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-])c1c([N-]c2ccccc2Cl)ncnc1Nc1ccc(F)cc1	ZINC000040648125	205076387	/nfs/dbraw/zinc/07/63/87/205076387.db2.gz	FNVXRGOMORWTDH-UHFFFAOYSA-N	-1	3	359.748	4.665	10	5		FJBEHM
CC(C)c1ccc(Nc2[n-]cnc(=NNc3ccccc3)c2[N+](=O)[O-])cc1	ZINC000040594474	205074677	/nfs/dbraw/zinc/07/46/77/205074677.db2.gz	NXZLYUGSEGQHMM-UHFFFAOYSA-N	-1	3	364.409	4.691	10	5		FJBEHM
Cc1ccc(Cl)cc1Nc1ncnc([N-]c2ccccc2F)c1[N+](=O)[O-]	ZINC000040592651	205074978	/nfs/dbraw/zinc/07/49/78/205074978.db2.gz	QLHSEDAIGRHJFZ-UHFFFAOYSA-N	-1	3	373.775	4.973	10	5		FJBEHM
Cc1cc(Cl)ccc1Nc1ncnc([N-]c2ccccc2F)c1[N+](=O)[O-]	ZINC000040590481	205074928	/nfs/dbraw/zinc/07/49/28/205074928.db2.gz	VYNDDRZZQWSOLL-UHFFFAOYSA-N	-1	3	373.775	4.973	10	5		FJBEHM
Cc1ccccc1Nc1ncnc([N-]c2ccccc2Cl)c1[N+](=O)[O-]	ZINC000040647992	205076008	/nfs/dbraw/zinc/07/60/08/205076008.db2.gz	QEGIKUYZCGRBHR-UHFFFAOYSA-N	-1	3	355.785	4.834	10	5		FJBEHM
COc1ccccc1Nc1ncnc([N-]c2ccccc2Cl)c1[N+](=O)[O-]	ZINC000040648116	205075776	/nfs/dbraw/zinc/07/57/76/205075776.db2.gz	MMYIDMMLBMCDOU-UHFFFAOYSA-N	-1	3	371.784	4.534	10	5		FJBEHM
Cc1ccc(Cl)cc1Nc1[n-]cnc(=NNc2ccccc2)c1[N+](=O)[O-]	ZINC000040592628	205074687	/nfs/dbraw/zinc/07/46/87/205074687.db2.gz	OUQXSNPLRJEREP-UHFFFAOYSA-N	-1	3	370.800	4.529	10	5		FJBEHM
Cc1ccc(Oc2ncnc([N-]c3ccccc3Cl)c2[N+](=O)[O-])cc1	ZINC000040648174	205076115	/nfs/dbraw/zinc/07/61/15/205076115.db2.gz	YZVHWPNLWOKARM-UHFFFAOYSA-N	-1	3	356.769	4.883	10	5		FJBEHM
COc1ccc2c(Cl)c(C(=O)[N-]c3ccccc3[N+](=O)[O-])sc2c1	ZINC000005880400	207120289	/nfs/dbraw/zinc/12/02/89/207120289.db2.gz	QQYLRPIMJFSQSB-UHFFFAOYSA-N	-1	3	362.794	4.724	10	5		FJBEHM
CC[N+](CC)(CC)CCCCCCCCCCCCP(=O)([O-])[O-]	ZINC000044960048	717130048	/nfs/dbraw/zinc/13/00/48/717130048.db2.gz	CIRTZQBPHCNDAD-UHFFFAOYSA-O	-1	3	350.504	4.942	10	5		FJBEHM
O=[N+]([O-])c1c([N-]c2cccc(Cl)c2Cl)ncnc1NC1CCCC1	ZINC000040646761	208261986	/nfs/dbraw/zinc/26/19/86/208261986.db2.gz	ZMBAWNLURHRSBO-UHFFFAOYSA-N	-1	3	368.224	4.790	10	5		FJBEHM
CC(C)(C)Nc1ncnc([N-]c2cc(Cl)ccc2Cl)c1[N+](=O)[O-]	ZINC000040581690	208257262	/nfs/dbraw/zinc/25/72/62/208257262.db2.gz	ZORLKBATEBOWGJ-UHFFFAOYSA-N	-1	3	356.213	4.646	10	5		FJBEHM
COc1ccc(Cl)cc1[N-]c1ncnc(Oc2ccccc2)c1[N+](=O)[O-]	ZINC000040589762	208259833	/nfs/dbraw/zinc/25/98/33/208259833.db2.gz	HUQWOHBWLGWSQS-UHFFFAOYSA-N	-1	3	372.768	4.583	10	5		FJBEHM
COc1ccc(Oc2ncnc([N-]c3ccccc3Cl)c2[N+](=O)[O-])cc1	ZINC000040648226	208260578	/nfs/dbraw/zinc/26/05/78/208260578.db2.gz	BWBRDZWYVXYXLY-UHFFFAOYSA-N	-1	3	372.768	4.583	10	5		FJBEHM
Cc1ccc(Nc2ncnc([N-]c3ccccc3Cl)c2[N+](=O)[O-])cc1	ZINC000040648121	208260980	/nfs/dbraw/zinc/26/09/80/208260980.db2.gz	VBHOULYNFMCTRX-UHFFFAOYSA-N	-1	3	355.785	4.834	10	5		FJBEHM
Cc1cccc(Nc2ncnc([N-]c3ccccc3Cl)c2[N+](=O)[O-])c1	ZINC000040648117	208261213	/nfs/dbraw/zinc/26/12/13/208261213.db2.gz	ZYBTZOLBTURURF-UHFFFAOYSA-N	-1	3	355.785	4.834	10	5		FJBEHM
O=[N+]([O-])c1c([N-]c2ccccc2F)ncnc1Nc1ccc(Cl)cc1	ZINC000040627550	208260917	/nfs/dbraw/zinc/26/09/17/208260917.db2.gz	TVAHXVOPGPGTNI-UHFFFAOYSA-N	-1	3	359.748	4.665	10	5		FJBEHM
COc1ccccc1Oc1ncnc([N-]c2ccccc2Cl)c1[N+](=O)[O-]	ZINC000040648225	208260374	/nfs/dbraw/zinc/26/03/74/208260374.db2.gz	YVVYNCBRZWUCML-UHFFFAOYSA-N	-1	3	372.768	4.583	10	5		FJBEHM
CCN(c1ccccc1)c1ncnc([N-]c2ccccc2Cl)c1[N+](=O)[O-]	ZINC000040573397	208256128	/nfs/dbraw/zinc/25/61/28/208256128.db2.gz	YFKLJPFMTCMMKO-UHFFFAOYSA-N	-1	3	369.812	4.940	10	5		FJBEHM
O=[N+]([O-])c1c([N-]c2ccccc2F)ncnc1Nc1ccccc1Cl	ZINC000040627526	208259094	/nfs/dbraw/zinc/25/90/94/208259094.db2.gz	JGTUQYWQDMNGQY-UHFFFAOYSA-N	-1	3	359.748	4.665	10	5		FJBEHM