smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)O[C@H](CO)[C@@H](OC(C)=O)[C@@H](Cn1c2cc(C)c(C)cc2nc2c(=O)[nH]c(=O)nc1-2)OC(C)=O	ZINC000020356920	553642162	/nfs/dbraw/zinc/64/21/62/553642162.db2.gz	SHJHCYNZBLNVNV-GGPKGHCWSA-N	0	2	502.480	-0.011	10	5		KBBELN
CC(=O)O[C@H](CO)[C@H](OC(C)=O)[C@@H](Cn1c2cc(C)c(C)cc2nc2c(=O)[nH]c(=O)nc1-2)OC(C)=O	ZINC000020356922	553642269	/nfs/dbraw/zinc/64/22/69/553642269.db2.gz	SHJHCYNZBLNVNV-QWFCFKBJSA-N	0	2	502.480	-0.011	10	5		KBBELN
CC(=O)O[C@H](CO)[C@@H](OC(C)=O)[C@H](Cn1c2cc(C)c(C)cc2nc2c(=O)[nH]c(=O)nc1-2)OC(C)=O	ZINC000036015067	554135504	/nfs/dbraw/zinc/13/55/04/554135504.db2.gz	SHJHCYNZBLNVNV-NSHGMRRFSA-N	0	2	502.480	-0.011	10	5		KBBELN
CC(=O)O[C@H](CO)[C@H](OC(C)=O)[C@H](Cn1c2cc(C)c(C)cc2nc2c(=O)[nH]c(=O)nc1-2)OC(C)=O	ZINC000036015070	554135391	/nfs/dbraw/zinc/13/53/91/554135391.db2.gz	SHJHCYNZBLNVNV-NLWGTHIKSA-N	0	2	502.480	-0.011	10	5		KBBELN