smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)COc2ccc(C#N)cc2)CC1	ZINC000514380292	1066277652	/nfs/dbraw/zinc/27/76/52/1066277652.db2.gz	LDUQPZRGGOTRDS-UHFFFAOYSA-N	1	0	513.620	1.739	20	30		KDEDRO
CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)c1	ZINC000514389418	1066305810	/nfs/dbraw/zinc/30/58/10/1066305810.db2.gz	GJEOZHGIXPQHBS-UHFFFAOYSA-N	1	0	576.745	1.990	20	30		KDEDRO
C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000514391460	1066313045	/nfs/dbraw/zinc/31/30/45/1066313045.db2.gz	KEZFEANKEQPOQP-UHFFFAOYSA-N	1	0	548.735	1.922	20	30		KDEDRO