Skip to content

Instantly share code, notes, and snippets.

@PatWalters

PatWalters/bindingdb_inchikey.ipynb

Created October 8, 2024 00:36
Show Gist options
  • Save PatWalters/3f97e8e235563427af6e063d58c7c67a to your computer and use it in GitHub Desktop.
Save PatWalters/3f97e8e235563427af6e063d58c7c67a to your computer and use it in GitHub Desktop.
Download ZIP
Using InChI keys to find cases where the same molecule is present in different charge states
Display the source blob
Display the rendered blob
Raw
bindingdb_inchikey.ipynb
{
"cells": [
{
"cell_type": "code",
"execution_count": 62,
"id": "ab122eb6-2910-4c1e-9f5a-b172ba7be44f",
"metadata": {},
"outputs": [],
"source": [
"import pandas as pd\n",
"import mols2grid"
]
},
{
"cell_type": "markdown",
"id": "0c237716-7864-4746-9720-90b1a2e40d0e",
"metadata": {},
"source": [
"A quick utility function"
]
},
{
"cell_type": "code",
"execution_count": 54,
"id": "fbfb4c12-bb51-4e76-bf33-0d677d6d7eb8",
"metadata": {},
"outputs": [],
"source": [
"def value_counts_df(df_in, col_in):\n",
" \"\"\"Returns pd.value_counts() as a DataFrame\n",
"\n",
" :param df_in: Dataframe on which to run value_counts(), must have column `col`.\n",
" :param col_in: Name of column in `df` for which to generate counts\n",
" :return: Returned dataframe will have two columns, one named \"count\" which contains the count_values()\n",
" for each unique value of df[col]. The other column will be named `col`.\n",
" \"\"\"\n",
" df_out = pd.DataFrame(df_in[col_in].value_counts())\n",
" df_out.index.name = col_in\n",
" df_out.columns = ['count']\n",
" return df_out.reset_index()"
]
},
{
"cell_type": "markdown",
"id": "4fb67480-247f-4ce1-a838-2e9c4f4c410a",
"metadata": {},
"source": [
"Read the BindingDB tsv file, just a few columns to conserve memory"
]
},
{
"cell_type": "code",
"execution_count": 11,
"id": "98a28920-b43d-4a52-92c4-9521801c97a5",
"metadata": {},
"outputs": [],
"source": [
"columns_to_read = ['BindingDB Reactant_set_id', 'Ligand SMILES', 'Ligand InChI Key']"
]
},
{
"cell_type": "code",
"execution_count": 14,
"id": "3bc71e3d-7d5d-4f7f-94ed-6fa03d05a2e6",
"metadata": {},
"outputs": [],
"source": [
"df = pd.read_csv(\"BindingDB_All.tsv\",sep=\"\\t\", usecols=columns_to_read)"
]
},
{
"cell_type": "markdown",
"id": "2c5c265d-ea70-45f9-83de-5c9045f80a43",
"metadata": {},
"source": [
"Remove the spaces from column names for convenience"
]
},
{
"cell_type": "code",
"execution_count": 48,
"id": "91f5bdba-fa92-4d52-bf30-50c0b2a1d565",
"metadata": {},
"outputs": [],
"source": [
"df.columns = [x.replace(\" \",\"_\") for x in df.columns]"
]
},
{
"cell_type": "markdown",
"id": "7f9d0a10-dafa-4a21-8e98-89479153807e",
"metadata": {},
"source": [
"Get the unique molecules"
]
},
{
"cell_type": "code",
"execution_count": 49,
"id": "ba2cf912-8595-45bc-ad48-0e370710d4bb",
"metadata": {},
"outputs": [],
"source": [
"df_unique = df.drop_duplicates(subset='Ligand_InChI_Key').copy()"
]
},
{
"cell_type": "markdown",
"id": "6835eaa5-4baf-44a3-9dcf-c2a25189dd70",
"metadata": {},
"source": [
"Trim of the last part of the InChI key that specifies the charge state"
]
},
{
"cell_type": "code",
"execution_count": 50,
"id": "f51492f9-9294-4dfd-ab7d-b515dfc04b6f",
"metadata": {},
"outputs": [],
"source": [
"df_unique['inchi_base'] = df_unique['Ligand_InChI_Key'].str.extract(r\"([^-]+-[^-]+)\")"
]
},
{
"cell_type": "markdown",
"id": "22e0fad8-23d6-4deb-9594-8733798ad30a",
"metadata": {},
"source": [
"Find the molecules with more than one occurence of inchi_base"
]
},
{
"cell_type": "code",
"execution_count": 57,
"id": "53540d86-109c-4aa2-b589-2bc303b2bc73",
"metadata": {},
"outputs": [],
"source": [
"count_df = value_counts_df(df_unique,\"inchi_base\").query(\"count > 1\")"
]
},
{
"cell_type": "markdown",
"id": "d4950f8c-0707-461d-a9ae-21aa223fc5e5",
"metadata": {},
"source": [
"Create a new dataframe with the molecules represented as multiple charge states"
]
},
{
"cell_type": "code",
"execution_count": 66,
"id": "59dc425c-e9bd-49d6-a43f-f02d8bcd84a8",
"metadata": {},
"outputs": [],
"source": [
"dupe_df = df_unique.query(\"inchi_base in @count_df.inchi_base\").copy()"
]
},
{
"cell_type": "markdown",
"id": "8a798f62-16c4-4008-9ffc-3faa95cdb4dd",
"metadata": {},
"source": [
"Sort the records to by inchi_base"
]
},
{
"cell_type": "code",
"execution_count": 72,
"id": "256a31fc-f499-47ea-83be-aa83e8c09534",
"metadata": {},
"outputs": [],
"source": [
"dupe_df.sort_values(\"inchi_base\",inplace=True)"
]
},
{
"cell_type": "markdown",
"id": "71e52bf5-ecfa-4cd7-84e7-7c7e11a3c1e6",
"metadata": {},
"source": [
"View the data"
]
},
{
"cell_type": "code",
"execution_count": 73,
"id": "ea97bec7-781c-4cb6-8dab-bba85ffdc725",
"metadata": {},
"outputs": [
{
"data": {
"application/vnd.jupyter.widget-view+json": {
"model_id": "8e60f3d290d44f63a7d5f7d72df4dfaf",
"version_major": 2,
"version_minor": 0
},
"text/plain": [
"MolGridWidget()"
]
},
"metadata": {},
"output_type": "display_data"
},
{
"data": {
"text/html": [
"<style>\n",
" /* Some CSS to integrate with Jupyter more cleanly */\n",
" div.output_subarea {\n",
" /* Undo an unfortunate max-width parameter\n",
" that causes the output area to be too narrow\n",
" on smaller screens. */\n",
" max-width: none;\n",
"\n",
" /* Align the table with the content */\n",
" padding: 0;\n",
"\n",
" /* Let it breathe */\n",
" margin-top: 20px;\n",
" }\n",
"</style>\n",
"\n",
"<iframe class=\"mols2grid-iframe\" frameborder=\"0\" width=\"100%\"\n",
" \n",
" \n",
" allow=\"clipboard-write\"\n",
" \n",
" \n",
" sandbox=\"allow-scripts allow-same-origin allow-downloads allow-popups allow-modals\"\n",
" \n",
" srcdoc=\"\n",
"\n",
"\n",
"\n",
"&lt;html lang=&quot;en&quot;&gt;\n",
" &lt;head&gt;\n",
" &lt;meta charset=&quot;UTF-8&quot; /&gt;\n",
" &lt;meta http-equiv=&quot;X-UA-Compatible&quot; content=&quot;IE=edge&quot; /&gt;\n",
" &lt;meta name=&quot;viewport&quot; content=&quot;width=device-width, initial-scale=1.0&quot; /&gt;\n",
" &lt;title&gt;Document!&lt;/title&gt;\n",
"\n",
"\n",
"\n",
" &lt;style&gt;\n",
" /**\n",
" * General styling\n",
" */\n",
"body {\n",
" font-family: &#x27;DejaVu&#x27;, sans-serif;\n",
"}\n",
"h1,h2,h3,h4 {\n",
" margin: 0 0 10px 0;\n",
"}\n",
"h1 {\n",
" font-size: 26px;\n",
"}\n",
"h2 {\n",
" font-size: 20px;\n",
" font-weight: 400;\n",
"}\n",
"h3 {\n",
"\tfont-size: 16px;\n",
"}\n",
"p {\n",
" margin: 0 0 10px 0;\n",
"}\n",
"\n",
"\n",
"/* Remove body margin inside iframe */\n",
"body.m2g-inside-iframe {\n",
" margin: 0;\n",
"}\n",
"\n",
"/* In-cell text */\n",
"#mols2grid .data:not(.data-img) {\n",
" height: 16px;\n",
" line-height: 16px;\n",
"}\n",
"/* Text truncation */\n",
"#mols2grid .data {\n",
" /* Break text into multiple lines (default for static)... */\n",
" word-wrap: normal;\n",
"\n",
" /* ...or truncate it (default for interactive). */\n",
" overflow: hidden;\n",
" white-space: nowrap;\n",
" text-overflow: ellipsis;\n",
"}\n",
"\n",
"\n",
"/**\n",
" * Popover\n",
" * - - -\n",
" * Note: this is a bootstrap variable which is not namespaced.\n",
" * To avoid any contamination, we only style it when the\n",
" * x-placement parameter is set.\n",
" */\n",
".popover[x-placement] {\n",
" font-family: &#x27;DejaVu&#x27;, sans-serif;\n",
" background: white;\n",
" border: solid 1px rgba(0,0,0,.2);\n",
" font-size: 12px;\n",
" padding: 10px;\n",
" border-radius: 5px;\n",
" box-shadow: 0 0 20px rgba(0,0,0,.15);\n",
" user-select: none;\n",
"}\n",
".popover[x-placement] h3 {\n",
" margin: 0;\n",
"}\n",
".popover[x-placement] .arrow {\n",
" width: 10px;\n",
" height: 10px;\n",
" background: #fff;\n",
" border: solid 1px rgba(0,0,0,.2);\n",
" box-sizing: border-box;\n",
" position: absolute;\n",
" transform-origin: 5px 5px;\n",
" clip-path: polygon(0 0, 100% 0, 100% 100%);\n",
"}\n",
".popover[x-placement=&#x27;left&#x27;] .arrow {\n",
" transform: rotate(45deg);\n",
" top: 50%;\n",
" right: -5px;\n",
"}\n",
".popover[x-placement=&#x27;right&#x27;] .arrow {\n",
" transform: rotate(-135deg);\n",
" top: 50%;\n",
" left: -5px;\n",
"}\n",
".popover[x-placement=&#x27;top&#x27;] .arrow {\n",
" transform: rotate(135deg);\n",
" left: 50%;\n",
" bottom: -5px;\n",
"}\n",
".popover[x-placement=&#x27;bottom&#x27;] .arrow {\n",
" transform: rotate(-45deg);\n",
" left: 50%;\n",
" top: -5px;\n",
"}\n",
" body {\n",
" /* Colors */\n",
" --m2g-black: rgba(0,0,0,.75);\n",
" --m2g-black-soft: rgba(0,0,0,.35);\n",
" --m2g-black-10: rgba(0,0,0,.1);\n",
" --m2g-bg: #f6f6f6;\n",
" --m2g-border: solid 1px rgba(0,0,0,0.2);\n",
" --m2g-hl: #555; /* Highlight color */\n",
" --m2g-hl-shadow: inset 0 0 0 1px var(--m2g-hl); /* Inset 1px shadow to make border thicker */\n",
" --m2g-blue: #0f62fe;\n",
" --m2g-blue-soft: rgba(15,98,254,.2);\n",
"\n",
" /* Icons */\n",
" --m2g-icn-triangle: url(&#x27;data:image/svg+xml;utf8,&lt;svg width=&quot;20&quot; fill=&quot;rgba(0,0,0,.75)&quot; height=&quot;20&quot; viewBox=&quot;0 0 20 20&quot; xmlns=&quot;http://www.w3.org/2000/svg&quot;&gt;&lt;path d=&quot;M9.5713 13.285L6.2543 7.757C6.0543 7.424 6.2953 7 6.6823 7L13.3173 7C13.7053 7 13.9463 7.424 13.7453 7.757L10.4283 13.285C10.2343 13.609 9.7653 13.609 9.5713 13.285Z&quot;/&gt;&lt;/svg&gt;&#x27;);\n",
" --m2g-icn-triangle-white: url(&#x27;data:image/svg+xml;utf8,&lt;svg width=&quot;20&quot; fill=&quot;white&quot; height=&quot;20&quot; viewBox=&quot;0 0 20 20&quot; xmlns=&quot;http://www.w3.org/2000/svg&quot;&gt;&lt;path d=&quot;M9.5713 13.285L6.2543 7.757C6.0543 7.424 6.2953 7 6.6823 7L13.3173 7C13.7053 7 13.9463 7.424 13.7453 7.757L10.4283 13.285C10.2343 13.609 9.7653 13.609 9.5713 13.285Z&quot;/&gt;&lt;/svg&gt;&#x27;);\n",
" --m2g-icn-cb-white: url(&#x27;data:image/svg+xml;utf8,&lt;svg width=&quot;16&quot; height=&quot;16&quot; viewBox=&quot;0 0 16 16&quot; fill=&quot;none&quot; stroke=&quot;white&quot; stroke-width=&quot;2.5&quot; stroke-linecap=&quot;round&quot; xmlns=&quot;http://www.w3.org/2000/svg&quot;&gt;&lt;path d=&quot;M4 7.65686L7 10.6569L12.6569 5.00001&quot;/&gt;&lt;/svg&gt;&#x27;);\n",
" \n",
" /* Border radius */\n",
" --m2g-br: 3px;\n",
" --m2g-br-l: var(--m2g-br) 0 0 var(--m2g-br); /* Left-only */\n",
" --m2g-br-r: 0 var(--m2g-br) var(--m2g-br) 0; /* Right-only */\n",
"\n",
" /* Text */\n",
" --m2g-fs: 14px; /* UI font-size */\n",
" --m2g-fs-cell: 12px; /* Cell font-size */\n",
"\n",
" /* Transition speeds */\n",
" --m2g-trans: 150ms;\n",
"\n",
" /* Layout */\n",
" --m2g-h: 40px; /* Form element height */\n",
"}\n",
"\n",
"/* Styling */\n",
"#mols2grid {\n",
" font-family: &#x27;DejaVu&#x27;, sans-serif;\n",
" font-size: var(--m2g-fs);\n",
"}\n",
"\n",
"/* Fixes */\n",
"#mols2grid *,\n",
"#mols2grid *::before,\n",
"#mols2grid *::after {\n",
" box-sizing: border-box;\n",
" outline: none;\n",
"}\n",
"\n",
"\n",
"\n",
"/**\n",
" * Functions section\n",
" */\n",
"\n",
"#mols2grid .m2g-functions {\n",
" display: flex;\n",
"}\n",
"#mols2grid .m2g-functions .m2g-row {\n",
" flex: 0;\n",
" display: flex;\n",
"}\n",
"\n",
"/* Individual elements don&#x27;t scale */\n",
"#mols2grid .m2g-functions .m2g-row &gt; * {\n",
" flex: 0 0;\n",
" margin-right: 10px;\n",
"}\n",
"#mols2grid .m2g-functions .m2g-row:last-child &gt; *:last-child {\n",
" margin-right: 0;\n",
"}\n",
"\n",
"/* Row 1: pagination + gap + sort */\n",
"#mols2grid .m2g-functions .m2g-row:first-child {\n",
" flex: 1; /* Scale */\n",
"}\n",
"#mols2grid .m2g-functions .m2g-gap {\n",
" /* The gap in between will scale, so the pagination\n",
" stays on the left, while the rest moves to the right */\n",
" flex: 1;\n",
" margin-right: 0;\n",
"}\n",
"\n",
"\n",
"\n",
"/*\n",
" * Pagination\n",
" */\n",
"\n",
"#mols2grid ul.m2g-pagination {\n",
" /* Unset defaults */\n",
" list-style-type: none;\n",
" margin-block-start: 0;\n",
" margin-block-end: 0;\n",
" margin-inline-start: 0;\n",
" margin-inline-end: 0;\n",
" padding-inline-start: 0;\n",
"\n",
" /* Custom */\n",
" display: flex;\n",
"}\n",
"#mols2grid ul.m2g-pagination li {\n",
" background: var(--m2g-bg) ;\n",
" border: var(--m2g-border);\n",
" height: var(--m2g-h);\n",
" min-width: calc(var(--m2g-h) + 1px);\n",
" position: relative;\n",
" user-select: none;\n",
" \n",
" /* Compensate for double border */\n",
" margin-right: -1px;\n",
" \n",
" /* Center text */\n",
" display: flex;\n",
" align-items: center;\n",
" justify-content: center;\n",
"}\n",
"#mols2grid ul.m2g-pagination li:last-child {\n",
" min-width: var(--m2g-h);\n",
"}\n",
"#mols2grid ul.m2g-pagination li a {\n",
" text-decoration: none;\n",
" color: var(--m2g-black);\n",
" padding: 0 10px;\n",
" width: 100%;\n",
" height: var(--m2g-h);\n",
" line-height: var(--m2g-h);\n",
" text-align: center;\n",
" /* Compensate for border so there&#x27;s no gap between click areas */\n",
" margin: 0 -1px;\n",
"}\n",
"\n",
"/* Corner shape */\n",
"#mols2grid ul.m2g-pagination li:first-child {\n",
" border-radius: var(--m2g-br-l);\n",
"}\n",
"#mols2grid ul.m2g-pagination li:last-child {\n",
" border-radius: var(--m2g-br-r);\n",
" margin-right: 0;\n",
"}\n",
"\n",
"/* Focus state */\n",
"#mols2grid ul.m2g-pagination li:focus-within {\n",
" border-color: var(--m2g-hl);\n",
" box-shadow: var(--m2g-hl-shadow);\n",
" z-index: 1;\n",
"}\n",
"\n",
"/* Active state */\n",
"#mols2grid ul.m2g-pagination li.active {\n",
" background: var(--m2g-hl);\n",
" z-index: 1;\n",
"}\n",
"#mols2grid ul.m2g-pagination li.active a {\n",
" cursor: default;\n",
" color: #fff;\n",
"}\n",
"\n",
"/* Disabled sate */\n",
"#mols2grid ul.m2g-pagination li.disabled a {\n",
" cursor: default;\n",
" color: rgba(0,0,0,.25);\n",
" pointer-events: none;\n",
"}\n",
"\n",
"\n",
"\n",
"/*\n",
" * Dropdowns\n",
" */\n",
"\n",
"#mols2grid ::placeholder {\n",
" color: var(--m2g-black-soft);\n",
"}\n",
"#mols2grid .m2g-dropdown {\n",
" height: var(--m2g-h);\n",
" background: var(--m2g-bg);\n",
" border: var(--m2g-border);\n",
" border-radius: var(--m2g-br);\n",
" position: relative;\n",
"}\n",
"#mols2grid .m2g-dropdown select {\n",
" -webkit-appearance: none;\n",
" -moz-appearance: none;\n",
" -ms-appearance: none;\n",
" appearance: none;\n",
" background: transparent;\n",
" border: none;\n",
" height: 100%;\n",
" padding: 0 13px;\n",
" min-width: 0;\n",
" max-width: 250px;\n",
" color: var(--m2g-black);\n",
" cursor: pointer;\n",
"}\n",
"\n",
"/* Icon */\n",
"#mols2grid .m2g-dropdown .m2g-icon {\n",
" width: 30px;\n",
" height: var(--m2g-h);\n",
" display: flex;\n",
" align-items: center;\n",
" justify-content: center;\n",
" position: absolute;\n",
" top: 0;\n",
" right: 0;\n",
" pointer-events: none;\n",
"}\n",
"#mols2grid .m2g-dropdown .m2g-icon svg:not(.m2g-stroke) {\n",
" fill: var(--m2g-black);\n",
"}\n",
"#mols2grid .m2g-dropdown .m2g-icon svg.m2g-stroke {\n",
" stroke: var(--m2g-black);\n",
"}\n",
"\n",
"/* Display */\n",
"/* We hide the native select element because\n",
" * it is limited in styling. Instead, we display\n",
" * the selected value in a div. */\n",
"#mols2grid .m2g-dropdown .m2g-display {\n",
" position: absolute;\n",
" left: 0;\n",
" right: 0;\n",
" top: 0;\n",
" bottom: 0;\n",
" pointer-events: none;\n",
" color: var(--m2g-black);\n",
" line-height: var(--m2g-h);\n",
" padding: 0 25px 0 13px;\n",
"\n",
" /* Truncate dropdown text */\n",
" white-space: nowrap;\n",
"\ttext-overflow: ellipsis;\n",
"\toverflow: hidden;\n",
"}\n",
"\n",
"/* Focus state */\n",
"#mols2grid .m2g-dropdown:focus-within {\n",
" border-color: var(--m2g-hl);\n",
" box-shadow: var(--m2g-hl-shadow);\n",
"}\n",
"\n",
"\n",
"\n",
"/**\n",
" * Action dropdown\n",
" */\n",
"\n",
"#mols2grid .m2g-dropdown.m2g-actions {\n",
" width: var(--m2g-h);\n",
" padding: 0;\n",
"}\n",
"#mols2grid .m2g-dropdown.m2g-actions select {\n",
" opacity: 0;\n",
" width: var(--m2g-h);\n",
"}\n",
"#mols2grid .m2g-dropdown.m2g-actions .m2g-icon {\n",
" width: var(--m2g-h);\n",
"}\n",
"\n",
"\n",
"\n",
"/*\n",
" * Sort dropdown\n",
" */\n",
"\n",
"#mols2grid .m2g-dropdown.m2g-sort {\n",
" flex: 0 0 200px;\n",
" width: 200px; /* Needed in addition to flex-basis for small sizes! */\n",
" border-radius: var(--m2g-br);\n",
" background: var(--m2g-bg);\n",
" display: flex;\n",
"}\n",
"\n",
"/* Dropdown */\n",
"#mols2grid .m2g-dropdown.m2g-sort select {\n",
" flex: 1 1;\n",
" opacity: 0;\n",
" /* padding-right: 70px; Space for &quot;Sort:&quot; */\n",
" box-sizing: border-box;\n",
"}\n",
"\n",
"/* Sort order */\n",
"#mols2grid .m2g-dropdown.m2g-sort .m2g-order {\n",
" background: var(--m2g-bg) var(--m2g-icn-triangle) no-repeat center;\n",
" flex: 0 0 30px;\n",
" height: 100%;\n",
" border-left: var(--m2g-border);\n",
" cursor: pointer;\n",
"}\n",
"#mols2grid .m2g-dropdown.m2g-sort.m2d-arrow-desc .m2g-order {\n",
" transform: rotate(180deg);\n",
" border-left: none;\n",
" border-right: var(--m2g-border);\n",
"}\n",
"\n",
"/* Display */\n",
"#mols2grid .m2g-dropdown.m2g-sort .m2g-display {\n",
" right: 31px;\n",
" padding-right: 13px;\n",
"}\n",
"#mols2grid .m2g-dropdown.m2g-sort .m2g-display::before {\n",
" content: &#x27;Sort: &#x27;;\n",
"}\n",
"\n",
"/* Focus state */\n",
"#mols2grid .m2g-dropdown.m2g-sort:focus-within .m2g-display,\n",
"#mols2grid .m2g-dropdown.m2g-sort:focus-within .m2g-order {\n",
" background-color: transparent;\n",
"}\n",
"\n",
"\n",
"\n",
"/*\n",
" * Search bar\n",
" */\n",
"\n",
"#mols2grid .m2g-search-wrap {\n",
" height: var(--m2g-h);\n",
" display: flex;\n",
" align-items: center;\n",
" justify-content: flex-end;\n",
" background: var(--m2g-bg);\n",
" border: var(--m2g-border);\n",
" border-radius: var(--m2g-br);\n",
"}\n",
"#mols2grid .m2g-searchbar {\n",
" width: 170px;\n",
" height: var(--m2g-h);\n",
" padding: 0 13px;\n",
" border: none;\n",
" color: var(--m2g-black);\n",
" cursor: text;\n",
" background: transparent;\n",
"}\n",
"\n",
"/* Focus state */\n",
"#mols2grid .m2g-search-wrap:focus-within {\n",
" border-color: var(--m2g-hl);\n",
" box-shadow: var(--m2g-hl-shadow);\n",
"}\n",
"\n",
"/* Option buttons */\n",
"#mols2grid .m2g-search-options {\n",
" font-size: 12px;\n",
" display: flex;\n",
" height: calc(1.5em + .75rem);\n",
" line-height: calc(1.5em + .75rem);\n",
" margin-right: 5px;\n",
" border-radius: var(--m2g-br);\n",
" color: var(--m2g-black);\n",
"}\n",
"#mols2grid .m2g-search-options .m2g-option {\n",
" background: var(--m2g-black-10);\n",
" padding: 0 13px;\n",
" cursor: default;\n",
" user-select: none;\n",
"}\n",
"#mols2grid .m2g-search-options .m2g-option:not(.sel) {\n",
" cursor: pointer;\n",
"}\n",
"#mols2grid .m2g-search-options .m2g-option:first-child {\n",
" border-radius: 2px 0 0 2px;\n",
"}\n",
"#mols2grid .m2g-search-options .m2g-option:last-child {\n",
" border-radius: 0 2px 2px 0;\n",
"}\n",
"#mols2grid .m2g-search-options .m2g-option.sel {\n",
" background: var(--m2g-hl);\n",
" color: #fff;\n",
"}\n",
"\n",
"\n",
"\n",
"/**\n",
" * Grid\n",
" */\n",
"\n",
"/* Container */\n",
"#mols2grid .m2g-list {\n",
" display: flex;\n",
" flex-wrap: wrap;\n",
" align-items: flex-start;\n",
" justify-content: flex-start;\n",
" padding: 1px; /* Compensate for negative padding on cell */\n",
" user-select: none;\n",
" margin: 0px;\n",
" margin-top: 20px;\n",
" font-family: &#x27;DejaVu&#x27;, sans-serif;\n",
" \n",
"}\n",
"\n",
"/* Cell */\n",
"#mols2grid .m2g-cell {\n",
" border: 1px solid #cccccc;\n",
" text-align: center;\n",
" vertical-align: top;\n",
" font-family: var(--font-family);\n",
" padding: 10px;\n",
" padding-top: max(10px, 20px);\n",
" margin: -1px -1px 0 0;\n",
" flex: 1 0 130px;\n",
" position: relative;\n",
" font-size: var(--m2g-fs-cell);\n",
" cursor: pointer;\n",
" color: var(--m2g-black);\n",
" overflow: hidden;\n",
" box-sizing: border-box;\n",
" background-color: white;\n",
"}\n",
"#mols2grid .m2g-cell:focus {\n",
" z-index: 1;\n",
" border-color: var(--m2g-hl);\n",
" box-shadow: var(--m2g-hl-shadow);\n",
"}\n",
"\n",
"/* Phantom cells to maintain grid structure with less results */\n",
"#mols2grid .m2g-cell.m2g-phantom {\n",
" border: none;\n",
" pointer-events: none;\n",
" height: 0;\n",
" padding: 0;\n",
"}\n",
"\n",
"/* Checkbox &amp; ID */\n",
"#mols2grid .m2g-cb-wrap {\n",
" position: absolute;\n",
" top: 3px;\n",
" left: 3px;\n",
" display: flex;\n",
" border-radius: 2px;\n",
" font-size: 0;\n",
" line-height: 0;\n",
" padding: 3px;\n",
" padding-right: 0;\n",
"}\n",
"#mols2grid .m2g-cb-wrap input[type=checkbox] {\n",
" display: none;\n",
"}\n",
"#mols2grid .m2g-cb-wrap input[type=checkbox] + .m2g-cb {\n",
"\twidth: 16px;\n",
"\theight: 16px;\n",
"\tbox-sizing: border-box;\n",
"\tbackground: #fff;\n",
"\tborder: var(--m2g-border);\n",
"\tborder-radius: 2px;\n",
" margin-right: 5px;\n",
"}\n",
"#mols2grid .m2g-cb-wrap input[type=checkbox]:checked + .m2g-cb {\n",
" border: none;\n",
" background-color: var(--m2g-blue);\n",
" background-image: var(--m2g-icn-cb-white);\n",
"}\n",
"#mols2grid .m2g-tooltip {\n",
" /* This is a div spanning full cell size where the\n",
" tooltip is rendered around, because you can&#x27;t attach\n",
" it to the parent due to list.js limitation. */\n",
" width: 100%;\n",
" height: 100%;\n",
" position: absolute;\n",
" left: 0;\n",
" top: 0;\n",
" z-index: -1;\n",
" pointer-events: none;\n",
" opacity: 0;\n",
"}\n",
"#mols2grid .m2g-cell:has(:checked) {\n",
" background: #ffd !important; /* Overrides user-set background color */\n",
"}\n",
"#mols2grid .data-mols2grid-id-display {\n",
" font-size: var(--m2g-fs-cell);\n",
" line-height: 16px;\n",
"}\n",
"#mols2grid .m2g-cb-wrap input[type=checkbox] + .data-mols2grid-id-display {\n",
" padding: 0 5px 0 5px;\n",
"}\n",
"#mols2grid .m2g-cb-wrap .data-name-display {\n",
" font-size: var(--m2g-fs);\n",
" line-height: 16px;\n",
"}\n",
"\n",
"/* Info + callback button wrap (28px high) */\n",
"#mols2grid .m2g-cell-actions {\n",
" position: absolute;\n",
" top: 0;\n",
" right: 0;\n",
" display: flex;\n",
" flex-direction: row;\n",
" font-size: 0;\n",
" line-height: 0;\n",
" \n",
" /* background: yellow; */\n",
"}\n",
"\n",
"/* Info button */\n",
"#mols2grid .m2g-info {\n",
" width: 28px;\n",
" height: 28px;\n",
" border-radius: 2px;\n",
" line-height: 28px;\n",
" font-size: min(14px, 12px);\n",
" font-family: Georgia, serif;\n",
" font-style: italic;\n",
" padding: 0;\n",
" text-align: center;\n",
"}\n",
"#mols2grid .m2g-keep-tooltip .m2g-info {\n",
" color: #fff;\n",
"}\n",
"#mols2grid .m2g-keep-tooltip .m2g-info::before {\n",
" content: &#x27;i&#x27;;\n",
" width: 18px;\n",
" height: 18px;\n",
" line-height: 18px;\n",
" background: var(--m2g-hl);\n",
" position: absolute;\n",
" left: 5px;\n",
" top: 5px;\n",
" border-radius: 9px;\n",
"}\n",
"\n",
"/* Callback button */\n",
"#mols2grid .m2g-callback {\n",
" width: 28px;\n",
" height: 28px;\n",
" cursor: pointer;\n",
"}\n",
"#mols2grid .m2g-callback::after {\n",
" content: &#x27;&#x27;;\n",
" display: block;\n",
" width: 16px;\n",
" height: 16px;\n",
" margin: 6px;\n",
" border: var(--m2g-border);\n",
" border-radius: 2px;\n",
" background: var(--m2g-bg) var(--m2g-icn-triangle) no-repeat center;\n",
" transform: rotate(-90deg);\n",
"}\n",
"\n",
"/* Image */\n",
"#mols2grid .m2g-cell .data-img {\n",
" padding: 0;\n",
"}\n",
"#mols2grid .m2g-cell img,\n",
"#mols2grid .m2g-cell svg {\n",
" max-width: 100%;\n",
" height: auto;\n",
" padding: 0;\n",
"}\n",
"#mols2grid .m2g-cell svg &gt; rect:first-child {\n",
" /* Remove the SVG background */\n",
" fill: transparent !important;\n",
"}\n",
"\n",
"/* Text below image */\n",
".m2g-copy-blink {\n",
" animation: m2g-blink var(--m2g-trans) 3;\n",
"}\n",
"@keyframes m2g-blink {\n",
" 0% {\n",
" opacity: 1;\n",
" }\n",
" 49% {\n",
" opacity: 1;\n",
" }\n",
" 50% {\n",
" opacity: 0;\n",
" }\n",
" 100% {\n",
" opacity: 0;\n",
" }\n",
"}\n",
"\n",
"/* Copyable text */\n",
".copy-me {\n",
" position: relative;\n",
" cursor: pointer;\n",
"}\n",
"\n",
"\n",
"\n",
"/**\n",
" * Modal popup\n",
" * - - -\n",
" * Triggered by make_popup_callback()\n",
" * See https://mols2grid.readthedocs.io/en/latest/notebooks/callbacks.html#Display-a-popup-containing-descriptors\n",
" */\n",
"\n",
"/* Container */\n",
"#m2g-modal-container {\n",
" display: flex;\n",
" align-items: center;\n",
" justify-content: center;\n",
" background: var(--m2g-black-10);\n",
" position: fixed;\n",
" top: 0;\n",
" left: 0;\n",
" z-index: 1;\n",
" width: 100%;\n",
" height: 100%;\n",
" \n",
" /* Transition */\n",
" opacity: 0;\n",
" transition: opacity var(--m2g-trans) linear;\n",
"}\n",
"\n",
"/* Modal */\n",
"#m2g-modal {\n",
" background: #fff;\n",
" border-radius: var(--m2g-br);\n",
" box-shadow: 0 0 30px var(--m2g-black-10);\n",
" padding: 20px;\n",
" position: relative;\n",
" max-width: calc(100% - 80px);\n",
" max-height: calc(100% - 80px);\n",
" display: flex;\n",
" flex-direction: column;\n",
" min-width: 26px;\n",
"\n",
" /* Transition */\n",
" opacity: 0;\n",
" transform: translate(0, 5px);\n",
" transition: transform var(--m2g-trans) ease-in-out, opacity var(--m2g-trans) linear;\n",
"}\n",
"#m2g-modal .m2g-modal-header {\n",
" flex: 0 0 26px;\n",
" margin-bottom: 10px;\n",
"}\n",
"#m2g-modal .m2g-modal-header h2 {\n",
" margin-bottom: 0;\n",
"}\n",
"#m2g-modal .m2g-modal-header h2 + p {\n",
" font-size: 15px;\n",
"}\n",
"#m2g-modal .m2g-modal-body {\n",
" flex: 1;\n",
" position: relative;\n",
"}\n",
"\n",
"/* Transition */\n",
"#m2g-modal-container.show {\n",
" opacity: 1;\n",
"}\n",
"#m2g-modal-container.show #m2g-modal {\n",
" opacity: 1;\n",
" transform: translate(0, 0);\n",
"}\n",
"\n",
"/* Header + close btn */\n",
"#m2g-modal h2 {\n",
" line-height: 26px;\n",
" padding-right: 40px;\n",
" text-transform: capitalize;\n",
"}\n",
"#m2g-modal h3 {\n",
" \n",
"}\n",
"#m2g-modal button.close {\n",
" background: transparent;\n",
" padding: 0;\n",
" color: var(--m2g-black);\n",
" font-size: 1.5rem;\n",
" width: 40px;\n",
" height: 40px;\n",
" position: absolute;\n",
" top: 13px;\n",
" right: 13px;\n",
" border: none;\n",
"}\n",
"\n",
"/* Image */\n",
"#m2g-modal .svg-wrap svg {\n",
" max-width: 100%;\n",
" margin-bottom: 20px;\n",
"}\n",
"\n",
"/* Separator */\n",
"hr {\n",
" width: 100%;\n",
" height: 1px;\n",
" background: #ddd;\n",
" margin: 15px 0;\n",
" border: none;\n",
"}\n",
"\n",
"\n",
"\n",
"/**\n",
" * Hover states\n",
" */\n",
"@media (hover:hover) {\n",
" /* Pagination */\n",
" #mols2grid ul.m2g-pagination li:not(.active):not(.disabled):hover {\n",
" background: #f0f0f0;\n",
" z-index: 1;\n",
" }\n",
" #mols2grid ul.m2g-pagination li.active + li:hover {\n",
" /* Keeping the hover border consiistent */\n",
" margin-left: 1px;\n",
" border-left: none;\n",
" min-width: 40px;\n",
" }\n",
"\n",
" /* Dropdowns &amp; search */\n",
" #mols2grid .m2g-dropdown:not(:focus-within):hover,\n",
" #mols2grid .m2g-search-wrap:not(:focus-within):hover,\n",
" #mols2grid .m2g-sort:not(:focus-within) .m2g-order:hover {\n",
" background-color: #f0f0f0;\n",
" }\n",
" #mols2grid .m2g-search-wrap:not(:focus-within):hover {\n",
" background: #fff;\n",
" border-color: rgba(0,0,0,.3);\n",
" }\n",
" /* Hocus pocus to have separate hover states for dropdown and arrow */\n",
" #mols2grid .m2g-dropdown.m2g-sort:not(:focus-within):hover .m2g-order:not(:hover) + .m2g-display {\n",
" background-color: transparent;\n",
" }\n",
"\n",
" /* Search options */\n",
" #mols2grid .m2g-search-options .m2g-option:not(.sel):hover {\n",
" background: rgba(0,0,0,.15);\n",
" }\n",
"\n",
" /* Grid */\n",
" /* Note: this is in an ::after pseudo element, so the transparent\n",
" hover color plays nice with the cell background color. */\n",
" #mols2grid .m2g-cell:hover::after {\n",
" content: &#x27;&#x27;;\n",
" width: 100%;\n",
" height: 100%;\n",
" position: absolute;\n",
" top: 0;\n",
" left: 0;\n",
" background-color: rgba(0,0,0,0.05);\n",
" pointer-events: none;\n",
" }\n",
"\n",
" /* info button */\n",
" #mols2grid .m2g-info:hover::before {\n",
" content: &#x27;i&#x27;;\n",
" color: #fff;\n",
" width: 18px;\n",
" height: 18px;\n",
" line-height: 18px;\n",
" background: var(--m2g-hl);\n",
" position: absolute;\n",
" left: 5px;\n",
" top: 5px;\n",
" border-radius: 9px;\n",
" }\n",
" \n",
" /* Callback button */\n",
" #mols2grid .m2g-callback:hover::after {\n",
" background-color: var(--m2g-black);\n",
" background-image: var(--m2g-icn-triangle-white);\n",
" border-color: transparent;\n",
" }\n",
"\n",
" /* Copyable text */\n",
" .copy-me:hover {\n",
" text-decoration: underline;\n",
" text-decoration-color: var(--m2g-blue);\n",
" }\n",
"}\n",
"\n",
"\n",
"\n",
"/**\n",
" * Responsive behavior.\n",
" * - - -\n",
" * Note: container queries won&#x27;t work in older browsers,\n",
" * but this is purely aesthetical behavior so that&#x27;s ok.\n",
" * https://caniuse.com/css-container-queries\n",
" */\n",
"\n",
"/* This sets the msg-list div as reference container */\n",
"#mols2grid {\n",
" container-type: inline-size;\n",
"}\n",
"\n",
"\n",
"\n",
"/**\n",
" * Functions section\n",
" */\n",
"\n",
"/* When there&#x27;s not enough space to put everything in one row, we break it into two.\n",
" * - - -\n",
" * 870px = pagination 280 + sort 200 + search 300 + menu 40 + (3*10 gap) = 850 + 20 buffer.\n",
" * Buffer required because the button width inside the search depends on the font.\n",
" */\n",
"@container (max-width: 870px) {\n",
" #mols2grid .m2g-functions {\n",
" flex-direction: column-reverse;\n",
" gap: 10px;\n",
" }\n",
" #mols2grid .m2g-functions .m2g-row:last-child {\n",
" justify-content: flex-end;\n",
" }\n",
" #mols2grid .m2g-functions .m2g-row:first-child *:last-child {\n",
" margin-right: 0;\n",
" }\n",
"}\n",
"\n",
"/* When there&#x27;s not enough room for pagination + sort on one row,\n",
" * we reduce the sort drodpwon width.\n",
" */\n",
"@container (max-width: 500px) {\n",
" #mols2grid .m2g-functions .m2g-sort {\n",
" width: 80px;\n",
" flex-basis: 80px;\n",
" }\n",
" #mols2grid .m2g-functions .m2g-sort .m2g-display {\n",
" font-size: 0;\n",
" line-height: 0;\n",
" padding-right: 0;\n",
" }\n",
" #mols2grid .m2g-functions .m2g-sort .m2g-display::before {\n",
" content: &#x27;Sort&#x27;;\n",
" font-size: var(--m2g-fs);\n",
" line-height: var(--m2g-h);\n",
" }\n",
"}\n",
"\n",
"/* When there&#x27;s not enough room for pagination + reduced sort on one row,\n",
" * we reduce the pagination width.\n",
" */\n",
"@container (max-width: 500px) {\n",
" /* We&#x27;re overriding min-width from different\n",
" locations, including responsive rules */\n",
" #mols2grid ul.m2g-pagination li,\n",
" #mols2grid ul.m2g-pagination li:last-child,\n",
" #mols2grid ul.m2g-pagination li.active + li:hover {\n",
" min-width: 0;\n",
" }\n",
"}\n",
"\n",
"/* When there&#x27;s not enough room for searchbar + menu\n",
" * we scale down the searchbar to fit the container.\n",
" */\n",
"@container (max-width: 370px) {\n",
" #mols2grid .m2g-functions .m2g-row .m2g-search-wrap {\n",
" flex: 1;\n",
" }\n",
" #mols2grid .m2g-searchbar {\n",
" width: calc(100% - 50px);\n",
" }\n",
" #mols2grid .m2g-search-options {\n",
" width: 50px;\n",
" }\n",
"\n",
" /* Collapse options in T/M buttons */\n",
" #mols2grid .m2g-search-options .m2g-option {\n",
" width: 25px;\n",
" text-align: center;\n",
" padding: 0;\n",
" overflow: hidden;\n",
" }\n",
" #mols2grid .m2g-search-options .m2g-option:first-child::before {\n",
" content: &#x27;T\\A&#x27;\n",
" }\n",
" #mols2grid .m2g-search-options .m2g-option:last-child::before {\n",
" content: &#x27;S\\A&#x27;\n",
" }\n",
"}\n",
"\n",
"\n",
"\n",
"/**\n",
" * Grid\n",
" */\n",
"\n",
"/* When there&#x27;s room for 5 columns, fall back to 4 */\n",
"@container (min-width: 519px) and (max-width: 779px) {\n",
" #mols2grid .m2g-cell {\n",
" flex-basis: calc(100% / 4);\n",
" }\n",
"}\n",
"\n",
"/* When there&#x27;s room for 7-11 columns, fall back to 6 */\n",
"@container (min-width: 779px) and (max-width: 1559px) {\n",
" #mols2grid .m2g-cell {\n",
" flex-basis: calc(100% / 6);\n",
" }\n",
"}\n",
"\n",
"/* When there&#x27;s room for 13+ columns, fall back to 12 */\n",
"@container (min-width: 1559px) {\n",
" #mols2grid .m2g-cell {\n",
" flex-basis: calc(100% / 12);\n",
" }\n",
"}\n",
"\n",
" /* Custom CSS */\n",
" \n",
" &lt;/style&gt;\n",
" &lt;script src=&quot;https://cdnjs.cloudflare.com/ajax/libs/list.js/2.3.1/list.min.js&quot;&gt;&lt;/script&gt;\n",
"&lt;script src=&quot;https://code.jquery.com/jquery-3.6.0.min.js&quot; integrity=&quot;sha256-/xUj+3OJU5yExlq6GSYGSHk7tPXikynS7ogEvDej/m4=&quot; crossorigin=&quot;anonymous&quot;&gt;&lt;/script&gt;\n",
"&lt;script src=&quot;https://unpkg.com/@rdkit/[email protected]/Code/MinimalLib/dist/RDKit_minimal.js&quot;&gt;&lt;/script&gt;\n",
" &lt;script&gt;\n",
" // Set iframe height to fit content.\n",
" function fitIframe(iframe) {\n",
" // Ignore when there&#x27;s no iframe\n",
" if (!iframe) return\n",
"\n",
" // Only fit height when no specific height was given.\n",
" if (iframe.getAttribute(&#x27;height&#x27;)) return;\n",
"\n",
" // Initial fit + refit whenever the window width changes.\n",
" _fit()\n",
" $(window).on(&#x27;resize&#x27;, function() {\n",
" if (window.innerWidth != window.prevInnerWidth) {\n",
" window.prevInnerWidth = window.innerWidth\n",
" _fit();\n",
" }\n",
" })\n",
"\n",
" // Fit iframe height to content height.\n",
" function _fit() {\n",
" var height = iframe.contentDocument.body.scrollHeight + 18 + &#x27;px&#x27;;\n",
" iframe.style.height = height;\n",
" }\n",
" }\n",
"&lt;/script&gt;\n",
"\n",
"&lt;!-- prettier-ignore --&gt;\n",
"&lt;script src=&quot;https://cdn.jsdelivr.net/npm/[email protected]/dist/js/bootstrap.bundle.min.js&quot; integrity=&quot;sha384-Piv4xVNRyMGpqkS2by6br4gNJ7DXjqk09RmUpJ8jgGtD7zP9yug3goQfGII0yAns&quot; crossorigin=&quot;anonymous&quot;&gt;&lt;/script&gt;\n",
" \n",
" &lt;!-- Custom header --&gt;\n",
" \n",
"\n",
"\n",
"\n",
"\n",
" &lt;/head&gt;\n",
" &lt;body class=&quot;m2g-inside-iframe&quot;&gt;\n",
"\n",
"\n",
"\n",
" &lt;div id=&quot;mols2grid&quot; class=&quot;grid-default&quot;&gt;\n",
" &lt;!-- Pagination &amp; search --&gt;\n",
" &lt;div class=&quot;m2g-functions&quot;&gt;\n",
" \n",
" &lt;div class=&quot;m2g-row&quot;&gt;\n",
" &lt;!-- Pagination --&gt;\n",
" &lt;ul class=&quot;m2g-pagination&quot; class=&quot;d-flex&quot;&gt;&lt;/ul&gt;\n",
" &lt;div class=&quot;m2g-gap&quot;&gt;&lt;/div&gt;\n",
"\n",
" &lt;!-- Sort dropdown --&gt;\n",
" &lt;div class=&quot;m2g-dropdown m2g-sort&quot;&gt;\n",
" &lt;select&gt;\n",
" \n",
" \n",
" \n",
" \n",
" \n",
" &lt;option value=&quot;mols2grid-id&quot; selected&gt;Index&lt;/option&gt;\n",
" \n",
" \n",
" \n",
" \n",
" \n",
" &lt;option value=&quot;data-BindingDB_Reactant_set_id&quot;&gt;BindingDB_Reactant_set_id&lt;/option&gt;\n",
" \n",
" \n",
" \n",
" \n",
" \n",
" &lt;option value=&quot;data-Ligand_SMILES&quot;&gt;Ligand_SMILES&lt;/option&gt;\n",
" \n",
" \n",
" \n",
" \n",
" \n",
" &lt;option value=&quot;data-Ligand_InChI_Key&quot;&gt;Ligand_InChI_Key&lt;/option&gt;\n",
" \n",
" \n",
" \n",
" \n",
" \n",
" &lt;option value=&quot;data-inchi_base&quot;&gt;inchi_base&lt;/option&gt;\n",
" \n",
" \n",
" \n",
" &lt;option value=&quot;checkbox&quot;&gt;Selected&lt;/option&gt;\n",
" \n",
" &lt;/select&gt;\n",
" &lt;div class=&quot;m2g-order&quot;&gt;&lt;/div&gt;\n",
" &lt;div class=&quot;m2g-display&quot;&gt;\n",
" Index\n",
" &lt;/div&gt;\n",
" &lt;/div&gt;\n",
" &lt;/div&gt;\n",
" &lt;div class=&quot;m2g-row&quot;&gt;\n",
" &lt;!-- Search bar --&gt;\n",
" &lt;div class=&quot;m2g-search-wrap&quot;&gt;\n",
" &lt;input\n",
" type=&quot;text&quot;\n",
" class=&quot;m2g-searchbar form-control&quot;\n",
" placeholder=&quot;Search&quot;\n",
" aria-label=&quot;Search&quot;\n",
" aria-describedby=&quot;basic-addon1&quot;\n",
" /&gt;\n",
" &lt;div class=&quot;m2g-search-options&quot;&gt;\n",
" &lt;div class=&quot;m2g-option m2g-search-text sel&quot;&gt;Text&lt;/div&gt;\n",
" &lt;div class=&quot;m2g-option m2g-search-smarts&quot;&gt;SMARTS&lt;/div&gt;\n",
" &lt;/div&gt;\n",
" &lt;/div&gt;\n",
"\n",
" &lt;!-- Action dropdown --&gt;\n",
" &lt;div class=&quot;m2g-dropdown m2g-actions&quot;&gt;\n",
" &lt;select&gt;\n",
" &lt;option hidden&gt;-&lt;/option&gt;\n",
" &lt;option value=&quot;select-all&quot;&gt;Select all&lt;/option&gt;\n",
" &lt;option value=&quot;select-matching&quot;&gt;Select matching&lt;/option&gt;\n",
" &lt;option value=&quot;unselect-all&quot;&gt;Unselect all&lt;/option&gt;\n",
" &lt;option value=&quot;invert&quot;&gt;Invert&lt;/option&gt;\n",
" &lt;option value=&quot;copy&quot;&gt;Copy to clipboard&lt;/option&gt;\n",
" &lt;option value=&quot;save-smiles&quot;&gt;Save SMILES&lt;/option&gt;\n",
" &lt;option value=&quot;save-csv&quot;&gt;Save CSV&lt;/option&gt;\n",
" &lt;/select&gt;\n",
" &lt;div class=&quot;m2g-icon&quot;&gt;\n",
" &lt;svg width=&quot;20&quot; height=&quot;20&quot; viewBox=&quot;0 0 20 20&quot; xmlns=&quot;http://www.w3.org/2000/svg&quot;&gt;\n",
" &lt;path d=&quot;M11.5 4C11.5 4.82843 10.8284 5.5 10 5.5C9.17157 5.5 8.5 4.82843 8.5 4C8.5 3.17157 9.17157 2.5 10 2.5C10.8284 2.5 11.5 3.17157 11.5 4ZM11.5 10C11.5 10.8284 10.8284 11.5 10 11.5C9.17157 11.5 8.5 10.8284 8.5 10C8.5 9.17157 9.17157 8.5 10 8.5C10.8284 8.5 11.5 9.17157 11.5 10ZM10 17.5C10.8284 17.5 11.5 16.8284 11.5 16C11.5 15.1716 10.8284 14.5 10 14.5C9.17157 14.5 8.5 15.1716 8.5 16C8.5 16.8284 9.17157 17.5 10 17.5Z&quot;/&gt;\n",
" &lt;/svg&gt;\n",
" &lt;/div&gt;\n",
" &lt;/div&gt;\n",
" &lt;/div&gt;\n",
" &lt;/div&gt;\n",
"\n",
" &lt;!-- Grid --&gt;\n",
" \n",
" &lt;div class=&quot;m2g-list&quot;&gt;&lt;div class=&quot;m2g-cell&quot; data-mols2grid-id=&quot;0&quot; tabindex=&quot;0&quot;&gt;&lt;div class=&quot;m2g-cb-wrap&quot;&gt;&lt;input type=&quot;checkbox&quot; tabindex=&quot;-1&quot; class=&quot;position-relative float-left cached_checkbox&quot;&gt;&lt;div class=&quot;m2g-cb&quot;&gt;&lt;/div&gt;&lt;div class=&quot;data-mols2grid-id-display&quot;&gt;&lt;/div&gt;&lt;/div&gt;&lt;div class=&quot;m2g-cell-actions&quot;&gt;&lt;div class=&quot;m2g-info&quot;&gt;i&lt;/div&gt;&lt;/div&gt;&lt;a class=&quot;data data-img&quot;&gt;&lt;/a&gt;&lt;div class=&quot;data data-BindingDB_Reactant_set_id&quot; style=&quot;display: none;&quot;&gt;&lt;/div&gt;&lt;div class=&quot;data data-Ligand_SMILES&quot; style=&quot;display: none;&quot;&gt;&lt;/div&gt;&lt;div class=&quot;data data-Ligand_InChI_Key&quot; style=&quot;display: none;&quot;&gt;&lt;/div&gt;&lt;div class=&quot;data data-inchi_base&quot; style=&quot;display: none;&quot;&gt;&lt;/div&gt;&lt;div class=&quot;m2g-tooltip&quot; data-toggle=&quot;popover&quot; data-content=&quot;.&quot;&gt;&lt;/div&gt;&lt;/div&gt;&lt;/div&gt;\n",
" &lt;/div&gt;\n",
" &lt;script&gt;\n",
" // list.js\n",
"var listObj = new List(&#x27;mols2grid&#x27;, {\n",
" listClass: &#x27;m2g-list&#x27;,\n",
" valueNames: [{data: [&#x27;mols2grid-id&#x27;]}, &#x27;data-Ligand_SMILES&#x27;, &#x27;data-BindingDB_Reactant_set_id&#x27;, &#x27;data-inchi_base&#x27;, &#x27;data-mols2grid-id&#x27;, &#x27;data-Ligand_InChI_Key&#x27;, &#x27;data-img&#x27;, &#x27;data-mols2grid-id-display&#x27;, {attr: &#x27;data-content&#x27;, name: &#x27;m2g-tooltip&#x27;}],\n",
" item: &#x27;&lt;div class=&quot;m2g-cell&quot; data-mols2grid-id=&quot;0&quot; tabindex=&quot;0&quot;&gt;&lt;div class=&quot;m2g-cb-wrap&quot;&gt;&lt;input type=&quot;checkbox&quot; tabindex=&quot;-1&quot; class=&quot;position-relative float-left cached_checkbox&quot;&gt;&lt;div class=&quot;m2g-cb&quot;&gt;&lt;/div&gt;&lt;div class=&quot;data-mols2grid-id-display&quot;&gt;&lt;/div&gt;&lt;/div&gt;&lt;div class=&quot;m2g-cell-actions&quot;&gt;&lt;div class=&quot;m2g-info&quot;&gt;i&lt;/div&gt;&lt;/div&gt;&lt;a class=&quot;data data-img&quot;&gt;&lt;/a&gt;&lt;div class=&quot;data data-BindingDB_Reactant_set_id&quot; style=&quot;display: none;&quot;&gt;&lt;/div&gt;&lt;div class=&quot;data data-Ligand_SMILES&quot; style=&quot;display: none;&quot;&gt;&lt;/div&gt;&lt;div class=&quot;data data-Ligand_InChI_Key&quot; style=&quot;display: none;&quot;&gt;&lt;/div&gt;&lt;div class=&quot;data data-inchi_base&quot; style=&quot;display: none;&quot;&gt;&lt;/div&gt;&lt;div class=&quot;m2g-tooltip&quot; data-toggle=&quot;popover&quot; data-content=&quot;.&quot;&gt;&lt;/div&gt;&lt;/div&gt;&#x27;,\n",
" page: 24,\n",
" pagination: {\n",
" paginationClass: &quot;m2g-pagination&quot;,\n",
" item: &#x27;&lt;li class=&quot;page-item&quot;&gt;&lt;a class=&quot;page page-link&quot; href=&quot;#&quot; onclick=&quot;event.preventDefault()&quot;&gt;&lt;/a&gt;&lt;/li&gt;&#x27;,\n",
" innerWindow: 1,\n",
" outerWindow: 1,\n",
" },\n",
"});\n",
"listObj.remove(&quot;mols2grid-id&quot;, &quot;0&quot;);\n",
"listObj.add([{&quot;data-Ligand_SMILES&quot;: &quot;CCCCCCCCCCCCOS(=O)(=O)NC(=O)Nc1c(cccc1C(C)C)C(C)C&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50779882, &quot;data-inchi_base&quot;: &quot;AACIOBUVHVAPJZ-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 0, &quot;data-Ligand_InChI_Key&quot;: &quot;AACIOBUVHVAPJZ-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 0, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50779882&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCCCCCCCCCCOS(=O)(=O)NC(=O)Nc1c(cccc1C(C)C)C(C)C&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AACIOBUVHVAPJZ-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AACIOBUVHVAPJZ-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCCCCCCCCCCCOS(=O)(=O)[N-]C(=O)Nc1c(cccc1C(C)C)C(C)C&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50779834, &quot;data-inchi_base&quot;: &quot;AACIOBUVHVAPJZ-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 1, &quot;data-Ligand_InChI_Key&quot;: &quot;AACIOBUVHVAPJZ-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 1, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50779834&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCCCCCCCCCCOS(=O)(=O)[N-]C(=O)Nc1c(cccc1C(C)C)C(C)C&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AACIOBUVHVAPJZ-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AACIOBUVHVAPJZ-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Nc1ncnc2n([C@@H]3O[C@@H]4COP(O)(=O)O[C@H]4[C@H]3O)c(Sc3ccc(Cl)cc3)nc12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50572605, &quot;data-inchi_base&quot;: &quot;AAZMHPMNAVEBRE-SDBHATRESA&quot;, &quot;mols2grid-id&quot;: 2, &quot;data-Ligand_InChI_Key&quot;: &quot;AAZMHPMNAVEBRE-SDBHATRESA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 2, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50572605&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Nc1ncnc2n([C@@H]3O[C@@H]4COP(O)(=O)O[C@H]4[C@H]3O)c(Sc3ccc(Cl)cc3)nc12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AAZMHPMNAVEBRE-SDBHATRESA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AAZMHPMNAVEBRE-SDBHATRESA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Nc1ncnc2n([C@@H]3O[C@@H]4COP([O-])(=O)O[C@H]4[C@H]3O)c(Sc3ccc(Cl)cc3)nc12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 153368, &quot;data-inchi_base&quot;: &quot;AAZMHPMNAVEBRE-SDBHATRESA&quot;, &quot;mols2grid-id&quot;: 3, &quot;data-Ligand_InChI_Key&quot;: &quot;AAZMHPMNAVEBRE-SDBHATRESA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 3, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;153368&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Nc1ncnc2n([C@@H]3O[C@@H]4COP([O-])(=O)O[C@H]4[C@H]3O)c(Sc3ccc(Cl)cc3)nc12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AAZMHPMNAVEBRE-SDBHATRESA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AAZMHPMNAVEBRE-SDBHATRESA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC#CC(CC(O)=O)c1ccc(OCc2cccc(c2)C2=CCC(O)CC2)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 786740, &quot;data-inchi_base&quot;: &quot;AAZOJORPZJMOIL-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 4, &quot;data-Ligand_InChI_Key&quot;: &quot;AAZOJORPZJMOIL-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 4, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;786740&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC#CC(CC(O)=O)c1ccc(OCc2cccc(c2)C2=CCC(O)CC2)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AAZOJORPZJMOIL-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AAZOJORPZJMOIL-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC#CC(CC([O-])=O)c1ccc(OCc2cccc(c2)C2=CCC(O)CC2)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 786741, &quot;data-inchi_base&quot;: &quot;AAZOJORPZJMOIL-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 5, &quot;data-Ligand_InChI_Key&quot;: &quot;AAZOJORPZJMOIL-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 5, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;786741&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC#CC(CC([O-])=O)c1ccc(OCc2cccc(c2)C2=CCC(O)CC2)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AAZOJORPZJMOIL-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AAZOJORPZJMOIL-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[Zn++].NS(=O)(=O)c1nnc(NC(=O)CN(CCN(CCN(CC([O-])=O)CC(=O)Nc2nnc(s2)S(N)(=O)=O)CC([O-])=O)CC(O)=O)s1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50112918, &quot;data-inchi_base&quot;: &quot;ABKUNMXQTDTBPW-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 6, &quot;data-Ligand_InChI_Key&quot;: &quot;ABKUNMXQTDTBPW-UHFFFAOYSA-L&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 6, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50112918&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[Zn++].NS(=O)(=O)c1nnc(NC(=O)CN(CCN(CCN(CC([O-])=O)CC(=O)Nc2nnc(s2)S(N)(=O)=O)CC([O-])=O)CC(O)=O)s1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ABKUNMXQTDTBPW-UHFFFAOYSA-L&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ABKUNMXQTDTBPW-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;NS(=O)(=O)c1nnc(NC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)Nc2nnc(s2)S(N)(=O)=O)CC(O)=O)CC(O)=O)s1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50734677, &quot;data-inchi_base&quot;: &quot;ABKUNMXQTDTBPW-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 7, &quot;data-Ligand_InChI_Key&quot;: &quot;ABKUNMXQTDTBPW-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 7, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50734677&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NS(=O)(=O)c1nnc(NC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)Nc2nnc(s2)S(N)(=O)=O)CC(O)=O)CC(O)=O)s1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ABKUNMXQTDTBPW-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ABKUNMXQTDTBPW-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCCC[P+](CCCC)(CCCC)Cc1ccc(NC(=O)[C@H](CC(C)C)N\\\\C(NC2CCCCC2)=[NH+]\\\\C2CCCCC2)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50764990, &quot;data-inchi_base&quot;: &quot;ACSOUKQYPFMWHH-BHVANESWSA&quot;, &quot;mols2grid-id&quot;: 8, &quot;data-Ligand_InChI_Key&quot;: &quot;ACSOUKQYPFMWHH-BHVANESWSA-P&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 8, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50764990&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCC[P+](CCCC)(CCCC)Cc1ccc(NC(=O)[C@H](CC(C)C)N\\\\C(NC2CCCCC2)=[NH+]\\\\C2CCCCC2)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ACSOUKQYPFMWHH-BHVANESWSA-P&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ACSOUKQYPFMWHH-BHVANESWSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCCC[P+](CCCC)(CCCC)Cc1ccc(NC(=O)[C@H](CC(C)C)N=C(NC2CCCCC2)NC2CCCCC2)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50724999, &quot;data-inchi_base&quot;: &quot;ACSOUKQYPFMWHH-BHVANESWSA&quot;, &quot;mols2grid-id&quot;: 9, &quot;data-Ligand_InChI_Key&quot;: &quot;ACSOUKQYPFMWHH-BHVANESWSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 9, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50724999&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCC[P+](CCCC)(CCCC)Cc1ccc(NC(=O)[C@H](CC(C)C)N=C(NC2CCCCC2)NC2CCCCC2)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ACSOUKQYPFMWHH-BHVANESWSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ACSOUKQYPFMWHH-BHVANESWSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1ccc(cc1)-c1ccc(=N)n(CCCC(O)=O)n1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50337947, &quot;data-inchi_base&quot;: &quot;ACVGNKYJVGNLIL-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 10, &quot;data-Ligand_InChI_Key&quot;: &quot;ACVGNKYJVGNLIL-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 10, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50337947&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1ccc(cc1)-c1ccc(=N)n(CCCC(O)=O)n1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ACVGNKYJVGNLIL-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ACVGNKYJVGNLIL-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1ccc(cc1)-c1ccc(=[NH2+])n(CCCC(O)=O)n1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 175185, &quot;data-inchi_base&quot;: &quot;ACVGNKYJVGNLIL-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 11, &quot;data-Ligand_InChI_Key&quot;: &quot;ACVGNKYJVGNLIL-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 11, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;175185&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1ccc(cc1)-c1ccc(=[NH2+])n(CCCC(O)=O)n1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ACVGNKYJVGNLIL-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ACVGNKYJVGNLIL-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)C(F)(F)c1ccc2ccccc2c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50185048, &quot;data-inchi_base&quot;: &quot;ADBYFIBVXQSEJM-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 12, &quot;data-Ligand_InChI_Key&quot;: &quot;ADBYFIBVXQSEJM-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 12, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50185048&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)C(F)(F)c1ccc2ccccc2c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ADBYFIBVXQSEJM-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ADBYFIBVXQSEJM-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[O-]C(=O)C(F)(F)c1ccc2ccccc2c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50125539, &quot;data-inchi_base&quot;: &quot;ADBYFIBVXQSEJM-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 13, &quot;data-Ligand_InChI_Key&quot;: &quot;ADBYFIBVXQSEJM-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 13, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50125539&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[O-]C(=O)C(F)(F)c1ccc2ccccc2c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ADBYFIBVXQSEJM-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ADBYFIBVXQSEJM-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[O-]C(=O)c1ccc(cc1)C#N&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50630294, &quot;data-inchi_base&quot;: &quot;ADCUEPOHPCPMCE-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 14, &quot;data-Ligand_InChI_Key&quot;: &quot;ADCUEPOHPCPMCE-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 14, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50630294&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[O-]C(=O)c1ccc(cc1)C#N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ADCUEPOHPCPMCE-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ADCUEPOHPCPMCE-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)c1ccc(cc1)C#N&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 417579, &quot;data-inchi_base&quot;: &quot;ADCUEPOHPCPMCE-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 15, &quot;data-Ligand_InChI_Key&quot;: &quot;ADCUEPOHPCPMCE-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 15, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;417579&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)c1ccc(cc1)C#N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ADCUEPOHPCPMCE-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ADCUEPOHPCPMCE-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[NH3+][C@H]1C[C@@H]1c1ccccc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50820716, &quot;data-inchi_base&quot;: &quot;AELCINSCMGFISI-BDAKNGLRSA&quot;, &quot;mols2grid-id&quot;: 16, &quot;data-Ligand_InChI_Key&quot;: &quot;AELCINSCMGFISI-BDAKNGLRSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 16, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50820716&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[NH3+][C@H]1C[C@@H]1c1ccccc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AELCINSCMGFISI-BDAKNGLRSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AELCINSCMGFISI-BDAKNGLRSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;N[C@H]1C[C@@H]1c1ccccc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 154095, &quot;data-inchi_base&quot;: &quot;AELCINSCMGFISI-BDAKNGLRSA&quot;, &quot;mols2grid-id&quot;: 17, &quot;data-Ligand_InChI_Key&quot;: &quot;AELCINSCMGFISI-BDAKNGLRSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 17, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;154095&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;N[C@H]1C[C@@H]1c1ccccc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AELCINSCMGFISI-BDAKNGLRSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AELCINSCMGFISI-BDAKNGLRSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(C)=O)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 868574, &quot;data-inchi_base&quot;: &quot;AEYIBAPLFDNVGD-JMMIECQRSA&quot;, &quot;mols2grid-id&quot;: 18, &quot;data-Ligand_InChI_Key&quot;: &quot;AEYIBAPLFDNVGD-JMMIECQRSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 18, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;868574&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(C)=O)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AEYIBAPLFDNVGD-JMMIECQRSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AEYIBAPLFDNVGD-JMMIECQRSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(C)=O)C(C)C)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 1073922, &quot;data-inchi_base&quot;: &quot;AEYIBAPLFDNVGD-JMMIECQRSA&quot;, &quot;mols2grid-id&quot;: 19, &quot;data-Ligand_InChI_Key&quot;: &quot;AEYIBAPLFDNVGD-JMMIECQRSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 19, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;1073922&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(C)=O)C(C)C)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AEYIBAPLFDNVGD-JMMIECQRSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AEYIBAPLFDNVGD-JMMIECQRSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Nc1ccc(cc1)C(=C1C=CC(=[NH2+])C=C1)c1ccc(N)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 377238, &quot;data-inchi_base&quot;: &quot;AFAIELJLZYUNPW-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 20, &quot;data-Ligand_InChI_Key&quot;: &quot;AFAIELJLZYUNPW-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 20, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;377238&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Nc1ccc(cc1)C(=C1C=CC(=[NH2+])C=C1)c1ccc(N)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AFAIELJLZYUNPW-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AFAIELJLZYUNPW-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Nc1ccc(cc1)C(=C1C=CC(=N)C=C1)c1ccc(N)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 203868, &quot;data-inchi_base&quot;: &quot;AFAIELJLZYUNPW-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 21, &quot;data-Ligand_InChI_Key&quot;: &quot;AFAIELJLZYUNPW-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 21, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;203868&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Nc1ccc(cc1)C(=C1C=CC(=N)C=C1)c1ccc(N)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AFAIELJLZYUNPW-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AFAIELJLZYUNPW-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Oc1ccc(\\\\C=C(/C#N)C([O-])=O)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51082076, &quot;data-inchi_base&quot;: &quot;AFVLVVWMAFSXCK-VMPITWQZSA&quot;, &quot;mols2grid-id&quot;: 22, &quot;data-Ligand_InChI_Key&quot;: &quot;AFVLVVWMAFSXCK-VMPITWQZSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 22, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51082076&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Oc1ccc(\\\\C=C(/C#N)C([O-])=O)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AFVLVVWMAFSXCK-VMPITWQZSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AFVLVVWMAFSXCK-VMPITWQZSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)C(=C\\\\c1ccc(O)cc1)\\\\C#N&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 6537, &quot;data-inchi_base&quot;: &quot;AFVLVVWMAFSXCK-VMPITWQZSA&quot;, &quot;mols2grid-id&quot;: 23, &quot;data-Ligand_InChI_Key&quot;: &quot;AFVLVVWMAFSXCK-VMPITWQZSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 23, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;6537&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)C(=C\\\\c1ccc(O)cc1)\\\\C#N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AFVLVVWMAFSXCK-VMPITWQZSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AFVLVVWMAFSXCK-VMPITWQZSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@]3(C)C[C@H]2C(=O)Nc2nc(Br)ccc2C)c2cnc(cc12)-c1cnc(C)nc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 1072334, &quot;data-inchi_base&quot;: &quot;AGKIXYNCQISUOU-PGKWVRKKSA&quot;, &quot;mols2grid-id&quot;: 24, &quot;data-Ligand_InChI_Key&quot;: &quot;AGKIXYNCQISUOU-PGKWVRKKSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 24, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;1072334&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@]3(C)C[C@H]2C(=O)Nc2nc(Br)ccc2C)c2cnc(cc12)-c1cnc(C)nc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AGKIXYNCQISUOU-PGKWVRKKSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AGKIXYNCQISUOU-PGKWVRKKSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@]3(C)C[C@H]2C(=O)Nc2nc(Br)ccc2C)c2cnc(cc12)-c1cnc(C)[nH+]c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 1072507, &quot;data-inchi_base&quot;: &quot;AGKIXYNCQISUOU-PGKWVRKKSA&quot;, &quot;mols2grid-id&quot;: 25, &quot;data-Ligand_InChI_Key&quot;: &quot;AGKIXYNCQISUOU-PGKWVRKKSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 25, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;1072507&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@]3(C)C[C@H]2C(=O)Nc2nc(Br)ccc2C)c2cnc(cc12)-c1cnc(C)[nH+]c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AGKIXYNCQISUOU-PGKWVRKKSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AGKIXYNCQISUOU-PGKWVRKKSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)c1ccc(cc1O)N(Cc1ccc(cc1)C1CCCCC1)C(=O)[C@H]1CCN1S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 1160521, &quot;data-inchi_base&quot;: &quot;AJNPQBGORGGVKZ-OAQYLSRUSA&quot;, &quot;mols2grid-id&quot;: 26, &quot;data-Ligand_InChI_Key&quot;: &quot;AJNPQBGORGGVKZ-OAQYLSRUSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 26, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;1160521&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)c1ccc(cc1O)N(Cc1ccc(cc1)C1CCCCC1)C(=O)[C@H]1CCN1S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AJNPQBGORGGVKZ-OAQYLSRUSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AJNPQBGORGGVKZ-OAQYLSRUSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Oc1cc(ccc1C([O-])=O)N(Cc1ccc(cc1)C1CCCCC1)C(=O)[C@H]1CCN1S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 1160523, &quot;data-inchi_base&quot;: &quot;AJNPQBGORGGVKZ-OAQYLSRUSA&quot;, &quot;mols2grid-id&quot;: 27, &quot;data-Ligand_InChI_Key&quot;: &quot;AJNPQBGORGGVKZ-OAQYLSRUSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 27, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;1160523&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Oc1cc(ccc1C([O-])=O)N(Cc1ccc(cc1)C1CCCCC1)C(=O)[C@H]1CCN1S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AJNPQBGORGGVKZ-OAQYLSRUSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AJNPQBGORGGVKZ-OAQYLSRUSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Cc1cccc(Cc2ccc[n+](CC(O)(P(O)(O)=O)P(O)(O)=O)c2)c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50833351, &quot;data-inchi_base&quot;: &quot;AJQUNJBCHWSKMF-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 28, &quot;data-Ligand_InChI_Key&quot;: &quot;AJQUNJBCHWSKMF-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 28, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50833351&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cc1cccc(Cc2ccc[n+](CC(O)(P(O)(O)=O)P(O)(O)=O)c2)c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AJQUNJBCHWSKMF-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AJQUNJBCHWSKMF-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Cc1cccc(Cc2ccc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c2)c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50831989, &quot;data-inchi_base&quot;: &quot;AJQUNJBCHWSKMF-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 29, &quot;data-Ligand_InChI_Key&quot;: &quot;AJQUNJBCHWSKMF-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 29, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50831989&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cc1cccc(Cc2ccc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c2)c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AJQUNJBCHWSKMF-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AJQUNJBCHWSKMF-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)Cc1cccc(c1)C(=O)c1ccccc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50510735, &quot;data-inchi_base&quot;: &quot;ALDSXDRDRWDASQ-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 30, &quot;data-Ligand_InChI_Key&quot;: &quot;ALDSXDRDRWDASQ-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 30, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50510735&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)Cc1cccc(c1)C(=O)c1ccccc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ALDSXDRDRWDASQ-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ALDSXDRDRWDASQ-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[Na+].[O-]C(=O)Cc1cccc(c1)C(=O)c1ccccc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50602037, &quot;data-inchi_base&quot;: &quot;ALDSXDRDRWDASQ-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 31, &quot;data-Ligand_InChI_Key&quot;: &quot;ALDSXDRDRWDASQ-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 31, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50602037&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[Na+].[O-]C(=O)Cc1cccc(c1)C(=O)c1ccccc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ALDSXDRDRWDASQ-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ALDSXDRDRWDASQ-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Nc1ccc(cc1)C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50630292, &quot;data-inchi_base&quot;: &quot;ALYNCZNDIQEVRV-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 32, &quot;data-Ligand_InChI_Key&quot;: &quot;ALYNCZNDIQEVRV-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 32, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50630292&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Nc1ccc(cc1)C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ALYNCZNDIQEVRV-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ALYNCZNDIQEVRV-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Nc1ccc(cc1)C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50123024, &quot;data-inchi_base&quot;: &quot;ALYNCZNDIQEVRV-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 33, &quot;data-Ligand_InChI_Key&quot;: &quot;ALYNCZNDIQEVRV-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 33, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50123024&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Nc1ccc(cc1)C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ALYNCZNDIQEVRV-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ALYNCZNDIQEVRV-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[C@@H]1C2C3Cc4ccc(O)c5O[C@@H](c6[nH]c7ccccc7c16)C2(CCN3CC1CC1)c45&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50585754, &quot;data-inchi_base&quot;: &quot;AMBKCWJWRSLIIL-YUZLPWPTSA&quot;, &quot;mols2grid-id&quot;: 34, &quot;data-Ligand_InChI_Key&quot;: &quot;AMBKCWJWRSLIIL-YUZLPWPTSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 34, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50585754&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[C@@H]1C2C3Cc4ccc(O)c5O[C@@H](c6[nH]c7ccccc7c16)C2(CCN3CC1CC1)c45&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AMBKCWJWRSLIIL-YUZLPWPTSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AMBKCWJWRSLIIL-YUZLPWPTSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Cc1cn(C)[n+](Cl)c1S(=O)(=O)N[C@@H](CNC(=O)C1=NOC(CCCCN=C(N)N)C1)C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50133445, &quot;data-inchi_base&quot;: &quot;AMBKCWJWRSLIIL-YUZLPWPTSA&quot;, &quot;mols2grid-id&quot;: 35, &quot;data-Ligand_InChI_Key&quot;: &quot;AMBKCWJWRSLIIL-YUZLPWPTSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 35, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50133445&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cc1cn(C)[n+](Cl)c1S(=O)(=O)N[C@@H](CNC(=O)C1=NOC(CCCCN=C(N)N)C1)C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AMBKCWJWRSLIIL-YUZLPWPTSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AMBKCWJWRSLIIL-YUZLPWPTSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[O-]C(=O)C(=O)CC(=O)c1ccc2C(CCC(N=[N+]=[N-])c2c1)N=[N+]=[N-]&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50742281, &quot;data-inchi_base&quot;: &quot;ANELOJBUGMHPPW-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 36, &quot;data-Ligand_InChI_Key&quot;: &quot;ANELOJBUGMHPPW-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 36, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50742281&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[O-]C(=O)C(=O)CC(=O)c1ccc2C(CCC(N=[N+]=[N-])c2c1)N=[N+]=[N-]&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ANELOJBUGMHPPW-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ANELOJBUGMHPPW-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)C(=O)CC(=O)c1ccc2C(CCC(N=[N+]=[N-])c2c1)N=[N+]=[N-]&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50024280, &quot;data-inchi_base&quot;: &quot;ANELOJBUGMHPPW-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 37, &quot;data-Ligand_InChI_Key&quot;: &quot;ANELOJBUGMHPPW-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 37, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50024280&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)C(=O)CC(=O)c1ccc2C(CCC(N=[N+]=[N-])c2c1)N=[N+]=[N-]&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ANELOJBUGMHPPW-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ANELOJBUGMHPPW-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1cc(C[NH2+]c2ccc(SC)cc2)cc(OC)c1OC&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50073258, &quot;data-inchi_base&quot;: &quot;ANLBBCQAUDTUDK-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 38, &quot;data-Ligand_InChI_Key&quot;: &quot;ANLBBCQAUDTUDK-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 38, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50073258&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1cc(C[NH2+]c2ccc(SC)cc2)cc(OC)c1OC&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ANLBBCQAUDTUDK-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ANLBBCQAUDTUDK-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1cc(CNc2ccc(SC)cc2)cc(OC)c1OC&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50073261, &quot;data-inchi_base&quot;: &quot;ANLBBCQAUDTUDK-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 39, &quot;data-Ligand_InChI_Key&quot;: &quot;ANLBBCQAUDTUDK-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 39, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50073261&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1cc(CNc2ccc(SC)cc2)cc(OC)c1OC&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ANLBBCQAUDTUDK-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ANLBBCQAUDTUDK-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCC(=O)c1sc(nc1[O-])-c1cccc(F)c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 1060720, &quot;data-inchi_base&quot;: &quot;ANUOYWLYYBOAMH-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 40, &quot;data-Ligand_InChI_Key&quot;: &quot;ANUOYWLYYBOAMH-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 40, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;1060720&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCC(=O)c1sc(nc1[O-])-c1cccc(F)c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ANUOYWLYYBOAMH-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ANUOYWLYYBOAMH-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCC(=O)c1sc(nc1O)-c1cccc(F)c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 1060723, &quot;data-inchi_base&quot;: &quot;ANUOYWLYYBOAMH-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 41, &quot;data-Ligand_InChI_Key&quot;: &quot;ANUOYWLYYBOAMH-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 41, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;1060723&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCC(=O)c1sc(nc1O)-c1cccc(F)c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ANUOYWLYYBOAMH-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ANUOYWLYYBOAMH-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[n+]1cn([C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51525474, &quot;data-inchi_base&quot;: &quot;AOKQNZVJJXPUQA-KQYNXXCUSA&quot;, &quot;mols2grid-id&quot;: 42, &quot;data-Ligand_InChI_Key&quot;: &quot;AOKQNZVJJXPUQA-KQYNXXCUSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 42, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51525474&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[n+]1cn([C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AOKQNZVJJXPUQA-KQYNXXCUSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AOKQNZVJJXPUQA-KQYNXXCUSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[n+]1cn([C@@H]2O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50572174, &quot;data-inchi_base&quot;: &quot;AOKQNZVJJXPUQA-KQYNXXCUSA&quot;, &quot;mols2grid-id&quot;: 43, &quot;data-Ligand_InChI_Key&quot;: &quot;AOKQNZVJJXPUQA-KQYNXXCUSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 43, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50572174&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[n+]1cn([C@@H]2O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AOKQNZVJJXPUQA-KQYNXXCUSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AOKQNZVJJXPUQA-KQYNXXCUSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;NCCc1c[nH]c2ccccc12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 155333, &quot;data-inchi_base&quot;: &quot;APJYDQYYACXCRM-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 44, &quot;data-Ligand_InChI_Key&quot;: &quot;APJYDQYYACXCRM-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 44, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;155333&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NCCc1c[nH]c2ccccc12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;APJYDQYYACXCRM-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;APJYDQYYACXCRM-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[NH3+]CCc1c[nH]c2ccccc12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 201114, &quot;data-inchi_base&quot;: &quot;APJYDQYYACXCRM-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 45, &quot;data-Ligand_InChI_Key&quot;: &quot;APJYDQYYACXCRM-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 45, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;201114&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[NH3+]CCc1c[nH]c2ccccc12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;APJYDQYYACXCRM-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;APJYDQYYACXCRM-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Nc1cc(cc2cc(cc(O)c12)S(O)(=O)=O)S(O)(=O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50843664, &quot;data-inchi_base&quot;: &quot;APRRQJCCBSJQOQ-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 46, &quot;data-Ligand_InChI_Key&quot;: &quot;APRRQJCCBSJQOQ-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 46, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50843664&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Nc1cc(cc2cc(cc(O)c12)S(O)(=O)=O)S(O)(=O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;APRRQJCCBSJQOQ-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;APRRQJCCBSJQOQ-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Nc1cc(cc2cc(cc(O)c12)S([O-])(=O)=O)S(O)(=O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50058208, &quot;data-inchi_base&quot;: &quot;APRRQJCCBSJQOQ-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 47, &quot;data-Ligand_InChI_Key&quot;: &quot;APRRQJCCBSJQOQ-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 47, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50058208&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Nc1cc(cc2cc(cc(O)c12)S([O-])(=O)=O)S(O)(=O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;APRRQJCCBSJQOQ-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;APRRQJCCBSJQOQ-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(C)[NH2+]C[C@@H](O)COc1cccc2ccccc12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50620691, &quot;data-inchi_base&quot;: &quot;AQHHHDLHHXJYJD-CQSZACIVSA&quot;, &quot;mols2grid-id&quot;: 48, &quot;data-Ligand_InChI_Key&quot;: &quot;AQHHHDLHHXJYJD-CQSZACIVSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 48, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50620691&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(C)[NH2+]C[C@@H](O)COc1cccc2ccccc12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AQHHHDLHHXJYJD-CQSZACIVSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AQHHHDLHHXJYJD-CQSZACIVSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(C)NC[C@@H](O)COc1cccc2ccccc12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50609269, &quot;data-inchi_base&quot;: &quot;AQHHHDLHHXJYJD-CQSZACIVSA&quot;, &quot;mols2grid-id&quot;: 49, &quot;data-Ligand_InChI_Key&quot;: &quot;AQHHHDLHHXJYJD-CQSZACIVSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 49, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50609269&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(C)NC[C@@H](O)COc1cccc2ccccc12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AQHHHDLHHXJYJD-CQSZACIVSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AQHHHDLHHXJYJD-CQSZACIVSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OP(O)(=O)C(F)(F)CCCC(F)(F)P(O)(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50573495, &quot;data-inchi_base&quot;: &quot;AQMVVTKQIOROLQ-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 50, &quot;data-Ligand_InChI_Key&quot;: &quot;AQMVVTKQIOROLQ-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 50, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50573495&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OP(O)(=O)C(F)(F)CCCC(F)(F)P(O)(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AQMVVTKQIOROLQ-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AQMVVTKQIOROLQ-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[O-]P([O-])(=O)C(F)(F)CCCC(F)(F)P([O-])([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50787527, &quot;data-inchi_base&quot;: &quot;AQMVVTKQIOROLQ-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 51, &quot;data-Ligand_InChI_Key&quot;: &quot;AQMVVTKQIOROLQ-UHFFFAOYSA-J&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 51, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50787527&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[O-]P([O-])(=O)C(F)(F)CCCC(F)(F)P([O-])([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AQMVVTKQIOROLQ-UHFFFAOYSA-J&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AQMVVTKQIOROLQ-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Nc1ccn([C@H]2CC[C@@H](COP([O-])(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)n1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50315092, &quot;data-inchi_base&quot;: &quot;ARLKCWCREKRROD-POYBYMJQSA&quot;, &quot;mols2grid-id&quot;: 52, &quot;data-Ligand_InChI_Key&quot;: &quot;ARLKCWCREKRROD-POYBYMJQSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 52, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50315092&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Nc1ccn([C@H]2CC[C@@H](COP([O-])(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)n1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ARLKCWCREKRROD-POYBYMJQSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ARLKCWCREKRROD-POYBYMJQSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Nc1ccn([C@H]2CC[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)n1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51176618, &quot;data-inchi_base&quot;: &quot;ARLKCWCREKRROD-POYBYMJQSA&quot;, &quot;mols2grid-id&quot;: 53, &quot;data-Ligand_InChI_Key&quot;: &quot;ARLKCWCREKRROD-POYBYMJQSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 53, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51176618&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Nc1ccn([C@H]2CC[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)n1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ARLKCWCREKRROD-POYBYMJQSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ARLKCWCREKRROD-POYBYMJQSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[C@H]1Oc2cc(cnc2N)-c2c(C)nn(C)c2CN(C)C(=O)c2ccc(F)cc12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50103509, &quot;data-inchi_base&quot;: &quot;ASQDMAQHZGURLM-GFCCVEGCSA&quot;, &quot;mols2grid-id&quot;: 54, &quot;data-Ligand_InChI_Key&quot;: &quot;ASQDMAQHZGURLM-GFCCVEGCSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 54, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50103509&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[C@H]1Oc2cc(cnc2N)-c2c(C)nn(C)c2CN(C)C(=O)c2ccc(F)cc12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ASQDMAQHZGURLM-GFCCVEGCSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ASQDMAQHZGURLM-GFCCVEGCSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[C@H]1Oc2cc(cnc2N)-c2c(C)[nH][n+](C)c2CN(C)C(=O)c2ccc(F)cc12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51138917, &quot;data-inchi_base&quot;: &quot;ASQDMAQHZGURLM-GFCCVEGCSA&quot;, &quot;mols2grid-id&quot;: 55, &quot;data-Ligand_InChI_Key&quot;: &quot;ASQDMAQHZGURLM-GFCCVEGCSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 55, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51138917&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[C@H]1Oc2cc(cnc2N)-c2c(C)[nH][n+](C)c2CN(C)C(=O)c2ccc(F)cc12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ASQDMAQHZGURLM-GFCCVEGCSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ASQDMAQHZGURLM-GFCCVEGCSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CO[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51029455, &quot;data-inchi_base&quot;: &quot;ASVZROPDGUUDHJ-VEIUFWFVSA&quot;, &quot;mols2grid-id&quot;: 56, &quot;data-Ligand_InChI_Key&quot;: &quot;ASVZROPDGUUDHJ-VEIUFWFVSA-J&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 56, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51029455&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CO[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ASVZROPDGUUDHJ-VEIUFWFVSA-J&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ASVZROPDGUUDHJ-VEIUFWFVSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CO[C@H]1O[C@H](COS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@@H]1OS(O)(=O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50999789, &quot;data-inchi_base&quot;: &quot;ASVZROPDGUUDHJ-VEIUFWFVSA&quot;, &quot;mols2grid-id&quot;: 