smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(O)c2c(c1)C(=O)c1cc(C)c(O)cc1C2=O	ZINC000006070415	361334309	/nfs/dbraw/zinc/33/43/09/361334309.db2.gz	FKTPLNFTYJEAAB-UHFFFAOYSA-N	-2	0	284.267	2.190	10	10		CECERL
COc1cc(=O)c2c([O-])c3cc(O)c([O-])cc3oc-2c1	ZINC000006483558	170204881	/nfs/dbraw/zinc/20/48/81/170204881.db2.gz	IFNAQIAMTNJLIF-UHFFFAOYSA-N	-2	0	274.228	2.072	10	10	in-vitro	CECERL
O=C([O-])c1cccc([S-])c1I	ZINC000211506322	304035217	/nfs/dbraw/zinc/03/52/17/304035217.db2.gz	PNHIDKLYULTZAK-UHFFFAOYSA-N	-2	0	280.086	2.090	10	10		CECERL
O=C([O-])C1(C(=O)[O-])SCC=C1N=Nc1ccsc1	ZINC000584661743	344974949	/nfs/dbraw/zinc/97/49/49/344974949.db2.gz	WAZSZZZPCBAYCK-CCDRKZJDSA-N	-2	0	284.318	2.369	10	10		CECERL
O=C([O-])C1(C(=O)[O-])SCC=C1N=Nc1ccsc1	ZINC000584661749	344974959	/nfs/dbraw/zinc/97/49/59/344974959.db2.gz	WAZSZZZPCBAYCK-LRYPNONWSA-N	-2	0	284.318	2.369	10	10		CECERL