC(=O)NC4CCCCC4)cccc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1\n",
      "NCCc1ccc(S(N)(=O)=O)cc1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O\n",
      "C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O\n",
      "C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](O)c1ccnc2ccccc12\n",
      "Cc1ccc2c(c1)-c1ccc3cccnc3c1NS2(=O)=O\n",
      "C[C@H]1C/C=C/C[C@@H](CC(=O)NCc2ccc(Cl)cc2)C(=O)N2CCC[C@H]2CNC1=O\n",
      "O=C(CSc1nc2ccccc2c(=O)[nH]1)Nc1ccc(Br)c(Cl)c1\n",
      "Nc1ccc(S(=O)(=O)Nc2nccs2)cc1\n",
      "CC(C)CC(O)(CC(C)C)c1cn(C(=O)N(c2ccccc2)c2ccccc2)nn1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)Cc1ccc2c(c1)OCCO2\n",
      "C/C=C/c1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1)O2\n",
      "O=C(N1CCc2ccccc2C1)n1cc(C(O)(c2ccccc2)c2ccccc2)nn1\n",
      "O[C@@H]1CCCC[C@H]1N1CCC(c2ccccc2)CC1\n",
      "COc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(Cl)cc2)cc1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CCCCC2)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2C1=O\n",
      "Oc1ccc(CCc2c(F)cccc2F)c2cccnc12\n",
      "COc1ccc(C#Cc2ccc3c(c2)[C@]2(C(=O)N3)[C@H](c3ccc(OCCO)cc3)N3[C@H](c4ccccc4)[C@H](c4ccccc4)OC(=O)[C@H]3[C@@H]2C(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1\n",
      "CCC(=O)O[C@@]1(C(=O)SCF)[C@H](C)C[C@@H]2[C@H]3C[C@H](F)C4=CC(=O)C=C[C@@]4(C)[C@]3(F)[C@@H](O)C[C@]21C\n",
      "CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccnc1)CC2\n",
      "N#CC(C#N)=NNc1ccc(OC(F)(F)F)cc1\n",
      "CC[N+](C)(CC)CCC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)c3ccncc3)cc2C1=O\n",
      "CC(=O)Nc1ccc(/C(C)=N/NC(=O)C2CCCC2)cc1\n",
      "CCc1c(C(=O)OC)ncc2[nH]c3cc(OC)c(OC)cc3c12\n",
      "COc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3c(NC(=O)Nc4ccccc4)cccc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1\n",
      "Cc1cc(SCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O\n",
      "Nc1cc(N2CCCCC2)nc(N)[n+]1[O-]\n",
      "CSc1ccc(-c2cnc(N3CCC(C(N)=O)CC3)s2)cc1\n",
      "O=C(O)c1ccccc1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c(O)c(I)cc12\n",
      "CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCN(C(C)=O)C2\n",
      "O=C(Cn1sc2ccccc2c1=O)Nc1ccc(Br)cc1\n",
      "CC(C)Cc1ccc([C@H](C)C(=O)O)cc1\n",
      "O=C(OCC#CCSc1nnc(-c2cccc3ccccc23)o1)C1CCC1\n",
      "COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CN(C(=O)Nc2ccccc2F)C1\n",
      "O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1\n",
      "CCC1(C)CC(=O)NC(=O)C1\n",
      "CCOCCn1c(N2CCCN(C)CC2)nc2ccccc21\n",
      "NC[C@H]1CC[C@H](C(=O)O)CC1\n",
      "Cc1ccc(S(=O)(=O)/C=C/C#N)cc1\n",
      "COc1ccc(S(=O)(=O)N(C)C[C@@H]2Oc3c(cccc3N(C)C)C(=O)N([C@H](C)CO)C[C@H]2C)cc1\n",
      "Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@H](C)O2\n",
      "Cc1csc(CNc2ncnc3ccc(-c4cccnc4)cc23)c1\n",
      "CN1CCN(C(=O)c2nc3ccc(Cl)cc3[nH]2)CC1\n",
      "O=C1c2ccccc2-c2c(NCCc3ccccc3)c(=O)[nH]c3cccc1c23\n",
      "Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(C#CCN(C)C)cnc2O[C@@H]1CN(C)Cc1ccccc1F\n",
      "O=C1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21\n",
      "COc1ccc(C(c2ccc(OC)cc2)N2CCN(C(=O)c3noc(C)c3[N+](=O)[O-])CC2)cc1\n",
      "C/C=C/c1ccc([C@H]2[C@H](CO)N3CCCCN(C(=O)Nc4ccc(OC)cc4)C[C@@H]23)cc1\n",
      "CC(C)n1nnc2cc(C(=O)O)ccc21\n",
      "COc1cccc2c(NCc3ccccc3)nc(-n3c(N)nc4cc(Cl)c(Cl)cc43)nc12\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc3c(c2)OCO3)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O\n",
      "CN1CCN(C(=O)C[C@H]2CC[C@H]3[C@@H](COC[C@@H](O)CN3C(=O)c3ccccc3F)O2)CC1\n",
      "C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3)cc2O[C@H]1CN(C)Cc1cccc(F)c1\n",
      "Clc1ccc(CSc2nnc(-c3ccncc3)o2)c(Cl)c1\n",
      "C/C(=C\\C(=O)OCCCCCCCCC(=O)O)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O\n",
      "CCC(=O)N(C)C[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(=O)Cc1ccncc1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O[C@@H]1CN(C)C\n",
      "CC(C)(C)[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C#N)CC(=O)O\n",
      "COCC(=O)N1[C@H](C#N)[C@@H](c2ccc(C3=CCCCC3)cc2)[C@@H]1CO\n",
      "O=C(C[C@@H]1CC[C@H]2NC[C@H](O)COC[C@@H]2O1)Nc1nccs1\n",
      "O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2cccc(C(F)(F)F)c2)O1)NCCc1ccncc1\n",
      "C/C=C1\\[C@@H]2C=C(C)C[C@@]1(N)c1ccc(=O)[nH]c1C2\n",
      "OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1\n",
      "O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccc(Oc3ccccc3)cc2)O1)N1CCN(c2ccccc2)CC1\n",
      "CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(Br)cc2)[C@@H]2OC(=O)[C@H](Cc3cccc(Br)c3)C/C=C/C[C@@H](Cc3cccc(Br)c3)C(=O)O[C@@H]12\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc3c(c2)OCCO3)OCc2cn(nn2)CCCC1=O\n",
      "CC(=NOC(=O)c1ccc(I)cc1)c1nccs1\n",
      "CN(C)CCCN1c2ccc([N+](=O)[O-])cc2CCc2cc([N+](=O)[O-])ccc21\n",
      "O=C(NCc1ccccc1)c1cccc(-n2sc3ccccc3c2=O)c1\n",
      "COc1cccc(S(=O)(=O)N(C)C[C@@H]2Oc3cc(C4=CCCC4)ccc3S(=O)(=O)N([C@@H](C)CO)C[C@@H]2C)c1\n",
      "Cc1ccnc2c1NC(=O)c1cccnc1N2C1CC1\n",
      "c1ccc2sc(C3(N4CCCCC4)CCCCC3)cc2c1\n",
      "CN(C)CCCSc1ccccc1NC(=O)C=Cc1ccccc1\n",
      "COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C)CC31CCN(C(=O)c2ccccc2F)CC1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccccc2)Oc2cc(C#CC3CC3)ccc2S1(=O)=O\n",
      "Cc1ccccc1-c1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc1ccncc1)O2\n",
      "O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O\n",
      "COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC\n",
      "C[C@H]1CCC[C@@H](C)N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1\n",
      "COc1cccc(CCc2ccccc2OCC[C@@H]2C[C@@H](O)CN2C)c1\n",
      "COc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OC\n",
      "COC1=CC(c2cc3ccccc3[nH]2)=N/C1=C\\c1[nH]c(C)cc1C\n",
      "FC(F)(F)c1cccc(-c2noc(-c3cc(-c4ccccc4)c(C(F)(F)F)s3)n2)c1\n",
      "N#CC(C#N)=NNc1cccc(Cl)c1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)CC2CC2)Oc2cc(-c3ccc(C#N)cc3)ccc2S1(=O)=O\n",
      "COc1ccc(S(=O)(=O)n2nc(OC(=O)c3ccccc3)cc2N)cc1\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)CC(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)CC1CC1)O2\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(F)cc2)Oc2c(NC(=O)Nc3cccc4ccccc34)cccc2C1=O\n",
      "CN1CCN(C2=Nc3cc(F)ccc3Cc3ccccc32)CC1\n",
      "COc1ccccc1-c1cc2nc(-c3ccccc3)cc(N3CCN(C(=O)c4ccco4)CC3)n2n1\n",
      "CCC1=C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@](C(=O)OC)(C2)[C@H]13\n",
      "C[C@@H]1CCCCO[C@@H](CN(C)CC2CC2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)c3ccccc3)ccc2O1\n",
      "FC(F)(F)c1cc(CO[C@H]2CCCN[C@H]2c2ccccc2)cc(C(F)(F)F)c1\n",
      "C[C@H]1CCCCO[C@@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)NC3CCCCC3)ccc2O1\n",
      "CCOC(=O)Nc1nc2ccccc2[nH]1\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "COc1cc(C(=O)O)cc(OC)c1OC\n",
      "CCCN(C)C[C@H]1Oc2ncc(C#CCN(C)C)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C\n",
      "CCN(CC)CCOC(=O)c1cc(Cl)c(N)cc1OC\n",
      "Oc1ccc(-c2nn[nH]n2)c2cccnc12\n",
      "CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C)oc2cc1OC(C)=O\n",
      "C[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(O)O\n",
      "O=C(C[C@H]1CC[C@@H](NC(=O)CC2CC2)[C@@H](CO)O1)NCc1ccc(Cl)cc1\n",
      "Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1\n",
      "C[C@H]1CCCCO[C@H](CN(C)S(=O)(=O)c2ccccc2)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCCN(C)C)ccc2O1\n",
      "O=C(Nc1cc(F)ccc1F)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2Cc1cccnc1\n",
      "COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(OC)cc2)O3)cc1\n",
      "CCCN(CCC)CCc1cccc2c1CC(=O)N2\n",
      "CC(C)C[C@@H](/C=C/S(C)(=O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1\n",
      "CO[C@H]1CC[C@@H]2CCN(C)C(=O)[C@@H](C)[C@H](OC)CN(C)C(=O)c3cccc(C#N)c3OC[C@@H]1O2\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)Cc3ccccc3)ccc2O[C@@H]1CN(C)Cc1ccc(C(F)(F)F)cc1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2ccccc2-c2ccccc2CO[C@@H]1CN(C)C(=O)[C@H](Cc1ccccc1)N(C)C\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)Nc3ccc(F)cc3)ccc2O[C@H]1CN(C)CC1CCCCC1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)CC2CCCCC2)Oc2ccc(NC(=O)CCCN(C)C)cc2C1=O\n",
      "COC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4cc(F)cc(F)c4)cc3C(=O)N2C)O1\n",
      "O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)c2ccncc2)O1)NCc1cccc(F)c1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O[C@H](C)CCCCO[C@@H]1CN(C)C(=O)Nc1cccc2ccccc12\n",
      "Cc1ccc(-c2csc(NC(=O)CSc3nnc4cc(C)c5ccccc5n34)n2)cc1\n",
      "C[C@@H]1[C@@H]([Si](C)(C)F)[C@H](CCO)O[C@@]12C(=O)N(Cc1ccc(N3CCCCC3=O)cc1)c1ccccc12\n",
      "O=C(O)Cc1sc(-c2ccccc2)nc1-c1ccc(Cl)cc1\n",
      "C[C@H]1CCCCO[C@H](CN(C)C(=O)CCCN(C)C)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)NC2CCCCC2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O\n",
      "N#C[C@@H]1[C@H](c2ccccc2C2=CCCCC2)[C@H](CO)N1C(=O)NC1CCCCC1\n",
      "COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#CCC(C(=O)OC)C(=O)OC)ccc31)[C@H](c1ccc(OCCO)cc1)N1[C@H](c3ccccc3)[C@H](c3ccccc3)OC(=O)[C@H]1[C@@H]2C(=O)N1CCN(c2ncccn2)CC1\n",
      "Cc1c[nH]c(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)n1\n",
      "Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1\n",
      "O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2CC2CCCC2)O1)NCc1ccc(Cl)cc1\n",
      "O=[N+]([O-])c1ccc2c(N=Nc3ccc4ccccc4c3O)c(O)cc(S(=O)(=O)O)c2c1\n",
      "Cc1csc(NC(=O)c2ccc(COc3ccc(Cl)c(Cl)c3)o2)n1\n",
      "Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)CC1CC1)OCCCC[C@H](C)O2\n",
      "CC(=O)c1ccc2c(c1)N(CCCN1CCC(CCO)CC1)c1ccccc1S2\n",
      "[N-]=[N+]=NCc1ccccc1C[C@]1(C(=O)NCc2ccccc2)N=C(c2ccc(OCCCO)cc2)O[C@H]1c1ccccc1\n",
      "C=C[C@](C)(CC[C@@]1(C)[C@H](C)C[C@H](O[C@@H]2O[C@@H](C)[C@H](O[C@@H]3O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@@]2(C)C(C)=CCC[C@H]12)O[C@@H]1O[C@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O\n",
      "COc1ccccc1CN1CCN(Cc2cccnc2)CC1\n",
      "Fc1ccccc1-c1ccc([C@H]2[C@H]3CN(Cc4ccccn4)C[C@@H]2N3)cc1\n",
      "COc1ccccc1CN1C(=O)c2ccccc2[C@@]2(Cc3ccccc3N(CC(F)(F)F)C2=O)[C@@H]1c1ccc(CO)cc1\n",
      "COc1cc(CNC(=O)CCCC/C=C\\C(C)C)ccc1O\n",
      "CCOc1ccccc1C(=O)Oc1c(S(=O)(=O)c2ccc(C)cc2)c(C)nn1-c1ccccc1\n",
      "COc1c(C(=O)/C=C/c2ccccc2)ccc2c1C=CC(C)(C)O2\n",
      "C[C@@H]1CCCCO[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O1\n",
      "C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)Cc1cccnc1\n",
      "CN(C)c1ccc2nc3ccc(N(C)C)cc3[s+]c2c1\n",
      "CN(C)c1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NCc3ccc(Oc4ccccc4)cc3)O[C@@H](CO)[C@@H]1O2\n",
      "COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)CC2CCCCC2)OCCCC[C@H](C)O3)cc1\n",
      "CC(C)C(=O)c1c(C(C)C)nn2ccccc12\n",
      "COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)CC2CC2)OCCCC[C@@H](C)O3)cc1\n",
      "Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc2)cc1\n",
      "CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F\n",
      "C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#CC3CCCC3)cc2O[C@@H]1CN(C)C(=O)Nc1cc(F)ccc1F\n",
      "Nc1ccccc1NC(=O)c1ccc(CNc2nccc(-c3cccnc3)n2)cc1\n",
      "C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)CC1CCCC1\n",
      "CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21\n",
      "CCc1cccc(NC(=O)O[C@H]2[C@H](OC(=O)Nc3ccccc3-c3ccccc3)[C@@H](OC(=O)Nc3ccccc3-c3ccccc3)[C@@H](OC)O[C@@H]2CO)c1\n",
      "CC(C)NC(=O)N(C)C[C@H]1OCCCC[C@H](C)Oc2ccc(NC(=O)CCC(F)(F)F)cc2C(=O)N([C@H](C)CO)C[C@H]1C\n",
      "COc1ccc([Si](C)(C)[C@@H]2[C@@H](CC(=O)N(CCO)Cc3ccccc3)O[C@]3(C(=O)N(Cc4ccc(N5CCOC5=O)cc4)c4ccccc43)[C@H]2C)cc1\n",
      "CCCOc1ccccc1-c1nc2[nH]nnc2c(=O)[nH]1\n",
      "Cn1c2c(c3ccccc31)CCNCC2\n",
      "N#Cc1ccc2cc(Br)c(C(F)(F)P(=O)(O)O)cc2c1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)Nc3ccccc3)ccc2O[C@@H]1CN(C)Cc1ccc(C(F)(F)F)cc1\n",
      "C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)C(=O)Cc1cccnc1\n",
      "C[C@@H]1C/C=C/CCC(=O)N[C@H](c2ccccc2)CC(=O)O1\n",
      "O=C(NC1=C(N2CCN(c3ccccc3)CC2)C(=O)c2ccccc2C1=O)c1ccccc1\n",
      "CCCN1CCc2cc(O)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3\n",
      "CN1C(=O)OC(C)(C)C1=O\n",
      "Cc1ccc(OCCOc2ccc(Cl)cc2Cl)c(Br)n1\n",
      "C[C@@](O)(COc1ccc(C#N)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(=O)O)cc2)Oc2ccc(NC(=O)Cc3ccccc3)cc2C1=O\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)Cc1ccccc1)OCCCC[C@@H](C)O2\n",
      "c1ccc(-c2n[nH]c3c2oc2ccccc23)cc1\n",
      "CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(C(=O)c2cccnc2)C[C@H]1C\n",
      "CCCC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)Nc1cccc(F)c1)O2\n",
      "O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccc(F)cc2)O1)N1CCc2ccccc2C1\n",
      "O=C(C[C@@H]1CC[C@H](NC(=O)C2CC2)[C@@H](CO)O1)Nc1ccccc1\n",
      "CCS(=O)(=O)N1CC2(CN(C(=O)c3ccc(F)cc3)[C@@H](CO)c3[nH]c4cc(OC)ccc4c32)C1\n",
      "Cc1ccc(S(=O)(=O)N2C[C@@H](O)COC[C@H]3O[C@H](CC(=O)NCc4ccc5c(c4)OCO5)CC[C@@H]32)cc1\n",
      "O=C1NC(=S)N(c2cccc3ccccc23)C(=O)/C1=C/c1c[nH]c2ccccc12\n",
      "COc1cccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)[C@H]2CC[C@H](CC(=O)N[C@@H](C)c4ccccc4)O[C@H]2CO3)c1\n",
      "COc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CO)N(C)c4ccc(-c5ccc(F)cc5)cc4[C@@H]32)cc1\n",
      "CC(=O)Nc1ccc(NS(C)(=O)=O)cc1\n",
      "O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@H]2[C@H](CO)O1)NCc1cccnc1\n",
      "C/N=C1/S/C(=C/c2cc(C)n(Cc3ccccc3)c2C)C(=O)N1C\n",
      "CCOc1ccccc1Nc1nc(N2CCCC2)nc(N2CCOCC2)n1\n",
      "O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1\n",
      "O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)c2cccnc2)O1)Nc1ccc(-c2ccccc2)cc1\n",
      "Nc1ncnc2c1cnn2-c1ccccc1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O[C@H]1CN(C)CC1CCCCC1\n",
      "CN(CCc1ccc(Cl)c(Cl)c1)CCN1CCCC1\n",
      "C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O\n",
      "COc1cccc(-c2cc(N3CCN(C(=O)c4ccoc4)CC3)n3nc(-c4cccc(Cl)c4)cc3n2)c1\n",
      "Cc1ccsc1CN(C)c1ncnc2ccc(-c3ccoc3)cc12\n",
      "CC(=O)OCC(=O)[C@@]1(OC(C)=O)[C@@H](C)C[C@@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C\n",
      "Oc1c(Cl)cc(Cl)c2cccnc12\n",
      "C[C@H]1CCCCO[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3cccc4ccccc34)ccc2O1\n",
      "CCC(=C(CC)c1ccc(O)cc1)c1ccc(O)cc1\n",
      "C/N=C1/S/C(=C/c2cc(C)n(-c3ccc(Cl)cc3F)c2C)C(=O)N1C\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CCCCC2)OCCCC[C@@H](C)Oc2ccc(NS(C)(=O)=O)cc2C1=O\n",
      "COc1cccc2c1cc([N+](=O)[O-])c1c(C(=O)O)cc3c(c12)OCO3\n",
      "CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]21\n",
      "O=C(Oc1cccc(/C=N/Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)c1)c1ccco1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@H]1CN(C)S(=O)(=O)c1ccccc1C#N\n",
      "CC(C)c1ccc(Cn2ccc3c4c(N)nc(NC5CC5)nc4ccc32)cc1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(C#Cc3ccncc3)cnc2O[C@@H]1CN(C)CC1CCOCC1\n",
      "C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)C(=O)CC1CC1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccccn2)Oc2cc(C#CCN(C)C)ccc2S1(=O)=O\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)Nc3ccc(F)cc3)ccc2O[C@@H]1CN(C)CC1CCCCC1\n",
      "O=S(=O)(NC[C@H]1CC[C@H](NS(=O)(=O)c2c(F)cccc2F)CC1)c1ccc2c(c1)OCCO2\n",
      "COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)O)C[C@@H]3C[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1\n",
      "COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1\n",
      "C[C@@H](O[C@@H]1OCCN(Cc2nc(=O)[nH][nH]2)[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1\n",
      "Oc1c(Br)cc(Br)cc1C=NN1CCN(Cc2ccccc2)CC1\n",
      "CN(C)CCCNc1c2c(=O)n(C)c(=O)nc-2n(C)c2ccccc12\n",
      "COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1\n",
      "C[C@H](NC(=O)/C(C#N)=C/c1ccc(O)c(O)c1)c1ccccc1\n",
      "C[C@H]1CCCCO[C@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2O1\n",
      "C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)C(=O)C1CCCCC1\n",
      "O=C(/C=C/c1ccc(O)c(O)c1)c1ccc(O)cc1O\n",
      "C/C=C/c1ccc([C@H]2[C@@H](CO)N(c3nc(CC)cs3)[C@H]2CNC(C)C)cc1\n",
      "COc1ccc(S(=O)(=O)N[C@@H]2C=C[C@@H](CC(=O)NCCc3ccncc3)O[C@@H]2CO)cc1\n",
      "CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(C3=CCCCC3)cnc2O[C@@H]1CN(C)Cc1ccccc1\n",
      "Cc1ccc(NC(=O)CCC(=O)N/N=C/c2ccc(C)o2)c(C)c1\n",
      "CC(=O)OCC(=O)[C@@]1(OC(C)=O)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "CC(=O)OCCNC(=O)c1cccnc1\n",
      "CNC[C@@H]1OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C\n",
      "C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@@H]1CN(C)C(=O)CC1CC1\n",
      "CCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1\n",
      "O=S(=O)(c1ccccc1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2CC1CCCC1\n",
      "O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@H]2[C@H](CO)O1)NCCc1ccccc1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2O[C@H](C)CCCCO[C@@H]1CN(C)C(=O)C1CCCCC1\n",
      "O=C(NCc1ccccc1)C1CCN(c2nc(-c3ccc(Br)cc3)cs2)CC1\n",
      "O=C(/C=C/c1cccc(S(=O)(=O)Nc2ccccc2)c1)NO\n",
      "N=C(N)SCCc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1\n",
      "O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CCNC2)C(F)(F)F\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2O[C@H]1CN(C)Cc1ccc(C(F)(F)F)cc1\n",
      "CCCn1c(C)c(C(=O)c2cccc3ccccc23)c2ccccc21\n",
      "O=C1CNC[C@@H]2[C@H](c3ccc(C4=CCCCC4)cc3)[C@H](CO)N12\n",
      "CNC[C@@H]1OCCCC[C@H](C)Oc2ccc(NC(=O)NC(C)C)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C\n",
      "CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\\[C@@H]2C[C@@]2(CNS(=O)(=O)C2CC2)NC(=O)[C@@H]2C[C@@H](OC(=O)N3Cc4cccc(F)c4C3)CN2C1=O\n",
      "Cc1ccc(NC(=O)CCC(=O)NN=Cc2ccc([N+](=O)[O-])o2)cc1C\n",
      "COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)O)cc1OC\n",
      "CN1CCC(c2c[nH]c3ccc(O)cc23)CC1\n",
      "NCCc1ccccn1\n",
      "CN1c2ccc(C#Cc3cccnc3)cc2[C@H]2[C@H](CCN2C(=O)Nc2cc(F)ccc2F)[C@@H]1CO\n",
      "O=C1Nc2ccccc2/C1=C1/Nc2ccccc2C1=O\n",
      "CCC(=O)N(c1ccccc1)C1CCN(CCc2ccc(N=C=S)cc2)CC1\n",
      "C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)Cc1cccnc1\n",
      "Cc1ccc(CN2C(=O)[C@@H]3Cc4c([nH]c5ccccc45)C(C)(C)N3C2=O)cc1\n",
      "CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4\n",
      "COc1cccc(-c2cnc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)Cc2ccc(F)cc2)O3)c1\n",
      "CCOc1ccc(-c2csc(N3CCC(C(N)=O)CC3)n2)cc1\n",
      "COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CN(Cc2cc(F)ccc2F)C1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)CC2CC2)Oc2cc(C3=CCCCC3)ccc2S1(=O)=O\n",
      "Cc1ccc(Sc2c([N+](=O)[O-])c(=O)oc3ccccc23)cc1\n",
      "CCCOc1ccc(Br)cc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1\n",
      "CCCCC/C=C\\C/C=C\\C/C=C\\CCCCC(=O)O\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Nc2ccccc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)C3CCCCC3)cc2C1=O\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)Nc3ccccc3)c2O[C@@H]1CN(C)Cc1ccc(Cl)c(Cl)c1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(N(C)C)ccc2O[C@H]1CN(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1\n",
      "C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O\n",
      "CC(C)=CCN(C(=O)C#Cc1ccccc1)[C@H](CO)c1ccccc1\n",
      "CC(C)NC(=O)N(C)C[C@H]1OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)C3CCCCC3)cc2C1=O\n",
      "C=C(N)c1cc2c(-c3cccc(-c4ccccc4)c3)cnc(N)c2s1\n",
      "CNC(C)(C)Cc1ccccc1\n",
      "C[C@H]1CCCCO[C@@H](CN(C)C(=O)Nc2cccc3ccccc23)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O1\n",
      "CCCOc1cc(N)ccc1C(=O)OCCN(CC)CC\n",
      "COc1ccccc1C#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)C4CCC4)C[C@@H]23)cc1\n",
      "C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(OC)cc(C)cc1OC\n",
      "O=S(=O)(c1ccccc1F)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2cncnc2)cc1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O[C@H](C)CCCCO[C@@H]1CN(C)C(=O)C1CCCCC1\n",
      "C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)C(=O)C1CCC1\n",
      "OC[C@@H]1[C@@H](c2ccc(-c3cccnc3)cc2)[C@@H]2CN(CC3CCOCC3)CCCCN12\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2O[C@H](C)CCCCO[C@H]1CN(C)C(=O)CCC(F)(F)F\n",
      "CC(C)(C)CCN1CCC[C@H](NC(=O)COc2ccc(F)c(Cl)c2)C1\n",
      "CC(C)(C)[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C#N)CC(=O)O\n",
      "C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O\n",
      "C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O\n",
      "COc1ccccc1NC(=O)N1C[C@H](O)COC[C@@H]2O[C@H](CC(=O)N3CCC(Cc4ccccc4)CC3)CC[C@H]21\n",
      "CCCN(C)C[C@H]1Oc2cc(C3=CCCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C\n",
      "CCOc1ccc2ccccc2c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12\n",
      "COc1ccc(/C=C/C(=O)NC2=NCCS2)c(OC)c1\n",
      "CCOC(=O)C1(c2ccccc2)CCN(Cc2cccc(C(=O)O)c2)CC1\n",
      "CCCN(CCC)CCNC(=O)C1CCN(Cc2nc(-c3ccc(Cl)cc3)oc2C)CC1\n",
      "CNC(=NC#N)NCCSCc1nc[nH]c1C\n",
      "C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O\n",
      "COc1ccc(CN(C)C[C@@H]2Oc3ccc(NC(=O)c4ccncc4)cc3CC(=O)N([C@H](C)CO)C[C@@H]2C)cc1\n",
      "Nc1nc(=O)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2[nH]1\n",
      "CC1(C)O[C@@H]2C[C@H]3[C@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1\n",
      "CCN(c1ccccc1)c1cc(NC)[n+](C)c(C)n1\n",
      "Oc1ccc(CNc2ccccc2Cl)c2cccnc12\n",
      "CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCCNC2\n",
      "C#CCCC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCN(C(C)C)C2\n",
      "CC(=O)N/N=C(\\C)c1ccc(NC(=O)C2CC2)cc1\n",
      "CNCCNS(=O)(=O)c1cccc2cnccc12\n",
      "N#C[C@@H]1[C@@H](c2ccc(C3=CCCCC3)cc2)[C@H](CO)N1C(=O)Cc1ccncc1\n",
      "COc1ccc(C#Cc2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)NC(C)C)C[C@H]34)cc2)cc1\n",
      "CC=CCn1c(SCCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C\n",
      "CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\\CCCC(=O)O)[C@H]2CO[C@@H]1C2\n",
      "O=C(O)c1ccc(-c2noc(-c3cccc(F)c3)n2)cc1\n",
      "CNCCCCOc1ccccc1Cc1ccccc1\n",
      "N#CC(=C(/N)Sc1ccccc1N)/C(C#N)=C(\\N)Sc1ccccc1N\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2O[C@H](C)CCCCO[C@H]1CN(C)S(=O)(=O)c1ccc(F)cc1\n",
      "N#Cc1c(Oc2cccc(OS(=O)(=O)CCCC(F)(F)F)c2)cccc1C(F)(F)F\n",
      "O=C1C=CC(=O)c2c1ccc1c2ccc2ccccc21\n",
      "Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3-c3ccccc3)ccc2Cl)c1\n",
      "O=C(Nc1ccc(F)cc1)N1[C@@H](CO)[C@@H]2c3ccccc3NC[C@@H]21\n",
      "CS(=O)(=O)Nc1ccc(Cc2noc(-c3ccc4[nH]cc(CCN)c4c3)n2)cc1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O[C@@H]1CN(C)S(=O)(=O)c1ccc(Cl)cc1\n",
      "c1cnc2cc3c(cc2n1)[C@H]1CNC[C@@H]3C1\n",
      "COc1ccc(C2=Nn3c(nnc3-c3ccccc3F)SC2)cc1OCC1CC1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccccn2)Oc2cc(C3=CCCCC3)ccc2S1(=O)=O\n",
      "Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccc(C#N)cc3)co2)n1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)Cc3ccccc3)ccc2O[C@@H]1CN(C)CC1CCCCC1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)NC2CCCCC2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O\n",
      "Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1\n",
      "CCc1cccc(CC)c1N=C1NCCN1\n",
      "CN1CCN(c2nc3cc(C(F)(F)F)ccc3n3cccc23)CC1\n",
      "C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O\n",
      "CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1\n",
      "O=C(O)c1ccccc1OCc1ccccc1Br\n",
      "Cc1cncc2cccc(S(=O)(=O)N[C@H]3CN[C@H](CO)C3)c12\n",
      "O=C(O)c1ccc(CSc2nc(O)c3c(n2)CCC3)cc1\n",
      "CCS(=O)(=O)N1CCC2(CC1)CN[C@@H](CO)c1c2c2ccc(OC)cc2n1C\n",
      "COc1ccc2c3c([nH]c2c1)[C@H](CO)NCC31CCN(C(=O)Cc2cccnc2)CC1\n",
      "CO[C@H]1CC[C@H]2CCOc3c(C#N)cccc3C(=O)N(C)C[C@H](c3ccccc3)CC(=O)N(C)C[C@H]1O2\n",
      "c1ccc(Cn2ncc3c(N4CCN(c5ccccc5)CC4)ncnc32)cc1\n",
      "C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)c1cccc(F)c1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O\n",
      "C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccncc3)cc2O[C@H]1CN(C)Cc1ccccc1\n",
      "Cc1cccc(C)c1NC(=O)C1(N(Cc2ccccc2)C(=O)c2ccc(-n3cnnn3)cc2)CCCC1\n",
      "Cc1cc(-c2ccc(F)cc2)n2ncc(-c3ccccc3)c2n1\n",
      "O=C1CN=C(c2ccc[nH]2)c2cc(Cl)ccc2N1\n",
      "CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)C=CC(C)=C[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC\n",
      "CC(C)(Oc1ccc(Cl)cc1)C(=O)O\n",
      "CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@H]4CN(S(=O)(=O)c5ccccc5F)C[C@@H]3N4)cc2)c1\n",
      "COc1ccc(Nc2nc(NCCO)nc(N3CCCC3)n2)cc1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCN3CCOCC3)ccc2O[C@H]1CN(C)S(=O)(=O)c1cn(C)cn1\n",
      "Cc1cc(C)nc(NC(=S)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c1\n",
      "O=C1Nc2ccccc2/C1=C1/Nc2ccccc2/C1=N\\O\n",
      "O=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)c2ccccc2)Oc2cc(C3=CCCC3)ccc2S1(=O)=O\n",
      "C[C@H]1CCCCO[C@H](CN(C)CC2CCCCC2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O1\n",
      "C[C@H]1CCCCO[C@H](CN(C)CC2CCCCC2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3cccc4ccccc34)ccc2O1\n",
      "C[C@H]1CCCCO[C@@H](CN(C)C(=O)Nc2ccc(F)cc2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2O1\n",
      "Nc1nonc1-n1nnc(C(=O)NN=Cc2ccccc2Br)c1CN1CCCC1\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)C)O2\n",
      "N#Cc1cc(-c2ccnc(Nc3ccc(-n4cnc(-c5cccnc5)n4)cc3)n2)cc(N2CCOCC2)c1\n",
      "O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21\n",
      "CN1CC[C@@H](c2ccc(F)cc2)[C@H](COc2ccc3c(c2)OCO3)C1\n",
      "COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C\n",
      "CN1c2ccccc2Sc2cc(N)ccc21\n",
      "Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O\n",
      "COc1cc(/C=N/n2c(S)nnc2-c2ccccc2)ccc1O\n",
      "c1ccc2c(c1)CCCc1cc(NCCN3CCOCC3)nnc1-2\n",
      "CC(=O)N[C@@H]1C/C=C/CCCOC(=O)[C@@H]2CCCN2C1=O\n",
      "C[C@@H]1CCCCO[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc4c(c3)OCO4)ccc2O1\n",
      "CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1\n",
      "CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12\n",
      "CCCNC(=O)N1[C@H](C#N)[C@@H](c2ccc(C3=CCCCC3)cc2)[C@@H]1CO\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)N[C@H]3CCN(Cc4ccccc4)C3)O[C@@H]1CO2\n",
      "O=c1cc(N2CCN(c3ccnc4cc(Cl)ccc34)CC2)[nH]c(=O)n1C1CCCCC1\n",
      "N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F\n",
      "C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CCN(C)C)cc2O[C@H]1CN(C)Cc1ccccn1\n",
      "COc1ccc(C(=O)OCC#CCSc2nnc(-c3cccc4ccccc34)o2)cc1\n",
      "O=C1CNC[C@@H]2[C@@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H](CO)N12\n",
      "NC(=O)CN1CCCC1=O\n",
      "COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1\n",
      "Cn1cc(-c2ccc3nnc(Sc4ccc5ncccc5c4)n3n2)cn1\n",
      "CCCCCCCN(C(=O)CCl)c1cccc(C)c1\n",
      "CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C\n",
      "O=C(O)C=Cc1ccc(Cn2ccnc2)cc1\n",
      "COc1ccc(C=CC(=O)Nc2ccccc2C(=O)O)cc1OC\n",
      "CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1\n",
      "Clc1cncc(N2CCNCC2)n1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O[C@@H]1CN(C)S(=O)(=O)c1ccc(F)cc1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Cc3ccccc3)cc2C1=O\n",
      "Cc1ccc(S(=O)(=O)N(C)C[C@@H]2Oc3cc(C4=CCCC4)ccc3S(=O)(=O)N([C@@H](C)CO)C[C@H]2C)cc1\n",
      "Nc1nc(NCCc2ccc(O)cc2)nc2nc(-c3ccco3)nn12\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccccc2F)Oc2cc(C3=CCCC3)ccc2S1(=O)=O\n",
      "O=c1c2cc([N+](=O)[O-])ccc2sn1-c1ccccc1\n",
      "O=C1O[C@@H](c2ccccc2)[C@@H](c2ccccc2)N2[C@@H](c3ccccc3OCCO)[C@]3(C(=O)Nc4ccccc43)[C@@H](C(=O)N3CCN(c4ncccn4)CC3)[C@H]12\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(C3=CCCCC3)cnc2O[C@H]1CN(C)Cc1cccc(F)c1\n",
      "C[C@H](NC(=O)C[C@H]1CC[C@@H](NS(=O)(=O)c2cccc(F)c2)[C@H](CO)O1)c1ccccc1\n",
      "CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1\n",
      "O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)c2ccccc2F)O1)N1CCOCC1\n",
      "CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCN(C(C)C)CC2\n",
      "COc1ccccc1-c1csc2ncnc(Sc3nnnn3C)c12\n",
      "Cc1c(C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)cccc1-c1ccc(OC(F)(F)F)cc1\n",
      "N#Cc1ccc2sn(-c3ccccc3)c(=O)c2c1\n",
      "CCCN(C)C[C@H]1Oc2cc(-c3ccc(C)cc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C\n",
      "Cc1ccc(-c2ccc3c(c2)O[C@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](C)CN([C@H](C)CO)S3(=O)=O)cc1\n",
      "O=C(O)CCC(=O)Nc1ccc(Br)c2cccnc12\n",
      "O=C(C[C@@H]1C[C@H]2c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1\n",
      "O=C(Nc1ccc(NC(=O)c2ccccc2O)cc1)c1ccc(Cl)cc1\n",
      "COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccccc1OC)CC31CN(C)C1\n",
      "O=C(Nc1cccc(NC(=O)c2cccc(O)c2O)c1)c1cccc(O)c1O\n",
      "CCc1cnc(N2[C@@H](C#N)[C@@H](c3ccc(C4=CCCCC4)cc3)[C@@H]2CO)s1\n",
      "CC(C)c1cccc(NC(=O)C[C@H]2CC[C@H]3[C@@H](COc4ccc(NC(=O)NCc5ccccc5)cc4C(=O)N3C)O2)c1\n",
      "CN(C)C(=O)c1cccc(-n2sc3ccccc3c2=O)c1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)C(=O)Nc1cccc(Oc2ccccn2)c1\n",
      "Cc1cc(C)cc(S(=O)(=O)N2CCN(c3nc(-c4cccs4)nc4ccccc34)CC2)c1\n",
      "N#C/C(=C\\c1cccn1S(=O)(=O)c1cccc(C#N)c1)S(=O)(=O)c1ccc(F)cc1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(N(C)C)ccc2O[C@@H]1CN(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1\n",
      "O=C(NNC(=O)c1csc(-c2ccccc2)n1)c1ccccc1\n",
      "NCCc1cc[nH]n1\n",
      "C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)C(=O)C1CCC1\n",
      "CC(C)(C)[S@](=O)N1Cc2cc(C(=O)N3CCCCC3)nc(-c3cccc(-c4ccc(C#N)cc4)c3)c2[C@@H]1CCO\n",
      "COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)C1CC1)CC31CCN(Cc2cccc(F)c2)CC1\n",
      "N#Cc1sc2nc(C3CC3)cc(-c3ccc(Cl)cc3)c2c1N\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O[C@@H]1CN(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)C3CC3)ccc2O[C@@H]1CN(C)C\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2O[C@@H]1CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1\n",
      "CNCC[C@@H](Oc1ccccc1C)c1ccccc1\n",
      "CCCCC/C=C\\C/C=C\\C/C=C\\CCCCCCC(=O)O\n",
      "CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1N1CCCCC1\n",
      "CC(C)c1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)O)n2Cc1ccc(Cl)cc1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O[C@H]1CN(C)Cc1ccc(-c2ccccc2)cc1\n",
      "COc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3c(NC(=O)Nc4cccc5ccccc45)cccc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1\n",
      "Cc1cccc(S(=O)(=O)N2C[C@H](O)COC[C@H]3O[C@H](CC(=O)Nc4ccc(-c5ccccc5)cc4)CC[C@@H]32)c1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)Nc3ccccc3)ccc2O[C@H]1CN(C)Cc1ccc(C(F)(F)F)cc1\n",
      "COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC\n",
      "CN(C)c1ccc(/C=C2\\C(=O)Nc3ccccc32)cc1\n",
      "O=C(C[C@@H]1C=C[C@@H](NS(=O)(=O)c2ccccc2F)[C@@H](CO)O1)NCCCN1CCOCC1\n",
      "O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O\n",
      "O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccc(Cl)cc1\n",
      "N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12)c1ccccc1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)CC2CC2)Oc2cc(C3=CCCCC3)ccc2S1(=O)=O\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2O[C@H]1CN(C)C(=O)NC1CCCCC1\n",
      "C[C@H]1CCCCO[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2O1\n",
      "O=S(=O)(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1cccs1\n",
      "C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O\n",
      "Cc1c(N)c(=O)n(-c2ccccc2)n1C\n",
      "CCS(=O)(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccc(C(=O)N(C)C)cc4)cc3)[C@@H]2C1\n",
      "Nc1nc2ccccc2n1-c1nc(NCc2ccccc2)c2ccccc2n1\n",
      "Cc1ccc(C(=O)/N=c2/cccc[nH]2)cc1\n",
      "CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCNC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@]1(C)CCC/C=C\\CCC[C@](C)(C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC1=O\n",
      "CCCC#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)Nc1cccc(F)c1)O2\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O\n",
      "C[C@H]1CCCCO[C@@H](CN(C)C(=O)Nc2ccc3c(c2)OCO3)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)CCC(F)(F)F)ccc2O1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)C3CC3)ccc2O[C@@H]1CN(C)CC1CCCCC1\n",
      "CCN(CC)CCNC(=O)COc1ccc(OC)cc1\n",
      "Cn1cc(C(=O)C(=O)N[C@H]2CN3CCC2CC3)c2ccccc21\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc4c(c3)OCO4)ccc2O[C@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1\n",
      "COc1cc(COc2cc(N)c(Cl)cc2C(=O)CCC2CCN(CCNS(C)(=O)=O)CC2)cc(OC)c1\n",
      "Oc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1\n",
      "Cc1cccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(S(=O)(=O)c5cccc(F)c5)C[C@@H]34)cc2)c1\n",
      "C[C@H](O)C#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(CC4CCOCC4)C[C@@H]23)cc1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Cc3cn(C)c4ccccc34)ccc2O[C@H]1CN(C)Cc1ccc(-c2ccccc2)cc1\n",
      "CC(=O)N1[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]1[C@@H](C(=O)N[C@@H](C)c1ccccc1)[C@@H]2CO\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2O[C@H](C)CCCCO[C@@H]1CN(C)C(=O)Nc1ccc(F)cc1\n",
      "COC(=O)N1C(=O)[C@@](c2ccsc2)(C(C)C)N1C(=O)OC\n",
      "O=C(O)c1cc(=O)c2c(OCC(O)COc3cccc4oc(C(=O)O)cc(=O)c34)cccc2o1\n",
      "O=S(=O)(NCCCCCCNS(=O)(=O)c1c(F)cccc1F)c1ccc2c(c1)OCCO2\n",
      "C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C\n",
      "CN(C(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@@H]1N1CCCC1\n",
      "CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc1ccc(-c3ccccn3)cc1)[C@@H](C)CO2\n",
      "O=C(NNC(=O)c1ccccc1Cl)c1csc(N2CCOCC2)n1\n",
      "O=C1C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)SC(=S)N1CCS(=O)(=O)O\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)CC2CCCCC2)Oc2ncc(-c3ccc(F)cc3)cc2C1=O\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)CCC(F)(F)F)OCc2ccccc2-c2c(n(C)c3ccccc23)C1=O\n",
      "CCCCCCCCCCCCCCCC(=O)NCCc1ccc(O)c(O)c1\n",
      "N#C[C@@H]1[C@H](c2ccc(C3=CCCCC3)cc2)[C@@H](CO)N1C(=O)Cc1ccncc1\n",
      "Cc1ccc(S(=O)(=O)N(C)C[C@@H]2OCCCC[C@@H](C)Oc3ccc(NC(=O)CCCN(C)C)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1\n",
      "CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@H]4CN(S(=O)(=O)c5ccccc5F)C[C@@H]3N4)cc2)cc1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(C#Cc3ccc(C(F)(F)F)cc3)cnc2O[C@H]1CN(C)S(=O)(=O)c1ccccc1\n",
      "COc1cccc(OC)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1\n",
      "CN(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)C4CCCC4)C[C@@H]23)cc1\n",
      "OCC#CCSc1nnc(-c2cccc3ccccc23)o1\n",
      "Nc1nc2ccc(OC(F)(F)F)cc2s1\n",
      "Cc1ccc(N(CC2=NCCN2)c2ccc(O)cc2)cc1\n",
      "CCCNC(=O)N(Cc1cccnc1)C[C@H]1N[C@H](CO)[C@@H]1c1ccccc1\n",
      "N=C(NC(=O)c1nc(Cl)c(N)nc1N)Nc1ccccc1\n",
      "COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)Nc1cccc(F)c1)CC31CN(CC2CCOCC2)C1\n",
      "COCC(=O)NC[C@@H]1[C@@H](c2ccccc2)[C@@H](CO)N1C(=O)c1ccccc1\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)CCC(F)(F)F)OCCCC[C@H](C)O2\n",
      "C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@@H]3CC[C@@]21C\n",
      "O=C(NCCc1nc2ccccc2n1CCOc1ccc2cccnc2c1)C1CCCCC1\n",
      "CCCN(C)C[C@@H]1Oc2cc(C3=CCCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C\n",
      "NS(=O)(=O)c1cc2c(cc1Cl)N=C(CSCc1ccccc1)NS2(=O)=O\n",
      "Cc1nc2ccccn2c1P(=O)(c1ccccc1)c1ccccc1\n",
      "COCC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1\n",
      "COc1ccc(CN(C)C[C@H]2OCCCC[C@@H](C)Oc3ccc(NC(=O)c4ccncc4)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1\n",
      "CC(=O)NS(=O)(=O)c1ccc(N)cc1\n",
      "CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCOCC1)c1ccccc1S2\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Cc1cccc(C)c1NC1=NCCCS1\n",
      "c1ncc(-c2ccc([C@@H]3[C@H]4CN(Cc5ccc6c(c5)OCO6)C[C@@H]3N4)cc2)cn1\n",
      "O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2cccnc2)O1)Nc1ccc(-c2ccccc2)cc1\n",
      "Cc1cc(OCC(=O)Nc2nnc[nH]2)ccc1Cl\n",
      "COc1ccc(S(=O)(=O)N2C[C@H](O)COC[C@H]3O[C@@H](CC(=O)NCc4ccc(Cl)c(Cl)c4)CC[C@@H]32)cc1\n",
      "COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)Cc2ccc(-c4ccccc4)cc2)O3)cc1\n",
      "C=CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccccc1OC\n",
      "COCC(=O)N1[C@H](C#N)[C@H](c2ccc(C3=CCCCC3)cc2)[C@H]1CO\n",
      "CCCCCC=CCC=CCC=CCC=CCCCC(=O)Nc1ccc(O)cc1\n",
      "CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2nccs2)cc1\n",
      "Cc1cc(C)c(C#N)c(SCCS(=O)(=O)c2nc3ccccc3s2)n1\n",
      "O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21\n",
      "COc1ccc(CN(C)C[C@@H]2OCCCC[C@@H](C)Oc3ccc(NS(=O)(=O)c4cccs4)cc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1\n",
      "CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1\n",
      "COc1ccc(Oc2c(Cl)cnn(-c3ccc(C(C)C)c(C)c3)c2=O)cc1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)c3ccncc3)c2O[C@H]1CN(C)Cc1ccccc1\n",
      "O=C(NNC(=O)c1csc(-c2cccnc2)n1)c1ccccc1\n",
      "CCCCC/N=C(\\N)N/N=C/c1c[nH]c2ccc(OC)cc12\n",
      "CN(C)CCn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)Cc3csc(N)n3)[C@H]2SC1\n",
      "CCOC(=O)c1ccc(-c2ccc3ncnc(NCc4csc(C)n4)c3c2)o1\n",
      "N#C/C(=C\\c1cc(Cl)cc(Cl)c1)c1cccnc1\n",
      "COc1cc(CN2C[C@H]3N[C@@H](C2)[C@@H]3c2ccc(-c3cncnc3)cc2)cc(OC)c1\n",
      "CN(c1nccc(=O)[nH]1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1\n",
      "CN1C(=O)c2cc(NC(=O)Cc3cccs3)ccc2OC[C@H]2O[C@H](CC(=O)NCCc3ccncc3)CC[C@@H]21\n",
      "O=C1CCCN1CC#CCN1CCCC1\n",
      "CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(Cc5ccncc5)C[C@H]34)cc2)cc1\n",
      "CC1(C)[C@@H](OC(=O)CCC(=O)O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C\n",
      "COc1cc(/C=N/NC(=O)c2sc(N)nc2C)ccc1O\n",
      "C[C@H]1CCCCO[C@@H](CN(C)C(=O)c2ccncc2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)CCC(F)(F)F)ccc2O1\n",
      "c1ccc(Nc2nc(N3CCCC3)nc(N3CCOCC3)n2)cc1\n",
      "NC(=O)OCCCc1ccccc1\n",
      "COc1oc(=O)c2cc(N)ccc2c1Cl\n",
      "O=C(O)c1cc(-c2ccc(F)cc2F)ccc1O\n",
      "O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2S(=O)(=O)c2ccccc2F)O1)N1CCC(Cc2ccccc2)CC1\n",
      "O=C(C[C@@H]1CC[C@@H]2NC[C@H](O)COC[C@H]2O1)NCCN1CCCCC1\n",
      "Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1cncc(C(N)=O)c1\n",
      "COc1ccccc1C(=O)NNC(=O)c1csc(N2CCOCC2)n1\n",
      "CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21\n",
      "COc1ccc(C(=O)c2ccccc2O)c(O)c1\n",
      "N#Cc1nc(NCC(F)F)nc(Nc2cc(F)cc(F)c2)n1\n",
      "Cc1ccc(Cn2ncc3c(N4CCN(c5ccccc5C)CC4)ncnc32)cc1\n",
      "C/N=C(\\N)NCCC[C@H](N)C(=O)O\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)NC(C)C)OCCCC[C@H](C)O2\n",
      "COc1ccc(CN(C)C[C@@H]2OCCCC[C@H](C)Oc3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1\n",
      "Cc1ccccc1S(=O)(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#CCN(C)C)cc3)[C@@H]2C1\n",
      "Cc1ccccc1/N=N/c1ccc(NC(=O)c2ccnn2C)c(C)c1\n",
      "C[C@@H]1CC(=O)NN=C1c1ccc(Cl)cc1\n",
      "CCc1nc2oc(C(=O)c3ccccc3)c(N)c2c2c1COC(C)(C)C2\n",
      "COc1cccc(-c2ccc([C@@H]3[C@H]4CN(Cc5ccccn5)C[C@@H]3N4)cc2)c1\n",
      "N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O\n",
      "Cc1noc(C)c1NC(=O)N(C)C[C@H]1Oc2ccc(N(C)C)cc2CC(=O)N([C@@H](C)CO)C[C@H]1C\n",
      "CN(C)CCCNc1oc(-c2ccccc2F)nc1C#N\n",
      "O=c1cc(N2CCNCC2)oc2c(-c3ccccc3)cccc12\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(C#CC3CCCCC3)cnc2O[C@H]1CN(C)C(=O)Cc1ccccn1\n",
      "CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1\n",
      "C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)C(=O)c1ccc(F)cc1\n",
      "c1csc(CNc2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)n1\n",
      "C[C@H]1CCCCO[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3cccc4ccccc34)ccc2O1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(C3=CCCCC3)cnc2O[C@H]1CN(C)C(=O)Cc1ccncc1\n",
      "O=C(CCCCCN1C(=O)c2cccc3cccc(c23)C1=O)NO\n",
      "CCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCNC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@]1(C)CCC/C=C\\CCC[C@](C)(C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC1=O\n",
      "Cc1cc(Nc2cc(Cl)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)[nH]n1\n",
      "CN1C[C@@H](O)COC[C@H]2O[C@H](CC(=O)NC3CCC3)CC[C@@H]21\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(C3=CCCCC3)cnc2O[C@H]1CN(C)C(=O)c1cccc(F)c1\n",
      "CC1(C)C(=O)NN=C1c1ccc(N2CCOCC2)cc1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CCCCC2)Oc2ncc(-c3ccc(F)cc3)cc2C1=O\n",
      "C[C@H]1CCCCO[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O1\n",
      "COc1ccc(-c2nc(-c3ccc(-c4cccc(Cl)c4)o3)[nH]c2-c2ccc(OC)cc2)cc1\n",
      "Nc1nc2c(ncn2COC(CO)CO)c(=O)[nH]1\n",
      "C[C@H]1CCCCO[C@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3cccc4ccccc34)ccc2O1\n",
      "O=[N+]([O-])c1cc([As](=O)(O)O)ccc1O\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)S(C)(=O)=O)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O\n",
      "O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2ccc(Cl)cc2)O1)NCCc1ccncc1\n",
      "COc1ccc(S(=O)(=O)Nc2cccc3c2O[C@@H](CN(C)C(=O)NC2CCCCC2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1\n",
      "CC(=O)NC[C@@H]1C[C@@H](NS(=O)(=O)c2cccc3cncc(C)c23)CN1\n",
      "O=C(O)c1ccc(-c2noc(-c3ccccc3F)n2)cc1\n",
      "COc1cc(/C=C2\\SC(N)=NC2=O)ccc1O\n",
      "COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccccc1)CC31CCN(CC2CC2)CC1\n",
      "CN1CC[C@]2(c3cccc(O)c3)Cc3nc4ccccc4cc3C[C@H]2C1\n",
      "C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCC4=CC(=NO)CC[C@@H]4[C@H]3CC[C@@]21CC\n",
      "COc1ccc(S(=O)(=O)N(C)C[C@H]2OCCCC[C@@H](C)Oc3ccc(NS(=O)(=O)c4cn(C)cn4)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1\n",
      "CC(C)(C)c1ccc(-c2n[nH]c(NS(=O)(=O)c3ccccc3)c2Br)cc1\n",
      "CN1CCC(OC(c2ccccc2)c2ccccc2)CC1\n",
      "CN(C)CC[C@@H](c1ccc(Br)cc1)c1ccccn1\n",
      "C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@@H]1CN(C)C(=O)Cc1ccccc1\n",
      "CCc1nnc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)s1\n",
      "CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(Cc5cccnc5)C[C@H]34)cc2)cc1\n",
      "Cc1cnn(CC(=O)c2ccc(O)c(O)c2)c1\n",
      "O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Cc2ccccc2)O1)NC1Cc2ccccc2C1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)c3ccc(-c4nccs4)cc3)c2O[C@H]1CN(C)CC1CC1\n",
      "COc1ccc(S(=O)(=O)N(C)C[C@@H]2Oc3c(NC(=O)Nc4ccccc4)cccc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1\n",
      "Oc1ccc(CNc2ccccc2C(F)(F)F)c2cccnc12\n",
      "C[C@@]12N[C@@H](Cc3ccccc31)c1ccccc12\n",
      "Cc1ccnc(NC(=S)N2CCC(Nc3cccc(C(F)(F)F)c3)CC2)c1\n",
      "C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O\n",
      "CS(=O)(=O)OCCCCOS(C)(=O)=O\n",
      "O=C(C1CCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2CC1CC1\n",
      "CC(Cl)=CCn1c(NCCc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(N(C)C)ccc2O[C@H]1CN(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1\n",
      "O=C(CSc1ncccc1C(=O)O)c1cccc([N+](=O)[O-])c1\n",
      "COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)C1CCOCC1)CC31CCN(Cc2cccc(F)c2)CC1\n",
      "c1ccc(C(NCCNC(c2ccccc2)c2ccccc2)c2ccccc2)cc1\n",
      "CN1CCN(CC(=O)N2c3ccc(S(=O)(=O)NCCNC(=O)OC(C)(C)C)cc3C(=O)Nc3cccnc32)CC1\n",
      "Cc1ccc(F)cc1S(=O)(=O)N[C@@H]1CCN(Cc2ccc3[nH]ccc3c2)C1\n",
      "CCC[C@H](Nc1nc(-c2ccc(NC(=O)NCC)c(OC)c2)ncc1C)c1cccnc1\n",
      "Clc1ccc(CO/N=C(/Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1\n",
      "O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1\n",
      "C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#CC3CC3)cc2O[C@@H]1CN(C)Cc1ccccc1\n",
      "COc1cccc(CNc2ncnc3ccc(-c4c(C)noc4C)cc23)c1\n",
      "N#C[C@@H]1N[C@@H](CO)[C@@H]1c1ccc(C2=CCCC2)cc1\n",
      "O=C(C[C@@H]1C[C@H]2c3cc(NS(=O)(=O)c4ccccc4)ccc3O[C@H]2[C@H](CO)O1)NC1CCCCC1\n",
      "C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6C[C@@H](O)[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O\n",
      "O=C(c1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CCC4CCCC4)cc3)[C@@H]2C1\n",
      "O=C(c1ccccc1)N1CCN(c2cc(-c3ccccc3)nc3cc(-c4cccc(Cl)c4)nn23)CC1\n",
      "Cc1ccc(S(=O)(=O)N(C)C[C@@H]2OCCCC[C@@H](C)Oc3ccc(NS(=O)(=O)c4cccs4)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1\n",
      "CN(C)CCCSC(=N)N\n",
      "COc1ccc(NC(=O)N2CC(=O)N3[C@H](CO)[C@@H](c4ccc(C5=CCCC5)cc4)[C@H]3C2)cc1\n",
      "O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)c2ccccc2F)O1)NCc1ccc(Cl)c(Cl)c1\n",
      "O=C(Nc1cccc(F)c1)N[C@H]1CC[C@@H](CCNS(=O)(=O)c2cccc(Cl)c2)O[C@@H]1CO\n",
      "CC1(C)NC(=O)N(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1=O\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O[C@@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1\n",
      "O=C(O)c1cc(N(Cc2ccccc2O)Cc2cc(O)ccc2O)ccc1O\n",
      "O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cocn2)O1)NCc1cccc(F)c1\n",
      "Fc1cccc(C=NN=Cc2cccc(F)c2)c1\n",
      "COc1ccc(-c2oc3ccccc3c(=O)c2OC)cc1\n",
      "CN(C)CC#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(S(=O)(=O)c4ccccc4)C[C@@H]23)cc1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)C3CCCCC3)ccc2O[C@@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1\n",
      "O=C(CNc1cccc2ccccc12)NN=Cc1ccc([N+](=O)[O-])o1\n",
      "C[C@]12C[C@H](O)[C@@]3(F)[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO\n",
      "O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(Cl)c1)Nc1ccc2c(c1)CCC2\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)Nc3cccc4ccccc34)ccc2O[C@H]1CN(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1\n",
      "O=C(C[C@H]1C=C[C@@H](NS(=O)(=O)c2ccccc2F)[C@H](CO)O1)NCCCN1CCOCC1\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "C[C@@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O[C@H]1CN(C)Cc1ccc(C(F)(F)F)cc1\n",
      "Cc1ccccc1S(=O)(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1\n",
      "O=C(O)CSCC(=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2cccc(F)c2)Oc2ncc(C3=CCCCC3)cc2C1=O\n",
      "O=C(Nc1cc(F)ccc1F)N[C@@H]1CC[C@H](CCn2cc(C3CC3)nn2)O[C@@H]1CO\n",
      "Cc1cc2c(cc1C)C(=O)C(c1ccccc1)=C(NCc1ccccc1)C2=O\n",
      "c1ccc2c(-c3ccncc3)c[nH]c2c1\n",
      "O=C1CCc2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2N1\n",
      "O=c1ccc2ccccc2o1\n",
      "C#CCOC(=O)C1=CCCN(C)C1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc4c(c3)OCO4)ccc2O[C@@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1\n",
      "Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@H]1SC(C)(C)[C@@H]2C(=O)O\n",
      "CN(C)c1oc(-c2ccc(OCc3ccc(Cl)cc3)cc2)nc1C#N\n",
      "CN(C)C(=O)C[C@@H]1CC[C@H](NC(=O)C2CCOCC2)[C@H](CO)O1\n",
      "Cc1ccccc1NC(=O)NCC1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1\n",
      "N#Cc1ccccc1CSc1nc2cc(Br)c[nH]c-2n1\n",
      "CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1\n",
      "CCCN(C)C[C@@H]1OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2C(=O)N([C@H](C)CO)C[C@H]1C\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccccc2F)Oc2ncc(C3=CCCC3)cc2C1=O\n",
      "C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)C(=O)Cc1ccncc1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)Nc3cccc4ccccc34)ccc2O[C@@H]1CN(C)Cc1ccc(-c2ccccc2)cc1\n",
      "COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1\n",
      "CC(=O)NCCCC[C@@H]1NC(=O)[C@@H]2C[C@H](C(=O)NCCCC[N+](C)(C)C)[C@H](c3ccc(O)cc3)N2C1=O\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)Cc3ccccc3)ccc2O[C@H]1CN(C)Cc1ccc(C(F)(F)F)cc1\n",
      "Fc1cc(F)cc(Nc2nc(Cl)nc(NC3CCCC3)n2)c1\n",
      "C[C@H]1CCCCO[C@H](CN(C)C(=O)CCC(F)(F)F)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2O1\n",
      "COc1ccc2c(c1)[C@]13CCCC[C@H]1[C@H](C2)N(C)CC3\n",
      "COc1ccc([Si](C)(C)[C@@H]2[C@@H](CCO)O[C@]3(C(=O)N(Cc4cccc(N5CCOC5=O)c4)c4ccccc43)[C@H]2C)cc1\n",
      "CO[C@H]1CC[C@@H]2CCOc3c(C#N)cccc3C(=O)N(C)C[C@@H](c3ccccc3)CC(=O)N(C)C[C@H]1O2\n",
      "N#C[C@H]1N[C@H](CO)[C@@H]1c1ccc(C#Cc2cccnc2)cc1\n",
      "O=C(OCC#CCSc1nnc(-c2cccc3ccccc23)o1)c1cccc(F)c1\n",
      "COc1cc(/C=C/C(=O)N2CCC=CC2=O)cc(OC)c1OC\n",
      "Cn1nnnc1Sc1ncnc2scc(-c3cc4ccccc4o3)c12\n",
      "ClC(Cl)(Cl)Cl\n",
      "CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O[C@@H]1CN(C)CC1CCCCC1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccccc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)Nc3cccc4ccccc34)ccc2O[C@H]1CN(C)Cc1ccc(C(F)(F)F)cc1\n",
      "CC1=NN=C(c2ccc(N)cc2)c2cc3c(cc2C1)OCO3\n",
      "COc1ccc(NC(=O)N2CCCCN3[C@H](C2)[C@@H](c2ccc(C4=CCCC4)cc2)[C@@H]3CO)cc1\n",
      "O=c1c2ccccc2sn1-c1cccc(Cl)c1\n",
      "C[C@H]1CCCCO[C@H](CN(C)CC2CCCCC2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(C)(=O)=O)ccc2O1\n",
      "CN(C)CC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)C4CCCC4)CCCCN3[C@H]2CO)cc1\n",
      "CNc1nc(N)c([N+](=O)[O-])c(Nc2ccc(F)cc2)n1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(C#CCN(C)C)cnc2O[C@@H]1CN(C)Cc1cccc(F)c1\n",
      "O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2ccncc2)O1)NCc1ccc(-c2ccccc2)cc1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)S(=O)(=O)c1ccc2c(c1)OCCCO2\n",
      "CCCc1cc(NC(=O)CCl)n(-c2ccccc2)n1\n",
      "O=C(OCC#CCSc1nnc(-c2cccc3ccccc23)o1)c1ccc(Cl)c(C(F)(F)F)c1\n",
      "CCn1cnc2c(Nc3cc(F)cc(F)c3)nc(C#N)nc21\n",
      "CC(C)NC[C@H](O)c1ccc(O)c(O)c1\n",
      "C=CC(=O)Nc1cc(NC(=O)c2ccc(C)c(NC(=O)c3ccno3)c2)cc(C(F)(F)F)c1\n",
      "CC1(C)Oc2ccc(C#N)cc2[C@@H](N2CCCC2=O)[C@@H]1O\n",
      "COc1ccc(N2CCN(CCCNC(=O)Cn3c(=O)c4cccn4c4c(C)ccnc43)CC2)cc1\n",
      "C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C\n",
      "Cc1cc(Cl)ccc1OCC(=O)NN=Cc1ccc[nH]1\n",
      "O=C(Nc1c[nH]nc1-c1nc2cc(CN3CCOCC3)ccc2[nH]1)NC1CC1\n",
      "CC(C)(C)OC(=O)NCCc1nnc(S(=O)(=O)Cc2ccc(Cl)cc2Cl)o1\n",
      "CCN(CC)CCOC(=O)c1ccc(N)cc1\n",
      "CNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccc(Cl)c(Cl)c2)O1\n",
      "CC(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1\n",
      "CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2\n",
      "O=C(C[C@@H]1CC[C@@H](NC(=O)Cc2cccnc2)[C@H](CO)O1)Nc1ccc(-c2ccccc2)cc1\n",
      "CC(C)=CCC/C(C)=C/CC/C(C)=C/CO\n",
      "CN(C)CC#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(C(=O)C4CC4)C[C@@H]23)cc1\n",
      "CCOC(=O)N1CCC(NCCNC(=O)c2ccc(F)cc2)CC1\n",
      "O=C1NN(C(=O)Nc2ccc(Br)cc2)[C@@H](c2ccccc2)[C@@H]1c1ccccc1\n",
      "COC(=O)NN=Cc1ccc([N+](=O)[O-])o1\n",
      "COCC[n+]1c2c(n(Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O\n",
      "O=C(OCCCCSc1nnc(-c2cccc3ccccc23)o1)c1ccc(F)cc1\n",
      "COc1ccc(CN2[C@@H](CO)[C@@H]3c4ccccc4N(C(=O)Nc4ccc(F)cc4)C[C@@H]32)cc1\n",
      "COc1cc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)c(OC)cc1Cl\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)C3CCCCC3)ccc2O[C@@H]1CN(C)CC1CCCCC1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)CCN3CCOCC3)ccc2O[C@@H]1CN(C)Cc1ccc(-c2ccccc2)cc1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2cccc(F)c2)Oc2ncc(C3=CCCCC3)cc2C1=O\n",
      "C[C@H]1CCCCO[C@H](CN(C)C(=O)Nc2ccccc2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2O1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)CCCN(C)C)ccc2O[C@@H]1CN(C)Cc1ccc2c(c1)OCO2\n",
      "O=c1[nH]cc(F)c(=O)[nH]1\n",
      "COCCNCCCn1c(C(=O)CF)c(-c2ccc(C)cc2)c2c(N)ncnc21\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)c3ccncc3)c2O[C@@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1\n",
      "COc1cccc(CNC(=O)C[C@@H]2C=C[C@@H](NC(=O)C3CCC3)[C@@H](CO)O2)c1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NS(=O)(=O)c3cccs3)c2O[C@@H]1CN(C)Cc1ccc(Cl)c(Cl)c1\n",
      "COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)C(C)C\n",
      "O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccc2c(c1)OCO2\n",
      "C[C@@]12C=CC[C@H]1[C@@H]1CC[C@H]3C[C@H](O)CC[C@]3(C)[C@H]1CC2\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(N(C)C)cc2C1=O\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)S(=O)(=O)c1ccc(Cl)cc1\n",
      "C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CCN(C)C)cc2O[C@@H]1CN(C)Cc1ccccc1F\n",
      "C[C@H]1CCCCO[C@@H](CN(C)Cc2ccncc2)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2O1\n",
      "CC1(C)C=C2C(=[N+]([O-])c3cc4c(cc32)C=CC(C)(C)O4)C(C)(C)C1\n",
      "COc1cc(NC(=O)c2cnn3c(C)cc(C)nc23)cc(OC)c1OC\n",
      "O=C(CN1C(=O)CCC1=O)Nc1cccc2c1C(=O)NC2=O\n",
      "COc1ccc2nc(-c3ccc(F)cc3)sc2c1\n",
      "CO[C@H](CN(C)Cc1cc(F)ccc1F)[C@H](C)CN([C@@H](C)CO)S(=O)(=O)c1ccc(F)cc1\n",
      "COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1\n",
      "O=c1c2ccccc2on1-c1ccccc1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccccc3)cc2CC1=O\n",
      "Cc1nc2ccccn2c(=O)c1CCN1CCC(C(=O)c2ccc(F)cc2)CC1\n",
      "CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4S(=O)(=O)Cc3ccccc3)cc2)c1\n",
      "CN(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(CC4CC4)C[C@@H]23)cc1\n",
      "COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CN(CC2CCOCC2)C1\n",
      "C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)C(=O)Cc1ccncc1\n",
      "Retry on COc1cc(C)c(Cc2cnc(N)nc2N)cc1OC\n",
      "COc1cc(C)c(Cc2cnc(N)nc2N)cc1OC\n",
      "O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1\n",
      "COc1ccc(-c2cc3nc(C)c(C)c(N4CCN(C(=O)c5ccoc5)CC4)n3n2)cc1\n",
      "O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12\n",
      "CN(Cc1ccco1)c1ncnc2ccc(-c3ccccc3Cl)cc12\n",
      "COc1ccc(/C=C2\\SC(=S)N(CCCC(=O)Nc3ccc(C(=O)O)c(O)c3)C2=O)cc1OC\n",
      "CC(C)(C)[S@](=O)N1Cc2cc(C(=O)NCc3ccccc3F)nc(-c3cccc(-c4ccncc4)c3)c2[C@@H]1CCO\n",
      "CN(C)CC(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NCc3ccc4c(c3)OCO4)O[C@@H](CO)[C@H]1O2\n",
      "O=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1\n",
      "O=C(NC1CCCCC1)N[C@@H]1C=C[C@@H](CC(=O)N2CCOCC2)O[C@@H]1CO\n",
      "CNCCCC12CCC(c3ccccc31)c1ccccc12\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)Cc2cc(NS(C)(=O)=O)ccc2O[C@@H]1CN(C)Cc1ccc(-c2ccccc2)cc1\n",
      "O=C(C[C@@H]1C/C=C/CCC(=O)N2CCC[C@@H]2COC1=O)NCc1ccc(Cl)cc1\n",
      "COc1ccc(C2(C(=O)N3CCC(n4nc(-c5ccccc5)oc4=O)CC3)CC2)cc1\n",
      "COc1cccc(CN2CC3(CN(Cc4ccccn4)C3)c3c([nH]c4cc(OC)ccc34)[C@@H]2CO)c1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)C2CCCCC2)Oc2cc(C3=CCCC3)ccc2S1(=O)=O\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)C1CCCCC1)OCCCC[C@@H](C)O2\n",
      "C=C1[C@@H](O)[C@@H]2/C=C/C[C@H](C)C(=O)[C@@](C)(O)/C=C/[C@@H](OC(C)=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C\n",
      "C=CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccc(OC)cc1\n",
      "C/N=C1/S/C(=C/c2cc(C)n(-c3cc(C)ccc3OC)c2C)C(=O)N1C\n",
      "Oc1ccc(C=Cc2cc(O)cc(O)c2)cc1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O[C@H]1CN(C)Cc1ccc(-c2ccccc2)cc1\n",
      "CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C\n",
      "COC(=O)N1C(=O)[C@@](c2ccc(OC)cc2)(C(C)C)N1C(=O)OC\n",
      "CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4S(=O)(=O)c3ccccc3F)cc2)c1\n",
      "C[C@@H](O)C#Cc1ccc([C@@H]2[C@H]3CN(CC4CCOCC4)CCCCN3[C@H]2CO)cc1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2O[C@H](C)CCCCO[C@H]1CN(C)C(=O)Nc1ccccc1\n",
      "COC(=O)CCCCCCC(=O)N/N=C/[C@@H](O)[C@H](O)[C@H](O)CO\n",
      "O=C(O)c1ccc(-c2ccc3cc(C45CC6CC(CC(C6)C4)C5)c(O)cc3c2)cc1\n",
      "COc1ccc2c(OC)c3ccoc3nc2c1OC\n",
      "COc1ccc(C)cc1-n1nnnc1SCc1nc(N)nc(N(C)C)n1\n",
      "CS(=O)(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#Cc4ccc(F)cc4)cc3)[C@@H]2C1\n",
      "NC(=O)C1CCN(c2ncc(Br)cn2)CC1\n",
      "COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)CC1CC1)CC31CN(C(=O)c2ccccc2)C1\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "O=C(CSc1nc2ccc(F)cc2c(=O)n1-c1ccccc1)Nc1ccc2c(c1)CCC2\n",
      "C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2O\n",
      "CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@@H]21\n",
      "O=S(=O)(NCCCCCCc1ccccc1)c1cccc2c(Cl)cccc12\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(-c3ccc(C#N)cc3)cnc2O[C@@H]1CN(C)CC1CCCC1\n",
      "CNc1nc(N)c([N+](=O)[O-])c(Nc2ccc(Cl)cc2)n1\n",
      "C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@@H]1CN(C)Cc1cccnc1\n",
      "COc1ccc(-c2cc(=O)c3c(O)cc(O[C@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1\n",
      "c1nc(CC2CCNCC2)c[nH]1\n",
      "CCOc1ccc(/N=c2\\scc(-c3ccc(C)c(C)c3)n2CC)cc1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2O[C@H]1CN(C)C(=O)NC1CCCCC1\n",
      "CC(=O)C[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O\n",
      "O=c1onc2cnc3ccccc3n12\n",
      "Cc1cc(C)c2c3c(sc2n1)C(=O)N(c1ccccc1C)CC(=O)N3\n",
      "O=C(NN=Cc1ccc([N+](=O)[O-])o1)c1ccc(O)cc1\n",
      "CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1\n",
      "COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CCN(Cc2cc(F)ccc2F)CC1\n",
      "CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1\n",
      "Cc1ccc(OCCOc2ccc(Cl)cc2Cl)c([N+](=O)[O-])n1\n",
      "Clc1cccc2c1CN(C1=NCCN1)C2\n",
      "O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2cccnc2)O1)NCC1CC1\n",
      "C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CCC2=O\n",
      "COc1ccccc1-c1nnc(SCC#CCOC(=O)c2ccc(F)cc2)o1\n",
      "N#Cc1ccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)C5CCCCC5)C[C@@H]34)cc2)cc1\n",
      "O=C1CCCC2=C1C1(CCCC1)NC(Nc1nc3cc(Br)ccc3o1)=N2\n",
      "Oc1cc(O)cc(C=Cc2ccc(O)c(O)c2)c1\n",
      "Cc1c(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)cccc1[N+](=O)[O-]\n",
      "COc1ccc(-n2sc3ccccc3c2=O)cc1\n",
      "Cn1c(=O)cc(OCCCC(=O)Nc2cc(C(F)(F)F)ccn2)c2ccccc21\n",
      "COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(C)=O)CC31CCN(C(=O)C2CCOCC2)CC1\n",
      "CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N2CCN(c3ccccc3)CC2)c1\n",
      "CCCNC(=O)N(C)C[C@@H]1Oc2cc(C3=CCCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C\n",
      "NC(=O)c1sc(-c2ccsc2)cc1N\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CC2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O\n",
      "C[C@H]1CCCCO[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3cccc4ccccc34)ccc2O1\n",
      "CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)C2CCCC2)CC1\n",
      "O=C1CN(Cc2ccc(F)cc2)C[C@H]2[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H](CO)N12\n",
      "O=C(C[C@H]1CC[C@@H]2NC[C@H](O)COC[C@H]2O1)NCCN1CCCCC1\n",
      "COc1ccc(NC(=O)Nc2ccc3c(c2)[C@H]2C[C@H](CC(=O)NCc4ccncc4)O[C@H](CO)[C@H]2O3)cc1\n",
      "CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\\CCCC(=O)O\n",
      "CCCN1CCC[C@@H]2Cc3n[nH]cc3C[C@H]21\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(-c3ccccc3F)cnc2O[C@H]1CN(C)Cc1ccc(F)cc1\n",
      "CN(C)c1ccc(/C=C2\\CCCN=C2c2cccnc2)cc1\n",
      "COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2c(c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(C)=O)CC2\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2ccccc2-c2ccccc2CO[C@@H]1CN(C)C(=O)Cc1ccccc1\n",
      "CC(C)Cn1cnc2c(N)nc3ccccc3c21\n",
      "C=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C/[C@H](O)CCC[C@@H](C)C/C=C/[C@H]3[C@@H]1O\n",
      "O=C1Nc2ccc(Br)cc2/C1=C/C(=O)c1ccc(F)cc1\n",
      "C/C=C1\\C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C\n",
      "O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccc(Oc3ccccc3)cc2)O1)N1CCc2ccccc2C1\n",
      "O=C1NCC2(CCN(CCc3ccccc3)CC2)O1\n",
      "CN(Cc1ccco1)c1ncnc2ccc(-c3ccc4c(ccn4C)c3)cc12\n",
      "COc1ccccc1C#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1ccccc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O\n",
      "NC(=O)C1(N2CCCCC2)CCN(CCCC(=O)c2ccc(F)cc2)CC1\n",
      "CCOc1ccc(CCNC(=O)C2CCCCC2)cc1OCC\n",
      "CCCN(C)C[C@@H]1OCCCC[C@@H](C)Oc2ccc(NS(C)(=O)=O)cc2C(=O)N([C@H](C)CO)C[C@H]1C\n",
      "COc1cc2nc(N3CCCN(C)CC3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC\n",
      "C[C@H]1CCCCO[C@H](CN(C)C(=O)CCC(F)(F)F)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2O1\n",
      "CC/N=C1/S/C(=C/c2cc(C)n(-c3ccc(Cl)cc3F)c2C)C(=O)N1CC\n",
      "C[C@H]1CCCCO[C@H](CN(C)C(=O)CCCN(C)C)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O1\n",
      "COc1ccc(C(=O)Oc2ccc(CCn3c(NC(=O)c4ccc(C(F)(F)F)cc4)nc4cc(C(=O)O)ccc43)cc2)cc1\n",
      "O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cc(F)ccc2F)O1)N1CCc2ccccc2C1\n",
      "O=S(=O)(NCCNS(=O)(=O)c1c(F)cccc1F)c1ccc2c(c1)OCCO2\n",
      "CCCNC(=O)N1[C@@H](C#N)[C@H](c2ccc(C3=CCCCC3)cc2)[C@@H]1CO\n",
      "CC(=O)c1ccc2c(c1)Nc1ccccc1S2\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O[C@H](C)CCCCO[C@@H]1CN(C)S(=O)(=O)c1ccccc1\n",
      "O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(Cl)ccc1C(=O)O\n",
      "COc1ccc2[nH]c(C(=O)c3ccccc3)cc2c1\n",
      "C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CCN(C)C)cc2O[C@@H]1CN(C)Cc1ccc2c(c1)OCO2\n",
      "COc1ccc(C(Cl)=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)Nc3cccc4ccccc34)ccc2O[C@@H]1CN(C)Cc1ccc(C(F)(F)F)cc1\n",
      "Cc1csc(NC(=O)CSc2ccc(-c3ccccc3)nn2)n1\n",
      "CCCNC(=O)N1[C@H](CO)[C@H](c2ccc(C3=CCCCC3)cc2)[C@H]1CNC(C)C\n",
      "O=C(OCCN1CCCCC1)c1c[nH]c2ccccc12\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)Nc3ccc(F)cc3)c2O[C@H]1CN(C)S(=O)(=O)c1ccc(Cl)cc1\n",
      "CCOC(=O)CS(=O)(=O)c1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1\n",
      "Cc1cccnc1NC(=S)NC(=O)c1cncc(Br)c1\n",
      "O=C(O)COCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1\n",
      "CCCCOC(=O)c1ccc(N)cc1\n",
      "CCC(=O)[C@@]1(C)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)Cc2cc(NS(=O)(=O)c3ccccc3)ccc2O[C@@H]1CN(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1\n",
      "C[C@H]1CCCCO[C@@H](CN(C)Cc2ccc3c(c2)OCO3)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(N(C)C)ccc2O1\n",
      "O=C(OCc1ccc(CSc2nnc(-c3cccc4ccccc34)o2)cc1)c1ccc(F)cc1\n",
      "C[N+]1(C)CCN(c2ccccc2)CC1\n",
      "O=c1cc(N2CCOCC2)oc2c(-c3ccccc3)cccc12\n",
      "C=C1/C(=C\\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](O)C[C@@H]1O\n",
      "CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)Nc1ccccc1)OCCCC[C@@H](C)O2\n",
      "Cc1ccc(-c2ccc3c(c2)O[C@@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](C)CN([C@@H](C)CO)S3(=O)=O)cc1\n",
      "Cc1csc(CNc2ncnc3ccc(-c4cccc(Cl)c4)cc23)c1\n",
      "CCCCCC[C@@H]([C@@H](C)O)n1cnc2c(N)ncnc21\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2ccccc2-c2ccccc2CO[C@H]1CN(C)C(=O)N[C@H](C)c1ccccc1\n",
      "Cc1ccccc1S(=O)(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3cccc4ccccc34)ccc2O[C@H](C)CCCCO[C@@H]1CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1\n",
      "Brc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1\n",
      "CCCCC[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)O)C[C@H]2C[C@H]1O\n",
      "CCOC(=O)N1CCC(NCCNC(=O)c2cccc(F)c2)CC1\n",
      "CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)c5cnccn5)C[C@@H]3N4)cc2)c1\n",
      "Cc1cc(C)c2nc(-c3ccccn3)cc(C(=O)Nc3ccc(S(=O)(=O)Nc4onc(C)c4C)cc3)c2c1\n",
      "CC(C)NC(=O)N(C)C[C@H]1OCCCC[C@H](C)Oc2ccc(NC(=O)Cc3ccccc3)cc2C(=O)N([C@H](C)CO)C[C@H]1C\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(N(C)C)c2O[C@H]1CN(C)C(=O)NC1CCCCC1\n",
