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(CC=C(C)C)c([O-])c(CC=C(C)C)c2oc1-c1ccc([O-])c(O)c1	ZINC000014727561	521773501	/nfs/dbraw/zinc/77/35/01/521773501.db2.gz	WKVKAWWZXXTJEH-UHFFFAOYSA-N	-3	3	452.503	5.308	10	10	biogenic,in-vitro	JKCEHL
CCCCCC(=O)Cc1cc([O-])c(O)c2c1C(=O)Oc1cc(O)c(C(=O)[O-])c(CCCCC)c1O2	ZINC000014654306	555837239	/nfs/dbraw/zinc/83/72/39/555837239.db2.gz	BQHHNAPTXQOPBW-UHFFFAOYSA-N	-2	3	486.517	5.251	10	10		JKCEHL
CC(C)=CCc1c(=O)cc2oc3c(CC=C(C)C)c([O-])c(O)c(CC=C(C)C)c3c([O-])c-2c1[O-]	ZINC000013108877	556306777	/nfs/dbraw/zinc/30/67/77/556306777.db2.gz	WVJYEKGQSBGNRP-UHFFFAOYSA-N	-3	3	464.558	6.295	10	10	endogenous,in-man	JKCEHL
CC(C)=CCCC(C)=CCc1c([O-])c(O)c2oc3cc([O-])cc(O)c3c(=O)c2c1CC=C(C)C	ZINC000038910211	560081690	/nfs/dbraw/zinc/08/16/90/560081690.db2.gz	BRKFTRQHPIQVNO-LICLKQGHSA-N	-2	3	464.558	6.513	10	10	biogenic,in-vitro	JKCEHL
CC(C)=CCc1c(=O)cc([O-])c2c([O-])c3c(CC=C(C)C)c(CC=C(C)C)c([O-])c(O)c3oc1-2	ZINC000014763947	519443573	/nfs/dbraw/zinc/44/35/73/519443573.db2.gz	HAHRYXGQWSJKPI-UHFFFAOYSA-N	-3	3	464.558	6.295	10	10	biogenic,in-vitro	JKCEHL
COc1c(=O)c2c([O-])cc([O-])c(CC=C(C)C)c2oc1-c1cc(O)c(O)c(CC=C(C)C)c1	ZINC000199432925	569873977	/nfs/dbraw/zinc/87/39/77/569873977.db2.gz	ZHPPCSQOTUZTHR-UHFFFAOYSA-N	-2	3	452.503	5.308	10	10		JKCEHL
COc1c(=O)c2c([O-])cc([O-])c(CC=C(C)C)c2oc1-c1cc(O)c([O-])c(CC=C(C)C)c1	ZINC000199432925	569873978	/nfs/dbraw/zinc/87/39/78/569873978.db2.gz	ZHPPCSQOTUZTHR-UHFFFAOYSA-N	-3	3	452.503	5.308	10	10		JKCEHL