smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2c3ccc([O-])c(C)c3oc(=O)c2c1C	ZINC000028571834	171564533	/nfs/dbraw/zinc/56/45/33/171564533.db2.gz	ZNNWUTSEWXUPRB-UHFFFAOYSA-N	-1	3	270.284	3.277	1	5		CGBFHM
COc1c([O-])c2c3c(cc4ccccc4c3c1OC)NC2=O	ZINC000014779268	560226266	/nfs/dbraw/zinc/22/62/66/560226266.db2.gz	LYAWRCUCLSFMNJ-UHFFFAOYSA-N	-1	3	295.294	3.282	1	5	biogenic,in-vitro	CGBFHM
COc1c2c3c(cc4ccccc4c3c(OC)c1[O-])NC2=O	ZINC000005998714	170166583	/nfs/dbraw/zinc/16/65/83/170166583.db2.gz	UQUSUGQKCAHMQJ-UHFFFAOYSA-N	-1	3	295.294	3.282	1	5	biogenic,in-vitro	CGBFHM
COc1cc2c3c(cc4ccccc4c3c1[O-])N(C)C2=O	ZINC000013484720	560217352	/nfs/dbraw/zinc/21/73/52/560217352.db2.gz	SXOOWJJLSWDXTQ-UHFFFAOYSA-N	-1	3	279.295	3.297	1	5	biogenic,in-vitro	CGBFHM
O=[N+]([O-])c1ccccc1NCc1ccc([O-])c2ncccc12	ZINC000036381415	172627187	/nfs/dbraw/zinc/62/71/87/172627187.db2.gz	OZOHLTIUFJTDOA-UHFFFAOYSA-N	-1	3	295.298	3.461	1	5		CGBFHM
COc1c([O-])cc2c3c(cc4ccccc4c31)N(OC)C2=O	ZINC000013484722	560217359	/nfs/dbraw/zinc/21/73/59/560217359.db2.gz	LHSDJNRAZBFFLF-UHFFFAOYSA-N	-1	3	295.294	3.229	1	5	in-vitro	CGBFHM
CCn1c(=O)c2c3cc(O)ccc3oc2c2ccc([O-])cc21	ZINC000006371739	170195644	/nfs/dbraw/zinc/19/56/44/170195644.db2.gz	DWGAZJCGYUTYHE-UHFFFAOYSA-N	-1	3	295.294	3.332	1	5		CGBFHM
COc1c([O-])cc2c3c(cc4ccccc4c31)N(C)C2=O	ZINC000005996060	170166055	/nfs/dbraw/zinc/16/60/55/170166055.db2.gz	WRFZNTLPRUIGKH-UHFFFAOYSA-N	-1	3	279.295	3.297	1	5	biogenic,in-vitro	CGBFHM