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=O)c2c(c1[O-])O[C@]1(C)O[C@@]2(C)C(=O)c2cc(OC)c([O-])c(O)c21	ZINC000003933352	560191573	/nfs/dbraw/zinc/19/15/73/560191573.db2.gz	PECRJLBPKXQZDC-WOJBJXKFSA-N	-2	3	402.355	2.327	1	10	in-vitro	HECFHL
COc1cc(C=O)c2c(c1[O-])O[C@]1(C)O[C@@]2(C)C(=O)c2cc(OC)c(O)c([O-])c21	ZINC000003933352	560191575	/nfs/dbraw/zinc/19/15/75/560191575.db2.gz	PECRJLBPKXQZDC-WOJBJXKFSA-N	-2	3	402.355	2.327	1	10	in-vitro	HECFHL
COc1cc(C=O)c2c(c1[O-])O[C@@]1(C)O[C@]2(C)C(=O)c2cc(OC)c([O-])c(O)c21	ZINC000000590539	560178337	/nfs/dbraw/zinc/17/83/37/560178337.db2.gz	PECRJLBPKXQZDC-PMACEKPBSA-N	-2	3	402.355	2.327	1	10	in-vitro	HECFHL
COc1cc(C=O)c2c(c1[O-])O[C@@]1(C)O[C@]2(C)C(=O)c2cc(OC)c(O)c([O-])c21	ZINC000000590539	560178338	/nfs/dbraw/zinc/17/83/38/560178338.db2.gz	PECRJLBPKXQZDC-PMACEKPBSA-N	-2	3	402.355	2.327	1	10	in-vitro	HECFHL
C[C@@H](O)Cc1oc2cc([O-])c3c(c2c(=O)c1[O-])O[C@@H](c1ccc(O)c(O)c1)CC3=O	ZINC000085487617	291210172	/nfs/dbraw/zinc/21/01/72/291210172.db2.gz	LMNBPHAQJURIET-XLKFXECMSA-N	-2	3	414.366	2.245	1	10	biogenic,in-vitro	HECFHL