      "C=CCN1C(=O)[C@]2(O[C@H](CCO)[C@@H]([Si](C)(C)F)[C@@H]2C)c2cc(NC(=O)[C@H](C)O)ccc21\n",
      "COc1ccccc1Nc1nc(N2CCCC2)nc(N2CCOCC2)n1\n",
      "COc1ccccc1CN1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2ccc(C#N)cc2)cc1\n",
      "O=C(c1cc2ccccc2[nH]1)c1cc2cc(O)ccc2[nH]1\n",
      "COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CN(Cc2ccc(-c3ccccn3)cc2)C1\n",
      "CN1CCN(C2=C(NS(=O)(=O)c3ccccc3)C(=O)c3ccccc3C2=O)CC1\n",
      "COc1ccccc1-c1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)CC1CCOCC1)O2\n",
      "O=C1CCc2c(ccc3ccccc23)O1\n",
      "O=C(C[C@@H]1C=C[C@@H](NC(=O)CC2CC2)[C@H](CO)O1)NCC(F)(F)F\n",
      "COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(C#Cc3cccnc3)cnc2O[C@H]1CN(C)Cc1ccc(F)cc1\n",
      "O=S(=O)(NCCNC/C=C/c1ccc(Br)cc1)c1cccc2cnccc12\n",
      "C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)CC1CC1\n",
      "COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)CN(C)C)CC31CN(CC2CCOCC2)C1\n",
      "C[C@@H](N)[C@@H](O)c1ccccc1\n",
      "COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(OC)cc2)O3)cc1\n",
      "CN1CCN(C(=O)c2cc3c(c(-c4cccc(-c5cccc(F)c5)c4)n2)[C@@H](CCO)N(S(=O)C(C)(C)C)C3)CC1\n",
      "CN1C[C@H](CO)C=C2c3cccc4[nH]cc(c34)C[C@H]21\n",
      "COc1ccc(Cn2c3ccc(Br)cc3c3nc4ccccc4nc32)cc1OC\n",
      "C/C=C/c1ccc2c(c1)O[C@H](CN(C)Cc1cccc(F)c1)[C@H](C)CN([C@H](C)CO)S2(=O)=O\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)Cc1ccc2c(c1)OCCO2\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O[C@H](C)CCCCO[C@@H]1CN(C)S(=O)(=O)c1ccc(Cl)cc1\n",
      "C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(/C=C/c3ccccc3)cc2O[C@H]1CN(C)Cc1cncnc1\n",
      "CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]21\n",
      "O=C(O[C@@H]1C[C@@H]2C[C@@H]3C[C@H](C1)N2CC3=O)c1c[nH]c2ccccc12\n",
      "C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccncc3)cc2O[C@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1\n",
      "O=C(NCCc1nc2ccccc2n1CCOc1cc(F)ccc1F)C1CCCCC1\n",
      "COc1ccc(-c2coc3cc(OC(C)=O)cc(OC(C)=O)c3c2=O)cc1\n",
      "COc1cccc(C(=O)Nc2ccc3c(c2)OC[C@@H](C)N(CC2CC2)C[C@@H](C)[C@H](OC)CN(C)C3=O)c1\n",
      "Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)S(=O)(=O)c1ccc(Cl)cc1)OCCCC[C@H](C)O2\n",
      "CCOc1ccc(-c2nc(-c3ccncc3)no2)cc1OCC\n",
      "Cc1nnc2n1-c1sc(CCC(=O)N3CCOCC3)cc1C(c1ccccc1Cl)=NC2\n",
      "C=C1C(=O)O[C@H]2[C@H]1CC/C(C)=C/CC[C@@]1(C)O[C@H]21\n",
      "CC1(C)CC(=O)C=C(SCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)S1\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(C#CCN(C)C)cnc2O[C@H]1CN(C)Cc1ccc(F)cc1\n",
      "ClC(=Cn1cncn1)c1ccc(Cl)cc1Cl\n",
      "COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CN(Cc2cc(F)ccc2F)C1\n",
      "CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)NC3CCCCC3)c2O[C@@H]1CN(C)Cc1ccc(C(=O)O)cc1\n",
      "Cc1cccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)c5ccncc5)C[C@@H]3N4)cc2)c1\n",
      "COc1cc2c(cc1-c1coc3c4c(c(OC)cc3c1=O)OC(C)(C)C=C4)OCO2\n",
      "CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)Nc1ccc(O)cc1\n",
      "Cn1cc(/C=C2/C(=O)Nc3cccnc32)c2ccccc21\n",
      "O=C(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccc(Cl)cc1\n",
      "CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3cccc4ccccc34)ccc2O[C@H]1CN(C)Cc1ccc(C(F)(F)F)cc1\n",
      "CCOC(=O)C1CCN(C(=O)C(C)(C)NC(=O)Nc2ccc(Cl)cc2Cl)CC1\n",
      "C[C@H]1CCCCO[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O1\n",
      "CN1CCN(C(=O)C[C@@H]2CC[C@H]3[C@@H](COC[C@H](O)CN3Cc3ccc(Oc4ccccc4)cc3)O2)CC1\n",
      "O=C1C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3F)cc2)SC(=S)N1CCS(=O)(=O)O\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)Cc2cc(N(C)C)ccc2O[C@@H]1CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1\n",
      "O=C(O)[C@H]1O[C@@H](Oc2ccc(-c3coc4cc(O)ccc4c3=O)cc2)[C@H](O)[C@@H](O)[C@@H]1O\n",
      "CC[n+]1c(/C=C/N(C)c2ccccc2)n(-c2ccccc2)c2ccc(-c3nc4ccccc4s3)cc21\n",
      "CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1\n",
      "COc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)CC2CCCCC2)O3)cc1\n",
      "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C6CCCC6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C\n",
      "CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O\n",
      "CC(=O)N1CCN(c2ccc(N)cc2)CC1\n",
      "c1cncc(CNc2ncnc3ccc(-c4cccnc4)cc23)c1\n",
      "Cn1nnnc1Sc1ncnc2scc(-c3ccc(C(F)(F)F)cc3)c12\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)Nc3ccc(F)cc3)c2O[C@@H]1CN(C)S(=O)(=O)c1ccc(Cl)cc1\n",
      "Cc1cc2c(F)c(Oc3ncnn4cc(OC[C@@H](C)O)c(C)c34)ccc2[nH]1\n",
      "COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)CC2CCCCC2)OCCCC[C@H](C)O3)cc1\n",
      "C[C@H]1CCCCO[C@H](CN(C)C(=O)CCC(F)(F)F)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2O1\n",
      "O=C(c1ccccn1)N(Cc1cccs1)C1(C(=O)NC2CCCCC2)CCCCC1\n",
      "CCN(CC)CCOC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCCC1\n",
      "CC(Oc1ccc(O)cc1)(P(=O)(O)O)P(=O)(O)O\n",
      "Cc1cc2c(s1)c1cnn(Cc3cc(F)ccc3F)c(=O)c1n2C\n",
      "Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1\n",
      "CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12\n",
      "CN(C(=O)CCCOc1ccc2[nH]c(=O)ccc2c1)C1CCCCC1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)CC2CC2)Oc2cc(C3=CCCCC3)ccc2S1(=O)=O\n",
      "CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO\n",
      "CCCN(CCC)c1nc(N2CCCC2)nc2ccccc12\n",
      "COc1ccc(NC(=O)Nc2ccc3c(c2)[C@@H]2C[C@@H](CC(=O)NCc4ccncc4)O[C@@H](CO)[C@@H]2O3)cc1\n",
      "O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)c2ccccc2)O1)NCCCN1CCOCC1\n",
      "CC(C)NC(=O)N(C)C[C@H]1OCCCC[C@@H](C)Oc2ccc(N(C)C)cc2C(=O)N([C@H](C)CO)C[C@@H]1C\n",
      "COc1cc(C(=O)O[C@@H]2C[C@@H]3CC[C@H](C2)N3C)ccc1O\n",
      "NC(=O)c1cnccn1\n",
      "COC(=O)c1cc2c(cn1)[nH]c1ccccc12\n",
      "O=C(O)c1ccccc1OP(=O)(O)O\n",
      "OCCN1CCN(CC/C=C2/c3ccccc3Sc3ccc(Cl)cc32)CC1\n",
      "O=C1CNC[C@@H]2[C@H](c3ccc(Br)cc3)[C@@H](CO)N12\n",
      "O=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1csc(N2CCOCC2)n1\n",
      "COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CCN(S(=O)(=O)c2ccc(C)cc2)CC1\n",
      "O=C1/C(=C/c2ccc(Br)cc2)C=C(c2ccccc2)N1c1ccccc1O\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)c3ccncc3)c2O[C@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1\n",
      "Ic1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1\n",
      "COC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]2N1C(=O)Cc1cccnc1\n",
      "Nc1ccc(O)c(C(=O)O)c1\n",
      "O=C(N[C@H]1CN2CCC1CC2)c1ccc(Cl)cc1\n",
      "Cc1cccc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1\n",
      "O=C(O)c1ccc2cc(-c3ccc(O)c(C45CC6CC(CC(C6)C4)C5)c3)ccc2c1\n",
      "NC(=O)c1cccnc1\n",
      "CCCc1nc2c(=O)n(C)c(=O)nc-2n(C)n1\n",
      "CC(C)(O)CCc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c1O[C@H](c1ccc(O)cc1)[C@@H](O)C2=O\n",
      "COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)C1CCOCC1)CC31CCN(Cc2cccc(F)c2)CC1\n",
      "N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CC[C@H]12)c1ccccc1\n",
      "CN1CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(F)cc3)ccc2O[C@H](C)CCCCO[C@H]1CN(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1\n",
      "CCc1nnc(NC(=O)c2nc(S(=O)(=O)Cc3ccccc3)ncc2Cl)s1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O[C@H](C)CCCCO[C@@H]1CN(C)C(=O)C1CCCCC1\n",
      "CCCN(C)C[C@H]1OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3cn(C)cn3)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C\n",
      "C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#Cc3cccnc3)cc2O[C@H]1CN(C)CC1CCCC1\n",
      "CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccccc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O\n",
      "N#Cc1nc(Nc2cccc(Cl)c2)c2ncn(C3CCCC3)c2n1\n",
      "C[C@H]1CCCCO[C@H](CN(C)C(=O)Nc2ccccc2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3cccc4ccccc34)ccc2O1\n",
      "COc1ccc(-c2cc3nc(-c4ccccc4)cc(N4CCN(C(=O)c5ccoc5)CC4)n3n2)cc1\n",
      "O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccc(Oc3ccccc3)cc2)O1)Nc1nccs1\n",
      "CS(=O)(=O)/C(C#N)=C/c1cccn1S(=O)(=O)c1ccc([N+](=O)[O-])cc1\n",
      "CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C\n",
      "COc1c2ccccc2nc2occc12\n",
      "Cc1cccc(CN2C(=O)[C@@H]3Cc4c([nH]c5ccccc45)C(C)(C)N3C2=O)c1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(C#Cc3cccnc3)cnc2O[C@@H]1CN(C)Cc1ccc(F)cc1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Cc3cn(C)c4ccccc34)ccc2O[C@H]1CN(C)Cc1ccncc1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(C3=CCCCC3)cnc2O[C@@H]1CN(C)Cc1ccccc1F\n",
      "Cc1cc(C(=O)Nc2ccc3c(c2)C(=O)N(C)[C@H]2CC[C@H](CC(=O)NCc4ccc(-c5ccccc5)cc4)O[C@H]2CO3)no1\n",
      "COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(S(=O)(=O)c1ccc(C)cc1)CC31CCN(S(=O)(=O)c2ccc(C)cc2)CC1\n",
      "CC(=O)Nc1ccc(C(=O)Nc2ccc(F)cc2N)cc1\n",
      "O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)N1CCCCCCC1)[C@]1(C(=O)Nc3ccc(C#CC4=CCCCC4)cc31)[C@H]2c1ccc(OCCO)cc1\n",
      "O=c1c2ccccc2[se]n1-c1ccccc1\n",
      "COc1ccc(N(C(=O)Oc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1\n",
      "COc1cccc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@@H](c4ccc(-c5cncnc5)cc4)[C@H]3C2)c1\n",
      "C[C@H]1CCCCO[C@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3cccc4ccccc34)ccc2O1\n",
      "C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)C(=O)c1ccncc1\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)NC1CCCCC1)O2\n",
      "C[C@H]1CCCCO[C@H](CN(C)CC2CC2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2O1\n",
      "O=C(O)CCCc1ccc(N(CCCl)CCCl)cc1\n",
      "O=C(OCC#CCSc1nnc(-c2cccc3ccccc23)o1)c1ccccc1F\n",
      "CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCOC2\n",
      "CC(C)c1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1\n",
      "CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(N)=O\n",
      "O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1\n",
      "Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1\n",
      "O=C(COc1ccc(Cl)cc1)NCc1n[nH]c(=S)n1-c1cccc(Cl)c1\n",
      "O=C(O)[C@H]1C(=CCO)O[C@@H]2CC(=O)N21\n",
      "O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccc(Oc3ccccc3)cc2)O1)Nc1nccs1\n",
      "CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1\n",
      "CN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1\n",
      "Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c65\n",
      "c1ccc2c(N3CCCC3)nc(N3CCCC3)nc2c1\n",
      "C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)Cc1ccncc1\n",
      "Cc1ccc(-c2c(C#N)c(N)n(-c3ccc(Cl)cc3)c(=O)c2C#N)cc1\n",
      "C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2C(=O)CO\n",
      "CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OP(C)(C)=O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C\\C=C\\1C\n",
      "C=CCNc1oc(-c2cccc(Cl)c2)nc1C#N\n",
      "N#Cc1cccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(C(=O)Nc5ccc(F)cc5)C[C@@H]34)cc2)c1\n",
      "COc1cccc(-c2cnc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc2ccc(F)cc2)O3)c1\n",
      "C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CCC3CCCC3)cc2O[C@@H]1CN(C)Cc1cccc(C(=O)O)c1\n",
      "COC(=O)[C@@H]1[C@H](C(=O)O)[C@@]2(C(=O)N(C(=O)NCc3ccccc3)c3ccc(C#Cc4ccc(OC)cc4)cc32)[C@@H](c2ccccc2)N1C\n",
      "CNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1\n",
      "N[C@@H]1CC[C@@H](CCn2cc(-c3ccccn3)nn2)O[C@H]1CO\n",
      "CCN(CC)CCOc1ccc(/C(=C(\\Cl)c2ccccc2)c2ccccc2)cc1\n",
      "COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)(C)O)n(-c5ccccc5)c4=O)cc3F)ccnc2c1\n",
      "CCc1cnc(N2[C@@H](C#N)[C@@H](c3ccc(C4=CCCC4)cc3)[C@@H]2CO)s1\n",
      "COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CCCC2)Oc2cc(C#CCN(C)C)ccc2S1(=O)=O\n",
      "O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccc(Oc3ccccc3)cc2)O1)Nc1nccs1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(C3=CCCCC3)cnc2O[C@@H]1CN(C)Cc1ccncc1\n",
      "O=C(Nc1cccc(-c2cn3ccccc3n2)c1)c1cc2cccc(O)c2oc1=O\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccc(F)cc2)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2C1=O\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O[C@H]1CN(C)Cc1ccc(C(F)(F)F)cc1\n",
      "O=C(C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1)O[Ca]OC(=O)C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "C1N2CN3CN1CN(C2)C3\n",
      "C[C@H]1CCCCO[C@@H](CN(C)Cc2ccccc2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(C#CCN(C)C)cnc2O[C@H]1CN(C)Cc1cccc(F)c1\n",
      "Fc1cccc(CN2C[C@H]3N[C@@H](C2)[C@@H]3c2ccc(-c3cncnc3)cc2)c1\n",
      "C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#Cc3ccccc3F)cc2O[C@@H]1CN(C)CC1CCOCC1\n",
      "Cn1cc(/C=C2\\C(=O)Nc3ccc(S(N)(=O)=O)cc32)c2ccccc21\n",
      "Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)NC(C)C)OCCCC[C@H](C)O2\n",
      "COc1ccc2[nH]cc(CCN)c2c1\n",
      "CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C\n",
      "COc1cc(CN2CC3(CN(C(=O)CN4CCOCC4)C3)c3c(n(C)c4cc(OC)ccc34)[C@@H]2CO)cc(OC)c1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O[C@H]1CN(C)CC1CC1\n",
      "CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1\n",
      "O=C(CC(F)(F)F)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1cccnc1\n",
      "COc1cc(O)c(C(=O)/C=C/c2ccccc2)c(OC)c1\n",
      "Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@H](C)O2\n",
      "C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)Cc1ccccn1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O\n",
      "C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(/C=C/c3ccccc3)cc2O[C@@H]1CN(C)Cc1cncnc1\n",
      "CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CNC2\n",
      "Cc1ccc(CS(=O)(=O)c2ncc(Cl)c(C(=O)Nc3nnc(C(C)C)s3)n2)cc1\n",
      "COc1cc(NC(=O)c2cc(C3CC3)on2)c(OC)cc1Cl\n",
      "CC(C)NC(=O)N(C)C[C@@H]1OCCCC[C@@H](C)Oc2ccc(NC(=O)C3CCCCC3)cc2C(=O)N([C@@H](C)CO)C[C@H]1C\n",
      "CCOc1ccc(CCNC(=O)c2cc3sccc3n2Cc2cccc(C)c2)cc1OCC\n",
      "c1nc(NCc2ccc3c(c2)OCO3)c2cc(-c3ccoc3)ccc2n1\n",
      "C[C@H]1CCCCO[C@H](CN(C)C(=O)Nc2ccccc2)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2O1\n",
      "Oc1nc(SCCc2ccccc2)nc2c1CCC2\n",
      "O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O[C@H]1CN(C)Cc1ccc(Cl)c(Cl)c1\n",
      "Cc1cccc(Nc2ccncc2S(=O)(=O)NC(=O)NC(C)C)c1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)CC2CCCCC2)Oc2ccc(NC(=O)Nc3cccc4ccccc34)cc2CC1=O\n",
      "CCCN(C)C[C@@H]1OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C(=O)N([C@H](C)CO)C[C@H]1C\n",
      "C[C@H]1CCCCO[C@H](CN(C)S(=O)(=O)c2ccc(F)cc2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2O1\n",
      "CCSc1cc(N2CCCC2)nc(-c2ccc(Cl)cc2)n1\n",
      "O=C1CCCC(=O)C1C(C#Cc1ccccc1)C1C(=O)CCCC1=O\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2O[C@H](C)CCCCO[C@H]1CN(C)C(=O)CCCN(C)C\n",
      "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(c4c3C2=O)=NC2(CCN(CC(C)C)CC2)N=5)NC(=O)/C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C\n",
      "C/C=C/c1ccc([C@H]2[C@@H](C#N)N(c3nc(CC)cs3)[C@H]2CO)cc1\n",
      "O=C(Nc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c(Cl)c1)c1ccccn1\n",
      "C[C@@H]1OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]2(O)C[C@H](O)[C@@H](C(=O)O)[C@@H](C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)C=CC=CC=CC=CC=CC=CC=C[C@H](C)[C@@H](O)[C@H]1C)O2\n",
      "O=C(c1ccoc1)N1CCN(c2cc(-c3cccc(F)c3)nc3cc(-c4cccc(Cl)c4)nn23)CC1\n",
      "CNC[C@@H]1Oc2cc(C#C[C@H](C)O)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C\n",
      "CC(=O)O[C@@]12CO[C@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]21)C3(C)C\n",
      "COc1ccc(S(=O)(=O)N(C)C[C@@H]2OCCCC[C@@H](C)Oc3ccc(NS(=O)(=O)c4cn(C)cn4)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1\n",
      "C[C@H]1CCCCO[C@@H](CN(C)C)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccccc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O\n",
      "CC(C)(C)n1nc(Cc2cccc3ccccc23)c(C#N)c1N\n",
      "NCc1ccc(S(N)(=O)=O)cc1\n",
      "CC(C)n1nc(-c2cccc(C(=O)NC3=NCCC3)c2)c2c(N)ncnc21\n",
      "CCOc1ccc2ccccc2c1C(=O)N[C@@H]1C(=O)N2[C@H]1SC(C)(C)[C@@H]2C(=O)O\n",
      "N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O\n",
      "C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)Nc3cccc4ccccc34)cccc2C1=O\n",
      "O=C(COc1cc(O)c2c(=O)c3ccccc3oc2c1)c1ccc(Cl)cc1\n",
      "O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cccc(C(F)(F)F)c2)O1)NCc1ccncc1\n",
      "Clc1cnc(Oc2ccc(Oc3ncc(Cl)cc3Cl)cc2)c(Cl)c1\n",
      "Cn1ccc2cc(S(=O)(=O)N3CCN(S(=O)(=O)c4c(F)cccc4F)CC3)ccc21\n",
      "Cc1c(C(O)(c2ccccc2)c2ccccc2)n2ccccc2[n+]1C\n",
      "COc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)O3)cc1\n",
      "COc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3c(NC(=O)NC4CCCCC4)cccc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1\n",
      "CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)cc1\n",
      "CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1\n",
      "O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CCNC2)C(F)F\n",
      "C[C@H](NC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2cccc(Cl)c2)O1)c1ccccc1\n",
      "COc1cc(/C=C2/SC(Nc3ccc(O)cc3)=NC2=O)ccc1O\n",
      "COc1ccc(NC(=O)c2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)cc1OCCN(C)C\n",
      "COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CN(S(=O)(=O)c2cccc(C)c2)C1\n",
      "COCC(=O)NC[C@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1C(=O)C1CC1\n",
      "CCCN(C)C[C@H]1OCCCC[C@H](C)Oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2C(=O)N([C@H](C)CO)C[C@H]1C\n",
      "CNC[C@@H]1Oc2cc(-c3ccccc3F)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C\n",
      "CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)COc1c2ccoc2cc2oc(=O)ccc12\n",
      "COc1ccc(-c2nc(C(=O)N3CCN(C)CC3)sc2-c2ccc(OC)cc2)cc1\n",
      "COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1\n",
      "C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CCN(C)C)cc2O[C@@H]1CN(C)C(=O)C1CCCCC1\n",
      "CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)c1ccc(F)cc1)C[C@@H](C)[C@H](OC)CN(C)C2=O\n",
      "C[C@@H]1CCCCO[C@H](CN(C)C(=O)c2ccncc2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)c3ccccc3)ccc2O1\n",
      "O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccc3c(c2)OCO3)O1)Nc1ccc(-c2ccccc2)cc1\n",
      "CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O[C@H](C)CCCCO[C@@H]1CN(C)C(=O)Nc1cccc2ccccc12\n",
      "Nc1nnc2[nH]c3ccccc3nc1-2\n",
      "C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2[nH]ccc12\n",
      "CCOc1ccc(CCNC(=O)c2ccccn2)cc1OCC\n",
      "O=C(NCCc1ccncc1)[C@@H]1N[C@@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@@H]2[C@H]1CO\n",
      "COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]2N1Cc1ccc2c(c1)OCO2\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc1ccncc1)OCCCC[C@H](C)O2\n",
      "CC(C)NC(=O)N(C)C[C@@H]1OCCCC[C@H](C)Oc2ccc(NC(=O)C3CCCCC3)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C\n",
      "O=C1CN(N=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1\n",
      "CN(C)CCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21\n",
      "Cc1noc(C)c1S(=O)(=O)N(C)C[C@@H]1OCCCC[C@@H](C)Oc2ccc(N(C)C)cc2C(=O)N([C@@H](C)CO)C[C@H]1C\n",
      "CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]4C[C@H]([N+]5(C)CCCCC5)[C@H](OC(C)=O)[C@@]4(C)CC[C@H]3[C@@]2(C)C[C@@H]1N1CCCCC1\n",
      "Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@H](C)O2\n",
      "CS(=O)(=O)/C(C#N)=C/c1cccn1S(=O)(=O)c1ccccc1\n",
      "CCc1cnc(N2[C@H](C#N)[C@@H](c3ccc(C4=CCCCC4)cc3)[C@H]2CO)s1\n",
      "O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2ccccc2)O1)Nc1ccc(-c2ccccc2)cc1\n",
      "O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccc(Cl)cc2)O1)NCc1cccc(F)c1\n",
      "Cc1ccccc1S(=O)(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4cncnc4)cc3)[C@@H]2C1\n",
      "COc1ccccc1NC(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4cccc(C#N)c4)cc3)[C@@H]2C1\n",
      "CCN(CC)c1c(C#N)c(SCC(=O)c2cccs2)cc2c1CCCC2\n",
      "Cc1cc(C)c2nc(-c3ccccn3)cc(C(=O)Nc3ccc(S(=O)(=O)Nc4cc(C)on4)cc3)c2c1\n",
      "Oc1cc2c(cc1O)[C@H]1c3ccccc3CN[C@@H]1CC2\n",
      "COC(=O)c1c(C)cc(OC)cc1O\n",
      "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=NC3(CCN(CC(C)C)CC3)NC2=C(NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O\n",
      "N=C(N)NC(=N)Nc1ccccc1\n",
      "COCCCC/C(=N/OCCN)c1ccc(C(F)(F)F)cc1\n",
      "COc1c(C)c2c(c(O)c1CC=C(C)CCC(=O)O)C(=O)OC2\n",
      "COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1\n",
      "CC(C)c1ccc(-n2nnnc2SCc2nc(N)nc(N)n2)cc1\n",
      "Cc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3ccc(N(C)C)cc3CC(=O)N([C@H](C)CO)C[C@H]2C)cc1\n",
      "Cc1ccc2nc(NC3=NC4=C(C(=O)CCC4)C4(CCCC4)N3)oc2c1\n",
      "O=C(O)CCC/C=C\\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1cccc(C(F)(F)F)c1\n",
      "O=[N+]([O-])O[C@H]1CO[C@@H]2[C@H](O[N+](=O)[O-])CO[C@@H]12\n",
      "CCC(=O)[C@@]1(C)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C\n",
      "CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)N1Cc3ccccc3NC1=O)C2\n",
      "Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)CCCN(C)C)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3cccs3)cc2C1=O\n",
      "O=C(C1CCCC1)N1CC[C@@H]2[C@H](CO)Nc3ccc(Br)cc3[C@@H]21\n",
      "Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)S(=O)(=O)c1ccc(Cl)cc1)OCCCC[C@@H](C)O2\n",
      "COc1cccc(C=NC=Nc2cccc(OC)c2)c1\n",
      "C=CCN1C(=O)[C@]2(O[C@H](CCn3cc(CCO)nn3)[C@@H]([Si](C)(C)c3ccc(OC)cc3)[C@@H]2C)c2cc(N3C(=O)c4cccc5cccc3c45)ccc21\n",
      "C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)C(=O)C1CCC1\n",
      "Cc1cc(S(=O)(=O)NCC(=O)O)ccc1F\n",
      "Cc1csc(NC(=O)c2ccc(COc3ccccc3F)o2)n1\n",
      "Cc1noc(C)c1S(=O)(=O)N(C)C[C@@H]1OCCCC[C@H](C)Oc2ccc(N(C)C)cc2C(=O)N([C@@H](C)CO)C[C@H]1C\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Cc1ccc(-c2cn3c4c(sc3n2)CCCC4)cc1\n",
      "CN(C[C@H]1N[C@H](CO)[C@@H]1c1ccc(-c2cccnc2)cc1)C(=O)NC1CCCC1\n",
      "CCOC(=O)C1CCN(C(=O)C(C)(C)NC(=O)Nc2ccc(C(F)(F)F)cc2Cl)CC1\n",
      "CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NCc3ccc4c(c3)OCO4)nc(-c3cccc(-c4cccnc4)c3)c2[C@H]1CCO\n",
      "O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2cccnc2)O1)Nc1ccc(-c2ccccc2)cc1\n",
      "Cc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1\n",
      "O=C(Nc1ccncc1)c1cc([N+](=O)[O-])ccc1Cl\n",
      "CCCNC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CCC4CCCC4)cc3)[C@H]2C1\n",
      "Cc1nn(CCCC(=O)O)c(C)c1[N+](=O)[O-]\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O[C@H]1CN(C)Cc1ccc(Cl)c(Cl)c1\n",
      "CSc1ccc(-c2csc(N3CCC(C(N)=O)CC3)n2)cc1\n",
      "Nc1nc(NCC2CCC(CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12\n",
      "C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]21C\n",
      "CN1C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@@H]2O[C@@H](CC(=O)NCc3ccc(-c4ccccc4)cc3)CC[C@H]21\n",
      "Cc1ccc(S(=O)(=O)NCC[C@@H]2CC[C@H](NC(=O)CC3CC3)[C@H](CO)O2)cc1\n",
      "O=C(c1cccnc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CCC3CCCC3)cc1)[C@@H]2CO\n",
      "O=C(C1CCOCC1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)Cc1ccccc1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccc(F)cc2)OCc2ccccc2-c2ccccc2C1=O\n",
      "CCCCCCCCC=CCCCCCCCC(=O)NCCO\n",
      "C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#CCN(C)C)cc2O[C@@H]1CN(C)C\n",
      "O=[N+]([O-])c1cnc2ccccc2c1Sc1ccccc1\n",
      "Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1\n",
      "CNC[C@H]1Oc2cc(-c3ccccc3OC)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C\n",
      "O=[N+]([O-])c1ccc2[nH]c(COCc3nc4ccccc4[nH]3)nc2c1\n",
      "CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4Cc3cccnc3)cc2)c1\n",
      "C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)Cc1cccnc1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Nc2cccc3ccccc23)OCCCC[C@@H](C)Oc2ccc(NC(=O)c3ccncc3)cc2C1=O\n",
      "Cn1nnc2c(C(N)=O)ncn2c1=O\n",
      "Cc1cc2cc3c(cc2n2c(SCC(=O)Nc4nc(-c5ccccc5)cs4)nnc12)OCCO3\n",
      "COC(=O)Cn1nc(-c2ccccc2)c2cccc(C(F)(F)F)c21\n",
      "COc1c(O)cccc1[C@@H](O)C1CCN(CCc2ccc(F)cc2)CC1\n",
      "Cc1ccccc1-c1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)CC1CCOCC1)O2\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCN3CCOCC3)ccc2O[C@H]1CN(C)S(=O)(=O)c1ccccc1\n",
      "Cc1ccc(S(=O)(=O)NC(=O)NN2CCCCCC2)cc1\n",
      "CC(C)(/N=N/C(C)(C)C(=N)N)C(=N)N\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(F)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O\n",
      "CCC1(c2ccccc2)C(=O)NCNC1=O\n",
      "Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1\n",
      "O=C1NC(=O)c2cc(Nc3ccc(F)cc3)c(Nc3ccc(F)cc3)cc21\n",
      "C/C=C/c1ccc2c(c1)O[C@H](CN(C)Cc1ccccc1F)[C@H](C)CN([C@H](C)CO)S2(=O)=O\n",
      "CC(=O)N1[C@@H](CO)[C@H](c2ccccc2)[C@@H]1CNC(=O)CN1CCOCC1\n",
      "Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O\n",
      "Nc1nc2c(ncn2COCCO)c(=O)[nH]1\n",
      "COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2cc3cc(Br)ccc3o2)n1C\n",
      "N#Cc1ccc(COC[C@H]2O[C@@H](n3c(NCc4ccc(Cl)c(Cl)c4)nc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1\n",
      "Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@H](C)O2\n",
      "Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2\n",
      "CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]21\n",
      "CCOC(=O)[C@@]1(CCCCCCOc2ccc(Cl)cc2)CO1\n",
      "COc1ccc2c(c1O)-c1cc(O)cc3c1[C@@H](C2)N(C)CC3\n",
      "C[C@H]1CCCCO[C@@H](CN(C)C(=O)CCC(F)(F)F)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2O1\n",
      "CCOc1ccccc1O[C@@H](c1ccccc1)[C@H]1CNCCO1\n",
      "COc1ccc2oc(-c3ccccc3)c(OC)c(=O)c2c1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)c3ccc(-c4nccs4)cc3)c2O[C@@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1\n",
      "Fc1ccc(C(OCCN2CCN(CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1\n",
      "O=C(NCCOc1ccccc1-c1ccccc1)c1ccco1\n",
      "CCn1c(=O)[nH]c2cc(Cl)c(Cl)cc21\n",
      "N#C/C(=C\\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1cccc2ncccc12\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Cc3cn(C)c4ccccc34)ccc2O[C@H]1CN(C)Cc1ccc2c(c1)OCO2\n",
      "Cc1noc(C)c1S(=O)(=O)N(C)C[C@@H]1Oc2ccc(NC(=O)NC(C)C)cc2CC(=O)N([C@@H](C)CO)C[C@H]1C\n",
      "O=C(COC(=O)CNC(=O)c1ccccc1Cl)Nc1cc(C(F)(F)F)ccc1Cl\n",
      "O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccc(Oc3ccccc3)cc2)O1)N1CCc2ccccc2C1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccc(F)cc2)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2C1=O\n",
      "O=C(O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CCCCC2)Oc2ccc(NC(=O)Nc3cccc4ccccc34)cc2CC1=O\n",
      "C[C@H]1CCCCO[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O1\n",
      "Nc1nc[nH]n1\n",
      "C[C@H]1CCCCO[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2O1\n",
      "C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CCC2=O\n",
      "O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@H]2[C@H](CO)O1)NCc1cc(F)ccc1F\n",
      "COC(=O)c1cnn(-c2ccc(Cl)cc2)c1C=NN=C(S)Nc1ccccc1\n",
      "c1ccc2c(Nc3nnc(-c4ccncc4)s3)cccc2c1\n",
      "CCCN(CCC)CCc1c[nH]c2ccc(C(N)=O)cc12\n",
      "O=c1c2cc(F)ccc2sn1-c1ccccc1\n",
      "Nc1ccccc1S(N)(=O)=O\n",
      "c1ccc2c3c([nH]c2c1)CNCC3\n",
      "O=P(O)(O)[C@H](O)c1ccc2ccccc2c1\n",
      "CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CCNC(C)=O)C(C)C)C(=O)N[C@]1(C)CCC/C=C\\CCC[C@](C)(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC1=O\n",
      "CCN(CC)C(=S)SSC(=S)N(CC)CC\n",
      "COc1ccc2c3c([nH]c2c1)[C@H]1C[C@H]2[C@H](C[C@@H](O)[C@H](OC)[C@H]2C(=O)O)CN1CC3\n",
      "COc1cccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)[C@@H]2CC[C@@H](CC(=O)NCC4CCCCC4)O[C@H]2CO3)c1\n",
      "O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@H](CO)O1)NCC(F)(F)F\n",
      "C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1C[C@@H](O)[C@@H]2O\n",
      "c1ccc(Cn2ccnc2)cc1\n",
      "Cn1cnc([N+](=O)[O-])c1Sc1[nH]cnc2ncnc1-2\n",
      "COc1ccc(Cl)cc1NC(=O)c1cc(C2CC2)on1\n",
      "CN1Cc2c(ccc3c2OCO3)[C@H]2[C@@H](O)Cc3cc4c(cc3[C@H]21)OCO4\n",
      "N=C(N)NC(=O)Cc1c(Cl)cccc1Cl\n",
      "O=C(O)c1c[nH]c2c(Cl)c(Cl)ccc2c1=O\n",
      "N#Cc1ccc(-c2ccc([C@@H]3[C@H]4CN(S(=O)(=O)c5ccc(F)cc5)C[C@@H]3N4)cc2)cc1\n",
      "C=CCNc1oc(-c2ccc(Cl)cc2)nc1C#N\n",
      "Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)S(=O)(=O)c1ccc(Cl)cc1)OCCCC[C@H](C)O2\n",
      "COC(=O)C(CC#Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)NC[C@H](O)c2ccccc2)[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@@H]1c1ccccc1OCCO)C(=O)OC\n",
      "N#C/C(=C\\c1ccc(O)c(O)c1)C(=O)NCCCNC(=O)/C(C#N)=C/c1ccc(O)c(O)c1\n",
      "COc1ccc(-c2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2-c2ccccc2)cc1\n",
      "CC(=O)Nc1sc2c(c1-c1nc(-c3ccccc3)cs1)CCN(C(C)C)C2\n",
      "O=C(CS(=O)(=O)c1ccc2ccccc2c1)c1cc2ccccc2oc1=O\n",
      "C[C@H]1CCCCO[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2O1\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)CC(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)CC1CC1)O2\n",
      "C=CCc1ccc(O)c(OC)c1\n",
      "O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)c2ccncc2)O1)NC1CCC1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)Cc2cc(N(C)C)ccc2O[C@@H]1CN(C)C(=O)Nc1ccccc1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)Nc3ccccc3)c2O[C@@H]1CN(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc3c(c2)OCO3)Oc2cc(C#CCN(C)C)ccc2S1(=O)=O\n",
      "COc1cccc(CN2C(=O)[C@@H]3Cc4c([nH]c5ccccc45)C(C)(C)N3C2=O)c1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CCCCC2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O\n",
      "Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1\n",
      "COc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3c(NC(=O)Nc4cccc5ccccc45)cccc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1\n",
      "COc1ccc(-c2ccc3cc(C(=O)O)ccc3c2)cc1C12CC3CC(CC(C3)C1)C2\n",
      "Cc1ccc(Cl)c(Cn2cnc3c(cnn3C(C)(C)C)c2=O)c1F\n",
      "O=C(N1CCOCC1)[C@@]1(CCS(=O)(=O)c2ccccc2)COC(c2ccc(OCCCO)cc2)=N1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)c2ccc3c(c2)OCO3)Oc2ncc(C3=CCCCC3)cc2C1=O\n",
      "Cc1cccc(Nc2nn3c(=O)c4ccccc4nc3s2)c1\n",
      "COc1cc(C)c2c(=O)c3c(O)cc(O)cc3oc2c1\n",
      "N#CC(C#N)=C(N)/C(C#N)=C/c1ccc2[nH]ccc2c1\n",
      "COc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)N(C)CC3\n",
      "CNC[C@@H]1Oc2cc(C#Cc3ccccc3F)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C\n",
      "CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O\n",
      "C=CCCCCCCCCC=O\n",
      "Oc1nc(-c2ccc(-c3cccc(Cl)c3)o2)nc2ccccc12\n",
      "COc1ccc2cc([C@@H](C)C(=O)O)ccc2c1\n",
      "S=C(NCCCc1c[nH]cn1)NCCCN(Cc1ccccc1)c1ccc(Br)cn1\n",
      "O=C1C=CC(=O)C2=C1C1c3ccccc3C2c2ccccc21\n",
      "C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C(Cl)=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO\n",
      "COCC(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(C#CC3CCCCC3)cnc2O[C@H]1CN(C)S(=O)(=O)c1cccc(F)c1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc3c(c2)OCO3)Oc2ncc(C#CCN(C)C)cc2C1=O\n",
      "O=C1NC(=O)[C@@H](c2cn3c4c(cccc24)CCC3)[C@@H]1c1c[nH]c2ccccc12\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)Cc1ccc2c(c1)OCCO2\n",
      "O=c1/c(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)sc2nc3cc(Br)cnc3n12\n",
      "CC/C=C\\C/C=C\\C/C=C\\CCCCCCCC(=O)O\n",
      "C=C1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12\n",
      "Cc1ccccc1S(=O)(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(C#CCN(C)C)cc1)[C@@H]2CO\n",
      "C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(C)=O)[C@H]2CN(C(=O)COC)C(C)C)cc1\n",
      "C[C@@H]1CN([C@H]2CC[C@](C#N)(c3ccc(F)cc3)CC2)CC[C@]1(C(=O)O)c1ccccc1\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Cc1ccccc1NC(=N)Nc1ccccc1C\n",
      "Brc1csc(N2CCNCC2)n1\n",
      "CC(=O)Nc1ccc(CC(=O)O)cc1\n",
      "COc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCN(C)Cc3ccccc3)cc2)cc1\n",
      "COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccccc1F)CC31CCN(CC2CC2)CC1\n",
      "C[C@@H]1C[C@@H]2O[C@H]2/C=C/C=C/C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1\n",
      "C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C\n",
      "O=C(/C=C/c1ccc(O)cc1)c1ccc(O)cc1O\n",
      "Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\\SC(=S)N(CCS(=O)(=O)O)C2=O)cc1\n",
      "CO[C@@H]1CN(C)C(=O)c2cc(C#N)ccc2OC[C@H]2O[C@H](CC[C@@H]2OC)CCN(C)C(=O)[C@H]1C\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O[C@H](C)CCCCO[C@H]1CN(C)Cc1ccncc1\n",
      "C=CC[C@]1(C(=O)NCCN2CCOCC2)COC(c2ccc(OCCCO)cc2)=N1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)NC3CCCCC3)c2O[C@@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1\n",
      "C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)C(=O)C1CCCCC1\n",
      "C[C@@H]1CCCCO[C@@H](CN(C)Cc2ccccc2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc4c(c3)OCO4)ccc2O1\n",
      "O=C(c1ccc(F)cc1)C1CCN(c2ncnc3sccc23)CC1\n",
      "CC1(C)N[C@H](C(=O)O)Cc2c1[nH]c1ccccc21\n",
      "Cc1cc(Cl)ccc1OCC(=O)N/N=C/c1ccc[nH]1\n",
      "COc1ccc(CNCc2cccc3ccccc23)cc1\n",
      "CN(C)Cc1cn(CC[C@@H]2CC[C@@H](NC(=O)Cc3cccnc3)[C@@H](CO)O2)nn1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)Nc3ccc(F)cc3)c2O[C@@H]1CN(C)S(=O)(=O)c1ccc(Cl)cc1\n",
      "CN1C(=O)c2cc(NC(=O)Cc3cccs3)ccc2OC[C@@H]2O[C@@H](CC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)CC[C@H]21\n",
      "O=C(O)Cc1cccc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)c1\n",
      "CCCOc1ccc2[nH]cc(C3=CCNCC3)c2n1\n",
      "CC(C)Oc1cccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)c1\n",
      "CCOC(=O)c1ncc2[nH]c3ccc(OCc4ccccc4)cc3c2c1COC\n",
      "CCOC(=O)c1cc(-c2ccc(Cl)cc2)nc(O)c1C#N\n",
      "O=C(C1CC1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccc1\n",
      "CN(C)CC(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NCc3cccnc3)O[C@@H](CO)[C@H]1O2\n",
      "CC(=O)Nc1ccc(/N=C/c2ccc(C)cc2)cc1\n",
      "COc1ccc2cc([C@H](C)CO)ccc2c1\n",
      "C(=Cc1ccccc1)CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)C3CCCCC3)c2O[C@H]1CN(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1\n",
      "CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)NCc1ccc(O)c(OC)c1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCN3CCOCC3)ccc2O[C@H]1CN(C)Cc1ccc(Cl)c(Cl)c1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CC2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C1=O\n",
      "O=C(O)COc1ccc(C(=O)c2cccs2)c(Cl)c1Cl\n",
      "C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)c1cccc(F)c1)[C@H](C)CN([C@H](C)CO)S2(=O)=O\n",
      "CCCCNc1c(C(=O)OCC)c(C)nc2c1cnn2CC\n",
      "CN/C(=N\\C#N)NCCSCc1nc[nH]c1C\n",
      "CCCNC(=O)c1cc2c(c(-c3cccc(-c4cccc(OC)c4)c3)n1)[C@@H](CCO)N([S@](=O)C(C)(C)C)C2\n",
      "COC(=O)C=Cc1cccc(N(Cc2ccc(-c3ccc(N(C)C)cc3)cc2)C(=O)C2CCCCC2)c1\n",
      "C[C@H]1CCCCO[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3cccc4ccccc34)ccc2O1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)CC2CCCCC2)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2C1=O\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Cc3cn(C)c4ccccc34)ccc2O[C@@H]1CN(C)Cc1ccc2c(c1)OCO2\n",
      "C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)C(=O)c1ccccc1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(=O)O)cc2)Oc2ccc(NC(=O)CCCN(C)C)cc2C1=O\n",
      "COc1ccccc1NCc1nc2ccccc2n1C\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(/C=C/c3ccccc3)cnc2O[C@H]1CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1\n",
      "COc1cc2c(cc1OC)[C@@H]1C(=O)c3ccc(O)c(CC=C(C)C)c3O[C@@H]1CO2\n",
      "CCOC(=O)CSC1=N/C(=C/c2ccc(-n3cncn3)cc2)C(=O)N1C(C)=O\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O[C@@H]1CN(C)S(=O)(=O)c1ccc(Cl)cc1\n",
      "OC(COc1ccc(F)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1\n",
      "C[C@H]1CCCCO[C@H](CN(C)S(=O)(=O)c2ccc(F)cc2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O1\n",
      "OC(c1ccccc1)(c1ccccc1)C1CCN(C(S)=Nc2ccc(F)cc2)CC1\n",
      "C[C@H]1CCCCO[C@H](CN(C)C(=O)Cc2ccccc2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(F)cc3)ccc2O1\n",
      "O=C(Cc1ccccn1)NCC[C@@H]1CC[C@H](NC(=O)Nc2ccc(Cl)cc2)[C@H](CO)O1\n",
      "O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cccc(C(F)(F)F)c2)O1)NCc1ccc(Cl)cc1\n",
      "CN([N+][O-])C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Cc3cn(C)c4ccccc34)ccc2O[C@@H]1CN(C)Cc1ccc2c(c1)OCO2\n",
      "COc1cc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc(OC)c1OC\n",
      "Oc1ncc(F)cn1\n",
      "CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2cc(OC)c(OC)cc2C[C@H]1C(=O)O\n",
      "COC(=O)N1C(=O)[C@@](c2ccccc2)(C2CCCC2)N1C(=O)OC\n",
      "CC(C)[C@H]1COCn2nncc2CC[C@H](C)C(=O)N1\n",
      "CC(C)(C)NC[C@H](O)c1ccc(O)c(CO)c1\n",
      "O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1\n",
      "Cc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cc1\n",
      "N#C/C(=C\\c1ccc(O)c(O)c1)C(=O)Nc1ccccc1\n",
      "C[C@H]1CCCCO[C@H](CN(C)C(=O)Nc2ccc3c(c2)OCO3)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2O1\n",
      "O=C1CN(S(=O)(=O)c2cccc(F)c2)C[C@H]2[C@H](c3ccc(C4=CCCC4)cc3)[C@@H](CO)N12\n",
      "C/C=C/c1ccc2c(c1)O[C@H](CN(C)C)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Nc2ccccc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O\n",
      "Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12\n",
      "CC=CCn1c(SCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C\n",
      "Cc1ccc2c(c1)Cc1c(C(=O)NC3CCCCC3)nn(-c3ccc(Cl)cc3Cl)c1-2\n",
      "C[C@H]1CCCCO[C@H](CN(C)Cc2ccc3c(c2)OCO3)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(N(C)C)ccc2O1\n",
      "CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1\n",
      "CCc1ccc(Oc2c(Cl)cnn(-c3ccc(C)cc3)c2=O)cc1\n",
      "N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O\n",
      "O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)c2ccccn2)O1)NC1CCC1\n",
      "CCC1=C(C)CN(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)N[C@H]3CC[C@H](C)CC3)cc2)C1=O\n",
      "O=C(NC[C@H]1N[C@H](CO)[C@@H]1c1ccc(-c2cncnc2)cc1)C1CCCC1\n",
      "CC1(C)O[C@@H]2C[C@H]3[C@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1\n",
      "CNC(=O)N(C)c1nnc(C(C)(C)C)s1\n",
      "C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)c1cccc(F)c1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O\n",
      "Cn1cnc2c1c(=O)[nH]c(=O)n2C\n",
      "CNC(=O)CCc1cc2ccccc2[nH]1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3cccc4ccccc34)ccc2O[C@@H]1CN(C)Cc1ccc(C(F)(F)F)cc1\n",
      "O=C(Nc1ccccc1-c1ccccc1)c1ccc(Br)o1\n",
      "Cc1ccc(Cn2ncc3c(N4CCN(c5ccc(C)cc5)CC4)ncnc32)cc1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)c3ccncc3)cc2C1=O\n",
      "CC(C)c1cc(/C=C(\\C#N)C(=O)NCCCc2ccccc2)cc(C(C)C)c1O\n",
      "O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1c(O)ccc2ccccc12\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O[C@H]1CN(C)Cc1ccc(Cl)c(Cl)c1\n",
      "CC(=O)Nc1ccc(/C=C/c2noc(-c3ccccc3O)n2)cc1\n",
      "CCCCc1ccc2nc(NC(=O)c3ccc(Br)o3)sc2c1\n",
      "C[C@H]1CCCCO[C@H](CN(C)Cc2ccccc2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O1\n",
      "C/C=C/c1ccc2c(c1)O[C@@H](CN(C)CC1CCOCC1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O\n",
      "CC(=NOC(=O)C1CCCCC1)c1nccs1\n",
      "N#C[C@H]1N[C@H](CO)[C@H]1c1ccc(C#Cc2cccnc2)cc1\n",
      "Nc1ncc2nc[nH]c2n1\n",
      "O=C(OCC#CCSc1nnc(-c2cccc3ccccc23)o1)c1ccsc1\n",
      "COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)N3CCOCC3)O[C@H](CO)[C@H]1O2\n",
      "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC\n",
      "O=C(OCC#CCSc1nnc(-c2cccc3ccccc23)o1)c1csc2ccccc12\n",
      "C[C@H]1CCCCO[C@@H](CN(C)C(=O)C2CCCCC2)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O1\n",
      "CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(CCC(F)(F)F)C[C@@H]34)cc2)c1\n",
      "C[C@H]1CCCCO[C@@H](CN(C)C(=O)NC2CCCCC2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2O1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)CC2CC2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O\n",
      "C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12\n",
      "C[C@@H]1CCCCO[C@H](CN(C)C(=O)NC2CCCCC2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O1\n",
      "O=C(O)c1ccc(-c2noc(-c3cccc(Cl)c3)n2)cc1\n",
      "COc1cc(/C=C(\\C#N)C(=O)c2ccc(O)c(O)c2)cc(I)c1O\n",
      "Cc1ccc(Nc2nc(NCCO)nc(N3CCCC3)n2)cc1\n",
      "CCOC(=O)C1CCN(C(=O)C(C)(C)NC(=O)Nc2ccc(F)c(F)c2)CC1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(N(C)C)ccc2O[C@H]1CN(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc4c(c3)OCO4)ccc2O[C@@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1\n",
      "CCc1ccccc1OC[C@@H](O)CN[C@H]1CCCc2ccccc21\n",
      "CNC[C@H]1Oc2cc(C#CCN(C)C)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C\n",
      "C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#Cc3ccccc3F)cc2O[C@H]1CN(C)CC1CCOCC1\n",
      "CN(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(CC4CCOCC4)C[C@@H]23)cc1\n",
      "CC1=NN(c2ccccc2)C(=O)C1\n",
      "C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)c1cccc(F)c1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O\n",
      "O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccc(Oc3ccccc3)cc2)O1)N1CCc2ccccc2C1\n",
      "CC1=C(/C=C/C(C)=C\\C=C\\C(C)=C\\C(=O)O)C(C)(C)CCC1\n",
      "O=C(O)CN1C(=O)c2cccc3cccc(c23)C1=O\n",
      "COc1cc(OC)cc(-c2csc(N3CCC(C(N)=O)CC3)n2)c1\n",
      "CN(C)/N=N/c1[nH]cnc1C(N)=O\n",
      "O=S(=O)(c1ccccc1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2CC1CCCC1\n",
      "CCOC(=O)/N=c1/c[n+](N2CCOCC2)[n-]o1\n",
      "COc1ccc2c(c1)N(C[C@H](C)CN(C)C)c1ccccc1S2\n",
      "COC(=O)CCCCCCC(=O)N/N=C/c1ccc(Sc2nnc(C)n2C)o1\n",
      "COC(=O)/C=C/c1cc(O)ccc1O\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1)OCCCC[C@H](C)O2\n",
      "COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "O=C(C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccc2c(c1)OCO2\n",
      "O=C(O)Cn1c(C(=O)Nc2nc(-c3ccccc3Cl)cs2)cc2ccccc21\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)c3ccc(-c4nccs4)cc3)c2O[C@H]1CN(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1\n",
      "Cc1cncc2cccc(S(=O)(=O)N[C@H]3CCNC3)c12\n",
      "COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(NCC=O)c2)c(OC)c1\n",
      "COC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4ccc(C(F)(F)F)cc4)cc3C(=O)N2C)O1\n",
      "C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O\n",
      "c1ccc2[nH]c(CCn3c4ccccc4c4ccccc43)nc2c1\n",
      "C[As](C)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O\n",
      "CC(C)(C)n1ncc2c(=O)n(Cc3cc(F)c(Cl)cc3Cl)cnc21\n",
      "Fc1cccc(CN2C[C@H]3N[C@@H](C2)[C@H]3c2ccc(-c3cncnc3)cc2)c1\n",
      "Cc1cccc(-c2ccc([C@@H]3[C@H](CO)N4CCCCN(S(=O)(=O)c5ccccc5C)C[C@@H]34)cc2)c1\n",
      "O=C(OCC#CCSc1nnc(-c2cccc3ccccc23)o1)c1cccc2[nH]ccc12\n",
      "Cc1cc(C(=O)Nc2ccc3c(c2)C(=O)N(C)[C@@H]2CC[C@H](CC(=O)NCc4ccc(-c5ccccc5)cc4)O[C@@H]2CO3)no1\n",
      "CS(=O)(=O)c1nc(-c2ccc(Br)cc2)cs1\n",
      "O=C(C[C@@H]1C[C@@H]2c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1\n",
      "CC(=O)[C@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C\n",
      "OCCNc1nc(Nc2ccccc2Cl)nc(N2CCCC2)n1\n",
      "C[C@H]1CCCCO[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc4c(c3)OCO4)ccc2O1\n",
      "CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@H]2N(C)C1\n",
      "O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O\n",
      "Cc1cc2nc(SCCN3CCCC3)[nH]c2cc1C\n",
      "COc1ccc(C[C@H](N)C(=O)N[C@@H]2[C@@H](CO)O[C@@H](n3cnc4c(N(C)C)ncnc43)[C@@H]2O)cc1\n",
      "N#C[C@@H]1[C@@H](c2ccc(C3=CCCCC3)cc2)[C@H](CO)N1C(=O)c1cccc(F)c1\n",
      "COC(=O)CN1CN(c2ccccc2)C2(CCN(Cc3ccc4ccccc4c3)CC2)C1=O\n",
      "C[C@@H]1CCCCO[C@@H](CN(C)C(=O)Nc2ccc(F)cc2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2O1\n",
      "CC(C)(C)[C@@H]1C=C(C(=O)O)O[C@H](OCc2ccc(CO)cc2)C1\n",
      "COc1ccc(Oc2c(Cl)cnn(-c3cc(C)cc(C)c3)c2=O)cc1\n",
      "C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1\n",
      "COc1ccc(Sc2ccc(NC(=O)c3cccc(Cl)c3)cc2C#N)cc1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O[C@@H]1CN(C)Cc1ccccc1\n",
      "O=C(c1ccc(Cl)cc1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1\n",
      "CCC1(CC)C(=O)C=CNC1=O\n",
      "O=c1c2cc(C(F)(F)F)ccc2sn1-c1ccccc1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O\n",
      "Cc1cc(C)c(N(Cc2ccccc2)S(=O)(=O)c2ccc(OCCNC(=O)c3cc4ccccc4o3)cc2)c(C(=O)NO)c1\n",
      "O=C(Cc1ccccn1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CCC4CCCC4)cc3)[C@@H]2C1\n",
      "CC(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccccn4)C[C@@H]23)cc1\n",
      "CCOC(=O)C=C(C)C=CC=C(C)C=Cc1c(C)cc(OC)c(C)c1C\n",
      "C=CCNC(=O)c1cc([N+](=O)[O-])cc2c(=O)[nH]c(Nc3ccc(Cl)c(Cl)c3)nc12\n",
      "CSc1sc(-c2ccn(C(=O)Nc3ccccc3)n2)c2c1C(=O)CC(C)(C)C2\n",
      "Cc1cccc(NC(=O)/C(C#N)=C/c2cn(CC(=O)NCc3ccco3)c3ccccc23)c1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(C#CCN(C)C)cnc2O[C@H]1CN(C)Cc1ccc(F)cc1\n",
      "COc1ccc(C(=O)ON=C(C)c2nccs2)cc1\n",
      "COc1cccc(CNC(=O)c2cc3c(c(-c4cccc(-c5ccncc5)c4)n2)[C@@H](CCO)N([S@](=O)C(C)(C)C)C3)c1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)c3ccncc3)cc2C1=O\n",
      "O=C(Nc1cc(C(=O)Nc2ccc(S(=O)(=O)O)c(S(=O)(=O)O)c2)cc(C(=O)Nc2ccc(S(=O)(=O)O)c(S(=O)(=O)O)c2)c1)Nc1cc(C(=O)Nc2ccc(S(=O)(=O)O)c(S(=O)(=O)O)c2)cc(C(=O)Nc2ccc(S(=O)(=O)O)c(S(=O)(=O)O)c2)c1\n",
      "C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)C(=O)c1ccc(F)cc1\n",
      "Cn1nnnc1Sc1ncnc2scc(-c3cccc(C(F)(F)F)c3)c12\n",
      "CC(C)(O)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1\n",
      "Cn1ccc2cc3c(cc21)CCN3C(=O)Nc1cccnc1\n",
      "C[C@H]1CCCCO[C@H](CN(C)CC2CCCCC2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3cn(C)cn3)ccc2O1\n",
      "CC(C)(C)c1cc(O)ccc1O\n",
      "CO[C@@H](CN(C)S(=O)(=O)c1ccc(F)cc1)[C@H](C)CN(C(=O)Nc1ccccc1F)[C@@H](C)CO\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Cc3ccccc3)cc2C1=O\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2O[C@H]1CN(C)Cc1ccc(C(F)(F)F)cc1\n",
      "CC(C)NCCCn1c(Sc2cc3c(cc2I)OCO3)nc2c(N)ncnc21\n",
      "O=C(NCCCn1ccnc1)c1sc2cc([N+](=O)[O-])ccc2c1Cl\n",
      "Clc1nssc1=Nc1nncs1\n",
      "CN(C)CCC=C1c2ccccc2COc2ccccc21\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)CCN3CCOCC3)ccc2O[C@@H]1CN(C)Cc1ccc(-c2ccccc2)cc1\n",
      "CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(C(=O)O)cc3)ccc21\n",
      "CNC[C@H]1Oc2ncc(-c3ccc(C)cc3)cc2C(=O)N([C@H](C)CO)C[C@H]1C\n",
      "CC(C)(OC(=O)c1ccccc1)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1\n",
      "c1cncc([C@H]2CCCCN2)c1\n",
      "CCCCOc1ccc(CC(=O)NO)cc1\n",
      "O=C(N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1F)c1ccccn1\n",
      "COC(=O)c1ccc(NCc2cc(O)ccc2O)cc1\n",
      "CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O[C@H]1CN(C)S(=O)(=O)c1ccc(F)cc1\n",
      "CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC\n",
      "CC(=O)O[C@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@@H](CC[C@H]6[C@@H]5C[C@@H](O)[C@]5(C)[C@@H](C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)C3CC3)c2O[C@H]1CN(C)S(=O)(=O)c1cccs1\n",
      "O=C(CSc1cccc2cccnc12)N1CCCC1\n",
      "COC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4cccc(Cl)c4)cc3C(=O)N2C)O1\n",
      "CCc1nc(SCC(=O)N2CCc3cc(OC)c(OC)cc3C2)c(C#N)cc1C\n",
      "COc1ccccc1NC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cccc(C#N)c4)cc3)[C@@H]2C1\n",
      "NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NCNS2(=O)=O\n",
      "COc1ccc(CN(C)C[C@H]2OCCCC[C@@H](C)Oc3ccc(NC(=O)C4CCCCC4)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1\n",
      "CN(C)CCN(C)CCc1ccc(Cl)c(Cl)c1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O[C@H]1CN(C)S(=O)(=O)c1ccccc1\n",
      "OC[C@H]1[C@@H](c2ccc(-c3cccnc3)cc2)[C@H]2CN(CC3CCOCC3)CCCCN21\n",
      "CC(C)NC(=O)N(C)C[C@H]1OCCCC[C@@H](C)Oc2ccc(NC(=O)NC3CCCCC3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C\n",
      "COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1\n",
      "COc1ccc(-c2cccc(-c3nc(C(=O)NCC(F)(F)F)cc4c3[C@@H](CCO)N([S@](=O)C(C)(C)C)C4)c2)cc1\n",
      "Cc1cccc(CN(C)C[C@H]2OCc3cnnn3CCCC(=O)N([C@H](C)CO)C[C@H]2C)c1\n",
      "N=C(N)NC(=N)Nc1cccc(Cl)c1\n",
      "O=c1[nH]c(N2CCCC2)nc2ccccc12\n",
      "COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(CC1CC1)CC31CN(Cc2ccc(F)cc2)C1\n",
      "OCCNc1nc(Nc2cc(Cl)ccc2OC2CCCC2)nc(N2CCCC2)n1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(N(C)C)ccc2O[C@@H]1CN(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1\n",
      "O=C(Cn1c(=O)c2cccn2c2cccnc21)NCCCN1CCN(c2ccc(Cl)cc2)CC1\n",
      "O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@H]2[C@@H](CO)O1)NCc1cc(F)ccc1F\n",
      "COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(-n2nc(C)cc2C)cc1\n",
      "C[C@H]1CCCCO[C@@H](CN(C)C(=O)Cc2ccccc2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc4c(c3)OCO4)ccc2O1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O[C@@H]1CN(C)Cc1ccc2c(c1)OCO2\n",
      "COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC\n",
      "COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)Cc2ccc(-c4ccccc4)cc2)O3)cc1\n",
      "CN(C)C(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4ccc(F)cc4)cc3C(=O)N2C)O1\n",
      "O=C1c2ccccc2CCc2ccc(Br)cc21\n",
      "CC1CCN(C(=O)Cn2c3ccccc3c3nc4n(c(=O)c32)CCCS4)CC1\n",
      "CN(C)CCC=C1c2ccccc2COc2ccc(CC(=O)O)cc21\n",
      "O=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)c1ccc(Cl)s1\n",
      "CCOc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1[N+](=O)[O-]\n",
      "COCC(=O)N1[C@H](CO)[C@@H](c2ccc(C3=CCCCC3)cc2)[C@@H]1C#N\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCC(F)(F)F)ccc2O[C@H](C)CCCCO[C@@H]1CN(C)C(=O)NC1CCCCC1\n",
      "COC(=O)Cn1nc(-c2ccccc2)c2ccccc21\n",
      "O=[N+]([O-])c1c(Br)cccc1/N=c1/ssnc1Cl\n",
      "CC(C)C#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(S(=O)(=O)c4ccccc4)C[C@H]23)cc1\n",
      "COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccccc1Cl)CC31CN(C(=O)CC2CC2)C1\n",
      "CON=C(C(=O)N[C@H]1C(=O)N2C(C(=O)O)=C(COC(N)=O)CS[C@H]12)c1ccco1\n",
      "CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2)[C@H](OC(=O)Nc2ccccc2-c2ccccc2)[C@@H]1OC(=O)Nc1ccccc1-c1ccccc1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccccc2)Oc2cc(C#CCN(C)C)ccc2S1(=O)=O\n",
      "COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1\n",
      "C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccncc2)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3cccs3)cc2C1=O\n",
      "C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@@H]1CN(C)Cc1ccccc1\n",
      "COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1\n",
      "CC(C)NC[C@@H](O)c1ccc(O)c(O)c1\n",
      "CN1c2ccc(C3=CCCCC3)cc2[C@@H]2[C@@H](CCN2C(=O)C2CCC2)[C@H]1CO\n",
      "CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C\n",
      "CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1\n",
      "CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NCCN3CCCCC3)nc(-c3cccc(-c4ccc(C#N)cc4)c3)c2[C@H]1CCO\n",
      "COc1ccccc1S(=O)(=O)N[C@@H]1CC[C@H](CCNC(=O)C2CCOCC2)O[C@@H]1CO\n",
      "O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ccccc2N1\n",
      "C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)Cc1cncnc1\n",
      "COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CN(C(C)=O)C1\n",
      "O=C(O)c1ccc2c(c1)C(=O)N([C@H](Cc1cccc3ccccc13)C(=O)O)C2=O\n",
      "CC(C)C[C@@H]1NC(=O)[C@H]2C[C@@H](C(=O)NCCCCCNC(=O)CS)[C@@H](c3ccc(O)cc3)N2C1=O\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Cn1c(=O)c([N+][O-])c(N)n(Cc2ccccc2)c1=S\n",
      "Cc1ccc(C=C2CNCC(=Cc3ccc(C)cc3)C2=O)cc1\n",
      "Cc1cc(C)nc(SCC(=O)c2ccc(O)c(O)c2)n1\n",
      "COc1ccc(OC)c(NC(=O)c2ccccc2OC(C)=O)c1\n",
      "C[C@H]1[C@@H](c2ccccc2)OC(=O)CC/C=C/C[C@@H](CC(=O)NCc2ccc(Cl)cc2)C(=O)N1C\n",
      "CC(=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C(=O)C[C@]12C\n",
      "COc1c2c(cc3c1OCO3)CCN(C)C2\n",
      "O=C1C(=O)N(Cc2ccc(-c3ccccc3)cc2)c2ccc(OC(F)(F)F)cc21\n",
      "COc1cccc(-c2ccc([C@H]3[C@H]4CN(S(=O)(=O)c5ccccc5F)C[C@@H]3N4)cc2)c1\n",
      "COc1cc(F)c(S(=O)(=O)N2CCCN(S(=O)(=O)c3cccc(N)c3)CC2)c(F)c1\n",
      "COC1=C(OC)C(=O)C(CCCCCCCCCCO)=C(C)C1=O\n",
      "C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)C(=O)C1CC1\n",
      "CC(=O)Nc1nc(-c2ccccc2)nc(-c2ccccc2OC(C)=O)n1\n",
      "COc1cc(-c2ccc(=O)[nH]n2)ccc1OC(F)F\n",
      "Cc1noc(C)c1NC(=O)Nc1cccc2c1O[C@@H](CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1)[C@H](C)CN([C@H](C)CO)C2=O\n",
      "O=C(Cc1ccccc1)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12\n",
      "CC(C)(C)[S@](=O)N1Cc2cc(C(=O)NCCN3CCCCC3)nc(-c3cccc(-c4cccc(C#N)c4)c3)c2[C@@H]1CCO\n",
      "COCC(=O)N1CC2(C1)CN(S(C)(=O)=O)[C@H](CO)c1[nH]c3cc(OC)ccc3c12\n",
      "CC(C)NC(=O)N(C)C[C@H]1OCCCC[C@@H](C)Oc2ccc(NC(=O)C3CCCCC3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C\n",
      "CCn1cc(C(=O)O)c(=O)c2cnc(N3CCCC3)nc21\n",
      "Cc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)n(C)c1=O\n",
      "O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1\n",
      "CC(C)c1cccc(=O)c(O)c1\n",
      "CN(C)CC/C=C1/c2ccccc2COc2ccccc21\n",
      "Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3nccnc3c2)n1\n",
      "CCc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc1\n",
      "COC(=O)CSc1nc2ccccc2[nH]1\n",
      "CN(C)CC(=O)N[C@@H]1C[C@@H]2O[C@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(C2=CCCCC2)cc1\n",
      "C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccncc3)cc2O[C@@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1\n",
      "COc1ccccc1NC(=O)CSc1nc2ccccc2o1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O\n",
      "CCCCn1c(=O)c2c(ncn2CC(C)=O)n(CCCC)c1=O\n",
      "COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O\n",
      "CC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2\n",
      "c1ccc2c(Cc3c[nH]c4ccccc34)c[nH]c2c1\n",
      "NCc1ccccc1CC(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nnnn3CC(=O)O)CS[C@H]12\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)c2O[C@H]1CN(C)CC1CC1\n",
      "CN(C)C(=O)n1nnnc1Cc1ccc(-c2ccccc2)cc1\n",
      "CCN(C[C@H]1N[C@H](CO)[C@@H]1c1ccccc1)C(=O)c1ccncc1\n",
      "COc1ccc2[nH]cc(CCNCc3ccc(Br)cc3)c2c1\n",
      "CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1\n",
      "CN1C[C@@H](O)COC[C@H]2O[C@H](CC(=O)N3CCN(c4ccccc4)CC3)CC[C@@H]21\n",
      "Nc1nc(CSc2nnc3c(n2)[nH]c2ccccc23)cs1\n",
      "Cc1c(P(=S)(c2ccccc2)c2ccccc2)n2ccccc2[n+]1C/C=C/c1ccccc1\n",
      "CC(O)(P(=O)(O)O)P(=O)(O)O\n",
      "O=C(CN1CCOCC1)NN=Cc1ccc([N+](=O)[O-])o1\n",
      "Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1\n",
      "C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@H]1C(=O)COC(=O)C(C)(C)C\n",
      "CCC(=O)Nc1cccc(NC(=O)c2ccccc2Br)c1\n",
      "COc1ccc(CN(C)C[C@H]2Oc3ccc(NC(=O)Cn4cnnn4)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1\n",
      "COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)c1ccncc1)CC31CN(C(C)=O)C1\n",
      "C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@@H]1CN(C)Cc1ccccn1\n",
      "CCN(CC)C(=O)c1ccc(O)c(OC)c1\n",
      "Cc1cc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)ccc1Cl\n",
      "CN(C)C/C=C/C(=O)Nc1cccc(Nc2ncc3c(n2)N(C)c2ccccc2C(=O)N3C)c1\n",
      "C[C@H]1CCCCO[C@@H](CN(C)C(=O)Nc2ccccc2)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2O1\n",
      "C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C\n",
      "N#Cc1cccc(-c2ccc([C@H]3[C@H]4CN(Cc5cocn5)C[C@@H]3N4)cc2)c1\n",
      "CCCCNc1cc(C(=O)O)cc(S(N)(=O)=O)c1Oc1ccccc1\n",
      "Cc1noc(C)c1S(=O)(=O)Nc1cccc2c1O[C@@H](CN(C)S(=O)(=O)c1ccc(Cl)cc1)[C@@H](C)CN([C@@H](C)CO)C2=O\n",
      "CC(C)(O)[C@H]1O[C@H]2CC[C@@]3(C)[C@@](O)(CC[C@H]4Cc5c([nH]c6ccccc56)[C@@]43C)C2=CC1=O\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)C)O2\n",
      "O=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1\n",
      "CO[C@H]1C[C@H](O[C@@H]2[C@@H](C)C(=O)O[C@H](C)[C@H](C)[C@H](OC(C)=O)[C@@H](C)C(=O)[C@]3(CO3)C[C@H](C)[C@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3OC(C)=O)[C@H]2C)O[C@@H](C)[C@@H]1OC(C)=O\n",
      "CCOc1ccc(NC(C)=O)cc1\n",
      "Cc1ccc(S(=O)(=O)NC2CCCCCCC2)cc1\n",
      "COc1cc(/C=C2\\SC(Nc3ccccc3OC)=NC2=O)ccc1O\n",
      "C/C=C/c1ccc([C@H]2[C@H]3CNC[C@@H]2N3S(=O)(=O)c2c(C)noc2C)cc1\n",
      "CN(C)CCCN1c2ccccc2CCc2ccccc21\n",
      "C=C1C/C(=C/C)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@]1(C)O)[C@H]23\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CC2)OCCCC[C@@H](C)Oc2ccc(NC(=O)c3ccccc3)cc2C1=O\n",
      "COc1ccc(S(=O)(=O)Nc2cccc3c2O[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)[C@H](C)CN([C@H](C)CO)C3=O)cc1\n",
      "C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)C3CCCC3)[C@H]2CNCC)cc1\n",
      "[C-]#[N+]C(C#N)=Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1\n",
      "O=c1c2ccccc2sn1-c1ccccc1F\n",
      "COc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3CC(=O)N([C@H](C)CO)C[C@H]2C)cc1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)c3ccncc3)c2O[C@@H]1CN(C)Cc1ccc(C(F)(F)F)cc1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)Cc1ccc2c(c1)OCCO2\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)NC3CCCCC3)c2O[C@@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1\n",
      "Cc1n[nH]c2ccc(-c3cncc(OC[C@@H](N)Cc4c[nH]c5ccccc45)c3)cc12\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(C3=CCCCC3)cnc2O[C@@H]1CN(C)C(=O)c1cccc(F)c1\n",
      "CCc1cnc(N2[C@H](C#N)[C@@H](c3ccc(-c4cccc(F)c4)cc3)[C@H]2CO)s1\n",
      "CC(C)N1CCc2c(sc(NC(=O)C(F)F)c2-c2nc3ccccc3s2)C1\n",
      "N#C[C@@H]1[C@@H](c2ccc(C3=CCCCC3)cc2)[C@H](CO)N1C(=O)NC1CCCC1\n",
      "Oc1ccc(CNc2cccc(F)c2)c2cccnc12\n",
      "C=CCOC(=O)C1=C[C@H](c2coc3ccccc3c2=O)C[C@H](OCc2ccc(CO)cc2)O1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)c3ccncc3)c2O[C@@H]1CN(C)Cc1ccccc1\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(=O)NC(C)C)OCCCC[C@@H](C)O2\n",
      "Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)S(=O)(=O)c1ccc(F)cc1)OCCCC[C@H](C)O2\n",
      "C[C@H]1CCCCO[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc4c(c3)OCO4)ccc2O1\n",
      "COC(=O)[C@@H](N)CSC/C=C(\\C)CC/C=C(\\C)CCC=C(C)C\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2cccc3ccccc23)Oc2ccc(N(C)C)cc2CC1=O\n",
      "C[C@H](NC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C)O1)c1ccccc1\n",
      "C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)NC3CCCCC3)cc2CC1=O\n",
      "Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc2ccc(-c4ccccc4)cc2)O3)cc1\n",
      "CCCN(C)C[C@H]1Oc2cc(C#Cc3ccccc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C\n",
      "COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CCN(C(=O)c2cccc(F)c2)CC1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)c3ccncc3)ccc2O[C@@H]1CN(C)Cc1ccc(Cl)c(Cl)c1\n",
      "COc1ccc([C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2)cc1O\n",
      "O=C(Nc1ccccc1)c1cccc(S(=O)(=O)NCCC23CC4CC(CC(C4)C2)C3)c1\n",
      "Cc1cc(C(=O)CN2C(=O)CCC2=O)c(C)n1Cc1ccccc1\n",
      "COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CCN(CC2CCCC2)CC1\n",
      "N#Cc1nc(Nc2cc(F)cc(F)c2)c2ncn(CC(F)F)c2n1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(C#Cc3ccncc3)cnc2O[C@@H]1CN(C)CC1CCOCC1\n",
      "CC(=O)N1[C@@H](CO)[C@H](c2ccccc2)[C@@H]1CN(C(=O)NC(C)C)C1CCCC1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(C#CCN(C)C)cnc2O[C@H]1CN(C)Cc1ccccc1F\n",
      "COc1ccc([N+][O-])c(CCc2cc(OC)ccc2[N+][O-])c1\n",
      "Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O\n",
      "C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3cccc(C#N)c3)cc2O[C@@H]1CN(C)C\n",
      "C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)C3CC3)[C@H]2CNC(=O)NC(C)C)cc1\n",
      "C[C@]12CC[C@@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@H]1CCC2=O\n",
      "CN1CCc2cc(O)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3\n",
      "C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO\n",
      "CCSc1nc(O)cc(-c2ccccc2)n1\n",
      "C[C@H]1CCCCO[C@H](CN(C)S(=O)(=O)c2ccc(F)cc2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2O1\n",
      "O=C(Cn1sc2ccccc2c1=O)Nc1ccc(F)cc1\n",
      "CCCN(C)C[C@@H]1Oc2ncc(-c3ccccc3)cc2C(=O)N([C@H](C)CO)C[C@H]1C\n",
      "CC(=O)c1c(O)c(C)c(O)c(Cc2c(O)c3c(c(C(=O)C=Cc4ccccc4)c2O)OC(C)(C)C=C3)c1O\n",
      "CO[C@H]1CC[C@H]2CCOc3c(C#N)cccc3C(=O)N(C)C[C@H](OC)[C@H](C)C(=O)N(C)C[C@@H]1O2\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)NC3CCCCC3)c2O[C@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1\n",
      "FC(F)Oc1ccc(C2=Nn3c(nnc3-c3ccccc3Cl)SC2)cc1OCC1CC1\n",
      "CN1[C@@H]2CC[C@@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2\n",
      "COc1cc(C)nc(-n2nc(C)cc2OC)n1\n",
      "Cn1nnnc1Sc1ncnc2scc(-c3ccccc3)c12\n",
      "CC(=O)[C@H]1[C@H](C#N)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccccn2)Oc2cc(C3=CCCCC3)ccc2S1(=O)=O\n",
      "CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C\n",
      "CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3[C@H]2SC(C)(C)[C@@H]3C(=O)O)c2ccccc2)C(=O)C1=O\n",
      "O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2cc(F)ccc2F)O1)NCc1ccc(Cl)cc1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2cccnc2)Oc2cc(C3=CCCCC3)ccc2S1(=O)=O\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)Nc3ccc(F)cc3)c2O[C@H]1CN(C)Cc1ccc(C(F)(F)F)cc1\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "CN(C)CC[C@@H](c1ccc(Cl)cc1)c1ccccn1\n",
      "CC(C)[C@]12O[C@H]1[C@@H]1O[C@@]13[C@@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13[C@@H]2O\n",
      "CC(C)(C)Sc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12\n",
      "O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@@H](CO)O1)NC1CCCC1\n",
      "O=S(=O)(NC1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)c1ccc2c(c1)OCCO2\n",
      "O=C1Nc2ccc(I)cc2C1=Cc1cc(Br)c(O)c(Br)c1\n",
      "Cc1cc(C(=O)Nc2nc[nH]n2)ccc1[N+](=O)[O-]\n",
      "O=C(c1ccc(F)cc1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2cccnc2)cc1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(C3=CCCCC3)cnc2O[C@H]1CN(C)C(=O)c1cccc(F)c1\n",
      "CC1(C)C2=[N+]([O-])c3cc4c(cc3C2=C[C@@]23NC(=O)[C@]5(CCCN5C2=O)C[C@@H]13)OCO4\n",
      "O=c1[nH]c2ccccc2c(Cl)c1[N+](=O)[O-]\n",
      "COc1ccc(S(=O)(=O)N(C)C[C@H]2OCCCC[C@H](C)Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2ccccc2-c2ccccc2CO[C@H]1CN(C)Cc1ccc2c(c1)OCO2\n",
      "CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3\n",
      "CN1c2ccc(C#Cc3cccnc3)cc2[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccccc2F)[C@H]1CO\n",
      "O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2ccncc2)O1)NCc1cc(F)cc(F)c1\n",
      "O=C(Nc1ccccc1F)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2ccncc2)cc1\n",
      "Cc1nc(N)sc1CCN\n",
      "COc1ccc2c3c([nH]c2c1)[C@H](CO)NCC31CCN(C(=O)Nc2ccc3c(c2)OCO3)CC1\n",
      "Fc1cccc(Nc2nc(-c3ccncc3)nc3ccccc23)c1\n",
      "CC(C)n1c(C=C[C@H](O)C[C@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21\n",
      "COc1ccc(S(=O)(=O)N(C)C[C@@H]2Oc3c(NC(=O)Nc4cccc5ccccc45)cccc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1\n",
      "CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2sccc2C)cc1\n",
