smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1c(O)cc([C@@H](Cc2cc(O)c([O-])c(Br)c2Br)C(=O)[O-])cc1Br	ZINC000044417635	562657156	/nfs/dbraw/zinc/65/71/56/562657156.db2.gz	FUZVJQBFHDTDIO-MRVPVSSYSA-N	-2	1	540.986	4.510	1	10		KJCFML
COc1c(O)cc([C@H](Cc2cc(O)c([O-])c(Br)c2Br)C(=O)[O-])cc1Br	ZINC000044417639	562657163	/nfs/dbraw/zinc/65/71/63/562657163.db2.gz	FUZVJQBFHDTDIO-QMMMGPOBSA-N	-2	1	540.986	4.510	1	10		KJCFML
CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c([O-])c(NC(=O)c4cc(CC=C(C)C)c([O-])c(CN(C)C(=O)C(C)(C)C)c4)c(=O)oc3c2C)OC1(C)C	ZINC000072126239	562725280	/nfs/dbraw/zinc/72/52/80/562725280.db2.gz	QZTRQALLHJUDKH-KGXZHFCSSA-N	-2	1	739.819	4.632	1	10		KJCFML
CC(C)Cc1ccc([C@@H](C)C(=O)OCCOCCOCCOC(=O)c2cc([O-])c3c(c2)C(=O)c2cccc(O)c2C3=O)cc1	ZINC000084654281	562747204	/nfs/dbraw/zinc/74/72/04/562747204.db2.gz	JCZKDKSPKPKWOI-OAQYLSRUSA-N	-2	1	604.652	4.609	1	10		KJCFML
CC(C)Cc1ccc([C@H](C)C(=O)OCCOCCOCCOC(=O)c2cc([O-])c3c(c2)C(=O)c2cccc(O)c2C3=O)cc1	ZINC000084654284	562747198	/nfs/dbraw/zinc/74/71/98/562747198.db2.gz	JCZKDKSPKPKWOI-NRFANRHFSA-N	-2	1	604.652	4.609	1	10		KJCFML
CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c([O-])c(NC(=O)c4cc(CC=C(C)C)c([O-])c(CN(C)C(=O)c5ccccc5)c4)c(=O)oc3c2C)OC1(C)C	ZINC000095539732	562755225	/nfs/dbraw/zinc/75/52/25/562755225.db2.gz	WGIUJODIQGEXLC-FOBXNBQISA-N	-2	1	759.809	4.899	1	10		KJCFML
COc1c([O-])cc2oc3c(CN4CCOCC4)c([O-])c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C	ZINC000299871382	562895684	/nfs/dbraw/zinc/89/56/84/562895684.db2.gz	YIEDHDCGAKQZDJ-UHFFFAOYSA-N	-2	1	509.599	4.921	1	10		KJCFML