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-])c1ccccc1[N-]S(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000009511918	555301040	/nfs/dbraw/zinc/30/10/40/555301040.db2.gz	DRKCZAXCXOWLRO-UHFFFAOYSA-N	-3	1	477.476	2.895	50	5		JFBAML
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc(I)c1OCC	ZINC000013955268	555659577	/nfs/dbraw/zinc/65/95/77/555659577.db2.gz	ZCLBDUUTMWKYAN-AATRIKPKSA-N	-2	1	473.223	2.956	50	5		JFBAML
O=C([O-])c1ccccc1[N-]S(=O)(=O)c1ccc(NNC(=S)NCc2ccco2)c([N+](=O)[O-])c1	ZINC000009509644	555297734	/nfs/dbraw/zinc/29/77/34/555297734.db2.gz	OFLQETDSBGMYOT-UHFFFAOYSA-N	-2	1	491.507	2.678	50	5		JFBAML
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc(I)c1OC	ZINC000013955266	555659620	/nfs/dbraw/zinc/65/96/20/555659620.db2.gz	UHAJDQGWWHIACB-SNAWJCMRSA-N	-2	1	459.196	2.566	50	5		JFBAML
CCOc1c(I)cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1OC	ZINC000012354373	520609036	/nfs/dbraw/zinc/60/90/36/520609036.db2.gz	XTITUGZPOSWPJJ-SNAWJCMRSA-N	-2	1	459.196	2.566	50	5		JFBAML
CCc1nnc([N-]S(=O)(=O)c2ccc([N-]c3c4nonc4c([N+](=O)[O-])cc3[N+](=O)[O-])cc2)s1	ZINC000016309587	522777306	/nfs/dbraw/zinc/77/73/06/522777306.db2.gz	CEHBRBGXBRDLSI-UHFFFAOYSA-N	-2	1	492.455	2.998	50	5		JFBAML