      "CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C\n",
      "Oc1ccc(Oc2ccccc2F)c2cccnc12\n",
      "COCc1cn(CC[C@@H]2CC[C@@H](NC(=O)Nc3ccc(C(F)(F)F)cc3)[C@H](CO)O2)nn1\n",
      "O=C(Nc1ccc(NC(=O)c2ccccc2Cl)c(Cl)c1)c1ccccn1\n",
      "Oc1ccc(CNc2ccccc2Br)c2cccnc12\n",
      "Fc1ccccc1-c1nnc2n1N=C(c1ccc(OC(F)F)c(OCC3CC3)c1)CS2\n",
      "CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O\n",
      "C[C@@H]1Cc2c(Cl)cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(O)c2C(=O)O1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccc(F)cc2)Oc2ccc(NC(=O)C3CCCCC3)cc2C1=O\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)Nc3cccc4ccccc34)c2O[C@@H]1CN(C)Cc1ccc(Cl)c(Cl)c1\n",
      "CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCC(=O)O\n",
      "CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C\n",
      "CC(=O)Oc1ccc(C(c2ccc(OC(C)=O)cc2)c2ccccn2)cc1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C)Oc2cc(C3=CCCCC3)ccc2S1(=O)=O\n",
      "COc1ccccc1S(=O)(=O)N[C@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@H]1CO\n",
      "COc1ccc(N2CCN(CCCNC(=O)Cn3c(=O)c4cccn4c4cccnc43)CC2)c(OC)c1\n",
      "COc1ccc(Sc2ccc(NC(=O)c3ccccc3Cl)cc2C#N)cc1\n",
      "Cc1cccc(C)c1-n1nnnc1SCc1nc(N)nc(N(C)C)n1\n",
      "O=S(=O)(c1ccc(F)cc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1Cl\n",
      "CCN(CC)C(=O)Cn1c2ccccc2c2nc3n(c(=O)c21)CCS3\n",
      "C[C@H]1CCCCO[C@@H](CN(C)C(=O)Cc2ccccc2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(N(C)C)ccc2O1\n",
      "CCC(=O)N1CCN(c2ccc(-n3c(=O)ccc4cnc5ccc(-c6cnc7ccccc7c6)cc5c43)cc2C(F)(F)F)CC1\n",
      "O=S(=O)(NCC1CN(S(=O)(=O)c2c(F)cccc2F)C1)c1ccc2c(c1)OCCO2\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)C)O2\n",
      "CN1CCCCN2[C@H](C1)[C@H](c1ccc(-c3cccnc3)cc1)[C@@H]2CO\n",
      "O=c1[nH]c(=O)c2nc3ccccc3nc2[nH]1\n",
      "C=CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1cccc(OC)c1\n",
      "Cn1cnc(S(=O)(=O)N[C@H]2C=C[C@@H](CC(=O)N3CCN(c4ccccc4)CC3)O[C@H]2CO)c1\n",
      "CC[C@]12CCCN3CCc4c(n(c5ccccc45)C(=O)C1)[C@@H]32\n",
      "CC(C)(C)c1cc(C=C(C#N)C#N)cc(C(C)(C)C)c1O\n",
      "CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4)cc2)cc1\n",
      "COCC(=O)NC[C@@H]1[C@H](c2ccccc2)[C@H](CO)N1C(=O)c1ccccc1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2ccccc2-c2ccccc2CO[C@@H]1CN(C)C(=O)Nc1ccc(F)cc1\n",
      "Cc1ccc(-n2nc3ccc(NC(=O)COc4ccccc4C)cc3n2)cc1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccccc2)Oc2cc(C3=CCCCC3)ccc2S1(=O)=O\n",
      "CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCN(C)C2\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)CCCN(C)C)ccc2O[C@@H]1CN(C)Cc1ccc(C(F)(F)F)cc1\n",
      "C#Cc1cc(N2CCN(C(=O)c3ccoc3)CC2)n2nc(-c3cccc(Cl)c3)cc2n1\n",
      "O=C(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccc(F)cc1Cl\n",
      "O=C(c1cccc(F)c1)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4ccccc4)cc3[C@H]21\n",
      "O=C(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccccc1C(F)(F)F\n",
      "CCCNC(=O)N1C[C@H](O)COC[C@H]2O[C@@H](CC(=O)NCc3ccc(Cl)c(Cl)c3)CC[C@@H]21\n",
      "COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CN(C(=O)c2ccccn2)C1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)Cc2cc(NS(=O)(=O)c3ccccc3)ccc2O[C@@H]1CN(C)CC1CCCCC1\n",
      "O=C(c1cccnc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)CN1CCOCC1\n",
      "C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@@H](CC[C@H]6[C@@H]5C[C@@H](O)[C@]5(C)[C@@H](C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O\n",
      "COc1cccc(-c2cc3nc(C)c(C)c(N4CCN(Cc5ccco5)CC4)n3n2)c1\n",
      "C[C@H](NC(=O)C[C@@H]1CC[C@H](NS(=O)(=O)c2cccc(F)c2)[C@H](CO)O1)c1ccccc1\n",
      "CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O[C@@H]1CN(C)Cc1ccc(-c2ccccc2)cc1\n",
      "C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3cccnc3)cc2O[C@@H]1CN(C)CC1CC1\n",
      "O=C(OCC#CCSc1nnc(-c2cccc3ccccc23)o1)c1ccc2ccccc2c1\n",
      "OC[C@H]1O[C@@H](n2cnc3c(N[C@H]4CCC[C@@H]4O)ncnc32)[C@H](O)[C@@H]1O\n",
      "COc1ccc(NC(=O)N(C)C[C@@H]2OCCCC[C@H](C)Oc3ccc(NC(=O)C4CCCCC4)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1\n",
      "Cc1occc(=O)c1O\n",
      "O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O\n",
      "CC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1\n",
      "O[C@@H](c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)[C@H]1CCCCN1\n",
      "C/C=C/c1ccc([C@H]2[C@@H](CO)N(CC3CCCC3)[C@@H]2CNC(=O)NC(C)C)cc1\n",
      "CCCc1c(OCCCOc2ccc(OCC(=O)O)cc2)ccc(CC=O)c1O\n",
      "CN(C)CC(=O)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NCc3cccnc3)O[C@H](CO)[C@@H]1O2\n",
      "CC(C)(C)Cc1nnc(NC(=O)COc2ccc(Cl)cc2Cl)o1\n",
      "C[C@H]1CCCCO[C@H](CN(C)S(=O)(=O)c2ccccc2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O1\n",
      "CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1\n",
      "COc1cc(C)c(C(=O)Oc2cc(C)c(O)c(C(=O)O)c2C)c(O)c1C=O\n",
      "O=C1Nc2ccc(Cl)cc2[C@@](C#CC2CC2)(C(F)(F)F)O1\n",
      "C/C(=N\\NC(=O)C1CCCC1)c1ccc(NC(=O)C(F)(F)F)cc1\n",
      "Cc1ccc(-c2ccc([C@H]3[C@H](CO)N4C(=O)CN(C(=O)NC(C)C)C[C@@H]34)cc2)cc1\n",
      "Cc1cccc(C)c1NC(=O)C[N+](C)(C)C\n",
      "CO[C@@]1(NC(=O)[C@H](C(=O)O)c2ccc(O)cc2)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CO[C@@H]21\n",
      "C[C@H]1CCCCO[C@H](CN(C)C(=O)Nc2cccc3ccccc23)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O1\n",
      "Cc1nc2sccn2c(=O)c1CCN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1\n",
      "COc1ccnc(NC2CCN(C(=O)c3ccc(C#N)cc3)CC2)c1\n",
      "CN(C)CCCSc1ccccc1NC(=O)/C=C/c1ccccc1\n",
      "CC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@@](O)(C(=O)OC)C1)[C@@H]32\n",
      "CC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)c1ccccc1OCCOc1ccccc1N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(C3=CCCCC3)cnc2O[C@H]1CN(C)Cc1ccccc1F\n",
      "COc1cc(CN2C[C@H]3N[C@@H](C2)[C@@H]3c2ccc(-c3ccncc3)cc2)cc(OC)c1\n",
      "COc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3ccc(C(=O)O)c(O)c3)C2=O)cc1OC\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O[C@@H]1CN(C)Cc1ccc(Cl)c(Cl)c1\n",
      "CC(C)(C)c1ccc(C(=O)Nc2cc(Cl)c(F)cc2C(=O)O)cc1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(N(C)C)ccc2O[C@H](C)CCCCO[C@@H]1CN(C)Cc1ccc2c(c1)OCO2\n",
      "O=C(c1ccc(F)cc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CCC4CCCC4)cc3)[C@@H]2C1\n",
      "CC(C)(C)NC[C@H](O)COc1cccc2[nH]c(C#N)cc12\n",
      "C/C=C/c1ccc([C@H]2[C@@H](CO)N[C@@H]2CNC(=O)CC2CC2)cc1\n",
      "N=C(N)NC(=O)c1nc(Cl)c(N2CCCCCC2)nc1N\n",
      "Oc1ccc(Cl)cc1\n",
      "OC(c1ccccc1)(c1ccccc1)c1cnc2ccccn12\n",
      "CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(CCC(F)(F)F)C[C@@H]34)cc2)c1\n",
      "C[C@H]1CCCCO[C@@H](CN(C)Cc2ccccc2)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2O1\n",
      "CC1(C)S[C@@H]2[C@H](/N=C/N3CCCCCC3)C(=O)N2[C@H]1C(=O)O\n",
      "O=S(=O)(c1cccc(Cl)c1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1\n",
      "COc1ccc2c3c([nH]c2c1)[C@H](CO)NCC31CN(S(=O)(=O)c2cccs2)C1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)C3CC3)ccc2O[C@@H]1CN(C)C\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)CCN3CCOCC3)cc2C1=O\n",
      "CCCNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Cc4cccs4)cc3C(=O)N2C)O1\n",
      "NC(=O)CNCCC(c1ccccc1)c1ccccc1\n",
      "CN1CC(=O)N=C1NC(=O)Nc1cccc(Cl)c1\n",
      "C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C\n",
      "O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1\n",
      "CNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2cccc(OC)c2)O1\n",
      "COC(=O)CCCCCCC(=O)N/N=C/c1ccc(S(=O)(=O)O)o1\n",
      "Sc1nnc2c3ccccc3n(Cc3ccccc3)c2n1\n",
      "Cc1ccc(-c2cc3nc(-c4ccco4)cc(N4CCN(Cc5ccoc5)CC4)n3n2)cc1\n",
      "CCCC(CCC)C(=O)O\n",
      "COc1ccc(Cl)cc1Nc1nc(NCCO)nc(N2CCCCC2)n1\n",
      "NCCNCCNCCNCCN\n",
      "C[C@H]1CCCCO[C@@H](CN(C)CC2CCCCC2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2O1\n",
      "C[C@@H]1CCCCO[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2O1\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "OC[C@H]1[C@H](c2ccc(/C=C/c3ccccc3)cc2)[C@H]2CN(Cc3cccnc3)CCCCN21\n",
      "COc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC\n",
      "COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)Nc1ccccc1F)CC31CN(C(=O)c2ccccc2F)C1\n",
      "C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)Cc1ccccc1F\n",
      "C[C@H]1CCCCO[C@H](CN(C)C(=O)NC2CCCCC2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc4c(c3)OCO4)ccc2O1\n",
      "Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1\n",
      "O=C(O)CCNC(=O)c1ccc(N=Nc2ccc(O)c(C(=O)O)c2)cc1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O[C@H]1CN(C)C(=O)Nc1ccc(F)cc1\n",
      "C[C@H]1CCCCO[C@H](CN(C)S(=O)(=O)c2ccccc2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)CCCN(C)C)ccc2O1\n",
      "CNc1ccc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1C(=O)O\n",
      "CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C\n",
      "CC(C)(c1ccc(O)cc1)c1ccc(O)cc1\n",
      "C[C@H]1CCCCO[C@@H](CN(C)C(=O)Nc2ccccc2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2O1\n",
      "O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccc(C(F)(F)F)cc2)O1)NCCc1ccccc1\n",
      "CC(=O)Nc1ccc(O)cc1\n",
      "COc1ccc2oc(-c3ccccc3OC)cc(=O)c2c1\n",
      "CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(=O)O)c(Cl)c2)c2ncn(C(C)C)c2n1\n",
      "Cc1nc2ccc(NC(=O)Nc3ccnc4cccnc34)cc2o1\n",
      "O=C(N[C@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@H]1CO)c1ccc2c(c1)OCO2\n",
      "COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)O3)cc1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(C#CCN(C)C)cnc2O[C@H]1CN(C)Cc1cccc(F)c1\n",
      "COc1cccc(NC(=O)N(C)C[C@@H]2OCc3ccccc3-c3ccccc3C(=O)N([C@@H](C)CO)C[C@H]2C)c1\n",
      "COc1ccc(-c2csc(NC(=O)CSc3nnc4c(C)cc5cc6c(cc5n34)OCCO6)n2)cc1\n",
      "O=C(OCC#CCSc1nnc(-c2cccs2)o1)c1ccc(F)cc1\n",
      "O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/C=C/c1ccccc1\n",
      "O=C(O)c1cc(-c2ccccc2)[nH]n1\n",
      "CO[C@H]1CN(C)C(=O)c2cc(NC(=O)NC3CCCCC3)ccc2OC[C@@H](C)N(CCc2ccccc2)C[C@@H]1C\n",
      "CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)NC(C)=O\n",
      "Cc1cccc(CCN2CCC(C(=O)c3ccc(NS(C)(=O)=O)cc3)CC2)n1\n",
      "Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl\n",
      "CNC[C@H]1Oc2cc(C#CCN(C)C)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C\n",
      "Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)COc1ccccc1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)C3CCCCC3)c2O[C@@H]1CN(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1\n",
      "Clc1ccccc1-c1ccc2ncnc(NCc3cccs3)c2c1\n",
      "Cc1c(P(=S)(c2ccccc2)c2ccccc2)n2ccccc2[n+]1CCc1ccccc1\n",
      "CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1\n",
      "CC(C)NC(=O)N(C)C[C@@H]1OCCCC[C@@H](C)Oc2ccc(NC(=O)Cc3ccccc3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C\n",
      "NCCCCCCNS(=O)(=O)c1cccc2ccccc12\n",
      "Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)S(=O)(=O)c1ccc(Cl)cc1)OCCCC[C@@H](C)O2\n",
      "CN1C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@H]2O[C@@H](CC(=O)NCC3CCCCC3)CC[C@H]21\n",
      "COc1cccc(S(=O)(=O)N(C)C[C@H]2OCc3cnnn3CCCC(=O)N([C@H](C)CO)C[C@@H]2C)c1\n",
      "Cc1cccc2c1[nH]c1nc(N/N=C/c3ccc(O)c(O)c3)nnc12\n",
      "CCCN(C)C[C@H]1OCCCC[C@H](C)Oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2C(=O)N([C@@H](C)CO)C[C@H]1C\n",
      "O=C1NC(=O)/C(=C\\c2ccc3nccnc3c2)S1\n",
      "CN(C)CC#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(CC4CC4)C[C@@H]23)cc1\n",
      "CCOC(=O)C1(c2ccccc2)CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1\n",
      "COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1cc(F)ccc1F)CC31CCN(C(=O)C2CCC2)CC1\n",
      "CS(=O)(=O)N(CC(=O)O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1\n",
      "C=CCNC(=O)[C@@H]1[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@H](c2ccccc2OCCO)[C@@]12C(=O)Nc1ccc(C#CCC(C(=O)OC)C(=O)OC)cc12\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc(NS(C)(=O)=O)cc2C1=O\n",
      "COc1ccc(C=C(C#N)C#N)cc1\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)NC1CCCCC1)OCCCC[C@H](C)O2\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NS(=O)(=O)c3cccs3)c2O[C@H]1CN(C)Cc1ccc(Cl)c(Cl)c1\n",
      "COc1ccc(CC2CCN(c3ncnc4sccc34)CC2)cc1\n",
      "Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)C1CCCCC1)OCCCC[C@H](C)O2\n",
      "O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12\n",
      "CNCCCC1c2ccccc2C=Cc2ccccc21\n",
      "COc1ccc(-c2ccc([C@H]3[C@H]4CN(Cc5ccccc5)CC(=O)N4[C@H]3CO)cc2)cc1\n",
      "CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(C(=O)NC2CCCCC2)C[C@H]1C\n",
      "CC(=O)O[C@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C\n",
      "C/C=C/c1ccc([C@@H]2[C@H](CO)N3C(=O)CN(Cc4ccccc4)C[C@@H]23)cc1\n",
      "Cc1ccc(-c2nnc(NC(=O)COc3ccc(F)cc3Cl)o2)cc1C\n",
      "O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2CC2CCCCC2)O1)NCc1ccc(F)cc1\n",
      "C/C=C1/C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2O[C@@H]1CN(C)C(=O)NC1CCCCC1\n",
      "Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2O[C@H]1CN(C)Cc1ccc2c(c1)OCO2\n",
      "O=C(O)C1=CCCN(CCON=C(c2ccccc2)c2ccccc2)C1\n",
      "O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1\n",
      "Cc1cc(Sc2nnc(C)s2)c2ccccc2n1\n",
      "CN(C)CCC=C1c2ccccc2C=Cc2ccccc21\n",
      "CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)NCCO\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CCCCC2)Oc2ncc(-c3ccc(C#N)cc3)cc2C1=O\n",
      "C[C@H]1CCCCO[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc4c(c3)OCO4)ccc2O1\n",
      "O=C(O)c1ccc(NS(=O)(=O)c2cc3c4c(cccc4c2)C(=O)NC3=O)cc1\n",
      "Cc1ccccc1C(=O)c1ccc(Nc2ccc(Br)cc2N)cc1Cl\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(=O)NC1CCCCC1)OCCCC[C@H](C)O2\n",
      "Cn1nnnc1Sc1ncnc2scc(-c3ccc4c(c3)OCO4)c12\n",
      "N#Cc1ccc(C(=O)Oc2coc(CSc3ncccn3)cc2=O)cc1\n",
      "C[C@H]1CCCCO[C@H](CN(C)CC2CCCCC2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3cn(C)cn3)ccc2O1\n",
      "C[C@@H]1CCCCO[C@@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3cccc4ccccc34)ccc2O1\n",
      "COc1ccc(-c2csc3ncnc(Sc4nnnn4C)c23)cc1\n",
      "Cn1nnnc1Sc1ncnc2scc(-c3cccc4c3sc3ccccc34)c12\n",
      "Nc1ncnc2[nH]nc(Nc3ccc(F)cc3)c12\n",
      "O=C(O)c1ccc(-c2ccc(/C=c3\\sc4nc5ccccc5n4c3=O)o2)cc1\n",
      "C[C@H]1CCCCO[C@H](CN(C)C(=O)Nc2ccccc2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2O1\n",
      "COc1ccccc1C(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1ccccc1\n",
      "CCCOc1ccc(-c2nc(Oc3ccc(OC)cc3)c3ccccc3n2)cc1\n",
      "CC1(C)C2=[N+]([O-])c3cc(-c4ccccc4)ccc3C2=C[C@@]23NC(=O)[C@]4(CCCN4C2=O)C[C@@H]13\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O[C@H](C)CCCCO[C@@H]1CN(C)Cc1ccccc1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(C#CCN(C)C)cnc2O[C@@H]1CN(C)Cc1ccc(F)cc1\n",
      "O=C(c1cccc(F)c1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C4=CCCCC4)cc3)[C@@H]2C1\n",
      "CCN(CC)CCc1nc(-c2ccccc2)no1\n",
      "O=C1CNC[C@@H]2[C@H](c3ccc(C#Cc4cccnc4)cc3)[C@H](CO)N12\n",
      "CO[C@H](CN(C)Cc1cc(F)ccc1F)[C@H](C)CN(C(=O)Nc1ccc(F)cc1)[C@@H](C)CO\n",
      "CCOc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1\n",
      "CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1\n",
      "O=S(=O)(Nc1nc2ccccc2nc1NCCC1=CCCCC1)c1ccccc1\n",
      "Retry on Cc1cccc(S(=O)(=O)N2C[C@@H](O)COC[C@@H]3O[C@H](CC(=O)Nc4ccc(-c5ccccc5)cc4)CC[C@H]32)c1\n",
      "Cc1cccc(S(=O)(=O)N2C[C@@H](O)COC[C@@H]3O[C@H](CC(=O)Nc4ccc(-c5ccccc5)cc4)CC[C@H]32)c1\n",
      "COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CN(Cc2ccc(Cl)cc2)C1\n",
      "CC(=O)N(OCc1ccccc1)[C@@H]1c2cc(C#N)ccc2OC(C)(C)[C@H]1O\n",
      "O=C(OCC#CCSc1nnc(-c2cccc3ccccc23)o1)c1cccc(C(F)(F)F)c1\n",
      "COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(C)cc2)O3)cc1\n",
      "CCC1=C(C)CN(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCC(C)CC3)cc2)C1=O\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)Cc1ccncc1)OCCCC[C@@H](C)O2\n",
      "COc1cccc(CNC(=O)C[C@@H]2CC[C@@H]3[C@H](COc4ccc(NC(=O)c5cccs5)cc4C(=O)N3C)O2)c1\n",
      "CCN1CCN(c2ccc(Nc3cc(N(C)C(=O)Nc4c(Cl)c(OC)cc(OC)c4Cl)ncn3)cc2)CC1\n",
      "C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@@H]1CN(C)C(=O)CC1CC1\n",
      "COc1ccccc1NC(=O)N[C@H]1CC[C@H](CC(=O)NCc2ccc(Cl)c(Cl)c2)O[C@@H]1CO\n",
      "O=C1c2ccccc2C(Cc2ccncc2)(Cc2ccncc2)c2ccccc21\n",
      "CN(C)c1ccc(/C=C2\\CSC(=S)NC2=O)cc1\n",
      "Oc1ccc(CNc2ccccc2F)c2cccnc12\n",
      "O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1F)Nc1ccc2c(c1)CCC2\n",
      "C[C@@H](O)[C@@H]1C(=O)N2C(C(=O)O)=C(SCCNC=N)C[C@H]12\n",
      "COc1nccc(-c2ccc3nccc(-c4ccnnc4)c3c2)c1NS(=O)(=O)c1ccc(F)cc1F\n",
      "COc1ccc(S(=O)(=O)N2CCC3(CC2)CN(Cc2ccncc2)[C@@H](CO)c2[nH]c4cc(OC)ccc4c23)cc1\n",
      "c1ccc2c(c1)Nc1nc3ccccc3nc1N2\n",
      "C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)C(=O)C1CCCCC1\n",
      "CC(C)(C)c1ccc(C=CC(=O)Nc2ccc3c(c2)OCCO3)cc1\n",
      "Cc1ccc(Sc2ccc(NC(=O)c3ccc(F)cc3)cc2C#N)cc1\n",
      "CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC\n",
      "C=CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccc(C)cc1\n",
      "CCNC(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1\n",
      "O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12\n",
      "C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O\n",
      "CCc1cnc(N2[C@H](CO)[C@@H](c3ccc(C4=CCCCC4)cc3)[C@@H]2C#N)s1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O[C@@H]1CN(C)Cc1ccc(-c2ccccc2)cc1\n",
      "OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O\n",
      "CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C=O)Cc1ccccc1\n",
      "COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)CC2CC2)OCCCC[C@H](C)O3)cc1\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)Nc3ccccc3)c2O[C@@H]1CN(C)Cc1ccc(Cl)c(Cl)c1\n",
      "NC(=O)C1CCN(c2ccnc(Cl)n2)CC1\n",
      "CC(C)NC(=O)N(C)C[C@H]1OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2C(=O)N([C@H](C)CO)C[C@@H]1C\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)NC2CCCCC2)OCCCC[C@@H](C)Oc2ccc(NC(=O)CCC(F)(F)F)cc2C1=O\n",
      "CNc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(NC)n1\n",
      "Cc1nn(C)c2nc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)cc(C(C)C)c12\n",
      "CCCNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@H]2[C@@H](CO)O1\n",
      "COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1\n",
      "CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1\n",
      "C[C@@H](NC(=O)/C(C#N)=C/c1ccc(O)c(O)c1)c1ccccc1\n",
      "O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2cccnc2)O1)NCc1ccc(-c2ccccc2)cc1\n",
      "CC(=O)Nc1nnc(S(N)(=O)=O)s1\n",
      "CCC[C@H]1CC2=C(C[C@@H](CC)CC3=C1C(=O)OC3=O)C(=O)OC2=O\n",
      "COc1ccc(NC(=O)N2CC(=O)N3[C@H](CO)[C@@H](c4ccc(C5=CCCC5)cc4)[C@@H]3C2)cc1\n",
      "O=S(=O)(c1ccccc1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(C#CC3CCCC3)cc1)[C@@H]2CO\n",
      "C[C@]12COC(=O)C[C@@H]1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(C)O\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(C3=CCCCC3)cnc2O[C@@H]1CN(C)C(=O)c1cccc(F)c1\n",
      "CN1C(=O)c2cc(NC(=O)Cc3cccs3)ccc2OC[C@@H]2O[C@H](CC(=O)NCCCN3CCOCC3)CC[C@H]21\n",
      "C=CC(=O)Nc1ccc(CN(C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)c2cc(Nc3ccc(N4CCN(C)CC4)cc3)ncn2)cc1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O[C@H]1CN(C)CC1CC1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2O[C@@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1\n",
      "COc1ccc(-c2ccccc2)cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1O\n",
      "C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@@H]1CN(C)C(=O)C1CCC1\n",
      "CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]2N1CC1CC1\n",
      "COc1ccc(-c2cc3nc(C)cc(N4CCN(C(=O)c5ccoc5)CC4)n3n2)cc1\n",
      "COc1ccc(NC(=O)N(C)C[C@H]2OCCCC[C@H](C)Oc3ccc(NC(=O)C4CCCCC4)cc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1\n",
      "C[C@H]1CCCCO[C@@H](CN(C)C(=O)CCCN(C)C)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O1\n",
      "C/C=C/c1ccc([C@@H]2[C@@H](CO)N(c3nc(CC)cs3)[C@@H]2CNC(C)C)cc1\n",
      "CC1(C)OC(=O)NC1=O\n",
      "COc1ccccc1NC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cccc(C#N)c4)cc3)[C@H]2C1\n",
      "C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO\n",
      "O=C(CSc1nc2ccc(/N=C/c3cc(Br)ccc3O)cc2s1)Nc1ccccc1\n",
      "CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1\n",
      "C[C@H](C(=O)O)c1cccc(C(=O)c2ccccc2)c1\n",
      "O=C(C[C@@H]1C[C@H]2c3cc(NS(=O)(=O)c4ccccc4)ccc3O[C@H]2[C@@H](CO)O1)N1CCOCC1\n",
      "N#Cc1ccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CNC[C@H]34)cc2)cc1\n",
      "COc1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc2)cc1\n",
      "OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1\n",
      "c1ccc(CNc2ncnc3ccccc23)cc1\n",
      "O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)c3ccncc3)c2O[C@@H]1CN(C)Cc1ccccc1\n",
      "CN(CC=Cc1ccccc1)Cc1cccc2ccccc12\n",
      "O=C(C1CCC1)N1CC[C@@H]2[C@H](CO)Nc3ccc(Br)cc3[C@@H]21\n",
      "C[C@H]1CCCCO[C@H](CN(C)CC2CC2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2O1\n",
      "CN1C(=O)c2cc(NC(=O)NC3CCCC3)ccc2OC[C@H]2O[C@H](CC(=O)NCC3CC3)CC[C@@H]21\n",
      "C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CCN(C)C)cc2O[C@H]1CN(C)Cc1ccccc1F\n",
      "N=C(N)NCc1cccc(I)c1\n",
      "CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(=O)NC1CCCCC1)OCCCC[C@H](C)O2\n",
      "NCCc1ccc(O)c(O)c1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2cc(F)ccc2F)Oc2ncc(C#CCN(C)C)cc2C1=O\n",
      "COc1ccc2[nH]c3c(c2c1)CCNC3=O\n",
      "O=C1C(c2ccccn2)=[N+]([O-])c2ccccc21\n",
      "OC(c1ccccc1)(c1ccccc1)C1CCN(CCCOc2ccc(Cl)cc2)CC1\n",
      "Cn1c(=O)c2c(ncn2CC(=O)O)n(C)c1=O\n",
      "O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1\n",
      "CCCC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc1ccccc1F)O2\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CCCCC2)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3cn(C)cn3)cc2C1=O\n",
      "C[C@@H](N)[C@H]1CC[C@H](C(=O)Nc2ccncc2)CC1\n",
      "CC#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C\n",
      "C=CC[C@@H]1/C=C(/C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC\n",
      "CCCNC(=O)NC[C@@H]1[C@@H](c2ccc(C3=CCCCC3)cc2)[C@@H](CO)N1C(C)=O\n",
      "CC1(C)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O\n",
      "Cc1ccc(Cc2nn3c(C(=O)c4cccs4)nn(-c4ccc(Cl)cc4)c3nc2=O)cc1\n",
      "C/C=C/c1ccc2c(c1)O[C@@H](CN(C)S(=O)(=O)c1ccccc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O\n",
      "Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12\n",
      "COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1\n",
      "COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)C1CC1)CC31CCN(Cc2cccc(F)c2)CC1\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc1ccc(-c3ccccc3)cc1)O2\n",
      "Cc1cccc(N(C)C(=S)Oc2ccc3ccccc3c2)c1\n",
      "C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O\n",
      "COc1cc(CN2C[C@H]3N[C@@H](C2)[C@H]3c2ccc(-c3ccc(C#N)cc3)cc2)cc(OC)c1\n",
      "CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)O)CC1\n",
      "C[C@H]1CCCCO[C@H](CN(C)Cc2ccc3c(c2)OCO3)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2O1\n",
      "CNC[C@@H]1Oc2cc(C#CCN(C)C)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C\n",
      "Cn1nnnc1Sc1ncnc2scc(-c3ccc([N+](=O)[O-])cc3)c12\n",
      "CCC(=O)N1[C@H](CO)[C@@H](c2ccccc2)[C@@H]1CN(C)C(=O)c1ccccc1F\n",
      "CCC(=O)N(C)C[C@@H]1Oc2cc(C3=CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C\n",
      "COc1ccc(C#Cc2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)C2CCC2)[C@@H](CO)N3)cc1\n",
      "CCc1cnc(N2[C@H](C#N)[C@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2CO)s1\n",
      "CC(=O)N1CCN(c2ccc(NCc3ccco3)cc2)CC1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)Cc3cn(C)c4ccccc34)ccc2O[C@@H]1CN(C)Cc1ccc(Cl)c(Cl)c1\n",
      "CC(C)NC(=O)N(C)C[C@H]1OCCCC[C@H](C)Oc2ccc(NC(=O)C3CCCCC3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C\n",
      "c1ccc(-c2ccc(CNc3nc(-c4ccccn4)nnc3-c3ccccc3)cc2)cc1\n",
      "O=C1CC[C@@H](C(=O)N2CSC[C@H]2C(=O)O)N1\n",
      "NC(=O)c1ccccc1-c1noc(-c2ccccc2F)n1\n",
      "COC(=O)c1cc(Br)ccc1NC(=O)COc1ccc(C(C)(C)C)cc1\n",
      "COC(=O)[C@H]1[C@@H]2C[C@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC\n",
      "CCOC(=O)[C@@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O\n",
      "COc1ccc(S(=O)(=O)N(C)C[C@@H]2Oc3c(NC(=O)Nc4cccc5ccccc45)cccc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1\n",
      "Cc1ccc(S[C@]2(C(=O)NCCN3CCOCC3)CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c2ccc(CO)cc2I)cc1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2O[C@H](C)CCCCO[C@@H]1CN(C)Cc1ccc(Cl)c(Cl)c1\n",
      "C[C@@H]1CCCCO[C@H](CN(C)C(=O)NC2CCCCC2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)CCC(F)(F)F)ccc2O1\n",
      "Cc1ccc2nc3sc(C(=O)N4CCN(C)CC4)cc3cc2c1\n",
      "Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](CCn3cc(-c4cccnc4)nn3)O[C@H]2CO)cc1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(C#Cc3ccncc3)cnc2O[C@@H]1CN(C)CC1CCCC1\n",
      "O=C(C[C@@H]1C=C[C@H](NC(=O)Nc2cc(F)ccc2F)[C@@H](CO)O1)NCc1ccc2c(c1)OCO2\n",
      "C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#CCN(C)C)cc2O[C@@H]1CN(C)Cc1ccc2c(c1)OCO2\n",
      "O=C1C(=O)N(Cc2ccc(-c3ccc(F)nc3)cc2)c2ccc(OC(F)(F)F)cc21\n",
      "Cn1c(=O)c2nc(CCCC(=O)O)[nH]c2n(Cc2ccccc2)c1=S\n",
      "COc1ccc(NC(=O)N(C)C[C@@H]2Oc3cc(C#CCN(C)C)ccc3S(=O)(=O)N([C@H](C)CO)C[C@@H]2C)cc1\n",
      "CCCN(C)C[C@H]1OCCCC[C@H](C)Oc2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2C(=O)N([C@@H](C)CO)C[C@H]1C\n",
      "COCC(=O)N1CC2(CCN(Cc3ccccc3)CC2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO\n",
      "OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO\n",
      "COc1ccc(S(=O)(=O)N(C)C[C@@H]2Oc3c(NC(=O)Nc4ccccc4)cccc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1\n",
      "CCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccncc2)O1\n",
      "CCS(=O)(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4cccc(C#N)c4)cc3)[C@@H]2C1\n",
      "CC(C)C[C@@H]1NC(=O)[C@H]2C[C@@H](C(=O)NCCCCCNC(=O)CS)[C@@H](c3cccc(OCCO)c3)N2C1=O\n",
      "COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CCN(Cc2ccncc2)CC1\n",
      "Oc1cc2c(cc1O)CN(C(=S)NCCc1ccc(Cl)cc1)CCC2\n",
      "Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1\n",
      "Cc1c(CCCC(=O)O)sc(N)c1C(=O)c1cccc(C(F)(F)F)c1\n",
      "CN1C(=O)c2cc(NC(=O)Cc3cccs3)ccc2OC[C@@H]2O[C@H](CC(=O)NCCCN3CCOCC3)CC[C@@H]21\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)CCC(F)(F)F)OCCCC[C@@H](C)Oc2ccc(NC(=O)CCC(F)(F)F)cc2C1=O\n",
      "Cc1ccc(Nc2ccc(-c3ccncc3)s2)c(Br)c1\n",
      "NCCNC(=O)c1ccc(Cl)cc1\n",
      "N#C[C@H]1[C@@H](c2ccc(C3=CCCCC3)cc2)[C@@H](CO)N1C(=O)c1cccc(F)c1\n",
      "COc1ccccc1CN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)C(C)(C)N2C1=O\n",
      "Cc1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1S(=O)(=O)Nc1ccccc1\n",
      "C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O[C@@H]1CN(C)CC1CC1\n",
      "CN(Cc1ccco1)c1ncnc2ccc(-c3ccc4c(c3)OCO4)cc12\n",
      "CC(C)NC[C@H](O)COc1ccc(CC(N)=O)cc1\n",
      "C[C@@H]1C/C=C/CCNC(=O)[C@H](c2ccccc2)COC1=O\n",
      "COc1nc(-c2ccc3c(c2)OCO3)n(-c2ccc(NC(=O)CSc3ccccc3)cc2)n1\n",
      "CC(=O)OCC(CCn1cnc2cnc(N)nc21)COC(C)=O\n",
      "CNC[C@@H]1Oc2cc(C#C[C@@H](C)O)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C\n",
      "CCCNC(=O)NC[C@@H]1[C@@H](c2ccc(C3=CCCCC3)cc2)[C@H](CO)N1C(C)=O\n",
      "NCCCCNS(=O)(=O)c1ccc2c(Cl)cccc2c1\n",
      "CCCCNc1ccc(C(=O)OCCN(C)C)cc1\n",
      "N=C(N)NS(=O)(=O)c1ccc(N)cc1\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "CN1C(=O)c2ccc(NC(=O)c3cccc4ccccc34)cc2C1=O\n",
      "CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NCc3ccncc3)nc(-c3cccc(-c4ccc(C#N)cc4)c3)c2[C@H]1CCO\n",
      "CC(=O)N(O)[C@@H]1c2cc(C#N)ccc2OC(C)(C)[C@H]1O\n",
      "CC(=O)OCC(=O)[C@@]12OC3(CCCC3)O[C@@H]1C[C@H]1[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C\n",
      "COc1ccc(CN(C)C[C@@H]2OCCCC[C@H](C)Oc3ccc(NS(=O)(=O)c4ccccc4)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1\n",
      "CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)[C@H](C(=O)O)C(C)C\n",
      "CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(CCC(F)(F)F)C[C@H]34)cc2)c1\n",
      "CCc1ccc(-n2ncc(Cl)c(Oc3ccc(OC)cc3)c2=O)cc1\n",
      "O=C(Nc1nc2c(Br)cccc2s1)c1ccc2c(c1)OCCO2\n",
      "COC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4cc(C)cc(C)c4)cc3C(=O)N2C)O1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)NC3CCCCC3)c2O[C@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1\n",
      "CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1\n",
      "C[C@@H]1CCCCO[C@@H](CN(C)Cc2ccc3c(c2)OCO3)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(N(C)C)ccc2O1\n",
      "Cn1c2ccsc2c2ncn(Cc3ccccc3F)c(=O)c21\n",
      "Cc1ccccc1-n1sc2cc(F)ccc2c1=O\n",
      "COCCNC(=O)COc1ccc(OCCNC[C@@H](O)COc2ccccc2)cc1\n",
      "COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CN(Cc2ccccc2F)C1\n",
      "N#CCCn1nc(Cc2cccc3ccccc23)c(C#N)c1N\n",
      "COc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(Cc5ccccc5)C[C@H]34)cc2)cc1\n",
      "CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1\n",
      "OCCNc1nc(Nc2ccccc2O)nc(N2CCCC2)n1\n",
      "O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccc(Oc3ccccc3)cc2)O1)N1CCc2ccccc2C1\n",
      "O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccc(Cl)cc2)O1)NCc1cccc(F)c1\n",
      "C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2O[C@@H]1CN(C)C\n",
      "C[C@H]1CCCCO[C@@H](CN(C)S(=O)(=O)c2ccc(F)cc2)[C@H](C)CN([C@@H](C)CN(C)C)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2O1\n",
      "C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12\n",
      "CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1\n",
      "Cc1ccc(C[N+](C)(C)C)o1\n",
      "Cc1cccc(-n2cnc3cc(C(=O)N4CCCCC4)ccc32)c1\n",
      "O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCC(C(O)(c2ccc3c(c2)OCO3)c2ccc3c(c2)OCO3)CC1\n",
      "O=C([C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2Cc1cccc(Cl)c1)N1CCOCC1\n",
      "c1ccc(N2CCN(CCCOc3ccc4c(c3)OCO4)CC2)cc1\n",
      "N#Cc1ccccc1S(=O)(=O)N1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1\n",
      "O=C(C1CCCC1)N1CC[C@@H]2[C@H](CO)Nc3ccc(C4=CCCCC4)cc3[C@@H]21\n",
      "CCN(CC)C(=O)N1CCN(C)CC1\n",
      "C1CN=C2NCCCN2C1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cccc(NS(=O)(=O)c3cccs3)c2O[C@@H]1CN(C)Cc1ccc(Cl)c(Cl)c1\n",
      "O=C(Cc1cccnc1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(/C=C/c3ccccc3)cc1)[C@@H]2CO\n",
      "COc1cc(-c2cc[n+](C)cc2)ccc1O\n",
      "C=CCNC1=C(Cl)C(=O)c2ccccc2C1=O\n",
      "CCCN(C)C[C@H]1Oc2ncc(-c3cccnc3)cc2C(=O)N([C@H](C)CO)C[C@H]1C\n",
      "CNC[C@H]1Oc2ncc(-c3ccc(OC)cc3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)Cc1ccc2c(c1)OCCO2\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)S(=O)(=O)c2ccccc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)CCCN(C)C)cc2C1=O\n",
      "CN1CCN(C2CCN(Cc3ccc(O)c4ncccc34)CC2)CC1\n",
      "C[C@@H]1CC[C@@H]2[C@@H](C)C(=O)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4\n",
      "C[C@H]1CCCCO[C@H](CN(C)CC2CCCCC2)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O1\n",
      "COc1ccc([Si](C)(C)[C@@H]2[C@@H](CCn3cc(CCO)nn3)O[C@]3(C(=O)N(Cc4cccc(N5CCOC5=O)c4)c4ccccc43)[C@H]2C)cc1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)Cc1ccc2c(c1)OCCO2\n",
      "COCC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC(C)C)cc3)[C@@H]2C1\n",
      "O=C(Cc1cccnc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C4=CCCCC4)cc3)[C@@H]2C1\n",
      "O=C(CCCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1\n",
      "CCCC[C@@H]1NC(=O)[C@](C)(NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CCNC(C)=O)C(C)C)[C@@H](C)CC)CCC/C=C\\CCC[C@](C)(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC1=O\n",
      "C/C=C1/[C@H]2C=C(C)C[C@]1(N)c1ccc(O)nc1C2\n",
      "CCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)CCS3)CC1\n",
      "C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@@H]1CN(C)CC1CC1\n",
      "COc1cc(C=Cc2ccc(OC)cc2OC)cc(OC)c1\n",
      "CCOc1ccc(CCNC(=O)c2ccc(Oc3ccccc3)cc2)cc1OCC\n",
      "CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(=O)O\n",
      "C[C@H]1CCCCO[C@H](CN(C)C(=O)CCC(F)(F)F)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2O1\n",
      "NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)N[C@@H]1CCCNC1\n",
      "N#Cc1c2ccc([N+](=O)[O-])cc2n(O)[n+]1-c1ccccc1\n",
      "Cc1cc(=O)c2c(O)c(C)c(O)cc2o1\n",
      "CCOC(=O)O[C@]1(C(=O)COC(=O)CC)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C\n",
      "CCCCN1CCC(CCC(=O)c2cc(Cl)c(N)cc2OC)CC1\n",
      "CC(C)(C)CC(C)(C)c1ccc(OCOCCOCCO)c(Cc2cc(C(C)(C)CC(C)(C)C)cc(Cc3cc(C(C)(C)CC(C)(C)C)ccc3OCOCCOCCO)c2OCOCCOCCO)c1\n",
      "O=C(COC(=O)CNC(=O)c1ccccc1Cl)Nc1ccccc1Cl\n",
      "Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)CCC(F)(F)F)OCCCC[C@H](C)O3)cc1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)c3cnccn3)c2O[C@H]1CN(C)CC1CCCCC1\n",
      "Cc1ccc(S(=O)(=O)N(C)C[C@@H]2Oc3cc(C4=CCCC4)ccc3S(=O)(=O)N([C@@H](C)CO)C[C@@H]2C)cc1\n",
      "c1ccc(CC2=NCCN2)cc1\n",
      "C[C@@H](c1ncncc1F)[C@@](O)(Cn1cncn1)c1ccc(F)cc1F\n",
      "C[C@@H](NC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@@H]2[C@@H](CO)O1)c1ccccc1\n",
      "CN1C(=O)c2cc(NC(=O)Cc3cccs3)ccc2OC[C@@H]2O[C@H](CC(=O)N[C@H]3CCN(Cc4ccccc4)C3)CC[C@@H]21\n",
      "COc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3c(NC(=O)NC4CCCCC4)cccc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1\n",
      "O=C1CNC[C@H]2[C@@H](c3ccc(C4=CCCCC4)cc3)[C@@H](CO)N12\n",
      "CC(C)[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)Nc3ccccc3)ccc2O[C@@H]1CN(C)CC1CC1\n",
      "O=C(Nc1nc[nH]n1)c1cccc(F)c1\n",
      "CNC[C@H]1OCCCC[C@H](C)Oc2ccc(NC(=O)NC(C)C)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C\n",
      "CCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c1ccccc1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)Nc3ccccc3)c2O[C@@H]1CN(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1\n",
      "CCCNC(=O)N1[C@H](CO)[C@@H](c2ccc(C3=CCCCC3)cc2)[C@@H]1C#N\n",
      "Cc1cc(C)c(S(=O)(=O)Nc2ccccc2C(F)(F)F)c(C)c1\n",
      "CCN(C[C@@H]1N[C@@H](CO)[C@@H]1c1ccc(C2=CCCC2)cc1)C(=O)c1cccnc1\n",
      "N#CC(=C(N)Sc1ccccc1N)C(C#N)=C(N)Sc1ccccc1N\n",
      "Cc1cc(=O)oc2cc(O)ccc12\n",
      "ClC=C(Cl)Cl\n",
      "CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)[nH]c(N)nc21\n",
      "CN(C)CCCc1cc(C(=O)Nc2ccc(-c3ccncc3)cc2)ccc1O\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O[C@@H]1CN(C)S(=O)(=O)c1ccccc1\n",
      "COc1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1\n",
      "C[C@@H]1CCCCO[C@@H](CN(C)C(=O)Nc2ccccc2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2O1\n",
      "COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@@H]3COC(=O)[C@H]32)OCO4)cc(OC)c1O\n",
      "C[C@H]1CCCCO[C@@H](CN(C)S(=O)(=O)c2ccccc2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)CCCN(C)C)ccc2O1\n",
      "CCCCOc1ccc(OCCCN2CCOCC2)cc1\n",
      "Cc1cc(C(C)(C)CC(C)(C)C)ccc1OCCOCC[N+](C)(C)Cc1ccccc1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O\n",
      "COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(CC1CC1)CC31CCN(C(=O)Nc2ccc(F)cc2F)CC1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2O[C@@H]1CN(C)Cc1ccc(C(F)(F)F)cc1\n",
      "CCOC(=O)c1cccc(-n2cccc2/C=C2\\NC(=O)N(CC(=O)O)C2=O)c1\n",
      "C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)CCC(=O)O\n",
      "C[C@H]1CCCCO[C@@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(F)cc3)ccc2O1\n",
      "CC(=O)Oc1ccccc1C(=O)Oc1ccccc1C(=O)O\n",
      "CN1C[C@@H](O)COC[C@@H]2O[C@H](CC(=O)NC3CCC3)CC[C@H]21\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2O[C@H](C)CCCCO[C@@H]1CN(C)C(=O)CCC(F)(F)F\n",
      "C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@@H]1CN(C)C(=O)c1ccc(F)cc1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)CC2CCCCC2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C1=O\n",
      "c1nc(NCc2ccc3c(c2)OCO3)c2cc(-c3ccc4c(c3)OCCO4)ccc2n1\n",
      "CN/C(=C/[N+](=O)[O-])NCCSCc1csc(CN(C)C)n1\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)Cc1ccccc1)OCCCC[C@H](C)O2\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2cccc(F)c2)OCc2ccccc2-c2c(n(C)c3ccccc23)C1=O\n",
      "O=C(Nc1ccncc1)Nc1c(Cl)cc(Cl)cc1Cl\n",
      "O=C(N1CCC(Cc2ccccc2)CC1)n1cc(C(O)(c2ccccc2)c2ccccc2)nn1\n",
      "C[C@@H]1CCCCO[C@@H](CN(C)C(=O)Nc2cccc3ccccc23)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O1\n",
      "O=C(NCC[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)[C@@H](CO)O1)c1ccc2c(c1)OCO2\n",
      "Cc1[nH]cnc1CN1CCc2c(c3ccccc3n2C)C1=O\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ncc(Br)cc2C1=O\n",
      "COc1ccc2cccc(N3CCN(CCNC(=O)c4ccc(F)cc4)CC3)c2c1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(F)cc2)Oc2ncc(C#CCN(C)C)cc2C1=O\n",
      "COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CCC(=O)N2C(C)C\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O[C@@H]1CN(C)Cc1ccc(C(F)(F)F)cc1\n",
      "O=c1cc(-c2ccc(O)cc2)oc2ccc(O)cc12\n",
      "CC(C)(C(=O)c1cccnc1)c1cccnc1\n",
      "C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)CCN1S(=O)(=O)c1c(F)cccc1F\n",
      "Cc1cc(C)c2c(=O)n(CC(=O)N3CCN(c4ccccc4)CC3)ccc2n1\n",
      "COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)CC1CC1)CC31CCN(C(=O)c2ccccc2)CC1\n",
      "C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)C(=O)Cc1ccncc1\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Cc1cc(=O)n(-c2ccccc2)n1C\n",
      "COc1cccc2cc(-c3nnc(SCC(=O)Nc4cccc(Br)c4)n3C)oc12\n",
      "N[C@@H]1C[C@H]1c1ccccc1\n",
      "CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C\n",
      "CCOC(=O)c1cc2c(c(-c3cccc(-c4cccc(OC)c4)c3)n1)[C@H](CCO)N(S(=O)C(C)(C)C)C2\n",
      "CNC[C@@H]1Oc2ncc(-c3ccc(OC)cc3)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C\n",
      "N#C/C(=C\\c1ccc(O)c(O)c1)C(=O)NCc1ccccc1\n",
      "O=C(C[C@H]1C[C@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1\n",
      "Nn1c(=S)[nH]nc(Cc2ccco2)c1=O\n",
      "O=C(OCC#CCSc1nnc(-c2cccc3ccccc23)o1)c1sccc1Cl\n",
      "COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)c(F)c3)c2cc1OC\n",
      "N#Cc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)C2CCC2)[C@@H](CO)N3)cc1\n",
      "CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)O\n",
      "CN(C)C/C=C(\\c1ccc(Br)cc1)c1cccnc1\n",
      "CC(=O)[C@H]1CC[C@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C\n",
      "CN(C)CCOC(c1ccccc1)c1ccccc1\n",
      "CN(C)CCN(Cc1cccs1)c1ccccn1\n",
      "CC(=O)N1CCN(c2ccc(NCc3ccc(Br)o3)cc2)CC1\n",
      "NCCCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O\n",
      "CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@H]4CN(Cc5ccccc5F)C[C@@H]3N4)cc2)c1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)c3ccncc3)cc2C1=O\n",
      "Cc1c(NC(=O)c2cccnc2)c(=O)n(-c2ccccc2)n1C\n",
      "N#C[C@@H]1[C@H](c2ccc(C3=CCCCC3)cc2)[C@@H](CO)N1S(=O)(=O)c1ccccc1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O[C@@H]1CN(C)Cc1ccc(C(=O)O)cc1\n",
      "COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)O3)cc1\n",
      "CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2)CC1\n",
      "O=S(=O)(c1ccc2c(c1)OCCO2)N1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1c(F)cccc1F\n",
      "COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1cc(F)ccc1F)CC31CN(C(=O)C2CC2)C1\n",
      "C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@@H]1CN(C)C(=O)CC1CC1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O\n",
      "CCCCCCCCCCCCCCSCC(=O)O\n",
      "O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccc3c(c2)OCO3)O1)Nc1ccc(-c2ccccc2)cc1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccccc3)cc2CC1=O\n",
      "C[C@H]1CCCCO[C@@H](CN(C)Cc2ccccc2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O1\n",
      "Cc1ccc(-c2nn(C(C)(C)C)c3ncnc(N)c23)cc1\n",
      "O=C1c2ccccc2-c2onc3c(Cl)cc(NC4CCCCC4)c1c23\n",
      "CN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1\n",
      "CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C\n",
      "Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)CC2CCCCC2)OCCCC[C@H](C)O3)cc1\n",
      "Cc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O\n",
      "Cc1[nH]c2ccc(Cl)cc2c1C1=CCNCC1\n",
      "Nc1c(CC(=O)O)cccc1C(=O)c1ccc(Br)cc1\n",
      "CCN(C[C@H]1[C@H](c2ccc(C3=CCCCC3)cc2)[C@H](CO)N1CC1CC1)C(C)=O\n",
      "C[C@@H]1CCCCO[C@@H](CN(C)C(=O)CCC(F)(F)F)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2O1\n",
      "Cc1ccccc1S(=O)(=O)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2ccc(C#N)cc2)cc1\n",
      "COc1c2ccoc2nc2c(OC)c(OC[C@@H](O)C(C)(C)O)ccc12\n",
      "O=C1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)ccc2N1\n",
      "O=C(CSc1nnc2c(n1)[nH]c1ccccc12)Nc1cccc(C(F)(F)F)c1\n",
      "CCCCC1CCC(c2ccc(C(=O)O)cc2)CC1\n",
      "NS(=O)(=O)c1cccc2c1c([N+](=O)[O-])cc1nc(O)c(O)nc12\n",
      "CCCN(C)C[C@@H]1Oc2cc(-c3ccc(C#N)cc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C\n",
      "CCOc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccccc2)cc1\n",
      "Cc1cccc(C(=O)NCN2CCN(c3ccccc3C#N)CC2)c1\n",
      "[N-]=[N+]=Nc1ccccc1[C@H]1OC(c2ccc(OCCCO)cc2)=N[C@@]1(Cc1ccccc1)C(N)=O\n",
      "OC[C@@H]1[C@@H]2c3ccccc3NC[C@@H]2N1Cc1cccnc1\n",
      "Nc1nc(O)c2ncn(CCC(CO)CO)c2n1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O\n",
      "CCCN(C)C[C@H]1OCCCC[C@H](C)Oc2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2C(=O)N([C@H](C)CO)C[C@H]1C\n",
      "C[C@H]1CCCCO[C@H](CN(C)C(=O)CCC(F)(F)F)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2O1\n",
      "C[C@H]1CCCCO[C@H](CN(C)C(=O)CCC(F)(F)F)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NS(C)(=O)=O)ccc2O1\n",
      "O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1F\n",
      "COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC\n",
      "C[N+](C)(CCOc1ccccc1)Cc1ccccc1\n",
      "CCn1cc(C(=O)O)c(=O)c2ccc(C)nc21\n",
      "CCCC#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)Nc1cccc(F)c1)O2\n",
      "O=C(OCC#CCSc1nnc(-c2cccc3ncccc23)o1)c1ccc(F)cc1\n",
      "c1cnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc1\n",
      "N#CC(C#N)=C(N)/C(C#N)=C/c1cc(O)c(O)c(O)c1\n",
      "CCc1cnc(N2[C@H](C#N)[C@H](c3ccc(C4=CCCCC4)cc3)[C@H]2CO)s1\n",
      "O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2cncnc2)Oc2cc(/C=C/c3ccccc3)ccc2S1(=O)=O\n",
      "CC(C)(C)OC(=O)CC[C@]1(C(=O)N2CCCCC2)N=C(c2ccc(OCCCO)cc2)O[C@H]1c1ccccc1\n",
      "N#C[C@@H]1[C@H](c2ccc(C3=CCCCC3)cc2)[C@H](CO)N1C(=O)CN1CCOCC1\n",
      "CCCCCCCCCCCCCCCCCCc1ccc(C(=O)C=CC(=O)O)cc1\n",
      "C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)C(=O)Cc1ccccc1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O[C@@H]1CN(C)Cc1ccc(-c2ccccc2)cc1\n",
      "Cc1c(C(=O)NC2CCCCC2)sc2nc3ccc(N)cc3n12\n",
      "CCCCC[C@H](O)C=C[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O\n",
      "O=C(c1cccc(F)c1)N1CC[C@@H]2[C@H](CO)Nc3ccc(C#Cc4ccccc4)cc3[C@@H]21\n",
      "COc1ccc(CSc2nc(C)cc(O)n2)cc1\n",
      "CNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2ccc3c(c2)OCO3)O1\n",
      "CCCc1cc(=O)[nH]c(=S)[nH]1\n",
      "C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C\n",
      "CC(=O)N(C)CC#CCN1CCC(O)CC1\n",
      "COc1ccc(S(=O)(=O)N2CCC3(CC2)CN(Cc2ccncc2)[C@H](CO)c2[nH]c4cc(OC)ccc4c23)cc1\n",
      "Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)COc1ccccc1[N+](=O)[O-]\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccccc2)OCc2cn(nn2)CCCC1=O\n",
      "CCCNC(=O)N1[C@H](C#N)[C@H](c2ccc(C3=CCCCC3)cc2)[C@H]1CO\n",
      "NS(=O)(=O)Cc1noc2ccccc12\n",
      "O=C(O)COc1ccc(OCCNC[C@@H](O)COc2ccccc2)cc1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2O[C@H](C)CCCCO[C@@H]1CN(C)Cc1ccc(Cl)c(Cl)c1\n",
      "Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)O\n",
      "CCOc1ccccc1C=NNC(=O)c1nnn(-c2nonc2N)c1CN1CCCCCC1\n",
      "[C-]#[N+]C(=C(/N)SC)/C(C#N)=C(\\N)SC\n",
      "Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc2ccncc2)OCCCC[C@@H](C)O3)cc1\n",
      "CO[C@@]1(NC(=O)CSCC#N)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21\n",
      "COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(CC1CC1)CC31CCN(Cc2ccc(F)cc2)CC1\n",
      "C[C@H]1CCCCO[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3cn(C)cn3)ccc2O1\n",
      "Nc1ccc(C(=O)Nc2cccc(-c3nc(N4CCOCC4)c4oc5ncccc5c4n3)c2)cn1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Nc2ccc(F)cc2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O\n",
      "COc1ccccc1CNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)Nc4ccc(F)c(F)c4)cc3C(=O)N2C)O1\n",
      "CC1(C)S[C@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O\n",
      "COc1ccccc1C#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)S(=O)(=O)c1cn(C)cn1)O2\n",
      "Cc1cc(NC(=O)CCl)no1\n",
      "C[C@](N)(Cc1ccc(O)c(O)c1)C(=O)O\n",
      "C[C@H]1CCCCO[C@H](CN(C)CC2CC2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O1\n",
      "N#C[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1S(=O)(=O)c1ccc(F)cc1\n",
      "CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21\n",
      "COc1ccc(C#Cc2cnc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)CC2CCCC2)O3)cc1\n",
      "COc1ccc(C(=O)C2CCN(c3ncnc4sccc34)CC2)cc1\n",
      "O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccc(Oc3ccccc3)cc2)O1)N1CCN(c2ccccc2)CC1\n",
      "COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)O3)cc1\n",
      "COc1ccc(NC(=O)N(C)C[C@H]2Oc3ccc(N(C)C)cc3CC(=O)N([C@H](C)CO)C[C@H]2C)cc1\n",
      "C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)C(=O)c1ccccc1\n",
      "C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)Cc1ccccc1F\n",
      "Cc1nc2c(O)cccc2c(=O)[nH]1\n",
      "C[C@H]1CCCCO[C@H](CN(C)Cc2ccc3c(c2)OCO3)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(N(C)C)ccc2O1\n",
      "CNc1nc(N)c([N+](=O)[O-])c(Nc2cccc(Cl)c2)n1\n",
      "COc1cc(C(=O)OCCCN2CCCN(CCCOC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC\n",
      "COc1cc(C(C)=O)ccc1OCCCN1CCC(c2noc3cc(F)ccc23)CC1\n",
      "C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)S(=O)(=O)c1ccc(F)cc1\n",
      "COCc1cn(CC[C@H]2CC[C@@H](NC(=O)Nc3ccc(C(F)(F)F)cc3)[C@@H](CO)O2)nn1\n",
      "CNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(-c3cccc(C#N)c3)cnc2O[C@H]1CN(C)Cc1ccc(F)cc1\n",
      "CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4Cc3ccc4c(c3)OCO4)cc2)c1\n",
      "COc1ccccc1-c1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)CC1CCOCC1)O2\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)c2O[C@H]1CN(C)S(=O)(=O)c1ccc(Cl)cc1\n",
      "CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@H](CO)N4CCCCN(Cc5cccnc5)C[C@@H]34)cc2)c1\n",
      "COc1cc(S(=O)(=O)n2nnc3ccccc32)c(OC)cc1Cl\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)CC(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc1ccc3c(c1)OCO3)O2\n",
      "O=C(Nc1ccc(F)c(C(F)(F)F)c1)Nc1nnc(-c2ccncc2)s1\n",
      "O=C1NC(c2cccc([N+](=O)[O-])c2)=CCN1c1ccccc1O\n",
      "CCS(=O)(=O)N[C@@H]1C[C@@]2(C)O[C@]1(C)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12\n",
      "c1ccc(Cn2c(SCCN3CCOCC3)nc3ccccc32)cc1\n",
      "NC[C@H]1CC[C@H](C(=O)Oc2ccc(CCC(=O)O)cc2)CC1\n",
      "C/C(=C\\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)c2cccnc2)O1)Nc1ccc(-c2ccccc2)cc1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)c3ccc(-c4nccs4)cc3)c2O[C@@H]1CN(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1\n",
      "CC(C)(C)[C@H](NC(=O)c1ccc(N)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C#N)CC(=O)O\n",
      "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C\n",
      "C=CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1cccc(Cl)c1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O[C@H]1CN(C)Cc1ccc(-c2ccccc2)cc1\n",
      "CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)O)cc3)[nH]c2c1=O\n",
      "CCC(=O)N1C[C@H](O)COC[C@@H]2O[C@@H](CC(=O)NC)CC[C@H]21\n",
      "Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12\n",
      "CCOC(=O)c1cc2c(cn1)[nH]c1ccccc12\n",
      "COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\\Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)c1ccccc1\n",
      "Oc1ccc(CNc2ccc(C(F)(F)F)cc2F)c2cccnc12\n",
      "COc1cccc(C#Cc2ccc3c(c2)O[C@@H](CN(C)C)[C@H](C)CN([C@@H](C)CO)S3(=O)=O)c1\n",
      "COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2ccccc2-c2ccccc2CO[C@@H]1CN(C)Cc1ccc2c(c1)OCO2\n",
      "CCCCCCC(=O)OC1CC(C)(C)NC(C)(C)C1\n",
      "Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)CC1CCCCC1)OCCCC[C@H](C)O2\n",
      "O=C(NNS(=O)(=O)c1c(F)cc(F)c(Cl)c1F)C12CC3CC(CC(C3)C1)C2\n",
      "O=S(=O)(c1ccc(CN2CCOCCOCCN(Cc3ccc(S(=O)(=O)C(F)(F)F)cc3)CCOCC2)cc1)C(F)(F)F\n",
      "O=c1c2ccc(F)cc2sn1-c1ccccc1\n",
      "CCN(CC)CC1CCN(c2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1\n",
      "CN(C)C/C=C/C(=O)Nc1cccc(C(=O)Nc2cccc(Nc3nccc(-c4cccnc4)n3)c2)c1\n",
      "Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1\n",
      "COc1cc(CN2C[C@H]3N[C@@H](C2)[C@@H]3c2ccc(-c3ccc(C#N)cc3)cc2)cc(OC)c1\n",
      "COc1ccc(-c2noc(CC(=O)O)c2-c2ccc(OC)cc2)cc1\n",
      "CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@@H](C)O)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1\n",
      "CC(=O)Nc1ccc(/C=N/NC(=O)CC2CCCCC2)cc1\n",
      "CC[C@@H](C(N)=O)N1CCCC1=O\n",
      "O=C(N[C@H]1CC[C@H](CC(=O)N2CCOCC2)O[C@H]1CO)c1ccccn1\n",
      "CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NCCN3CCCC3)nc(-c3cccc(-c4ccc(C#N)cc4)c3)c2[C@H]1CCO\n",
      "O=C1NC(=O)C(c2c[nH]c3ccccc23)=C1c1c[nH]c2ccccc12\n",
      "CN1C(=O)c2cc(NC(=O)Cc3cccs3)ccc2OC[C@H]2O[C@@H](CC(=O)N[C@H]3CCN(Cc4ccccc4)C3)CC[C@@H]21\n",
      "COC[C@@]1(CO)C(=O)[C@H]2CC[N@@]1CC2\n",
      "CCN1CCC(n2cc(CNc3cc(Cl)c4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3)nn2)CC1\n",
      "CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CNCC2\n",
      "CN(C)CC(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(/C=C/c3ccccc3)cc1)[C@@H]2CO\n",
      "COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(C)C2\n",
      "c1cc(Cc2cnc[nH]2)ccn1\n",
      "N[C@@]1(C(=O)O)CS(=O)(=O)[C@H]2[C@H](C(=O)O)[C@H]21\n",
      "C[C@@H]1CCCCO[C@H](CN(C)C(=O)CCC(F)(F)F)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2O1\n",
      "Cn1c2ccsc2c2ncn(Cc3ccc(F)cc3)c(=O)c21\n",
      "CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1\n",
      "C[C@H]1CCCCO[C@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O1\n",
      "Cn1ccc2cc(-c3ccc4ncnc(NCc5cccs5)c4c3)ccc21\n",
      "N#CC(C#N)=Cc1ccc(O)c(O)c1\n",
      "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O\n",
      "O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3c[nH]cn3)n2)c1)N1CCCC1\n",
      "CC[N+](C)(C)Cc1ccccc1Br\n",
      "C[C@H]1CCCCO[C@H](CN(C)CC2CC2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3cn(C)cn3)ccc2O1\n",
      "O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1\n",
      "C/C(=C\\c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)C3CC3)ccc2O[C@H]1CN(C)C(=O)Nc1ccc(F)cc1\n",
      "COc1ccc(C2=Nn3c(nnc3-c3ccccc3OC)SC2)cc1OCC1CC1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(C#CCN(C)C)cnc2O[C@@H]1CN(C)Cc1ccc(F)cc1\n",
      "COc1cc(/C=C2/N=C(c3ccccc3)OC2=O)c(F)cc1OCc1ccccc1\n",
      "CCCN(C)C[C@@H]1OCCCC[C@H](C)Oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2C(=O)N([C@@H](C)CO)C[C@H]1C\n",
      "Cc1c(O)c(=O)n(-c2ccccc2)n1C\n",
      "NC(=O)C1CCN(c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)CC1\n",
      "C[C@H]1CCCCO[C@H](CN(C)C(=O)Cc2ccccc2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O1\n",
      "CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(=O)O)C1=O\n",
      "CCCCC(=O)N/N=C(\\C)c1ccc(NC(=O)C(F)(F)F)cc1\n",
      "CNC(=O)c1cccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)c1\n",
      "O=C(CNc1cccc([N+](=O)[O-])c1)NN=Cc1ccc([N+](=O)[O-])o1\n",
      "N#Cc1cc2ccc(N3CCOCC3)cc2cc1C#N\n",
      "O=C(NOC[C@H](O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F\n",
      "CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)c5ccccn5)C[C@@H]3N4)cc2)cc1\n",
      "O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2cccnc2)O1)NCc1ccccc1\n",
      "O=C(C=Cc1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)Nc1ccccc1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)CC2CC2)Oc2cc(C#Cc3cccc(F)c3)ccc2S1(=O)=O\n",
      "Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc21\n",
      "O=C(O)c1ccc(-c2noc(-c3ccccc3C(F)(F)F)n2)cc1\n",
      "CN(C)CC(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NCc3ccc4c(c3)OCO4)O[C@H](CO)[C@H]1O2\n",
      "CC[n+]1ccccc1Br\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O\n",
      "CC(C)CC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(=O)CC1CC1)O2\n",
      "COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(C)(=O)=O)CC1\n",
      "C[C@H]1CCCCO[C@@H](CN(C)CC2CCCCC2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NS(C)(=O)=O)ccc2O1\n",
      "CCCc1nn(C)c2c(=O)nc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)[nH]c12\n",
      "Cc1ccccc1S(=O)(=O)N1C[C@@H](O)COC[C@@H]2O[C@@H](CC(=O)NCc3ccccc3Cl)CC[C@H]21\n",
      "Cc1c(Cl)cccc1Nc1ccccc1C(=O)O\n",
      "c1ccc(CCCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1\n",
      "O=C(c1ccoc1)N1CCN(c2cc(-c3ccco3)nc3cc(-c4ccccc4)nn23)CC1\n",
      "COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1\n",
      "COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccccc1Cl)CC31CN(C(C)=O)C1\n",
      "C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)c3ccncc3)cc2C1=O\n",
      "COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2cccc3ccccc23)OCCCC[C@@H](C)Oc2ccc(NC(=O)c3ccncc3)cc2C1=O\n",
      "Nc1ccc2c3c(cccc13)C(=O)NC2=O\n",
      "Cc1cc2c(s1)c1cnn(Cc3cc(F)c(F)cc3F)c(=O)c1n2C\n",
      "O=C(Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)n1)c1cc([N+](=O)[O-])ccc1Cl\n",
      "CNC[C@@H]1OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3cccs3)cc2C(=O)N([C@H](C)CO)C[C@H]1C\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O[C@@H]1CN(C)Cc1ccc(Cl)c(Cl)c1\n",
      "O=C(/C=C/c1ccc(Cl)c(Cl)c1)NC1=NCCS1\n",
      "COc1ccc([C@H]2CC(=O)C=C(c3cccc4c3sc3ccccc34)C2)cc1OC\n",
      "Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)CCl)cc1\n",
      "Retry on CC1(C)C=Cc2cc3c(cc2O1)[N+]([O-])=C1C3=C[C@@]2(CC1(C)C)NC(=O)[C@@H]1CCCN1C2=O\n",
      "CC1(C)C=Cc2cc3c(cc2O1)[N+]([O-])=C1C3=C[C@@]2(CC1(C)C)NC(=O)[C@@H]1CCCN1C2=O\n",
      "c1ccc(C(NCc2cccnc2)(c2ccccc2)c2ccccc2)cc1\n",
      "CCCN(C)C[C@@H]1Oc2cc(C3=CCCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C\n",
      "CCOC(=O)CCSc1nnc(S)s1\n",
      "COc1ccc(CN(C)C[C@H]2OCCCC[C@H](C)Oc3ccc(NC(=O)Nc4c(C)noc4C)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1\n",
      "O=c1cc(-c2ccc(O)cc2)oc2cc(O)ccc12\n",
      "CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C\n",
      "CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1\n",
      "CC(C)CC#Cc1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)c4cccc(F)c4)C[C@@H]23)cc1\n",
      "Cc1ccc(Cl)c(Nc2ccccc2C(=O)O)c1Cl\n",
      "CCN(CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12\n",
      "CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2CCCN2CC)c1O\n",
      "Cc1ncsc1CCCl\n",
      "COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5ccc([N+](=O)[O-])cc5)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC4\n",
      "CCCN(CCC)c1nc(Cl)nc2ccccc12\n",
      "COc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2cc1OC\n",
      "Cc1onc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1Br\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2O[C@H](C)CCCCO[C@H]1CN(C)C(=O)Nc1ccccc1\n",
      "c1cncc(CNc2ncnc3ccc(-c4ccc5c(c4)OCCO5)cc23)c1\n",
      "COc1cc(CNC(=O)CCCC/C=C/C(C)C)ccc1O\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc4c(c3)OCO4)ccc2O[C@@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1\n",
      "Cc1cccc(NC(=O)CCC(=O)O)c1\n",
      "O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1\n",
      "CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)C1=CNC=CN1)B(O)O\n",
      "CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N\n",
      "O=S(=O)(c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1\n",
      "COc1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)CN2CCOCC2)[C@H](CO)N3)cc1\n",
      "Cc1ccc(-n2c(N)c(C#N)c(-c3ccccc3)c(C#N)c2=O)cc1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Nc2ccc(F)cc2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O\n",
      "CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1\n",
      "C=CCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1O\n",
      "Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C\n",
      "CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)c1c[nH]c3ccccc13)C2\n",
      "O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)c2ccccc2)O1)NCCCN1CCOCC1\n",
      "COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-c3ccc(C(C)=O)cc3)cc2)CC1\n",
      "NC(=O)C1CCN(c2nc(-c3ccc4c(c3)CCO4)cs2)CC1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)CCC(F)(F)F)ccc2O[C@H](C)CCCCO[C@@H]1CN(C)C(=O)NC1CCCCC1\n",
      "CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1\n",
      "CCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C\n",
      "O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(S(=O)(=O)c2ccco2)CC1\n",
      "O=C(c1ccccc1)c1ccc(N2CCOCC2)cc1O\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccncc2)Oc2cc(C#CCN(C)C)ccc2S1(=O)=O\n",
      "COc1cccc([C@]2(O)CCCC[C@H]2CN(C)C)c1\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "COc1cccc(S(=O)(=O)Nc2ccc3c(c2)[C@@H]2C[C@H](CC(=O)N4CCCCC4)O[C@@H](CO)[C@@H]2O3)c1\n",
      "CC(C)(C)[S@](=O)N1Cc2cc(C(=O)N3CCc4ccccc4C3)nc(-c3cccc(-c4cccnc4)c3)c2[C@@H]1CCO\n",
      "COc1ccc(CN(C)C[C@H]2Oc3c(NC(=O)Nc4ccc(C(F)(F)F)cc4)cccc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1\n",
      "Nc1ccc2c[nH]nc2c1\n",
      "COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(OC)cc2)O3)cc1\n",
      "C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CCC2=O\n",
      "Cc1nc2ccccn2c1C(O)(c1ccccc1)c1ccccc1\n",
      "c1csc(CNc2ncnc3ccc(-c4ccc5c(c4)OCCO5)cc23)c1\n",
      "Cc1ccc2oc(NC3=NC4=C(C(=O)CCC4)C4(CCCC4)N3)nc2c1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NS(C)(=O)=O)cccc2C1=O\n",
      "c1cncc(-c2ccc([C@@H]3[C@H]4CN(Cc5ccc6c(c5)OCO6)C[C@@H]3N4)cc2)c1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(F)cc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O\n",
      "CCc1cc(C(=N)S)ccn1\n",
      "N#CC(=Cc1ccc(O)c(O)c1)C(N)=O\n",
      "COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CN(C(=O)Nc2ccccc2)C1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NS(=O)(=O)c3cccs3)c2O[C@@H]1CN(C)Cc1ccc(Cl)c(Cl)c1\n",
      "CCCCc1c(-c2ccc(OC)cc2)[nH]c2nccnc12\n",
      "CC(C)(C)c1cc(C(=O)C=Cc2ccc(C(=O)O)cc2)cc(C(C)(C)C)c1\n",
      "O=c1c2cc(F)ccc2sn1-c1ccccc1Cl\n",
      "CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O\n",
      "COC(=O)Nc1nc2ccc(Sc3ccccc3)cc2[nH]1\n",
      "CC(C)c1ccc(/C=C/C(=O)NC2=NCCS2)cc1\n",
      "COc1ccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)C5CC5)C[C@@H]34)cc2)cc1\n",
      "CN(C)CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCN3CCOCC3)ccc2O[C@H]1CN(C)Cc1ccc(-c2ccccc2)cc1\n",
      "O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)c2cccnc2)O1)Nc1ccc(-c2ccccc2)cc1\n",
      "Cn1nnnc1Sc1ncnc2scc(-c3ccccc3C(F)(F)F)c12\n",
      "CCCN(C)C[C@H]1OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2C(=O)N([C@@H](C)CO)C[C@H]1C\n",
      "CO[C@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@@H]1N[C@@H]12\n",
      "COc1ccccc1-c1cc2nc(-c3ccccc3)cc(N3CCN(C(=O)c4ccoc4)CC3)n2n1\n",
      "C[C@H]1CCCCO[C@H](CN(C)S(=O)(=O)c2ccc(F)cc2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2O1\n",
      "C[C@H](NCCc1ccc(O)cc1)[C@H](O)c1ccc(O)cc1\n",
      "CN(CCCCCCCCCCN(C)C(=O)Oc1cccc([N+](C)(C)C)c1)C(=O)Oc1cccc([N+](C)(C)C)c1\n",
      "CCOc1cc(/C=C(/C#N)C(N)=O)cc(CSc2ccccc2)c1O\n",
      "CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1\n",
      "C[C@H]1CCCCO[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O1\n",
      "Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)CC2CCCCC2)OCCCC[C@H](C)O3)cc1\n",
      "C[C@@H](CN1CCC(Cc2ccccc2)CC1)[C@@H](O)c1ccc(O)cc1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O\n",
      "CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)NCC(=O)O\n",
      "NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O\n",
      "O=C(C[C@@H]1CC[C@H]2NC[C@@H](O)COC[C@@H]2O1)Nc1ccc(-c2ccccc2)cc1\n",
      "COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#CC4=CCCCC4)ccc31)[C@H](C(N)=O)[C@H]1C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N1[C@@H]2c1ccccc1OCCO\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)C)O2\n",
      "CN(C)c1nc(N)nc(CSc2nnnn2-c2cccc3ccccc23)n1\n",
      "CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@H](C)N(C(=O)c2ccccc2)C[C@H]1C\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)C)O2\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)c2O[C@@H]1CN(C)CC1CCCCC1\n",
      "CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C\n",
      "CCN1CCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC\n",
      "CCOC(=O)CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C\n",
      "C=CCN1Cc2ccccc2[C@@H]2OC(c3ccc(OCCCO)cc3)=N[C@]2(CCC(=O)OC(C)(C)C)C1=O\n",
      "O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc2oc(-c3ccccc3Cl)nc2c1\n",
      "O=c1c(-c2ccccc2)c1-c1ccccc1\n",
      "NCCCN(Cc1ccco1)C1CCCC1\n",
      "O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)Nc1ccc2c(c1)CCC2\n",
      "CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(Cc5cccnc5)C[C@@H]34)cc2)c1\n",
      "CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)Cc1cccc(C(F)(F)F)c1\n",
      "COc1ccc2cc3cc(C(=O)Nc4ccc(F)cc4)sc3nc2c1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)c3ccc(-c4nccs4)cc3)c2O[C@@H]1CN(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1\n",
      "COP(=S)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1\n",
      "O=C(Nc1ccccc1F)N[C@@H]1CC[C@@H](CCNC(=O)C2CCCCC2)O[C@@H]1CO\n",
      "O=C1Nc2ccccc2/C1=C/c1ccc[nH]1\n",
      "Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)CC2CCCCC2)OCCCC[C@@H](C)O3)cc1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Cn3cnnn3)ccc2O[C@H]1CN(C)Cc1ccc(C(F)(F)F)cc1\n",
      "N#C[C@H]1[C@H](c2ccc(C3=CCCCC3)cc2)[C@H](CO)N1C(=O)CN1CCOCC1\n",
      "COc1ccc(CN(C)C[C@H]2OCCCC[C@@H](C)Oc3ccc(NC(=O)Nc4c(C)noc4C)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1\n",
      "CCCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]2N1Cc1ccccc1F\n",
      "CC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)CC2)cc1\n",
      "c1cncc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4CC3CC3)cc2)c1\n",
      "O=C(c1cnccn1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CCc4ccccc4)cc3)[C@@H]2C1\n",
      "N=C(NCCc1ccc(I)cc1)SCCCc1c[nH]cn1\n",
      "C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3)cc2O[C@H]1CN(C)Cc1cccc(F)c1\n",
