smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000108973670	488521322	/nfs/dbraw/zinc/52/13/22/488521322.db2.gz	WVJMKBUHXFENGG-RUDMXATFSA-N	-1	0	365.298	0.765	40	5		FCBBRM
Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000223312672	209755756	/nfs/dbraw/zinc/75/57/56/209755756.db2.gz	HFIXZEWMUUEASE-UHFFFAOYSA-N	-1	0	354.344	0.101	40	5		FCBBRM
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000223312237	488448572	/nfs/dbraw/zinc/44/85/72/488448572.db2.gz	LDUIYURAHQYBBP-UHFFFAOYSA-N	-1	0	354.344	0.101	40	5		FCBBRM
COc1c(O)ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c1[N+](=O)[O-]	ZINC000107700535	488518061	/nfs/dbraw/zinc/51/80/61/488518061.db2.gz	WSARKHZLRSKFKG-DUXPYHPUSA-N	-1	0	350.243	0.764	40	5		FCBBRM
Cc1c([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cccc1[N+](=O)[O-]	ZINC000223312335	488448602	/nfs/dbraw/zinc/44/86/02/488448602.db2.gz	CAEVMBMDIWSINK-UHFFFAOYSA-N	-1	0	354.344	0.101	40	5		FCBBRM
CCOC(=O)CCNC(=O)CCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000001589427	210359524	/nfs/dbraw/zinc/35/95/24/210359524.db2.gz	XRNKCKCTLJETGQ-UHFFFAOYSA-N	-1	0	353.331	0.490	40	5		FCBBRM
CCOc1cc([N+](=O)[O-])cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)c1[O-]	ZINC000408549125	528336733	/nfs/dbraw/zinc/33/67/33/528336733.db2.gz	PLDAGVSLPQNPON-BJMVGYQFSA-N	-1	0	365.298	0.765	40	5		FCBBRM
COC(=O)CN1C(=O)N/C(=C/c2cc(OC)c([O-])c([N+](=O)[O-])c2)C1=O	ZINC000408549647	533501867	/nfs/dbraw/zinc/50/18/67/533501867.db2.gz	WEYHKXVXOPECQX-FPYGCLRLSA-N	-1	0	351.271	0.375	40	5		FCBBRM
COc1cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)c([N+](=O)[O-])cc1OC	ZINC000408591657	533471263	/nfs/dbraw/zinc/47/12/63/533471263.db2.gz	IYTMORPKFWQMKY-FPYGCLRLSA-N	-1	0	351.271	0.589	40	5		FCBBRM
COC(=O)CN1C(=O)N/C(=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])C1=O	ZINC000408548925	533502068	/nfs/dbraw/zinc/50/20/68/533502068.db2.gz	NMVYEKVPSDOXIS-FPYGCLRLSA-N	-1	0	366.242	0.274	40	5		FCBBRM
COc1cc(OC)c([N+](=O)[O-])cc1/C=C1/NC(=O)N(CC(=O)[O-])C1=O	ZINC000408593673	230013425	/nfs/dbraw/zinc/01/34/25/230013425.db2.gz	NBNWDIUKCNSAFM-FPYGCLRLSA-N	-1	0	351.271	0.589	40	5		FCBBRM
COC(=O)CN1C(=O)C(=Cc2cc(OC)c([O-])c([N+](=O)[O-])c2)NC1=S	ZINC000409217268	533500725	/nfs/dbraw/zinc/50/07/25/533500725.db2.gz	UGIRCQZNQUNNOO-BAQGIRSFSA-N	-1	0	367.339	0.540	40	5		FCBBRM
COC(=O)CN1C(=O)N/C(=C/c2cc([N+](=O)[O-])cc(OC)c2[O-])C1=O	ZINC000408549810	533502103	/nfs/dbraw/zinc/50/21/03/533502103.db2.gz	ZMDGKOJJVFHKPQ-RUDMXATFSA-N	-1	0	351.271	0.375	40	5		FCBBRM