smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1c(C)c2c([O-])c3c(cc2cc1OC)C(=O)c1cc(OC)cc(O)c1C3=O	ZINC000004654699	560198928	/nfs/dbraw/zinc/19/89/28/560198928.db2.gz	BXLGPMDGOMEFBX-UHFFFAOYSA-N	-1	3	422.389	3.139	10	10	in-vitro	HGCEHM
CC(=O)[C@]1(Br)CCc2c(O)c3c(c([O-])c2C1)C(=O)c1ccccc1C3=O	ZINC000034595807	569361602	/nfs/dbraw/zinc/36/16/02/569361602.db2.gz	WSWJVKWKQMRFGC-FQEVSTJZSA-N	-1	3	415.239	3.085	10	10		HGCEHM
CC(=O)[C@]1(Br)CCc2c([O-])c3c(c(O)c2C1)C(=O)c1ccccc1C3=O	ZINC000034595807	569361604	/nfs/dbraw/zinc/36/16/04/569361604.db2.gz	WSWJVKWKQMRFGC-FQEVSTJZSA-N	-1	3	415.239	3.085	10	10		HGCEHM
CC(=O)[C@@]1(Br)CCc2c(O)c3c(c([O-])c2C1)C(=O)c1ccccc1C3=O	ZINC000034595808	569361574	/nfs/dbraw/zinc/36/15/74/569361574.db2.gz	WSWJVKWKQMRFGC-HXUWFJFHSA-N	-1	3	415.239	3.085	10	10		HGCEHM
CC(=O)[C@@]1(Br)CCc2c([O-])c3c(c(O)c2C1)C(=O)c1ccccc1C3=O	ZINC000034595808	569361575	/nfs/dbraw/zinc/36/15/75/569361575.db2.gz	WSWJVKWKQMRFGC-HXUWFJFHSA-N	-1	3	415.239	3.085	10	10		HGCEHM
O=C(CCCN1C(=O)/C(=C\C=C/c2ccccc2)SC1=S)[N-]C1=NCCS1	ZINC000026779780	569056649	/nfs/dbraw/zinc/05/66/49/569056649.db2.gz	NBFBNFYNGRMZMD-OMKZRXKCSA-N	-1	3	417.581	3.443	10	10		HGCEHM