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-])c1c(Br)c([O-])c(Cc2c(O)c(Br)c(C(=O)[O-])c(Br)c2O)c(O)c1Br	ZINC000004264716	552454335	/nfs/dbraw/zinc/45/43/35/552454335.db2.gz	MAFSLEDPJUJAOG-UHFFFAOYSA-N	-3	2	635.837	4.546	40	0		KJABLL
CCOc1cc(C(c2c(C)[nH]n(-c3ccc(C(=O)[O-])cc3)c2=O)c2c(C)[nH]n(-c3ccc(C(=O)[O-])cc3)c2=O)ccc1O	ZINC000100982636	554547874	/nfs/dbraw/zinc/54/78/74/554547874.db2.gz	MKXOVEAUBPKTNH-UHFFFAOYSA-N	-2	2	584.585	4.767	40	0		KJABLL
O=C([O-])c1c(Br)c(Br)c(Br)c(Br)c1S(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2ncccn2)cc1	ZINC000150405308	571479165	/nfs/dbraw/zinc/47/91/65/571479165.db2.gz	ZQPLUQLVNOFZFE-UHFFFAOYSA-N	-2	2	750.039	4.826	40	0		KJABLL