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)=CCc1cc(O)c2oc3cccc([O-])c3c([O-])c-2c1=O	ZINC000014819775	560226808	/nfs/dbraw/zinc/22/68/08/560226808.db2.gz	ZXAITARLYXDVLJ-UHFFFAOYSA-N	-2	3	312.321	3.572	1	5	biogenic,in-vitro	DHBFHL
CC(C)=CCc1cc(O)c2oc3cccc(=O)c-3c([O-])c2c1[O-]	ZINC000014819775	560226810	/nfs/dbraw/zinc/22/68/10/560226810.db2.gz	ZXAITARLYXDVLJ-UHFFFAOYSA-N	-2	3	312.321	3.572	1	5	biogenic,in-vitro	DHBFHL
CC(C)=CCc1c([O-])cc2oc3c([O-])cccc3c(=O)c2c1O	ZINC000014819720	560226711	/nfs/dbraw/zinc/22/67/11/560226711.db2.gz	XEHWUYVZHDBZHK-UHFFFAOYSA-N	-2	3	312.321	3.572	1	5	biogenic,in-vitro	DHBFHL
CC1(C)C=Cc2c(cc([O-])c3c(=O)c4cccc([O-])c4oc23)O1	ZINC000013485105	560217477	/nfs/dbraw/zinc/21/74/77/560217477.db2.gz	XWRLBJDPJRDNKF-UHFFFAOYSA-N	-2	3	310.305	3.542	1	5	aggregator,biogenic,in-vitro	DHBFHL
CC1(C)C=Cc2c(c([O-])cc3oc4cccc(=O)c-4c([O-])c32)O1	ZINC000014768743	560226168	/nfs/dbraw/zinc/22/61/68/560226168.db2.gz	XLFLUEOTDUTLCF-UHFFFAOYSA-N	-2	3	310.305	3.542	1	5	biogenic,in-vitro	DHBFHL
CC(C)=CCc1ccc([O-])c2c([O-])c3c(=O)ccc(O)c-3oc12	ZINC000095485921	560061806	/nfs/dbraw/zinc/06/18/06/560061806.db2.gz	YKEDQEXCTYPOQM-UHFFFAOYSA-N	-2	3	312.321	3.572	1	5	biogenic,in-vitro	DHBFHL
CC(C)=CCc1ccc(=O)c2c([O-])c3c([O-])ccc(O)c3oc1-2	ZINC000095485921	560061807	/nfs/dbraw/zinc/06/18/07/560061807.db2.gz	YKEDQEXCTYPOQM-UHFFFAOYSA-N	-2	3	312.321	3.572	1	5	biogenic,in-vitro	DHBFHL