      "COC(=O)c1cc2cc(S(C)(=O)=O)ccc2n1Cc1ccc(Cl)cc1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)NC3CCCCC3)c2O[C@H]1CN(C)Cc1ccc(C(F)(F)F)cc1\n",
      "COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc32)c1C\n",
      "Cc1ccccc1-c1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)CC1CCOCC1)O2\n",
      "O=C(c1ccccn1)N(Cc1ccco1)C1(C(=O)NC2CCCCC2)CCCCC1\n",
      "N#C[C@H]1[C@H](c2ccc(C3=CCCCC3)cc2)[C@@H](CO)N1C(=O)c1cccc(F)c1\n",
      "CCC(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3ccc(C#N)cc3)cc1)[C@@H]2CO\n",
      "COc1ccc(C=Cc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)cc1\n",
      "Cc1ncc([N+](=O)[O-])n1CCO\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(=O)Cc1ccccc1)OCCCC[C@H](C)O2\n",
      "CN(C)CC(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NCc3ccc4c(c3)OCO4)O[C@H](CO)[C@@H]1O2\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)C3CC3)cc2CC1=O\n",
      "C/C=C/C/C=C/CCC(=O)[C@H]1O[C@H]1C(N)=O\n",
      "CCCOc1ccc2nc(NC(=O)OC)[nH]c2c1\n",
      "C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O\n",
      "Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)C1CCCCC1)OCCCC[C@H](C)O2\n",
      "CCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccc(Cl)c(Cl)c2)O1\n",
      "COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(OC)cc2)O3)cc1\n",
      "CC1(C)C(=O)NN=C1c1ccc(Cl)cc1\n",
      "Cc1ccsc1CNc1ncnc2ccc(-c3c(C)noc3C)cc12\n",
      "CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C)C#N)c1\n",
      "CCCn1c(=O)c(C)cn2nc(N)nc12\n",
      "CO[C@@H]1CC[C@@H]2CCOc3c(C#N)cccc3C(=O)N(C)C[C@H](c3ccccc3)CC(=O)N(C)C[C@H]1O2\n",
      "Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)Cn4cnnn4)[C@H]3SC2)s1\n",
      "N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1\n",
      "CC(=O)Nc1ccc(C(=O)Nc2ccccc2N)cc1\n",
      "Oc1ccc(/C=C/c2c(F)cccc2F)c2cccnc12\n",
      "Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)co2)n1\n",
      "COC1(C[S@@](=O)c2ccccc2)CCN(CCc2c[nH]c3ccc(F)cc23)CC1\n",
      "CCNC(=O)N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1\n",
      "CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(OC(=O)CC(C)C)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O)C=CC=CC[C@@H](C)OC(=O)C[C@H]1OC(C)=O\n",
      "C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(C#N)cc3)cc2O[C@H]1CN(C)Cc1cccc(F)c1\n",
      "S=C(Nc1ccc(Cl)c(Cl)c1)Nc1nnc(-c2ccncc2)s1\n",
      "CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O\n",
      "CCC(=O)N1CCC2(CC1)CN(Cc1cc(F)ccc1F)[C@@H](CO)c1c2c2ccc(OC)cc2n1C\n",
      "CC(=O)NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21\n",
      "CC(C)C(=O)SCCCCCCC(=O)Nc1nc(-c2ccccc2)cs1\n",
      "CC(C)(C)c1ccc(-c2csc(N3CCC(C(N)=O)CC3)n2)cc1\n",
      "CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCC3CC3)O[C@H]1CO2\n",
      "CN1C[C@H](O)COC[C@H]2O[C@@H](CC(=O)NC3CCC3)CC[C@@H]21\n",
      "O=C(O)c1ccc2c3c1cccc3c(=O)n1c3ccccc3nc21\n",
      "COc1cc(O)c2c(c1)O[C@@H](c1ccccc1)CC2=O\n",
      "CCN(CC)CC(=O)Nc1c(C)cccc1C\n",
      "C[C@@H]1CCCCO[C@@H](CN(C)CC2CC2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2O1\n",
      "N#C/C(=C\\c1ccco1)c1nc2ccccc2[nH]1\n",
      "N[C@H](C(=O)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1)c1ccccc1\n",
      "C=CC(=O)Nc1ccc(C(=O)c2sc(Nc3ccc(N4CCN(C)CC4)cc3OC)nc2N)cc1\n",
      "CC1(C)Oc2ccc(C#N)cc2[C@@H](OC2=CC(=O)CC2)[C@@H]1O\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O[C@H]1CN(C)Cc1ccc(-c2ccccc2)cc1\n",
      "C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N/O)c3csc(N)n3)[C@H]2SC1\n",
      "CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1\n",
      "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@@H]2N[C@@H](COCCOC)O[C@H]([C@H]2C)[C@]1(C)O\n",
      "O=c1c2ccccc2sn1-c1ccc(Cl)cc1\n",
      "COc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3c(NC(=O)Nc4ccccc4)cccc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1\n",
      "C[C@@H](O[C@H]1OCCN(Cc2nc(=O)[nH][nH]2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Cc1noc(C)c1S(=O)(=O)N(C)C[C@H]1OCCCC[C@@H](C)Oc2ccc(NC(=O)NC(C)C)cc2C(=O)N([C@@H](C)CO)C[C@H]1C\n",
      "COc1cc2ncnc(Nc3ccc(O)c(Br)c3)c2cc1OC\n",
      "CC(C)NC(=O)N(C)C[C@H]1OCCCC[C@@H](C)Oc2ccc(NC(=O)C3CCCCC3)cc2C(=O)N([C@H](C)CO)C[C@H]1C\n",
      "O=C1N=C(Nc2cccc(C(=O)O)c2)S/C1=C/c1ccc(-c2ccc(C(=O)O)cc2)o1\n",
      "CNC[C@@H]1Oc2cc(-c3cccc(C(=O)N(C)C)c3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C\n",
      "CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)NC3CCCCC3)ccc2O[C@H]1CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1\n",
      "COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC\n",
      "C[C@H]1CCCCO[C@H](CN(C)C(=O)NC2CCCCC2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O1\n",
      "CC(=O)c1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1\n",
      "CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21\n",
      "Fc1ccc(Nc2nnc(-c3ccncc3)s2)cc1Cl\n",
      "FC(F)(F)c1ccc2c(c1)Nc1ccccc1S2\n",
      "O=C(O)/C=C/c1ccc(Cn2ccnc2)cc1\n",
      "O=C1NCCN1c1ncc([N+](=O)[O-])s1\n",
      "COc1cccc(-c2nc(-c3ccc(C(=O)O)cc3)no2)c1\n",
      "CCc1ccc(O)c(NC(=S)NC(=O)COc2ccc(C)cc2C)c1\n",
      "COc1cc(C(=O)N2CCOCC2)cc(OC)c1OC\n",
      "CNC[C@H]1Oc2cc(C#CCN(C)C)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C\n",
      "N[C@H]1CONC1=O\n",
      "C[C@@H]1CCCCO[C@@H](CN(C)CC2CCCCC2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3cn(C)cn3)ccc2O1\n",
      "Clc1ccc(-c2nc3sccn3c2/C=N/OCc2ccc(Cl)c(Cl)c2)cc1\n",
      "COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)Nc3ccc(F)cc3)ccc2O[C@@H]1CN(C)Cc1ccc(C(F)(F)F)cc1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)Cc2cc(N(C)C)ccc2O[C@H]1CN(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1\n",
      "CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c(n1c1ccccc41)[C@@H]32\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)Nc3ccc(F)cc3)ccc2O[C@@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)CCC(F)(F)F)OCCCC[C@@H](C)Oc2ccc(NC(=O)c3ccncc3)cc2C1=O\n",
      "N#CC1(NC(=O)c2cc3ccccc3oc2=O)CCCCC1\n",
      "COc1cccc(S(=O)(=O)Nc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)c1\n",
      "CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C\n",
      "CC(C)NC(=O)N(C)C[C@@H]1OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C\n",
      "CCC(=O)N1C[C@H](O)COC[C@H]2O[C@H](CC(=O)NCc3cc(F)cc(F)c3)CC[C@@H]21\n",
      "COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC\n",
      "O=c1cc(N2CCN(c3cccc(Cl)c3)CC2)[nH]c(=O)n1C1CCCCC1\n",
      "CC(=O)NN=C(C)c1ccc(NC(=O)C2CC2)cc1\n",
      "O=C(NCCCc1ccccc1)C1CCN(c2nc(-c3ccc(Br)cc3)cs2)CC1\n",
      "COc1cc(/C=N/n2c(S)nnc2C2CCCCC2)cc(Br)c1O\n",
      "CCS(=O)(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Cc3cn(C)c4ccccc34)ccc2O[C@H]1CN(C)Cc1ccc2c(c1)OCO2\n",
      "COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)ccc1O\n",
      "N#Cc1cc2nc(O)c(O)nc2cc1[N+](=O)[O-]\n",
      "CCN1CCN(C(=O)Cc2ccc(Nc3ncc(F)c(Nc4ccc(C(=O)Nc5ccccc5Cl)cc4)n3)cc2)CC1\n",
      "Cc1ccccc1N1CCN(c2ncnc3c2cnn3Cc2ccc(Cl)cc2)CC1\n",
      "CNC(=O)Oc1cccc2c1OC(C)(C)C2\n",
      "O=c1c2ccccc2sn1-c1ccc(Cl)cc1Cl\n",
      "O=C1CNC[C@H]2[C@H](c3ccc(C4=CCCCC4)cc3)[C@H](CO)N12\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cccc(NS(=O)(=O)c3ccc(F)cc3)c2O[C@H]1CN(C)Cc1ccc(Cl)c(Cl)c1\n",
      "c1ccc2c(c1)Nc1ccccc1O2\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O[C@H]1CN(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)C3CCCCC3)cccc2C1=O\n",
      "CC(C)NC[C@@H]1[C@H](c2ccc(C3=CCCCC3)cc2)[C@H](CO)N1C(=O)NC(C)C\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(C#Cc3ccncc3)cnc2O[C@H]1CN(C)C(=O)CN(C)C\n",
      "CCOc1ccc(Cl)cc1Nc1nc(NCCO)nc(N2CCCC2)n1\n",
      "O=C(O)[C@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](Oc2cccc(Cl)c2F)CC1\n",
      "CCCNC[C@H]1[C@@H](c2ccc(C3=CCCCC3)cc2)[C@@H](CO)N1C(=O)C1CCC1\n",
      "O=C1C(=O)N(Cc2ccc(-c3ccc(Cl)nc3)cc2)c2ccc(OC(F)(F)F)cc21\n",
      "CN(C)CCC=C1c2ccccc2CCc2ccccc21\n",
      "O=C(Cc1ccccc1)NC[C@H]1N[C@H](CO)[C@@H]1c1ccc(C2=CCCC2)cc1\n",
      "c1ccc2[nH]c(CNc3nc(N4CCOCC4)nc4c3ncn4-c3ccsc3)nc2c1\n",
      "CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1\n",
      "CN1C(=O)c2cc(NC(=O)Nc3ccc(Cl)cc3)ccc2OC[C@H]2O[C@@H](CC(=O)NCCN3CCCCC3)CC[C@H]21\n",
      "NC(=O)NN=Cc1ccc([N+](=O)[O-])o1\n",
      "Cc1ccc(S(=O)(=O)N(C)C[C@@H]2Oc3c(NC(=O)Nc4cccc5ccccc45)cccc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1\n",
      "Clc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)c(Cl)c1\n",
      "O=C(Nc1cc(CN2CCNCC2)cc(-c2nc3ccccc3[nH]2)c1)c1cnc2ccccc2n1\n",
      "Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2\n",
      "COCc1nc2c(=O)n(C)c(=O)n(CC(C)C)c2[nH]1\n",
      "Cc1cc(NC(=O)Nc2ccc(N(C)C)cc2)c2cc(F)cc(F)c2n1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)c2O[C@H]1CN(C)Cc1ccccc1\n",
      "COc1ccc2c(c1)c1nc3n(c(=O)c1n2CC(=O)N1CCC(Cc2ccccc2)CC1)CCS3\n",
      "CCSc1nc(-c2ccccc2)nc(C(Cl)Cl)n1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)CC2CCCCC2)OCCCC[C@@H](C)Oc2ccc(NC(=O)c3ccncc3)cc2C1=O\n",
      "O=C1Nc2ccccc2C1=C1Nc2ccccc2C1=NO\n",
      "N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1\n",
      "CN(CC[C@@H](Oc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1)CC(=O)O\n",
      "C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@@H]1CN(C)Cc1ccccc1F\n",
      "FC(F)(F)c1ccc2c(c1)N(CCCN1CCN(CCCl)CC1)c1ccccc1S2\n",
      "CNC(S)=NN=Cc1c(C(=O)OC)cnn1-c1ccc(F)cc1F\n",
      "COc1ccc(C[C@H](C)NC[C@@H](O)c2ccc(O)c(NC=O)c2)cc1\n",
      "CC(=Cc1ccccc1)C=C1SC(=S)N(CCCC(=O)Nc2ccc(C(=O)O)cc2)C1=O\n",
      "OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O\n",
      "CN(C)CC#Cc1cccc(-c2nc(C(=O)N3CCN(C)CC3)cc3c2[C@@H](CCO)N(S(=O)C(C)(C)C)C3)c1\n",
      "O=C(O)c1ccccc1NS(=O)(=O)c1cccc(-n2sc3ccccc3c2=O)c1\n",
      "CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC\n",
      "O=C(CCCc1ccc(-c2ccccc2F)cc1)Nc1ccc(O)cc1\n",
      "COc1ccccc1CN1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2ccncc2)cc1\n",
      "c1ccc(C2CC2)c(OCC2=NCCN2)c1\n",
      "CC(C)(C)OC(=O)CC[C@@]1(C(N)=O)N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1\n",
      "COc1cccc(-c2ccc3ncnc(N(C)Cc4ccco4)c3c2)c1\n",
      "CNC(=O)Oc1cccc2ccccc12\n",
      "O=c1[nH]c2cc(C(F)(F)F)ccc2n1-c1cc(C(F)(F)F)ccc1O\n",
      "c1cc(-c2cnn3cc(-c4ccc(OCCN5CCCCC5)cc4)cnc23)ccn1\n",
      "O=C(C[C@H]1C=C[C@@H](NC(=O)CC2CC2)[C@@H](CO)O1)NCC(F)(F)F\n",
      "C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1\n",
      "Oc1ccc(OCc2ccccc2)cc1\n",
      "C[C@]12CC[C@@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(O)CCC(=O)O\n",
      "C=CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)C(=NOCC(=O)O)c3csc(N)n3)[C@H]2SC1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2O[C@H](C)CCCCO[C@@H]1CN(C)C(=O)Nc1ccc(F)cc1\n",
      "O=C(c1cccnc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@H]2C1\n",
      "C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2O[C@@H]1CN(C)CC1CC1\n",
      "CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12\n",
      "Cc1ccc(O)c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c1\n",
      "Oc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1\n",
      "O=C(NCCO)c1cc(-c2ccc(Cl)c(Cl)c2Cl)n[nH]1\n",
      "COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C)CC31CN(S(=O)(=O)c2cccc(C)c2)C1\n",
      "CNc1nc(N)c([N+](=O)[O-])c(Nc2ccccc2)n1\n",
      "COc1ccc(-c2c(O)c3c(OC)c4c(cc3oc2=O)OC(C)(C)C=C4)cc1\n",
      "Cn1cc[nH]c1=S\n",
      "CN(C)CC/C=C1\\c2ccccc2COc2ccccc21\n",
      "Cn1c(NC2=NC3=C(C(=O)CCC3)C3(CCCC3)N2)nc2ccccc21\n",
      "COc1cc2c(cc1Cc1cccc(Cl)c1F)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)C\n",
      "CC1(C)c2[nH]c3ccccc3c2C[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)N21\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)NC(C)C)O2\n",
      "C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O\n",
      "CC[C@H](CO)NCCN[C@H](CC)CO\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(C#CCN(C)C)cnc2O[C@H]1CN(C)Cc1cccc(C(F)(F)F)c1\n",
      "COc1ccc(CN2C(=O)[C@H]3Cc4c([nH]c5ccccc45)C(C)(C)N3C2=O)cc1\n",
      "C/C(=C/CC[C@@H](CO)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C[C@H](O)[C@@]45C[C@@]35CC[C@]12C)CO\n",
      "C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)S(=O)(=O)c1ccc(F)cc1\n",
      "CO[C@@H]1CC[C@H]2CCOc3c(C#N)cccc3C(=O)N(C)C[C@H](C)C(=O)N(C)C[C@H]1O2\n",
      "COC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2CCC(F)(F)F)O1\n",
      "O=C(OCC#CCSc1nnc(-c2ccc3ccccc3c2)o1)c1cccs1\n",
      "Cc1nc2sccn2c(=O)c1CCN1CCC(=C(c2ccccc2)c2ccc(F)cc2)CC1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2C1=O\n",
      "Cc1cc2c(s1)c1cnn(-c3ccccc3)c(=O)c1n2C\n",
      "CC(C)Cn1c(=O)cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[nH]c1=O\n",
      "C=C1C[C@@H]2COC(=O)[C@]2(Cc2ccc3ccccc3c2)C1\n",
      "O=C(O)c1c(Sc2ccccc2)c2cc(Cl)ccc2n1Cc1ccc(Cl)cc1\n",
      "O=C(CC[N+](=O)[O-])OC[C@H]1O[C@@H](O)[C@H](OC(=O)CC[N+](=O)[O-])[C@@H](OC(=O)CC[N+](=O)[O-])[C@@H]1OC(=O)CC[N+](=O)[O-]\n",
      "Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)CC2CCCCC2)OCCCC[C@@H](C)O3)cc1\n",
      "CN(C)CC/C=C1\\c2ccccc2CSc2ccccc21\n",
      "Cc1ccc(-c2ncc(Cl)cc2-c2ccc(S(C)(=O)=O)cc2)cn1\n",
      "C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O\n",
      "Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1\n",
      "CC(C)(C)[S@](=O)N1Cc2cc(C(=O)NCCN3CCCC3)nc(-c3cccc(-c4ccc(C#N)cc4)c3)c2[C@@H]1CCO\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)NC3CCCCC3)c2O[C@H]1CN(C)S(=O)(=O)c1ccc(Cl)cc1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(C3=CCCCC3)cnc2O[C@H]1CN(C)Cc1ccncc1\n",
      "COc1ccc2[nH]c3c(c2c1)CCN=C3C\n",
      "Cc1noc(C)c1NC(=O)Nc1cccc2c1O[C@@H](CN(C)Cc1ccncc1)[C@H](C)CN([C@H](C)CO)C2=O\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2C(=O)[C@@H](N=CN3CCCCCC3)[C@@H]2SC1(C)C\n",
      "C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)Cc1ccccn1\n",
      "O=C(O)CN1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O\n",
      "CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21\n",
      "COc1cc(-c2csc(N3CCC(C(N)=O)CC3)n2)cc(OC)c1OC\n",
      "CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O\n",
      "CCOC(=O)c1cncn1[C@H](C)c1ccccc1\n",
      "CN(C)S(=O)(=O)c1ccc2c(c1)/C(=C\\CCN1CCNCC1)c1ccccc1S2\n",
      "COCCCNC(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1N=[N+]=[N-]\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Cc3cn(C)c4ccccc34)ccc2O[C@@H]1CN(C)Cc1ccncc1\n",
      "CC=C(C(=CC)c1ccc(O)cc1)c1ccc(O)cc1\n",
      "C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O\n",
      "OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1\n",
      "COc1ccc(OC)c(-c2nnc3n2N=C(c2ccc(OC(F)F)c(OCC4CC4)c2)CS3)c1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O\n",
      "C=CCNC(=O)[C@H]1[C@@H]2C(=O)O[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2[C@@H](c2ccc(OCCO)cc2)[C@]12C(=O)Nc1ccc(C#Cc3ccc(OC)cc3)cc12\n",
      "CN1C(=O)c2cc(NC(=O)Cc3cccs3)ccc2OC[C@H]2O[C@@H](CC(=O)NCc3ccc(-c4ccccc4)cc3)CC[C@H]21\n",
      "CCCNC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccc(F)cc4)cc3)[C@H]2C1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O[C@H]1CN(C)S(=O)(=O)c1ccccc1\n",
      "O=C(Oc1coc(CSc2ncccn2)cc1=O)c1ccc([N+](=O)[O-])cc1\n",
      "COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(NCC(=O)O)c2)c(OC)c1\n",
      "C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@@H]1CN(C)Cc1cncnc1\n",
      "CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O\n",
      "CN(C)C(=O)c1ccc(-c2cccc(-c3nc(C(=O)NCc4ccccc4)cc4c3[C@H](CCO)N([S@@](=O)C(C)(C)C)C4)c2)cc1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)CCCN(C)C)ccc2O[C@H](C)CCCCO[C@H]1CN(C)C(=O)CCCN(C)C\n",
      "O=S(=O)(c1ccc2c(c1)OCCO2)[C@H]1CC[C@@H](S(=O)(=O)c2c(F)cccc2F)CC1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)Cc2ccncc2)Oc2ncc(C3=CCCCC3)cc2C1=O\n",
      "COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC\n",
      "COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(CC1CC1)CC31CN(S(=O)(=O)c2cn(C)cn2)C1\n",
      "COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CCN(C(=O)Nc2ccccc2F)CC1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccccn2)Oc2cc(C3=CCCC3)ccc2S1(=O)=O\n",
      "C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]43C)[C@@H]1CC=C2c1cccnc1\n",
      "O=C(c1cccc(F)c1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C4=CCCC4)cc3)[C@@H]2C1\n",
      "CCC(=O)N(C)C[C@@H]1Oc2cc(C3=CCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C\n",
      "c1ccc2nc(C3=NCCN3)ccc2c1\n",
      "CC[C@@]1([C@@H]2O[C@@H]([C@H]3O[C@@](O)(CO)[C@H](C)C[C@@H]3C)C[C@@H]2C)CC[C@H]([C@]2(C)CC[C@]3(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H](OC)[C@H](C)C(=O)O)O3)O2)O1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccccc2F)Oc2ncc(-c3ccccc3F)cc2C1=O\n",
      "NC1=NC(=O)/C(=C/c2ccc(O)cc2)S1\n",
      "Clc1cccc(SC2CCNCC2)n1\n",
      "COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CN(CC2CCOCC2)C1\n",
      "c1cc2c3c(c1)c1c(n3CCNC2)CCCC1\n",
      "COc1ccc(C(=C2C(=O)Nc3ccccc32)c2ccc(OC)cc2)cc1\n",
      "CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)Nc1ccc(O)cc1\n",
      "O=C(CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccc(F)cc1\n",
      "CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)CCNC(C)=O)C(=O)N[C@]1(C)CCC/C=C\\CCC[C@](C)(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CO)C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC1=O\n",
      "O=C(NO)c1ccncc1\n",
      "Cn1nnnc1Sc1ncnc2scc(-c3ccccc3Cl)c12\n",
      "CCOC(=O)CCc1n[nH]c(=O)[nH]c1=O\n",
      "COc1ccccc1Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1\n",
      "C[C@@H]1CC(=O)NN=C1c1ccc(N2CCOCC2)cc1\n",
      "C=CCN1C(=O)[C@]2(O[C@H](CCO)[C@@H]([Si](C)(C)F)[C@@H]2C)c2cc(N3C(=O)c4ccccc4Oc4ccccc43)ccc21\n",
      "Cn1cc(P(=S)(c2ccccc2)c2ccccc2)c2ccccc21\n",
      "O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)CC2CCCCC2)OCCCC[C@@H](C)Oc2ccc(NC(=O)NC3CCCCC3)cc2C1=O\n",
      "CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@H](CO)N4CCCCN(CC5CCOCC5)C[C@@H]34)cc2)cc1\n",
      "CN(C)c1nc(N)nc(CSc2nnnn2-c2ccc(Cl)cc2)n1\n",
      "Cc1ccc(CC2(O)CCN(CCOc3ccc(O)cc3)CC2)cc1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCN3CCOCC3)ccc2O[C@H]1CN(C)C(=O)Nc1ccccc1\n",
      "CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1\n",
      "Cc1ccc2c(c1)c1c(n2CCc2ccc(C)nc2)CCN(C)C1\n",
      "O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc(OCCO)cc1\n",
      "Oc1ccc(-c2ccccc2F)c2cccnc12\n",
      "Cc1nc2c(OCc3ccccc3)cccn2c1CC#N\n",
      "C/C=C/c1ccc([C@H]2[C@@H](C#N)N(c3nc(CC)cs3)[C@@H]2CO)cc1\n",
      "COc1ccccc1CN1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2cccc(C#N)c2)cc1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)c2O[C@@H]1CN(C)S(=O)(=O)c1ccc(Cl)cc1\n",
      "Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccc(-c2cccc(Cl)c2)o1\n",
      "CCN(C[C@H]1N[C@H](CO)[C@@H]1c1ccc(C2=CCCC2)cc1)C(=O)c1ccncc1\n",
      "O=C(c1cnccn1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(/C=C/c3ccccc3)cc1)[C@@H]2CO\n",
      "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C6CCCC6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C\n",
      "CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NCCN3CCCCC3)nc(-c3cccc(-c4cccc(C#N)c4)c3)c2[C@H]1CCO\n",
      "C[C@H]1C/C=C/CCCN[C@H](c2ccccc2)COC1=O\n",
      "O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1\n",
      "O=C(COc1ccc(F)cc1Cl)Nc1nnc(-c2ccc(F)c(F)c2)o1\n",
      "Cc1[nH]c(/C=C2\\C(=O)Nc3ccccc32)c(C)c1CCC(=O)O\n",
      "OCCNc1nc(Nc2ccccc2Oc2ccccc2)nc(N2CCCC2)n1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CC2)Oc2ccc(NC(=O)Nc3ccccc3)cc2CC1=O\n",
      "Cc1ccc(S(=O)(=O)C2CCN(c3nc(-c4cccs4)nc4ccccc34)CC2)cc1\n",
      "Cc1ccc2nc(/C(C#N)=C/c3ccc(C)o3)[nH]c2c1\n",
      "CSc1nc(N)n(-c2cc(Cl)cc(Cl)c2)n1\n",
      "c1cc(-c2ccc([C@@H]3[C@H]4CN(Cc5nccs5)C[C@@H]3N4)cc2)ccn1\n",
      "CCCCC[C@H]1C(=O)O[C@H](C)[C@H](NC(=O)c2cccc(NC=O)c2O)C(=O)O[C@@H](C)[C@@H]1OC(=O)CC(C)C\n",
      "COc1cccc(-c2ccc3ncnc(NCc4ccc5c(c4)OCO5)c3c2)c1\n",
      "C[C@@H]1NC(=O)NC1=O\n",
      "O=C(NCCCCCCNC(=O)ON=C1CCCCC1)ON=C1CCCCC1\n",
      "COCc1cc(O)c(O)c(O)c1-c1c(COC)cc(O)c(O)c1O\n",
      "Cc1ccc(NC(=O)Cn2sc3ccccc3c2=O)cc1\n",
      "c1ccc2cc(C3=NCCN3)ncc2c1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(F)cc2)Oc2ncc(-c3ccccc3F)cc2C1=O\n",
      "CCCNC(=O)N1C[C@@H](O)COC[C@@H]2O[C@@H](CC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)CC[C@H]21\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C1=O\n",
      "CC(C)NC(=O)N(C)C[C@H]1OCCCC[C@H](C)Oc2ccc(NC(=O)Cc3ccccc3)cc2C(=O)N([C@@H](C)CO)C[C@H]1C\n",
      "CN(C)CC(=O)NC[C@H]1N[C@@H](CO)[C@H]1c1ccc(-c2cccc(C#N)c2)cc1\n",
      "Cc1ccc(C(=CCN2CCCC2)c2ccccn2)cc1\n",
      "C[C@H]1CCCCO[C@H](CN(C)C(=O)Nc2ccc3c(c2)OCO3)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2O1\n",
      "C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)Cc1ccccc1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C)OCCCC[C@@H](C)Oc2ccc(NC(=O)c3ccncc3)cc2C1=O\n",
      "Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=S)NC(=O)Cc5ccccc5)cc4F)c3s2)c1\n",
      "COC(=O)CCc1[nH]c2ccccc2c1Sc1ccccc1\n",
      "CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]\n",
      "O=C(OCC#CCSc1nnc(-c2ccco2)o1)c1ccc(F)cc1\n",
      "CN(C)CCN1C(=O)c2cccc3cc(N)cc(c23)C1=O\n",
      "CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(C3=CCCCC3)cnc2O[C@H]1CN(C)Cc1cccc(F)c1\n",
      "C/C=C/C#CC#C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCO\n",
      "OCCOCCN1CCN(Cc2cccc(Oc3ccccc3)c2)CC1\n",
      "COC(=O)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H](C(=O)OC)N2C(=O)CCl)cc1\n",
      "C=C1/C(=C\\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@@H](O)C2CC2)C[C@@H](O)C[C@@H]1O\n",
      "O=C(COC(=O)CNC(=O)C1CCCCC1)Nc1cc(C(F)(F)F)ccc1Cl\n",
      "OC[C@H]1[C@H](c2ccc(Br)cc2)[C@@H]2CN(Cc3ccccn3)CCCCN12\n",
      "O=c1cc(-c2ccccc2)oc2cc(O)ccc12\n",
      "CCCNC(=O)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#Cc4cccc(OC)c4)cc3)[C@@H]2C1\n",
      "Cc1nnc(N=c2ssnc2Cl)o1\n",
      "CCC(C)(C)NC(=NC#N)Nc1cccnc1\n",
      "COc1cc(-c2ccc(/N=N/c3ccc4c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c4c3O)c(OC)c2)ccc1/N=N/c1ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c2c1O\n",
      "CCOc1ccc(CCNC(=O)c2cc3sccc3n2Cc2ccccc2)cc1OCC\n",
      "Cc1noc(NS(=O)(=O)c2cccc3c(N(C)C)cccc23)c1C\n",
      "CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C\n",
      "Nc1ccc(C(=O)Nc2ccc(C(=O)O)cc2N)cc1\n",
      "CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)N1CCN(c2ccccc2)CC1\n",
      "Nc1c(Br)cc(Br)cc1CN[C@H]1CC[C@H](O)CC1\n",
      "CC(C)(C)[S@](=O)N1Cc2cc(C(=O)NCc3ccncc3)nc(-c3cccc(-c4ccc(C#N)cc4)c3)c2[C@@H]1CCO\n",
      "COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)OCCCC[C@@H](C)O3)cc1\n",
      "COc1cccc(-c2csc3ncnc(Sc4nnnn4C)c23)c1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NS(=O)(=O)c3cccs3)c2O[C@H]1CN(C)S(=O)(=O)c1ccc(Cl)cc1\n",
      "CC[N+](CC)(CC)CC(=O)Nc1c(C)cccc1C\n",
      "CC(C)/N=c1\\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O[C@H](C)CCCCO[C@@H]1CN(C)Cc1ccc(C(F)(F)F)cc1\n",
      "COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CN(C(=O)Nc2ccc(F)cc2F)C1\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "O=C(COc1ccccc1Br)NCCc1nc2ccccc2[nH]1\n",
      "C[C@H]1CCCCO[C@H](CN(C)C(=O)Nc2cccc3ccccc23)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O1\n",
      "CCCCCn1c(SCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C\n",
      "CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21\n",
      "S=C=NCCc1ccccc1\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)Cc1ccccc1)OCCCC[C@@H](C)O2\n",
      "O=c1cnn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1\n",
      "C[C@@H](N)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1\n",
      "CNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccc(C(F)(F)F)cc2)O1\n",
      "CCOc1ccc2c(c1)C(C)=CC(C)(C)N2\n",
      "N=C(N)N/N=C\\c1c(Cl)cccc1Cl\n",
      "Cc1cn[nH]c1\n",
      "CCCN(C)C[C@@H]1Oc2cc(-c3cccc(C#N)c3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C\n",
      "O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2cccc(C(F)(F)F)c2)O1)NCc1ccc(Cl)cc1\n",
      "CNC(=O)c1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C2(C)C)cc1F\n",
      "Cc1nc2ccccn2c1P(=S)(c1ccccc1)c1ccccc1\n",
      "C[C@H]1CCCCO[C@H](CN(C)C(=O)Nc2cccc3ccccc23)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(N(C)C)ccc2O1\n",
      "C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)C(=O)C1CC1\n",
      "CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc1ccccc1\n",
      "O=C(/C=C/c1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO\n",
      "COc1ccc(C2(c3cccc(O)c3OC)CCN(C(C)=O)CC2)cc1O\n",
      "O=C(O)c1ccc(-c2cccc(-c3nn4c(=O)cc(N5CCNCC5)nc4s3)c2)cc1\n",
      "CCCNC(=O)N1CC2(C1)CN(Cc1cccc(OC)c1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12\n",
      "Cc1cc(CCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)N[C@H](C)c2ccccc2)C(C)(C)C)ccc1-c1ccccc1\n",
      "NC(=O)C1CCN(c2nc(-c3ccc(Br)cc3)cs2)CC1\n",
      "CCN(CC)S(=O)(=O)c1cccc2cc(C(=O)O)c(O)cc12\n",
      "COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)Cc2ccccc2)OCCCC[C@H](C)O3)cc1\n",
      "CN(C)CCN(Cc1ccccc1)c1ccccn1\n",
      "Cc1csc(CNc2ncnc3ccc(-c4ccoc4)cc23)c1\n",
      "O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1\n",
      "CN(C)c1ccc2c(c1)[C@H]1C[C@H](CC(=O)NCc3ccc(Oc4ccccc4)cc3)O[C@H](CO)[C@H]1O2\n",
      "CC(C)NC(=O)N(C)C[C@@H]1OCCCC[C@@H](C)Oc2ccc(NC(=O)CCC(F)(F)F)cc2C(=O)N([C@H](C)CO)C[C@@H]1C\n",
      "C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(C#N)cc3)cc2O[C@@H]1CN(C)Cc1cccc(F)c1\n",
      "Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21\n",
      "CN1C[C@H](O)COC[C@H]2O[C@H](CC(=O)NC3CCC3)CC[C@@H]21\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCCN(C)C)ccc2O[C@H](C)CCCCO[C@H]1CN(C)S(=O)(=O)c1ccccc1\n",
      "COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1nccs1)CC31CCN(C(=O)C2CCCC2)CC1\n",
      "C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)Cc1cncnc1\n",
      "O=C(C[C@H]1CC[C@@H](NC(=O)C2CC2)[C@H](CO)O1)Nc1ccccc1\n",
      "CN[C@H]1CC[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc21\n",
      "C/C=C/C(=O)N(CC)c1ccccc1C\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2O[C@@H]1CN(C)Cc1ccc(C(F)(F)F)cc1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(C3=CCCCC3)cnc2O[C@@H]1CN(C)Cc1cccc(F)c1\n",
      "C[C@@H]1CCCCO[C@H](CN(C)Cc2ccc3c(c2)OCO3)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(N(C)C)ccc2O1\n",
      "COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1\n",
      "COc1ccc(OC)c(-c2nnc3n2N=C(c2ccc(OC)c(OC4CCCC4)c2)CS3)c1\n",
      "COc1cc(OC)cc(-c2ccc3ncc4ccc(=O)n(-c5ccc(N6CCNCC6)c(C(F)(F)F)c5)c4c3c2)c1\n",
      "COc1ccc(CN2C(=O)[C@@H]3Cc4c([nH]c5ccccc45)C(C)(C)N3C2=O)cc1\n",
      "N=C(N)NC(=N)N1CCOCC1\n",
      "CCCN(C)C[C@H]1OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C\n",
      "O=C(OCCN1CCOCC1)C1(c2ccccc2)CCCCC1\n",
      "COc1ccc2nc3c(cc2c1)c(NC(=O)CC(C)C)nn3CC(C)C\n",
      "Cc1ccc(S(=O)(=O)N(C)C[C@H]2OCCCC[C@@H](C)Oc3ccc(NC(=O)Nc4ccccc4)cc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1\n",
      "c1ccc(CNc2nc(N3CCc4ccccc43)nc3ccccc23)cc1\n",
      "Cc1cccc(CN(C)C[C@@H]2Oc3ncc(C#CCN(C)C)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)c1\n",
      "COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)c1cccnc1)CC31CN(Cc2ccccc2)C1\n",
      "CCN(CC)CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC\n",
      "C[C@H]1CCCCO[C@H](CN(C)C(=O)CCCN(C)C)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O1\n",
      "Cc1cccc(CNc2ncnc3ccc(-c4ccoc4)cc23)c1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(C3=CCCC3)cnc2O[C@H]1CN(C)Cc1ccccc1F\n",
      "O=C(O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1\n",
      "CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O\n",
      "COc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1\n",
      "CCn1cnc2c(NCCc3cccnc3)nc(C#N)nc21\n",
      "CC(=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O\n",
      "O=S(=O)(N[C@@H]1CCCC[C@@H]1N1CCOCC1)c1ccc(Cl)cc1\n",
      "NCC(=O)CCC(=O)O\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2ccccc2-c2ccccc2CO[C@@H]1CN(C)C(=O)Nc1ccnc(N2CCOCC2)c1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)Nc3ccccc3)c2O[C@H]1CN(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1\n",
      "CCC(=O)N1CC2(C1)CN(Cc1ccccc1Cl)[C@H](CO)c1[nH]c3cc(OC)ccc3c12\n",
      "C1CCc2nnnn2CC1\n",
      "C[C@H]1CCCCO[C@@H](CN(C)S(=O)(=O)c2ccccc2)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2O[C@H](C)CCCCO[C@H]1CN(C)C(=O)CCC(F)(F)F\n",
      "CC(C)CCCCC(=O)N[C@H](CCN)C(=O)N[C@H](C(=O)N[C@H](CCN)C(=O)N[C@@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](C(C)C)CNC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O[C@@H]1CN(C)S(=O)(=O)c1ccccc1\n",
      "Cc1c(-c2ccccc2)[n+]([O-])c(-c2ccc(Br)cc2)c(C)[n+]1[O-]\n",
      "CN1C[C@H]2c3ccccc3Oc3ccc(Cl)cc3[C@@H]2C1\n",
      "OC[C@H]1[C@H](c2ccc(-c3cccnc3)cc2)[C@H]2CN(CC3CCOCC3)CCCCN21\n",
      "C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)Cc1ccccc1\n",
      "CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C\n",
      "Cc1cc2ncc(-c3ccccc3)nc2cc1C\n",
      "COc1ccc(-c2ccncc2)cc1OC\n",
      "O=C1CN=C(c2ccccc2)c2cc([N+](=O)[O-])ccc2N1\n",
      "C[C@]12CC[C@@H]3C(=CCc4cc(O)ccc43)[C@H]1CCC2=O\n",
      "Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C[C@@H]1O\n",
      "CO[C@@H](CN(C)C(=O)C1CC1)[C@H](C)CN(C(=O)Nc1ccc(C(F)(F)F)cc1)[C@@H](C)CO\n",
      "Cc1cc(C(=O)Nc2ccc3c(c2)C(=O)N(C)[C@@H]2CC[C@H](CC(=O)N[C@H](C)c4ccccc4)O[C@H]2CO3)no1\n",
      "N#Cc1cccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1\n",
      "CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(Cc5cccnc5)C[C@H]34)cc2)c1\n",
      "O=C(CCNS(=O)(=O)c1cccc2nsnc12)N1CCN(c2ccncc2)CC1\n",
      "CN1C[C@@H](c2ccccc2)NC(=O)CC/C=C/C[C@@H](CC(=O)NCc2ccc(Cl)cc2)C1=O\n",
      "Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(=O)C1CCCCC1)OCCCC[C@@H](C)O2\n",
      "COc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)Nc2ccccc2)O3)cc1\n",
      "C[C@H]1CCCCO[C@@H](CN(C)C(=O)Nc2cccc3ccccc23)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O1\n",
      "O=C(CCl)N(CCCNC(=O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1\n",
      "NC(=O)C[C@H](NC(=O)Cc1ccc(O)cc1O)C(=O)O\n",
      "CCOP(=O)(OCC)c1ccc2c(c1)C(=O)c1ccccc1-2\n",
      "Cc1cc2c(cc1S(N)(=O)=O)S(=O)(=O)CCC2\n",
      "COCCCNC(=O)[C@@]1(Cc2ccccc2)COC(c2ccc(OCCCO)cc2)=N1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O[C@H]1CN(C)Cc1ccc(-c2ccccc2)cc1\n",
      "Cc1ccccc1S(=O)(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#CCN(C)C)cc3)[C@@H]2C1\n",
      "Nc1ccc(-c2nc3ccc(-c4nc5ccc(N)cc5[nH]4)cc3[nH]2)cc1\n",
      "CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCNC(C)=O)C(=O)N[C@]1(C)CCC/C=C\\CCC[C@](C)(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC1=O\n",
      "Clc1cccc(-c2ccc3ncnc(NCc4cccs4)c3c2)c1\n",
      "COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#CCC(C(=O)OC)C(=O)OC)ccc31)[C@H](c1ccccc1OCCO)N1[C@H](c3ccccc3)[C@H](c3ccccc3)OC(=O)[C@H]1[C@@H]2C(=O)N1CCN(c2ncccn2)CC1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)CCC(F)(F)F)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O\n",
      "O=c1cc(-c2ccc(O)c(O)c2)oc2c(O)c(O)ccc12\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O[C@H]1CN(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1\n",
      "COCCN(C[C@@H]1N[C@@H](CO)[C@H]1c1ccc(-c2cccnc2)cc1)C(C)=O\n",
      "O=C(NNC(=O)c1csc(-c2cccs2)n1)c1ccc(Cl)cc1\n",
      "CC(C)Oc1ccc(Cl)cc1Nc1nc(NCCO)nc(N2CCCC2)n1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)Cc3cn(C)c4ccccc34)ccc2O[C@@H]1CN(C)CC1CC1\n",
      "COc1ccc2nc(Nc3nc(C)c(CCC(C)C)c(=O)[nH]3)nc(C)c2c1\n",
      "O=C1CC/C=C/CN(Cc2ccc(Cl)cc2)C(=O)OC[C@@H](c2ccccc2)N1\n",
      "O=C(/C=C/c1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1\n",
      "CN(C)CC#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(CC4CC4)C[C@@H]23)cc1\n",
      "CN(C)CC#Cc1ccc([C@@H]2[C@H]3CN(CC4CCOCC4)CCCCN3[C@H]2CO)cc1\n",
      "CCOc1ccc(Oc2c(Cl)cnn(-c3ccc(C)cc3)c2=O)cc1\n",
      "CCN[C@@H](C)Cc1cccc(C(F)(F)F)c1\n",
      "O=C(NCCO)c1ccc(N2C(=O)c3ccccc3C2=O)cc1\n",
      "CON=C(C(=O)N[C@H]1C(=O)N2C(C(=O)O)=C(C[N+]3(C)CCCC3)CS[C@H]12)c1csc(N)n1\n",
      "O=C(OCC#CCSc1nnc(-c2cccc3ccccc23)o1)c1cc(F)c(F)c(F)c1\n",
      "CCCCn1c(CN2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)n(C)c(=O)n2C\n",
      "Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O\n",
      "O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2cccnc2)O1)NCc1ccc(Cl)cc1\n",
      "CCCOc1ccc(-c2nc(OC)c3ccccc3n2)cc1\n",
      "CC1(C)O[C@@H]2C[C@H]3[C@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1\n",
      "Cc1cc([C@@H](C)Nc2ccccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1\n",
      "C[C@@H]1CCCCO[C@@H](CN(C)CC2CCCCC2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(C)(=O)=O)ccc2O1\n",
      "CN(C)CC#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(C(=O)C4CC4)C[C@@H]23)cc1\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "C[C@@H]1CN([C@H](C)CO)C(=O)Cc2cc(NS(C)(=O)=O)ccc2O[C@H]1CN(C)Cc1ccc(Cl)c(Cl)c1\n",
      "O=C(N1CCC(n2nc(-c3ccccc3)oc2=O)CC1)C1(c2ccccc2)CC1\n",
      "Cn1c(=O)cc(OCCCC(=O)Nc2cc(Br)ccn2)c2ccccc21\n",
      "COc1ccccc1NC(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3cccc(C#N)c3)cc1)[C@@H]2CO\n",
      "CCOC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12\n",
      "C[C@H]1CCCCO[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2O1\n",
      "C[C@]12N[C@H](Cc3ccccc31)c1ccccc12\n",
      "CN(C)c1cccc(-c2cnc(N3CCC(C(N)=O)CC3)nc2)c1\n",
      "CC1=C2C[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C\n",
      "CCCN1CCC2(CC1)CN(Cc1ccccc1OC)[C@H](CO)c1c2c2ccc(OC)cc2n1C\n",
      "COc1ccc(/C=N/NC(=O)c2ccccn2)c(O)c1\n",
      "Cc1nc(N2CCN(C(=O)C3CCCCC3)CC2)c2c3c(sc2n1)CCCC3\n",
      "c1coc(CCNc2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)c1\n",
      "Cc1csc(NC(=O)c2ccc(COc3cccc(Cl)c3)o2)n1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)S(=O)(=O)c2cccs2)Oc2ccc(N(C)C)cc2CC1=O\n",
      "O=S(=O)(c1ccc2c(c1)OCCO2)N1CCCN(S(=O)(=O)c2c(F)cccc2F)CC1\n",
      "CCCC(=O)Nc1cccc(NC(=O)c2ccccc2Br)c1\n",
      "COc1ccc(C(=O)c2ccccc2)c(O)c1\n",
      "CC(=O)N[C@@H](CS)C(=O)O\n",
      "CN(C)CC/C=C1\\c2ccccc2Sc2ccc(Cl)cc21\n",
      "Cc1[nH]c(/C=C2/C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1\n",
      "CS(=O)(=O)c1ccc(C(=O)OCC#CCSc2nnc(-c3cccc4ccccc34)o2)cc1\n",
      "C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@@H]1CN(C)Cc1ccccc1F\n",
      "COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCN(CCCOc2ccc(F)cc2)C[C@H]1OC\n",
      "Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21\n",
      "COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccncc1)CC31CN(CC2CCOCC2)C1\n",
      "COc1ccc2cc([C@H](C)C(=O)O)ccc2c1\n",
      "Cc1ccc(S(=O)(=O)N(C)C[C@@H]2OCCCC[C@H](C)Oc3ccc(NC(=O)Nc4ccccc4)cc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1\n",
      "CN(Cc1cccs1)c1ncnc2ccc(-c3ccc4c(c3)OCO4)cc12\n",
      "COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccncc1)CC31CCN(C(=O)Cc2ccncc2)CC1\n",
      "CCOC(=O)c1ccc(OC(=O)CCCCCNC(=N)N)cc1\n",
      "C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)CC1CCOCC1\n",
      "CCCn1cnc2c1c(=O)n(CCCCC(C)=O)c(=O)n2C\n",
      "COc1cccc(NC(=O)C=Cc2ccc(Cl)cc2)c1\n",
      "O=C1N(c2ccccc2)c2ccccc2C1(Cc1ccncc1)Cc1ccncc1\n",
      "COCC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1\n",
      "Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1\n",
      "Cc1c(C(=O)NN2CCOCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(I)cc1\n",
      "CC1(C)c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)N21\n",
      "CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1\n",
      "COC(=O)c1c(O)ccc2oc3cc(CO)cc(O)c3c(=O)c12\n",
      "CC(C)(C)c1cc(/C=C(\\C#N)C(N)=S)cc(C(C)(C)C)c1O\n",
      "CCc1nccn1CC(=O)c1ccc(O)c(O)c1\n",
      "CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3F)ccc2OC[C@H](C)N(C(C)=O)C[C@H]1C\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)CCN3CCOCC3)cc2CC1=O\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)Cc1ccc2c(c1)OCCO2\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)Cc1ccc2c(c1)OCCO2\n",
      "O=C(/C=C/C=C/c1ccc2c(c1)OCO2)N1CCCCC1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(C3=CCCC3)cnc2O[C@H]1CN(C)Cc1ccccc1F\n",
      "CCCN(C)C[C@@H]1Oc2cc(C3=CCCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C\n",
      "O=C(c1ccccc1Cl)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccc(Br)cc1\n",
      "C[C@H]1CCCCO[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2O1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2O[C@H](C)CCCCO[C@@H]1CN(C)S(=O)(=O)c1ccc(F)cc1\n",
      "COc1ccc(CCN)cc1OC\n",
      "CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)O\n",
      "c1ccc2c(c1)Nc1ccccc1S2\n",
      "C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12\n",
      "O=c1cc(-c2ccccc2O)oc2cc(O)ccc12\n",
      "CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1\n",
      "O=C(O)c1c(Br)c(Br)c(Br)c(Br)c1-c1c2ccc(=O)cc-2oc2cc(O)ccc12\n",
      "Cc1c(C(=O)N(C)C2CCCCC2)sc2nc3ccc(N)cc3n12\n",
      "N#Cc1cccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(C(=O)Cc5cccnc5)C[C@@H]34)cc2)c1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(C3=CCCCC3)cnc2O[C@H]1CN(C)Cc1ccccc1\n",
      "c1ccc(OC2CCN(c3ncnc4sccc34)CC2)cc1\n",
      "CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C\n",
      "COc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3c(NS(=O)(=O)c4ccc(Cl)cc4)cccc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1\n",
      "COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CCN(Cc2ccccc2Cl)CC1\n",
      "O=C(O)CCc1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12\n",
      "CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(N)=O)[C@H](O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1\n",
      "CC(C)(C)OC(=O)NC1CCN(c2nc(-c3ccc(Br)cc3)cs2)CC1\n",
      "CSc1sc(C(=O)O)c2c1C(=O)CC(C)(C)C2\n",
      "O=C(NO)c1ccccc1\n",
      "Cc1nc2ccccc2n1CC(=O)c1ccc(O)c(O)c1\n",
      "Fc1ccc2[nH]c(COCc3nc4cc(F)ccc4[nH]3)nc2c1\n",
      "COc1ccc(NC(=O)N(C)C[C@H]2Oc3ccc(N(C)C)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1\n",
      "Nc1nc2ccccc2n1S(=O)(=O)c1ccccc1\n",
      "C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21CC\n",
      "CN1CC[C@]23c4ccccc4N[C@H]1[C@]21CCN(C)[C@H]3Nc2ccccc21\n",
      "Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)CC(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc1ccc(C(F)(F)F)cc1)O2\n",
      "CC(C)(ON=C(C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(C[n+]3ccccc3)CS[C@H]12)c1csc(N)n1)C(=O)O\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O[C@H](C)CCCCO[C@@H]1CN(C)CC1CCCCC1\n",
      "C=C1[C@H]2CC[C@@H]3[C@]4(C)C[C@H](O[C@H]5O[C@H](CO)[C@@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]5OC(=O)CC(C)C)C[C@@H](C(=O)O)[C@@H]4CC[C@]3(C2)[C@H]1O\n",
      "N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O\n",
      "Cc1cc2nc(NCCCO)n(CC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2cc1C\n",
      "C[C@H]1CCCCO[C@@H](CN(C)CC2CC2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2O1\n",
      "O=C(COc1ccc(Cl)cc1)Nc1ccc(O)c(-c2nc3ccccc3o2)c1\n",
      "Nc1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1\n",
      "CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1\n",
      "CC[N+](C)(CC)CC(=O)Nc1c(C)cccc1C\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(N(C)C)ccc2O[C@@H]1CN(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1\n",
      "CC(C)(C)NC(=O)c1ccc2c3c(onc13)-c1ccccc1C2=O\n",
      "CCCN(C)C[C@H]1OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2C(=O)N([C@H](C)CO)C[C@H]1C\n",
      "O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cccc(C(F)(F)F)c2)O1)NCc1ccc(F)cc1\n",
      "CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C\n",
      "Cc1ccsc1C(=CCCN1CCC[C@@H](C(=O)O)C1)c1sccc1C\n",
      "O=C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1\n",
      "N#C/C(=C\\c1ccc(O)c(O)c1)C(N)=O\n",
      "CC(=O)Nc1ccccc1Nc1nc(NCCO)nc(N2CCCC2)n1\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)C)OCCCC[C@H](C)O2\n",
      "COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CN(Cc2ccccn2)C1\n",
      "O=C(OCC#CCSc1nnc(-c2cccc3ccccc23)o1)c1ccc(OC(F)(F)F)cc1\n",
      "c1cc(NCCc2c[nH]c3ccccc23)cc(Nc2ccncc2)c1\n",
      "Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(F)c3)c3ccccc23)no1\n",
      "CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1\n",
      "O=C(O)c1cccnc1\n",
      "O=C(C1CCCC1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2cncnc2)cc1\n",
      "CN([N+][O-])c1cc(O)ccc1O\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)c2O[C@H]1CN(C)S(=O)(=O)c1ccc(Cl)cc1\n",
      "COC(=O)c1csc(C(=O)c2c[nH]c3ccccc23)n1\n",
      "Cc1cccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4)cc2)c1\n",
      "NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1\n",
      "C[C@H]1CCCCO[C@H](CN(C)CC2CC2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3cccc4ccccc34)ccc2O1\n",
      "COCCNC(=O)c1cc2c(c(-c3cccc(-c4cccc(F)c4)c3)n1)[C@H](CCO)N([S@@](=O)C(C)(C)C)C2\n",
      "COc1ccc(-c2ccc([C@@H]3[C@H]4CN(Cc5cccc(OC)c5)C[C@@H]3N4)cc2)cc1\n",
      "N#Cc1cccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(C(=O)Cc5ccccc5)C[C@@H]34)cc2)c1\n",
      "Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)NC(C)(C)C\n",
      "OCc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1\n",
      "CN(C)c1ccc(C=C2C(=O)Nc3ccccc32)cc1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)CCCN(C)C)ccc2O[C@@H]1CN(C)Cc1ccc(C(=O)O)cc1\n",
      "COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC\n",
      "CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@H]21\n",
      "CCCNC(=O)N1CC2(C1)CN(C(=O)Nc1ccc(F)cc1)[C@H](CO)c1[nH]c3cc(OC)ccc3c12\n",
      "C[C@H]1CCCCO[C@@H](CN(C)S(=O)(=O)c2ccc(F)cc2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2O1\n",
      "CN(CC#CCN1CCCC1)C(=O)c1cccc(Cl)c1\n",
      "CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(Cl)cc32)c1C\n",
      "COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CCN(Cc2ccccc2F)CC1\n",
      "O=C(C[C@@H]1CC[C@H]2NC[C@H](O)COC[C@@H]2O1)N1CCc2ccccc2C1\n",
      "O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2CCC(F)(F)F)O1)NCC1CCCCC1\n",
      "C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl\n",
      "C[C@H]1CCCCO[C@H](CN(C)CC2CCCCC2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(N(C)C)ccc2O1\n",
      "COc1cc(O)c(CC=C(C)C)cc1C(=O)/C=C/c1ccc(O)c(CC=C(C)C)c1\n",
      "Cc1cccc(C#Cc2ccccc2)n1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(C3=CCCCC3)cnc2O[C@@H]1CN(C)Cc1ccccc1F\n",
      "O=S(=O)(c1cccc(Br)c1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1\n",
      "COc1ccc(C#Cc2cnc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)CC2CC2)O3)cc1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)c3ccncc3)c2O[C@@H]1CN(C)Cc1ccccc1\n",
      "CNCCCN1c2ccccc2CCc2ccccc21\n",
      "CCCN1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21\n",
      "O=C(/C=C/c1ccc(-c2ccccc2)cc1)NC1=NCCS1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)CCC(F)(F)F)cc2CC1=O\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "CCCN(C)C[C@@H]1Oc2cc(-c3ccc(F)cc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C\n",
      "O=C1CNC[C@H]2[C@@H](c3ccc(Br)cc3)[C@H](CO)N12\n",
      "COC(=O)C(CC#Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](c2ccccc2OCCO)N2[C@H](c3ccccc3)[C@H](c3ccccc3)OC(=O)[C@H]2[C@@H]1C(=O)N1CCCCCCC1)C(=O)OC\n",
      "CO[C@H]1CC[C@H]2CCOc3c(C#N)cccc3C(=O)N(C)[C@H](C)C(=O)N(C)C[C@@H]1O2\n",
      "CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1\n",
      "Oc1c(CN2CCCCC2)cc(COCc2ccccc2)c2cccnc12\n",
      "CCSc1nnc(NC(=O)c2nc(S(=O)(=O)Cc3ccc(F)cc3)ncc2Cl)s1\n",
      "CCN(CC)CCOC(=O)C(c1ccccc1)c1ccccc1\n",
      "COc1ccc(C(=O)O[C@H]2CC[C@@]3(C)[C@@H]4CC[C@@H]5[C@@]3(C[C@@]3(O)[C@@H]6CN7C[C@@H](C)CC[C@H]7[C@@](C)(O)[C@@]6(O)[C@@H](O)C[C@@]53O)O[C@]24O)cc1OC\n",
      "C=CCN1CCc2c(cc(O)c(O)c2Br)[C@@H](c2ccccc2)C1\n",
      "Cc1ccc(NS(=O)(=O)c2cc3c(cc2Br)NC(=O)CO3)cc1C\n",
      "C[C@@H]1CCCCO[C@H](CN(C)C(=O)Nc2ccc(F)cc2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2O1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)S(C)(=O)=O)OCCCC[C@@H](C)Oc2ccc(NC(=O)c3ccncc3)cc2C1=O\n",
      "CCCCC/C=C/C=C1/C(=O)C=C[C@@H]1C/C=C/CCCC(=O)O\n",
      "CC(C)C#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc1cccc(F)c1)O2\n",
      "CCCN(C)C[C@@H]1Oc2ncc(-c3ccccc3OC)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C\n",
      "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cccc2ncccc12)C(C)C\n",
      "COC(=O)[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1\n",
      "COc1ccc(NC(=O)N(C)C[C@H]2OCCCC[C@@H](C)Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1\n",
      "O=S(=O)(c1ccc(F)cc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1ccc2c(c1)OCO2\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(N(C)C)ccc2O[C@H]1CN(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1\n",
      "O=C1CCc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2N1\n",
      "OC(c1ccccc1)(c1ccccc1)C1CCN(CCCOc2ccc(F)cc2)CC1\n",
      "COc1ccc([Si](C)(C)[C@H]2[C@H](CCn3cc(CCO)nn3)O[C@@]3(C(=O)N(Cc4cccc(N5CCC5=O)c4)c4ccccc43)[C@@H]2C)cc1\n",
      "CCCN(CC1CC1)c1nc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1Cl\n",
      "COC(=O)CCCCCCC(=O)N/N=C/CCCC1OCC(C)(C)CO1\n",
      "CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1F\n",
      "CC(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1\n",
      "COC(=O)c1c(C)c2c(c(C)c1OC)OC(=O)c1c(C)c(Cl)c(OC)c(Cl)c1O2\n",
      "O=C(O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1\n",
      "Cc1ccc(NC(=O)CCC(=O)NN=Cc2ccco2)c(C)c1\n",
      "COC(=O)N1C(=O)[C@](CC(C)C)(c2ccccc2)N1C(=O)OC\n",
      "CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1\n",
      "O=c1ccc2ccc(O)c(O)c2o1\n",
      "O=C(Nc1cccc2cccnc12)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1\n",
      "O=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1ccccc1Br\n",
      "C[n+]1ccccc1C=NO\n",
      "CC(=O)O[C@H]1C[C@H]2CC[C@H]3[C@@H](CC[C@]4(C)[C@@H]3C[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@]2(C)C[C@@H]1N1CCCCC1\n",
      "O=C(c1cccc(S(=O)(=O)NC2CCCCCC2)c1)N1CCCc2ccccc21\n",
      "COc1ccc(NC(=O)N(C)C[C@@H]2OCCCC[C@@H](C)Oc3ccc(NC(=O)C4CCCCC4)cc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1\n",
      "COc1cc2c(cc1OC)[C@@H]1C(=O)c3ccc4c(c3O[C@@H]1CO2)C=CC(C)(C)O4\n",
      "COc1cc(CN2CCN(c3cc(C)ccc3C)CC2)ccc1O\n",
      "CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)nc(-c3cccc(-c4cccnc4)c3)c2[C@H]1CCO\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccncc2)Oc2ccc(NC(=O)Nc3cccc4ccccc34)cc2C1=O\n",
      "CC[Hg]Sc1ccccc1C(=O)O\n",
      "Cc1ccc2cc3c(ccc4ccccc43)c3c2c1CC3\n",
      "C[C@H](CC[C@@H]1OC1(C)C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C\n",
      "C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO\n",
      "C[C@H]1CCCCO[C@H](CN(C)C(=O)C2CCCCC2)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2O1\n",
      "COc1ccccc1NC(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)Cc3cn(C)c4ccccc34)ccc2O[C@@H]1CN(C)CC1CCCCC1\n",
      "COCC(=O)N(C[C@H]1N[C@H](CO)[C@@H]1c1ccc(C2=CCCCC2)cc1)C(C)C\n",
      "COc1ccc(CN(C)C[C@H]2OCCCC[C@@H](C)Oc3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1\n",
      "CN(C)c1nc(N)nc(CSc2nnnn2-c2ccccc2)n1\n",
      "O=C(OCC#CCSc1nnc(-c2cccc3ccccc23)o1)c1ccc(F)cc1\n",
      "CC1(C)C2=[N+]([O-])c3cc4nccnc4cc3C2=C[C@@]23NC(=O)[C@]4(CCCN4C2=O)C[C@@H]13\n",
      "Cc1ccc(CNc2nc(-c3ccccn3)nnc2-c2ccccc2)cc1\n",
      "Cn1nnnc1Sc1ncnc2scc(-c3ccccc3Br)c12\n",
      "COc1ccc(-c2cnc3c(-c4ccsc4)cnn3c2)cc1\n",
      "CCS(=O)(=O)N1CCC2(CC1)CN(S(=O)(=O)c1ccc(C)cc1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12\n",
      "COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)O3)cc1\n",
      "O=C(Cc1cccnc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C3=CCCCC3)cc1)[C@@H]2CO\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O[C@@H]1CN(C)Cc1ccc(Cl)c(Cl)c1\n",
      "CCOC(=O)/C=C\\n1nnc(-c2cccc(Cl)c2)n1\n",
      "CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3nccc(-c4cccnc4)n3)c2)cc1\n",
      "COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CN(Cc2nccs2)C1\n",
      "CC(C)Oc1cccc(-c2csc(N3CCC(C(N)=O)CC3)n2)c1\n",
      "CC1(C)c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)N21\n",
      "CNC(=O)c1cc2c(cn1)[nH]c1ccccc12\n",
      "COc1cccc(-c2cc3nc(-c4ccccc4)cc(N4CCN(C(=O)c5ccoc5)CC4)n3n2)c1\n",
      "O=C(O)c1cccnc1SCCc1ccccc1\n",
      "COc1cc(C)c(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)c(C)c1C\n",
      "C[C@H]1CCCCO[C@@H](CN(C)CC2CC2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2O1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2O[C@H](C)CCCCO[C@H]1CN(C)C(=O)CCC(F)(F)F\n",
      "CN1CCN(c2ccc3ccccc3n2)CC1\n",
      "C[C@H]1CCCCO[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3cccc4ccccc34)ccc2O1\n",
      "O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cccc(C(F)(F)F)c2)O1)NCc1ccccc1\n",
      "O=C(c1ccccc1)N1Cc2ccccc2C[C@]2(N=C(c3ccc(OCCCO)cc3)O[C@@H]2c2ccccc2)C1=O\n",
      "O=C1CN2Cc3c(ccc(Cl)c3Cl)N=C2N1\n",
      "c1nc(CCCC2CCNCC2)c[nH]1\n",
      "CC(C)OC(=O)c1cn(Cc2c(F)cccc2F)c2sc(-c3ccc(NC(=O)C(C)C)cc3)c(CN(C)Cc3ccccc3)c2c1=O\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc1ccc(-c3ccccc3)cc1)O2\n",
      "CCCN(C)C[C@H]1Oc2cc(-c3cccc(F)c3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C\n",
      "CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CN\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)S(=O)(=O)c1ccc(Cl)cc1)OCCCC[C@H](C)O2\n",
      "Cc1c(CCOC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)sc[n+]1CC#N\n",
      "CCC(=O)O[C@]1(C(=O)SCF)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C\n",
      "CCCC(=O)N1CCC2(CC1)CN[C@H](CO)c1c2c2ccc(OC)cc2n1C\n",
      "CCN(CC)c1ccc(C=NNC(=O)c2ccc(O)cc2)cc1\n",
      "COCC(=O)N(C[C@H]1N[C@H](CO)[C@H]1c1ccc(C2=CCCCC2)cc1)C(C)C\n",
      "Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1\n",
      "COc1cccc(-c2ccc([C@H]3[C@H]4CN(Cc5ccccn5)C[C@@H]3N4)cc2)c1\n",
      "CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2SCC4)CC1\n",
      "OC[C@@H]1[C@H](c2ccc(-c3cccnc3)cc2)[C@@H]2CN(CC3CC3)CCCCN12\n",
      "CCOC(=O)c1ccc(-n2cccc2/C=C2\\NC(=O)NC2=O)cc1\n",
      "O=C(CCl)N=c1sccn1Cc1ccccc1Cl\n",
      "CC(=O)c1ccccc1-c1csc2ncnc(Sc3nnnn3C)c12\n",
      "N#C[C@@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(=O)c1cccc(F)c1\n",
      "O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2ccccc2F)O1)NCc1ccc(Cl)c(Cl)c1\n",
      "CC1(C)c2[nH]c3ccccc3c2C[C@H]2C(=O)N(Cc3cccc(F)c3)C(=O)N21\n",
      "CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@H](CO)N4CCCCN(CCC(F)(F)F)C[C@@H]34)cc2)c1\n",
      "OC(c1ccccc1)(c1ccccc1)C1CCN(C(S)=Nc2ccc(Cl)cc2)CC1\n",
      "CC1(C)c2[nH]c3ccccc3c2C[C@H]2C(=O)N(Cc3ccccc3)C(=O)N21\n",
      "COc1cc2c(cc1O)[C@@H]1Cc3ccc(OC)c(O)c3CN1CC2\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O[C@H](C)CCCCO[C@@H]1CN(C)C(=O)CCCN(C)C\n",
      "COC(=O)c1ccc(COc2ccccc2/C=C/C(=O)c2ccc(OCC(=O)O)cc2)cc1\n",
      "CC(C)n1nc(Cc2cccc3ccccc23)c(C#N)c1N\n",
      "C[C@H]1CCCCO[C@H](CN(C)C(=O)Nc2cccc3ccccc23)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O1\n",
      "N=C(N)N/N=C/c1c(Cl)cccc1Cl\n",
      "NCC1(CC(=O)O)CCCCC1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)c2O[C@H]1CN(C)C(=O)NC1CCCCC1\n",
      "O=C(CCCCCC(=O)N/N=C/c1ccc(S(=O)(=O)O)o1)NO\n",
      "O=C1C(Nc2ccccc2)=CC(=O)c2ncccc21\n",
      "COc1cccc(-c2cc(=O)c3ccccc3o2)c1N\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(N(C)C)cc2CC1=O\n",
      "N#C[C@@H]1[C@H](c2ccc(C3=CCCCC3)cc2)[C@H](CO)N1C(=O)c1ccccn1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)c2ccc(F)cc2)Oc2cc(C3=CCCCC3)ccc2S1(=O)=O\n",
      "COc1ccc(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(OC)c1OC\n",
      "O=C(Cc1cccnc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C3=CCCC3)cc1)[C@@H]2CO\n",
      "O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccc(C(F)(F)F)cc2)O1)NCCc1ccccc1\n",
      "COc1cc(C2=CCN(C(C)=O)CC2)ccc1OC(C)=O\n",
      "COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(C)=O)CC31CN(S(=O)(=O)c2ccccc2)C1\n",
      "c1ccc(CNc2ncnc3nc[nH]c23)cc1\n",
      "CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)CO\n",
      "Cn1cncc1[C@@](N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O[C@H]1CN(C)S(=O)(=O)c1ccc(Cl)cc1\n",
      "COc1ccc([C@]2(C#N)CC[C@H](C(=O)O)CC2)cc1OC1CCCC1\n",
      "Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1\n",
      "C[C@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C\n",
      "O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccc3c(c2)OCO3)O1)Nc1ccc(-c2ccccc2)cc1\n",
      "CCCN(C)C[C@H]1OCCCC[C@H](C)Oc2ccc(NC(=O)CCC(F)(F)F)cc2C(=O)N([C@H](C)CO)C[C@@H]1C\n",
      "FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1\n",
      "CN1CCCN=C1C=Cc1cccs1\n",
      "CC(C)=CCC/C(C)=C/CC/C(C)=C/CSCC(=O)O\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)CCCN(C)C)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3cccs3)cc2C1=O\n",
      "O=S(=O)(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1cccc2ccccc12\n",
      "CCCCCOc1c(OC)ccc2cc(C(=O)NCc3ccc4c(c3)OCO4)c(=O)[nH]c12\n",
      "Cn1cnnc1Sc1c([N+](=O)[O-])ncn1C\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)NC2CCCCC2)Oc2ccc(N(C)C)cc2CC1=O\n",
      "COc1ccccc1-c1nc(-c2ccc(C(=O)O)cc2)no1\n",
      "C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CC3CCCC3)cc2O[C@@H]1CN(C)C(=O)Nc1cc(F)ccc1F\n",
      "C/C=C/c1ccc([C@H]2[C@H](CO)N3CCCCN(S(=O)(=O)c4ccc(OC)cc4)C[C@@H]23)cc1\n",
      "O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2CC2CCCCC2)O1)NCc1ccc(F)cc1\n",
      "CNCCC=C1c2ccccc2C=Cc2ccccc21\n",
      "COc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1\n",
      "COc1ccc2c(c1)Sc1ccc(Cl)cc1N2\n",
      "Cc1cccc(-c2ccc3ncnc(NCc4cccnc4)c3c2)c1\n",
      "Cn1cncc1[C@](N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(C3=CCCCC3)cnc2O[C@H]1CN(C)C(=O)Cc1ccncc1\n",
      "Cc1ccc2c(c1)c1nc3ccccc3nc1n2CCN1CCOCC1\n",
      "C[C@H]1CCCCO[C@H](CN(C)CC2CCCCC2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O1\n",
      "CC(C)Oc1ccc(-c2csc(N3CCC(C(N)=O)CC3)n2)cc1\n",
      "CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1\n",
      "CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)sc2c1CCC2\n",
      "COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CCN(Cc2ccc(-c3ccccn3)cc2)CC1\n",
      "C[C@@H]1CCCCO[C@@H](CN(C)C)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O1\n",
      "CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C\n",
      "CO[C@@H](CN(C)S(=O)(=O)c1ccc(F)cc1)[C@H](C)CN([C@H](C)CO)S(=O)(=O)c1cccc(Cl)c1\n",
      "COCC(=O)N1[C@@H](C#N)[C@@H](c2ccc(C3=CCCCC3)cc2)[C@@H]1CO\n",
      "Cc1cc(C)nc(NC(=S)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1\n",
      "C/C=C/c1ccc([C@H]2[C@H]3CNC[C@@H]2N3C(=O)Nc2ccccc2Cl)cc1\n",
      "O=C(Cn1sc2ccccc2c1=O)Nc1ccc(Cl)cc1\n",
      "CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O\n",
      "Fc1ccc2c(c1)c1nnc(SCCN3CCOCC3)nc1n2Cc1ccccc1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2O[C@H]1CN(C)Cc1ccc(C(F)(F)F)cc1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc34)cc2C1=O\n",
      "C[C@H]1CCCCO[C@H](CN(C)C(=O)Nc2ccccc2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2O1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)CCN3CCOCC3)ccc2O[C@H]1CN(C)Cc1ccc(-c2ccccc2)cc1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)NC2CCCCC2)Oc2ccc(NC(=O)C3CCCCC3)cc2C1=O\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O[C@@H]1CN(C)Cc1ccc(-c2ccccc2)cc1\n",
      "OC[C@H]1[C@@H](c2ccc(/C=C/c3ccccc3)cc2)[C@H]2CN(Cc3cccnc3)CCCCN21\n",
      "COc1cc(/C=C2\\Oc3cc(O)cc(O)c3C2=O)cc(OC)c1O\n",
      "COc1c2occc2cc2ccc(=O)oc12\n",
      "CC(C)N(C[C@H]1N[C@H](CO)[C@@H]1c1ccccc1)C(=O)CN1CCOCC1\n",
      "CN(C)CCOc1ccc(C(=C(CCCl)c2ccccc2)c2ccccc2)cc1\n",
      "C[C@@H](O)C#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(CC4CCOCC4)C[C@@H]23)cc1\n",
      "O=C(Nc1ccc2[nH]ccc2c1)c1cccs1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)[C@H]2CCCN2C)OCc2ccccc2-c2c(n(C)c3ccccc23)C1=O\n",
      "Cc1cc(C)c(/C=C2\\C(=O)Nc3ccccc32)[nH]1\n",
      "O=C(c1cccc(Cl)c1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1\n",
      "COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccnc(OCc3ncccn3)c2c(=O)n1Cc1ccnc(C)c1\n",
      "COc1ccc(C(=O)c2c(C)n(CCN3CCOCC3)c3cc(I)ccc23)cc1\n",
      "COc1ccc(CCNC(=O)[C@@]2(C)c3ccccc3C(=O)N(c3ccc(C)cn3)[C@H]2c2ccc(CO)cc2)cc1\n",
      "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O\n",
      "O=C(O)CN1C(=O)N/C(=C\\c2cccn2-c2ccc(P(=O)(O)O)cc2)C1=O\n",
      "COc1cccc(-c2ccc3ncnc(NCc4cccnc4)c3c2)c1\n",
      "COc1ccc(S(=O)(=O)N(C)CC(=O)O)cc1\n",
      "C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@]12O\n",
      "C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl\n",
      "CO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(N)=O)CS[C@H]12)c1ccco1\n",
      "CCCNC(=O)N1[C@H](CO)[C@H](c2ccc(C3=CCCCC3)cc2)[C@@H]1CNC(C)C\n",
      "COc1ccccc1NC(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4cccc(C#N)c4)cc3)[C@@H]2C1\n",
      "COc1ccccc1CNC(=O)C[C@H]1C=C[C@H](NC(=O)CN(C)C)[C@H](CO)O1\n",
      "CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21\n",
      "CC(C)=CCc1c(O[C@@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c1O[C@H](c1ccc(O)cc1)CC2=O\n",
      "COc1ccc(-c2csc(NC(=O)CSc3nnc4c(C)cc5ccccc5n34)n2)cc1\n",
      "Cc1cnc(C(=O)O)c[n+]1[O-]\n",
      "COc1c(C)c2c(c(O)c1C/C=C(\\C)CCC(=O)O)C(=O)OC2\n",
      "Oc1cccc2cc(-c3ccncc3)cnc12\n",
      "CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(O)ccc3nc2-1\n",
      "CC#CCOC(=O)C1=CCCN(C)C1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O[C@@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1\n",
      "CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NCc3ccc4c(c3)OCO4)nc(-c3cccc(-c4ccncc4)c3)c2[C@H]1CCO\n",
      "C[C@@H](NC(=O)C[C@H]1CC[C@H](NC(=O)c2cccnc2)[C@H](CO)O1)c1ccccc1\n",
      "COc1ccc(S(=O)(=O)N2C[C@H](O)COC[C@H]3O[C@@H](CC(=O)N[C@H]4CCN(Cc5ccccc5)C4)CC[C@@H]32)cc1\n",
      "O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)c1ccncc1)OCCCC[C@H](C)O2\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)CCC(F)(F)F)ccc2O[C@@H]1CN(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1\n",
      "S=C(NC1CCCCC1)N1CCC(c2c[nH]cn2)CC1\n",
      "COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CN(Cc2cc(-c3ccccc3)on2)C1\n",
      "O=C(O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21\n",
      "CO[C@H]1CN(C)C(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2OC[C@@H](C)N(C(=O)NC(C)C)C[C@@H]1C\n",
      "CC/C=C\\C/C=C\\C/C=C\\CCCCCCCCCC(=O)O\n",
      "O=C1NC(=O)/C(=C/c2ccc3c(c2)OC(F)(F)O3)S1\n",
      "O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1\n",
      "CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1\n",
      "COC(=O)c1cc(OC)c(=O)c2c(OC)c(OC)ccc2c1\n",
      "CCc1cnc(N2[C@H](C#N)[C@@H](c3ccc(C4=CCCCC4)cc3)[C@@H]2CO)s1\n",
      "CC(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1OC(=O)CC(C)C\n",
      "C[C@@H](NC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccc(C(F)(F)F)cc2)O1)c1ccccc1\n",
      "COc1cc(-c2nc3ccccc3s2)cc(Br)c1OCC(=O)O\n",
      "CCc1cccc(CC)c1NC(=O)CN(CC(=O)O)CC(=O)O\n",
      "COc1ccc(S(=O)(=O)N(C)C[C@@H]2Oc3c(NC(=O)NC4CCCCC4)cccc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1\n",
      "CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2\n",
      "CC(=O)Nc1ccc(C(=O)Nc2ccc(C)cc2N)cc1\n",
      "COc1ccc(CNC(=O)c2cc3c(c(-c4cccc(-c5ccc(C#N)cc5)c4)n2)[C@@H](CCO)N([S@](=O)C(C)(C)C)C3)cc1\n",
      "CCCCC/C=C\\C/C=C\\CCCCCCCC(N)=O\n",
      "COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1\n",
      "COc1ccc(S(=O)(=O)N(C)C[C@@H]2Oc3c(NC(=O)Nc4ccccc4)cccc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1\n",
      "C/C=C/c1ccc([C@@H]2[C@H]3CN(S(=O)(=O)c4ccc(OC)cc4)CCCCN3[C@H]2CO)cc1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O[C@H]1CN(C)Cc1ccc(Cl)c(Cl)c1\n",
      "C[C@@H]1CC(=O)NN=C1c1ccc(N)c([N+](=O)[O-])c1\n",
      "O=C(O)Cc1ccc(OCCNC[C@H](O)c2ccccc2)cc1\n",
      "COc1cccc(-c2cnc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc2ccc(F)cc2)O3)c1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccccc2F)Oc2ncc(C#CCN(C)C)cc2C1=O\n",
      "CC1=CC(=O)C2=C(C)C[C@H](O)[C@H]3[C@H](C)C(=O)O[C@@H]3[C@@H]12\n",
      "CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(C=Cc2cccc(C(=O)O)c2)c(Cl)c1\n",
      "COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CN(Cc2cc(F)ccc2F)C1\n",
      "CNC[C@@H]1Oc2cc(C#CCN(C)C)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C\n",
      "COc1ccc(S(=O)(=O)N(C)C[C@@H]2OCCCC[C@H](C)Oc3ccc(NS(=O)(=O)c4cn(C)cn4)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O[C@H]1CN(C)S(=O)(=O)c1ccccc1\n",
      "CCOc1ccccc1C(=O)Nc1cc(Cl)ccc1O\n",
      "O=C(OCC#CCSc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(F)cc1\n",
      "COc1ccc(NC(=O)c2cc(OCCCN(C)C)nn2Cc2ccccc2)cc1\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)CC1CC1)O2\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O\n",
      "CC(=O)OCCN1C(=O)c2c(C)nc3ccc(S(=O)(=O)N4CCOCC4)cc3c2C1=O\n",
      "COc1ccc(-c2[nH]nc3nc(N4CCN(C(=O)c5ccoc5)CC4)cc(C(F)(F)F)c23)cc1\n",
      "Cc1oc(N)c(S(=O)(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2)c1C\n",
      "c1cc(-c2sc(-c3ccncc3)c(-c3ccncc3)c2-c2ccncc2)ccn1\n",
      "Cc1cc(-n2c(=O)[nH]c(=O)n(C)c2=O)ccc1Oc1ccc(SC(F)(F)F)cc1\n",
      "Cc1cc(O)c2c3c4c(cc(O)c13)C(C)(C)C(=O)c1c(O)cc(O)c(c1-4)C2=O\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCCN(C)C)ccc2O[C@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1\n",
      "C=CCNC(=O)[C@@H]1[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@H](c2ccc(OCCO)cc2)[C@@]12C(=O)N(C(=O)OCCOC)c1ccc(C#CCC(C(=O)OC)C(=O)OC)cc12\n",
      "COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(CC1CC1)CC31CCN(C(=O)c2ccc3c(c2)OCO3)CC1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)Cc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2O[C@@H]1CN(C)Cc1ccc(C(F)(F)F)cc1\n",
      "CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCCN2C(=O)[C@H]([C@H](C)CC)NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC1=O\n",
      "O=C1CNC[C@H]2[C@@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H](CO)N12\n",
      "COc1ccc(S(=O)(=O)N(C)C[C@@H]2Oc3c(NC(=O)Nc4cccc5ccccc45)cccc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1\n",
      "OCc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)c3ccncc3)cc2C1=O\n",
      "C/C=C/c1ccc2c(c1)O[C@H](CN(C)CC1CCOCC1)[C@H](C)CN([C@H](C)CO)S2(=O)=O\n",
      "CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CCO\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "COc1ccc(CN(C)C[C@H]2OCCCC[C@@H](C)Oc3ccc(NS(=O)(=O)c4cccs4)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1\n",
