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([N-]S(=O)(=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000095931957	185032861	/nfs/dbraw/zinc/03/28/61/185032861.db2.gz	WBDUCBNYZKCTBV-UHFFFAOYSA-N	-2	1	280.645	0.781	10	5		CCBEML
O=C([O-])c1cc([N+](=O)[O-])ccc1NC(=O)c1nn[n-]n1	ZINC000022205377	171372479	/nfs/dbraw/zinc/37/24/79/171372479.db2.gz	WUFSNUIDRZCYMA-UHFFFAOYSA-N	-2	1	278.184	0.058	10	5		CCBEML
Cc1cc([N-]S(=O)(=O)CC(=O)[O-])ccc1[N+](=O)[O-]	ZINC000043570155	175068169	/nfs/dbraw/zinc/06/81/69/175068169.db2.gz	DENTZXCQPNVTPJ-UHFFFAOYSA-N	-2	1	274.254	0.730	10	5		CCBEML
O=C([O-])Cc1c[n-]n(-c2ccc([N+](=O)[O-])cc2F)c1=O	ZINC000536955128	330383088	/nfs/dbraw/zinc/38/30/88/330383088.db2.gz	UDAJZVNLHXXMHF-UHFFFAOYSA-N	-2	1	281.199	0.840	10	5		CCBEML
O=C([O-])CS(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1	ZINC000020373323	171169642	/nfs/dbraw/zinc/16/96/42/171169642.db2.gz	OBWCFZJLRAZZOA-UHFFFAOYSA-N	-2	1	260.227	0.421	10	5		CCBEML
CCC(=O)Nc1ccc2nc3c(=O)[n-]c(=O)nc-3[n-]c2c1	ZINC000009668616	170383861	/nfs/dbraw/zinc/38/38/61/170383861.db2.gz	IPOJJFMBWJFJHO-UHFFFAOYSA-N	-2	1	285.263	0.920	10	5		CCBEML
O=C([O-])Cn1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cn1	ZINC000038029810	174021345	/nfs/dbraw/zinc/02/13/45/174021345.db2.gz	FQLODZUBNKELGV-UHFFFAOYSA-N	-2	1	279.212	0.456	10	5		CCBEML
CCOc1ccc2nc3c(=O)[n-]c(=O)nc-3[n-]c2c1	ZINC000000133571	347940008	/nfs/dbraw/zinc/94/00/08/347940008.db2.gz	IMUNTAPCKHCGOP-UHFFFAOYSA-N	-2	1	258.237	0.971	10	5		CCBEML
O=C([O-])Cc1c[n-]n(-c2ccccc2[N+](=O)[O-])c1=O	ZINC000536952975	330382687	/nfs/dbraw/zinc/38/26/87/330382687.db2.gz	GGEAZCNQSYGKBG-UHFFFAOYSA-N	-2	1	263.209	0.701	10	5		CCBEML
O=C([O-])Cc1c[n-]n(-c2cccc(F)c2[N+](=O)[O-])c1=O	ZINC000536953055	330382726	/nfs/dbraw/zinc/38/27/26/330382726.db2.gz	HIEXCFWFDBPDRN-UHFFFAOYSA-N	-2	1	281.199	0.840	10	5		CCBEML
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000715305236	977735306	/nfs/dbraw/zinc/73/53/06/977735306.db2.gz	WNNBFPLVLNQCEF-IYSWYEEDSA-N	-2	1	281.224	0.146	10	5		CCBEML
O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000693347310	954731406	/nfs/dbraw/zinc/73/14/06/954731406.db2.gz	JEEXHACRAGOPEZ-OLQVQODUSA-N	-2	1	281.224	0.288	10	5		CCBEML
O=C([O-])CCS(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1	ZINC000020373331	171169833	/nfs/dbraw/zinc/16/98/33/171169833.db2.gz	DPJYWYDFTWFEEV-UHFFFAOYSA-N	-2	1	274.254	0.811	10	5		CCBEML
O=C([O-])c1cnc(Cn2cc([N+](=O)[O-])cn2)[n-]c1=O	ZINC000040543683	174323980	/nfs/dbraw/zinc/32/39/80/174323980.db2.gz	VGLMLGWLSFDGKC-UHFFFAOYSA-N	-2	1	265.185	0.033	10	5		CCBEML
O=C([O-])Cc1c[n-]n(-c2cccc([N+](=O)[O-])c2)c1=O	ZINC000536955546	358547093	/nfs/dbraw/zinc/54/70/93/358547093.db2.gz	XDPOXTNTQMWUTF-UHFFFAOYSA-N	-2	1	263.209	0.701	10	5		CCBEML