smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@H+](C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)c1ccccc1)C1CC[NH+](C)CC1	ZINC000058147822	900905825	/nfs/dbraw/zinc/90/58/25/900905825.db2.gz	RHHGXRMBCPCNMK-OAQYLSRUSA-N	2	2	386.471	3.913	50	5		GHBALP
C[N@@H+](C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)c1ccccc1)C1CC[NH+](C)CC1	ZINC000058147822	900905831	/nfs/dbraw/zinc/90/58/31/900905831.db2.gz	RHHGXRMBCPCNMK-OAQYLSRUSA-N	2	2	386.471	3.913	50	5		GHBALP
C[N@H+](C[C@H](Nc1ccc([N+](=O)[O-])cc1F)c1ccccc1)C1CC[NH+](C)CC1	ZINC000058147815	900905365	/nfs/dbraw/zinc/90/53/65/900905365.db2.gz	RHHGXRMBCPCNMK-NRFANRHFSA-N	2	2	386.471	3.913	50	5		GHBALP
C[N@@H+](C[C@H](Nc1ccc([N+](=O)[O-])cc1F)c1ccccc1)C1CC[NH+](C)CC1	ZINC000058147815	900905379	/nfs/dbraw/zinc/90/53/79/900905379.db2.gz	RHHGXRMBCPCNMK-NRFANRHFSA-N	2	2	386.471	3.913	50	5		GHBALP