smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ncn([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c1[S-]	ZINC000004879992	170035328	/nfs/dbraw/zinc/03/53/28/170035328.db2.gz	SQDMLEZDUJFDJR-TWLZVZROSA-N	-1	3	277.258	-1.309	40	5		CABBHM
Cn1c2nc3c(nc[n-]c3=O)nc2c(=O)n(C)c1=O	ZINC000000399845	372750133	/nfs/dbraw/zinc/75/01/33/372750133.db2.gz	AVDHPOWFUFYJBV-UHFFFAOYSA-N	-1	3	260.213	-1.324	40	5		CABBHM
O=[N+]([O-])c1ncn([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c1[S-]	ZINC000001713375	373632249	/nfs/dbraw/zinc/63/22/49/373632249.db2.gz	SQDMLEZDUJFDJR-RASXUPOOSA-N	-1	3	277.258	-1.309	40	5		CABBHM
O=[N+]([O-])c1ncn([C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c1[S-]	ZINC000004879990	170035635	/nfs/dbraw/zinc/03/56/35/170035635.db2.gz	SQDMLEZDUJFDJR-OHKRPGQBSA-N	-1	3	277.258	-1.309	40	5		CABBHM
O=[N+]([O-])c1ncn([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c1[S-]	ZINC000004879994	170035367	/nfs/dbraw/zinc/03/53/67/170035367.db2.gz	SQDMLEZDUJFDJR-RULRNXASSA-N	-1	3	277.258	-1.309	40	5		CABBHM