57, &quot;data-Ligand_InChI_Key&quot;: &quot;ASVZROPDGUUDHJ-VEIUFWFVSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 57, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50999789&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CO[C@H]1O[C@H](COS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@@H]1OS(O)(=O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ASVZROPDGUUDHJ-VEIUFWFVSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ASVZROPDGUUDHJ-VEIUFWFVSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1ccc(cc1OC)N(C)c1cnc(SCc2c(F)cc(OCCCS([O-])(=O)=O)cc2F)n1-c1ccc(F)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 795995, &quot;data-inchi_base&quot;: &quot;AUGWFSKMKLCJIL-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 58, &quot;data-Ligand_InChI_Key&quot;: &quot;AUGWFSKMKLCJIL-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 58, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;795995&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1ccc(cc1OC)N(C)c1cnc(SCc2c(F)cc(OCCCS([O-])(=O)=O)cc2F)n1-c1ccc(F)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AUGWFSKMKLCJIL-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AUGWFSKMKLCJIL-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;N.COc1ccc(cc1OC)N(C)c1cnc(SCc2c(F)cc(OCCCS(O)(=O)=O)cc2F)n1-c1ccc(F)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50886596, &quot;data-inchi_base&quot;: &quot;AUGWFSKMKLCJIL-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 59, &quot;data-Ligand_InChI_Key&quot;: &quot;AUGWFSKMKLCJIL-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 59, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50886596&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;N.COc1ccc(cc1OC)N(C)c1cnc(SCc2c(F)cc(OCCCS(O)(=O)=O)cc2F)n1-c1ccc(F)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AUGWFSKMKLCJIL-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AUGWFSKMKLCJIL-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 33654, &quot;data-inchi_base&quot;: &quot;AUYYCJSJGJYCDS-LBPRGKRZSA&quot;, &quot;mols2grid-id&quot;: 60, &quot;data-Ligand_InChI_Key&quot;: &quot;AUYYCJSJGJYCDS-LBPRGKRZSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 60, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;33654&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AUYYCJSJGJYCDS-LBPRGKRZSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AUYYCJSJGJYCDS-LBPRGKRZSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 93258, &quot;data-inchi_base&quot;: &quot;AUYYCJSJGJYCDS-LBPRGKRZSA&quot;, &quot;mols2grid-id&quot;: 61, &quot;data-Ligand_InChI_Key&quot;: &quot;AUYYCJSJGJYCDS-LBPRGKRZSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 61, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;93258&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AUYYCJSJGJYCDS-LBPRGKRZSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AUYYCJSJGJYCDS-LBPRGKRZSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(C)C[C@H](NC(=O)OC1CCN(CC1)C(=O)OC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(O)(=O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 1034003, &quot;data-inchi_base&quot;: &quot;AVMDEKFUKVZQPM-PIJSLZJWSA&quot;, &quot;mols2grid-id&quot;: 62, &quot;data-Ligand_InChI_Key&quot;: &quot;AVMDEKFUKVZQPM-PIJSLZJWSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 62, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;1034003&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(C)C[C@H](NC(=O)OC1CCN(CC1)C(=O)OC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(O)(=O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AVMDEKFUKVZQPM-PIJSLZJWSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AVMDEKFUKVZQPM-PIJSLZJWSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(C)C[C@H](NC(=O)OC1CCN(CC1)C(=O)OC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S([O-])(=O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 868799, &quot;data-inchi_base&quot;: &quot;AVMDEKFUKVZQPM-PIJSLZJWSA&quot;, &quot;mols2grid-id&quot;: 63, &quot;data-Ligand_InChI_Key&quot;: &quot;AVMDEKFUKVZQPM-PIJSLZJWSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 63, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;868799&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(C)C[C@H](NC(=O)OC1CCN(CC1)C(=O)OC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S([O-])(=O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AVMDEKFUKVZQPM-PIJSLZJWSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AVMDEKFUKVZQPM-PIJSLZJWSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Cn1c(nc(c1-c1ccncc1)-c1ccc(F)cc1)-c1cn(nn1)-c1cccc(c1)C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50269470, &quot;data-inchi_base&quot;: &quot;AWDXPJVBIPFUMF-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 64, &quot;data-Ligand_InChI_Key&quot;: &quot;AWDXPJVBIPFUMF-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 64, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50269470&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cn1c(nc(c1-c1ccncc1)-c1ccc(F)cc1)-c1cn(nn1)-c1cccc(c1)C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AWDXPJVBIPFUMF-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AWDXPJVBIPFUMF-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[N+](C)(C)CCO.Cn1c(nc(c1-c1ccncc1)-c1ccc(F)cc1)-c1cn(nn1)-c1cccc(c1)C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51207196, &quot;data-inchi_base&quot;: &quot;AWDXPJVBIPFUMF-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 65, &quot;data-Ligand_InChI_Key&quot;: &quot;AWDXPJVBIPFUMF-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 65, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51207196&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[N+](C)(C)CCO.Cn1c(nc(c1-c1ccncc1)-c1ccc(F)cc1)-c1cn(nn1)-c1cccc(c1)C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AWDXPJVBIPFUMF-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AWDXPJVBIPFUMF-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CN(C)C(=O)CCS[C@H](SCCC(O)=O)c1cccc(\\\\C=C\\\\c2ccc3ccc(Cl)cc3n2)c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50003842, &quot;data-inchi_base&quot;: &quot;AXUZQJFHDNNPFG-LHAVAQOQSA&quot;, &quot;mols2grid-id&quot;: 66, &quot;data-Ligand_InChI_Key&quot;: &quot;AXUZQJFHDNNPFG-LHAVAQOQSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 66, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50003842&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CN(C)C(=O)CCS[C@H](SCCC(O)=O)c1cccc(\\\\C=C\\\\c2ccc3ccc(Cl)cc3n2)c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AXUZQJFHDNNPFG-LHAVAQOQSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AXUZQJFHDNNPFG-LHAVAQOQSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CN(C)C(=O)CCS[C@H](SCCC([O-])=O)c1cccc(\\\\C=C\\\\c2ccc3ccc(Cl)cc3n2)c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50004753, &quot;data-inchi_base&quot;: &quot;AXUZQJFHDNNPFG-LHAVAQOQSA&quot;, &quot;mols2grid-id&quot;: 67, &quot;data-Ligand_InChI_Key&quot;: &quot;AXUZQJFHDNNPFG-LHAVAQOQSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 67, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50004753&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CN(C)C(=O)CCS[C@H](SCCC([O-])=O)c1cccc(\\\\C=C\\\\c2ccc3ccc(Cl)cc3n2)c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AXUZQJFHDNNPFG-LHAVAQOQSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AXUZQJFHDNNPFG-LHAVAQOQSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CN(C)C(=O)CCSC(SCCC(O)=O)c1cccc(\\\\C=C\\\\c2ccc3ccc(Cl)cc3n2)c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 181364, &quot;data-inchi_base&quot;: &quot;AXUZQJFHDNNPFG-UXBLZVDNSA&quot;, &quot;mols2grid-id&quot;: 68, &quot;data-Ligand_InChI_Key&quot;: &quot;AXUZQJFHDNNPFG-UXBLZVDNSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 68, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;181364&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CN(C)C(=O)CCSC(SCCC(O)=O)c1cccc(\\\\C=C\\\\c2ccc3ccc(Cl)cc3n2)c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AXUZQJFHDNNPFG-UXBLZVDNSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AXUZQJFHDNNPFG-UXBLZVDNSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CN(C)C(=O)CCSC(SCCC([O-])=O)c1cccc(\\\\C=C\\\\c2ccc3ccc(Cl)cc3n2)c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50004748, &quot;data-inchi_base&quot;: &quot;AXUZQJFHDNNPFG-UXBLZVDNSA&quot;, &quot;mols2grid-id&quot;: 69, &quot;data-Ligand_InChI_Key&quot;: &quot;AXUZQJFHDNNPFG-UXBLZVDNSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 69, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50004748&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CN(C)C(=O)CCSC(SCCC([O-])=O)c1cccc(\\\\C=C\\\\c2ccc3ccc(Cl)cc3n2)c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AXUZQJFHDNNPFG-UXBLZVDNSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AXUZQJFHDNNPFG-UXBLZVDNSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(c(O)cc1O)-c1ccccc1F&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 37699, &quot;data-inchi_base&quot;: &quot;AXYVGIWCXQOTTL-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 70, &quot;data-Ligand_InChI_Key&quot;: &quot;AXYVGIWCXQOTTL-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 70, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;37699&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(c(O)cc1O)-c1ccccc1F&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AXYVGIWCXQOTTL-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AXYVGIWCXQOTTL-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCNC(=O)c1noc(c1-c1ccc(C[NH+]2CCOCC2)cc1)-c1cc(c(O)cc1O)-c1ccccc1F&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 506726, &quot;data-inchi_base&quot;: &quot;AXYVGIWCXQOTTL-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 71, &quot;data-Ligand_InChI_Key&quot;: &quot;AXYVGIWCXQOTTL-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 71, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;506726&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCNC(=O)c1noc(c1-c1ccc(C[NH+]2CCOCC2)cc1)-c1cc(c(O)cc1O)-c1ccccc1F&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AXYVGIWCXQOTTL-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AXYVGIWCXQOTTL-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OP(O)(=O)CCOCCP(O)(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50573521, &quot;data-inchi_base&quot;: &quot;AYKSPXGDZHZDGO-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 72, &quot;data-Ligand_InChI_Key&quot;: &quot;AYKSPXGDZHZDGO-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 72, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50573521&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OP(O)(=O)CCOCCP(O)(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AYKSPXGDZHZDGO-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AYKSPXGDZHZDGO-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[O-]P([O-])(=O)CCOCCP([O-])([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50787529, &quot;data-inchi_base&quot;: &quot;AYKSPXGDZHZDGO-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 73, &quot;data-Ligand_InChI_Key&quot;: &quot;AYKSPXGDZHZDGO-UHFFFAOYSA-J&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 73, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50787529&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[O-]P([O-])(=O)CCOCCP([O-])([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AYKSPXGDZHZDGO-UHFFFAOYSA-J&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AYKSPXGDZHZDGO-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[O-]C(=O)CCCCC(=O)N1CCc2c(C1)n(CCCc1ccccc1)c1ccccc21&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 721420, &quot;data-inchi_base&quot;: &quot;AZVYUBSOAYAFCA-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 74, &quot;data-Ligand_InChI_Key&quot;: &quot;AZVYUBSOAYAFCA-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 74, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;721420&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[O-]C(=O)CCCCC(=O)N1CCc2c(C1)n(CCCc1ccccc1)c1ccccc21&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AZVYUBSOAYAFCA-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AZVYUBSOAYAFCA-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)CCCCC(=O)N1CCc2c(C1)n(CCCc1ccccc1)c1ccccc21&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 297658, &quot;data-inchi_base&quot;: &quot;AZVYUBSOAYAFCA-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 75, &quot;data-Ligand_InChI_Key&quot;: &quot;AZVYUBSOAYAFCA-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 75, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;297658&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)CCCCC(=O)N1CCc2c(C1)n(CCCc1ccccc1)c1ccccc21&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AZVYUBSOAYAFCA-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AZVYUBSOAYAFCA-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC[C@H]1C[C@@H](Nc2[nH+]c(Nc3cncnc3)ncc2-c2nc(cs2)-c2ccccc2)[C@H](O)[C@@H]1O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 580226, &quot;data-inchi_base&quot;: &quot;AZXBABNXTNXWQA-JRJVTICQSA&quot;, &quot;mols2grid-id&quot;: 76, &quot;data-Ligand_InChI_Key&quot;: &quot;AZXBABNXTNXWQA-JRJVTICQSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 76, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;580226&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC[C@H]1C[C@@H](Nc2[nH+]c(Nc3cncnc3)ncc2-c2nc(cs2)-c2ccccc2)[C@H](O)[C@@H]1O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AZXBABNXTNXWQA-JRJVTICQSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AZXBABNXTNXWQA-JRJVTICQSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC[C@H]1C[C@@H](Nc2nc(Nc3cncnc3)ncc2-c2nc(cs2)-c2ccccc2)[C@H](O)[C@@H]1O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50386040, &quot;data-inchi_base&quot;: &quot;AZXBABNXTNXWQA-JRJVTICQSA&quot;, &quot;mols2grid-id&quot;: 77, &quot;data-Ligand_InChI_Key&quot;: &quot;AZXBABNXTNXWQA-JRJVTICQSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 77, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50386040&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC[C@H]1C[C@@H](Nc2nc(Nc3cncnc3)ncc2-c2nc(cs2)-c2ccccc2)[C@H](O)[C@@H]1O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AZXBABNXTNXWQA-JRJVTICQSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;AZXBABNXTNXWQA-JRJVTICQSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[C@H](C[Si](O)(O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50025315, &quot;data-inchi_base&quot;: &quot;BAUPNCSSOJSBCN-JRGCBEDISA&quot;, &quot;mols2grid-id&quot;: 78, &quot;data-Ligand_InChI_Key&quot;: &quot;BAUPNCSSOJSBCN-JRGCBEDISA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 78, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50025315&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[C@H](C[Si](O)(O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BAUPNCSSOJSBCN-JRGCBEDISA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BAUPNCSSOJSBCN-JRGCBEDISA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[C@H](C[Si](O)(O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50970798, &quot;data-inchi_base&quot;: &quot;BAUPNCSSOJSBCN-JRGCBEDISA&quot;, &quot;mols2grid-id&quot;: 79, &quot;data-Ligand_InChI_Key&quot;: &quot;BAUPNCSSOJSBCN-JRGCBEDISA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 79, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50970798&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[C@H](C[Si](O)(O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BAUPNCSSOJSBCN-JRGCBEDISA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BAUPNCSSOJSBCN-JRGCBEDISA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1cccc2c1cc([N+]([O-])=O)c1c(cc3OCOc3c21)C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50907407, &quot;data-inchi_base&quot;: &quot;BBFQZRXNYIEMAW-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 80, &quot;data-Ligand_InChI_Key&quot;: &quot;BBFQZRXNYIEMAW-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 80, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50907407&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1cccc2c1cc([N+]([O-])=O)c1c(cc3OCOc3c21)C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BBFQZRXNYIEMAW-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BBFQZRXNYIEMAW-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1cccc2c1cc([N+]([O-])=O)c1c(cc3OCOc3c21)C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 201867, &quot;data-inchi_base&quot;: &quot;BBFQZRXNYIEMAW-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 81, &quot;data-Ligand_InChI_Key&quot;: &quot;BBFQZRXNYIEMAW-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 81, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;201867&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1cccc2c1cc([N+]([O-])=O)c1c(cc3OCOc3c21)C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BBFQZRXNYIEMAW-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BBFQZRXNYIEMAW-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)-c1nnn[nH]1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 20311, &quot;data-inchi_base&quot;: &quot;BCDMNHGZHZHNEL-AGRHKRQWSA&quot;, &quot;mols2grid-id&quot;: 82, &quot;data-Ligand_InChI_Key&quot;: &quot;BCDMNHGZHZHNEL-AGRHKRQWSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 82, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;20311&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)-c1nnn[nH]1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BCDMNHGZHZHNEL-AGRHKRQWSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BCDMNHGZHZHNEL-AGRHKRQWSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)-c1nnn[nH]1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 252761, &quot;data-inchi_base&quot;: &quot;BCDMNHGZHZHNEL-AGRHKRQWSA&quot;, &quot;mols2grid-id&quot;: 83, &quot;data-Ligand_InChI_Key&quot;: &quot;BCDMNHGZHZHNEL-AGRHKRQWSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 83, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;252761&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)-c1nnn[nH]1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BCDMNHGZHZHNEL-AGRHKRQWSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BCDMNHGZHZHNEL-AGRHKRQWSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC1(C)\\\\C(=C\\\\C=C\\\\C=C\\\\C=C\\\\C2=[N+](CCCCS([O-])(=O)=O)c3ccc4ccccc4c3C2(C)C)N(CCCCS([O-])(=O)=O)c2ccc3ccccc3c12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 197577, &quot;data-inchi_base&quot;: &quot;BDBMLMBYCXNVMC-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 84, &quot;data-Ligand_InChI_Key&quot;: &quot;BDBMLMBYCXNVMC-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 84, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;197577&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC1(C)\\\\C(=C\\\\C=C\\\\C=C\\\\C=C\\\\C2=[N+](CCCCS([O-])(=O)=O)c3ccc4ccccc4c3C2(C)C)N(CCCCS([O-])(=O)=O)c2ccc3ccccc3c12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BDBMLMBYCXNVMC-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BDBMLMBYCXNVMC-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC1(C)\\\\C(=C\\\\C=C\\\\C=C\\\\C=C\\\\C2=[N+](CCCCS([O-])(=O)=O)c3ccc4ccccc4c3C2(C)C)N(CCCCS(O)(=O)=O)c2ccc3ccccc3c12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51026889, &quot;data-inchi_base&quot;: &quot;BDBMLMBYCXNVMC-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 85, &quot;data-Ligand_InChI_Key&quot;: &quot;BDBMLMBYCXNVMC-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 85, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51026889&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC1(C)\\\\C(=C\\\\C=C\\\\C=C\\\\C=C\\\\C2=[N+](CCCCS([O-])(=O)=O)c3ccc4ccccc4c3C2(C)C)N(CCCCS(O)(=O)=O)c2ccc3ccccc3c12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BDBMLMBYCXNVMC-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BDBMLMBYCXNVMC-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 19310, &quot;data-inchi_base&quot;: &quot;BFIKQYQPKFNDJQ-AGRHKRQWSA&quot;, &quot;mols2grid-id&quot;: 86, &quot;data-Ligand_InChI_Key&quot;: &quot;BFIKQYQPKFNDJQ-AGRHKRQWSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 86, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;19310&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BFIKQYQPKFNDJQ-AGRHKRQWSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BFIKQYQPKFNDJQ-AGRHKRQWSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50399762, &quot;data-inchi_base&quot;: &quot;BFIKQYQPKFNDJQ-AGRHKRQWSA&quot;, &quot;mols2grid-id&quot;: 87, &quot;data-Ligand_InChI_Key&quot;: &quot;BFIKQYQPKFNDJQ-AGRHKRQWSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 87, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50399762&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BFIKQYQPKFNDJQ-AGRHKRQWSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BFIKQYQPKFNDJQ-AGRHKRQWSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC[C@H]1C[C@@H](Nc2[nH+]c(Nc3cncnc3)ncc2-c2nc3ccncc3s2)[C@H](O)[C@@H]1O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 580219, &quot;data-inchi_base&quot;: &quot;BGUZYXYKAWUZCF-AIPUMIGSSA&quot;, &quot;mols2grid-id&quot;: 88, &quot;data-Ligand_InChI_Key&quot;: &quot;BGUZYXYKAWUZCF-AIPUMIGSSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 88, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;580219&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC[C@H]1C[C@@H](Nc2[nH+]c(Nc3cncnc3)ncc2-c2nc3ccncc3s2)[C@H](O)[C@@H]1O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BGUZYXYKAWUZCF-AIPUMIGSSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BGUZYXYKAWUZCF-AIPUMIGSSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC[C@H]1C[C@@H](Nc2nc(Nc3cncnc3)ncc2-c2nc3ccncc3s2)[C@H](O)[C@@H]1O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50386078, &quot;data-inchi_base&quot;: &quot;BGUZYXYKAWUZCF-AIPUMIGSSA&quot;, &quot;mols2grid-id&quot;: 89, &quot;data-Ligand_InChI_Key&quot;: &quot;BGUZYXYKAWUZCF-AIPUMIGSSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 89, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50386078&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC[C@H]1C[C@@H](Nc2nc(Nc3cncnc3)ncc2-c2nc3ccncc3s2)[C@H](O)[C@@H]1O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BGUZYXYKAWUZCF-AIPUMIGSSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BGUZYXYKAWUZCF-AIPUMIGSSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1ccc(C[C@@H]2[NH+](C)CCc3cc(OC)c(O)cc23)cc1O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50918651, &quot;data-inchi_base&quot;: &quot;BHLYRWXGMIUIHG-HNNXBMFYSA&quot;, &quot;mols2grid-id&quot;: 90, &quot;data-Ligand_InChI_Key&quot;: &quot;BHLYRWXGMIUIHG-HNNXBMFYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 90, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50918651&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1ccc(C[C@@H]2[NH+](C)CCc3cc(OC)c(O)cc23)cc1O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BHLYRWXGMIUIHG-HNNXBMFYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BHLYRWXGMIUIHG-HNNXBMFYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1ccc(C[C@@H]2N(C)CCc3cc(OC)c(O)cc23)cc1O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50510877, &quot;data-inchi_base&quot;: &quot;BHLYRWXGMIUIHG-HNNXBMFYSA&quot;, &quot;mols2grid-id&quot;: 91, &quot;data-Ligand_InChI_Key&quot;: &quot;BHLYRWXGMIUIHG-HNNXBMFYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 91, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50510877&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1ccc(C[C@@H]2N(C)CCc3cc(OC)c(O)cc23)cc1O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BHLYRWXGMIUIHG-HNNXBMFYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BHLYRWXGMIUIHG-HNNXBMFYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Oc1nc(N=NC=CCc2ccccc2)sc1CC([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 207730, &quot;data-inchi_base&quot;: &quot;BHWNUQMWDZCQQJ-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 92, &quot;data-Ligand_InChI_Key&quot;: &quot;BHWNUQMWDZCQQJ-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 92, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;207730&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Oc1nc(N=NC=CCc2ccccc2)sc1CC([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BHWNUQMWDZCQQJ-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BHWNUQMWDZCQQJ-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)Cc1sc(N=NC=CCc2ccccc2)nc1O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 207729, &quot;data-inchi_base&quot;: &quot;BHWNUQMWDZCQQJ-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 93, &quot;data-Ligand_InChI_Key&quot;: &quot;BHWNUQMWDZCQQJ-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 93, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;207729&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)Cc1sc(N=NC=CCc2ccccc2)nc1O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BHWNUQMWDZCQQJ-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BHWNUQMWDZCQQJ-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1cc(cc(OC)c1OC)N1Cc2cnc3nc(N)nc(N)c3c2C=C1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50299001, &quot;data-inchi_base&quot;: &quot;BIGRVUZNHBDRLI-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 94, &quot;data-Ligand_InChI_Key&quot;: &quot;BIGRVUZNHBDRLI-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 94, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50299001&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1cc(cc(OC)c1OC)N1Cc2cnc3nc(N)nc(N)c3c2C=C1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BIGRVUZNHBDRLI-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BIGRVUZNHBDRLI-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1cc(cc(OC)c1OC)[NH+]1Cc2cnc3nc(N)nc(N)c3c2C=C1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50047230, &quot;data-inchi_base&quot;: &quot;BIGRVUZNHBDRLI-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 95, &quot;data-Ligand_InChI_Key&quot;: &quot;BIGRVUZNHBDRLI-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 95, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50047230&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1cc(cc(OC)c1OC)[NH+]1Cc2cnc3nc(N)nc(N)c3c2C=C1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BIGRVUZNHBDRLI-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BIGRVUZNHBDRLI-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;O[C@@H](CC(O)=O)C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51247112, &quot;data-inchi_base&quot;: &quot;BJEPYKJPYRNKOW-REOHCLBHSA&quot;, &quot;mols2grid-id&quot;: 96, &quot;data-Ligand_InChI_Key&quot;: &quot;BJEPYKJPYRNKOW-REOHCLBHSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 96, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51247112&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;O[C@@H](CC(O)=O)C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BJEPYKJPYRNKOW-REOHCLBHSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BJEPYKJPYRNKOW-REOHCLBHSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;O[C@@H](CC([O-])=O)C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50454447, &quot;data-inchi_base&quot;: &quot;BJEPYKJPYRNKOW-REOHCLBHSA&quot;, &quot;mols2grid-id&quot;: 97, &quot;data-Ligand_InChI_Key&quot;: &quot;BJEPYKJPYRNKOW-REOHCLBHSA-L&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 97, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50454447&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;O[C@@H](CC([O-])=O)C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BJEPYKJPYRNKOW-REOHCLBHSA-L&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BJEPYKJPYRNKOW-REOHCLBHSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(CC(O)=O)C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 200637, &quot;data-inchi_base&quot;: &quot;BJEPYKJPYRNKOW-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 98, &quot;data-Ligand_InChI_Key&quot;: &quot;BJEPYKJPYRNKOW-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 98, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;200637&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(CC(O)=O)C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BJEPYKJPYRNKOW-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BJEPYKJPYRNKOW-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(CC([O-])=O)C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 433128, &quot;data-inchi_base&quot;: &quot;BJEPYKJPYRNKOW-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 99, &quot;data-Ligand_InChI_Key&quot;: &quot;BJEPYKJPYRNKOW-UHFFFAOYSA-L&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 99, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;433128&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(CC([O-])=O)C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BJEPYKJPYRNKOW-UHFFFAOYSA-L&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BJEPYKJPYRNKOW-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccsc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50859429, &quot;data-inchi_base&quot;: &quot;BJQGGALRPGCIFD-WCQYABFASA&quot;, &quot;mols2grid-id&quot;: 100, &quot;data-Ligand_InChI_Key&quot;: &quot;BJQGGALRPGCIFD-WCQYABFASA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 100, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50859429&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccsc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BJQGGALRPGCIFD-WCQYABFASA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BJQGGALRPGCIFD-WCQYABFASA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCN(CC)C(=O)[C@]1(C[C@H]1C[NH3+])c1ccsc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50378146, &quot;data-inchi_base&quot;: &quot;BJQGGALRPGCIFD-WCQYABFASA&quot;, &quot;mols2grid-id&quot;: 101, &quot;data-Ligand_InChI_Key&quot;: &quot;BJQGGALRPGCIFD-WCQYABFASA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 101, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50378146&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCN(CC)C(=O)[C@]1(C[C@H]1C[NH3+])c1ccsc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BJQGGALRPGCIFD-WCQYABFASA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BJQGGALRPGCIFD-WCQYABFASA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC1(C)Nc2c3CCCc3c(cc2C(C)(C)C1=O)-c1cccn2nccc12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50347063, &quot;data-inchi_base&quot;: &quot;BLYMJBIZMIGWFK-OAHLLOKOSA&quot;, &quot;mols2grid-id&quot;: 102, &quot;data-Ligand_InChI_Key&quot;: &quot;BLYMJBIZMIGWFK-OAHLLOKOSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 102, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50347063&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC1(C)Nc2c3CCCc3c(cc2C(C)(C)C1=O)-c1cccn2nccc12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BLYMJBIZMIGWFK-OAHLLOKOSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BLYMJBIZMIGWFK-OAHLLOKOSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCCN(CCC)[C@@H]1CCc2ccc(O)cc2C1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50043854, &quot;data-inchi_base&quot;: &quot;BLYMJBIZMIGWFK-OAHLLOKOSA&quot;, &quot;mols2grid-id&quot;: 103, &quot;data-Ligand_InChI_Key&quot;: &quot;BLYMJBIZMIGWFK-OAHLLOKOSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 103, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50043854&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCN(CCC)[C@@H]1CCc2ccc(O)cc2C1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BLYMJBIZMIGWFK-OAHLLOKOSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BLYMJBIZMIGWFK-OAHLLOKOSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;NCC(O)C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 201723, &quot;data-inchi_base&quot;: &quot;BMYNFMYTOJXKLE-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 104, &quot;data-Ligand_InChI_Key&quot;: &quot;BMYNFMYTOJXKLE-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 104, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;201723&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NCC(O)C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BMYNFMYTOJXKLE-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BMYNFMYTOJXKLE-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;NCC(O)C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51396105, &quot;data-inchi_base&quot;: &quot;BMYNFMYTOJXKLE-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 105, &quot;data-Ligand_InChI_Key&quot;: &quot;BMYNFMYTOJXKLE-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 105, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51396105&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NCC(O)C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BMYNFMYTOJXKLE-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BMYNFMYTOJXKLE-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[NH3+]CCC1OC(CO)C(O)C(O)C1O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50780571, &quot;data-inchi_base&quot;: &quot;BNFUZESWWRCHFC-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 106, &quot;data-Ligand_InChI_Key&quot;: &quot;BNFUZESWWRCHFC-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 106, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50780571&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[NH3+]CCC1OC(CO)C(O)C(O)C1O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BNFUZESWWRCHFC-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BNFUZESWWRCHFC-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;NCCC1OC(CO)C(O)C(O)C1O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50049637, &quot;data-inchi_base&quot;: &quot;BNFUZESWWRCHFC-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 107, &quot;data-Ligand_InChI_Key&quot;: &quot;BNFUZESWWRCHFC-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 107, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50049637&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NCCC1OC(CO)C(O)C(O)C1O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BNFUZESWWRCHFC-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BNFUZESWWRCHFC-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(C)c1nc(nc(-c2ccc(F)cc2)c1\\\\C=C\\\\[C@@H](O)C[C@@H](O)CC([O-])=O)N(C)S(C)(=O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 297715, &quot;data-inchi_base&quot;: &quot;BPRHUIZQVSMCRT-VEUZHWNKSA&quot;, &quot;mols2grid-id&quot;: 108, &quot;data-Ligand_InChI_Key&quot;: &quot;BPRHUIZQVSMCRT-VEUZHWNKSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 108, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;297715&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(C)c1nc(nc(-c2ccc(F)cc2)c1\\\\C=C\\\\[C@@H](O)C[C@@H](O)CC([O-])=O)N(C)S(C)(=O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BPRHUIZQVSMCRT-VEUZHWNKSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BPRHUIZQVSMCRT-VEUZHWNKSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(C)c1nc(nc(-c2ccc(F)cc2)c1\\\\C=C\\\\[C@@H](O)C[C@@H](O)CC(O)=O)N(C)S(C)(=O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 32851, &quot;data-inchi_base&quot;: &quot;BPRHUIZQVSMCRT-VEUZHWNKSA&quot;, &quot;mols2grid-id&quot;: 109, &quot;data-Ligand_InChI_Key&quot;: &quot;BPRHUIZQVSMCRT-VEUZHWNKSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 109, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;32851&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(C)c1nc(nc(-c2ccc(F)cc2)c1\\\\C=C\\\\[C@@H](O)C[C@@H](O)CC(O)=O)N(C)S(C)(=O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BPRHUIZQVSMCRT-VEUZHWNKSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BPRHUIZQVSMCRT-VEUZHWNKSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CN1C(N)=NC(C1=O)(c1ccnc(F)c1)c1ccc(OC(F)F)c(C)c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 1097525, &quot;data-inchi_base&quot;: &quot;BQLKDSHNYNQXGR-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 110, &quot;data-Ligand_InChI_Key&quot;: &quot;BQLKDSHNYNQXGR-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 110, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;1097525&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CN1C(N)=NC(C1=O)(c1ccnc(F)c1)c1ccc(OC(F)F)c(C)c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BQLKDSHNYNQXGR-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BQLKDSHNYNQXGR-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CN1C(N)=[NH+]C(C1=O)(c1ccnc(F)c1)c1ccc(OC(F)F)c(C)c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 1097562, &quot;data-inchi_base&quot;: &quot;BQLKDSHNYNQXGR-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 111, &quot;data-Ligand_InChI_Key&quot;: &quot;BQLKDSHNYNQXGR-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 111, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;1097562&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CN1C(N)=[NH+]C(C1=O)(c1ccnc(F)c1)c1ccc(OC(F)F)c(C)c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BQLKDSHNYNQXGR-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BQLKDSHNYNQXGR-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[NH3+]CCC[NH2+]CCCCCC(=O)NO&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 293374, &quot;data-inchi_base&quot;: &quot;BREASWSBOVLQOH-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 112, &quot;data-Ligand_InChI_Key&quot;: &quot;BREASWSBOVLQOH-UHFFFAOYSA-P&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 112, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;293374&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[NH3+]CCC[NH2+]CCCCCC(=O)NO&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BREASWSBOVLQOH-UHFFFAOYSA-P&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BREASWSBOVLQOH-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;NCCCNCCCCCC(=O)NO&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51072482, &quot;data-inchi_base&quot;: &quot;BREASWSBOVLQOH-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 113, &quot;data-Ligand_InChI_Key&quot;: &quot;BREASWSBOVLQOH-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 113, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51072482&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NCCCNCCCCCC(=O)NO&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BREASWSBOVLQOH-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BREASWSBOVLQOH-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;NCc1ccc2CCNCc2c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50577630, &quot;data-inchi_base&quot;: &quot;BRPFEQDYPUVJAP-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 114, &quot;data-Ligand_InChI_Key&quot;: &quot;BRPFEQDYPUVJAP-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 114, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50577630&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NCc1ccc2CCNCc2c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BRPFEQDYPUVJAP-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BRPFEQDYPUVJAP-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[NH3+]Cc1ccc2CCNCc2c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50789528, &quot;data-inchi_base&quot;: &quot;BRPFEQDYPUVJAP-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 115, &quot;data-Ligand_InChI_Key&quot;: &quot;BRPFEQDYPUVJAP-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 115, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50789528&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[NH3+]Cc1ccc2CCNCc2c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BRPFEQDYPUVJAP-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BRPFEQDYPUVJAP-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCNC1=O)C(O)S([O-])(=O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 917885, &quot;data-inchi_base&quot;: &quot;BSPZFJDYQHDZNR-ASPXRTSYSA&quot;, &quot;mols2grid-id&quot;: 116, &quot;data-Ligand_InChI_Key&quot;: &quot;BSPZFJDYQHDZNR-ASPXRTSYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 116, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;917885&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCNC1=O)C(O)S([O-])(=O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BSPZFJDYQHDZNR-ASPXRTSYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BSPZFJDYQHDZNR-ASPXRTSYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCNC1=O)C(O)S(O)(=O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 1032721, &quot;data-inchi_base&quot;: &quot;BSPZFJDYQHDZNR-ASPXRTSYSA&quot;, &quot;mols2grid-id&quot;: 117, &quot;data-Ligand_InChI_Key&quot;: &quot;BSPZFJDYQHDZNR-ASPXRTSYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 117, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;1032721&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCNC1=O)C(O)S(O)(=O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BSPZFJDYQHDZNR-ASPXRTSYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BSPZFJDYQHDZNR-ASPXRTSYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(=O)Oc1ccccc1C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51026859, &quot;data-inchi_base&quot;: &quot;BSYNRYMUTXBXSQ-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 118, &quot;data-Ligand_InChI_Key&quot;: &quot;BSYNRYMUTXBXSQ-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 118, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51026859&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(=O)Oc1ccccc1C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BSYNRYMUTXBXSQ-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BSYNRYMUTXBXSQ-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(=O)Oc1ccccc1C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 40418, &quot;data-inchi_base&quot;: &quot;BSYNRYMUTXBXSQ-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 119, &quot;data-Ligand_InChI_Key&quot;: &quot;BSYNRYMUTXBXSQ-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 119, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;40418&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(=O)Oc1ccccc1C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BSYNRYMUTXBXSQ-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BSYNRYMUTXBXSQ-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 49450, &quot;data-inchi_base&quot;: &quot;BVKZGUZCCUSVTD-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 120, &quot;data-Ligand_InChI_Key&quot;: &quot;BVKZGUZCCUSVTD-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 120, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;49450&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BVKZGUZCCUSVTD-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BVKZGUZCCUSVTD-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[O-]C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 49451, &quot;data-inchi_base&quot;: &quot;BVKZGUZCCUSVTD-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 121, &quot;data-Ligand_InChI_Key&quot;: &quot;BVKZGUZCCUSVTD-UHFFFAOYSA-L&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 121, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;49451&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[O-]C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BVKZGUZCCUSVTD-UHFFFAOYSA-L&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BVKZGUZCCUSVTD-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50468304, &quot;data-inchi_base&quot;: &quot;BVKZGUZCCUSVTD-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 122, &quot;data-Ligand_InChI_Key&quot;: &quot;BVKZGUZCCUSVTD-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 122, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50468304&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BVKZGUZCCUSVTD-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BVKZGUZCCUSVTD-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;O=c1cc(nc2c3ccccc3ccn12)N1CCOCC1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50125763, &quot;data-inchi_base&quot;: &quot;BVRDQVRQVGRNHG-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 123, &quot;data-Ligand_InChI_Key&quot;: &quot;BVRDQVRQVGRNHG-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 123, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50125763&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;O=c1cc(nc2c3ccccc3ccn12)N1CCOCC1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BVRDQVRQVGRNHG-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BVRDQVRQVGRNHG-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[OH+]=c1cc(nc2c3ccccc3ccn12)N1CCOCC1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50132975, &quot;data-inchi_base&quot;: &quot;BVRDQVRQVGRNHG-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 124, &quot;data-Ligand_InChI_Key&quot;: &quot;BVRDQVRQVGRNHG-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 124, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50132975&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[OH+]=c1cc(nc2c3ccccc3ccn12)N1CCOCC1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BVRDQVRQVGRNHG-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BVRDQVRQVGRNHG-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCCCCCCCCCCCCCCn1cc[n+](CC(O)(P(O)(O)=O)P(O)(O)=O)c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 294383, &quot;data-inchi_base&quot;: &quot;BWBSGQBVVSKFMY-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 125, &quot;data-Ligand_InChI_Key&quot;: &quot;BWBSGQBVVSKFMY-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 125, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;294383&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCCCCCCCCCCCCCn1cc[n+](CC(O)(P(O)(O)=O)P(O)(O)=O)c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BWBSGQBVVSKFMY-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BWBSGQBVVSKFMY-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCCCCCCCCCCCCCCn1cc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51049335, &quot;data-inchi_base&quot;: &quot;BWBSGQBVVSKFMY-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 126, &quot;data-Ligand_InChI_Key&quot;: &quot;BWBSGQBVVSKFMY-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 126, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51049335&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCCCCCCCCCCCCCn1cc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BWBSGQBVVSKFMY-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BWBSGQBVVSKFMY-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)c1ccc(cc1O)N(Cc1ccc(cc1)C1CCOCC1)C(=O)[C@H]1CCN1S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 1160605, &quot;data-inchi_base&quot;: &quot;BXOIEZCCWKTUDB-HXUWFJFHSA&quot;, &quot;mols2grid-id&quot;: 127, &quot;data-Ligand_InChI_Key&quot;: &quot;BXOIEZCCWKTUDB-HXUWFJFHSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 127, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;1160605&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)c1ccc(cc1O)N(Cc1ccc(cc1)C1CCOCC1)C(=O)[C@H]1CCN1S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BXOIEZCCWKTUDB-HXUWFJFHSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BXOIEZCCWKTUDB-HXUWFJFHSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Oc1cc(ccc1C([O-])=O)N(Cc1ccc(cc1)C1CCOCC1)C(=O)[C@H]1CCN1S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 1160607, &quot;data-inchi_base&quot;: &quot;BXOIEZCCWKTUDB-HXUWFJFHSA&quot;, &quot;mols2grid-id&quot;: 128, &quot;data-Ligand_InChI_Key&quot;: &quot;BXOIEZCCWKTUDB-HXUWFJFHSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 128, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;1160607&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Oc1cc(ccc1C([O-])=O)N(Cc1ccc(cc1)C1CCOCC1)C(=O)[C@H]1CCN1S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BXOIEZCCWKTUDB-HXUWFJFHSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BXOIEZCCWKTUDB-HXUWFJFHSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;N[C@@H](COP(O)(O)=O)C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 31681, &quot;data-inchi_base&quot;: &quot;BZQFBWGGLXLEPQ-REOHCLBHSA&quot;, &quot;mols2grid-id&quot;: 129, &quot;data-Ligand_InChI_Key&quot;: &quot;BZQFBWGGLXLEPQ-REOHCLBHSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 129, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;31681&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;N[C@@H](COP(O)(O)=O)C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BZQFBWGGLXLEPQ-REOHCLBHSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BZQFBWGGLXLEPQ-REOHCLBHSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[NH3+][C@@H](COP([O-])([O-])=O)C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 201732, &quot;data-inchi_base&quot;: &quot;BZQFBWGGLXLEPQ-REOHCLBHSA&quot;, &quot;mols2grid-id&quot;: 130, &quot;data-Ligand_InChI_Key&quot;: &quot;BZQFBWGGLXLEPQ-REOHCLBHSA-L&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 130, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;201732&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[NH3+][C@@H](COP([O-])([O-])=O)C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BZQFBWGGLXLEPQ-REOHCLBHSA-L&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;BZQFBWGGLXLEPQ-REOHCLBHSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(c(O)cc1O)-c1ccc(F)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 37701, &quot;data-inchi_base&quot;: &quot;CDCLIURFWZMJLI-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 131, &quot;data-Ligand_InChI_Key&quot;: &quot;CDCLIURFWZMJLI-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 131, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;37701&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(c(O)cc1O)-c1ccc(F)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CDCLIURFWZMJLI-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CDCLIURFWZMJLI-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCNC(=O)c1noc(c1-c1ccc(C[NH+]2CCCCC2)cc1)-c1cc(c(O)cc1O)-c1ccc(F)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 506717, &quot;data-inchi_base&quot;: &quot;CDCLIURFWZMJLI-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 132, &quot;data-Ligand_InChI_Key&quot;: &quot;CDCLIURFWZMJLI-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 132, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;506717&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCNC(=O)c1noc(c1-c1ccc(C[NH+]2CCCCC2)cc1)-c1cc(c(O)cc1O)-c1ccc(F)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CDCLIURFWZMJLI-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CDCLIURFWZMJLI-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[NH3+]C1=NC(CF)(COC1)c1cccc(NC(=O)c2ccc(Cl)cn2)n1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 241481, &quot;data-inchi_base&quot;: &quot;CDJHOYHFBRGWII-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 133, &quot;data-Ligand_InChI_Key&quot;: &quot;CDJHOYHFBRGWII-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 133, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;241481&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[NH3+]C1=NC(CF)(COC1)c1cccc(NC(=O)c2ccc(Cl)cn2)n1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CDJHOYHFBRGWII-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CDJHOYHFBRGWII-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;NC1=NC(CF)(COC1)c1cccc(NC(=O)c2ccc(Cl)cn2)n1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 531831, &quot;data-inchi_base&quot;: &quot;CDJHOYHFBRGWII-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 134, &quot;data-Ligand_InChI_Key&quot;: &quot;CDJHOYHFBRGWII-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 134, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;531831&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NC1=NC(CF)(COC1)c1cccc(NC(=O)c2ccc(Cl)cn2)n1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CDJHOYHFBRGWII-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CDJHOYHFBRGWII-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;O[C@H]1[C@@H](OP([O-])([O-])=O)[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@H]1OP([O-])([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 374931, &quot;data-inchi_base&quot;: &quot;CIPFCGZLFXVXBG-CNWJWELYSA&quot;, &quot;mols2grid-id&quot;: 135, &quot;data-Ligand_InChI_Key&quot;: &quot;CIPFCGZLFXVXBG-CNWJWELYSA-F&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 135, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;374931&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;O[C@H]1[C@@H](OP([O-])([O-])=O)[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@H]1OP([O-])([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CIPFCGZLFXVXBG-CNWJWELYSA-F&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CIPFCGZLFXVXBG-CNWJWELYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;O[C@H]1[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1OP(O)(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50131477, &quot;data-inchi_base&quot;: &quot;CIPFCGZLFXVXBG-CNWJWELYSA&quot;, &quot;mols2grid-id&quot;: 136, &quot;data-Ligand_InChI_Key&quot;: &quot;CIPFCGZLFXVXBG-CNWJWELYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 136, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50131477&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;O[C@H]1[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1OP(O)(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CIPFCGZLFXVXBG-CNWJWELYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CIPFCGZLFXVXBG-CNWJWELYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(=O)Nc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50855134, &quot;data-inchi_base&quot;: &quot;CKDSSRXGNPFPPZ-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 137, &quot;data-Ligand_InChI_Key&quot;: &quot;CKDSSRXGNPFPPZ-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 137, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50855134&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(=O)Nc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CKDSSRXGNPFPPZ-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CKDSSRXGNPFPPZ-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(=O)Nc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(O)(=O)=O)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50604140, &quot;data-inchi_base&quot;: &quot;CKDSSRXGNPFPPZ-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 138, &quot;data-Ligand_InChI_Key&quot;: &quot;CKDSSRXGNPFPPZ-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 138, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50604140&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(=O)Nc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(O)(=O)=O)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CKDSSRXGNPFPPZ-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CKDSSRXGNPFPPZ-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[Na+].COc1cc(\\\\C=C\\\\c2ccc3ccc(C([O-])=O)c(O)c3n2)cc(O)c1O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51175963, &quot;data-inchi_base&quot;: &quot;CLMLBXMNTZEJCB-GORDUTHDSA&quot;, &quot;mols2grid-id&quot;: 139, &quot;data-Ligand_InChI_Key&quot;: &quot;CLMLBXMNTZEJCB-GORDUTHDSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 139, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51175963&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[Na+].COc1cc(\\\\C=C\\\\c2ccc3ccc(C([O-])=O)c(O)c3n2)cc(O)c1O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CLMLBXMNTZEJCB-GORDUTHDSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CLMLBXMNTZEJCB-GORDUTHDSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1cc(\\\\C=C\\\\c2ccc3ccc(C(O)=O)c(O)c3n2)cc(O)c1O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50025108, &quot;data-inchi_base&quot;: &quot;CLMLBXMNTZEJCB-GORDUTHDSA&quot;, &quot;mols2grid-id&quot;: 140, &quot;data-Ligand_InChI_Key&quot;: &quot;CLMLBXMNTZEJCB-GORDUTHDSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 140, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50025108&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1cc(\\\\C=C\\\\c2ccc3ccc(C(O)=O)c(O)c3n2)cc(O)c1O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CLMLBXMNTZEJCB-GORDUTHDSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CLMLBXMNTZEJCB-GORDUTHDSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1cc(Nc2ncc(c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)[nH+]2)-n2cccn2)ccn1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 580229, &quot;data-inchi_base&quot;: &quot;CMRYWUGALSEVBU-ZPUIDXCVSA&quot;, &quot;mols2grid-id&quot;: 141, &quot;data-Ligand_InChI_Key&quot;: &quot;CMRYWUGALSEVBU-ZPUIDXCVSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 141, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;580229&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1cc(Nc2ncc(c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)[nH+]2)-n2cccn2)ccn1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CMRYWUGALSEVBU-ZPUIDXCVSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CMRYWUGALSEVBU-ZPUIDXCVSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1cc(Nc2ncc(c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)-n2cccn2)ccn1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50386044, &quot;data-inchi_base&quot;: &quot;CMRYWUGALSEVBU-ZPUIDXCVSA&quot;, &quot;mols2grid-id&quot;: 142, &quot;data-Ligand_InChI_Key&quot;: &quot;CMRYWUGALSEVBU-ZPUIDXCVSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 142, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50386044&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1cc(Nc2ncc(c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)-n2cccn2)ccn1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CMRYWUGALSEVBU-ZPUIDXCVSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CMRYWUGALSEVBU-ZPUIDXCVSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1ccc2cc(ccc2c1)[C@@H](C)C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 103074, &quot;data-inchi_base&quot;: &quot;CMWTZPSULFXXJA-SECBINFHSA&quot;, &quot;mols2grid-id&quot;: 143, &quot;data-Ligand_InChI_Key&quot;: &quot;CMWTZPSULFXXJA-SECBINFHSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 143, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;103074&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1ccc2cc(ccc2c1)[C@@H](C)C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CMWTZPSULFXXJA-SECBINFHSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CMWTZPSULFXXJA-SECBINFHSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1ccc2cc(ccc2c1)[C@@H](C)C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 1211719, &quot;data-inchi_base&quot;: &quot;CMWTZPSULFXXJA-SECBINFHSA&quot;, &quot;mols2grid-id&quot;: 144, &quot;data-Ligand_InChI_Key&quot;: &quot;CMWTZPSULFXXJA-SECBINFHSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 144, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;1211719&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1ccc2cc(ccc2c1)[C@@H](C)C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CMWTZPSULFXXJA-SECBINFHSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CMWTZPSULFXXJA-SECBINFHSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1ccc2cc(ccc2c1)[C@H](C)C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 103086, &quot;data-inchi_base&quot;: &quot;CMWTZPSULFXXJA-VIFPVBQESA&quot;, &quot;mols2grid-id&quot;: 145, &quot;data-Ligand_InChI_Key&quot;: &quot;CMWTZPSULFXXJA-VIFPVBQESA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 145, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;103086&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1ccc2cc(ccc2c1)[C@H](C)C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CMWTZPSULFXXJA-VIFPVBQESA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CMWTZPSULFXXJA-VIFPVBQESA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1ccc2cc(ccc2c1)[C@H](C)C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 390322, &quot;data-inchi_base&quot;: &quot;CMWTZPSULFXXJA-VIFPVBQESA&quot;, &quot;mols2grid-id&quot;: 146, &quot;data-Ligand_InChI_Key&quot;: &quot;CMWTZPSULFXXJA-VIFPVBQESA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 146, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;390322&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1ccc2cc(ccc2c1)[C@H](C)C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CMWTZPSULFXXJA-VIFPVBQESA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CMWTZPSULFXXJA-VIFPVBQESA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[O-]C(=O)CCC(=O)Nc1ccc(NC(=O)c2ccc(s2)[N+]([O-])=O)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 310268, &quot;data-inchi_base&quot;: &quot;CNCBAAWCRTYXMY-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 147, &quot;data-Ligand_InChI_Key&quot;: &quot;CNCBAAWCRTYXMY-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 147, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;310268&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[O-]C(=O)CCC(=O)Nc1ccc(NC(=O)c2ccc(s2)[N+]([O-])=O)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CNCBAAWCRTYXMY-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CNCBAAWCRTYXMY-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)CCC(=O)Nc1ccc(NC(=O)c2ccc(s2)[N+]([O-])=O)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 310260, &quot;data-inchi_base&quot;: &quot;CNCBAAWCRTYXMY-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 148, &quot;data-Ligand_InChI_Key&quot;: &quot;CNCBAAWCRTYXMY-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 148, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;310260&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)CCC(=O)Nc1ccc(NC(=O)c2ccc(s2)[N+]([O-])=O)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CNCBAAWCRTYXMY-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CNCBAAWCRTYXMY-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)O[C@@H]2[C@H](O)[C@@H](COP(O)(=O)O[C@@H]3[C@H](O)[C@@H](COP(O)(=O)O[C@@H]4[C@H](O)[C@@H](COP(O)(O)=O)O[C@H]4n4cnc5c(N)ncnc45)O[C@H]3n3cnc4c(N)ncnc34)O[C@H]2n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50503815, &quot;data-inchi_base&quot;: &quot;COOGAGWMNGSZRA-HKIDEBSPSA&quot;, &quot;mols2grid-id&quot;: 149, &quot;data-Ligand_InChI_Key&quot;: &quot;COOGAGWMNGSZRA-HKIDEBSPSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 149, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50503815&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)O[C@@H]2[C@H](O)[C@@H](COP(O)(=O)O[C@@H]3[C@H](O)[C@@H](COP(O)(=O)O[C@@H]4[C@H](O)[C@@H](COP(O)(O)=O)O[C@H]4n4cnc5c(N)ncnc45)O[C@H]3n3cnc4c(N)ncnc34)O[C@H]2n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COOGAGWMNGSZRA-HKIDEBSPSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COOGAGWMNGSZRA-HKIDEBSPSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)O[C@@H]2[C@H](O)[C@@H](COP([O-])(=O)O[C@@H]3[C@H](O)[C@@H](COP([O-])(=O)O[C@@H]4[C@H](O)[C@@H](COP(O)([O-])=O)O[C@H]4n4cnc5c(N)ncnc45)O[C@H]3n3cnc4c(N)ncnc34)O[C@H]2n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50555476, &quot;data-inchi_base&quot;: &quot;COOGAGWMNGSZRA-HKIDEBSPSA&quot;, &quot;mols2grid-id&quot;: 150, &quot;data-Ligand_InChI_Key&quot;: &quot;COOGAGWMNGSZRA-HKIDEBSPSA-J&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 150, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50555476&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)O[C@@H]2[C@H](O)[C@@H](COP([O-])(=O)O[C@@H]3[C@H](O)[C@@H](COP([O-])(=O)O[C@@H]4[C@H](O)[C@@H](COP(O)([O-])=O)O[C@H]4n4cnc5c(N)ncnc45)O[C@H]3n3cnc4c(N)ncnc34)O[C@H]2n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COOGAGWMNGSZRA-HKIDEBSPSA-J&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COOGAGWMNGSZRA-HKIDEBSPSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCNC(=O)Nc1nc2cc(c(F)c([C@H]3CCCO3)c2[nH]1)-c1cnc(nc1)C(C)(C)OP(O)(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50396929, &quot;data-inchi_base&quot;: &quot;COTQDURISRILOR-CQSZACIVSA&quot;, &quot;mols2grid-id&quot;: 151, &quot;data-Ligand_InChI_Key&quot;: &quot;COTQDURISRILOR-CQSZACIVSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 151, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50396929&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCNC(=O)Nc1nc2cc(c(F)c([C@H]3CCCO3)c2[nH]1)-c1cnc(nc1)C(C)(C)OP(O)(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COTQDURISRILOR-CQSZACIVSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COTQDURISRILOR-CQSZACIVSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCNC(=O)Nc1nc2cc(c(F)c([C@H]3CCCO3)c2[nH]1)-c1cnc(nc1)C(C)(C)OP([O-])([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50957626, &quot;data-inchi_base&quot;: &quot;COTQDURISRILOR-CQSZACIVSA&quot;, &quot;mols2grid-id&quot;: 152, &quot;data-Ligand_InChI_Key&quot;: &quot;COTQDURISRILOR-CQSZACIVSA-L&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 152, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50957626&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCNC(=O)Nc1nc2cc(c(F)c([C@H]3CCCO3)c2[nH]1)-c1cnc(nc1)C(C)(C)OP([O-])([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COTQDURISRILOR-CQSZACIVSA-L&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COTQDURISRILOR-CQSZACIVSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)c1ccc2CCNCc2c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50577543, &quot;data-inchi_base&quot;: &quot;CQNSOIKACZHLHP-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 153, &quot;data-Ligand_InChI_Key&quot;: &quot;CQNSOIKACZHLHP-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 153, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50577543&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)c1ccc2CCNCc2c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CQNSOIKACZHLHP-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CQNSOIKACZHLHP-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[O-]C(=O)c1ccc2CCNCc2c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50789501, &quot;data-inchi_base&quot;: &quot;CQNSOIKACZHLHP-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 154, &quot;data-Ligand_InChI_Key&quot;: &quot;CQNSOIKACZHLHP-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 154, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50789501&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[O-]C(=O)c1ccc2CCNCc2c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CQNSOIKACZHLHP-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CQNSOIKACZHLHP-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C1CC1C(NC1=[NH+]CCO1)C1CC1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 176490, &quot;data-inchi_base&quot;: &quot;CQXADFVORZEARL-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 155, &quot;data-Ligand_InChI_Key&quot;: &quot;CQXADFVORZEARL-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 155, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;176490&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C1CC1C(NC1=[NH+]CCO1)C1CC1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CQXADFVORZEARL-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CQXADFVORZEARL-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C1CC1C(NC1=NCCO1)C1CC1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50309963, &quot;data-inchi_base&quot;: &quot;CQXADFVORZEARL-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 156, &quot;data-Ligand_InChI_Key&quot;: &quot;CQXADFVORZEARL-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 156, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50309963&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C1CC1C(NC1=NCCO1)C1CC1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CQXADFVORZEARL-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CQXADFVORZEARL-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50023490, &quot;data-inchi_base&quot;: &quot;CSXIDZJPJYRGSK-UJKKYYSESA&quot;, &quot;mols2grid-id&quot;: 157, &quot;data-Ligand_InChI_Key&quot;: &quot;CSXIDZJPJYRGSK-UJKKYYSESA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 157, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50023490&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CSXIDZJPJYRGSK-UJKKYYSESA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CSXIDZJPJYRGSK-UJKKYYSESA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS([O-])(=O)=O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50002165, &quot;data-inchi_base&quot;: &quot;CSXIDZJPJYRGSK-UJKKYYSESA&quot;, &quot;mols2grid-id&quot;: 158, &quot;data-Ligand_InChI_Key&quot;: &quot;CSXIDZJPJYRGSK-UJKKYYSESA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 158, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50002165&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS([O-])(=O)=O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CSXIDZJPJYRGSK-UJKKYYSESA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CSXIDZJPJYRGSK-UJKKYYSESA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COC(=O)CCC(=O)Nc1ccc(NC(=O)c2cccs2)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 310258, &quot;data-inchi_base&quot;: &quot;CVQOFOLPQIVFII-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 159, &quot;data-Ligand_InChI_Key&quot;: &quot;CVQOFOLPQIVFII-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 159, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;310258&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COC(=O)CCC(=O)Nc1ccc(NC(=O)c2cccs2)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CVQOFOLPQIVFII-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CVQOFOLPQIVFII-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[O-]C(=O)CCC(=O)Nc1ccc(NC(=O)c2cccs2)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 310266, &quot;data-inchi_base&quot;: &quot;CVQOFOLPQIVFII-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 160, &quot;data-Ligand_InChI_Key&quot;: &quot;CVQOFOLPQIVFII-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 160, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;310266&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[O-]C(=O)CCC(=O)Nc1ccc(NC(=O)c2cccs2)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CVQOFOLPQIVFII-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CVQOFOLPQIVFII-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;O=C1NC(=O)C(N1)(c1ccccc1)c1ccccc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50032223, &quot;data-inchi_base&quot;: &quot;CXOFVDLJLONNDW-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 161, &quot;data-Ligand_InChI_Key&quot;: &quot;CXOFVDLJLONNDW-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 161, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50032223&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;O=C1NC(=O)C(N1)(c1ccccc1)c1ccccc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CXOFVDLJLONNDW-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CXOFVDLJLONNDW-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;O=C1NC(C(=O)[N-]1)(c1ccccc1)c1ccccc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 73949, &quot;data-inchi_base&quot;: &quot;CXOFVDLJLONNDW-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 162, &quot;data-Ligand_InChI_Key&quot;: &quot;CXOFVDLJLONNDW-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 162, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;73949&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;O=C1NC(C(=O)[N-]1)(c1ccccc1)c1ccccc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CXOFVDLJLONNDW-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CXOFVDLJLONNDW-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CN(C)CCO\\\\N=C1\\\\C(=Nc2ccccc12)c1c(O)[nH]c2c(Br)cccc12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51002929, &quot;data-inchi_base&quot;: &quot;CYXGVPFAWCPIFH-HKOYGPOVSA&quot;, &quot;mols2grid-id&quot;: 163, &quot;data-Ligand_InChI_Key&quot;: &quot;CYXGVPFAWCPIFH-HKOYGPOVSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 163, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51002929&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CN(C)CCO\\\\N=C1\\\\C(=Nc2ccccc12)c1c(O)[nH]c2c(Br)cccc12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CYXGVPFAWCPIFH-HKOYGPOVSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CYXGVPFAWCPIFH-HKOYGPOVSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[NH+](C)CCO\\\\N=C1\\\\C(=Nc2ccccc12)c1c(O)[nH]c2c(Br)cccc12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51002909, &quot;data-inchi_base&quot;: &quot;CYXGVPFAWCPIFH-HKOYGPOVSA&quot;, &quot;mols2grid-id&quot;: 164, &quot;data-Ligand_InChI_Key&quot;: &quot;CYXGVPFAWCPIFH-HKOYGPOVSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 164, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51002909&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[NH+](C)CCO\\\\N=C1\\\\C(=Nc2ccccc12)c1c(O)[nH]c2c(Br)cccc12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CYXGVPFAWCPIFH-HKOYGPOVSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CYXGVPFAWCPIFH-HKOYGPOVSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[K+].Cc1nnc(o1)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c([O-])c(=O)n1C&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51171435, &quot;data-inchi_base&quot;: &quot;CZFFBEXEKNGXKS-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 165, &quot;data-Ligand_InChI_Key&quot;: &quot;CZFFBEXEKNGXKS-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 165, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51171435&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[K+].Cc1nnc(o1)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c([O-])c(=O)n1C&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CZFFBEXEKNGXKS-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CZFFBEXEKNGXKS-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Cc1nnc(o1)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 45995, &quot;data-inchi_base&quot;: &quot;CZFFBEXEKNGXKS-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 166, &quot;data-Ligand_InChI_Key&quot;: &quot;CZFFBEXEKNGXKS-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 166, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;45995&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cc1nnc(o1)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CZFFBEXEKNGXKS-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CZFFBEXEKNGXKS-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)c1ccc(cc1)\\\\N=C\\\\c1ccccc1O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50555456, &quot;data-inchi_base&quot;: &quot;CZNXQJHAMQNIHB-OQLLNIDSSA&quot;, &quot;mols2grid-id&quot;: 167, &quot;data-Ligand_InChI_Key&quot;: &quot;CZNXQJHAMQNIHB-OQLLNIDSSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 167, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50555456&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)c1ccc(cc1)\\\\N=C\\\\c1ccccc1O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CZNXQJHAMQNIHB-OQLLNIDSSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CZNXQJHAMQNIHB-OQLLNIDSSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Oc1ccccc1\\\\C=N\\\\c1ccc(cc1)C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 868712, &quot;data-inchi_base&quot;: &quot;CZNXQJHAMQNIHB-OQLLNIDSSA&quot;, &quot;mols2grid-id&quot;: 168, &quot;data-Ligand_InChI_Key&quot;: &quot;CZNXQJHAMQNIHB-OQLLNIDSSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 168, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;868712&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Oc1ccccc1\\\\C=N\\\\c1ccc(cc1)C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CZNXQJHAMQNIHB-OQLLNIDSSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CZNXQJHAMQNIHB-OQLLNIDSSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(=O)Nc1cc(cc2cc(cc(O)c12)S(O)(=O)=O)S(O)(=O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50050691, &quot;data-inchi_base&quot;: &quot;DACUJXBUANTBKE-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 169, &quot;data-Ligand_InChI_Key&quot;: &quot;DACUJXBUANTBKE-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 169, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50050691&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(=O)Nc1cc(cc2cc(cc(O)c12)S(O)(=O)=O)S(O)(=O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DACUJXBUANTBKE-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DACUJXBUANTBKE-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1cncc(n1)N1CCc2nc(NC(C)=O)sc2C1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50351581, &quot;data-inchi_base&quot;: &quot;DACUJXBUANTBKE-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 170, &quot;data-Ligand_InChI_Key&quot;: &quot;DACUJXBUANTBKE-UHFFFAOYSA-L&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 170, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50351581&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1cncc(n1)N1CCc2nc(NC(C)=O)sc2C1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DACUJXBUANTBKE-UHFFFAOYSA-L&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DACUJXBUANTBKE-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(=O)Nc1cc(cc2cc(cc(O)c12)S([O-])(=O)=O)S(O)(=O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50058196, &quot;data-inchi_base&quot;: &quot;DACUJXBUANTBKE-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 171, &quot;data-Ligand_InChI_Key&quot;: &quot;DACUJXBUANTBKE-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 171, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50058196&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(=O)Nc1cc(cc2cc(cc(O)c12)S([O-])(=O)=O)S(O)(=O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DACUJXBUANTBKE-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DACUJXBUANTBKE-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[Na+].[Na+].CC(O)(P(O)([O-])=O)P(O)([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50772781, &quot;data-inchi_base&quot;: &quot;DBVJJBKOTRCVKF-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 172, &quot;data-Ligand_InChI_Key&quot;: &quot;DBVJJBKOTRCVKF-UHFFFAOYSA-L&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 172, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50772781&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[Na+].