smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CC(C)(C)c1c(O)c2c(O)c3cc(CC=C(C)C)c(OC)c(O)c3oc-2cc1=O	ZINC000013412030	291282968	/nfs/dbraw/zinc/28/29/68/291282968.db2.gz	IKHDDMLXCAVEOK-UHFFFAOYSA-N	0	2	410.466	5.044	1	30	biogenic,in-vitro	HKEFLN
C=CC(C)(C)c1c(O)cc2oc3c(O)c(OC)c(CC=C(C)C)cc3c(=O)c2c1O	ZINC000013412030	291282970	/nfs/dbraw/zinc/28/29/70/291282970.db2.gz	IKHDDMLXCAVEOK-UHFFFAOYSA-N	0	2	410.466	5.044	1	30	biogenic,in-vitro	HKEFLN
CC(C)=CC(=O)c1cc([C@H](C)O[C@@H](C)c2ccc(O)c(C(=O)C=C(C)C)c2)ccc1O	ZINC000014635095	560223394	/nfs/dbraw/zinc/22/33/94/560223394.db2.gz	SHQGDKOMNRCQEQ-ROUUACIJSA-N	0	2	422.521	6.234	1	30	biogenic,in-vitro	HKEFLN
C=C(C)[C@H]1C[C@H](c2c(O)cc3oc4c(ccc(O)c4OC)c(=O)c3c2O)C(C)(C)C1	ZINC000014638107	560223371	/nfs/dbraw/zinc/22/33/71/560223371.db2.gz	GYBUSKWANOPNPI-GXTWGEPZSA-N	0	2	410.466	5.168	1	30	in-vitro	HKEFLN
C=C(C)[C@H]1C[C@H](c2c(O)c3c(O)c4ccc(O)c(OC)c4oc-3cc2=O)C(C)(C)C1	ZINC000014638107	560223373	/nfs/dbraw/zinc/22/33/73/560223373.db2.gz	GYBUSKWANOPNPI-GXTWGEPZSA-N	0	2	410.466	5.168	1	30	in-vitro	HKEFLN
C/C=C(\C)CC/C=C(\C)C(=O)O[C@@H]1CC2=C(OC1(C)C)C(=O)c1ccccc1C2=O	ZINC000014686371	291281124	/nfs/dbraw/zinc/28/11/24/291281124.db2.gz	FJJLEZNYBRUPKT-VMXGVUMBSA-N	0	2	408.494	5.123	1	30	biogenic,in-vitro	HKEFLN
CC(C)=CCc1c(O)c(CC=C(C)C)c(O)c(C(=O)/C=C/c2ccc(O)cc2)c1O	ZINC000014727501	571722643	/nfs/dbraw/zinc/72/26/43/571722643.db2.gz	DOJVDXBXUHQIRO-NTEUORMPSA-N	0	2	408.494	5.423	1	30	endogenous,in-man	HKEFLN
C=C1CCCC(C)(C)[C@H]1Cc1c(O)cc2oc(-c3ccc(O)c(O)c3)cc(O)c-2c1=O	ZINC000014825111	291282296	/nfs/dbraw/zinc/28/22/96/291282296.db2.gz	VCPZVNMTXCALPA-INIZCTEOSA-N	0	2	422.477	5.207	1	30	biogenic,in-vitro	HKEFLN
C=C1CCCC(C)(C)[C@H]1Cc1c(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c1O	ZINC000014825111	291282298	/nfs/dbraw/zinc/28/22/98/291282298.db2.gz	VCPZVNMTXCALPA-INIZCTEOSA-N	0	2	422.477	5.207	1	30	biogenic,in-vitro	HKEFLN
CC(C)=CCC/C(C)=C/Cc1c(O)cc(O)c(C(=O)/C=C/c2ccc(O)cc2)c1O	ZINC000015120649	571732422	/nfs/dbraw/zinc/73/24/22/571732422.db2.gz	GVXVZXDPRNGAOE-ZCFXJLACSA-N	0	2	408.494	5.640	1	30	endogenous,in-man	HKEFLN
C=C(C)[C@H](O)Cc1c2occ(-c3ccc(C)cc3)c(O)c-2c(O)c(CC=C(C)C)c1=O	ZINC000095099511	291281749	/nfs/dbraw/zinc/28/17/49/291281749.db2.gz	SHCCDOFTQHBUCP-OAQYLSRUSA-N	0	2	420.505	5.168	1	30	biogenic,in-vitro	HKEFLN