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-])c1cc(Br)cc(Cc2cc(Br)cc(C(=O)[O-])c2O)c1O	ZINC000001700855	562924513	/nfs/dbraw/zinc/92/45/13/562924513.db2.gz	LWQWHZWYCPLAKB-UHFFFAOYSA-N	-2	0	446.047	3.610	10	0		IHAERL
O=C([O-])[C@@H]1C[C@H](c2ccccc2)CN1C(=O)C[P@@](=O)([O-])CCCCc1ccccc1	ZINC000040639667	563105709	/nfs/dbraw/zinc/10/57/09/563105709.db2.gz	BHKXPJWNFCSLET-SFTDATJTSA-N	-2	0	429.453	3.749	10	0		IHAERL
O=C([O-])CCCC(=O)Nc1ccc(Cc2ccc(NC(=O)CCCC(=O)[O-])cc2)cc1	ZINC000020457965	527576429	/nfs/dbraw/zinc/57/64/29/527576429.db2.gz	PBSBZSUAMWLTMW-UHFFFAOYSA-N	-2	0	426.469	3.664	10	0		IHAERL
C[C@H](CC(=O)[O-])[C@]1(C)CC=C2C(C(=O)[O-])=C(C[C@]34CC[C@H](O3)C(C)(C)C4=O)C[C@@H](O)[C@]21C	ZINC000034205088	571749854	/nfs/dbraw/zinc/74/98/54/571749854.db2.gz	XOLYVYHBERHQBZ-FMNVCWJRSA-N	-2	0	446.540	3.503	10	0	endogenous,in-man	IHAERL
CN(Cc1ccccc1)c1ncc([N-]S(=O)(=O)c2ccccc2Cl)cc1C(=O)[O-]	ZINC000035397362	523355104	/nfs/dbraw/zinc/35/51/04/523355104.db2.gz	HHYPOIKFFWGZIW-UHFFFAOYSA-N	-2	0	431.901	3.870	10	0		IHAERL
O=C([O-])[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)C[P@@](=O)([O-])CCCCc1ccccc1	ZINC000040466859	563103930	/nfs/dbraw/zinc/10/39/30/563103930.db2.gz	BHKXPJWNFCSLET-RTWAWAEBSA-N	-2	0	429.453	3.749	10	0		IHAERL
O=C([O-])c1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(Br)s1	ZINC000013268033	562985660	/nfs/dbraw/zinc/98/56/60/562985660.db2.gz	XPPVCOWWUWHKLI-UHFFFAOYSA-N	-2	0	441.122	3.772	10	0		IHAERL
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(Cl)ccc3[O-])cc2)n1	ZINC000073295863	563172069	/nfs/dbraw/zinc/17/20/69/563172069.db2.gz	HVJIRUFTZGFRCV-UHFFFAOYSA-N	-2	0	432.889	3.506	10	0		IHAERL