smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(/C=C2\SC(=S)N([C@@H](CC(=O)[O-])C(=O)[O-])C2=O)cc1OC	ZINC000016934473	204603516	/nfs/dbraw/zinc/60/35/16/204603516.db2.gz	SGRAOKUYBVXLOE-TXEUWIOXSA-N	-2	0	397.430	1.833	10	10		GDCERL
O=C([O-])C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S	ZINC000016934516	207079879	/nfs/dbraw/zinc/07/98/79/207079879.db2.gz	PLVIIJXTVJPPJH-QFQXNISHSA-N	-2	0	382.375	1.724	10	10		GDCERL
O=C([O-])C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S	ZINC000016934519	210199263	/nfs/dbraw/zinc/19/92/63/210199263.db2.gz	PLVIIJXTVJPPJH-JRZFIGEHSA-N	-2	0	382.375	1.724	10	10		GDCERL
O=C1/C(=C/c2cc([N+](=O)[O-])ccc2[O-])SC(=S)N1CCS(=O)(=O)[O-]	ZINC000016935694	210198998	/nfs/dbraw/zinc/19/89/98/210198998.db2.gz	BZRPWKDSBSAEDY-POHAHGRESA-N	-2	0	390.420	1.389	10	10		GDCERL