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](Nc1ccc(C(C)(C)C)cc1)c1ccccc1[N+](=O)[O-]	ZINC000314314448	261612789	/nfs/dbraw/zinc/61/27/89/261612789.db2.gz	GRILMRNWLONUET-ZDUSSCGKSA-N	0	0	298.386	5.065	20	5		CKBDRN
C[C@@H](S[C@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1	ZINC000437266011	330696444	/nfs/dbraw/zinc/69/64/44/330696444.db2.gz	JPHXTVYPVWAVPB-CHWSQXEVSA-N	0	0	287.384	5.150	20	5		CKBDRN
C[C@@H](S[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1	ZINC000437266013	330696438	/nfs/dbraw/zinc/69/64/38/330696438.db2.gz	JPHXTVYPVWAVPB-OLZOCXBDSA-N	0	0	287.384	5.150	20	5		CKBDRN
C[C@H](S[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1	ZINC000437266017	330696428	/nfs/dbraw/zinc/69/64/28/330696428.db2.gz	JPHXTVYPVWAVPB-STQMWFEESA-N	0	0	287.384	5.150	20	5		CKBDRN