smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)CS(=O)(=O)F)[C@@H](C)O)[C@@H](C)CC	ZINC000095578502	562771265	/nfs/dbraw/zinc/77/12/65/562771265.db2.gz	WSKUBZDEQPJJBI-YNZBODFESA-N	0	0	552.710	0.764	1	70		KCIFRN
COc1cc2c(cc1OC)c(-c1ccc3c(c1)OCO3)c1c(c2O[C@@H]2OC[C@@H](OC)[C@H](OC)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)COC1=O	ZINC000160889754	562849110	/nfs/dbraw/zinc/84/91/10/562849110.db2.gz	JBVKVMLXAUHJEJ-LXOHQACASA-N	0	0	702.662	0.873	1	70		KCIFRN
CCCCCC[C@H]1OC(=O)CNC(=O)[C@H]([C@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@H](C)CC)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H]1C	ZINC000161397404	562849186	/nfs/dbraw/zinc/84/91/86/562849186.db2.gz	VFGBXFZXJAWPOE-PEOIOWGVSA-N	0	0	655.834	0.381	1	70		KCIFRN