      "O=C(O)c1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1\n",
      "O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2ccccc2)O1)NCCc1ccncc1\n",
      "COC1CCC(C(=O)c2ccc3nc4c(cc3c2)CCCO4)CC1\n",
      "COc1ccc(CN(C)C[C@H]2OCCCC[C@H](C)Oc3ccc(NC(=O)Nc4cccc5ccccc45)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1\n",
      "O=C(NCCCN1CCOCC1)c1sc2cc([N+](=O)[O-])ccc2c1Cl\n",
      "Clc1ccc2ncnc(NCc3ccc4c(c3)OCO4)c2c1\n",
      "Cc1noc(C)c1S(=O)(=O)N(C)C[C@@H]1Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C(=O)N([C@H](C)CO)C[C@@H]1C\n",
      "CCOC(=O)c1cnc2c(cnn2CC)c1NN=C(C)C\n",
      "CCc1ccc(-c2nc(CSCC(=O)NC3CC3)c(C)o2)cc1\n",
      "Nc1nc(N)c2nc(-c3cccc(O)c3)c(-c3cccc(O)c3)nc2n1\n",
      "CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C\n",
      "Cc1cc(N2CCN(C(=O)c3ccoc3)CC2)n2nc(-c3ccccc3)cc2n1\n",
      "Cc1ccc(CNc2ncnc3ccc(-c4ccc(CO)o4)cc23)o1\n",
      "COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C\n",
      "O=C(N[C@H]1CC[C@@H](CC(=O)N2CCOCC2)O[C@@H]1CO)c1ccccn1\n",
      "CC(C)(C)S(=O)(=O)/C(C#N)=C/c1cccn1S(=O)(=O)c1ccccc1\n",
      "Cc1ccc(C(=O)N(CCCN)[C@@H](c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1\n",
      "CCc1ccc2c(c1)c1nc3ccccc3nc1n2CC(=O)OC\n",
      "CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1\n",
      "O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2cccc(C(F)(F)F)c2)O1)NCCc1ccncc1\n",
      "NCCCCCC(=O)O\n",
      "CC[C@@H]1C(=O)O[C@@H]1[C@@H](C)C/C(C)=C/[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@H](C)CC\n",
      "Cc1ccc(NC(=O)CCC(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc1C\n",
      "O=C(CSc1nc2cccc(F)c2c(=O)n1-c1ccccc1)Nc1ccc2c(c1)CCC2\n",
      "COc1ccc(Cl)cc1NC(=S)NCCn1cc(Cl)cn1\n",
      "CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C\n",
      "C[C@H]1CCCCO[C@@H](CN(C)CC2CC2)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2O1\n",
      "Cn1c2ccccc2c2nnc(SCCN3CCCCC3)nc21\n",
      "COc1cccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)[C@H]2CC[C@H](CC(=O)Nc4ccc5c(c4)CCCC5)O[C@@H]2CO3)c1\n",
      "O=C(NC1CCCC1)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2cccnc2)cc1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Cc3cn(C)c4ccccc34)ccc2O[C@@H]1CN(C)Cc1ccc2c(c1)OCO2\n",
      "O=C(C[C@@H]1C/C=C/CCC(=O)O[C@H](c2ccccc2)CNC1=O)NCc1ccc(Cl)cc1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2O[C@H]1CN(C)Cc1ccc(Cl)c(Cl)c1\n",
      "COc1ccc2cc(CCC(C)=O)ccc2c1\n",
      "Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@@H](C)O2\n",
      "CC(C)(C)c1ccc(C(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)cc1\n",
      "CC[C@@H]1CN2CCc3cc(OC)c(OC)cc3[C@H]2C[C@H]1C[C@@H]1NCCc2cc(OC)c(OC)cc21\n",
      "COc1ccc(C2=Nn3c(nnc3-c3ccccc3Cl)SC2)cc1OCC1CC1\n",
      "COc1ccc(C#Cc2cnc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)CC2CCCC2)O3)cc1\n",
      "CCc1nc2sc3c(c2c(=O)n1NC(=O)CCl)CCCC3\n",
      "C=CC[C@@H]1/C=C(\\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC\n",
      "COc1cccc(-c2cc3nc(-c4ccco4)cc(N4CCN(C(C)=O)CC4)n3n2)c1\n",
      "Cc1ccc2c(c1)Cc1c(C(=O)NN3CCCCC3)nn(-c3ccc(Cl)cc3Cl)c1-2\n",
      "COCC(=O)N(C[C@@H]1N[C@@H](CO)[C@@H]1c1ccc(C2=CCCCC2)cc1)C(C)C\n",
      "O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2nccs2)O1)NCc1ccc(Oc2ccccc2)cc1\n",
      "CC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C\n",
      "COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#CCC(C(=O)OC)C(=O)OC)ccc31)[C@H](C(=O)N1CCN(c3ncccn3)CC1)[C@H]1C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N1[C@@H]2c1ccccc1OCCO\n",
      "C[C@H]1CCCCO[C@H](CN(C)Cc2ccc3c(c2)OCO3)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(N(C)C)ccc2O1\n",
      "Cc1ccc(-n2sc3cc(F)ccc3c2=O)c(C)c1\n",
      "CO[C@@H]1CC[C@H]2CCN(C)C(=O)[C@H](C)[C@@H](OC)CN(C)C(=O)c3cccc(C#N)c3OC[C@H]1O2\n",
      "CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](N)[C@H]2SC1\n",
      "c1ccc(-c2ccc(-c3cnc4n3CCCCC4)cc2)cc1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc3c(c2)OCO3)OCCCC[C@@H](C)Oc2ccc(N(C)C)cc2C1=O\n",
      "N[C@@H](Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1)C(=O)O\n",
      "CCCNC(C)(C)COC(=O)c1ccccc1\n",
      "CS(=O)(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1ccccn1\n",
      "C[C@H]1CCCCO[C@H](CN(C)S(=O)(=O)c2ccccc2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)CCCN(C)C)ccc2O1\n",
      "Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCn2cc(CN3C(=O)COC[C@H]3c3ccccc3)nn2)cc1\n",
      "CN1C[C@@H](O)COC[C@@H]2O[C@@H](CC(=O)NC3CCC3)CC[C@H]21\n",
      "COc1ccc(NC(=O)N(C)C[C@H]2OCCCC[C@H](C)Oc3ccc(NC(=O)C4CCCCC4)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1\n",
      "CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O\n",
      "CC(C)NC(=O)N(C)C[C@H]1OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3cn(C)cn3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C\n",
      "CS(=O)(=O)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CCC4CCCC4)cc3)[C@@H]2C1\n",
      "Nc1ccc(C(=O)NCC(=O)O)cc1\n",
      "COc1ccccc1CN1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2cccnc2)cc1\n",
      "C[C@H]1CCCCO[C@@H](CN(C)C(=O)CCCN(C)C)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2O1\n",
      "O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccc(C(F)(F)F)cc2)O1)N1CCc2ccccc2C1\n",
      "COc1ccc(-c2oc3c(CC=C(C)C)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c(=O)c2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc1\n",
      "Cc1ccccc1S(=O)(=O)N1C[C@H](O)COC[C@H]2O[C@@H](CC(=O)NCc3ccccc3Cl)CC[C@@H]21\n",
      "c1coc(CNc2ncnc3[nH]cnc23)c1\n",
      "CCNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4cc(C)on4)cc3C(=O)N2C)O1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(C#Cc3ccncc3)cnc2O[C@H]1CN(C)CC1CCCC1\n",
      "CC1(C)c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(c3cc(F)ccc3F)C(=O)N21\n",
      "CN(C)S(=O)(=O)c1cccc(-n2sc3ccccc3c2=O)c1\n",
      "Cc1c(P(=O)(c2ccccc2)c2ccccc2)c2ccccc2n1C\n",
      "CC(C)(CO)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1\n",
      "C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#CCN(C)C)cc2O[C@@H]1CN(C)Cc1ccccc1\n",
      "c1ccc2c(c1)[I+]c1ccccc1-2\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)c2O[C@@H]1CN(C)S(=O)(=O)c1ccc(Cl)cc1\n",
      "CCc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCN(Cc3ccccc3)C(C)C)cc2)cc1\n",
      "CCCCCC[n+]1ccccc1/C=C/c1ccc(N(C)C)cc1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O[C@H](C)CCCCO[C@H]1CN(C)Cc1ccc(C(F)(F)F)cc1\n",
      "N#C[C@@H]1[C@H](c2ccc(C3=CCCCC3)cc2)[C@H](CO)N1C(=O)c1cccc(F)c1\n",
      "C[C@@H](NC(=O)N(C)C[C@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@H](C)CO)C[C@H]1C)c1ccccc1\n",
      "C[C@H]1CCCCO[C@@H](CN(C)C(=O)Nc2cccc3ccccc23)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O1\n",
      "CN1CCCN=C1/C=C/c1cccc(O)c1\n",
      "O=c1c2ccc([N+](=O)[O-])cc2sn1-c1ccccc1\n",
      "O=C1C(=O)N(Cc2ccc(-c3ccsc3)cc2)c2ccc(OC(F)(F)F)cc21\n",
      "Cn1nnnc1Sc1ncnc2scc(-c3cccc(S(C)(=O)=O)c3)c12\n",
      "COc1ccc2c(c1OC)C(=O)O[C@H]2[C@@H]1c2c(cc3c(c2OC)OCO3)CCN1C\n",
      "Cc1c2ccccc2c(C)c2c1ccc1ccccc12\n",
      "CCCCCCN(CCCCCC)C(=O)Cc1c(-c2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12\n",
      "CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1\n",
      "COc1ccc(C(c2ccc(OC)cc2)C(Cl)(Cl)Cl)cc1\n",
      "CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2C2=NNNN2)cc1\n",
      "CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1\n",
      "Cc1ccc(NCn2c(=O)oc3ccccc32)cc1\n",
      "O=C1C=CCCN1S(=O)(=O)/C=C/c1ccccc1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCC(F)(F)F)ccc2O[C@H](C)CCCCO[C@@H]1CN(C)S(=O)(=O)c1ccc(Cl)cc1\n",
      "C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)CC1CCOCC1\n",
      "CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21\n",
      "C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@@H]1CN(C)C\n",
      "Nc1nc2cc(Cl)ccc2o1\n",
      "CCc1ccc2nc(Nc3nc(=O)c4ccccc4[nH]3)nc(C)c2c1\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)NC(C)C)OCCCC[C@H](C)O2\n",
      "Cn1c2ccc(/N=C/c3ccccc3O)cc2c2nc3ccccc3nc21\n",
      "Oc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@]314\n",
      "C[C@H]1COc2c(C3(N)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23\n",
      "C=CCNC(=O)[C@H]1[C@@H]2C(=O)O[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2[C@@H](c2ccc(OCCO)cc2)[C@]12C(=O)Nc1ccc(C#CCNC(N)=O)cc12\n",
      "OCCNc1nc(Nc2ccccc2C(F)(F)F)nc(N2CCCC2)n1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2cccs2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O\n",
      "O=C(OCC#CCSc1nnc(-c2ccccc2Cl)o1)c1ccc(F)cc1\n",
      "S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1\n",
      "O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccc(Oc3ccccc3)cc2)O1)N1CCc2ccccc2C1\n",
      "Cc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CCS(=O)(=O)O)C2=O)cc1\n",
      "O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)c2ccccc2F)O1)NCc1ccc(Cl)c(Cl)c1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(F)cc2)Oc2ncc(C#Cc3cccnc3)cc2C1=O\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccccc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)CCCN(C)C)cc2C1=O\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(N(C)C)ccc2O[C@H](C)CCCCO[C@H]1CN(C)Cc1ccc2c(c1)OCO2\n",
      "COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12\n",
      "C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)C(=O)CC1CC1\n",
      "O=S(=O)(N[C@H]1CCCC[C@@H]1N1CCOCC1)c1ccc(Cl)cc1\n",
      "O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2cccnc2)O1)NC1Cc2ccccc2C1\n",
      "COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccccc1OC)CC31CN(C)C1\n",
      "COc1ccc(C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C#N)CC(=O)O)C(C)(C)C)cc1Cl\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(C#Cc3cccnc3)cnc2O[C@H]1CN(C)Cc1ccc(F)cc1\n",
      "O=C1CC(=O)c2ccccc2C1=O\n",
      "COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CCN(Cc2ccc(Cl)cc2)CC1\n",
      "N#C/C(=C\\c1cccc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1\n",
      "CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccncc2)O1\n",
      "NC(=O)CCCCn1ccc(N=C(N)NCC(F)(F)F)n1\n",
      "Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O\n",
      "NC1=C(Cl)C(=O)c2ccccc2C1=O\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O[C@@H]1CN(C)C(=O)NC1CCCCC1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc(N(C)C)cc2C1=O\n",
      "CC(=O)CCCCn1cnc2c1c(=O)n(C)c(=O)n2C\n",
      "CCN(CC)CCCCNc1ncc2c(n1)N(C)C(=O)N(c1c(Cl)c(OC)cc(OC)c1Cl)C2\n",
      "C[C@H]1CCCCO[C@@H](CN(C)C(=O)Nc2ccccc2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)CCC(F)(F)F)ccc2O1\n",
      "Cc1ccc(C(=O)Cn2c3c(sc2=N)CCCC3)cc1\n",
      "CC(=O)NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1\n",
      "Cn1nnnc1Sc1ncnc2scc(-c3ccc(Cl)cc3)c12\n",
      "Nc1c2c(nc3c1CCC3)CCCC2\n",
      "Cc1cccc(N2CCN(C(=O)c3cccc(S(=O)(=O)N(C)C)c3)CC2)c1C\n",
      "Cc1cc(C)c2nc(-c3cccnc3)cc(C(=O)Nc3ccc(S(=O)(=O)Nc4onc(C)c4C)cc3)c2c1\n",
      "O=C(OCC#CCSc1nnc(-c2cc3ccccc3cc2O)o1)c1ccc(F)cc1\n",
      "COc1cc2ccc(=O)oc2c(OC)c1OC\n",
      "C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)C3CCCCC3)C23CN(C(=O)NC(C)C)C3)cc1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2O[C@H](C)CCCCO[C@@H]1CN(C)S(=O)(=O)c1ccc(F)cc1\n",
      "CCCCCCCC/C=C\\CCCCCCCC(=O)NCCO\n",
      "CCCCCCCCCCCCCCCc1cccc(O)c1C(=O)O\n",
      "Cc1ccc(N2C(=O)c3ccccc3[C@@H](C(=O)NCCCN(C)C)[C@@H]2c2ccc(CO)cc2)nc1\n",
      "CC(=O)NCCc1c(Cc2ccccc2)[nH]c2ccccc12\n",
      "O=C1CCc2cc(OCCCCc3nnnn3C3CCCCC3)ccc2N1\n",
      "CN(C)c1nc(N(C)C)nc(N(C)C)n1\n",
      "Cc1[nH]c(=O)c(C#N)cc1-c1ccncc1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)C3CCCCC3)c2O[C@H]1CN(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1\n",
      "CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2C(=O)[C@@H](/N=C/N3CCCCCC3)[C@H]2SC1(C)C\n",
      "O=C(O)CCCc1ccccc1\n",
      "CCCCn1c(O)c(N=Nc2ccccc2O)c2ccccc21\n",
      "CN(C)CCOc1ccc(/C(=C(\\CCCl)c2ccccc2)c2ccccc2)cc1\n",
      "N#C[C@H]1[C@@H](c2ccc(C3=CCCCC3)cc2)[C@H](CO)N1S(=O)(=O)c1ccccc1\n",
      "CCNC(=O)c1cc2c(c(-c3cccc(-c4cccc(OC)c4)c3)n1)[C@H](CCO)N([S@@](=O)C(C)(C)C)C2\n",
      "Cc1ccc(C)c(-n2sc3cc(F)ccc3c2=O)c1\n",
      "O=C(CCCCC(=O)Nc1c(I)cc(I)c(C(=O)O)c1I)Nc1c(I)cc(I)c(C(=O)O)c1I\n",
      "O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2ccncc2)O1)Nc1ccc(-c2ccccc2)cc1\n",
      "COc1ccc(C(=O)NCc2cccnc2)cc1C(=O)NCc1cccnc1\n",
      "NC(=O)c1ccc(-c2nc(-c3ccc4c(c3)OCO4)c(-c3ccccn3)[nH]2)cc1\n",
      "N#Cc1c(Cc2cccc3ccccc23)nn(CCO)c1N\n",
      "CCOc1cncc(C=CCCNC)c1\n",
      "O=C(NCc1cccnc1)c1cc2ccccc2oc1=O\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cccc(NS(=O)(=O)c3cccs3)c2O[C@H]1CN(C)Cc1ccc(Cl)c(Cl)c1\n",
      "C[C@H]1CCCCO[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(C)(=O)=O)ccc2O1\n",
      "Cc1cccc(C=Cc2ccccc2)n1\n",
      "NP(N)(=O)NC(=O)c1ccc(F)cc1\n",
      "Cc1ccccc1S(=O)(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#CCN(C)C)cc3)[C@H]2C1\n",
      "O=C(CN1CCOCC1)N/N=C/c1ccc([N+](=O)[O-])o1\n",
      "O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)O1)NCc1ccc(Cl)c(Cl)c1\n",
      "O=C(O)c1nn(Cc2ccc(Cl)cc2)c2ccccc12\n",
      "COCC(=O)N1CC2(C1)CN(Cc1ccc3c(c1)OCO3)[C@@H](CO)c1c2c2ccc(OC)cc2n1C\n",
      "N#CC(C#N)=Cc1ccc([N+](=O)[O-])c(O)c1\n",
      "C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5\n",
      "C/C=C/c1ccc([C@@H]2[C@@H](C#N)N(S(=O)(=O)c3cccc(F)c3)[C@@H]2CO)cc1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O[C@H](C)CCCCO[C@H]1CN(C)C(=O)Nc1cccc2ccccc12\n",
      "COCC(=O)N1CC2(C1)CN(Cc1cccc(Cl)c1)[C@H](CO)c1[nH]c3cc(OC)ccc3c12\n",
      "COc1ccc(Cl)cc1NC(=O)Nc1cc(C)nc2ccccc12\n",
      "CCOc1ccc(-c2nc(CSCC(=O)NC3CC3)c(C)o2)cc1\n",
      "Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)CC2CCCCC2)O3)cc1\n",
      "COc1ccc2c(c1)c(CC(=O)OCC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1\n",
      "COc1ccc(-c2ccc3c(N4CCOCC4)nc(N4C[C@H](C)O[C@H](C)C4)nc3n2)cc1CO\n",
      "OC[C@H]1[C@@H](c2ccc(-c3cccnc3)cc2)[C@@H]2CN(Cc3ccccn3)CCCCN12\n",
      "OCCn1cc(-c2ccc3c(c2)CC/C3=N\\O)c(-c2ccncc2)n1\n",
      "O=C(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1c(F)cccc1F\n",
      "CN(C)CC/C=C1/c2ccccc2COc2ccc(CC(=O)O)cc21\n",
      "O=c1c2ccc(F)cc2nc2sc(Nc3ccc4c(c3)CCC4)nn12\n",
      "O=C(O)C1=CCCN(CCOC(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)C1\n",
      "O=C(c1ccoc1)N1CCN(c2cc(-c3ccco3)nc3cc(-c4ccco4)nn23)CC1\n",
      "O=C(C[C@H]1C[C@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@H]2[C@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1\n",
      "O=C(Cn1c2ccccc2c2nc3n(c(=O)c21)CCS3)N1CCCC1\n",
      "O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1\n",
      "CC(C)NC(=O)N(C)C[C@H]1OCCCC[C@@H](C)Oc2ccc(NC(=O)C3CCCCC3)cc2C(=O)N([C@@H](C)CO)C[C@H]1C\n",
      "COc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)C2CCCCC2)[C@@H](CO)N3)c1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)c3ccncc3)c2O[C@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1\n",
      "COc1ccc2oc(=N)c(-c3nc4ccccc4[nH]3)cc2c1\n",
      "Cc1cc(F)c(Nc2ncnc3cc(OCc4ccccc4)ccc23)cc1O\n",
      "NS(=O)(=O)OC[C@@H]1C[C@@H](n2ccc3c(N[C@H]4CCc5ccccc54)ncnc32)C[C@@H]1O\n",
      "N=C(N)NN=Cc1c(Cl)cccc1Cl\n",
      "COc1ccc(CNC(=O)Nc2ncc([N+](=O)[O-])s2)cc1\n",
      "CCOC(=O)c1n[nH]c(=S)[nH]c1=O\n",
      "Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1\n",
      "COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)O3)cc1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)Cc2cc(N(C)C)ccc2O[C@@H]1CN(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)CCN3CCOCC3)cc2CC1=O\n",
      "CC1(C)c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(c3ccc(F)cc3F)C(=O)N21\n",
      "CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@H]2CC[C@@]3(C)[C@H](CC[C@@]34CCC(=O)O4)[C@H]12\n",
      "CCCN(C)C[C@H]1Oc2cc(C#Cc3ccccc3F)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C\n",
      "OCCNc1nc(Nc2ccccc2OC(F)(F)F)nc(N2CCCC2)n1\n",
      "NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O\n",
      "CCCCc1ncc(/C=C(\\Cc2cccs2)C(=O)O)n1Cc1ccc(C(=O)O)cc1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O\n",
      "Brc1ccc(-c2csc(N3CCC(c4nn[nH]n4)CC3)n2)cc1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)Nc3ccc(F)cc3)c2O[C@H]1CN(C)S(=O)(=O)c1ccc(Cl)cc1\n",
      "NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1\n",
      "CC(C)NC[C@@H](O)COc1ccc(CC(N)=O)cc1\n",
      "COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43\n",
      "CCCCCCCCCCCCCCCC(=O)NCCO\n",
      "C[C@H]1CCCCO[C@H](CN(C)Cc2ccncc2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O1\n",
      "CC(=O)Oc1ccccc1C(=O)Nc1ccccc1\n",
      "COc1ccc(-n2nc3c4c([nH]cc-3c2=O)CCCCC4)cc1\n",
      "CN(C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12\n",
      "O=C1C(SCCO)=C(SCCO)C(=O)c2ccccc21\n",
      "C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C\n",
      "N#Cc1nc(-c2cccc3ccccc23)oc1N\n",
      "Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1\n",
      "C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC[C@H]1C\n",
      "COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccccc1)CC31CN(S(=O)(=O)c2ccc(C)cc2)C1\n",
      "COc1ccc(CNC(=O)C=Cc2ccc3[nH]cc(CCN(C)C)c3c2)cc1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)Nc3ccc4c(c3)OCO4)c2O[C@H]1CN(C)S(=O)(=O)c1ccc(F)cc1\n",
      "Cc1cn(-c2cc(C(=O)Nc3ccc(C)c(NC(=O)c4ccno4)c3)cc(C(F)(F)F)c2)cn1\n",
      "CC(/C=C/C(=O)NO)=C\\[C@@H](C)C(=O)c1ccc(N(C)C)cc1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(C#CCN(C)C)cnc2O[C@@H]1CN(C)Cc1cccc(F)c1\n",
      "CCCNC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4cccc(OC)c4)cc3)[C@H]2C1\n",
      "COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CN(Cc2ccc(F)cc2)C1\n",
      "CC(=Cc1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C\n",
      "COc1ccc(CN(C)C[C@@H]2OCCCC[C@@H](C)Oc3ccc(NC(=O)C4CCCCC4)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1\n",
      "Brc1c(NC2=NCCN2)ccc2nccnc12\n",
      "C=CCOc1ccccc1CN(C(=O)CCl)c1ccc2c(c1)OCO2\n",
      "C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#Cc3ccccc3F)cc2O[C@H]1CN(C)CC1CCOCC1\n",
      "C[C@@H]1CCCCO[C@H](CN(C)C(=O)CCC(F)(F)F)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2O1\n",
      "Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)S(=O)(=O)c1ccc(Cl)cc1)OCCCC[C@@H](C)O2\n",
      "O=C(O)Cc1nn(Cc2ccc(Br)cc2F)c(=O)c2ccccc12\n",
      "COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC\n",
      "NCCCCCCNS(=O)(=O)c1ccc2c(Cl)cccc2c1\n",
      "N#Cc1sc2sc(C#N)c(-c3ccco3)c2c1N\n",
      "CCOC(=O)c1ncc2[nH]c3cccc(OC(C)C)c3c2c1C\n",
      "O=S(=O)(c1cccc2c(Cl)cccc12)N1CCCNCC1\n",
      "COc1cc2ncnc(Nc3cc(Br)c(O)c(Br)c3)c2cc1OC\n",
      "CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)Oc2c(NC(=O)Nc3cccc4ccccc34)cccc2C1=O\n",
      "Cc1cc(Nc2cc(N3CCN(C)CC3)nc(/C=C/c3ccccc3)n2)n[nH]1\n",
      "O=C(OCC#CCSc1nnc(-c2cccc3ccccc23)o1)c1cc2ccccc2o1\n",
      "COc1ccccc1CNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)CN(C)C)ccc3O[C@H]2[C@H](CO)O1\n",
      "CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1\n",
      "O=C(c1ccc(Cl)cc1)N1CCN(c2ccccn2)CC1\n",
      "O=C(O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl\n",
      "C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(C#N)cc3)cc2O[C@@H]1CN(C)CC1CC1\n",
      "CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1\n",
      "CCOC(=O)NNc1nncc2ccccc12\n",
      "COc1ccc(-c2cc(C(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1F\n",
      "Cc1c(C=O)c(C=O)c(C)n1Cc1ccccc1\n",
      "O=C(O)CCN1C(=O)/C(=C/c2ccc(F)cc2F)SC1=S\n",
      "CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C\n",
      "CN(C)c1nc(N)c(C(=O)Nc2cccnc2)nc1Cl\n",
      "CN1C(=O)c2cc(NC(=O)c3cnccn3)ccc2OC[C@@H]2O[C@H](CC(=O)N[C@H]3CCN(Cc4ccccc4)C3)CC[C@@H]21\n",
      "C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@@H]1CN(C)Cc1ccccn1\n",
      "CN(C)C(=O)C[C@H]1C[C@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@H]2[C@@H](CO)O1\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)CC2CCCCC2)O3)cc1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)NC3CCCCC3)c2O[C@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1\n",
      "CNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2S(=O)(=O)c2ccccc2Cl)O1\n",
      "CN(C)C(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2ccncc2)O1\n",
      "Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12\n",
      "C[C@H]1CCCCO[C@@H](CN(C)C(=O)C2CCCCC2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2O1\n",
      "Cc1nc(CNc2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)cs1\n",
      "CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccccc1)C2\n",
      "C[C@H]1CN(S(=O)(=O)c2c(F)cccc2F)CCN1S(=O)(=O)c1ccc2c(c1)OCCO2\n",
      "CCCN1CNc2c(c(=O)[nH]c(=S)n2CCc2cccc(Cl)c2Cl)C1\n",
      "O=S(=O)(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccc(S(=O)(=O)c2ccccc2)s1\n",
      "OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1\n",
      "CCCCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc(OC)cc3)N2C1=O\n",
      "COc1ccc(NC(=O)N(C)C[C@@H]2OCCCC[C@@H](C)Oc3ccc(NC(=O)C4CCCCC4)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1\n",
      "O=C(NC[C@H]1N[C@H](CO)[C@@H]1c1ccc(C2=CCCC2)cc1)C1CCC1\n",
      "O=C(Nc1cccnc1)N1CCC(Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1\n",
      "O=C(Cn1nnc2sc3c(c2c1=O)CCCC3)NCc1ccco1\n",
      "Cc1noc(C)c1S(=O)(=O)N(C)C[C@@H]1Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C(=O)N([C@@H](C)CO)C[C@@H]1C\n",
      "C/C=C(/C)C(=O)O[C@H]1C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@@H](OC(=O)CCC)C[C@](C)(OC(C)=O)[C@H]2[C@@H]1OC(=O)CCCCCCC\n",
      "CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)[C@@H](C)CC\n",
      "CCCN(C[C@H]1N[C@H](CO)[C@@H]1c1ccc(-c2cccnc2)cc1)C(C)=O\n",
      "C/C=C/c1ccc([C@H]2[C@H](CO)N(C(C)=O)[C@H]2CN(C)C(=O)c2ccccn2)cc1\n",
      "CC(C)(C)c1ccc(CNc2nc(-c3ccccn3)nnc2-c2ccccc2)cc1\n",
      "O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1\n",
      "CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)NC3CCCCC3)cccc2C1=O\n",
      "CCc1ccc(/C=C/C(=O)NC2=NCCS2)cc1\n",
      "COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1\n",
      "CC(C)NC(=O)N(C)C[C@@H]1Oc2ccc(N(C)C)cc2CC(=O)N([C@H](C)CO)C[C@@H]1C\n",
      "CCOC(=O)N1CCC(NCCNC(=O)c2ccc(F)c(F)c2)CC1\n",
      "COc1ccc(S(=O)(=O)N2CC3(CN(Cc4ccccc4OC)[C@H](CO)c4[nH]c5cc(OC)ccc5c43)C2)cc1\n",
      "CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@@H]2SC1(C)C\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)Nc3ccccc3)ccc2O[C@@H]1CN(C)Cc1ccc(C(F)(F)F)cc1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NS(C)(=O)=O)ccc2O[C@@H]1CN(C)C(=O)Nc1cccc2ccccc12\n",
      "O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1\n",
      "CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)C(C)(Oc1ccc(O)cc1)P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2O[C@@H]1CN(C)Cc1ccc(C(F)(F)F)cc1\n",
      "O=C(CC1CC1)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2CC1CCOCC1\n",
      "N#Cc1ccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(C(=O)Nc5ccc(F)cc5)C[C@@H]34)cc2)cc1\n",
      "Cc1cc(C)n2ncc(C(=O)Nc3ccc4c(c3)CCC4)c2n1\n",
      "COc1ccc(CN(C)C[C@@H]2OCCCC[C@@H](C)Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1\n",
      "CCCOc1ccc(-c2nc(CSCC(=O)NC3CC3)c(C)o2)cc1\n",
      "CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1\n",
      "C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)Cc1cccnc1\n",
      "COc1ccc(Cl)cc1NC(=S)NCCCN1CCCC1=O\n",
      "CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(CC5CCOCC5)C[C@H]34)cc2)c1\n",
      "COC(=O)CCCCCCC(=O)N/N=C/c1ccccc1Cl\n",
      "O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)c1cc2c(s1)CCCC2\n",
      "COc1ccc(S(=O)(=O)N2C[C@@H](O)COC[C@@H]3O[C@H](CC(=O)N[C@@H]4CCN(Cc5ccccc5)C4)CC[C@H]32)cc1\n",
      "CC(C)[C@]1(O)[C@@H](OC(=O)c2ccc[nH]2)[C@@]2(O)[C@@]3(C)C[C@]4(O)O[C@@]5([C@H](O)[C@@H](C)CC[C@]35O)[C@@]2(O)[C@]41C\n",
      "Nc1nc(CSc2nnnn2-c2ccccc2)nc(Nc2ccccc2)n1\n",
      "CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2\n",
      "C[C@H]1CCCCO[C@@H](CN(C)S(=O)(=O)c2ccccc2)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCCN(C)C)ccc2O1\n",
      "C=CC[C@@H]1/C=C(\\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC\n",
      "CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O\n",
      "C[C@@H]1CCCCO[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2O1\n",
      "Cc1cc(Br)ccc1NC(=O)CCCOc1cc(=O)n(C)c2ccccc12\n",
      "CN(C)C(=O)Oc1ccc[n+](C)c1\n",
      "COc1ccc(C=CC(=O)CC(=O)C=Cc2cccc(O)c2OC)cc1O\n",
      "O=C1c2ccccc2-c2ccc(P(=O)(O)O)cc21\n",
      "CO[C@@H](CN(C)S(=O)(=O)c1ccc(Cl)cc1)[C@H](C)CN([C@@H](C)CO)S(=O)(=O)c1cccc(Cl)c1\n",
      "CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O\n",
      "C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1CCC2=O\n",
      "CC(C)NC(=O)Nc1cccc2c1O[C@H](CN(C)C)[C@H](C)CN([C@H](C)CO)C2=O\n",
      "N[C@](CC1c2ccccc2Oc2ccccc21)(C(=O)O)[C@H]1C[C@@H]1C(=O)O\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cccc(N(C)C)c2O[C@@H]1CN(C)C(=O)NC1CCCCC1\n",
      "CN(Cc1ccco1)Cc1ccc(O)c2ncccc12\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(-c3ccc(C#N)cc3)cnc2O[C@@H]1CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1\n",
      "Cc1cc2c(s1)c1cnn(Cc3ccc(F)cc3F)c(=O)c1n2C\n",
      "CCn1c(=O)n(C2=C(CO)CN(CC3CCCCCCC3)CC2)c2ccccc21\n",
      "CC(C)(C)OC(=O)Nc1ccc(-c2cc(C(=O)NCCCCCCC(=O)NO)no2)cc1\n",
      "O=S(=O)(Nc1cc(Sc2cccc3cccnc23)c(O)c2ccccc12)c1ccc(Cl)cc1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)c3ccc(-c4nccs4)cc3)c2O[C@H]1CN(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(C#Cc3ccccn3)cnc2O[C@@H]1CN(C)CC1CCCC1\n",
      "CN(C[C@H]1N[C@@H](CO)[C@@H]1c1ccc(C2=CCCC2)cc1)C(=O)c1ccccn1\n",
      "COc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)cc1CO\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CCOCC2)Oc2cc(C#Cc3ccccc3F)ccc2S1(=O)=O\n",
      "C[C@H]1CCCCO[C@H](CN(C)CC2CCCCC2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)c3ccccc3)ccc2O1\n",
      "NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1\n",
      "Cc1ccc(-c2ccc3c(c2)O[C@@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](C)CN([C@H](C)CO)S3(=O)=O)cc1\n",
      "CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NCCc3ccncc3)nc(-c3cccc(-c4cccc(C#N)c4)c3)c2[C@H]1CCO\n",
      "COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#CCCO)ccc31)[C@H](C(=O)Nc1nc3ccccc3s1)[C@H]1C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N1[C@@H]2c1ccc(O)cc1\n",
      "O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2cc(F)ccc2F)O1)N1CCc2ccccc2C1\n",
      "CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1\n",
      "O=C(N/N=C/c1cccc(O)c1O)c1ccccc1O\n",
      "Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1\n",
      "CN(C)CC(=O)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2ccncc2)cc1\n",
      "O=C(C[C@@H]1CC[C@@H]2NC[C@@H](O)COC[C@H]2O1)NC1Cc2ccccc2C1\n",
      "CCOC(=O)C(C#N)(Cc1cc(OC)cc(OC)c1)Cc1cc(OC)cc(OC)c1\n",
      "C[C@@H](O)CNC(C)(C)CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O\n",
      "COc1ccc(-c2cc3nc(-c4ccccc4)cc(N4CCN(C(=O)c5ccsc5)CC4)n3n2)cc1\n",
      "CCN(C[C@@H]1[C@@H](c2ccc(C3=CCCCC3)cc2)[C@@H](CO)N1CC1CC1)C(C)=O\n",
      "CCCNC(=O)NC[C@H]1[C@@H](c2ccc(C3=CCCCC3)cc2)[C@@H](CO)N1C(C)=O\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3cn(C)cn3)ccc2O[C@H](C)CCCCO[C@H]1CN(C)C(=O)CCCN(C)C\n",
      "CCCN(CCC)C1Cc2cc(OC)c(OC)cc2C1\n",
      "CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21\n",
      "O=C(Oc1cccc2cccnc12)c1ccccc1\n",
      "NC12CC3CC(CC(C3)C1)C2\n",
      "C[C@H]1CCCCO[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc4c(c3)OCO4)ccc2O1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)C(=O)Nc1cccc(C(F)(F)F)c1\n",
      "O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1\n",
      "O=C(CSc1nnc(-c2cccc(Br)c2)n1-c1ccccc1)c1ccc(F)cc1\n",
      "O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)c2cccnc2)O1)Nc1ccc(-c2ccccc2)cc1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(F)cc3)ccc2O[C@H](C)CCCCO[C@@H]1CN(C)Cc1ccc(C(F)(F)F)cc1\n",
      "CCc1cnc(N2[C@@H](C#N)[C@H](c3ccc(C4=CCCCC4)cc3)[C@@H]2CO)s1\n",
      "C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1\n",
      "CCCCOc1ccc(Cl)cc1Nc1nc(NCCO)nc(N2CCCC2)n1\n",
      "OCCN1CCN(CC/C=C2/c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1\n",
      "C[C@H]1CCCCO[C@H](CN(C)CC2CCCCC2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2O1\n",
      "C[C@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@@H](C)N1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccccc2)Oc2cc(C#CC3CC3)ccc2S1(=O)=O\n",
      "Cc1c(NC(=O)/C(C#N)=C/c2ccc3ccccc3c2)c(=O)n(-c2ccccc2)n1C\n",
      "Cc1csc(CNc2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)c1\n",
      "C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC[C@]2(O)C(=O)CO\n",
      "CN/C(=C\\[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1\n",
      "Cn1c(=O)c2c(ncn2CC2OCCO2)n(C)c1=O\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)NC3CCCCC3)c2O[C@@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1\n",
      "COc1ccc(S(=O)(=O)N(C(C)=O)c2ccccc2/C=C/c2cc[n+]([O-])cc2)cc1\n",
      "C[C@]12CC[C@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@H]1CCC2=O\n",
      "O=c1/c(=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)sc2nc3cc(Br)cnc3n12\n",
      "CN[C@@H]1C[C@@]2(C)O[C@@H]([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4\n",
      "CC[C@@H]1/C=C/C=C/C[C@H](C)[C@@H](O)[C@](C)(O)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C(=O)O[C@H]2[C@@H](C)[C@@H](CC1)O[C@@]1(CC[C@@H](C)[C@@H](C[C@H](C)O)O1)[C@@H]2C\n",
      "O[C@@H](COc1cccc2ncccc12)CN1CCN([C@@H]2c3ccccc3[C@@H]3[C@H](c4ccccc42)C3(F)F)CC1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3cn(C)cn3)ccc2O[C@H](C)CCCCO[C@@H]1CN(C)Cc1ccc(C(F)(F)F)cc1\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "NCCNS(=O)(=O)c1cccc2cnccc12\n",
      "Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O\n",
      "O=C1c2ccccc2C(=O)C1c1ccccc1\n",
      "O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccc(Oc3ccccc3)cc2)O1)N1CCCCC1\n",
      "Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)Cc1ccc(C(F)(F)F)cc1)O2\n",
      "CNc1nc(-c2ccc3c(N)n[nH]c3c2)cc(N2C[C@@H](C(=O)NC3CCCCC3)CC[C@H]2C)n1\n",
      "Cc1csc(CNc2ncnc3ccc(-c4ccc5c(c4)OCCO5)cc23)c1\n",
      "O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cccc(C(F)(F)F)c2)O1)NCCc1ccccc1\n",
      "COc1ccccc1NC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC(C)C)cc3)[C@H]2C1\n",
      "c1csc(CNc2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)c1\n",
      "CCCNC(=O)N1CC2(C1)CN(C(=O)Nc1ccc(F)cc1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)CC2CC2)OCCCC[C@@H](C)Oc2ccc(NC(=O)CCC(F)(F)F)cc2C1=O\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O[C@H](C)CCCCO[C@H]1CN(C)C(=O)CCCN(C)C\n",
      "O=C(O)c1ccc(O)c2ncccc12\n",
      "N#Cc1cc(NC(=O)c2ccc(Cl)cc2)ccc1Sc1ccccc1\n",
      "O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12\n",
      "CCN(CC)CCCCN1c2ccccc2Oc2ccc(Cl)cc21\n",
      "COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc4ccccc4N)cc2)OCCCC[C@@H](C)O3)cc1\n",
      "C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)Cc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2O[C@H]1CN(C)CC1CCCCC1\n",
      "Cc1nc[nH]c1CCN\n",
      "Cc1ccc(-n2sc3ccccc3c2=O)cc1S(=O)(=O)N1CCCCC1\n",
      "COC(=O)C(CC#Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](c2ccc(O)cc2)N2[C@H](c3ccccc3)[C@H](c3ccccc3)OC(=O)[C@H]2[C@@H]1C(=O)N1CCCCCCC1)C(=O)OC\n",
      "COc1cccc(-c2cc3nc(C)cc(N4CCN(C(=O)c5ccoc5)CC4)n3n2)c1\n",
      "CN1CCN(C(=O)C[C@@H]2CC[C@H]3[C@@H](COc4ccc(NC(=O)c5cscn5)cc4C(=O)N3C)O2)CC1\n",
      "COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1cc(F)ccc1F)CC31CCN(C(=O)C2CCC2)CC1\n",
      "C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@@]43C)N2C1\n",
      "CN1C(=O)CN=C(c2ccccc2)c2cc([N+](=O)[O-])ccc21\n",
      "O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc[nH]1\n",
      "CCC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4cccnc4)cc3)[C@H]2C1\n",
      "CN1CCC(Nc2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1\n",
      "COc1ccc(CCn2c(N)cc(=O)[nH]c2=S)cc1OC\n",
      "CO[C@H]1CC[C@@H]2CCN(C)C(=O)[C@H](C)[C@H](OC)CN(C)C(=O)c3cc(C#N)ccc3OC[C@H]1O2\n",
      "Oc1ccccc1/C=C/c1noc(-c2ccccc2O)n1\n",
      "CCC(=O)N1[C@H](CO)[C@H](c2ccc(C3=CCCCC3)cc2)[C@H]1CNCC1CCC1\n",
      "NC(=O)[C@@H]1[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@H](c2ccc(OCCO)cc2)[C@@]12C(=O)Nc1ccccc12\n",
      "Cn1nnnc1SCCNC/C=C/c1ccccc1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)C3CC3)c2O[C@@H]1CN(C)Cc1ccc(Cl)c(Cl)c1\n",
      "CO[C@@]1(NC(=O)Cc2cccs2)C(=O)N2C(C(=O)O)=C(COC(N)=O)CS[C@@H]21\n",
      "Cc1cccc(-c2ccc3ncnc(NCc4cccs4)c3c2)c1\n",
      "O=C(CN1CCOCC1)N[C@@H]1CC[C@H](CCn2cc(C3CCCCC3)nn2)O[C@H]1CO\n",
      "CN1CCC2=C[C@H](O)[C@H]3OC(=O)c4cc5c(cc4[C@H]3[C@@H]21)OCO5\n",
      "C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)Cc1ccccn1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)C2CCCCC2)Oc2ncc(C#CC3CCCCC3)cc2C1=O\n",
      "NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O\n",
      "CC(=O)NCCCNC(=S)NCCCN(Cc1ccc(Cl)cc1)c1ccc(Br)cn1\n",
      "C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)C\n",
      "Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1\n",
      "N#Cc1ccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(C(=O)Cc5ccccc5)C[C@@H]34)cc2)cc1\n",
      "O=S(=O)(O)c1cc(O)ccc1O\n",
      "C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)Cc1ccccc1F\n",
      "C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\\OCC(=O)O)c3csc(N)n3)[C@H]2SC1\n",
      "CN1C(C)(C)CCCC1(C)C\n",
      "CNCC[C@H](Oc1cccc2ccccc12)c1cccs1\n",
      "COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1\n",
      "Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1\n",
      "COc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3c(NC(=O)Nc4cccc5ccccc45)cccc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1\n",
      "O=S(=O)(N[C@H]1CC[C@@H](NS(=O)(=O)c2c(F)cccc2F)CC1)c1ccc2c(c1)OCCO2\n",
      "c1ccc(-c2nn(Cc3ncco3)c3ccccc23)cc1\n",
      "CO[C@H]1CC[C@@H]2CCN(C)C(=O)[C@H](C)[C@@H](OC)CN(C)C(=O)c3cc(C#N)ccc3OC[C@H]1O2\n",
      "O=C(Nc1ccccc1F)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C4=CCCCC4)cc3)[C@H]2C1\n",
      "O=C(c1ccc2c(c1)OCCO2)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1\n",
      "COc1ccc(Nc2nc(N3CCCC3)nc(N3CCOCC3)n2)cc1\n",
      "Cc1ccc(OCCCOc2ccc(Cl)cc2Cl)c([N+](=O)[O-])n1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)CC2CCCCC2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@H]1CN(C)Cc1cccc(C(=O)O)c1\n",
      "CCCC[C@@H]1NC(=O)[C@](C)(NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCNC(C)=O)[C@@H](C)CC)CCC/C=C\\CCC[C@](C)(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC1=O\n",
      "C[C@@H]1CCCCO[C@H](CN(C)C)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2O1\n",
      "Cc1ccc(C(=O)n2c3ccccc3c3ccccc32)cc1\n",
      "Nc1c(S(=O)(=O)O)cc(Nc2cccc3ccccc23)c2c1C(=O)c1ccccc1C2=O\n",
      "COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12\n",
      "C=CCOC(=O)[C@H]1[C@@H]2C(=O)O[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2[C@@H](c2ccc(OCCOC(=O)[C@H]3C[C@H]4C(=O)N[C@@H](CC(C)C)C(=O)N4[C@H]3c3ccc(O)cc3)cc2)[C@]12C(=O)Nc1ccccc12\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)Cc2cc(N(C)C)ccc2O[C@@H]1CN(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1\n",
      "CCOC(=O)C1=C(NC(=S)Nc2ccccc2)CC2=C1CCCC2\n",
      "C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#CCN(C)C)cc2O[C@H]1CN(C)Cc1ccccc1\n",
      "C=CCC1(CC(C)C)C(=O)NC(=O)NC1=O\n",
      "O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2cccc(C(F)(F)F)c2)O1)NCc1ccc(Cl)cc1\n",
      "CCc1ccc2c(c1)/C(=C1/NC(=S)NC1=O)C(=O)N2\n",
      "COC(=O)c1cnn(-c2ccc(F)cc2F)c1C=NN=C(S)Nc1ccc(Cl)cc1\n",
      "CO[C@H](CN(C)Cc1cc(F)ccc1F)[C@@H](C)CN([C@@H](C)CO)S(=O)(=O)c1ccc(F)cc1\n",
      "c1cncc(-c2ccc([C@H]3[C@H]4CN(Cc5ccc6c(c5)OCO6)C[C@@H]3N4)cc2)c1\n",
      "CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)Nc1cccc2ccccc12\n",
      "N=C(NCc1ccc(Cl)cc1)SCCCc1c[nH]cn1\n",
      "C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CC3CCCC3)cc2O[C@@H]1CN(C)C(=O)Nc1cc(F)ccc1F\n",
      "CC1(C)O[C@@H]2C[C@H]3[C@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1\n",
      "O=C(Nc1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C4=CCCC4)cc3)[C@H]2C1\n",
      "COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)CCCN(C)C)OCCCC[C@@H](C)O3)cc1\n",
      "CC(C)(C)c1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2C(=O)O)cc1\n",
      "C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)C(=O)c1ccccc1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)NC2CCCCC2)Oc2ccc(NC(=O)C3CCCCC3)cc2C1=O\n",
      "NS(=O)(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1\n",
      "O=C(Nc1cccc(Cl)c1)Nc1ncc(CCNc2ncnc3ccsc23)s1\n",
      "NCCCNC(=S)NCCCN(Cc1ccc(Cl)cc1)c1ccc(Br)cn1\n",
      "O=C(O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1\n",
      "CN1CCN(c2ccc(-c3csc(N4CCC(C(N)=O)CC4)n3)cc2)CC1\n",
      "CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@@H]3CC[C@@]21C\n",
      "CN(C)C(=O)c1ccc(-c2cccc(-c3nc(C(=O)NC4CCCC4)cc4c3[C@@H](CCO)N([S@](=O)C(C)(C)C)C4)c2)cc1\n",
      "Cc1ccc(/C=C/C(=O)NC2=NCCS2)cc1\n",
      "c1ccc(-c2cn3c4ccccc4n(CCN4CCOCC4)c3n2)cc1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(C#CCN(C)C)cnc2O[C@H]1CN(C)Cc1cccc(F)c1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2O[C@H](C)CCCCO[C@@H]1CN(C)C(=O)Nc1ccccc1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O[C@H]1CN(C)CC1CCCCC1\n",
      "C[C@H]1CCCCO[C@H](CN(C)CC2CCCCC2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NS(C)(=O)=O)ccc2O1\n",
      "C=CC[C@@]12N=C(c3ccc(OCCCO)cc3)O[C@@H]1c1ccccc1CN(CCS(=O)(=O)c1ccccc1)C2=O\n",
      "Cc1ccccc1CN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)C(C)(C)N2C1=O\n",
      "CC(=O)Oc1cc(C(F)(F)F)ccc1C(=O)O\n",
      "O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)c2ccccc2F)O1)NCc1ccccc1\n",
      "CC(C)n1cnc2c(NCc3ccccc3)nc(NCCO)nc21\n",
      "COc1cc(OC)c(NC(=O)Nc2cc(C)on2)cc1Cl\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)Cc1ccc(-c3ccccc3)cc1)O2\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NS(=O)(=O)c3cccs3)c2O[C@H]1CN(C)Cc1ccc(Cl)c(Cl)c1\n",
      "CCOC(=O)CCc1cnccc1-c1cccc(OC)c1O\n",
      "NC(=O)N1c2ccccc2C=Cc2ccccc21\n",
      "C/C(=C\\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@@H]2CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1\n",
      "CCOC(=O)c1sc(SCc2ccccc2)c2c1CC(C)(C)CC2=O\n",
      "C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)C(=O)C1CCCCC1\n",
      "Nc1cc(Nc2ccc(S(N)(=O)=O)cc2)ncn1\n",
      "CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1\n",
      "COC(=O)c1sccc1S(=O)(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1\n",
      "C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccncc3)cc2O[C@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NS(=O)(=O)c3cccs3)cccc2C1=O\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "NC(=O)c1ccc(O)c2ncccc12\n",
      "CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OCN4C)CC1\n",
      "COC(=O)C(CC#Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](c2ccccc2OCCO)N2[C@H](c3ccccc3)[C@H](c3ccccc3)OC(=O)[C@H]2[C@@H]1C(=O)N1CCN(c2ncccn2)CC1)C(=O)OC\n",
      "CN(C)S(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1CC2\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(C#Cc3cccnc3)cnc2O[C@@H]1CN(C)Cc1ccc(F)cc1\n",
      "CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C#N)cc4)cc3)nc2n(CCC)c1=O\n",
      "CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1\n",
      "COc1c(C(C)C)oc2cc3oc(=O)ccc3cc12\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(-c3ccccc3F)cnc2O[C@H]1CN(C)Cc1cccc(F)c1\n",
      "Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(F)cc2)Oc2cc(C3=CCCC3)ccc2S1(=O)=O\n",
      "C[C@@H]1ON(c2ccccc2)[C@H](c2ccccc2)[C@H]1C(=O)O\n",
      "CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21\n",
      "CN1C(=O)c2cc(NC(=O)Cc3cccs3)ccc2OC[C@@H]2O[C@@H](CC(=O)N[C@H]3CCN(Cc4ccccc4)C3)CC[C@H]21\n",
      "CC1=C(NC(=S)NC(=O)c2ccccc2)NCc2ccccc21\n",
      "Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)S(=O)(=O)c1ccccc1)OCCCC[C@H](C)O2\n",
      "CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O\n",
      "C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)C(=O)C1CCC1\n",
      "Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O\n",
      "CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1\n",
      "COC(=O)c1ccc2c(c1)nc(NC(=O)c1ccccc1)n2CCCc1ccccc1\n",
      "COC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4cccc(Cl)c4)cc3C(=O)N2C)O1\n",
      "Oc1nc(SCc2ccc(OC(F)(F)F)cc2)nc2c1CCC2\n",
      "COCC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@H]2C1\n",
      "COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CCN(S(=O)(=O)c2ccccc2)CC1\n",
      "N#C[C@H]1[C@@H](c2ccc(-c3cccc(F)c3)cc2)[C@H](CO)N1C(=O)CN1CCOCC1\n",
      "C[C@H]1CCCCO[C@@H](CN(C)C(=O)CCC(F)(F)F)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCC(F)(F)F)ccc2O1\n",
      "CN(C)C(=O)c1ccc(-c2cccc(-c3nc(C(=O)NC4CCCCC4)cc4c3[C@@H](CCO)N([S@](=O)C(C)(C)C)C4)c2)cc1\n",
      "Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C\n",
      "C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O[C@@H]1CN(C)CC1CCCCC1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc(NS(C)(=O)=O)cc2C1=O\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccccc2)Oc2cc(C3=CCCCC3)ccc2S1(=O)=O\n",
      "CC(C)(C)OC(=O)CC[C@@]12N=C(c3ccc(OCCCO)cc3)O[C@@H]1c1ccccc1CN(CCS(=O)(=O)c1ccccc1)C2=O\n",
      "O=S(=O)(c1cccc2cnccc12)N1CCNCC1\n",
      "O=C(Nc1ccc(N2CCCCC2)cc1)c1ccncc1\n",
      "Cc1cccc(N2CCN(C(=O)c3cc(S(=O)(=O)N(C)C)ccc3N3CCCC3)CC2)c1C\n",
      "C[C@@H](O)[C@@H](O)[C@@H](O)C/C=N/NC(=O)CCCCCC(=O)Nc1ccccc1O\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2O[C@H](C)CCCCO[C@@H]1CN(C)Cc1ccccc1\n",
      "OCc1cc2ncnc(Nc3ccc(O)cc3)c2cc1CO\n",
      "O=P(O)(O)C(Cl)(Cl)P(=O)(O)O\n",
      "O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1ccccc1O\n",
      "CN1CCN(C(=O)C[C@@H]2CC[C@@H]3[C@H](COC[C@@H](O)CN3Cc3cccc(F)c3)O2)CC1\n",
      "C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5cn[nH]c5)cc4c32)ccc1C\n",
      "COCCCCC(=NOCCN)c1ccc(C(F)(F)F)cc1\n",
      "CSc1ncc(CNc2cc([N+](=O)[O-])ccc2C)c(N)n1\n",
      "COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1\n",
      "CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1\n",
      "O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)CCCN(C)C)ccc2O[C@H](C)CCCCO[C@@H]1CN(C)S(=O)(=O)c1ccccc1\n",
      "COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CN(C(=O)Nc2ccc3c(c2)OCO3)C1\n",
      "N#Cc1cccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(C(=O)Nc5cccc(F)c5)C[C@@H]34)cc2)c1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(-c3ccc(C#N)cc3)cnc2O[C@H]1CN(C)CC1CCCCC1\n",
      "N#CC(=Cc1ccc(O)c(O)c1)C(=O)NCCCc1ccccc1\n",
      "O=C(CCCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)Nc1ccc(C(=O)O)c(O)c1\n",
      "C[C@H]1CCCCO[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3cn(C)cn3)ccc2O1\n",
      "CCC(CC)(CC(=O)Nc1cccc(C=Cc2nc(C3CCC3)cs2)c1)C(=O)O\n",
      "O=C(OCC#CCSc1nnc(-c2cccc3ccccc23)o1)c1ccccc1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)c3nc4ccccc4s3)c2O[C@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1\n",
      "CC(C)C[C@H]1C(=O)N2CCC[C@@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@@H]4N(C)C3)(C(C)C)C(=O)N12\n",
      "CS(=O)(=O)/C(C#N)=C/c1cccn1S(=O)(=O)c1cccc2ccccc12\n",
      "CC(=O)N(C)C[C@H]1[C@H](c2ccc(C3=CCCCC3)cc2)[C@H](CO)N1CC1CC1\n",
      "O=C(O)c1ccc(-c2noc(-c3cccc(C(F)(F)F)c3)n2)cc1\n",
      "COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COc1cc(=O)n3cccc(OCCN4CCCCC4)c3n1)C2=O\n",
      "Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O\n",
      "C[C@H]1CCCCO[C@H](CN(C)CC2CCCCC2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O1\n",
      "O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccccc2F)O1)N1CCc2ccccc2C1\n",
      "Cn1c2cc(Br)sc2c2cnn(Cc3ccc(F)cc3F)c(=O)c21\n",
      "Cc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(S(=O)(=O)c5ccccc5F)C[C@H]34)cc2)c1\n",
      "NS(=O)(=O)c1ccc(NC2=CC(=O)c3ccccc3C2=O)cc1\n",
      "COc1ccc(-c2cc3nc(C)cc(N4CCN(C(=O)c5ccco5)CC4)n3n2)cc1\n",
      "COc1ccccc1S(=O)(=O)N(C)C[C@H]1Oc2cc(C#CCC3CCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C\n",
      "Cc1ccccc1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C#N)CC(=O)O)C(C)(C)C\n",
      "O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)c(Cl)c1)Nc1ccc2c(c1)CCC2\n",
      "CC1=Nc2ccc(Cl)cc2S(=O)(=O)N1\n",
      "COc1ccc(NC(=O)N[C@H]2CC[C@H](CC(=O)NC3CCC3)O[C@@H]2CO)cc1\n",
      "CC(C)NC(=O)N(C)C[C@H]1OCCCC[C@H](C)Oc2ccc(NC(=O)C3CCCCC3)cc2C(=O)N([C@H](C)CO)C[C@H]1C\n",
      "COc1ccccc1N(N=C1Sc2ccccc2C1=O)C(C)=O\n",
      "O=C(OCC#CCSc1nnc(-c2cccc3ccccc23)o1)c1ccc(Br)cc1\n",
      "COc1ccc([Si](C)(C)[C@H]2[C@H](CCn3cc(CCO)nn3)O[C@@]3(C(=O)N(C)c4c(Br)cc(C)cc43)[C@@H]2C)cc1\n",
      "O=C(C[C@@H]1C/C=C/CCC(=O)N[C@@H]2c3ccccc3C[C@@H]2OC1=O)NCc1ccc(Cl)cc1\n",
      "COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1\n",
      "COc1ccc(OC)c(N2C(=O)C(Cl)=C(N3CCCCC3)C2=O)c1\n",
      "COC(=O)c1ccc(CN2CC(=O)N3[C@H](C2)[C@@H](c2ccc(Br)cc2)[C@@H]3CO)cc1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2cncnc2)Oc2cc(C3=CCCC3)ccc2S1(=O)=O\n",
      "O=c1/c(=C/c2ccccc2Cl)sc2nc3cc(Br)cnc3n12\n",
      "C#CCN(C)CCCOc1ccc(Cl)cc1Cl\n",
      "O=C1[C@H](Cc2ccc(O)cc2)N2C(=O)CCN(C(=O)NCc3ccccc3)[C@H]2CN1Cc1cccc2ccccc12\n",
      "COCC(=O)NC[C@H]1N[C@H](CO)[C@@H]1c1ccc(-c2ccccc2F)cc1\n",
      "COc1ccccc1NC(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1\n",
      "O=C(OCC#CCSc1nnc(-c2cccc3ccccc23)o1)c1ccc(C(F)(F)F)cc1\n",
      "CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H](CN1CCCC1)c1ccccc1\n",
      "C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2Cl)c1\n",
      "Clc1ccccc1-c1ccc2ncnc(NCc3cccnc3)c2c1\n",
      "O=C(Cc1ccc2c(c1)OCO2)N1CCC(n2nc(-c3ccccc3)oc2=O)CC1\n",
      "OCCn1cc(-c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cn1\n",
      "CC(C)(C)NC[C@@H](O)COc1cccc2c1CCCC2=O\n",
      "CSc1cccc(NC(=O)CCCOc2cc(=O)n(C)c3ccccc23)c1\n",
      "C/C=C/c1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)S(=O)(=O)c1ccccc1)O2\n",
      "CN(C)Cc1cccc(N/C(=C2\\C(=O)Nc3cc(C(=O)N(C)C)ccc32)c2ccccc2)c1\n",
      "C[C@H]1CCCCO[C@@H](CN(C)Cc2ccc3c(c2)OCO3)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(N(C)C)ccc2O1\n",
      "CCCCc1cc2ccccc2c(OCCN(C)C)n1\n",
      "CCn1cc(C(=O)O)c(=O)c2cc3c(cc21)OCO3\n",
      "CC(C)ON([C@@H](C(=O)NO)C(C)C)S(=O)(=O)c1ccc(-c2ccccc2)cc1\n",
      "c1ccc2c(Oc3nc(Nc4ccc(N5CCOCC5)cc4)c4ncn(C5CCCCC5)c4n3)cccc2c1\n",
      "O=C(C[C@H]1C=C[C@@H](NC(=O)Cc2cccnc2)[C@H](CO)O1)Nc1ccccc1\n",
      "CN1C(=O)c2cc(NC(=O)c3ccc(F)c(F)c3)ccc2OC[C@@H]2O[C@H](CC(=O)N[C@H]3CCN(Cc4ccccc4)C3)CC[C@@H]21\n",
      "CN(C)CCCCCCNC(=O)[C@@H]1C[C@@H]2C(=O)NCC(=O)N2[C@@H]1c1cccc(OCCO)c1\n",
      "CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cc(F)ccc3F)ccc2OC[C@@H](C)NC[C@H]1C\n",
      "C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)C(=O)CC1CC1\n",
      "CC1(C)S[C@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCNC3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O\n",
      "COc1ccc(CN(C)C[C@H]2OCCCC[C@H](C)Oc3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1\n",
      "Cc1ccc(S(=O)(=O)N2C[C@H](O)COC[C@H]3O[C@@H](CC(=O)NCc4ccc(Cl)c(Cl)c4)CC[C@@H]32)cc1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O[C@H](C)CCCCO[C@@H]1CN(C)C(=O)c1ccccc1\n",
      "CNC(=O)CCc1nc(-c2ccc(C(C)(C)C)cc2)no1\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(=O)CCC(F)(F)F)OCCCC[C@H](C)O2\n",
      "O=C(OCCOCCO)c1ccccc1Nc1cccc(C(F)(F)F)c1\n",
      "O=C(NNC(=O)c1cc2ccccc2[nH]1)OCc1ccccc1\n",
      "C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO\n",
      "CN/C(=C\\[N+](=O)[O-])NCCSCc1csc(CN(C)C)n1\n",
      "C[C@H]1CCCCO[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2O1\n",
      "CCCN(C)C[C@H]1OCCCC[C@@H](C)Oc2ccc(NC(=O)C3CCCCC3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C\n",
      "Oc1c(CN2CCCC2)cc(COCc2ccccc2)c2cccnc12\n",
      "CCN(C[C@@H]1N[C@@H](CO)[C@H]1c1ccccc1)C(=O)c1ccncc1\n",
      "Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)CC2CCCCC2)OCCCC[C@@H](C)O3)cc1\n",
      "Cc1ccccc1S(=O)(=O)N1CCCCN2[C@H](C1)[C@@H](c1ccc(C#CCN(C)C)cc1)[C@@H]2CO\n",
      "CC(=O)NCCc1c[nH]c2ccccc12\n",
      "N#Cc1ccc(Oc2cccnc2)cc1C#N\n",
      "Cc1ccc(S(=O)(=O)N2CCN(c3nc(-c4cccs4)nc4ccccc34)CC2)cc1\n",
      "C/C=C/c1ccc([C@H]2[C@@H](CO)N(CCC)[C@@H]2CN(CC)C(=O)c2ccccn2)cc1\n",
      "O=C(CNc1cccc([N+](=O)[O-])c1)N/N=C/c1ccc([N+](=O)[O-])o1\n",
      "Cc1c[nH]c2ccccc12\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "C[C@@H](NCCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12\n",
      "COCc1cn(CC[C@@H]2CC[C@@H](NC(=O)Nc3ccc(C(F)(F)F)cc3)[C@@H](CO)O2)nn1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)c2O[C@@H]1CN(C)CC1CC1\n",
      "Cc1ccccc1S(=O)(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#CCN(C)C)cc3)[C@@H]2C1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)c2O[C@@H]1CN(C)S(=O)(=O)c1ccc(Cl)cc1\n",
      "NCCCNCCSP(=O)(O)O\n",
      "Cc1cccc(C)c1NC(=O)c1ccc(-c2cc(F)ccc2F)o1\n",
      "OC[C@@H]1[C@@H](c2ccc(-c3cccnc3)cc2)[C@H]2CN(Cc3ccccn3)CCCCN12\n",
      "C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)O\n",
      "O=[N+]([O-])c1cnc(Sc2nnc(O)n2-c2ccc3c(c2)OCCO3)s1\n",
      "O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12\n",
      "CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1\n",
      "Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)O3)cc1\n",
      "OCCNc1nc(Nc2ccc(Cl)cc2)nc(N2CCCC2)n1\n",
      "C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O\n",
      "COCC(=O)N1[C@H](C(=O)NCc2ccccc2)[C@@H](CO)[C@@H]2Cn3c(cccc3=O)[C@@H]21\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)c1ccncc1)OCCCC[C@@H](C)O2\n",
      "Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1\n",
      "COc1ccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(C(=O)Cc5ccncc5)C[C@H]34)cc2)cc1\n",
      "O=C1c2ccccc2[C@](Cc2ccccc2I)(C(=O)NCC(F)(F)F)[C@H](c2ccc(CO)cc2)N1Cc1ccccc1C(F)(F)F\n",
      "O=C(Cc1ccccc1)NO\n",
      "Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C\n",
      "Cc1ccc(C(=O)Oc2coc(CSc3ncccn3)cc2=O)cc1[N+](=O)[O-]\n",
      "CC[C@@H]1/C=C/C=C/C[C@H](C)[C@@H](O)[C@](C)(O)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C(=O)O[C@@H]2[C@@H](C)[C@H](CC1)O[C@]1(CC[C@@H](C)[C@@H](C[C@@H](C)O)O1)[C@@H]2C\n",
      "CN(C/C=C/c1ccccc1)Cc1cccc2ccccc12\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)c3ccncc3)c2O[C@H]1CN(C)Cc1ccccc1\n",
      "C[C@H]1CCCCO[C@@H](CN(C)C(=O)Nc2ccccc2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2O1\n",
      "Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccc([N+](=O)[O-])cc3)co2)n1\n",
      "Nc1nc(N)nc(-c2cc(Cl)ccc2Cl)n1\n",
      "COc1ccccc1C#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1ccccc1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O\n",
      "CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12\n",
      "COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1OCCOCCN(C)C\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O[C@@H]1CN(C)Cc1ccc(Cl)c(Cl)c1\n",
      "O=C(Nc1ccccc1)N[C@H]1C[C@H](C(=O)O)Nc2cc(Cl)cc(Cl)c21\n",
      "COc1cccc(-c2ccc3ncnc(NCc4cccs4)c3c2)c1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)Nc3cccc4ccccc34)c2O[C@@H]1CN(C)C(=O)Nc1ccccc1\n",
      "O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O\n",
      "CCN(C[C@H]1N[C@@H](CO)[C@@H]1c1ccc(C2=CCCC2)cc1)C(=O)c1cccnc1\n",
      "Cc1noc(C)c1NC(=O)N(C)C[C@@H]1OCc2ccccc2-c2c(n(C)c3ccccc23)C(=O)N([C@@H](C)CO)C[C@H]1C\n",
      "O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(S(=O)(=O)c2c(F)cc(F)cc2F)CC1\n",
      "COc1ccccc1NC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cccc(C#N)c4)cc3)[C@H]2C1\n",
      "Cc1ccc(/C=C2/CNC/C(=C\\c3ccc(C)cc3)C2=O)cc1\n",
      "Clc1cccc(C=NC=Nc2cccc(Cl)c2)c1\n",
      "COc1cccc(NC(=O)N2CC(=O)N3[C@@H](CO)[C@H](c4ccc(C#CCC5CCCC5)cc4)[C@@H]3C2)c1\n",
      "CC(C)NC(=O)N(C)C[C@@H]1OCCCC[C@@H](C)Oc2ccc(N(C)C)cc2C(=O)N([C@H](C)CO)C[C@@H]1C\n",
      "CC(=O)c1cccc(NC(=O)c2cnn3c(C)cc(C)nc23)c1\n",
      "CN(C)CC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O\n",
      "N#Cc1cccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(C(=O)Cc5ccncc5)C[C@@H]34)cc2)c1\n",
      "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)CC2CCCCC2)Oc2c(NC(=O)c3cnccn3)cccc2C1=O\n",
      "C[C@@H]1CCCCO[C@@H](CN(C)S(=O)(=O)c2ccccc2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)CCCN(C)C)ccc2O1\n",
      "Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O\n",
      "Cc1cc(OC(=O)N2CCCCC2)c(C(C)C)cc1[N+](C)(C)C\n",
      "C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)C(=O)C1CCCCC1\n",
      "CCCN(C)C[C@H]1Oc2ncc(-c3cccnc3)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C\n",
      "NC(=O)C1CCN(c2nc(-c3ccc4c(c3)OCCCO4)cs2)CC1\n",
      "O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccc(C(F)(F)F)cc2)O1)NCCc1ccccc1\n",
      "NC(=O)[C@@H]1[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@H](c2ccc(O)cc2)[C@@]12C(=O)Nc1ccccc12\n",
      "O=C(OCC#CCSc1nnc(-c2ccc(F)cc2)o1)c1ccc(F)cc1\n",
      "O=C(O)CSc1c[nH]c2ccccc12\n",
      "C[C@H]1C(S[C@@H]2CN[C@H](C(=O)N(C)C)C2)=C(C(=O)O)N2C(=O)[C@@H]([C@@H](C)O)[C@@H]12\n",
      "COc1ccc(CN(C)C[C@@H]2OCCCC[C@H](C)Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(C3=CCCCC3)cnc2O[C@@H]1CN(C)Cc1cccc(F)c1\n",
      "C[C@H]1CCCCO[C@@H](CN(C)C)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2O1\n",
      "O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@@H]2[C@@H](CO)O1)NCc1cccc(F)c1\n",
      "CNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccc(Cl)c(Cl)c2)O1\n",
      "O=C(c1cccs1)C1CCN(c2ncnc3sccc23)CC1\n",
      "CC(C)(C)CCNc1nc(-c2ccccn2)nnc1-c1ccccc1\n",
      "COc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccccc2)O3)cc1\n",
      "O=C(c1ccc2c(c1)OCO2)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2cncnc2)cc1\n",
      "Cn1cc(C(=O)Cc2ccccc2)cc1/C=C/C(=O)NO\n",
      "C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC\n",
      "C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(C#N)cc3)cc2O[C@H]1CN(C)CC1CC1\n",
      "O=C(CCCCCCC(=O)N/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)NO\n",
      "COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCO\n",
      "CCCc1c(OCCCCc2nnn[nH]2)ccc(C(C)=O)c1O\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CCCCC2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2C1=O\n",
      "COc1ccsc1S(=O)(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1\n",
      "CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C=O)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1\n",
      "COc1cc(/C=C/C(=O)N2CCC=C(C#Cc3ccccc3F)C2=O)cc(OC)c1OC\n",
      "Cc1ccsc1C=CC1=NCCCN1C\n",
      "CCOC(=O)Nc1cccc(NC(=O)c2cc(OC)cc(OC)c2)c1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O[C@H]1CN(C)CC1CCCCC1\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc1ccc(C(=O)Nc3ccccc3N)cc1)O2\n",
      "CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21\n",
      "N#Cc1ccc(-c2ccc([C@H]3[C@H](CO)N4C(=O)CN(C(=O)C5CCCCC5)C[C@@H]34)cc2)cc1\n",
      "C(=Cc1ccccc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)Nc3ccc(F)cc3)c2O[C@@H]1CN(C)Cc1ccc(Cl)c(Cl)c1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)c3ccc(-c4nccs4)cc3)c2O[C@H]1CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1\n",
      "CC(C)(C)[S@](=O)N1Cc2cc(C(=O)NCc3ccccc3F)nc(-c3cccc(-c4cccnc4)c3)c2[C@@H]1CCO\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)CCCN(C)C)ccc2O[C@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1\n",
      "Cc1ccc(CNc2ncnc3ccc(-c4ccoc4C)cc23)o1\n",
      "NC(=O)C1CCN(c2nc(-c3ccc(OCc4ccccc4)cc3)cs2)CC1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O[C@H]1CN(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1\n",
      "C[C@H]1CCCCO[C@H](CN(C)S(C)(=O)=O)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O1\n",
      "C[N+](C)(C)CCOC(N)=O\n",
      "Cc1cscc1-c1ccc(C(=O)Nc2c(C)cccc2C)o1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2CC1=O\n",
      "COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CCN(C(=O)c2ccccc2)CC1\n",
      "O=C(CCCCCCC(=O)N/N=C/c1ccccc1[N+](=O)[O-])NO\n",
      "CCN(CC)CCNC(=O)c1ccc(N)cc1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)C3CCOCC3)cccc2C1=O\n",
      "CC(=O)N[C@@H](CSC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CCC=C(C)C)C(=O)O\n",
      "COC(=O)[C@@H]1N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1N=[N+]=[N-]\n",
      "O=C(NC[C@H]1[C@H](c2ccccc2)[C@H](CO)N1Cc1cccnc1)c1ccccn1\n",
      "COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O\n",
      "C[C@H]1CCCCO[C@H](CN(C)S(=O)(=O)c2ccc(F)cc2)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2O1\n",
      "Cc1ccc(NC(=O)CCC(=O)NN=Cc2ccc(C)o2)c(C)c1\n",
      "Cc1nc(N2CCN(C(=O)c3cccs3)CC2)c2c3c(sc2n1)CCCC3\n",
      "COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1\n",
      "COc1ccc(OC)c(CCNC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)CCS3)c1\n",
      "CC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)C(Cl)(Cl)C(=O)N4)CC2)cc1\n",
      "O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)c2cccnc2)O1)Nc1ccc(-c2ccccc2)cc1\n",
      "Cc1ccc(S(=O)(=O)NC(=O)COc2cccc3ccccc23)c(C)c1\n",
      "CCCc1cc(C(=N)S)ccn1\n",
      "CNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccc(Cl)c(Cl)c2)O1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(C#Cc3ccncc3)cnc2O[C@@H]1CN(C)CC1CCCC1\n",
      "COc1ccc(C)cc1NC(=O)c1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1\n",
      "Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O\n",
      "CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@H]4CN(S(=O)(=O)Cc5ccccc5)C[C@@H]3N4)cc2)cc1\n",
      "O=C(Nc1sc2c(c1C(=O)NCc1ccco1)CCC2)c1sc2ccccc2c1Cl\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "CCOC(=O)c1ccc(N)cc1\n",
      "c1ccc(CN2CCN(c3ncnc4sccc34)CC2)cc1\n",
      "CSc1nc(NC2CCCC2)c([N+](=O)[O-])c(NC2CCCC2)n1\n",
      "C/C=C/c1ccc([C@H]2[C@H]3CN(C(=O)Nc4ccc(F)cc4)CCCCN3[C@H]2CO)cc1\n",
      "NCCCC(O)(P(=O)(O)O)P(=O)(O)O\n",
      "CSCC[C@H](NC(=O)c1ccc(NC[C@@H](N)CS)cc1-c1ccccc1)C(=O)O\n",
      "C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CCN(C)C)cc2O[C@H]1CN(C)Cc1ccccc1\n",
      "C=CCN1CCc2nc(N)sc2CC1\n",
      "O=C(C[C@H]1C[C@H]2c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1\n",
      "CCc1ccc(NC(=O)CCCOc2cc(=O)n(C)c3ccccc23)cc1\n",
      "CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC\n",
      "CCCCOc1cccc2c(=O)n(CC(=O)Nc3ccc4c(c3)OCCO4)ccc12\n",
      "Nc1nc(S)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1\n",
      "CN(C)CC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)C4CC4)CCCCN3[C@H]2CO)cc1\n",
      "COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)Nc1c(C)noc1C)CC31CN(CC2CCOCC2)C1\n",
      "O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2cccc(C(F)(F)F)c2)O1)NCCc1ccncc1\n",
      "CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12\n",
      "COc1ccccc1-c1ccc2c(c1)[C@H]1[C@H](CCN1C(=O)C1CCCC1)[C@H](CO)N2\n",
      "Fc1c(-c2ccc3ncnc(NCc4cccs4)c3c2)ccc2c1OCO2\n",
      "CNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccc(Cl)c(Cl)c2)O1\n",
      "CN1C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@@H]2O[C@@H](CC(=O)NC3CCCC3)CC[C@@H]21\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O\n",
      "COCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)c2cc(Cl)cc(Cl)c2)O1\n",
      "COc1ccc(NC(=O)N(C)C[C@H]2Oc3c(NC(=O)c4cc(C)nn4C)cccc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1\n",
      "C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(C#N)cc3)cc2O[C@H]1CN(C)CC1CC1\n",
      "C[C@H](O)C(=O)Nc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I\n",
      "CCCCC(=O)Nc1cccc(NC(=O)c2ccccc2Br)c1\n",
      "C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@@H]1CN(C)C(=O)Cc1cccnc1\n",
      "c1cc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4CC3CCCCC3)cc2)ccn1\n",
      "CCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2C1=O\n",
      "CN1CCC(=C2c3ccccc3CCc3sccc32)CC1\n",
      "N#Cc1cccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)c5cccnc5)C[C@@H]3N4)cc2)c1\n",
      "Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)CC2CCCCC2)OCCCC[C@H](C)O3)cc1\n",
      "COc1ccc(-c2cnc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc2ccccc2)O3)cc1\n",
      "Cn1nnnc1Sc1ncnc2scc(-c3cccc(F)c3)c12\n",
      "C[C@H]1CCCCO[C@H](CN(C)C(=O)Nc2cccc3ccccc23)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(N(C)C)ccc2O1\n",
      "CON=C(C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@H]12)c1csc(N)n1\n",
      "Cc1ccc(OCCn2c(CCNC(=O)C3CCCCCC3)nc3ccccc32)cc1\n",
      "C[C@H]1CCCCO[C@@H](CN(C)S(=O)(=O)c2ccc(F)cc2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2O1\n",
      "c1ccc2c(c1)[nH]c1nc(SCCN3CCCCC3)nnc12\n",
      "COc1cc2ncc(-c3ccccc3)nc2cc1OC\n",
      "C[C@H]1CCCCO[C@@H](CN(C)C(=O)CCCN(C)C)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O1\n",
      "O=C(N1CCCC1)n1cc(-c2ccc(-c3ccccc3)cc2)nn1\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)CC1CCCCC1)OCCCC[C@@H](C)O2\n",
      "O=C(Cn1c2ccccc2c2nc3n(c(=O)c21)CCS3)NCCc1ccc(Cl)cc1\n",
      "NCc1ccccc1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)C3CC3)ccc2O[C@@H]1CN(C)C\n",
      "CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1\n",
      "O=C(Nc1cccnc1)c1ccc(F)cc1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)c3ccc(-c4nccs4)cc3)c2O[C@H]1CN(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1\n",
      "COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CCN(C(=O)c2ccc(F)cc2)CC1\n",
      "CCC(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#Cc3cccnc3)cc1)[C@@H]2CO\n",
      "CCCN1[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NC1Cc2ccccc2C1\n",
      "CCCCCCCCCCCCCC(=O)N[C@H](C)[C@@H](O)c1ccccc1\n",
      "CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)NCC(=O)O\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccccc2F)Oc2cc(C#CCN(C)C)ccc2S1(=O)=O\n",
      "Nc1ccc(/N=N/c2ccccc2)c(N)n1\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)CC1CCCCC1)OCCCC[C@H](C)O2\n",
      "CC1CCN(C(=O)Cn2c3ccc(F)cc3c3nc4n(c(=O)c32)CCCS4)CC1\n",
      "CN1CC[C@@]2(C)c3cc(O)ccc3N(C)[C@H]12\n",
      "CN(C)c1cccc(-c2nccc(N3CCC(C(N)=O)CC3)n2)c1\n",
      "N#Cc1cccc(-c2ccc([C@H]3[C@H]4CN(Cc5ccccc5)C[C@@H]3N4)cc2)c1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Cc3cn(C)c4ccccc34)ccc2O[C@@H]1CN(C)Cc1ccncc1\n",
      "Oc1nc(SCc2ccc(Cl)cc2)nc2c1CCC2\n",
