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)cc(O)c2c(O)c3cc4c(c(O)c3oc1-2)OC(C)(C)C=C4	ZINC000014780145	210129593	/nfs/dbraw/zinc/12/95/93/210129593.db2.gz	KWJOUIWWNNDURW-UHFFFAOYSA-N	0	2	394.423	4.756	1	5		GJBFLN
CC(C)=CCc1c(O)cc(O)c2c(=O)c3cc4c(c(O)c3oc12)OC(C)(C)C=C4	ZINC000014780145	210129597	/nfs/dbraw/zinc/12/95/97/210129597.db2.gz	KWJOUIWWNNDURW-UHFFFAOYSA-N	0	2	394.423	4.756	1	5		GJBFLN
CC(C)(C)c1cc([N+](=O)[O-])cc(C(=O)Nc2ccccc2C(F)(F)F)c1O	ZINC000045301388	205093610	/nfs/dbraw/zinc/09/36/10/205093610.db2.gz	ZBNPZVDRVSTKFY-UHFFFAOYSA-N	0	2	382.338	4.869	1	5		GJBFLN
CC(C)=CCc1c(O)cc2oc3c(O)cc(O)c(CC=C(C)C)c3c(=O)c2c1O	ZINC000014727621	560225304	/nfs/dbraw/zinc/22/53/04/560225304.db2.gz	AVGUAOZYPIBDIZ-UHFFFAOYSA-N	0	2	396.439	4.786	1	5	in-vitro	GJBFLN
CC(C)=CCc1c(=O)cc2oc3c(O)cc(O)c(CC=C(C)C)c3c(O)c-2c1O	ZINC000014727621	560225306	/nfs/dbraw/zinc/22/53/06/560225306.db2.gz	AVGUAOZYPIBDIZ-UHFFFAOYSA-N	0	2	396.439	4.786	1	5	in-vitro	GJBFLN
CC(C)=CCc1c(O)cc2oc3cc(O)c4c(c3c(=O)c2c1O)C=CC(C)(C)O4	ZINC000015252160	571737372	/nfs/dbraw/zinc/73/73/72/571737372.db2.gz	HVXHJNVYRXRHNX-UHFFFAOYSA-N	0	2	394.423	4.756	1	5	endogenous,in-man	GJBFLN
CC(C)=CCc1c(=O)cc2oc3cc(O)c4c(c3c(O)c-2c1O)C=CC(C)(C)O4	ZINC000015252160	571737375	/nfs/dbraw/zinc/73/73/75/571737375.db2.gz	HVXHJNVYRXRHNX-UHFFFAOYSA-N	0	2	394.423	4.756	1	5	endogenous,in-man	GJBFLN
Cc1c2cc(Cl)ccc2sc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000013587568	221275952	/nfs/dbraw/zinc/27/59/52/221275952.db2.gz	ILLUDZQBWBKXQM-UHFFFAOYSA-N	0	2	382.850	4.572	1	5		GJBFLN
CC(C)=CCc1c(=O)cc2oc3cc(O)c4c(c3c(O)c-2c1O)CCC(C)(C)O4	ZINC000015252166	207050378	/nfs/dbraw/zinc/05/03/78/207050378.db2.gz	VEUQWGPUUYXBDE-UHFFFAOYSA-N	0	2	396.439	4.675	1	5	biogenic,in-vitro	GJBFLN
CC(C)=CCc1c(O)cc2oc3cc(O)c4c(c3c(=O)c2c1O)CCC(C)(C)O4	ZINC000015252166	207050381	/nfs/dbraw/zinc/05/03/81/207050381.db2.gz	VEUQWGPUUYXBDE-UHFFFAOYSA-N	0	2	396.439	4.675	1	5	biogenic,in-vitro	GJBFLN
CC(C)=CCc1c(=O)cc2oc3c(O)c4c(cc3c(O)c-2c1O)C=CC(C)(C)O4	ZINC000040896604	560078928	/nfs/dbraw/zinc/07/89/28/560078928.db2.gz	WONKAIBLCNOWOP-UHFFFAOYSA-N	0	2	394.423	4.756	1	5	biogenic,in-vitro	GJBFLN
CC(C)=CCc1c(O)cc2oc3c(O)c4c(cc3c(=O)c2c1O)C=CC(C)(C)O4	ZINC000040896604	560078930	/nfs/dbraw/zinc/07/89/30/560078930.db2.gz	WONKAIBLCNOWOP-UHFFFAOYSA-N	0	2	394.423	4.756	1	5	biogenic,in-vitro	GJBFLN
CC1(C)CC2(CC(C)(C)c3cc([N+](=O)[O-])c(O)cc32)c2cc(O)c([N+](=O)[O-])cc21	ZINC000026154851	207310291	/nfs/dbraw/zinc/31/02/91/207310291.db2.gz	ZHJVMMFKPYUQIQ-UHFFFAOYSA-N	0	2	398.415	4.563	1	5		GJBFLN