smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nnc(Sc2ccc(C(=O)[O-])cc2[N+](=O)[O-])n1N	ZINC000013461599	356266409	/nfs/dbraw/zinc/26/64/09/356266409.db2.gz	SUHPJSYCLXJBMB-UHFFFAOYSA-N	-1	0	295.280	1.058	40	5		CDBBRM
O=c1nc2oc3ccc(Br)cc3cc-2c(=O)[n-]1	ZINC000003159504	364895379	/nfs/dbraw/zinc/89/53/79/364895379.db2.gz	XOVRHBBCSJZTID-UHFFFAOYSA-N	-1	0	293.076	1.744	40	5		CDBBRM
COC(CNc1ccc([N+](=O)[O-])cc1C(=O)[O-])OC	ZINC000408712509	292080431	/nfs/dbraw/zinc/08/04/31/292080431.db2.gz	ZVLMPCWLIKSQRA-UHFFFAOYSA-N	-1	0	270.241	1.324	40	5		CDBBRM
C[C@H](NC(=O)OCc1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000038881906	174158639	/nfs/dbraw/zinc/15/86/39/174158639.db2.gz	FBXGPDYBCJGWQM-ZETCQYMHSA-N	-1	0	268.225	1.294	40	5		CDBBRM
O=C([O-])/C=C/NC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000222698270	534480863	/nfs/dbraw/zinc/48/08/63/534480863.db2.gz	RWXSADDWTPOXKE-SNAWJCMRSA-N	-1	0	251.198	1.315	40	5		CDBBRM
COc1nn([C@@H](CC(=O)[O-])C(F)(F)F)cc1[N+](=O)[O-]	ZINC000685936503	539098880	/nfs/dbraw/zinc/09/88/80/539098880.db2.gz	BVFZEEWLPQTWIZ-YFKPBYRVSA-N	-1	0	283.162	1.378	40	5		CDBBRM
O=C([O-])C1=Nc2ncnn2[C@H](c2ccc([N+](=O)[O-])cc2)C1	ZINC000100646384	304035524	/nfs/dbraw/zinc/03/55/24/304035524.db2.gz	FHEGNQAYWPIEPY-JTQLQIEISA-N	-1	0	287.235	1.170	40	5		CDBBRM
COc1cc(OC)c([N+](=O)[O-])cc1/C=C\C(=O)[O-]	ZINC000017156613	367029316	/nfs/dbraw/zinc/02/93/16/367029316.db2.gz	NFRQBXNHBOPENN-ARJAWSKDSA-N	-1	0	253.210	1.710	40	5		CDBBRM
O=C([O-])c1cnn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1	ZINC000003852434	304279857	/nfs/dbraw/zinc/27/98/57/304279857.db2.gz	AECXKSPXCPRWAY-UHFFFAOYSA-N	-1	0	278.180	1.387	40	5		CDBBRM
CCOc1ccc(N2C[C@@H](C(=O)[O-])CC2=O)c([N+](=O)[O-])c1	ZINC000070461186	175943049	/nfs/dbraw/zinc/94/30/49/175943049.db2.gz	HCEPYSWBUFAIDT-QMMMGPOBSA-N	-1	0	294.263	1.431	40	5		CDBBRM
Cc1cn([C@@H](CC(=O)[O-])C(F)(F)F)nc1[N+](=O)[O-]	ZINC000675031821	539083784	/nfs/dbraw/zinc/08/37/84/539083784.db2.gz	PCAHBAGWUFPHHQ-YFKPBYRVSA-N	-1	0	267.163	1.678	40	5		CDBBRM
C[C@@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000019505788	357262946	/nfs/dbraw/zinc/26/29/46/357262946.db2.gz	SKTHPROSYBVKPZ-HQZHTGGTSA-N	-1	0	264.237	1.197	40	5		CDBBRM
O=C([O-])CCc1nc(-c2cccc([N+](=O)[O-])c2)no1	ZINC000001440362	360797026	/nfs/dbraw/zinc/79/70/26/360797026.db2.gz	LTHVWDQMZRCARH-UHFFFAOYSA-N	-1	0	263.209	1.662	40	5		CDBBRM
O=c1cc(NCc2cc([N+](=O)[O-])ccc2Cl)[nH]c(=O)[nH]1	ZINC000001750721	374372093	/nfs/dbraw/zinc/37/20/93/374372093.db2.gz	NCGYGGUVTFVKHE-UHFFFAOYSA-N	-1	0	296.670	1.237	40	5		CDBBRM
CCOC(=O)n1[n-]c(=O)c2cc([N+](=O)[O-])ccc21	ZINC000072226358	285979497	/nfs/dbraw/zinc/97/94/97/285979497.db2.gz	PZZXOYLHFQSEQP-UHFFFAOYSA-N	-1	0	251.198	1.655	40	5		CDBBRM
O=C([O-])CC(=O)c1c(F)c(F)c(F)c(F)c1[N+](=O)[O-]	ZINC000039953645	174177899	/nfs/dbraw/zinc/17/78/99/174177899.db2.gz	VBDBFFNBONCBTO-UHFFFAOYSA-N	-1	0	281.117	1.809	40	5		CDBBRM
COc1ccc(-c2n[nH]cc2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000071980930	176307768	/nfs/dbraw/zinc/30/77/68/176307768.db2.gz	XSVCYIDOTKMJDU-UHFFFAOYSA-N	-1	0	263.209	1.692	40	5		CDBBRM