      "O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3F)cc2)SC(=S)N1CCS(=O)(=O)O\n",
      "Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@H](C)O2\n",
      "CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NCc3ccncc3)nc(-c3cccc(-c4cccc(C#N)c4)c3)c2[C@H]1CCO\n",
      "OC[C@@H]1[C@H](c2ccc(-c3cccnc3)cc2)[C@@H]2CN(CC3CCOCC3)CCCCN12\n",
      "C[C@H]1CCCCO[C@@H](CN(C)S(=O)(=O)c2ccc(F)cc2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2O1\n",
      "CN(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccc(F)cc4)C[C@@H]23)cc1\n",
      "CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1\n",
      "O=[N+]([O-])c1ccc(CN2CCOCCOCCN(Cc3ccc([N+](=O)[O-])cc3Cl)CCOCC2)c(Cl)c1\n",
      "O=C(c1cccs1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1\n",
      "Oc1ccc(-c2c(-c3ccccc3)nn3c(C(F)(F)F)cc(C(F)(F)F)nc23)cc1\n",
      "COc1cc2ccc(=O)oc2c(O)c1O\n",
      "Cc1ccc(C)c(OCCn2cc(C(=O)O)c3ccccc32)c1\n",
      "OCc1cccnc1\n",
      "O=C(OCC#CCSc1nnc(-c2cccc3ccccc23)o1)c1ccc(OC(F)F)cc1\n",
      "O=S(=O)(c1cccc2cnccc12)N1CCCNCC1\n",
      "O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1I\n",
      "CO[C@@H](CN(C)Cc1cc(F)ccc1F)[C@@H](C)CN([C@H](C)CO)S(=O)(=O)c1ccc(F)cc1\n",
      "COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@H]13)OCO4\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)Nc3ccc(F)cc3)c2O[C@H]1CN(C)S(=O)(=O)c1ccc(Cl)cc1\n",
      "O=C(CCCCCCSc1ccc2ccccc2c1)NO\n",
      "COCCn1c2c([n+](Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O\n",
      "CNC[C@@H]1Oc2cc(-c3ccccc3OC)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C\n",
      "CC1=C(/C=C/C(C)=C/C=C/C(C)=C\\C(=O)O)C(C)(C)CCC1\n",
      "CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@@]21C\n",
      "Cc1ccc(S(=O)(=O)N(C)C[C@H]2OCCCC[C@@H](C)Oc3ccc(NC(=O)Nc4ccccc4)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1\n",
      "CNC1=NC(=O)/C(=C\\c2cc(C)n(-c3ccccc3F)c2C)S1\n",
      "CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1\n",
      "O=C1NC(=O)C(c2ccccc2[N+](=O)[O-])=C1Nc1ccc(O)c(Cl)c1\n",
      "CO[C@]12C[C@@H](COC(=O)c3cncc(Br)c3)CN(C)[C@@H]1Cc1cn(C)c3cccc2c13\n",
      "Cc1c(N(C)CS(=O)(=O)O)c(=O)n(-c2ccccc2)n1C\n",
      "CC(C)(Cc1c[nH]c2ccc(Cl)cc12)NCCOc1ccccc1OCC1CC1\n",
      "CCOC(=O)C[C@@H](C#N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(N)c(Cl)c1)C(C)(C)C\n",
      "CCCNC(=O)N1[C@H](CO)[C@H](c2ccc(C3=CCCCC3)cc2)[C@@H]1C#N\n",
      "O=C1c2ccccc2-c2cccc3cccc1c23\n",
      "CC(C)NC(=O)N[C@@H]1C=C[C@H](CC(=O)NC2Cc3ccccc3C2)O[C@H]1CO\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)Nc3ccc(F)cc3)ccc2O[C@H]1CN(C)CC1CC1\n",
      "Cc1ccc(NC(=O)CN2C(=O)N/C(=C\\c3ccco3)C2=O)cc1\n",
      "c1ccc(-c2cccc(CNc3nc(-c4ccccn4)nnc3-c3ccccc3)c2)cc1\n",
      "COCC(=O)NC/C=C/c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1\n",
      "CCCNC(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#Cc3cccc(OC)c3)cc1)[C@@H]2CO\n",
      "COc1cc(/C=C/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)ccc1O\n",
      "COc1cccc(-c2ccc3ncnc(NCc4cccc(C)c4)c3c2)c1\n",
      "O=C(OCC#CCSc1nnc(-c2c[nH]c3ccccc23)o1)c1ccc(F)cc1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C1=O\n",
      "CC(C)COc1ccc(-c2csc(N3CCC(C(N)=O)CC3)n2)cc1\n",
      "NC(=O)[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21\n",
      "CNC[C@H]1Oc2cc(-c3ccccc3F)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C\n",
      "C[C@H]1CCCCO[C@@H](CN(C)C(=O)CCC(F)(F)F)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2O1\n",
      "COC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3cnn(C4CCN(C(=O)OC)CC4)c3n2)cc1\n",
      "COc1cccc(-c2nc(OC(C)C)c3ccccc3n2)c1\n",
      "O=S(=O)(NCCCCCNS(=O)(=O)c1c(F)cccc1F)c1ccc2c(c1)OCCO2\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(C#CC3CCCCC3)cnc2O[C@H]1CN(C)C(=O)C1CCCCC1\n",
      "O=[N+]([O-])c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1\n",
      "COc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)O3)cc1\n",
      "c1ccc(COCCCc2cnc[nH]2)cc1\n",
      "Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)CC2CCCCC2)OCCCC[C@H](C)O3)cc1\n",
      "C=C1CC[C@H](O)C/C1=C/C=C1\\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)(C)O\n",
      "CC(C)NC[C@@H]1[C@@H](c2ccc(C3=CCCCC3)cc2)[C@@H](CO)N1C(=O)CC1CC1\n",
      "C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)Cc1ccccc1\n",
      "O=C(Cn1cc(CNC(=O)C2CCCCC2)nn1)Nc1cc(C(F)(F)F)ccc1Cl\n",
      "CCCC#Cc1ccc2c(c1)O[C@H](CN(C)CC1CCOCC1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O\n",
      "c1nc2c(NC3CCCCC3)nc(Nc3ccc(N4CCOCC4)cc3)nc2[nH]1\n",
      "COC(=O)NN=Cc1c[n+]([O-])c2ccccc2[n+]1[O-]\n",
      "COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)/C=C/c1ccc(O)cc1\n",
      "COc1ccc(NC(=O)N2CCCCN3[C@@H](CO)[C@H](c4ccc(C#Cc5ccccn5)cc4)[C@@H]3C2)cc1\n",
      "CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2OC[C@@H](C)N(CC2CC2)C[C@H]1C\n",
      "COc1ccc(Nc2nc(N)nc(CN3CCCCC3)n2)cc1\n",
      "COc1ccc(/N=c2\\cc(-c3ccc(OC)cc3)oc3ccc(O)cc23)cc1\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)CC1CC1)O2\n",
      "O=c1cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[nH]c(=O)n1C1CCCCC1\n",
      "Cn1nnnc1Sc1ncnc2scc(-c3ccc(Br)cc3)c12\n",
      "C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO\n",
      "O=C(O)[C@]1(CCCCCCOc2ccc(Cl)cc2)CO1\n",
      "CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cccc(F)c3)ccc2OC[C@H](C)N(C(=O)Nc2c(C)noc2C)C[C@H]1C\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "c1ccc2c(CC3=NCCN3)cccc2c1\n",
      "Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc1ccc(C(F)(F)F)cc1)O2\n",
      "O=S(=O)(c1ccccc1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2CC1CCCC1\n",
      "Cn1ccc2cc(NC(=O)Nc3cccnc3)ccc21\n",
      "O=[N+]([O-])c1cccc2[nH]c(CNc3nc(N4CCOCC4)nc4c3ncn4-c3ccsc3)nc12\n",
      "Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21\n",
      "Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1C\n",
      "c1ccc2[nH]c(-c3cscn3)nc2c1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)CCC(F)(F)F)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O\n",
      "C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2O[C@H]1CN(C)CC1CC1\n",
      "O=S(=O)(NCCCCNS(=O)(=O)c1c(F)cccc1F)c1ccc2c(c1)OCCO2\n",
      "COc1nc(C)nc(Cl)c1NC1=NCCN1\n",
      "N#Cc1ccc(-c2ccc([C@H]3[C@H]4CN(Cc5cocn5)C[C@@H]3N4)cc2)cc1\n",
      "CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)Nc3cccc(OC)c3)cc2OC[C@@H]1C\n",
      "O=S(=O)(c1cccc2c(O)nccc12)N1CCCNCC1\n",
      "C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(C)=O)[C@@H](O)[C@H]1C(C)(C)CC[C@@H](O)[C@@]12C\n",
      "O=S(=O)(Cc1ccccc1)NCC[C@H]1CC[C@H](NS(=O)(=O)c2ccc(F)cc2)[C@@H](CO)O1\n",
      "Cc1ccc2c(Cl)c(C(=O)NCCCN3CCOCC3)sc2c1\n",
      "CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CCNC(C)=O)C(C)C)C(=O)N[C@]1(C)CCC/C=C\\CCC[C@](C)(C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCSC)NC1=O\n",
      "CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(Oc3ccccc3)cc2)[C@H](OC(=O)Nc2ccccc2-c2ccccc2)[C@H]1OC(=O)Nc1ccccc1-c1ccccc1\n",
      "COc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(CC2CC2)[C@H](C)CO3)c1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(C3=CCCCC3)cnc2O[C@@H]1CN(C)Cc1ccccc1\n",
      "Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1\n",
      "c1ccc2nc(N3CCNCC3)ccc2c1\n",
      "O=C1NCN(c2ccccc2)C12CCN(CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2\n",
      "COC(=O)Nc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)Nc3cccc4ccccc34)ccc2O[C@@H]1CN(C)CC1CC1\n",
      "COC(=O)c1c(OC)cc2c(c1C)Oc1c(Cl)c(OC(C)=O)c(Cl)c(C)c1C(=O)O2\n",
      "NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)c3nc4ccccc4s3)c2O[C@H]1CN(C)Cc1ccccc1\n",
      "COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CN(Cc2cc(F)ccc2F)C1\n",
      "CCCC(=O)N1CC2(C1)CN(C(=O)c1ccc(F)cc1)[C@H](CO)c1[nH]c3cc(OC)ccc3c12\n",
      "C=CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1cccc(C)c1\n",
      "COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)C(C)(C)N1C(=O)CCl\n",
      "NCCCCNS(=O)(=O)c1ccc2ccccc2c1\n",
      "CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21\n",
      "CC(C)[C@H]1c2ccc(F)cc2CC[C@@]1(CCN(C)CCCc1nc2ccccc2[nH]1)OC(=O)C1CC1\n",
      "CC1=CC(=O)c2ccccc2C1=O\n",
      "COc1cccc(-c2cccc(-c3nc(C(=O)NCC(F)(F)F)cc4c3[C@H](CCO)N([S@@](=O)C(C)(C)C)C4)c2)c1\n",
      "C[n+]1cc(C(O)(c2ccccc2)c2ccccc2)n2ccccc21\n",
      "Cc1cccc(CNc2ncnc3ccc(-c4cccnc4)cc23)c1\n",
      "O=C(OCC#CCSc1nnc(-c2ccccc2F)o1)c1ccc(F)cc1\n",
      "Cc1ccc(C)n1-c1cccc(-c2nn[nH]n2)c1\n",
      "O=C(NC[C@H]1N[C@H](CO)[C@@H]1c1ccc(-c2cncnc2)cc1)C1CCCCC1\n",
      "CC(C)(C)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc21\n",
      "CCCCC/C=C\\C/C=C\\C/C=C\\CCCCCCC(=O)NCCO\n",
      "COc1ccc2ccc(=O)oc2c1CC=C(C)C\n",
      "COc1cc(OC)c(C(=O)c2ccc(O)cc2)c(OC)c1\n",
      "O=C1N=C(NCc2cccs2)S/C1=C\\c1ccc2ncccc2c1\n",
      "Oc1cccc2cc(Nc3ccccc3)cnc12\n",
      "N#Cc1ccc(N=c2ssnc2Cl)cc1\n",
      "C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1)OCCCC[C@@H](C)O2\n",
      "O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@H]2[C@H](CO)O1)NCC1CC1\n",
      "N#Cc1c(Cc2cccc3ccccc23)n[nH]c1N\n",
      "Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc1ccc3c(c1)OCO3)OCCCC[C@H](C)O2\n",
      "CCCc1nc(C(C)(C)O)c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1\n",
      "C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cccc(C#N)c3)cc2O[C@@H]1CN(C)C(=O)C1CC1\n",
      "O=C(O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CC2)Oc2cc(-c3ccc(F)cc3)ccc2S1(=O)=O\n",
      "COc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3c(NC(=O)Nc4ccccc4)cccc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O[C@H](C)CCCCO[C@H]1CN(C)C(=O)Cc1ccccc1\n",
      "C[C@H](NC(=O)C[C@H]1CC[C@@H](NS(=O)(=O)c2cccc(F)c2)[C@@H](CO)O1)c1ccccc1\n",
      "O=C(c1ccccc1)c1cnn(-c2ccc(Cl)cc2)n1\n",
      "Cc1noc(C)c1S(=O)(=O)N(C)C[C@H]1Oc2c(NC(=O)c3cnccn3)cccc2C(=O)N([C@H](C)CO)C[C@H]1C\n",
      "C[C@@H]1CCCCO[C@@H](CN(C)Cc2ccc(C(=O)O)cc2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O1\n",
      "CCCC[C@@H](C)/C=C(C)/C=C(\\C)C(=O)NC1=C[C@@](O)(/C=C/C=C/C=C/C(=O)NC2C(=O)CCC2=O)[C@@H]2O[C@@H]2C1=O\n",
      "Retry on C[C@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)Nc3ccc(F)cc3)c2O[C@@H]1CN(C)Cc1ccc(Cl)c(Cl)c1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)Nc3ccc(F)cc3)c2O[C@@H]1CN(C)Cc1ccc(Cl)c(Cl)c1\n",
      "COC(=O)c1ccccc1NC(=O)c1ccc(F)cc1\n",
      "COc1ccc(-c2oc3cc(OC)ccc3c2C(=O)c2ccc(C#N)cc2)cc1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CC2)Oc2ccc(NC(=O)C3CCCCC3)cc2CC1=O\n",
      "O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1\n",
      "CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B(O)O\n",
      "Cl[Sn](c1ccccc1)(c1ccccc1)c1ccccc1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2O[C@H]1CN(C)Cc1ccc(C(=O)O)cc1\n",
      "CC(C)NC(=O)N(C)C[C@H]1Oc2c(NC(=O)Nc3cccc4ccccc34)cccc2C(=O)N([C@H](C)CO)C[C@H]1C\n",
      "Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1\n",
      "COc1ccc(OC)c(S(=O)(=O)ON2C(=O)c3ccccc3C2=O)c1\n",
      "C[C@@](Cc1ccc(O)c(O)c1)(NN)C(=O)O\n",
      "CCc1nnc2sc(-c3ccc(N)cc3)nn12\n",
      "C/C=C/c1ccc2c(c1)O[C@H](CN(C)Cc1ccccc1F)[C@H](C)CN([C@@H](C)CO)S2(=O)=O\n",
      "C[C@H]1CCCCO[C@@H](CN(C)C)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O1\n",
      "CCN(C[C@@H]1N[C@@H](CO)[C@H]1c1ccc(C2=CCCC2)cc1)C(=O)c1ccncc1\n",
      "O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(N2CCCC2=O)cc1\n",
      "CCCCC1(COC(=O)CCC(=O)O)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O\n",
      "CC1=CC(=O)C2=C(C)C[C@H](O)[C@H]3[C@H](C)C(=O)O[C@@H]3[C@H]12\n",
      "CS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCN(CCC3CCCCC3)CC2)cc1[N+](=O)[O-]\n",
      "O=C(NCCN1CCCCC1)c1ccc(I)cc1\n",
      "N#C[C@@H]1[C@@H](c2ccc(C3=CCCCC3)cc2)[C@H](CO)N1C(=O)NC1CCCCC1\n",
      "Cn1c(=O)c([N+](=O)[O-])c(Cl)c2ccccc21\n",
      "Cc1c(P(=S)(c2ccccc2)c2ccccc2)[n+]2ccccc2n1C\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O\n",
      "O=C1N=C(NCc2ccccc2)S/C1=C/c1ccc(O)cc1\n",
      "Cc1noc(C)c1S(=O)(=O)N(C)C[C@H]1OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C\n",
      "COC(=O)c1c(C)[nH]c(C)c1C(=O)c1ccccc1Cc1ccccc1\n",
      "Cc1cc(C)n2ncc(C(=O)Nc3ccc4c(c3)OCCO4)c2n1\n",
      "CO[C@]12C[C@@H](COC(=O)c3cncc(Br)c3)CN(C)[C@H]1Cc1cn(C)c3cccc2c13\n",
      "Cc1cncc2cccc(S(=O)(=O)N3CC[C@@H](N)C3)c12\n",
      "Retry on CCCN(C)C[C@@H]1Oc2ncc(C#Cc3ccccc3OC)cc2C(=O)N([C@H](C)CO)C[C@@H]1C\n",
      "CCCN(C)C[C@@H]1Oc2ncc(C#Cc3ccccc3OC)cc2C(=O)N([C@H](C)CO)C[C@@H]1C\n",
      "OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1\n",
      "NC(=O)N/N=C/c1ccc([N+](=O)[O-])o1\n",
      "Cc1noc(C)c1NC(=O)Nc1cccc2c1O[C@@H](CN(C)Cc1ccncc1)[C@H](C)CN([C@@H](C)CO)C2=O\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2cccc(F)c2)Oc2ncc(C#CCN(C)C)cc2C1=O\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)NC(C)C)OCCCC[C@H](C)O2\n",
      "CCCOc1ccc(C(=O)OCCN(CC)CC)cc1N\n",
      "CNC(=O)c1c(I)c(C(=O)NCC(=O)Nc2c(I)c(C(=O)O)c(I)c(C(=O)NCCO)c2I)c(I)c(N(C)C(C)=O)c1I\n",
      "CCCSc1ccc2[nH]c(NC(=O)OC)nc2c1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(F)cc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O\n",
      "CN(C)CCN1C(=O)c2ccccc2N(C)c2ccccc21\n",
      "C[C@]12Cc3cn[nH]c3C[C@@H]1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(C)O\n",
      "FC(F)(F)c1ccc2[nH]c(CNc3nc(N4CCOCC4)nc4c3ncn4-c3ccsc3)nc2c1\n",
      "C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C\n",
      "CCOC(=O)c1sc(SC)c2c1CCCC2=O\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc3c(c2)OCO3)Oc2ccc(NC(=O)C3CC3)cc2C1=O\n",
      "Oc1ccc(CNc2ccccn2)c2cccnc12\n",
      "Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1\n",
      "Nc1scc2c(C(=O)O)nn(-c3ccccc3)c(=O)c12\n",
      "CN1Cc2ccccc2[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21\n",
      "Nc1c(S(=O)(=O)O)cc(Nc2ccc(Cl)cc2)c2c1C(=O)c1ccccc1C2=O\n",
      "O=C(OCC#CCSc1nnc(-c2cccc3ccccc23)o1)c1ccc(SC(F)(F)F)cc1\n",
      "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@@H]1C(=O)Nc1cccc2ncccc12)C(C)C\n",
      "Cc1cc(C(=O)CCl)c(C)n1CCc1ccc(Cl)cc1\n",
      "Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)CCCN(C)C)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2C1=O\n",
      "CCOC(=O)C1CCN(C(=O)C(C)(C)NC(=O)Nc2ccc(OC)c(Cl)c2)CC1\n",
      "O=C(CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1\n",
      "C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)C(=O)CC1CC1\n",
      "CC(=O)N[C@@H](CSC/C=C(\\C)CC/C=C(\\C)CCC=C(C)C)C(=O)O\n",
      "C[C@H]1CCCCO[C@H](CN(C)C(=O)Nc2ccccc2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2O1\n",
      "C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#CCN(C)C)cc2O[C@@H]1CN(C)Cc1ccccc1F\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CC2)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O\n",
      "Cc1cccc(CNc2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)c1\n",
      "CN1CCN(C(c2ccccc2)c2ccccc2)CC1\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O\n",
      "COc1cccc(CN2C(=O)[C@H]3Cc4c([nH]c5ccccc45)C(C)(C)N3C2=O)c1\n",
      "CNC[C@H]1Oc2c(NS(=O)(=O)c3ccc(OC)cc3)cccc2C(=O)N([C@@H](C)CO)C[C@H]1C\n",
      "CCCCOC(=O)CCN1C(=O)/C(=C/c2ccccc2)SC1=S\n",
      "O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)c2ccccc2F)O1)NCc1ccc(Cl)c(Cl)c1\n",
      "CN(C)C(=N)NC(=N)N\n",
      "O=C(CCCCCC(=O)Nc1ccccc1O)N/N=C/c1cc(F)ccc1O\n",
      "CC(C)(C)[S@](=O)N1Cc2cc(C(=O)NCCN3CCCCC3)nc(-c3cccc(-c4ccc(C#N)cc4)c3)c2[C@@H]1CCO\n",
      "Cc1ncc(CN2CC=C(c3ccccc3)CC2)c(N)n1\n",
      "CS(=O)(=O)c1ccc([C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl)cc1\n",
      "CCCN(C)C[C@H]1OCCCC[C@@H](C)Oc2ccc(NC(=O)NC(C)C)cc2C(=O)N([C@@H](C)CO)C[C@H]1C\n",
      "COc1ccc2c3c([nH]c2c1)[C@H](CO)NCC31CCN(C(=O)c2ccccc2)CC1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(C)(=O)=O)cc2CC1=O\n",
      "C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OC(=O)CCC(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4\n",
      "CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12\n",
      "Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc1ccc(Oc3ccccc3)cc1)O2\n",
      "CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(=O)CC)[C@H](C)CO2\n",
      "CN1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1\n",
      "COc1ccc(NC(=O)N2CCCCN3[C@@H](CO)[C@H](c4ccc(C#CCC(C)C)cc4)[C@@H]3C2)cc1\n",
      "C[C@H]1CCCCO[C@@H](CN(C)CC2CCCCC2)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(C#Cc3ccc(C(F)(F)F)cc3)cnc2O[C@H]1CN(C)S(=O)(=O)c1ccc(C#N)cc1\n",
      "COc1ccccc1CN1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2ccncc2)cc1\n",
      "COc1cc(N=c2ssnc2Cl)c(OC)cc1Cl\n",
      "C#CCCCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C\n",
      "Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1\n",
      "COc1ccc(-c2ccc(=N)n(CCCC(=O)O)n2)cc1\n",
      "CS(=O)(=O)CCNCc1nc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)cs1\n",
      "Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@@H](C)O2\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(C#CCN(C)C)cnc2O[C@H]1CN(C)C(=O)Nc1cc(F)ccc1F\n",
      "COc1c2c(c(O)c3c4c(c(C)cc13)[C@@H]1O[C@@]3(C(OC)OC)O[C@@H]1[C@@](O)(O4)[C@@]31CO1)C(=O)[C@@H](O)C[C@@H]2O\n",
      "C[C@@H](NC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccc(C(F)(F)F)cc2)O1)c1ccccc1\n",
      "O=c1cc(-c2cccc(O)c2O)oc2ccc(O)cc12\n",
      "COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)CC2CC2)OCCCC[C@H](C)O3)cc1\n",
      "CCn1cnc2c(Nc3cccc(Cl)c3)nc(C#N)nc21\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)Nc3ccccc3)c2O[C@H]1CN(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1\n",
      "C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO\n",
      "C[C@]12CC[C@@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@H]1CCC2=O\n",
      "c1cncc(-c2ccc3ncnc(NCc4ccc5c(c4)OCO5)c3c2)c1\n",
      "COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)C)OCCCC[C@H](C)O3)cc1\n",
      "Cc1cccc(S(=O)(=O)N2C[C@H](O)COC[C@@H]3O[C@@H](CC(=O)Nc4ccc(-c5ccccc5)cc4)CC[C@H]32)c1\n",
      "O=C(N[C@@H]1C=C[C@@H](CC(=O)N2CCC(Cc3ccccc3)CC2)O[C@H]1CO)c1cnccn1\n",
      "O=C(c1ccccn1)N(Cc1ccco1)C1(C(=O)Nc2ccc(Br)cc2)CCCCC1\n",
      "C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@@H]1CN(C)Cc1ccccc1F\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)c3nc4ccccc4s3)c2O[C@H]1CN(C)Cc1ccc(Cl)c(Cl)c1\n",
      "Nc1ccc(C(=O)O)c(O)c1\n",
      "COc1cc2c(cc1OC)C(=O)c1ccc(OC)c(OC)c1OCC(=O)C2\n",
      "CCN(CC)CCOc1ccc(Cc2ccccc2)cc1\n",
      "CCCCC/C=C\\C/C=C\\CCCCCCCCCC(=O)O\n",
      "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(CCC(=O)C4)[C@H]3CC[C@@]21C\n",
      "Cc1ccc2nc(/C(C#N)=C/c3ccc([N+](=O)[O-])o3)[nH]c2c1\n",
      "CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(O)c(OC)cc21\n",
      "COc1c2occc2c(OC)c2c(=O)cc(C)oc12\n",
      "COc1ccc2c(c1)C(=O)N(CCc1ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc1)C(=O)C2(C)C\n",
      "CCCNC(=O)N1[C@@H](C#N)[C@@H](c2ccc(C3=CCCCC3)cc2)[C@@H]1CO\n",
      "CN1N=C(N)c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c3ncnc1c23\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2O[C@H](C)CCCCO[C@@H]1CN(C)CC1CC1\n",
      "c1ccc(C(O[C@@H]2CCCN(CCc3ccc4c(c3)OCO4)C2)c2ccccc2)cc1\n",
      "CCC/C=C/C/C=C/C=C/C=N/N[NH2+][O-]\n",
      "CC(C)NC(=O)N(C)C[C@H]1OCCCC[C@@H](C)Oc2ccc(NC(=O)CCC(F)(F)F)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C\n",
      "CCN(C[C@H]1[C@H](c2ccc(-c3cccnc3)cc2)[C@@H](CO)N1C(C)=O)C(C)=O\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)C2CCCCC2)OCCCC[C@@H](C)Oc2ccc(NC(=O)CCC(F)(F)F)cc2C1=O\n",
      "Cc1noc(C)c1S(=O)(=O)N(C)C[C@H]1Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C(=O)N([C@H](C)CO)C[C@H]1C\n",
      "Cc1nc2c(=O)n(C)c(=O)nc-2n(C)n1\n",
      "COc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1N1CCN(C)CC1\n",
      "O=C(NCCN1CCCC1)[C@H]1[C@H]2c3cccc(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)c1ccccc1\n",
      "Nc1cccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1\n",
      "C[C@]12C(=O)OC(=O)[C@@]1(C)[C@@H]1CC[C@H]2O1\n",
      "C[C@H]1CCCCO[C@H](CN(C)C(=O)Nc2ccc(F)cc2)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2O1\n",
      "O=C(O)c1cc(NCc2cc(O)ccc2O)ccc1O\n",
      "CC(C)n1cnc2c(C(=O)N[C@H]3CN4CCC3CC4)cc(Cl)cc21\n",
      "Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1\n",
      "C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)C(=O)Nc1ccc2c(c1)OCO2\n",
      "C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)Cc1cccnc1\n",
      "CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccsc2C1=O\n",
      "Cc1cccc(-c2ccc([C@@H]3[C@H](CO)N4CCCCN(S(=O)(=O)c5ccccc5F)C[C@@H]34)cc2)c1\n",
      "COc1ccc(CN(C)C[C@H]2OCCCC[C@@H](C)Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1\n",
      "Cc1cc(C(=O)Nc2ccc3c(c2)C(=O)N(C)[C@@H]2CC[C@H](CC(=O)O)O[C@H]2CO3)no1\n",
      "CC(C)(C)n1ncc2c(=O)n(Cc3cccc(Cn4cnc5c(cnn5C(C)(C)C)c4=O)c3F)cnc21\n",
      "O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2CC2CCOCC2)O1)NCc1ccc(Cl)cc1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)Cc3cn(C)c4ccccc34)ccc2O[C@@H]1CN(C)CC1CCCCC1\n",
      "CC(C)N1CCc2c(-c3nc4ccccc4s3)csc2C1\n",
      "S=C(S)N1CCCC1\n",
      "C[C@H]1CCCCO[C@H](CN(C)C(=O)CCCN(C)C)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O1\n",
      "CCOC(=O)[C@H]1C/C=C/C[C@H](C(=O)OCC)C(=O)O[C@H]2[C@@H](OC)O[C@H](CO)[C@@H](OC(=O)Nc3ccc(OC)cc3)[C@@H]2OC1=O\n",
      "NC(=O)c1cc[n+](CC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)[C@@H](c4ccccc4)S(=O)(=O)O)[C@H]3SC2)cc1\n",
      "COc1ccc([C@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@H]2OC(C)=O)cc1\n",
      "C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O\n",
      "CN(C)CCC=C1c2ccccc2Sc2ccc(Cl)cc21\n",
      "COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1cccc(Cl)c1)CC31CN(C)C1\n",
      "CC[N+](C)(C)c1cccc(O)c1\n",
      "Cn1nc(-c2ccccn2)nc2c(=O)n(C)c(=O)nc1-2\n",
      "CC(=O)Oc1cc(C(C)C)c(OCCN(C)C)cc1C\n",
      "CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NCCN3CCCC3)nc(-c3cccc(-c4cccc(C#N)c4)c3)c2[C@H]1CCO\n",
      "COCc1c(C(C)C)nc(C(C)C)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c1-c1ccc(F)cc1\n",
      "COc1ccc2ccc(=O)oc2c1\n",
      "N#CC(=Cc1ccc(O)c(O)c1)C(=O)Nc1ccccc1\n",
      "Cc1ccccc1-c1ccc([C@@H]2[C@H]3CNC[C@@H]2N3S(=O)(=O)c2ccccc2)cc1\n",
      "c1nc(NCC2CC2)c2cc(-c3ccc4c(c3)OCO4)ccc2n1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)c3ccncc3)ccc2O[C@H]1CN(C)Cc1ccc(Cl)c(Cl)c1\n",
      "CNC[C@@H]1Oc2ncc(C#CCN(C)C)cc2C(=O)N([C@H](C)CO)C[C@@H]1C\n",
      "Nc1nc2c(cnn2CCc2ccccc2)c2nc(-c3ccco3)nn12\n",
      "COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CCN(Cc2ccc(-c3ccccn3)cc2)CC1\n",
      "C[C@H]1CCCCO[C@@H](CN(C)C(=O)Nc2cccc3ccccc23)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O1\n",
      "C/C=C/c1ccc2c(c1)[C@H]1[C@H](CCN1C(=O)c1ccc(F)cc1)[C@H](CO)N2\n",
      "O=C1CN(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1\n",
      "COc1ccccc1C(=O)OCC#CCSc1nnc(-c2cccc3ccccc23)o1\n",
      "CN(C)CC(=O)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(C2=CCCCC2)cc1\n",
      "O=C(O)CCC(=O)Nc1cccc(F)c1\n",
      "COCCCNC(=O)[C@@H]1c2ccccc2C(=O)N(c2ccc(C)cn2)[C@H]1c1ccc(CO)cc1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc34)cc2CC1=O\n",
      "O=C(Cn1sc2ccccc2c1=O)Nc1ccccc1\n",
      "Cc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3cc(C4=CCCC4)ccc3S(=O)(=O)N([C@H](C)CO)C[C@H]2C)cc1\n",
      "COc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1OC\n",
      "O=C(c1ccc(CNS(=O)(=O)c2ccccc2)cc1)N1CCN(Cc2ccccc2)CC1\n",
      "COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(CC1CCCC1)CC31CN(C(=O)Nc2ccccc2)C1\n",
      "O=C(CCCCCCC(=O)Nc1ccccc1)NO\n",
      "COc1ccc(C(=O)Nc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)cc1\n",
      "Nc1c2c(nc3ccccc13)CCCC2\n",
      "C[C@H]1CCCCO[C@H](CN(C)CC2CC2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2O1\n",
      "C[C@H]1CCCCO[C@H](CN(C)C(=O)Nc2ccc(F)cc2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2O1\n",
      "O=C(NC1CCCCC1)NC1CCCCC1\n",
      "COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CCN(Cc2ccccc2F)CC1\n",
      "CO[C@H]1CC[C@H]2CCN(C)C(=O)[C@@H](C)[C@H](OC)CN(C)C(=O)c3cccc(C#N)c3OC[C@@H]1O2\n",
      "Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1\n",
      "Cc1cc2c(s1)c1cnn(Cc3ccccc3F)c(=O)c1n2C\n",
      "C[C@H]1CCCCO[C@@H](CN(C)S(=O)(=O)c2ccc(F)cc2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2O1\n",
      "CO[C@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCN(C6CCCC6)CC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C\n",
      "N#C[C@H]1N[C@@H](CO)[C@@H]1c1ccc(C2=CCCC2)cc1\n",
      "Cn1c(=O)c2c(nc(NCc3cccnc3)n2Cc2cccc(Br)c2)n(C)c1=O\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(N(C)C)ccc2O[C@H](C)CCCCO[C@@H]1CN(C)Cc1ccc(Cl)c(Cl)c1\n",
      "Cn1cnc(=N)c2nc[nH]c21\n",
      "C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(/C=C/c3ccccc3)cc2O[C@H]1CN(C)C(=O)Nc1cc(F)ccc1F\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1cccnc1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2O[C@H](C)CCCCO[C@@H]1CN(C)Cc1ccc2c(c1)OCO2\n",
      "CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1\n",
      "CCN(CC)CCCCC1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2cc(F)ccc2F)Oc2cc(/C=C/c3ccccc3)ccc2S1(=O)=O\n",
      "c1cncc(CNc2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)c1\n",
      "C[C@@H]1C[C@@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO\n",
      "CC1CCC(C(=O)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)C2CCC(O)CC2)CC1\n",
      "c1ccc(-c2csc(Nc3nc(-c4ccccn4)nnc3-c3ccccc3)n2)cc1\n",
      "CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O\n",
      "COc1cc2c(cc1OC)CN(C(=O)[C@H]1[C@@H]3C(=O)O[C@@H](c4ccccc4)[C@@H](c4ccccc4)N3[C@@H](c3ccc(O)cc3)[C@]13C(=O)Nc1ccccc13)CC2\n",
      "Cn1c(=O)cc(OCCCC(=O)Nc2cc(-c3cn[nH]c3)ccn2)c2ccccc21\n",
      "C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O\n",
      "COc1c(CC=C(C)C)c2c(c3oc(=O)c(-c4ccc(O)cc4)c(O)c13)C=CC(C)(C)O2\n",
      "CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1\n",
      "C[C@H]1CCCCO[C@@H](CN(C)C(=O)Cc2ccccc2)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O1\n",
      "O=c1ccc2[nH]cc(C3=CCNCC3)c2[nH]1\n",
      "CSc1nc2cc(Cl)c(Oc3cccc(Cl)c3Cl)cc2[nH]1\n",
      "CCCN(CCC)c1nc(N)c2ccccc2n1\n",
      "C[C@@H]1C[C@@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@H]1C(=O)COC(=O)C(C)(C)C\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)CCC(F)(F)F)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2C1=O\n",
      "CCCN(C)C[C@H]1Oc2ncc(C#CCN(C)C)cc2C(=O)N([C@@H](C)CO)C[C@H]1C\n",
      "Cc1cc(N2CCOCC2)nc2ccc(NC(=O)C3CCCCC3)cc12\n",
      "C[C@H](O)C#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(CC4CCOCC4)C[C@@H]23)cc1\n",
      "O=S(=O)(Nc1ccc(O)c2ncccc12)c1ccccc1F\n",
      "CC(=Cc1ccccc1)C=C1SC(=S)N(CCCC(=O)Nc2ccc(C(=O)O)c(O)c2)C1=O\n",
      "CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21\n",
      "O=C(N[C@@H]1CC[C@@H](CC(=O)N2CCOCC2)O[C@H]1CO)c1ccccn1\n",
      "COc1nccc(-c2c(-c3ccc(F)cc3)ncn2[C@H]2CC[C@H](O)CC2)n1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)c3ccncc3)c2O[C@@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1\n",
      "O=C(C[C@H]1CC[C@@H](NC(=O)CC2CC2)[C@H](CO)O1)NCc1ccc(Cl)cc1\n",
      "CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C=O)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1\n",
      "COc1ccccc1CN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)C(C)(C)N2C1=O\n",
      "C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)C(=O)c1ccccc1\n",
      "CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O[C@@H]1CN(C)S(=O)(=O)c1ccccc1\n",
      "Clc1cccc(-c2ccc3ncnc(NCc4cccnc4)c3c2)c1\n",
      "Nc1nc(=O)[nH]cc1F\n",
      "CN(CCCN1c2ccccc2CCc2ccccc21)CC(=O)c1ccc(Cl)cc1\n",
      "CC(=O)Nc1ccc(OC[C@](C)(O)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1\n",
      "CCOc1ccc(CCNC(=O)c2ccc3[nH]ccc3c2)cc1OCC\n",
      "COc1ccc(S(=O)(=O)N(C)C[C@@H]2Oc3c(NC(=O)Nc4ccccc4)cccc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1\n",
      "C[C@]12CC[C@H]3[C@@H](C[C@H](F)C4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O\n",
      "CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C\n",
      "O=[N+]([O-])O[C@@H]1CO[C@@H]2[C@@H](O)CO[C@H]12\n",
      "C[C@H]1CCCCO[C@@H](CN(C)C(=O)CCC(F)(F)F)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)CCC(F)(F)F)ccc2O1\n",
      "CC(C)(C)NC(=O)N1CCN(c2ncccc2C(F)(F)F)CC1\n",
      "O=c1oc2ccccc2c(O)c1Cc1c(O)c2ccccc2oc1=O\n",
      "COc1cccc(CN2CC3(CN(C)C3)c3c([nH]c4cc(OC)ccc34)[C@@H]2CO)c1\n",
      "CC(C)c1cccc(C(C)C)c1O\n",
      "CCOC(=O)[C@@](C)(N)Cc1ccc(O)c(O)c1\n",
      "C/C=C/c1ccc2c(c1)O[C@H](CN(C)C)[C@@H](C)CN([C@H](C)CO)S2(=O)=O\n",
      "CC(=O)N1CCN(c2cc(-c3ccccc3)nc3cc(-c4cccc(Cl)c4)nn23)CC1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CCCC2)Oc2ncc(C#Cc3ccncc3)cc2C1=O\n",
      "Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1\n",
      "N#C[C@@H]1N[C@H](CO)[C@H]1c1ccc(C2=CCCC2)cc1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(-c3ccc(C#N)cc3)cnc2O[C@@H]1CN(C)CC1CCCCC1\n",
      "CN(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(CC4CC4)C[C@H]23)cc1\n",
      "CC(=O)OCC[N+](C)(C)C\n",
      "S=C(NCCCc1c[nH]cn1)NCCCN(Cc1ccc(Cl)cc1)c1ccc(Br)cn1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(C3=CCCC3)cnc2O[C@@H]1CN(C)Cc1cccc(F)c1\n",
      "COc1cc(NC(=O)c2cc3ccccc3cc2OCC(=O)NC(C)(C)C)c(OC)cc1Cl\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(C#CCN(C)C)cnc2O[C@H]1CN(C)Cc1ccc(-c2ccccc2)cc1\n",
      "O=C(C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](CO)O1)NCc1cc(F)cc(F)c1\n",
      "C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)C(=O)Cc1ccccc1\n",
      "C/C=C/c1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)Cc4cccnc4)C[C@@H]23)cc1\n",
      "C[C@H]1C[C@H]2[C@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@H]2[C@@]2(C)C=CC(=O)C=C12\n",
      "O=C(O)c1ccc2[nH]cc(CCCCN3CC=C(c4ccccc4)CC3)c2c1\n",
      "CN(c1ccc(OCC(=O)O)cc1)S(=O)(=O)c1ccc(F)cc1\n",
      "Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)N[C@H]3CCN(Cc4ccccc4)C3)O[C@H]1CO2\n",
      "CCCN(C)C[C@@H]1OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C\n",
      "O=C(NC1Cc2ccccc2C1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]2N1CC1CC1\n",
      "COc1ccn(C)c(=O)c1C#N\n",
      "Cc1ccc(C(=O)c2ccc(CC(=O)O)n2C)cc1\n",
      "CC1(C)c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(Cc3ccco3)C(=O)N21\n",
      "CCCN(CCC)CCc1ccc(O)c(O)c1\n",
      "O=C(c1ccc(Cl)cc1)C1CCN(c2ncnc3sccc23)CC1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)C3CCCCC3)c2O[C@@H]1CN(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1\n",
      "C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO\n",
      "Cc1cc(Sc2nnc(/N=C/N(C)C)s2)c2ccccc2n1\n",
      "COc1ccc(/C=C(\\C#N)c2cccnc2)cc1OC\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2O[C@H](C)CCCCO[C@@H]1CN(C)Cc1ccc2c(c1)OCO2\n",
      "Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc21\n",
      "Cn1nnnc1Sc1ncnc2scc(-c3ccc(C#N)cc3)c12\n",
      "CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(N[C@H](CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1\n",
      "O=C(CCNS(=O)(=O)c1cccc2nsnc12)N1CCN(c2ccccn2)CC1\n",
      "COC(=O)c1ccc(CN2CC(=O)N3[C@H](CO)[C@H](c4ccc(Br)cc4)[C@H]3C2)cc1\n",
      "O=S(=O)(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccc(-c2ccccc2)s1\n",
      "CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1\n",
      "CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(N=[N+]=[N-])ccc1-2\n",
      "O=C1NC(=O)c2c1c(-c1ccccc1)cc1[nH]c3ccc(O)cc3c21\n",
      "O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1ccccc1O\n",
      "CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(=O)O\n",
      "COc1cccc(OC)c1C(=O)O[C@H]1[C@@H]2OC(=O)[C@@H](Cc3ccccc3)C/C=C/C[C@H](Cc3ccccc3)C(=O)O[C@H]2[C@@H](OC)O[C@@H]1CO\n",
      "CCCCC[C@H](O)/C=C/C1=C(C/C=C\\CCCC(=O)O)C(=O)CC1\n",
      "CCCN(C)C[C@@H]1Oc2ncc(-c3ccc(F)cc3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C\n",
      "CC(C)NC(=O)N1[C@H](CO)[C@@H]2c3ccccc3NC[C@@H]21\n",
      "CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)O\n",
      "C=CCN1C(=O)[C@@]2(O[C@@H](CCO)[C@H]([Si](C)(C)F)[C@H]2C)c2cc(N3CCCCC3=O)ccc21\n",
      "Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)no1\n",
      "Cc1cc(SCc2sc(-c3ccc(C(F)(F)F)c(F)c3)nc2C)ccc1OCC(=O)O\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccccc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O\n",
      "COc1cc(NC(=O)c2ccccn2)ccc1NC(=O)c1ccccc1Cl\n",
      "COC(=O)Nc1ccc2[nH]cc(CCNC(C)=O)c2c1\n",
      "CCCN1[C@@H]2CN(Cc3ccc(F)cc3)C[C@H]1[C@@H]2c1ccccc1\n",
      "O=C1Nc2ccccc2C2(CCN(CCc3ccc(C(F)(F)F)cc3)CC2)O1\n",
      "Cn1c(=O)c2c(ncn2CCO)n(C)c1=O\n",
      "O=C(C[C@H]1C=C[C@H](NC(=O)Cc2cccnc2)[C@@H](CO)O1)Nc1ccccc1\n",
      "CCCc1nc(C(C)(C)O)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1\n",
      "Oc1ccc(-c2csc(Nc3ccc4c(c3)OCO4)n2)c(O)c1\n",
      "CN1CCN2c3ncccc3Cc3ccccc3[C@@H]2C1\n",
      "C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(/C=C/c3ccccc3)cc2O[C@@H]1CN(C)C(=O)Nc1cc(F)ccc1F\n",
      "COc1ccc2c3c([nH]c2c1)[C@H](CO)NCC31CCN(C(=O)C2CCC2)CC1\n",
      "Oc1ccc(CCNc2ncnc3ccc(Cl)cc23)cc1\n",
      "Brc1ccc2c(c1)CN1CCCC1=N2\n",
      "C(=C/c1ccc([C@H]2[C@H]3CNC[C@@H]2N3CC2CCOCC2)cc1)\\c1ccccc1\n",
      "C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C(CCC(=O)C4)[C@@H]3CC[C@@]21C\n",
      "CN(C)CCN(Cc1ccc(Cl)cc1)c1ccccn1\n",
      "O=C(CCCCCCCn1cc(-c2cccnc2)nn1)Nc1ccccc1-c1ccccc1\n",
      "CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3\n",
      "O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2ccc(C(F)(F)F)cc2)O1)NC1Cc2ccccc2C1\n",
      "c1ccc(CN2CCC3(CCc4ccccc43)CC2)cc1\n",
      "COc1cc(/C=C/C(=O)N2CCC=CC2=O)cc(OC)c1OCCN(C)CCOc1c(OC)cc(/C=C/C(=O)N2CCC=CC2=O)cc1OC\n",
      "CCOc1cc(CO)c(Br)cc1OCC(=O)O\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)c3ccncc3)ccc2O[C@@H]1CN(C)Cc1ccc(Cl)c(Cl)c1\n",
      "CCCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2cccnc2)O1\n",
      "C[C@H]1CCCCO[C@H](CN(C)S(=O)(=O)c2ccccc2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O1\n",
      "C[C@H]1CCCCO[C@@H](CN(C)S(=O)(=O)c2ccc(F)cc2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2O1\n",
      "C[C@@H]1CC(=O)NN=C1c1ccc(I)cc1\n",
      "CCCN(C)C[C@H]1Oc2cc(-c3cccc(C#N)c3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C\n",
      "CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cn(C)c2ccccc12\n",
      "C[C@H]1CCCCO[C@H](CN(C)C(=O)CCCN(C)C)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(N(C)C)ccc2O[C@H](C)CCCCO[C@@H]1CN(C)Cc1ccncc1\n",
      "CC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)cc1\n",
      "C#CCN(C)Cc1ccccc1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CCCCC2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Cc1cccc(N2CCN(C(=O)c3cc(S(=O)(=O)N(C)C)ccc3Cl)CC2)c1C\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2cccc(F)c2)Oc2cc(C#CCN(C)C)ccc2S1(=O)=O\n",
      "CCN(CC)C(=O)/C(C#N)=C/c1cc(O)c(O)c([N+](=O)[O-])c1\n",
      "Cc1nn(-c2ccccc2)c(C)c1C=NN1CCN(Cc2ccccc2)CC1\n",
      "Cc1cccc2nc(/C(C#N)=C/c3ccc([N+](=O)[O-])o3)[nH]c12\n",
      "Cn1c(=O)cc(OCCCC(=O)Nc2cc(-c3ccncc3)ccn2)c2ccccc21\n",
      "c1ccc2[nH]c(-c3nc4ccccc4s3)nc2c1\n",
      "CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc1ccc(-c3ccccn3)cc1)[C@@H](C)CO2\n",
      "N#C[C@H]1[C@@H](c2ccc(C3=CCCCC3)cc2)[C@@H](CO)N1C(=O)c1ccccn1\n",
      "C/C=C/c1ccc([C@@H]2[C@H](CO)N[C@H]2CNS(=O)(=O)c2ccccc2)cc1\n",
      "C[C@H]1CCCCO[C@H](CN(C)C(=O)CCC(F)(F)F)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc4c(c3)OCO4)ccc2O1\n",
      "O=C(COc1c(Cl)cc(Cl)cc1Cl)NN=Cc1ccc[nH]1\n",
      "Cc1nc(O)c([N+](=O)[O-])c(Nc2ccc(Br)cc2Br)n1\n",
      "COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O[C@@H]2CCCCO2)[C@H](C)O1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O[C@H]1CN(C)Cc1ccc(Cl)c(Cl)c1\n",
      "Cn1cc(CNCC2CCN(c3ncc(C(=O)NO)cn3)CC2)c2ccccc21\n",
      "CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@H]4CN(Cc5ccc6c(c5)OCO6)C[C@@H]3N4)cc2)cc1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(C#CCN(C)C)cnc2O[C@@H]1CN(C)Cc1ccc(F)cc1\n",
      "COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(F)cc2)OCCCC[C@H](C)O3)cc1\n",
      "COc1ccc(-c2cnc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)Cc2ccccc2)O3)cc1\n",
      "NC(=O)CC[C@H](N)C(=O)O\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NS(=O)(=O)c3cccs3)cccc2C1=O\n",
      "CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(C)=O)C(=O)N[C@]1(C)CCC/C=C\\CCC[C@](C)(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CO)C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC1=O\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2cccc(F)c2)Oc2cc(-c3ccc(C#N)cc3)ccc2S1(=O)=O\n",
      "O=C(O)c1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2F)=NC3)cc1\n",
      "CCN1CCN(Cc2ccc(Nc3ncc4c(n3)N(C)c3ccccc3C(=O)N4C)cc2C(F)(F)F)CC1\n",
      "O=C(Cn1cc(CN2C(=O)COC[C@H]2c2ccccc2)nn1)Nc1ccon1\n",
      "CO[C@H]1/C=C\\C=C(/C)C(=O)NC2=CC(=O)C(NCCN(C)C)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@@H]1OC(N)=O)C2=O\n",
      "COC(=O)CCCCCCC(=O)N/N=C/c1cc(Br)ccc1OC\n",
      "CN1C(=O)c2cc(NC(=O)Cc3cccs3)ccc2OC[C@H]2O[C@H](CC(=O)N[C@H]3CCN(Cc4ccccc4)C3)CC[C@@H]21\n",
      "CNC[C@H]1Oc2ncc(-c3ccccc3F)cc2C(=O)N([C@H](C)CO)C[C@H]1C\n",
      "O=C(CN1CCOCC1)N[C@@H]1CC[C@H](CCNC(=O)C2CCC2)O[C@H]1CO\n",
      "C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C\n",
      "O=C(Cc1cccnc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C4=CCCCC4)cc3)[C@@H]2C1\n",
      "O[C@H]1CC[C@@H](Nc2ncc3nc(Nc4c(F)cc(F)cc4F)n([C@@H]4CCOC4)c3n2)CC1\n",
      "C[C@H]1CCCCO[C@@H](CN(C)C(=O)CCC(F)(F)F)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2O1\n",
      "CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1\n",
      "COc1cc(C(=O)N2CCN(c3ccccn3)CC2)cc(OC)c1OC\n",
      "C=CCN1C(=O)[C@@]2(O[C@@H](CCn3cc(CCO)nn3)[C@H]([Si](C)(C)c3ccc(OC)cc3)[C@H]2C)c2cc(N3C(=O)c4cccc5cccc3c45)ccc21\n",
      "COCCNC(=S)Nc1nc(OC)cc(OC)n1\n",
      "O=C(Nc1ccc(N2C(=O)CC3(CCCCC3)C2=O)c(Cl)c1)c1ccccn1\n",
      "CN[C@@H](C)[C@@H](O)c1ccccc1\n",
      "Cc1ccnc(NC(=O)CCCOc2cc(=O)n(C)c3ccccc23)c1\n",
      "CCCN(C)C[C@@H]1Oc2ncc(-c3cccnc3)cc2C(=O)N([C@H](C)CO)C[C@H]1C\n",
      "Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C\n",
      "CC1(C)c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)N21\n",
      "CC(C)(C)c1ccc(-c2noc(CCC(=O)NC3CC3)n2)cc1\n",
      "Oc1cc2c(c(Cl)c1O)CCNC[C@@H]2c1ccccc1\n",
      "CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C\n",
      "CCCN(C)C[C@@H]1Oc2cc(C#Cc3cccc(OC)c3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O[C@@H]1CN(C)Cc1ccc(-c2ccccc2)cc1\n",
      "Cc1ccccc1S(=O)(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#CCN(C)C)cc3)[C@H]2C1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccncc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O\n",
      "Cc1ccc(-c2ccc3c(c2)O[C@@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](C)CN([C@@H](C)CO)S3(=O)=O)cc1\n",
      "C[N+]1(CCC(C(N)=O)(c2ccccc2)c2ccccc2)CCCCC1\n",
      "CCCCCCCC(=O)CCc1ccc(O)c(OC)c1\n",
      "C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1\n",
      "C[C@@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O\n",
      "CO[C@@H]1CN(C)C(=O)c2cc(NS(=O)(=O)C3CCCCC3)ccc2OC[C@H](C)NC[C@@H]1C\n",
      "CC(C)[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)O)CC1\n",
      "COc1cc2c(cc1OC)-c1c/c(=N\\c3c(C)cc(C)cc3C)n(C)c(=O)n1CC2\n",
      "C[N+](C)(C)CCCCNC(=O)[C@H]1C[C@H]2C(=O)N3CCC[C@H]3C(=O)N2[C@H]1c1ccc(O)cc1\n",
      "c1cc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4CC3CC3)cc2)ccn1\n",
      "O=C(C=Cc1ccc(O)c(O)c1)OCCc1ccccc1\n",
      "Cc1ccc(-c2cnc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(=O)c2ccccc2)O3)cc1\n",
      "CC(=O)Nc1sc2c(c1-c1nc3ccccc3o1)CCN(C(C)C)C2\n",
      "CN(C)c1ccc(-c2csc(N3CCC(C(N)=O)CC3)n2)cc1\n",
      "COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CN(C(=O)Nc2c(C)noc2C)C1\n",
      "O=C(CCCCC(=O)N/N=C/[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)NO\n",
      "C[C@H](NC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccc(C(F)(F)F)cc2)O1)c1ccccc1\n",
      "CC(=O)Nc1c(C#N)c(-c2ccccc2)c(C#N)c(=O)n1-c1ccc(C)cc1\n",
      "O=C(NCc1ccccc1F)c1cccs1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCN3CCOCC3)ccc2O[C@H]1CN(C)Cc1ccc(C(F)(F)F)cc1\n",
      "Cc1ccc(OCCn2c(CCNC(=O)C3CCCCC3)nc3ccccc32)cc1\n",
      "CCOc1ccccc1/C=C/c1onc(C)c1S(=O)(=O)N1CCC(C(=O)NC(C)(C)C)CC1\n",
      "O=C(Nc1nc2ccccc2s1)c1cccs1\n",
      "C[C@H]1CCCCO[C@H](CN(C)C)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O1\n",
      "O=C(O)COc1cccc(-c2ocnc2-c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1\n",
      "CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C\n",
      "C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cccc(C#N)c3)cc2O[C@@H]1CN(C)C\n",
      "O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)c2O[C@@H]1CN(C)Cc1ccc(-c2ccccc2)cc1\n",
      "O=C1CNC[C@H]2[C@@H](c3ccc(C4=CCCCC4)cc3)[C@H](CO)N12\n",
      "O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2cccc(C(F)(F)F)c2)O1)NCCc1ccncc1\n",
      "O=C(/C=C/c1ccc(I)cc1)c1ccc(B(O)O)cc1\n",
      "COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)cc3o2)cc1OC\n",
      "Cc1ccc(S(=O)(=O)N(C)C[C@@H]2OCCCC[C@H](C)Oc3ccc(NC(=O)Nc4ccccc4)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1\n",
      "CC(C)=CCC/C(C)=C/COc1ccc2ccc(=O)oc2c1\n",
      "COc1ccccc1C1(O)CCN(CCCn2c3ccccc3c3ccccc32)CC1\n",
      "CN1C[C@@H](O)COC[C@H]2O[C@H](CC(=O)NC3CCCC3)CC[C@@H]21\n",
      "CCN(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1\n",
      "O=C1CCCC2=C1C1(CCCC1)NC(Nc1nc3ccccc3o1)=N2\n",
      "CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C\n",
      "COc1ccc(S(=O)(=O)Nc2cccc3c2O[C@H](CN(C)S(=O)(=O)c2ccc(OC)cc2)[C@H](C)CN([C@H](C)CO)C3=O)cc1\n",
      "COc1cccc(S(=O)(=O)N(C)C[C@@H]2Oc3cc(C4=CCCC4)ccc3S(=O)(=O)N([C@@H](C)CO)C[C@H]2C)c1\n",
      "CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1\n",
      "C[C@H]1CCCCO[C@@H](CN(C)CC2CCCCC2)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)c3ccccc3)ccc2O1\n",
      "CC(=O)N[C@H]1C[C@@H](C(=O)Nc2cc(-c3ccc(F)cc3)ccc2N)C1\n",
      "S=P(c1ccccc1)(c1ccccc1)c1cnc2ccccn12\n",
      "OC[C@H]1[C@H](c2ccc(C#CC3(O)CCCC3)cc2)[C@@H]2CN(Cc3cncnc3)CCCCN12\n",
      "COCc1cn(CC[C@H]2CC[C@@H](NC(=O)Nc3ccc(C(F)(F)F)cc3)[C@H](CO)O2)nn1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@H]1CN(C)S(=O)(=O)c1cccs1\n",
      "CN1C(=O)c2cc(NC(=O)c3ccccc3Cl)ccc2OC[C@H]2O[C@H](CC(=O)NCC(F)(F)F)CC[C@@H]21\n",
      "C[C@H]1CCCCO[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O1\n",
      "COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(C)=O)CC31CCN(Cc2ccccc2OC)CC1\n",
      "NC(=O)C1CCN(c2ncc(Br)s2)CC1\n",
      "CCCOC(=O)c1cc2c(cn1)[nH]c1ccccc12\n",
      "O=[N+]([O-])c1cc2nc(O)c(O)nc2cc1[N+](=O)[O-]\n",
      "N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1S/C=C/C(=O)c1ccccc1\n",
      "COC(=O)c1scc2c(O)cc(C(F)(F)F)nc12\n",
      "COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(F)cc2)OCCCC[C@H](C)O3)cc1\n",
      "CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C\n",
      "CCCCCCCCCCCCCCCCCCc1ccc(C(=O)/C=C/C(=O)O)cc1\n",
      "Cc1c(NC(C)C)c(=O)n(-c2ccccc2)n1C\n",
      "COc1cccc(-c2cnc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)CC2CCCC2)O3)c1\n",
      "CC(=O)N(C)C[C@@H]1[C@@H](c2ccc(C3=CCCCC3)cc2)[C@@H](CO)N1CC1CC1\n",
      "C[C@@]1(C2CCCC2)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O\n",
      "CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1\n",
      "CNC[C@@H]1Oc2ncc(-c3ccccc3F)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C\n",
      "Cc1ccc(S(=O)(=O)/C(C#N)=C/Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1\n",
      "O=C1[C@H]2CCCC[C@H]2C(=O)N1CCCCN1CCN(c2nsc3ccccc23)CC1\n",
      "CC1(C)C[C@@H]1C(=O)N/C(=C\\CCCCSC[C@H](N)C(=O)O)C(=O)O\n",
      "CCS(=O)(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)N3CCN(C)CC3)O[C@@H]1CO2\n",
      "C=C1C2=C(C(=O)N1OC)[C@H](O)[C@](C)(O)[C@H](CCCCC)O2\n",
      "O=C(O)c1ccccc1-c1noc(-c2ccccc2F)n1\n",
      "N#C[C@H]1[C@@H](c2ccc(C3=CCCCC3)cc2)[C@@H](CO)N1C(=O)CN1CCOCC1\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2O[C@H](C)CCCCO[C@H]1CN(C)C(=O)Nc1ccc(F)cc1\n",
      "C[C@@H](NC(=O)C[C@H]1C=C[C@@H](NC(=O)Cc2ccccn2)[C@H](CO)O1)c1ccccc1\n",
      "CC(=O)Oc1cccc(O)c1\n",
      "O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cccc(C(F)(F)F)c2)O1)NCCc1ccncc1\n",
      "CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C\n",
      "Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)CC2CCCCC2)OCCCC[C@@H](C)O3)cc1\n",
      "CC(C)NC[C@H]1[C@@H](c2ccc(C3=CCCCC3)cc2)[C@@H](CO)N1C(=O)NC(C)C\n",
      "CN1CCN(C(=O)c2cc3c(c(-c4cccc(-c5ccc(C(=O)N(C)C)cc5)c4)n2)[C@@H](CCO)N([S@](=O)C(C)(C)C)C3)CC1\n",
      "O=C(CNc1cccc2ccccc12)N/N=C/c1ccc([N+](=O)[O-])o1\n",
      "CC(C)(C)n1ncc2c(=O)n(Cc3ccccc3Br)cnc21\n",
      "C[C@@H]1CCCCO[C@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(C)(=O)=O)ccc2O1\n",
      "COc1ccc(S(=O)(=O)N2CCC3(CC2)CN(Cc2ccccc2OC)[C@@H](CO)c2[nH]c4cc(OC)ccc4c23)cc1\n",
      "Cc1ccccc1S(=O)(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1\n",
      "Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O\n",
      "CNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccc(Cl)c(Cl)c2)O1\n",
      "O=C(Cc1ccccn1)N[C@@H]1CC[C@H](CCn2cc(-c3ccccc3)nn2)O[C@@H]1CO\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O[C@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1\n",
      "CC(=O)N1[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCc1cc(F)cc(F)c1\n",
      "CC(=O)[C@@]1(O)Cc2c(O)c3c(c(O)c2[C@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O\n",
      "O=C(Cn1c(=O)c2cccn2c2cccnc21)NCCCN1CCN(c2ccccc2)CC1\n",
      "Cc1nc(-c2ccccc2)c(-c2ccncc2)o1\n",
      "CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(CCC(F)(F)F)C[C@H]34)cc2)c1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(C3=CCCCC3)cnc2O[C@@H]1CN(C)C(=O)c1ccccc1\n",
      "Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1\n",
      "CCOC(=O)C1CCN(C(=O)C(C)(C)NC(=O)Nc2ccc3c(c2)CCC3)CC1\n",
      "CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@H](CO)N4CCCCN(Cc5cccnc5)C[C@@H]34)cc2)cc1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)CCCN(C)C)cc2C1=O\n",
      "Cc1c2ccncc2c(C)c2c1[nH]c1ccccc12\n",
      "COC(=O)Nc1nc2cc(C(=O)c3ccc(F)cc3)ccc2[nH]1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O[C@H](C)CCCCO[C@H]1CN(C)Cc1ccc(C(F)(F)F)cc1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(N(C)C)cc2C1=O\n",
      "COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(CC1CC1)CC31CN(S(=O)(=O)c2cn(C)cn2)C1\n",
      "COc1ccc(-c2cc3nc(C)cc(N4CCN(C(=O)c5cccnc5)CC4)n3n2)cc1\n",
      "O=C(N1CCC(n2nc(-c3ccccc3)oc2=O)CC1)C1(c2ccc(Cl)cc2)CC1\n",
      "COC(=O)CCCCCCC(=O)N/N=C/c1cc2c(cc1Br)OCO2\n",
      "COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccccc1Cl)CC31CCN(C(=O)CC2CC2)CC1\n",
      "CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C\n",
      "C[C@H]1CCCCO[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2O1\n",
      "CCCCCCCC(=O)c1c(O)cc(O)cc1CC(=O)OCC\n",
      "C[C@H]1CCCCO[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(N(C)C)ccc2O1\n",
      "CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1\n",
      "CN(C)c1cccc(-c2cnc(N3CCC(C(N)=O)CC3)s2)c1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O[C@H]1CN(C)Cc1ccc(C(F)(F)F)cc1\n",
      "CN(C(=O)OC(C)(C)C)c1ccc(-c2nc3ccccc3s2)cc1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2cc(F)ccc2F)Oc2cc(C#CC3CCCC3)ccc2S1(=O)=O\n",
      "O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc2c(c1)OCCO2\n",
      "CCOC(=O)C1CCN(C(=O)C(C)(C)NC(=O)Nc2ccccc2Cl)CC1\n",
      "O=C(NC1CC1)c1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1\n",
      "C=C1C(=CC=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C[C@@H](O)C[C@@H]1O\n",
      "OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1\n",
      "O=c1[nH]cnc2[nH]ncc12\n",
      "CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)N3CCc4ccccc4C3)nc(-c3cccc(-c4ccncc4)c3)c2[C@H]1CCO\n",
      "C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@@H]1CN(C)CC1CCCC1\n",
      "COc1ccc(CNc2cc(C)ccc2C)c(OC)c1\n",
      "N#C[C@H]1[C@H](c2ccc(C3=CCCCC3)cc2)[C@H](CO)N1C(=O)NC1CCCCC1\n",
      "C#CCN(C)[C@H](C)Cc1ccccc1\n",
      "COc1c(F)cc2[nH]c3c(c2c1F)CCNC3=O\n",
      "CCCCC[C@H](O)/C=C/C=C\\CCCCCCCC(=O)O\n",
      "COc1cc(/C=C/C(=O)N2CCC=C(C#CC3CC3)C2=O)cc(OC)c1OC\n",
      "O=C1CCCC2=C1C1(CCCC1)NC(Nc1nc3cc(-c4ccccc4)ccc3o1)=N2\n",
      "Cn1cnc2nc(NCCO)nc(NCc3ccccc3)c21\n",
      "COc1cccc(C(=O)Nc2ccc3c(c2)OC[C@@H](C)N(C(=O)C2CCCCC2)C[C@@H](C)[C@H](OC)CN(C)C3=O)c1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(-c3cncnc3)cnc2O[C@@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(C3=CCCCC3)cnc2O[C@@H]1CN(C)C(=O)c1cccc(F)c1\n",
      "COc1ccc(OC(=O)N(C)C[C@H]2OCc3cnnn3CCCC(=O)N([C@H](C)CO)C[C@H]2C)cc1\n",
      "C=CCNc1oc(C2CCCC2)nc1C#N\n",
      "CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1\n",
      "CCS(=O)(=O)N1CCC[C@@H]2CN3CCc4cc(OC)ccc4[C@@H]3C[C@@H]21\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)C3CCCCC3)ccc2O[C@@H]1CN(C)Cc1ccc(C(F)(F)F)cc1\n",
      "O=C(C[C@@H]1CC[C@@H](NC(=O)c2ccc(F)cc2)[C@H](CO)O1)NCc1ccncn1\n",
      "Cc1cc2cc3c(cc2n2c(SCC(=O)Nc4nc(-c5ccccc5)cs4)nnc12)OCO3\n",
      "Cc1ccc(-c2ccc3c(c2)O[C@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](C)CN([C@H](C)CO)S3(=O)=O)cc1\n",
      "Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2\n",
      "O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2ccc(Cl)c(Cl)c2)O1)NC1CCC1\n",
      "O=C(O)c1ccccc1-c1ccc(C=c2sc3nc4cc(Br)cnc4n3c2=O)o1\n",
      "CC(C)Oc1nc(-c2ccc(Cl)cc2)nc2ccccc12\n",
      "CCCCCCCCCCCC1C(=O)C(=O)CC(=O)C1=O\n",
      "CCOC(=O)[C@H]1C/C=C/C[C@H](C(=O)OCC)C(=O)O[C@H]2[C@@H](OC)O[C@H](CO)[C@@H](OC(=O)Nc3ccc(Br)cc3)[C@@H]2OC1=O\n",
      "CO[C@@H]1CC[C@@H]2CCOc3c(C#N)cccc3C(=O)N(C)C[C@@H](c3ccccc3)CC(=O)N(C)C[C@H]1O2\n",
      "C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CCN(C)C)cc2O[C@@H]1CN(C)Cc1ccc2c(c1)OCO2\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O[C@H]1CN(C)S(C)(=O)=O\n",
      "CC(C)N1CCc2c(sc(NC(=O)C(F)(F)F)c2-c2nc3ccccc3s2)C1\n",
      "CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@@H]3OC[C@@]3(OC(C)=O)[C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C\n",
      "CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3[C@@H](C(=O)O)C(C)(C)S[C@H]23)c2ccccc2)C(=O)C1=O\n",
      "C=CCN1C[C@H](C(=O)N(CCCN(C)C)C(=O)NCC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21\n",
      "CN(CCOc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1\n",
      "C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)C(=O)CC1CC1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O[C@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1\n",
      "C=CCN1Cc2ccccc2[C@H]2OC(c3ccc(OCCCO)cc3)=N[C@@]2(CCS(=O)(=O)c2ccccc2)C1=O\n",
      "Cc1occc1CNc1ncnc2ccc(-c3ccc4c(c3)OCO4)cc12\n",
      "COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1\n",
      "CCC[C@H](N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21)C(=O)OCC\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)Cc3cn(C)c4ccccc34)ccc2O[C@@H]1CN(C)CC1CCCCC1\n",
      "C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CC3CC3)cc2O[C@@H]1CN(C)Cc1ccccc1\n",
      "CCCCCCCCC=CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1\n",
      "O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nnc(-c2ccncc2)s1\n",
      "NNCCc1ccccc1\n",
      "CC(=O)Oc1ccc2occ(C(=O)CCN(C)C)c2c1\n",
      "COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1\n",
      "CCCCc1ccc(C(=O)O)nc1\n",
      "C[C@H]1CCCCO[C@@H](CN(C)C(=O)CCCN(C)C)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2O1\n",
      "CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc21\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)c3ccncc3)c2O[C@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1\n",
      "CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)Cc3cccs3)[C@H]2SC1\n",
      "CN(C)CC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(/C=C/c4ccccc4)cc3)[C@H]2C1\n",
      "C[C@]1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1\n",
      "CCOC(=O)n1ccn(C)c1=S\n",
      "NC(=NC(=O)c1nc(Cl)c(N)nc1N)NCc1ccccc1\n",
      "NNC(=O)c1ccncc1\n",
      "CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]4C[C@H]([N+]5(C)CCCCC5)[C@H](OC(C)=O)[C@@]4(C)CC[C@H]3[C@@]2(C)C[C@@H]1[N+]1(C)CCCCC1\n",
      "N[C@@H]1CONC1=O\n",
      "Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)[C@H]2CC[C@@H](CC(=O)NCCc4ccncc4)O[C@H]2CO3)cc1\n",
      "N#Cc1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)C2CCCC2)[C@H](CO)N3)cc1\n",
      "O=S(=O)(c1ccc(F)cc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2Cc1ccc2c(c1)OCO2\n",
      "Cc1ccc(OCCOc2c(Cl)cc(Cl)cc2Cl)c([N+](=O)[O-])n1\n",
      "O=C(Cc1ccncc1)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)N3CCc4ccccc4C3)O[C@H](CO)[C@H]1O2\n",
      "COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C(C3=O)[C@@H]2CCC(=O)[C@@]2(C)C[C@H]1OC(C)=O\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)Nc3cccc4ccccc34)ccc2O[C@@H]1CN(C)CC1CCCCC1\n",
      "O=P(c1ccccc1)(c1ccccc1)c1cnc2ccccn12\n",
      "COc1cccc(C(=O)C(C#N)=C(SC)SC)c1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O[C@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1\n",
      "CNC1=Nc2ccc(Cl)cc2C(c2ccc[nH]2)=NC1\n",
      "CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4cc(C)on4)cc3C(=O)N2C)O1\n",
      "COc1ccc(S(=O)(=O)N(C)C[C@@H]2Oc3c(NC(=O)Nc4cccc5ccccc45)cccc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1C\n",
      "C[C@H]1CCCCO[C@H](CN(C)CC2CCCCC2)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O1\n",
      "O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccc(C(=O)O)c(O)c1\n",
      "CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]2N1Cc1ccccc1F\n",
      "N#Cc1ccc2c(=O)n(-c3ccccc3)sc2c1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc3c(c2)OCO3)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O\n",
      "COc1ccc(C#Cc2ccc3c(c2)[C@]2(C(=O)N3)[C@H](c3ccc(OCCO)cc3)N3[C@H](c4ccccc4)[C@H](c4ccccc4)OC(=O)[C@H]3[C@@H]2C(=O)N2CCCCCCC2)cc1\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Clc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1Cl\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)c2cccc(F)c2)Oc2ncc(C3=CCCCC3)cc2C1=O\n",
      "Cc1ccc2c(c1)C1(CCN(CCc3nc(-c4ccccc4)oc3C)CC1)OC(=O)N2\n",
      "CO[C@@H]1CN(C)C(=O)c2cc(C#N)ccc2OC[C@@H]2O[C@H](CC[C@H]2OC)CCN(C)C(=O)[C@@H]1C\n",
      "CC(=O)Nc1ccc2c(=O)n(-c3ccccc3)sc2c1\n",
      "CCCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1\n",
      "CCCc1cn(-c2ccc(O)cc2)nc1-c1ccc(O)cc1\n",
      "N#C[C@@H]1[C@H](c2ccc(C3=CCCCC3)cc2)[C@@H](CO)N1C(=O)NC1CCCC1\n",
      "Cc1ccc(S(=O)(=O)n2c(N)nc3cc(C)c(C)cc32)cc1\n",
      "COc1ccc(Nc2ncnc3ccc(OC)cc23)cc1\n",
      "O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccc(Oc3ccccc3)cc2)O1)N1CCN(c2ccccc2)CC1\n",
      "Cn1nnnc1Sc1ncnc2scc(-c3ccsc3)c12\n",
      "O=C(O)CCCCCCC(=O)N/N=C/c1ccc(CO)o1\n",
      "N#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1\n",
      "CN(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)C4CC4)C[C@H]23)cc1\n",
      "C[C@H]1CCCCO[C@H](CN(C)S(=O)(=O)c2ccccc2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCCN(C)C)ccc2O1\n",
      "C[C@H](O)C#Cc1ccc([C@@H]2[C@H]3CN(C(=O)c4ccc5c(c4)OCO5)CCCCN3[C@H]2CO)cc1\n",
      "COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4OC)c3=O)[C@H]2N1CC1CCCC1\n",
      "COc1cccc(CN2CC3(CN(CC4CCOCC4)C3)c3c([nH]c4cc(OC)ccc34)[C@@H]2CO)c1\n",
      "CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@H]4CN(Cc5ccc6c(c5)OCO6)C[C@@H]3N4)cc2)cc1\n",
      "CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)NCCO\n",
      "CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@H](O)C1\n",
      "COc1cc(/C=C(\\C#N)C(N)=O)cc(CSc2nc3ccccc3s2)c1O\n",
      "CO[C@H]1CC[C@H]2CCOc3c(C#N)cccc3C(=O)N(C)C[C@@H](C)C(=O)N(C)C[C@H]1O2\n",
      "COc1ccccc1S(=O)(=O)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2cccnc2)cc1\n",
      "Nc1n[nH]c2nc3ccccc3nc12\n",
      "Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)[nH]n1\n",
      "Cc1cc(C)n(-c2nc(NCCCO)c3c4c(sc3n2)CCCC4)n1\n",
      "CCCNC(=O)NC[C@@H]1[C@H](c2ccc(C3=CCCCC3)cc2)[C@H](CO)N1C(C)=O\n",
      "COc1ccc2c3c([nH]c2c1)[C@H](CO)N(S(C)(=O)=O)CC31CCN(C(=O)c2ccccc2)CC1\n",
      "NS(=O)(=O)c1cc(C(=O)O)cc(N2CCCC2)c1Oc1ccccc1\n",
      "O=c1ccc2ccc(O)cc2o1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O[C@@H]1CN(C)S(=O)(=O)c1ccc(F)cc1\n",
      "CCCC(=O)Nc1cccc(NC(=O)Cc2ccc(Cl)cc2)c1\n",
      "NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O\n",
      "COc1ccc2c3c([nH]c2c1)[C@H](CO)NCC31CCN(Cc2ccccc2)CC1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2O[C@H](C)CCCCO[C@H]1CN(C)S(=O)(=O)c1ccc(F)cc1\n",
      "CN(C)CC#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(C(=O)Cc4ccccn4)C[C@@H]23)cc1\n",
      "CN1CCC(=C2c3ccccc3Sc3ccccc32)CC1\n",
      "Cc1ccccc1S(=O)(=O)NCC[C@@H]1CC[C@@H](NS(=O)(=O)c2ccccc2C)[C@H](CO)O1\n",
      "CCCC[Sn](Cl)(CCCC)CCCC\n",
      "O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5\n",
      "COC1(OC)C=CC(=O)C=C1NC(=O)c1ccccc1OC(C)=O\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)Oc2c(NC(=O)Nc3ccc(F)cc3)cccc2C1=O\n",
      "Clc1ccccc1-c1ccc2ncnc(NCc3ccc4c(c3)OCO4)c2c1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O[C@@H]1CN(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1\n",
      "CNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4cc(F)cc(F)c4)cc3C(=O)N2C)O1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CCCCC2)Oc2ccc(NC(=O)c3ccncc3)cc2CC1=O\n",
      "CN1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(O)cc13\n",
      "CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1\n",
      "COc1cc(C(C)(C)C)c(O)cc1C(C)(C)C\n",
      "FC(F)(F)c1cccc(C2=CCN(CCc3ccc4ccccc4c3)CC2)c1\n",
      "NCCC[C@H](N)CC(=O)N[C@H]1CNC(=O)[C@H]([C@H]2C[C@H](O)N=C(N)N2)NC(=O)C(=CNC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O\n",
      "COc1ccc(CN2CCNCC2)c(OC)c1OC\n",
      "O=C(Nc1cccc(Cl)c1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2CC1CCOCC1\n",
      "CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CCCCC2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O\n",
      "CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1\n",
      "CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O\n",
      "O=C(OCC#CCSc1nnc(-c2cccc3ccccc23)o1)c1c[nH]cn1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CC2)Oc2ccc(NC(=O)NC3CCCCC3)cc2CC1=O\n",
      "Clc1ccc(CON=C(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1\n",
      "COc1ccc(N(C(=O)c2cccnc2)S(=O)(=O)c2ccccc2)cc1\n",
      "CCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC\n",
      "COC(=O)c1ccc(O)c(NC(=O)COc2ccc(C3C4CC5CC(C4)CC3C5)cc2)c1\n",
      "Cc1ccc(S(=O)(=O)N(C)C[C@@H]2Oc3c(NC(=O)NC4CCCCC4)cccc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1\n",
      "CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1\n",
      "CC(C)NNC(=O)c1ccncc1\n",
      "O=C(O)[C@H]1C[C@H]2C(=O)NCC(=O)N2[C@H]1c1ccc(O)cc1\n",
      "COc1ccc(C(=O)N2CCCC2=O)cc1\n",
      "CCOc1ccccc1CNc1ncnc2ccc(-c3c(C)noc3C)cc12\n",
      "CCCCCCCCCc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCO)cc1\n",
      "CCNC(=O)CCc1nc(-c2ccc(C(C)(C)C)cc2)no1\n",
      "CCc1nn2c(=O)c(F)c(N3CCNCC3)nc2s1\n",
      "Cc1cc(I)ccc1Nc1c(C(=O)NOCC2CC2)cc(F)c(F)c1F\n",
      "C[C@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C\n",
      "NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O\n",
      "N#C[C@@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1c1nc(-c2ccccc2)cs1\n",
      "O=C(O)[C@H](S)[C@H](S)C(=O)O\n",
      "Cn1nnnc1Sc1ncnc2scc(-c3ccc(-c4ccccc4)cc3)c12\n",
      "Cc1ccc2nc(Nc3ccccc3)nc(-c3ccccc3)c2c1\n",
      "CCOc1cccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c1OCC\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)c2O[C@@H]1CN(C)Cc1ccc(Cl)c(Cl)c1\n",
      "COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)CC2CCCCC2)OCCCC[C@H](C)O3)cc1\n",
      "Nc1ccc2[nH]c(CCC(=O)O)nc2c1\n",
      "COC(=O)C=Cc1cc(O)ccc1O\n",
      "COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(C3=CCCCC3)cnc2O[C@H]1CN(C)Cc1ccccc1\n",
      "Retry on CCCCc1nc2ccn(CC(=O)N(C)C)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1\n",
      "CCCCc1nc2ccn(CC(=O)N(C)C)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1\n",
      "CCOC(=O)c1ccccc1S(=O)(=O)N1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1\n",
      "COC(=O)c1cnn(-c2ccc(F)cc2F)c1C=NN=C(S)Nc1ccccc1\n",
      "N#Cc1ccc(C(c2ccc(C#N)cc2)n2cncn2)cc1\n",
      "N[C@H]1C[C@@H]1c1ccccc1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)NC3CCCCC3)ccc2O[C@@H]1CN(C)Cc1ccc(-c2ccccc2)cc1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NS(C)(=O)=O)ccc2O[C@H]1CN(C)C(=O)Nc1cccc2ccccc12\n",
      "COc1ccc(-c2cc3nc(-c4ccccc4)cc(N4CCN(C(=O)c5ccccc5)CC4)n3n2)cc1\n",
      "CCCN(C)C[C@H]1Oc2ncc(C#Cc3ccc(OC)cc3)cc2C(=O)N([C@@H](C)CO)C[C@H]1C\n",
      "CCCCCc1c2c(cc(O)c1C(=O)O)OC(=O)c1c(cc(OC)cc1C(=O)CCCC)O2\n",
      "Clc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cc1Cl\n",
      "O=C(O)CI\n",
      "CCN(CC)C(=O)N[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1\n",
      "CCC(=O)N1CC2(CCN(Cc3ccccc3Cl)CC2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO\n",
      "N#Cc1cccc(OCCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CCCC2)Oc2cc(C#Cc3cccnc3)ccc2S1(=O)=O\n",
      "C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#CCN(C)C)cc2O[C@H]1CN(C)Cc1ccc2c(c1)OCO2\n",
      "COc1ccc(CCNC(=O)CSc2nc3ccccc3nc2N2CCCC2)cc1OC\n",
      "O=[N+]([O-])c1ccc2c(c1)Cc1ccccc1-2\n",
      "C#C[C@]1(O)CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C\n",
      "C[C@H]1CCCCO[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2O1\n",
      "C[C@H]1CCCCO[C@H](CN(C)S(=O)(=O)c2ccc(F)cc2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2O1\n",
      "Cn1c(=O)cc(OCCCC(=O)Nc2cccc(Cl)c2)c2ccccc21\n",
      "O=C(NC[C@H](O)CO)c1ccncc1Nc1ccc(I)cc1F\n",
      "Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc1ccc(C(F)(F)F)cc1)O2\n",
      "CC1(C)S[C@@H]2[C@H](NC(=O)C3(N)CCCCC3)C(=O)N2[C@H]1C(=O)O\n",
      "CCN(CCCc1ccccc1)CCCc1ccccc1\n",
      "O=C(c1ccccc1)C1CCN(c2ncnc3sccc23)CC1\n",
      "CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)Nc2ccc(O)cc2)C(C)(C)CCC1\n",
      "Clc1cccc(CNc2nc(-c3ccccn3)nnc2-c2ccccc2)c1\n",
      "CCN(CC)c1ccc(C2=NNC(=O)C[C@H]2C)cc1[N+](=O)[O-]\n",
      "Oc1noc2c1CCNC2\n",
      "C/C=C/c1ccc2c(c1)[C@H]1[C@H](CCN1C(=O)C1CCCC1)[C@@H](CO)N2\n",
      "CCS(=O)(=O)CCn1c([N+](=O)[O-])cnc1C\n",
      "CC(C)NC(=O)N(C)C[C@H]1OCCCC[C@H](C)Oc2ccc(NC(=O)C3CCCCC3)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C\n",
      "N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O\n",
