smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(Cl)c(OCCN2CCN(C)CC2)c(Cl)c1[O-]	ZINC000022449850	553742436	/nfs/dbraw/zinc/74/24/36/553742436.db2.gz	IPSSXIMJJXSJQB-FQEVSTJZSA-N	-1	1	524.445	3.229	10	0	in-vitro	KGAEMM
CCNS(=O)(=O)[N-]c1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1	ZINC000095552839	562760767	/nfs/dbraw/zinc/76/07/67/562760767.db2.gz	PIJUSICWAKBTEZ-UHFFFAOYSA-N	-1	1	574.255	3.183	10	0		KGAEMM
O=S(=O)([N-]c1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1)NC1CC1	ZINC000095555387	562761480	/nfs/dbraw/zinc/76/14/80/562761480.db2.gz	LKOLDYBWXOYQMQ-UHFFFAOYSA-N	-1	1	586.266	3.325	10	0		KGAEMM
COc1c(Br)cc(Br)c(NC(=O)CSc2nc(N)cc(=O)[n-]2)c1Br	ZINC000103539657	555437851	/nfs/dbraw/zinc/43/78/51/555437851.db2.gz	WARZFOZLXMMTRJ-UHFFFAOYSA-N	-1	1	543.035	3.379	10	0		KGAEMM