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-])c1cc([N+](=O)[O-])c([N-]c2ccc(I)cn2)c([N+](=O)[O-])c1	ZINC000226248850	569177999	/nfs/dbraw/zinc/17/79/99/569177999.db2.gz	YMVDOPAMYZCWJQ-UHFFFAOYSA-N	-1	0	431.102	3.154	10	5		IGBERM
CCOc1ccc(Cc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)[n-]c2=O)cc1	ZINC000022854642	521013443	/nfs/dbraw/zinc/01/34/43/521013443.db2.gz	PPRDCWNPWHEFLP-UHFFFAOYSA-N	-1	0	441.469	3.206	10	5		IGBERM
O=[N+]([O-])c1cc([N+](=O)[O-])c([N-]c2ncc(Br)cc2[N+](=O)[O-])c([N+](=O)[O-])c1	ZINC000226248870	569177977	/nfs/dbraw/zinc/17/79/77/569177977.db2.gz	QNIFPTKEVXFCDG-UHFFFAOYSA-N	-1	0	429.099	3.221	10	5		IGBERM
O=C([O-])COc1ccc2c3ccccc3n(S(=O)(=O)c3cccc([N+](=O)[O-])c3)c2c1	ZINC000028883080	563067882	/nfs/dbraw/zinc/06/78/82/563067882.db2.gz	UWDXUXSHFXKFMW-UHFFFAOYSA-N	-1	0	426.406	3.403	10	5		IGBERM
CCCCOC(=O)c1cccc(-n2c3ccc([N+](=O)[O-])cc3cc3c(=O)[n-]c(=O)nc2-3)c1	ZINC000041077924	520727653	/nfs/dbraw/zinc/72/76/53/520727653.db2.gz	CLJAZDKHYVEFEZ-UHFFFAOYSA-N	-1	0	434.408	3.044	10	5		IGBERM