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)c2c([O-])cc([O-])c(O)c2oc1-c1ccccc1	ZINC000005732266	181278570	/nfs/dbraw/zinc/27/85/70/181278570.db2.gz	IDYSOKBAVNNCSS-UHFFFAOYSA-N	-2	3	300.266	2.585	10	10		DFCEHL
COc1cc([O-])cc2oc(-c3ccc([O-])c(O)c3)cc(=O)c12	ZINC000014813748	425774891	/nfs/dbraw/zinc/77/48/91/425774891.db2.gz	OZPMKAZMPNDLKX-UHFFFAOYSA-N	-2	3	300.266	2.585	10	10		DFCEHL
COc1c(=O)c2cc(O)c([O-])cc2oc1-c1ccc([O-])cc1	ZINC000014757242	425774992	/nfs/dbraw/zinc/77/49/92/425774992.db2.gz	SEIMWTXEHSQAHJ-UHFFFAOYSA-N	-2	3	300.266	2.585	10	10		DFCEHL
COc1ccccc1-c1cc(=O)c2c([O-])c(O)c([O-])cc2o1	ZINC000090555176	185303235	/nfs/dbraw/zinc/30/32/35/185303235.db2.gz	OHWUYMZEFLQFQB-UHFFFAOYSA-N	-2	3	300.266	2.585	10	10		DFCEHL
CCCCc1cc([O-])cc2c1C(=O)c1c(O)cc([O-])cc1C2=O	ZINC000003794008	560189551	/nfs/dbraw/zinc/18/95/51/560189551.db2.gz	PPZYTBDLRLLDOP-UHFFFAOYSA-N	-2	3	312.321	2.921	10	10	in-vitro	DFCEHL
CCCOc1cc([O-])c2c(c1)C(=O)c1cc(C)cc([O-])c1C2=O	ZINC000013454701	425754681	/nfs/dbraw/zinc/75/46/81/425754681.db2.gz	MUSZNTFYBZBCCZ-UHFFFAOYSA-N	-2	3	312.321	2.970	10	10		DFCEHL
Cc1cc([O-])cc(C)c1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000003120922	180982948	/nfs/dbraw/zinc/98/29/48/180982948.db2.gz	SYLMYUMIZLCYPG-UHFFFAOYSA-N	-2	3	322.342	2.718	10	10		DFCEHL
O=C1[N-]C(=S)S/C1=C/c1cccc(Br)c1[O-]	ZINC000575327260	430078999	/nfs/dbraw/zinc/07/89/99/430078999.db2.gz	IKDOGJKCTBSNHK-QPJJXVBHSA-N	-2	3	316.201	2.644	10	10		DFCEHL
COc1ccc(-c2coc3cc([O-])ccc3c2=O)c([O-])c1O	ZINC000003203949	560188884	/nfs/dbraw/zinc/18/88/84/560188884.db2.gz	SMOFGXHPWCTYQD-UHFFFAOYSA-N	-2	3	300.266	2.585	10	10	biogenic,in-vitro	DFCEHL