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-])CCCCO[C@@H](C[N+](=O)[O-])C(Cl)(Cl)Cl	ZINC000001557953	401708355	/nfs/dbraw/zinc/70/83/55/401708355.db2.gz	ZQDMXYHEXRDAHM-LURJTMIESA-N	-1	2	308.545	2.273	40	5		DEBBLM
O=C([O-])CCCCO[C@H](C[N+](=O)[O-])C(Cl)(Cl)Cl	ZINC000002031758	180906784	/nfs/dbraw/zinc/90/67/84/180906784.db2.gz	ZQDMXYHEXRDAHM-ZCFIWIBFSA-N	-1	2	308.545	2.273	40	5		DEBBLM
O=C([O-])c1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000003148990	401722105	/nfs/dbraw/zinc/72/21/05/401722105.db2.gz	VEKAWWUDVIPVQQ-UHFFFAOYSA-N	-1	2	322.298	2.094	40	5		DEBBLM
O=C([O-])c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000003148994	401722010	/nfs/dbraw/zinc/72/20/10/401722010.db2.gz	XHNVKWYLYSJFKB-UHFFFAOYSA-N	-1	2	322.298	2.094	40	5		DEBBLM
O=C([O-])c1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000028497950	401852310	/nfs/dbraw/zinc/85/23/10/401852310.db2.gz	MKYCCWWJKMFHJH-UHFFFAOYSA-N	-1	2	322.298	2.094	40	5		DEBBLM
O=C([O-])c1ccc(Sc2nc(C(F)F)n[nH]2)c([N+](=O)[O-])c1	ZINC000216904167	402289918	/nfs/dbraw/zinc/28/99/18/402289918.db2.gz	JEVYPSMPAJEKQL-UHFFFAOYSA-N	-1	2	316.245	2.500	40	5		DEBBLM
O=C([O-])c1cc([N+](=O)[O-])ccc1Sc1nc(C(F)F)n[nH]1	ZINC000216904613	402289905	/nfs/dbraw/zinc/28/99/05/402289905.db2.gz	KQVFKNLKJFUJQE-UHFFFAOYSA-N	-1	2	316.245	2.500	40	5		DEBBLM