smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccc(O)c(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1	ZINC000000845967	568657915	/nfs/dbraw/zinc/65/79/15/568657915.db2.gz	IGNUHLTVZXYZIG-UHFFFAOYSA-N	0	2	357.369	5.025	50	5		FKBALN
O=[N+]([O-])c1ccc(O)c(-c2nc(-c3cccs3)c(-c3cccs3)[nH]2)c1	ZINC000001156676	571148416	/nfs/dbraw/zinc/14/84/16/571148416.db2.gz	ADPUVVDJMCNLDC-UHFFFAOYSA-N	0	2	369.427	5.148	50	5		FKBALN
Cc1ccccc1-c1c(=O)c2ccc(O)cc2oc1-c1ccc([N+](=O)[O-])cc1	ZINC000002576212	570525779	/nfs/dbraw/zinc/52/57/79/570525779.db2.gz	MBKDFFZSXMJGAI-UHFFFAOYSA-N	0	2	373.364	5.049	50	5		FKBALN
Cc1ccc(-c2[nH]c(-c3cc([N+](=O)[O-])ccc3O)nc2-c2ccccc2)cc1	ZINC000004844941	204169787	/nfs/dbraw/zinc/16/97/87/204169787.db2.gz	YKTXBJONEAZSKZ-UHFFFAOYSA-N	0	2	371.396	5.333	50	5		FKBALN
Cc1ccc(-c2nc(-c3cc([N+](=O)[O-])ccc3O)[nH]c2-c2ccccc2)cc1	ZINC000004844941	204169782	/nfs/dbraw/zinc/16/97/82/204169782.db2.gz	YKTXBJONEAZSKZ-UHFFFAOYSA-N	0	2	371.396	5.333	50	5		FKBALN
Cc1ccc(C2=Nc3ccccc3Nc3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])cc1	ZINC000005023312	570575827	/nfs/dbraw/zinc/57/58/27/570575827.db2.gz	UFBTUSNJAOOYDB-UHFFFAOYSA-N	0	2	374.356	5.038	50	5		FKBALN
O=[N+]([O-])c1ccc(O)c(-c2nc(-c3ccccc3)c(-c3cccs3)[nH]2)c1	ZINC000008577725	204334875	/nfs/dbraw/zinc/33/48/75/204334875.db2.gz	YXKUONDRYNBSNG-UHFFFAOYSA-N	0	2	363.398	5.086	50	5	aggregator	FKBALN
Cc1cc(C2SCc3cc(C)c(C)cc3CS2)c(O)c([N+](=O)[O-])c1	ZINC000012445135	571322440	/nfs/dbraw/zinc/32/24/40/571322440.db2.gz	QPRUXZUWBOXDEZ-UHFFFAOYSA-N	0	2	361.488	5.404	50	5		FKBALN
O=[N+]([O-])c1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)ccc1O	ZINC000035354375	571167205	/nfs/dbraw/zinc/16/72/05/571167205.db2.gz	CXOOHFSARKBOJO-UHFFFAOYSA-N	0	2	357.369	5.025	50	5		FKBALN