smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1	ZINC000748865355	1067173750	/nfs/dbraw/zinc/17/37/50/1067173750.db2.gz	ROVBQZZIKRELAK-UHFFFAOYSA-N	0	2	453.523	3.231	20	10		JGCDLN
O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	ZINC000746176919	1065309899	/nfs/dbraw/zinc/30/98/99/1065309899.db2.gz	JOWZKQNNVLBBQY-UHFFFAOYSA-N	0	2	463.409	3.068	20	10		JGCDLN
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)NCc2ccccc2O)cc1	ZINC000748349956	1068068839	/nfs/dbraw/zinc/06/88/39/1068068839.db2.gz	NGCMOFQJCXPKOX-UHFFFAOYSA-N	0	2	457.464	3.040	20	10		JGCDLN
Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)cc1[N+](=O)[O-]	ZINC000748865371	1067173709	/nfs/dbraw/zinc/17/37/09/1067173709.db2.gz	TWUXZXKEJIKLJT-UHFFFAOYSA-N	0	2	453.523	3.231	20	10		JGCDLN
CN(C)c1ccc(CNC(=O)c2ccc3c(c2)[nH]c(=S)n(Cc2ccco2)c3=O)cc1F	ZINC000746864714	1066509749	/nfs/dbraw/zinc/50/97/49/1066509749.db2.gz	UQZVPPNLXFIARS-UHFFFAOYSA-N	0	2	452.511	3.462	20	10		JGCDLN
CN(C)c1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2O)cc1F	ZINC000746889851	1066568062	/nfs/dbraw/zinc/56/80/62/1066568062.db2.gz	GUJQFDNIOXOOEV-UHFFFAOYSA-N	0	2	488.497	3.236	20	10		JGCDLN