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)=CCC/C(C)=C/Cc1c(=O)cc([O-])c2c(O)c3c(CC=C(C)C)cc([O-])c(O)c3oc1-2	ZINC000014829676	560227121	/nfs/dbraw/zinc/22/71/21/560227121.db2.gz	QAOGQIBMQCOARS-LICLKQGHSA-N	-2	1	464.558	6.513	1	10	biogenic,in-vitro	JKCFML
O=C([O-])c1ccccc1-c1cccc(C(=O)Nc2ccc(CCc3ccc(O)c(O)c3)cc2)c1[O-]	ZINC000028091412	563055677	/nfs/dbraw/zinc/05/56/77/563055677.db2.gz	YXLCZJBHYSUHHY-UHFFFAOYSA-N	-2	1	469.493	5.206	1	10		JKCFML
CCCCN(Cc1cc(Cl)cc(Cl)c1[O-])c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1	ZINC000034946703	563117516	/nfs/dbraw/zinc/11/75/16/563117516.db2.gz	VBTYDVKMVDEHCS-UHFFFAOYSA-N	-2	1	490.271	6.818	1	10		JKCFML
COc1c(=O)c2c([O-])c(C/C=C(\C)CCC=C(C)C)c([O-])cc2oc1-c1ccc(O)c(O)c1	ZINC000015120639	563011175	/nfs/dbraw/zinc/01/11/75/563011175.db2.gz	SFMXXEOUUFGNQC-OVCLIPMQSA-N	-2	1	452.503	5.526	1	10	biogenic,in-vitro	JKCFML