smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1c(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(C)cc2c1C(=O)c1c([O-])cccc1C2=O	ZINC000014814120	571724268	/nfs/dbraw/zinc/72/42/68/571724268.db2.gz	JMDQOFZFOJHOMU-BUEVNKGESA-N	-1	3	446.408	-0.337	1	10	endogenous,in-man	IBCFHM
COc1c(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(C)cc2c1C(=O)c1c([O-])cccc1C2=O	ZINC000014814122	571724347	/nfs/dbraw/zinc/72/43/47/571724347.db2.gz	JMDQOFZFOJHOMU-FMEXUPJQSA-N	-1	3	446.408	-0.337	1	10	endogenous,in-man	IBCFHM
COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(C)cc2c1C(=O)c1c([O-])cccc1C2=O	ZINC000014814124	571724393	/nfs/dbraw/zinc/72/43/93/571724393.db2.gz	JMDQOFZFOJHOMU-YOOLAQTPSA-N	-1	3	446.408	-0.337	1	10	endogenous,in-man	IBCFHM
COc1c(O[C@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(C)cc2c1C(=O)c1c([O-])cccc1C2=O	ZINC000014814126	571724238	/nfs/dbraw/zinc/72/42/38/571724238.db2.gz	JMDQOFZFOJHOMU-AUFCTTSSSA-N	-1	3	446.408	-0.337	1	10	endogenous,in-man	IBCFHM
O=C1c2cccc(O)c2C(=O)c2c([O-])cc(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc21	ZINC000031430412	565107964	/nfs/dbraw/zinc/10/79/64/565107964.db2.gz	ASQHVCDULHERIH-JNHRPPPUSA-N	-1	3	432.381	-0.810	1	10	biogenic,in-vitro	IBCFHM
Cc1cc(O)c2c(c1)C(=O)c1cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc([O-])c1C2=O	ZINC000033830908	565108543	/nfs/dbraw/zinc/10/85/43/565108543.db2.gz	UBVJENDWBOVRBS-JNHRPPPUSA-N	-1	3	432.381	-0.640	1	10	biogenic,in-vitro	IBCFHM
COc1c(O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(C)cc2c1C(=O)c1c([O-])cccc1C2=O	ZINC000070454412	291306157	/nfs/dbraw/zinc/30/61/57/291306157.db2.gz	JMDQOFZFOJHOMU-QUOZZJQTSA-N	-1	3	446.408	-0.337	1	10	biogenic,in-vitro	IBCFHM
COc1cc([O-])c2c(c1)C(=O)c1cc(C)cc(O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)c1C2=O	ZINC000085487599	291306168	/nfs/dbraw/zinc/30/61/68/291306168.db2.gz	WLXGUTUUWXVZNM-TVTJTFRUSA-N	-1	3	446.408	-0.337	1	10	biogenic,in-vitro	IBCFHM
Cc1cc([O-])c2c(c1)C(=O)c1ccc3c(c1C2=O)O[C@]1(CC3)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000085568772	291307455	/nfs/dbraw/zinc/30/74/55/291307455.db2.gz	RRXYCHKFYFQOCJ-IBCJORNRSA-N	-1	3	442.420	-0.029	1	10	biogenic,in-vitro	IBCFHM
Cc1cc(O)c2c(c1)C(=O)c1cc(O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)cc([O-])c1C2=O	ZINC000095911179	560058284	/nfs/dbraw/zinc/05/82/84/560058284.db2.gz	UBVJENDWBOVRBS-GMIXLPSWSA-N	-1	3	432.381	-0.640	1	10	biogenic,in-vitro	IBCFHM
COc1c(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(C)cc2c1C(=O)c1c([O-])cccc1C2=O	ZINC000095911724	291306189	/nfs/dbraw/zinc/30/61/89/291306189.db2.gz	JMDQOFZFOJHOMU-OGGJQUTMSA-N	-1	3	446.408	-0.337	1	10	biogenic,in-vitro	IBCFHM