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-])c1ccc(/C(=N/N=C(/c2ccccc2)c2ccc(C(=O)[O-])cc2)c2ccccc2)cc1	ZINC000020508489	526360584	/nfs/dbraw/zinc/36/05/84/526360584.db2.gz	DGSUQHNXYJJRAX-ZUSIYWPSSA-N	-2	0	448.478	5.373	10	30		IKEERL
CCCCCCCCCCCCCCCCCC(=O)OCC(=O)COP(=O)([O-])[O-]	ZINC000008218899	571692076	/nfs/dbraw/zinc/69/20/76/571692076.db2.gz	GTPATKZCXDKGQS-UHFFFAOYSA-N	-2	0	436.526	5.470	10	30	endogenous,in-man	IKEERL
CCCCCCCCCCCCCCCCCCNC(=O)C[C@H](C(=O)[O-])S(=O)(=O)[O-]	ZINC000100049946	519994819	/nfs/dbraw/zinc/99/48/19/519994819.db2.gz	KVQVUCIQVFGPMS-HXUWFJFHSA-N	-2	0	449.654	5.095	10	30		IKEERL
CCCCCCCCCCCCCCCCCCOC(=O)C[C@@](O)(CC(=O)[O-])C(=O)[O-]	ZINC000060248715	519996289	/nfs/dbraw/zinc/99/62/89/519996289.db2.gz	REVZBRXEBPWDRA-DEOSSOPVSA-N	-2	0	444.609	5.472	10	30	endogenous,in-man	IKEERL
CCCCCCCC/C=C\CCCCCCCC(=O)OCC(=O)COP(=O)([O-])[O-]	ZINC000008218750	560207287	/nfs/dbraw/zinc/20/72/87/560207287.db2.gz	YZKFNNQAEBNCEN-KTKRTIGZSA-N	-2	0	434.510	5.246	10	30	in-vitro	IKEERL
CCCCCCCCCCCCCCCCCCOC(=O)C[C@](O)(CC(=O)[O-])C(=O)[O-]	ZINC000060248718	519995912	/nfs/dbraw/zinc/99/59/12/519995912.db2.gz	REVZBRXEBPWDRA-XMMPIXPASA-N	-2	0	444.609	5.472	10	30	endogenous,in-man	IKEERL