smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)=CCc1c([O-])cc([O-])c2c([O-])c3c(=O)ccc(O)c-3oc12	ZINC000014763063	560225780	/nfs/dbraw/zinc/22/57/80/560225780.db2.gz	JJNAUAFNZBCPHK-UHFFFAOYSA-N	-3	3	328.320	3.277	1	5	biogenic,in-vitro	EGBFHL
CC1(C)C=Cc2c(cc([O-])c3c([O-])c4c(=O)ccc(O)c-4oc23)O1	ZINC000013485106	560217483	/nfs/dbraw/zinc/21/74/83/560217483.db2.gz	DNDDIKJWKDKBAB-UHFFFAOYSA-N	-2	3	326.304	3.247	1	5	biogenic,in-vitro	EGBFHL
CC1(C)C=Cc2c(cc(=O)c3c([O-])c4c([O-])ccc(O)c4oc2-3)O1	ZINC000013485106	560217484	/nfs/dbraw/zinc/21/74/84/560217484.db2.gz	DNDDIKJWKDKBAB-UHFFFAOYSA-N	-2	3	326.304	3.247	1	5	biogenic,in-vitro	EGBFHL
COc1c(CC[C@H](C)C(=O)[O-])ccc2c(=O)c3c([O-])cccc3oc21	ZINC000014693242	560224587	/nfs/dbraw/zinc/22/45/87/560224587.db2.gz	BJXCLOCXKACHPQ-JTQLQIEISA-N	-2	3	342.347	3.314	1	5	biogenic,in-vitro	EGBFHL
COc1cc([O-])c2c(=O)c3cccc([O-])c3oc2c1CCC(C)(C)O	ZINC000014819739	560226627	/nfs/dbraw/zinc/22/66/27/560226627.db2.gz	BUVUUTYHRGVEBL-UHFFFAOYSA-N	-2	3	344.363	3.070	1	5	biogenic,in-vitro	EGBFHL
CCCc1cc([O-])c2c(=O)c3c([O-])cc(OC)cc3c(OC)c-2o1	ZINC000053313730	214176754	/nfs/dbraw/zinc/17/67/54/214176754.db2.gz	VZWQSVBLIULGBB-UHFFFAOYSA-N	-2	3	330.336	3.327	1	5		EGBFHL