NC(=O)c1cc(Br)cc([N+](=O)[O-])c1[O-]	ZINC000073636339	303339861	/nfs/dbraw/zinc/33/98/61/303339861.db2.gz	SSGZMICESZQDHU-UHFFFAOYSA-N	-1	0	261.031	1.162	40	5		CDBBRM
C[C@H](CC(=O)[O-])n1cc([N+](=O)[O-])c(OCC(F)F)n1	ZINC000408716302	360038197	/nfs/dbraw/zinc/03/81/97/360038197.db2.gz	LEBJPQZSCOJAJS-RXMQYKEDSA-N	-1	0	279.199	1.471	40	5		CDBBRM
C[C@H](Cn1cc([N+](=O)[O-])c(OCC(F)F)n1)C(=O)[O-]	ZINC000408715724	360039401	/nfs/dbraw/zinc/03/94/01/360039401.db2.gz	CXODYHCWEUGTJU-RXMQYKEDSA-N	-1	0	279.199	1.156	40	5		CDBBRM
CC(C)[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000019435344	357254760	/nfs/dbraw/zinc/25/47/60/357254760.db2.gz	WXRZQTPLVYCUAM-LJLILKBBSA-N	-1	0	292.291	1.833	40	5		CDBBRM
O=C([O-])c1cccn(OCc2ccc([N+](=O)[O-])cc2)c1=O	ZINC000041670634	379442458	/nfs/dbraw/zinc/44/24/58/379442458.db2.gz	KPILTUVGGCGRJO-UHFFFAOYSA-N	-1	0	290.231	1.084	40	5		CDBBRM
COc1cc(OC)c([N+](=O)[O-])cc1/C=C/C(=O)[O-]	ZINC000001594117	169721499	/nfs/dbraw/zinc/72/14/99/169721499.db2.gz	NFRQBXNHBOPENN-ONEGZZNKSA-N	-1	0	253.210	1.710	40	5		CDBBRM
CS(=O)(=O)c1ccc(/C=C/C(=O)[O-])c([N+](=O)[O-])c1	ZINC000044214749	175154180	/nfs/dbraw/zinc/15/41/80/175154180.db2.gz	SCMDRZZBDPGZMZ-HWKANZROSA-N	-1	0	271.250	1.096	40	5		CDBBRM
O=C([O-])C[C@@H](n1ccc([N+](=O)[O-])n1)C(F)(F)F	ZINC000685936533	539098910	/nfs/dbraw/zinc/09/89/10/539098910.db2.gz	DQBQJCXICMOCEV-SCSAIBSYSA-N	-1	0	253.136	1.369	40	5		CDBBRM
Cc1ccccc1[N-]S(=O)(=O)c1c([N+](=O)[O-])ncn1C	ZINC000006133770	170178977	/nfs/dbraw/zinc/17/89/77/170178977.db2.gz	YJCKWPQUELOFRA-UHFFFAOYSA-N	-1	0	296.308	1.438	40	5		CDBBRM
C[C@]1(C(=O)[O-])CC(c2cccc([N+](=O)[O-])c2)=NO1	ZINC000071980998	176307929	/nfs/dbraw/zinc/30/79/29/176307929.db2.gz	LKAINDQBTCSWAP-LLVKDONJSA-N	-1	0	250.210	1.563	40	5		CDBBRM
CCOC(=O)c1cn([C@@H](CC)C(=O)[O-])nc1[N+](=O)[O-]	ZINC000408715604	528283747	/nfs/dbraw/zinc/28/37/47/528283747.db2.gz	BYMUGHDDPGFFRJ-ZETCQYMHSA-N	-1	0	271.229	1.004	40	5		CDBBRM
O=c1cc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[n-]o1	ZINC000071976602	285081295	/nfs/dbraw/zinc/08/12/95/285081295.db2.gz	XEBNMFGECLNMMX-UHFFFAOYSA-N	-1	0	251.154	1.864	40	5		CDBBRM
CCOc1ccc(NC(=O)/C=C/C(=O)[O-])c([N+](=O)[O-])c1	ZINC000005247631	170078802	/nfs/dbraw/zinc/07/88/02/170078802.db2.gz	FLESIQSNLIUBLG-AATRIKPKSA-N	-1	0	280.236	1.573	40	5		CDBBRM
O=[N+]([O-])c1cc(I)c([O-])c(CO)c1	ZINC000008727973	304800953	/nfs/dbraw/zinc/80/09/53/304800953.db2.gz	YWUXHAJOTCDTEM-UHFFFAOYSA-N	-1	0	295.032	1.397	40	5		CDBBRM
COCCOc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-]	ZINC000002383440	374236455	/nfs/dbraw/zinc/23/64/55/374236455.db2.gz	CLUHKBFRXSEJSB-HWKANZROSA-N	-1	0	267.237	1.718	40	5		CDBBRM
Cc1c([N+](=O)[O-])cccc1N1N=C(C(=O)[O-])CC1=O	ZINC000217702825	375712031	/nfs/dbraw/zinc/71/20/31/375712031.db2.gz	YUJXMCXTIFLFJU-UHFFFAOYSA-N	-1	0	263.209	1.493	40	5		CDBBRM
Cc1c([N+](=O)[O-])cc(S(=O)(=O)[O-])cc1[N+](=O)[O-]	ZINC000001651912	301013211	/nfs/dbraw/zinc/01/32/11/301013211.db2.gz	SWBCSBNHMVLMKP-UHFFFAOYSA-N	-1	0	262.199	1.058	40	5		CDBBRM
Cc1nc2[n-]c(C(F)(F)F)nn2c(=O)c1[N+](=O)[O-]	ZINC000001304609	346030189	/nfs/dbraw/zinc/03/01/89/346030189.db2.gz	BPDYMOMMRHIGOX-UHFFFAOYSA-N	-1	0	263.135	1.065	40	5		CDBBRM
CCCN1C(=O)N/C(=C/c2cc([O-])ccc2[N+](=O)[O-])C1=O	ZINC000409238916	360202369	/nfs/dbraw/zinc/20/23/69/360202369.db2.gz	OJKRVZPOJFHDPQ-JXMROGBWSA-N	-1	0	291.263	1.603	40	5		CDBBRM
O=C([O-])c1cnc(COc2ccccc2[N+](=O)[O-])nc1	ZINC000217380538	375628728	/nfs/dbraw/zinc/62/87/28/375628728.db2.gz	RQKNKQVTXBHNDJ-UHFFFAOYSA-N	-1	0	275.220	1.662	40	5		CDBBRM
O=C([O-])CCc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2	ZINC000003845234	304064226	/nfs/dbraw/zinc/06/42/26/304064226.db2.gz	NCDDBJLLVVGJOA-UHFFFAOYSA-N	-1	0	264.237	1.497	40	5		CDBBRM
CC(C)(C(=O)[O-])n1cc([N+](=O)[O-])c(OCC(F)(F)F)n1	ZINC000408715921	360038246	/nfs/dbraw/zinc/03/82/46/360038246.db2.gz	GTPTWPFHBMBYIY-UHFFFAOYSA-N	-1	0	297.189	1.552	40	5		CDBBRM
O=C([O-])CCCn1cc([N+](=O)[O-])c(OCC(F)(F)F)n1	ZINC000408715542	360039089	/nfs/dbraw/zinc/03/90/89/360039089.db2.gz	BNRSFNHOHWEYGR-UHFFFAOYSA-N	-1	0	297.189	1.597	40	5		CDBBRM
O=C([O-])c1cn(Cc2cccc(F)c2F)nc1[N+](=O)[O-]	ZINC000408717047	360039358	/nfs/dbraw/zinc/03/93/58/360039358.db2.gz	VEKHKLFCULTTFB-UHFFFAOYSA-N	-1	0	283.190	1.816	40	5		CDBBRM
CCOC(=O)NC(=S)[N-]c1cn(C)cc1[N+](=O)[O-]	ZINC000005828316	170144473	/nfs/dbraw/zinc/14/44/73/170144473.db2.gz	GJGMTKNJVGVZNG-UHFFFAOYSA-N	-1	0	272.286	1.376	40	5		CDBBRM
O=C([O-])c1cn(Cc2ccccc2F)nc1[N+](=O)[O-]	ZINC000408715897	230408433	/nfs/dbraw/zinc/40/84/33/230408433.db2.gz	GLLDDZKBNCVJNZ-UHFFFAOYSA-N	-1	0	265.200	1.677	40	5		CDBBRM
CCS(=O)(=O)C=C([O-])c1ccc([N+](=O)[O-])cc1	ZINC000081907198	374561892	/nfs/dbraw/zinc/56/18/92/374561892.db2.gz	MMYBOAIKRSHYLV-UHFFFAOYSA-N	-1	0	257.267	1.212	40	5		CDBBRM
Cc1c([N+](=O)[O-])ccc(S(=O)(=O)[O-])c1[N+](=O)[O-]	ZINC000002529766	301013237	/nfs/dbraw/zinc/01/32/37/301013237.db2.gz	PNMMYPNEHJVPCA-UHFFFAOYSA-N	-1	0	262.199	1.058	40	5		CDBBRM
O=C([O-])C[C@H](n1ccc([N+](=O)[O-])n1)C(F)(F)F	ZINC000685936532	539098922	/nfs/dbraw/zinc/09/89/22/539098922.db2.gz	DQBQJCXICMOCEV-BYPYZUCNSA-N	-1	0	253.136	1.369	40	5		CDBBRM
O=C([O-])/C=C/c1cc2[nH]c(=O)ccc2cc1[N+](=O)[O-]	ZINC000003845233	304023858	/nfs/dbraw/zinc/02/38/58/304023858.db2.gz	BWHNFESRPPVREE-DUXPYHPUSA-N	-1	0	260.205	1.534	40	5		CDBBRM
CCOC(=O)c1cn([C@H](C)CC(=O)[O-])nc1[N+](=O)[O-]	ZINC000408716060	360038970	/nfs/dbraw/zinc/03/89/70/360038970.db2.gz	IKQBHMUQOQTYJQ-ZCFIWIBFSA-N	-1	0	271.229	1.004	40	5		CDBBRM
CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000005021972	170057039	/nfs/dbraw/zinc/05/70/39/170057039.db2.gz	CBCIBNBNVKLWSC-SNVBAGLBSA-N	-1	0	266.253	1.434	40	5		CDBBRM
O=C([O-])[C@H]1CS[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)N1	ZINC000006219606	304202324	/nfs/dbraw/zinc/20/23/24/304202324.db2.gz	DVGHWKMKBVJDGU-LDWIPMOCSA-N	-1	0	298.276	1.112	40	5		CDBBRM
C[C@@H](Nc1ccc([N+](=O)[O-])c2nonc21)C(=O)[O-]	ZINC000006442654	170201831	/nfs/dbraw/zinc/20/18/31/170201831.db2.gz	KWAIYUDRTUOOPG-SCSAIBSYSA-N	-1	0	252.186	1.016	40	5		CDBBRM
COc1cc([N+](=O)[O-])ccc1N1CCC(C(=O)[O-])CC1	ZINC000216931728	358098400	/nfs/dbraw/zinc/09/84/00/358098400.db2.gz	YWZDYGNMFMYCPE-UHFFFAOYSA-N	-1	0	280.280	1.904	40	5		CDBBRM
Cn1c(SCC(=O)[O-])nnc1-c1ccccc1[N+](=O)[O-]	ZINC000005521317	170107567	/nfs/dbraw/zinc/10/75/67/170107567.db2.gz	YVQYRLNVZGMYQN-UHFFFAOYSA-N	-1	0	294.292	1.567	40	5		CDBBRM
CC(C)Oc1nn([C@H](C)CC(=O)[O-])cc1[N+](=O)[O-]	ZINC000408715280	279732929	/nfs/dbraw/zinc/73/29/29/279732929.db2.gz	AMUBDZIPXSBPKD-SSDOTTSWSA-N	-1	0	257.246	1.614	40	5		CDBBRM
CCS(=O)(=O)c1cc(NC(C)=O)c([O-])c([N+](=O)[O-])c1	ZINC000255189841	374265460	/nfs/dbraw/zinc/26/54/60/374265460.db2.gz	SLYXYGMLMDGSMH-UHFFFAOYSA-N	-1	0	288.281	1.052	40	5		CDBBRM
Cc1c([N+](=O)[O-])cc(NC(=O)/C=C/C(=O)[O-])cc1[N+](=O)[O-]	ZINC000001690498	370648918	/nfs/dbraw/zinc/64/89/18/370648918.db2.gz	NVHUSKIIOCPXRK-NSCUHMNNSA-N	-1	0	295.207	1.391	40	5		CDBBRM
O=C([O-])[C@@H]1CC(=O)O[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000001747146	304098373	/nfs/dbraw/zinc/09/83/73/304098373.db2.gz	QPJTYBKOUUEXKK-PSASIEDQSA-N	-1	0	251.194	1.284	40	5		CDBBRM
CCCN1C(=O)N/C(=C/c2cc([N+](=O)[O-])ccc2[O-])C1=O	ZINC000409255626	363991665	/nfs/dbraw/zinc/99/16/65/363991665.db2.gz	ZFYAHRSWEWHMBS-JXMROGBWSA-N	-1	0	291.263	1.603	40	5		CDBBRM
Cc1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1[N+](=O)[O-]	ZINC000007881369	370075622	/nfs/dbraw/zinc/07/56/22/370075622.db2.gz	QZPWLVYQQZPBKT-MRVPVSSYSA-N	-1	0	264.237	1.341	40	5		CDBBRM
O=C([O-])[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-]	ZINC000022177312	304187034	/nfs/dbraw/zinc/18/70/34/304187034.db2.gz	RYEXOGQBKUDZDQ-SNVBAGLBSA-N	-1	0	264.237	1.284	40	5		CDBBRM
Cc1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1[N+](=O)[O-]	ZINC000007881370	301630921	/nfs/dbraw/zinc/63/09/21/301630921.db2.gz	QZPWLVYQQZPBKT-QMMMGPOBSA-N	-1	0	264.237	1.341	40	5		CDBBRM
COc1cc(OC)cc([C@@H](CC(=O)[O-])C[N+](=O)[O-])c1	ZINC000217536039	375666652	/nfs/dbraw/zinc/66/66/52/375666652.db2.gz	MRUKXHATYIXJIT-VIFPVBQESA-N	-1	0	269.253	1.539	40	5		CDBBRM
Cc1c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cnn1C	ZINC000002806219	393206512	/nfs/dbraw/zinc/20/65/12/393206512.db2.gz	SVGQHODQRUCLCL-UHFFFAOYSA-N	-1	0	296.308	1.438	40	5		CDBBRM
O=C([O-])CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	ZINC000019484537	170811342	/nfs/dbraw/zinc/81/13/42/170811342.db2.gz	NIWBRBFOEHZEGU-ZZXKWVIFSA-N	-1	0	264.237	1.199	40	5		CDBBRM
Cc1[nH]c2nc(-c3ccncc3)nn2c(=O)c1[N+](=O)[O-]	ZINC000005721405	341998259	/nfs/dbraw/zinc/99/82/59/341998259.db2.gz	KUASPOKRGPFYQU-UHFFFAOYSA-N	-1	0	272.224	1.109	40	5		CDBBRM
CS(=O)(=O)c1c[nH]nc1-c1ccc([N+](=O)[O-])cc1	ZINC000095097876	366528659	/nfs/dbraw/zinc/52/86/59/366528659.db2.gz	SRRCRLRFNOCSDT-UHFFFAOYSA-N	-1	0	267.266	1.388	40	5		CDBBRM
CCc1cc(C(=O)[O-])c(OC(C)=O)c([N+](=O)[O-])c1	ZINC000057339600	361433812	/nfs/dbraw/zinc/43/38/12/361433812.db2.gz	ZTHGXWNLNIBZPX-UHFFFAOYSA-N	-1	0	253.210	1.781	40	5		CDBBRM
COc1ccc([C@@H](CC(=O)[O-])C[N+](=O)[O-])cc1OC	ZINC000057556810	375529365	/nfs/dbraw/zinc/52/93/65/375529365.db2.gz	BCFJACPTXUWXJU-VIFPVBQESA-N	-1	0	269.253	1.539	40	5		CDBBRM
CC(=C([O-])c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O	ZINC000096517984	390534287	/nfs/dbraw/zinc/53/42/87/390534287.db2.gz	LZJMVUJMWTUZPV-SSDOTTSWSA-N	-1	0	257.267	1.211	40	5		CDBBRM
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CC(C)NC(=O)COc1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000013034358	374636151	/nfs/dbraw/zinc/63/61/51/374636151.db2.gz	VTNUYBOUAVPMEZ-UHFFFAOYSA-N	-1	0	282.252	1.196	40	5		CDBBRM
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COc1cc(N2CCOCC2)c([N+](=O)[O-])cc1C(=O)[O-]	ZINC000045957525	294994709	/nfs/dbraw/zinc/99/47/09/294994709.db2.gz	JQKBSNYFVYHTME-UHFFFAOYSA-N	-1	0	282.252	1.138	40	5		CDBBRM
COc1ccc(C(=O)[O-])c2c(=O)c3ccc[nH]c-3nc12	ZINC000005503160	295098636	/nfs/dbraw/zinc/09/86/36/295098636.db2.gz	IPSZGNMMICLXDC-UHFFFAOYSA-N	-1	0	270.244	1.783	40	5		CDBBRM
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Cc1ccc2[nH]c3nc4n[n-]c(=S)n4nc3c2c1	ZINC000005602580	281037794	/nfs/dbraw/zinc/03/77/94/281037794.db2.gz	PRUOUYBWISMUNV-UHFFFAOYSA-N	-1	0	256.294	1.751	40	5		CDBBRM
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CCC(=C([O-])c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000096518037	393188369	/nfs/dbraw/zinc/18/83/69/393188369.db2.gz	PBGSZQZRRINURI-JTQLQIEISA-N	-1	0	271.294	1.601	40	5		CDBBRM
C=CN1CCC(=C([O-])c2ccccc2[N+](=O)[O-])C1=O	ZINC001772715326	1159456880	/nfs/dbraw/zinc/45/68/80/1159456880.db2.gz	WXBKQSRXPWOZDF-SNVBAGLBSA-N	-1	0	260.249	1.770	40	5		CDBBRM
CC(=O)Oc1c(C(=O)[O-])cc(C)c(C)c1[N+](=O)[O-]	ZINC000057340109	375416943	/nfs/dbraw/zinc/41/69/43/375416943.db2.gz	OCAQIVRVWAMYFB-UHFFFAOYSA-N	-1	0	253.210	1.835	40	5		CDBBRM
O=C1NC(=O)C(=Cc2cc([N+](=O)[O-])ccc2[O-])S1	ZINC000003109953	375541112	/nfs/dbraw/zinc/54/11/12/375541112.db2.gz	FORJIIJGVQHUQA-XBXARRHUSA-N	-1	0	266.234	1.624	40	5		CDBBRM
Cc1ccc(Cn2cc(C(=O)[O-])c([N+](=O)[O-])n2)cc1	ZINC000408716323	360039539	/nfs/dbraw/zinc/03/95/39/360039539.db2.gz	LNLZKFLVYPJCNP-UHFFFAOYSA-N	-1	0	261.237	1.846	40	5		CDBBRM
COc1c(Cl)cc(S(=O)(=O)[O-])cc1[N+](=O)[O-]	ZINC000255187650	189995897	/nfs/dbraw/zinc/99/58/97/189995897.db2.gz	FWJDQLOLYDWKPR-UHFFFAOYSA-N	-1	0	267.646	1.504	40	5		CDBBRM
COc1ccc([C@H](CC(=O)[O-])C[N+](=O)[O-])cc1OC	ZINC000057556811	375528660	/nfs/dbraw/zinc/52/86/60/375528660.db2.gz	BCFJACPTXUWXJU-SECBINFHSA-N	-1	0	269.253	1.539	40	5		CDBBRM
O=C([O-])c1c[nH]nc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000071980906	304274615	/nfs/dbraw/zinc/27/46/15/304274615.db2.gz	ZLKZDXZOHPLBHF-UHFFFAOYSA-N	-1	0	278.180	1.591	40	5		CDBBRM
CCCNc1nn(-c2cccc([N+](=O)[O-])c2)nc1C(=O)[O-]	ZINC000256048327	350908667	/nfs/dbraw/zinc/90/86/67/350908667.db2.gz	SFPPICISBCHKML-UHFFFAOYSA-N	-1	0	291.267	1.696	40	5		CDBBRM
Cc1ccc([N+](=O)[O-])cc1N1C[C@H](C(=O)[O-])CC1=O	ZINC000045953518	301863037	/nfs/dbraw/zinc/86/30/37/301863037.db2.gz	YCFAKWUHDWDUND-MRVPVSSYSA-N	-1	0	264.237	1.341	40	5		CDBBRM
CN(Cc1nccn1C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000079355178	374795848	/nfs/dbraw/zinc/79/58/48/374795848.db2.gz	GTTURJXEKBSKFZ-UHFFFAOYSA-N	-1	0	290.279	1.306	40	5		CDBBRM
COCc1c(C(=O)[O-])nnn1-c1ccc([N+](=O)[O-])cc1	ZINC000003844463	169915056	/nfs/dbraw/zinc/91/50/56/169915056.db2.gz	OXUWMMKMHDLEAO-UHFFFAOYSA-N	-1	0	278.224	1.020	40	5		CDBBRM
CCCCNS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000037326168	173127193	/nfs/dbraw/zinc/12/71/93/173127193.db2.gz	JWSIARCAIFPJNT-UHFFFAOYSA-N	-1	0	274.298	1.379	40	5		CDBBRM
Cc1cccc(Cn2cc(C(=O)[O-])c([N+](=O)[O-])n2)c1	ZINC000408716758	230408810	/nfs/dbraw/zinc/40/88/10/230408810.db2.gz	QPFKYTJKZWQOEB-UHFFFAOYSA-N	-1	0	261.237	1.846	40	5		CDBBRM
N=c1[n-]nc(-c2cc([N+](=O)[O-])nn2C(F)F)s1	ZINC000408717447	360038219	/nfs/dbraw/zinc/03/82/19/360038219.db2.gz	ALYRRMCDAFSNPA-UHFFFAOYSA-N	-1	0	262.201	1.117	40	5		CDBBRM
Nc1nc(NCCCc2ccccc2)c([N+](=O)[O-])c(=O)[n-]1	ZINC000017040224	367011551	/nfs/dbraw/zinc/01/15/51/367011551.db2.gz	QHSZTNIACJEGSS-UHFFFAOYSA-N	-1	0	289.295	1.305	40	5		CDBBRM
COc1ccc(Nc2[n-]c(=O)nc(C)c2[N+](=O)[O-])cc1	ZINC000005394137	170094263	/nfs/dbraw/zinc/09/42/63/170094263.db2.gz	BVIVBMJZGDJLGF-UHFFFAOYSA-N	-1	0	276.252	1.739	40	5		CDBBRM
CCC(=C([O-])c1cccc([N+](=O)[O-])c1)S(=O)(=O)CC	ZINC000096518076	393187915	/nfs/dbraw/zinc/18/79/15/393187915.db2.gz	SXGFVXLUORWCOJ-LLVKDONJSA-N	-1	0	285.321	1.991	40	5		CDBBRM
CCOC(=O)c1nnc(COc2ccccc2[N+](=O)[O-])[n-]1	ZINC000085385929	179046338	/nfs/dbraw/zinc/04/63/38/179046338.db2.gz	UGBVIBXTTCFHEY-UHFFFAOYSA-N	-1	0	292.251	1.469	40	5		CDBBRM
CC[C@@H](C(=O)[O-])n1cc([N+](=O)[O-])c(OCC(F)(F)F)n1	ZINC000408716295	360039741	/nfs/dbraw/zinc/03/97/41/360039741.db2.gz	LCCUOGGZTIGDCD-YFKPBYRVSA-N	-1	0	297.189	1.768	40	5		CDBBRM
O=C(CSc1nc[nH]n1)Nc1ccc([N+](=O)[O-])cc1[O-]	ZINC000409412315	360221973	/nfs/dbraw/zinc/22/19/73/360221973.db2.gz	ILTNIUASEQRGNS-UHFFFAOYSA-N	-1	0	295.280	1.149	40	5		CDBBRM
Cc1c([N+](=O)[O-])cc(NC(=O)/C=C\C(=O)[O-])cc1[N+](=O)[O-]	ZINC000031638272	375810598	/nfs/dbraw/zinc/81/05/98/375810598.db2.gz	NVHUSKIIOCPXRK-IHWYPQMZSA-N	-1	0	295.207	1.391	40	5		CDBBRM
O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cccnc1	ZINC000036047019	360722538	/nfs/dbraw/zinc/72/25/38/360722538.db2.gz	RGAZWCGMJBFXHZ-UHFFFAOYSA-N	-1	0	259.221	1.948	40	5		CDBBRM
O=C([O-])C1=Nc2ncnn2[C@H](c2cccc([N+](=O)[O-])c2)C1	ZINC000100663697	185722248	/nfs/dbraw/zinc/72/22/48/185722248.db2.gz	FHNDCFONWDOJCE-JTQLQIEISA-N	-1	0	287.235	1.170	40	5		CDBBRM
O=[N+]([O-])c1cc(Br)c([O-])c(-n2cnnc2)c1	ZINC000216752301	356432663	/nfs/dbraw/zinc/43/26/63/356432663.db2.gz	WXTLXYZXISAJGG-UHFFFAOYSA-N	-1	0	285.057	1.644	40	5		CDBBRM
C[C@H](CC(=O)[O-])n1cc([N+](=O)[O-])c(OCC(F)(F)F)n1	ZINC000408715668	360037719	/nfs/dbraw/zinc/03/77/19/360037719.db2.gz	CHHYLABZUKQBLX-RXMQYKEDSA-N	-1	0	297.189	1.768	40	5		CDBBRM
O=C([O-])c1ccc(NCCN2CCOCC2)c([N+](=O)[O-])c1	ZINC000013079418	374642239	/nfs/dbraw/zinc/64/22/39/374642239.db2.gz	XXIQARNLBQTHCR-UHFFFAOYSA-N	-1	0	295.295	1.037	40	5		CDBBRM
COc1cc([C@@H](CC(=O)[O-])C[N+](=O)[O-])cc(OC)c1OC	ZINC000057628675	522912902	/nfs/dbraw/zinc/91/29/02/522912902.db2.gz	IXSGPLORKAWRRK-VIFPVBQESA-N	-1	0	299.279	1.547	40	5		CDBBRM
C[C@H](CC(=O)[O-])n1cc(-n2cc([N+](=O)[O-])cn2)cn1	ZINC000685936734	539098978	/nfs/dbraw/zinc/09/89/78/539098978.db2.gz	UOWOXAACLKSJCH-SSDOTTSWSA-N	-1	0	265.229	1.013	40	5		CDBBRM
C[C@@H](Cn1cc([N+](=O)[O-])c(OCC(F)(F)F)n1)C(=O)[O-]	ZINC000408715942	360038339	/nfs/dbraw/zinc/03/83/39/360038339.db2.gz	GZWQENOQFFUOAI-YFKPBYRVSA-N	-1	0	297.189	1.453	40	5		CDBBRM
O=C([O-])CCn1cc([N+](=O)[O-])c(OCCC(F)(F)F)n1	ZINC000408716258	360039733	/nfs/dbraw/zinc/03/97/33/360039733.db2.gz	KQCLVTZRMDKKRE-UHFFFAOYSA-N	-1	0	297.189	1.597	40	5		CDBBRM
O=C([O-])c1nn(-c2ccccc2F)nc1[N+](=O)[O-]	ZINC000089263412	304284800	/nfs/dbraw/zinc/28/48/00/304284800.db2.gz	SLBSQARHUAXCAE-UHFFFAOYSA-N	-1	0	252.161	1.013	40	5		CDBBRM
C[C@H](O)[C@H](NSc1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000033940435	171827732	/nfs/dbraw/zinc/82/77/32/171827732.db2.gz	QJMPRIHAPGGFMA-RCOVLWMOSA-N	-1	0	272.282	1.026	40	5		CDBBRM
CC[C@H](C)NC(=O)COc1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000013034495	374635961	/nfs/dbraw/zinc/63/59/61/374635961.db2.gz	ZNTHBEYIDDMNBN-QMMMGPOBSA-N	-1	0	296.279	1.587	40	5		CDBBRM
O=C([O-])CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000020199989	374858839	/nfs/dbraw/zinc/85/88/39/374858839.db2.gz	YUNHYBYBNDBMIL-UHFFFAOYSA-N	-1	0	272.644	1.453	40	5		CDBBRM
Cc1csc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1	ZINC000003159199	375563287	/nfs/dbraw/zinc/56/32/87/375563287.db2.gz	AFYZOKKPCCRBSL-UHFFFAOYSA-N	-1	0	299.333	1.582	40	5		CDBBRM
COc1cc(C(=O)[O-])c(OC(C)=O)c([N+](=O)[O-])c1	ZINC000057340112	175593061	/nfs/dbraw/zinc/59/30/61/175593061.db2.gz	XXPSFLXXNCHTDP-UHFFFAOYSA-N	-1	0	255.182	1.227	40	5		CDBBRM
CCCNc1nn(-c2ccccc2[N+](=O)[O-])nc1C(=O)[O-]	ZINC000256046777	350908237	/nfs/dbraw/zinc/90/82/37/350908237.db2.gz	IAGYRBJTLIDARJ-UHFFFAOYSA-N	-1	0	291.267	1.696	40	5		CDBBRM
Cc1cn2c(C)nc([N+](=O)[O-])c2n1CCCC(=O)[O-]	ZINC000000049513	358012773	/nfs/dbraw/zinc/01/27/73/358012773.db2.gz	KXSICMLOTKDDJV-UHFFFAOYSA-N	-1	0	266.257	1.526	40	5		CDBBRM
O=C1[N-]C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)N1	ZINC000033401009	359723425	/nfs/dbraw/zinc/72/34/25/359723425.db2.gz	BNTIEQLGTBEYMO-XVNBXDOJSA-N	-1	0	267.628	1.429	40	5		CDBBRM
CC(C)Oc1nn([C@@H](C)CC(=O)[O-])cc1[N+](=O)[O-]	ZINC000408715281	390870914	/nfs/dbraw/zinc/87/09/14/390870914.db2.gz	AMUBDZIPXSBPKD-ZETCQYMHSA-N	-1	0	257.246	1.614	40	5		CDBBRM
Cc1cn(Cc2ccccc2)c(=O)c([N+](=O)[O-])c1[O-]	ZINC000225738515	375193770	/nfs/dbraw/zinc/19/37/70/375193770.db2.gz	OGZDJHHISXQGNN-UHFFFAOYSA-N	-1	0	260.249	1.819	40	5		CDBBRM
O=C([O-])CCCNC(=O)OCc1ccc([N+](=O)[O-])cc1	ZINC000003057418	375522716	/nfs/dbraw/zinc/52/27/16/375522716.db2.gz	FTSYROLPLVUALL-UHFFFAOYSA-N	-1	0	282.252	1.686	40	5		CDBBRM
Cc1c([N+](=O)[O-])cccc1N1C[C@H](C(=O)[O-])CC1=O	ZINC000045953593	301013186	/nfs/dbraw/zinc/01/31/86/301013186.db2.gz	CKQOSVDGVUENSD-MRVPVSSYSA-N	-1	0	264.237	1.341	40	5		CDBBRM
