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-])cc2oc3c([O-])cc(O)c(CC=C(C)C)c3c(=O)c2c1O	ZINC000014727621	560225307	/nfs/dbraw/zinc/22/53/07/560225307.db2.gz	AVGUAOZYPIBDIZ-UHFFFAOYSA-N	-2	3	396.439	4.786	1	5	in-vitro	GJBFHL
CC(C)=CCc1c([O-])c2c([O-])c3c(=O)ccc(O)c-3oc2c2c1OC(C)(C)C=C2	ZINC000014610230	210121049	/nfs/dbraw/zinc/12/10/49/210121049.db2.gz	UTJUCKQNRWMQHF-UHFFFAOYSA-N	-2	3	394.423	4.756	1	5	biogenic,in-vitro	GJBFHL
CC(C)=CCc1c(=O)c2c([O-])c3c([O-])ccc(O)c3oc-2c2c1OC(C)(C)C=C2	ZINC000014610230	210121053	/nfs/dbraw/zinc/12/10/53/210121053.db2.gz	UTJUCKQNRWMQHF-UHFFFAOYSA-N	-2	3	394.423	4.756	1	5	biogenic,in-vitro	GJBFHL
CC(C)=CCC[C@]1(C)C=Cc2c([O-])c3c([O-])c4c(=O)ccc(O)c-4oc3cc2O1	ZINC000013335024	291139928	/nfs/dbraw/zinc/13/99/28/291139928.db2.gz	UHEJIRYUKLACET-HSZRJFAPSA-N	-2	3	394.423	4.974	1	5	biogenic,in-vitro	GJBFHL
CC(C)=CCC[C@]1(C)C=Cc2c(cc3oc4c(O)ccc([O-])c4c([O-])c-3c2=O)O1	ZINC000013335024	291139932	/nfs/dbraw/zinc/13/99/32/291139932.db2.gz	UHEJIRYUKLACET-HSZRJFAPSA-N	-2	3	394.423	4.974	1	5	biogenic,in-vitro	GJBFHL
CC(C)=CCC[C@@]1(C)C=Cc2c(cc([O-])c3c([O-])c4c(=O)ccc(O)c-4oc23)O1	ZINC000013375542	291139971	/nfs/dbraw/zinc/13/99/71/291139971.db2.gz	HFJSQHGZXHTCLI-QHCPKHFHSA-N	-2	3	394.423	4.974	1	5	biogenic,in-vitro	GJBFHL
CC(C)=CCC[C@@]1(C)C=Cc2c(cc(=O)c3c([O-])c4c([O-])ccc(O)c4oc2-3)O1	ZINC000013375542	291139973	/nfs/dbraw/zinc/13/99/73/291139973.db2.gz	HFJSQHGZXHTCLI-QHCPKHFHSA-N	-2	3	394.423	4.974	1	5	biogenic,in-vitro	GJBFHL
CC(C)=CCc1c(=O)cc2oc3cc([O-])c4c(c3c([O-])c-2c1[O-])C=CC(C)(C)O4	ZINC000015252160	571737378	/nfs/dbraw/zinc/73/73/78/571737378.db2.gz	HVXHJNVYRXRHNX-UHFFFAOYSA-N	-3	3	394.423	4.756	1	5	endogenous,in-man	GJBFHL
O=c1c2ccccc2oc2cc([O-])c(-c3c(O)ccc4ccc(O)cc43)c([O-])c12	ZINC000072178630	205317364	/nfs/dbraw/zinc/31/73/64/205317364.db2.gz	JCVXRBUJNBGXCH-UHFFFAOYSA-N	-2	3	386.359	4.589	1	5		GJBFHL
CC(C)=CCc1c2c(c([O-])c3c([O-])c4c(=O)ccc(O)c-4oc13)C=CC(C)(C)O2	ZINC000014768873	291139910	/nfs/dbraw/zinc/13/99/10/291139910.db2.gz	KHYADOQANYCBIQ-UHFFFAOYSA-N	-2	3	394.423	4.756	1	5	biogenic,in-vitro	GJBFHL
CC(C)=CCc1c2c(c(=O)c3c([O-])c4c([O-])ccc(O)c4oc1-3)C=CC(C)(C)O2	ZINC000014768873	291139913	/nfs/dbraw/zinc/13/99/13/291139913.db2.gz	KHYADOQANYCBIQ-UHFFFAOYSA-N	-2	3	394.423	4.756	1	5	biogenic,in-vitro	GJBFHL
CC1(C)C=Cc2c(cc(=O)c3c([O-])c4c(cc([O-])c5c4C=CC(C)(C)O5)oc2-3)O1	ZINC000013412018	291140336	/nfs/dbraw/zinc/14/03/36/291140336.db2.gz	SVAULSXFOCUPQP-UHFFFAOYSA-N	-2	3	392.407	4.726	1	5	biogenic,in-vitro	GJBFHL
COc1cccc2oc3c(Cl)c([O-])c([C@H]4CCC[C@@H](C)O4)c([O-])c3c(=O)c12	ZINC000040972698	209194974	/nfs/dbraw/zinc/19/49/74/209194974.db2.gz	MWYMVCYBLZZWPG-BXKDBHETSA-N	-2	3	390.819	4.650	1	5	in-vitro	GJBFHL
CC(C)=CCc1c2c(c3oc4c([O-])cccc4c(=O)c3c1[O-])C(C)(C)[C@@H](C)O2	ZINC000013382738	291139898	/nfs/dbraw/zinc/13/98/98/291139898.db2.gz	MSWPZQDOORASGL-GFCCVEGCSA-N	-2	3	380.440	4.925	1	5	biogenic,in-vitro	GJBFHL
CC(C)=CCc1c([O-])c2c(=O)c3cccc([O-])c3oc2c2c1OC(C)(C)CC2	ZINC000014610234	207025048	/nfs/dbraw/zinc/02/50/48/207025048.db2.gz	KNIWDQZUTDLRKZ-UHFFFAOYSA-N	-2	3	380.440	4.970	1	5	biogenic,in-vitro	GJBFHL
CC(C)=CCc1ccc([O-])c2oc3cc4c(c([O-])c3c(=O)c12)CCC(C)(C)O4	ZINC000014613748	207025193	/nfs/dbraw/zinc/02/51/93/207025193.db2.gz	ZNUHDTCPGJNVHM-UHFFFAOYSA-N	-2	3	380.440	4.970	1	5	biogenic,in-vitro	GJBFHL
CC(C)=CCc1c(=O)cc2oc3cc([O-])c4c(c3c([O-])c-2c1[O-])CCC(C)(C)O4	ZINC000015252166	207050385	/nfs/dbraw/zinc/05/03/85/207050385.db2.gz	VEUQWGPUUYXBDE-UHFFFAOYSA-N	-3	3	396.439	4.675	1	5	biogenic,in-vitro	GJBFHL