smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1[n-]c(=O)n([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])[O-])O2)cc1I	ZINC000012501916	562982624	/nfs/dbraw/zinc/98/26/24/562982624.db2.gz	WXFYBFRZROJDLL-RRKCRQDMSA-N	-3	3	434.079	-0.689	10	0	in-vivo,metabolite	IBAEHL
CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)[O-])C(=O)[O-]	ZINC000013805260	556743243	/nfs/dbraw/zinc/74/32/43/556743243.db2.gz	WOKXEQLPBLLWHC-IHRRRGAJSA-N	-2	3	427.479	-0.456	10	0		IBAEHL
CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C(C)C	ZINC000029123719	563074053	/nfs/dbraw/zinc/07/40/53/563074053.db2.gz	SZNGISRDKLUUNN-YLXLXVFQSA-N	-2	3	430.502	-0.561	10	0		IBAEHL
CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C(C)C	ZINC000029123775	563074010	/nfs/dbraw/zinc/07/40/10/563074010.db2.gz	WLJWJOQWLPAHIE-YLXLXVFQSA-N	-2	3	430.502	-0.561	10	0		IBAEHL