smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1c([O-])cc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000013513970	187307499	/nfs/dbraw/zinc/30/74/99/187307499.db2.gz	YJNZVXWSDLXUFD-UHFFFAOYSA-N	-2	3	213.145	1.007	10	5		BDBEHL
O=C([O-])c1cc([O-])cc([N+](=O)[O-])c1OC(F)F	ZINC000575663384	387287189	/nfs/dbraw/zinc/28/71/89/387287189.db2.gz	XXCSFSXZMCMKTR-UHFFFAOYSA-N	-2	3	249.125	1.600	10	5		BDBEHL
O=[N+]([O-])c1c([O-])ccc([O-])c1Br	ZINC000575687596	387373753	/nfs/dbraw/zinc/37/37/53/387373753.db2.gz	VLHODOIQMOKVDZ-UHFFFAOYSA-N	-2	3	234.005	1.769	10	5		BDBEHL
O=C([O-])c1cc([N+](=O)[O-])cc2n[n-]c(Cl)c21	ZINC000014983686	350226560	/nfs/dbraw/zinc/22/65/60/350226560.db2.gz	FIZPEEVUCXYLAP-UHFFFAOYSA-N	-2	3	241.590	1.823	10	5		BDBEHL
CCOC(=O)c1cc([N+](=O)[O-])c([O-])cc1[O-]	ZINC000098177580	170292836	/nfs/dbraw/zinc/29/28/36/170292836.db2.gz	OPTURZGUVVSYGS-UHFFFAOYSA-N	-2	3	227.172	1.183	10	5		BDBEHL
O=C([O-])c1cc([N+](=O)[O-])cc([O-])c1OC(F)F	ZINC000575663348	387287302	/nfs/dbraw/zinc/28/73/02/387287302.db2.gz	WWEFEPDKCTVSNA-UHFFFAOYSA-N	-2	3	249.125	1.600	10	5		BDBEHL
O=[N+]([O-])c1cc([O-])cc([O-])c1Br	ZINC000575686377	387375884	/nfs/dbraw/zinc/37/58/84/387375884.db2.gz	MUHABMODMHHAGG-UHFFFAOYSA-N	-2	3	234.005	1.769	10	5		BDBEHL
O=C([O-])c1cc(OC(F)F)c([O-])cc1[N+](=O)[O-]	ZINC000575663332	387288292	/nfs/dbraw/zinc/28/82/92/387288292.db2.gz	WRBKZAHPYYIORQ-UHFFFAOYSA-N	-2	3	249.125	1.600	10	5		BDBEHL
O=C([O-])c1cc([N+](=O)[O-])cc(OC(F)F)c1[O-]	ZINC000575662590	387194668	/nfs/dbraw/zinc/19/46/68/387194668.db2.gz	BWCPZBPPVSWMPE-UHFFFAOYSA-N	-2	3	249.125	1.600	10	5		BDBEHL
O=C([O-])CCSc1cc[n-]c(=O)c1[N+](=O)[O-]	ZINC000695447968	954812733	/nfs/dbraw/zinc/81/27/33/954812733.db2.gz	FFNGRAAZIVJSMS-UHFFFAOYSA-N	-2	3	244.228	1.262	10	5		BDBEHL
O=C([O-])c1c(C(F)F)cc([O-])cc1[N+](=O)[O-]	ZINC000575667487	387319496	/nfs/dbraw/zinc/31/94/96/387319496.db2.gz	FQTLWQWNMDKBNZ-UHFFFAOYSA-N	-2	3	233.126	1.936	10	5		BDBEHL
O=C([O-])c1n[n-]c2cc(F)cc([N+](=O)[O-])c21	ZINC000014983891	350442836	/nfs/dbraw/zinc/44/28/36/350442836.db2.gz	WPFFBDIIRBNTAW-UHFFFAOYSA-N	-2	3	225.135	1.308	10	5		BDBEHL
O=[N+]([O-])c1cc([O-])c(Br)cc1[O-]	ZINC000059457201	372186711	/nfs/dbraw/zinc/18/67/11/372186711.db2.gz	RQNTWEDNSBZTLP-UHFFFAOYSA-N	-2	3	234.005	1.769	10	5		BDBEHL
O=C([O-])c1c(OC(F)F)cc([O-])cc1[N+](=O)[O-]	ZINC000575663344	387286784	/nfs/dbraw/zinc/28/67/84/387286784.db2.gz	WVLHTQOZZZKZFV-UHFFFAOYSA-N	-2	3	249.125	1.600	10	5		BDBEHL
O=C([O-])c1cc([O-])c(OC(F)F)c([N+](=O)[O-])c1	ZINC000575662756	387199473	/nfs/dbraw/zinc/19/94/73/387199473.db2.gz	GZPZDODMZCHMSL-UHFFFAOYSA-N	-2	3	249.125	1.600	10	5		BDBEHL