smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(COC(=O)c3cn(CCF)c4c(F)c(N5CC[NH+](C)CC5)c(F)cc4c3=O)CS[C@H]12)c1csc(N)n1	ZINC000095606199	562781960	/nfs/dbraw/zinc/78/19/60/562781960.db2.gz	IKYGJSBKPPIKJK-YZURVANNSA-N	0	2	764.765	0.986	10	30		KCEELN
C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)c(NC(=O)C[NH+]5CCCC5)cc(F)c4C[C@H]3C[C@@H]12	ZINC000200151468	571569222	/nfs/dbraw/zinc/56/92/22/571569222.db2.gz	AKLMFDDQCHURPW-ISIOAQNYSA-N	0	2	558.563	0.137	10	30		KCEELN