smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1nc(C=Cc2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000013124261	406859388	/nfs/dbraw/zinc/85/93/88/406859388.db2.gz	VFQZTECEWXARRE-SNAWJCMRSA-N	-2	3	304.218	1.050	40	5		DDBBHL
O=C(CSc1nccc(=O)[n-]1)Nc1ccc([N+](=O)[O-])cc1[O-]	ZINC000106381804	353938958	/nfs/dbraw/zinc/93/89/58/353938958.db2.gz	GWXWUEHSMOCYPK-UHFFFAOYSA-N	-2	3	322.302	1.115	40	5		DDBBHL
Cc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])s1	ZINC000011613909	406829488	/nfs/dbraw/zinc/82/94/88/406829488.db2.gz	TXTQWYVAUQBFRS-UHFFFAOYSA-N	-2	3	308.275	1.705	40	5		DDBBHL
COc1cc(OC)nc([N-]c2ccc([N+](=O)[O-])cc2C(=O)[O-])n1	ZINC000408712849	418810806	/nfs/dbraw/zinc/81/08/06/418810806.db2.gz	WUOKZIQAZBQONS-UHFFFAOYSA-N	-2	3	320.261	1.844	40	5		DDBBHL
O=c1[n-]c2c(c([O-])c1[N+](=O)[O-])CN(Cc1ccccc1)CC2	ZINC000095097363	407207174	/nfs/dbraw/zinc/20/71/74/407207174.db2.gz	TXTGTOFVEWJBDY-UHFFFAOYSA-N	-2	3	301.302	1.547	40	5		DDBBHL
CCOc1cc(/C=C2/NC(=S)[N-]C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000005711742	181275373	/nfs/dbraw/zinc/27/53/73/181275373.db2.gz	RMNLZOIWAYIFCE-XVNBXDOJSA-N	-2	3	309.303	1.044	40	5		DDBBHL