smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C(C)CCCc1c(=O)cc([O-])c2c([O-])c3ccc([O-])c(O)c3oc1-2	ZINC000059587688	560082778	/nfs/dbraw/zinc/08/27/78/560082778.db2.gz	IBKFXCFBLZDABS-UHFFFAOYSA-N	-3	3	342.347	3.667	1	30	biogenic,in-vitro	EHEFHL
O=C([O-])c1cc(Br)cc(C(=O)/C=C/c2ccccc2)c1[O-]	ZINC000066066286	202875560	/nfs/dbraw/zinc/87/55/60/202875560.db2.gz	LNMLSTKZEMYYHR-VOTSOKGWSA-N	-2	3	347.164	3.749	1	30		EHEFHL
O=C1C(=O)C(c2ccccc2)=C([O-])C([O-])=C1c1coc2ccccc21	ZINC000037866064	202372007	/nfs/dbraw/zinc/37/20/07/202372007.db2.gz	HYTFYBJDTNAOJU-UHFFFAOYSA-N	-2	3	332.311	3.823	1	30		EHEFHL
CC1(C)C=Cc2c([O-])c(C(=O)/C=C/c3ccc(O)cc3[O-])ccc2O1	ZINC000014557848	201057891	/nfs/dbraw/zinc/05/78/91/201057891.db2.gz	YRSOJUCHXHTKQU-QPJJXVBHSA-N	-2	3	338.359	3.884	1	30		EHEFHL
O=C([O-])C(=O)C=C([O-])c1cccc(OCc2ccc(Cl)cc2)c1	ZINC000101194286	204002272	/nfs/dbraw/zinc/00/22/72/204002272.db2.gz	FCXRCRRPFVTAPG-SXGWCWSVSA-N	-2	3	332.739	3.628	1	30		EHEFHL
COc1cc([O-])c(Br)cc1/C=C/C(=O)c1ccc([O-])cc1	ZINC000071331768	203092596	/nfs/dbraw/zinc/09/25/96/203092596.db2.gz	PNFORSNOOCBHAA-QPJJXVBHSA-N	-2	3	349.180	3.765	1	30		EHEFHL
[O-]c1ccc(Cl)cc1/C=N/CC/N=C/c1cc(Cl)ccc1[O-]	ZINC000003589315	210058837	/nfs/dbraw/zinc/05/88/37/210058837.db2.gz	YCKSRMXJTFAWKD-LQGKIZFRSA-N	-2	3	337.206	3.943	1	30		EHEFHL
CCCCCCCCOC(=O)c1coc2cc([O-])cc([O-])c2c1=O	ZINC000049783631	214031248	/nfs/dbraw/zinc/03/12/48/214031248.db2.gz	AVTZBRBNUXCBGW-UHFFFAOYSA-N	-2	3	334.368	3.722	1	30		EHEFHL
C=CC(C)(C)c1c([O-])c2c([O-])c3cc(OC)ccc3oc-2cc1=O	ZINC000095485918	560061965	/nfs/dbraw/zinc/06/19/65/560061965.db2.gz	RLBVRDHIRGRROR-UHFFFAOYSA-N	-2	3	326.348	3.830	1	30	biogenic,in-vitro	EHEFHL
CC(C)Sc1sc(C(=O)[O-])c(-c2ccc([O-])c(O)c2)c1C#N	ZINC000169329729	528335502	/nfs/dbraw/zinc/33/55/02/528335502.db2.gz	ULJZICYJVOKVTR-UHFFFAOYSA-N	-2	3	335.406	3.897	1	30		EHEFHL
C=C(c1c(OC)cc(=O)c2c([O-])c3ccc([O-])c(O)c3oc1-2)C(C)C	ZINC000014829008	560226975	/nfs/dbraw/zinc/22/69/75/560226975.db2.gz	NSYLWTGDDXBREV-UHFFFAOYSA-N	-2	3	342.347	3.741	1	30	in-vitro	EHEFHL
CCC([O-])=C1c2ccc(NC(=O)Nc3ccccc3)cc2N([O-])C1=O	ZINC000103238390	219273739	/nfs/dbraw/zinc/27/37/39/219273739.db2.gz	TZCAECRSWQRYNG-NXVVXOECSA-N	-2	3	339.351	3.746	1	30		EHEFHL
CCCCCCCCC(=O)Oc1coc2cc([O-])cc([O-])c2c1=O	ZINC000049784072	214031271	/nfs/dbraw/zinc/03/12/71/214031271.db2.gz	SIKLULUDVNYRTD-UHFFFAOYSA-N	-2	3	334.368	3.860	1	30		EHEFHL
CCCCCCCCC(=O)OCc1coc2cc([O-])cc([O-])c2c1=O	ZINC000049781088	214031782	/nfs/dbraw/zinc/03/17/82/214031782.db2.gz	BBVPCDYETWPGHN-UHFFFAOYSA-N	-2	3	348.395	3.998	1	30		EHEFHL
CC(C)=CCc1cc(C(=O)/C=C\c2ccc(O)c(O)c2)c([O-])cc1[O-]	ZINC000095909868	560059464	/nfs/dbraw/zinc/05/94/64/560059464.db2.gz	FEALTYYKRMRXTG-DAXSKMNVSA-N	-2	3	340.375	3.914	1	30	biogenic,in-vitro	EHEFHL