[Na+].CC(O)(P(O)([O-])=O)P(O)([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DBVJJBKOTRCVKF-UHFFFAOYSA-L&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DBVJJBKOTRCVKF-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(O)(P(O)(O)=O)P(O)(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50463864, &quot;data-inchi_base&quot;: &quot;DBVJJBKOTRCVKF-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 173, &quot;data-Ligand_InChI_Key&quot;: &quot;DBVJJBKOTRCVKF-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 173, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50463864&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(O)(P(O)(O)=O)P(O)(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DBVJJBKOTRCVKF-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DBVJJBKOTRCVKF-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC1CNC=Nc2c1ncn2CCCCCC(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50155544, &quot;data-inchi_base&quot;: &quot;DCNRYQVPBLIOAY-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 174, &quot;data-Ligand_InChI_Key&quot;: &quot;DCNRYQVPBLIOAY-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 174, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50155544&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC1CNC=Nc2c1ncn2CCCCCC(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DCNRYQVPBLIOAY-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DCNRYQVPBLIOAY-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC1CNC=Nc2c1ncn2CCCCCC([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50155374, &quot;data-inchi_base&quot;: &quot;DCNRYQVPBLIOAY-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 175, &quot;data-Ligand_InChI_Key&quot;: &quot;DCNRYQVPBLIOAY-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 175, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50155374&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC1CNC=Nc2c1ncn2CCCCCC([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DCNRYQVPBLIOAY-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DCNRYQVPBLIOAY-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[O-]C(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 176647, &quot;data-inchi_base&quot;: &quot;DCOPUUMXTXDBNB-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 176, &quot;data-Ligand_InChI_Key&quot;: &quot;DCOPUUMXTXDBNB-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 176, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;176647&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[O-]C(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DCOPUUMXTXDBNB-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DCOPUUMXTXDBNB-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 23553, &quot;data-inchi_base&quot;: &quot;DCOPUUMXTXDBNB-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 177, &quot;data-Ligand_InChI_Key&quot;: &quot;DCOPUUMXTXDBNB-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 177, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;23553&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DCOPUUMXTXDBNB-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DCOPUUMXTXDBNB-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC1C(COP(O)(O)=O)OC(C1O)n1cnc2c1[nH]c(=O)[nH]c2=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 162843, &quot;data-inchi_base&quot;: &quot;DCTLYFZHFGENCW-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 178, &quot;data-Ligand_InChI_Key&quot;: &quot;DCTLYFZHFGENCW-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 178, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;162843&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC1C(COP(O)(O)=O)OC(C1O)n1cnc2c1[nH]c(=O)[nH]c2=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DCTLYFZHFGENCW-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DCTLYFZHFGENCW-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC1C(COP([O-])([O-])=O)OC(C1O)n1cnc2c1[nH]c(=O)[nH]c2=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 200760, &quot;data-inchi_base&quot;: &quot;DCTLYFZHFGENCW-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 179, &quot;data-Ligand_InChI_Key&quot;: &quot;DCTLYFZHFGENCW-UHFFFAOYSA-L&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 179, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;200760&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC1C(COP([O-])([O-])=O)OC(C1O)n1cnc2c1[nH]c(=O)[nH]c2=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DCTLYFZHFGENCW-UHFFFAOYSA-L&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DCTLYFZHFGENCW-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CN(C)c1cccc(Nc2ncc(-c3nc4cnccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)[nH+]2)c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 580218, &quot;data-inchi_base&quot;: &quot;DDMNJTFOPWEYEK-PUZMVAROSA&quot;, &quot;mols2grid-id&quot;: 180, &quot;data-Ligand_InChI_Key&quot;: &quot;DDMNJTFOPWEYEK-PUZMVAROSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 180, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;580218&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CN(C)c1cccc(Nc2ncc(-c3nc4cnccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)[nH+]2)c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DDMNJTFOPWEYEK-PUZMVAROSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DDMNJTFOPWEYEK-PUZMVAROSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CN(C)c1cccc(Nc2ncc(-c3nc4cnccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50386142, &quot;data-inchi_base&quot;: &quot;DDMNJTFOPWEYEK-PUZMVAROSA&quot;, &quot;mols2grid-id&quot;: 181, &quot;data-Ligand_InChI_Key&quot;: &quot;DDMNJTFOPWEYEK-PUZMVAROSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 181, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50386142&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CN(C)c1cccc(Nc2ncc(-c3nc4cnccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DDMNJTFOPWEYEK-PUZMVAROSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DDMNJTFOPWEYEK-PUZMVAROSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;NC(CCP(O)(O)=O)C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 172421, &quot;data-inchi_base&quot;: &quot;DDOQBQRIEWHWBT-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 182, &quot;data-Ligand_InChI_Key&quot;: &quot;DDOQBQRIEWHWBT-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 182, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;172421&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NC(CCP(O)(O)=O)C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DDOQBQRIEWHWBT-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DDOQBQRIEWHWBT-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;NC(CCP(O)(O)=O)C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 201733, &quot;data-inchi_base&quot;: &quot;DDOQBQRIEWHWBT-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 183, &quot;data-Ligand_InChI_Key&quot;: &quot;DDOQBQRIEWHWBT-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 183, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;201733&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NC(CCP(O)(O)=O)C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DDOQBQRIEWHWBT-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DDOQBQRIEWHWBT-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Oc1cc(\\\\C=C\\\\c2ccc3ccc(C([O-])=O)c(O)c3n2)cc(O)c1O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50053070, &quot;data-inchi_base&quot;: &quot;DEHWDDWRZXNDCL-DAFODLJHSA&quot;, &quot;mols2grid-id&quot;: 184, &quot;data-Ligand_InChI_Key&quot;: &quot;DEHWDDWRZXNDCL-DAFODLJHSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 184, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50053070&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Oc1cc(\\\\C=C\\\\c2ccc3ccc(C([O-])=O)c(O)c3n2)cc(O)c1O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DEHWDDWRZXNDCL-DAFODLJHSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DEHWDDWRZXNDCL-DAFODLJHSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)c1ccc2ccc(\\\\C=C\\\\c3cc(O)c(O)c(O)c3)nc2c1O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50053068, &quot;data-inchi_base&quot;: &quot;DEHWDDWRZXNDCL-DAFODLJHSA&quot;, &quot;mols2grid-id&quot;: 185, &quot;data-Ligand_InChI_Key&quot;: &quot;DEHWDDWRZXNDCL-DAFODLJHSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 185, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50053068&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)c1ccc2ccc(\\\\C=C\\\\c3cc(O)c(O)c(O)c3)nc2c1O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DEHWDDWRZXNDCL-DAFODLJHSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DEHWDDWRZXNDCL-DAFODLJHSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC1(C)Nc2c3CCCc3c(cc2C(C)(C)C1=O)-c1cncc2nccn12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50347062, &quot;data-inchi_base&quot;: &quot;DEYFWGXTPWNADC-IBGZPJMESA&quot;, &quot;mols2grid-id&quot;: 186, &quot;data-Ligand_InChI_Key&quot;: &quot;DEYFWGXTPWNADC-IBGZPJMESA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 186, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50347062&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC1(C)Nc2c3CCCc3c(cc2C(C)(C)C1=O)-c1cncc2nccn12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DEYFWGXTPWNADC-IBGZPJMESA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DEYFWGXTPWNADC-IBGZPJMESA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCCN(CCc1ccccc1)[C@H]1CCc2c(O)cccc2C1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50033382, &quot;data-inchi_base&quot;: &quot;DEYFWGXTPWNADC-IBGZPJMESA&quot;, &quot;mols2grid-id&quot;: 187, &quot;data-Ligand_InChI_Key&quot;: &quot;DEYFWGXTPWNADC-IBGZPJMESA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 187, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50033382&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCN(CCc1ccccc1)[C@H]1CCc2c(O)cccc2C1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DEYFWGXTPWNADC-IBGZPJMESA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DEYFWGXTPWNADC-IBGZPJMESA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[C@@H](N(C)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C([O-])=O)c(O)c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 1160457, &quot;data-inchi_base&quot;: &quot;DFERRDICPZCXES-MRXNPFEDSA&quot;, &quot;mols2grid-id&quot;: 188, &quot;data-Ligand_InChI_Key&quot;: &quot;DFERRDICPZCXES-MRXNPFEDSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 188, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;1160457&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[C@@H](N(C)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C([O-])=O)c(O)c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DFERRDICPZCXES-MRXNPFEDSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DFERRDICPZCXES-MRXNPFEDSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[C@@H](N(C)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 1160455, &quot;data-inchi_base&quot;: &quot;DFERRDICPZCXES-MRXNPFEDSA&quot;, &quot;mols2grid-id&quot;: 189, &quot;data-Ligand_InChI_Key&quot;: &quot;DFERRDICPZCXES-MRXNPFEDSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 189, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;1160455&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[C@@H](N(C)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DFERRDICPZCXES-MRXNPFEDSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DFERRDICPZCXES-MRXNPFEDSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCOc1ccc(cn1)-c1ccc(Cn2c(CC(C)(C)C([O-])=O)c(SC(C)(C)C)c3cc(OCc4ccc(C)cn4)ccc23)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 254564, &quot;data-inchi_base&quot;: &quot;DFQGDHBGRSTTHX-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 190, &quot;data-Ligand_InChI_Key&quot;: &quot;DFQGDHBGRSTTHX-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 190, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;254564&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCOc1ccc(cn1)-c1ccc(Cn2c(CC(C)(C)C([O-])=O)c(SC(C)(C)C)c3cc(OCc4ccc(C)cn4)ccc23)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DFQGDHBGRSTTHX-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DFQGDHBGRSTTHX-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCOc1ccc(cn1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccc(C)cn4)ccc23)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50198193, &quot;data-inchi_base&quot;: &quot;DFQGDHBGRSTTHX-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 191, &quot;data-Ligand_InChI_Key&quot;: &quot;DFQGDHBGRSTTHX-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 191, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50198193&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCOc1ccc(cn1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccc(C)cn4)ccc23)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DFQGDHBGRSTTHX-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DFQGDHBGRSTTHX-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[Na+].[O-]C(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51150599, &quot;data-inchi_base&quot;: &quot;DHXISZKSSIWRLH-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 192, &quot;data-Ligand_InChI_Key&quot;: &quot;DHXISZKSSIWRLH-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 192, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51150599&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[Na+].[O-]C(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DHXISZKSSIWRLH-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DHXISZKSSIWRLH-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50222138, &quot;data-inchi_base&quot;: &quot;DHXISZKSSIWRLH-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 193, &quot;data-Ligand_InChI_Key&quot;: &quot;DHXISZKSSIWRLH-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 193, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50222138&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DHXISZKSSIWRLH-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DHXISZKSSIWRLH-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1cc(CCN)ccc1O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 178236, &quot;data-inchi_base&quot;: &quot;DIVQKHQLANKJQO-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 194, &quot;data-Ligand_InChI_Key&quot;: &quot;DIVQKHQLANKJQO-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 194, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;178236&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1cc(CCN)ccc1O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DIVQKHQLANKJQO-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DIVQKHQLANKJQO-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1cc(CC[NH3+])ccc1O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50064107, &quot;data-inchi_base&quot;: &quot;DIVQKHQLANKJQO-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 195, &quot;data-Ligand_InChI_Key&quot;: &quot;DIVQKHQLANKJQO-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 195, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50064107&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1cc(CC[NH3+])ccc1O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DIVQKHQLANKJQO-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DIVQKHQLANKJQO-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC1(C)S[C@@H]2[C@H](CO)C(=O)N2[C@H]1C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50011496, &quot;data-inchi_base&quot;: &quot;DJIMYYWAZIOWRD-JCGDXUMPSA&quot;, &quot;mols2grid-id&quot;: 196, &quot;data-Ligand_InChI_Key&quot;: &quot;DJIMYYWAZIOWRD-JCGDXUMPSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 196, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50011496&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC1(C)S[C@@H]2[C@H](CO)C(=O)N2[C@H]1C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DJIMYYWAZIOWRD-JCGDXUMPSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DJIMYYWAZIOWRD-JCGDXUMPSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC1(C)S[C@@H]2[C@H](CO)C(=O)N2[C@H]1C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 200502, &quot;data-inchi_base&quot;: &quot;DJIMYYWAZIOWRD-JCGDXUMPSA&quot;, &quot;mols2grid-id&quot;: 197, &quot;data-Ligand_InChI_Key&quot;: &quot;DJIMYYWAZIOWRD-JCGDXUMPSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 197, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;200502&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC1(C)S[C@@H]2[C@H](CO)C(=O)N2[C@H]1C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DJIMYYWAZIOWRD-JCGDXUMPSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DJIMYYWAZIOWRD-JCGDXUMPSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC1(C)S[C@@H]2[C@@H](CO)C(=O)N2[C@H]1C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50011501, &quot;data-inchi_base&quot;: &quot;DJIMYYWAZIOWRD-KZLJYQGOSA&quot;, &quot;mols2grid-id&quot;: 198, &quot;data-Ligand_InChI_Key&quot;: &quot;DJIMYYWAZIOWRD-KZLJYQGOSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 198, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50011501&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC1(C)S[C@@H]2[C@@H](CO)C(=O)N2[C@H]1C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DJIMYYWAZIOWRD-KZLJYQGOSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DJIMYYWAZIOWRD-KZLJYQGOSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC1(C)S[C@@H]2[C@@H](CO)C(=O)N2[C@H]1C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 200501, &quot;data-inchi_base&quot;: &quot;DJIMYYWAZIOWRD-KZLJYQGOSA&quot;, &quot;mols2grid-id&quot;: 199, &quot;data-Ligand_InChI_Key&quot;: &quot;DJIMYYWAZIOWRD-KZLJYQGOSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 199, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;200501&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC1(C)S[C@@H]2[C@@H](CO)C(=O)N2[C@H]1C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DJIMYYWAZIOWRD-KZLJYQGOSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DJIMYYWAZIOWRD-KZLJYQGOSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCCCc1nc(SC)c(C([O-])=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50474652, &quot;data-inchi_base&quot;: &quot;DKCCTYVLJMSFOG-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 200, &quot;data-Ligand_InChI_Key&quot;: &quot;DKCCTYVLJMSFOG-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 200, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50474652&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCCc1nc(SC)c(C([O-])=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DKCCTYVLJMSFOG-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DKCCTYVLJMSFOG-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50564716, &quot;data-inchi_base&quot;: &quot;DKCCTYVLJMSFOG-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 201, &quot;data-Ligand_InChI_Key&quot;: &quot;DKCCTYVLJMSFOG-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 201, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50564716&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DKCCTYVLJMSFOG-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DKCCTYVLJMSFOG-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[n+]1cn([C@@H]2O[C@H](COP([O-])(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50393445, &quot;data-inchi_base&quot;: &quot;DKVRNHPCAOHRSI-KQYNXXCUSA&quot;, &quot;mols2grid-id&quot;: 202, &quot;data-Ligand_InChI_Key&quot;: &quot;DKVRNHPCAOHRSI-KQYNXXCUSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 202, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50393445&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[n+]1cn([C@@H]2O[C@H](COP([O-])(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DKVRNHPCAOHRSI-KQYNXXCUSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DKVRNHPCAOHRSI-KQYNXXCUSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[n+]1cn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51525473, &quot;data-inchi_base&quot;: &quot;DKVRNHPCAOHRSI-KQYNXXCUSA&quot;, &quot;mols2grid-id&quot;: 203, &quot;data-Ligand_InChI_Key&quot;: &quot;DKVRNHPCAOHRSI-KQYNXXCUSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 203, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51525473&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[n+]1cn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DKVRNHPCAOHRSI-KQYNXXCUSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DKVRNHPCAOHRSI-KQYNXXCUSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCO[C@]1(N(Cc2ccc(Cl)cc2C([O-])=O)C(=O)c2cc(cc(F)c12)[C@](O)(CC)C1CCOCC1)c1ccc(Cl)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 1135733, &quot;data-inchi_base&quot;: &quot;DLUFTCNJNCOQGS-AJQTZOPKSA&quot;, &quot;mols2grid-id&quot;: 204, &quot;data-Ligand_InChI_Key&quot;: &quot;DLUFTCNJNCOQGS-AJQTZOPKSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 204, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;1135733&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCO[C@]1(N(Cc2ccc(Cl)cc2C([O-])=O)C(=O)c2cc(cc(F)c12)[C@](O)(CC)C1CCOCC1)c1ccc(Cl)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DLUFTCNJNCOQGS-AJQTZOPKSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DLUFTCNJNCOQGS-AJQTZOPKSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCO[C@]1(N(Cc2ccc(Cl)cc2C(O)=O)C(=O)c2cc(cc(F)c12)[C@](O)(CC)C1CCOCC1)c1ccc(Cl)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 871032, &quot;data-inchi_base&quot;: &quot;DLUFTCNJNCOQGS-AJQTZOPKSA&quot;, &quot;mols2grid-id&quot;: 205, &quot;data-Ligand_InChI_Key&quot;: &quot;DLUFTCNJNCOQGS-AJQTZOPKSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 205, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;871032&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCO[C@]1(N(Cc2ccc(Cl)cc2C(O)=O)C(=O)c2cc(cc(F)c12)[C@](O)(CC)C1CCOCC1)c1ccc(Cl)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DLUFTCNJNCOQGS-AJQTZOPKSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DLUFTCNJNCOQGS-AJQTZOPKSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1ccc(NC(=O)CSc2nc3c(C)c(ncc3[nH]2)C#N)cc1OP([O-])([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 1097815, &quot;data-inchi_base&quot;: &quot;DMHQWLLNQRPYGU-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 206, &quot;data-Ligand_InChI_Key&quot;: &quot;DMHQWLLNQRPYGU-UHFFFAOYSA-L&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 206, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;1097815&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1ccc(NC(=O)CSc2nc3c(C)c(ncc3[nH]2)C#N)cc1OP([O-])([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DMHQWLLNQRPYGU-UHFFFAOYSA-L&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DMHQWLLNQRPYGU-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1ccc(NC(=O)CSc2nc3c(C)c(ncc3[nH]2)C#N)cc1OP(O)(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 1097813, &quot;data-inchi_base&quot;: &quot;DMHQWLLNQRPYGU-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 207, &quot;data-Ligand_InChI_Key&quot;: &quot;DMHQWLLNQRPYGU-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 207, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;1097813&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1ccc(NC(=O)CSc2nc3c(C)c(ncc3[nH]2)C#N)cc1OP(O)(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DMHQWLLNQRPYGU-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DMHQWLLNQRPYGU-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Cc1cc(CN2CCN(Cc3ccncc3)[C@@H](CC([O-])=O)C2)ccc1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 1312590, &quot;data-inchi_base&quot;: &quot;DNRQYNYSRNRKME-DEOSSOPVSA&quot;, &quot;mols2grid-id&quot;: 208, &quot;data-Ligand_InChI_Key&quot;: &quot;DNRQYNYSRNRKME-DEOSSOPVSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 208, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;1312590&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cc1cc(CN2CCN(Cc3ccncc3)[C@@H](CC([O-])=O)C2)ccc1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DNRQYNYSRNRKME-DEOSSOPVSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DNRQYNYSRNRKME-DEOSSOPVSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Cc1cc(CN2CCN(Cc3ccncc3)[C@@H](CC(O)=O)C2)ccc1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 997333, &quot;data-inchi_base&quot;: &quot;DNRQYNYSRNRKME-DEOSSOPVSA&quot;, &quot;mols2grid-id&quot;: 209, &quot;data-Ligand_InChI_Key&quot;: &quot;DNRQYNYSRNRKME-DEOSSOPVSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 209, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;997333&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cc1cc(CN2CCN(Cc3ccncc3)[C@@H](CC(O)=O)C2)ccc1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DNRQYNYSRNRKME-DEOSSOPVSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DNRQYNYSRNRKME-DEOSSOPVSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COC(=O)[C@H](CCCC[NH3+])NC(=O)[C@]1(C)NC(=O)c2nc(oc2C)[C@@](C)(NC(=O)c2nc(oc2C)[C@@](C)(NC(=O)c2nc1oc2C)C(=O)NCC1CCCCC1)C(=O)NC1c2ccccc2-c2ccccc12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50211518, &quot;data-inchi_base&quot;: &quot;DOHGPSDHRIKTDB-KBAHWNQNSA&quot;, &quot;mols2grid-id&quot;: 210, &quot;data-Ligand_InChI_Key&quot;: &quot;DOHGPSDHRIKTDB-KBAHWNQNSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 210, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50211518&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COC(=O)[C@H](CCCC[NH3+])NC(=O)[C@]1(C)NC(=O)c2nc(oc2C)[C@@](C)(NC(=O)c2nc(oc2C)[C@@](C)(NC(=O)c2nc1oc2C)C(=O)NCC1CCCCC1)C(=O)NC1c2ccccc2-c2ccccc12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DOHGPSDHRIKTDB-KBAHWNQNSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DOHGPSDHRIKTDB-KBAHWNQNSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COC(=O)[C@H](CCCCN)NC(=O)[C@]1(C)NC(=O)c2nc(oc2C)[C@@](C)(NC(=O)c2nc(oc2C)[C@@](C)(NC(=O)c2nc1oc2C)C(=O)NCC1CCCCC1)C(=O)NC1c2ccccc2-c2ccccc12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51014389, &quot;data-inchi_base&quot;: &quot;DOHGPSDHRIKTDB-KBAHWNQNSA&quot;, &quot;mols2grid-id&quot;: 211, &quot;data-Ligand_InChI_Key&quot;: &quot;DOHGPSDHRIKTDB-KBAHWNQNSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 211, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51014389&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COC(=O)[C@H](CCCCN)NC(=O)[C@]1(C)NC(=O)c2nc(oc2C)[C@@](C)(NC(=O)c2nc(oc2C)[C@@](C)(NC(=O)c2nc1oc2C)C(=O)NCC1CCCCC1)C(=O)NC1c2ccccc2-c2ccccc12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DOHGPSDHRIKTDB-KBAHWNQNSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DOHGPSDHRIKTDB-KBAHWNQNSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCCCN(CCCC)S(=O)(=O)[N-]C(=O)Oc1c(cccc1C(C)C)C(C)C&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50779829, &quot;data-inchi_base&quot;: &quot;DQBPGBYTUSLIHW-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 212, &quot;data-Ligand_InChI_Key&quot;: &quot;DQBPGBYTUSLIHW-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 212, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50779829&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCCN(CCCC)S(=O)(=O)[N-]C(=O)Oc1c(cccc1C(C)C)C(C)C&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DQBPGBYTUSLIHW-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DQBPGBYTUSLIHW-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCCCN(CCCC)S(=O)(=O)NC(=O)Oc1c(cccc1C(C)C)C(C)C&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50779778, &quot;data-inchi_base&quot;: &quot;DQBPGBYTUSLIHW-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 213, &quot;data-Ligand_InChI_Key&quot;: &quot;DQBPGBYTUSLIHW-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 213, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50779778&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCCN(CCCC)S(=O)(=O)NC(=O)Oc1c(cccc1C(C)C)C(C)C&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DQBPGBYTUSLIHW-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DQBPGBYTUSLIHW-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;O=C(NC1CN2CCC1CC2)[C@H](Cc1ccc2ccccc2c1)N\\\\C(NC1CCCCC1)=[NH+]\\\\C1CCCCC1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50725036, &quot;data-inchi_base&quot;: &quot;DQUWHEDLZKSAKF-FSRLHOSWSA&quot;, &quot;mols2grid-id&quot;: 214, &quot;data-Ligand_InChI_Key&quot;: &quot;DQUWHEDLZKSAKF-FSRLHOSWSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 214, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50725036&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;O=C(NC1CN2CCC1CC2)[C@H](Cc1ccc2ccccc2c1)N\\\\C(NC1CCCCC1)=[NH+]\\\\C1CCCCC1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DQUWHEDLZKSAKF-FSRLHOSWSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DQUWHEDLZKSAKF-FSRLHOSWSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;O=C(NC1C[NH+]2CCC1CC2)[C@H](Cc1ccc2ccccc2c1)N\\\\C(NC1CCCCC1)=[NH+]\\\\C1CCCCC1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50060589, &quot;data-inchi_base&quot;: &quot;DQUWHEDLZKSAKF-FSRLHOSWSA&quot;, &quot;mols2grid-id&quot;: 215, &quot;data-Ligand_InChI_Key&quot;: &quot;DQUWHEDLZKSAKF-FSRLHOSWSA-P&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 215, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50060589&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;O=C(NC1C[NH+]2CCC1CC2)[C@H](Cc1ccc2ccccc2c1)N\\\\C(NC1CCCCC1)=[NH+]\\\\C1CCCCC1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DQUWHEDLZKSAKF-FSRLHOSWSA-P&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DQUWHEDLZKSAKF-FSRLHOSWSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COCc1cc(ccn1)C1([NH+]=C(N)N(C)C1=O)c1ccc(OC(F)F)c(C)c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 1097565, &quot;data-inchi_base&quot;: &quot;DQYCRINNXBOLPA-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 216, &quot;data-Ligand_InChI_Key&quot;: &quot;DQYCRINNXBOLPA-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 216, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;1097565&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COCc1cc(ccn1)C1([NH+]=C(N)N(C)C1=O)c1ccc(OC(F)F)c(C)c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DQYCRINNXBOLPA-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DQYCRINNXBOLPA-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COCc1cc(ccn1)C1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)c(C)c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 1097528, &quot;data-inchi_base&quot;: &quot;DQYCRINNXBOLPA-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 217, &quot;data-Ligand_InChI_Key&quot;: &quot;DQYCRINNXBOLPA-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 217, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;1097528&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COCc1cc(ccn1)C1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)c(C)c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DQYCRINNXBOLPA-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DQYCRINNXBOLPA-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COC(=O)[C@@H](CCCNC(=N)N[N+]([O-])=O)NC(=O)[C@H](N)Cc1ccccc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50781817, &quot;data-inchi_base&quot;: &quot;DRSRVBDYFUDJCK-CHWSQXEVSA&quot;, &quot;mols2grid-id&quot;: 218, &quot;data-Ligand_InChI_Key&quot;: &quot;DRSRVBDYFUDJCK-CHWSQXEVSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 218, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50781817&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COC(=O)[C@@H](CCCNC(=N)N[N+]([O-])=O)NC(=O)[C@H](N)Cc1ccccc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DRSRVBDYFUDJCK-CHWSQXEVSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DRSRVBDYFUDJCK-CHWSQXEVSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COC(=O)[C@@H](CCCNC(N)=N[N+]([O-])=O)NC(=O)[C@H]([NH3+])Cc1ccccc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51056160, &quot;data-inchi_base&quot;: &quot;DRSRVBDYFUDJCK-CHWSQXEVSA&quot;, &quot;mols2grid-id&quot;: 219, &quot;data-Ligand_InChI_Key&quot;: &quot;DRSRVBDYFUDJCK-CHWSQXEVSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 219, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51056160&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COC(=O)[C@@H](CCCNC(N)=N[N+]([O-])=O)NC(=O)[C@H]([NH3+])Cc1ccccc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DRSRVBDYFUDJCK-CHWSQXEVSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DRSRVBDYFUDJCK-CHWSQXEVSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCOC(=O)N1CCC(CC1)=C(c1cc(Cl)c(OC)c(c1)C([O-])=O)c1cc(Cl)c(OC)c(c1)C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 3584, &quot;data-inchi_base&quot;: &quot;DSGGLZFSLZNDMA-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 220, &quot;data-Ligand_InChI_Key&quot;: &quot;DSGGLZFSLZNDMA-UHFFFAOYSA-L&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 220, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;3584&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCOC(=O)N1CCC(CC1)=C(c1cc(Cl)c(OC)c(c1)C([O-])=O)c1cc(Cl)c(OC)c(c1)C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DSGGLZFSLZNDMA-UHFFFAOYSA-L&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DSGGLZFSLZNDMA-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCOC(=O)N1CCC(CC1)=C(c1cc(Cl)c(OC)c(c1)C(O)=O)c1cc(Cl)c(OC)c(c1)C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 3582, &quot;data-inchi_base&quot;: &quot;DSGGLZFSLZNDMA-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 221, &quot;data-Ligand_InChI_Key&quot;: &quot;DSGGLZFSLZNDMA-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 221, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;3582&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCOC(=O)N1CCC(CC1)=C(c1cc(Cl)c(OC)c(c1)C(O)=O)c1cc(Cl)c(OC)c(c1)C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DSGGLZFSLZNDMA-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DSGGLZFSLZNDMA-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)c1cc(F)c(cc1O)N(Cc1ccc(cc1)C1CCCCC1)C(=O)[C@H]1CCN1S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 1160575, &quot;data-inchi_base&quot;: &quot;DSTDCVGDUDNSTO-HXUWFJFHSA&quot;, &quot;mols2grid-id&quot;: 222, &quot;data-Ligand_InChI_Key&quot;: &quot;DSTDCVGDUDNSTO-HXUWFJFHSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 222, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;1160575&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)c1cc(F)c(cc1O)N(Cc1ccc(cc1)C1CCCCC1)C(=O)[C@H]1CCN1S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DSTDCVGDUDNSTO-HXUWFJFHSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DSTDCVGDUDNSTO-HXUWFJFHSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Oc1cc(N(Cc2ccc(cc2)C2CCCCC2)C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c(F)cc1C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 1160577, &quot;data-inchi_base&quot;: &quot;DSTDCVGDUDNSTO-HXUWFJFHSA&quot;, &quot;mols2grid-id&quot;: 223, &quot;data-Ligand_InChI_Key&quot;: &quot;DSTDCVGDUDNSTO-HXUWFJFHSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 223, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;1160577&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Oc1cc(N(Cc2ccc(cc2)C2CCCCC2)C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c(F)cc1C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DSTDCVGDUDNSTO-HXUWFJFHSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DSTDCVGDUDNSTO-HXUWFJFHSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OS(=O)(=O)c1ccc2cc(Nc3ccccc3)ccc2c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51526161, &quot;data-inchi_base&quot;: &quot;DTFZXNJFEIZTJR-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 224, &quot;data-Ligand_InChI_Key&quot;: &quot;DTFZXNJFEIZTJR-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 224, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51526161&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OS(=O)(=O)c1ccc2cc(Nc3ccccc3)ccc2c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DTFZXNJFEIZTJR-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DTFZXNJFEIZTJR-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[O-]S(=O)(=O)c1ccc2cc(Nc3ccccc3)ccc2c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50743558, &quot;data-inchi_base&quot;: &quot;DTFZXNJFEIZTJR-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 225, &quot;data-Ligand_InChI_Key&quot;: &quot;DTFZXNJFEIZTJR-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 225, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50743558&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[O-]S(=O)(=O)c1ccc2cc(Nc3ccccc3)ccc2c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DTFZXNJFEIZTJR-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DTFZXNJFEIZTJR-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC\\\\C=C/C\\\\C=C/C\\\\C=C/CCCCCCCC(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 152412, &quot;data-inchi_base&quot;: &quot;DTOSIQBPPRVQHS-PDBXOOCHSA&quot;, &quot;mols2grid-id&quot;: 226, &quot;data-Ligand_InChI_Key&quot;: &quot;DTOSIQBPPRVQHS-PDBXOOCHSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 226, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;152412&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC\\\\C=C/C\\\\C=C/C\\\\C=C/CCCCCCCC(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DTOSIQBPPRVQHS-PDBXOOCHSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DTOSIQBPPRVQHS-PDBXOOCHSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC\\\\C=C/C\\\\C=C/C\\\\C=C/CCCCCCCC([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51093808, &quot;data-inchi_base&quot;: &quot;DTOSIQBPPRVQHS-PDBXOOCHSA&quot;, &quot;mols2grid-id&quot;: 227, &quot;data-Ligand_InChI_Key&quot;: &quot;DTOSIQBPPRVQHS-PDBXOOCHSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 227, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51093808&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC\\\\C=C/C\\\\C=C/C\\\\C=C/CCCCCCCC([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DTOSIQBPPRVQHS-PDBXOOCHSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DTOSIQBPPRVQHS-PDBXOOCHSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COC(=O)[C@@H]([C@H]1CCCC[NH2+]1)c1ccccc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50069156, &quot;data-inchi_base&quot;: &quot;DUGOZIWVEXMGBE-CHWSQXEVSA&quot;, &quot;mols2grid-id&quot;: 228, &quot;data-Ligand_InChI_Key&quot;: &quot;DUGOZIWVEXMGBE-CHWSQXEVSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 228, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50069156&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COC(=O)[C@@H]([C@H]1CCCC[NH2+]1)c1ccccc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DUGOZIWVEXMGBE-CHWSQXEVSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DUGOZIWVEXMGBE-CHWSQXEVSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COC(=O)[C@@H]([C@H]1CCCCN1)c1ccccc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 183390, &quot;data-inchi_base&quot;: &quot;DUGOZIWVEXMGBE-CHWSQXEVSA&quot;, &quot;mols2grid-id&quot;: 229, &quot;data-Ligand_InChI_Key&quot;: &quot;DUGOZIWVEXMGBE-CHWSQXEVSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 229, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;183390&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COC(=O)[C@@H]([C@H]1CCCCN1)c1ccccc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DUGOZIWVEXMGBE-CHWSQXEVSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DUGOZIWVEXMGBE-CHWSQXEVSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Oc1ccc(\\\\C=C\\\\c2cc(O)cc(OS(O)(=O)=O)c2)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50524466, &quot;data-inchi_base&quot;: &quot;DULQFFCIVGYOFH-OWOJBTEDSA&quot;, &quot;mols2grid-id&quot;: 230, &quot;data-Ligand_InChI_Key&quot;: &quot;DULQFFCIVGYOFH-OWOJBTEDSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 230, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50524466&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Oc1ccc(\\\\C=C\\\\c2cc(O)cc(OS(O)(=O)=O)c2)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DULQFFCIVGYOFH-OWOJBTEDSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DULQFFCIVGYOFH-OWOJBTEDSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Oc1ccc(\\\\C=C\\\\c2cc(O)cc(OS([O-])(=O)=O)c2)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50586138, &quot;data-inchi_base&quot;: &quot;DULQFFCIVGYOFH-OWOJBTEDSA&quot;, &quot;mols2grid-id&quot;: 231, &quot;data-Ligand_InChI_Key&quot;: &quot;DULQFFCIVGYOFH-OWOJBTEDSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 231, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50586138&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Oc1ccc(\\\\C=C\\\\c2cc(O)cc(OS([O-])(=O)=O)c2)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DULQFFCIVGYOFH-OWOJBTEDSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DULQFFCIVGYOFH-OWOJBTEDSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[Na+].OC(=O)\\\\C=C\\\\c1c([nH]c2cc(Cl)cc(Cl)c12)C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51150607, &quot;data-inchi_base&quot;: &quot;DUTADUJHYPRQPG-OWOJBTEDSA&quot;, &quot;mols2grid-id&quot;: 232, &quot;data-Ligand_InChI_Key&quot;: &quot;DUTADUJHYPRQPG-OWOJBTEDSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 232, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51150607&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[Na+].OC(=O)\\\\C=C\\\\c1c([nH]c2cc(Cl)cc(Cl)c12)C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DUTADUJHYPRQPG-OWOJBTEDSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DUTADUJHYPRQPG-OWOJBTEDSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)\\\\C=C\\\\c1c([nH]c2cc(Cl)cc(Cl)c12)C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51096227, &quot;data-inchi_base&quot;: &quot;DUTADUJHYPRQPG-OWOJBTEDSA&quot;, &quot;mols2grid-id&quot;: 233, &quot;data-Ligand_InChI_Key&quot;: &quot;DUTADUJHYPRQPG-OWOJBTEDSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 233, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51096227&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)\\\\C=C\\\\c1c([nH]c2cc(Cl)cc(Cl)c12)C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DUTADUJHYPRQPG-OWOJBTEDSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DUTADUJHYPRQPG-OWOJBTEDSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)Cc1c[nH]c2ccc(O)cc12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51096251, &quot;data-inchi_base&quot;: &quot;DUUGKQCEGZLZNO-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 234, &quot;data-Ligand_InChI_Key&quot;: &quot;DUUGKQCEGZLZNO-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 234, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51096251&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)Cc1c[nH]c2ccc(O)cc12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DUUGKQCEGZLZNO-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DUUGKQCEGZLZNO-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Oc1ccc2[nH]cc(CC([O-])=O)c2c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 78621, &quot;data-inchi_base&quot;: &quot;DUUGKQCEGZLZNO-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 235, &quot;data-Ligand_InChI_Key&quot;: &quot;DUUGKQCEGZLZNO-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 235, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;78621&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Oc1ccc2[nH]cc(CC([O-])=O)c2c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DUUGKQCEGZLZNO-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DUUGKQCEGZLZNO-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(cc12)C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 984661, &quot;data-inchi_base&quot;: &quot;DXCNZUZZASQWAZ-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 236, &quot;data-Ligand_InChI_Key&quot;: &quot;DXCNZUZZASQWAZ-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 236, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;984661&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(cc12)C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DXCNZUZZASQWAZ-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DXCNZUZZASQWAZ-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(cc12)C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 984673, &quot;data-inchi_base&quot;: &quot;DXCNZUZZASQWAZ-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 237, &quot;data-Ligand_InChI_Key&quot;: &quot;DXCNZUZZASQWAZ-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 237, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;984673&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(cc12)C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DXCNZUZZASQWAZ-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DXCNZUZZASQWAZ-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Cc1cccc2O[C@H]3CCN4CCC[C@@H]4[C@H]3C(=O)c12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51308679, &quot;data-inchi_base&quot;: &quot;DXTYYNIKCKARPP-OSAQELSMSA&quot;, &quot;mols2grid-id&quot;: 238, &quot;data-Ligand_InChI_Key&quot;: &quot;DXTYYNIKCKARPP-OSAQELSMSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 238, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51308679&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cc1cccc2O[C@H]3CCN4CCC[C@@H]4[C@H]3C(=O)c12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DXTYYNIKCKARPP-OSAQELSMSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DXTYYNIKCKARPP-OSAQELSMSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Cc1cccc2O[C@H]3CC[NH+]4CCC[C@@H]4[C@H]3C(=O)c12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50208171, &quot;data-inchi_base&quot;: &quot;DXTYYNIKCKARPP-OSAQELSMSA&quot;, &quot;mols2grid-id&quot;: 239, &quot;data-Ligand_InChI_Key&quot;: &quot;DXTYYNIKCKARPP-OSAQELSMSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 239, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50208171&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cc1cccc2O[C@H]3CC[NH+]4CCC[C@@H]4[C@H]3C(=O)c12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DXTYYNIKCKARPP-OSAQELSMSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;DXTYYNIKCKARPP-OSAQELSMSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC1CCCN(C1)c1ncc(cn1)C#Cc1csc(C)n1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 229452, &quot;data-inchi_base&quot;: &quot;FBGBUEGTKNWRDU-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 240, &quot;data-Ligand_InChI_Key&quot;: &quot;FBGBUEGTKNWRDU-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 240, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;229452&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC1CCCN(C1)c1ncc(cn1)C#Cc1csc(C)n1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FBGBUEGTKNWRDU-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FBGBUEGTKNWRDU-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC1CCCN(C1)c1ncc(cn1)C#Cc1csc(C)[nH+]1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 229531, &quot;data-inchi_base&quot;: &quot;FBGBUEGTKNWRDU-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 241, &quot;data-Ligand_InChI_Key&quot;: &quot;FBGBUEGTKNWRDU-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 241, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;229531&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC1CCCN(C1)c1ncc(cn1)C#Cc1csc(C)[nH+]1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FBGBUEGTKNWRDU-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FBGBUEGTKNWRDU-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(CP([O-])([O-])=O)cc1)C(=O)N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)C(=O)N[C@@H](CCC(O)=O)C(=O)NC1(CC1)C(=O)N[C@@H](CC(C)C)C(N)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50810869, &quot;data-inchi_base&quot;: &quot;FBKFDSUZBVDZIX-FFGDOFBPSA&quot;, &quot;mols2grid-id&quot;: 242, &quot;data-Ligand_InChI_Key&quot;: &quot;FBKFDSUZBVDZIX-FFGDOFBPSA-L&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 242, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50810869&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(CP([O-])([O-])=O)cc1)C(=O)N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)C(=O)N[C@@H](CCC(O)=O)C(=O)NC1(CC1)C(=O)N[C@@H](CC(C)C)C(N)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FBKFDSUZBVDZIX-FFGDOFBPSA-L&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FBKFDSUZBVDZIX-FFGDOFBPSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(CP(O)(O)=O)cc1)C(=O)N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)C(=O)N[C@@H](CCC(O)=O)C(=O)NC1(CC1)C(=O)N[C@@H](CC(C)C)C(N)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51139831, &quot;data-inchi_base&quot;: &quot;FBKFDSUZBVDZIX-FFGDOFBPSA&quot;, &quot;mols2grid-id&quot;: 243, &quot;data-Ligand_InChI_Key&quot;: &quot;FBKFDSUZBVDZIX-FFGDOFBPSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 243, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51139831&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(CP(O)(O)=O)cc1)C(=O)N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)C(=O)N[C@@H](CCC(O)=O)C(=O)NC1(CC1)C(=O)N[C@@H](CC(C)C)C(N)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FBKFDSUZBVDZIX-FFGDOFBPSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FBKFDSUZBVDZIX-FFGDOFBPSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COC(=O)c1ccccc1-c1c2ccc(N)cc2oc2cc(=N)ccc12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50809202, &quot;data-inchi_base&quot;: &quot;FCGVBHISQBBIQF-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 244, &quot;data-Ligand_InChI_Key&quot;: &quot;FCGVBHISQBBIQF-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 244, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50809202&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COC(=O)c1ccccc1-c1c2ccc(N)cc2oc2cc(=N)ccc12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FCGVBHISQBBIQF-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FCGVBHISQBBIQF-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COC(=O)c1ccccc1-c1c2ccc(N)cc2oc2cc(=[NH2+])ccc12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 133733, &quot;data-inchi_base&quot;: &quot;FCGVBHISQBBIQF-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 245, &quot;data-Ligand_InChI_Key&quot;: &quot;FCGVBHISQBBIQF-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 245, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;133733&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COC(=O)c1ccccc1-c1c2ccc(N)cc2oc2cc(=[NH2+])ccc12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FCGVBHISQBBIQF-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FCGVBHISQBBIQF-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[O-]C(=O)c1cc(on1)C(=O)CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 290459, &quot;data-inchi_base&quot;: &quot;FCMXVOTUPTZEMF-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 246, &quot;data-Ligand_InChI_Key&quot;: &quot;FCMXVOTUPTZEMF-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 246, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;290459&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[O-]C(=O)c1cc(on1)C(=O)CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FCMXVOTUPTZEMF-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FCMXVOTUPTZEMF-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)c1cc(on1)C(=O)CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 716027, &quot;data-inchi_base&quot;: &quot;FCMXVOTUPTZEMF-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 247, &quot;data-Ligand_InChI_Key&quot;: &quot;FCMXVOTUPTZEMF-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 247, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;716027&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)c1cc(on1)C(=O)CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FCMXVOTUPTZEMF-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FCMXVOTUPTZEMF-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCCCN(CCCC)S(=O)(=O)[N-]C(=O)Nc1c(cccc1C(C)C)C(C)C&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50779846, &quot;data-inchi_base&quot;: &quot;FDLKBWYKGNYCOB-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 248, &quot;data-Ligand_InChI_Key&quot;: &quot;FDLKBWYKGNYCOB-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 248, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50779846&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCCN(CCCC)S(=O)(=O)[N-]C(=O)Nc1c(cccc1C(C)C)C(C)C&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FDLKBWYKGNYCOB-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FDLKBWYKGNYCOB-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCCCN(CCCC)S(=O)(=O)NC(=O)Nc1c(cccc1C(C)C)C(C)C&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50779771, &quot;data-inchi_base&quot;: &quot;FDLKBWYKGNYCOB-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 249, &quot;data-Ligand_InChI_Key&quot;: &quot;FDLKBWYKGNYCOB-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 249, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50779771&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCCN(CCCC)S(=O)(=O)NC(=O)Nc1c(cccc1C(C)C)C(C)C&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FDLKBWYKGNYCOB-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FDLKBWYKGNYCOB-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;NC(=[NH2+])c1cc2cc([nH]c2cc1Cl)-c1cccc(-c2ccccc2)c1O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 25518, &quot;data-inchi_base&quot;: &quot;FEKRWNWZMOSVBX-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 250, &quot;data-Ligand_InChI_Key&quot;: &quot;FEKRWNWZMOSVBX-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 250, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;25518&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NC(=[NH2+])c1cc2cc([nH]c2cc1Cl)-c1cccc(-c2ccccc2)c1O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FEKRWNWZMOSVBX-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FEKRWNWZMOSVBX-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;NC(=N)c1cc2cc([nH]c2cc1Cl)-c1cccc(-c2ccccc2)c1O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50192555, &quot;data-inchi_base&quot;: &quot;FEKRWNWZMOSVBX-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 251, &quot;data-Ligand_InChI_Key&quot;: &quot;FEKRWNWZMOSVBX-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 251, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50192555&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NC(=N)c1cc2cc([nH]c2cc1Cl)-c1cccc(-c2ccccc2)c1O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FEKRWNWZMOSVBX-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FEKRWNWZMOSVBX-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCCC([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 433123, &quot;data-inchi_base&quot;: &quot;FERIUCNNQQJTOY-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 252, &quot;data-Ligand_InChI_Key&quot;: &quot;FERIUCNNQQJTOY-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 252, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;433123&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCC([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FERIUCNNQQJTOY-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FERIUCNNQQJTOY-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCCC(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 47446, &quot;data-inchi_base&quot;: &quot;FERIUCNNQQJTOY-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 253, &quot;data-Ligand_InChI_Key&quot;: &quot;FERIUCNNQQJTOY-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 253, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;47446&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCC(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FERIUCNNQQJTOY-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FERIUCNNQQJTOY-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[O-]C(=O)c1ccccc1Cc1ccccc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 201866, &quot;data-inchi_base&quot;: &quot;FESDHLLVLYZNFY-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 254, &quot;data-Ligand_InChI_Key&quot;: &quot;FESDHLLVLYZNFY-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 254, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;201866&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[O-]C(=O)c1ccccc1Cc1ccccc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FESDHLLVLYZNFY-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FESDHLLVLYZNFY-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)c1ccccc1Cc1ccccc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50431977, &quot;data-inchi_base&quot;: &quot;FESDHLLVLYZNFY-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 255, &quot;data-Ligand_InChI_Key&quot;: &quot;FESDHLLVLYZNFY-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 255, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50431977&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)c1ccccc1Cc1ccccc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FESDHLLVLYZNFY-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FESDHLLVLYZNFY-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCCC[P+](CCCC)(CCCC)Cc1ccc(NC(=O)CN\\\\C(NC(C)C)=[NH+]\\\\C(C)C)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50764986, &quot;data-inchi_base&quot;: &quot;FEXLZEOYKDNLKR-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 256, &quot;data-Ligand_InChI_Key&quot;: &quot;FEXLZEOYKDNLKR-UHFFFAOYSA-P&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 256, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50764986&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCC[P+](CCCC)(CCCC)Cc1ccc(NC(=O)CN\\\\C(NC(C)C)=[NH+]\\\\C(C)C)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FEXLZEOYKDNLKR-UHFFFAOYSA-P&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FEXLZEOYKDNLKR-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCCC[P+](CCCC)(CCCC)Cc1ccc(NC(=O)CNC(NC(C)C)=NC(C)C)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50725033, &quot;data-inchi_base&quot;: &quot;FEXLZEOYKDNLKR-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 257, &quot;data-Ligand_InChI_Key&quot;: &quot;FEXLZEOYKDNLKR-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 257, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50725033&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCC[P+](CCCC)(CCCC)Cc1ccc(NC(=O)CNC(NC(C)C)=NC(C)C)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FEXLZEOYKDNLKR-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FEXLZEOYKDNLKR-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;NC(=O)OP(O)(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50300260, &quot;data-inchi_base&quot;: &quot;FFQKYPRQEYGKAF-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 258, &quot;data-Ligand_InChI_Key&quot;: &quot;FFQKYPRQEYGKAF-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 258, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50300260&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NC(=O)OP(O)(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FFQKYPRQEYGKAF-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FFQKYPRQEYGKAF-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;NC(=O)OP([O-])([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50285636, &quot;data-inchi_base&quot;: &quot;FFQKYPRQEYGKAF-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 259, &quot;data-Ligand_InChI_Key&quot;: &quot;FFQKYPRQEYGKAF-UHFFFAOYSA-L&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 259, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50285636&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NC(=O)OP([O-])([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FFQKYPRQEYGKAF-UHFFFAOYSA-L&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FFQKYPRQEYGKAF-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[O-][n+]1ccccc1[S-]&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 1223468, &quot;data-inchi_base&quot;: &quot;FGVVTMRZYROCTH-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 260, &quot;data-Ligand_InChI_Key&quot;: &quot;FGVVTMRZYROCTH-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 260, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;1223468&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[O-][n+]1ccccc1[S-]&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FGVVTMRZYROCTH-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FGVVTMRZYROCTH-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[O-][n+]1ccccc1S&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50721963, &quot;data-inchi_base&quot;: &quot;FGVVTMRZYROCTH-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 261, &quot;data-Ligand_InChI_Key&quot;: &quot;FGVVTMRZYROCTH-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 261, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50721963&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[O-][n+]1ccccc1S&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FGVVTMRZYROCTH-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FGVVTMRZYROCTH-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[n+]1cn([C@@H]2O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c3nc(N)[nH]c4=O)[C@@H](O)[C@H]2O)c2nc(N)[n-]c(=O)c12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50508567, &quot;data-inchi_base&quot;: &quot;FHHZHGZBHYYWTG-INFSMZHSSA&quot;, &quot;mols2grid-id&quot;: 262, &quot;data-Ligand_InChI_Key&quot;: &quot;FHHZHGZBHYYWTG-INFSMZHSSA-K&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 262, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50508567&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[n+]1cn([C@@H]2O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c3nc(N)[nH]c4=O)[C@@H](O)[C@H]2O)c2nc(N)[n-]c(=O)c12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FHHZHGZBHYYWTG-INFSMZHSSA-K&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FHHZHGZBHYYWTG-INFSMZHSSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[n+]1cn([C@@H]2O[C@H](COP(O)(=O)OP([O-])(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c3nc(N)[nH]c4=O)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50393443, &quot;data-inchi_base&quot;: &quot;FHHZHGZBHYYWTG-INFSMZHSSA&quot;, &quot;mols2grid-id&quot;: 263, &quot;data-Ligand_InChI_Key&quot;: &quot;FHHZHGZBHYYWTG-INFSMZHSSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 263, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50393443&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[n+]1cn([C@@H]2O[C@H](COP(O)(=O)OP([O-])(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c3nc(N)[nH]c4=O)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FHHZHGZBHYYWTG-INFSMZHSSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FHHZHGZBHYYWTG-INFSMZHSSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Cc1ccc(cc1NC(=O)c1cccc(NC(=O)Nc2cccc(c2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c3cc(cc(c23)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)c1)C(=O)Nc1ccc(c2cc(cc(c12)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 173666, &quot;data-inchi_base&quot;: &quot;FIAFUQMPZJWCLV-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 264, &quot;data-Ligand_InChI_Key&quot;: &quot;FIAFUQMPZJWCLV-UHFFFAOYSA-H&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 264, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;173666&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cc1ccc(cc1NC(=O)c1cccc(NC(=O)Nc2cccc(c2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c3cc(cc(c23)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)c1)C(=O)Nc1ccc(c2cc(cc(c12)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FIAFUQMPZJWCLV-UHFFFAOYSA-H&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FIAFUQMPZJWCLV-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Cc1ccc(cc1NC(=O)c1cccc(NC(=O)Nc2cccc(c2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c3cc(cc(c23)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)c1)C(=O)Nc1ccc(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 246981, &quot;data-inchi_base&quot;: &quot;FIAFUQMPZJWCLV-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 265, &quot;data-Ligand_InChI_Key&quot;: &quot;FIAFUQMPZJWCLV-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 265, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;246981&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cc1ccc(cc1NC(=O)c1cccc(NC(=O)Nc2cccc(c2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c3cc(cc(c23)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)c1)C(=O)Nc1ccc(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FIAFUQMPZJWCLV-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FIAFUQMPZJWCLV-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;NCc1cccc(c1)-c1cc(CNc2ccccc2CC([O-])=O)cc2ccoc12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 1298106, &quot;data-inchi_base&quot;: &quot;FIDARHIZAFVGNJ-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 266, &quot;data-Ligand_InChI_Key&quot;: &quot;FIDARHIZAFVGNJ-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 266, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;1298106&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NCc1cccc(c1)-c1cc(CNc2ccccc2CC([O-])=O)cc2ccoc12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FIDARHIZAFVGNJ-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FIDARHIZAFVGNJ-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;NCc1cccc(c1)-c1cc(CNc2ccccc2CC(O)=O)cc2ccoc12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 1180608, &quot;data-inchi_base&quot;: &quot;FIDARHIZAFVGNJ-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 267, &quot;data-Ligand_InChI_Key&quot;: &quot;FIDARHIZAFVGNJ-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 267, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;1180608&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NCc1cccc(c1)-c1cc(CNc2ccccc2CC(O)=O)cc2ccoc12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FIDARHIZAFVGNJ-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FIDARHIZAFVGNJ-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Oc1ccc(cc1)C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50630290, &quot;data-inchi_base&quot;: &quot;FJKROLUGYXJWQN-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 268, &quot;data-Ligand_InChI_Key&quot;: &quot;FJKROLUGYXJWQN-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 268, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50630290&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Oc1ccc(cc1)C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FJKROLUGYXJWQN-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FJKROLUGYXJWQN-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)c1ccc(O)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 47552, &quot;data-inchi_base&quot;: &quot;FJKROLUGYXJWQN-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 269, &quot;data-Ligand_InChI_Key&quot;: &quot;FJKROLUGYXJWQN-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 269, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;47552&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)c1ccc(O)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FJKROLUGYXJWQN-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FJKROLUGYXJWQN-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(C)n1c(\\\\C=C\\\\[C@@H](O)C[C@@H](O)CC(O)=O)c(-c2ccc(F)cc2)c2ccccc12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 188958, &quot;data-inchi_base&quot;: &quot;FJLGEFLZQAZZCD-MCBHFWOFSA&quot;, &quot;mols2grid-id&quot;: 270, &quot;data-Ligand_InChI_Key&quot;: &quot;FJLGEFLZQAZZCD-MCBHFWOFSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 270, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;188958&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(C)n1c(\\\\C=C\\\\[C@@H](O)C[C@@H](O)CC(O)=O)c(-c2ccc(F)cc2)c2ccccc12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FJLGEFLZQAZZCD-MCBHFWOFSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FJLGEFLZQAZZCD-MCBHFWOFSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(C)n1c(\\\\C=C\\\\[C@@H](O)C[C@@H](O)CC([O-])=O)c(-c2ccc(F)cc2)c2ccccc12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 212095, &quot;data-inchi_base&quot;: &quot;FJLGEFLZQAZZCD-MCBHFWOFSA&quot;, &quot;mols2grid-id&quot;: 271, &quot;data-Ligand_InChI_Key&quot;: &quot;FJLGEFLZQAZZCD-MCBHFWOFSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 271, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;212095&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(C)n1c(\\\\C=C\\\\[C@@H](O)C[C@@H](O)CC([O-])=O)c(-c2ccc(F)cc2)c2ccccc12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FJLGEFLZQAZZCD-MCBHFWOFSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FJLGEFLZQAZZCD-MCBHFWOFSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[C@@H]([NH3+])Cc1c2CCOc2c(Br)c2CCOc12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50177089, &quot;data-inchi_base&quot;: &quot;FKRREVSELFOLDT-SSDOTTSWSA&quot;, &quot;mols2grid-id&quot;: 272, &quot;data-Ligand_InChI_Key&quot;: &quot;FKRREVSELFOLDT-SSDOTTSWSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 272, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50177089&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[C@@H]([NH3+])Cc1c2CCOc2c(Br)c2CCOc12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FKRREVSELFOLDT-SSDOTTSWSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FKRREVSELFOLDT-SSDOTTSWSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[C@@H](N)Cc1c2CCOc2c(Br)c2CCOc12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50052582, &quot;data-inchi_base&quot;: &quot;FKRREVSELFOLDT-SSDOTTSWSA&quot;, &quot;mols2grid-id&quot;: 273, &quot;data-Ligand_InChI_Key&quot;: &quot;FKRREVSELFOLDT-SSDOTTSWSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 273, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50052582&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[C@@H](N)Cc1c2CCOc2c(Br)c2CCOc12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FKRREVSELFOLDT-SSDOTTSWSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FKRREVSELFOLDT-SSDOTTSWSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(C)=CCC\\\\C(C)=C/CC(CC=C(C)C)(P([O-])([O-])=O)P([O-])([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50865706, &quot;data-inchi_base&quot;: &quot;FNYHAYNWVHCDNF-GDNBJRDFSA&quot;, &quot;mols2grid-id&quot;: 274, &quot;data-Ligand_InChI_Key&quot;: &quot;FNYHAYNWVHCDNF-GDNBJRDFSA-J&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 274, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50865706&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(C)=CCC\\\\C(C)=C/CC(CC=C(C)C)(P([O-])([O-])=O)P([O-])([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FNYHAYNWVHCDNF-GDNBJRDFSA-J&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FNYHAYNWVHCDNF-GDNBJRDFSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(C)=CCC\\\\C(C)=C/CC(CC=C(C)C)(P(O)(O)=O)P(O)(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50858919, &quot;data-inchi_base&quot;: &quot;FNYHAYNWVHCDNF-GDNBJRDFSA&quot;, &quot;mols2grid-id&quot;: 275, &quot;data-Ligand_InChI_Key&quot;: &quot;FNYHAYNWVHCDNF-GDNBJRDFSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 275, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50858919&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(C)=CCC\\\\C(C)=C/CC(CC=C(C)C)(P(O)(O)=O)P(O)(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FNYHAYNWVHCDNF-GDNBJRDFSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FNYHAYNWVHCDNF-GDNBJRDFSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1cc(c(OC(=O)NS(=O)(=O)Oc2c(cccc2C(C)C)C(C)C)c(c1)C(C)(C)C)C(C)(C)C&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50779868, &quot;data-inchi_base&quot;: &quot;FPAYIQXVZJIBQY-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 276, &quot;data-Ligand_InChI_Key&quot;: &quot;FPAYIQXVZJIBQY-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 276, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50779868&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1cc(c(OC(=O)NS(=O)(=O)Oc2c(cccc2C(C)C)C(C)C)c(c1)C(C)(C)C)C(C)(C)C&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FPAYIQXVZJIBQY-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FPAYIQXVZJIBQY-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1cc(c(OC(=O)[N-]S(=O)(=O)Oc2c(cccc2C(C)C)C(C)C)c(c1)C(C)(C)C)C(C)(C)C&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50779793, &quot;data-inchi_base&quot;: &quot;FPAYIQXVZJIBQY-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 277, &quot;data-Ligand_InChI_Key&quot;: &quot;FPAYIQXVZJIBQY-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 277, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50779793&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1cc(c(OC(=O)[N-]S(=O)(=O)Oc2c(cccc2C(C)C)C(C)C)c(c1)C(C)(C)C)C(C)(C)C&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FPAYIQXVZJIBQY-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FPAYIQXVZJIBQY-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Nc1ccn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3ccc(=O)[nH]c3=O)O2)c(=O)n1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50843480, &quot;data-inchi_base&quot;: &quot;FPNPSEMJLALQSA-MIYUEGBISA&quot;, &quot;mols2grid-id&quot;: 278, &quot;data-Ligand_InChI_Key&quot;: &quot;FPNPSEMJLALQSA-MIYUEGBISA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 278, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50843480&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Nc1ccn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3ccc(=O)[nH]c3=O)O2)c(=O)n1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FPNPSEMJLALQSA-MIYUEGBISA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FPNPSEMJLALQSA-MIYUEGBISA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Nc1ccn([C@H]2C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3ccc(=O)[nH]c3=O)O2)c(=O)n1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50172565, &quot;data-inchi_base&quot;: &quot;FPNPSEMJLALQSA-MIYUEGBISA&quot;, &quot;mols2grid-id&quot;: 279, &quot;data-Ligand_InChI_Key&quot;: &quot;FPNPSEMJLALQSA-MIYUEGBISA-J&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 279, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50172565&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Nc1ccn([C@H]2C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3ccc(=O)[nH]c3=O)O2)c(=O)n1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FPNPSEMJLALQSA-MIYUEGBISA-J&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FPNPSEMJLALQSA-MIYUEGBISA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Cn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)c4ccn(c4C(F)(F)F)-c4ccccc4)cc3F)c2s1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50347056, &quot;data-inchi_base&quot;: &quot;FTSUPYGMFAPCFZ-ZWNOBZJWSA&quot;, &quot;mols2grid-id&quot;: 280, &quot;data-Ligand_InChI_Key&quot;: &quot;FTSUPYGMFAPCFZ-ZWNOBZJWSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 280, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50347056&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)c4ccn(c4C(F)(F)F)-c4ccccc4)cc3F)c2s1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FTSUPYGMFAPCFZ-ZWNOBZJWSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FTSUPYGMFAPCFZ-ZWNOBZJWSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 155243, &quot;data-inchi_base&quot;: &quot;FTSUPYGMFAPCFZ-ZWNOBZJWSA&quot;, &quot;mols2grid-id&quot;: 281, &quot;data-Ligand_InChI_Key&quot;: &quot;FTSUPYGMFAPCFZ-ZWNOBZJWSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 281, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;155243&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FTSUPYGMFAPCFZ-ZWNOBZJWSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FTSUPYGMFAPCFZ-ZWNOBZJWSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[O-]C(=O)CCC(=O)Nc1ccc(NC(=O)c2ccc(o2)[N+]([O-])=O)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 310265, &quot;data-inchi_base&quot;: &quot;FTYOYTKJAKKTPA-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 282, &quot;data-Ligand_InChI_Key&quot;: &quot;FTYOYTKJAKKTPA-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 282, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;310265&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[O-]C(=O)CCC(=O)Nc1ccc(NC(=O)c2ccc(o2)[N+]([O-])=O)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FTYOYTKJAKKTPA-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FTYOYTKJAKKTPA-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COC(=O)CCC(=O)Nc1ccc(NC(=O)c2ccc(o2)[N+]([O-])=O)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 310257, &quot;data-inchi_base&quot;: &quot;FTYOYTKJAKKTPA-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 283, &quot;data-Ligand_InChI_Key&quot;: &quot;FTYOYTKJAKKTPA-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 283, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;310257&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COC(=O)CCC(=O)Nc1ccc(NC(=O)c2ccc(o2)[N+]([O-])=O)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FTYOYTKJAKKTPA-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FTYOYTKJAKKTPA-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;N[C@@H](Cc1cccs1)C(=O)N[C@@]1(C[C@@H]1c1ccccc1)C#N&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50558689, &quot;data-inchi_base&quot;: &quot;FUYOZZGSCQXNCB-VYDXJSESSA&quot;, &quot;mols2grid-id&quot;: 284, &quot;data-Ligand_InChI_Key&quot;: &quot;FUYOZZGSCQXNCB-VYDXJSESSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 284, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50558689&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;N[C@@H](Cc1cccs1)C(=O)N[C@@]1(C[C@@H]1c1ccccc1)C#N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FUYOZZGSCQXNCB-VYDXJSESSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FUYOZZGSCQXNCB-VYDXJSESSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[NH3+][C@@H](Cc1cccs1)C(=O)N[C@@]1(C[C@@H]1c1ccccc1)C#N&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50078463, &quot;data-inchi_base&quot;: &quot;FUYOZZGSCQXNCB-VYDXJSESSA&quot;, &quot;mols2grid-id&quot;: 285, &quot;data-Ligand_InChI_Key&quot;: &quot;FUYOZZGSCQXNCB-VYDXJSESSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 285, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50078463&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[NH3+][C@@H](Cc1cccs1)C(=O)N[C@@]1(C[C@@H]1c1ccccc1)C#N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FUYOZZGSCQXNCB-VYDXJSESSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FUYOZZGSCQXNCB-VYDXJSESSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OS(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 294318, &quot;data-inchi_base&quot;: &quot;FWEOQOXTVHGIFQ-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 286, &quot;data-Ligand_InChI_Key&quot;: &quot;FWEOQOXTVHGIFQ-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 286, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;294318&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OS(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FWEOQOXTVHGIFQ-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FWEOQOXTVHGIFQ-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[O-]S(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 78625, &quot;data-inchi_base&quot;: &quot;FWEOQOXTVHGIFQ-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 287, &quot;data-Ligand_InChI_Key&quot;: &quot;FWEOQOXTVHGIFQ-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 287, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;78625&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[O-]S(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FWEOQOXTVHGIFQ-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FWEOQOXTVHGIFQ-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCC1=CC2CC(C1)c1c(C2)nc2cc(C)ccc2c1N&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50790408, &quot;data-inchi_base&quot;: &quot;FWOPZBFHVIAVRG-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 288, &quot;data-Ligand_InChI_Key&quot;: &quot;FWOPZBFHVIAVRG-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 288, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50790408&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCC1=CC2CC(C1)c1c(C2)nc2cc(C)ccc2c1N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FWOPZBFHVIAVRG-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FWOPZBFHVIAVRG-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCC1=C[C@H]2C[C@@H](C1)c1c(C2)[nH+]c2cc(C)ccc2c1N&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50840656, &quot;data-inchi_base&quot;: &quot;FWOPZBFHVIAVRG-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 289, &quot;data-Ligand_InChI_Key&quot;: &quot;FWOPZBFHVIAVRG-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 289, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50840656&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCC1=C[C@H]2C[C@@H](C1)c1c(C2)[nH+]c2cc(C)ccc2c1N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FWOPZBFHVIAVRG-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FWOPZBFHVIAVRG-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)[C@@H](CC(O)=O)[C@H](\\\\C=C\\\\C[C@@H](Cc2cccc3ccccc23)CNC1=O)c1ccc(cc1)C(C(O)=O)C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51437947, &quot;data-inchi_base&quot;: &quot;FYIJOFSDJMOTGX-SPRVXXEPSA&quot;, &quot;mols2grid-id&quot;: 290, &quot;data-Ligand_InChI_Key&quot;: &quot;FYIJOFSDJMOTGX-SPRVXXEPSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 290, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51437947&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)[C@@H](CC(O)=O)[C@H](\\\\C=C\\\\C[C@@H](Cc2cccc3ccccc23)CNC1=O)c1ccc(cc1)C(C(O)=O)C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FYIJOFSDJMOTGX-SPRVXXEPSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FYIJOFSDJMOTGX-SPRVXXEPSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)[C@@H](CC(O)=O)[C@H](\\\\C=C\\\\C[C@@H](Cc2cccc3ccccc23)CNC1=O)c1ccc(cc1)C(C([O-])=O)C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50264695, &quot;data-inchi_base&quot;: &quot;FYIJOFSDJMOTGX-SPRVXXEPSA&quot;, &quot;mols2grid-id&quot;: 291, &quot;data-Ligand_InChI_Key&quot;: &quot;FYIJOFSDJMOTGX-SPRVXXEPSA-L&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 291, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50264695&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)[C@@H](CC(O)=O)[C@H](\\\\C=C\\\\C[C@@H](Cc2cccc3ccccc23)CNC1=O)c1ccc(cc1)C(C([O-])=O)C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FYIJOFSDJMOTGX-SPRVXXEPSA-L&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FYIJOFSDJMOTGX-SPRVXXEPSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[NH+]1C[C@@H](c2cccc(c2)S(=O)(=O)NCCOCCOCCNC(=O)Nc2ccc(NC(=O)NCCOCCOCCNS(=O)(=O)c3cccc(c3)[C@@H]3C[NH+](C)Cc4c(Cl)cc(Cl)cc34)cc2)c2cc(Cl)cc(Cl)c2C1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 860149, &quot;data-inchi_base&quot;: &quot;FZUDFYJYAGEEMC-ZYBCLOSLSA&quot;, &quot;mols2grid-id&quot;: 292, &quot;data-Ligand_InChI_Key&quot;: &quot;FZUDFYJYAGEEMC-ZYBCLOSLSA-P&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 292, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;860149&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[NH+]1C[C@@H](c2cccc(c2)S(=O)(=O)NCCOCCOCCNC(=O)Nc2ccc(NC(=O)NCCOCCOCCNS(=O)(=O)c3cccc(c3)[C@@H]3C[NH+](C)Cc4c(Cl)cc(Cl)cc34)cc2)c2cc(Cl)cc(Cl)c2C1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FZUDFYJYAGEEMC-ZYBCLOSLSA-P&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FZUDFYJYAGEEMC-ZYBCLOSLSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CN1C[C@@H](c2cccc(c2)S(=O)(=O)NCCOCCOCCNC(=O)Nc2ccc(NC(=O)NCCOCCOCCNS(=O)(=O)c3cccc(c3)[C@@H]3CN(C)Cc4c(Cl)cc(Cl)cc34)cc2)c2cc(Cl)cc(Cl)c2C1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 763249, &quot;data-inchi_base&quot;: &quot;FZUDFYJYAGEEMC-ZYBCLOSLSA&quot;, &quot;mols2grid-id&quot;: 293, &quot;data-Ligand_InChI_Key&quot;: &quot;FZUDFYJYAGEEMC-ZYBCLOSLSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 293, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;763249&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CN1C[C@@H](c2cccc(c2)S(=O)(=O)NCCOCCOCCNC(=O)Nc2ccc(NC(=O)NCCOCCOCCNS(=O)(=O)c3cccc(c3)[C@@H]3CN(C)Cc4c(Cl)cc(Cl)cc34)cc2)c2cc(Cl)cc(Cl)c2C1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FZUDFYJYAGEEMC-ZYBCLOSLSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FZUDFYJYAGEEMC-ZYBCLOSLSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)C(=O)CC(=O)c1cccc(CCC#N)c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50024276, &quot;data-inchi_base&quot;: &quot;FZYKLDPQTHCASB-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 294, &quot;data-Ligand_InChI_Key&quot;: &quot;FZYKLDPQTHCASB-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 294, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50024276&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)C(=O)CC(=O)c1cccc(CCC#N)c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FZYKLDPQTHCASB-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FZYKLDPQTHCASB-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[O-]C(=O)C(=O)CC(=O)c1cccc(CCC#N)c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50742271, &quot;data-inchi_base&quot;: &quot;FZYKLDPQTHCASB-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 295, &quot;data-Ligand_InChI_Key&quot;: &quot;FZYKLDPQTHCASB-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 295, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50742271&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[O-]C(=O)C(=O)CC(=O)c1cccc(CCC#N)c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FZYKLDPQTHCASB-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;FZYKLDPQTHCASB-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CSCC([NH3+])CS&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50058966, &quot;data-inchi_base&quot;: &quot;GADXTSWJIRSQST-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 296, &quot;data-Ligand_InChI_Key&quot;: &quot;GADXTSWJIRSQST-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 296, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50058966&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CSCC([NH3+])CS&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GADXTSWJIRSQST-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GADXTSWJIRSQST-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CSCC(N)CS&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51118992, &quot;data-inchi_base&quot;: &quot;GADXTSWJIRSQST-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 297, &quot;data-Ligand_InChI_Key&quot;: &quot;GADXTSWJIRSQST-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 297, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51118992&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CSCC(N)CS&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GADXTSWJIRSQST-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GADXTSWJIRSQST-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[K+].Oc1ccc(cc1C([O-])=O)-c1ccccc1COc1cccc(c1)C(F)(F)F&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51129034, &quot;data-inchi_base&quot;: &quot;GBUJCCFRKREBDP-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 298, &quot;data-Ligand_InChI_Key&quot;: &quot;GBUJCCFRKREBDP-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 298, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51129034&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[K+].Oc1ccc(cc1C([O-])=O)-c1ccccc1COc1cccc(c1)C(F)(F)F&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GBUJCCFRKREBDP-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GBUJCCFRKREBDP-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)c1cc(ccc1O)-c1ccccc1COc1cccc(c1)C(F)(F)F&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51095798, &quot;data-inchi_base&quot;: &quot;GBUJCCFRKREBDP-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 299, &quot;data-Ligand_InChI_Key&quot;: &quot;GBUJCCFRKREBDP-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 299, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51095798&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)c1cc(ccc1O)-c1ccccc1COc1cccc(c1)C(F)(F)F&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GBUJCCFRKREBDP-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GBUJCCFRKREBDP-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(CC\\\\C=C(/C)CCC=C(C)C)CC=C(P(O)(O)=O)P(O)(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50048339, &quot;data-inchi_base&quot;: &quot;GCIMOAWUDYGORG-NTEUORMPSA&quot;, &quot;mols2grid-id&quot;: 300, &quot;data-Ligand_InChI_Key&quot;: &quot;GCIMOAWUDYGORG-NTEUORMPSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 300, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50048339&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(CC\\\\C=C(/C)CCC=C(C)C)CC=C(P(O)(O)=O)P(O)(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GCIMOAWUDYGORG-NTEUORMPSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GCIMOAWUDYGORG-NTEUORMPSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(CC\\\\C=C(/C)CCC=C(C)C)CC=C(P([O-])([O-])=O)P([O-])([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50484006, &quot;data-inchi_base&quot;: &quot;GCIMOAWUDYGORG-NTEUORMPSA&quot;, &quot;mols2grid-id&quot;: 301, &quot;data-Ligand_InChI_Key&quot;: &quot;GCIMOAWUDYGORG-NTEUORMPSA-J&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 301, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50484006&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(CC\\\\C=C(/C)CCC=C(C)C)CC=C(P([O-])([O-])=O)P([O-])([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GCIMOAWUDYGORG-NTEUORMPSA-J&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GCIMOAWUDYGORG-NTEUORMPSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(CC\\\\C=C(\\\\C)CCC=C(C)C)CC=C(P(O)(O)=O)P(O)(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50858922, &quot;data-inchi_base&quot;: &quot;GCIMOAWUDYGORG-ZROIWOOFSA&quot;, &quot;mols2grid-id&quot;: 302, &quot;data-Ligand_InChI_Key&quot;: &quot;GCIMOAWUDYGORG-ZROIWOOFSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 302, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50858922&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(CC\\\\C=C(\\\\C)CCC=C(C)C)CC=C(P(O)(O)=O)P(O)(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GCIMOAWUDYGORG-ZROIWOOFSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GCIMOAWUDYGORG-ZROIWOOFSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(CC\\\\C=C(\\\\C)CCC=C(C)C)CC=C(P([O-])([O-])=O)P([O-])([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50865701, &quot;data-inchi_base&quot;: &quot;GCIMOAWUDYGORG-ZROIWOOFSA&quot;, &quot;mols2grid-id&quot;: 303, &quot;data-Ligand_InChI_Key&quot;: &quot;GCIMOAWUDYGORG-ZROIWOOFSA-J&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 303, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50865701&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(CC\\\\C=C(\\\\C)CCC=C(C)C)CC=C(P([O-])([O-])=O)P([O-])([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GCIMOAWUDYGORG-ZROIWOOFSA-J&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GCIMOAWUDYGORG-ZROIWOOFSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc[nH+]cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 756141, &quot;data-inchi_base&quot;: &quot;GCMUCRFCRQKQLB-JOCQHMNTSA&quot;, &quot;mols2grid-id&quot;: 304, &quot;data-Ligand_InChI_Key&quot;: &quot;GCMUCRFCRQKQLB-JOCQHMNTSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 304, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;756141&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc[nH+]cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GCMUCRFCRQKQLB-JOCQHMNTSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GCMUCRFCRQKQLB-JOCQHMNTSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1ccncc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 756017, &quot;data-inchi_base&quot;: &quot;GCMUCRFCRQKQLB-JOCQHMNTSA&quot;, &quot;mols2grid-id&quot;: 305, &quot;data-Ligand_InChI_Key&quot;: &quot;GCMUCRFCRQKQLB-JOCQHMNTSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 305, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;756017&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NCCC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1ccncc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GCMUCRFCRQKQLB-JOCQHMNTSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GCMUCRFCRQKQLB-JOCQHMNTSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[O-]S(=O)(=O)C(F)(F)c1cccc(c1)-c1ccccc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50125545, &quot;data-inchi_base&quot;: &quot;GDEQQQYPUPWGAF-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 306, &quot;data-Ligand_InChI_Key&quot;: &quot;GDEQQQYPUPWGAF-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 306, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50125545&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[O-]S(=O)(=O)C(F)(F)c1cccc(c1)-c1ccccc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GDEQQQYPUPWGAF-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GDEQQQYPUPWGAF-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OS(=O)(=O)C(F)(F)c1cccc(c1)-c1ccccc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51268304, &quot;data-inchi_base&quot;: &quot;GDEQQQYPUPWGAF-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 307, &quot;data-Ligand_InChI_Key&quot;: &quot;GDEQQQYPUPWGAF-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 307, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51268304&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OS(=O)(=O)C(F)(F)c1cccc(c1)-c1ccccc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GDEQQQYPUPWGAF-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GDEQQQYPUPWGAF-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1ccc2CN([C@@H](Cc2c1OCc1ccccc1)C([O-])=O)C(=O)C(c1ccccc1)c1ccccc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50467584, &quot;data-inchi_base&quot;: &quot;GHBCIXGRCZIPNQ-MHZLTWQESA&quot;, &quot;mols2grid-id&quot;: 308, &quot;data-Ligand_InChI_Key&quot;: &quot;GHBCIXGRCZIPNQ-MHZLTWQESA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 308, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50467584&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1ccc2CN([C@@H](Cc2c1OCc1ccccc1)C([O-])=O)C(=O)C(c1ccccc1)c1ccccc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GHBCIXGRCZIPNQ-MHZLTWQESA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GHBCIXGRCZIPNQ-MHZLTWQESA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1ccc2CN([C@@H](Cc2c1OCc1ccccc1)C(O)=O)C(=O)C(c1ccccc1)c1ccccc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50002603, &quot;data-inchi_base&quot;: &quot;GHBCIXGRCZIPNQ-MHZLTWQESA&quot;, &quot;mols2grid-id&quot;: 309, &quot;data-Ligand_InChI_Key&quot;: &quot;GHBCIXGRCZIPNQ-MHZLTWQESA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 309, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50002603&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1ccc2CN([C@@H](Cc2c1OCc1ccccc1)C(O)=O)C(=O)C(c1ccccc1)c1ccccc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GHBCIXGRCZIPNQ-MHZLTWQESA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GHBCIXGRCZIPNQ-MHZLTWQESA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)c1ccc(I)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 417578, &quot;data-inchi_base&quot;: &quot;GHICCUXQJBDNRN-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 310, &quot;data-Ligand_InChI_Key&quot;: &quot;GHICCUXQJBDNRN-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 310, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;417578&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)c1ccc(I)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GHICCUXQJBDNRN-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GHICCUXQJBDNRN-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[O-]C(=O)c1ccc(I)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50630288, &quot;data-inchi_base&quot;: &quot;GHICCUXQJBDNRN-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 311, &quot;data-Ligand_InChI_Key&quot;: &quot;GHICCUXQJBDNRN-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 311, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50630288&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[O-]C(=O)c1ccc(I)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GHICCUXQJBDNRN-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GHICCUXQJBDNRN-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCCCCCCCCC(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50749211, &quot;data-inchi_base&quot;: &quot;GHVNFZFCNZKVNT-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 312, &quot;data-Ligand_InChI_Key&quot;: &quot;GHVNFZFCNZKVNT-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 312, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50749211&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCCCCCCCC(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GHVNFZFCNZKVNT-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GHVNFZFCNZKVNT-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCCCCCCCCC([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 42532, &quot;data-inchi_base&quot;: &quot;GHVNFZFCNZKVNT-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 313, &quot;data-Ligand_InChI_Key&quot;: &quot;GHVNFZFCNZKVNT-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 313, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;42532&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCCCCCCCC([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GHVNFZFCNZKVNT-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GHVNFZFCNZKVNT-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Oc1cc2[C@H](C[NH2+]CCc2c(Cl)c1O)c1ccccc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 177228, &quot;data-inchi_base&quot;: &quot;GHWJEDJMOVUXEC-CYBMUJFWSA&quot;, &quot;mols2grid-id&quot;: 314, &quot;data-Ligand_InChI_Key&quot;: &quot;GHWJEDJMOVUXEC-CYBMUJFWSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 314, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;177228&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Oc1cc2[C@H](C[NH2+]CCc2c(Cl)c1O)c1ccccc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GHWJEDJMOVUXEC-CYBMUJFWSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GHWJEDJMOVUXEC-CYBMUJFWSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Oc1cc2[C@H](CNCCc2c(Cl)c1O)c1ccccc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51268664, &quot;data-inchi_base&quot;: &quot;GHWJEDJMOVUXEC-CYBMUJFWSA&quot;, &quot;mols2grid-id&quot;: 315, &quot;data-Ligand_InChI_Key&quot;: &quot;GHWJEDJMOVUXEC-CYBMUJFWSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 315, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51268664&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Oc1cc2[C@H](CNCCc2c(Cl)c1O)c1ccccc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GHWJEDJMOVUXEC-CYBMUJFWSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GHWJEDJMOVUXEC-CYBMUJFWSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)N(COP([O-])([O-])=O)c4n3)n2)cc(OC)c1OC&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50975632, &quot;data-inchi_base&quot;: &quot;GKDRMWXFWHEQQT-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 316, &quot;data-Ligand_InChI_Key&quot;: &quot;GKDRMWXFWHEQQT-UHFFFAOYSA-L&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 316, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50975632&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)N(COP([O-])([O-])=O)c4n3)n2)cc(OC)c1OC&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GKDRMWXFWHEQQT-UHFFFAOYSA-L&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GKDRMWXFWHEQQT-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)N(COP(O)(O)=O)c4n3)n2)cc(OC)c1OC&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51057731, &quot;data-inchi_base&quot;: &quot;GKDRMWXFWHEQQT-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 317, &quot;data-Ligand_InChI_Key&quot;: &quot;GKDRMWXFWHEQQT-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 317, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51057731&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)N(COP(O)(O)=O)c4n3)n2)cc(OC)c1OC&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GKDRMWXFWHEQQT-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GKDRMWXFWHEQQT-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(C)C[C@H](NP([O-])([O-])=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50723972, &quot;data-inchi_base&quot;: &quot;GKNMEOYLZHYYGW-GJZGRUSLSA&quot;, &quot;mols2grid-id&quot;: 318, &quot;data-Ligand_InChI_Key&quot;: &quot;GKNMEOYLZHYYGW-GJZGRUSLSA-K&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 318, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50723972&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(C)C[C@H](NP([O-])([O-])=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GKNMEOYLZHYYGW-GJZGRUSLSA-K&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GKNMEOYLZHYYGW-GJZGRUSLSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(C)C[C@H](NP(O)(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50725522, &quot;data-inchi_base&quot;: &quot;GKNMEOYLZHYYGW-GJZGRUSLSA&quot;, &quot;mols2grid-id&quot;: 319, &quot;data-Ligand_InChI_Key&quot;: &quot;GKNMEOYLZHYYGW-GJZGRUSLSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 319, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50725522&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(C)C[C@H](NP(O)(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GKNMEOYLZHYYGW-GJZGRUSLSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GKNMEOYLZHYYGW-GJZGRUSLSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2\\\\C1=N/OCCN1CCNCC1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51002897, &quot;data-inchi_base&quot;: &quot;GKPYOIONIPTTMQ-NHFJDJAPSA&quot;, &quot;mols2grid-id&quot;: 320, &quot;data-Ligand_InChI_Key&quot;: &quot;GKPYOIONIPTTMQ-NHFJDJAPSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 320, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51002897&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2\\\\C1=N/OCCN1CCNCC1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GKPYOIONIPTTMQ-NHFJDJAPSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GKPYOIONIPTTMQ-NHFJDJAPSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2\\\\C1=N/OCC[NH+]1CC[NH2+]CC1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51002896, &quot;data-inchi_base&quot;: &quot;GKPYOIONIPTTMQ-NHFJDJAPSA&quot;, &quot;mols2grid-id&quot;: 321, &quot;data-Ligand_InChI_Key&quot;: &quot;GKPYOIONIPTTMQ-NHFJDJAPSA-P&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 321, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51002896&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2\\\\C1=N/OCC[NH+]1CC[NH2+]CC1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GKPYOIONIPTTMQ-NHFJDJAPSA-P&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GKPYOIONIPTTMQ-NHFJDJAPSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[C@H](NP(O)(=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50743568, &quot;data-inchi_base&quot;: &quot;GNGBFOBTYAQKJQ-JQWIXIFHSA&quot;, &quot;mols2grid-id&quot;: 322, &quot;data-Ligand_InChI_Key&quot;: &quot;GNGBFOBTYAQKJQ-JQWIXIFHSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 322, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50743568&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[C@H](NP(O)(=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GNGBFOBTYAQKJQ-JQWIXIFHSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GNGBFOBTYAQKJQ-JQWIXIFHSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[C@H](NP([O-])(=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50029507, &quot;data-inchi_base&quot;: &quot;GNGBFOBTYAQKJQ-JQWIXIFHSA&quot;, &quot;mols2grid-id&quot;: 323, &quot;data-Ligand_InChI_Key&quot;: &quot;GNGBFOBTYAQKJQ-JQWIXIFHSA-L&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 323, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50029507&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[C@H](NP([O-])(=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GNGBFOBTYAQKJQ-JQWIXIFHSA-L&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GNGBFOBTYAQKJQ-JQWIXIFHSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1cccc(OC)c1-n1c(\\\\C=C\\\\C(O)=O)nnc1-c1ccc(C)o1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 1301754, &quot;data-inchi_base&quot;: &quot;GODSZENMGAUKFR-MDZDMXLPSA&quot;, &quot;mols2grid-id&quot;: 324, &quot;data-Ligand_InChI_Key&quot;: &quot;GODSZENMGAUKFR-MDZDMXLPSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 324, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;1301754&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1cccc(OC)c1-n1c(\\\\C=C\\\\C(O)=O)nnc1-c1ccc(C)o1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GODSZENMGAUKFR-MDZDMXLPSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GODSZENMGAUKFR-MDZDMXLPSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1cccc(OC)c1-n1c(\\\\C=C\\\\C([O-])=O)nnc1-c1ccc(C)o1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 1301809, &quot;data-inchi_base&quot;: &quot;GODSZENMGAUKFR-MDZDMXLPSA&quot;, &quot;mols2grid-id&quot;: 325, &quot;data-Ligand_InChI_Key&quot;: &quot;GODSZENMGAUKFR-MDZDMXLPSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 325, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;1301809&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1cccc(OC)c1-n1c(\\\\C=C\\\\C([O-])=O)nnc1-c1ccc(C)o1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GODSZENMGAUKFR-MDZDMXLPSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GODSZENMGAUKFR-MDZDMXLPSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[O-]S(=O)(=O)C(F)(F)c1ccc2ccccc2c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50125548, &quot;data-inchi_base&quot;: &quot;GOESXSQUFQHLQQ-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 326, &quot;data-Ligand_InChI_Key&quot;: &quot;GOESXSQUFQHLQQ-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 326, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50125548&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[O-]S(=O)(=O)C(F)(F)c1ccc2ccccc2c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GOESXSQUFQHLQQ-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GOESXSQUFQHLQQ-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OS(=O)(=O)C(F)(F)c1ccc2ccccc2c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51268284, &quot;data-inchi_base&quot;: &quot;GOESXSQUFQHLQQ-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 327, &quot;data-Ligand_InChI_Key&quot;: &quot;GOESXSQUFQHLQQ-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 327, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51268284&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OS(=O)(=O)C(F)(F)c1ccc2ccccc2c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GOESXSQUFQHLQQ-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GOESXSQUFQHLQQ-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)CCc1c[nH]c2ccccc12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 57443, &quot;data-inchi_base&quot;: &quot;GOLXRNDWAUTYKT-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 328, &quot;data-Ligand_InChI_Key&quot;: &quot;GOLXRNDWAUTYKT-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 328, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;57443&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)CCc1c[nH]c2ccccc12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GOLXRNDWAUTYKT-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GOLXRNDWAUTYKT-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[O-]C(=O)CCc1c[nH]c2ccccc12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 201103, &quot;data-inchi_base&quot;: &quot;GOLXRNDWAUTYKT-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 329, &quot;data-Ligand_InChI_Key&quot;: &quot;GOLXRNDWAUTYKT-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 329, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;201103&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[O-]C(=O)CCc1c[nH]c2ccccc12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GOLXRNDWAUTYKT-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GOLXRNDWAUTYKT-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)CCN1C(=S)S\\\\C(=C/c2ccc(o2)-c2ccccc2Cl)C1=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51057588, &quot;data-inchi_base&quot;: &quot;GOTSHXUIWCSXBV-ZROIWOOFSA&quot;, &quot;mols2grid-id&quot;: 330, &quot;data-Ligand_InChI_Key&quot;: &quot;GOTSHXUIWCSXBV-ZROIWOOFSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 330, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51057588&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)CCN1C(=S)S\\\\C(=C/c2ccc(o2)-c2ccccc2Cl)C1=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GOTSHXUIWCSXBV-ZROIWOOFSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GOTSHXUIWCSXBV-ZROIWOOFSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[O-]C(=O)CCN1C(=S)S\\\\C(=C/c2ccc(o2)-c2ccccc2Cl)C1=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 377252, &quot;data-inchi_base&quot;: &quot;GOTSHXUIWCSXBV-ZROIWOOFSA&quot;, &quot;mols2grid-id&quot;: 331, &quot;data-Ligand_InChI_Key&quot;: &quot;GOTSHXUIWCSXBV-ZROIWOOFSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 331, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;377252&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[O-]C(=O)CCN1C(=S)S\\\\C(=C/c2ccc(o2)-c2ccccc2Cl)C1=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GOTSHXUIWCSXBV-ZROIWOOFSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GOTSHXUIWCSXBV-ZROIWOOFSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CO\\\\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C([O-])=O)c1csc(N)n1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 210134, &quot;data-inchi_base&quot;: &quot;GPRBEKHLDVQUJE-QSWIMTSFSA&quot;, &quot;mols2grid-id&quot;: 332, &quot;data-Ligand_InChI_Key&quot;: &quot;GPRBEKHLDVQUJE-QSWIMTSFSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 332, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;210134&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CO\\\\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C([O-])=O)c1csc(N)n1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GPRBEKHLDVQUJE-QSWIMTSFSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GPRBEKHLDVQUJE-QSWIMTSFSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CO\\\\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51174902, &quot;data-inchi_base&quot;: &quot;GPRBEKHLDVQUJE-QSWIMTSFSA&quot;, &quot;mols2grid-id&quot;: 333, &quot;data-Ligand_InChI_Key&quot;: &quot;GPRBEKHLDVQUJE-QSWIMTSFSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 333, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51174902&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CO\\\\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GPRBEKHLDVQUJE-QSWIMTSFSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GPRBEKHLDVQUJE-QSWIMTSFSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(C)c1nc(c(-c2ccc(F)cc2)n1\\\\C=C\\\\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50067901, &quot;data-inchi_base&quot;: &quot;GQOQQDINYJTQDY-LKWCPCFXSA&quot;, &quot;mols2grid-id&quot;: 334, &quot;data-Ligand_InChI_Key&quot;: &quot;GQOQQDINYJTQDY-LKWCPCFXSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 334, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50067901&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(C)c1nc(c(-c2ccc(F)cc2)n1\\\\C=C\\\\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GQOQQDINYJTQDY-LKWCPCFXSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GQOQQDINYJTQDY-LKWCPCFXSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(C)c1nc(c(-c2ccc(F)cc2)n1\\\\C=C\\\\[C@@H](O)C[C@@H](O)CC(O)=O)-c1ccc(F)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50067897, &quot;data-inchi_base&quot;: &quot;GQOQQDINYJTQDY-LKWCPCFXSA&quot;, &quot;mols2grid-id&quot;: 335, &quot;data-Ligand_InChI_Key&quot;: &quot;GQOQQDINYJTQDY-LKWCPCFXSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 335, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50067897&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(C)c1nc(c(-c2ccc(F)cc2)n1\\\\C=C\\\\[C@@H](O)C[C@@H](O)CC(O)=O)-c1ccc(F)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GQOQQDINYJTQDY-LKWCPCFXSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GQOQQDINYJTQDY-LKWCPCFXSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC[C@H]1O[C@H](Oc2ccc(cc2Cl)-c2ccc(cc2)C([O-])=O)[C@@H](O)[C@@H](O)[C@@H]1O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50647488, &quot;data-inchi_base&quot;: &quot;GRWYYZUQOKZFOB-GJGATLCTSA&quot;, &quot;mols2grid-id&quot;: 336, &quot;data-Ligand_InChI_Key&quot;: &quot;GRWYYZUQOKZFOB-GJGATLCTSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 336, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50647488&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC[C@H]1O[C@H](Oc2ccc(cc2Cl)-c2ccc(cc2)C([O-])=O)[C@@H](O)[C@@H](O)[C@@H]1O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GRWYYZUQOKZFOB-GJGATLCTSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GRWYYZUQOKZFOB-GJGATLCTSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC[C@H]1O[C@H](Oc2ccc(cc2Cl)-c2ccc(cc2)C(O)=O)[C@@H](O)[C@@H](O)[C@@H]1O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50973766, &quot;data-inchi_base&quot;: &quot;GRWYYZUQOKZFOB-GJGATLCTSA&quot;, &quot;mols2grid-id&quot;: 337, &quot;data-Ligand_InChI_Key&quot;: &quot;GRWYYZUQOKZFOB-GJGATLCTSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 337, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50973766&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC[C@H]1O[C@H](Oc2ccc(cc2Cl)-c2ccc(cc2)C(O)=O)[C@@H](O)[C@@H](O)[C@@H]1O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GRWYYZUQOKZFOB-GJGATLCTSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GRWYYZUQOKZFOB-GJGATLCTSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[C@@H](Nc1nc(C)nc2ncc(cc12)[NH+]1CCN(CC1)C(C)=O)c1cccc(c1C)C(F)(F)F&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 1348097, &quot;data-inchi_base&quot;: &quot;GSLLDRRIFVILDW-OAHLLOKOSA&quot;, &quot;mols2grid-id&quot;: 338, &quot;data-Ligand_InChI_Key&quot;: &quot;GSLLDRRIFVILDW-OAHLLOKOSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 338, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;1348097&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[C@@H](Nc1nc(C)nc2ncc(cc12)[NH+]1CCN(CC1)C(C)=O)c1cccc(c1C)C(F)(F)F&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GSLLDRRIFVILDW-OAHLLOKOSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GSLLDRRIFVILDW-OAHLLOKOSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[C@@H](Nc1nc(C)nc2ncc(cc12)N1CCN(CC1)C(C)=O)c1cccc(c1C)C(F)(F)F&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 1348096, &quot;data-inchi_base&quot;: &quot;GSLLDRRIFVILDW-OAHLLOKOSA&quot;, &quot;mols2grid-id&quot;: 339, &quot;data-Ligand_InChI_Key&quot;: &quot;GSLLDRRIFVILDW-OAHLLOKOSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 339, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;1348096&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[C@@H](Nc1nc(C)nc2ncc(cc12)N1CCN(CC1)C(C)=O)c1cccc(c1C)C(F)(F)F&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GSLLDRRIFVILDW-OAHLLOKOSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GSLLDRRIFVILDW-OAHLLOKOSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Cc1nc2n(Cc3cccc(F)c3F)nc(-c3nnc4c(NC(=O)C4(C)C)n3)c2cc1F&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 603700, &quot;data-inchi_base&quot;: &quot;GTPVKNOAYNWRKA-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 340, &quot;data-Ligand_InChI_Key&quot;: &quot;GTPVKNOAYNWRKA-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 340, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;603700&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cc1nc2n(Cc3cccc(F)c3F)nc(-c3nnc4c(NC(=O)C4(C)C)n3)c2cc1F&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GTPVKNOAYNWRKA-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GTPVKNOAYNWRKA-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Cc1nc2n(Cc3cccc(F)c3F)nc(-c3nnc4c([N-]C(=O)C4(C)C)n3)c2cc1F&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 603701, &quot;data-inchi_base&quot;: &quot;GTPVKNOAYNWRKA-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 341, &quot;data-Ligand_InChI_Key&quot;: &quot;GTPVKNOAYNWRKA-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 341, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;603701&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cc1nc2n(Cc3cccc(F)c3F)nc(-c3nnc4c([N-]C(=O)C4(C)C)n3)c2cc1F&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GTPVKNOAYNWRKA-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GTPVKNOAYNWRKA-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;NCCc1ccccc1NC[C@@H](N)CCCN=C(N)N[N+]([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50447328, &quot;data-inchi_base&quot;: &quot;GVFOIXTVPJBFRA-LBPRGKRZSA&quot;, &quot;mols2grid-id&quot;: 342, &quot;data-Ligand_InChI_Key&quot;: &quot;GVFOIXTVPJBFRA-LBPRGKRZSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 342, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50447328&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NCCc1ccccc1NC[C@@H](N)CCCN=C(N)N[N+]([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GVFOIXTVPJBFRA-LBPRGKRZSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GVFOIXTVPJBFRA-LBPRGKRZSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;N[C@@H](CCCNC(N)=N[N+]([O-])=O)CNc1ccccc1CC[NH3+]&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51056156, &quot;data-inchi_base&quot;: &quot;GVFOIXTVPJBFRA-LBPRGKRZSA&quot;, &quot;mols2grid-id&quot;: 343, &quot;data-Ligand_InChI_Key&quot;: &quot;GVFOIXTVPJBFRA-LBPRGKRZSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 343, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51056156&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;N[C@@H](CCCNC(N)=N[N+]([O-])=O)CNc1ccccc1CC[NH3+]&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GVFOIXTVPJBFRA-LBPRGKRZSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GVFOIXTVPJBFRA-LBPRGKRZSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;NC(=[NH2+])Nc1ccc(cc1)C(=O)Oc1ccc(cc1)C#N&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50243422, &quot;data-inchi_base&quot;: &quot;GXFBSLKCSCKIAZ-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 344, &quot;data-Ligand_InChI_Key&quot;: &quot;GXFBSLKCSCKIAZ-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 344, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50243422&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NC(=[NH2+])Nc1ccc(cc1)C(=O)Oc1ccc(cc1)C#N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GXFBSLKCSCKIAZ-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GXFBSLKCSCKIAZ-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;NC(N)=Nc1ccc(cc1)C(=O)Oc1ccc(cc1)C#N&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 200185, &quot;data-inchi_base&quot;: &quot;GXFBSLKCSCKIAZ-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 345, &quot;data-Ligand_InChI_Key&quot;: &quot;GXFBSLKCSCKIAZ-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 345, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;200185&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NC(N)=Nc1ccc(cc1)C(=O)Oc1ccc(cc1)C#N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GXFBSLKCSCKIAZ-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GXFBSLKCSCKIAZ-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Cc1ccc(Cl)c(Nc2ccccc2CC([O-])=O)c1Cl&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 1108940, &quot;data-inchi_base&quot;: &quot;GZRAEWKMFPWXNW-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 346, &quot;data-Ligand_InChI_Key&quot;: &quot;GZRAEWKMFPWXNW-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 346, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;1108940&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cc1ccc(Cl)c(Nc2ccccc2CC([O-])=O)c1Cl&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GZRAEWKMFPWXNW-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GZRAEWKMFPWXNW-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Cc1ccc(Cl)c(Nc2ccccc2CC(O)=O)c1Cl&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50510721, &quot;data-inchi_base&quot;: &quot;GZRAEWKMFPWXNW-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 347, &quot;data-Ligand_InChI_Key&quot;: &quot;GZRAEWKMFPWXNW-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 347, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50510721&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cc1ccc(Cl)c(Nc2ccccc2CC(O)=O)c1Cl&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GZRAEWKMFPWXNW-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;GZRAEWKMFPWXNW-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(C)C[C@@H]1NC(=O)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(=O)N2CCN(CC2)c2ccccc2)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)c1cccs1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50048444, &quot;data-inchi_base&quot;: &quot;HAHANBGRLRTDGL-HKJVWEGHSA&quot;, &quot;mols2grid-id&quot;: 348, &quot;data-Ligand_InChI_Key&quot;: &quot;HAHANBGRLRTDGL-HKJVWEGHSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 348, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50048444&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(C)C[C@@H]1NC(=O)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(=O)N2CCN(CC2)c2ccccc2)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)c1cccs1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HAHANBGRLRTDGL-HKJVWEGHSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HAHANBGRLRTDGL-HKJVWEGHSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(C)C[C@@H]1NC(=O)[C@H](NC(=O)[C@H](CC([O-])=O)NC(=O)[C@H](CC(=O)N2CCN(CC2)c2ccccc2)NC(=O)[C@@H](CC([O-])=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)c1cccs1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50820829, &quot;data-inchi_base&quot;: &quot;HAHANBGRLRTDGL-HKJVWEGHSA&quot;, &quot;mols2grid-id&quot;: 349, &quot;data-Ligand_InChI_Key&quot;: &quot;HAHANBGRLRTDGL-HKJVWEGHSA-L&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 349, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50820829&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(C)C[C@@H]1NC(=O)[C@H](NC(=O)[C@H](CC([O-])=O)NC(=O)[C@H](CC(=O)N2CCN(CC2)c2ccccc2)NC(=O)[C@@H](CC([O-])=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)c1cccs1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HAHANBGRLRTDGL-HKJVWEGHSA-L&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HAHANBGRLRTDGL-HKJVWEGHSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C\\\\C(CO)=C/CCP(O)(=O)CP(O)(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51265119, &quot;data-inchi_base&quot;: &quot;HBLQQLLBTFVILT-XVNBXDOJSA&quot;, &quot;mols2grid-id&quot;: 350, &quot;data-Ligand_InChI_Key&quot;: &quot;HBLQQLLBTFVILT-XVNBXDOJSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 350, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51265119&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C\\\\C(CO)=C/CCP(O)(=O)CP(O)(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HBLQQLLBTFVILT-XVNBXDOJSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HBLQQLLBTFVILT-XVNBXDOJSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[Na+].[Na+].[Na+].C\\\\C(CO)=C/CCP([O-])(=O)CP([O-])([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50733489, &quot;data-inchi_base&quot;: &quot;HBLQQLLBTFVILT-XVNBXDOJSA&quot;, &quot;mols2grid-id&quot;: 351, &quot;data-Ligand_InChI_Key&quot;: &quot;HBLQQLLBTFVILT-XVNBXDOJSA-K&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 351, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50733489&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[Na+].[Na+].[Na+].C\\\\C(CO)=C/CCP([O-])(=O)CP([O-])([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HBLQQLLBTFVILT-XVNBXDOJSA-K&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HBLQQLLBTFVILT-XVNBXDOJSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1cc(Nc2ncc(-c3nc4cnccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)[nH+]2)ccn1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 580216, &quot;data-inchi_base&quot;: &quot;HDAGTGHKORQASF-IHHCABKOSA&quot;, &quot;mols2grid-id&quot;: 352, &quot;data-Ligand_InChI_Key&quot;: &quot;HDAGTGHKORQASF-IHHCABKOSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 352, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;580216&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1cc(Nc2ncc(-c3nc4cnccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)[nH+]2)ccn1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HDAGTGHKORQASF-IHHCABKOSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HDAGTGHKORQASF-IHHCABKOSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1cc(Nc2ncc(-c3nc4cnccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)ccn1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50386150, &quot;data-inchi_base&quot;: &quot;HDAGTGHKORQASF-IHHCABKOSA&quot;, &quot;mols2grid-id&quot;: 353, &quot;data-Ligand_InChI_Key&quot;: &quot;HDAGTGHKORQASF-IHHCABKOSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 353, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50386150&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1cc(Nc2ncc(-c3nc4cnccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)ccn1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HDAGTGHKORQASF-IHHCABKOSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HDAGTGHKORQASF-IHHCABKOSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COCc1ccc(C(C)=O)c2sc(C(=O)Nc3ccc4c(COP([O-])([O-])=O)cccc4n3)c(C)c12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 440310, &quot;data-inchi_base&quot;: &quot;HDOJHWCHMGXMLH-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 354, &quot;data-Ligand_InChI_Key&quot;: &quot;HDOJHWCHMGXMLH-UHFFFAOYSA-L&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 354, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;440310&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COCc1ccc(C(C)=O)c2sc(C(=O)Nc3ccc4c(COP([O-])([O-])=O)cccc4n3)c(C)c12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HDOJHWCHMGXMLH-UHFFFAOYSA-L&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HDOJHWCHMGXMLH-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COCc1ccc(C(C)=O)c2sc(C(=O)Nc3ccc4c(COP(O)(O)=O)cccc4n3)c(C)c12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 440392, &quot;data-inchi_base&quot;: &quot;HDOJHWCHMGXMLH-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 355, &quot;data-Ligand_InChI_Key&quot;: &quot;HDOJHWCHMGXMLH-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 355, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;440392&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COCc1ccc(C(C)=O)c2sc(C(=O)Nc3ccc4c(COP(O)(O)=O)cccc4n3)c(C)c12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HDOJHWCHMGXMLH-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HDOJHWCHMGXMLH-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(CCC=C(C)C)CC=C(P(O)(O)=O)P(O)(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50048330, &quot;data-inchi_base&quot;: &quot;HEDOUEQCEFBPLR-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 356, &quot;data-Ligand_InChI_Key&quot;: &quot;HEDOUEQCEFBPLR-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 356, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50048330&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(CCC=C(C)C)CC=C(P(O)(O)=O)P(O)(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HEDOUEQCEFBPLR-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HEDOUEQCEFBPLR-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(CCC=C(C)C)CC=C(P([O-])([O-])=O)P([O-])([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50865702, &quot;data-inchi_base&quot;: &quot;HEDOUEQCEFBPLR-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 357, &quot;data-Ligand_InChI_Key&quot;: &quot;HEDOUEQCEFBPLR-UHFFFAOYSA-J&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 357, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50865702&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(CCC=C(C)C)CC=C(P([O-])([O-])=O)P([O-])([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HEDOUEQCEFBPLR-UHFFFAOYSA-J&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HEDOUEQCEFBPLR-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cc[nH+]c3cc(F)cnc23)n1-c1ccccc1F&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 1332368, &quot;data-inchi_base&quot;: &quot;HFBIIKWTKYNZRI-SAABIXHNSA&quot;, &quot;mols2grid-id&quot;: 358, &quot;data-Ligand_InChI_Key&quot;: &quot;HFBIIKWTKYNZRI-SAABIXHNSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 358, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;1332368&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cc[nH+]c3cc(F)cnc23)n1-c1ccccc1F&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HFBIIKWTKYNZRI-SAABIXHNSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HFBIIKWTKYNZRI-SAABIXHNSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccnc3cc(F)cnc23)n1-c1ccccc1F&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 1385272, &quot;data-inchi_base&quot;: &quot;HFBIIKWTKYNZRI-SAABIXHNSA&quot;, &quot;mols2grid-id&quot;: 359, &quot;data-Ligand_InChI_Key&quot;: &quot;HFBIIKWTKYNZRI-SAABIXHNSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 359, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;1385272&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccnc3cc(F)cnc23)n1-c1ccccc1F&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HFBIIKWTKYNZRI-SAABIXHNSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HFBIIKWTKYNZRI-SAABIXHNSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;O[C@H]1C[C@@H](O[C@@H]1COP([O-])([O-])=O)n1cc(F)c(=O)[nH]c1=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50657263, &quot;data-inchi_base&quot;: &quot;HFEKDTCAMMOLQP-RRKCRQDMSA&quot;, &quot;mols2grid-id&quot;: 360, &quot;data-Ligand_InChI_Key&quot;: &quot;HFEKDTCAMMOLQP-RRKCRQDMSA-L&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 360, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50657263&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;O[C@H]1C[C@@H](O[C@@H]1COP([O-])([O-])=O)n1cc(F)c(=O)[nH]c1=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HFEKDTCAMMOLQP-RRKCRQDMSA-L&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HFEKDTCAMMOLQP-RRKCRQDMSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)n1cc(F)c(=O)[nH]c1=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50061793, &quot;data-inchi_base&quot;: &quot;HFEKDTCAMMOLQP-RRKCRQDMSA&quot;, &quot;mols2grid-id&quot;: 361, &quot;data-Ligand_InChI_Key&quot;: &quot;HFEKDTCAMMOLQP-RRKCRQDMSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 361, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50061793&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)n1cc(F)c(=O)[nH]c1=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HFEKDTCAMMOLQP-RRKCRQDMSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HFEKDTCAMMOLQP-RRKCRQDMSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCN(CC)CCCNc1nc2ccccc2c2[nH]c3ccc(OC)cc3c12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 238545, &quot;data-inchi_base&quot;: &quot;HGILUFKJFSZULZ-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 362, &quot;data-Ligand_InChI_Key&quot;: &quot;HGILUFKJFSZULZ-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 362, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;238545&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCN(CC)CCCNc1nc2ccccc2c2[nH]c3ccc(OC)cc3c12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HGILUFKJFSZULZ-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HGILUFKJFSZULZ-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC[NH+](CC)CCCNc1nc2ccccc2c2[nH]c3ccc(OC)cc3c12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50843121, &quot;data-inchi_base&quot;: &quot;HGILUFKJFSZULZ-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 363, &quot;data-Ligand_InChI_Key&quot;: &quot;HGILUFKJFSZULZ-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 363, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50843121&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC[NH+](CC)CCCNc1nc2ccccc2c2[nH]c3ccc(OC)cc3c12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HGILUFKJFSZULZ-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HGILUFKJFSZULZ-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc2c(oc3ccc(cc3c2=O)C(O)=O)c1CCC(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50061954, &quot;data-inchi_base&quot;: &quot;HGMXXGVRUCAMMK-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 364, &quot;data-Ligand_InChI_Key&quot;: &quot;HGMXXGVRUCAMMK-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 364, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50061954&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc2c(oc3ccc(cc3c2=O)C(O)=O)c1CCC(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HGMXXGVRUCAMMK-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HGMXXGVRUCAMMK-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCc1cc(C(C)=O)c([O-])cc1OCCCOc1ccc2c(oc3ccc(cc3c2=O)C([O-])=O)c1CCC([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50001943, &quot;data-inchi_base&quot;: &quot;HGMXXGVRUCAMMK-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 365, &quot;data-Ligand_InChI_Key&quot;: &quot;HGMXXGVRUCAMMK-UHFFFAOYSA-K&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 365, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50001943&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCc1cc(C(C)=O)c([O-])cc1OCCCOc1ccc2c(oc3ccc(cc3c2=O)C([O-])=O)c1CCC([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HGMXXGVRUCAMMK-UHFFFAOYSA-K&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HGMXXGVRUCAMMK-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[NH+]1CCN(CC1)C(=O)C1CCN(CC1)c1c(F)cncc1NC(=O)c1c(N)nn2cc(F)cnc12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 821922, &quot;data-inchi_base&quot;: &quot;HHPRZGCDEMIRLQ-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 366, &quot;data-Ligand_InChI_Key&quot;: &quot;HHPRZGCDEMIRLQ-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 366, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;821922&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[NH+]1CCN(CC1)C(=O)C1CCN(CC1)c1c(F)cncc1NC(=O)c1c(N)nn2cc(F)cnc12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HHPRZGCDEMIRLQ-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HHPRZGCDEMIRLQ-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CN1CCN(CC1)C(=O)C1CCN(CC1)c1c(F)cncc1NC(=O)c1c(N)nn2cc(F)cnc12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 821832, &quot;data-inchi_base&quot;: &quot;HHPRZGCDEMIRLQ-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 367, &quot;data-Ligand_InChI_Key&quot;: &quot;HHPRZGCDEMIRLQ-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 367, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;821832&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CN1CCN(CC1)C(=O)C1CCN(CC1)c1c(F)cncc1NC(=O)c1c(N)nn2cc(F)cnc12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HHPRZGCDEMIRLQ-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HHPRZGCDEMIRLQ-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[O-]C(=O)CC1CCC(OC1)c1ccc(cc1)-c1ccc(Nc2nnc(o2)C2CCC2)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 304688, &quot;data-inchi_base&quot;: &quot;HIHFZDGOQGUUEM-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 368, &quot;data-Ligand_InChI_Key&quot;: &quot;HIHFZDGOQGUUEM-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 368, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;304688&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[O-]C(=O)CC1CCC(OC1)c1ccc(cc1)-c1ccc(Nc2nnc(o2)C2CCC2)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HIHFZDGOQGUUEM-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HIHFZDGOQGUUEM-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)CC1CCC(OC1)c1ccc(cc1)-c1ccc(Nc2nnc(o2)C2CCC2)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 304689, &quot;data-inchi_base&quot;: &quot;HIHFZDGOQGUUEM-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 369, &quot;data-Ligand_InChI_Key&quot;: &quot;HIHFZDGOQGUUEM-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 369, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;304689&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)CC1CCC(OC1)c1ccc(cc1)-c1ccc(Nc2nnc(o2)C2CCC2)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HIHFZDGOQGUUEM-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HIHFZDGOQGUUEM-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[NH+](C)CCO\\\\N=C1\\\\C(=Nc2ccccc12)c1c(O)n(C)c2c(Br)cccc12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51002931, &quot;data-inchi_base&quot;: &quot;HITUNSGAOLHVND-HKOYGPOVSA&quot;, &quot;mols2grid-id&quot;: 370, &quot;data-Ligand_InChI_Key&quot;: &quot;HITUNSGAOLHVND-HKOYGPOVSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 370, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51002931&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[NH+](C)CCO\\\\N=C1\\\\C(=Nc2ccccc12)c1c(O)n(C)c2c(Br)cccc12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HITUNSGAOLHVND-HKOYGPOVSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HITUNSGAOLHVND-HKOYGPOVSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CN(C)CCO\\\\N=C1\\\\C(=Nc2ccccc12)c1c(O)n(C)c2c(Br)cccc12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51002940, &quot;data-inchi_base&quot;: &quot;HITUNSGAOLHVND-HKOYGPOVSA&quot;, &quot;mols2grid-id&quot;: 371, &quot;data-Ligand_InChI_Key&quot;: &quot;HITUNSGAOLHVND-HKOYGPOVSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 371, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51002940&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CN(C)CCO\\\\N=C1\\\\C(=Nc2ccccc12)c1c(O)n(C)c2c(Br)cccc12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HITUNSGAOLHVND-HKOYGPOVSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HITUNSGAOLHVND-HKOYGPOVSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[S-]C([S-])=S&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 420179, &quot;data-inchi_base&quot;: &quot;HIZCIEIDIFGZSS-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 372, &quot;data-Ligand_InChI_Key&quot;: &quot;HIZCIEIDIFGZSS-UHFFFAOYSA-L&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 372, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;420179&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[S-]C([S-])=S&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HIZCIEIDIFGZSS-UHFFFAOYSA-L&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HIZCIEIDIFGZSS-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;SC(S)=S&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50468308, &quot;data-inchi_base&quot;: &quot;HIZCIEIDIFGZSS-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 373, &quot;data-Ligand_InChI_Key&quot;: &quot;HIZCIEIDIFGZSS-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 373, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50468308&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;SC(S)=S&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HIZCIEIDIFGZSS-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HIZCIEIDIFGZSS-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)c1ccc2c(c1)nc(Nc1cccc(c1)C#C)c1ncncc21&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 308919, &quot;data-inchi_base&quot;: &quot;HJGFPNFAFSFDNN-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 374, &quot;data-Ligand_InChI_Key&quot;: &quot;HJGFPNFAFSFDNN-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 374, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;308919&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)c1ccc2c(c1)nc(Nc1cccc(c1)C#C)c1ncncc21&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HJGFPNFAFSFDNN-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HJGFPNFAFSFDNN-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[O-]C(=O)c1ccc2c(c1)nc(Nc1cccc(c1)C#C)c1ncncc21&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 201238, &quot;data-inchi_base&quot;: &quot;HJGFPNFAFSFDNN-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 375, &quot;data-Ligand_InChI_Key&quot;: &quot;HJGFPNFAFSFDNN-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 375, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;201238&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[O-]C(=O)c1ccc2c(c1)nc(Nc1cccc(c1)C#C)c1ncncc21&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HJGFPNFAFSFDNN-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HJGFPNFAFSFDNN-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CS(=O)(=O)c1ccc2n3C[C@H]([NH3+])[C@H](Cc3nc2c1)c1cc(F)c(F)cc1F&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50513749, &quot;data-inchi_base&quot;: &quot;HJJAYSSCWGUPKO-ABAIWWIYSA&quot;, &quot;mols2grid-id&quot;: 376, &quot;data-Ligand_InChI_Key&quot;: &quot;HJJAYSSCWGUPKO-ABAIWWIYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 376, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50513749&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CS(=O)(=O)c1ccc2n3C[C@H]([NH3+])[C@H](Cc3nc2c1)c1cc(F)c(F)cc1F&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HJJAYSSCWGUPKO-ABAIWWIYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HJJAYSSCWGUPKO-ABAIWWIYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CS(=O)(=O)c1ccc2n3C[C@H](N)[C@H](Cc3nc2c1)c1cc(F)c(F)cc1F&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51189567, &quot;data-inchi_base&quot;: &quot;HJJAYSSCWGUPKO-ABAIWWIYSA&quot;, &quot;mols2grid-id&quot;: 377, &quot;data-Ligand_InChI_Key&quot;: &quot;HJJAYSSCWGUPKO-ABAIWWIYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 377, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51189567&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CS(=O)(=O)c1ccc2n3C[C@H](N)[C@H](Cc3nc2c1)c1cc(F)c(F)cc1F&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HJJAYSSCWGUPKO-ABAIWWIYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HJJAYSSCWGUPKO-ABAIWWIYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)c1cccc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2F)n1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51039947, &quot;data-inchi_base&quot;: &quot;HJPAXYLYYQIFCK-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 378, &quot;data-Ligand_InChI_Key&quot;: &quot;HJPAXYLYYQIFCK-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 378, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51039947&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)c1cccc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2F)n1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HJPAXYLYYQIFCK-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HJPAXYLYYQIFCK-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[O-]C(=O)c1cccc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2F)n1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50456964, &quot;data-inchi_base&quot;: &quot;HJPAXYLYYQIFCK-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 379, &quot;data-Ligand_InChI_Key&quot;: &quot;HJPAXYLYYQIFCK-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 379, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50456964&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[O-]C(=O)c1cccc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2F)n1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HJPAXYLYYQIFCK-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HJPAXYLYYQIFCK-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCCCCCCC[S+](C)CC(P(O)(O)=O)P(O)(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51046339, &quot;data-inchi_base&quot;: &quot;HJUIIHFOXRYVDU-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 380, &quot;data-Ligand_InChI_Key&quot;: &quot;HJUIIHFOXRYVDU-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 380, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51046339&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCCCCCC[S+](C)CC(P(O)(O)=O)P(O)(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HJUIIHFOXRYVDU-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HJUIIHFOXRYVDU-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCCCCCCC[S+](C)CC(P(O)(O)=O)P(O)([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 45928, &quot;data-inchi_base&quot;: &quot;HJUIIHFOXRYVDU-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 381, &quot;data-Ligand_InChI_Key&quot;: &quot;HJUIIHFOXRYVDU-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 381, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;45928&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCCCCCC[S+](C)CC(P(O)(O)=O)P(O)([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HJUIIHFOXRYVDU-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HJUIIHFOXRYVDU-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1ccc(cc1)C(=O)C(\\\\Cc1ccccc1)=C(/C(O)=O)c1cc2OCOc2c(OC)c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50269145, &quot;data-inchi_base&quot;: &quot;HKLZPDIAPVJSFU-ATJXCDBQSA&quot;, &quot;mols2grid-id&quot;: 382, &quot;data-Ligand_InChI_Key&quot;: &quot;HKLZPDIAPVJSFU-ATJXCDBQSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 382, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50269145&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1ccc(cc1)C(=O)C(\\\\Cc1ccccc1)=C(/C(O)=O)c1cc2OCOc2c(OC)c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HKLZPDIAPVJSFU-ATJXCDBQSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HKLZPDIAPVJSFU-ATJXCDBQSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1ccc(cc1)C(=O)C(\\\\Cc1ccccc1)=C(/C([O-])=O)c1cc2OCOc2c(OC)c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50095519, &quot;data-inchi_base&quot;: &quot;HKLZPDIAPVJSFU-ATJXCDBQSA&quot;, &quot;mols2grid-id&quot;: 383, &quot;data-Ligand_InChI_Key&quot;: &quot;HKLZPDIAPVJSFU-ATJXCDBQSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 383, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50095519&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1ccc(cc1)C(=O)C(\\\\Cc1ccccc1)=C(/C([O-])=O)c1cc2OCOc2c(OC)c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HKLZPDIAPVJSFU-ATJXCDBQSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HKLZPDIAPVJSFU-ATJXCDBQSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1cc(C(O)=O)c2ccccc2c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50422726, &quot;data-inchi_base&quot;: &quot;HMGSYODAZJHCRL-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 384, &quot;data-Ligand_InChI_Key&quot;: &quot;HMGSYODAZJHCRL-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 384, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50422726&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1cc(C(O)=O)c2ccccc2c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HMGSYODAZJHCRL-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HMGSYODAZJHCRL-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1cc(C([O-])=O)c2ccccc2c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50422768, &quot;data-inchi_base&quot;: &quot;HMGSYODAZJHCRL-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 385, &quot;data-Ligand_InChI_Key&quot;: &quot;HMGSYODAZJHCRL-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 385, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50422768&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1cc(C([O-])=O)c2ccccc2c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HMGSYODAZJHCRL-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HMGSYODAZJHCRL-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC1=C(C(=O)NCC([O-])=O)C(=O)N(Cc2ccc(Oc3ccc(Cl)cc3)nc2)CC1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 422886, &quot;data-inchi_base&quot;: &quot;HMMHKGLPKAQOOH-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 386, &quot;data-Ligand_InChI_Key&quot;: &quot;HMMHKGLPKAQOOH-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 386, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;422886&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC1=C(C(=O)NCC([O-])=O)C(=O)N(Cc2ccc(Oc3ccc(Cl)cc3)nc2)CC1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HMMHKGLPKAQOOH-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HMMHKGLPKAQOOH-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)CNC(=O)C1=C(O)CCN(Cc2ccc(Oc3ccc(Cl)cc3)nc2)C1=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 422918, &quot;data-inchi_base&quot;: &quot;HMMHKGLPKAQOOH-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 387, &quot;data-Ligand_InChI_Key&quot;: &quot;HMMHKGLPKAQOOH-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 387, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;422918&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)CNC(=O)C1=C(O)CCN(Cc2ccc(Oc3ccc(Cl)cc3)nc2)C1=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HMMHKGLPKAQOOH-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HMMHKGLPKAQOOH-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C(C1CN2CCC1CC2)N1c2ccccc2Sc2ccccc12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 874439, &quot;data-inchi_base&quot;: &quot;HOKDBMAJZXIPGC-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 388, &quot;data-Ligand_InChI_Key&quot;: &quot;HOKDBMAJZXIPGC-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 388, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;874439&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C(C1CN2CCC1CC2)N1c2ccccc2Sc2ccccc12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HOKDBMAJZXIPGC-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HOKDBMAJZXIPGC-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C(C1C[NH+]2CCC1CC2)N1c2ccccc2Sc2ccccc12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51554, &quot;data-inchi_base&quot;: &quot;HOKDBMAJZXIPGC-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 389, &quot;data-Ligand_InChI_Key&quot;: &quot;HOKDBMAJZXIPGC-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 389, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51554&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C(C1C[NH+]2CCC1CC2)N1c2ccccc2Sc2ccccc12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HOKDBMAJZXIPGC-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HOKDBMAJZXIPGC-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CSCC[C@H]([NH3+])C(=O)OC[C@H]1O[C@@H](Cn2cnc3c(N)ncnc23)[C@H](O)[C@@H]1O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50735283, &quot;data-inchi_base&quot;: &quot;HQXDQVBDUIILNZ-VKISENBKSA&quot;, &quot;mols2grid-id&quot;: 390, &quot;data-Ligand_InChI_Key&quot;: &quot;HQXDQVBDUIILNZ-VKISENBKSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 390, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50735283&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CSCC[C@H]([NH3+])C(=O)OC[C@H]1O[C@@H](Cn2cnc3c(N)ncnc23)[C@H](O)[C@@H]1O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HQXDQVBDUIILNZ-VKISENBKSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HQXDQVBDUIILNZ-VKISENBKSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CSCC[C@H](N)C(=O)OC[C@H]1O[C@@H](Cn2cnc3c(N)ncnc23)[C@H](O)[C@@H]1O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51527183, &quot;data-inchi_base&quot;: &quot;HQXDQVBDUIILNZ-VKISENBKSA&quot;, &quot;mols2grid-id&quot;: 391, &quot;data-Ligand_InChI_Key&quot;: &quot;HQXDQVBDUIILNZ-VKISENBKSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 391, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51527183&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CSCC[C@H](N)C(=O)OC[C@H]1O[C@@H](Cn2cnc3c(N)ncnc23)[C@H](O)[C@@H]1O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HQXDQVBDUIILNZ-VKISENBKSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HQXDQVBDUIILNZ-VKISENBKSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COC(=O)CCC(=O)Nc1ccc(NC(=O)c2ccc(C)s2)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 310259, &quot;data-inchi_base&quot;: &quot;HSKFQUAWWXDHQE-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 392, &quot;data-Ligand_InChI_Key&quot;: &quot;HSKFQUAWWXDHQE-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 392, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;310259&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COC(=O)CCC(=O)Nc1ccc(NC(=O)c2ccc(C)s2)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HSKFQUAWWXDHQE-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HSKFQUAWWXDHQE-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Cc1ccc(s1)C(=O)Nc1ccc(NC(=O)CCC([O-])=O)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 310267, &quot;data-inchi_base&quot;: &quot;HSKFQUAWWXDHQE-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 393, &quot;data-Ligand_InChI_Key&quot;: &quot;HSKFQUAWWXDHQE-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 393, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;310267&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cc1ccc(s1)C(=O)Nc1ccc(NC(=O)CCC([O-])=O)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HSKFQUAWWXDHQE-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HSKFQUAWWXDHQE-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Nc1ccc(cc1)C(=O)NCC([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50872056, &quot;data-inchi_base&quot;: &quot;HSMNQINEKMPTIC-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 394, &quot;data-Ligand_InChI_Key&quot;: &quot;HSMNQINEKMPTIC-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 394, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50872056&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Nc1ccc(cc1)C(=O)NCC([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HSMNQINEKMPTIC-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HSMNQINEKMPTIC-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Nc1ccc(cc1)C(=O)NCC(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50754030, &quot;data-inchi_base&quot;: &quot;HSMNQINEKMPTIC-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 395, &quot;data-Ligand_InChI_Key&quot;: &quot;HSMNQINEKMPTIC-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 395, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50754030&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Nc1ccc(cc1)C(=O)NCC(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HSMNQINEKMPTIC-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HSMNQINEKMPTIC-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Clc1cc(I)cc(Cl)c1N=C1NCCN1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50278763, &quot;data-inchi_base&quot;: &quot;HSRPTPAPMBHRRJ-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 396, &quot;data-Ligand_InChI_Key&quot;: &quot;HSRPTPAPMBHRRJ-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 396, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50278763&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Clc1cc(I)cc(Cl)c1N=C1NCCN1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HSRPTPAPMBHRRJ-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HSRPTPAPMBHRRJ-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Clc1cc(I)cc(Cl)c1NC1=[NH+]CCN1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 180897, &quot;data-inchi_base&quot;: &quot;HSRPTPAPMBHRRJ-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 397, &quot;data-Ligand_InChI_Key&quot;: &quot;HSRPTPAPMBHRRJ-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 397, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;180897&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Clc1cc(I)cc(Cl)c1NC1=[NH+]CCN1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HSRPTPAPMBHRRJ-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HSRPTPAPMBHRRJ-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[C@@](O[C@@H]1CC(=C[C@@H](OP([O-])([O-])=O)[C@H]1O)C([O-])=O)(C([O-])=O)P([O-])([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50001537, &quot;data-inchi_base&quot;: &quot;HUOJJMMXOWLGJU-JQCUSGDOSA&quot;, &quot;mols2grid-id&quot;: 398, &quot;data-Ligand_InChI_Key&quot;: &quot;HUOJJMMXOWLGJU-JQCUSGDOSA-H&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 398, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50001537&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[C@@](O[C@@H]1CC(=C[C@@H](OP([O-])([O-])=O)[C@H]1O)C([O-])=O)(C([O-])=O)P([O-])([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HUOJJMMXOWLGJU-JQCUSGDOSA-H&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HUOJJMMXOWLGJU-JQCUSGDOSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[C@@](O[C@@H]1CC(=C[C@@H](OP(O)(O)=O)[C@H]1O)C([O-])=O)(C(O)=O)P(O)(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50984292, &quot;data-inchi_base&quot;: &quot;HUOJJMMXOWLGJU-JQCUSGDOSA&quot;, &quot;mols2grid-id&quot;: 399, &quot;data-Ligand_InChI_Key&quot;: &quot;HUOJJMMXOWLGJU-JQCUSGDOSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 399, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50984292&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[C@@](O[C@@H]1CC(=C[C@@H](OP(O)(O)=O)[C@H]1O)C([O-])=O)(C(O)=O)P(O)(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HUOJJMMXOWLGJU-JQCUSGDOSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HUOJJMMXOWLGJU-JQCUSGDOSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Cc1ccc2nc(\\\\C=C\\\\c3ccc(Cl)cc3)nc(NCC[NH3+])c2c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50336332, &quot;data-inchi_base&quot;: &quot;HVSGNYDJYBCMBH-WEVVVXLNSA&quot;, &quot;mols2grid-id&quot;: 400, &quot;data-Ligand_InChI_Key&quot;: &quot;HVSGNYDJYBCMBH-WEVVVXLNSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 400, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50336332&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cc1ccc2nc(\\\\C=C\\\\c3ccc(Cl)cc3)nc(NCC[NH3+])c2c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HVSGNYDJYBCMBH-WEVVVXLNSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HVSGNYDJYBCMBH-WEVVVXLNSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Cc1ccc2nc(\\\\C=C\\\\c3ccc(Cl)cc3)nc(NCCN)c2c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 49403, &quot;data-inchi_base&quot;: &quot;HVSGNYDJYBCMBH-WEVVVXLNSA&quot;, &quot;mols2grid-id&quot;: 401, &quot;data-Ligand_InChI_Key&quot;: &quot;HVSGNYDJYBCMBH-WEVVVXLNSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 401, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;49403&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cc1ccc2nc(\\\\C=C\\\\c3ccc(Cl)cc3)nc(NCCN)c2c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HVSGNYDJYBCMBH-WEVVVXLNSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HVSGNYDJYBCMBH-WEVVVXLNSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCN(CC3)c3ccc(cc3)C(F)(F)F)cc2)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 786757, &quot;data-inchi_base&quot;: &quot;HXBHDQRSGAFFQN-SANMLTNESA&quot;, &quot;mols2grid-id&quot;: 402, &quot;data-Ligand_InChI_Key&quot;: &quot;HXBHDQRSGAFFQN-SANMLTNESA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 402, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;786757&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCN(CC3)c3ccc(cc3)C(F)(F)F)cc2)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HXBHDQRSGAFFQN-SANMLTNESA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HXBHDQRSGAFFQN-SANMLTNESA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC#C[C@@H](CC([O-])=O)c1ccc(OCc2ccc(CN3CCN(CC3)c3ccc(cc3)C(F)(F)F)cc2)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 786759, &quot;data-inchi_base&quot;: &quot;HXBHDQRSGAFFQN-SANMLTNESA&quot;, &quot;mols2grid-id&quot;: 403, &quot;data-Ligand_InChI_Key&quot;: &quot;HXBHDQRSGAFFQN-SANMLTNESA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 403, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;786759&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC#C[C@@H](CC([O-])=O)c1ccc(OCc2ccc(CN3CCN(CC3)c3ccc(cc3)C(F)(F)F)cc2)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HXBHDQRSGAFFQN-SANMLTNESA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HXBHDQRSGAFFQN-SANMLTNESA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC[Hg]Sc1ccccc1C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 148291, &quot;data-inchi_base&quot;: &quot;HXQVQGWHFRNKMS-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 404, &quot;data-Ligand_InChI_Key&quot;: &quot;HXQVQGWHFRNKMS-UHFFFAOYSA-L&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 404, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;148291&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC[Hg]Sc1ccccc1C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HXQVQGWHFRNKMS-UHFFFAOYSA-L&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HXQVQGWHFRNKMS-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC[Hg]Sc1ccccc1C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50721844, &quot;data-inchi_base&quot;: &quot;HXQVQGWHFRNKMS-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 405, &quot;data-Ligand_InChI_Key&quot;: &quot;HXQVQGWHFRNKMS-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 405, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50721844&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC[Hg]Sc1ccccc1C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HXQVQGWHFRNKMS-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HXQVQGWHFRNKMS-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC\\\\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 293325, &quot;data-inchi_base&quot;: &quot;HZZVJAQRINQKSD-PBFISZAISA&quot;, &quot;mols2grid-id&quot;: 406, &quot;data-Ligand_InChI_Key&quot;: &quot;HZZVJAQRINQKSD-PBFISZAISA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 406, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;293325&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC\\\\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HZZVJAQRINQKSD-PBFISZAISA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HZZVJAQRINQKSD-PBFISZAISA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC\\\\C=C1/O[C@@H]2CC(=O)N2[C@H]1C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50041448, &quot;data-inchi_base&quot;: &quot;HZZVJAQRINQKSD-PBFISZAISA&quot;, &quot;mols2grid-id&quot;: 407, &quot;data-Ligand_InChI_Key&quot;: &quot;HZZVJAQRINQKSD-PBFISZAISA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 407, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50041448&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC\\\\C=C1/O[C@@H]2CC(=O)N2[C@H]1C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HZZVJAQRINQKSD-PBFISZAISA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;HZZVJAQRINQKSD-PBFISZAISA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)Cc1ccc2[nH]c3CCN(Cc4ccccc4)Cc3c2c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50705098, &quot;data-inchi_base&quot;: &quot;IAGKSXPAAZNNHV-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 408, &quot;data-Ligand_InChI_Key&quot;: &quot;IAGKSXPAAZNNHV-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 408, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50705098&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)Cc1ccc2[nH]c3CCN(Cc4ccccc4)Cc3c2c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IAGKSXPAAZNNHV-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IAGKSXPAAZNNHV-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[K+].