smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOCCCn1c(=O)c(=Cc2cc(Br)c([O-])c(Br)c2)sc1=C(C#N)C(=O)N1CCOCC1	ZINC000514296027	1066232331	/nfs/dbraw/zinc/23/23/31/1066232331.db2.gz	FGAPKKIVPPCROG-UHFFFAOYSA-N	-1	0	601.317	1.929	20	30		KDEDRM
CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(Br)c([O-])c(Br)c3)c(=O)n2C[C@@H]2CCCO2)CC1	ZINC000514297770	1066243134	/nfs/dbraw/zinc/24/31/34/1066243134.db2.gz	SAIKCOIRDSELJR-INIZCTEOSA-N	-1	0	626.371	1.987	20	30		KDEDRM
CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(Br)c([O-])c(Br)c3)c(=O)n2C[C@H]2CCCO2)CC1	ZINC000514297773	1066243049	/nfs/dbraw/zinc/24/30/49/1066243049.db2.gz	SAIKCOIRDSELJR-MRXNPFEDSA-N	-1	0	626.371	1.987	20	30		KDEDRM
COc1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CCN3CCOCC3)c2=O)cc(Br)c1O	ZINC000514402727	1066324435	/nfs/dbraw/zinc/32/44/35/1066324435.db2.gz	LKCNQBLNDXXLBE-UHFFFAOYSA-N	-1	0	550.475	1.837	20	30		KDEDRM
C=C[C@@H]1C[C@]1(Nc1nc2cc(S(=O)(=O)N(C)C)ccc2nc1Cl)C(=O)[N-]S(=O)(=O)C1CC1	ZINC001170743976	1066356241	/nfs/dbraw/zinc/35/62/41/1066356241.db2.gz	CRZQNDXRMOALLR-NSPYISDASA-N	-1	0	500.002	1.499	20	30		KDEDRM