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/Cc1c(=O)cc2oc3cc([O-])c4c(c3c([O-])c-2c1[O-])C=CC(C)(C)O4	ZINC000013310993	560214205	/nfs/dbraw/zinc/21/42/05/560214205.db2.gz	VXBRNANXWNQRCY-CXUHLZMHSA-N	-3	3	462.542	6.482	1	5	biogenic,in-vitro	JKBFHL
CC(C)=CCc1c(=O)cc2oc3c(CC=C(C)C)c([O-])c4c(c3c([O-])c-2c1[O-])C=CC(C)(C)O4	ZINC000014768735	563006358	/nfs/dbraw/zinc/00/63/58/563006358.db2.gz	ADFJMFQSYNRLEH-UHFFFAOYSA-N	-3	3	462.542	6.265	1	5	biogenic,in-vitro	JKBFHL
COc1c([O-])cc2oc3cc(O)c(C/C=C(/C)CO)c(=O)c-3c([O-])c2c1CC=C(C)CCC=C(C)C	ZINC000038944516	563135878	/nfs/dbraw/zinc/13/58/78/563135878.db2.gz	BXFCPUCGPCDZKT-XXGRXQMWSA-N	-2	3	494.584	5.788	1	5	biogenic,in-vitro	JKBFHL
COc1c([O-])cc2oc3cc([O-])c(C/C=C(/C)CO)c(O)c3c(=O)c2c1C/C=C(\C)CCC=C(C)C	ZINC000038944516	563135879	/nfs/dbraw/zinc/13/58/79/563135879.db2.gz	BXFCPUCGPCDZKT-XXGRXQMWSA-N	-2	3	494.584	5.788	1	5	biogenic,in-vitro	JKBFHL
CC(C)=CCC[C@@]1(C)C=Cc2c(c([O-])cc3oc4cc(O)c(CC=C(C)C)c(=O)c-4c([O-])c32)O1	ZINC000013409903	560216459	/nfs/dbraw/zinc/21/64/59/560216459.db2.gz	QAHKVGNDCXMIJR-NDEPHWFRSA-N	-2	3	462.542	6.482	1	5	biogenic,in-vitro	JKBFHL
CC(C)=CCC[C@@]1(C)C=Cc2c(c([O-])cc3oc4cc([O-])c(CC=C(C)C)c(O)c4c(=O)c32)O1	ZINC000013409903	560216461	/nfs/dbraw/zinc/21/64/61/560216461.db2.gz	QAHKVGNDCXMIJR-NDEPHWFRSA-N	-2	3	462.542	6.482	1	5	biogenic,in-vitro	JKBFHL
CC(C)=CCc1c(=O)cc2oc3c(CC=C(C)C)c([O-])c4c(c3c([O-])c-2c1[O-])C[C@@H](O)C(C)(C)O4	ZINC000043079927	563166981	/nfs/dbraw/zinc/16/69/81/563166981.db2.gz	FSQCKCTZUMXJGJ-HXUWFJFHSA-N	-3	3	480.557	5.155	1	5		JKBFHL
CC(C)=CCCC(C)=CCc1c(O)cc([O-])c2oc3cc([O-])c(CC=C(C)C)c(O)c3c(=O)c12	ZINC000015120662	563011172	/nfs/dbraw/zinc/01/11/72/563011172.db2.gz	ZAXOSWZCOUYSSE-LICLKQGHSA-N	-2	3	464.558	6.513	1	5	in-vitro	JKBFHL
O=C([O-])[C@@H](O)CC(=O)c1cc([O-])ccc1NC(=O)CCCc1ccc2ccc3cccc4ccc1c2c34	ZINC000028713667	563077420	/nfs/dbraw/zinc/07/74/20/563077420.db2.gz	AVTNVZZTBGAZSU-SANMLTNESA-N	-2	3	495.531	5.269	1	5		JKBFHL
CC(C)=CCc1c(=O)cc2oc3c(CC=C(C)C)c([O-])c4c(c3c([O-])c-2c1[O-])C[C@H](O)C(C)(C)O4	ZINC000043079930	563166975	/nfs/dbraw/zinc/16/69/75/563166975.db2.gz	FSQCKCTZUMXJGJ-FQEVSTJZSA-N	-3	3	480.557	5.155	1	5		JKBFHL
