smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1cc2c(c(-c3ccc(/C=C4/C(=O)[N-]C(=S)NC4=O)o3)c1)OCO2	ZINC000040428784	205066263	/nfs/dbraw/zinc/06/62/63/205066263.db2.gz	HQSFMLOPBZPPJJ-UHFFFAOYSA-N	-2	1	386.341	2.128	1	10		GECFML
O=C([O-])c1cc2c(c(-c3ccc(/C=C4\C(=O)[N-]C(=S)NC4=O)o3)c1)OCO2	ZINC000040428784	205066265	/nfs/dbraw/zinc/06/62/65/205066265.db2.gz	HQSFMLOPBZPPJJ-UHFFFAOYSA-N	-2	1	386.341	2.128	1	10		GECFML
O=C([O-])c1cc2c(c(-c3ccc(C=C4C(=O)[N-]C(=S)NC4=O)o3)c1)OCO2	ZINC000040428784	205066269	/nfs/dbraw/zinc/06/62/69/205066269.db2.gz	HQSFMLOPBZPPJJ-UHFFFAOYSA-N	-2	1	386.341	2.128	1	10		GECFML
O=C([O-])[C@H]1[C@@H](C(=O)[O-])NCCN1C(=O)c1ccc(/N=N/c2ccccc2)cc1	ZINC000082149056	222310606	/nfs/dbraw/zinc/31/06/06/222310606.db2.gz	OWLCQDZNALVPKV-BQLLGCRXSA-N	-2	1	382.376	2.054	1	10		GECFML