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	181278567	/nfs/dbraw/zinc/27/85/67/181278567.db2.gz	IDYSOKBAVNNCSS-UHFFFAOYSA-N	-2	0	300.266	2.585	10	10		DFCERL
O=C([O-])C1=CC(=NNc2cccc(S(=O)(=O)[O-])c2)C=CC1=O	ZINC000263584118	398434730	/nfs/dbraw/zinc/43/47/30/398434730.db2.gz	KEHBZRCBSSPEJM-CCEZHUSRSA-N	-2	0	322.298	2.753	10	10		DFCERL
COc1cc([O-])cc2oc(-c3ccc(O)c(O)c3)cc(=O)c12	ZINC000014813748	425774883	/nfs/dbraw/zinc/77/48/83/425774883.db2.gz	OZPMKAZMPNDLKX-UHFFFAOYSA-N	-2	0	300.266	2.585	10	10		DFCERL
COc1c(=O)c2cc(O)c([O-])cc2oc1-c1ccc(O)cc1	ZINC000014757242	425774983	/nfs/dbraw/zinc/77/49/83/425774983.db2.gz	SEIMWTXEHSQAHJ-UHFFFAOYSA-N	-2	0	300.266	2.585	10	10		DFCERL
O=C([O-])C1=CC(=NNc2ccc(S(=O)(=O)[O-])cc2)C=CC1=O	ZINC000100077231	193794458	/nfs/dbraw/zinc/79/44/58/193794458.db2.gz	MXCDRFGKHNFKIP-PFONDFGASA-N	-2	0	322.298	2.753	10	10		DFCERL