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@H](C)C([O-])=C1C(=O)C(=O)C(CC=C(C)C)(CC=C(C)C)C1=O	ZINC000100772806	571817236	/nfs/dbraw/zinc/81/72/36/571817236.db2.gz	GDCZKZRPSCZJKH-LSDHHAIUSA-N	-1	1	332.440	3.638	1	10	endogenous,in-man	EHCFMM
CC[C@H](C)C(=O)C1=C([O-])C(=O)C(CC=C(C)C)(CC=C(C)C)C1=O	ZINC000100772806	571817240	/nfs/dbraw/zinc/81/72/40/571817240.db2.gz	GDCZKZRPSCZJKH-LSDHHAIUSA-N	-1	1	332.440	3.638	1	10	endogenous,in-man	EHCFMM
C[C@H]1Oc2c(c3oc(-c4ccccc4)cc(=O)c3c([O-])c2O)C1(C)C	ZINC000071295934	203091205	/nfs/dbraw/zinc/09/12/05/203091205.db2.gz	BMQYTTWLJMDLLS-SNVBAGLBSA-N	-1	1	338.359	3.930	1	10		EHCFMM
CC[C@H](C)C([O-])=C1C(=O)C(=O)C(CC=C(C)C)(CC=C(C)C)C1=O	ZINC000100772809	571817312	/nfs/dbraw/zinc/81/73/12/571817312.db2.gz	GDCZKZRPSCZJKH-GJZGRUSLSA-N	-1	1	332.440	3.638	1	10	endogenous,in-man	EHCFMM
CC[C@H](C)C(=O)C1=C([O-])C(=O)C(CC=C(C)C)(CC=C(C)C)C1=O	ZINC000100772809	571817313	/nfs/dbraw/zinc/81/73/13/571817313.db2.gz	GDCZKZRPSCZJKH-GJZGRUSLSA-N	-1	1	332.440	3.638	1	10	endogenous,in-man	EHCFMM
CC[C@@H](C)C([O-])=C1C(=O)C(=O)C(CC=C(C)C)(CC=C(C)C)C1=O	ZINC000100772803	571817325	/nfs/dbraw/zinc/81/73/25/571817325.db2.gz	GDCZKZRPSCZJKH-HUUCEWRRSA-N	-1	1	332.440	3.638	1	10	endogenous,in-man	EHCFMM
CC[C@@H](C)C(=O)C1=C([O-])C(=O)C(CC=C(C)C)(CC=C(C)C)C1=O	ZINC000100772803	571817326	/nfs/dbraw/zinc/81/73/26/571817326.db2.gz	GDCZKZRPSCZJKH-HUUCEWRRSA-N	-1	1	332.440	3.638	1	10	endogenous,in-man	EHCFMM
CCCOCc1cc(O)c([O-])c(Br)c1Br	ZINC000013450402	211559060	/nfs/dbraw/zinc/55/90/60/211559060.db2.gz	QHXQEXISFHGPRE-UHFFFAOYSA-N	-1	1	340.011	3.549	1	10		EHCFMM
COc1c(O)c(CC=C(C)C)cc2c([O-])c3c(=O)c(O)ccc-3oc21	ZINC000014763034	291001234	/nfs/dbraw/zinc/00/12/34/291001234.db2.gz	SABIIYLLDNDAHN-UHFFFAOYSA-N	-1	1	342.347	3.580	1	10	biogenic,in-vitro	EHCFMM
COc1cc2c(c3oc4cc([O-])c(O)cc4c(=O)c13)C=CC(C)(C)O2	ZINC000014780249	560226210	/nfs/dbraw/zinc/22/62/10/560226210.db2.gz	CSVZNKKSWFXPMC-UHFFFAOYSA-N	-1	1	340.331	3.550	1	10	biogenic,in-vitro	EHCFMM
CC[C@@H](C)C([O-])=C1C(=O)C(=O)C(CC=C(C)C)(CC=C(C)C)C1=O	ZINC000100772808	571817199	/nfs/dbraw/zinc/81/71/99/571817199.db2.gz	GDCZKZRPSCZJKH-CABCVRRESA-N	-1	1	332.440	3.638	1	10	endogenous,in-man	EHCFMM
CC[C@@H](C)C(=O)C1=C([O-])C(=O)C(CC=C(C)C)(CC=C(C)C)C1=O	ZINC000100772808	571817201	/nfs/dbraw/zinc/81/72/01/571817201.db2.gz	GDCZKZRPSCZJKH-CABCVRRESA-N	-1	1	332.440	3.638	1	10	endogenous,in-man	EHCFMM
CC1(C)CCC[C@]2(C)c3c(oc4c3cc(O)c([O-])c4C(N)=O)CC[C@@H]12	ZINC000066251495	215026420	/nfs/dbraw/zinc/02/64/20/215026420.db2.gz	DMLBHPHELLAETA-RBZFPXEDSA-N	-1	1	343.423	3.973	1	10		EHCFMM
CCCOCc1cc(Br)c(O)c([O-])c1Br	ZINC000040845245	213393804	/nfs/dbraw/zinc/39/38/04/213393804.db2.gz	KTJLBYXJBGMZCY-UHFFFAOYSA-N	-1	1	340.011	3.549	1	10		EHCFMM
CCCOCc1cc(Br)c([O-])c(O)c1Br	ZINC000040845245	213393807	/nfs/dbraw/zinc/39/38/07/213393807.db2.gz	KTJLBYXJBGMZCY-UHFFFAOYSA-N	-1	1	340.011	3.549	1	10		EHCFMM