smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(Br)cc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)c1O	ZINC000843047901	655387334	/nfs/dbraw/zinc/38/73/34/655387334.db2.gz	BALMUDDYBCVLLN-LLVKDONJSA-N	1	3	386.290	1.450	20	10		GDCDHO
COc1cc(Br)cc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)c1O	ZINC000843047902	655387398	/nfs/dbraw/zinc/38/73/98/655387398.db2.gz	BALMUDDYBCVLLN-NSHDSACASA-N	1	3	386.290	1.450	20	10		GDCDHO
COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cc(Br)cc(OC)c1[O-])C2	ZINC000903978858	659392189	/nfs/dbraw/zinc/39/21/89/659392189.db2.gz	NHXOBEAGGFKXHT-PPHDSNJXSA-N	1	3	399.285	1.876	20	10		GDCDHO
COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1cc(Br)cc(OC)c1[O-])C2	ZINC000903978858	659392192	/nfs/dbraw/zinc/39/21/92/659392192.db2.gz	NHXOBEAGGFKXHT-PPHDSNJXSA-N	1	3	399.285	1.876	20	10		GDCDHO