smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)c1ccc(OS(=O)(=O)[O-])cn1	ZINC000022061201	555868042	/nfs/dbraw/zinc/86/80/42/555868042.db2.gz	WAGUBJKZLRLKGR-HNNXBMFYSA-N	-1	2	453.498	1.673	10	0	in-man	JDAELM
COc1c(N2C[C@@H]3CCCN(S(=O)(=O)[O-])[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c21	ZINC000065747896	569676574	/nfs/dbraw/zinc/67/65/74/569676574.db2.gz	NOSMZVFHCRCXNK-MEDUHNTESA-N	-1	2	481.502	1.886	10	0	in-vitro	JDAELM
CN(CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)c1ccc(OS(=O)(=O)[O-])cn1	ZINC000022061204	555867918	/nfs/dbraw/zinc/86/79/18/555867918.db2.gz	WAGUBJKZLRLKGR-OAHLLOKOSA-N	-1	2	453.498	1.673	10	0	in-man	JDAELM