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-])c1c2nn[n-]c2c(Cl)c2ncccc21	ZINC000082157870	187281387	/nfs/dbraw/zinc/28/13/87/187281387.db2.gz	KJRCKLWHGWGKKH-UHFFFAOYSA-N	-1	3	249.617	2.068	1	5		BEBFHM
O=[N+]([O-])c1c2nnnc2c(Cl)c2[n-]cccc21	ZINC000082157870	187281388	/nfs/dbraw/zinc/28/13/88/187281388.db2.gz	KJRCKLWHGWGKKH-UHFFFAOYSA-N	-1	3	249.617	2.068	1	5		BEBFHM
O=[N+]([O-])c1c2[n-]nnc2c(Cl)c2ncccc21	ZINC000082157870	187281390	/nfs/dbraw/zinc/28/13/90/187281390.db2.gz	KJRCKLWHGWGKKH-UHFFFAOYSA-N	-1	3	249.617	2.068	1	5		BEBFHM
O=[N+]([O-])c1c2n[n-]nc2c(Cl)c2ncccc21	ZINC000082157870	187281392	/nfs/dbraw/zinc/28/13/92/187281392.db2.gz	KJRCKLWHGWGKKH-UHFFFAOYSA-N	-1	3	249.617	2.068	1	5		BEBFHM
O=C([N-]c1ccncc1[N+](=O)[O-])c1cccs1	ZINC000003897575	182387915	/nfs/dbraw/zinc/38/79/15/182387915.db2.gz	LCDXTCLLMRQHQG-UHFFFAOYSA-N	-1	3	249.251	2.304	1	5		BEBFHM