smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(/C=C/c2ccc3cccc([O-])c3n2)cc([N+](=O)[O-])c1[O-]	ZINC000036057473	213058897	/nfs/dbraw/zinc/05/88/97/213058897.db2.gz	IYLMLDPAYYLONF-FNORWQNLSA-N	-2	3	338.319	3.733	50	5		EHBAHL
Cn1ncc2c1[nH]c1c(oc3cc([O-])cc(=O)c31)c2-c1ccc([O-])cc1	ZINC000263586197	564061533	/nfs/dbraw/zinc/06/15/33/564061533.db2.gz	RDHJGHAIKZYEOF-UHFFFAOYSA-N	-2	3	347.330	3.652	50	5	biogenic	EHBAHL
O=C([O-])c1ccc(-c2c3c[nH]nc3nc3c4ccc([O-])cc4oc32)cc1	ZINC000096221374	564092397	/nfs/dbraw/zinc/09/23/97/564092397.db2.gz	QXXQXDPURAPVCB-UHFFFAOYSA-N	-2	3	345.314	3.928	50	5	biogenic	EHBAHL
COc1cc2oc3c(O)ccc(=O)c-3c([O-])c2c([O-])c1CC=C(C)C	ZINC000014763060	563982945	/nfs/dbraw/zinc/98/29/45/563982945.db2.gz	AAANZTDKTFGJLZ-UHFFFAOYSA-N	-2	3	342.347	3.580	50	5	endogenous,in-man	EHBAHL
COc1cc2oc3c(O)ccc([O-])c3c([O-])c-2c(=O)c1CC=C(C)C	ZINC000014763060	563982946	/nfs/dbraw/zinc/98/29/46/563982946.db2.gz	AAANZTDKTFGJLZ-UHFFFAOYSA-N	-2	3	342.347	3.580	50	5	endogenous,in-man	EHBAHL