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(C(=O)C(C#N)=c2sc(=Cc3cc(Br)c([O-])c(Br)c3)c(=O)n2C[C@@H]2CCCO2)CC1	ZINC000514297770	1066243151	/nfs/dbraw/zinc/24/31/51/1066243151.db2.gz	SAIKCOIRDSELJR-INIZCTEOSA-N	0	1	626.371	1.987	20	30		KDEDMN
CC[NH+]1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(Br)c([O-])c(Br)c3)c(=O)n2C[C@H]2CCCO2)CC1	ZINC000514297773	1066243074	/nfs/dbraw/zinc/24/30/74/1066243074.db2.gz	SAIKCOIRDSELJR-MRXNPFEDSA-N	0	1	626.371	1.987	20	30		KDEDMN
CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)COc2ccc(C#N)cc2)CC1	ZINC000514380292	1066277669	/nfs/dbraw/zinc/27/76/69/1066277669.db2.gz	LDUQPZRGGOTRDS-UHFFFAOYSA-N	0	1	513.620	1.739	20	30		KDEDMN
CCN(CC)S(=O)(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)c1	ZINC000514389418	1066305825	/nfs/dbraw/zinc/30/58/25/1066305825.db2.gz	GJEOZHGIXPQHBS-UHFFFAOYSA-N	0	1	576.745	1.990	20	30		KDEDMN