smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(O)c2c(c1)C(=O)c1c(O)c3c(cc1C2=O)[C@H](O)[C@@H](O)c1cc(C)c(C(=O)N[C@@H](C)C(=O)[O-])c(O)c1-3	ZINC000004097265	560194496	/nfs/dbraw/zinc/19/44/96/560194496.db2.gz	MXDWXJYFRRURMW-LBULQGQXSA-N	-1	2	549.488	1.846	10	10	in-vitro	KDCELM
COc1cc(O)c2c(c1)C(=O)c1c(O)c3c(cc1C2=O)[C@H](O)[C@@H](O)c1cc(C)c(C(=O)N[C@H](C)C(=O)[O-])c(O)c1-3	ZINC000004097266	560194483	/nfs/dbraw/zinc/19/44/83/560194483.db2.gz	MXDWXJYFRRURMW-ILWJZNQRSA-N	-1	2	549.488	1.846	10	10	in-vitro	KDCELM