smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc2c1C(=O)c1c([O-])c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@H]3O[C@H]1C[C@@H](NC(=O)[C@H](N)CC[NH3+])[C@@H](O)[C@@H](C)O1	ZINC000104216472	571377067	/nfs/dbraw/zinc/37/70/67/571377067.db2.gz	OXRRWZHNLXPQBD-YOGKKAGJSA-N	0	3	627.647	-0.138	40	10		KBCBHN
COc1cccc2c1C(=O)c1c([O-])c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@H]3O[C@H]1C[C@@H](NC(=O)[C@H](N)CC[NH3+])[C@@H](O)[C@H](C)O1	ZINC000104216478	571377120	/nfs/dbraw/zinc/37/71/20/571377120.db2.gz	OXRRWZHNLXPQBD-CVOKYDSCSA-N	0	3	627.647	-0.138	40	10		KBCBHN
COc1cccc2c1C(=O)c1c([O-])c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@H]3O[C@H]1C[C@@H](NC(=O)[C@H](N)CC[NH3+])[C@H](O)[C@@H](C)O1	ZINC000104216484	571377092	/nfs/dbraw/zinc/37/70/92/571377092.db2.gz	OXRRWZHNLXPQBD-CRYZEQTGSA-N	0	3	627.647	-0.138	40	10		KBCBHN
COc1cccc2c1C(=O)c1c([O-])c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@H]3O[C@H]1C[C@@H](NC(=O)[C@H](N)CC[NH3+])[C@H](O)[C@H](C)O1	ZINC000104216489	571377085	/nfs/dbraw/zinc/37/70/85/571377085.db2.gz	OXRRWZHNLXPQBD-AJLWONPQSA-N	0	3	627.647	-0.138	40	10		KBCBHN