smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C1=C[C@@H]([N-]S(=O)(=O)c2cccs2)[C@@H](O)[C@H](O)C1	ZINC000004221810	526993540	/nfs/dbraw/zinc/99/35/40/526993540.db2.gz	GTDLAZLGAWBYHT-KYHPRHEASA-N	-1	3	481.552	-0.635	10	0		JBAEHM
CC(=O)OC[C@H]1O[C@@H](n2cc(I)c(=O)[n-]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000034656805	569640227	/nfs/dbraw/zinc/64/02/27/569640227.db2.gz	WPIWKTDTMIYODW-HKUMRIAESA-N	-1	3	496.210	-0.535	10	0		JBAEHM
COc1ccc2c3c1O[C@H]1C[C@@H](O[C@H]4O[C@@H](C(=O)[O-])[C@H](O)[C@@H](O)[C@@H]4O)C=C[C@@]31CCN(C)C2	ZINC000077293005	569705822	/nfs/dbraw/zinc/70/58/22/569705822.db2.gz	YWSWSACTOVQVLT-PWLISGMRSA-N	-1	3	463.483	-0.233	10	0	in-vitro	JBAEHM
CC(=O)OC[C@H]1O[C@@H](n2cc(I)c(=O)[n-]c2=O)[C@H](F)[C@@H]1OC(C)=O	ZINC000204967469	569874032	/nfs/dbraw/zinc/87/40/32/569874032.db2.gz	NKKIVBSOBGMPNP-DNRKLUKYSA-N	-1	3	456.164	-0.129	10	0		JBAEHM