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-])c1cc(/N=C/c2cc(Cl)cc(Cl)c2O)ccc1/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000016133971	527326756	/nfs/dbraw/zinc/32/67/56/527326756.db2.gz	XXVWOVXLYQBAQS-OKZXBJAASA-N	-1	2	499.137	7.121	10	30		JKEELM
CCCCCCCCCCCCCCCC[S@+](C)CC(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000043569739	563170485	/nfs/dbraw/zinc/17/04/85/563170485.db2.gz	DEZBXKUVBSMQJM-MUUNZHRXSA-O	-1	2	461.562	5.397	10	30		JKEELM
CCCCCCCCCCCCCCCC[S@+](C)CC(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000043569739	563170486	/nfs/dbraw/zinc/17/04/86/563170486.db2.gz	DEZBXKUVBSMQJM-MUUNZHRXSA-O	-1	2	461.562	5.397	10	30		JKEELM
O=[N+]([O-])c1cc(Cc2ccccc2)cc(/C=N/c2ccc(O)c(-c3nc4ccccc4o3)c2)c1[O-]	ZINC000001947780	554006010	/nfs/dbraw/zinc/00/60/10/554006010.db2.gz	YMCNBPHHUGOEJP-LQKURTRISA-N	-1	2	465.465	6.156	10	30		JKEELM
CCCCCCCCCCCCCCCC[S@@+](C)CC(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000043569737	563170491	/nfs/dbraw/zinc/17/04/91/563170491.db2.gz	DEZBXKUVBSMQJM-NDEPHWFRSA-O	-1	2	461.562	5.397	10	30		JKEELM
CCCCCCCCCCCCCCCC[S@@+](C)CC(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000043569737	563170492	/nfs/dbraw/zinc/17/04/92/563170492.db2.gz	DEZBXKUVBSMQJM-NDEPHWFRSA-O	-1	2	461.562	5.397	10	30		JKEELM