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)=CCC/C(C)=C/Cc1cc(-c2cc(=O)c3c([O-])cc([O-])cc3o2)ccc1O	ZINC000005854072	291284721	/nfs/dbraw/zinc/28/47/21/291284721.db2.gz	UXXAQCSTQAIKEM-FRKPEAEDSA-N	-2	3	406.478	5.812	10	0	biogenic,in-vitro	HKAEHL
CC(C)=CCc1c(=O)cc([O-])c2c(O)c3c(oc1-2)-c1ccc([O-])cc1O[C@H]3C=C(C)C	ZINC000013429502	574413270	/nfs/dbraw/zinc/41/32/70/574413270.db2.gz	SYFDWXWLRGHYAJ-FQEVSTJZSA-N	-2	3	420.461	5.485	10	0	endogenous,in-man	HKAEHL
CC(C)=CCc1c(=O)cc([O-])c2c(O)c3c(oc1-2)-c1ccc([O-])cc1O[C@@H]3C=C(C)C	ZINC000013429504	574413266	/nfs/dbraw/zinc/41/32/66/574413266.db2.gz	SYFDWXWLRGHYAJ-HXUWFJFHSA-N	-2	3	420.461	5.485	10	0	endogenous,in-man	HKAEHL
CC(C)=CCc1c([O-])cc2occ(-c3ccc4c(c3)C=CC(C)(C)O4)c(=O)c2c1[O-]	ZINC000014558326	291286315	/nfs/dbraw/zinc/28/63/15/291286315.db2.gz	CUDNUXBRPAPDBJ-UHFFFAOYSA-N	-2	3	404.462	5.564	10	0	biogenic,in-vitro	HKAEHL
CC(C)=CCc1c([O-])cc2occ(-c3ccc4c(c3O)C=CC(C)(C)O4)c(=O)c2c1[O-]	ZINC000014558332	291286328	/nfs/dbraw/zinc/28/63/28/291286328.db2.gz	QQUXNFZAFOMGTQ-UHFFFAOYSA-N	-2	3	420.461	5.270	10	0	biogenic,in-vitro	HKAEHL
CC(C)=CCc1c([O-])cc2occ(-c3ccc4c(c3[O-])C=CC(C)(C)O4)c(=O)c2c1[O-]	ZINC000014558332	291286331	/nfs/dbraw/zinc/28/63/31/291286331.db2.gz	QQUXNFZAFOMGTQ-UHFFFAOYSA-N	-3	3	420.461	5.270	10	0	biogenic,in-vitro	HKAEHL
CC(C)=CCc1c(O)c2c(cc1-c1coc3cc([O-])cc([O-])c3c1=O)C=CC(C)(C)O2	ZINC000014679177	291285793	/nfs/dbraw/zinc/28/57/93/291285793.db2.gz	MXRSYAGBZPTIHM-UHFFFAOYSA-N	-2	3	420.461	5.270	10	0	biogenic,in-vitro	HKAEHL
CC(C)=CCc1cc(-c2oc3cc([O-])c(CC=C(C)C)c([O-])c3c(=O)c2O)ccc1[O-]	ZINC000014727563	291287347	/nfs/dbraw/zinc/28/73/47/291287347.db2.gz	XHCCZOWAHHBCAK-UHFFFAOYSA-N	-3	3	422.477	5.300	10	0	biogenic,in-vitro	HKAEHL
CC(C)=CCc1cc(-c2oc3c(CC=C(C)C)c([O-])cc([O-])c3c(=O)c2O)ccc1[O-]	ZINC000014727564	291287362	/nfs/dbraw/zinc/28/73/62/291287362.db2.gz	KNMMNUQOUANAJS-UHFFFAOYSA-N	-3	3	422.477	5.300	10	0	biogenic,in-vivo	HKAEHL
CC(C)=CCc1cc(-c2oc3c(CC=C(C)C)c([O-])cc([O-])c3c(=O)c2O)ccc1O	ZINC000014727564	291287363	/nfs/dbraw/zinc/28/73/63/291287363.db2.gz	KNMMNUQOUANAJS-UHFFFAOYSA-N	-2	3	422.477	5.300	10	0	biogenic,in-vivo	HKAEHL
CC(C)=CCc1cc(-c2cc(=O)c3c([O-])cc([O-])cc3o2)cc(CC=C(C)C)c1[O-]	ZINC000014780845	291287050	/nfs/dbraw/zinc/28/70/50/291287050.db2.gz	DOFKPAVSYGZVQD-UHFFFAOYSA-N	-3	3	406.478	5.594	10	0	endogenous,in-man	HKAEHL
CC(C)=CCc1cc(-c2coc3cc([O-])cc([O-])c3c2=O)cc(CC=C(C)C)c1O	ZINC000014780923	291287125	/nfs/dbraw/zinc/28/71/25/291287125.db2.gz	BGFLPCCZHOCCKB-UHFFFAOYSA-N	-2	3	406.478	5.594	10	0	biogenic	HKAEHL
CC(C)=CCc1cc(-c2coc3cc([O-])c(CC=C(C)C)c([O-])c3c2=O)ccc1O	ZINC000014780926	291287078	/nfs/dbraw/zinc/28/70/78/291287078.db2.gz	HTAZIHDXIUPDQP-UHFFFAOYSA-N	-2	3	406.478	5.594	10	0	biogenic,in-vitro	HKAEHL
CC(C)=CCc1cc(-c2coc3c(CC=C(C)C)c([O-])cc([O-])c3c2=O)ccc1O	ZINC000014780940	291287100	/nfs/dbraw/zinc/28/71/00/291287100.db2.gz	FXJPTJQFJYNFKC-UHFFFAOYSA-N	-2	3	406.478	5.594	10	0	biogenic,in-vitro	HKAEHL
CC(C)=C[C@@H]1Oc2cc([O-])ccc2-c2oc3c4c(cc(=O)c-3c([O-])c21)OC(C)(C)C=C4	ZINC000014951190	558681052	/nfs/dbraw/zinc/68/10/52/558681052.db2.gz	GDQXJMLXEYSICD-IBGZPJMESA-N	-2	3	418.445	5.455	10	0	endogenous,in-man	HKAEHL
CC(C)=C[C@H]1Oc2cc([O-])ccc2-c2oc3c4c(cc(=O)c-3c([O-])c21)OC(C)(C)C=C4	ZINC000014951196	558680940	/nfs/dbraw/zinc/68/09/40/558680940.db2.gz	GDQXJMLXEYSICD-LJQANCHMSA-N	-2	3	418.445	5.455	10	0	endogenous,in-man	HKAEHL
CC(C)=CCc1cc(-c2cc(=O)c3c([O-])cc([O-])c(CC=C(C)C)c3o2)ccc1O	ZINC000070454680	291287066	/nfs/dbraw/zinc/28/70/66/291287066.db2.gz	NZIDLHYOWGCCCH-UHFFFAOYSA-N	-2	3	406.478	5.594	10	0	biogenic,in-vitro	HKAEHL
CC(C)=CCc1c([O-])c(C(=O)CC(C)C)c([O-])c2c(-c3ccccc3)cc(=O)oc12	ZINC000095619153	291285830	/nfs/dbraw/zinc/28/58/30/291285830.db2.gz	JIFOADIANOIMSK-UHFFFAOYSA-N	-2	3	406.478	5.609	10	0	endogenous,in-man	HKAEHL