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-])c1O	ZINC000108973670	488521325	/nfs/dbraw/zinc/52/13/25/488521325.db2.gz	WVJMKBUHXFENGG-RUDMXATFSA-N	0	1	365.298	0.765	40	5		FCBBMN
CN1CCN(CCCNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1	ZINC000216401720	206358098	/nfs/dbraw/zinc/35/80/98/206358098.db2.gz	IHGWMEORSLQELC-UHFFFAOYSA-N	0	1	356.448	0.652	40	5		FCBBMN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCN1CCN(C)CC1	ZINC000013673210	220083090	/nfs/dbraw/zinc/08/30/90/220083090.db2.gz	QSHBWSRXZKCIKE-UHFFFAOYSA-N	0	1	356.448	0.819	40	5		FCBBMN
COC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000015016894	487575490	/nfs/dbraw/zinc/57/54/90/487575490.db2.gz	RKDNXCGXOJXBQI-GFCCVEGCSA-N	0	1	360.286	0.772	40	5		FCBBMN
CCOc1cc([N+](=O)[O-])cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)c1O	ZINC000408549125	528336740	/nfs/dbraw/zinc/33/67/40/528336740.db2.gz	PLDAGVSLPQNPON-BJMVGYQFSA-N	0	1	365.298	0.765	40	5		FCBBMN
COC(=O)CN1C(=O)N/C(=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)C1=O	ZINC000408549647	533501872	/nfs/dbraw/zinc/50/18/72/533501872.db2.gz	WEYHKXVXOPECQX-FPYGCLRLSA-N	0	1	351.271	0.375	40	5		FCBBMN
Cc1ccc(S(=O)(=O)NCCCN2CCN(C)CC2)cc1[N+](=O)[O-]	ZINC000022913972	487627694	/nfs/dbraw/zinc/62/76/94/487627694.db2.gz	UBDKGCRPRWIOJB-UHFFFAOYSA-N	0	1	356.448	0.819	40	5		FCBBMN
COC(=O)CN1C(=O)C(=Cc2cc(OC)c(O)c([N+](=O)[O-])c2)NC1=S	ZINC000409217268	533500728	/nfs/dbraw/zinc/50/07/28/533500728.db2.gz	UGIRCQZNQUNNOO-BAQGIRSFSA-N	0	1	367.339	0.540	40	5		FCBBMN
COC(=O)CN1C(=O)N/C(=C/c2cc([N+](=O)[O-])cc(OC)c2O)C1=O	ZINC000408549810	533502107	/nfs/dbraw/zinc/50/21/07/533502107.db2.gz	ZMDGKOJJVFHKPQ-RUDMXATFSA-N	0	1	351.271	0.375	40	5		FCBBMN
COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000015016895	220141674	/nfs/dbraw/zinc/14/16/74/220141674.db2.gz	RKDNXCGXOJXBQI-LBPRGKRZSA-N	0	1	360.286	0.772	40	5		FCBBMN