[O-]C(=O)Cc1ccc2[nH]c3CCN(Cc4ccccc4)Cc3c2c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51167725, &quot;data-inchi_base&quot;: &quot;IAGKSXPAAZNNHV-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 409, &quot;data-Ligand_InChI_Key&quot;: &quot;IAGKSXPAAZNNHV-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 409, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51167725&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[K+].[O-]C(=O)Cc1ccc2[nH]c3CCN(Cc4ccccc4)Cc3c2c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IAGKSXPAAZNNHV-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IAGKSXPAAZNNHV-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[C@@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1nc(no1)-c1ccc(cc1Cl)S(C)(=O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 20831, &quot;data-inchi_base&quot;: &quot;IAGPOWLWJPTTOM-BHDSKKPTSA&quot;, &quot;mols2grid-id&quot;: 410, &quot;data-Ligand_InChI_Key&quot;: &quot;IAGPOWLWJPTTOM-BHDSKKPTSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 410, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;20831&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[C@@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1nc(no1)-c1ccc(cc1Cl)S(C)(=O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IAGPOWLWJPTTOM-BHDSKKPTSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IAGPOWLWJPTTOM-BHDSKKPTSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[C@@H]([C@H](N)C(=O)N1CC[C@H](F)C1)c1nc(no1)-c1ccc(cc1Cl)S(C)(=O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50416549, &quot;data-inchi_base&quot;: &quot;IAGPOWLWJPTTOM-BHDSKKPTSA&quot;, &quot;mols2grid-id&quot;: 411, &quot;data-Ligand_InChI_Key&quot;: &quot;IAGPOWLWJPTTOM-BHDSKKPTSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 411, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50416549&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[C@@H]([C@H](N)C(=O)N1CC[C@H](F)C1)c1nc(no1)-c1ccc(cc1Cl)S(C)(=O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IAGPOWLWJPTTOM-BHDSKKPTSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IAGPOWLWJPTTOM-BHDSKKPTSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CP([O-])(=O)CCC(N)C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 158227, &quot;data-inchi_base&quot;: &quot;IAJOBQBIJHVGMQ-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 412, &quot;data-Ligand_InChI_Key&quot;: &quot;IAJOBQBIJHVGMQ-UHFFFAOYSA-L&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 412, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;158227&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CP([O-])(=O)CCC(N)C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IAJOBQBIJHVGMQ-UHFFFAOYSA-L&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IAJOBQBIJHVGMQ-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CP([O-])(=O)CCC([NH3+])C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 176924, &quot;data-inchi_base&quot;: &quot;IAJOBQBIJHVGMQ-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 413, &quot;data-Ligand_InChI_Key&quot;: &quot;IAJOBQBIJHVGMQ-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 413, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;176924&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CP([O-])(=O)CCC([NH3+])C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IAJOBQBIJHVGMQ-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IAJOBQBIJHVGMQ-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC[C@H]1C[C@@H](Nc2nc(Nc3cccnc3)ncc2-c2nc3ccncc3s2)[C@H](O)[C@@H]1O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50386049, &quot;data-inchi_base&quot;: &quot;IAQALNICVITHMH-PTFKWJCZSA&quot;, &quot;mols2grid-id&quot;: 414, &quot;data-Ligand_InChI_Key&quot;: &quot;IAQALNICVITHMH-PTFKWJCZSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 414, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50386049&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC[C@H]1C[C@@H](Nc2nc(Nc3cccnc3)ncc2-c2nc3ccncc3s2)[C@H](O)[C@@H]1O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IAQALNICVITHMH-PTFKWJCZSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IAQALNICVITHMH-PTFKWJCZSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC[C@H]1C[C@@H](Nc2[nH+]c(Nc3cccnc3)ncc2-c2nc3ccncc3s2)[C@H](O)[C@@H]1O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 580223, &quot;data-inchi_base&quot;: &quot;IAQALNICVITHMH-PTFKWJCZSA&quot;, &quot;mols2grid-id&quot;: 415, &quot;data-Ligand_InChI_Key&quot;: &quot;IAQALNICVITHMH-PTFKWJCZSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 415, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;580223&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC[C@H]1C[C@@H](Nc2[nH+]c(Nc3cccnc3)ncc2-c2nc3ccncc3s2)[C@H](O)[C@@H]1O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IAQALNICVITHMH-PTFKWJCZSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IAQALNICVITHMH-PTFKWJCZSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC[NH+](CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 199812, &quot;data-inchi_base&quot;: &quot;IFPPYSWJNWHOLQ-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 416, &quot;data-Ligand_InChI_Key&quot;: &quot;IFPPYSWJNWHOLQ-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 416, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;199812&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC[NH+](CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IFPPYSWJNWHOLQ-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IFPPYSWJNWHOLQ-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 4150, &quot;data-inchi_base&quot;: &quot;IFPPYSWJNWHOLQ-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 417, &quot;data-Ligand_InChI_Key&quot;: &quot;IFPPYSWJNWHOLQ-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 417, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;4150&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IFPPYSWJNWHOLQ-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IFPPYSWJNWHOLQ-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[Na+].[Na+].[Na+].[Na+].CC(C)=CCC\\\\C(C)=C\\\\CCCn1cc(CC(P([O-])([O-])=O)P([O-])([O-])=O)nn1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50742690, &quot;data-inchi_base&quot;: &quot;IGIUCUCCIXTMSG-RIYZIHGNSA&quot;, &quot;mols2grid-id&quot;: 418, &quot;data-Ligand_InChI_Key&quot;: &quot;IGIUCUCCIXTMSG-RIYZIHGNSA-J&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 418, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50742690&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[Na+].[Na+].[Na+].[Na+].CC(C)=CCC\\\\C(C)=C\\\\CCCn1cc(CC(P([O-])([O-])=O)P([O-])([O-])=O)nn1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IGIUCUCCIXTMSG-RIYZIHGNSA-J&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IGIUCUCCIXTMSG-RIYZIHGNSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(C)=CCC\\\\C(C)=C\\\\CCCn1cc(CC(P(O)(O)=O)P(O)(O)=O)nn1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 1151821, &quot;data-inchi_base&quot;: &quot;IGIUCUCCIXTMSG-RIYZIHGNSA&quot;, &quot;mols2grid-id&quot;: 419, &quot;data-Ligand_InChI_Key&quot;: &quot;IGIUCUCCIXTMSG-RIYZIHGNSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 419, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;1151821&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(C)=CCC\\\\C(C)=C\\\\CCCn1cc(CC(P(O)(O)=O)P(O)(O)=O)nn1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IGIUCUCCIXTMSG-RIYZIHGNSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IGIUCUCCIXTMSG-RIYZIHGNSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Cl.NCCOc1ccc(cc1-c1ccc(F)cc1)C(N)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51219727, &quot;data-inchi_base&quot;: &quot;IGMLOIFCDFPUST-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 420, &quot;data-Ligand_InChI_Key&quot;: &quot;IGMLOIFCDFPUST-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 420, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51219727&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cl.NCCOc1ccc(cc1-c1ccc(F)cc1)C(N)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IGMLOIFCDFPUST-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IGMLOIFCDFPUST-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;NC(=O)c1ccc(OCC[NH3+])c(c1)-c1ccc(F)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 1236487, &quot;data-inchi_base&quot;: &quot;IGMLOIFCDFPUST-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 421, &quot;data-Ligand_InChI_Key&quot;: &quot;IGMLOIFCDFPUST-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 421, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;1236487&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NC(=O)c1ccc(OCC[NH3+])c(c1)-c1ccc(F)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IGMLOIFCDFPUST-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IGMLOIFCDFPUST-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCCC[P+](CCCC)(CCCC)Cc1ccc(NC(=O)[C@H](Cc2cccc3ccccc23)N\\\\C(NC2CCCCC2)=[NH+]\\\\C2CCCCC2)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50764991, &quot;data-inchi_base&quot;: &quot;IGSIRMYXANPFED-QLKFWGTOSA&quot;, &quot;mols2grid-id&quot;: 422, &quot;data-Ligand_InChI_Key&quot;: &quot;IGSIRMYXANPFED-QLKFWGTOSA-P&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 422, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50764991&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCC[P+](CCCC)(CCCC)Cc1ccc(NC(=O)[C@H](Cc2cccc3ccccc23)N\\\\C(NC2CCCCC2)=[NH+]\\\\C2CCCCC2)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IGSIRMYXANPFED-QLKFWGTOSA-P&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IGSIRMYXANPFED-QLKFWGTOSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCCC[P+](CCCC)(CCCC)Cc1ccc(NC(=O)[C@H](Cc2cccc3ccccc23)N=C(NC2CCCCC2)NC2CCCCC2)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50725023, &quot;data-inchi_base&quot;: &quot;IGSIRMYXANPFED-QLKFWGTOSA&quot;, &quot;mols2grid-id&quot;: 423, &quot;data-Ligand_InChI_Key&quot;: &quot;IGSIRMYXANPFED-QLKFWGTOSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 423, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50725023&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCC[P+](CCCC)(CCCC)Cc1ccc(NC(=O)[C@H](Cc2cccc3ccccc23)N=C(NC2CCCCC2)NC2CCCCC2)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IGSIRMYXANPFED-QLKFWGTOSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IGSIRMYXANPFED-QLKFWGTOSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[O-]S(=O)(=O)c1ccc2NC(=O)\\\\C(=C3/Nc4ccccc4C3=O)c2c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50910366, &quot;data-inchi_base&quot;: &quot;IHBOEHLUIBMBMY-YPKPFQOOSA&quot;, &quot;mols2grid-id&quot;: 424, &quot;data-Ligand_InChI_Key&quot;: &quot;IHBOEHLUIBMBMY-YPKPFQOOSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 424, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50910366&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[O-]S(=O)(=O)c1ccc2NC(=O)\\\\C(=C3/Nc4ccccc4C3=O)c2c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IHBOEHLUIBMBMY-YPKPFQOOSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IHBOEHLUIBMBMY-YPKPFQOOSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OS(=O)(=O)c1ccc2NC(=O)\\\\C(=C3/Nc4ccccc4C3=O)c2c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51471874, &quot;data-inchi_base&quot;: &quot;IHBOEHLUIBMBMY-YPKPFQOOSA&quot;, &quot;mols2grid-id&quot;: 425, &quot;data-Ligand_InChI_Key&quot;: &quot;IHBOEHLUIBMBMY-YPKPFQOOSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 425, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51471874&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OS(=O)(=O)c1ccc2NC(=O)\\\\C(=C3/Nc4ccccc4C3=O)c2c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IHBOEHLUIBMBMY-YPKPFQOOSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IHBOEHLUIBMBMY-YPKPFQOOSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;NS([O-])(=O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50629747, &quot;data-inchi_base&quot;: &quot;IIACRCGMVDHOTQ-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 426, &quot;data-Ligand_InChI_Key&quot;: &quot;IIACRCGMVDHOTQ-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 426, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50629747&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NS([O-])(=O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IIACRCGMVDHOTQ-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IIACRCGMVDHOTQ-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;NS(O)(=O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 49458, &quot;data-inchi_base&quot;: &quot;IIACRCGMVDHOTQ-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 427, &quot;data-Ligand_InChI_Key&quot;: &quot;IIACRCGMVDHOTQ-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 427, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;49458&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NS(O)(=O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IIACRCGMVDHOTQ-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IIACRCGMVDHOTQ-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[O-]c1c(I)cc2c(Oc3c(I)c([O-])c(I)cc3C22OC(=O)c3c2c(Cl)c(Cl)c(Cl)c3Cl)c1I&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50810934, &quot;data-inchi_base&quot;: &quot;IICCLYANAQEHCI-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 428, &quot;data-Ligand_InChI_Key&quot;: &quot;IICCLYANAQEHCI-UHFFFAOYSA-L&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 428, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50810934&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[O-]c1c(I)cc2c(Oc3c(I)c([O-])c(I)cc3C22OC(=O)c3c2c(Cl)c(Cl)c(Cl)c3Cl)c1I&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IICCLYANAQEHCI-UHFFFAOYSA-L&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IICCLYANAQEHCI-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Oc1c(I)cc2c(Oc3c(I)c(O)c(I)cc3C22OC(=O)c3c2c(Cl)c(Cl)c(Cl)c3Cl)c1I&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50754113, &quot;data-inchi_base&quot;: &quot;IICCLYANAQEHCI-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 429, &quot;data-Ligand_InChI_Key&quot;: &quot;IICCLYANAQEHCI-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 429, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50754113&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Oc1c(I)cc2c(Oc3c(I)c(O)c(I)cc3C22OC(=O)c3c2c(Cl)c(Cl)c(Cl)c3Cl)c1I&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IICCLYANAQEHCI-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IICCLYANAQEHCI-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OP(O)(=O)C(F)(F)COCC(F)(F)P(O)(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51147429, &quot;data-inchi_base&quot;: &quot;IJORJSXBJKPDPO-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 430, &quot;data-Ligand_InChI_Key&quot;: &quot;IJORJSXBJKPDPO-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 430, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51147429&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OP(O)(=O)C(F)(F)COCC(F)(F)P(O)(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IJORJSXBJKPDPO-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IJORJSXBJKPDPO-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[O-]P([O-])(=O)C(F)(F)COCC(F)(F)P([O-])([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50787531, &quot;data-inchi_base&quot;: &quot;IJORJSXBJKPDPO-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 431, &quot;data-Ligand_InChI_Key&quot;: &quot;IJORJSXBJKPDPO-UHFFFAOYSA-J&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 431, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50787531&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[O-]P([O-])(=O)C(F)(F)COCC(F)(F)P([O-])([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IJORJSXBJKPDPO-UHFFFAOYSA-J&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IJORJSXBJKPDPO-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCN(CC)c1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)C(Br)(Br)P([O-])([O-])=O)[C@@H](O)[C@H]1O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50843055, &quot;data-inchi_base&quot;: &quot;ILXFKEOLRYLPJG-IDTAVKCVSA&quot;, &quot;mols2grid-id&quot;: 432, &quot;data-Ligand_InChI_Key&quot;: &quot;ILXFKEOLRYLPJG-IDTAVKCVSA-J&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 432, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50843055&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCN(CC)c1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)C(Br)(Br)P([O-])([O-])=O)[C@@H](O)[C@H]1O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ILXFKEOLRYLPJG-IDTAVKCVSA-J&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ILXFKEOLRYLPJG-IDTAVKCVSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCN(CC)c1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)C(Br)(Br)P(O)(O)=O)[C@@H](O)[C@H]1O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50501014, &quot;data-inchi_base&quot;: &quot;ILXFKEOLRYLPJG-IDTAVKCVSA&quot;, &quot;mols2grid-id&quot;: 433, &quot;data-Ligand_InChI_Key&quot;: &quot;ILXFKEOLRYLPJG-IDTAVKCVSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 433, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50501014&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCN(CC)c1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)C(Br)(Br)P(O)(O)=O)[C@@H](O)[C@H]1O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ILXFKEOLRYLPJG-IDTAVKCVSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ILXFKEOLRYLPJG-IDTAVKCVSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(COc1cccc2oc(cc(=O)c12)C([O-])=O)COc1cccc2oc(cc(=O)c12)C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50028850, &quot;data-inchi_base&quot;: &quot;IMZMKUWMOSJXDT-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 434, &quot;data-Ligand_InChI_Key&quot;: &quot;IMZMKUWMOSJXDT-UHFFFAOYSA-L&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 434, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50028850&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(COc1cccc2oc(cc(=O)c12)C([O-])=O)COc1cccc2oc(cc(=O)c12)C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IMZMKUWMOSJXDT-UHFFFAOYSA-L&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IMZMKUWMOSJXDT-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(COc1cccc2oc(cc(=O)c12)C(O)=O)COc1cccc2oc(cc(=O)c12)C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50375375, &quot;data-inchi_base&quot;: &quot;IMZMKUWMOSJXDT-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 435, &quot;data-Ligand_InChI_Key&quot;: &quot;IMZMKUWMOSJXDT-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 435, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50375375&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(COc1cccc2oc(cc(=O)c12)C(O)=O)COc1cccc2oc(cc(=O)c12)C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IMZMKUWMOSJXDT-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IMZMKUWMOSJXDT-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1cc(NC(C)CCCN)c2ncccc2c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 203071, &quot;data-inchi_base&quot;: &quot;INDBQLZJXZLFIT-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 436, &quot;data-Ligand_InChI_Key&quot;: &quot;INDBQLZJXZLFIT-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 436, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;203071&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1cc(NC(C)CCCN)c2ncccc2c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;INDBQLZJXZLFIT-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;INDBQLZJXZLFIT-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1cc(NC(C)CCC[NH3+])c2ncccc2c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 76309, &quot;data-inchi_base&quot;: &quot;INDBQLZJXZLFIT-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 437, &quot;data-Ligand_InChI_Key&quot;: &quot;INDBQLZJXZLFIT-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 437, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;76309&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1cc(NC(C)CCC[NH3+])c2ncccc2c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;INDBQLZJXZLFIT-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;INDBQLZJXZLFIT-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C\\\\C(CO)=C/CCP(O)(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50733497, &quot;data-inchi_base&quot;: &quot;INJCOBJBYNCOEW-ZZXKWVIFSA&quot;, &quot;mols2grid-id&quot;: 438, &quot;data-Ligand_InChI_Key&quot;: &quot;INJCOBJBYNCOEW-ZZXKWVIFSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 438, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50733497&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C\\\\C(CO)=C/CCP(O)(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;INJCOBJBYNCOEW-ZZXKWVIFSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;INJCOBJBYNCOEW-ZZXKWVIFSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[Na+].[Na+].C\\\\C(CO)=C/CCP([O-])([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50984605, &quot;data-inchi_base&quot;: &quot;INJCOBJBYNCOEW-ZZXKWVIFSA&quot;, &quot;mols2grid-id&quot;: 439, &quot;data-Ligand_InChI_Key&quot;: &quot;INJCOBJBYNCOEW-ZZXKWVIFSA-L&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 439, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50984605&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[Na+].[Na+].C\\\\C(CO)=C/CCP([O-])([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;INJCOBJBYNCOEW-ZZXKWVIFSA-L&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;INJCOBJBYNCOEW-ZZXKWVIFSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1cccc(\\\\C=C(/CC(O)=O)c2nc3ccccc3s2)c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51409177, &quot;data-inchi_base&quot;: &quot;INZMANTZZFBIJO-UKTHLTGXSA&quot;, &quot;mols2grid-id&quot;: 440, &quot;data-Ligand_InChI_Key&quot;: &quot;INZMANTZZFBIJO-UKTHLTGXSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 440, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51409177&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1cccc(\\\\C=C(/CC(O)=O)c2nc3ccccc3s2)c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;INZMANTZZFBIJO-UKTHLTGXSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;INZMANTZZFBIJO-UKTHLTGXSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1cccc(\\\\C=C(/CC([O-])=O)c2nc3ccccc3s2)c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50878750, &quot;data-inchi_base&quot;: &quot;INZMANTZZFBIJO-UKTHLTGXSA&quot;, &quot;mols2grid-id&quot;: 441, &quot;data-Ligand_InChI_Key&quot;: &quot;INZMANTZZFBIJO-UKTHLTGXSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 441, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50878750&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1cccc(\\\\C=C(/CC([O-])=O)c2nc3ccccc3s2)c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;INZMANTZZFBIJO-UKTHLTGXSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;INZMANTZZFBIJO-UKTHLTGXSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;ON=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50468300, &quot;data-inchi_base&quot;: &quot;IOVCWXUNBOPUCH-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 442, &quot;data-Ligand_InChI_Key&quot;: &quot;IOVCWXUNBOPUCH-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 442, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50468300&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ON=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IOVCWXUNBOPUCH-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IOVCWXUNBOPUCH-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[O-]N=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 49453, &quot;data-inchi_base&quot;: &quot;IOVCWXUNBOPUCH-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 443, &quot;data-Ligand_InChI_Key&quot;: &quot;IOVCWXUNBOPUCH-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 443, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;49453&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[O-]N=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IOVCWXUNBOPUCH-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IOVCWXUNBOPUCH-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1ccc2CN(Cc3ccc(COc4ccc(cc4)[C@H](CC([O-])=O)C#CC)cc3)CCc2c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 786786, &quot;data-inchi_base&quot;: &quot;IQHBMZZZRJYAMZ-VWLOTQADSA&quot;, &quot;mols2grid-id&quot;: 444, &quot;data-Ligand_InChI_Key&quot;: &quot;IQHBMZZZRJYAMZ-VWLOTQADSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 444, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;786786&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1ccc2CN(Cc3ccc(COc4ccc(cc4)[C@H](CC([O-])=O)C#CC)cc3)CCc2c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IQHBMZZZRJYAMZ-VWLOTQADSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IQHBMZZZRJYAMZ-VWLOTQADSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1ccc2CN(Cc3ccc(COc4ccc(cc4)[C@H](CC(O)=O)C#CC)cc3)CCc2c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 786760, &quot;data-inchi_base&quot;: &quot;IQHBMZZZRJYAMZ-VWLOTQADSA&quot;, &quot;mols2grid-id&quot;: 445, &quot;data-Ligand_InChI_Key&quot;: &quot;IQHBMZZZRJYAMZ-VWLOTQADSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 445, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;786760&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1ccc2CN(Cc3ccc(COc4ccc(cc4)[C@H](CC(O)=O)C#CC)cc3)CCc2c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IQHBMZZZRJYAMZ-VWLOTQADSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IQHBMZZZRJYAMZ-VWLOTQADSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(=O)NCCNc1ncnc2n(cnc12)C1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50744103, &quot;data-inchi_base&quot;: &quot;IQLSZVIBSSZSBX-OYBGHCQBSA&quot;, &quot;mols2grid-id&quot;: 446, &quot;data-Ligand_InChI_Key&quot;: &quot;IQLSZVIBSSZSBX-OYBGHCQBSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 446, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50744103&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(=O)NCCNc1ncnc2n(cnc12)C1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IQLSZVIBSSZSBX-OYBGHCQBSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IQLSZVIBSSZSBX-OYBGHCQBSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(=O)NCCNc1ncnc2n(cnc12)C1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50744000, &quot;data-inchi_base&quot;: &quot;IQLSZVIBSSZSBX-OYBGHCQBSA&quot;, &quot;mols2grid-id&quot;: 447, &quot;data-Ligand_InChI_Key&quot;: &quot;IQLSZVIBSSZSBX-OYBGHCQBSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 447, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50744000&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(=O)NCCNc1ncnc2n(cnc12)C1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IQLSZVIBSSZSBX-OYBGHCQBSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IQLSZVIBSSZSBX-OYBGHCQBSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Cn1c(O)c(C2=Nc3ccccc3\\\\C2=N/OCC[NH+]2CCOCC2)c2cccc(Br)c12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51002945, &quot;data-inchi_base&quot;: &quot;IQVRKNXUDGEEJQ-LHLOQNFPSA&quot;, &quot;mols2grid-id&quot;: 448, &quot;data-Ligand_InChI_Key&quot;: &quot;IQVRKNXUDGEEJQ-LHLOQNFPSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 448, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51002945&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cn1c(O)c(C2=Nc3ccccc3\\\\C2=N/OCC[NH+]2CCOCC2)c2cccc(Br)c12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IQVRKNXUDGEEJQ-LHLOQNFPSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IQVRKNXUDGEEJQ-LHLOQNFPSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Cn1c(O)c(C2=Nc3ccccc3\\\\C2=N/OCCN2CCOCC2)c2cccc(Br)c12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51002900, &quot;data-inchi_base&quot;: &quot;IQVRKNXUDGEEJQ-LHLOQNFPSA&quot;, &quot;mols2grid-id&quot;: 449, &quot;data-Ligand_InChI_Key&quot;: &quot;IQVRKNXUDGEEJQ-LHLOQNFPSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 449, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51002900&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cn1c(O)c(C2=Nc3ccccc3\\\\C2=N/OCCN2CCOCC2)c2cccc(Br)c12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IQVRKNXUDGEEJQ-LHLOQNFPSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IQVRKNXUDGEEJQ-LHLOQNFPSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(C)=CCC\\\\C(C)=C\\\\CCCC(P(O)(O)=O)P(O)(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50048323, &quot;data-inchi_base&quot;: &quot;ISMDHWZGHKZNRH-XYOKQWHBSA&quot;, &quot;mols2grid-id&quot;: 450, &quot;data-Ligand_InChI_Key&quot;: &quot;ISMDHWZGHKZNRH-XYOKQWHBSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 450, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50048323&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(C)=CCC\\\\C(C)=C\\\\CCCC(P(O)(O)=O)P(O)(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ISMDHWZGHKZNRH-XYOKQWHBSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ISMDHWZGHKZNRH-XYOKQWHBSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(C)=CCC\\\\C(C)=C\\\\CCCC(P([O-])([O-])=O)P([O-])([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50079819, &quot;data-inchi_base&quot;: &quot;ISMDHWZGHKZNRH-XYOKQWHBSA&quot;, &quot;mols2grid-id&quot;: 451, &quot;data-Ligand_InChI_Key&quot;: &quot;ISMDHWZGHKZNRH-XYOKQWHBSA-J&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 451, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50079819&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(C)=CCC\\\\C(C)=C\\\\CCCC(P([O-])([O-])=O)P([O-])([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ISMDHWZGHKZNRH-XYOKQWHBSA-J&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ISMDHWZGHKZNRH-XYOKQWHBSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC1(C)Nc2c3CCCc3c(cc2C(C)(C)C1=O)-c1cccc2nncn12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50347061, &quot;data-inchi_base&quot;: &quot;IURHNFGBYOFFDB-WIYYLYMNSA&quot;, &quot;mols2grid-id&quot;: 452, &quot;data-Ligand_InChI_Key&quot;: &quot;IURHNFGBYOFFDB-WIYYLYMNSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 452, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50347061&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC1(C)Nc2c3CCCc3c(cc2C(C)(C)C1=O)-c1cccc2nncn12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IURHNFGBYOFFDB-WIYYLYMNSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IURHNFGBYOFFDB-WIYYLYMNSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCCN1Cc2c(C)cccc2[C@H]2[C@H]1CCc1cc(O)c(O)cc21&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50039739, &quot;data-inchi_base&quot;: &quot;IURHNFGBYOFFDB-WIYYLYMNSA&quot;, &quot;mols2grid-id&quot;: 453, &quot;data-Ligand_InChI_Key&quot;: &quot;IURHNFGBYOFFDB-WIYYLYMNSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 453, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50039739&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCN1Cc2c(C)cccc2[C@H]2[C@H]1CCc1cc(O)c(O)cc21&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IURHNFGBYOFFDB-WIYYLYMNSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IURHNFGBYOFFDB-WIYYLYMNSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)c2ccccc2)C(=O)C1=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 222309, &quot;data-inchi_base&quot;: &quot;IVBHGBMCVLDMKU-GXNBUGAJSA&quot;, &quot;mols2grid-id&quot;: 454, &quot;data-Ligand_InChI_Key&quot;: &quot;IVBHGBMCVLDMKU-GXNBUGAJSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 454, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;222309&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)c2ccccc2)C(=O)C1=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IVBHGBMCVLDMKU-GXNBUGAJSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IVBHGBMCVLDMKU-GXNBUGAJSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C([O-])=O)c2ccccc2)C(=O)C1=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 73955, &quot;data-inchi_base&quot;: &quot;IVBHGBMCVLDMKU-GXNBUGAJSA&quot;, &quot;mols2grid-id&quot;: 455, &quot;data-Ligand_InChI_Key&quot;: &quot;IVBHGBMCVLDMKU-GXNBUGAJSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 455, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;73955&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C([O-])=O)c2ccccc2)C(=O)C1=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IVBHGBMCVLDMKU-GXNBUGAJSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IVBHGBMCVLDMKU-GXNBUGAJSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;NC(=[NH2+])c1cccc(c1)N1CCCCN(C2CCN(Cc3ccccc3)CC2)C1=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50731825, &quot;data-inchi_base&quot;: &quot;IVFAJJALDLLBIV-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 456, &quot;data-Ligand_InChI_Key&quot;: &quot;IVFAJJALDLLBIV-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 456, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50731825&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NC(=[NH2+])c1cccc(c1)N1CCCCN(C2CCN(Cc3ccccc3)CC2)C1=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IVFAJJALDLLBIV-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IVFAJJALDLLBIV-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;NC(=N)c1cccc(c1)N1CCCCN(C2CCN(Cc3ccccc3)CC2)C1=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50124262, &quot;data-inchi_base&quot;: &quot;IVFAJJALDLLBIV-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 457, &quot;data-Ligand_InChI_Key&quot;: &quot;IVFAJJALDLLBIV-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 457, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50124262&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NC(=N)c1cccc(c1)N1CCCCN(C2CCN(Cc3ccccc3)CC2)C1=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IVFAJJALDLLBIV-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IVFAJJALDLLBIV-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP([O-])(=O)O[C@H]2[C@H]1O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 153366, &quot;data-inchi_base&quot;: &quot;IVOMOUWHDPKRLL-KQYNXXCUSA&quot;, &quot;mols2grid-id&quot;: 458, &quot;data-Ligand_InChI_Key&quot;: &quot;IVOMOUWHDPKRLL-KQYNXXCUSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 458, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;153366&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP([O-])(=O)O[C@H]2[C@H]1O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IVOMOUWHDPKRLL-KQYNXXCUSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IVOMOUWHDPKRLL-KQYNXXCUSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]2[C@H]1O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 210177, &quot;data-inchi_base&quot;: &quot;IVOMOUWHDPKRLL-KQYNXXCUSA&quot;, &quot;mols2grid-id&quot;: 459, &quot;data-Ligand_InChI_Key&quot;: &quot;IVOMOUWHDPKRLL-KQYNXXCUSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 459, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;210177&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]2[C@H]1O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IVOMOUWHDPKRLL-KQYNXXCUSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IVOMOUWHDPKRLL-KQYNXXCUSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(O)(=O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50026347, &quot;data-inchi_base&quot;: &quot;IWALGNIFYOBRKC-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 460, &quot;data-Ligand_InChI_Key&quot;: &quot;IWALGNIFYOBRKC-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 460, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50026347&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(O)(=O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IWALGNIFYOBRKC-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IWALGNIFYOBRKC-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S([O-])(=O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50201243, &quot;data-inchi_base&quot;: &quot;IWALGNIFYOBRKC-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 461, &quot;data-Ligand_InChI_Key&quot;: &quot;IWALGNIFYOBRKC-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 461, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50201243&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S([O-])(=O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IWALGNIFYOBRKC-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IWALGNIFYOBRKC-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)C(Oc1cc(O)cc(c1)C([O-])=O)C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50724250, &quot;data-inchi_base&quot;: &quot;IZVXMOCORVGKTD-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 462, &quot;data-Ligand_InChI_Key&quot;: &quot;IZVXMOCORVGKTD-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 462, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50724250&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)C(Oc1cc(O)cc(c1)C([O-])=O)C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IZVXMOCORVGKTD-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IZVXMOCORVGKTD-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)C(Oc1cc(O)cc(c1)C(O)=O)C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50725827, &quot;data-inchi_base&quot;: &quot;IZVXMOCORVGKTD-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 463, &quot;data-Ligand_InChI_Key&quot;: &quot;IZVXMOCORVGKTD-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 463, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50725827&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)C(Oc1cc(O)cc(c1)C(O)=O)C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IZVXMOCORVGKTD-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;IZVXMOCORVGKTD-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)C[C@H]1CCC(CC1)c1ccc(NC(=O)CCNC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2Cl)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 390714, &quot;data-inchi_base&quot;: &quot;JAWKFUAPEMFQPR-XPIKVJKASA&quot;, &quot;mols2grid-id&quot;: 464, &quot;data-Ligand_InChI_Key&quot;: &quot;JAWKFUAPEMFQPR-XPIKVJKASA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 464, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;390714&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)C[C@H]1CCC(CC1)c1ccc(NC(=O)CCNC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2Cl)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JAWKFUAPEMFQPR-XPIKVJKASA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JAWKFUAPEMFQPR-XPIKVJKASA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[O-]C(=O)C[C@H]1CCC(CC1)c1ccc(NC(=O)CCNC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2Cl)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 390737, &quot;data-inchi_base&quot;: &quot;JAWKFUAPEMFQPR-XPIKVJKASA&quot;, &quot;mols2grid-id&quot;: 465, &quot;data-Ligand_InChI_Key&quot;: &quot;JAWKFUAPEMFQPR-XPIKVJKASA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 465, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;390737&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[O-]C(=O)C[C@H]1CCC(CC1)c1ccc(NC(=O)CCNC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2Cl)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JAWKFUAPEMFQPR-XPIKVJKASA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JAWKFUAPEMFQPR-XPIKVJKASA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1cc(\\\\C=C\\\\c2ccc3ccc(C(O)=O)c(O)c3n2)cc(OC)c1O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50118091, &quot;data-inchi_base&quot;: &quot;JAYZCPRQQOZLMY-ZZXKWVIFSA&quot;, &quot;mols2grid-id&quot;: 466, &quot;data-Ligand_InChI_Key&quot;: &quot;JAYZCPRQQOZLMY-ZZXKWVIFSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 466, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50118091&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1cc(\\\\C=C\\\\c2ccc3ccc(C(O)=O)c(O)c3n2)cc(OC)c1O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JAYZCPRQQOZLMY-ZZXKWVIFSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JAYZCPRQQOZLMY-ZZXKWVIFSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[Na+].COc1cc(\\\\C=C\\\\c2ccc3ccc(C([O-])=O)c(O)c3n2)cc(OC)c1O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51175964, &quot;data-inchi_base&quot;: &quot;JAYZCPRQQOZLMY-ZZXKWVIFSA&quot;, &quot;mols2grid-id&quot;: 467, &quot;data-Ligand_InChI_Key&quot;: &quot;JAYZCPRQQOZLMY-ZZXKWVIFSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 467, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51175964&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[Na+].COc1cc(\\\\C=C\\\\c2ccc3ccc(C([O-])=O)c(O)c3n2)cc(OC)c1O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JAYZCPRQQOZLMY-ZZXKWVIFSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JAYZCPRQQOZLMY-ZZXKWVIFSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[C@H](Cc1ccc2OC(Oc2c1)(C([O-])=O)C([O-])=O)NC[C@H](O)c1cccc(Cl)c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50003576, &quot;data-inchi_base&quot;: &quot;JEDJMKTVUPSHFW-ABAIWWIYSA&quot;, &quot;mols2grid-id&quot;: 468, &quot;data-Ligand_InChI_Key&quot;: &quot;JEDJMKTVUPSHFW-ABAIWWIYSA-L&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 468, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50003576&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[C@H](Cc1ccc2OC(Oc2c1)(C([O-])=O)C([O-])=O)NC[C@H](O)c1cccc(Cl)c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JEDJMKTVUPSHFW-ABAIWWIYSA-L&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JEDJMKTVUPSHFW-ABAIWWIYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[C@H](Cc1ccc2OC(Oc2c1)(C(O)=O)C(O)=O)NC[C@H](O)c1cccc(Cl)c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 46511, &quot;data-inchi_base&quot;: &quot;JEDJMKTVUPSHFW-ABAIWWIYSA&quot;, &quot;mols2grid-id&quot;: 469, &quot;data-Ligand_InChI_Key&quot;: &quot;JEDJMKTVUPSHFW-ABAIWWIYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 469, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;46511&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[C@H](Cc1ccc2OC(Oc2c1)(C(O)=O)C(O)=O)NC[C@H](O)c1cccc(Cl)c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JEDJMKTVUPSHFW-ABAIWWIYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JEDJMKTVUPSHFW-ABAIWWIYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[O-]C(=O)CCCC([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50872046, &quot;data-inchi_base&quot;: &quot;JFCQEDHGNNZCLN-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 470, &quot;data-Ligand_InChI_Key&quot;: &quot;JFCQEDHGNNZCLN-UHFFFAOYSA-L&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 470, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50872046&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[O-]C(=O)CCCC([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JFCQEDHGNNZCLN-UHFFFAOYSA-L&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JFCQEDHGNNZCLN-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)CCCC(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51180335, &quot;data-inchi_base&quot;: &quot;JFCQEDHGNNZCLN-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 471, &quot;data-Ligand_InChI_Key&quot;: &quot;JFCQEDHGNNZCLN-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 471, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51180335&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)CCCC(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JFCQEDHGNNZCLN-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JFCQEDHGNNZCLN-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1cc2CC[N+](C)(C)C3Cc4ccc(O)c(Oc5cc6C(Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 153991, &quot;data-inchi_base&quot;: &quot;JFJZZMVDLULRGK-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 472, &quot;data-Ligand_InChI_Key&quot;: &quot;JFJZZMVDLULRGK-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 472, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;153991&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1cc2CC[N+](C)(C)C3Cc4ccc(O)c(Oc5cc6C(Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JFJZZMVDLULRGK-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JFJZZMVDLULRGK-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1cc2CC[N+](C)(C)C3Cc4ccc(O)c(Oc5cc6C(Cc7ccc(Oc(c1O)c23)cc7)[NH+](C)CCc6cc5OC)c4&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 186587, &quot;data-inchi_base&quot;: &quot;JFJZZMVDLULRGK-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 473, &quot;data-Ligand_InChI_Key&quot;: &quot;JFJZZMVDLULRGK-UHFFFAOYSA-P&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 473, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;186587&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1cc2CC[N+](C)(C)C3Cc4ccc(O)c(Oc5cc6C(Cc7ccc(Oc(c1O)c23)cc7)[NH+](C)CCc6cc5OC)c4&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JFJZZMVDLULRGK-UHFFFAOYSA-P&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JFJZZMVDLULRGK-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1cc2CC[N+](C)(C)[C@@H]3Cc4ccc(O)c(Oc5cc6[C@H](Cc7ccc(Oc(c1O)c23)cc7)[NH+](C)CCc6cc5OC)c4&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 153903, &quot;data-inchi_base&quot;: &quot;JFJZZMVDLULRGK-URLMMPGGSA&quot;, &quot;mols2grid-id&quot;: 474, &quot;data-Ligand_InChI_Key&quot;: &quot;JFJZZMVDLULRGK-URLMMPGGSA-P&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 474, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;153903&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1cc2CC[N+](C)(C)[C@@H]3Cc4ccc(O)c(Oc5cc6[C@H](Cc7ccc(Oc(c1O)c23)cc7)[NH+](C)CCc6cc5OC)c4&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JFJZZMVDLULRGK-URLMMPGGSA-P&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JFJZZMVDLULRGK-URLMMPGGSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1cc2CC[N+](C)(C)[C@@H]3Cc4ccc(O)c(Oc5cc6[C@H](Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50018223, &quot;data-inchi_base&quot;: &quot;JFJZZMVDLULRGK-URLMMPGGSA&quot;, &quot;mols2grid-id&quot;: 475, &quot;data-Ligand_InChI_Key&quot;: &quot;JFJZZMVDLULRGK-URLMMPGGSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 475, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50018223&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1cc2CC[N+](C)(C)[C@@H]3Cc4ccc(O)c(Oc5cc6[C@H](Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JFJZZMVDLULRGK-URLMMPGGSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JFJZZMVDLULRGK-URLMMPGGSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCOC(=O)CNC(=O)c1ccc(OP(=O)(Oc2ccc(cc2)C(=O)NCC(=O)OCC)C2CCCN2C(=O)C2CCCN2)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50404566, &quot;data-inchi_base&quot;: &quot;JFLWTONGCRBODS-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 476, &quot;data-Ligand_InChI_Key&quot;: &quot;JFLWTONGCRBODS-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 476, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50404566&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCOC(=O)CNC(=O)c1ccc(OP(=O)(Oc2ccc(cc2)C(=O)NCC(=O)OCC)C2CCCN2C(=O)C2CCCN2)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JFLWTONGCRBODS-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JFLWTONGCRBODS-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCOC(=O)CNC(=O)c1ccc(OP(=O)(Oc2ccc(cc2)C(=O)NCC(=O)OCC)C2CCCN2C(=O)C2CCC[NH2+]2)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50129817, &quot;data-inchi_base&quot;: &quot;JFLWTONGCRBODS-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 477, &quot;data-Ligand_InChI_Key&quot;: &quot;JFLWTONGCRBODS-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 477, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50129817&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCOC(=O)CNC(=O)c1ccc(OP(=O)(Oc2ccc(cc2)C(=O)NCC(=O)OCC)C2CCCN2C(=O)C2CCC[NH2+]2)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JFLWTONGCRBODS-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JFLWTONGCRBODS-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCCCOP(O)(=O)C(C)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50235724, &quot;data-inchi_base&quot;: &quot;JGFBWABEUCASTP-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 478, &quot;data-Ligand_InChI_Key&quot;: &quot;JGFBWABEUCASTP-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 478, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50235724&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCCOP(O)(=O)C(C)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JGFBWABEUCASTP-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JGFBWABEUCASTP-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[Li+].CCCCOP([O-])(=O)C(C)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51208943, &quot;data-inchi_base&quot;: &quot;JGFBWABEUCASTP-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 479, &quot;data-Ligand_InChI_Key&quot;: &quot;JGFBWABEUCASTP-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 479, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51208943&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[Li+].CCCCOP([O-])(=O)C(C)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JGFBWABEUCASTP-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JGFBWABEUCASTP-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 69317, &quot;data-inchi_base&quot;: &quot;JGSARLDLIJGVTE-MBNYWOFBSA&quot;, &quot;mols2grid-id&quot;: 480, &quot;data-Ligand_InChI_Key&quot;: &quot;JGSARLDLIJGVTE-MBNYWOFBSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 480, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;69317&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JGSARLDLIJGVTE-MBNYWOFBSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JGSARLDLIJGVTE-MBNYWOFBSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 377189, &quot;data-inchi_base&quot;: &quot;JGSARLDLIJGVTE-MBNYWOFBSA&quot;, &quot;mols2grid-id&quot;: 481, &quot;data-Ligand_InChI_Key&quot;: &quot;JGSARLDLIJGVTE-MBNYWOFBSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 481, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;377189&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JGSARLDLIJGVTE-MBNYWOFBSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JGSARLDLIJGVTE-MBNYWOFBSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@]3(C)C[C@H]2C(=O)Nc2nc(Br)ccc2C)c2c(C)cc(cc12)-c1cnc(C)[nH+]c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 1072368, &quot;data-inchi_base&quot;: &quot;JIHUPBGAEWTVSY-BURCIIJTSA&quot;, &quot;mols2grid-id&quot;: 482, &quot;data-Ligand_InChI_Key&quot;: &quot;JIHUPBGAEWTVSY-BURCIIJTSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 482, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;1072368&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@]3(C)C[C@H]2C(=O)Nc2nc(Br)ccc2C)c2c(C)cc(cc12)-c1cnc(C)[nH+]c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JIHUPBGAEWTVSY-BURCIIJTSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JIHUPBGAEWTVSY-BURCIIJTSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@]3(C)C[C@H]2C(=O)Nc2nc(Br)ccc2C)c2c(C)cc(cc12)-c1cnc(C)nc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 771666, &quot;data-inchi_base&quot;: &quot;JIHUPBGAEWTVSY-BURCIIJTSA&quot;, &quot;mols2grid-id&quot;: 483, &quot;data-Ligand_InChI_Key&quot;: &quot;JIHUPBGAEWTVSY-BURCIIJTSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 483, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;771666&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@]3(C)C[C@H]2C(=O)Nc2nc(Br)ccc2C)c2c(C)cc(cc12)-c1cnc(C)nc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JIHUPBGAEWTVSY-BURCIIJTSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JIHUPBGAEWTVSY-BURCIIJTSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(O)(=O)=O)ccc34)[C@@H]1CCC2=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 377166, &quot;data-inchi_base&quot;: &quot;JKKFKPJIXZFSSB-CBZIJGRNSA&quot;, &quot;mols2grid-id&quot;: 484, &quot;data-Ligand_InChI_Key&quot;: &quot;JKKFKPJIXZFSSB-CBZIJGRNSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 484, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;377166&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(O)(=O)=O)ccc34)[C@@H]1CCC2=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JKKFKPJIXZFSSB-CBZIJGRNSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JKKFKPJIXZFSSB-CBZIJGRNSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)c1sc2cc(ccc2c1CCCOc1cccc2ccccc12)-c1ccccc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 551568, &quot;data-inchi_base&quot;: &quot;JKKFKPJIXZFSSB-CBZIJGRNSA&quot;, &quot;mols2grid-id&quot;: 485, &quot;data-Ligand_InChI_Key&quot;: &quot;JKKFKPJIXZFSSB-CBZIJGRNSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 485, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;551568&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)c1sc2cc(ccc2c1CCCOc1cccc2ccccc12)-c1ccccc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JKKFKPJIXZFSSB-CBZIJGRNSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JKKFKPJIXZFSSB-CBZIJGRNSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC[NH+](CC)CCO\\\\N=C1\\\\C(=Nc2ccccc12)c1c(O)n(C)c2c(Br)cccc12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51002894, &quot;data-inchi_base&quot;: &quot;JKUWJBTUPRBBDJ-LHLOQNFPSA&quot;, &quot;mols2grid-id&quot;: 486, &quot;data-Ligand_InChI_Key&quot;: &quot;JKUWJBTUPRBBDJ-LHLOQNFPSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 486, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51002894&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC[NH+](CC)CCO\\\\N=C1\\\\C(=Nc2ccccc12)c1c(O)n(C)c2c(Br)cccc12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JKUWJBTUPRBBDJ-LHLOQNFPSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JKUWJBTUPRBBDJ-LHLOQNFPSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCN(CC)CCO\\\\N=C1\\\\C(=Nc2ccccc12)c1c(O)n(C)c2c(Br)cccc12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51002874, &quot;data-inchi_base&quot;: &quot;JKUWJBTUPRBBDJ-LHLOQNFPSA&quot;, &quot;mols2grid-id&quot;: 487, &quot;data-Ligand_InChI_Key&quot;: &quot;JKUWJBTUPRBBDJ-LHLOQNFPSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 487, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51002874&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCN(CC)CCO\\\\N=C1\\\\C(=Nc2ccccc12)c1c(O)n(C)c2c(Br)cccc12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JKUWJBTUPRBBDJ-LHLOQNFPSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JKUWJBTUPRBBDJ-LHLOQNFPSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Oc1c(O)c2C(=O)c3ccccc3C(=O)c2cc1S(O)(=O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51123580, &quot;data-inchi_base&quot;: &quot;JKYKXTRKURYNGW-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 488, &quot;data-Ligand_InChI_Key&quot;: &quot;JKYKXTRKURYNGW-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 488, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51123580&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Oc1c(O)c2C(=O)c3ccccc3C(=O)c2cc1S(O)(=O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JKYKXTRKURYNGW-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JKYKXTRKURYNGW-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Oc1c(O)c2C(=O)c3ccccc3C(=O)c2cc1S([O-])(=O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50742416, &quot;data-inchi_base&quot;: &quot;JKYKXTRKURYNGW-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 489, &quot;data-Ligand_InChI_Key&quot;: &quot;JKYKXTRKURYNGW-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 489, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50742416&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Oc1c(O)c2C(=O)c3ccccc3C(=O)c2cc1S([O-])(=O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JKYKXTRKURYNGW-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JKYKXTRKURYNGW-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(Sc1ccc2ccccc2n1)C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 79603, &quot;data-inchi_base&quot;: &quot;JLYPYACZXPBHLU-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 490, &quot;data-Ligand_InChI_Key&quot;: &quot;JLYPYACZXPBHLU-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 490, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;79603&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(Sc1ccc2ccccc2n1)C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JLYPYACZXPBHLU-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JLYPYACZXPBHLU-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(Sc1ccc2ccccc2n1)C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 237043, &quot;data-inchi_base&quot;: &quot;JLYPYACZXPBHLU-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 491, &quot;data-Ligand_InChI_Key&quot;: &quot;JLYPYACZXPBHLU-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 491, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;237043&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(Sc1ccc2ccccc2n1)C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JLYPYACZXPBHLU-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JLYPYACZXPBHLU-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1ccc(cc1O)-c1c2c(n3ccc4cc(OC)c(OC)cc4c13)c(=O)oc1cc(OS(O)(=O)=O)c(OC)cc21&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51167162, &quot;data-inchi_base&quot;: &quot;JMOHRMCZYHDLSW-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 492, &quot;data-Ligand_InChI_Key&quot;: &quot;JMOHRMCZYHDLSW-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 492, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51167162&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1ccc(cc1O)-c1c2c(n3ccc4cc(OC)c(OC)cc4c13)c(=O)oc1cc(OS(O)(=O)=O)c(OC)cc21&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JMOHRMCZYHDLSW-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JMOHRMCZYHDLSW-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1ccc(cc1O)-c1c2c(n3ccc4cc(OC)c(OC)cc4c13)c(=O)oc1cc(OS([O-])(=O)=O)c(OC)cc21&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50056725, &quot;data-inchi_base&quot;: &quot;JMOHRMCZYHDLSW-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 493, &quot;data-Ligand_InChI_Key&quot;: &quot;JMOHRMCZYHDLSW-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 493, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50056725&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1ccc(cc1O)-c1c2c(n3ccc4cc(OC)c(OC)cc4c13)c(=O)oc1cc(OS([O-])(=O)=O)c(OC)cc21&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JMOHRMCZYHDLSW-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JMOHRMCZYHDLSW-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[NH3+]CCc1ccc(Oc2ccccc2)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50845888, &quot;data-inchi_base&quot;: &quot;JNHPLGDXCJAUBX-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 494, &quot;data-Ligand_InChI_Key&quot;: &quot;JNHPLGDXCJAUBX-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 494, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50845888&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[NH3+]CCc1ccc(Oc2ccccc2)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JNHPLGDXCJAUBX-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JNHPLGDXCJAUBX-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;NCCc1ccc(Oc2ccccc2)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50336752, &quot;data-inchi_base&quot;: &quot;JNHPLGDXCJAUBX-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 495, &quot;data-Ligand_InChI_Key&quot;: &quot;JNHPLGDXCJAUBX-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 495, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50336752&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NCCc1ccc(Oc2ccccc2)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JNHPLGDXCJAUBX-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JNHPLGDXCJAUBX-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1cc(F)ccc1O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 25974, &quot;data-inchi_base&quot;: &quot;JOGOACSSLJEREC-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 496, &quot;data-Ligand_InChI_Key&quot;: &quot;JOGOACSSLJEREC-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 496, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;25974&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1cc(F)ccc1O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JOGOACSSLJEREC-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JOGOACSSLJEREC-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;NC(=N)c1ccc2nc([nH]c2c1)-c1cc(F)ccc1O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50186390, &quot;data-inchi_base&quot;: &quot;JOGOACSSLJEREC-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 497, &quot;data-Ligand_InChI_Key&quot;: &quot;JOGOACSSLJEREC-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 497, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50186390&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NC(=N)c1ccc2nc([nH]c2c1)-c1cc(F)ccc1O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JOGOACSSLJEREC-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JOGOACSSLJEREC-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;NC(=[NH2+])c1ccc2[nH]c(cc2c1)-c1ccccc1[O-]&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 25948, &quot;data-inchi_base&quot;: &quot;JPGNPKIYCTXJPG-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 498, &quot;data-Ligand_InChI_Key&quot;: &quot;JPGNPKIYCTXJPG-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 498, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;25948&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NC(=[NH2+])c1ccc2[nH]c(cc2c1)-c1ccccc1[O-]&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JPGNPKIYCTXJPG-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JPGNPKIYCTXJPG-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;NC(=[NH2+])c1ccc2[nH]c(cc2c1)-c1ccccc1O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 25073, &quot;data-inchi_base&quot;: &quot;JPGNPKIYCTXJPG-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 499, &quot;data-Ligand_InChI_Key&quot;: &quot;JPGNPKIYCTXJPG-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 499, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;25073&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NC(=[NH2+])c1ccc2[nH]c(cc2c1)-c1ccccc1O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JPGNPKIYCTXJPG-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JPGNPKIYCTXJPG-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Nc4cccc(c4)S(O)(=O)=O)n3)c(c2)S(O)(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S(O)(=O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50501015, &quot;data-inchi_base&quot;: &quot;JQYMGXZJTCOARG-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 500, &quot;data-Ligand_InChI_Key&quot;: &quot;JQYMGXZJTCOARG-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 500, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50501015&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Nc4cccc(c4)S(O)(=O)=O)n3)c(c2)S(O)(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S(O)(=O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JQYMGXZJTCOARG-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JQYMGXZJTCOARG-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Nc4cccc(c4)S([O-])(=O)=O)n3)c(c2)S([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 173659, &quot;data-inchi_base&quot;: &quot;JQYMGXZJTCOARG-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 501, &quot;data-Ligand_InChI_Key&quot;: &quot;JQYMGXZJTCOARG-UHFFFAOYSA-K&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 501, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;173659&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Nc4cccc(c4)S([O-])(=O)=O)n3)c(c2)S([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JQYMGXZJTCOARG-UHFFFAOYSA-K&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JQYMGXZJTCOARG-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCCCCCCCCCCCN&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50270976, &quot;data-inchi_base&quot;: &quot;JRBPAEWTRLWTQC-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 502, &quot;data-Ligand_InChI_Key&quot;: &quot;JRBPAEWTRLWTQC-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 502, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50270976&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCCCCCCCCCCN&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JRBPAEWTRLWTQC-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JRBPAEWTRLWTQC-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCCCCCCCCCCC[NH3+]&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50270991, &quot;data-inchi_base&quot;: &quot;JRBPAEWTRLWTQC-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 503, &quot;data-Ligand_InChI_Key&quot;: &quot;JRBPAEWTRLWTQC-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 503, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50270991&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCCCCCCCCCC[NH3+]&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JRBPAEWTRLWTQC-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JRBPAEWTRLWTQC-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[O-]S(=O)(=O)OOS([O-])(=O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 420175, &quot;data-inchi_base&quot;: &quot;JRKICGRDRMAZLK-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 504, &quot;data-Ligand_InChI_Key&quot;: &quot;JRKICGRDRMAZLK-UHFFFAOYSA-L&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 504, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;420175&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[O-]S(=O)(=O)OOS([O-])(=O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JRKICGRDRMAZLK-UHFFFAOYSA-L&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JRKICGRDRMAZLK-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OS(=O)(=O)OOS(O)(=O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50468310, &quot;data-inchi_base&quot;: &quot;JRKICGRDRMAZLK-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 505, &quot;data-Ligand_InChI_Key&quot;: &quot;JRKICGRDRMAZLK-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 505, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50468310&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OS(=O)(=O)OOS(O)(=O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JRKICGRDRMAZLK-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JRKICGRDRMAZLK-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[Na+].[O-]C(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1CCC(=O)Nc1ccccc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51150602, &quot;data-inchi_base&quot;: &quot;JSVKMSWJZVKEGB-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 506, &quot;data-Ligand_InChI_Key&quot;: &quot;JSVKMSWJZVKEGB-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 506, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51150602&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[Na+].[O-]C(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1CCC(=O)Nc1ccccc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JSVKMSWJZVKEGB-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JSVKMSWJZVKEGB-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1CCC(=O)Nc1ccccc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50463412, &quot;data-inchi_base&quot;: &quot;JSVKMSWJZVKEGB-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 507, &quot;data-Ligand_InChI_Key&quot;: &quot;JSVKMSWJZVKEGB-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 507, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50463412&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1CCC(=O)Nc1ccccc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JSVKMSWJZVKEGB-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JSVKMSWJZVKEGB-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[O-]C(=O)CCCc1c[nH]c2ccccc12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 201102, &quot;data-inchi_base&quot;: &quot;JTEDVYBZBROSJT-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 508, &quot;data-Ligand_InChI_Key&quot;: &quot;JTEDVYBZBROSJT-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 508, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;201102&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[O-]C(=O)CCCc1c[nH]c2ccccc12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JTEDVYBZBROSJT-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JTEDVYBZBROSJT-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)CCCc1c[nH]c2ccccc12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50431992, &quot;data-inchi_base&quot;: &quot;JTEDVYBZBROSJT-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 509, &quot;data-Ligand_InChI_Key&quot;: &quot;JTEDVYBZBROSJT-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 509, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50431992&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)CCCc1c[nH]c2ccccc12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JTEDVYBZBROSJT-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JTEDVYBZBROSJT-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;NCc1cccc(c1F)-c1cc(CNc2ccccc2CC(O)=O)cc2ccoc12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 1180620, &quot;data-inchi_base&quot;: &quot;JUBBCGUIMHIFFK-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 510, &quot;data-Ligand_InChI_Key&quot;: &quot;JUBBCGUIMHIFFK-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 510, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;1180620&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NCc1cccc(c1F)-c1cc(CNc2ccccc2CC(O)=O)cc2ccoc12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JUBBCGUIMHIFFK-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JUBBCGUIMHIFFK-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;NCc1cccc(c1F)-c1cc(CNc2ccccc2CC([O-])=O)cc2ccoc12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 1298118, &quot;data-inchi_base&quot;: &quot;JUBBCGUIMHIFFK-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 511, &quot;data-Ligand_InChI_Key&quot;: &quot;JUBBCGUIMHIFFK-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 511, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;1298118&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NCc1cccc(c1F)-c1cc(CNc2ccccc2CC([O-])=O)cc2ccoc12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JUBBCGUIMHIFFK-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JUBBCGUIMHIFFK-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COC(=O)[C@@H]([C@H]1CCCC[NH2+]1)c1ccc(Cl)c(Cl)c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50069124, &quot;data-inchi_base&quot;: &quot;JUKMAYKVHWKRKY-CHWSQXEVSA&quot;, &quot;mols2grid-id&quot;: 512, &quot;data-Ligand_InChI_Key&quot;: &quot;JUKMAYKVHWKRKY-CHWSQXEVSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 512, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50069124&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COC(=O)[C@@H]([C@H]1CCCC[NH2+]1)c1ccc(Cl)c(Cl)c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JUKMAYKVHWKRKY-CHWSQXEVSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JUKMAYKVHWKRKY-CHWSQXEVSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COC(=O)[C@@H]([C@H]1CCCCN1)c1ccc(Cl)c(Cl)c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50262480, &quot;data-inchi_base&quot;: &quot;JUKMAYKVHWKRKY-CHWSQXEVSA&quot;, &quot;mols2grid-id&quot;: 513, &quot;data-Ligand_InChI_Key&quot;: &quot;JUKMAYKVHWKRKY-CHWSQXEVSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 513, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50262480&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COC(=O)[C@@H]([C@H]1CCCCN1)c1ccc(Cl)c(Cl)c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JUKMAYKVHWKRKY-CHWSQXEVSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JUKMAYKVHWKRKY-CHWSQXEVSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2\\\\C1=N/OCC[NH+]1CCOCC1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51002893, &quot;data-inchi_base&quot;: &quot;JVABVKOLMLLNEF-LHLOQNFPSA&quot;, &quot;mols2grid-id&quot;: 514, &quot;data-Ligand_InChI_Key&quot;: &quot;JVABVKOLMLLNEF-LHLOQNFPSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 514, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51002893&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2\\\\C1=N/OCC[NH+]1CCOCC1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JVABVKOLMLLNEF-LHLOQNFPSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JVABVKOLMLLNEF-LHLOQNFPSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2\\\\C1=N/OCCN1CCOCC1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51002922, &quot;data-inchi_base&quot;: &quot;JVABVKOLMLLNEF-LHLOQNFPSA&quot;, &quot;mols2grid-id&quot;: 515, &quot;data-Ligand_InChI_Key&quot;: &quot;JVABVKOLMLLNEF-LHLOQNFPSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 515, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51002922&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2\\\\C1=N/OCCN1CCOCC1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JVABVKOLMLLNEF-LHLOQNFPSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JVABVKOLMLLNEF-LHLOQNFPSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Nc1nc(nc2nc(nn12)-c1ccco1)N1CC[NH2+]CC1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50708601, &quot;data-inchi_base&quot;: &quot;JVGXNLGFJFMKDV-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 516, &quot;data-Ligand_InChI_Key&quot;: &quot;JVGXNLGFJFMKDV-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 516, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50708601&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Nc1nc(nc2nc(nn12)-c1ccco1)N1CC[NH2+]CC1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JVGXNLGFJFMKDV-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JVGXNLGFJFMKDV-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Nc1nc(nc2nc(nn12)-c1ccco1)N1CCNCC1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50277789, &quot;data-inchi_base&quot;: &quot;JVGXNLGFJFMKDV-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 517, &quot;data-Ligand_InChI_Key&quot;: &quot;JVGXNLGFJFMKDV-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 517, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50277789&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Nc1nc(nc2nc(nn12)-c1ccco1)N1CCNCC1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JVGXNLGFJFMKDV-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JVGXNLGFJFMKDV-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;NC(=N)Nc1ccc(OC(=O)c2ccc(NC(N)=N)cc2)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51255211, &quot;data-inchi_base&quot;: &quot;JXJBQAMLLCEHTI-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 518, &quot;data-Ligand_InChI_Key&quot;: &quot;JXJBQAMLLCEHTI-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 518, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51255211&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NC(=N)Nc1ccc(OC(=O)c2ccc(NC(N)=N)cc2)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JXJBQAMLLCEHTI-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JXJBQAMLLCEHTI-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;NC(=[NH2+])Nc1ccc(OC(=O)c2ccc(NC(N)=[NH2+])cc2)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50243425, &quot;data-inchi_base&quot;: &quot;JXJBQAMLLCEHTI-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 519, &quot;data-Ligand_InChI_Key&quot;: &quot;JXJBQAMLLCEHTI-UHFFFAOYSA-P&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 519, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50243425&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NC(=[NH2+])Nc1ccc(OC(=O)c2ccc(NC(N)=[NH2+])cc2)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JXJBQAMLLCEHTI-UHFFFAOYSA-P&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;JXJBQAMLLCEHTI-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)OCCCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)[C@@H](O)[C@H]1O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50258493, &quot;data-inchi_base&quot;: &quot;KBOGUFFJCBPJEH-SQGSUPJISA&quot;, &quot;mols2grid-id&quot;: 520, &quot;data-Ligand_InChI_Key&quot;: &quot;KBOGUFFJCBPJEH-SQGSUPJISA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 520, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50258493&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)OCCCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)[C@@H](O)[C@H]1O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KBOGUFFJCBPJEH-SQGSUPJISA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KBOGUFFJCBPJEH-SQGSUPJISA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OCCCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)[C@@H](O)[C@H]1O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 304764, &quot;data-inchi_base&quot;: &quot;KBOGUFFJCBPJEH-SQGSUPJISA&quot;, &quot;mols2grid-id&quot;: 521, &quot;data-Ligand_InChI_Key&quot;: &quot;KBOGUFFJCBPJEH-SQGSUPJISA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 521, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;304764&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OCCCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)[C@@H](O)[C@H]1O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KBOGUFFJCBPJEH-SQGSUPJISA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KBOGUFFJCBPJEH-SQGSUPJISA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Cc1cc(Nc2ncc(-c3nc4ccncc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)[nH+]2)ccn1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 580222, &quot;data-inchi_base&quot;: &quot;KDAMRHXKXPPGQB-WTMJQUOKSA&quot;, &quot;mols2grid-id&quot;: 522, &quot;data-Ligand_InChI_Key&quot;: &quot;KDAMRHXKXPPGQB-WTMJQUOKSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 522, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;580222&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cc1cc(Nc2ncc(-c3nc4ccncc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)[nH+]2)ccn1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KDAMRHXKXPPGQB-WTMJQUOKSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KDAMRHXKXPPGQB-WTMJQUOKSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Cc1cc(Nc2ncc(-c3nc4ccncc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)ccn1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50386050, &quot;data-inchi_base&quot;: &quot;KDAMRHXKXPPGQB-WTMJQUOKSA&quot;, &quot;mols2grid-id&quot;: 523, &quot;data-Ligand_InChI_Key&quot;: &quot;KDAMRHXKXPPGQB-WTMJQUOKSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 523, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50386050&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cc1cc(Nc2ncc(-c3nc4ccncc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)ccn1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KDAMRHXKXPPGQB-WTMJQUOKSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KDAMRHXKXPPGQB-WTMJQUOKSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;N[C@@H](CCCC[NH3+])C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50923542, &quot;data-inchi_base&quot;: &quot;KDXKERNSBIXSRK-YFKPBYRVSA&quot;, &quot;mols2grid-id&quot;: 524, &quot;data-Ligand_InChI_Key&quot;: &quot;KDXKERNSBIXSRK-YFKPBYRVSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 524, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50923542&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;N[C@@H](CCCC[NH3+])C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KDXKERNSBIXSRK-YFKPBYRVSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KDXKERNSBIXSRK-YFKPBYRVSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;NCCCC[C@H](N)C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 380913, &quot;data-inchi_base&quot;: &quot;KDXKERNSBIXSRK-YFKPBYRVSA&quot;, &quot;mols2grid-id&quot;: 525, &quot;data-Ligand_InChI_Key&quot;: &quot;KDXKERNSBIXSRK-YFKPBYRVSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 525, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;380913&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NCCCC[C@H](N)C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KDXKERNSBIXSRK-YFKPBYRVSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KDXKERNSBIXSRK-YFKPBYRVSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCOc1ccc([NH2+]Cc2cc(OC)c(OC)c(OC)c2)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50073254, &quot;data-inchi_base&quot;: &quot;KEWFCLDAAYJNMJ-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 526, &quot;data-Ligand_InChI_Key&quot;: &quot;KEWFCLDAAYJNMJ-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 526, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50073254&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCOc1ccc([NH2+]Cc2cc(OC)c(OC)c(OC)c2)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KEWFCLDAAYJNMJ-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KEWFCLDAAYJNMJ-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCOc1ccc(NCc2cc(OC)c(OC)c(OC)c2)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50073253, &quot;data-inchi_base&quot;: &quot;KEWFCLDAAYJNMJ-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 527, &quot;data-Ligand_InChI_Key&quot;: &quot;KEWFCLDAAYJNMJ-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 527, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50073253&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCOc1ccc(NCc2cc(OC)c(OC)c(OC)c2)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KEWFCLDAAYJNMJ-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KEWFCLDAAYJNMJ-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC#C[C@H](CC([O-])=O)c1ccc(OCc2cccc(c2)C2=CCC3(CC2)OCCO3)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 786745, &quot;data-inchi_base&quot;: &quot;KHJJIVNIIQXOQW-HSZRJFAPSA&quot;, &quot;mols2grid-id&quot;: 528, &quot;data-Ligand_InChI_Key&quot;: &quot;KHJJIVNIIQXOQW-HSZRJFAPSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 528, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;786745&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC#C[C@H](CC([O-])=O)c1ccc(OCc2cccc(c2)C2=CCC3(CC2)OCCO3)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KHJJIVNIIQXOQW-HSZRJFAPSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KHJJIVNIIQXOQW-HSZRJFAPSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC#C[C@H](CC(O)=O)c1ccc(OCc2cccc(c2)C2=CCC3(CC2)OCCO3)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 786743, &quot;data-inchi_base&quot;: &quot;KHJJIVNIIQXOQW-HSZRJFAPSA&quot;, &quot;mols2grid-id&quot;: 529, &quot;data-Ligand_InChI_Key&quot;: &quot;KHJJIVNIIQXOQW-HSZRJFAPSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 529, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;786743&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC#C[C@H](CC(O)=O)c1ccc(OCc2cccc(c2)C2=CCC3(CC2)OCCO3)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KHJJIVNIIQXOQW-HSZRJFAPSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KHJJIVNIIQXOQW-HSZRJFAPSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC#C[C@@H](CC([O-])=O)c1ccc(OCc2cccc(c2)C2=CCC3(CC2)OCCO3)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 786744, &quot;data-inchi_base&quot;: &quot;KHJJIVNIIQXOQW-QHCPKHFHSA&quot;, &quot;mols2grid-id&quot;: 530, &quot;data-Ligand_InChI_Key&quot;: &quot;KHJJIVNIIQXOQW-QHCPKHFHSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 530, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;786744&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC#C[C@@H](CC([O-])=O)c1ccc(OCc2cccc(c2)C2=CCC3(CC2)OCCO3)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KHJJIVNIIQXOQW-QHCPKHFHSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KHJJIVNIIQXOQW-QHCPKHFHSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC#C[C@@H](CC(O)=O)c1ccc(OCc2cccc(c2)C2=CCC3(CC2)OCCO3)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 786742, &quot;data-inchi_base&quot;: &quot;KHJJIVNIIQXOQW-QHCPKHFHSA&quot;, &quot;mols2grid-id&quot;: 531, &quot;data-Ligand_InChI_Key&quot;: &quot;KHJJIVNIIQXOQW-QHCPKHFHSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 531, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;786742&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC#C[C@@H](CC(O)=O)c1ccc(OCc2cccc(c2)C2=CCC3(CC2)OCCO3)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KHJJIVNIIQXOQW-QHCPKHFHSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KHJJIVNIIQXOQW-QHCPKHFHSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC#CC(CC(O)=O)c1ccc(OCc2cccc(c2)C2=CCC3(CC2)OCCO3)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 786736, &quot;data-inchi_base&quot;: &quot;KHJJIVNIIQXOQW-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 532, &quot;data-Ligand_InChI_Key&quot;: &quot;KHJJIVNIIQXOQW-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 532, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;786736&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC#CC(CC(O)=O)c1ccc(OCc2cccc(c2)C2=CCC3(CC2)OCCO3)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KHJJIVNIIQXOQW-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KHJJIVNIIQXOQW-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC#CC(CC([O-])=O)c1ccc(OCc2cccc(c2)C2=CCC3(CC2)OCCO3)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 786737, &quot;data-inchi_base&quot;: &quot;KHJJIVNIIQXOQW-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 533, &quot;data-Ligand_InChI_Key&quot;: &quot;KHJJIVNIIQXOQW-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 533, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;786737&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC#CC(CC([O-])=O)c1ccc(OCc2cccc(c2)C2=CCC3(CC2)OCCO3)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KHJJIVNIIQXOQW-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KHJJIVNIIQXOQW-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)Cc1ccccc1Nc1c(F)cccc1F&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50510727, &quot;data-inchi_base&quot;: &quot;KHNKXTYWNSVJPN-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 534, &quot;data-Ligand_InChI_Key&quot;: &quot;KHNKXTYWNSVJPN-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 534, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50510727&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)Cc1ccccc1Nc1c(F)cccc1F&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KHNKXTYWNSVJPN-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KHNKXTYWNSVJPN-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[Na+].