smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)c1[n-][n-]c2c(O)n(-c3ccc(C#N)cc3)c(=O)c1-2	ZINC000004170801	181081559	/nfs/dbraw/zinc/08/15/59/181081559.db2.gz	JCSAIYGGCSTABQ-GHMZBOCLSA-N	-2	3	312.285	-0.061	50	30		DBEAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3ccc(C#N)cc3)c(=O)c1-2	ZINC000100712824	411683227	/nfs/dbraw/zinc/68/32/27/411683227.db2.gz	JCSAIYGGCSTABQ-MNOVXSKESA-N	-2	3	312.285	-0.061	50	30		DBEAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3ccc(C#N)cc3)c(=O)c1-2	ZINC000100712813	411682360	/nfs/dbraw/zinc/68/23/60/411682360.db2.gz	JCSAIYGGCSTABQ-WDEREUQCSA-N	-2	3	312.285	-0.061	50	30		DBEAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3ccc(C#N)cc3)c(=O)c1-2	ZINC000100712819	411682650	/nfs/dbraw/zinc/68/26/50/411682650.db2.gz	JCSAIYGGCSTABQ-QWRGUYRKSA-N	-2	3	312.285	-0.061	50	30		DBEAHL