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)c2c(=O)c(OC)c(-c3ccc(O)c(O)c3)oc2cc1OS(=O)(=O)[O-]	ZINC000014727316	291323608	/nfs/dbraw/zinc/32/36/08/291323608.db2.gz	AYBWPCJLKMIOED-UHFFFAOYSA-N	-1	1	426.355	1.776	1	10	biogenic,in-vitro	IDCFMM
O=C([O-])CNS(=O)(=O)c1cc(O)c(O)c2c1CN(Cc1ccc(F)c(Cl)c1)C2=O	ZINC000095563625	563182911	/nfs/dbraw/zinc/18/29/11/563182911.db2.gz	GQOOVRXTBCBZFS-UHFFFAOYSA-N	-1	1	444.824	1.409	1	10		IDCFMM
COc1cc(-c2oc3cc(=O)cc(O)c-3cc2O[C@H]2OC[C@H](O)[C@H](O)[C@H]2O)cc(O)c1O	ZINC000085531479	560073215	/nfs/dbraw/zinc/07/32/15/560073215.db2.gz	XYWFSSFJPFAYCA-YYKCRFIFSA-O	-1	1	449.388	1.030	1	10	biogenic,in-vitro	IDCFMM
COc1cc(-c2oc3cc([O-])cc(=O)c-3cc2O[C@H]2OC[C@H](O)[C@H](O)[C@H]2O)cc(O)c1O	ZINC000085531479	560073216	/nfs/dbraw/zinc/07/32/16/560073216.db2.gz	XYWFSSFJPFAYCA-YYKCRFIFSA-O	-1	1	449.388	1.030	1	10	biogenic,in-vitro	IDCFMM
COc1cc(-c2oc3cc(=O)cc([O-])c-3cc2O[C@H]2OC[C@H](O)[C@H](O)[C@H]2O)cc(O)c1O	ZINC000085531479	560073217	/nfs/dbraw/zinc/07/32/17/560073217.db2.gz	XYWFSSFJPFAYCA-YYKCRFIFSA-O	-1	1	449.388	1.030	1	10	biogenic,in-vitro	IDCFMM