[O-]C(=O)Cc1ccccc1Nc1c(F)cccc1F&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50640793, &quot;data-inchi_base&quot;: &quot;KHNKXTYWNSVJPN-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 535, &quot;data-Ligand_InChI_Key&quot;: &quot;KHNKXTYWNSVJPN-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 535, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50640793&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[Na+].[O-]C(=O)Cc1ccccc1Nc1c(F)cccc1F&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KHNKXTYWNSVJPN-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KHNKXTYWNSVJPN-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Cn1cc2c(n1)nc(NC(=O)Nc1cc[nH+]cc1)n1nc(nc21)-c1ccco1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50211605, &quot;data-inchi_base&quot;: &quot;KHRCLUNNZRRZTF-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 536, &quot;data-Ligand_InChI_Key&quot;: &quot;KHRCLUNNZRRZTF-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 536, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50211605&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cn1cc2c(n1)nc(NC(=O)Nc1cc[nH+]cc1)n1nc(nc21)-c1ccco1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KHRCLUNNZRRZTF-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KHRCLUNNZRRZTF-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Cn1cc2c(n1)nc(NC(=O)Nc1ccncc1)n1nc(nc21)-c1ccco1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50211608, &quot;data-inchi_base&quot;: &quot;KHRCLUNNZRRZTF-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 537, &quot;data-Ligand_InChI_Key&quot;: &quot;KHRCLUNNZRRZTF-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 537, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50211608&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cn1cc2c(n1)nc(NC(=O)Nc1ccncc1)n1nc(nc21)-c1ccco1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KHRCLUNNZRRZTF-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KHRCLUNNZRRZTF-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC[C@H]1C[C@@H](Nc2nc(Nc3ccncc3)ncc2-c2nccs2)[C@H](O)[C@@H]1O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50386048, &quot;data-inchi_base&quot;: &quot;KJJQPXFQMUMBIH-QZKOUSHUSA&quot;, &quot;mols2grid-id&quot;: 538, &quot;data-Ligand_InChI_Key&quot;: &quot;KJJQPXFQMUMBIH-QZKOUSHUSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 538, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50386048&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC[C@H]1C[C@@H](Nc2nc(Nc3ccncc3)ncc2-c2nccs2)[C@H](O)[C@@H]1O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KJJQPXFQMUMBIH-QZKOUSHUSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KJJQPXFQMUMBIH-QZKOUSHUSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC[C@H]1C[C@@H](Nc2[nH+]c(Nc3ccncc3)ncc2-c2nccs2)[C@H](O)[C@@H]1O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 580210, &quot;data-inchi_base&quot;: &quot;KJJQPXFQMUMBIH-QZKOUSHUSA&quot;, &quot;mols2grid-id&quot;: 539, &quot;data-Ligand_InChI_Key&quot;: &quot;KJJQPXFQMUMBIH-QZKOUSHUSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 539, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;580210&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC[C@H]1C[C@@H](Nc2[nH+]c(Nc3ccncc3)ncc2-c2nccs2)[C@H](O)[C@@H]1O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KJJQPXFQMUMBIH-QZKOUSHUSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KJJQPXFQMUMBIH-QZKOUSHUSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCNC(=O)c1noc(c1-c1ccc(C[NH+]2CCOCC2)cc1)-c1cc(CCc2ccc(F)cc2)c(O)cc1O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 506715, &quot;data-inchi_base&quot;: &quot;KJSBEFKXARDWBJ-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 540, &quot;data-Ligand_InChI_Key&quot;: &quot;KJSBEFKXARDWBJ-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 540, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;506715&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCNC(=O)c1noc(c1-c1ccc(C[NH+]2CCOCC2)cc1)-c1cc(CCc2ccc(F)cc2)c(O)cc1O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KJSBEFKXARDWBJ-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KJSBEFKXARDWBJ-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(CCc2ccc(F)cc2)c(O)cc1O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 37694, &quot;data-inchi_base&quot;: &quot;KJSBEFKXARDWBJ-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 541, &quot;data-Ligand_InChI_Key&quot;: &quot;KJSBEFKXARDWBJ-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 541, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;37694&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(CCc2ccc(F)cc2)c(O)cc1O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KJSBEFKXARDWBJ-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KJSBEFKXARDWBJ-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)CC[C@H](NP(O)(O)=O)C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50400727, &quot;data-inchi_base&quot;: &quot;KKGSCLRYTMKKLP-VKHMYHEASA&quot;, &quot;mols2grid-id&quot;: 542, &quot;data-Ligand_InChI_Key&quot;: &quot;KKGSCLRYTMKKLP-VKHMYHEASA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 542, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50400727&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)CC[C@H](NP(O)(O)=O)C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KKGSCLRYTMKKLP-VKHMYHEASA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KKGSCLRYTMKKLP-VKHMYHEASA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[O-]C(=O)CC[C@H](NP([O-])([O-])=O)C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50400725, &quot;data-inchi_base&quot;: &quot;KKGSCLRYTMKKLP-VKHMYHEASA&quot;, &quot;mols2grid-id&quot;: 543, &quot;data-Ligand_InChI_Key&quot;: &quot;KKGSCLRYTMKKLP-VKHMYHEASA-J&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 543, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50400725&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[O-]C(=O)CC[C@H](NP([O-])([O-])=O)C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KKGSCLRYTMKKLP-VKHMYHEASA-J&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KKGSCLRYTMKKLP-VKHMYHEASA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCCC[P+](CCCC)(CCCC)Cc1ccc(NC(=O)[C@H](Cc2ccccc2)N\\\\C(NC(C)C)=[NH+]\\\\C(C)C)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50764993, &quot;data-inchi_base&quot;: &quot;KMGXSDVMRSQWJA-XIFFEERXSA&quot;, &quot;mols2grid-id&quot;: 544, &quot;data-Ligand_InChI_Key&quot;: &quot;KMGXSDVMRSQWJA-XIFFEERXSA-P&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 544, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50764993&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCC[P+](CCCC)(CCCC)Cc1ccc(NC(=O)[C@H](Cc2ccccc2)N\\\\C(NC(C)C)=[NH+]\\\\C(C)C)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KMGXSDVMRSQWJA-XIFFEERXSA-P&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KMGXSDVMRSQWJA-XIFFEERXSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCCC[P+](CCCC)(CCCC)Cc1ccc(NC(=O)[C@H](Cc2ccccc2)N=C(NC(C)C)NC(C)C)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50725005, &quot;data-inchi_base&quot;: &quot;KMGXSDVMRSQWJA-XIFFEERXSA&quot;, &quot;mols2grid-id&quot;: 545, &quot;data-Ligand_InChI_Key&quot;: &quot;KMGXSDVMRSQWJA-XIFFEERXSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 545, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50725005&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCC[P+](CCCC)(CCCC)Cc1ccc(NC(=O)[C@H](Cc2ccccc2)N=C(NC(C)C)NC(C)C)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KMGXSDVMRSQWJA-XIFFEERXSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KMGXSDVMRSQWJA-XIFFEERXSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCOC(=O)[N-]S(=O)(=O)Oc1c(cccc1C(C)C)C(C)C&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50779924, &quot;data-inchi_base&quot;: &quot;KMVORWYAUZSUNL-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 546, &quot;data-Ligand_InChI_Key&quot;: &quot;KMVORWYAUZSUNL-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 546, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50779924&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCOC(=O)[N-]S(=O)(=O)Oc1c(cccc1C(C)C)C(C)C&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KMVORWYAUZSUNL-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KMVORWYAUZSUNL-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCOC(=O)NS(=O)(=O)Oc1c(cccc1C(C)C)C(C)C&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50779839, &quot;data-inchi_base&quot;: &quot;KMVORWYAUZSUNL-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 547, &quot;data-Ligand_InChI_Key&quot;: &quot;KMVORWYAUZSUNL-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 547, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50779839&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCOC(=O)NS(=O)(=O)Oc1c(cccc1C(C)C)C(C)C&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KMVORWYAUZSUNL-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KMVORWYAUZSUNL-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)CCc1c([nH]c2cc(Cl)cc(Cl)c12)C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50059652, &quot;data-inchi_base&quot;: &quot;KNBSYZNKEAWABY-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 548, &quot;data-Ligand_InChI_Key&quot;: &quot;KNBSYZNKEAWABY-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 548, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50059652&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)CCc1c([nH]c2cc(Cl)cc(Cl)c12)C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KNBSYZNKEAWABY-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KNBSYZNKEAWABY-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[Na+].OC(=O)CCc1c([nH]c2cc(Cl)cc(Cl)c12)C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51150604, &quot;data-inchi_base&quot;: &quot;KNBSYZNKEAWABY-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 549, &quot;data-Ligand_InChI_Key&quot;: &quot;KNBSYZNKEAWABY-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 549, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51150604&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[Na+].OC(=O)CCc1c([nH]c2cc(Cl)cc(Cl)c12)C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KNBSYZNKEAWABY-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KNBSYZNKEAWABY-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Nc1ncc(-c2nccs2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)[nH+]1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 580209, &quot;data-inchi_base&quot;: &quot;KNSJWBXVVFXHFA-QQRDMOCMSA&quot;, &quot;mols2grid-id&quot;: 550, &quot;data-Ligand_InChI_Key&quot;: &quot;KNSJWBXVVFXHFA-QQRDMOCMSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 550, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;580209&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Nc1ncc(-c2nccs2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)[nH+]1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KNSJWBXVVFXHFA-QQRDMOCMSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KNSJWBXVVFXHFA-QQRDMOCMSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Nc1ncc(-c2nccs2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50306179, &quot;data-inchi_base&quot;: &quot;KNSJWBXVVFXHFA-QQRDMOCMSA&quot;, &quot;mols2grid-id&quot;: 551, &quot;data-Ligand_InChI_Key&quot;: &quot;KNSJWBXVVFXHFA-QQRDMOCMSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 551, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50306179&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Nc1ncc(-c2nccs2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KNSJWBXVVFXHFA-QQRDMOCMSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KNSJWBXVVFXHFA-QQRDMOCMSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)c1cc(F)c(cc1O)N(Cc1ccc(cc1)C1CCOCC1)C(=O)[C@H]1CCN1S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 1160581, &quot;data-inchi_base&quot;: &quot;KOKRGBJLKIGARP-LJQANCHMSA&quot;, &quot;mols2grid-id&quot;: 552, &quot;data-Ligand_InChI_Key&quot;: &quot;KOKRGBJLKIGARP-LJQANCHMSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 552, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;1160581&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)c1cc(F)c(cc1O)N(Cc1ccc(cc1)C1CCOCC1)C(=O)[C@H]1CCN1S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KOKRGBJLKIGARP-LJQANCHMSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KOKRGBJLKIGARP-LJQANCHMSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Oc1cc(N(Cc2ccc(cc2)C2CCOCC2)C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c(F)cc1C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 1160609, &quot;data-inchi_base&quot;: &quot;KOKRGBJLKIGARP-LJQANCHMSA&quot;, &quot;mols2grid-id&quot;: 553, &quot;data-Ligand_InChI_Key&quot;: &quot;KOKRGBJLKIGARP-LJQANCHMSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 553, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;1160609&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Oc1cc(N(Cc2ccc(cc2)C2CCOCC2)C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c(F)cc1C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KOKRGBJLKIGARP-LJQANCHMSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KOKRGBJLKIGARP-LJQANCHMSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[Zn++].NS(=O)(=O)c1ccc(NC(=O)CN(CCN(CCN(CC([O-])=O)CC(=O)Nc2ccc(cc2)S(N)(=O)=O)CC([O-])=O)CC(O)=O)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50112915, &quot;data-inchi_base&quot;: &quot;KPZSOSRRNOIKIF-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 554, &quot;data-Ligand_InChI_Key&quot;: &quot;KPZSOSRRNOIKIF-UHFFFAOYSA-L&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 554, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50112915&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[Zn++].NS(=O)(=O)c1ccc(NC(=O)CN(CCN(CCN(CC([O-])=O)CC(=O)Nc2ccc(cc2)S(N)(=O)=O)CC([O-])=O)CC(O)=O)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KPZSOSRRNOIKIF-UHFFFAOYSA-L&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KPZSOSRRNOIKIF-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;NS(=O)(=O)c1ccc(NC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)Nc2ccc(cc2)S(N)(=O)=O)CC(O)=O)CC(O)=O)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50734603, &quot;data-inchi_base&quot;: &quot;KPZSOSRRNOIKIF-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 555, &quot;data-Ligand_InChI_Key&quot;: &quot;KPZSOSRRNOIKIF-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 555, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50734603&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NS(=O)(=O)c1ccc(NC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)Nc2ccc(cc2)S(N)(=O)=O)CC(O)=O)CC(O)=O)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KPZSOSRRNOIKIF-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KPZSOSRRNOIKIF-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)CC(O)(CC(O)=O)C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 26788, &quot;data-inchi_base&quot;: &quot;KRKNYBCHXYNGOX-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 556, &quot;data-Ligand_InChI_Key&quot;: &quot;KRKNYBCHXYNGOX-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 556, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;26788&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)CC(O)(CC(O)=O)C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KRKNYBCHXYNGOX-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KRKNYBCHXYNGOX-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(CC([O-])=O)(CC([O-])=O)C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 200635, &quot;data-inchi_base&quot;: &quot;KRKNYBCHXYNGOX-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 557, &quot;data-Ligand_InChI_Key&quot;: &quot;KRKNYBCHXYNGOX-UHFFFAOYSA-K&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 557, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;200635&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(CC([O-])=O)(CC([O-])=O)C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KRKNYBCHXYNGOX-UHFFFAOYSA-K&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KRKNYBCHXYNGOX-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[N+](C)(C)NC(=O)CCC([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51247134, &quot;data-inchi_base&quot;: &quot;KROAGZBLPYISKS-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 558, &quot;data-Ligand_InChI_Key&quot;: &quot;KROAGZBLPYISKS-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 558, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51247134&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[N+](C)(C)NC(=O)CCC([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KROAGZBLPYISKS-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KROAGZBLPYISKS-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[N+](C)(C)NC(=O)CCC(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50963293, &quot;data-inchi_base&quot;: &quot;KROAGZBLPYISKS-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 559, &quot;data-Ligand_InChI_Key&quot;: &quot;KROAGZBLPYISKS-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 559, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50963293&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[N+](C)(C)NC(=O)CCC(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KROAGZBLPYISKS-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KROAGZBLPYISKS-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(C)CNC(=O)C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 408750, &quot;data-inchi_base&quot;: &quot;KTICXCJIBMTSRP-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 560, &quot;data-Ligand_InChI_Key&quot;: &quot;KTICXCJIBMTSRP-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 560, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;408750&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(C)CNC(=O)C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KTICXCJIBMTSRP-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KTICXCJIBMTSRP-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(C)CNC(=O)C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 202255, &quot;data-inchi_base&quot;: &quot;KTICXCJIBMTSRP-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 561, &quot;data-Ligand_InChI_Key&quot;: &quot;KTICXCJIBMTSRP-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 561, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;202255&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(C)CNC(=O)C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KTICXCJIBMTSRP-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KTICXCJIBMTSRP-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Cc1ccccc1C(Oc1cc(OCc2ccncc2)ccc1C#N)C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50152710, &quot;data-inchi_base&quot;: &quot;KUSKJEWEPSLVPY-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 562, &quot;data-Ligand_InChI_Key&quot;: &quot;KUSKJEWEPSLVPY-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 562, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50152710&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cc1ccccc1C(Oc1cc(OCc2ccncc2)ccc1C#N)C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KUSKJEWEPSLVPY-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KUSKJEWEPSLVPY-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Cc1ccccc1C(Oc1cc(OCc2ccncc2)ccc1C#N)C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50152715, &quot;data-inchi_base&quot;: &quot;KUSKJEWEPSLVPY-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 563, &quot;data-Ligand_InChI_Key&quot;: &quot;KUSKJEWEPSLVPY-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 563, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50152715&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cc1ccccc1C(Oc1cc(OCc2ccncc2)ccc1C#N)C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KUSKJEWEPSLVPY-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KUSKJEWEPSLVPY-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)N[C@@H](CC[NH3+])C(N)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51056159, &quot;data-inchi_base&quot;: &quot;KUZKVXUOMSVPOA-BQBZGAKWSA&quot;, &quot;mols2grid-id&quot;: 564, &quot;data-Ligand_InChI_Key&quot;: &quot;KUZKVXUOMSVPOA-BQBZGAKWSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 564, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51056159&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)N[C@@H](CC[NH3+])C(N)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KUZKVXUOMSVPOA-BQBZGAKWSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KUZKVXUOMSVPOA-BQBZGAKWSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;NCC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N[N+]([O-])=O)C(N)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 39885, &quot;data-inchi_base&quot;: &quot;KUZKVXUOMSVPOA-BQBZGAKWSA&quot;, &quot;mols2grid-id&quot;: 565, &quot;data-Ligand_InChI_Key&quot;: &quot;KUZKVXUOMSVPOA-BQBZGAKWSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 565, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;39885&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NCC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N[N+]([O-])=O)C(N)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KUZKVXUOMSVPOA-BQBZGAKWSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KUZKVXUOMSVPOA-BQBZGAKWSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CNCc1ccc(o1)-c1cc(Cl)cc(Cl)c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51311255, &quot;data-inchi_base&quot;: &quot;KVRNDHJOFNNVSM-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 566, &quot;data-Ligand_InChI_Key&quot;: &quot;KVRNDHJOFNNVSM-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 566, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51311255&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CNCc1ccc(o1)-c1cc(Cl)cc(Cl)c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KVRNDHJOFNNVSM-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KVRNDHJOFNNVSM-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[NH2+]Cc1ccc(o1)-c1cc(Cl)cc(Cl)c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 188418, &quot;data-inchi_base&quot;: &quot;KVRNDHJOFNNVSM-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 567, &quot;data-Ligand_InChI_Key&quot;: &quot;KVRNDHJOFNNVSM-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 567, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;188418&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[NH2+]Cc1ccc(o1)-c1cc(Cl)cc(Cl)c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KVRNDHJOFNNVSM-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KVRNDHJOFNNVSM-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[N+](C)(C)CC(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50701542, &quot;data-inchi_base&quot;: &quot;KWIUHFFTVRNATP-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 568, &quot;data-Ligand_InChI_Key&quot;: &quot;KWIUHFFTVRNATP-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 568, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50701542&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[N+](C)(C)CC(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KWIUHFFTVRNATP-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KWIUHFFTVRNATP-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[N+](C)(C)CC([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50375368, &quot;data-inchi_base&quot;: &quot;KWIUHFFTVRNATP-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 569, &quot;data-Ligand_InChI_Key&quot;: &quot;KWIUHFFTVRNATP-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 569, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50375368&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[N+](C)(C)CC([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KWIUHFFTVRNATP-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KWIUHFFTVRNATP-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;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@]12C&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 377180, &quot;data-inchi_base&quot;: &quot;KXGVEGMKQFWNSR-LLQZFEROSA&quot;, &quot;mols2grid-id&quot;: 570, &quot;data-Ligand_InChI_Key&quot;: &quot;KXGVEGMKQFWNSR-LLQZFEROSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 570, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;377180&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;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@]12C&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KXGVEGMKQFWNSR-LLQZFEROSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KXGVEGMKQFWNSR-LLQZFEROSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;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@]12C&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 395346, &quot;data-inchi_base&quot;: &quot;KXGVEGMKQFWNSR-LLQZFEROSA&quot;, &quot;mols2grid-id&quot;: 571, &quot;data-Ligand_InChI_Key&quot;: &quot;KXGVEGMKQFWNSR-LLQZFEROSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 571, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;395346&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;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@]12C&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KXGVEGMKQFWNSR-LLQZFEROSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KXGVEGMKQFWNSR-LLQZFEROSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(C)[C@H](N)C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 201724, &quot;data-inchi_base&quot;: &quot;KZSNJWFQEVHDMF-BYPYZUCNSA&quot;, &quot;mols2grid-id&quot;: 572, &quot;data-Ligand_InChI_Key&quot;: &quot;KZSNJWFQEVHDMF-BYPYZUCNSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 572, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;201724&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(C)[C@H](N)C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KZSNJWFQEVHDMF-BYPYZUCNSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KZSNJWFQEVHDMF-BYPYZUCNSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(C)[C@H](N)C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51129386, &quot;data-inchi_base&quot;: &quot;KZSNJWFQEVHDMF-BYPYZUCNSA&quot;, &quot;mols2grid-id&quot;: 573, &quot;data-Ligand_InChI_Key&quot;: &quot;KZSNJWFQEVHDMF-BYPYZUCNSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 573, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51129386&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(C)[C@H](N)C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KZSNJWFQEVHDMF-BYPYZUCNSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KZSNJWFQEVHDMF-BYPYZUCNSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CN(CC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1)CC(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50275174, &quot;data-inchi_base&quot;: &quot;KZWQAWBTWNPFPW-QGZVFWFLSA&quot;, &quot;mols2grid-id&quot;: 574, &quot;data-Ligand_InChI_Key&quot;: &quot;KZWQAWBTWNPFPW-QGZVFWFLSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 574, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50275174&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CN(CC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1)CC(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KZWQAWBTWNPFPW-QGZVFWFLSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KZWQAWBTWNPFPW-QGZVFWFLSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CN(CC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1)CC([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50583529, &quot;data-inchi_base&quot;: &quot;KZWQAWBTWNPFPW-QGZVFWFLSA&quot;, &quot;mols2grid-id&quot;: 575, &quot;data-Ligand_InChI_Key&quot;: &quot;KZWQAWBTWNPFPW-QGZVFWFLSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 575, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50583529&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CN(CC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1)CC([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KZWQAWBTWNPFPW-QGZVFWFLSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;KZWQAWBTWNPFPW-QGZVFWFLSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[O-]C(=O)c1ccccc1-c1c2cc(I)c([O-])c(I)c2oc2c(I)c(=O)c(I)cc12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 147972, &quot;data-inchi_base&quot;: &quot;LAINPTZBIXYTIZ-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 576, &quot;data-Ligand_InChI_Key&quot;: &quot;LAINPTZBIXYTIZ-UHFFFAOYSA-L&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 576, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;147972&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[O-]C(=O)c1ccccc1-c1c2cc(I)c([O-])c(I)c2oc2c(I)c(=O)c(I)cc12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LAINPTZBIXYTIZ-UHFFFAOYSA-L&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LAINPTZBIXYTIZ-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)c1ccccc1-c1c2cc(I)c(O)c(I)c2oc2c(I)c(=O)c(I)cc12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51337043, &quot;data-inchi_base&quot;: &quot;LAINPTZBIXYTIZ-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 577, &quot;data-Ligand_InChI_Key&quot;: &quot;LAINPTZBIXYTIZ-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 577, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51337043&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)c1ccccc1-c1c2cc(I)c(O)c(I)c2oc2c(I)c(=O)c(I)cc12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LAINPTZBIXYTIZ-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LAINPTZBIXYTIZ-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Cc1c(nc2ccc(Br)cc2c1C(=O)Nc1ccc(cc1F)C([O-])=O)-c1ccccc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 636825, &quot;data-inchi_base&quot;: &quot;LCFQGSRRJKESSW-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 578, &quot;data-Ligand_InChI_Key&quot;: &quot;LCFQGSRRJKESSW-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 578, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;636825&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cc1c(nc2ccc(Br)cc2c1C(=O)Nc1ccc(cc1F)C([O-])=O)-c1ccccc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LCFQGSRRJKESSW-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LCFQGSRRJKESSW-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Cc1c(nc2ccc(Br)cc2c1C(=O)Nc1ccc(cc1F)C(O)=O)-c1ccccc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 636782, &quot;data-inchi_base&quot;: &quot;LCFQGSRRJKESSW-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 579, &quot;data-Ligand_InChI_Key&quot;: &quot;LCFQGSRRJKESSW-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 579, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;636782&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cc1c(nc2ccc(Br)cc2c1C(=O)Nc1ccc(cc1F)C(O)=O)-c1ccccc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LCFQGSRRJKESSW-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LCFQGSRRJKESSW-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[NH+](C)CCNS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccccc12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 199437, &quot;data-inchi_base&quot;: &quot;LCRTXDJHXKNNDU-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 580, &quot;data-Ligand_InChI_Key&quot;: &quot;LCRTXDJHXKNNDU-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 580, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;199437&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[NH+](C)CCNS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccccc12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LCRTXDJHXKNNDU-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LCRTXDJHXKNNDU-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CN(C)CCNS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccccc12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 13078, &quot;data-inchi_base&quot;: &quot;LCRTXDJHXKNNDU-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 581, &quot;data-Ligand_InChI_Key&quot;: &quot;LCRTXDJHXKNNDU-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 581, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;13078&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CN(C)CCNS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccccc12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LCRTXDJHXKNNDU-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LCRTXDJHXKNNDU-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(=O)C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 201690, &quot;data-inchi_base&quot;: &quot;LCTONWCANYUPML-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 582, &quot;data-Ligand_InChI_Key&quot;: &quot;LCTONWCANYUPML-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 582, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;201690&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(=O)C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LCTONWCANYUPML-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LCTONWCANYUPML-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(=O)C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50494659, &quot;data-inchi_base&quot;: &quot;LCTONWCANYUPML-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 583, &quot;data-Ligand_InChI_Key&quot;: &quot;LCTONWCANYUPML-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 583, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50494659&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(=O)C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LCTONWCANYUPML-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LCTONWCANYUPML-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Cn1c(O)c(C2=Nc3ccccc3\\\\C2=N/OCCN2CCCC2)c2cccc(Br)c12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51002876, &quot;data-inchi_base&quot;: &quot;LEBAXTFUELGCGQ-LHLOQNFPSA&quot;, &quot;mols2grid-id&quot;: 584, &quot;data-Ligand_InChI_Key&quot;: &quot;LEBAXTFUELGCGQ-LHLOQNFPSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 584, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51002876&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cn1c(O)c(C2=Nc3ccccc3\\\\C2=N/OCCN2CCCC2)c2cccc(Br)c12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LEBAXTFUELGCGQ-LHLOQNFPSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LEBAXTFUELGCGQ-LHLOQNFPSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Cn1c(O)c(C2=Nc3ccccc3\\\\C2=N/OCC[NH+]2CCCC2)c2cccc(Br)c12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51002905, &quot;data-inchi_base&quot;: &quot;LEBAXTFUELGCGQ-LHLOQNFPSA&quot;, &quot;mols2grid-id&quot;: 585, &quot;data-Ligand_InChI_Key&quot;: &quot;LEBAXTFUELGCGQ-LHLOQNFPSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 585, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51002905&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cn1c(O)c(C2=Nc3ccccc3\\\\C2=N/OCC[NH+]2CCCC2)c2cccc(Br)c12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LEBAXTFUELGCGQ-LHLOQNFPSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LEBAXTFUELGCGQ-LHLOQNFPSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[Li+].Cn1c(nc(c1-c1ccncc1)-c1ccc(F)cc1)-c1cn(CC([O-])=O)nn1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51207207, &quot;data-inchi_base&quot;: &quot;LEJCWBHWMGCZAT-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 586, &quot;data-Ligand_InChI_Key&quot;: &quot;LEJCWBHWMGCZAT-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 586, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51207207&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[Li+].Cn1c(nc(c1-c1ccncc1)-c1ccc(F)cc1)-c1cn(CC([O-])=O)nn1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LEJCWBHWMGCZAT-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LEJCWBHWMGCZAT-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Cn1c(nc(c1-c1ccncc1)-c1ccc(F)cc1)-c1cn(CC(O)=O)nn1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51207159, &quot;data-inchi_base&quot;: &quot;LEJCWBHWMGCZAT-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 587, &quot;data-Ligand_InChI_Key&quot;: &quot;LEJCWBHWMGCZAT-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 587, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51207159&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cn1c(nc(c1-c1ccncc1)-c1ccc(F)cc1)-c1cn(CC(O)=O)nn1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LEJCWBHWMGCZAT-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LEJCWBHWMGCZAT-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)Cc1cccc(Oc2ccccc2)c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50103034, &quot;data-inchi_base&quot;: &quot;LEMRHTTWKDVQEI-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 588, &quot;data-Ligand_InChI_Key&quot;: &quot;LEMRHTTWKDVQEI-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 588, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50103034&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)Cc1cccc(Oc2ccccc2)c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LEMRHTTWKDVQEI-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LEMRHTTWKDVQEI-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[Na+].[O-]C(=O)Cc1cccc(Oc2ccccc2)c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50602043, &quot;data-inchi_base&quot;: &quot;LEMRHTTWKDVQEI-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 589, &quot;data-Ligand_InChI_Key&quot;: &quot;LEMRHTTWKDVQEI-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 589, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50602043&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[Na+].[O-]C(=O)Cc1cccc(Oc2ccccc2)c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LEMRHTTWKDVQEI-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LEMRHTTWKDVQEI-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3Cc4ccccc4C3)cc2)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 786762, &quot;data-inchi_base&quot;: &quot;LERULKZHANTCLJ-DEOSSOPVSA&quot;, &quot;mols2grid-id&quot;: 590, &quot;data-Ligand_InChI_Key&quot;: &quot;LERULKZHANTCLJ-DEOSSOPVSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 590, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;786762&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3Cc4ccccc4C3)cc2)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LERULKZHANTCLJ-DEOSSOPVSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LERULKZHANTCLJ-DEOSSOPVSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC#C[C@@H](CC([O-])=O)c1ccc(OCc2ccc(CN3Cc4ccccc4C3)cc2)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 786772, &quot;data-inchi_base&quot;: &quot;LERULKZHANTCLJ-DEOSSOPVSA&quot;, &quot;mols2grid-id&quot;: 591, &quot;data-Ligand_InChI_Key&quot;: &quot;LERULKZHANTCLJ-DEOSSOPVSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 591, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;786772&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC#C[C@@H](CC([O-])=O)c1ccc(OCc2ccc(CN3Cc4ccccc4C3)cc2)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LERULKZHANTCLJ-DEOSSOPVSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LERULKZHANTCLJ-DEOSSOPVSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(N)=NCCCC[C@H](N)C(=O)Nc1nnn[nH]1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51022777, &quot;data-inchi_base&quot;: &quot;LGLHLXSNASPEAX-ZETCQYMHSA&quot;, &quot;mols2grid-id&quot;: 592, &quot;data-Ligand_InChI_Key&quot;: &quot;LGLHLXSNASPEAX-ZETCQYMHSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 592, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51022777&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(N)=NCCCC[C@H](N)C(=O)Nc1nnn[nH]1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LGLHLXSNASPEAX-ZETCQYMHSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LGLHLXSNASPEAX-ZETCQYMHSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(N)=[NH+]CCCC[C@H]([NH3+])C(=O)Nc1nnn[nH]1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50810889, &quot;data-inchi_base&quot;: &quot;LGLHLXSNASPEAX-ZETCQYMHSA&quot;, &quot;mols2grid-id&quot;: 593, &quot;data-Ligand_InChI_Key&quot;: &quot;LGLHLXSNASPEAX-ZETCQYMHSA-P&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 593, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50810889&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(N)=[NH+]CCCC[C@H]([NH3+])C(=O)Nc1nnn[nH]1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LGLHLXSNASPEAX-ZETCQYMHSA-P&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LGLHLXSNASPEAX-ZETCQYMHSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(=O)N(O)CC=CP(O)([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51088309, &quot;data-inchi_base&quot;: &quot;LJCWFOKLHHHANO-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 594, &quot;data-Ligand_InChI_Key&quot;: &quot;LJCWFOKLHHHANO-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 594, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51088309&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(=O)N(O)CC=CP(O)([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LJCWFOKLHHHANO-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LJCWFOKLHHHANO-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(=O)N(O)CC=CP(O)(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51033772, &quot;data-inchi_base&quot;: &quot;LJCWFOKLHHHANO-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 595, &quot;data-Ligand_InChI_Key&quot;: &quot;LJCWFOKLHHHANO-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 595, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51033772&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(=O)N(O)CC=CP(O)(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LJCWFOKLHHHANO-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LJCWFOKLHHHANO-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Cc1cc(Nc2ncc(c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)-c2ccc3ccccc3n2)cc(C)n1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50386035, &quot;data-inchi_base&quot;: &quot;LKWUVRWXZPRGNM-BMZZKGLRSA&quot;, &quot;mols2grid-id&quot;: 596, &quot;data-Ligand_InChI_Key&quot;: &quot;LKWUVRWXZPRGNM-BMZZKGLRSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 596, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50386035&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cc1cc(Nc2ncc(c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)-c2ccc3ccccc3n2)cc(C)n1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LKWUVRWXZPRGNM-BMZZKGLRSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LKWUVRWXZPRGNM-BMZZKGLRSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Cc1cc(Nc2ncc(-c3ccc4ccccc4n3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)[nH+]2)cc(C)n1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 580204, &quot;data-inchi_base&quot;: &quot;LKWUVRWXZPRGNM-BMZZKGLRSA&quot;, &quot;mols2grid-id&quot;: 597, &quot;data-Ligand_InChI_Key&quot;: &quot;LKWUVRWXZPRGNM-BMZZKGLRSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 597, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;580204&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cc1cc(Nc2ncc(-c3ccc4ccccc4n3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)[nH+]2)cc(C)n1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LKWUVRWXZPRGNM-BMZZKGLRSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LKWUVRWXZPRGNM-BMZZKGLRSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC1(CC[NH+](CCCC(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50792039, &quot;data-inchi_base&quot;: &quot;LLQCATMGHGFZSS-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 598, &quot;data-Ligand_InChI_Key&quot;: &quot;LLQCATMGHGFZSS-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 598, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50792039&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC1(CC[NH+](CCCC(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LLQCATMGHGFZSS-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LLQCATMGHGFZSS-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC1(CCN(CCCC(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50501512, &quot;data-inchi_base&quot;: &quot;LLQCATMGHGFZSS-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 599, &quot;data-Ligand_InChI_Key&quot;: &quot;LLQCATMGHGFZSS-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 599, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50501512&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC1(CCN(CCCC(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LLQCATMGHGFZSS-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LLQCATMGHGFZSS-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCN(CC)C([S-])=S&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 340707, &quot;data-inchi_base&quot;: &quot;LMBWSYZSUOEYSN-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 600, &quot;data-Ligand_InChI_Key&quot;: &quot;LMBWSYZSUOEYSN-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 600, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;340707&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCN(CC)C([S-])=S&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LMBWSYZSUOEYSN-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LMBWSYZSUOEYSN-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCN(CC)C(S)=S&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50468324, &quot;data-inchi_base&quot;: &quot;LMBWSYZSUOEYSN-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 601, &quot;data-Ligand_InChI_Key&quot;: &quot;LMBWSYZSUOEYSN-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 601, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50468324&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCN(CC)C(S)=S&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LMBWSYZSUOEYSN-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LMBWSYZSUOEYSN-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCCc1c(OCC(O)COc2ccc3c(oc(cc3=O)C([O-])=O)c2CCC)ccc(C(C)=O)c1O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50029874, &quot;data-inchi_base&quot;: &quot;LMQBMWHHGVZWMR-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 602, &quot;data-Ligand_InChI_Key&quot;: &quot;LMQBMWHHGVZWMR-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 602, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50029874&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCc1c(OCC(O)COc2ccc3c(oc(cc3=O)C([O-])=O)c2CCC)ccc(C(C)=O)c1O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LMQBMWHHGVZWMR-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LMQBMWHHGVZWMR-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCCc1c(OCC(O)COc2ccc3c(oc(cc3=O)C(O)=O)c2CCC)ccc(C(C)=O)c1O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50013566, &quot;data-inchi_base&quot;: &quot;LMQBMWHHGVZWMR-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 603, &quot;data-Ligand_InChI_Key&quot;: &quot;LMQBMWHHGVZWMR-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 603, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50013566&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCc1c(OCC(O)COc2ccc3c(oc(cc3=O)C(O)=O)c2CCC)ccc(C(C)=O)c1O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LMQBMWHHGVZWMR-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LMQBMWHHGVZWMR-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(C[n+]1cccc(Cc2ccccc2)c1)(P(O)(O)=O)P(O)([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50831980, &quot;data-inchi_base&quot;: &quot;LMXLIUVKPWDEGJ-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 604, &quot;data-Ligand_InChI_Key&quot;: &quot;LMXLIUVKPWDEGJ-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 604, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50831980&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(C[n+]1cccc(Cc2ccccc2)c1)(P(O)(O)=O)P(O)([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LMXLIUVKPWDEGJ-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LMXLIUVKPWDEGJ-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(C[n+]1cccc(Cc2ccccc2)c1)(P(O)(O)=O)P(O)(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50833377, &quot;data-inchi_base&quot;: &quot;LMXLIUVKPWDEGJ-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 605, &quot;data-Ligand_InChI_Key&quot;: &quot;LMXLIUVKPWDEGJ-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 605, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50833377&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(C[n+]1cccc(Cc2ccccc2)c1)(P(O)(O)=O)P(O)(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LMXLIUVKPWDEGJ-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LMXLIUVKPWDEGJ-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Nc1ncnc2n(cnc12)[C@@H]1O[C@H](C[C@@H]([NH3+])CC[C@H]([NH3+])C([O-])=O)[C@@H](O)[C@H]1O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 350353, &quot;data-inchi_base&quot;: &quot;LMXOHSDXUQEUSF-YECHIGJVSA&quot;, &quot;mols2grid-id&quot;: 606, &quot;data-Ligand_InChI_Key&quot;: &quot;LMXOHSDXUQEUSF-YECHIGJVSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 606, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;350353&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Nc1ncnc2n(cnc12)[C@@H]1O[C@H](C[C@@H]([NH3+])CC[C@H]([NH3+])C([O-])=O)[C@@H](O)[C@H]1O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LMXOHSDXUQEUSF-YECHIGJVSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LMXOHSDXUQEUSF-YECHIGJVSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;N[C@@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 1129709, &quot;data-inchi_base&quot;: &quot;LMXOHSDXUQEUSF-YECHIGJVSA&quot;, &quot;mols2grid-id&quot;: 607, &quot;data-Ligand_InChI_Key&quot;: &quot;LMXOHSDXUQEUSF-YECHIGJVSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 607, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;1129709&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;N[C@@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LMXOHSDXUQEUSF-YECHIGJVSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LMXOHSDXUQEUSF-YECHIGJVSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[O-]C(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 178946, &quot;data-inchi_base&quot;: &quot;LPEPZBJOKDYZAD-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 608, &quot;data-Ligand_InChI_Key&quot;: &quot;LPEPZBJOKDYZAD-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 608, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;178946&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[O-]C(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LPEPZBJOKDYZAD-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LPEPZBJOKDYZAD-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 31646, &quot;data-inchi_base&quot;: &quot;LPEPZBJOKDYZAD-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 609, &quot;data-Ligand_InChI_Key&quot;: &quot;LPEPZBJOKDYZAD-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 609, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;31646&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LPEPZBJOKDYZAD-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LPEPZBJOKDYZAD-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 293326, &quot;data-inchi_base&quot;: &quot;LPQZKKCYTLCDGQ-WEDXCCLWSA&quot;, &quot;mols2grid-id&quot;: 610, &quot;data-Ligand_InChI_Key&quot;: &quot;LPQZKKCYTLCDGQ-WEDXCCLWSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 610, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;293326&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LPQZKKCYTLCDGQ-WEDXCCLWSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LPQZKKCYTLCDGQ-WEDXCCLWSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50009758, &quot;data-inchi_base&quot;: &quot;LPQZKKCYTLCDGQ-WEDXCCLWSA&quot;, &quot;mols2grid-id&quot;: 611, &quot;data-Ligand_InChI_Key&quot;: &quot;LPQZKKCYTLCDGQ-WEDXCCLWSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 611, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50009758&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LPQZKKCYTLCDGQ-WEDXCCLWSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LPQZKKCYTLCDGQ-WEDXCCLWSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)NCc1ccc(C)cc1)-c1ccc(F)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 32903, &quot;data-inchi_base&quot;: &quot;LRVVTOGAGAXSRZ-DHIUTWEWSA&quot;, &quot;mols2grid-id&quot;: 612, &quot;data-Ligand_InChI_Key&quot;: &quot;LRVVTOGAGAXSRZ-DHIUTWEWSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 612, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;32903&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)NCc1ccc(C)cc1)-c1ccc(F)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LRVVTOGAGAXSRZ-DHIUTWEWSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LRVVTOGAGAXSRZ-DHIUTWEWSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)NCc1ccc(C)cc1)-c1ccc(F)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 37441, &quot;data-inchi_base&quot;: &quot;LRVVTOGAGAXSRZ-DHIUTWEWSA&quot;, &quot;mols2grid-id&quot;: 613, &quot;data-Ligand_InChI_Key&quot;: &quot;LRVVTOGAGAXSRZ-DHIUTWEWSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 613, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;37441&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)NCc1ccc(C)cc1)-c1ccc(F)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LRVVTOGAGAXSRZ-DHIUTWEWSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LRVVTOGAGAXSRZ-DHIUTWEWSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OS([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 49455, &quot;data-inchi_base&quot;: &quot;LSNNMFCWUKXFEE-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 614, &quot;data-Ligand_InChI_Key&quot;: &quot;LSNNMFCWUKXFEE-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 614, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;49455&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OS([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LSNNMFCWUKXFEE-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LSNNMFCWUKXFEE-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OS(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50468317, &quot;data-inchi_base&quot;: &quot;LSNNMFCWUKXFEE-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 615, &quot;data-Ligand_InChI_Key&quot;: &quot;LSNNMFCWUKXFEE-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 615, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50468317&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OS(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LSNNMFCWUKXFEE-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LSNNMFCWUKXFEE-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;O[As](O)(=O)c1ccccc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 49461, &quot;data-inchi_base&quot;: &quot;LVKZSFMYNWRPJX-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 616, &quot;data-Ligand_InChI_Key&quot;: &quot;LVKZSFMYNWRPJX-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 616, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;49461&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;O[As](O)(=O)c1ccccc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LVKZSFMYNWRPJX-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LVKZSFMYNWRPJX-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;O[As]([O-])(=O)c1ccccc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50979558, &quot;data-inchi_base&quot;: &quot;LVKZSFMYNWRPJX-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 617, &quot;data-Ligand_InChI_Key&quot;: &quot;LVKZSFMYNWRPJX-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 617, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50979558&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;O[As]([O-])(=O)c1ccccc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LVKZSFMYNWRPJX-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LVKZSFMYNWRPJX-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;O[C@H]1C[C@@H](O[C@@H]1COP([O-])([O-])=O)n1cc([N+]([O-])=O)c(=O)[nH]c1=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50028918, &quot;data-inchi_base&quot;: &quot;LVLPVLNNXRTCHP-RRKCRQDMSA&quot;, &quot;mols2grid-id&quot;: 618, &quot;data-Ligand_InChI_Key&quot;: &quot;LVLPVLNNXRTCHP-RRKCRQDMSA-L&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 618, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50028918&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;O[C@H]1C[C@@H](O[C@@H]1COP([O-])([O-])=O)n1cc([N+]([O-])=O)c(=O)[nH]c1=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LVLPVLNNXRTCHP-RRKCRQDMSA-L&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LVLPVLNNXRTCHP-RRKCRQDMSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)n1cc([N+]([O-])=O)c(=O)[nH]c1=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50089706, &quot;data-inchi_base&quot;: &quot;LVLPVLNNXRTCHP-RRKCRQDMSA&quot;, &quot;mols2grid-id&quot;: 619, &quot;data-Ligand_InChI_Key&quot;: &quot;LVLPVLNNXRTCHP-RRKCRQDMSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 619, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50089706&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)n1cc([N+]([O-])=O)c(=O)[nH]c1=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LVLPVLNNXRTCHP-RRKCRQDMSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LVLPVLNNXRTCHP-RRKCRQDMSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(C)Oc1cc(Nc2ncc(c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)[nH+]2)-c2ccc3ccccc3n2)ccn1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 580206, &quot;data-inchi_base&quot;: &quot;LXFJUSIWCMBIBJ-XTUVKROYSA&quot;, &quot;mols2grid-id&quot;: 620, &quot;data-Ligand_InChI_Key&quot;: &quot;LXFJUSIWCMBIBJ-XTUVKROYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 620, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;580206&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(C)Oc1cc(Nc2ncc(c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)[nH+]2)-c2ccc3ccccc3n2)ccn1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LXFJUSIWCMBIBJ-XTUVKROYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LXFJUSIWCMBIBJ-XTUVKROYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(C)Oc1cc(Nc2ncc(c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)-c2ccc3ccccc3n2)ccn1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50386037, &quot;data-inchi_base&quot;: &quot;LXFJUSIWCMBIBJ-XTUVKROYSA&quot;, &quot;mols2grid-id&quot;: 621, &quot;data-Ligand_InChI_Key&quot;: &quot;LXFJUSIWCMBIBJ-XTUVKROYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 621, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50386037&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(C)Oc1cc(Nc2ncc(c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)-c2ccc3ccccc3n2)ccn1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LXFJUSIWCMBIBJ-XTUVKROYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LXFJUSIWCMBIBJ-XTUVKROYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[NH3+]CCC[NH2+]CCCCCC(=O)C(F)(F)F&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 293372, &quot;data-inchi_base&quot;: &quot;LYHQJWHAOKHZFC-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 622, &quot;data-Ligand_InChI_Key&quot;: &quot;LYHQJWHAOKHZFC-UHFFFAOYSA-P&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 622, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;293372&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[NH3+]CCC[NH2+]CCCCCC(=O)C(F)(F)F&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LYHQJWHAOKHZFC-UHFFFAOYSA-P&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LYHQJWHAOKHZFC-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;NCCCNCCCCCC(=O)C(F)(F)F&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51072481, &quot;data-inchi_base&quot;: &quot;LYHQJWHAOKHZFC-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 623, &quot;data-Ligand_InChI_Key&quot;: &quot;LYHQJWHAOKHZFC-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 623, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51072481&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NCCCNCCCCCC(=O)C(F)(F)F&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LYHQJWHAOKHZFC-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LYHQJWHAOKHZFC-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[O-]C(=O)c1cc(nc2ccc(Br)cc12)-c1ccco1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 123276, &quot;data-inchi_base&quot;: &quot;LZLBRWWWEBHEDO-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 624, &quot;data-Ligand_InChI_Key&quot;: &quot;LZLBRWWWEBHEDO-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 624, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;123276&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[O-]C(=O)c1cc(nc2ccc(Br)cc12)-c1ccco1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LZLBRWWWEBHEDO-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LZLBRWWWEBHEDO-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)c1cc(nc2ccc(Br)cc12)-c1ccco1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 75275, &quot;data-inchi_base&quot;: &quot;LZLBRWWWEBHEDO-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 625, &quot;data-Ligand_InChI_Key&quot;: &quot;LZLBRWWWEBHEDO-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 625, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;75275&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)c1cc(nc2ccc(Br)cc12)-c1ccco1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LZLBRWWWEBHEDO-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;LZLBRWWWEBHEDO-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(Sc3cc4ccccc4s3)=C(N2C1=O)C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50622368, &quot;data-inchi_base&quot;: &quot;MARAOMYICBQCLN-HFOBELJZSA&quot;, &quot;mols2grid-id&quot;: 626, &quot;data-Ligand_InChI_Key&quot;: &quot;MARAOMYICBQCLN-HFOBELJZSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 626, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50622368&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(Sc3cc4ccccc4s3)=C(N2C1=O)C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MARAOMYICBQCLN-HFOBELJZSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MARAOMYICBQCLN-HFOBELJZSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[Na+].C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(Sc3cc4ccccc4s3)=C(N2C1=O)C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50563031, &quot;data-inchi_base&quot;: &quot;MARAOMYICBQCLN-HFOBELJZSA&quot;, &quot;mols2grid-id&quot;: 627, &quot;data-Ligand_InChI_Key&quot;: &quot;MARAOMYICBQCLN-HFOBELJZSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 627, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50563031&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[Na+].C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(Sc3cc4ccccc4s3)=C(N2C1=O)C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MARAOMYICBQCLN-HFOBELJZSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MARAOMYICBQCLN-HFOBELJZSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 162839, &quot;data-inchi_base&quot;: &quot;MEFKEPWMEQBLKI-AIRLBKTGSA&quot;, &quot;mols2grid-id&quot;: 628, &quot;data-Ligand_InChI_Key&quot;: &quot;MEFKEPWMEQBLKI-AIRLBKTGSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 628, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;162839&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MEFKEPWMEQBLKI-AIRLBKTGSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MEFKEPWMEQBLKI-AIRLBKTGSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[S+](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51257519, &quot;data-inchi_base&quot;: &quot;MEFKEPWMEQBLKI-AIRLBKTGSA&quot;, &quot;mols2grid-id&quot;: 629, &quot;data-Ligand_InChI_Key&quot;: &quot;MEFKEPWMEQBLKI-AIRLBKTGSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 629, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51257519&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[S+](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MEFKEPWMEQBLKI-AIRLBKTGSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MEFKEPWMEQBLKI-AIRLBKTGSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[Na+].[Na+].[Na+].[Na+].Nc1ncnc2n(CCOCP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)cnc12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51178425, &quot;data-inchi_base&quot;: &quot;MELHEUHXJKQZNC-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 630, &quot;data-Ligand_InChI_Key&quot;: &quot;MELHEUHXJKQZNC-UHFFFAOYSA-J&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 630, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51178425&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[Na+].[Na+].[Na+].[Na+].Nc1ncnc2n(CCOCP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)cnc12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MELHEUHXJKQZNC-UHFFFAOYSA-J&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MELHEUHXJKQZNC-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Nc1ncnc2n(CCOCP(O)(=O)OP(O)(=O)OP(O)(O)=O)cnc12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51170087, &quot;data-inchi_base&quot;: &quot;MELHEUHXJKQZNC-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 631, &quot;data-Ligand_InChI_Key&quot;: &quot;MELHEUHXJKQZNC-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 631, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51170087&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Nc1ncnc2n(CCOCP(O)(=O)OP(O)(=O)OP(O)(O)=O)cnc12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MELHEUHXJKQZNC-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MELHEUHXJKQZNC-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(C)c1cccc(C(C)C)c1OC(=O)NS(=O)(=O)Oc1c(cccc1C(C)C)C(C)C&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50779916, &quot;data-inchi_base&quot;: &quot;MHCQGCLTFBMETG-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 632, &quot;data-Ligand_InChI_Key&quot;: &quot;MHCQGCLTFBMETG-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 632, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50779916&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(C)c1cccc(C(C)C)c1OC(=O)NS(=O)(=O)Oc1c(cccc1C(C)C)C(C)C&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MHCQGCLTFBMETG-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MHCQGCLTFBMETG-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(C)c1cccc(C(C)C)c1OC(=O)[N-]S(=O)(=O)Oc1c(cccc1C(C)C)C(C)C&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50008737, &quot;data-inchi_base&quot;: &quot;MHCQGCLTFBMETG-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 633, &quot;data-Ligand_InChI_Key&quot;: &quot;MHCQGCLTFBMETG-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 633, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50008737&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(C)c1cccc(C(C)C)c1OC(=O)[N-]S(=O)(=O)Oc1c(cccc1C(C)C)C(C)C&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MHCQGCLTFBMETG-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MHCQGCLTFBMETG-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2\\\\C1=N/OCCN1CCCC1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51002925, &quot;data-inchi_base&quot;: &quot;MNFBRXZPUKLZEN-LHLOQNFPSA&quot;, &quot;mols2grid-id&quot;: 634, &quot;data-Ligand_InChI_Key&quot;: &quot;MNFBRXZPUKLZEN-LHLOQNFPSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 634, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51002925&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2\\\\C1=N/OCCN1CCCC1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MNFBRXZPUKLZEN-LHLOQNFPSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MNFBRXZPUKLZEN-LHLOQNFPSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2\\\\C1=N/OCC[NH+]1CCCC1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51002892, &quot;data-inchi_base&quot;: &quot;MNFBRXZPUKLZEN-LHLOQNFPSA&quot;, &quot;mols2grid-id&quot;: 635, &quot;data-Ligand_InChI_Key&quot;: &quot;MNFBRXZPUKLZEN-LHLOQNFPSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 635, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51002892&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2\\\\C1=N/OCC[NH+]1CCCC1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MNFBRXZPUKLZEN-LHLOQNFPSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MNFBRXZPUKLZEN-LHLOQNFPSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)CN1C(=S)S\\\\C(=C/c2ccc(O)c(O)c2)C1=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50268028, &quot;data-inchi_base&quot;: &quot;MNPZQUQRMCXSTL-WTKPLQERSA&quot;, &quot;mols2grid-id&quot;: 636, &quot;data-Ligand_InChI_Key&quot;: &quot;MNPZQUQRMCXSTL-WTKPLQERSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 636, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50268028&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)CN1C(=S)S\\\\C(=C/c2ccc(O)c(O)c2)C1=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MNPZQUQRMCXSTL-WTKPLQERSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MNPZQUQRMCXSTL-WTKPLQERSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Oc1ccc(\\\\C=C2/SC(=S)N(CC([O-])=O)C2=O)cc1O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 111032, &quot;data-inchi_base&quot;: &quot;MNPZQUQRMCXSTL-WTKPLQERSA&quot;, &quot;mols2grid-id&quot;: 637, &quot;data-Ligand_InChI_Key&quot;: &quot;MNPZQUQRMCXSTL-WTKPLQERSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 637, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;111032&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Oc1ccc(\\\\C=C2/SC(=S)N(CC([O-])=O)C2=O)cc1O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MNPZQUQRMCXSTL-WTKPLQERSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MNPZQUQRMCXSTL-WTKPLQERSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[O-]C(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cccnc23)c(F)c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50265694, &quot;data-inchi_base&quot;: &quot;MOBGLSPZTAMCCO-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 638, &quot;data-Ligand_InChI_Key&quot;: &quot;MOBGLSPZTAMCCO-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 638, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50265694&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[O-]C(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cccnc23)c(F)c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MOBGLSPZTAMCCO-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MOBGLSPZTAMCCO-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cccnc23)c(F)c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51245382, &quot;data-inchi_base&quot;: &quot;MOBGLSPZTAMCCO-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 639, &quot;data-Ligand_InChI_Key&quot;: &quot;MOBGLSPZTAMCCO-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 639, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51245382&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cccnc23)c(F)c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MOBGLSPZTAMCCO-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MOBGLSPZTAMCCO-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(C)Cc1cc(ccc1OCC(O)=O)-c1ccc(cc1Cc1ccccc1)-c1ccc(CCC(O)=O)cc1CC(C)C&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 56508, &quot;data-inchi_base&quot;: &quot;MOTQYJLKPNIITG-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 640, &quot;data-Ligand_InChI_Key&quot;: &quot;MOTQYJLKPNIITG-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 640, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;56508&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(C)Cc1cc(ccc1OCC(O)=O)-c1ccc(cc1Cc1ccccc1)-c1ccc(CCC(O)=O)cc1CC(C)C&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MOTQYJLKPNIITG-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MOTQYJLKPNIITG-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[NH4+].