CC(C)=CCC/C(C)=C/Cc1c([O-])c(CC=C(C)C)c2oc3c(O)ccc(=O)c-3c([O-])c2c1[O-]	ZINC000095485922	560061797	/nfs/dbraw/zinc/06/17/97/560061797.db2.gz	SYIJAIGFXDMIRQ-LICLKQGHSA-N	-3	3	464.558	6.513	1	5	biogenic,in-vitro	JKBFHL
COc1c([O-])cc2oc3cc(O)c(C/C=C(\C)CCC=C(C)C)c(=O)c-3c([O-])c2c1CC=C(C)C	ZINC000043025306	563165415	/nfs/dbraw/zinc/16/54/15/563165415.db2.gz	ABFFWBKBJIQSFF-WOJGMQOQSA-N	-2	3	478.585	6.816	1	5		JKBFHL
COc1c([O-])cc2oc3cc([O-])c(C/C=C(\C)CCC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C	ZINC000043025306	563165417	/nfs/dbraw/zinc/16/54/17/563165417.db2.gz	ABFFWBKBJIQSFF-WOJGMQOQSA-N	-2	3	478.585	6.816	1	5		JKBFHL
CC(C)=CCC/C(C)=C/Cc1c(=O)cc([O-])c2c(O)c3c(cc([O-])c4c3C=CC(C)(C)O4)oc1-2	ZINC000014829678	560227096	/nfs/dbraw/zinc/22/70/96/560227096.db2.gz	GOLPEIAEOMFCOY-CXUHLZMHSA-N	-2	3	462.542	6.482	1	5	biogenic,in-vitro	JKBFHL
CC(C)=CCC/C(C)=C/Cc1c(=O)cc([O-])c2c([O-])c3c(cc([O-])c4c3C=CC(C)(C)O4)oc1-2	ZINC000014829678	560227099	/nfs/dbraw/zinc/22/70/99/560227099.db2.gz	GOLPEIAEOMFCOY-CXUHLZMHSA-N	-3	3	462.542	6.482	1	5	biogenic,in-vitro	JKBFHL
COc1c([O-])c(CC=C(C)C)c2oc3cc([O-])c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C	ZINC000014763945	563006362	/nfs/dbraw/zinc/00/63/62/563006362.db2.gz	CYZRCBIQIBAFCQ-UHFFFAOYSA-N	-2	3	478.585	6.598	1	5		JKBFHL
CC(C)=CCC/C(C)=C\Cc1c(=O)cc2oc3cc([O-])c4c(c3c([O-])c-2c1[O-])C=CC(C)(C)O4	ZINC000095485928	560061935	/nfs/dbraw/zinc/06/19/35/560061935.db2.gz	VXBRNANXWNQRCY-SXGWCWSVSA-N	-3	3	462.542	6.482	1	5	biogenic,in-vitro	JKBFHL
COc1c([O-])cc2oc3cc(O)c(CC=C(C)C)c(=O)c-3c([O-])c2c1CC=C(C)CCC=C(C)C	ZINC000036413522	563130062	/nfs/dbraw/zinc/13/00/62/563130062.db2.gz	GVDDDYKLKUMEGV-WOJGMQOQSA-N	-2	3	478.585	6.816	1	5	biogenic,in-vitro	JKBFHL
COc1c([O-])cc2oc3cc([O-])c(CC=C(C)C)c(O)c3c(=O)c2c1C/C=C(\C)CCC=C(C)C	ZINC000036413522	563130063	/nfs/dbraw/zinc/13/00/63/563130063.db2.gz	GVDDDYKLKUMEGV-WOJGMQOQSA-N	-2	3	478.585	6.816	1	5	biogenic,in-vitro	JKBFHL
CC(C)=CCc1c2c(c([O-])c3oc4cc5c(c([O-])c4c(=O)c13)C=CC(C)(C)O5)C=CC(C)(C)O2	ZINC000015252012	560096984	/nfs/dbraw/zinc/09/69/84/560096984.db2.gz	SSITWAPGVBPANU-UHFFFAOYSA-N	-2	3	460.526	6.235	1	5	endogenous,in-man	JKBFHL