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-])c(C(=O)/C=C/c2ccc(O)cc2[O-])cc2c1OC(C)(C)C=C2	ZINC000013340701	291285802	/nfs/dbraw/zinc/28/58/02/291285802.db2.gz	XTHINBCPCUAECJ-JXMROGBWSA-N	-2	3	406.478	5.392	1	30	biogenic,in-vitro	HKEFHL
C=C(C)[C@H]1C[C@H](c2c([O-])c3c(O)c4ccc([O-])c(OC)c4oc-3cc2=O)C(C)(C)C1	ZINC000014638107	560223374	/nfs/dbraw/zinc/22/33/74/560223374.db2.gz	GYBUSKWANOPNPI-GXTWGEPZSA-N	-2	3	410.466	5.168	1	30	in-vitro	HKEFHL
C=C(C)[C@H]1C[C@H](c2c([O-])c3c([O-])c4ccc([O-])c(OC)c4oc-3cc2=O)C(C)(C)C1	ZINC000014638107	560223376	/nfs/dbraw/zinc/22/33/76/560223376.db2.gz	GYBUSKWANOPNPI-GXTWGEPZSA-N	-3	3	410.466	5.168	1	30	in-vitro	HKEFHL
CC(C)=CCc1c([O-])c(C(=O)/C=C/c2ccc(O)cc2)c([O-])c(CC=C(C)C)c1O	ZINC000014727501	571722646	/nfs/dbraw/zinc/72/26/46/571722646.db2.gz	DOJVDXBXUHQIRO-NTEUORMPSA-N	-2	3	408.494	5.423	1	30	endogenous,in-man	HKEFHL
CC(C)=CCC/C(C)=C/Cc1c([O-])ccc(C(=O)/C=C/c2ccc(O)c(O)c2)c1[O-]	ZINC000015120648	291284269	/nfs/dbraw/zinc/28/42/69/291284269.db2.gz	WWJVSOYKRSDSDN-PIRRJUBYSA-N	-2	3	408.494	5.640	1	30	endogenous,in-man	HKEFHL
CC(C)=CCC/C(C)=C/Cc1c(O)cc([O-])c(C(=O)/C=C/c2ccc(O)cc2)c1[O-]	ZINC000015120649	571732426	/nfs/dbraw/zinc/73/24/26/571732426.db2.gz	GVXVZXDPRNGAOE-ZCFXJLACSA-N	-2	3	408.494	5.640	1	30	endogenous,in-man	HKEFHL
CCCCCCCC/C=C\CCCCCCCC(=O)NCCCP(=O)([O-])[O-]	ZINC000038153239	541109111	/nfs/dbraw/zinc/10/91/11/541109111.db2.gz	OGYVFRIFTOYZBU-KTKRTIGZSA-N	-2	3	403.544	5.708	1	30		HKEFHL
COc1c(CC=C(C)C)c([O-])c(CC=C(C)C)c([O-])c1C(=O)/C=C\c1ccc(O)cc1	ZINC000085599525	291293399	/nfs/dbraw/zinc/29/33/99/291293399.db2.gz	HOTYOZVURUOVTK-GDNBJRDFSA-N	-2	3	422.521	5.726	1	30	biogenic,in-vitro	HKEFHL
C=C(C)[C@H](O)Cc1c([O-])c(CC=C(C)C)c([O-])c2c1occ(-c1ccc(C)cc1)c2=O	ZINC000095099511	291281752	/nfs/dbraw/zinc/28/17/52/291281752.db2.gz	SHCCDOFTQHBUCP-OAQYLSRUSA-N	-2	3	420.505	5.168	1	30	biogenic,in-vitro	HKEFHL