[NH4+].CC(C)Cc1cc(ccc1OCC([O-])=O)-c1ccc(cc1Cc1ccccc1)-c1ccc(CCC([O-])=O)cc1CC(C)C&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50887441, &quot;data-inchi_base&quot;: &quot;MOTQYJLKPNIITG-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 641, &quot;data-Ligand_InChI_Key&quot;: &quot;MOTQYJLKPNIITG-UHFFFAOYSA-L&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 641, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50887441&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[NH4+].[NH4+].CC(C)Cc1cc(ccc1OCC([O-])=O)-c1ccc(cc1Cc1ccccc1)-c1ccc(CCC([O-])=O)cc1CC(C)C&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MOTQYJLKPNIITG-UHFFFAOYSA-L&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MOTQYJLKPNIITG-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCCCCCCCCCCCOc1ccc[n+](CC(P(O)(O)=O)P(O)(O)=O)c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 294418, &quot;data-inchi_base&quot;: &quot;MQXBHLXYQURAFW-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 642, &quot;data-Ligand_InChI_Key&quot;: &quot;MQXBHLXYQURAFW-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 642, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;294418&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCCCCCCCCCCOc1ccc[n+](CC(P(O)(O)=O)P(O)(O)=O)c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MQXBHLXYQURAFW-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MQXBHLXYQURAFW-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCCCCCCCCCCCOc1ccc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 45927, &quot;data-inchi_base&quot;: &quot;MQXBHLXYQURAFW-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 643, &quot;data-Ligand_InChI_Key&quot;: &quot;MQXBHLXYQURAFW-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 643, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;45927&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCCCCCCCCCCOc1ccc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MQXBHLXYQURAFW-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MQXBHLXYQURAFW-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;O[C@H]1[C@@H](O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1OP(O)(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50131476, &quot;data-inchi_base&quot;: &quot;MRVYFOANPDTYBY-UZAAGFTCSA&quot;, &quot;mols2grid-id&quot;: 644, &quot;data-Ligand_InChI_Key&quot;: &quot;MRVYFOANPDTYBY-UZAAGFTCSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 644, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50131476&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;O[C@H]1[C@@H](O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1OP(O)(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MRVYFOANPDTYBY-UZAAGFTCSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MRVYFOANPDTYBY-UZAAGFTCSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;O[C@H]1[C@@H](O)[C@H](OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@H]1OP([O-])([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 374930, &quot;data-inchi_base&quot;: &quot;MRVYFOANPDTYBY-UZAAGFTCSA&quot;, &quot;mols2grid-id&quot;: 645, &quot;data-Ligand_InChI_Key&quot;: &quot;MRVYFOANPDTYBY-UZAAGFTCSA-F&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 645, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;374930&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;O[C@H]1[C@@H](O)[C@H](OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@H]1OP([O-])([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MRVYFOANPDTYBY-UZAAGFTCSA-F&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MRVYFOANPDTYBY-UZAAGFTCSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;O[C@H]1[C@@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50131475, &quot;data-inchi_base&quot;: &quot;MRVYFOANPDTYBY-YORTWTKJSA&quot;, &quot;mols2grid-id&quot;: 646, &quot;data-Ligand_InChI_Key&quot;: &quot;MRVYFOANPDTYBY-YORTWTKJSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 646, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50131475&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;O[C@H]1[C@@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MRVYFOANPDTYBY-YORTWTKJSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MRVYFOANPDTYBY-YORTWTKJSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;O[C@H]1[C@@H](O)[C@@H](OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@@H]1OP([O-])([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 374929, &quot;data-inchi_base&quot;: &quot;MRVYFOANPDTYBY-YORTWTKJSA&quot;, &quot;mols2grid-id&quot;: 647, &quot;data-Ligand_InChI_Key&quot;: &quot;MRVYFOANPDTYBY-YORTWTKJSA-F&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 647, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;374929&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;O[C@H]1[C@@H](O)[C@@H](OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@@H]1OP([O-])([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MRVYFOANPDTYBY-YORTWTKJSA-F&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MRVYFOANPDTYBY-YORTWTKJSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[C@H](NP([O-])(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50029511, &quot;data-inchi_base&quot;: &quot;MSXGVTUDEXFITQ-AAEUAGOBSA&quot;, &quot;mols2grid-id&quot;: 648, &quot;data-Ligand_InChI_Key&quot;: &quot;MSXGVTUDEXFITQ-AAEUAGOBSA-L&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 648, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50029511&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[C@H](NP([O-])(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MSXGVTUDEXFITQ-AAEUAGOBSA-L&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MSXGVTUDEXFITQ-AAEUAGOBSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[C@H](NP(O)(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50991991, &quot;data-inchi_base&quot;: &quot;MSXGVTUDEXFITQ-AAEUAGOBSA&quot;, &quot;mols2grid-id&quot;: 649, &quot;data-Ligand_InChI_Key&quot;: &quot;MSXGVTUDEXFITQ-AAEUAGOBSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 649, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50991991&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[C@H](NP(O)(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MSXGVTUDEXFITQ-AAEUAGOBSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MSXGVTUDEXFITQ-AAEUAGOBSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Cc1cc(C)cc(c1)-c1c(OCCC2CCCC[NH2+]2)c2cc(C(=O)Nc3cnccn3)c(Cl)cc2[nH]c1=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50013576, &quot;data-inchi_base&quot;: &quot;MSZUEUSSCFWRMD-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 650, &quot;data-Ligand_InChI_Key&quot;: &quot;MSZUEUSSCFWRMD-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 650, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50013576&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cc1cc(C)cc(c1)-c1c(OCCC2CCCC[NH2+]2)c2cc(C(=O)Nc3cnccn3)c(Cl)cc2[nH]c1=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MSZUEUSSCFWRMD-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MSZUEUSSCFWRMD-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Cc1cc(C)cc(c1)-c1c(OCCC2CCCCN2)c2cc(C(=O)Nc3cnccn3)c(Cl)cc2[nH]c1=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50161713, &quot;data-inchi_base&quot;: &quot;MSZUEUSSCFWRMD-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 651, &quot;data-Ligand_InChI_Key&quot;: &quot;MSZUEUSSCFWRMD-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 651, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50161713&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cc1cc(C)cc(c1)-c1c(OCCC2CCCCN2)c2cc(C(=O)Nc3cnccn3)c(Cl)cc2[nH]c1=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MSZUEUSSCFWRMD-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MSZUEUSSCFWRMD-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CN1CCC[C@H](C1)Nc1nnc(cc1C)-c1c(C)cc(cc1O)C(F)(F)F&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 1124734, &quot;data-inchi_base&quot;: &quot;MTNPMPXBDIBBDU-CQSZACIVSA&quot;, &quot;mols2grid-id&quot;: 652, &quot;data-Ligand_InChI_Key&quot;: &quot;MTNPMPXBDIBBDU-CQSZACIVSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 652, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;1124734&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CN1CCC[C@H](C1)Nc1nnc(cc1C)-c1c(C)cc(cc1O)C(F)(F)F&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MTNPMPXBDIBBDU-CQSZACIVSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MTNPMPXBDIBBDU-CQSZACIVSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[NH+]1CCC[C@H](C1)Nc1nnc(cc1C)-c1c(C)cc(cc1O)C(F)(F)F&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 1124948, &quot;data-inchi_base&quot;: &quot;MTNPMPXBDIBBDU-CQSZACIVSA&quot;, &quot;mols2grid-id&quot;: 653, &quot;data-Ligand_InChI_Key&quot;: &quot;MTNPMPXBDIBBDU-CQSZACIVSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 653, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;1124948&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[NH+]1CCC[C@H](C1)Nc1nnc(cc1C)-c1c(C)cc(cc1O)C(F)(F)F&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MTNPMPXBDIBBDU-CQSZACIVSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MTNPMPXBDIBBDU-CQSZACIVSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC1=NC(=S)C(S1)=Cc1ccccc1C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50968840, &quot;data-inchi_base&quot;: &quot;MTSFYNDTJVHSSQ-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 654, &quot;data-Ligand_InChI_Key&quot;: &quot;MTSFYNDTJVHSSQ-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 654, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50968840&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC1=NC(=S)C(S1)=Cc1ccccc1C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MTSFYNDTJVHSSQ-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MTSFYNDTJVHSSQ-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)c1ccccc1C=C1SC(O)=NC1=S&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50968842, &quot;data-inchi_base&quot;: &quot;MTSFYNDTJVHSSQ-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 655, &quot;data-Ligand_InChI_Key&quot;: &quot;MTSFYNDTJVHSSQ-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 655, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50968842&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)c1ccccc1C=C1SC(O)=NC1=S&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MTSFYNDTJVHSSQ-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MTSFYNDTJVHSSQ-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(C)COc1ccc(Cl)cc1Cc1cccc(n1)C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51036005, &quot;data-inchi_base&quot;: &quot;MTYADRSQMINDAU-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 656, &quot;data-Ligand_InChI_Key&quot;: &quot;MTYADRSQMINDAU-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 656, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51036005&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(C)COc1ccc(Cl)cc1Cc1cccc(n1)C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MTYADRSQMINDAU-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MTYADRSQMINDAU-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(C)COc1ccc(Cl)cc1Cc1cccc(n1)C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51010983, &quot;data-inchi_base&quot;: &quot;MTYADRSQMINDAU-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 657, &quot;data-Ligand_InChI_Key&quot;: &quot;MTYADRSQMINDAU-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 657, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51010983&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(C)COc1ccc(Cl)cc1Cc1cccc(n1)C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MTYADRSQMINDAU-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MTYADRSQMINDAU-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[O-]C(=O)C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 201683, &quot;data-inchi_base&quot;: &quot;MUBZPKHOEPUJKR-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 658, &quot;data-Ligand_InChI_Key&quot;: &quot;MUBZPKHOEPUJKR-UHFFFAOYSA-L&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 658, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;201683&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[O-]C(=O)C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MUBZPKHOEPUJKR-UHFFFAOYSA-L&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MUBZPKHOEPUJKR-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 26790, &quot;data-inchi_base&quot;: &quot;MUBZPKHOEPUJKR-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 659, &quot;data-Ligand_InChI_Key&quot;: &quot;MUBZPKHOEPUJKR-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 659, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;26790&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MUBZPKHOEPUJKR-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MUBZPKHOEPUJKR-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 308914, &quot;data-inchi_base&quot;: &quot;MUOKSQABCJCOPU-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 660, &quot;data-Ligand_InChI_Key&quot;: &quot;MUOKSQABCJCOPU-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 660, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;308914&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MUOKSQABCJCOPU-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MUOKSQABCJCOPU-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[O-]C(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 201233, &quot;data-inchi_base&quot;: &quot;MUOKSQABCJCOPU-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 661, &quot;data-Ligand_InChI_Key&quot;: &quot;MUOKSQABCJCOPU-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 661, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;201233&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[O-]C(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MUOKSQABCJCOPU-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MUOKSQABCJCOPU-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C1CN[C@@H](C1)c1cccnc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 230331, &quot;data-inchi_base&quot;: &quot;MYKUKUCHPMASKF-VIFPVBQESA&quot;, &quot;mols2grid-id&quot;: 662, &quot;data-Ligand_InChI_Key&quot;: &quot;MYKUKUCHPMASKF-VIFPVBQESA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 662, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;230331&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C1CN[C@@H](C1)c1cccnc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MYKUKUCHPMASKF-VIFPVBQESA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MYKUKUCHPMASKF-VIFPVBQESA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C1C[NH2+][C@@H](C1)c1cccnc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 327921, &quot;data-inchi_base&quot;: &quot;MYKUKUCHPMASKF-VIFPVBQESA&quot;, &quot;mols2grid-id&quot;: 663, &quot;data-Ligand_InChI_Key&quot;: &quot;MYKUKUCHPMASKF-VIFPVBQESA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 663, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;327921&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C1C[NH2+][C@@H](C1)c1cccnc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MYKUKUCHPMASKF-VIFPVBQESA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;MYKUKUCHPMASKF-VIFPVBQESA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1c(O)cc2CCN[C@@H]3Cc4ccccc4-c1c23&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50872265, &quot;data-inchi_base&quot;: &quot;NBDNEUOVIJYCGZ-CYBMUJFWSA&quot;, &quot;mols2grid-id&quot;: 664, &quot;data-Ligand_InChI_Key&quot;: &quot;NBDNEUOVIJYCGZ-CYBMUJFWSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 664, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50872265&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1c(O)cc2CCN[C@@H]3Cc4ccccc4-c1c23&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NBDNEUOVIJYCGZ-CYBMUJFWSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NBDNEUOVIJYCGZ-CYBMUJFWSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1c(O)cc2CC[NH2+][C@@H]3Cc4ccccc4-c1c23&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50918654, &quot;data-inchi_base&quot;: &quot;NBDNEUOVIJYCGZ-CYBMUJFWSA&quot;, &quot;mols2grid-id&quot;: 665, &quot;data-Ligand_InChI_Key&quot;: &quot;NBDNEUOVIJYCGZ-CYBMUJFWSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 665, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50918654&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1c(O)cc2CC[NH2+][C@@H]3Cc4ccccc4-c1c23&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NBDNEUOVIJYCGZ-CYBMUJFWSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NBDNEUOVIJYCGZ-CYBMUJFWSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;NC(N)=NCCC[C@H](NCc1ccc2ccccc2c1)C(=O)NCCCNC(N)=N&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51157387, &quot;data-inchi_base&quot;: &quot;NBHMYLMOACSAPG-SFHVURJKSA&quot;, &quot;mols2grid-id&quot;: 666, &quot;data-Ligand_InChI_Key&quot;: &quot;NBHMYLMOACSAPG-SFHVURJKSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 666, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51157387&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NC(N)=NCCC[C@H](NCc1ccc2ccccc2c1)C(=O)NCCCNC(N)=N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NBHMYLMOACSAPG-SFHVURJKSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NBHMYLMOACSAPG-SFHVURJKSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;NC(=N)NCCCNC(=O)[C@H](CCCNC([NH3+])=N)NCc1ccc2ccccc2c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50019573, &quot;data-inchi_base&quot;: &quot;NBHMYLMOACSAPG-SFHVURJKSA&quot;, &quot;mols2grid-id&quot;: 667, &quot;data-Ligand_InChI_Key&quot;: &quot;NBHMYLMOACSAPG-SFHVURJKSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 667, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50019573&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NC(=N)NCCCNC(=O)[C@H](CCCNC([NH3+])=N)NCc1ccc2ccccc2c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NBHMYLMOACSAPG-SFHVURJKSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NBHMYLMOACSAPG-SFHVURJKSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[O-]P([O-])([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50285645, &quot;data-inchi_base&quot;: &quot;NBIIXXVUZAFLBC-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 668, &quot;data-Ligand_InChI_Key&quot;: &quot;NBIIXXVUZAFLBC-UHFFFAOYSA-K&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 668, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50285645&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[O-]P([O-])([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NBIIXXVUZAFLBC-UHFFFAOYSA-K&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NBIIXXVUZAFLBC-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OP([O-])([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50142009, &quot;data-inchi_base&quot;: &quot;NBIIXXVUZAFLBC-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 669, &quot;data-Ligand_InChI_Key&quot;: &quot;NBIIXXVUZAFLBC-UHFFFAOYSA-L&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 669, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50142009&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OP([O-])([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NBIIXXVUZAFLBC-UHFFFAOYSA-L&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NBIIXXVUZAFLBC-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OP(O)([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50285633, &quot;data-inchi_base&quot;: &quot;NBIIXXVUZAFLBC-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 670, &quot;data-Ligand_InChI_Key&quot;: &quot;NBIIXXVUZAFLBC-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 670, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50285633&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OP(O)([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NBIIXXVUZAFLBC-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NBIIXXVUZAFLBC-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OP(O)(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 26787, &quot;data-inchi_base&quot;: &quot;NBIIXXVUZAFLBC-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 671, &quot;data-Ligand_InChI_Key&quot;: &quot;NBIIXXVUZAFLBC-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 671, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;26787&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OP(O)(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NBIIXXVUZAFLBC-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NBIIXXVUZAFLBC-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCCC(CCC)C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50256945, &quot;data-inchi_base&quot;: &quot;NIJJYAXOARWZEE-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 672, &quot;data-Ligand_InChI_Key&quot;: &quot;NIJJYAXOARWZEE-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 672, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50256945&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCC(CCC)C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NIJJYAXOARWZEE-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NIJJYAXOARWZEE-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCCC(CCC)C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 346185, &quot;data-inchi_base&quot;: &quot;NIJJYAXOARWZEE-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 673, &quot;data-Ligand_InChI_Key&quot;: &quot;NIJJYAXOARWZEE-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 673, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;346185&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCC(CCC)C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NIJJYAXOARWZEE-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NIJJYAXOARWZEE-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1cccc(OC)c1OC(=O)[N-]S(=O)(=O)Oc1c(cccc1C(C)C)C(C)C&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50779914, &quot;data-inchi_base&quot;: &quot;NIJKVTZYXYYLSD-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 674, &quot;data-Ligand_InChI_Key&quot;: &quot;NIJKVTZYXYYLSD-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 674, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50779914&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1cccc(OC)c1OC(=O)[N-]S(=O)(=O)Oc1c(cccc1C(C)C)C(C)C&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NIJKVTZYXYYLSD-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NIJKVTZYXYYLSD-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1cccc(OC)c1OC(=O)NS(=O)(=O)Oc1c(cccc1C(C)C)C(C)C&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50779873, &quot;data-inchi_base&quot;: &quot;NIJKVTZYXYYLSD-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 675, &quot;data-Ligand_InChI_Key&quot;: &quot;NIJKVTZYXYYLSD-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 675, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50779873&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1cccc(OC)c1OC(=O)NS(=O)(=O)Oc1c(cccc1C(C)C)C(C)C&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NIJKVTZYXYYLSD-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NIJKVTZYXYYLSD-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;NC(=[NH2+])c1cc2cc([nH]c2cc1F)-c1cccc(-c2ccccc2)c1O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 25516, &quot;data-inchi_base&quot;: &quot;NKADRYHVDUCFQU-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 676, &quot;data-Ligand_InChI_Key&quot;: &quot;NKADRYHVDUCFQU-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 676, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;25516&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NC(=[NH2+])c1cc2cc([nH]c2cc1F)-c1cccc(-c2ccccc2)c1O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NKADRYHVDUCFQU-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NKADRYHVDUCFQU-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;NC(=N)c1cc2cc([nH]c2cc1F)-c1cccc(-c2ccccc2)c1O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50192553, &quot;data-inchi_base&quot;: &quot;NKADRYHVDUCFQU-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 677, &quot;data-Ligand_InChI_Key&quot;: &quot;NKADRYHVDUCFQU-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 677, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50192553&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NC(=N)c1cc2cc([nH]c2cc1F)-c1cccc(-c2ccccc2)c1O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NKADRYHVDUCFQU-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NKADRYHVDUCFQU-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)N(C)Cc1ccccc1)-c1ccc(F)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 32902, &quot;data-inchi_base&quot;: &quot;NKXSDKKNJJYOFA-DHIUTWEWSA&quot;, &quot;mols2grid-id&quot;: 678, &quot;data-Ligand_InChI_Key&quot;: &quot;NKXSDKKNJJYOFA-DHIUTWEWSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 678, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;32902&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)N(C)Cc1ccccc1)-c1ccc(F)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NKXSDKKNJJYOFA-DHIUTWEWSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NKXSDKKNJJYOFA-DHIUTWEWSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)N(C)Cc1ccccc1)-c1ccc(F)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 37445, &quot;data-inchi_base&quot;: &quot;NKXSDKKNJJYOFA-DHIUTWEWSA&quot;, &quot;mols2grid-id&quot;: 679, &quot;data-Ligand_InChI_Key&quot;: &quot;NKXSDKKNJJYOFA-DHIUTWEWSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 679, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;37445&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)N(C)Cc1ccccc1)-c1ccc(F)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NKXSDKKNJJYOFA-DHIUTWEWSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NKXSDKKNJJYOFA-DHIUTWEWSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50201040, &quot;data-inchi_base&quot;: &quot;NMLMACJWHPHKGR-NCOIDOBVSA&quot;, &quot;mols2grid-id&quot;: 680, &quot;data-Ligand_InChI_Key&quot;: &quot;NMLMACJWHPHKGR-NCOIDOBVSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 680, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50201040&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NMLMACJWHPHKGR-NCOIDOBVSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NMLMACJWHPHKGR-NCOIDOBVSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)n1ccc(=O)[nH]c1=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50172570, &quot;data-inchi_base&quot;: &quot;NMLMACJWHPHKGR-NCOIDOBVSA&quot;, &quot;mols2grid-id&quot;: 681, &quot;data-Ligand_InChI_Key&quot;: &quot;NMLMACJWHPHKGR-NCOIDOBVSA-J&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 681, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50172570&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)n1ccc(=O)[nH]c1=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NMLMACJWHPHKGR-NCOIDOBVSA-J&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NMLMACJWHPHKGR-NCOIDOBVSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1ccc(=O)[nH]c1=O)n1ccc(=O)[nH]c1=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50854798, &quot;data-inchi_base&quot;: &quot;NMLMACJWHPHKGR-WWMDGMSNSA&quot;, &quot;mols2grid-id&quot;: 682, &quot;data-Ligand_InChI_Key&quot;: &quot;NMLMACJWHPHKGR-WWMDGMSNSA-J&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 682, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50854798&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1ccc(=O)[nH]c1=O)n1ccc(=O)[nH]c1=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NMLMACJWHPHKGR-WWMDGMSNSA-J&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NMLMACJWHPHKGR-WWMDGMSNSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;O[C@H]1[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)O[C@@H]([C@H]1O)n1ccc(=O)[nH]c1=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50985218, &quot;data-inchi_base&quot;: &quot;NMLMACJWHPHKGR-WWMDGMSNSA&quot;, &quot;mols2grid-id&quot;: 683, &quot;data-Ligand_InChI_Key&quot;: &quot;NMLMACJWHPHKGR-WWMDGMSNSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 683, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50985218&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;O[C@H]1[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)O[C@@H]([C@H]1O)n1ccc(=O)[nH]c1=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NMLMACJWHPHKGR-WWMDGMSNSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NMLMACJWHPHKGR-WWMDGMSNSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CN(C)CCOc1cccnc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50596194, &quot;data-inchi_base&quot;: &quot;NNKLMOMWOOXRDH-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 684, &quot;data-Ligand_InChI_Key&quot;: &quot;NNKLMOMWOOXRDH-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 684, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50596194&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CN(C)CCOc1cccnc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NNKLMOMWOOXRDH-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NNKLMOMWOOXRDH-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[C@]12CC[C@H]3[C@@H](C[C@H](CCCc4ccccc4)c4cc(O)ccc34)[C@@H]1CC[C@@H]2O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50448217, &quot;data-inchi_base&quot;: &quot;NNKLMOMWOOXRDH-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 685, &quot;data-Ligand_InChI_Key&quot;: &quot;NNKLMOMWOOXRDH-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 685, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50448217&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[C@]12CC[C@H]3[C@@H](C[C@H](CCCc4ccccc4)c4cc(O)ccc34)[C@@H]1CC[C@@H]2O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NNKLMOMWOOXRDH-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NNKLMOMWOOXRDH-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;NC(=O)c1ncn(C2OC(COP([O-])([O-])=O)C(O)C2O)c1N&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 200761, &quot;data-inchi_base&quot;: &quot;NOTGFIUVDGNKRI-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 686, &quot;data-Ligand_InChI_Key&quot;: &quot;NOTGFIUVDGNKRI-UHFFFAOYSA-L&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 686, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;200761&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NC(=O)c1ncn(C2OC(COP([O-])([O-])=O)C(O)C2O)c1N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NOTGFIUVDGNKRI-UHFFFAOYSA-L&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NOTGFIUVDGNKRI-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;NC(=O)c1ncn(C2OC(COP(O)(O)=O)C(O)C2O)c1N&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 1113099, &quot;data-inchi_base&quot;: &quot;NOTGFIUVDGNKRI-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 687, &quot;data-Ligand_InChI_Key&quot;: &quot;NOTGFIUVDGNKRI-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 687, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;1113099&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NC(=O)c1ncn(C2OC(COP(O)(O)=O)C(O)C2O)c1N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NOTGFIUVDGNKRI-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NOTGFIUVDGNKRI-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC1=C[C@H]2C[C@@H](C1)c1c(C2)[nH+]c2ccccc2c1N&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50840694, &quot;data-inchi_base&quot;: &quot;NQPUWKFWGHITSP-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 688, &quot;data-Ligand_InChI_Key&quot;: &quot;NQPUWKFWGHITSP-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 688, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50840694&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC1=C[C@H]2C[C@@H](C1)c1c(C2)[nH+]c2ccccc2c1N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NQPUWKFWGHITSP-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NQPUWKFWGHITSP-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC1=CC2CC(C1)c1c(C2)nc2ccccc2c1N&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50790409, &quot;data-inchi_base&quot;: &quot;NQPUWKFWGHITSP-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 689, &quot;data-Ligand_InChI_Key&quot;: &quot;NQPUWKFWGHITSP-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 689, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50790409&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC1=CC2CC(C1)c1c(C2)nc2ccccc2c1N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NQPUWKFWGHITSP-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NQPUWKFWGHITSP-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)c1ccc(F)cc1C(F)(F)F&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 252776, &quot;data-inchi_base&quot;: &quot;NRNDRDJBWABBEZ-FWDPORAESA&quot;, &quot;mols2grid-id&quot;: 690, &quot;data-Ligand_InChI_Key&quot;: &quot;NRNDRDJBWABBEZ-FWDPORAESA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 690, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;252776&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)c1ccc(F)cc1C(F)(F)F&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NRNDRDJBWABBEZ-FWDPORAESA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NRNDRDJBWABBEZ-FWDPORAESA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(F)cc1C(F)(F)F&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 20259, &quot;data-inchi_base&quot;: &quot;NRNDRDJBWABBEZ-FWDPORAESA&quot;, &quot;mols2grid-id&quot;: 691, &quot;data-Ligand_InChI_Key&quot;: &quot;NRNDRDJBWABBEZ-FWDPORAESA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 691, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;20259&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(F)cc1C(F)(F)F&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NRNDRDJBWABBEZ-FWDPORAESA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NRNDRDJBWABBEZ-FWDPORAESA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CSCCC([NH3+])CS&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50058965, &quot;data-inchi_base&quot;: &quot;NSPBTQHSHXESOT-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 692, &quot;data-Ligand_InChI_Key&quot;: &quot;NSPBTQHSHXESOT-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 692, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50058965&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CSCCC([NH3+])CS&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NSPBTQHSHXESOT-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NSPBTQHSHXESOT-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CSCCC(N)CS&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51119014, &quot;data-inchi_base&quot;: &quot;NSPBTQHSHXESOT-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 693, &quot;data-Ligand_InChI_Key&quot;: &quot;NSPBTQHSHXESOT-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 693, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51119014&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CSCCC(N)CS&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NSPBTQHSHXESOT-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NSPBTQHSHXESOT-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCNC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@H]2O[C@@H](O[C@@H]12)\\\\C=C\\\\c1ccccc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50854807, &quot;data-inchi_base&quot;: &quot;NXHAXEBZOXCDKD-XIXRRVGJSA&quot;, &quot;mols2grid-id&quot;: 694, &quot;data-Ligand_InChI_Key&quot;: &quot;NXHAXEBZOXCDKD-XIXRRVGJSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 694, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50854807&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCNC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@H]2O[C@@H](O[C@@H]12)\\\\C=C\\\\c1ccccc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NXHAXEBZOXCDKD-XIXRRVGJSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NXHAXEBZOXCDKD-XIXRRVGJSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCNC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])([O-])=O)[C@H]2O[C@@H](O[C@@H]12)\\\\C=C\\\\c1ccccc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50862448, &quot;data-inchi_base&quot;: &quot;NXHAXEBZOXCDKD-XIXRRVGJSA&quot;, &quot;mols2grid-id&quot;: 695, &quot;data-Ligand_InChI_Key&quot;: &quot;NXHAXEBZOXCDKD-XIXRRVGJSA-L&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 695, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50862448&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCNC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])([O-])=O)[C@H]2O[C@@H](O[C@@H]12)\\\\C=C\\\\c1ccccc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NXHAXEBZOXCDKD-XIXRRVGJSA-L&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NXHAXEBZOXCDKD-XIXRRVGJSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(C)(C)Sc1c(CC(C)(C)C([O-])=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50198485, &quot;data-inchi_base&quot;: &quot;NZOONKHCNQFYCI-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 696, &quot;data-Ligand_InChI_Key&quot;: &quot;NZOONKHCNQFYCI-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 696, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50198485&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(C)(C)Sc1c(CC(C)(C)C([O-])=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NZOONKHCNQFYCI-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NZOONKHCNQFYCI-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50044414, &quot;data-inchi_base&quot;: &quot;NZOONKHCNQFYCI-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 697, &quot;data-Ligand_InChI_Key&quot;: &quot;NZOONKHCNQFYCI-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 697, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50044414&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NZOONKHCNQFYCI-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NZOONKHCNQFYCI-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Nc1c(cc(Nc2ccc(F)cc2C(O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50738926, &quot;data-inchi_base&quot;: &quot;OBFSYBSKXOCXQH-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 698, &quot;data-Ligand_InChI_Key&quot;: &quot;OBFSYBSKXOCXQH-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 698, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50738926&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Nc1c(cc(Nc2ccc(F)cc2C(O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OBFSYBSKXOCXQH-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OBFSYBSKXOCXQH-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Nc1c(cc(Nc2ccc(F)cc2C(O)=O)c2C(=O)c3ccccc3C(=O)c12)S(O)(=O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50738847, &quot;data-inchi_base&quot;: &quot;OBFSYBSKXOCXQH-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 699, &quot;data-Ligand_InChI_Key&quot;: &quot;OBFSYBSKXOCXQH-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 699, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50738847&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Nc1c(cc(Nc2ccc(F)cc2C(O)=O)c2C(=O)c3ccccc3C(=O)c12)S(O)(=O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OBFSYBSKXOCXQH-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OBFSYBSKXOCXQH-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCCCNC(=O)C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 202228, &quot;data-inchi_base&quot;: &quot;OBIXFICISBRHCR-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 700, &quot;data-Ligand_InChI_Key&quot;: &quot;OBIXFICISBRHCR-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 700, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;202228&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCCNC(=O)C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OBIXFICISBRHCR-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OBIXFICISBRHCR-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCCCNC(=O)C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 408749, &quot;data-inchi_base&quot;: &quot;OBIXFICISBRHCR-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 701, &quot;data-Ligand_InChI_Key&quot;: &quot;OBIXFICISBRHCR-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 701, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;408749&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCCNC(=O)C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OBIXFICISBRHCR-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OBIXFICISBRHCR-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)CCCc1ccccc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51171901, &quot;data-inchi_base&quot;: &quot;OBKXEAXTFZPCHS-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 702, &quot;data-Ligand_InChI_Key&quot;: &quot;OBKXEAXTFZPCHS-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 702, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51171901&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)CCCc1ccccc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OBKXEAXTFZPCHS-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OBKXEAXTFZPCHS-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[O-]C(=O)CCCc1ccccc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50620025, &quot;data-inchi_base&quot;: &quot;OBKXEAXTFZPCHS-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 703, &quot;data-Ligand_InChI_Key&quot;: &quot;OBKXEAXTFZPCHS-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 703, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50620025&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[O-]C(=O)CCCc1ccccc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OBKXEAXTFZPCHS-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OBKXEAXTFZPCHS-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@]3(C)C[C@H]2C(=O)Nc2nc(Br)ccc2C)c2ccc(cc12)-c1cnc(C)[nH+]c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 1298545, &quot;data-inchi_base&quot;: &quot;OCXAGXCMZACNEC-CTWZREHQSA&quot;, &quot;mols2grid-id&quot;: 704, &quot;data-Ligand_InChI_Key&quot;: &quot;OCXAGXCMZACNEC-CTWZREHQSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 704, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;1298545&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@]3(C)C[C@H]2C(=O)Nc2nc(Br)ccc2C)c2ccc(cc12)-c1cnc(C)[nH+]c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OCXAGXCMZACNEC-CTWZREHQSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OCXAGXCMZACNEC-CTWZREHQSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@]3(C)C[C@H]2C(=O)Nc2nc(Br)ccc2C)c2ccc(cc12)-c1cnc(C)nc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 771524, &quot;data-inchi_base&quot;: &quot;OCXAGXCMZACNEC-CTWZREHQSA&quot;, &quot;mols2grid-id&quot;: 705, &quot;data-Ligand_InChI_Key&quot;: &quot;OCXAGXCMZACNEC-CTWZREHQSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 705, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;771524&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@]3(C)C[C@H]2C(=O)Nc2nc(Br)ccc2C)c2ccc(cc12)-c1cnc(C)nc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OCXAGXCMZACNEC-CTWZREHQSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OCXAGXCMZACNEC-CTWZREHQSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(C(CC([O-])=O)C([O-])=O)C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50507505, &quot;data-inchi_base&quot;: &quot;ODBLHEXUDAPZAU-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 706, &quot;data-Ligand_InChI_Key&quot;: &quot;ODBLHEXUDAPZAU-UHFFFAOYSA-K&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 706, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50507505&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(C(CC([O-])=O)C([O-])=O)C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ODBLHEXUDAPZAU-UHFFFAOYSA-K&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ODBLHEXUDAPZAU-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(C(CC(O)=O)C(O)=O)C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 200641, &quot;data-inchi_base&quot;: &quot;ODBLHEXUDAPZAU-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 707, &quot;data-Ligand_InChI_Key&quot;: &quot;ODBLHEXUDAPZAU-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 707, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;200641&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(C(CC(O)=O)C(O)=O)C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ODBLHEXUDAPZAU-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ODBLHEXUDAPZAU-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC1(C)[C@@H](N2[C@@H]([C@H](CO)C2=O)S1(=O)=O)C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50011498, &quot;data-inchi_base&quot;: &quot;ODGTYAIFNCCEHW-JCGDXUMPSA&quot;, &quot;mols2grid-id&quot;: 708, &quot;data-Ligand_InChI_Key&quot;: &quot;ODGTYAIFNCCEHW-JCGDXUMPSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 708, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50011498&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC1(C)[C@@H](N2[C@@H]([C@H](CO)C2=O)S1(=O)=O)C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ODGTYAIFNCCEHW-JCGDXUMPSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ODGTYAIFNCCEHW-JCGDXUMPSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC1(C)[C@@H](N2[C@@H]([C@H](CO)C2=O)S1(=O)=O)C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 293327, &quot;data-inchi_base&quot;: &quot;ODGTYAIFNCCEHW-JCGDXUMPSA&quot;, &quot;mols2grid-id&quot;: 709, &quot;data-Ligand_InChI_Key&quot;: &quot;ODGTYAIFNCCEHW-JCGDXUMPSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 709, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;293327&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC1(C)[C@@H](N2[C@@H]([C@H](CO)C2=O)S1(=O)=O)C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ODGTYAIFNCCEHW-JCGDXUMPSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ODGTYAIFNCCEHW-JCGDXUMPSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Cc1cn([C@@H]2O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)C=C2)c(=O)[nH]c1=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50813313, &quot;data-inchi_base&quot;: &quot;ODSQODTUNULBHF-JGVFFNPUSA&quot;, &quot;mols2grid-id&quot;: 710, &quot;data-Ligand_InChI_Key&quot;: &quot;ODSQODTUNULBHF-JGVFFNPUSA-J&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 710, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50813313&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cc1cn([C@@H]2O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)C=C2)c(=O)[nH]c1=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ODSQODTUNULBHF-JGVFFNPUSA-J&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ODSQODTUNULBHF-JGVFFNPUSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Cc1cn([C@@H]2O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)C=C2)c(=O)[nH]c1=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50831799, &quot;data-inchi_base&quot;: &quot;ODSQODTUNULBHF-JGVFFNPUSA&quot;, &quot;mols2grid-id&quot;: 711, &quot;data-Ligand_InChI_Key&quot;: &quot;ODSQODTUNULBHF-JGVFFNPUSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 711, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50831799&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cc1cn([C@@H]2O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)C=C2)c(=O)[nH]c1=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ODSQODTUNULBHF-JGVFFNPUSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;ODSQODTUNULBHF-JGVFFNPUSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)CC(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 26789, &quot;data-inchi_base&quot;: &quot;OFOBLEOULBTSOW-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 712, &quot;data-Ligand_InChI_Key&quot;: &quot;OFOBLEOULBTSOW-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 712, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;26789&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)CC(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OFOBLEOULBTSOW-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OFOBLEOULBTSOW-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[O-]C(=O)CC([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 433126, &quot;data-inchi_base&quot;: &quot;OFOBLEOULBTSOW-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 713, &quot;data-Ligand_InChI_Key&quot;: &quot;OFOBLEOULBTSOW-UHFFFAOYSA-L&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 713, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;433126&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[O-]C(=O)CC([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OFOBLEOULBTSOW-UHFFFAOYSA-L&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OFOBLEOULBTSOW-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C([O-])=O)c3ccsc3)C(=O)N2[C@H]1C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50872054, &quot;data-inchi_base&quot;: &quot;OHKOGUYZJXTSFX-KZFFXBSXSA&quot;, &quot;mols2grid-id&quot;: 714, &quot;data-Ligand_InChI_Key&quot;: &quot;OHKOGUYZJXTSFX-KZFFXBSXSA-L&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 714, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50872054&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C([O-])=O)c3ccsc3)C(=O)N2[C@H]1C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OHKOGUYZJXTSFX-KZFFXBSXSA-L&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OHKOGUYZJXTSFX-KZFFXBSXSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(O)=O)c3ccsc3)C(=O)N2[C@H]1C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50375502, &quot;data-inchi_base&quot;: &quot;OHKOGUYZJXTSFX-KZFFXBSXSA&quot;, &quot;mols2grid-id&quot;: 715, &quot;data-Ligand_InChI_Key&quot;: &quot;OHKOGUYZJXTSFX-KZFFXBSXSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 715, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50375502&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(O)=O)c3ccsc3)C(=O)N2[C@H]1C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OHKOGUYZJXTSFX-KZFFXBSXSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OHKOGUYZJXTSFX-KZFFXBSXSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1cc(ccc1N=Nc1ccc2c(cc(c(N)c2c1O)S(O)(=O)=O)S(O)(=O)=O)-c1ccc(N=Nc2ccc3c(cc(c(N)c3c2O)S(O)(=O)=O)S(O)(=O)=O)c(OC)c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50805180, &quot;data-inchi_base&quot;: &quot;OHMJKMNGYYWCHB-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 716, &quot;data-Ligand_InChI_Key&quot;: &quot;OHMJKMNGYYWCHB-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 716, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50805180&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1cc(ccc1N=Nc1ccc2c(cc(c(N)c2c1O)S(O)(=O)=O)S(O)(=O)=O)-c1ccc(N=Nc2ccc3c(cc(c(N)c3c2O)S(O)(=O)=O)S(O)(=O)=O)c(OC)c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OHMJKMNGYYWCHB-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OHMJKMNGYYWCHB-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1cc(ccc1N=Nc1ccc2c(cc(c(N)c2c1O)S([O-])(=O)=O)S([O-])(=O)=O)-c1ccc(N=Nc2ccc3c(cc(c(N)c3c2O)S([O-])(=O)=O)S([O-])(=O)=O)c(OC)c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 222091, &quot;data-inchi_base&quot;: &quot;OHMJKMNGYYWCHB-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 717, &quot;data-Ligand_InChI_Key&quot;: &quot;OHMJKMNGYYWCHB-UHFFFAOYSA-J&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 717, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;222091&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1cc(ccc1N=Nc1ccc2c(cc(c(N)c2c1O)S([O-])(=O)=O)S([O-])(=O)=O)-c1ccc(N=Nc2ccc3c(cc(c(N)c3c2O)S([O-])(=O)=O)S([O-])(=O)=O)c(OC)c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OHMJKMNGYYWCHB-UHFFFAOYSA-J&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OHMJKMNGYYWCHB-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Oc1ccc(cc1S(O)(=O)=O)C1(OC(=O)c2c1c(Br)c(Br)c(Br)c2Br)c1ccc(O)c(c1)S(O)(=O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50534584, &quot;data-inchi_base&quot;: &quot;OHTXTCNTQJFRIG-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 718, &quot;data-Ligand_InChI_Key&quot;: &quot;OHTXTCNTQJFRIG-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 718, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50534584&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Oc1ccc(cc1S(O)(=O)=O)C1(OC(=O)c2c1c(Br)c(Br)c(Br)c2Br)c1ccc(O)c(c1)S(O)(=O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OHTXTCNTQJFRIG-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OHTXTCNTQJFRIG-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Oc1ccc(cc1S([O-])(=O)=O)C1(OC(=O)c2c1c(Br)c(Br)c(Br)c2Br)c1ccc(O)c(c1)S([O-])(=O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 377184, &quot;data-inchi_base&quot;: &quot;OHTXTCNTQJFRIG-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 719, &quot;data-Ligand_InChI_Key&quot;: &quot;OHTXTCNTQJFRIG-UHFFFAOYSA-L&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 719, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;377184&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Oc1ccc(cc1S([O-])(=O)=O)C1(OC(=O)c2c1c(Br)c(Br)c(Br)c2Br)c1ccc(O)c(c1)S([O-])(=O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OHTXTCNTQJFRIG-UHFFFAOYSA-L&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OHTXTCNTQJFRIG-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[C@@]12CCC(=O)c3coc(c13)C(=O)c1cc3c(O)ccc(OS(O)(=O)=O)c3cc21&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50589736, &quot;data-inchi_base&quot;: &quot;OIBVHMHPAKLZEG-FQEVSTJZSA&quot;, &quot;mols2grid-id&quot;: 720, &quot;data-Ligand_InChI_Key&quot;: &quot;OIBVHMHPAKLZEG-FQEVSTJZSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 720, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50589736&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[C@@]12CCC(=O)c3coc(c13)C(=O)c1cc3c(O)ccc(OS(O)(=O)=O)c3cc21&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OIBVHMHPAKLZEG-FQEVSTJZSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OIBVHMHPAKLZEG-FQEVSTJZSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[C@@]12CCC(=O)c3coc(c13)C(=O)c1cc3c(O)ccc(OS([O-])(=O)=O)c3cc21&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50870715, &quot;data-inchi_base&quot;: &quot;OIBVHMHPAKLZEG-FQEVSTJZSA&quot;, &quot;mols2grid-id&quot;: 721, &quot;data-Ligand_InChI_Key&quot;: &quot;OIBVHMHPAKLZEG-FQEVSTJZSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 721, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50870715&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[C@@]12CCC(=O)c3coc(c13)C(=O)c1cc3c(O)ccc(OS([O-])(=O)=O)c3cc21&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OIBVHMHPAKLZEG-FQEVSTJZSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OIBVHMHPAKLZEG-FQEVSTJZSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50017332, &quot;data-inchi_base&quot;: &quot;OIFWQOKDSPDILA-XLPZGREQSA&quot;, &quot;mols2grid-id&quot;: 722, &quot;data-Ligand_InChI_Key&quot;: &quot;OIFWQOKDSPDILA-XLPZGREQSA-L&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 722, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50017332&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OIFWQOKDSPDILA-XLPZGREQSA-L&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OIFWQOKDSPDILA-XLPZGREQSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP(O)(O)=O)O2)c(=O)[nH]c1=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51168014, &quot;data-inchi_base&quot;: &quot;OIFWQOKDSPDILA-XLPZGREQSA&quot;, &quot;mols2grid-id&quot;: 723, &quot;data-Ligand_InChI_Key&quot;: &quot;OIFWQOKDSPDILA-XLPZGREQSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 723, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51168014&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP(O)(O)=O)O2)c(=O)[nH]c1=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OIFWQOKDSPDILA-XLPZGREQSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OIFWQOKDSPDILA-XLPZGREQSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OP(O)(=O)CCNC(=O)CP(O)(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51147425, &quot;data-inchi_base&quot;: &quot;OJBJNCCAOSAGFV-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 724, &quot;data-Ligand_InChI_Key&quot;: &quot;OJBJNCCAOSAGFV-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 724, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51147425&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OP(O)(=O)CCNC(=O)CP(O)(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OJBJNCCAOSAGFV-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OJBJNCCAOSAGFV-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[O-]P([O-])(=O)CCNC(=O)CP([O-])([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50787522, &quot;data-inchi_base&quot;: &quot;OJBJNCCAOSAGFV-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 725, &quot;data-Ligand_InChI_Key&quot;: &quot;OJBJNCCAOSAGFV-UHFFFAOYSA-J&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 725, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50787522&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[O-]P([O-])(=O)CCNC(=O)CP([O-])([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OJBJNCCAOSAGFV-UHFFFAOYSA-J&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OJBJNCCAOSAGFV-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[C@H](NC(=O)[C@@H](CC(=O)NO)Cc1ccccc1)C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50004441, &quot;data-inchi_base&quot;: &quot;OJCFZTVYDSKXNM-GXSJLCMTSA&quot;, &quot;mols2grid-id&quot;: 726, &quot;data-Ligand_InChI_Key&quot;: &quot;OJCFZTVYDSKXNM-GXSJLCMTSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 726, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50004441&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[C@H](NC(=O)[C@@H](CC(=O)NO)Cc1ccccc1)C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OJCFZTVYDSKXNM-GXSJLCMTSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OJCFZTVYDSKXNM-GXSJLCMTSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[C@H](NC(=O)[C@@H](CC(=O)NO)Cc1ccccc1)C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 200646, &quot;data-inchi_base&quot;: &quot;OJCFZTVYDSKXNM-GXSJLCMTSA&quot;, &quot;mols2grid-id&quot;: 727, &quot;data-Ligand_InChI_Key&quot;: &quot;OJCFZTVYDSKXNM-GXSJLCMTSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 727, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;200646&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[C@H](NC(=O)[C@@H](CC(=O)NO)Cc1ccccc1)C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OJCFZTVYDSKXNM-GXSJLCMTSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OJCFZTVYDSKXNM-GXSJLCMTSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[Na+].Cc1oc2c(c1C(=O)Oc1cccc(c1)-c1cn(CCC([O-])=O)nn1)C(=O)c1ncccc1C2=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51100447, &quot;data-inchi_base&quot;: &quot;OKDKTUSDLRISGU-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 728, &quot;data-Ligand_InChI_Key&quot;: &quot;OKDKTUSDLRISGU-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 728, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51100447&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[Na+].Cc1oc2c(c1C(=O)Oc1cccc(c1)-c1cn(CCC([O-])=O)nn1)C(=O)c1ncccc1C2=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OKDKTUSDLRISGU-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OKDKTUSDLRISGU-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Cc1oc2c(c1C(=O)Oc1cccc(c1)-c1cn(CCC(O)=O)nn1)C(=O)c1ncccc1C2=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51100420, &quot;data-inchi_base&quot;: &quot;OKDKTUSDLRISGU-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 729, &quot;data-Ligand_InChI_Key&quot;: &quot;OKDKTUSDLRISGU-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 729, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51100420&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cc1oc2c(c1C(=O)Oc1cccc(c1)-c1cn(CCC(O)=O)nn1)C(=O)c1ncccc1C2=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OKDKTUSDLRISGU-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OKDKTUSDLRISGU-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCCC[P+](CCCC)(CCCC)Cc1ccc(NC(=O)[C@H](Cc2ccccc2)N\\\\C(NC2CCCCC2)=[NH+]\\\\C2CCCCC2)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50764987, &quot;data-inchi_base&quot;: &quot;OKLXWCKOUJEYFU-KDXMTYKHSA&quot;, &quot;mols2grid-id&quot;: 730, &quot;data-Ligand_InChI_Key&quot;: &quot;OKLXWCKOUJEYFU-KDXMTYKHSA-P&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 730, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50764987&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCC[P+](CCCC)(CCCC)Cc1ccc(NC(=O)[C@H](Cc2ccccc2)N\\\\C(NC2CCCCC2)=[NH+]\\\\C2CCCCC2)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OKLXWCKOUJEYFU-KDXMTYKHSA-P&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OKLXWCKOUJEYFU-KDXMTYKHSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCCC[P+](CCCC)(CCCC)Cc1ccc(NC(=O)[C@H](Cc2ccccc2)N=C(NC2CCCCC2)NC2CCCCC2)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50725015, &quot;data-inchi_base&quot;: &quot;OKLXWCKOUJEYFU-KDXMTYKHSA&quot;, &quot;mols2grid-id&quot;: 731, &quot;data-Ligand_InChI_Key&quot;: &quot;OKLXWCKOUJEYFU-KDXMTYKHSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 731, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50725015&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCC[P+](CCCC)(CCCC)Cc1ccc(NC(=O)[C@H](Cc2ccccc2)N=C(NC2CCCCC2)NC2CCCCC2)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OKLXWCKOUJEYFU-KDXMTYKHSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OKLXWCKOUJEYFU-KDXMTYKHSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Cn1nnnc1SCC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](O)c1ccccc1)C2=O)C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50829066, &quot;data-inchi_base&quot;: &quot;OLVCFLKTBJRLHI-AXAPSJFSSA&quot;, &quot;mols2grid-id&quot;: 732, &quot;data-Ligand_InChI_Key&quot;: &quot;OLVCFLKTBJRLHI-AXAPSJFSSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 732, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50829066&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cn1nnnc1SCC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](O)c1ccccc1)C2=O)C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OLVCFLKTBJRLHI-AXAPSJFSSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OLVCFLKTBJRLHI-AXAPSJFSSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Cn1nnnc1SCC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](O)c1ccccc1)C2=O)C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 100896, &quot;data-inchi_base&quot;: &quot;OLVCFLKTBJRLHI-AXAPSJFSSA&quot;, &quot;mols2grid-id&quot;: 733, &quot;data-Ligand_InChI_Key&quot;: &quot;OLVCFLKTBJRLHI-AXAPSJFSSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 733, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;100896&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cn1nnnc1SCC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](O)c1ccccc1)C2=O)C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OLVCFLKTBJRLHI-AXAPSJFSSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OLVCFLKTBJRLHI-AXAPSJFSSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Cc1cc(Cl)cnc1C(=O)Nc1cc(ccn1)C1(CF)COCC(N)=N1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 531841, &quot;data-inchi_base&quot;: &quot;OLVSRIFVQCSRTD-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 734, &quot;data-Ligand_InChI_Key&quot;: &quot;OLVSRIFVQCSRTD-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 734, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;531841&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cc1cc(Cl)cnc1C(=O)Nc1cc(ccn1)C1(CF)COCC(N)=N1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OLVSRIFVQCSRTD-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OLVSRIFVQCSRTD-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Cc1cc(Cl)cnc1C(=O)Nc1cc(ccn1)C1(CF)COCC([NH3+])=N1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 911640, &quot;data-inchi_base&quot;: &quot;OLVSRIFVQCSRTD-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 735, &quot;data-Ligand_InChI_Key&quot;: &quot;OLVSRIFVQCSRTD-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 735, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;911640&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cc1cc(Cl)cnc1C(=O)Nc1cc(ccn1)C1(CF)COCC([NH3+])=N1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OLVSRIFVQCSRTD-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OLVSRIFVQCSRTD-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)N(C)Cc1cccc(F)c1)-c1ccc(F)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 32904, &quot;data-inchi_base&quot;: &quot;OQAJLGZZINRLJK-DHIUTWEWSA&quot;, &quot;mols2grid-id&quot;: 736, &quot;data-Ligand_InChI_Key&quot;: &quot;OQAJLGZZINRLJK-DHIUTWEWSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 736, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;32904&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)N(C)Cc1cccc(F)c1)-c1ccc(F)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OQAJLGZZINRLJK-DHIUTWEWSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OQAJLGZZINRLJK-DHIUTWEWSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)N(C)Cc1cccc(F)c1)-c1ccc(F)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 37453, &quot;data-inchi_base&quot;: &quot;OQAJLGZZINRLJK-DHIUTWEWSA&quot;, &quot;mols2grid-id&quot;: 737, &quot;data-Ligand_InChI_Key&quot;: &quot;OQAJLGZZINRLJK-DHIUTWEWSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 737, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;37453&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)N(C)Cc1cccc(F)c1)-c1ccc(F)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OQAJLGZZINRLJK-DHIUTWEWSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OQAJLGZZINRLJK-DHIUTWEWSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OP(O)(=O)C(F)(F)c1cccc(c1)-c1ccccc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51268255, &quot;data-inchi_base&quot;: &quot;OSEBCICKOAXUEA-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 738, &quot;data-Ligand_InChI_Key&quot;: &quot;OSEBCICKOAXUEA-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 738, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51268255&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OP(O)(=O)C(F)(F)c1cccc(c1)-c1ccccc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OSEBCICKOAXUEA-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OSEBCICKOAXUEA-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[O-]P([O-])(=O)C(F)(F)c1cccc(c1)-c1ccccc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50737073, &quot;data-inchi_base&quot;: &quot;OSEBCICKOAXUEA-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 739, &quot;data-Ligand_InChI_Key&quot;: &quot;OSEBCICKOAXUEA-UHFFFAOYSA-L&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 739, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50737073&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[O-]P([O-])(=O)C(F)(F)c1cccc(c1)-c1ccccc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OSEBCICKOAXUEA-UHFFFAOYSA-L&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OSEBCICKOAXUEA-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;O[C@H](COP(O)(O)=O)C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50573493, &quot;data-inchi_base&quot;: &quot;OSJPPGNTCRNQQC-UWTATZPHSA&quot;, &quot;mols2grid-id&quot;: 740, &quot;data-Ligand_InChI_Key&quot;: &quot;OSJPPGNTCRNQQC-UWTATZPHSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 740, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50573493&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;O[C@H](COP(O)(O)=O)C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OSJPPGNTCRNQQC-UWTATZPHSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OSJPPGNTCRNQQC-UWTATZPHSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;O[C@H](COP([O-])([O-])=O)C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50787528, &quot;data-inchi_base&quot;: &quot;OSJPPGNTCRNQQC-UWTATZPHSA&quot;, &quot;mols2grid-id&quot;: 741, &quot;data-Ligand_InChI_Key&quot;: &quot;OSJPPGNTCRNQQC-UWTATZPHSA-K&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 741, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50787528&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;O[C@H](COP([O-])([O-])=O)C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OSJPPGNTCRNQQC-UWTATZPHSA-K&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OSJPPGNTCRNQQC-UWTATZPHSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[O-]C(=O)c1ccc(cc1)[N+]([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50630289, &quot;data-inchi_base&quot;: &quot;OTLNPYWUJOZPPA-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 742, &quot;data-Ligand_InChI_Key&quot;: &quot;OTLNPYWUJOZPPA-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 742, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50630289&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[O-]C(=O)c1ccc(cc1)[N+]([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OTLNPYWUJOZPPA-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OTLNPYWUJOZPPA-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)c1ccc(cc1)[N+]([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 417581, &quot;data-inchi_base&quot;: &quot;OTLNPYWUJOZPPA-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 743, &quot;data-Ligand_InChI_Key&quot;: &quot;OTLNPYWUJOZPPA-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 743, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;417581&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)c1ccc(cc1)[N+]([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OTLNPYWUJOZPPA-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OTLNPYWUJOZPPA-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCCCCCCCCCCCCC(=O)Nc1ccc(CP(O)(O)=O)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50169530, &quot;data-inchi_base&quot;: &quot;OUXAHVRWFHOKHY-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 744, &quot;data-Ligand_InChI_Key&quot;: &quot;OUXAHVRWFHOKHY-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 744, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50169530&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCCCCCCCCCCCC(=O)Nc1ccc(CP(O)(O)=O)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OUXAHVRWFHOKHY-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OUXAHVRWFHOKHY-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCCCCCCCCCCCCC(=O)Nc1ccc(CP(O)([O-])=O)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50654981, &quot;data-inchi_base&quot;: &quot;OUXAHVRWFHOKHY-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 745, &quot;data-Ligand_InChI_Key&quot;: &quot;OUXAHVRWFHOKHY-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 745, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50654981&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCCCCCCCCCCCC(=O)Nc1ccc(CP(O)([O-])=O)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OUXAHVRWFHOKHY-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OUXAHVRWFHOKHY-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[C@H]1C[C@H]2C[C@@H](C1)C[C@@H](C2)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(C([O-])=O)c1=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 330180, &quot;data-inchi_base&quot;: &quot;OWAGGONYNCKXDC-PCXLCNFCSA&quot;, &quot;mols2grid-id&quot;: 746, &quot;data-Ligand_InChI_Key&quot;: &quot;OWAGGONYNCKXDC-PCXLCNFCSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 746, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;330180&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[C@H]1C[C@H]2C[C@@H](C1)C[C@@H](C2)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(C([O-])=O)c1=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OWAGGONYNCKXDC-PCXLCNFCSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OWAGGONYNCKXDC-PCXLCNFCSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[C@H]1C[C@H]2C[C@@H](C1)C[C@@H](C2)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(C(O)=O)c1=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 213530, &quot;data-inchi_base&quot;: &quot;OWAGGONYNCKXDC-PCXLCNFCSA&quot;, &quot;mols2grid-id&quot;: 747, &quot;data-Ligand_InChI_Key&quot;: &quot;OWAGGONYNCKXDC-PCXLCNFCSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 747, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;213530&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[C@H]1C[C@H]2C[C@@H](C1)C[C@@H](C2)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(C(O)=O)c1=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OWAGGONYNCKXDC-PCXLCNFCSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OWAGGONYNCKXDC-PCXLCNFCSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Nc1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCCCCCn3cc(CCCC(=O)Nc4nc5ccc(Cl)cc5c5nc(nn45)-c4ccco4)nn3)c3ccc(=[NH2+])c(c3oc2c1S([O-])(=O)=O)S([O-])(=O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 362986, &quot;data-inchi_base&quot;: &quot;OWAPJDQJQMNRHK-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 748, &quot;data-Ligand_InChI_Key&quot;: &quot;OWAPJDQJQMNRHK-UHFFFAOYSA-L&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 748, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;362986&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Nc1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCCCCCn3cc(CCCC(=O)Nc4nc5ccc(Cl)cc5c5nc(nn45)-c4ccco4)nn3)c3ccc(=[NH2+])c(c3oc2c1S([O-])(=O)=O)S([O-])(=O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OWAPJDQJQMNRHK-UHFFFAOYSA-L&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OWAPJDQJQMNRHK-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Nc1ccc2c(-c3ccc(cc3C(O)=O)C(=O)NCCCCCCn3cc(CCCC(=O)Nc4nc5ccc(Cl)cc5c5nc(nn45)-c4ccco4)nn3)c3ccc(=N)c(c3oc2c1S(O)(=O)=O)S(O)(=O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51114899, &quot;data-inchi_base&quot;: &quot;OWAPJDQJQMNRHK-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 749, &quot;data-Ligand_InChI_Key&quot;: &quot;OWAPJDQJQMNRHK-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 749, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51114899&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Nc1ccc2c(-c3ccc(cc3C(O)=O)C(=O)NCCCCCCn3cc(CCCC(=O)Nc4nc5ccc(Cl)cc5c5nc(nn45)-c4ccco4)nn3)c3ccc(=N)c(c3oc2c1S(O)(=O)=O)S(O)(=O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OWAPJDQJQMNRHK-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OWAPJDQJQMNRHK-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCCCC\\\\C=C/C\\\\C=C/CCCCCCCC(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 399808, &quot;data-inchi_base&quot;: &quot;OYHQOLUKZRVURQ-HZJYTTRNSA&quot;, &quot;mols2grid-id&quot;: 750, &quot;data-Ligand_InChI_Key&quot;: &quot;OYHQOLUKZRVURQ-HZJYTTRNSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 750, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;399808&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCCC\\\\C=C/C\\\\C=C/CCCCCCCC(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OYHQOLUKZRVURQ-HZJYTTRNSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OYHQOLUKZRVURQ-HZJYTTRNSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCCCC\\\\C=C/C\\\\C=C/CCCCCCCC([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50339568, &quot;data-inchi_base&quot;: &quot;OYHQOLUKZRVURQ-HZJYTTRNSA&quot;, &quot;mols2grid-id&quot;: 751, &quot;data-Ligand_InChI_Key&quot;: &quot;OYHQOLUKZRVURQ-HZJYTTRNSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 751, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50339568&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCCC\\\\C=C/C\\\\C=C/CCCCCCCC([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OYHQOLUKZRVURQ-HZJYTTRNSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OYHQOLUKZRVURQ-HZJYTTRNSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Clc1cccc2CN(Cc12)[NH+]=C1NCCN1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50873074, &quot;data-inchi_base&quot;: &quot;OYLPBTPLAUXYTB-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 752, &quot;data-Ligand_InChI_Key&quot;: &quot;OYLPBTPLAUXYTB-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 752, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50873074&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Clc1cccc2CN(Cc12)[NH+]=C1NCCN1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OYLPBTPLAUXYTB-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OYLPBTPLAUXYTB-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Clc1cccc2CN(Cc12)N=C1NCCN1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 155526, &quot;data-inchi_base&quot;: &quot;OYLPBTPLAUXYTB-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 753, &quot;data-Ligand_InChI_Key&quot;: &quot;OYLPBTPLAUXYTB-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 753, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;155526&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Clc1cccc2CN(Cc12)N=C1NCCN1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OYLPBTPLAUXYTB-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OYLPBTPLAUXYTB-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[O-][N+](=O)c1ccc(cc1)-c1ccc(\\\\C=N\\\\N2CC(=O)NC2=O)o1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50524458, &quot;data-inchi_base&quot;: &quot;OZOMQRBLCMDCEG-VIZOYTHASA&quot;, &quot;mols2grid-id&quot;: 754, &quot;data-Ligand_InChI_Key&quot;: &quot;OZOMQRBLCMDCEG-VIZOYTHASA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 754, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50524458&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[O-][N+](=O)c1ccc(cc1)-c1ccc(\\\\C=N\\\\N2CC(=O)NC2=O)o1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OZOMQRBLCMDCEG-VIZOYTHASA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OZOMQRBLCMDCEG-VIZOYTHASA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[O-]C1=NC(=O)CN1\\\\N=C\\\\c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 356343, &quot;data-inchi_base&quot;: &quot;OZOMQRBLCMDCEG-VIZOYTHASA&quot;, &quot;mols2grid-id&quot;: 755, &quot;data-Ligand_InChI_Key&quot;: &quot;OZOMQRBLCMDCEG-VIZOYTHASA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 755, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;356343&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[O-]C1=NC(=O)CN1\\\\N=C\\\\c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OZOMQRBLCMDCEG-VIZOYTHASA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OZOMQRBLCMDCEG-VIZOYTHASA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCCCCCCCc1cc[n+](CC(P(O)(O)=O)P(O)([O-])=O)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 45905, &quot;data-inchi_base&quot;: &quot;PACFVAFKZHUPEN-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 756, &quot;data-Ligand_InChI_Key&quot;: &quot;PACFVAFKZHUPEN-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 756, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;45905&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCCCCCCc1cc[n+](CC(P(O)(O)=O)P(O)([O-])=O)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PACFVAFKZHUPEN-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PACFVAFKZHUPEN-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCCCCCCCc1cc[n+](CC(P(O)(O)=O)P(O)(O)=O)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 294420, &quot;data-inchi_base&quot;: &quot;PACFVAFKZHUPEN-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 757, &quot;data-Ligand_InChI_Key&quot;: &quot;PACFVAFKZHUPEN-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 757, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;294420&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCCCCCCc1cc[n+](CC(P(O)(O)=O)P(O)(O)=O)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PACFVAFKZHUPEN-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PACFVAFKZHUPEN-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CSCCNc1nc(SCCC(F)(F)F)nc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)C(Cl)(Cl)P([O-])([O-])=O)[C@@H](O)[C@H]1O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50576204, &quot;data-inchi_base&quot;: &quot;PAEBIVWUMLRPSK-IDTAVKCVSA&quot;, &quot;mols2grid-id&quot;: 758, &quot;data-Ligand_InChI_Key&quot;: &quot;PAEBIVWUMLRPSK-IDTAVKCVSA-J&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 758, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50576204&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CSCCNc1nc(SCCC(F)(F)F)nc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)C(Cl)(Cl)P([O-])([O-])=O)[C@@H](O)[C@H]1O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PAEBIVWUMLRPSK-IDTAVKCVSA-J&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PAEBIVWUMLRPSK-IDTAVKCVSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CSCCNc1nc(SCCC(F)(F)F)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O)[C@@H](O)[C@H]1O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 708520, &quot;data-inchi_base&quot;: &quot;PAEBIVWUMLRPSK-IDTAVKCVSA&quot;, &quot;mols2grid-id&quot;: 759, &quot;data-Ligand_InChI_Key&quot;: &quot;PAEBIVWUMLRPSK-IDTAVKCVSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 759, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;708520&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CSCCNc1nc(SCCC(F)(F)F)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O)[C@@H](O)[C@H]1O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PAEBIVWUMLRPSK-IDTAVKCVSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PAEBIVWUMLRPSK-IDTAVKCVSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Oc1cc(cc2cc(NC(=O)Nc3ccc4c(O)cc(cc4c3)S([O-])(=O)=O)ccc12)S([O-])(=O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50316453, &quot;data-inchi_base&quot;: &quot;PCGISRHGYLRXSR-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 760, &quot;data-Ligand_InChI_Key&quot;: &quot;PCGISRHGYLRXSR-UHFFFAOYSA-L&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 760, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50316453&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Oc1cc(cc2cc(NC(=O)Nc3ccc4c(O)cc(cc4c3)S([O-])(=O)=O)ccc12)S([O-])(=O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PCGISRHGYLRXSR-UHFFFAOYSA-L&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PCGISRHGYLRXSR-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Oc1cc(cc2cc(NC(=O)Nc3ccc4c(O)cc(cc4c3)S(O)(=O)=O)ccc12)S(O)(=O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50168336, &quot;data-inchi_base&quot;: &quot;PCGISRHGYLRXSR-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 761, &quot;data-Ligand_InChI_Key&quot;: &quot;PCGISRHGYLRXSR-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 761, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50168336&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Oc1cc(cc2cc(NC(=O)Nc3ccc4c(O)cc(cc4c3)S(O)(=O)=O)ccc12)S(O)(=O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PCGISRHGYLRXSR-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PCGISRHGYLRXSR-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(O)(=O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50256824, &quot;data-inchi_base&quot;: &quot;PCKXZNBJTANMBU-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 762, &quot;data-Ligand_InChI_Key&quot;: &quot;PCKXZNBJTANMBU-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 762, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50256824&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(O)(=O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PCKXZNBJTANMBU-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PCKXZNBJTANMBU-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S([O-])(=O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50201232, &quot;data-inchi_base&quot;: &quot;PCKXZNBJTANMBU-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 763, &quot;data-Ligand_InChI_Key&quot;: &quot;PCKXZNBJTANMBU-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 763, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50201232&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S([O-])(=O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PCKXZNBJTANMBU-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PCKXZNBJTANMBU-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1cc(Nc2ncc(-c3nc(cs3)-c3ccccc3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)[nH+]2)ccn1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 580225, &quot;data-inchi_base&quot;: &quot;PDDZZYSIFXNXNB-SPRUFDBQSA&quot;, &quot;mols2grid-id&quot;: 764, &quot;data-Ligand_InChI_Key&quot;: &quot;PDDZZYSIFXNXNB-SPRUFDBQSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 764, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;580225&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1cc(Nc2ncc(-c3nc(cs3)-c3ccccc3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)[nH+]2)ccn1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PDDZZYSIFXNXNB-SPRUFDBQSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PDDZZYSIFXNXNB-SPRUFDBQSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1cc(Nc2ncc(-c3nc(cs3)-c3ccccc3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)ccn1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50386041, &quot;data-inchi_base&quot;: &quot;PDDZZYSIFXNXNB-SPRUFDBQSA&quot;, &quot;mols2grid-id&quot;: 765, &quot;data-Ligand_InChI_Key&quot;: &quot;PDDZZYSIFXNXNB-SPRUFDBQSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 765, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50386041&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1cc(Nc2ncc(-c3nc(cs3)-c3ccccc3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)ccn1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PDDZZYSIFXNXNB-SPRUFDBQSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PDDZZYSIFXNXNB-SPRUFDBQSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OCCCC1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(C4CC5CCC4C5)c3n2)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 10151, &quot;data-inchi_base&quot;: &quot;PETCVZZPKYJZAU-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 766, &quot;data-Ligand_InChI_Key&quot;: &quot;PETCVZZPKYJZAU-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 766, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;10151&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OCCCC1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(C4CC5CCC4C5)c3n2)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PETCVZZPKYJZAU-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PETCVZZPKYJZAU-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OCCCC1CC[NH+](CC1)c1ccc(Nc2ncc3ccc(=O)n(C4CC5CCC4C5)c3n2)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 111005, &quot;data-inchi_base&quot;: &quot;PETCVZZPKYJZAU-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 767, &quot;data-Ligand_InChI_Key&quot;: &quot;PETCVZZPKYJZAU-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 767, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;111005&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OCCCC1CC[NH+](CC1)c1ccc(Nc2ncc3ccc(=O)n(C4CC5CCC4C5)c3n2)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PETCVZZPKYJZAU-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PETCVZZPKYJZAU-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Cc1c(nc2ccc(F)cc2c1C([O-])=O)-c1ccc(cc1)-c1ccccc1F&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 1001134, &quot;data-inchi_base&quot;: &quot;PHEZJEYUWHETKO-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 768, &quot;data-Ligand_InChI_Key&quot;: &quot;PHEZJEYUWHETKO-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 768, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;1001134&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cc1c(nc2ccc(F)cc2c1C([O-])=O)-c1ccc(cc1)-c1ccccc1F&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PHEZJEYUWHETKO-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PHEZJEYUWHETKO-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 28075, &quot;data-inchi_base&quot;: &quot;PHEZJEYUWHETKO-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 769, &quot;data-Ligand_InChI_Key&quot;: &quot;PHEZJEYUWHETKO-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 769, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;28075&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PHEZJEYUWHETKO-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PHEZJEYUWHETKO-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)C1=CS[C@H]2N1C(=O)\\\\C2=C\\\\c1cc2CSCn2n1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51183486, &quot;data-inchi_base&quot;: &quot;PIQJFYXOGLAPEL-GPWUBDCCSA&quot;, &quot;mols2grid-id&quot;: 770, &quot;data-Ligand_InChI_Key&quot;: &quot;PIQJFYXOGLAPEL-GPWUBDCCSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 770, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51183486&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)C1=CS[C@H]2N1C(=O)\\\\C2=C\\\\c1cc2CSCn2n1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PIQJFYXOGLAPEL-GPWUBDCCSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PIQJFYXOGLAPEL-GPWUBDCCSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[O-]C(=O)C1=CS[C@H]2N1C(=O)\\\\C2=C\\\\c1cc2CSCn2n1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 397439, &quot;data-inchi_base&quot;: &quot;PIQJFYXOGLAPEL-GPWUBDCCSA&quot;, &quot;mols2grid-id&quot;: 771, &quot;data-Ligand_InChI_Key&quot;: &quot;PIQJFYXOGLAPEL-GPWUBDCCSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 771, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;397439&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[O-]C(=O)C1=CS[C@H]2N1C(=O)\\\\C2=C\\\\c1cc2CSCn2n1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PIQJFYXOGLAPEL-GPWUBDCCSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PIQJFYXOGLAPEL-GPWUBDCCSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;O[C@@H]1C=C(C[C@@H](OC(=C)C(O)=O)[C@@H]1O)C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50465686, &quot;data-inchi_base&quot;: &quot;PIUBYZZPBXJIFU-BWZBUEFSSA&quot;, &quot;mols2grid-id&quot;: 772, &quot;data-Ligand_InChI_Key&quot;: &quot;PIUBYZZPBXJIFU-BWZBUEFSSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 772, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50465686&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;O[C@@H]1C=C(C[C@@H](OC(=C)C(O)=O)[C@@H]1O)C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PIUBYZZPBXJIFU-BWZBUEFSSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PIUBYZZPBXJIFU-BWZBUEFSSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;O[C@@H]1C=C(C[C@@H](OC(=C)C([O-])=O)[C@@H]1O)C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50466958, &quot;data-inchi_base&quot;: &quot;PIUBYZZPBXJIFU-BWZBUEFSSA&quot;, &quot;mols2grid-id&quot;: 773, &quot;data-Ligand_InChI_Key&quot;: &quot;PIUBYZZPBXJIFU-BWZBUEFSSA-L&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 773, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50466958&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;O[C@@H]1C=C(C[C@@H](OC(=C)C([O-])=O)[C@@H]1O)C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PIUBYZZPBXJIFU-BWZBUEFSSA-L&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PIUBYZZPBXJIFU-BWZBUEFSSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Cc1ccccc1\\\\N=N\\\\c1cc(c2ccccc2c1N)S(O)(=O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 221829, &quot;data-inchi_base&quot;: &quot;PIWJSAOBFMHEAW-FMQUCBEESA&quot;, &quot;mols2grid-id&quot;: 774, &quot;data-Ligand_InChI_Key&quot;: &quot;PIWJSAOBFMHEAW-FMQUCBEESA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 774, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;221829&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cc1ccccc1\\\\N=N\\\\c1cc(c2ccccc2c1N)S(O)(=O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PIWJSAOBFMHEAW-FMQUCBEESA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PIWJSAOBFMHEAW-FMQUCBEESA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Cc1ccccc1\\\\N=N\\\\c1cc(c2ccccc2c1N)S([O-])(=O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 689615, &quot;data-inchi_base&quot;: &quot;PIWJSAOBFMHEAW-FMQUCBEESA&quot;, &quot;mols2grid-id&quot;: 775, &quot;data-Ligand_InChI_Key&quot;: &quot;PIWJSAOBFMHEAW-FMQUCBEESA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 775, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;689615&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cc1ccccc1\\\\N=N\\\\c1cc(c2ccccc2c1N)S([O-])(=O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PIWJSAOBFMHEAW-FMQUCBEESA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PIWJSAOBFMHEAW-FMQUCBEESA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(C)C[C@H](NC(=O)OC1(Cc2ccccc2)CCN(CC1)C(=O)OC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S([O-])(=O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 868802, &quot;data-inchi_base&quot;: &quot;PJEUBFINPIVQHS-DKJNXQLESA&quot;, &quot;mols2grid-id&quot;: 776, &quot;data-Ligand_InChI_Key&quot;: &quot;PJEUBFINPIVQHS-DKJNXQLESA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 776, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;868802&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(C)C[C@H](NC(=O)OC1(Cc2ccccc2)CCN(CC1)C(=O)OC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S([O-])(=O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PJEUBFINPIVQHS-DKJNXQLESA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PJEUBFINPIVQHS-DKJNXQLESA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(C)C[C@H](NC(=O)OC1(Cc2ccccc2)CCN(CC1)C(=O)OC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(O)(=O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 1034005, &quot;data-inchi_base&quot;: &quot;PJEUBFINPIVQHS-DKJNXQLESA&quot;, &quot;mols2grid-id&quot;: 777, &quot;data-Ligand_InChI_Key&quot;: &quot;PJEUBFINPIVQHS-DKJNXQLESA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 777, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;1034005&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(C)C[C@H](NC(=O)OC1(Cc2ccccc2)CCN(CC1)C(=O)OC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(O)(=O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PJEUBFINPIVQHS-DKJNXQLESA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PJEUBFINPIVQHS-DKJNXQLESA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Cc1cc(Nc2cc(ccn2)C(F)F)nc(c1)-c1ccc(nc1)C(C)(O)[C@H]1CC[C@@H](CC1)C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 329320, &quot;data-inchi_base&quot;: &quot;PJSKJVHTCVVYTF-YVZAFYPESA&quot;, &quot;mols2grid-id&quot;: 778, &quot;data-Ligand_InChI_Key&quot;: &quot;PJSKJVHTCVVYTF-YVZAFYPESA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 778, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;329320&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cc1cc(Nc2cc(ccn2)C(F)F)nc(c1)-c1ccc(nc1)C(C)(O)[C@H]1CC[C@@H](CC1)C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PJSKJVHTCVVYTF-YVZAFYPESA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PJSKJVHTCVVYTF-YVZAFYPESA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Cc1cc(Nc2cc(ccn2)C(F)F)nc(c1)-c1ccc(nc1)C(C)(O)[C@H]1CC[C@@H](CC1)C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 329327, &quot;data-inchi_base&quot;: &quot;PJSKJVHTCVVYTF-YVZAFYPESA&quot;, &quot;mols2grid-id&quot;: 779, &quot;data-Ligand_InChI_Key&quot;: &quot;PJSKJVHTCVVYTF-YVZAFYPESA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 779, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;329327&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cc1cc(Nc2cc(ccn2)C(F)F)nc(c1)-c1ccc(nc1)C(C)(O)[C@H]1CC[C@@H](CC1)C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PJSKJVHTCVVYTF-YVZAFYPESA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PJSKJVHTCVVYTF-YVZAFYPESA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(=O)N(O)CCCP(O)(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50335507, &quot;data-inchi_base&quot;: &quot;PKMNDDZSIHLLLI-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 780, &quot;data-Ligand_InChI_Key&quot;: &quot;PKMNDDZSIHLLLI-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 780, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50335507&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(=O)N(O)CCCP(O)(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PKMNDDZSIHLLLI-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PKMNDDZSIHLLLI-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[Na+].CC(=O)N(O)CCCP(O)([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51120187, &quot;data-inchi_base&quot;: &quot;PKMNDDZSIHLLLI-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 781, &quot;data-Ligand_InChI_Key&quot;: &quot;PKMNDDZSIHLLLI-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 781, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51120187&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[Na+].CC(=O)N(O)CCCP(O)([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PKMNDDZSIHLLLI-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PKMNDDZSIHLLLI-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[O-]C(=O)\\\\C=C\\\\c1c[nH]c2ccccc12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 201100, &quot;data-inchi_base&quot;: &quot;PLVPPLCLBIEYEA-AATRIKPKSA&quot;, &quot;mols2grid-id&quot;: 782, &quot;data-Ligand_InChI_Key&quot;: &quot;PLVPPLCLBIEYEA-AATRIKPKSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 782, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;201100&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[O-]C(=O)\\\\C=C\\\\c1c[nH]c2ccccc12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PLVPPLCLBIEYEA-AATRIKPKSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PLVPPLCLBIEYEA-AATRIKPKSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)\\\\C=C\\\\c1c[nH]c2ccccc12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50923225, &quot;data-inchi_base&quot;: &quot;PLVPPLCLBIEYEA-AATRIKPKSA&quot;, &quot;mols2grid-id&quot;: 783, &quot;data-Ligand_InChI_Key&quot;: &quot;PLVPPLCLBIEYEA-AATRIKPKSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 783, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50923225&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)\\\\C=C\\\\c1c[nH]c2ccccc12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PLVPPLCLBIEYEA-AATRIKPKSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PLVPPLCLBIEYEA-AATRIKPKSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCCCCCCCCCCCCC[NH3+]&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50025708, &quot;data-inchi_base&quot;: &quot;PLZVEHJLHYMBBY-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 784, &quot;data-Ligand_InChI_Key&quot;: &quot;PLZVEHJLHYMBBY-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 784, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50025708&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCCCCCCCCCCCC[NH3+]&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PLZVEHJLHYMBBY-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PLZVEHJLHYMBBY-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCCCCCCCCCCCCCN&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50271006, &quot;data-inchi_base&quot;: &quot;PLZVEHJLHYMBBY-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 785, &quot;data-Ligand_InChI_Key&quot;: &quot;PLZVEHJLHYMBBY-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 785, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50271006&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCCCCCCCCCCCCN&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PLZVEHJLHYMBBY-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PLZVEHJLHYMBBY-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[Na+].Cc1ccc(Oc2ccc(CN3CCC(O)=C(C(=O)NCC([O-])=O)C3=O)nc2)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50925311, &quot;data-inchi_base&quot;: &quot;PORDUXDTGYPVDE-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 786, &quot;data-Ligand_InChI_Key&quot;: &quot;PORDUXDTGYPVDE-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 786, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50925311&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[Na+].Cc1ccc(Oc2ccc(CN3CCC(O)=C(C(=O)NCC([O-])=O)C3=O)nc2)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PORDUXDTGYPVDE-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PORDUXDTGYPVDE-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Cc1ccc(Oc2ccc(CN3CCC(O)=C(C(=O)NCC(O)=O)C3=O)nc2)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 422901, &quot;data-inchi_base&quot;: &quot;PORDUXDTGYPVDE-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 787, &quot;data-Ligand_InChI_Key&quot;: &quot;PORDUXDTGYPVDE-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 787, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;422901&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cc1ccc(Oc2ccc(CN3CCC(O)=C(C(=O)NCC(O)=O)C3=O)nc2)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PORDUXDTGYPVDE-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PORDUXDTGYPVDE-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCCCCCCCCCCC(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50501978, &quot;data-inchi_base&quot;: &quot;POULHZVOKOAJMA-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 788, &quot;data-Ligand_InChI_Key&quot;: &quot;POULHZVOKOAJMA-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 788, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50501978&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCCCCCCCCCC(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;POULHZVOKOAJMA-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;POULHZVOKOAJMA-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCCCCCCCCCCC([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 42533, &quot;data-inchi_base&quot;: &quot;POULHZVOKOAJMA-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 789, &quot;data-Ligand_InChI_Key&quot;: &quot;POULHZVOKOAJMA-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 789, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;42533&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCCCCCCCCCCC([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;POULHZVOKOAJMA-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;POULHZVOKOAJMA-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Fc1cc(cc2oc(cc12)C(=O)[N-]S(=O)(=O)c1ccccc1-c1ccccc1)N1CCC1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 1131405, &quot;data-inchi_base&quot;: &quot;PQEGNWLJEGZWJX-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 790, &quot;data-Ligand_InChI_Key&quot;: &quot;PQEGNWLJEGZWJX-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 790, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;1131405&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Fc1cc(cc2oc(cc12)C(=O)[N-]S(=O)(=O)c1ccccc1-c1ccccc1)N1CCC1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PQEGNWLJEGZWJX-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PQEGNWLJEGZWJX-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Fc1cc(cc2oc(cc12)C(=O)NS(=O)(=O)c1ccccc1-c1ccccc1)N1CCC1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 1131404, &quot;data-inchi_base&quot;: &quot;PQEGNWLJEGZWJX-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 791, &quot;data-Ligand_InChI_Key&quot;: &quot;PQEGNWLJEGZWJX-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 791, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;1131404&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Fc1cc(cc2oc(cc12)C(=O)NS(=O)(=O)c1ccccc1-c1ccccc1)N1CCC1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PQEGNWLJEGZWJX-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PQEGNWLJEGZWJX-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CN(C)C(=O)c1ccccc1CCC(SCCC([O-])=O)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50001902, &quot;data-inchi_base&quot;: &quot;PQWDXTSMXAQPLC-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 792, &quot;data-Ligand_InChI_Key&quot;: &quot;PQWDXTSMXAQPLC-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 792, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50001902&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CN(C)C(=O)c1ccccc1CCC(SCCC([O-])=O)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PQWDXTSMXAQPLC-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PQWDXTSMXAQPLC-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CN(C)C(=O)c1ccccc1CCC(SCCC(O)=O)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50001878, &quot;data-inchi_base&quot;: &quot;PQWDXTSMXAQPLC-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 793, &quot;data-Ligand_InChI_Key&quot;: &quot;PQWDXTSMXAQPLC-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 793, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50001878&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CN(C)C(=O)c1ccccc1CCC(SCCC(O)=O)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PQWDXTSMXAQPLC-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PQWDXTSMXAQPLC-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCOP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=S&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50905890, &quot;data-inchi_base&quot;: &quot;PSAFLSKQZCIAOS-PEBGCTIMSA&quot;, &quot;mols2grid-id&quot;: 794, &quot;data-Ligand_InChI_Key&quot;: &quot;PSAFLSKQZCIAOS-PEBGCTIMSA-L&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 794, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50905890&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCOP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=S&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PSAFLSKQZCIAOS-PEBGCTIMSA-L&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PSAFLSKQZCIAOS-PEBGCTIMSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCOP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=S&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51283959, &quot;data-inchi_base&quot;: &quot;PSAFLSKQZCIAOS-PEBGCTIMSA&quot;, &quot;mols2grid-id&quot;: 795, &quot;data-Ligand_InChI_Key&quot;: &quot;PSAFLSKQZCIAOS-PEBGCTIMSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 795, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51283959&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCOP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=S&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PSAFLSKQZCIAOS-PEBGCTIMSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PSAFLSKQZCIAOS-PEBGCTIMSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCc1ccc([NH2+]Cc2cc(OC)c(OC)c(OC)c2)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50073257, &quot;data-inchi_base&quot;: &quot;PVGALIKOSLDYBA-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 796, &quot;data-Ligand_InChI_Key&quot;: &quot;PVGALIKOSLDYBA-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 796, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50073257&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCc1ccc([NH2+]Cc2cc(OC)c(OC)c(OC)c2)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PVGALIKOSLDYBA-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PVGALIKOSLDYBA-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCc1ccc(NCc2cc(OC)c(OC)c(OC)c2)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50073252, &quot;data-inchi_base&quot;: &quot;PVGALIKOSLDYBA-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 797, &quot;data-Ligand_InChI_Key&quot;: &quot;PVGALIKOSLDYBA-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 797, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50073252&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCc1ccc(NCc2cc(OC)c(OC)c(OC)c2)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PVGALIKOSLDYBA-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PVGALIKOSLDYBA-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[C@@]1(Oc2cccc(C3CCN(Cc4nc5ccc(cc5n4C[C@@H]4CCO4)C([O-])=O)CC3)c2O1)c1ccc(Cl)cc1F&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 924066, &quot;data-inchi_base&quot;: &quot;PVJIBTUECCAKKZ-ICACTRECSA&quot;, &quot;mols2grid-id&quot;: 798, &quot;data-Ligand_InChI_Key&quot;: &quot;PVJIBTUECCAKKZ-ICACTRECSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 798, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;924066&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[C@@]1(Oc2cccc(C3CCN(Cc4nc5ccc(cc5n4C[C@@H]4CCO4)C([O-])=O)CC3)c2O1)c1ccc(Cl)cc1F&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PVJIBTUECCAKKZ-ICACTRECSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PVJIBTUECCAKKZ-ICACTRECSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[C@@]1(Oc2cccc(C3CCN(Cc4nc5ccc(cc5n4C[C@@H]4CCO4)C(O)=O)CC3)c2O1)c1ccc(Cl)cc1F&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 1332764, &quot;data-inchi_base&quot;: &quot;PVJIBTUECCAKKZ-ICACTRECSA&quot;, &quot;mols2grid-id&quot;: 799, &quot;data-Ligand_InChI_Key&quot;: &quot;PVJIBTUECCAKKZ-ICACTRECSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 799, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;1332764&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[C@@]1(Oc2cccc(C3CCN(Cc4nc5ccc(cc5n4C[C@@H]4CCO4)C(O)=O)CC3)c2O1)c1ccc(Cl)cc1F&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PVJIBTUECCAKKZ-ICACTRECSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PVJIBTUECCAKKZ-ICACTRECSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Cc1ccccc1C(Oc1cc(OCc2ccc3OCOc3c2)ccc1C#N)C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50152714, &quot;data-inchi_base&quot;: &quot;PWFARXSGRUQKRX-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 800, &quot;data-Ligand_InChI_Key&quot;: &quot;PWFARXSGRUQKRX-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 800, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50152714&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cc1ccccc1C(Oc1cc(OCc2ccc3OCOc3c2)ccc1C#N)C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PWFARXSGRUQKRX-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PWFARXSGRUQKRX-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Cc1ccccc1C(Oc1cc(OCc2ccc3OCOc3c2)ccc1C#N)C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50152691, &quot;data-inchi_base&quot;: &quot;PWFARXSGRUQKRX-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 801, &quot;data-Ligand_InChI_Key&quot;: &quot;PWFARXSGRUQKRX-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 801, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50152691&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cc1ccccc1C(Oc1cc(OCc2ccc3OCOc3c2)ccc1C#N)C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PWFARXSGRUQKRX-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PWFARXSGRUQKRX-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;SC(=S)OC1CC2CC1C1CCCC21&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50991224, &quot;data-inchi_base&quot;: &quot;PWLXJBSAUKKGCM-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 802, &quot;data-Ligand_InChI_Key&quot;: &quot;PWLXJBSAUKKGCM-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 802, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50991224&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;SC(=S)OC1CC2CC1C1CCCC21&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PWLXJBSAUKKGCM-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PWLXJBSAUKKGCM-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[S-]C(=S)OC1CC2CC1C1CCCC21&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50070575, &quot;data-inchi_base&quot;: &quot;PWLXJBSAUKKGCM-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 803, &quot;data-Ligand_InChI_Key&quot;: &quot;PWLXJBSAUKKGCM-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 803, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50070575&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[S-]C(=S)OC1CC2CC1C1CCCC21&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PWLXJBSAUKKGCM-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PWLXJBSAUKKGCM-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;NC(=[NH2+])c1ccccc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 22613, &quot;data-inchi_base&quot;: &quot;PXXJHWLDUBFPOL-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 804, &quot;data-Ligand_InChI_Key&quot;: &quot;PXXJHWLDUBFPOL-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 804, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;22613&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NC(=[NH2+])c1ccccc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PXXJHWLDUBFPOL-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PXXJHWLDUBFPOL-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;NC(=N)c1ccccc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 185157, &quot;data-inchi_base&quot;: &quot;PXXJHWLDUBFPOL-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 805, &quot;data-Ligand_InChI_Key&quot;: &quot;PXXJHWLDUBFPOL-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 805, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;185157&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NC(=N)c1ccccc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PXXJHWLDUBFPOL-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PXXJHWLDUBFPOL-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)C(Oc1cc(OP(O)(O)=O)cc(c1)C([O-])=O)P(O)(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50984299, &quot;data-inchi_base&quot;: &quot;PXZBGXOADJWUMU-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 806, &quot;data-Ligand_InChI_Key&quot;: &quot;PXZBGXOADJWUMU-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 806, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50984299&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)C(Oc1cc(OP(O)(O)=O)cc(c1)C([O-])=O)P(O)(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PXZBGXOADJWUMU-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PXZBGXOADJWUMU-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OP([O-])(=O)Oc1cc(OC(C([O-])=O)P(O)([O-])=O)cc(c1)C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50724234, &quot;data-inchi_base&quot;: &quot;PXZBGXOADJWUMU-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 807, &quot;data-Ligand_InChI_Key&quot;: &quot;PXZBGXOADJWUMU-UHFFFAOYSA-J&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 807, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50724234&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OP([O-])(=O)Oc1cc(OC(C([O-])=O)P(O)([O-])=O)cc(c1)C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PXZBGXOADJWUMU-UHFFFAOYSA-J&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;PXZBGXOADJWUMU-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C([O-])=O)c(SC(C)(C)C)c2c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50024808, &quot;data-inchi_base&quot;: &quot;QAOAOVKBIIKRNL-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 808, &quot;data-Ligand_InChI_Key&quot;: &quot;QAOAOVKBIIKRNL-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 808, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50024808&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C([O-])=O)c(SC(C)(C)C)c2c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QAOAOVKBIIKRNL-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QAOAOVKBIIKRNL-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 110219, &quot;data-inchi_base&quot;: &quot;QAOAOVKBIIKRNL-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 809, &quot;data-Ligand_InChI_Key&quot;: &quot;QAOAOVKBIIKRNL-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 809, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;110219&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QAOAOVKBIIKRNL-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QAOAOVKBIIKRNL-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;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]3CC[C@]12C&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51026622, &quot;data-inchi_base&quot;: &quot;QBYUNVOYXHFVKC-GBURMNQMSA&quot;, &quot;mols2grid-id&quot;: 810, &quot;data-Ligand_InChI_Key&quot;: &quot;QBYUNVOYXHFVKC-GBURMNQMSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 810, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51026622&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;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]3CC[C@]12C&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QBYUNVOYXHFVKC-GBURMNQMSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QBYUNVOYXHFVKC-GBURMNQMSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;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]3CC[C@]12C&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50454951, &quot;data-inchi_base&quot;: &quot;QBYUNVOYXHFVKC-GBURMNQMSA&quot;, &quot;mols2grid-id&quot;: 811, &quot;data-Ligand_InChI_Key&quot;: &quot;QBYUNVOYXHFVKC-GBURMNQMSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 811, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50454951&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;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]3CC[C@]12C&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QBYUNVOYXHFVKC-GBURMNQMSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QBYUNVOYXHFVKC-GBURMNQMSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(=O)Nc1ccc(cc1)C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50630295, &quot;data-inchi_base&quot;: &quot;QCXJEYYXVJIFCE-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 812, &quot;data-Ligand_InChI_Key&quot;: &quot;QCXJEYYXVJIFCE-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 812, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50630295&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(=O)Nc1ccc(cc1)C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QCXJEYYXVJIFCE-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QCXJEYYXVJIFCE-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(=O)Nc1ccc(cc1)C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 417580, &quot;data-inchi_base&quot;: &quot;QCXJEYYXVJIFCE-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 813, &quot;data-Ligand_InChI_Key&quot;: &quot;QCXJEYYXVJIFCE-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 813, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;417580&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(=O)Nc1ccc(cc1)C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QCXJEYYXVJIFCE-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QCXJEYYXVJIFCE-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)c1ccc2c(c1)[nH]c(=O)c1ccccc21&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 308896, &quot;data-inchi_base&quot;: &quot;QCZYYHNRVZRTGW-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 814, &quot;data-Ligand_InChI_Key&quot;: &quot;QCZYYHNRVZRTGW-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 814, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;308896&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)c1ccc2c(c1)[nH]c(=O)c1ccccc21&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QCZYYHNRVZRTGW-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QCZYYHNRVZRTGW-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[O-]C(=O)c1ccc2c(c1)[nH]c(=O)c1ccccc21&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50732627, &quot;data-inchi_base&quot;: &quot;QCZYYHNRVZRTGW-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 815, &quot;data-Ligand_InChI_Key&quot;: &quot;QCZYYHNRVZRTGW-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 815, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50732627&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[O-]C(=O)c1ccc2c(c1)[nH]c(=O)c1ccccc21&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QCZYYHNRVZRTGW-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QCZYYHNRVZRTGW-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[C@@H](NC(=O)c1cc(cc(c1)-c1nnc(o1)[C@](C)(N)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 29094, &quot;data-inchi_base&quot;: &quot;QEJSJQVKMSAHHX-KWMCUTETSA&quot;, &quot;mols2grid-id&quot;: 816, &quot;data-Ligand_InChI_Key&quot;: &quot;QEJSJQVKMSAHHX-KWMCUTETSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 816, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;29094&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[C@@H](NC(=O)c1cc(cc(c1)-c1nnc(o1)[C@](C)(N)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QEJSJQVKMSAHHX-KWMCUTETSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QEJSJQVKMSAHHX-KWMCUTETSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[C@@H](NC(=O)c1cc(cc(c1)-c1nnc(o1)[C@](C)([NH3+])Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 30281, &quot;data-inchi_base&quot;: &quot;QEJSJQVKMSAHHX-KWMCUTETSA&quot;, &quot;mols2grid-id&quot;: 817, &quot;data-Ligand_InChI_Key&quot;: &quot;QEJSJQVKMSAHHX-KWMCUTETSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 817, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;30281&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[C@@H](NC(=O)c1cc(cc(c1)-c1nnc(o1)[C@](C)([NH3+])Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QEJSJQVKMSAHHX-KWMCUTETSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QEJSJQVKMSAHHX-KWMCUTETSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 42245, &quot;data-inchi_base&quot;: &quot;QGJZLNKBHJESQX-FZFNOLFKSA&quot;, &quot;mols2grid-id&quot;: 818, &quot;data-Ligand_InChI_Key&quot;: &quot;QGJZLNKBHJESQX-FZFNOLFKSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 818, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;42245&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QGJZLNKBHJESQX-FZFNOLFKSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QGJZLNKBHJESQX-FZFNOLFKSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50386009, &quot;data-inchi_base&quot;: &quot;QGJZLNKBHJESQX-FZFNOLFKSA&quot;, &quot;mols2grid-id&quot;: 819, &quot;data-Ligand_InChI_Key&quot;: &quot;QGJZLNKBHJESQX-FZFNOLFKSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 819, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50386009&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QGJZLNKBHJESQX-FZFNOLFKSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QGJZLNKBHJESQX-FZFNOLFKSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[NH3+]CC(O)c1ccc(O)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 154055, &quot;data-inchi_base&quot;: &quot;QHGUCRYDKWKLMG-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 820, &quot;data-Ligand_InChI_Key&quot;: &quot;QHGUCRYDKWKLMG-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 820, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;154055&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[NH3+]CC(O)c1ccc(O)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QHGUCRYDKWKLMG-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QHGUCRYDKWKLMG-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;NCC(O)c1ccc(O)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 58766, &quot;data-inchi_base&quot;: &quot;QHGUCRYDKWKLMG-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 821, &quot;data-Ligand_InChI_Key&quot;: &quot;QHGUCRYDKWKLMG-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 821, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;58766&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NCC(O)c1ccc(O)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QHGUCRYDKWKLMG-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QHGUCRYDKWKLMG-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[NH3+]Cc1cccc(NC(=[NH2+])n2cccn2)c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50731658, &quot;data-inchi_base&quot;: &quot;QJNWAWJZLMGABK-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 822, &quot;data-Ligand_InChI_Key&quot;: &quot;QJNWAWJZLMGABK-UHFFFAOYSA-P&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 822, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50731658&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[NH3+]Cc1cccc(NC(=[NH2+])n2cccn2)c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QJNWAWJZLMGABK-UHFFFAOYSA-P&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QJNWAWJZLMGABK-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;NCc1cccc(NC(=N)n2cccn2)c1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50414739, &quot;data-inchi_base&quot;: &quot;QJNWAWJZLMGABK-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 823, &quot;data-Ligand_InChI_Key&quot;: &quot;QJNWAWJZLMGABK-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 823, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50414739&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NCc1cccc(NC(=N)n2cccn2)c1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QJNWAWJZLMGABK-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QJNWAWJZLMGABK-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51026374, &quot;data-inchi_base&quot;: &quot;QLJODMDSTUBWDW-BXMDZJJMSA&quot;, &quot;mols2grid-id&quot;: 824, &quot;data-Ligand_InChI_Key&quot;: &quot;QLJODMDSTUBWDW-BXMDZJJMSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 824, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51026374&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QLJODMDSTUBWDW-BXMDZJJMSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QLJODMDSTUBWDW-BXMDZJJMSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50057277, &quot;data-inchi_base&quot;: &quot;QLJODMDSTUBWDW-BXMDZJJMSA&quot;, &quot;mols2grid-id&quot;: 825, &quot;data-Ligand_InChI_Key&quot;: &quot;QLJODMDSTUBWDW-BXMDZJJMSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 825, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50057277&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QLJODMDSTUBWDW-BXMDZJJMSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QLJODMDSTUBWDW-BXMDZJJMSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[C@H](N)C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 201729, &quot;data-inchi_base&quot;: &quot;QNAYBMKLOCPYGJ-REOHCLBHSA&quot;, &quot;mols2grid-id&quot;: 826, &quot;data-Ligand_InChI_Key&quot;: &quot;QNAYBMKLOCPYGJ-REOHCLBHSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 826, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;201729&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[C@H](N)C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QNAYBMKLOCPYGJ-REOHCLBHSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QNAYBMKLOCPYGJ-REOHCLBHSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[C@H](N)C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 1041872, &quot;data-inchi_base&quot;: &quot;QNAYBMKLOCPYGJ-REOHCLBHSA&quot;, &quot;mols2grid-id&quot;: 827, &quot;data-Ligand_InChI_Key&quot;: &quot;QNAYBMKLOCPYGJ-REOHCLBHSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 827, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;1041872&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[C@H](N)C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QNAYBMKLOCPYGJ-REOHCLBHSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QNAYBMKLOCPYGJ-REOHCLBHSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;NC(=O)Cc1c(Br)n(Cc2ccccc2)c2ccc(OCCCP([O-])([O-])=O)cc12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50092051, &quot;data-inchi_base&quot;: &quot;QNTFQZUVYKZICC-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 828, &quot;data-Ligand_InChI_Key&quot;: &quot;QNTFQZUVYKZICC-UHFFFAOYSA-L&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 828, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50092051&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NC(=O)Cc1c(Br)n(Cc2ccccc2)c2ccc(OCCCP([O-])([O-])=O)cc12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QNTFQZUVYKZICC-UHFFFAOYSA-L&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QNTFQZUVYKZICC-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;NC(=O)Cc1c(Br)n(Cc2ccccc2)c2ccc(OCCCP(O)(O)=O)cc12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50045039, &quot;data-inchi_base&quot;: &quot;QNTFQZUVYKZICC-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 829, &quot;data-Ligand_InChI_Key&quot;: &quot;QNTFQZUVYKZICC-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 829, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50045039&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NC(=O)Cc1c(Br)n(Cc2ccccc2)c2ccc(OCCCP(O)(O)=O)cc12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QNTFQZUVYKZICC-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QNTFQZUVYKZICC-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1cc2cncc(Cc3ccc4oc(nc4c3)-c3ccc(cc3)C([O-])=O)c2cc1OC&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 346773, &quot;data-inchi_base&quot;: &quot;QOCHYGPNGOZIQK-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 830, &quot;data-Ligand_InChI_Key&quot;: &quot;QOCHYGPNGOZIQK-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 830, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;346773&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1cc2cncc(Cc3ccc4oc(nc4c3)-c3ccc(cc3)C([O-])=O)c2cc1OC&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QOCHYGPNGOZIQK-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QOCHYGPNGOZIQK-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1cc2cncc(Cc3ccc4oc(nc4c3)-c3ccc(cc3)C(O)=O)c2cc1OC&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 346774, &quot;data-inchi_base&quot;: &quot;QOCHYGPNGOZIQK-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 831, &quot;data-Ligand_InChI_Key&quot;: &quot;QOCHYGPNGOZIQK-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 831, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;346774&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1cc2cncc(Cc3ccc4oc(nc4c3)-c3ccc(cc3)C(O)=O)c2cc1OC&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QOCHYGPNGOZIQK-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QOCHYGPNGOZIQK-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CCN(CC(O)=O)CC(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 1301191, &quot;data-inchi_base&quot;: &quot;QPCDCPDFJACHGM-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 832, &quot;data-Ligand_InChI_Key&quot;: &quot;QPCDCPDFJACHGM-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 832, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;1301191&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CCN(CC(O)=O)CC(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QPCDCPDFJACHGM-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QPCDCPDFJACHGM-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)CN(CCN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O)CC([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 406698, &quot;data-inchi_base&quot;: &quot;QPCDCPDFJACHGM-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 833, &quot;data-Ligand_InChI_Key&quot;: &quot;QPCDCPDFJACHGM-UHFFFAOYSA-K&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 833, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;406698&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)CN(CCN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O)CC([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QPCDCPDFJACHGM-UHFFFAOYSA-K&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QPCDCPDFJACHGM-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1ccc(cc1)-c1occ(C([O-])=O)c1C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 1376511, &quot;data-inchi_base&quot;: &quot;QPGWVRKHYHUXOV-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 834, &quot;data-Ligand_InChI_Key&quot;: &quot;QPGWVRKHYHUXOV-UHFFFAOYSA-L&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 834, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;1376511&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1ccc(cc1)-c1occ(C([O-])=O)c1C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QPGWVRKHYHUXOV-UHFFFAOYSA-L&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QPGWVRKHYHUXOV-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COc1ccc(cc1)-c1occ(C(O)=O)c1C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 122961, &quot;data-inchi_base&quot;: &quot;QPGWVRKHYHUXOV-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 835, &quot;data-Ligand_InChI_Key&quot;: &quot;QPGWVRKHYHUXOV-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 835, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;122961&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COc1ccc(cc1)-c1occ(C(O)=O)c1C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QPGWVRKHYHUXOV-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QPGWVRKHYHUXOV-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Clc1c(CN2CCCC2=N)[nH]c(=O)[nH]c1=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 36354, &quot;data-inchi_base&quot;: &quot;QQHMKNYGKVVGCZ-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 836, &quot;data-Ligand_InChI_Key&quot;: &quot;QQHMKNYGKVVGCZ-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 836, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;36354&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Clc1c(CN2CCCC2=N)[nH]c(=O)[nH]c1=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QQHMKNYGKVVGCZ-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QQHMKNYGKVVGCZ-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;NC1=[N+](Cc2[nH]c(=O)[nH]c(=O)c2Cl)CCC1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50019930, &quot;data-inchi_base&quot;: &quot;QQHMKNYGKVVGCZ-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 837, &quot;data-Ligand_InChI_Key&quot;: &quot;QQHMKNYGKVVGCZ-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 837, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50019930&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NC1=[N+](Cc2[nH]c(=O)[nH]c(=O)c2Cl)CCC1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QQHMKNYGKVVGCZ-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QQHMKNYGKVVGCZ-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C1CNC(N1)=Nc1cccc2CCCCc12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 154093, &quot;data-inchi_base&quot;: &quot;QQJLHRRUATVHED-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 838, &quot;data-Ligand_InChI_Key&quot;: &quot;QQJLHRRUATVHED-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 838, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;154093&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C1CNC(N1)=Nc1cccc2CCCCc12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QQJLHRRUATVHED-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QQJLHRRUATVHED-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C1CN=C(N1)[NH2+]c1cccc2CCCCc12&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 159884, &quot;data-inchi_base&quot;: &quot;QQJLHRRUATVHED-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 839, &quot;data-Ligand_InChI_Key&quot;: &quot;QQJLHRRUATVHED-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 839, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;159884&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C1CN=C(N1)[NH2+]c1cccc2CCCCc12&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QQJLHRRUATVHED-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QQJLHRRUATVHED-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[O-]P([O-])(=O)CCCCCP([O-])([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50787521, &quot;data-inchi_base&quot;: &quot;QRKINCQKOGXVEO-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 840, &quot;data-Ligand_InChI_Key&quot;: &quot;QRKINCQKOGXVEO-UHFFFAOYSA-J&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 840, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50787521&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[O-]P([O-])(=O)CCCCCP([O-])([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QRKINCQKOGXVEO-UHFFFAOYSA-J&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QRKINCQKOGXVEO-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OP(O)(=O)CCCCCP(O)(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 51147443, &quot;data-inchi_base&quot;: &quot;QRKINCQKOGXVEO-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 841, &quot;data-Ligand_InChI_Key&quot;: &quot;QRKINCQKOGXVEO-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 841, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;51147443&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OP(O)(=O)CCCCCP(O)(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QRKINCQKOGXVEO-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QRKINCQKOGXVEO-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)Cc1ccc(cc1)-c1ccccc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 390293, &quot;data-inchi_base&quot;: &quot;QRZAKQDHEVVFRX-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 842, &quot;data-Ligand_InChI_Key&quot;: &quot;QRZAKQDHEVVFRX-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 842, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;390293&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)Cc1ccc(cc1)-c1ccccc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QRZAKQDHEVVFRX-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QRZAKQDHEVVFRX-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[Na+].[O-]C(=O)Cc1ccc(cc1)-c1ccccc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50602034, &quot;data-inchi_base&quot;: &quot;QRZAKQDHEVVFRX-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 843, &quot;data-Ligand_InChI_Key&quot;: &quot;QRZAKQDHEVVFRX-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 843, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50602034&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[Na+].[O-]C(=O)Cc1ccc(cc1)-c1ccccc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QRZAKQDHEVVFRX-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QRZAKQDHEVVFRX-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 433121, &quot;data-inchi_base&quot;: &quot;QTBSBXVTEAMEQO-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 844, &quot;data-Ligand_InChI_Key&quot;: &quot;QTBSBXVTEAMEQO-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 844, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;433121&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QTBSBXVTEAMEQO-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QTBSBXVTEAMEQO-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CC(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50548180, &quot;data-inchi_base&quot;: &quot;QTBSBXVTEAMEQO-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 845, &quot;data-Ligand_InChI_Key&quot;: &quot;QTBSBXVTEAMEQO-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 845, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50548180&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CC(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QTBSBXVTEAMEQO-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QTBSBXVTEAMEQO-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)CCC(=O)Nc1ccc(NC(=O)c2ccco2)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 310255, &quot;data-inchi_base&quot;: &quot;QTKDRUABFJMKRT-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 846, &quot;data-Ligand_InChI_Key&quot;: &quot;QTKDRUABFJMKRT-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 846, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;310255&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)CCC(=O)Nc1ccc(NC(=O)c2ccco2)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QTKDRUABFJMKRT-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QTKDRUABFJMKRT-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;COC(=O)CCC(=O)Nc1ccc(NC(=O)c2ccco2)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 310263, &quot;data-inchi_base&quot;: &quot;QTKDRUABFJMKRT-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 847, &quot;data-Ligand_InChI_Key&quot;: &quot;QTKDRUABFJMKRT-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 847, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;310263&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;COC(=O)CCC(=O)Nc1ccc(NC(=O)c2ccco2)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QTKDRUABFJMKRT-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QTKDRUABFJMKRT-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 17713, &quot;data-inchi_base&quot;: &quot;QTPHSDHUHXUYFE-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 848, &quot;data-Ligand_InChI_Key&quot;: &quot;QTPHSDHUHXUYFE-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 848, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;17713&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QTPHSDHUHXUYFE-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QTPHSDHUHXUYFE-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCC1=C[C@H]2C[C@@H](C1)c1c(C2)[nH+]c2cc(Cl)ccc2c1N&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50840677, &quot;data-inchi_base&quot;: &quot;QTPHSDHUHXUYFE-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 849, &quot;data-Ligand_InChI_Key&quot;: &quot;QTPHSDHUHXUYFE-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 849, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50840677&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCC1=C[C@H]2C[C@@H](C1)c1c(C2)[nH+]c2cc(Cl)ccc2c1N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QTPHSDHUHXUYFE-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QTPHSDHUHXUYFE-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC[C@H]1C[C@@H](Nc2nc(Nc3cncnc3)ncc2-c2nc3cnccc3s2)[C@H](O)[C@@H]1O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50386152, &quot;data-inchi_base&quot;: &quot;QTVUFYVTUBEGRR-IXZQUYOESA&quot;, &quot;mols2grid-id&quot;: 850, &quot;data-Ligand_InChI_Key&quot;: &quot;QTVUFYVTUBEGRR-IXZQUYOESA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 850, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50386152&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC[C@H]1C[C@@H](Nc2nc(Nc3cncnc3)ncc2-c2nc3cnccc3s2)[C@H](O)[C@@H]1O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QTVUFYVTUBEGRR-IXZQUYOESA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QTVUFYVTUBEGRR-IXZQUYOESA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC[C@H]1C[C@@H](Nc2[nH+]c(Nc3cncnc3)ncc2-c2nc3cnccc3s2)[C@H](O)[C@@H]1O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 580217, &quot;data-inchi_base&quot;: &quot;QTVUFYVTUBEGRR-IXZQUYOESA&quot;, &quot;mols2grid-id&quot;: 851, &quot;data-Ligand_InChI_Key&quot;: &quot;QTVUFYVTUBEGRR-IXZQUYOESA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 851, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;580217&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC[C@H]1C[C@@H](Nc2[nH+]c(Nc3cncnc3)ncc2-c2nc3cnccc3s2)[C@H](O)[C@@H]1O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QTVUFYVTUBEGRR-IXZQUYOESA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QTVUFYVTUBEGRR-IXZQUYOESA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;O[C@H]1[C@@H](CC(=C[C@H]1OP(O)(O)=O)C(O)=O)OC(=C)C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50465685, &quot;data-inchi_base&quot;: &quot;QUTYKIXIUDQOLK-PRJMDXOYSA&quot;, &quot;mols2grid-id&quot;: 852, &quot;data-Ligand_InChI_Key&quot;: &quot;QUTYKIXIUDQOLK-PRJMDXOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 852, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50465685&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;O[C@H]1[C@@H](CC(=C[C@H]1OP(O)(O)=O)C(O)=O)OC(=C)C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QUTYKIXIUDQOLK-PRJMDXOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QUTYKIXIUDQOLK-PRJMDXOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;O[C@H]1[C@@H](CC(=C[C@H]1OP(O)([O-])=O)C([O-])=O)OC(=C)C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50002486, &quot;data-inchi_base&quot;: &quot;QUTYKIXIUDQOLK-PRJMDXOYSA&quot;, &quot;mols2grid-id&quot;: 853, &quot;data-Ligand_InChI_Key&quot;: &quot;QUTYKIXIUDQOLK-PRJMDXOYSA-K&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 853, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50002486&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;O[C@H]1[C@@H](CC(=C[C@H]1OP(O)([O-])=O)C([O-])=O)OC(=C)C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QUTYKIXIUDQOLK-PRJMDXOYSA-K&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QUTYKIXIUDQOLK-PRJMDXOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)C1CCN(CC1)c1nc(NCc2ccc3OCOc3c2)c2cc(Cl)ccc2n1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50047430, &quot;data-inchi_base&quot;: &quot;QUUJQFQTLSFCKW-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 854, &quot;data-Ligand_InChI_Key&quot;: &quot;QUUJQFQTLSFCKW-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 854, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50047430&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)C1CCN(CC1)c1nc(NCc2ccc3OCOc3c2)c2cc(Cl)ccc2n1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QUUJQFQTLSFCKW-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QUUJQFQTLSFCKW-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[O-]C(=O)C1CCN(CC1)c1nc(NCc2ccc3OCOc3c2)c2cc(Cl)ccc2n1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50053690, &quot;data-inchi_base&quot;: &quot;QUUJQFQTLSFCKW-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 855, &quot;data-Ligand_InChI_Key&quot;: &quot;QUUJQFQTLSFCKW-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 855, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50053690&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[O-]C(=O)C1CCN(CC1)c1nc(NCc2ccc3OCOc3c2)c2cc(Cl)ccc2n1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QUUJQFQTLSFCKW-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QUUJQFQTLSFCKW-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50831855, &quot;data-inchi_base&quot;: &quot;QVFLVLMYXXNJDT-CSBVGUNJSA&quot;, &quot;mols2grid-id&quot;: 856, &quot;data-Ligand_InChI_Key&quot;: &quot;QVFLVLMYXXNJDT-CSBVGUNJSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 856, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50831855&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QVFLVLMYXXNJDT-CSBVGUNJSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QVFLVLMYXXNJDT-CSBVGUNJSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50831853, &quot;data-inchi_base&quot;: &quot;QVFLVLMYXXNJDT-CSBVGUNJSA&quot;, &quot;mols2grid-id&quot;: 857, &quot;data-Ligand_InChI_Key&quot;: &quot;QVFLVLMYXXNJDT-CSBVGUNJSA-K&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 857, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50831853&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QVFLVLMYXXNJDT-CSBVGUNJSA-K&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QVFLVLMYXXNJDT-CSBVGUNJSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;NC(=[NH2+])c1cc2nc([nH]c2cc1F)-c1cccc(-c2ccccc2)c1O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 25513, &quot;data-inchi_base&quot;: &quot;QXRGLPOCPFPVHS-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 858, &quot;data-Ligand_InChI_Key&quot;: &quot;QXRGLPOCPFPVHS-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 858, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;25513&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NC(=[NH2+])c1cc2nc([nH]c2cc1F)-c1cccc(-c2ccccc2)c1O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QXRGLPOCPFPVHS-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QXRGLPOCPFPVHS-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;NC(=[NH2+])c1cc2nc([nH]c2cc1F)-c1cccc(-c2ccccc2)c1[O-]&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 25958, &quot;data-inchi_base&quot;: &quot;QXRGLPOCPFPVHS-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 859, &quot;data-Ligand_InChI_Key&quot;: &quot;QXRGLPOCPFPVHS-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 859, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;25958&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;NC(=[NH2+])c1cc2nc([nH]c2cc1F)-c1cccc(-c2ccccc2)c1[O-]&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QXRGLPOCPFPVHS-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QXRGLPOCPFPVHS-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC1=NC(=S)C(S1)=Cc1ccc(cc1)C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50968841, &quot;data-inchi_base&quot;: &quot;QYCZDJALECNZGD-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 860, &quot;data-Ligand_InChI_Key&quot;: &quot;QYCZDJALECNZGD-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 860, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50968841&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC1=NC(=S)C(S1)=Cc1ccc(cc1)C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QYCZDJALECNZGD-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QYCZDJALECNZGD-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;OC(=O)c1ccc(C=C2SC(O)=NC2=S)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50968810, &quot;data-inchi_base&quot;: &quot;QYCZDJALECNZGD-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 861, &quot;data-Ligand_InChI_Key&quot;: &quot;QYCZDJALECNZGD-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 861, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50968810&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;OC(=O)c1ccc(C=C2SC(O)=NC2=S)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QYCZDJALECNZGD-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QYCZDJALECNZGD-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;O[Se](O)(=O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50468201, &quot;data-inchi_base&quot;: &quot;QYHFIVBSNOWOCQ-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 862, &quot;data-Ligand_InChI_Key&quot;: &quot;QYHFIVBSNOWOCQ-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 862, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50468201&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;O[Se](O)(=O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QYHFIVBSNOWOCQ-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QYHFIVBSNOWOCQ-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;[O-][Se]([O-])(=O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 420157, &quot;data-inchi_base&quot;: &quot;QYHFIVBSNOWOCQ-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 863, &quot;data-Ligand_InChI_Key&quot;: &quot;QYHFIVBSNOWOCQ-UHFFFAOYSA-L&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 863, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;420157&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;[O-][Se]([O-])(=O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QYHFIVBSNOWOCQ-UHFFFAOYSA-L&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QYHFIVBSNOWOCQ-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;O[C@@H]1CC(=C[C@@H](OP([O-])([O-])=O)[C@H]1O)C([O-])=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50465689, &quot;data-inchi_base&quot;: &quot;QYOJSKGCWNAKGW-PBXRRBTRSA&quot;, &quot;mols2grid-id&quot;: 864, &quot;data-Ligand_InChI_Key&quot;: &quot;QYOJSKGCWNAKGW-PBXRRBTRSA-K&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 864, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50465689&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;O[C@@H]1CC(=C[C@@H](OP([O-])([O-])=O)[C@H]1O)C([O-])=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QYOJSKGCWNAKGW-PBXRRBTRSA-K&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QYOJSKGCWNAKGW-PBXRRBTRSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;O[C@@H]1CC(=C[C@@H](OP(O)([O-])=O)[C@H]1O)C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50466952, &quot;data-inchi_base&quot;: &quot;QYOJSKGCWNAKGW-PBXRRBTRSA&quot;, &quot;mols2grid-id&quot;: 865, &quot;data-Ligand_InChI_Key&quot;: &quot;QYOJSKGCWNAKGW-PBXRRBTRSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 865, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50466952&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;O[C@@H]1CC(=C[C@@H](OP(O)([O-])=O)[C@H]1O)C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QYOJSKGCWNAKGW-PBXRRBTRSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QYOJSKGCWNAKGW-PBXRRBTRSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;O[C@@H]1CC(=C[C@@H](OP(O)(O)=O)[C@H]1O)C(O)=O&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 217481, &quot;data-inchi_base&quot;: &quot;QYOJSKGCWNAKGW-PBXRRBTRSA&quot;, &quot;mols2grid-id&quot;: 866, &quot;data-Ligand_InChI_Key&quot;: &quot;QYOJSKGCWNAKGW-PBXRRBTRSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 866, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;217481&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;O[C@@H]1CC(=C[C@@H](OP(O)(O)=O)[C@H]1O)C(O)=O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QYOJSKGCWNAKGW-PBXRRBTRSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QYOJSKGCWNAKGW-PBXRRBTRSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCc1occc1[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50368059, &quot;data-inchi_base&quot;: &quot;QZLFLIRSGPJCFX-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 867, &quot;data-Ligand_InChI_Key&quot;: &quot;QZLFLIRSGPJCFX-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 867, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50368059&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCc1occc1[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QZLFLIRSGPJCFX-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QZLFLIRSGPJCFX-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Clc1ccc(CNC(=N)Cc2ccc(Cc3cnc[nH]3)cc2)cc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50008010, &quot;data-inchi_base&quot;: &quot;QZLFLIRSGPJCFX-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 868, &quot;data-Ligand_InChI_Key&quot;: &quot;QZLFLIRSGPJCFX-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 868, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50008010&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Clc1ccc(CNC(=N)Cc2ccc(Cc3cnc[nH]3)cc2)cc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QZLFLIRSGPJCFX-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QZLFLIRSGPJCFX-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Cc1c(nc2ccc(Br)cc2c1C(=O)NC12CCC(CC1)(CC2)C([O-])=O)-c1ccccc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 569955, &quot;data-inchi_base&quot;: &quot;QZWSDSOAZQAJDD-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 869, &quot;data-Ligand_InChI_Key&quot;: &quot;QZWSDSOAZQAJDD-UHFFFAOYSA-M&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 869, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;569955&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cc1c(nc2ccc(Br)cc2c1C(=O)NC12CCC(CC1)(CC2)C([O-])=O)-c1ccccc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QZWSDSOAZQAJDD-UHFFFAOYSA-M&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QZWSDSOAZQAJDD-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;Cc1c(nc2ccc(Br)cc2c1C(=O)NC12CCC(CC1)(CC2)C(O)=O)-c1ccccc1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 569910, &quot;data-inchi_base&quot;: &quot;QZWSDSOAZQAJDD-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 870, &quot;data-Ligand_InChI_Key&quot;: &quot;QZWSDSOAZQAJDD-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 870, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;569910&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;Cc1c(nc2ccc(Br)cc2c1C(=O)NC12CCC(CC1)(CC2)C(O)=O)-c1ccccc1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QZWSDSOAZQAJDD-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;QZWSDSOAZQAJDD-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCC1(Cc2ccccc2O1)C1=[NH+]CCN1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50873079, &quot;data-inchi_base&quot;: &quot;RATZLMXRALDSJW-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 871, &quot;data-Ligand_InChI_Key&quot;: &quot;RATZLMXRALDSJW-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 871, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50873079&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCC1(Cc2ccccc2O1)C1=[NH+]CCN1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;RATZLMXRALDSJW-UHFFFAOYSA-O&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;RATZLMXRALDSJW-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;CCC1(Cc2ccccc2O1)C1=NCCN1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 50501052, &quot;data-inchi_base&quot;: &quot;RATZLMXRALDSJW-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 872, &quot;data-Ligand_InChI_Key&quot;: &quot;RATZLMXRALDSJW-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 872, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;50501052&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;CCC1(Cc2ccccc2O1)C1=NCCN1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;RATZLMXRALDSJW-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;RATZLMXRALDSJW-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;O=C(Cc1ccc(OCCN2CCCC2)cc1)Nc1cc(n[nH]1)C1CC1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 11914, &quot;data-inchi_base&quot;: &quot;RBPFQBARVLHLER-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 873, &quot;data-Ligand_InChI_Key&quot;: &quot;RBPFQBARVLHLER-UHFFFAOYSA-N&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 873, &quot;m2g-tooltip&quot;: &quot;&lt;strong&gt;BindingDB_Reactant_set_id&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;11914&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_SMILES&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;O=C(Cc1ccc(OCCN2CCCC2)cc1)Nc1cc(n[nH]1)C1CC1&lt;/span&gt;&lt;br&gt;&lt;strong&gt;Ligand_InChI_Key&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;RBPFQBARVLHLER-UHFFFAOYSA-N&lt;/span&gt;&lt;br&gt;&lt;strong&gt;inchi_base&lt;/strong&gt;: &lt;span class=\\&quot;copy-me\\&quot;&gt;RBPFQBARVLHLER-UHFFFAOYSA&lt;/span&gt;&quot;}, {&quot;data-Ligand_SMILES&quot;: &quot;O=C(Cc1ccc(OCC[NH+]2CCCC2)cc1)Nc1cc(n[nH]1)C1CC1&quot;, &quot;data-BindingDB_Reactant_set_id&quot;: 199410, &quot;data-inchi_base&quot;: &quot;RBPFQBARVLHLER-UHFFFAOYSA&quot;, &quot;mols2grid-id&quot;: 874, &quot;data-Ligand_InChI_Key&quot;: &quot;RBPFQBARVLHLER-UHFFFAOYSA-O&quot;, &quot;data-img&quot;: null, &quot;data-mols2grid-id-display&quot;: 874, &quo
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment