smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000604398388	371974305	/nfs/dbraw/zinc/97/43/05/371974305.db2.gz	UTFDRTZTMWYEGB-UHFFFAOYSA-N	-1	1	236.274	0.955	20	5		BCBDMM
CC[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-]	ZINC000339044615	170137308	/nfs/dbraw/zinc/13/73/08/170137308.db2.gz	DDGVXMWYNVTVCL-UHFFFAOYSA-N	-1	1	248.264	0.109	20	5		BCBDMM
O=C(Cc1ccccc1[N+](=O)[O-])[N-]OCCO	ZINC000776584744	585701553	/nfs/dbraw/zinc/70/15/53/585701553.db2.gz	MKXNJNIOLKHYFT-UHFFFAOYSA-N	-1	1	240.215	0.177	20	5		BCBDMM
C[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-]	ZINC000866378724	589488825	/nfs/dbraw/zinc/48/88/25/589488825.db2.gz	ACSBXXUJINCRMK-UHFFFAOYSA-N	-1	1	248.235	0.950	20	5		BCBDMM
Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)[nH]1	ZINC000112703236	398147576	/nfs/dbraw/zinc/14/75/76/398147576.db2.gz	LJGHYAYJNWEEQO-UHFFFAOYSA-N	-1	1	236.191	0.602	20	5		BCBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCF)nc1	ZINC000593590309	347914976	/nfs/dbraw/zinc/91/49/76/347914976.db2.gz	HAHCCVFXMFDKPF-UHFFFAOYSA-N	-1	1	249.223	0.238	20	5		BCBDMM
NC(=O)c1ccnc([N-]c2c[nH]cn2)c1[N+](=O)[O-]	ZINC000579339726	366761546	/nfs/dbraw/zinc/76/15/46/366761546.db2.gz	NBPZTMRMVGSMSY-UHFFFAOYSA-N	-1	1	248.202	0.555	20	5		BCBDMM
C[C@@H](CF)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000288230419	383828532	/nfs/dbraw/zinc/82/85/32/383828532.db2.gz	NZJIUZOEUAKGAK-YFKPBYRVSA-N	-1	1	243.194	0.783	20	5		BCBDMM
O=C(c1ccc([N+](=O)[O-])[n-]1)N1CCn2nccc21	ZINC000560809039	384359880	/nfs/dbraw/zinc/35/98/80/384359880.db2.gz	IGRJIHCOKFNKRA-UHFFFAOYSA-N	-1	1	247.214	0.780	20	5		BCBDMM
CCN(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000188158123	384825467	/nfs/dbraw/zinc/82/54/67/384825467.db2.gz	BJDZUJFYYXNDNF-UHFFFAOYSA-N	-1	1	225.204	0.787	20	5		BCBDMM
C[C@@H]1C[C@@H]1NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000170807844	388465575	/nfs/dbraw/zinc/46/55/75/388465575.db2.gz	SEDKTGSHVVXFRX-XRGYYRRGSA-N	-1	1	237.215	0.834	20	5		BCBDMM
C[C@@H]1C[C@H]1NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000170807848	388465592	/nfs/dbraw/zinc/46/55/92/388465592.db2.gz	SEDKTGSHVVXFRX-SVGQVSJJSA-N	-1	1	237.215	0.834	20	5		BCBDMM
O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCC1	ZINC000186741130	397950722	/nfs/dbraw/zinc/95/07/22/397950722.db2.gz	MXYKBJSLAOIIGZ-UHFFFAOYSA-N	-1	1	237.215	0.931	20	5		BCBDMM
O=C(NCc1nn[n-]n1)c1cccc([N+](=O)[O-])c1	ZINC000044929355	411142497	/nfs/dbraw/zinc/14/24/97/411142497.db2.gz	NZHPROVTMHVXNM-UHFFFAOYSA-N	-1	1	248.202	0.038	20	5		BCBDMM
O=[N+]([O-])c1ccccc1NCc1nn[n-]n1	ZINC000044931546	411142608	/nfs/dbraw/zinc/14/26/08/411142608.db2.gz	MYSANYOEXGZPLZ-UHFFFAOYSA-N	-1	1	220.192	0.720	20	5		BCBDMM
CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CC1	ZINC000187023494	172346419	/nfs/dbraw/zinc/34/64/19/172346419.db2.gz	MKHAADFHAHLSQF-UHFFFAOYSA-N	-1	1	237.215	0.930	20	5		BCBDMM
O=C([O-])NCCNCc1ccccc1[N+](=O)[O-]	ZINC000740662129	602053234	/nfs/dbraw/zinc/05/32/34/602053234.db2.gz	IZYUFHBDQFHUMC-UHFFFAOYSA-N	-1	1	239.231	0.952	20	5		BCBDMM
O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC2(CC2)C1	ZINC000926459954	632084335	/nfs/dbraw/zinc/08/43/35/632084335.db2.gz	SOQUIQGSGDBZMF-UHFFFAOYSA-N	-1	1	249.226	0.931	20	5		BCBDMM
O=C(Nc1cc[nH]n1)c1ccc([N+](=O)[O-])[n-]1	ZINC000042413752	361998956	/nfs/dbraw/zinc/99/89/56/361998956.db2.gz	OTXIOUZQPDXZOT-UHFFFAOYSA-N	-1	1	221.176	0.898	20	5		BCBDMM
O=[N+]([O-])c1cccnc1SCc1nn[n-]n1	ZINC000435225698	201256124	/nfs/dbraw/zinc/25/61/24/201256124.db2.gz	IQKCJWHFXJEGCI-UHFFFAOYSA-N	-1	1	238.232	0.795	20	5		BCBDMM
O=[N+]([O-])c1ccc(-c2nc(-c3nc[nH]n3)no2)[n-]1	ZINC000349865323	370586889	/nfs/dbraw/zinc/58/68/89/370586889.db2.gz	JYCGWTJNCFQZKB-UHFFFAOYSA-N	-1	1	247.174	0.758	20	5		BCBDMM
O=C(Cc1cccc([N+](=O)[O-])c1)Nc1nnn[n-]1	ZINC000359383443	182042964	/nfs/dbraw/zinc/04/29/64/182042964.db2.gz	FVVVASVPKLIBFW-UHFFFAOYSA-N	-1	1	248.202	0.289	20	5		BCBDMM
O=C(Cc1cccc([N+](=O)[O-])c1)Nc1nn[n-]n1	ZINC000359383443	182042967	/nfs/dbraw/zinc/04/29/67/182042967.db2.gz	FVVVASVPKLIBFW-UHFFFAOYSA-N	-1	1	248.202	0.289	20	5		BCBDMM
O=C(NC1CC1)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000028813030	182100553	/nfs/dbraw/zinc/10/05/53/182100553.db2.gz	FLAIOZAIOFCVNI-UHFFFAOYSA-N	-1	1	223.188	0.175	20	5		BCBDMM
O=C(NCC(F)F)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000176313765	182126118	/nfs/dbraw/zinc/12/61/18/182126118.db2.gz	QUFCHLKMZMTISD-UHFFFAOYSA-N	-1	1	247.157	0.690	20	5		BCBDMM
O=C(NCC1CC1)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000029870574	182140067	/nfs/dbraw/zinc/14/00/67/182140067.db2.gz	XWUJSIKFDAZLGN-UHFFFAOYSA-N	-1	1	237.215	0.423	20	5		BCBDMM
Cn1nccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1	ZINC000338669156	386090735	/nfs/dbraw/zinc/09/07/35/386090735.db2.gz	NXEKUKRCZMIOEY-UHFFFAOYSA-N	-1	1	235.203	0.909	20	5		BCBDMM
C[C@@H]1C[C@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000193535875	388367194	/nfs/dbraw/zinc/36/71/94/388367194.db2.gz	LUKJMSYEUYDSNS-IYSWYEEDSA-N	-1	1	237.215	0.834	20	5		BCBDMM
CC[C@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000070245460	171336751	/nfs/dbraw/zinc/33/67/51/171336751.db2.gz	PTJBTDGFYCBWGH-LURJTMIESA-N	-1	1	239.231	0.811	20	5		BCBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC1CC1	ZINC000823620728	607161686	/nfs/dbraw/zinc/16/16/86/607161686.db2.gz	PEMMQWUHADHFEX-UHFFFAOYSA-N	-1	1	247.218	0.744	20	5		BCBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC1CC1	ZINC000823620728	607161687	/nfs/dbraw/zinc/16/16/87/607161687.db2.gz	PEMMQWUHADHFEX-UHFFFAOYSA-N	-1	1	247.218	0.744	20	5		BCBDMM
Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nnn[n-]1	ZINC000346376470	357035422	/nfs/dbraw/zinc/03/54/22/357035422.db2.gz	OUOMXNTVLSGAKU-UHFFFAOYSA-N	-1	1	248.202	0.669	20	5		BCBDMM
Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nn[n-]n1	ZINC000346376470	357035424	/nfs/dbraw/zinc/03/54/24/357035424.db2.gz	OUOMXNTVLSGAKU-UHFFFAOYSA-N	-1	1	248.202	0.669	20	5		BCBDMM
Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1nnn[n-]1	ZINC000346322131	357021206	/nfs/dbraw/zinc/02/12/06/357021206.db2.gz	HNRKLUMATHEPGO-UHFFFAOYSA-N	-1	1	248.202	0.669	20	5		BCBDMM
Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1nn[n-]n1	ZINC000346322131	357021213	/nfs/dbraw/zinc/02/12/13/357021213.db2.gz	HNRKLUMATHEPGO-UHFFFAOYSA-N	-1	1	248.202	0.669	20	5		BCBDMM
O=C(NCCF)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000281803173	182183868	/nfs/dbraw/zinc/18/38/68/182183868.db2.gz	NWTHXNWDNZBRQJ-UHFFFAOYSA-N	-1	1	229.167	0.395	20	5		BCBDMM
O=[N+]([O-])c1ccc(NCc2nn[n-]n2)cc1	ZINC000044931644	182936539	/nfs/dbraw/zinc/93/65/39/182936539.db2.gz	FQZYOAWFPKVDRX-UHFFFAOYSA-N	-1	1	220.192	0.720	20	5		BCBDMM
C[C@H](CF)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000288230415	383830544	/nfs/dbraw/zinc/83/05/44/383830544.db2.gz	NZJIUZOEUAKGAK-RXMQYKEDSA-N	-1	1	243.194	0.783	20	5		BCBDMM
Cc1cc(C(=O)Nc2nnn[n-]2)ccc1[N+](=O)[O-]	ZINC000006501134	384155771	/nfs/dbraw/zinc/15/57/71/384155771.db2.gz	FEXHGKZPENCECB-UHFFFAOYSA-N	-1	1	248.202	0.669	20	5		BCBDMM
Cc1cc(C(=O)Nc2nn[n-]n2)ccc1[N+](=O)[O-]	ZINC000006501134	384155774	/nfs/dbraw/zinc/15/57/74/384155774.db2.gz	FEXHGKZPENCECB-UHFFFAOYSA-N	-1	1	248.202	0.669	20	5		BCBDMM
O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC(F)C1	ZINC000445163676	388595345	/nfs/dbraw/zinc/59/53/45/388595345.db2.gz	VYALRTPAJJGDKS-UHFFFAOYSA-N	-1	1	241.178	0.489	20	5		BCBDMM
O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCCO1	ZINC000125357354	388783363	/nfs/dbraw/zinc/78/33/63/388783363.db2.gz	ALDCTKHHSORDNP-UHFFFAOYSA-N	-1	1	239.187	0.473	20	5		BCBDMM
O=C(NCc1nn[n-]n1)c1ccc([N+](=O)[O-])cc1	ZINC000044929358	411142431	/nfs/dbraw/zinc/14/24/31/411142431.db2.gz	QYQIUFHBUORZJZ-UHFFFAOYSA-N	-1	1	248.202	0.038	20	5		BCBDMM
C[C@H]1C[C@H]1NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000170807849	177384800	/nfs/dbraw/zinc/38/48/00/177384800.db2.gz	SEDKTGSHVVXFRX-YLWLKBPMSA-N	-1	1	237.215	0.834	20	5		BCBDMM
C=C=CCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000816701173	586758750	/nfs/dbraw/zinc/75/87/50/586758750.db2.gz	JETWNOAVVMJIID-UHFFFAOYSA-N	-1	1	235.199	0.766	20	5		BCBDMM
C=C=CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000816700943	643562347	/nfs/dbraw/zinc/56/23/47/643562347.db2.gz	YVWHUBWBAIDXLB-UHFFFAOYSA-N	-1	1	235.199	0.766	20	5		BCBDMM
O=C(Nc1nnn[n-]1)c1ccc([N+](=O)[O-])cc1	ZINC000013953981	398191827	/nfs/dbraw/zinc/19/18/27/398191827.db2.gz	ODLUTVBIDGJWAA-UHFFFAOYSA-N	-1	1	234.175	0.360	20	5		BCBDMM
O=C(Nc1nn[n-]n1)c1ccc([N+](=O)[O-])cc1	ZINC000013953981	398191828	/nfs/dbraw/zinc/19/18/28/398191828.db2.gz	ODLUTVBIDGJWAA-UHFFFAOYSA-N	-1	1	234.175	0.360	20	5		BCBDMM
C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000307291290	351879422	/nfs/dbraw/zinc/87/94/22/351879422.db2.gz	NFLTXSJHGBVLJJ-UHFFFAOYSA-N	-1	1	222.247	0.564	20	5		BCBDMM
O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC1	ZINC000193166675	353582580	/nfs/dbraw/zinc/58/25/80/353582580.db2.gz	QGJUCLDRNJPQJQ-UHFFFAOYSA-N	-1	1	223.188	0.541	20	5		BCBDMM
Cc1cnc(NCc2nn[n-]n2)c([N+](=O)[O-])c1	ZINC000090692253	363564916	/nfs/dbraw/zinc/56/49/16/363564916.db2.gz	NHOMROYEKRITII-UHFFFAOYSA-N	-1	1	235.207	0.423	20	5		BCBDMM
CC(C)CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000028813031	371658466	/nfs/dbraw/zinc/65/84/66/371658466.db2.gz	PLLPHOWSFDLSDR-UHFFFAOYSA-N	-1	1	239.231	0.669	20	5		BCBDMM
Cc1ccc([N+](=O)[O-])c(C(=O)Nc2nnn[n-]2)c1	ZINC000039438274	372972242	/nfs/dbraw/zinc/97/22/42/372972242.db2.gz	UXRJPOCIDAOHHW-UHFFFAOYSA-N	-1	1	248.202	0.669	20	5		BCBDMM
Cc1ccc([N+](=O)[O-])c(C(=O)Nc2nn[n-]n2)c1	ZINC000039438274	372972248	/nfs/dbraw/zinc/97/22/48/372972248.db2.gz	UXRJPOCIDAOHHW-UHFFFAOYSA-N	-1	1	248.202	0.669	20	5		BCBDMM
O=C(NC1CCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000277648657	182106510	/nfs/dbraw/zinc/10/65/10/182106510.db2.gz	DQZCHEWONSMPEM-UHFFFAOYSA-N	-1	1	237.215	0.978	20	5		BCBDMM
O=C(NCC1CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000186860958	182142510	/nfs/dbraw/zinc/14/25/10/182142510.db2.gz	ZBYILWWIQVLRKJ-UHFFFAOYSA-N	-1	1	237.215	0.835	20	5		BCBDMM
O=C(Nc1cn[nH]c1)c1ccc([N+](=O)[O-])[n-]1	ZINC000035764528	182392527	/nfs/dbraw/zinc/39/25/27/182392527.db2.gz	FELCOHOAVHJHNY-UHFFFAOYSA-N	-1	1	221.176	0.898	20	5		BCBDMM
CCN(CC)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000070245490	384507323	/nfs/dbraw/zinc/50/73/23/384507323.db2.gz	DFQMNINXSISGED-UHFFFAOYSA-N	-1	1	239.231	0.765	20	5		BCBDMM
CCN(C)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000101681683	384687143	/nfs/dbraw/zinc/68/71/43/384687143.db2.gz	HUSZRWACPDRLQW-UHFFFAOYSA-N	-1	1	225.204	0.787	20	5		BCBDMM
CCONC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000186812203	387252261	/nfs/dbraw/zinc/25/22/61/387252261.db2.gz	MJICRDIGBDTLKG-UHFFFAOYSA-N	-1	1	227.176	0.377	20	5		BCBDMM
CC(C)ONC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000295466495	167279689	/nfs/dbraw/zinc/27/96/89/167279689.db2.gz	COAHMOCSZXSIIW-UHFFFAOYSA-N	-1	1	241.203	0.765	20	5		BCBDMM
O=[N+]([O-])c1cccnc1NCc1nn[n-]n1	ZINC000044931621	411142532	/nfs/dbraw/zinc/14/25/32/411142532.db2.gz	PASYFKWAFORJDG-UHFFFAOYSA-N	-1	1	221.180	0.115	20	5		BCBDMM
CC1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1	ZINC000338189137	168189936	/nfs/dbraw/zinc/18/99/36/168189936.db2.gz	HOPNTJVZLQRNIJ-UHFFFAOYSA-N	-1	1	237.215	0.787	20	5		BCBDMM
Cc1cc(NCc2nn[n-]n2)ncc1[N+](=O)[O-]	ZINC000092027076	346751214	/nfs/dbraw/zinc/75/12/14/346751214.db2.gz	DTFXLGRZHWEQHB-UHFFFAOYSA-N	-1	1	235.207	0.423	20	5		BCBDMM
Cc1cccc(C(=O)Nc2nnn[n-]2)c1[N+](=O)[O-]	ZINC000039438276	372971747	/nfs/dbraw/zinc/97/17/47/372971747.db2.gz	RVWGHBBFAVRLMB-UHFFFAOYSA-N	-1	1	248.202	0.669	20	5		BCBDMM
Cc1cccc(C(=O)Nc2nn[n-]n2)c1[N+](=O)[O-]	ZINC000039438276	372971750	/nfs/dbraw/zinc/97/17/50/372971750.db2.gz	RVWGHBBFAVRLMB-UHFFFAOYSA-N	-1	1	248.202	0.669	20	5		BCBDMM
O=C(Nc1ccncc1)c1ccc([N+](=O)[O-])[n-]1	ZINC000340463980	182085123	/nfs/dbraw/zinc/08/51/23/182085123.db2.gz	ZZYMZSKBYDUINK-UHFFFAOYSA-N	-1	1	232.199	0.992	20	5		BCBDMM
O=c1ccn(Cc2ncccc2[O-])cc1[N+](=O)[O-]	ZINC000514714947	384481943	/nfs/dbraw/zinc/48/19/43/384481943.db2.gz	KODGPDJQFAYBOI-UHFFFAOYSA-N	-1	1	247.210	0.905	20	5		BCBDMM
Cc1cnc(OCc2nn[n-]n2)c([N+](=O)[O-])c1	ZINC000271180298	388375329	/nfs/dbraw/zinc/37/53/29/388375329.db2.gz	MBVUDOXYNCNPCS-UHFFFAOYSA-N	-1	1	236.191	0.390	20	5		BCBDMM
O=[N+]([O-])c1ccc(NCc2nn[n-]n2)c(F)c1	ZINC000044931670	411142463	/nfs/dbraw/zinc/14/24/63/411142463.db2.gz	IWRQMIXZMQONEA-UHFFFAOYSA-N	-1	1	238.182	0.859	20	5		BCBDMM
CCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000186768742	170104549	/nfs/dbraw/zinc/10/45/49/170104549.db2.gz	PZYGXUWVNSWUEJ-UHFFFAOYSA-N	-1	1	211.177	0.445	20	5		BCBDMM
CN(C(=O)c1ccc([N+](=O)[O-])[n-]1)c1cn[nH]c1	ZINC000754348022	585282672	/nfs/dbraw/zinc/28/26/72/585282672.db2.gz	CGVUOZKYKMFTCE-UHFFFAOYSA-N	-1	1	235.203	0.923	20	5		BCBDMM
O=C(Nc1c[nH]nn1)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000789927531	585953827	/nfs/dbraw/zinc/95/38/27/585953827.db2.gz	RWBRYPFRWGAJDS-UHFFFAOYSA-N	-1	1	249.186	0.671	20	5		BCBDMM
C[C@@H](O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000792035038	585994378	/nfs/dbraw/zinc/99/43/78/585994378.db2.gz	MRIGVMBCISLRQZ-ZCFIWIBFSA-N	-1	1	241.199	0.838	20	5		BCBDMM
O=C(Nc1c[nH]nn1)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000816317352	586717165	/nfs/dbraw/zinc/71/71/65/586717165.db2.gz	OZNVFPPIXJPWJY-UHFFFAOYSA-N	-1	1	249.186	0.671	20	5		BCBDMM
O=C([O-])COC(=O)c1ccc([N+](=O)[O-])[nH]1	ZINC000738616964	596984205	/nfs/dbraw/zinc/98/42/05/596984205.db2.gz	QDSVDQYDVOPHMZ-UHFFFAOYSA-N	-1	1	214.133	0.164	20	5		BCBDMM
O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCOC1	ZINC000597724851	348792380	/nfs/dbraw/zinc/79/23/80/348792380.db2.gz	RUHQIWXDSYKZTD-UHFFFAOYSA-N	-1	1	239.187	0.125	20	5		BCBDMM
Cn1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cn1	ZINC000340694278	180660022	/nfs/dbraw/zinc/66/00/22/180660022.db2.gz	FNVHGLONGVSRBM-UHFFFAOYSA-N	-1	1	235.203	0.909	20	5		BCBDMM
Cn1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)nn1	ZINC000428539940	201026886	/nfs/dbraw/zinc/02/68/86/201026886.db2.gz	BYCXTHDKFXRDFA-UHFFFAOYSA-N	-1	1	236.191	0.304	20	5		BCBDMM
O=C(N[C@H]1CC12CC2)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000424972164	388699058	/nfs/dbraw/zinc/69/90/58/388699058.db2.gz	PTDHGUBFAQKVOS-QMMMGPOBSA-N	-1	1	249.226	0.978	20	5		BCBDMM
CN(C(=O)c1ccc([N+](=O)[O-])[n-]1)c1cnn(C)c1	ZINC000362610377	172340933	/nfs/dbraw/zinc/34/09/33/172340933.db2.gz	FAERYRSIVQVHIQ-UHFFFAOYSA-N	-1	1	249.230	0.933	20	5		BCBDMM
O=C(NCCCF)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000154158911	326133461	/nfs/dbraw/zinc/13/34/61/326133461.db2.gz	ZHPGIVSDSPTWPV-UHFFFAOYSA-N	-1	1	243.194	0.785	20	5		BCBDMM
C[C@H]1CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000603267374	344472901	/nfs/dbraw/zinc/47/29/01/344472901.db2.gz	SKJRLXQMWCWSOW-LURJTMIESA-N	-1	1	237.215	0.930	20	5		BCBDMM
C[C@H]1CCN1C(=O)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000604438282	371977499	/nfs/dbraw/zinc/97/74/99/371977499.db2.gz	AVOOMSGJNCDCKZ-LURJTMIESA-N	-1	1	237.215	0.930	20	5		BCBDMM
CC(C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000028812851	167084946	/nfs/dbraw/zinc/08/49/46/167084946.db2.gz	YHLCRWBAORVRHH-UHFFFAOYSA-N	-1	1	225.204	0.421	20	5		BCBDMM
CN(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000186805608	172391807	/nfs/dbraw/zinc/39/18/07/172391807.db2.gz	NOQBTWRSHGMHHB-UHFFFAOYSA-N	-1	1	211.177	0.397	20	5		BCBDMM
O=C(OCCO)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000780068627	585772126	/nfs/dbraw/zinc/77/21/26/585772126.db2.gz	LTLLHROFGPOJJY-UHFFFAOYSA-N	-1	1	227.172	0.450	20	5		BCBDMM
O=C([O-])CNC(=O)c1cc(O)cc([N+](=O)[O-])c1	ZINC000821533492	587126755	/nfs/dbraw/zinc/12/67/55/587126755.db2.gz	QHCHDTYBKAUCJT-UHFFFAOYSA-N	-1	1	240.171	0.115	20	5		BCBDMM
C[C@@H]1CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000603267375	344472873	/nfs/dbraw/zinc/47/28/73/344472873.db2.gz	SKJRLXQMWCWSOW-ZCFIWIBFSA-N	-1	1	237.215	0.930	20	5		BCBDMM
Cc1nc(NCc2nn[n-]n2)ccc1[N+](=O)[O-]	ZINC000161551392	370369259	/nfs/dbraw/zinc/36/92/59/370369259.db2.gz	FGYVZKSUXKVDAI-UHFFFAOYSA-N	-1	1	235.207	0.423	20	5		BCBDMM
Cc1ccnc(NCc2nn[n-]n2)c1[N+](=O)[O-]	ZINC000070496219	371037108	/nfs/dbraw/zinc/03/71/08/371037108.db2.gz	PGZSKVJZLVYRJJ-UHFFFAOYSA-N	-1	1	235.207	0.423	20	5		BCBDMM
C[C@@H](CF)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000288321464	383861240	/nfs/dbraw/zinc/86/12/40/383861240.db2.gz	RZIODFSBKHMMBM-YFKPBYRVSA-N	-1	1	243.194	0.783	20	5		BCBDMM
O=C(N[C@@H]1CC12CC2)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000425328688	388702941	/nfs/dbraw/zinc/70/29/41/388702941.db2.gz	UNOHEJBJLZFCCU-MRVPVSSYSA-N	-1	1	249.226	0.978	20	5		BCBDMM
Cn1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)n1	ZINC000344431416	411844567	/nfs/dbraw/zinc/84/45/67/411844567.db2.gz	VZBICROHMVHYKK-UHFFFAOYSA-N	-1	1	235.203	0.909	20	5		BCBDMM
CN(C(=O)c1ccc([N+](=O)[O-])[n-]1)c1ccn(C)n1	ZINC000358445698	172341607	/nfs/dbraw/zinc/34/16/07/172341607.db2.gz	LAFHCHWZFNXFMO-UHFFFAOYSA-N	-1	1	249.230	0.933	20	5		BCBDMM
C[C@H]1C[C@@H]1NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000170807846	177347816	/nfs/dbraw/zinc/34/78/16/177347816.db2.gz	SEDKTGSHVVXFRX-XNCJUZBTSA-N	-1	1	237.215	0.834	20	5		BCBDMM
O=C(Nc1c[nH]nn1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000763200012	585444483	/nfs/dbraw/zinc/44/44/83/585444483.db2.gz	WQZVSOPPIYTKEL-UHFFFAOYSA-N	-1	1	249.186	0.671	20	5		BCBDMM
O=C(Nc1c[nH]nn1)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000788163620	585918826	/nfs/dbraw/zinc/91/88/26/585918826.db2.gz	FMOBJTITWAYSJC-UHFFFAOYSA-N	-1	1	249.186	0.671	20	5		BCBDMM
CO[N-]C(=O)CNCc1csc([N+](=O)[O-])c1	ZINC000922831354	644111737	/nfs/dbraw/zinc/11/17/37/644111737.db2.gz	YYPXJEVVZZWGQB-UHFFFAOYSA-N	-1	1	245.260	0.424	20	5		BCBDMM
O=C(Nc1nn[n-]n1)c1csc([N+](=O)[O-])c1	ZINC000342857253	398162851	/nfs/dbraw/zinc/16/28/51/398162851.db2.gz	LCKZBMBZBBADSV-UHFFFAOYSA-N	-1	1	240.204	0.422	20	5		BCBDMM
Cc1cc(C)c([N+](=O)[O-])c(NCc2nn[n-]n2)n1	ZINC000611616224	344774388	/nfs/dbraw/zinc/77/43/88/344774388.db2.gz	AGAPQKQDKYMHBL-UHFFFAOYSA-N	-1	1	249.234	0.732	20	5		BCBDMM
Cc1n[nH]cc1[N-]c1ncc([N+](=O)[O-])c(N)n1	ZINC000076269316	344799608	/nfs/dbraw/zinc/79/96/08/344799608.db2.gz	POSNOQUBRMGQSR-UHFFFAOYSA-N	-1	1	235.207	0.742	20	5		BCBDMM
Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nn[n-]n1	ZINC000346344273	357026086	/nfs/dbraw/zinc/02/60/86/357026086.db2.gz	HIHCTPPZUNQOGK-UHFFFAOYSA-N	-1	1	249.190	0.064	20	5		BCBDMM
O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCCC1	ZINC000028812874	371660130	/nfs/dbraw/zinc/66/01/30/371660130.db2.gz	LHEMPUZVLZDKIZ-UHFFFAOYSA-N	-1	1	237.215	0.519	20	5		BCBDMM
O=C(NCC(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000193658882	182125681	/nfs/dbraw/zinc/12/56/81/182125681.db2.gz	BQVCVMZOPFYNRH-UHFFFAOYSA-N	-1	1	247.157	0.690	20	5		BCBDMM
CCCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000028812902	169250630	/nfs/dbraw/zinc/25/06/30/169250630.db2.gz	NIPKFJIPEYMWFI-UHFFFAOYSA-N	-1	1	225.204	0.423	20	5		BCBDMM
CC1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1	ZINC000408163930	385584619	/nfs/dbraw/zinc/58/46/19/385584619.db2.gz	FROYHKGXZAEGLJ-UHFFFAOYSA-N	-1	1	237.215	0.787	20	5		BCBDMM
CC(C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000525184186	388680621	/nfs/dbraw/zinc/68/06/21/388680621.db2.gz	AIXTYCKYEJHLIP-UHFFFAOYSA-N	-1	1	245.260	0.677	20	5		BCBDMM
O=C(N[C@@H]1CC12CC2)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000424972161	388699957	/nfs/dbraw/zinc/69/99/57/388699957.db2.gz	PTDHGUBFAQKVOS-MRVPVSSYSA-N	-1	1	249.226	0.978	20	5		BCBDMM
CON(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000186746549	397972993	/nfs/dbraw/zinc/97/29/93/397972993.db2.gz	IZCWNGLNKOUDLD-UHFFFAOYSA-N	-1	1	227.176	0.329	20	5		BCBDMM
CC(C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000186733277	167089864	/nfs/dbraw/zinc/08/98/64/167089864.db2.gz	GQSZTASYQDFQCI-UHFFFAOYSA-N	-1	1	225.204	0.834	20	5		BCBDMM
O=[N+]([O-])c1ccc(NCc2nn[n-]n2)nc1	ZINC000044931542	411142632	/nfs/dbraw/zinc/14/26/32/411142632.db2.gz	DVMIZFCUVBGNFQ-UHFFFAOYSA-N	-1	1	221.180	0.115	20	5		BCBDMM
C[C@H](O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000792035035	585994292	/nfs/dbraw/zinc/99/42/92/585994292.db2.gz	MRIGVMBCISLRQZ-LURJTMIESA-N	-1	1	241.199	0.838	20	5		BCBDMM
CCCONC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000844087651	588165377	/nfs/dbraw/zinc/16/53/77/588165377.db2.gz	BBYWKWXIVHLYLN-UHFFFAOYSA-N	-1	1	241.203	0.767	20	5		BCBDMM
O=C(NC1CCC1)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000264467458	182106207	/nfs/dbraw/zinc/10/62/07/182106207.db2.gz	TXBQJAYDXLAKAM-UHFFFAOYSA-N	-1	1	237.215	0.978	20	5		BCBDMM
CCCCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000028813038	388350366	/nfs/dbraw/zinc/35/03/66/388350366.db2.gz	CBDDOQNRIDTODI-UHFFFAOYSA-N	-1	1	239.231	0.813	20	5		BCBDMM
O=C(NCc1nn[n-]n1)c1ccccc1[N+](=O)[O-]	ZINC000044929357	411142502	/nfs/dbraw/zinc/14/25/02/411142502.db2.gz	OOXOUINKXAFRTC-UHFFFAOYSA-N	-1	1	248.202	0.038	20	5		BCBDMM
Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)nn1C	ZINC000439608344	411635767	/nfs/dbraw/zinc/63/57/67/411635767.db2.gz	YUFQYLZQDIZLNM-UHFFFAOYSA-N	-1	1	249.230	1.217	20	5		BCBDMM
CN(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C1CC1	ZINC000171116960	172337491	/nfs/dbraw/zinc/33/74/91/172337491.db2.gz	REHREWVSNPQBRG-UHFFFAOYSA-N	-1	1	237.215	0.930	20	5		BCBDMM
O=C(OCCCO)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000780071443	585772128	/nfs/dbraw/zinc/77/21/28/585772128.db2.gz	HKABRAYTELIUSR-UHFFFAOYSA-N	-1	1	241.199	0.840	20	5		BCBDMM
C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000162334895	634078295	/nfs/dbraw/zinc/07/82/95/634078295.db2.gz	QUYUVPSKVYAGQM-UHFFFAOYSA-N	-1	1	234.208	0.642	20	5		BCBDMM
O=[N+]([O-])c1cc(F)ccc1NCc1nn[n-]n1	ZINC000134502610	342860217	/nfs/dbraw/zinc/86/02/17/342860217.db2.gz	UKLOYIHPYSLOCX-UHFFFAOYSA-N	-1	1	238.182	0.859	20	5		BCBDMM
O=C(Cc1ccccc1[N+](=O)[O-])Nc1nnn[n-]1	ZINC000060850190	344397434	/nfs/dbraw/zinc/39/74/34/344397434.db2.gz	YHJYNCDCTWMWQR-UHFFFAOYSA-N	-1	1	248.202	0.289	20	5		BCBDMM
O=C(Cc1ccccc1[N+](=O)[O-])Nc1nn[n-]n1	ZINC000060850190	344397435	/nfs/dbraw/zinc/39/74/35/344397435.db2.gz	YHJYNCDCTWMWQR-UHFFFAOYSA-N	-1	1	248.202	0.289	20	5		BCBDMM
O=[N+]([O-])c1cccc(F)c1NCc1nn[n-]n1	ZINC000383860232	350985331	/nfs/dbraw/zinc/98/53/31/350985331.db2.gz	YTPGTPCGNSYCJX-UHFFFAOYSA-N	-1	1	238.182	0.859	20	5		BCBDMM
O=[N+]([O-])c1ccc(NCc2nn[n-]n2)cn1	ZINC000053297707	182936671	/nfs/dbraw/zinc/93/66/71/182936671.db2.gz	OONDFTHVDNENSO-UHFFFAOYSA-N	-1	1	221.180	0.115	20	5		BCBDMM
C[C@H](CF)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000288321461	383860973	/nfs/dbraw/zinc/86/09/73/383860973.db2.gz	RZIODFSBKHMMBM-RXMQYKEDSA-N	-1	1	243.194	0.783	20	5		BCBDMM
CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-]	ZINC000821314759	587106907	/nfs/dbraw/zinc/10/69/07/587106907.db2.gz	NIKJUGOXKDEFSG-UHFFFAOYSA-N	-1	1	235.207	0.602	20	5		BCBDMM
CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-]	ZINC000821314759	587106909	/nfs/dbraw/zinc/10/69/09/587106909.db2.gz	NIKJUGOXKDEFSG-UHFFFAOYSA-N	-1	1	235.207	0.602	20	5		BCBDMM
O=[N+]([O-])c1ncccc1NCc1nn[n-]n1	ZINC000157140390	343926304	/nfs/dbraw/zinc/92/63/04/343926304.db2.gz	XBELNVKLXFXERZ-UHFFFAOYSA-N	-1	1	221.180	0.115	20	5		BCBDMM
O=C([N-]c1nc[nH]n1)c1ccc([N+](=O)[O-])cn1	ZINC000532407915	411632311	/nfs/dbraw/zinc/63/23/11/411632311.db2.gz	HMDWVANBNGYCMJ-UHFFFAOYSA-N	-1	1	234.175	0.360	20	5		BCBDMM
O=C(Nc1nncs1)c1ccc([N+](=O)[O-])[n-]1	ZINC000343497975	411663091	/nfs/dbraw/zinc/66/30/91/411663091.db2.gz	YCZNBIZJSMGGGN-UHFFFAOYSA-N	-1	1	239.216	1.027	20	5		BCBDMM
O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC2(CC2)C1	ZINC000900047686	584268567	/nfs/dbraw/zinc/26/85/67/584268567.db2.gz	RHALHBBSCWHFFR-UHFFFAOYSA-N	-1	1	249.226	0.931	20	5		BCBDMM
C[N@@H+](CC(=O)[O-])Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000593289604	347878487	/nfs/dbraw/zinc/87/84/87/347878487.db2.gz	YMKRVCNQAXUHJK-UHFFFAOYSA-N	-1	1	240.215	0.817	20	5		BCBDMM
O=C(NCCCF)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000189910261	353771255	/nfs/dbraw/zinc/77/12/55/353771255.db2.gz	PNFGQKOGKFZGFS-UHFFFAOYSA-N	-1	1	243.194	0.785	20	5		BCBDMM
O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC(F)C1	ZINC000346025398	356954681	/nfs/dbraw/zinc/95/46/81/356954681.db2.gz	NFWQKJTUCXOKEY-UHFFFAOYSA-N	-1	1	241.178	0.489	20	5		BCBDMM
C[C@@H]1CCN1C(=O)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000604438283	371977568	/nfs/dbraw/zinc/97/75/68/371977568.db2.gz	AVOOMSGJNCDCKZ-ZCFIWIBFSA-N	-1	1	237.215	0.930	20	5		BCBDMM
CC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000070245458	384506829	/nfs/dbraw/zinc/50/68/29/384506829.db2.gz	PTJBTDGFYCBWGH-ZCFIWIBFSA-N	-1	1	239.231	0.811	20	5		BCBDMM
Cc1nonc1[N-]C(=O)c1ccc([N+](=O)[O-])cn1	ZINC000762296843	585430576	/nfs/dbraw/zinc/43/05/76/585430576.db2.gz	CUQDYYBTEPTLMS-UHFFFAOYSA-N	-1	1	249.186	0.934	20	5		BCBDMM
O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1C[C@@H]2C[C@@H]2C1	ZINC000600219855	371652447	/nfs/dbraw/zinc/65/24/47/371652447.db2.gz	NLEHFSAGLBTJCF-OCAPTIKFSA-N	-1	1	249.226	0.787	20	5		BCBDMM
O=C(NC1CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000186775785	182102166	/nfs/dbraw/zinc/10/21/66/182102166.db2.gz	RIFRLFBFFYVIAH-UHFFFAOYSA-N	-1	1	223.188	0.588	20	5		BCBDMM
Cc1cc(C(=O)Nc2nnn[n-]2)cc([N+](=O)[O-])c1	ZINC000102895234	384581307	/nfs/dbraw/zinc/58/13/07/384581307.db2.gz	XLRINPIFBRHIAS-UHFFFAOYSA-N	-1	1	248.202	0.669	20	5		BCBDMM
Cc1cc(C(=O)Nc2nn[n-]n2)cc([N+](=O)[O-])c1	ZINC000102895234	384581314	/nfs/dbraw/zinc/58/13/14/384581314.db2.gz	XLRINPIFBRHIAS-UHFFFAOYSA-N	-1	1	248.202	0.669	20	5		BCBDMM
CN(CCF)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000293970308	385776980	/nfs/dbraw/zinc/77/69/80/385776980.db2.gz	UPTVDBNFIJNJBG-UHFFFAOYSA-N	-1	1	243.194	0.737	20	5		BCBDMM
O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCO1	ZINC000193904999	388470456	/nfs/dbraw/zinc/47/04/56/388470456.db2.gz	ZHVXTMACDYNXKV-UHFFFAOYSA-N	-1	1	239.187	0.473	20	5		BCBDMM
O=[N+]([O-])c1cnccc1NCc1nn[n-]n1	ZINC000044931639	411142423	/nfs/dbraw/zinc/14/24/23/411142423.db2.gz	JUJCHAOBKIMTGZ-UHFFFAOYSA-N	-1	1	221.180	0.115	20	5		BCBDMM
O=C(Nc1c[nH]nn1)c1cccc([N+](=O)[O-])c1[O-]	ZINC000789929557	585954305	/nfs/dbraw/zinc/95/43/05/585954305.db2.gz	ZSKRZCLCMRXWMF-UHFFFAOYSA-N	-1	1	249.186	0.671	20	5		BCBDMM
O=C([O-])NCCOC(=O)c1ccc([N+](=O)[O-])[nH]1	ZINC000739978701	602217063	/nfs/dbraw/zinc/21/70/63/602217063.db2.gz	YQMKHPSMIGIRCG-UHFFFAOYSA-N	-1	1	243.175	0.347	20	5		BCBDMM
O=C(Cn1cnc([N+](=O)[O-])n1)c1ccc([O-])cc1	ZINC000603917331	371941693	/nfs/dbraw/zinc/94/16/93/371941693.db2.gz	VTHBJPDGDBNZDS-UHFFFAOYSA-N	-1	1	248.198	0.775	20	5		BCBDMM
O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1nnn[n-]1	ZINC000013953216	182037731	/nfs/dbraw/zinc/03/77/31/182037731.db2.gz	SEZWUMISNGGZPQ-UHFFFAOYSA-N	-1	1	248.202	0.289	20	5		BCBDMM
O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1nn[n-]n1	ZINC000013953216	182037733	/nfs/dbraw/zinc/03/77/33/182037733.db2.gz	SEZWUMISNGGZPQ-UHFFFAOYSA-N	-1	1	248.202	0.289	20	5		BCBDMM
O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC1	ZINC000193370242	182697501	/nfs/dbraw/zinc/69/75/01/182697501.db2.gz	QTINNKXUKXFLDH-UHFFFAOYSA-N	-1	1	223.188	0.541	20	5		BCBDMM
Cc1ccc(C(=O)Nc2nnn[n-]2)cc1[N+](=O)[O-]	ZINC000006503932	384155927	/nfs/dbraw/zinc/15/59/27/384155927.db2.gz	OWPXCCOVYJLYOE-UHFFFAOYSA-N	-1	1	248.202	0.669	20	5		BCBDMM
Cc1ccc(C(=O)Nc2nn[n-]n2)cc1[N+](=O)[O-]	ZINC000006503932	384155930	/nfs/dbraw/zinc/15/59/30/384155930.db2.gz	OWPXCCOVYJLYOE-UHFFFAOYSA-N	-1	1	248.202	0.669	20	5		BCBDMM
COCCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000186735458	387024043	/nfs/dbraw/zinc/02/40/43/387024043.db2.gz	MHQAJKWPXGGWLZ-UHFFFAOYSA-N	-1	1	241.203	0.072	20	5		BCBDMM
CCCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000186751688	387404525	/nfs/dbraw/zinc/40/45/25/387404525.db2.gz	NBIVBCXRBUNIQZ-UHFFFAOYSA-N	-1	1	225.204	0.835	20	5		BCBDMM
O=C(N[C@H]1CC12CC2)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000425328693	388703500	/nfs/dbraw/zinc/70/35/00/388703500.db2.gz	UNOHEJBJLZFCCU-QMMMGPOBSA-N	-1	1	249.226	0.978	20	5		BCBDMM
O=C(NCCF)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000280775238	388787607	/nfs/dbraw/zinc/78/76/07/388787607.db2.gz	NICRSLPMONBKTI-UHFFFAOYSA-N	-1	1	229.167	0.395	20	5		BCBDMM
Cn1cnnc1[N-]C(=O)c1ccc([N+](=O)[O-])o1	ZINC000164073774	135213573	/nfs/dbraw/zinc/21/35/73/135213573.db2.gz	QDZPNTZLEQENSA-UHFFFAOYSA-N	-1	1	237.175	0.569	20	5		BCBDMM
Cc1cc([N+](=O)[O-])cnc1NCc1nn[n-]n1	ZINC000052812829	491118341	/nfs/dbraw/zinc/11/83/41/491118341.db2.gz	UWTPXZVCYOIZGM-UHFFFAOYSA-N	-1	1	235.207	0.423	20	5		BCBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC1	ZINC000823620771	607166575	/nfs/dbraw/zinc/16/65/75/607166575.db2.gz	PUOATIWGROWERP-UHFFFAOYSA-N	-1	1	247.218	0.380	20	5		BCBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC1	ZINC000823620771	607166576	/nfs/dbraw/zinc/16/65/76/607166576.db2.gz	PUOATIWGROWERP-UHFFFAOYSA-N	-1	1	247.218	0.380	20	5		BCBDMM