smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c(=O)cc2oc3c4c(c(C)c(O)c3c3c-2c1[C@H](C)[C@@H](C)O3)[C@H](C)[C@@H](C)OC4	ZINC000072179538	211081426	/nfs/dbraw/zinc/08/14/26/211081426.db2.gz	IMRZYAHXIQTVBH-DMTCVQMQSA-N	0	2	394.467	5.127	1	5		GKBFLN
CC(C)=CCC/C(C)=C/Cc1c(O)cc2oc3c(O)cccc3c(=O)c2c1O	ZINC000015120713	560098001	/nfs/dbraw/zinc/09/80/01/560098001.db2.gz	RJLWIAOXQDZMTB-GXDHUFHOSA-N	0	2	380.440	5.298	1	5	endogenous,in-man	GKBFLN
CC(C)=CCC/C(C)=C/Cc1c(=O)cc2oc3c(O)cccc3c(O)c-2c1O	ZINC000015120713	560098003	/nfs/dbraw/zinc/09/80/03/560098003.db2.gz	RJLWIAOXQDZMTB-GXDHUFHOSA-N	0	2	380.440	5.298	1	5	endogenous,in-man	GKBFLN
CC(C)=CCc1c(O)cc(O)c2c(=O)c3c(ccc(O)c3CC=C(C)C)oc12	ZINC000013108135	560213580	/nfs/dbraw/zinc/21/35/80/560213580.db2.gz	VGCAJFOJSSFOSL-UHFFFAOYSA-N	0	2	380.440	5.080	3	5	biogenic,in-vitro	GKBFLN
CC(C)=CCc1c(=O)cc(O)c2c(O)c3c(ccc(O)c3CC=C(C)C)oc1-2	ZINC000013108135	560213582	/nfs/dbraw/zinc/21/35/82/560213582.db2.gz	VGCAJFOJSSFOSL-UHFFFAOYSA-N	0	2	380.440	5.080	3	5	biogenic,in-vitro	GKBFLN
CC(C)=CCC/C(C)=C\Cc1c(O)cc(O)c2c(=O)c3cccc(O)c3oc12	ZINC000015120715	212117279	/nfs/dbraw/zinc/11/72/79/212117279.db2.gz	PCKHKINJZFNYEO-UVTDQMKNSA-N	0	2	380.440	5.298	1	5	endogenous,in-man	GKBFLN
CC(C)c1ccccc1Sc1c(O)cc(-c2ccc([N+](=O)[O-])cc2)oc1=O	ZINC000036124565	205007982	/nfs/dbraw/zinc/00/79/82/205007982.db2.gz	ZBESENVODTUUFD-UHFFFAOYSA-N	0	2	383.425	5.195	1	5		GKBFLN
CC(C)=CCc1c(O)c2c(O)c3cc(O)ccc3oc-2c(CC=C(C)C)c1=O	ZINC000014781094	221318315	/nfs/dbraw/zinc/31/83/15/221318315.db2.gz	CBJCQKZZWUEEQY-UHFFFAOYSA-N	0	2	380.440	5.080	1	5	biogenic,in-vitro	GKBFLN
CC(C)=CCc1c(O)c(CC=C(C)C)c2oc3ccc(O)cc3c(=O)c2c1O	ZINC000014781094	221318317	/nfs/dbraw/zinc/31/83/17/221318317.db2.gz	CBJCQKZZWUEEQY-UHFFFAOYSA-N	0	2	380.440	5.080	1	5	biogenic,in-vitro	GKBFLN
CC(C)=CCc1c(O)c2c(O)c3ccc(O)cc3oc-2c(CC=C(C)C)c1=O	ZINC000015252157	221334391	/nfs/dbraw/zinc/33/43/91/221334391.db2.gz	HHHZYUKPVCUMDR-UHFFFAOYSA-N	0	2	380.440	5.080	1	5	endogenous,in-man	GKBFLN
CC(C)=CCc1c(=O)cc2oc3c(ccc(O)c3CC=C(C)C)c(O)c-2c1O	ZINC000084671274	222319824	/nfs/dbraw/zinc/31/98/24/222319824.db2.gz	RVOQPECMPLUENG-UHFFFAOYSA-N	0	2	380.440	5.080	1	5		GKBFLN
CC(C)=CCC/C(C)=C/Cc1c(O)cc2oc3c(O)ccc(O)c3c(=O)c2c1O	ZINC000015120680	560097972	/nfs/dbraw/zinc/09/79/72/560097972.db2.gz	TWEXJIOSYZXWGT-NTUHNPAUSA-N	0	2	396.439	5.004	1	5	biogenic,in-vivo	GKBFLN