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(-c2cc(=O)c3cc(CC=C(C)C)c([O-])cc3o2)ccc1[O-]	ZINC000013485410	560217489	/nfs/dbraw/zinc/21/74/89/560217489.db2.gz	GLDVIKFETPAZNV-UHFFFAOYSA-N	-2	3	390.479	5.889	40	0	biogenic,in-vitro	GKABHL
Cc1c(Cl)c(C)c(Cc2c(C)c(Cl)c(C)c(Cl)c2[O-])c([O-])c1Cl	ZINC000001687226	570267372	/nfs/dbraw/zinc/26/73/72/570267372.db2.gz	FUCRRQSAJWDTFZ-UHFFFAOYSA-N	-2	3	394.125	6.536	40	0		GKABHL
CC(C)=CCC/C(C)=C/Cc1cc(-c2coc3cc([O-])ccc3c2=O)ccc1[O-]	ZINC000015120527	291144572	/nfs/dbraw/zinc/14/45/72/291144572.db2.gz	ZBHUUXLHDOUMKM-REZTVBANSA-N	-2	3	390.479	6.106	40	0	biogenic,in-vitro	GKABHL
C/C=C(/C)c1c(Cl)c([O-])c(C)c2c1Oc1cc([O-])c(Cl)c(C)c1C(=O)O2	ZINC000037538471	560079006	/nfs/dbraw/zinc/07/90/06/560079006.db2.gz	FCMYLROGVKJIDN-ALCCZGGFSA-N	-2	3	395.238	5.770	40	0	biogenic,in-vitro	GKABHL
CC(C)=CCc1cc(-c2coc3c(ccc([O-])c3CC=C(C)C)c2=O)ccc1[O-]	ZINC000013485414	560217522	/nfs/dbraw/zinc/21/75/22/560217522.db2.gz	YBJJPNXZVZRDIU-UHFFFAOYSA-N	-2	3	390.479	5.889	40	0	biogenic,in-vitro	GKABHL
CC(C)(C)c1cc(Cl)cc(Sc2cc(Cl)cc(C(C)(C)C)c2[O-])c1[O-]	ZINC000005434571	570254756	/nfs/dbraw/zinc/25/47/56/570254756.db2.gz	STBISWCOPIJZJA-UHFFFAOYSA-N	-2	3	399.383	7.151	40	0		GKABHL