      "[N-]=[N+]=NCc1ccccc1C[C@]1(C(N)=O)N=C(c2ccc(OCCCO)cc2)O[C@H]1c1ccccc1CN=[N+]=[N-]\n",
      "C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)c1ccncc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O\n",
      "COc1cc2c(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)ncnc2cc1OCCCN1CCCCC1\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)CC1CCCCC1)OCCCC[C@@H](C)O2\n",
      "Cc1nccn1CC(=O)c1ccc(O)c(O)c1\n",
      "C[C@H]1CCCCO[C@@H](CN(C)Cc2ccccc2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2O1\n",
      "O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2ccc(F)cc2)O1)NC1CCC1\n",
      "O=C(N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)n1cc(C(O)(c2ccccc2)c2ccccc2)nn1\n",
      "O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12\n",
      "Cn1nnnc1Sc1ncnc2scc(-c3ccc[nH]3)c12\n",
      "COc1ccc2c(=O)c(-c3cc4c(cc3OC)OCO4)coc2c1\n",
      "COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C\n",
      "COc1cc(SC)ccc1-c1nc2ccncc2[nH]1\n",
      "O=C1c2ccccc2C(Cc2ccnc(F)c2)(Cc2ccnc(F)c2)c2ccccc21\n",
      "Cc1ccc(S(=O)(=O)n2c(N)nc3ccccc32)cc1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CCCC2)Oc2ncc(C#Cc3ccccn3)cc2C1=O\n",
      "CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCC[C@@H]21\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(C#Cc3ccncc3)cnc2O[C@@H]1CN(C)CC1CCCCC1\n",
      "CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1\n",
      "Cc1cccc(Nc2nc(NCCO)nc(N3CCCC3)n2)c1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(-c3ccccc3F)cnc2O[C@@H]1CN(C)Cc1cccc(F)c1\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "O=C(O)[C@H](Cc1c[nH]c2ccccc12)N1C(=O)c2ccccc2C1=O\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)Nc3ccc(F)cc3)ccc2O[C@H]1CN(C)CC1CCCCC1\n",
      "Cc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(F)cc12\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)Cc2cc(N(C)C)ccc2O[C@@H]1CN(C)C(=O)Nc1ccc(F)cc1\n",
      "Cc1ccc(C2(C(=O)N3CCC(n4nc(-c5ccccc5)oc4=O)CC3)CC2)cc1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2CC1=O\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)c2O[C@H]1CN(C)S(=O)(=O)c1ccc(Cl)cc1\n",
      "Oc1ccc(C2=CCNCC2)cc1O\n",
      "O=C(OCC#CCSc1nnc(-c2cccc3ccccc23)o1)c1ccc(F)nc1\n",
      "O=C(c1ccccc1)N1Cc2ccccc2[C@@H]2OC(c3ccc(OCCCO)cc3)=N[C@]2(Cc2ccccc2)C1=O\n",
      "CC(C)(C)n1ncc2c(=O)n(Cc3c(Cl)cccc3Br)cnc21\n",
      "CN(C)CC[C@H](c1ccc(Cl)cc1)c1ccccn1\n",
      "CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C\\C=C\\C=C\\1C\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(C#CCN(C)C)cnc2O[C@H]1CN(C)Cc1ccc(-c2ccccc2)cc1\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)CC1CC1)O2\n",
      "O=C1NC(=O)C(c2cn(CCCn3ccnc3)c3ccccc23)=C1Nc1ccccc1\n",
      "c1ccc(-c2nnc(N3CCOCC3)nc2-c2ccccc2)cc1\n",
      "COc1ccc(S(=O)(=O)N(C)C[C@@H]2Oc3c(NC(=O)NC4CCCCC4)cccc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1\n",
      "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C\n",
      "CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1\n",
      "CCCCc1ccc2nc(NC(=O)c3cccs3)sc2c1\n",
      "O=C(Nc1ccccc1)/C(=C/c1ccccc1)NC(=O)c1ccccc1\n",
      "O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1\n",
      "COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccc(F)cc1)CC31CN(Cc2ccccn2)C1\n",
      "N#Cc1ccc(-c2cccs2)nc1SCC(=O)Nc1sc2c(c1C#N)CCCC2\n",
      "COc1cccc(-c2ccc([C@@H]3[C@H](CO)N4CCCCN(C(=O)c5ccc(F)cc5)C[C@@H]34)cc2)c1\n",
      "O=C(c1cnccn1)N(Cc1cccs1)C1(C(=O)NC2CCCCC2)CCCCC1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)c3ccncc3)ccc2O[C@@H]1CN(C)CC1CCCCC1\n",
      "Cc1nc(=O)c2cc(CN(C)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)ccc2[nH]1\n",
      "CC(=O)N1C(=N)S/C(=C/c2cc3ccc(C)cc3nc2O)C1=O\n",
      "Oc1ccc2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2\n",
      "CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21\n",
      "N#C/C(=C\\c1ccc(O)c(O)c1)C(=O)NC1CCC(CC2CCC(NC(=O)/C(C#N)=C/c3ccc(O)c(O)c3)CC2)CC1\n",
      "N#C[C@H]1[C@@H](c2ccc(C3=CCCCC3)cc2)[C@H](CO)N1C(=O)Cc1ccncc1\n",
      "COc1ccc(CN(C)C[C@@H]2OCCCC[C@@H](C)Oc3ccc(NC(=O)NC4CCCCC4)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1\n",
      "O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2cccc(C(F)(F)F)c2)O1)NCCc1ccncc1\n",
      "CCS(=O)(=O)NCC[C@H]1CC[C@H](NC(=O)C2CCCCC2)[C@@H](CO)O1\n",
      "CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21\n",
      "CC(=O)Nc1cccc(-c2csc(Nc3cc(C)ccn3)n2)c1\n",
      "CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@@H]21\n",
      "Cc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3cccc(C(=O)O)c3)C2=O)cc1\n",
      "C/C=C/c1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)S(=O)(=O)c1ccc(F)cc1)O2\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2cncnc2)Oc2cc(C3=CCCCC3)ccc2S1(=O)=O\n",
      "N#CCCSCc1ccc2oc(C(=O)O)cc2c1\n",
      "Cc1ccc(-c2cnc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)CC2CCCC2)O3)cc1\n",
      "Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)CC2CCCCC2)O3)cc1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)NC2CCCCC2)Oc2c(cccc2N(C)C)C1=O\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc3c(c2)OCO3)Oc2cc(C#CCN(C)C)ccc2S1(=O)=O\n",
      "CNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccc(Cl)c(Cl)c2)O1\n",
      "O=C1C(=O)C(O)C(=O)C(=O)C1O\n",
      "C[C@H]1CCCCO[C@@H](CN(C)CC2CC2)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3cccc4ccccc34)ccc2O1\n",
      "Cc1ccc(CN2C(=O)[C@H]3Cc4c([nH]c5ccccc45)C(C)(C)N3C2=O)cc1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2O[C@H](C)CCCCO[C@H]1CN(C)C(=O)Nc1cccc2ccccc12\n",
      "CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C\n",
      "NCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)c3ccccc3)ccc2O[C@H](C)CCCCO[C@@H]1CN(C)C(=O)c1ccncc1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(F)cc3)ccc2O[C@H]1CN(C)CC1CCCCC1\n",
      "Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1\n",
      "N#C[C@@H]1[C@@H](c2ccc(C3=CCCCC3)cc2)[C@H](CO)N1C(=O)CN1CCOCC1\n",
      "CC(=O)N[C@@H]1C/C=C/CCC(=O)N[C@H](c2ccccc2)COC1=O\n",
      "COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC\n",
      "Cc1noc(C)c1S(=O)(=O)N(C)C[C@H]1Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C(=O)N([C@@H](C)CO)C[C@H]1C\n",
      "O=C(NC[C@@H]1[C@@H](c2ccccc2)[C@@H](CO)N1Cc1cccnc1)c1ccccn1\n",
      "COC(=O)CCCCCCC(=O)N/N=C/c1ccccc1C(=O)O\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc4c(c3)OCO4)ccc2O[C@H](C)CCCCO[C@H]1CN(C)Cc1ccc2c(c1)OCO2\n",
      "CCN(Cc1cccs1)c1ncnc2ccc(-c3ccc4c(c3)OCO4)cc12\n",
      "CCc1csc(N2[C@@H](C#N)[C@@H](c3ccc(C4=CCCC4)cc3)[C@@H]2CO)n1\n",
      "Clc1cccc(Nc2nnc(-c3ccccc3)c3ccccc23)c1\n",
      "C#C[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@H]4[C@@H]3CC[C@]21CC\n",
      "COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CN(Cc2ccccc2Cl)C1\n",
      "CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C\n",
      "O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(c2ncccn2)CC1\n",
      "C[C@H]1CCCCO[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)NC3CCCCC3)ccc2O1\n",
      "COc1ccc(C(COCCN2CCC[C@H](C(=O)O)C2)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1\n",
      "COc1ccc(CN(C)C[C@H]2OCCCC[C@H](C)Oc3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1\n",
      "CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12\n",
      "C[C@@H](O)C#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(CC4CCOCC4)C[C@@H]23)cc1\n",
      "CCOc1ccc(-c2nc(CSCC(=O)NC3CCC3)c(C)o2)cc1\n",
      "O=S(=O)(NCCCNS(=O)(=O)c1c(F)cccc1F)c1ccc2c(c1)OCCO2\n",
      "NCCCCCNC(=O)[C@H]1C[C@H]2C(=O)NCC(=O)N2[C@H]1c1ccc(O)cc1\n",
      "COc1cc(C)c(C=CC(C)=CC=CC(C)=CC(=O)O)c(C)c1C\n",
      "C[C@H]1CCCCO[C@H](CN(C)C(=O)Nc2cccc3ccccc23)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O1\n",
      "Cc1csc(N(C)C(=O)CSc2ccc(-c3ccccc3)nn2)n1\n",
      "CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)c1ccncc1)OCCCC[C@@H](C)O2\n",
      "Cc1ccc(S(=O)(=O)N(C)C[C@H]2OCCCC[C@H](C)Oc3ccc(NC(=O)Nc4ccccc4)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1\n",
      "C1=C(c2ccccc2)Nc2nnnn2C1\n",
      "O=S(=O)(c1ccccc1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1\n",
      "CCc1nn(CCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)n1CCOc1ccccc1\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)Cc1ccccc1)OCCCC[C@H](C)O2\n",
      "Cc1nc(SCc2nc3ccccc3[nH]2)c2oc3ccccc3c2n1\n",
      "[N-]=[N+]=Nc1ccccc1C[C@@]1(C(=O)N2CCCCC2)N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1N=[N+]=[N-]\n",
      "Cl[Co]Cl\n",
      "CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc2ccccc21)C(C)C\n",
      "COc1ccc(C(=O)Nc2cc(Cl)c(Br)cc2C(=O)O)cc1\n",
      "CCCN(C)C[C@H]1OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2C(=O)N([C@@H](C)CO)C[C@H]1C\n",
      "C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C\n",
      "O=C(OCC#CCSc1nnc(-c2cccc3ccccc23)o1)c1ccc(F)cc1F\n",
      "O=C(CN1C2=NCCN2c2ccccc21)c1ccc(-c2ccccc2)cc1\n",
      "C[C@H]1CCCCO[C@H](CN(C)CC2CC2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2O1\n",
      "O=C(N1CCC(n2nc(-c3ccccc3)oc2=O)CC1)C1(c2ccccc2)CCCC1\n",
      "C[C@H]1CCCCO[C@@H](CN(C)S(=O)(=O)c2ccc(F)cc2)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2O1\n",
      "COc1ccc(NC(=O)N2CCCCN3[C@H](CO)[C@@H](c4ccc(C5=CCCC5)cc4)[C@@H]3C2)cc1\n",
      "Cc1ccc(NC(=O)CCC(=O)N/N=C/c2ccco2)c(C)c1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NS(C)(=O)=O)ccc2O[C@H]1CN(C)C(=O)Nc1cccc2ccccc12\n",
      "CC(=O)N(C)C[C@H]1Oc2cc(C3=CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C\n",
      "Cc1nc(N2CCN(C(=O)c3ccco3)CC2)c2c3c(sc2n1)CCCC3\n",
      "CC(=O)O[C@@]12C[C@@H](C)[C@@]3(O)[C@@H](C=C(CO)C[C@]4(O)C(=O)C(C)=C[C@H]43)[C@@H]1C2(C)C\n",
      "Cc1nc(N)c2c(Cc3cccc4ccccc34)nn(C(C)(C)C)c2n1\n",
      "COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)C3CC4CC(C3)CC2C4)nn1-c1ccc(C(=O)N(C)CCCN(C)C)cc1C(C)C\n",
      "COc1ccc(CN(C)C[C@H]2OCCCC[C@@H](C)Oc3ccc(NC(=O)Nc4cccc5ccccc45)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1\n",
      "CNCCC=C1c2ccccc2CCc2ccccc21\n",
      "CCCOc1ccc(Cl)cc1Nc1nc(NCCO)nc(N2CCCC2)n1\n",
      "Cn1c2cc(Br)sc2c2cnn(Cc3c(F)cccc3Cl)c(=O)c21\n",
      "CO[C@@]1(NC(=O)C2SC(=C(C(N)=O)C(=O)O)S2)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21\n",
      "CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O\n",
      "COc1ccc2c(c1OC)C(=O)O[C@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C\n",
      "CNCCc1ccccn1\n",
      "CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1\n",
      "CN1C[C@@H](NS(=O)(=O)N(C)C)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21\n",
      "CC(=O)N[C@@H]1C/C=C/CCC(=O)N[C@H](c2ccc(F)cc2)COC1=O\n",
      "CCCN(C)C[C@@H]1Oc2ncc(C#CCN(C)C)cc2C(=O)N([C@H](C)CO)C[C@@H]1C\n",
      "O=c1c([N+](=O)[O-])c(Cl)c2ccccc2n1Cc1ccccc1\n",
      "O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1\n",
      "COc1ccc(C[C@H]2NC[C@H](O)[C@H]2OC(C)=O)cc1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)NC3CCCCC3)ccc2O[C@H](C)CCCCO[C@@H]1CN(C)Cc1ccc(Cl)c(Cl)c1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)Cc1cccc(C(F)(F)F)c1\n",
      "COc1cccc(CN2[C@H](CO)[C@H]3c4ccccc4N(C(=O)c4ccncc4)C[C@H]32)c1\n",
      "C[C@H]1CCCCO[C@@H](CN(C)S(=O)(=O)c2ccc(F)cc2)[C@H](C)CN([C@@H](C)COC(=O)C(C)(C)C)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2O1\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "COC(=O)N1C(=O)[C@@](c2ccc(Cl)cc2)(C(C)C)N1C(=O)OC\n",
      "c1ccc(CN2C[C@H]3N[C@@H](C2)[C@H]3c2ccc(-c3ccncc3)cc2)cc1\n",
      "CCCC(=O)N1CC2(C1)CN(C(=O)Nc1cccc(F)c1)[C@@H](CO)c1c2c2ccc(OC)cc2n1C\n",
      "O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)SC(=S)N1CCS(=O)(=O)O\n",
      "COc1ccc(C#Cc2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)C2CCCC2)[C@@H](CO)N3)cc1\n",
      "Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1\n",
      "C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO\n",
      "Cc1ccc2oc(-c3cccc(NC(=O)c4cc(-n5cnnc5)ccc4Cl)c3)nc2c1\n",
      "C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)C(=O)C1CCOCC1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O[C@H](C)CCCCO[C@H]1CN(C)C(=O)Nc1cccc2ccccc12\n",
      "CCOC(=O)C1CCN(C(=O)C(C)(C)NC(=O)Nc2ccc(N(C)C)cc2)CC1\n",
      "S=c1[nH]cnc2nc[nH]c12\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3cccc4ccccc34)ccc2O[C@@H]1CN(C)Cc1ccc(C(F)(F)F)cc1\n",
      "COc1ccc(S(=O)(=O)Nc2cccnc2Nc2ccc(O)cc2)cc1\n",
      "O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2S(=O)(=O)c2ccccc2)O1)Nc1ccc(-c2ccccc2)cc1\n",
      "CN(C)CC(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1\n",
      "O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)SC(=S)N1CCS(=O)(=O)O\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)C3CCCCC3)c2O[C@H]1CN(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1\n",
      "CC(C)(C)Oc1ccccc1Nc1nc(NCCO)nc(N2CCCC2)n1\n",
      "Cc1[nH]c(/C=C2/C(=O)Nc3ccccc32)c(C)c1CCC(=O)O\n",
      "CCCCNc1ccc(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC)cc1\n",
      "CCS(=O)(=O)N1CC2(CN(Cc3cc(F)ccc3F)[C@@H](CO)c3c2c2ccc(OC)cc2n3C)C1\n",
      "N#CC(=C(/N)Sc1ccccc1N)/C(C#N)=C(/N)Sc1ccccc1N\n",
      "C[C@H](NC(=O)C[C@@H]1CC[C@@H](NS(=O)(=O)c2cccc(F)c2)[C@@H](CO)O1)c1ccccc1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccccc2F)Oc2ncc(C#CCN(C)C)cc2C1=O\n",
      "COc1cc(C[C@@H](CO)[C@H](CO)Cc2ccc(O)c(OC)c2)ccc1O\n",
      "C[C@H]1CCCCO[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2O1\n",
      "O=C(O)Cc1ccc(-c2ccccc2)cc1\n",
      "CN(C)CC(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NCc3cc(F)ccc3F)O[C@H](CO)[C@@H]1O2\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc1ccccc1)OCCCC[C@H](C)O2\n",
      "C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CCN(C)C)cc2O[C@@H]1CN(C)CC1CCCC1\n",
      "S=c1ccss1\n",
      "O=C(O)c1ccc(-c2noc(-c3ccccc3Cl)n2)cc1\n",
      "CNC[C@@H]1OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2C(=O)N([C@H](C)CO)C[C@H]1C\n",
      "CN(C)C(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@H]2N1CCC(F)(F)F\n",
      "COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(OC)cc2)O3)cc1\n",
      "O=C(Nc1ccccc1-c1nc2ccccc2nc1O)c1cccs1\n",
      "O=c1ncn2nc(Sc3ccc(F)cc3F)ccc2c1-c1c(Cl)cccc1Cl\n",
      "NC(=O)c1ccc2[nH]ccc2c1\n",
      "O=C(COc1ccc(Cl)cc1Cl)NN=Cc1ccc[nH]1\n",
      "O=C(c1ccncc1)N1CCN(c2cc(-c3ccccc3)nc3cc(-c4cccc(Cl)c4)nn23)CC1\n",
      "C[C@]12C[C@@H]3C[C@](C)(C1)C[C@@](N)(C3)C2\n",
      "C/C=C/c1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)Nc4ccc(F)cc4)C[C@@H]23)cc1\n",
      "CN(C)[N+][O-]\n",
      "COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1\n",
      "O/N=C(/Cn1nnc(N2CCCC2)n1)c1ccc(Cl)cc1\n",
      "Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(I)cc1\n",
      "C(=C/c1ccccc1)\\CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1\n",
      "CCCN1CNc2c(c(=O)[nH]c(=S)n2CCc2c(Cl)cccc2Cl)C1\n",
      "COc1c(O)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1\n",
      "C/C=C/c1ccc([C@H]2[C@@H](CNC(=O)NC(C)C)N(C(=O)C3CC3)[C@H]2CO)cc1\n",
      "CCCN(C)C[C@@H]1Oc2cc(-c3ccccc3C)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C\n",
      "CC(C)NC(=O)N(C)C[C@@H]1OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2C(=O)N([C@H](C)CO)C[C@@H]1C\n",
      "Nc1nc(N)c2nc(-c3ccccc3)c(N)nc2n1\n",
      "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C\n",
      "O=C(C[C@@H]1C/C=C/CCC(=O)OC[C@H]2CCCN2C1=O)NCc1ccc(Cl)cc1\n",
      "COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1\n",
      "CCOC(=O)c1ccc(-c2ccc3ncnc(N(C)Cc4sccc4C)c3c2)o1\n",
      "CC(C)=CCc1c(O)c(C(=O)CC(C)C)c2oc(=O)cc(-c3ccccc3)c2c1O\n",
      "Clc1ccc2[nH]c(CNc3nc(N4CCOCC4)nc4c3ncn4-c3ccsc3)nc2c1\n",
      "CNC(=C[N+](=O)[O-])NCCSCc1csc(CN(C)C)n1\n",
      "COc1ccc(-c2nc3ccccc3c(=O)n2Cc2ccccc2)cc1COc1ccc(NC(C)=O)cc1\n",
      "CC(C)NC(=O)N(C)C[C@@H]1Oc2ccc(N(C)C)cc2CC(=O)N([C@@H](C)CO)C[C@H]1C\n",
      "CC(C)C[C@@H](C(=O)N[C@H](C(=O)OC1CCCC1)c1ccccc1)[C@H](O)C(=O)NO\n",
      "COc1ccc(NC(=O)c2ccccc2SCc2ccccc2)cc1\n",
      "CCCCC(C)(C)[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\\CCCC(=O)O\n",
      "COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)c1cccc(F)c1)CC31CCN(C(=O)c2ccccc2)CC1\n",
      "C[C@@H]1C[C@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl\n",
      "O=S1(=O)Nc2c(ccc3cccnc23)-c2ccccc21\n",
      "COc1ccc(NC(=O)N(C)C[C@H]2OCCCC[C@@H](C)Oc3ccc(NC(=O)C4CCCCC4)cc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1\n",
      "O=C(c1ccoc1)N1CCN(c2cc(-c3ccncc3)nc3cc(-c4cccc(Cl)c4)nn23)CC1\n",
      "COc1ccc(C#Cc2cnc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)CC2CCCC2)O3)cc1\n",
      "COCC#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(S(=O)(=O)c4ccccc4C)C[C@@H]23)cc1\n",
      "O=C1N[C@H](C(=O)O)CS1\n",
      "COc1ccc(-c2nc(-c3ccc(C(=O)O)cc3)no2)cc1\n",
      "COc1c(C)c2c(c(O)c1C/C=C(\\C)CCC(=O)OCCN1CCOCC1)C(=O)OC2\n",
      "C[C@@H](Oc1cc(-n2cnc3ccc(CN4CCN(C)CC4)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3cccc4ccccc34)ccc2O[C@H](C)CCCCO[C@@H]1CN(C)Cc1ccc(C(F)(F)F)cc1\n",
      "C[C@H]1CCCCO[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2O1\n",
      "COc1ccc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1OC\n",
      "Fc1cccc(CNc2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)c1\n",
      "COc1cccc(-c2nc(SC)nc3sc(C(=O)NC(C)(C)C)c(N)c23)c1\n",
      "CCOC(=O)c1cnc(SCC(=O)N2CCc3ccccc32)nc1N\n",
      "COc1ccc(-c2cc(=S)ss2)cc1\n",
      "CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccccc2F)Oc2ncc(C3=CCCCC3)cc2C1=O\n",
      "COc1cccc(-c2ccc([C@H]3[C@H]4CN(S(=O)(=O)Cc5ccccc5)C[C@@H]3N4)cc2)c1\n",
      "CC(=O)Nc1ccc2sn(-c3ccccc3)c(=O)c2c1\n",
      "C=CC(=O)Nc1cccc(Nc2nc(N[C@H]3CC[C@H](N(C)C)CC3)nc3c2ncn3C(C)C)c1\n",
      "Fc1ccc(C(OCCN2CCN(C/C=C/c3ccccc3)CC2)c2ccc(F)cc2)cc1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(C#CCN(C)C)cnc2O[C@@H]1CN(C)Cc1ccc2c(c1)OCO2\n",
      "Cn1cnc(CCNC(=O)C[C@@H]2CC[C@@H]3[C@H](COC[C@H](O)CN3C(=O)Nc3ccc(C(F)(F)F)cc3)O2)c1\n",
      "CCN(C(C)=O)c1cccc(-c2ccnc3c(C#N)cnn23)c1\n",
      "C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccncc3)cc2O[C@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(/C=C/c3ccccc3)cnc2O[C@H]1CN(C)Cc1ccc(F)cc1\n",
      "COc1ccccc1-c1coc2cc(OC)c(OC)c(OC)c2c1=O\n",
      "Cn1c(-c2ccc3c(c2)OCO3)cc(=O)c2ccccc21\n",
      "Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1\n",
      "C[N+]1=Cc2cc3c(cc2CC1)OCO3\n",
      "CCC[C@H](N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)OCC\n",
      "CCOc1ccc(-c2nc(CSCC(=O)NCc3ccco3)c(C)o2)cc1\n",
      "Cc1ccc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)c(C)c1\n",
      "C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12C=C[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O\n",
      "Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C\n",
      "Cc1cccc(Nc2ccccc2C(=O)O)c1C\n",
      "c1ccc(Nc2nc3c(s2)Cc2ccccc2-3)cc1\n",
      "O=C(CSc1cc(Cl)ccc1Cl)N/N=C/c1ccc[nH]1\n",
      "CC(C)NC[C@@H](O)COc1cccc2ccccc12\n",
      "CCCN(C[C@@H]1N[C@@H](CO)[C@H]1c1ccc(-c2cccnc2)cc1)C(C)=O\n",
      "NC(=O)[C@H]1[C@@H]2C(=O)O[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2[C@@H](c2ccc(OCCO)cc2)[C@]12C(=O)Nc1ccc(C#CC3(O)CCCCCC3)cc12\n",
      "COc1cc(/C=C/c2ccc(O)cc2)cc(OC)c1\n",
      "COC(=O)N1C(=O)[C@@](c2ccccc2)(C(C)C)N1C(=O)OC\n",
      "C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O\n",
      "c1cncc(-c2ccc3ncnc(NCc4cccs4)c3c2)c1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2ccccc2-c2ccccc2CO[C@H]1CN(C)S(=O)(=O)c1cccc(C#N)c1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(-c3cc4ccccc4o3)cnc2O[C@H]1CN(C)Cc1cccc(C(F)(F)F)c1\n",
      "CCN(CC)C(=O)C(C#N)=Cc1cc(O)c(O)c([N+](=O)[O-])c1\n",
      "Brc1ccc(-c2csc(N3CCNCC3)n2)cc1\n",
      "CC1CCN(CCCC(=O)c2ccc(F)cc2)CC1\n",
      "C=CCc1cccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3)CC2)c1O\n",
      "Cc1ccccc1-c1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccncc4)C[C@H]23)cc1\n",
      "Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1\n",
      "Cc1onc(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1[N+](=O)[O-]\n",
      "C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)CCl\n",
      "CCOc1cc(/C=C2\\C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCC(=O)OC\n",
      "O=C(NC1CCC1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@@H]1N2Cc1cocn1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O\n",
      "Oc1ccc(CNc2cccnc2)c2cccnc12\n",
      "C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)C(=O)c1ccc(F)cc1\n",
      "Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)S(=O)(=O)c1ccc(Cl)cc1)OCCCC[C@H](C)O2\n",
      "CCCCCCCCc1ccc(-c2ccc(C(=O)O)cc2)cc1\n",
      "COc1ccccc1N1CCN(CCN2C(=O)c3ccccc3C(C)(C)C2=O)CC1\n",
      "O=S(=O)(c1cccc2c(I)cccc12)N1CCCNCC1\n",
      "CN(C)CC#Cc1ccc([C@H]2[C@H]3CN(CC4CC4)CCCCN3[C@H]2CO)cc1\n",
      "COc1ccccc1CN1C(=O)c2ccccc2[C@](Cc2ccccc2I)(C(=O)NCCCN(C)C)[C@@H]1c1ccc(CO)cc1\n",
      "COc1ccc(CN(C)C[C@H]2OCCCC[C@@H](C)Oc3ccc(NC(=O)c4ccncc4)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1\n",
      "COc1cccc(-c2nc(-c3ccc(NC(=O)Cc4ccccc4OC)cc3)no2)c1\n",
      "O=C(Nc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl\n",
      "COc1ccc(-c2ccc(N)[n+](CCCC(=O)O)n2)cc1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O[C@@H]1CN(C)S(=O)(=O)c1ccc(F)cc1\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "C[C@@H]1CCCCO[C@@H](CN(C)C(=O)Nc2ccccc2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O1\n",
      "Cc1ccc(S[C@]2(C(=O)NC(C)C)CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c2ccc(CO)cc2I)cc1\n",
      "COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(OC)cc2)O3)cc1\n",
      "COc1c(C=O)c(O)cc2c1C(=O)c1ccccc1C2=O\n",
      "NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O\n",
      "Nc1nc2ccccc2n1S(=O)(=O)c1ccc([N+](=O)[O-])cc1\n",
      "Cc1cc(C(=O)NNCc2ccccc2)no1\n",
      "C[C@@H]1CCCCO[C@@H](CN(C)CC2CCCCC2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)c3ccccc3)ccc2O1\n",
      "O=C(O)[C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O\n",
      "OC[C@H]1[C@@H](c2ccc(-c3cccnc3)cc2)[C@H]2CN(CC3CC3)CCCCN21\n",
      "C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)S(=O)(=O)c1ccc(F)cc1\n",
      "C=C1/C(=C\\C=C2/CCC[C@]3(C)[C@@H]2CC[C@H]3[C@H](C)CCCC(C)C)C[C@@H](O)C[C@@H]1O\n",
      "C[N+]1(C)CCC(=C(c2ccccc2)c2ccccc2)CC1\n",
      "Cc1noc(C)c1-c1ccc2ncnc(O)c2c1\n",
      "C[C@H]1CCCCO[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O1\n",
      "Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1\n",
      "O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1\n",
      "CC(C)OC(=O)N(C)C[C@H]1OCc2cn(nn2)CCCC(=O)N([C@@H](C)CO)C[C@@H]1C\n",
      "COc1ccc(S(=O)(=O)N(CCO)c2ccccc2CN(C)C/C=C/c2ccc(Cl)cc2)cc1\n",
      "Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1\n",
      "CCCCCCN1CCN(c2cccc(Cl)c2)CC1\n",
      "C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)c3ccc(-c4nccs4)cc3)c2O[C@@H]1CN(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1\n",
      "C[C@H]1CCCCO[C@@H](CN(C)C(=O)CCC(F)(F)F)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2O1\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc1ccc3c(c1)OCO3)O2\n",
      "CC(C)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1\n",
      "CC(=O)Nc1sc2c(c1-c1cc3ccccc3o1)CCNC2\n",
      "COc1nc(-c2ccccc2)nnc1-c1ccccc1\n",
      "CN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3c(c2)OCO3)C1=O\n",
      "CCCCc1c(-c2ccc(O)cc2)[nH]c2nccnc12\n",
      "CNC(=O)c1ccc(Nc2cc(Nc3ccccc3S(=O)(=O)C(C)C)c3cc[nH]c3n2)nc1\n",
      "CC/C(=C(\\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1\n",
      "CCOc1ccccc1CNCCN1CCOCC1\n",
      "C[C@H](NC(=O)C[C@@H]1CC[C@@H](NC(=O)c2cccnc2)[C@@H](CO)O1)c1ccccc1\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)C1CCCCC1)OCCCC[C@H](C)O2\n",
      "CN(c1ccccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O\n",
      "OC[C@H]1[C@@H](c2ccc(-c3cccnc3)cc2)[C@@H]2CN(CC3CCOCC3)CCCCN12\n",
      "Cn1nc(Cc2cccc3ccccc23)c(C#N)c1N\n",
      "Cc1cn([C@H]2C=C[C@@H](CO)O2)c(=O)[nH]c1=O\n",
      "O=C(O)CCNC(=O)c1cncc(Br)c1\n",
      "CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1\n",
      "C=C1C[C@@H]2[C@@H](CC[C@]3(C)C(=O)CC[C@H]23)[C@@]2(C)C=CC(=O)C=C12\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)CCN3CCOCC3)cc2C1=O\n",
      "COc1cccc(-c2ccc3ncnc(NCc4cc(C)cs4)c3c2)c1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(C3=CCCCC3)cnc2O[C@@H]1CN(C)C(=O)Cc1ccncc1\n",
      "Cn1c(SCC(=O)NN=Cc2ccc([N+](=O)[O-])s2)nnc1-c1ccc(Cl)cc1\n",
      "C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#CC3CCCC3)cc2O[C@H]1CN(C)C(=O)Nc1cc(F)ccc1F\n",
      "O=C(NCc1ccccc1Br)c1cccs1\n",
      "CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C\n",
      "CCN(CC)C(=O)c1cccc(C)c1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc3c(c2)OCO3)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O\n",
      "CCCC[C@H]1OB(O)C[C@H]2C1=C(COC)Cn1c(=O)n(-c3ccccc3)c(=O)n12\n",
      "CN1C(=O)CC[C@H]1c1cccnc1\n",
      "N#Cc1cccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)c5ccc6c(c5)OCO6)C[C@@H]3N4)cc2)c1\n",
      "COCC(=O)N1CC2(C1)CN(Cc1cccc(OC)c1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12\n",
      "CN(C)CC=C(c1ccc(Br)cc1)c1cccnc1\n",
      "CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](OC(=O)Nc2ccccc2)[C@H]1OC(=O)Nc1ccccc1\n",
      "Nc1cccc(-c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2)c1\n",
      "CC(C)NC(=O)N(C)C[C@@H]1OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C\n",
      "CCn1cc(NC(=S)Nc2cc(Cl)ccc2OC)c(C(N)=O)n1\n",
      "Cn1c([N+](=O)[O-])cnc1COC(N)=O\n",
      "CN1CCc2cc(Cl)c(O)cc2[C@H]2c3ccccc3CC[C@@H]21\n",
      "O=C(NCc1cccc2ccsc12)c1cccs1\n",
      "Cc1ccccc1-c1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)CC1CCOCC1)O2\n",
      "COc1cccc2cc(-c3nc([C@H]4CC[C@@H](C(=O)O)CC4)n4ncnc(N)c34)[nH]c12\n",
      "CCCCN(CCCNC(=S)NCCCc1c[nH]cn1)c1ccc(Br)cn1\n",
      "O=C1NC(=O)/C(=C/c2ccco2)N1\n",
      "C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@@H]1CN(C)C(=O)c1ccc(F)cc1\n",
      "OC[C@H]1O[C@@H](n2cnc3c(NCc4ccco4)ncnc32)[C@H](O)[C@@H]1O\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCC(F)(F)F)ccc2O[C@H](C)CCCCO[C@@H]1CN(C)C(=O)Nc1ccccc1\n",
      "CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1\n",
      "COc1ccc2c(c1)c(CC(=O)N1CCOCC1)c(C)n2C(=O)c1ccc(Cl)cc1\n",
      "O=S(=O)(c1c(F)cccc1F)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1\n",
      "O=C(C1CCN(c2nc(-c3ccc(Br)cc3)cs2)CC1)N1CCNCC1\n",
      "O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2cccc(C(F)(F)F)c2)O1)NCCc1ccncc1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O[C@@H]1CN(C)CC1CC1\n",
      "COc1ccc(-c2c(O)c3c(OC)c4c(cc3oc2=O)OC(C)(C)CC4)cc1\n",
      "COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1O\n",
      "CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21\n",
      "COC(=O)c1ccc(O)c2oc3cc(CO)cc(O)c3c(=O)c12\n",
      "O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccc(C(F)(F)F)cc2)O1)N1CCc2ccccc2C1\n",
      "C[C@H]1CCCCO[C@@H](CN(C)CC2CC2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)c3ccccc3)ccc2O1\n",
      "O=C1NCN(c2ccccc2)C12CCN(CCCOc1ccc(F)cc1)CC2\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O[C@@H]1CN(C)Cc1ccc(-c2ccccc2)cc1\n",
      "Cn1c2ccccc2c2nnc(SCC(=O)c3ccc(Cl)cc3)nc21\n",
      "Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1\n",
      "COc1ccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(Cc5ccccc5)C[C@@H]34)cc2)cc1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NS(C)(=O)=O)c2O[C@@H]1CN(C)Cc1ccc(Cl)c(Cl)c1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2CC1=O\n",
      "O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O\n",
      "O=C1C[C@@H](c2ccccc2)Oc2cc(O)cc(O)c21\n",
      "N#Cc1cccc(-c2ccc([C@H]3[C@@H](CO)N[C@@H]3CNC(=O)C3CCC3)cc2)c1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3cccc4ccccc34)cc2C1=O\n",
      "COc1ccc(NC(=O)N2CCC3(CC2)CN(C(=O)C2CCC2)[C@@H](CO)c2c3c3ccc(OC)cc3n2C)cc1\n",
      "C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CCN(C)C)cc2O[C@H]1CN(C)Cc1ccncc1\n",
      "O=C(O)c1cccc(-c2noc(-c3ccccc3F)n2)c1\n",
      "CC(C)N1CCN(c2ccc(C(=O)c3c(-c4ccc(O)cc4)sc4cc(O)ccc34)cc2)CC1\n",
      "O=C(O)c1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O\n",
      "NC(=O)Nc1ccc([As](=O)(O)O)cc1\n",
      "FC(F)(F)c1cccc(N2CCNCC2)c1\n",
      "Cc1ccc(C(=O)N2c3ccccc3Sc3ccccc32)cc1\n",
      "Cc1nc(=O)c2c([nH]1)CCSC2\n",
      "C[C@H]1CCCCO[C@H](CN(C)Cc2ccc3c(c2)OCO3)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(N(C)C)ccc2O1\n",
      "Cc1ccc(-c2nnc(N3CCC(C)CC3)c3ccccc23)cc1C\n",
      "C=CCNC(=O)[C@@H]1[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@H](c2ccccc2OCCO)[C@@]12C(=O)N(C(=O)OCCOC)c1ccc(C#CCC(C(=O)OC)C(=O)OC)cc12\n",
      "CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3C(=O)N2C)O1\n",
      "COc1ccc(C2=Nn3c(nnc3-c3ccccc3OC)SC2)cc1OC1CCCC1\n",
      "C[C@H](NC(=O)C[C@H]1CC[C@H](NC(=O)c2cccnc2)[C@H](CO)O1)c1ccccc1\n",
      "COCC(=O)N1CC2(CCN(Cc3cccnc3)CC2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO\n",
      "OC(c1ccccc1)(c1ccccc1)C1CCN(CCCOc2ccccc2)CC1\n",
      "CN(C)c1ccc(C(=O)OCC#CCSc2nnc(-c3cccc4ccccc34)o2)cc1\n",
      "Cc1ccccc1/C=N/NC(=O)CCCCCC(=O)O\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2CC1=O\n",
      "Cc1ccc(F)c(Cn2cnc3c(cnn3C(C)(C)C)c2=O)c1Cl\n",
      "Nn1c(C(=O)NCc2cccnc2)nc2ccccc2c1=O\n",
      "Oc1ccc(CCc2ccccc2)c2cccnc12\n",
      "O=S(=O)(NCC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1)c1c(F)cccc1F\n",
      "C[C@H]1CCCCO[C@H](CN(C)C(=O)CCCN(C)C)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(F)cc3)ccc2O1\n",
      "CN1CCN(Cc2cc(COCc3ccccc3)c3cccnc3c2O)CC1\n",
      "C[S+](O)c1ccc(CSc2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1\n",
      "O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2ccccc2F)O1)NCc1ccc(Cl)c(Cl)c1\n",
      "COc1ccc(COC[C@H](C)N2C[C@@H](C)[C@H](CN(C)S(=O)(=O)c3ccc(F)cc3)OCCCC[C@H](C)Oc3ccc(NC(=O)Nc4ccccc4)cc3C2=O)cc1\n",
      "CCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1\n",
      "O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)SC(=S)N1CCS(=O)(=O)O\n",
      "CN(C[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1CC1CC1)C(=O)c1cccc(F)c1\n",
      "CCCCc1ccc2nc(NC(=O)c3ccco3)sc2c1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccccc3)cc2CC1=O\n",
      "C/C=C(C(=C/C)/c1ccc(O)cc1)\\c1ccc(O)cc1\n",
      "O=C(c1c(F)cccc1F)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1\n",
      "C=CCn1c(SCC(=O)O)nnc1-c1cccc(C)c1\n",
      "CC(C)CN1CCN(C(=O)COC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1\n",
      "CS(=O)(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#Cc3ccc(F)cc3)cc1)[C@@H]2CO\n",
      "CO[C@@H]1CN(C)C(=O)c2cc(C#N)ccc2OC[C@H]2O[C@@H](CC[C@@H]2OC)CCN(C)C(=O)[C@H]1C\n",
      "CCOC(=O)O[C@]1(C(=O)COC(=O)CC)CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)CC2CC2)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2C1=O\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)CC1CC1)O2\n",
      "C[C@H]1CCCCO[C@@H](CN(C)Cc2ccccc2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)Cc3ccccc3)ccc2O[C@@H]1CN(C)Cc1ccc(C(F)(F)F)cc1\n",
      "Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Cc2ccncc2)Oc2ncc(C3=CCCCC3)cc2C1=O\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(-c3cncnc3)cnc2O[C@@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc4c(c3)OCO4)ccc2O[C@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1\n",
      "CCC(=O)N1C[C@@H](O)COC[C@@H]2O[C@@H](CC(=O)NCc3cc(F)cc(F)c3)CC[C@H]21\n",
      "CCc1ccc2c(CN3CCc4cc(OC)c(OC)cc4C3)cc(=O)oc2c1\n",
      "CN1C(=O)c2cc(NS(C)(=O)=O)ccc2OC[C@@H]2O[C@@H](CC(=O)NCc3ccc(-c4ccccc4)cc3)CC[C@H]21\n",
      "C[C@H]1CCCCO[C@@H](CN(C)Cc2ccc3c(c2)OCO3)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(N(C)C)ccc2O1\n",
      "C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)C(=O)Cc1ccncc1\n",
      "CN1C[C@H](O)COC[C@@H]2O[C@@H](CC(=O)NC3CCC3)CC[C@H]21\n",
      "CCn1c2ccccc2c2nnc(SCCCn3c(O)nc4ccccc43)nc21\n",
      "C[C@H]1CCCCO[C@@H](CN(C)CC2CCCCC2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O1\n",
      "O=C(OCC#CCSc1nnc(-c2cccc3ccccc23)o1)c1ccncc1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc4c(c3)OCO4)ccc2O[C@H](C)CCCCO[C@@H]1CN(C)Cc1ccc(Cl)c(Cl)c1\n",
      "O=C(Cc1cccnc1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C3=CCCCC3)cc1)[C@@H]2CO\n",
      "CN1CCCCN2[C@H](C1)[C@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H]2CO\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(C#Cc3cccnc3)cnc2O[C@H]1CN(C)Cc1ccc(F)cc1\n",
      "CSc1nc(-c2ccc(C)cc2)nc(C(Cl)Cl)n1\n",
      "O=c1oc(-c2ccc(C(F)(F)F)cc2)nn1Cc1cc(Cl)ccc1O\n",
      "C[C@H]1CCCCO[C@@H](CN(C)Cc2ccncc2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2O1\n",
      "CN(C)c1ccc(/C=C2\\C(=O)Nc3ccccc32)c2ccccc12\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)Nc3ccc(F)cc3)c2O[C@@H]1CN(C)S(=O)(=O)c1ccc(Cl)cc1\n",
      "O=C1c2ccccc2C(=O)N1c1cccc(-c2cs/c(=N\\c3ccccc3)n2CCO)c1\n",
      "C=CC(=O)c1ccc2ccccc2c1\n",
      "N#C[C@@H]1[C@H](c2ccc(C3=CCCCC3)cc2)[C@@H](CO)N1C(=O)CN1CCOCC1\n",
      "COc1cc2c(cc1OC)[C@@H]1CC(=O)[C@@H](CC(C)C)CN1CC2\n",
      "Cc1cccn2c(=O)c(/C=N/c3ccc(Cl)cc3)c(NCCO)nc12\n",
      "CCN(CC)c1cc(C)nc2ncnn12\n",
      "NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CCc2ccc3c(c2)CCO3)C1\n",
      "Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1\n",
      "CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc21\n",
      "CC(=O)c1c(C)[nH]c(C(=O)Nc2ccccc2C)c1C\n",
      "CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCOCC3)cc2OC[C@H](C)N(Cc2nccs2)C[C@@H]1C\n",
      "Cc1ccc(C(C)C)c(O)c1C(=O)O\n",
      "CCNc1nc(C#N)nc2c1ncn2-c1cc(F)cc(F)c1\n",
      "COc1ccc(-c2cc3nc(-c4ccccc4)cc(N4CCN(C(C)=O)CC4)n3n2)cc1\n",
      "O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@@H]1O\n",
      "Cc1ccccc1-c1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)CC1CCCCC1)O2\n",
      "COc1ccc(C#Cc2ccc3c(c2)[C@]2(C(=O)N3)[C@H](C(=O)N3CCCCCCC3)[C@H]3C(=O)O[C@H](c4ccccc4)[C@H](c4ccccc4)N3[C@@H]2c2ccccc2OCCO)cc1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)NC3CCCCC3)c2O[C@@H]1CN(C)Cc1ccc(C(F)(F)F)cc1\n",
      "C[C@H]1CCCCO[C@H](CN(C)C(=O)CCC(F)(F)F)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2O1\n",
      "CC(C)(C=O)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1\n",
      "COc1ccc(CNc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1OC\n",
      "COc1ccc(-c2oc3cc(OC)c(OC)c(OC)c3c(=O)c2OC)cc1OC\n",
      "Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)O\n",
      "CN(C)[C@@H]1CCc2[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc3c2C1\n",
      "Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc3nsnc3c2)cc1\n",
      "O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cccc(C(F)(F)F)c2)O1)NCc1ccc(Cl)cc1\n",
      "COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC\n",
      "Cc1cccc(CN2C(=O)[C@H]3Cc4c([nH]c5ccccc45)C(C)(C)N3C2=O)c1\n",
      "CCC(=O)N(C)C[C@H]1Oc2cc(C3=CCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C\n",
      "C[C@H]1CCCCO[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2O1\n",
      "Cc1nc2ccccc2n1/N=C/c1ccc([N+](=O)[O-])s1\n",
      "CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC1=O\n",
      "CC(=O)OCC(=O)[C@@]12N=C(C)O[C@@H]1C[C@H]1[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C\n",
      "C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Cc3cn(C)c4ccccc34)ccc2O[C@H]1CN(C)Cc1ccc2c(c1)OCO2\n",
      "CCCNC(=O)N(C)C[C@H]1N[C@@H](CO)[C@@H]1c1ccc(C2=CCCCC2)cc1\n",
      "O=C(Cn1ccnc1[N+](=O)[O-])NCCO\n",
      "CS(=O)(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4cccc(C#N)c4)cc3)[C@@H]2C1\n",
      "O=[N+]([O-])c1ncccc1OCCOc1ccc(Cl)cc1Cl\n",
      "CC1=NNC(=O)/C1=C\\c1cn(-c2ccccc2)nc1-c1ccc(F)cc1\n",
      "O=C(OCC#CCSc1nnc(-c2cccc3ccccc23)o1)C1CCCC1\n",
      "CN(C)c1ccc(/C=C2/C(=O)Nc3ccccc32)cc1\n",
      "CC1=CC(=O)C2=C(C)CC[C@H]3[C@H](C)C(=O)O[C@@H]3[C@@H]12\n",
      "CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(OC(=O)CC(C)C)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O)/C=C/C=C\\C[C@@H](C)OC(=O)C[C@H]1OC(C)=O\n",
      "CCCCCCCC/C=C\\C/C=C\\C/C=C\\CCCC(=O)O\n",
      "CC(C)(C)c1ccc(C(=O)Nc2cc(Cl)c(Br)cc2C(=O)O)cc1\n",
      "CC(C)NC(=O)N(C)C[C@H]1OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C(=O)N([C@@H](C)CO)C[C@H]1C\n",
      "C=CCN1C(=O)[C@]2(O[C@H](CCO)[C@@H]([Si](C)(C)c3ccc(OC)cc3)[C@@H]2C)c2cc(NC(C)=O)ccc21\n",
      "COCC(=O)N(C[C@@H]1N[C@@H](CO)[C@H]1c1ccc(C2=CCCCC2)cc1)C(C)C\n",
      "CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)cc1\n",
      "CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1ccncc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O\n",
      "CC(=O)Nc1ccc(NC(=O)c2ccccc2Br)cc1\n",
      "C[C@H](N)[C@H](O)c1cccc(O)c1\n",
      "CC(C)(Sc1ccc(CCN(CCCCC2CCCCC2)C(=O)NC2CCCCC2)cc1)C(=O)O\n",
      "COc1ccccc1/C=C\\C(=O)O\n",
      "Retry on O=C(O)[C@@H]1[C@@H]2C=C[C@@]3(O2)[C@H]1C(=O)N(c1cccc(Cl)c1CO)[C@H]3C(=O)NCc1ccccc1\n",
      "O=C(O)[C@@H]1[C@@H]2C=C[C@@]3(O2)[C@H]1C(=O)N(c1cccc(Cl)c1CO)[C@H]3C(=O)NCc1ccccc1\n",
      "COc1ccccc1O\n",
      "COc1ccc(NC(=O)N2CC(=O)N3[C@H](CO)[C@H](c4ccc(C5=CCCC5)cc4)[C@@H]3C2)cc1\n",
      "CC(C)(N)Cc1ccccc1\n",
      "CC(C)(C)c1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCc4cccnc4)c3)CC2)cc1\n",
      "O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2CC2CCCC2)O1)NCc1ccc(Cl)cc1\n",
      "Cc1cc(-c2nnc3n2CCCCC3)c(C)n1-c1ccccc1\n",
      "COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-]\n",
      "COc1c(C(=O)O)ccc2c1CCC(C)(C)O2\n",
      "C=C1C(=CC=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)C=C[C@@H](O)C2CC2)C[C@@H](O)C[C@@H]1O\n",
      "COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CCN(S(=O)(=O)c2cccc(C)c2)CC1\n",
      "COc1cccc(S(=O)(=O)N(C)C[C@H]2Oc3cc(C4=CCCC4)ccc3S(=O)(=O)N([C@H](C)CO)C[C@@H]2C)c1\n",
      "CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1nc[nH]n1\n",
      "COc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)Nc2ccc(OC)cc2)O3)cc1\n",
      "O=C(c1ccoc1)N1CCN(c2cc(-c3ccccc3)nc3cc(-c4ccc(Br)cc4)nn23)CC1\n",
      "C[C@H]1CCCCO[C@@H](CN(C)C(=O)Cc2ccccc2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)c2O[C@@H]1CN(C)C(=O)NC1CCCCC1\n",
      "COc1ccccc1-c1nnc2n1N=C(c1ccc(OC(F)F)c(OCC3CC3)c1)CS2\n",
      "CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1\n",
      "CC(C)NC(=O)N(C)C[C@@H]1OCCCC[C@@H](C)Oc2ccc(NC(=O)c3ccccc3)cc2C(=O)N([C@H](C)CO)C[C@H]1C\n",
      "CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1\n",
      "C[C@H]1CCCCO[C@H](CN(C)S(C)(=O)=O)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O1\n",
      "CO[C@@H]1CN(C)C(=O)c2cc(C#N)ccc2OC[C@@H]2O[C@@H](CC[C@H]2OC)CCN(C)C(=O)[C@H]1C\n",
      "N#Cc1ccc(-c2ccc([C@H]3[C@H](CO)N4C(=O)CNC[C@@H]34)cc2)cc1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccncc2)Oc2ccc(N(C)C)cc2CC1=O\n",
      "N#CN1CCC(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1\n",
      "O=C(c1cccc2cnccc12)N1CCCNCC1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)CC2CCCCC2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2CC1=O\n",
      "CC(=O)N[C@@H](CC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O\n",
      "O=C(O)c1nn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12\n",
      "COc1ccc(CN2CC3(CCN(C(=O)Cc4ccncc4)CC3)c3c([nH]c4cc(OC)ccc34)[C@@H]2CO)cc1\n",
      "O=S(=O)(c1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1ccccn1\n",
      "COc1ccc(C2=Nn3c(nnc3-c3ccccc3Cl)SC2)cc1OC1CCCC1\n",
      "COc1ccc(Oc2c(C(F)(F)F)oc3cc(OCC(=O)Nc4ccccc4F)ccc3c2=O)cc1\n",
      "COc1ccc(S(=O)(=O)N2c3ccc(Cl)cc3[C@](O)(c3ccccc3Cl)[C@@H]2C(=O)N2CCC[C@H]2C(N)=O)cc1OC\n",
      "COc1ccc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc1OC\n",
      "CC(=O)N1CCN(c2ccc(NCc3cccc(C)c3)cc2)CC1\n",
      "COCCCN1C(=O)[C@@]2(Cc3ccccc31)c1ccccc1C(=O)N(Cc1ccccc1C(F)(F)F)[C@H]2c1ccc(CO)cc1\n",
      "N#C/C(=C\\c1ccc(O)c(O)c1)C(N)=S\n",
      "Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)c3ccncc3)c2O[C@H]1CN(C)S(=O)(=O)c1ccc(Cl)cc1\n",
      "NS(=O)(=O)C#Cc1ccccc1\n",
      "Fc1ccc(-c2nc3n(c2-c2ccncc2)CCS3)cc1\n",
      "Cc1ccc(=O)n(-c2ccccc2)c1\n",
      "CC(C)(O)C#Cc1cccc(-c2nc(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)cc3c2[C@H](CCO)N(S(=O)C(C)(C)C)C3)c1\n",
      "COc1ccc(NC(=O)Nc2ccc3c(c2)[C@@H]2C[C@H](CC(=O)NCc4ccccn4)O[C@H](CO)[C@@H]2O3)cc1\n",
      "CC(=O)N1CC[N+](C)(C)CC1\n",
      "O=C(Nc1cccc2c(=O)cc(-c3nnn[nH]3)oc12)c1ccc(OCCCCc2ccccc2)cc1\n",
      "NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1\n",
      "OC(c1ccccc1)(c1ccccc1)C1CCNCC1\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)Cc1ccc(C(F)(F)F)cc1)O2\n",
      "O=C(NCC(F)(F)F)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(cccc3=O)[C@@H]2N1Cc1cccc(F)c1\n",
      "CN1c2ccc(Br)cc2[C@@H]2NCC[C@@H]2[C@@H]1CO\n",
      "Brc1c(Br)c(Br)c2[nH]nnc2c1Br\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc1ccccc1)OCCCC[C@@H](C)O2\n",
      "O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1\n",
      "N=C(N)NC(=O)c1nc(Cl)c(N)nc1N\n",
      "CN(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(CC4CC4)C[C@H]23)cc1\n",
      "Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCN(Cc3ccccc3)C(C)C)cc2)cc1\n",
      "CN1CCN(CC/C=C2\\c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1\n",
      "CCCNC(=O)N(C)C[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(=O)c1ccccc1\n",
      "COc1ccc2c(c1)cc(C)c1nnc(SCC(=O)Nc3cccc(C(C)=O)c3)n12\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(-c3ccccc3F)cnc2O[C@H]1CN(C)Cc1cccc(F)c1\n",
      "CN(C)S(=O)(=O)c1ccc2c(c1)/C(=C/c1cc3c([nH]1)CCCC3)C(=O)N2\n",
      "Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)cc1\n",
      "COc1ccc(NC(=O)N2CCCCN3[C@@H](CO)[C@H](c4ccc(-c5ccccc5F)cc4)[C@@H]3C2)cc1\n",
      "O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)Cc3cn(C)c4ccccc34)ccc2O[C@@H]1CN(C)Cc1ccc(C(F)(F)F)cc1\n",
      "CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O\n",
      "C[C@H]1CCCCO[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2O1\n",
      "CN(C)S(=O)(=O)c1ccc2[nH]c(COCc3nc4cc(S(=O)(=O)N(C)C)ccc4[nH]3)nc2c1\n",
      "O=c1oc2cc(O)ccc2c2oc3cc(O)ccc3c12\n",
      "CCC1=C[C@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2\n",
      "Cc1ccc(OCCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1\n",
      "Nc1cc(C(Cl)=C(Cl)Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O\n",
      "COc1ccc(Oc2c(-c3cccs3)cnn(-c3ccc(C)cc3)c2=O)cc1\n",
      "COc1ccc2[nH]cc(CCNC(C)=O)c2c1\n",
      "COc1ccc(OC)c(-c2nnc3n2N=C(c2ccc(OC)c(OCC4CC4)c2)CS3)c1\n",
      "COc1ccc(CN(CCN(C)C)c2ccccn2)cc1\n",
      "O=C1Nc2cc(Cl)ccc2Nc2cscc21\n",
      "O=C(Cn1cc(C(=O)c2ccco2)c2ccccc21)Nc1ccccc1C(F)(F)F\n",
      "COC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)Nc4cc(C)cc(C)c4)cc3C(=O)N2C)O1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2cccc(F)c2)Oc2ncc(C#CCN(C)C)cc2C1=O\n",
      "CC1(C)c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(Cc3ccccc3F)C(=O)N21\n",
      "N/C(=N\\C(=O)c1nc(Cl)c(N)nc1N)NCc1ccccc1\n",
      "O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccc(Oc3ccccc3)cc2)O1)N1CCOCC1\n",
      "Nc1ccc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4o3)c2)cc1\n",
      "O=C(NCCO[N+](=O)[O-])c1cccnc1\n",
      "CN(C)C(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@H](CO)O1\n",
      "CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1\n",
      "Cc1ccc(-c2ccc3c(c2)O[C@@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](C)CN([C@H](C)CO)S3(=O)=O)cc1\n",
      "Cn1c(=O)c2[nH]cnc2n(C)c1=O\n",
      "CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@@]21C\n",
      "CCCc1cc(C(N)=S)ccn1\n",
      "Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)CC2CCCCC2)OCCCC[C@@H](C)O3)cc1\n",
      "O=C1CNC[C@H]2[C@@H](c3ccc(Br)cc3)[C@@H](CO)N12\n",
      "N#C[C@H]1[C@H](c2ccc(C3=CCCCC3)cc2)[C@@H](CO)N1C(=O)Cc1ccncc1\n",
      "COc1ccccc1Nc1nc(NCCCCO)nc(N2CCCC2)n1\n",
      "Fc1ccc(CC2CCN(c3ncnc4sccc34)CC2)cc1\n",
      "Cc1cc(O)cc2oc3cc(O)cc(O)c3c(=O)c12\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Cc3cn(C)c4ccccc34)ccc2O[C@H]1CN(C)Cc1ccncc1\n",
      "C[C@H]1CCCCO[C@H](CN(C)CC2CCCCC2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)c3ccccc3)ccc2O1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2O[C@H](C)CCCCO[C@@H]1CN(C)Cc1ccc(C(F)(F)F)cc1\n",
      "Cc1ccc(N2CCN(S(=O)(=O)N3CCCCC3)CC2)c(C)c1\n",
      "COC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2CCC(F)(F)F)O1\n",
      "OC[C@@H]1[C@H]2c3ccccc3NC[C@H]2N1Cc1ccccc1Cl\n",
      "COc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)Nc2ccccc2)O3)cc1\n",
      "O=C(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccc(F)cc1F\n",
      "COc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCC(O)CC2)n1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)C3CC3)cc2CC1=O\n",
      "Cc1ccc(O)c(N=Nc2ccccc2)n1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)c3ccncc3)ccc2O[C@@H]1CN(C)CC1CCCCC1\n",
      "O=C(O)CCN1C(=O)/C(=C/c2cccc(OCc3ccc(F)cc3)c2)SC1=S\n",
      "O=c1[nH]c2cc(Cl)ccc2o1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3cccc4ccccc34)cc2C1=O\n",
      "CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1\n",
      "O=C(OCC#CCSc1nnc(-c2cccc(F)c2)o1)c1ccc(F)cc1\n",
      "CCN1C(=O)C=CC1=O\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)C2CCCCC2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O\n",
      "Nc1ncnc2c1c(-c1ccc(OCc3ccccc3)cc1)cn2[C@H]1C[C@H](CN2CCC2)C1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)Cc1ccc(O)cc1\n",
      "CCCc1c(OCCCOc2ccc(OCC(=O)O)cc2)ccc(C(C)=O)c1O\n",
      "C[C@@H](Nc1nc(Cl)nc2ccccc12)c1ccccc1\n",
      "C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1C[C@H](Br)C2=O\n",
      "O=C(CCCCCCC(=O)Nc1ccc([C@@H]2O[C@H](c3ccc(CO)cc3)C[C@H](CSc3nc(-c4ccccc4)c(-c4ccccc4)o3)O2)cc1)NO\n",
      "C[C@H]1CCCCO[C@@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2O1\n",
      "CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)CCCN(C)C)OCCCC[C@@H](C)O2\n",
      "O=C(N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F)c1ccccn1\n",
      "CO[C@H]1CC[C@H]2CCN(C)C(=O)[C@H](C)[C@@H](OC)CN(C)C(=O)c3cccc(C#N)c3OC[C@H]1O2\n",
      "COc1cc(NS(C)(=O)=O)ccc1Cc1c2ccccc2nc2ccccc12\n",
      "C=CCc1ccc(O)c(-c2ccc(O)c(CC=C)c2)c1\n",
      "C=C1CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@@H]1COc1ccc2ccc(=O)oc2c1\n",
      "C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO\n",
      "Clc1cccc(Cl)c1N=C1NCCN1\n",
      "O=C(Cn1nc(-c2ccccc2)c2ccccc21)Oc1ccccc1\n",
      "C=C1C(=O)O[C@H]2[C@H]1CC/C(C)=C/CC[C@@]1(C)O[C@@H]21\n",
      "C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)Cc1ccccn1\n",
      "C#CCNC(=O)CSCc1nc(-c2ccc(OCC)cc2)oc1C\n",
      "CCCN(C)C[C@H]1Oc2cc(C3=CCCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O[C@H](C)CCCCO[C@H]1CN(C)Cc1ccncc1\n",
      "CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3Cl)cc2OC[C@H](C)NC[C@H]1C\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(N(C)C)ccc2O[C@H](C)CCCCO[C@@H]1CN(C)Cc1ccc2c(c1)OCO2\n",
      "O=C(CCCCC(=O)N/N=C/[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)NO\n",
      "CO[C@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@H](C)N(Cc2ccc(-c3ccccn3)cc2)C[C@@H]1C\n",
      "O=S(=O)(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccc(-c2ccccn2)s1\n",
      "COC(=O)c1sccc1S(=O)(=O)Nc1ccc(Nc2ccccc2)cc1OC\n",
      "COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1cccc(F)c1)CC31CCN(C(C)=O)CC1\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O[C@H](C)CCCCO[C@H]1CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1\n",
      "COc1ccc(CN(C)C[C@H]2OCCCC[C@H](C)Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)Nc3ccccc3)c2O[C@@H]1CN(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1\n",
      "CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(/C=C/c4cnc5[nH]ccc5c4OC)c3)cc2C(F)(F)F)CC1\n",
      "O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1\n",
      "CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(F)ccc1-2\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(C3=CCCCC3)cnc2O[C@@H]1CN(C)CC1CCCC1\n",
      "O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cccc(F)c2)O1)NCCc1ccncc1\n",
      "CCn1nc(/C=C/c2ccccc2)nc2c(=O)n(C)c(=O)nc1-2\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)Nc3ccc(F)cc3)ccc2O[C@@H]1CN(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O[C@H]1CN(C)Cc1ccc(-c2ccccc2)cc1\n",
      "CO[C@@H]1CN(C)C(=O)c2cc(C#N)ccc2OC[C@H]2O[C@H](CC[C@H]2OC)CCN(C)C(=O)[C@H]1C\n",
      "COc1cccc(-c2csc(N3CCN(C(S)=Nc4cccc(Cl)c4)CC3)n2)c1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccccc2F)Oc2c(NC(=O)Nc3cccc4ccccc34)cccc2C1=O\n",
      "Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@@H](C)O2\n",
      "O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2S(=O)(=O)c2cccc(F)c2)O1)NCc1ccncn1\n",
      "O=C(O)[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O\n",
      "CC(=O)Nc1cccc(NC(=O)c2ccccc2Cl)c1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2C1=O\n",
      "COc1nc(NC(C)C)nc(NC(C)C)n1\n",
      "OC[C@@H]1CC[C@H](n2cnc3c(O)ncnc32)O1\n",
      "NC(=O)OCC(COC(N)=O)c1ccccc1\n",
      "CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1\n",
      "N#C/C(=C\\c1cccn1S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccc(F)cc1\n",
      "c1nc(NCC2CCCC2)c2cc(-c3ccc4c(c3)OCO4)ccc2n1\n",
      "COc1ccc(Nc2nccc(NCCO)n2)cc1\n",
      "C=CC(=O)N1CCc2ccc(-n3c(=O)ccc4cnc5ccc(-c6cnn(C)c6)cc5c43)cc21\n",
      "C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](O)c1ccnc2ccc(OC)cc12\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Nc2cc(F)ccc2F)Oc2cc(C#CC3CCCC3)ccc2S1(=O)=O\n",
      "CCc1cccc2c3c([nH]c12)[C@@](CC)(CC(=O)O)OCC3\n",
      "CS(=O)(=O)c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1\n",
      "c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1\n",
      "CNC[C@@H]1Oc2ccc(NS(=O)(=O)c3cn(C)cn3)cc2CC(=O)N([C@H](C)CO)C[C@@H]1C\n",
      "N#Cc1c(SCC(=O)c2ccc(F)cc2)nsc1SCC(=O)c1ccc(F)cc1\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(C3=CCCCC3)cnc2O[C@@H]1CN(C)Cc1cccc(F)c1\n",
      "CNC[C@H]1Oc2cc(C#CCN(C)C)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C\n",
      "C=C1C[C@@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "CC[C@@H]1/C=C(/C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc3c(c2)OCO3)OCCCC[C@@H](C)Oc2ccc(N(C)C)cc2C1=O\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)c3ccncc3)c2O[C@H]1CN(C)Cc1ccccc1\n",
      "O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)c2ccccc2F)O1)NCc1ccc(-c2ccccc2)cc1\n",
      "CC(=O)N(C[C@@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1CC1CC1)C(C)C\n",
      "COC1=C[C@@H]2C3=C([C@@H](NC(C)=O)CCc4cc(OC)c(OC)c(OC)c43)[C@@H]2C1=O\n",
      "C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)CCN1S(=O)(=O)c1c(F)cccc1F\n",
      "C[C@H]1CCCCO[C@@H](CN(C)C(=O)C2CCCCC2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2O1\n",
      "Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc2ccccc2)OCCCC[C@H](C)O3)cc1\n",
      "C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O\n",
      "Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCCNC1=O\n",
      "C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O[C@@H]1CN(C)Cc1ccc(Cl)c(Cl)c1\n",
      "COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(CC1CC1)CC31CN(C(=O)c2ccccc2)C1\n",
      "COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc2c(s1)CCCC2\n",
      "CC1(C)c2[nH]c3ccccc3c2C[C@H]2C(=O)N(Cc3ccccc3F)C(=O)N21\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccccc2F)Oc2cc(C#CCN(C)C)ccc2S1(=O)=O\n",
      "CC(C)(C)c1[nH]cnc1/C=c1\\[nH]c(=O)/c(=C/c2ccccc2)[nH]c1=O\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O\n",
      "CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2nncs2)c1\n",
      "CC1(C)C=Cc2ccc(O)c(C(=O)/C=C/c3ccccc3)c2O1\n",
      "Cc1nc(C(=O)NNC(=O)c2ccc(Cl)cc2)cs1\n",
      "CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O\n",
      "C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(N(C)C)ccc2O[C@H](C)CCCCO[C@H]1CN(C)Cc1ccc2c(c1)OCO2\n",
      "Clc1ccc(Cn2ncc3c(N4CCN(c5ccccc5)CC4)ncnc32)cc1\n",
      "C[C@@H]1NCCc2cc(O)c(O)cc21\n",
      "O=C(NCc1cccc2ccccc12)c1cccs1\n",
      "CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C\n",
      "CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21\n",
      "COc1cc2c3cc1Oc1cc(ccc1O)C[C@@H]1c4c(cc(OC)c(O)c4Oc4ccc(cc4)C[C@@H]3N(C)CC2)CC[N+]1(C)C\n",
      "CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1\n",
      "O=S(=O)(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccc(Cl)c2nonc12\n",
      "C[C@@H]1CN([C@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@@H]1CN(C)C(=O)CCC(F)(F)F\n",
      "OC[C@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@H]2CN(CCC(F)(F)F)CCCCN21\n",
      "CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1\n",
      "COc1ccccc1CNC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@@H]2[C@H](CO)O1\n",
      "CCCc1cc(-c2nc(-c3ccc(C)cc3)cs2)ccn1\n",
      "Cn1c(=O)c([N+](=O)[O-])c(Nc2ccc(Cl)cc2)c2ccccc21\n",
      "COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]21\n",
      "COc1cccc(NC(=O)N(C)C[C@H]2OCc3ccccc3-c3c(n(C)c4ccccc34)C(=O)N([C@H](C)CO)C[C@@H]2C)c1\n",
      "CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1\n",
      "Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1\n",
      "COC(=O)c1ccc(CSc2nc(O)c3c(n2)CCC3)cc1\n",
      "COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccccn1)CC31CCN(C(C)=O)CC1\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc3c(c2)OCO3)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O\n",
      "O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2ccc(F)cc2)O1)Nc1ccc(-c2ccccc2)cc1\n",
      "Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl\n",
      "COc1ccc2c(c1OC)N=C(NC(=O)c1cccnc1)N1CCN=C21\n",
      "C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)Cc1ccccc1F\n",
      "CCCN(C)C[C@H]1Oc2ncc(-c3cccnc3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C\n",
      "CN1c2ccc(C3=CCCCC3)cc2[C@H]2[C@H](CCN2C(=O)NC2CCCC2)[C@@H]1CO\n",
      "COCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)c2cc(Cl)cc(Cl)c2)O1\n",
      "CO[C@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C\n",
      "CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1P(=O)(c1ccccc1)c1ccccc1\n",
      "CCCCCCc1ccc(O)cc1O\n",
      "COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl\n",
      "Cc1c(Nc2ncccc2C(=O)O)cccc1C(F)(F)F\n",
      "C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Cc2ccccc2)Oc2cc(C3=CCCCC3)ccc2S1(=O)=O\n",
      "COc1ccc(C[C@H](C)NC[C@@H](O)c2ccc(O)c(NC=O)c2)cc1\n",
      "CC(C)NCC(O)c1cc(O)cc(O)c1.CC(C)NCC(O)c1cc(O)cc(O)c1\n",
      "C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(Cc2cccc(F)c2)[C@@H](C(=O)NCCC)[C@@H]1CO.C/C=C\\c1ccc2n(c1=O)C[C@H]1[C@@H]2N(Cc2cccc(F)c2)[C@@H](C(=O)NCCC)[C@@H]1CO\n",
      "CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1\n",
      "Cc1cc(C=Cc2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1.Cc1cc(C=Cc2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1\n",
      "N=C(N)N1CCc2ccccc2C1.N=C(N)N1CCc2ccccc2C1\n",
      "CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](CN)CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O.CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H]([C@@H](C)N)CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O.CN[C@H](C)[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1\n",
      "Retry on CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](NC(=N)N)[C@H](O)[C@H]3NC(=N)N)O[C@@H](C)[C@]2(O)CO)O[C@@H](CO)[C@H](O)[C@H]1O.CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](NC(=N)N)[C@H](O)[C@H]3NC(=N)N)O[C@@H](C)[C@]2(O)CO)O[C@@H](CO)[C@H](O)[C@H]1O\n",
      "CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](NC(=N)N)[C@H](O)[C@H]3NC(=N)N)O[C@@H](C)[C@]2(O)CO)O[C@@H](CO)[C@H](O)[C@H]1O.CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](NC(=N)N)[C@H](O)[C@H]3NC(=N)N)O[C@@H](C)[C@]2(O)CO)O[C@@H](CO)[C@H](O)[C@H]1O\n",
      "Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)/N=C/c1cnc2ccc(Br)cn12\n",
      "N=C(N)NCCN1CCCCCCC1.N=C(N)NCCN1CCCCCCC1\n",
      "CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)CC2c3cccc4[nH]cc(c34)C[C@@H]21.CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@@H]21\n",
      "CC(C)(C)NCC(O)COc1ccccc1C1CCCC1.CC(C)(C)NCC(O)COc1ccccc1C1CCCC1\n",
      "CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2\n",
      "C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(C(=O)c2cnccn2)[C@@H](C(=O)N[C@H](C)c2ccccc2)[C@@H]1CO.C/C=C\\c1ccc2n(c1=O)C[C@H]1[C@@H]2N(C(=O)c2cnccn2)[C@@H](C(=O)N[C@H](C)c2ccccc2)[C@@H]1CO\n",
      "N=C(N)NCC1COC2(CCCCC2)O1.N=C(N)NCC1COC2(CCCCC2)O1\n",
      "CN1[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2.CN1[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2\n",
      "CC1(C)S[C@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2C1C(=O)O.CC1(C)S[C@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2C1C(=O)O\n",
      "O=C(NCCNCC(O)COc1ccc(O)cc1)N1CCOCC1.O=C(NCCNCC(O)COc1ccc(O)cc1)N1CCOCC1\n",
      "O=S(=O)(O)CCS\n",
      "CN1CCCN=C1C=Cc1cccc(O)c1.CN1CCCN=C1C=Cc1cccc(O)c1.O=C(O)c1c(O)cc2ccccc2c1Cc1c(C(=O)O)c(O)cc2ccccc12\n",
      "CC(=O)NCCCS(=O)(=O)O\n",
      "COCCc1ccc(OCC(O)CNC(C)C)cc1.COCCc1ccc(OCC(O)CNC(C)C)cc1\n",
      "CN1CCc2c(c3ccccc3n2Cc2ccccc2)C1.CN1CCc2c(c3ccccc3n2Cc2ccccc2)C1\n",
      "C=Cc1c(C)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CCC(=O)O)c(CCC(=O)OC)c4C)[C@@]1(C)C3=CC=C(C(=O)OC)[C@H]1C(=O)OC\n",
      "C=C(C)[C@H]1[C@@H]2C(=O)O[C@H]1[C@H]1OC(=O)[C@@]34O[C@@H]3C[C@]2(O)[C@@]14C.CC(C)(O)[C@H]1[C@@H]2C(=O)O[C@H]1[C@H]1OC(=O)[C@@]34O[C@@H]3C[C@]2(O)[C@@]14C\n",
      "N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3c[nH]nn3)CS[C@H]12)c1ccc(O)cc1\n",
      "Cn1c(=O)c2[nH]cnc2n(C)c1=O.Cn1c(=O)c2[nH]cnc2n(C)c1=O\n",
      "CCCCCCCN(CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1.CCCCCCCN(CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1\n",
      "CC(CN(C)C)CN1c2ccccc2Sc2ccccc21.CC(CN(C)C)CN1c2ccccc2Sc2ccccc21\n",
      "CNC(C)CCC=C(C)C.CNC(C)CCC=C(C)C.O=C(O)C(O)C(O)C(O)C(O)C(=O)O\n",
      "CC(C(=O)O)c1cccc(Oc2ccccc2)c1.CC(C(=O)O)c1cccc(Oc2ccccc2)c1\n",
      "CNC(C)(C)Cc1ccccc1.CNC(C)(C)Cc1ccccc1\n",
      "C1COC(NC(C2CC2)C2CC2)=N1\n",
      "CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(F)cc32)c1C\n",
      "COC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C\n",
      "CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C.CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C\n",
      "CN1CCc2cccc3c2[C@@H]1Cc1ccc(O)c(O)c1-3.CN1CCc2cccc3c2[C@@H]1Cc1ccc(O)c(O)c1-3\n",
      "CC(C)(C)NCC(O)c1cc(O)cc(O)c1.CC(C)(C)NCC(O)c1cc(O)cc(O)c1\n",
      "Cc1cc(CCc2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1\n",
      "CCCCC[C@H](O)C=C[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC=CCCCC(=O)O.COC(N)(CO)CO\n",
      "N[C@]12C[C@H]3C[C@@H](C[C@H](C3)C1)C2.N[C@]12C[C@H]3C[C@@H](C[C@H](C3)C1)C2\n",
      "C[N+]1(C)C2CC[C@H]1C[C@@H](OC(=O)C(CO)c1ccccc1)C2.O=[N+]([O-])[O-]\n",
      "CN(C)CCOC(c1ccccc1)c1ccccc1.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O\n",
      "CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC(O)CC(O)CC(=O)O\n",
      "C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](O)c1ccnc2ccc(OC)cc12\n",
      "N=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1\n",
      "COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12\n",
      "Nc1nccc2c1ncn2[C@@H]1O[C@H](CO)C(O)C1O\n",
      "Cc1[nH]nc2ccc(-c3cncc(OC[C@@H](N)Cc4c[nH]c5ccccc45)c3)cc12\n",
      "Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1csc(C(C)(C)C)n1\n",
      "N#Cc1c(O)c2c(-c3ccc(-c4ccccc4O)cc3)csc2[nH]c1=O\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Nc1nc(NC2CC2)c2ncn(C3C=C[C@@H](CO)C3)c2n1\n",
      "CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC=C(c5cccnc5)[C@@]4(C)CC[C@H]32)C1\n",
      "NC1CCN(c2cccnc2)C1\n",
      "C[C@@H]1CCCN1CCc1cc2cc(-c3ccc(C#N)cc3)ccc2o1\n",
      "c1ccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)nc1\n",
      "C[C@@H]1O[C@H](O[C@@H]2[C@H](CO)O[C@H](O[C@@H]3[C@H](CO)O[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@@H]1O\n",
      "CCN(CC)CCNC(=O)c1ccc(NC(C)=O)cc1\n",
      "CC(=O)N[C@H](CS)C(=O)O\n",
      "CC(=O)NCCCCCC(=O)O\n",
      "CC1(c2ccccc2)OC(C(=O)O)=CC1=O\n",
      "O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1\n",
      "Cc1ccc(/C(=C\\CN2CCCC2)c2cccc(/C=C/C(=O)O)n2)cc1\n",
      "O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO\n",
      "O=C(O)/C=C/c1ccc(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)cc1\n",
      "O=C(NCCN1CCN(c2ncccn2)CC1)C12CC3CC(CC(C3)C1)C2\n",
      "Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O\n",
      "Fc1ccc(-c2cncc(CN3CCN(c4cccc5c4OCCO5)CC3)c2)cc1\n",
      "CCN1CCN(Cc2ccc(-c3cc4c(N[C@H](C)c5ccccc5)ncnc4[nH]3)cc2)CC1\n",
      "Cc1ccccc1-n1c(CF)nc2ccc(N)cc2c1=O\n",
      "Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1ccnc1C)c1cccc(F)c1\n",
      "O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccsc1\n",
      "COc1ccc2cccc(CCNC(C)=O)c2c1\n",
      "CCCCCCCCCCCCCCCCCCCCCC(=O)O\n",
      "Cc1sc[n+](CC(=O)c2ccccc2)c1C\n",
      "CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O\n",
      "C=CCNc1nc(NCC=C)nc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n1\n",
      "CNC(=O)[C@@H](c1ccccc1)N1CCc2cc(OC)c(OC)cc2[C@@H]1CCc1ccc(C(F)(F)F)cc1\n",
      "Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1\n",
      "CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](O)CC(=O)[C@H]1CCCCCCC(=O)O\n",
      "C=CC[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21C\n",
      "CO[C@H]1/C=C\\C=C(\\C)C(=O)NC2=CC(=O)C(NCCN(C)C)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@@H]1OC(N)=O)C2=O\n",
      "C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)NCC(=O)O)CC[C@@]1(C)c1cccc(O)c1\n",
      "Oc1c(I)cc(I)cc1I\n",
      "COC(c1ccccc1)(c1ccccc1)[C@H](Oc1nc(C)cc(C)n1)C(=O)O\n",
      "NCCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21\n",
      "COc1ccc2c(OCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1\n",
      "CC(C)[C@@H](CS(=O)(=O)C(C)C)N1C(=O)[C@@](C)(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1\n",
      "CCOc1ccc(-n2c([C@@H](C)N(Cc3cccnc3)C(=O)Cc3ccc(OC(F)(F)F)cc3)nc3ncccc3c2=O)cc1\n",
      "CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)cccc2s1\n",
      "CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(-c3ccc(C(F)(F)F)cc3)c2)cc1\n",
      "NCC[C@@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)C1O\n",
      "O=C(O)CCCCCCNC1c2ccccc2CCc2ccccc21\n",
      "N=C(N)NN\n",
      "CN(C)CCCO[C@H]1[C@@H]([C@H](O)CO)O[C@@H]2OC(C)(C)O[C@H]12\n",
      "Clc1ccc(C23CNCC2C3)cc1Cl\n",
      "CC1(C)[C@@H](O[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)CC[C@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C\n",
      "O=C(c1ccc2nccnc2c1)N1CCCCC1\n",
