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([O-])c(Br)c([O-])c1	ZINC000575684317	387363680	/nfs/dbraw/zinc/36/36/80/387363680.db2.gz	ALMBOOISFVSSAF-UHFFFAOYSA-N	-2	1	234.005	1.769	10	5		BDBEML
O=C([O-])c1cc([O-])cc([N+](=O)[O-])c1C(F)F	ZINC000575667846	384444766	/nfs/dbraw/zinc/44/47/66/384444766.db2.gz	GXYRMFRXNGQBPW-UHFFFAOYSA-N	-2	1	233.126	1.936	10	5		BDBEML
O=C([O-])c1cc(OC(F)F)cc([N+](=O)[O-])c1[O-]	ZINC000575662846	387193881	/nfs/dbraw/zinc/19/38/81/387193881.db2.gz	KKYWPJZTVOPOIR-UHFFFAOYSA-N	-2	1	249.125	1.600	10	5		BDBEML
CCC(=O)c1cc([N+](=O)[O-])c([O-])cc1[O-]	ZINC000107715676	168255352	/nfs/dbraw/zinc/25/53/52/168255352.db2.gz	GKXNPWNKFGRTJZ-UHFFFAOYSA-N	-2	1	211.173	1.599	10	5		BDBEML
O=C([O-])c1cc2n[n-]c(Cl)c2c([N+](=O)[O-])c1	ZINC000014983800	350225484	/nfs/dbraw/zinc/22/54/84/350225484.db2.gz	FVWZSBOSERCZKK-UHFFFAOYSA-N	-2	1	241.590	1.823	10	5		BDBEML
O=C([O-])c1cc([N+](=O)[O-])cc(C(F)F)c1[O-]	ZINC000575666802	387319264	/nfs/dbraw/zinc/31/92/64/387319264.db2.gz	BDUVWJFRQCRFIR-UHFFFAOYSA-N	-2	1	233.126	1.936	10	5		BDBEML
O=C([O-])c1cc(C(F)F)c([O-])cc1[N+](=O)[O-]	ZINC000575669442	387328438	/nfs/dbraw/zinc/32/84/38/387328438.db2.gz	VQNDSZBCNNQSBZ-UHFFFAOYSA-N	-2	1	233.126	1.936	10	5		BDBEML