smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](CBr)[N@+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@@H](CO)c1ccccc1)C2	ZINC001082777727	717195961	/nfs/dbraw/zinc/19/59/61/717195961.db2.gz	ODBKDMBZQPUAAM-QUWTYBAYSA-N	1	0	411.360	3.229	10	50		HGGERO
Cc1ccc(NC(=O)CCC(CC(=O)C(C)(C)C)=NNC(=O)C[N+](C)(C)C)cc1C	ZINC000254397019	717170740	/nfs/dbraw/zinc/17/07/40/717170740.db2.gz	MTUJGAHUSAUSDG-UHFFFAOYSA-O	1	0	417.574	3.206	10	50		HGGERO
CCN(CC)c1ccc(/C=C(\C#N)C(=O)OCCC[N+](C)(C)CCOC(C)=O)cc1	ZINC000038646393	717126123	/nfs/dbraw/zinc/12/61/23/717126123.db2.gz	GQPYDNSAXYRWRP-HEHNFIMWSA-N	1	0	416.542	3.013	10	50		HGGERO
C[C@H](CBr)[N@@+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@H](CO)c1ccccc1)C2	ZINC001082777729	717195936	/nfs/dbraw/zinc/19/59/36/717195936.db2.gz	ODBKDMBZQPUAAM-ZIHNBBLLSA-N	1	0	411.360	3.229	10	50		HGGERO
C[C@H](CBr)[N@@+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@@H](CO)c1ccccc1)C2	ZINC001082777726	717195909	/nfs/dbraw/zinc/19/59/09/717195909.db2.gz	ODBKDMBZQPUAAM-NWJQCDRGSA-N	1	0	411.360	3.229	10	50		HGGERO
C[C@H](CBr)[N@+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@H](CO)c1ccccc1)C2	ZINC001082777728	717195854	/nfs/dbraw/zinc/19/58/54/717195854.db2.gz	ODBKDMBZQPUAAM-RZDUQXNZSA-N	1	0	411.360	3.229	10	50		HGGERO