smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CO[N-]C(=O)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000025825038	591442368	/nfs/dbraw/zinc/44/23/68/591442368.db2.gz	RVTUUOWSIYFJAZ-UHFFFAOYSA-N	-2	3	213.149	-0.426	20	5		BBBDHL
CCO[N-]C(=O)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000070275045	384516346	/nfs/dbraw/zinc/51/63/46/384516346.db2.gz	MVIHIMYCPRTVBQ-UHFFFAOYSA-N	-2	3	227.176	-0.036	20	5		BBBDHL
O=C([N-]c1nn[n-]n1)c1ccc([N+](=O)[O-])o1	ZINC000345374527	353593022	/nfs/dbraw/zinc/59/30/22/353593022.db2.gz	KPDPGOUUYOXEPS-UHFFFAOYSA-N	-2	3	224.136	-0.047	20	5		BBBDHL
O=C(Nc1nn[n-]n1)c1ccc([N+](=O)[O-])[n-]1	ZINC000346340146	357024073	/nfs/dbraw/zinc/02/40/73/357024073.db2.gz	DMMOVKXCMGZMBA-UHFFFAOYSA-N	-2	3	223.152	-0.312	20	5		BBBDHL
O=C(Nc1nnn[n-]1)c1ccc([N+](=O)[O-])[n-]1	ZINC000346340146	357024069	/nfs/dbraw/zinc/02/40/69/357024069.db2.gz	DMMOVKXCMGZMBA-UHFFFAOYSA-N	-2	3	223.152	-0.312	20	5		BBBDHL
Cc1noc(=NC(=O)c2cc([N+](=O)[O-])n[n-]2)[n-]1	ZINC000350720157	355748130	/nfs/dbraw/zinc/74/81/30/355748130.db2.gz	NNSCCTWSXBOFMR-UHFFFAOYSA-N	-2	3	238.163	-0.316	20	5		BBBDHL
Cc1noc(=NC(=O)c2cc([N+](=O)[O-])[n-]n2)[n-]1	ZINC000350720157	355748129	/nfs/dbraw/zinc/74/81/29/355748129.db2.gz	NNSCCTWSXBOFMR-UHFFFAOYSA-N	-2	3	238.163	-0.316	20	5		BBBDHL