      "Nc1cc(-c2ccncc2)c[nH]c1=O\n",
      "COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12\n",
      "COc1ccccc1OC(=O)CNC(=O)Cc1ccc(C(=O)c2ccc(C)cc2)n1C\n",
      "COc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1C\n",
      "CN(C)N(C)C(=O)[C@@]1(Cc2ccccc2)CCCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)C1\n",
      "C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@H]1C/C=C1/C(=O)OCC1O\n",
      "CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@@]21C\n",
      "CCCCCOc1ccc(-c2ccc(-c3ccc(C(=O)NC4CC(O)C(O)NC(=O)C5C(O)C(C)CN5C(=O)C(C(C)O)NC(=O)C(C(O)C(O)c5ccc(O)cc5)NC(=O)C5CC(O)CN5C(=O)C(C(C)O)NC4=O)cc3)cc2)cc1\n",
      "CN1C2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H](O)C2\n",
      "COc1cc(N2CCC(N(C)C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1\n",
      "COc1cc(OC)c2c(=O)nc(-c3cc(C)c(OCCO)c(C)c3)[nH]c2c1\n",
      "CC(C)OC(=O)N1CCC(Oc2ncnc3c2cnn3-c2ccc(S(C)(=O)=O)cc2F)CC1\n",
      "C[C@]12CC[C@@H](O)[C@@](C)(CO)[C@@H]1CC[C@H]1C[C@@H]3C[C@@]12CC[C@]3(O)CO\n",
      "Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1\n",
      "COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)cc1\n",
      "COc1cc(C(C)=O)ccc1O\n",
      "CCOc1cc([C@@H](CS(C)(=O)=O)N2C(=O)c3cccc(NC(C)=O)c3C2=O)ccc1OC\n",
      "C[C@H](O[C@H]1OCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1\n",
      "CC1CNc2c(cccc2S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CC[C@@H](C)C[C@H]2C(=O)O)C1\n",
      "C=C1C(=O)O[C@H]2[C@H]1CC[C@]1(C)O[C@@]13CC=C(C)[C@H]23\n",
      "NC(=O)C[S@@](=O)C(c1ccccc1)c1ccccc1\n",
      "CNC(=O)c1ccc(N2C(=S)N(c3cnc(C#N)c(C(F)(F)F)c3)C(=O)C23CCC3)cc1F\n",
      "CCCn1c(=O)c2nc[nH]c2n(-c2ccc(Cl)cc2)c1=O\n",
      "C[C@@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1\n",
      "C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4\n",
      "Cc1ccc2c(=O)c3cccc(CC(=O)O)c3oc2c1C\n",
      "COc1ccc(/C=C/C(=O)CC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1OC\n",
      "CN1C[C@@H]2c3ccccc3Oc3ccc(Cl)cc3[C@H]2C1\n",
      "C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1\n",
      "CN(C)C(=N)NCCC[C@H](N)C(=O)O\n",
      "CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O\n",
      "CCC1(c2cnc[nH]2)Cc2ccccc2C1\n",
      "CC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(N)=O\n",
      "O=C1C(=O)C([C@H]2CC[C@H](c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21\n",
      "COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@+]2(C)CCC(=O)OCCCCCOC(=O)CC[N@@+]2(C)CCc3cc(OC)c(OC)cc3[C@H]2Cc2ccc(OC)c(OC)c2)cc1OC\n",
      "CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)cc1\n",
      "C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1C#CC(C)(C)N1CCN(C)CC1\n",
      "O=C(N[C@H]1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2ccc(Cl)cc2)C1)c1ccnc2ccccc12\n",
      "NC(=O)[C@@H](CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1\n",
      "COc1ccc(CNc2nc(N3CCC[C@H]3CO)ncc2C(=O)NCc2ncccn2)cc1Cl\n",
      "CC(C)c1cc(C(C)C)c(CC(=O)NS(=O)(=O)Oc2c(C(C)C)cccc2C(C)C)c(C(C)C)c1\n",
      "C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCOC)cc3)ncc2F)c1\n",
      "CC[C@H](CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)Nc2ccc(-c3cnco3)c(OC)c2)c1\n",
      "C[C@@H]1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-c2cccc3[nH]ccc23)n1\n",
      "Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1\n",
      "N[C@@H]1CCCN(c2c(/C=C3\\SC(=O)NC3=O)cccc2-c2ccccc2)C1\n",
      "Cc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)ncc2Cl)n[nH]1\n",
      "CC(=O)Nc1cccc2c1c(Sc1ccc(Cl)cc1)c(C)n2CC(=O)O\n",
      "CNC(=O)c1cccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)c1\n",
      "CC(=O)N1CCN(CCOc2ccc(C3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)cc2)CC1\n",
      "COc1cc(CCc2cc(NC(=O)c3ccc(N4C[C@H](C)N[C@H](C)C4)cc3)n[nH]2)cc(OC)c1\n",
      "NC1(C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1\n",
      "CN(C)C(=O)c1ccc(S(=O)(=O)c2ccc(NC(=O)C(C)(O)C(F)(F)F)c(Cl)c2)cc1\n",
      "Cc1nc(C)c(-c2ccc([C@H]3CC[C@H](CC(=O)O)CC3)cc2)nc1C(N)=O\n",
      "NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)N[C@@H]1CCCNC1\n",
      "NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)N[C@H]1CCCNC1\n",
      "CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1\n",
      "Cc1c(-c2ccnn2C)cc(C(=O)NCc2ccc(S(C)(=O)=O)cn2)c(=O)n1-c1cccc(C(F)(F)F)c1\n",
      "O=C(O)CCCCCCCC(=O)O\n",
      "CC[C@H]1OC(=O)[C@@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O\n",
      "O=C(O)[C@@H]1O[C@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O\n",
      "Cn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccccc2c1=O\n",
      "CC(C)C(=O)OC[C@@]1(N=[N+]=[N-])O[C@@H](n2ccc(N)nc2=O)[C@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C\n",
      "CCCN1CCN(c2ccc(C(=O)NC3(C(=O)NCC#N)CCCCC3)cc2)CC1\n",
      "CCN(CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1)CCOP(=O)(O)O\n",
      "COC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@@H]1C(=O)C=C3[C@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2\n",
      "CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3ncnc4[nH]ccc34)cn2)C1\n",
      "Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(F)cc1\n",
      "CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO\n",
      "O=C(c1ccc(CN2CCOCC2)cc1)N1CCN(C2CC2)CC1\n",
      "Cc1cc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)nn1Cc1ccnc(N2CCN(C3CC3)CC2)c1\n",
      "Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12\n",
      "Cc1oc2nc3c(c(NC(=O)CN4CCCC4=O)c2c1C)CCCC3\n",
      "CCC(=O)OCC(=O)C1(OC(=O)CC)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(Cl)C(O)CC21C\n",
      "Cn1c(CCCC(=O)O)nc2cc(N(CCCl)CCCl)ccc21\n",
      "O=C(NC(Cc1c[nH]c2ccccc12)C(=O)O)c1ccc(Cl)cc1\n",
      "O=C(O)CCCN1CCC(O[C@@H](c2ccc(Cl)cc2)c2ccccn2)CC1\n",
      "COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2\n",
      "COc1ccc(NC(=O)c2ccc(C(=N)N(C)C)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1\n",
      "C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12\n",
      "C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12\n",
      "C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C\n",
      "COc1ccc(-c2ccc3ncc4c(c3c2)n(-c2ccc(N3CCNCC3)c(C(F)(F)F)c2)c(=O)n4C)cn1\n",
      "CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1\n",
      "CCNC(=O)CCC/C=C\\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/C(O)CCc1ccccc1\n",
      "CC(C)(OCc1nn(Cc2ccccc2)c2ccccc12)C(=O)O\n",
      "Cn1cnc2c(F)c(Nc3ccc(Br)cc3F)c(C(=O)NOCCO)cc21\n",
      "CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1C[C@@H](O)C[C@H]1Cc1c(-c2[nH]c3cc(F)ccc3c2C[C@@H]2C[C@H](O)CN2C(=O)[C@H](CC)NC(=O)[C@H](C)NC)[nH]c2cc(F)ccc12\n",
      "C[C@H](Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2ncc(C(F)(F)F)cc2F)CC1)C(F)(F)F\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "CCN1CCN(c2cc(-c3ccc(F)cc3)c3c(n2)CCCCCC3)CC1\n",
      "COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(CNC(C)C(C)(C)C)cc3)s2)cc1C(=O)N1CCN(C(C)=O)CC1\n",
      "Cc1c(NC(=O)OC[C@@H]2COCCN2)cn2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c12\n",
      "Cn1c(N2CCCCS2(=O)=O)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O\n",
      "N[C@@H]1c2cccnc2[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@H]1c1cccc(F)c1F\n",
      "Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1\n",
      "Cc1c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc2c1C(=O)O\n",
      "CC(C)(C)OC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1c(Br)cccc1-2\n",
      "O=c1ccc2ccc(OCCCCN3CCN(c4cccc5sccc45)CC3)cc2[nH]1\n",
      "O=c1[nH]c(=O)n([C@H]2CC(O)[C@@H](CO)O2)cc1/C=C/Br\n",
      "Nc1nc(-c2ccccc2)c(Br)c(=O)[nH]1\n",
      "O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1Br\n",
      "COC(=O)[C@]12OC[C@@]34[C@H]1[C@@H](OC(=O)/C=C(\\C)C(C)C)C(=O)O[C@@H]3C[C@H]1C(C)C(=O)C(=O)C[C@]1(C)[C@H]4[C@@H](O)[C@@H]2O\n",
      "CC(C)c1cnn2c(NCc3ccccc3)cc(NCCCCCCN)nc12\n",
      "CC(C)CC(N)C1(c2ccc(Cl)cc2)CCC1\n",
      "CC(C)(C)N1CCC(c2ccccc2)(c2ccccc2)CC1\n",
      "CC(C)(C)[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc(c43)[C@H]2C1\n",
      "Oc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3\n",
      "CC(C)Nc1cc(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)c(Cl)cn1\n",
      "CO[C@H]1C(=O)[C@]2(C)[C@H](OC)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@@H](OC(=O)c2ccccc2)[C@@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C1C2(C)C\n",
      "COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC\n",
      "C=C1/C(=C\\C=C2/CCC[C@]3(C)[C@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O\n",
      "C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4cccc(F)c4)CC3)cc2)CCN1\n",
      "CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1\n",
      "Cc1ccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc(-c2ccc(F)cc2)s1\n",
      "CCCCCOC(=O)Nc1nc(=O)n(C2O[C@H](C)[C@@H](O)[C@H]2O)cc1F\n",
      "CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1\n",
      "NC(=O)N[C@@H](CCC(=O)O)C(=O)O\n",
      "CC(C)c1ccc(C(=O)N=C(N)N)cc1S(C)(=O)=O\n",
      "CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1\n",
      "O[C@H]1CN2CC[C@H](O)[C@@H]2[C@@H](O)[C@@H]1O\n",
      "CN(C)/N=N/c1ccc(C(=O)O)cc1\n",
      "c1cc(OCCN2CCCCC2)cc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1\n",
      "O[C@H]1CC[C@H](Nc2ncc3nc(Nc4c(F)cc(F)cc4F)n([C@H]4CCOC4)c3n2)CC1\n",
      "C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\\O)c3csc(N)n3)[C@H]2SC1\n",
      "CO/N=C(/C(=O)NC1C(=O)N2C(C(=O)O)=C(C[N+]3(C)CCCC3)CSC12)c1csc(N)n1\n",
      "CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CS[C@H]23)c2ccc(O)cc2)C(=O)C1=O\n",
      "CO[C@@]1(NC(=O)C2SC(=C(C(N)=O)C(=O)O)S2)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC21\n",
      "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(C[n+]3ccn4ncccc43)CS[C@H]12)c1nsc(N)n1\n",
      "COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C(F)(F)F)on4)c3)c2cc1OC\n",
      "CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2OC)CCC[C@H](N2CCN(CCO)CC2)C3)ncc1Cl\n",
      "COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc4c(c3Oc3cc5c(cc3OC)CCN(C)[C@@H]5C2)OCO4)CCN1C\n",
      "C[C@@H]1O[C@@]2(CS1)CN1CCC2CC1.C[C@H]1O[C@]2(CS1)CN1CCC2CC1\n",
      "OC1CCC(Nc2ncc3nc(Nc4c(F)cc(F)cc4F)n([C@@H]4CCOC4)c3n2)CC1\n",
      "CC(C)(C)NCC(O)COc1cccc2[nH]c(O)nc12\n",
      "COc1ccc2c(c[n+](C)c3c4cc5c(cc4ccc23)OCO5)c1OC\n",
      "C[C@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C\n",
      "O=C(N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl\n",
      "CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1\n",
      "C[N+](C)(C)CCOP(=O)(O)OC[C@H](O)CO\n",
      "O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12\n",
      "Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2\n",
      "CC(C)C(=O)OCC(=O)[C@@]12O[C@H](C3CCCCC3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C\n",
      "CC(C)[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc2ccccc2)C(=O)N1C\n",
      "COc1ccc(C2(C#N)CCC(C(=O)O)CC2)cc1OC1CCCC1\n",
      "O=C(O)CCCCN(CCc1ccccc1OCc1ccc(CCc2ccccc2)cc1)Cc1ccc(C(=O)O)cc1\n",
      "COc1cc(/C=C/C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC\n",
      "CCn1nc(C(=O)O)c(=O)c2cc3c(cc21)OCO3\n",
      "COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCOc2ccc(F)cc2)CC1OC\n",
      "CC[C@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O\n",
      "CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1ccnc1\n",
      "CCC[C@@H]1C[C@@H](C(=O)N[C@@H](C(C)Cl)[C@H]2O[C@@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1\n",
      "CCC(C)(Oc1ccc(C2(c3ccc(OC(C)(CC)C(=O)O)cc3)CCCCC2)cc1)C(=O)O\n",
      "Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F\n",
      "CC(C)(C)CC(C)(C)c1ccc(O)c(Cc2ccc(Cl)cc2Cl)c1\n",
      "O=C1CN=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2N1\n",
      "N#Cc1cc2[nH]c(=O)c(=O)[nH]c2cc1[N+](=O)[O-]\n",
      "NC(=O)N/N=C/c1ccc(Oc2ccc(F)cc2)cc1\n",
      "CC(C)c1nc(CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1\n",
      "O=C(c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CC(O)([C@@H]2CCCCN2)C1\n",
      "C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(C)=O)[C@@H](OC(=O)CCN(C)C)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C\n",
      "COc1ccc(/C=C\\c2cc(OC)c(OC)c(OC)c2)cc1O\n",
      "Cc1nc2c([nH]1)-c1ccccc1N(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)CC2\n",
      "Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C[C@H]1O\n",
      "CCNC1(C(N)=O)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1\n",
      "CC(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1\n",
      "O=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1\n",
      "O=C(O)[C@H](Cc1ccc(Nc2nccc3ccncc23)cc1)NC1=C(Br)C(=O)C12CCCCC2\n",
      "CCOc1ccccc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1\n",
      "O=C(NO)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1\n",
      "COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC\n",
      "O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12\n",
      "O=C(c1ccc2c(c1)OCO2)N1CCCCC1\n",
      "Cc1cnc(CNC(=O)c2c(=O)c3ccc(N4CCCN(C)CC4)nc3n3c2sc2ccccc23)cn1\n",
      "CC1=C2[C@@H](CCC(N)=O)[C@](C)(CC(N)=O)[C@]3(C)[C@@H]4[C@H](CC(N)=O)[C@@](C)(CCC(=O)NC[C@@H](C)OP(=O)(O)O[C@@H]5[C@H](CO)O[C@H](n6cnc7cc(C)c(C)cc76)[C@@H]5O)C5=[N+]4[Co]4(C#N)(N23)[N+]2=C(C=C3[C@@H](CCC(N)=O)[C@](C)(CC(N)=O)C1=[N+]34)C(C)(C)[C@H](CCC(N)=O)C2=C5C\n",
      "CC(=O)O[C@@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@H]5[C@]4(C)[C@@H]3CC[C@@]21C\n",
      "O=c1cccc2n1C[C@H]1CNCC2C1\n",
      "N[C@H](CO)C(=O)O\n",
      "CCCCCCOC(=O)/N=C(/N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1\n",
      "COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN1CCCCC1\n",
      "Nc1ccncc1\n",
      "CN(C)NC(=O)CCC(=O)O\n",
      "NCC(=O)N1C[C@H](NC(=O)c2ccccc2)C[C@H]1C(=O)O\n",
      "CCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)ccc2Cl)cc1\n",
      "Cc1cc(C)c(Nc2ccnc(Nc3ccc(C#N)cc3)n2)c(C)c1\n",
      "CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(SCc2ccc(F)cc2)nc(=O)c2c1CCC2\n",
      "CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc(N)cc1\n",
      "COc1c(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C\n",
      "Cc1c(Cn2ccnc2)c2ccccc2n1CCC(=O)O\n",
      "O=C(O)c1ccc(OCCn2ccnc2)cc1\n",
      "CNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3nccnc3N(C)S(C)(=O)=O)n2)cc1\n",
      "O=C(O)c1ccc(-n2nc(-c3ccccc3O)nc2-c2ccccc2O)cc1\n",
      "CO[C@H]1C[C@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@H](OP(C)(C)=O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C\n",
      "C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CCC2=O\n",
      "CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cccc(-c2ccccc2)n1)[C@@H](C)O)B(O)O\n",
      "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)O\n",
      "N=C(N)NCCCC(NC(=O)C1CCCN1C(=O)C1CSSCCC(=O)NC(Cc2ccc(O)cc2)C(=O)NC(Cc2ccccc2)C(=O)NC(CCC(N)=O)C(=O)NC(CC(N)=O)C(=O)N1)C(=O)NCC(N)=O\n",
      "CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1\n",
      "CCCCCN(CCCOC)C(=O)[C@@H](CCC(=O)O)NC(=O)c1ccc(Cl)c(Cl)c1\n",
      "COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@@H]1c1cccc([N+](=O)[O-])c1\n",
      "COc1ccc2c(c1)CN(C)CC2c1ccc(Cl)c(Cl)c1\n",
      "Nc1ncnc2c1ncn2[C@H]1CC[C@@H](CO)O1\n",
      "C[C@@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)CC#N\n",
      "O=S(=O)(O)CCSSCCS(=O)(=O)O\n",
      "COC(=O)/C=C/C(=O)OC\n",
      "N=C(N)c1ccc(/N=N/Nc2ccc(C(=N)N)cc2)cc1\n",
      "CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCC[C@H]3CCO)nc12\n",
      "CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\\CCCC(=O)O\n",
      "Fc1ccc2nc(CCC#Cc3ccccn3)cn2c1\n",
      "CCC[C@@H](NC(=O)N1C(=O)C(CC)(CC)[C@@H]1Oc1ccc(C(=O)N2CCN(C)CC2)cc1)c1ccc2c(c1)OCO2\n",
      "CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)C12)C3(C)C\n",
      "O=C(C(c1ccccc1)c1ccccc1)N1CCN(CC(O)COc2cccc3ncccc23)CC1\n",
      "O=C(O[C@H]1C[C@@H]2C[C@@H]3C[C@@H](C1)N2CC3=O)c1c[nH]c2ccccc12\n",
      "CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)c1nccs1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C\n",
      "C[C@H]1CCO[C@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N12\n",
      "N#Cc1ccc(N2CCN(C(=O)COc3ccc4[nH]cc(CCN)c4c3)CC2)cc1\n",
      "CCN[C@@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21\n",
      "C[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@@H](O)[C@@H]1O\n",
      "C[C@H]1c2cccc(O)c2C(=O)C2C(=O)[C@]3(O)C(=O)C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21\n",
      "CCCn1c(=O)c2nc(C3CCCC3)[nH]c2n(CCC)c1=O\n",
      "CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "C[C@]12CCC3C(C1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1)[C@H]1C[C@H]1C1=CC(=O)CC[C@@]13C\n",
      "N=C(N)NCCC[C@H](N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)O\n",
      "C[C@]12CC[C@@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@H]2C(=O)Nc1cc(C(F)(F)F)ccc1C(F)(F)F\n",
      "COc1cc(/C=C2\\CCCN([C@@H](C)c3ccc(F)cc3)C2=O)ccc1-n1cnc(C)c1\n",
      "CC(C)c1cc2c(cc1S(=O)(=O)O)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2\n",
      "CN1CCc2nc(C(=O)N[C@H]3C[C@H](C(=O)N(C)C)CC[C@@H]3NC(=O)C(=O)Nc3ccc(Cl)cn3)sc2C1\n",
      "CCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O\n",
      "Cc1cc(C)cc(NC(=O)Cc2ccc(OC(C)(C)C(=O)O)cc2)c1\n",
      "Cc1cc(Oc2ccc3nc(COc4ccc(CC5SC(=O)NC5=O)cc4)n(C)c3c2)cc(C)c1N\n",
      "NCCCC(N)(C(=O)O)C(F)F\n",
      "COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3cccc4c(=O)c5cccc(OC)c5[nH]c34)cc1)CC2\n",
      "CN1CCC(COc2cnc(-c3cccc(Cn4nc(-c5cccc(C#N)c5)ccc4=O)c3)nc2)CC1\n",
      "COc1ccc(C(=O)N2CCCc3cc(C4=NNC(=O)SC4C)ccc32)cc1OC\n",
      "OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(O[C@H]4CCOC4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O\n",
      "Nc1nc(=O)n([C@@H]2CS[C@H](CO)O2)cc1F\n",
      "CC1(C)[C@@H](O)CC[C@]2(C)[C@@H]3C(=O)C=C4[C@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12\n",
      "CCCn1c(=O)[nH]c(=O)c2[nH]cnc21\n",
      "CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)CO)CC3)c(F)c2)C(=O)O1\n",
      "NC1=NCC2c3ccccc3Cc3ccccc3N12\n",
      "CNC[C@H](O)c1ccc(O)c(O)c1\n",
      "COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@H]3O[C@H]1C[C@H](N)[C@@H](O)[C@H](C)O1\n",
      "C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H]5S[C@@H]5C[C@@]43C)[C@@H]1CC[C@@H]2O\n",
      "COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]24CCC(=O)O4)[C@H]13\n",
      "C/C(=C\\c1csc(C)n1)[C@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@H](O)CC(=O)O1\n",
      "N=C(N)NCCCCC1NC(=O)CCSSCC(C(N)=O)NC(=O)C2CCCN2C(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CC(=O)O)NC(=O)CNC1=O\n",
      "Oc1ccc([C@H]2COc3cc(O)ccc3C2)cc1\n",
      "C=C1/C(=C\\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)(C)O)C[C@@H](O)C[C@@H]1O\n",
      "Oc1ccc([C@@H]2Oc3ccc(O)cc3[C@@H]3CCC[C@@H]32)cc1\n",
      "O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c(O)cc2o1\n",
      "C[C@]12CCC3c4ccc(OC(=O)N(CCCl)CCCl)cc4CCC3C1CC[C@@H]2O\n",
      "C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@H]3[C@@H]1CC[C@@H]2OP(=O)(O)O\n",
      "O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O\n",
      "CCc1cc2c(s1)-n1c(C)nnc1CN=C2c1ccccc1Cl\n",
      "Cn1c(=O)c2c(ncn2CCOC(=O)C(C)(C)Oc2ccc(Cl)cc2)n(C)c1=O\n",
      "COc1cc([C@@H]2c3cc4c(cc3C(OC3O[C@@H]5COC(C)O[C@H]5[C@H](O)[C@H]3O)C3COC(=O)[C@@H]32)OCO4)cc(OC)c1O\n",
      "Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc(N)c1Br\n",
      "COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OCCO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C\n",
      "CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@@H](C)C[C@@H]2CC[C@@H](OCCO)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\\C)[C@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C\n",
      "O=C(N[C@H]1CN2CCC1CC2)c1cc2cccc(Cl)c2s1\n",
      "CCCCCCOc1ccccc1C(N)=O\n",
      "CC(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O\n",
      "CC(O)C1C(=O)N2C(C(=O)O)=C(C3CCCO3)SC12\n",
      "NC(=O)c1nc(F)cnc1O\n",
      "Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1F\n",
      "Clc1ccc(C(Cn2ccnc2)OCc2ccc(Sc3ccccc3)cc2)c(Cl)c1\n",
      "Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)cc1I\n",
      "NC(=O)C1CC2(NC(=O)NC2=O)c2cc(F)ccc2O1\n",
      "CCc1c(Cl)c(O)c(Cl)c(O)c1C(=O)O[C@H]1[C@H](O)[C@H](OC)[C@H](OC/C2=C\\C=C\\C[C@H](O)/C(C)=C\\[C@H](CC)[C@H](O[C@@H]3OC(C)(C)[C@@H](OC(=O)C(C)C)[C@H](O)[C@H]3O)C(C)=C/C(C)=C/C[C@H]([C@@H](C)O)OC2=O)O[C@@H]1C\n",
      "O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1\n",
      "CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1\n",
      "CCOCc1cc(OC)c(-c2ccc(C[C@H](NC(=O)c3c(F)cccc3F)C(=O)O)cc2)c(OC)c1\n",
      "O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@@H](CO)O2)cc1F\n",
      "Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O\n",
      "Cc1ncc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1\n",
      "Fc1ccc(C(c2ccccc2)(c2ccccc2F)n2ccnc2)cc1\n",
      "COCCCC/C(=N\\OCCN)c1ccc(C(F)(F)F)cc1\n",
      "c1ccc(OCc2ccc(CCCN3CCOCC3)cc2)cc1\n",
      "C[C@]12CC[C@H]3[C@@H](CCC4C(=O)C(=O)CC[C@@]43C)[C@@H]1CCC2=O\n",
      "C[C@H]1O[C@H]1P(=O)(O)O\n",
      "COc1ccc(Nc2ccn(-c3ccccc3)n2)cc1\n",
      "O=c1[nH]c(=O)n([C@H]2CCCO2)cc1F\n",
      "C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)C3[C@@H]1CC[C@@H]2O\n",
      "CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)C3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(/CCC=C(C)C)C(=O)O\n",
      "C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@@]43C)C1CC=C2n1cnc2ccccc21\n",
      "COc1ccc(CCN(C)CCCC(C#N)(c2cc(OC)c(OC)c(OC)c2)C(C)C)cc1OC\n",
      "CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@](C)(O)CC[C@]4(C)[C@H]3CC[C@]12C\n",
      "CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3c(ccn3C)c2)c(O)cc1O\n",
      "C=C(C)[C@@H](CC=C(C)C)C[C@@]12C[C@@H](C=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(=C(O)c3ccc(O)c(O)c3)C1=O)C2=O\n",
      "CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)C[C@H]3O)CC1)c1ccc(Cl)cc1\n",
      "CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)C[C@@H]3O)CC1)c1ccc(Cl)cc1\n",
      "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1)C1CCCCC1\n",
      "Cc1c(NC(=O)c2cc3c(s2)CCCC3)cccc1-c1cn(C)c(=O)c(Nc2ccc(C3C(=O)N(C)CCN3C)cc2)n1\n",
      "Cc1c(CN2CCN(C(=O)[C@H](C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12\n",
      "Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12\n",
      "CO/N=C1\\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1CN\n",
      "CNCCn1c(=O)c2cc(OC)c(OC)cc2c2cnc3cc4c(cc3c21)OCO4\n",
      "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21CC\n",
      "O=c1cc(O)c(Cl)c[nH]1\n",
      "C[C@H]1C(=O)O[C@H]2[C@@H](O)C34[C@@H]5C[C@@H](C(C)(C)C)C36[C@H](O)C(=O)O[C@H]6O[C@]4(C(=O)O5)[C@]21O\n",
      "CN1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)C[C@@H]1c1nc2ccccc2[nH]1\n",
      "COc1cc2c(=O)c(-c3ccc(O)cc3)coc2cc1O\n",
      "CN1CCN(C2CCN(C(=O)Nc3cc(Oc4ccc(NC(=O)C5(C(=O)Nc6ccc(F)cc6)CC5)c(F)c4)ccn3)CC2)CC1\n",
      "CC(C)C[C@H](NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NNC(N)=O\n",
      "CN1C2CCCC1CC(NC(=O)c1nn(C)c3ccccc13)C2\n",
      "C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)O[C@@H]1C[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(=O)NS(=O)(=O)C1CC1\n",
      "COC1=CC(=O)C[C@@H](C)[C@@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O\n",
      "O=C1NC(=O)C(=Cc2ccc3nccc(-c4ccncc4)c3c2)S1\n",
      "CC(C)c1noc(N2CCC(COc3ccc(-c4ccc(S(C)(=O)=O)cc4)nc3)CC2)n1\n",
      "Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2cccc(F)c2)sc1Cl\n",
      "COc1cccc(Nc2c(C(N)=O)cnc3c(C)cc(S(=O)(=O)c4cccc(C(=O)N(C)C)c4)cc23)c1\n",
      "Cc1c(Cn2c(C)nc3c(C(=O)O)cc(N4CCOCC4)cc32)cccc1C(F)(F)F\n",
      "CC(C)Oc1ccc(C(=O)N[C@H](CNC(=O)CN(C)C)Cc2ccc(-c3cn4cccc([C@H](C)O)c4n3)cc2)cc1Cl\n",
      "O=C([O-])CCNc1cc(N2CCc3ccccc3CC2)nc(-c2ccccn2)n1\n",
      "O=C([O-])CCNc1cc(N2CCc3ccccc3CC2)nc(-c2cccnc2)n1\n",
      "CCOC(=O)CCNc1cc(N2CCc3ccccc3CC2)nc(-c2ccccn2)n1\n",
      "N=C(N)NCC1COC2(CCCCC2)O1\n",
      "N=C(N)NCCN1CCCCCCC1\n",
      "O=C(NCC1CCOCC1)c1cnc(Nc2ccc(Cl)cc2Cl)nc1C(F)(F)F\n",
      "CC1(C)O[C@@H]2CC3C4CCC5=CC(=O)CCC5(C)C4(F)C(O)CC3(C)[C@]2(C(=O)CCl)O1\n",
      "CC(C)c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1\n",
      "COc1ccc([C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2)cc1O\n",
      "COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(-c2c[nH]c3ccccc23)n1\n",
      "CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(/C=C/c4cnc5[nH]ccc5c4OC)c3)cc2C(F)(F)F)CC1\n",
      "COc1ccc(N(C(=O)Nc2c(C)cccc2C)c2cc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncn2)c(OC)c1\n",
      "NCCc1c[nH]cn1\n",
      "NC(=O)NO\n",
      "COc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n([C@H](C)c3ccccn3)c12\n",
      "CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21\n",
      "CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O\n",
      "C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1\n",
      "CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12\n",
      "CCCCCCCN(CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1\n",
      "NC(=O)CCCCn1ccc(/N=C(\\N)NCC(F)(F)F)n1\n",
      "O=C(O)CCC/C=C\\C[C@@H]1CO[C@H](C(F)(F)F)O[C@@H]1c1ccccc1O\n",
      "O=C(O)CC/C=C\\C[C@@H]1CO[C@H](c2ccccc2Cl)O[C@@H]1c1ccccc1O\n",
      "Fc1ccc2c(CCNCc3cccc(OCC(F)(F)C(F)F)c3)c[nH]c2c1\n",
      "COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](C#N)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F\n",
      "O=c1[nH]c(=O)n([C@H]2C[C@H](O)C(CO)O2)cc1I\n",
      "CS(=O)(=O)Nc1cc2occ(NC=O)c(=O)c2cc1Oc1ccccc1\n",
      "N=C1NC(=O)N2CC12\n",
      "CCc1cc2c(cc1CC)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2\n",
      "O=C(Nc1ccncc1)C(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12\n",
      "CC(=O)N(C)c1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1\n",
      "CCC(C(=O)O)c1ccc(N2Cc3ccccc3C2=O)cc1\n",
      "O=C(NC1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccccc1\n",
      "Cn1cc(C[C@@H](N)C(=O)O)c2ccccc21\n",
      "C/C=C(/C)C(=O)O[C@H]1C(C)=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]12O)[C@H]1[C@@H](C[C@H]3C)C1(C)C\n",
      "O=c1[nH]cnc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O\n",
      "O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O\n",
      "O=C(NCc1ccc(Oc2ccccc2)cc1)c1nc(-c2cc(Br)c(O)c(Br)c2)no1\n",
      "O=C(O)CNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O\n",
      "CC(C)[N+]1(C)C2CC[C@H]1C[C@@H](OC(=O)C(CO)c1ccccc1)C2\n",
      "CC(C)Cn1cnc2c1c(=O)n(C)c(=O)n2C\n",
      "CC1=CC(=NNc2cc(S(=O)(=O)O)c(C)cc2C)C(N)=CC1=O\n",
      "Clc1ccc(C(Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "CC(C)c1ccc2c(c1)C(N1CCN(CCO)CC1)Cc1ccc(F)cc1S2\n",
      "C[C@]12CC[C@H]3[C@@H](CC(=O)[C@H]4C/C(=N/OCCN)CC[C@@]43C)[C@@H]1CCC2=O\n",
      "CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O\n",
      "COc1cc2c(cc1OC)CC(=O)N(CCCN(C)C[C@@H]1Cc3cc(OC)c(OC)cc31)CC2\n",
      "CC(C)(C)c1cc(C(C)(C)C)c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O\n",
      "C/C(=C\\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)N1\n",
      "CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B1OC(=O)CC(CC(=O)O)(C(=O)O)O1\n",
      "N#Cc1c(NC(=O)c2cccc3ccccc23)sc2c1CCCC2\n",
      "CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(OC(=O)CC(C)C)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O\n",
      "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@H](CC(=O)OC(C)(C)C)c1nnc(C)n1-2\n",
      "Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)OC(C)(C)C)c1nnc(C)n1-2\n",
      "COc1ccc(C2(CNC(=O)c3ccc(NC(=O)c4ccco4)cc3)CCOCC2)cc1\n",
      "O=c1c(-c2ccc(O)cc2)coc2c(C3OC(CO)C(O)C(O)C3O)c(O)ccc12\n",
      "OC1O[C@@H]2COC(c3ccccc3)O[C@H]2[C@H](O)[C@H]1O\n",
      "CCCCCCCCCCCCCCOc1ccc(C(=O)O)o1\n",
      "CC(C)NC(=O)COc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)c1\n",
      "CC(=O)N1CCN(c2ccc(OCC3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1\n",
      "COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1cncs1\n",
      "O=C1Nc2cc(Br)ccc2C1=C1N=c2ccccc2=C1NO\n",
      "N#CC1=C(N)NC(=C2C(=O)C=CC=C2OCC2CC2)C=C1C1CCNCC1\n",
      "CC1CCN(c2cc(N3CCN(C)CC3)ccc2NC(=O)c2cc(C#N)c[nH]2)CC1\n",
      "Cc1ccc(Nc2cc(-c3cccc(N4C(=O)c5ccccc5C4=O)c3)ncn2)cc1NS(C)(=O)=O\n",
      "O=C(c1ccc(/C=C/c2n[nH]c3ccccc23)cc1)N1CCNCC1\n",
      "CCc1c(O)cc(O)c(C(=O)c2ccc(OCCN3CCOCC3)c(OC)c2)c1CC(=O)N(CCOC)CCOC\n",
      "O=C(Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2)cn1)NCc1ccccc1\n",
      "NC(=O)NCCCC(N)C(=O)O\n",
      "C[N+](C)(C)[C@@H](Cc1c[nH]c(=S)[nH]1)C(=O)O\n",
      "COC(=O)[C@@H](N)CCCNC(=N)N[N+](=O)[O-]\n",
      "CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccccc1/C=C/C(=O)OC(C)(C)C\n",
      "OC[C@H](O)[C@@H](O)C(O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO\n",
      "COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1\n",
      "O=C(CS(=O)Cc1ccco1)NC/C=C\\COc1cc(CN2CCCCC2)ccn1\n",
      "CS(=O)(=O)c1cc(F)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3\n",
      "CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCCCC1\n",
      "O=C(O)C[C@H]1CC[C@H](c2ccc(-c3ccc(Nc4ccc(C(F)(F)F)nc4)cn3)cc2)CC1\n",
      "COC(=O)N[C@H](C(=O)N1CC2(CC2)C[C@H]1c1ncc(-c2ccc3c(c2)C(F)(F)c2cc(-c4ccc5nc([C@@H]6[C@H]7CC[C@H](C7)N6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c5c4)ccc2-3)[nH]1)C(C)C\n",
      "COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O\n",
      "c1ccc(Cn2c(N3CCNCC3)nc3ccccc32)cc1\n",
      "CCc1nn(CCO)c(CC)c1Oc1cc(C#N)cc(C#N)c1\n",
      "O=C(O)CSc1nnc(Br)n1-c1ccc(C2CC2)c2ccccc12\n",
      "C[C@]12OC(C[C@]1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O\n",
      "COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1\n",
      "c1ccc([C@H]2CN3CCSC3=N2)cc1\n",
      "CC1(C)Oc2ccc(C#N)cc2[C@@H](N2CCCC2=O)[C@@H]1O.CC1(C)Oc2ccc(C#N)cc2[C@H](N2CCCC2=O)[C@H]1O\n",
      "CC(C)(C)NC[C@H](O)COc1cccc2c1CCCC2=O\n",
      "c1ccc2c(c1)Sc1ccccc1N2CC1CN2CCC1CC2\n",
      "C[C@@H]1CC(=O)NN=C1c1ccc(NN=C(C#N)C#N)cc1\n",
      "COC(=O)NC(C)CNc1nccc(-c2cn(C(C)C)nc2-c2cc(Cl)cc(NS(C)(=O)=O)c2F)n1\n",
      "NC(=O)N1c2ccccc2CC(O)c2ccccc21\n",
      "C=CC(C)(C)c1cc(C=CC(=O)c2ccc(O)cc2)c(OC)cc1O\n",
      "CNC(=N)NC(=O)Nc1c(C)cccc1C\n",
      "CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C\n",
      "N=c1c[n+](N2CCOCC2)[n-]o1\n",
      "C[C@]1(O)C[C@@H](c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn32)C1\n",
      "COc1cccc(N(C)C(=S)Oc2ccc3c(c2)CCCC3)n1\n",
      "CS(=O)(=O)Oc1ccc2c(NC(N)=O)c(C(=O)c3ccc(Cl)cc3Cl)oc2c1\n",
      "CC(O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O\n",
      "O=C(O)c1ccccc1Nc1cc(Cl)ccc1C(=O)O\n",
      "N#Cc1cc(NC(=O)C(=O)O)c(Cl)c(NC(=O)C(=O)O)c1\n",
      "Nc1nc(OCc2cc(Br)cs2)c2[nH]cnc2n1\n",
      "O=C(NC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)c1ccccc1-c1ccc(C(F)(F)F)cc1\n",
      "NC(=O)N1CCC(CC(=O)N2CCC([C@H]3c4ncc(Br)cc4CCc4cc(Cl)cc(Br)c43)CC2)CC1\n",
      "C[C@H]1CNCCc2ccc(Cl)cc21\n",
      "Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NCC(C)(C)C)cn1\n",
      "CNC(=O)c1cccc2cc(Oc3ccnc4cc(OCC5(N)CC5)c(OC)cc34)ccc12\n",
      "N#C/C(=C1/SC[C@@H](c2ccc(Cl)cc2Cl)S1)n1ccnc1\n",
      "Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1cccc(C(=O)O)c1\n",
      "O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1C[C@@H]1CCCC[C@H]1CN1CCN(c2nsc3ccccc23)CC1\n",
      "COc1cccc(-c2ccc([C@@H](Oc3cc(-c4ccc(C[C@H](N)C(=O)O)cc4)nc(N)n3)C(F)(F)F)cc2)c1\n",
      "Fc1ccc(-c2c3cccc(C(F)(F)F)c3nn2Cc2ccc(F)cc2Cl)cc1\n",
      "O=C1NC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cc(F)cc13)CN(C(=O)N1CCCCC1)CC2\n",
      "O=C(O)[C@@H]1C[C@H]2C[C@@H](CCc3nn[nH]n3)CC[C@H]2CN1\n",
      "Cc1cccc(-c2nn3c(c2-c2ccnc4ccc(C(N)=O)cc24)CCC3)n1\n",
      "CC(C)(C)Cn1c(N)nc2ccc(-c3[nH]c(C(C)(C)C)nc3-c3ccc(F)cc3)nc21\n",
      "CCCC(CCC)C(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1\n",
      "Cc1cnc(NC(=O)Nc2cc(Br)c(C)cc2OC[C@@H]2CNCCO2)cn1\n",
      "Cc1cc(Nc2cc(CN3CCOCC3)c3nc(C)c(Cc4ccc(Cl)cc4F)n3n2)[nH]n1\n",
      "Cc1ccc(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)c(F)c2)c(=O)n1-c1ccc(F)cc1\n",
      "C[C@@]1(c2cc(-c3cncnc3)c(F)cc2F)CCSC(N)=N1\n",
      "C[C@@H](Oc1ccc2[nH]nc(/C=C/c3cnn(CCO)c3)c2c1)c1c(Cl)cncc1Cl\n",
      "NC1=N[C@@]2(c3cc(NC(=O)c4ccc(F)cn4)ccc3F)COC[C@@H]2CS1\n",
      "CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1\n",
      "CC(C)OC(=O)C(C(=O)OC(C)C)=C1SC=CS1\n",
      "OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO\n",
      "CC(C)Nc1nc2cc(Cl)c(Cl)cc2n1[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O\n",
      "CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C\n",
      "CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1\n",
      "[2H]C([2H])([2H])C(O)(CCO[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3/C[C@@H](O)C[C@H](O)C3=C)CCC[C@]12C)C([2H])([2H])[2H]\n",
      "OC1(c2ccc(Cl)cc2)c2ccccc2C2=NCCN21\n",
      "CCc1cnc(N2CCC(c3nc(COc4ccc(-n5cnnn5)cc4)cs3)CC2)nc1\n",
      "Cn1cc(C=CC(=O)c2cccc(F)c2)cc1C=CC(=O)NO\n",
      "Clc1cccc(N2CCNCC2)c1\n",
      "Cc1cccc(C(C)c2c[nH]cn2)c1C\n",
      "CC(=O)O[C@]1(C(C)=O)CCC2C3C[C@H](C)C4=CC(=O)CC[C@]4(C)C3CC[C@@]21C\n",
      "COc1ccc(Cl)cc1C(=O)NCCc1ccc(C(=O)O)cc1\n",
      "CN1C(=O)/C(=C2/C(=O)Nc3ccccc32)c2ccccc21\n",
      "CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1\n",
      "O=C1NC(=S)NC(=O)C1C(=O)Nc1ccccc1\n",
      "CC(C)C(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(F)[C@@H]1OC(=O)C(C)C\n",
      "COc1cc(NC(=O)Nc2cccc(CNC(=O)O[C@H]3CCOC3)c2)ccc1-c1cnco1\n",
      "Nc1nccc(Oc2ccc(NC(=O)c3c[nH]cc(-c4ccc(F)cc4)c3=O)cc2F)c1Cl\n",
      "CSCCC(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C(N)Cc1ccc(O)cc1)C(=O)O\n",
      "CN1CC(CNC(=O)OCc2ccccc2)C[C@H]2c3cccc4c3c(cn4C)CC21\n",
      "CC(=O)SCCC(=O)N1C(C)CCCC1C(=O)O\n",
      "C[N@@+]1(CC2CC2)CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@]3(O)[C@H]1C5\n",
      "C[C@H]1CC2C3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)C2[C@@]2(C)C=CC(=O)C=C12\n",
      "COC(=O)C=CC(=O)N(O)CCCCNCc1ccc(COC(=O)Nc2cccc3ccccc23)cc1\n",
      "O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)ccc21\n",
      "CC(C)S(=O)(=O)NC[C@H](C)c1ccc(-c2ccc(CCNS(C)(=O)=O)cc2)cc1\n",
      "OCCN1C[C@@H](O)[C@@H](O)C(O)C1CO\n",
      "CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO\n",
      "CCCCCNCC(N)=O\n",
      "CCN(CC)C(=O)C1(c2ccccc2)CC1CN\n",
      "CCCCCCCCCCCCCCCCOP(=O)(O)OCC[N+](C)(C)C\n",
      "CCCOc1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1-c1nc2c(CCC)cn(CC)c2c(=O)[nH]1\n",
      "O=C(O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1\n",
      "O=C(O)CC[C@H]1CC[C@@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1\n",
      "CN1C(=O)C(F)=C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C(=O)NCc5nc6cccnc6[nH]5)CC[C@H]4[C@@H]3CC[C@@H]12\n",
      "CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1\n",
      "COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3[C@@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1\n",
      "CN(C[C@@H]1COCCO1)S(=O)(=O)Nc1ccc2ccc3ncc(-c4cnn(C)c4)cc3c(=O)c2c1\n",
      "O=C(CN1C(=O)C2(CCCC2)NC[C@H]1c1cc(F)cc(F)c1)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21\n",
      "Cn1cc(-c2cnc3ccc4ccc(CS(=O)(=O)NCc5ccccn5)cc4c(=O)c3c2)cn1\n",
      "O=C(O)Cn1nnc(-c2cc(N3CCC(Oc4cc(F)ccc4Br)CC3)no2)n1\n",
      "CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc21\n",
      "C[C@@H](NC(=O)c1ncnc(N)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1\n",
      "CCOC(=O)Nc1c[n+](N2CCOCC2)no1\n",
      "CO/N=C1/C[C@]2(C[C@@H]3C[C@@H](C/C=C(\\C)C[C@@H](C)/C=C/C=C4\\CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)O[C@H](/C(C)=C/C(C)C)[C@H]1C\n",
      "Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N(C)C)c3ccccc32)cc1\n",
      "FC(F)(F)c1ccc(/C=C/c2nc(COc3ccc(CCCCn4ccnn4)cc3)co2)cc1\n",
      "Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-n2ccnc2)cc1\n",
      "N=C(N)Nc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1\n",
      "O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21\n",
      "CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1\n",
      "O[C@H](CNC[C@@H](O)[C@H]1CCc2cc(F)ccc2O1)[C@@H]1CCc2cc(F)ccc2O1\n",
      "Cc1cccc(C)c1NC(=O)CN1CCCC1=O\n",
      "COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O\n",
      "CNc1cc(OC)c(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)cc1Cl.CNc1cc(OC)c(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)cc1Cl\n",
      "NC(=O)Cc1cccc(C(=O)c2ccccc2)c1N\n",
      "CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CCO)S(C)(=O)=O)c(C3CC3)cc12\n",
      "Cc1ccccc1-c1cc(N2CCN(C)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1\n",
      "CC(CNC(=O)c1cccnc1)NC(=O)c1cccnc1\n",
      "CCN(CC)C(=O)c1cccnc1\n",
      "CCN(CC)Cc1nccn1-c1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1Cl\n",
      "CN1CCN(c2ccc(OC(F)(F)F)c(Nc3ncc4c(n3)-c3c(c(C(N)=O)nn3CCO)CC4)c2)CC1\n",
      "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4C3CC[C@@]21CC\n",
      "CC(C)CCNc1ncccc1C(=O)N1CCN(Cc2ccccc2)CC1\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCC2)C1\n",
      "CCNC(=O)C1=C(c2ccc(CN3CCOCC3)cc2)C(=C2C=C(C(C)C)C(O)=CC2=O)ON1\n",
      "Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C\n",
      "N#Cc1ccc(NCCNCC(=O)N2CCC[C@H]2C#N)nc1\n",
      "CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl\n",
      "CC(C)(C)/[N+]([O-])=C/c1ccc(S(=O)(=O)O)cc1S(=O)(=O)O\n",
      "Nc1nc(OCc2ccccc2)c2[nH]cnc2n1\n",
      "CC(C)c1ccc(C(=O)NCCOc2ccc(C(=O)O)cc2)cc1\n",
      "CC(C)(F)C[C@H](N[C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)(F)F)C(=O)NC1(C#N)CC1\n",
      "CS(=O)(=O)Nc1ccc2oc3c(OC(F)F)ccc(C(=O)Nc4c(Cl)cncc4Cl)c3c2c1\n",
      "Cc1[nH]c(=O)c(C#N)cc1-c1ccc2nccn2c1\n",
      "COC(=O)N1CCN(Cc2cccc(NC(=O)Nc3ccc(C)nc3)c2F)CC1\n",
      "COC[C@H](NC(=O)c1cnc(C)s1)C(=O)N[C@@H](COC)C(=O)N[C@@H](Cc1ccccc1)C(=O)C1(C)CO1\n",
      "CC(C)C[C@H](N[C@@H](Cc1cncn1Cc1cc(Cl)cc(Cl)c1)C(=O)O)C(=O)O\n",
      "CC1(CN)Cc2ccccc2C1\n",
      "CNC(=O)c1ccc2cc([C@]3(O)CCn4cncc43)ccc2c1\n",
      "CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](N)[C@H]1NC(C)=O\n",
      "COc1cccc2c1=NC(=c1nc(C3CCC(C(=O)O)CC3)n3c1=C(N)N=CN3)C=2\n",
      "C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C\n",
      "C[C@](O)(COc1ccc(C#N)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1\n",
      "COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](C)NC(=O)c1ccc(-c2cc[n+]([O-])cc2)cc1\n",
      "CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1\n",
      "CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1N[C@H]1CC[C@H](CN(C)C)CC1\n",
      "C[C@]12COC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O\n",
      "O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1\n",
      "Clc1ccc(CO/N=C(\\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1\n",
      "Oc1nc2ccccc2n1C1CCN(CCOc2ccccc2)CC1\n",
      "O=c1[nH]c(=O)c2c[nH]nc2[nH]1\n",
      "O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(OC(F)(F)F)cc1)C2\n",
      "COc1ccc(COc2cc3oc(=O)c4cc(C(C)O)ccc4c3cc2OC)cc1\n",
      "CC1(C)CCC(C)(C)c2cc(Cn3cccn3)c(/C=C/c3ccc(C(=O)O)cc3)cc21\n",
      "C[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@@]21C)C(C)(C)O\n",
      "NCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](c2ccccc2)NC(=O)[C@@H]2C[C@@H](OC(=O)NCCN)CN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC1=O\n",
      "Cc1cc(Cn2cnc3c2C[C@@H](C(=O)O)N(C(=O)C(c2ccccc2)c2ccccc2)C3)ccc1N(C)C\n",
      "COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC\n",
      "Cc1cccn2c(=O)c(-c3nnn[nH]3)cnc12\n",
      "CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)O\n",
      "N#Cc1ccccc1-c1cc(-c2ccccn2)cn(-c2ccccc2)c1=O\n",
      "Cn1cc(-c2ccncc2)c(-c2ccc(OCc3ccc4ccccc4n3)cc2)n1\n",
      "CCC[C@H](N[C@H]1CCc2cc(F)cc(F)c2C1)C(=O)Nc1cn(C(C)(C)CNCC(C)(C)C)cn1\n",
      "Cc1nc(Nc2n[nH]c3c2CN(C(=O)N[C@H](CN(C)C)c2ccccc2)C3(C)C)c2sccc2n1\n",
      "CC(=O)NCC(=O)N1[C@H]2CC[C@@H]1c1cc(Nc3ncc(C(F)(F)F)c(NC4CCC4)n3)ccc12\n",
      "O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1\n",
      "C[C@@H]1CN(Cc2ncccn2)C[C@H]1c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1\n",
      "O=C(Nc1cccnn1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1\n",
      "Nc1ncnc2c1C(=O)N(c1ccc([C@H]3CC[C@H](CC(=O)O)CC3)cc1)CCO2\n",
      "COc1ccc(-c2cc3c(C)nc(N)nc3n([C@H]3CC[C@H](OCCO)CC3)c2=O)cn1\n",
      "CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4c(c3)CCC(=O)N4)ncc2C(F)(F)F)c1\n",
      "COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2\n",
      "CNC(=O)c1ccc(C)c(-n2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)c1\n",
      "O=C1NCCc2[nH]c(-c3ccncc3)cc21\n",
      "CNC(=O)c1nn(C)c2c1C(C)(C)Cc1cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc1-2\n",
      "CCC(c1ccccc1)c1c(O)c2ccccc2oc1=O\n",
      "NC(=O)CC[C@H](NC(=O)Cc1ccccc1)C(=O)O\n",
      "CNC[C@H](O)c1cccc(O)c1\n",
      "CN1CCN(c2ccc3nc(-c4ccc5nc(-c6ccc(O)cc6)[nH]c5c4)[nH]c3c2)CC1\n",
      "COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC1CCCC1\n",
      "CC(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(=O)(=O)NCCO)c2)s1\n",
      "Cc1ccnc(NC(=O)C(C)c2cccc(C(=O)c3ccccc3)c2)c1\n",
      "COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1\n",
      "CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1\n",
      "CC[C@@H]1/C=C(\\C)C[C@H](C)C[C@H](OC)[C@@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](Cl)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC\n",
      "COc1ccc(-c2nc3cc(C4=NNC(=O)CC4C)ccc3[nH]2)cc1\n",
      "COc1cc(Br)c(C[N+]2(CCOCCC3CC[C@H]4C[C@@H]3C4(C)C)CCOCC2)cc1OC\n",
      "COC1C(O)[C@@H](O)C(O)C(O)[C@H]1O\n",
      "O=C(O)c1cc(O)c2c3nc4ccccc4oc-3cc(=O)c2n1\n",
      "O=C(O)C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1\n",
      "O=C(Nc1ccncc1)Nc1ccc(-c2nc(N3CCOCC3)nc(N3C4CCC3COC4)n2)cc1\n",
      "Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O\n",
      "C#CCC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1\n",
      "CC[C@H](C)C(=O)O[C@@H]1C[C@H](O)C=C2C=C[C@H](C)[C@@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@H]21\n",
      "CC(=O)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C\n",
      "COCCOc1ccc(N2CCN(CCn3ncc4c3nc(N)n3nc(-c5ccco5)nc43)CC2)cc1\n",
      "Cc1nc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)sc1S(N)(=O)=O\n",
      "NC(=O)C1CCCN1C(=O)C(Cc1c[nH]cn1)NC(=O)C1CCC(=O)N1\n",
      "N#Cc1cc(CN2CCC(Nc3ncnc4sc(Cl)cc34)CC2)ccc1F\n",
      "Cc1c(N2C(=O)[C@@H]3[C@H](O)CCN3C2=O)ccc(C#N)c1Cl\n",
      "C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(N)nc1=O\n",
      "CC(C)OC(=O)[C@H](C)N[P@@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1\n",
      "COc1cc(C=Cc2ccc(O)cc2)cc(OC)c1\n",
      "N=C(N)NC(=O)c1cnccn1\n",
      "Nc1nc(Nc2ccc3c(c2)CC[C@@H](N2CCCC2)CC3)nn1-c1cc2c(nn1)-c1ccccc1CCC2\n",
      "COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(S(C)(=O)=O)CC2)nc1N\n",
      "CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3\n",
      "CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCc4cnn[nH]4)cc3)c(F)c2)C(=O)O1\n",
      "Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21\n",
      "O=C(O)CCn1c2c(c3ccccc31)C[C@H](NS(=O)(=O)c1ccc(F)cc1)CC2\n",
      "CCC(=O)NCC[C@@H]1CCc2ccc3c(c21)CCO3\n",
      "C#CCN[C@@H]1CCc2ccccc21\n",
      "CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc4ncccc4c3)c(F)c2)ccn1\n",
      "CCOc1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1.CCOc1ccccc1O[C@H](c1ccccc1)[C@H]1CNCCO1\n",
      "COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(C[C@H](O)CO)CC1\n",
      "CNC(=O)c1cnn(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)C(O)C4O)c3n2)c1\n",
      "CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)ccn1\n",
      "CC(C)Cc1ccc([C@@H](C)C(=O)NS(C)(=O)=O)cc1\n",
      "CCOC(=O)C1=CCCC[C@H]1S(=O)(=O)Nc1ccc(F)cc1Cl\n",
      "CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O\n",
      "CN(C)Cc1ccc(S(=O)(=O)n2ccc(/C=C/C(=O)NO)c2)cc1\n",
      "Oc1cccc(O)c1\n",
      "C=C[C@@]1(C)C[C@@H](OC(=O)CS[C@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O\n",
      "CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N\n",
      "Cc1ccc(C(=O)NCCCCCC(=O)Nc2ccccc2N)cc1\n",
      "CC(C)(C(=O)NCC(F)(F)C(F)(F)F)C(=O)N[C@@H]1C(=O)Nc2ccccc2-c2ccccc21\n",
      "NC(=O)c1ncn([C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1\n",
      "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)C(O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C\n",
      "Cc1cc(/C=C/C#N)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1\n",
      "COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N\n",
      "C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(F)c12\n",
      "O=C(NCC1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)c1ccc(Cl)s1\n",
      "O=C(NOCCO)c1cc(CN2OCCCC2=O)c(F)c(F)c1Nc1ccc(I)cc1F\n",
      "C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3OC)ncc2C(F)(F)F)c1\n",
      "C=CC[N+]1([C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)[C@@H](N6CCOCC6)C[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]2OC(C)=O)CCCC1\n",
      "O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1\n",
      "C/C=C1\\NC(=O)[C@H]2CSSCC/C=C/[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@H](C(C)C)NC1=O\n",
      "CCCN(CCc1cccs1)[C@H]1CCc2c(O)cccc2C1\n",
      "COc1cc2c(cc1OC)[C@@H]1Cc3ccc(OC)c(OC)c3CN1CC2\n",
      "CC[C@H]1OC(=O)[C@H](C)[C@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N\\OCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O\n",
      "CC(C)c1cc(-c2ccc(F)c3ccccc23)nc(N)n1\n",
      "CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCCCO\n",
      "CCCCc1ccc(O)cc1O\n",
      "NC(=O)c1cn(Cc2c(F)cccc2F)nn1\n",
      "Cc1cncc(CN2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)c1\n",
      "C[C@@H]1O[C@@H](OC[C@H]2OC(Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O\n",
      "O=S1(=O)N[C@H]2CCCN2c2ccccc21\n",
      "N#CC[C@@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1\n",
      "CCOC(=O)[C@H](C)C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)CCC(=O)O\n",
      "C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O\n",
      "CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)O\n",
      "CC(C)(C)NC(=O)[C@@H]1CC2CCCCC2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1\n",
      "CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1\n",
      "CNCC(=O)O\n",
      "O=C(Oc1ccccc1C(=O)O)c1ccccc1O\n",
      "N#C[C@@H]1C[C@@H]2C[C@H]2N1C(=O)[C@@H](N)C12CC3CC(CC(O)(C3)C1)C2\n",
      "COc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1\n",
      "COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1\n",
      "CN(C)CCOc1ccc(-c2nc(=c3ccc4c(c3)CCC=4N=O)c(=C3C=CNC=C3)[nH]2)cc1\n",
      "COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(=O)O)cc1\n",
      "O=C(Nc1ccccc1Br)N[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1\n",
      "Cc1ccc(C(=O)N(CCCN)[C@@H](c2oc3cc(Cl)ccc3c(=O)c2Cc2ccccc2)C(C)C)cc1\n",
      "COc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1OC\n",
      "CCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCN(CC)CC\n",
      "COc1cccc(-c2ccc(NC(=O)C3=C(C(=O)O)CCC3)c(F)c2)c1\n",
      "CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1[N+](=O)[O-]\n",
      "C#CCN(C)C(C)Cc1ccccc1\n",
      "O=C(/C=C\\n1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)NNc1cnccn1\n",
      "CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@H]1C(=O)N(C)CCc2ccccc21\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "NC(=O)C(c1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1\n",
      "C=C1/C(=C\\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/C=C/C(O)(CC)CC)C[C@@H](O)C[C@@H]1O\n",
      "O=C(O)c1cc2occc2[nH]1\n",
      "CN[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21\n",
      "CN1CCC2=C(C1)c1ccccc1Cc1ccccc12\n",
      "CN1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1\n",
      "COc1ccc2c(O[C@H]3CC4C(=O)N(C)CCCC/C=C\\[C@@H]5C[C@@]5(C(=O)NS(=O)(=O)C5CC5)NC(=O)[C@@H]4C3)cc(-c3nc(C(C)C)cs3)nc2c1C\n",
      "Fc1ccc(-n2cc(CCCCN3CCC4(CC3)OCc3ccccc34)c3ccccc32)cc1\n",
      "C=CCN1CC[C@]2(C)c3cc(O)ccc3CC1[C@@H]2C\n",
      "CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC\n",
      "CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(N[C@H]4CC[C@H](O)CC4)c3)c2C1\n",
      "Cc1cc(OCC(=O)O)cc(C)c1Cc1ccc(O)c(C(C)C)c1\n",
      "Cc1cc(S(=O)(=O)O)c2c(C)ccc(C(C)C)cc1-2\n",
      "Cc1c(S(=O)(=O)O)oc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C\n",
      "CC(C)=CCOc1ccc(/C=C/C(=O)c2ccc(OCC=C(C)C)cc2OCC(=O)O)cc1\n",
      "O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccccc1\n",
      "O=C1NC(=O)C2(CCOc3ccc(F)cc32)N1\n",
      "CN1CCN(c2nc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3ccccc3n2)CC1\n",
      "CC1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@H](C)N1\n",
      "CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)C21\n",
      "O=C(O)c1ccccc1Nc1cccc(OCc2ccc3ccccc3n2)c1\n",
      "COc1ccc(CCN(C)CCCOc2ccc(S(=O)(=O)c3c(C(C)C)c4ccccc4n3C)cc2)cc1OC\n",
      "Oc1ccc2ccccc2c1Cc1c(O)ccc2ccccc12\n",
      "Cc1cccc(/C=N/Nc2cc(N3CCOCC3)nc(OCCc3ccccn3)n2)c1\n",
      "Cc1[nH]c(/C=C2/C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1\n",
      "CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2cccs2)CC1\n",
      "CC1(C)[C@@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O\n",
      "C/C(=C(/CCOC(=O)C(C)C)SS/C(CCOC(=O)C(C)C)=C(\\C)N(C=O)Cc1cnc(C)nc1N)N(C=O)Cc1cnc(C)nc1N\n",
      "COc1cc(S(C)=O)ccc1-c1nc2ncccc2[nH]1\n",
      "CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(F)cc32)c1C\n",
      "Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3nc4cc(Cl)ccc4o3)CC[C@H]2C)c1\n",
      "O=C(O)CCc1cc(C(=O)c2ccc(OC3CCCC3)cc2O)ccc1OCc1ccc2c(O)noc2c1\n",
      "C=C1/C(=C\\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CC[C@@H](O)C(C)C)C[C@@H](O)C[C@@H]1O\n",
      "C=CC[C@@H]1/C=C(\\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/C3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC\n",
      "O=C(O)c1ccc2nc(-c3cc(Cl)cc(Cl)c3)oc2c1\n",
      "O=C(CO)C(O)C(O)C(O)CO\n",
      "CC(C)(O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(C(F)(F)F)c4)c(Cl)c3)c21\n",
      "Cn1c(=O)c(F)c(Nc2ccc(I)cc2F)c2c(=O)n(C[C@@H](O)CO)cnc21\n",
      "Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1\n",
      "CN(C(=O)c1ccc(F)cc1C(F)(F)F)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1\n",
      "Cn1ncnc1[C@H]1c2n[nH]c(=O)c3cc(F)cc(c23)N[C@@H]1c1ccc(F)cc1\n",
      "CC(C)(C)NCC(O)COc1ccc(NC(=O)NC2CCCCC2)cc1\n",
      "C[C@H]1CN(C(=O)c2cc3c(C(=O)C(=O)N(C)C)cn(C)c3cc2Cl)[C@H](C)CN1Cc1ccc(F)cc1\n",
      "CC[C@H](NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1\n",
      "CN1C(=O)C[C@@H](C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@H]2C(N)=O)NC1=O\n",
      "CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(S(N)(=O)=O)c1\n",
      "Cn1c(C#N)ccc1-c1ccc2c(c1)C(C)(C)OC(=S)N2\n",
      "C[C@H](NC(=O)C(C)(C)Oc1ccc(C(F)(F)F)cn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(C#N)c1\n",
      "CNC(=N)NCCC[C@H](N)C(=O)O\n",
      "CN(C)CCNc1nc2cc(O)ccc2c2c1C(=O)c1ccccc1-2\n",
      "Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1\n",
      "O=C(NS(=O)(=O)c1ccc(Br)s1)c1ccc(Cl)cc1Cl\n",
      "COc1cccc2c1c(O)c(C(=O)N(C)c1ccc(C(F)(F)F)cc1)c(=O)n2C\n",
      "CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(C)(C)CCS3)nc1\n",
      "C[C@]1(Cn2ccnn2)C(C(=O)O)N2C(=O)CC2S1(=O)=O\n",
      "C[C@@H]1C(SC2CN(C3=NCCS3)C2)=C(C(=O)OCOC(=O)C(C)(C)C)N2C(=O)[C@H]([C@@H](C)O)[C@H]12\n",
      "Fc1ccc(Cn2c(NC3CCNCC3)nc3ccccc32)cc1\n",
      "Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](CO)OC4=O)cc3F)cn2)n1\n",
      "Fc1ccccc1-c1nc2ccn(Cc3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)nn3)cc-2n1\n",
      "CNC(=O)c1cc(COc2nnc(Nc3ccc(Cl)cc3)c3ccoc23)ccn1\n",
      "Cc1cn([C@@H]2C[C@@H](O)[C@H](CO)O2)c(=O)[nH]c1=O\n",
      "O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1\n",
      "CCOC(=O)N1CSCC1C(=O)O\n",
      "Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(-c3ccc(C[C@H](N)C(=O)O)cc3)nc(N)n2)C(F)(F)F)n1\n",
      "CN1C(=O)C(O)N=C(c2ccccc2)c2cc(Cl)ccc21\n",
      "Oc1cccc(-c2c3nc(c(-c4cccc(O)c4)c4ccc([nH]4)c(-c4cccc(O)c4)c4nc(c(-c5cccc(O)c5)c5ccc2[nH]5)CC4)C=C3)c1\n",
      "CO[C@H]1C[C@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@H](OC(=O)C(C)(CO)CO)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C\n",
      "Cc1cc(N2CCN([C@@H]3CN[C@H](C(=O)N4CCSC4)C3)CC2)n(-c2ccccc2)n1\n",
      "CC(=O)C(C#N)C(=O)Nc1ccc(C(F)(F)F)cc1\n",
      "O=c1n(CC2CO2)c(=O)n(CC2CO2)c(=O)n1CC1CO1\n",
      "CCO[C@@H](Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(=O)O\n",
      "O=C1NC(O)CCN1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O\n",
      "Cc1cc(-c2cc(OC(=O)c3ccccc3)ccc2Cl)cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12\n",
      "Cn1c(COP(=O)(NCCBr)NCCBr)cnc1[N+](=O)[O-]\n",
      "O=C(O)CCCCC1CCSS1\n",
      "Nc1nc2nc[nH]c2c(=S)[nH]1\n",
      "C#C[C@]1(O)CC[C@@H]2C3[C@H](CC[C@@]21C)C1=C(CC(=O)CC1)C[C@H]3C\n",
      "Cc1ccccc1CN1C2=NCCN2C(=O)C2=C1CCN(Cc1ccccc1)C2\n",
      "CCCSc1nc(N[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCCO)[C@H](O)[C@H]3O)c2n1\n",
      "COc1ccc2cc(-c3nc(-c4ccc(S(C)=O)cc4)[nH]c3-c3ccncc3)ccc2c1\n",
      "O=P(O)(O)C(Sc1ccc(Cl)cc1)P(=O)(O)O\n",
      "CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CSCC1C(=O)O\n",
      "CC(C)(C)NC[C@@H](O)COc1nsnc1N1CCOCC1\n",
      "O=C(O)C1CSCN1\n",
      "N=C1CCCN1Cc1[nH]c(=O)[nH]c(=O)c1Cl\n",
      "CCC[C@@]1(CCc2ccccc2)CC(=O)C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cn3)c2)C(=O)O1\n",
      "Nc1n[n+]([O-])c2ccccc2[n+]1[O-]\n",
      "C#Cc1cnc2[nH]c(=O)n(C(CC)CC)c2n1\n",
      "CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(=O)O\n",
      "NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@@H]3O)[C@@H]2O)[C@@H](N)C[C@@H]1O\n",
      "C[C@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2[nH]ccc12\n",
      "Cc1cccc(Oc2cnc(=O)[nH]c2)c1\n",
      "Cc1ccc(C(=O)C(C)CN2CCCCC2)cc1\n",
      "Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc32)c(C)c1\n",
      "CC(=O)c1ccc2c(c1)[C@H](NC(=O)c1ccc(F)c(Cl)c1)[C@H](O)C(C)(C)O2\n",
      "N#Cc1cc(-c2n[nH]c(-c3ccncc3)n2)ccn1\n",
      "CCOC(=O)N1c2ccc(C(F)(F)F)cc2[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)OC)C[C@H]1CC\n",
      "Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1\n",
      "NCCCS(=O)(=O)O\n",
      "CC(C)OC(=O)CCC/C=C\\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1cccc(C(F)(F)F)c1\n",
      "CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@]4(F)[C@H](O)C[C@]3(C)[C@@]2(C(=O)CO)O1\n",
      "NCCNCCNCCN\n",
      "O=c1[nH]c(=O)n(C2C[C@H](O)[C@@H](CO)O2)cc1C(F)(F)F\n",
      "C[C@]12CC[C@@H]3[C@@H](CC[C@@]45O[C@@H]4C(=O)C(C#N)C[C@]35C)[C@@H]1CC[C@H]2O\n",
      "CC(C)[C@@]12O[C@@H]1[C@@H]1O[C@@]13[C@@]1(C)CCC4=C(COC4=O)[C@H]1C[C@H]1O[C@@]13[C@@H]2O\n",
      "CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O\n",
      "N[C@H]1[C@@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)C[C@H]12\n",
      "NC(=O)c1noc([C@H](CCCC2CCCCC2)CC(=O)NO)n1\n",
      "CC(=O)O[C@@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C\n",
      "OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2\n",
      "COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1\n",
      "O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1\n",
      "O=C(c1cncc(Br)c1)N1CCC(N2CCCC2)CC1\n",
      "NC(N)=O\n",
      "C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C\n",
      "C[C@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C\n",
      "C[C@@H]1C[C@@H](C(=O)O)C2CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@@H]1C\n",
      "CCCCC(=O)OCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O\n",
      "COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1\n",
      "c1cnc2cc3c(cc2n1)C1CNCC3C1\n",
      "CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1Cc1ccccc1\n",
      "CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1\n",
      "C[C@@]1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1\n",
      "CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1\n",
      "COc1ccc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)cc1OC\n",
      "O=C(O)CC1CC(c2ccccc2)=NO1\n",
      "COC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C\n",
      "N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)c2c1\n",
      "CC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@](O)(C(=O)OC)C1)[C@@H]32\n",
      "CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1\n",
      "OCC(CO)N[C@H]1C[C@@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O\n",
      "CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)N[C@H]4CC[C@H](N5CCN(CC6CC6)CC5)CC4)cc3OC)nc2N1C(C)C\n",
      "CN[C@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)C[C@@H]1OC\n",
      "Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1\n",
      "CCn1c(=O)c(-c2cc[nH]n2)cc2c(C)nc(N)nc21\n",
      "O=C(O)CCc1c[nH]c2ccccc12\n",
      "CC(C)[C@](O)(c1ccc2cc(OC(F)F)c(OC(F)F)cc2c1)c1c[nH]nn1\n",
      "CN[C@H](CNC(=O)N1CCC[C@@H]([C@@H](OCCNC(=O)OC)c2cccc(Cl)c2)C1)C[C@H]1CCCOC1\n",
      "CC(C)(C)C#Cc1cc(N(C(=O)[C@H]2CC[C@H](C)CC2)[C@H]2CC[C@@H](O)CC2)c(C(=O)O)s1\n",
      "CC(C)(CO)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2n1C[C@@H](O)CO\n",
      "CCO[C@H]1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(N)c(Cl)c1)C(C)(C)C\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "CC(C)OC(=O)C1=CN(C(=O)c2ccc(F)c(F)c2)CC(C)(C)c2c1[nH]c1ccccc21\n",
      "C=CC(=O)Nc1ccc(CN(C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)c2cc(Nc3ccc(N4CCN(C)CC4)cc3)ncn2)cc1\n",
      "CCN(Cc1ccccc1)C(=O)Cn1c(=O)n(C)c2cnc(-c3ccccc3)nc21\n",
      "CC[C@@H](C)Nc1cc(C(=O)NC2CC3CCC(C2)N3c2ccc(C(=O)C3CC3)cn2)c(C)cc1C(N)=O\n",
      "CN(C)C/C=C/C(=O)Nc1cccc(Nc2ncc3c(n2)N(C)c2ccccc2C(=O)N3C)c1\n",
      "COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CCC(=O)N2C(C)C\n",
      "O=C(CC(c1ccccc1)c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1\n",
      "COCCNC(=O)COc1ccc(OCCNC[C@H](O)COc2ccccc2)cc1\n",
      "Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)[nH]c1=O\n",
      "O=c1[nH]c2cc(C(F)(F)F)c(N3CCOCC3)cc2n(CP(=O)(O)O)c1=O\n",
      "C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1NC(N)=O\n",
      "C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O\n",
      "Fetch CID for all compounds : Time elapsed : 8079.902158498764 seconds\n"
     ]
    }
   ],
   "source": [
    "time_start = time.time()\n",
    "\n",
    "cids_from_smiles = used_cmp_info_cmap['canonical_smiles'].dropna().astype(str).apply(fetch_cids)\n",
    "\n",
    "print('Fetch CID for all compounds : Time elapsed : {} seconds'.format(time.time() - time_start))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 34,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "0           [31772]\n",
       "2         [4043357]\n",
       "3         [2853908]\n",
       "4        [44825297]\n",
       "5          [107867]\n",
       "            ...    \n",
       "21198      [121877]\n",
       "21199        [5726]\n",
       "21200      [208953]\n",
       "21201      [512282]\n",
       "21202       [92400]\n",
       "Name: canonical_smiles, Length: 9035, dtype: object"
      ]
     },
     "execution_count": 34,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "cids_from_smiles"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 57,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Incorrect SMILES : CCP(CC)(CC)=[Au]SC1CC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O\n"
     ]
    }
   ],
   "source": [
    "indexes_incorrect_smiles = []\n",
    "for i in cids_from_smiles.index :\n",
    "    if cids_from_smiles[i] == None :\n",
    "        print('Incorrect SMILES : ' + used_cmp_info_cmap.loc[i, ]['canonical_smiles'])\n",
    "        indexes_incorrect_smiles.append(i)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 61,
   "metadata": {},
   "outputs": [
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "C:\\Users\\Ben\\anaconda3\\lib\\site-packages\\ipykernel_launcher.py:1: SettingWithCopyWarning: \n",
      "A value is trying to be set on a copy of a slice from a DataFrame.\n",
      "Try using .loc[row_indexer,col_indexer] = value instead\n",
      "\n",
      "See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy\n",
      "  \"\"\"Entry point for launching an IPython kernel.\n"
     ]
    }
   ],
   "source": [
    "used_cmp_info_cmap['pubchem_cid_from_smiles'] = cids_from_smiles.drop(indexes_incorrect_smiles).apply(lambda l : '' if len(l) == 0 else float(l[0]))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 77,
   "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>pert_id</th>\n",
       "      <th>pubchem_cid</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>BRD-A00100033</td>\n",
       "      <td>31772.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>BRD-A00267231</td>\n",
       "      <td>4043357.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>BRD-A00420644</td>\n",
       "      <td>2853908.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>BRD-A00474148</td>\n",
       "      <td>44825297.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>5</th>\n",
       "      <td>BRD-A00520476</td>\n",
       "      <td>107867.0</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "         pert_id  pubchem_cid\n",
       "0  BRD-A00100033      31772.0\n",
       "2  BRD-A00267231    4043357.0\n",
       "3  BRD-A00420644    2853908.0\n",
       "4  BRD-A00474148   44825297.0\n",
       "5  BRD-A00520476     107867.0"
      ]
     },
     "execution_count": 77,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "used_pert_id_cid = used_cmp_info_cmap[['pert_id', 'pubchem_cid_from_smiles']]\n",
    "used_pert_id_cid = used_pert_id_cid.rename({'pubchem_cid_from_smiles' : 'pubchem_cid'}, axis=1)\n",
    "used_pert_id_cid = used_pert_id_cid[used_pert_id_cid != 0]\n",
    "used_pert_id_cid.head()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 78,
   "metadata": {},
   "outputs": [],
   "source": [
    "used_pert_id_cid.to_csv(raw_data_directory + 'cid_from_smiles.csv')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 82,
   "metadata": {},
   "outputs": [],
   "source": [
    "pert_id_to_pubchem_cid = pd.concat([L1000_cids, LINCS_cids, used_pert_id_cid])\n",
    "pert_id_to_pubchem_cid = pert_id_to_pubchem_cid.drop_duplicates()\n",
    "pert_id_to_pubchem_cid = pert_id_to_pubchem_cid.dropna()\n",
    "pert_id_to_pubchem_cid['pubchem_cid'] = pert_id_to_pubchem_cid['pubchem_cid'].astype(int)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 83,
   "metadata": {},
   "outputs": [],
   "source": [
    "pert_id_to_pubchem_cid.to_csv(pert_id_to_pubchem_cid_path, index=False)"
   ]
  }
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