smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c(=O)[n-]c(SC/C=C/c2ccc([N+](=O)[O-])cc2)nc1Cc1c(F)cccc1F	ZINC000028862959	563067044	/nfs/dbraw/zinc/06/70/44/563067044.db2.gz	DINGQTWOWJBQPP-ONEGZZNKSA-N	-1	1	429.448	4.661	1	5		IJBFMM
Cc1c(=O)[n-]c(SCc2ccc([N+](=O)[O-])cc2)nc1Cc1cccc(Br)c1	ZINC000040394506	563100479	/nfs/dbraw/zinc/10/04/79/563100479.db2.gz	KRCFRMHCXHUCIJ-UHFFFAOYSA-N	-1	1	446.326	4.632	1	5		IJBFMM
Cc1c(=O)[n-]c(SCc2ccc([N+](=O)[O-])cc2)nc1Cc1ccccc1Br	ZINC000040892946	563110153	/nfs/dbraw/zinc/11/01/53/563110153.db2.gz	BHVQAXHRAHXQIB-UHFFFAOYSA-N	-1	1	446.326	4.632	1	5		IJBFMM
O=C(NC1CCCCC1)c1cc(-c2c([O-])cc(O)cc2Oc2ccc([N+](=O)[O-])cc2)on1	ZINC000096939879	563200118	/nfs/dbraw/zinc/20/01/18/563200118.db2.gz	UUIVGHROEXITCT-UHFFFAOYSA-N	-1	1	439.424	4.516	1	5		IJBFMM
COc1cc(C=C2SC(=O)[N-]C2=O)ccc1Oc1ccc([N+](=O)[O-])c(C(F)(F)F)c1	ZINC000066079534	563157860	/nfs/dbraw/zinc/15/78/60/563157860.db2.gz	ZRKIDFSLYHMIMN-CHHVJCJISA-N	-1	1	440.355	4.738	1	5		IJBFMM