smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1ccccc1C(c1cc(Br)c([O-])c(Br)c1)c1cc(Br)c(O)c(Br)c1	ZINC000004792188	552485020	/nfs/dbraw/zinc/48/50/20/552485020.db2.gz	SACPOXDCLJOPIM-UHFFFAOYSA-N	-2	2	635.928	7.026	40	0		KKABLL
CCN(CC)c1ccc(C(c2c(C)[nH]n(-c3ccc(Cl)c(C(=O)[O-])c3)c2=O)c2c(C)[nH]n(-c3ccc(Cl)c(C(=O)[O-])c3)c2=O)c(OC)c1	ZINC000248246891	572256998	/nfs/dbraw/zinc/25/69/98/572256998.db2.gz	MQINUAGKDQSXAY-BKHFGAQXSA-N	-2	2	694.572	6.406	40	0		KKABLL
CCN(CC)c1ccc(C(c2c(C)[nH]n(-c3ccc(Cl)c(C(=O)[O-])c3)c2=O)c2c(C)[nH]n(-c3ccc(Cl)c(C(=O)[O-])c3)c2=O)c(OC)c1	ZINC000150399627	571477609	/nfs/dbraw/zinc/47/76/09/571477609.db2.gz	MQINUAGKDQSXAY-BWMKXQIXSA-N	-2	2	694.572	6.406	40	0		KKABLL
CCN(CC)c1ccc(C(c2c(C)[nH]n(-c3ccc(Cl)c(C(=O)[O-])c3)c2=O)c2c(C)[nH]n(-c3ccc(Cl)c(C(=O)[O-])c3)c2=O)c(OC)c1	ZINC000150399632	571477713	/nfs/dbraw/zinc/47/77/13/571477713.db2.gz	MQINUAGKDQSXAY-FQLXRVMXSA-N	-2	2	694.572	6.406	40	0		KKABLL
Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc43)cc2)cc1	ZINC000105260269	571392449	/nfs/dbraw/zinc/39/24/49/571392449.db2.gz	BSYGFUDYDYEBQK-UHFFFAOYSA-N	-2	2	571.680	6.002	40	0		KKABLL
CCN(CC)c1ccc(C(c2c(C)[nH]n(-c3ccc(Cl)c(C(=O)[O-])c3)c2=O)c2c(C)[nH]n(-c3ccc(Cl)c(C(=O)[O-])c3)c2=O)c(OC)c1	ZINC000150399624	571477603	/nfs/dbraw/zinc/47/76/03/571477603.db2.gz	MQINUAGKDQSXAY-VMPREFPWSA-N	-2	2	694.572	6.406	40	0		KKABLL