smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])CCNc1ccc(S(=O)(=O)NCCC(=O)[O-])cc1[N+](=O)[O-]	ZINC000035686187	487798612	/nfs/dbraw/zinc/79/86/12/487798612.db2.gz	TYVATXLNMUCPGN-UHFFFAOYSA-N	-2	0	361.332	0.234	40	5		FCBBRL
CCOc1cc([N+](=O)[O-])cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)c1[O-]	ZINC000408596006	528336286	/nfs/dbraw/zinc/33/62/86/528336286.db2.gz	YOIIHOLPNHBAOT-RUDMXATFSA-N	-2	0	351.271	0.676	40	5		FCBBRL
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000006906053	487498603	/nfs/dbraw/zinc/49/86/03/487498603.db2.gz	PGBFVGNAVLWLTN-NSCUHMNNSA-N	-2	0	350.243	0.764	40	5		FCBBRL
CCOc1cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000408589596	528194389	/nfs/dbraw/zinc/19/43/89/528194389.db2.gz	DYXMSOBYCVUDEL-FPYGCLRLSA-N	-2	0	351.271	0.676	40	5		FCBBRL
O=C([O-])CN1C(=O)N/C(=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])C1=O	ZINC000408586696	230013150	/nfs/dbraw/zinc/01/31/50/230013150.db2.gz	AZFAVTPAKOIETO-FARCUNLSSA-N	-2	0	352.215	0.186	40	5		FCBBRL
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])[nH]1	ZINC000105433610	488509677	/nfs/dbraw/zinc/50/96/77/488509677.db2.gz	DLGDSYKXOPUFPP-OWOJBTEDSA-N	-2	0	365.214	0.664	40	5		FCBBRL