smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1c([O-])cc2oc3cc(O)cc(=O)c-3c([O-])c2c1CC=C(C)CCC=C(C)C	ZINC000013393279	560216300	/nfs/dbraw/zinc/21/63/00/560216300.db2.gz	JLTSTSRANGPLOQ-RIYZIHGNSA-N	-2	3	410.466	5.307	1	5	in-vitro	HKBFHL
COc1c([O-])cc2oc3cc([O-])cc(O)c3c(=O)c2c1C/C=C(\C)CCC=C(C)C	ZINC000013393279	560216303	/nfs/dbraw/zinc/21/63/03/560216303.db2.gz	JLTSTSRANGPLOQ-RIYZIHGNSA-N	-2	3	410.466	5.307	1	5	in-vitro	HKBFHL
COc1cc(OC)c2oc3cc([O-])c(CC=C(C)C)c([O-])c3c(=O)c2c1CC=C(C)C	ZINC000014727622	560225227	/nfs/dbraw/zinc/22/52/27/560225227.db2.gz	PGWGLEHDWSDHBH-UHFFFAOYSA-N	-2	3	424.493	5.392	1	5	in-vitro	HKBFHL
COc1c(CC=C(C)C)c([O-])c2c([O-])c3c(=O)ccc(O)c-3oc2c1CC=C(C)C	ZINC000014727623	291293384	/nfs/dbraw/zinc/29/33/84/291293384.db2.gz	GQJMECUTIMYMNR-UHFFFAOYSA-N	-2	3	410.466	5.089	1	5	biogenic,in-vitro	HKBFHL
COc1c(CC=C(C)C)c(=O)c2c([O-])c3c([O-])ccc(O)c3oc-2c1CC=C(C)C	ZINC000014727623	291293385	/nfs/dbraw/zinc/29/33/85/291293385.db2.gz	GQJMECUTIMYMNR-UHFFFAOYSA-N	-2	3	410.466	5.089	1	5	biogenic,in-vitro	HKBFHL
COc1cc2c([O-])c3c(=O)c(CC=C(C)C)c(O)cc-3oc2c(CC=C(C)C)c1[O-]	ZINC000014727626	291294762	/nfs/dbraw/zinc/29/47/62/291294762.db2.gz	ZNWIPEDYTLRLNK-UHFFFAOYSA-N	-2	3	410.466	5.089	1	5	biogenic,in-vitro	HKBFHL
COc1cc2c(=O)c3c(O)c(CC=C(C)C)c([O-])cc3oc2c(CC=C(C)C)c1[O-]	ZINC000014727626	291294766	/nfs/dbraw/zinc/29/47/66/291294766.db2.gz	ZNWIPEDYTLRLNK-UHFFFAOYSA-N	-2	3	410.466	5.089	1	5	biogenic,in-vitro	HKBFHL
COc1cc2c([O-])c3c(=O)c(C/C=C(\C)CCC=C(C)C)c(O)cc-3oc2cc1[O-]	ZINC000015120682	291294747	/nfs/dbraw/zinc/29/47/47/291294747.db2.gz	VEGUCVDYIMCIAZ-RIYZIHGNSA-N	-2	3	410.466	5.307	1	5	biogenic,in-vitro	HKBFHL
COc1cc2c(=O)c3c(O)c(C/C=C(\C)CCC=C(C)C)c([O-])cc3oc2cc1[O-]	ZINC000015120682	291294749	/nfs/dbraw/zinc/29/47/49/291294749.db2.gz	VEGUCVDYIMCIAZ-RIYZIHGNSA-N	-2	3	410.466	5.307	1	5	biogenic,in-vitro	HKBFHL
COc1c([O-])cc2oc3cc4c(c(=O)c-3c([O-])c2c1CCC=C(C)C)C=CC(C)(C)O4	ZINC000095098912	291293836	/nfs/dbraw/zinc/29/38/36/291293836.db2.gz	NQCUREXNKMUQPH-UHFFFAOYSA-N	-2	3	422.477	5.449	1	5	biogenic,in-vitro	HKBFHL