smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCn1c2c(nc(N)[n-]c2=O)n([C@@H]2O[C@H](CO)[C@H]3O[C@@](C)(CCC(=O)[O-])O[C@H]32)c1=O	ZINC000027180749	563040093	/nfs/dbraw/zinc/04/00/93/563040093.db2.gz	CGQLSGVUMBJUAT-PPWQNNAFSA-N	-2	1	437.409	-1.091	1	30		IAEFML
C=CCn1c2c(nc(N)[n-]c2=O)n([C@@H]2O[C@H](CO)[C@H]3O[C@](C)(CCC(=O)[O-])O[C@H]32)c1=O	ZINC000027180754	563040100	/nfs/dbraw/zinc/04/01/00/563040100.db2.gz	CGQLSGVUMBJUAT-FPHVUNAPSA-N	-2	1	437.409	-1.091	1	30		IAEFML
C=CCO[C@]1(C(=O)[O-])C[C@H](O[P@](C)(=O)[O-])[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O1	ZINC000072106060	563163003	/nfs/dbraw/zinc/16/30/03/563163003.db2.gz	VHKHQPRABCPGKJ-AOWZIMASSA-N	-2	1	427.343	-1.822	1	30		IAEFML
C=CCO[C@]1(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO[P@](C)(=O)[O-])O1	ZINC000072112502	563163447	/nfs/dbraw/zinc/16/34/47/563163447.db2.gz	BSTJAUBSLQGFEN-FSTWUICMSA-N	-2	1	427.343	-1.822	1	30		IAEFML