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)(O)C#Cc1ccc(CN2CCC[C@@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)cc1	ZINC000012279195	519329404	/nfs/dbraw/zinc/32/94/04/519329404.db2.gz	FIMDJFPAEZJMBK-XMMPIXPASA-N	1	3	464.679	4.167	10	30		JIEEHO
CC(C)(O)C#Cc1ccc(CN2CCC[C@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)cc1	ZINC000012279196	519329635	/nfs/dbraw/zinc/32/96/35/519329635.db2.gz	FIMDJFPAEZJMBK-DEOSSOPVSA-N	1	3	464.679	4.167	10	30		JIEEHO
COc1ccc(OC)c(-c2csc(-c3c(O)cn(C4CC[NH+](Cc5ccccc5)CC4)c3N)n2)c1	ZINC000034769658	569659024	/nfs/dbraw/zinc/65/90/24/569659024.db2.gz	HQFLNHDQGDUNSC-UHFFFAOYSA-N	1	3	490.629	4.004	10	30		JIEEHO