smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c(N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(C#N)c(=O)n(C)c1=O	ZINC000048361788	568441320	/nfs/dbraw/zinc/44/13/20/568441320.db2.gz	HPMKVEXDJIFQMR-UHFFFAOYSA-N	1	2	411.488	-2.430	50	30		HAEALO
CNC(=O)CN1CCN(c2nc(N3CC[NH+](CC(=O)NC)CC3)ccc2C#N)CC1	ZINC000170606582	569244803	/nfs/dbraw/zinc/24/48/03/569244803.db2.gz	PITVPSAJGROHLK-UHFFFAOYSA-N	1	2	414.514	-1.311	50	30		HAEALO
CC(C)[C@H]1NC(=O)CCNc2cc([nH+]c(NCCO)n2)CCNC(=O)[C@H](C)NC1=O	ZINC000952978659	1071778075	/nfs/dbraw/zinc/77/80/75/1071778075.db2.gz	UZYNRJLENPNQSK-BLLLJJGKSA-N	1	2	421.502	-1.635	50	30		HAEALO