C[C@@H](CC(=O)[O-])n1cc([N+](=O)[O-])c(OCC(F)F)n1	ZINC000408716303	360039528	/nfs/dbraw/zinc/03/95/28/360039528.db2.gz	LEBJPQZSCOJAJS-YFKPBYRVSA-N	-1	0	279.199	1.471	40	5		CDBBRM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccccc2)[nH]1	ZINC000017039776	367012644	/nfs/dbraw/zinc/01/26/44/367012644.db2.gz	ITFUSTYTUCGMEV-SREVYHEPSA-N	-1	0	259.221	1.554	40	5		CDBBRM
COc1c([O-])c(Br)cc(C=O)c1[N+](=O)[O-]	ZINC000002170836	392225939	/nfs/dbraw/zinc/22/59/39/392225939.db2.gz	XAZNBZJAJJLBJC-UHFFFAOYSA-N	-1	0	276.042	1.884	40	5		CDBBRM
Cn1c(SCC(=O)[O-])nnc1-c1cccc([N+](=O)[O-])c1	ZINC000004966547	170046328	/nfs/dbraw/zinc/04/63/28/170046328.db2.gz	HKJRRNIGYJRAJQ-UHFFFAOYSA-N	-1	0	294.292	1.567	40	5		CDBBRM
CCOC(=O)C=C([O-])c1ccc(OC)c([N+](=O)[O-])c1	ZINC000001508826	361449048	/nfs/dbraw/zinc/44/90/48/361449048.db2.gz	RTEYPZFDMUKVOT-UHFFFAOYSA-N	-1	0	267.237	1.739	40	5		CDBBRM
CCN1C(=O)N/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)C1=O	ZINC000409251501	363995864	/nfs/dbraw/zinc/99/58/64/363995864.db2.gz	PEVRLGORDVRRLT-VMPITWQZSA-N	-1	0	277.236	1.213	40	5		CDBBRM
C[C@@H](C(=O)[O-])n1nc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000035655539	373865283	/nfs/dbraw/zinc/86/52/83/373865283.db2.gz	ZXUZRYLZKLRRBY-VKHMYHEASA-N	-1	0	253.136	1.456	40	5		CDBBRM
O=C([O-])c1cccn(Cc2ccc([N+](=O)[O-])cc2)c1=O	ZINC000041670163	379442549	/nfs/dbraw/zinc/44/25/49/379442549.db2.gz	ZNWCLRXDCXYREH-UHFFFAOYSA-N	-1	0	274.232	1.503	40	5		CDBBRM
CC(C)(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-]	ZINC000004824636	170024600	/nfs/dbraw/zinc/02/46/00/170024600.db2.gz	TXMJURUNBSYXRI-UHFFFAOYSA-N	-1	0	269.213	1.778	40	5		CDBBRM
CCS(=O)(=O)C=C([O-])c1cccc([N+](=O)[O-])c1	ZINC000081907214	374561542	/nfs/dbraw/zinc/56/15/42/374561542.db2.gz	PASKPYUPLSYDCU-UHFFFAOYSA-N	-1	0	257.267	1.212	40	5		CDBBRM
O=c1[nH]c(C=Cc2cccc(F)c2)nc([O-])c1[N+](=O)[O-]	ZINC000009234793	170368044	/nfs/dbraw/zinc/36/80/44/170368044.db2.gz	XRZBOMUSLBFFEE-SNAWJCMRSA-N	-1	0	277.211	1.693	40	5		CDBBRM
C[C@@H](C(=O)[O-])n1cc([N+](=O)[O-])c(OCC(F)(F)F)n1	ZINC000408716937	230408865	/nfs/dbraw/zinc/40/88/65/230408865.db2.gz	SXAKJXZAWMGANG-BYPYZUCNSA-N	-1	0	283.162	1.378	40	5		CDBBRM
Cc1c([N+](=O)[O-])c(C(F)F)nn1C[C@@H](C)C(=O)[O-]	ZINC000408715853	360035238	/nfs/dbraw/zinc/03/52/38/360035238.db2.gz	FTRNTYIVKAAJDM-SCSAIBSYSA-N	-1	0	263.200	1.758	40	5		CDBBRM
CCC(=C([O-])c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000096518038	393188947	/nfs/dbraw/zinc/18/89/47/393188947.db2.gz	PBGSZQZRRINURI-SNVBAGLBSA-N	-1	0	271.294	1.601	40	5		CDBBRM
Cc1ccc([N+](=O)[O-])cc1N1N=C(C(=O)[O-])CC1=O	ZINC000217699940	377309651	/nfs/dbraw/zinc/30/96/51/377309651.db2.gz	BWIKOVUTQRYPHK-UHFFFAOYSA-N	-1	0	263.209	1.493	40	5		CDBBRM
O=C([O-])CCn1cnc(-c2ccc([N+](=O)[O-])cc2)c1	ZINC000000346194	169612702	/nfs/dbraw/zinc/61/27/02/169612702.db2.gz	OLKMAXDLEOHMKV-UHFFFAOYSA-N	-1	0	261.237	1.933	40	5		CDBBRM
Cc1nc2n(n1)[C@H](c1ccc([N+](=O)[O-])o1)CC(C(=O)[O-])=N2	ZINC000102334126	302684495	/nfs/dbraw/zinc/68/44/95/302684495.db2.gz	KISNDPMPHMKLHM-ZETCQYMHSA-N	-1	0	291.223	1.071	40	5		CDBBRM
COc1cc(N2CCCC2)c([N+](=O)[O-])cc1C(=O)[O-]	ZINC000045957605	397707493	/nfs/dbraw/zinc/70/74/93/397707493.db2.gz	ZUFDUGPJVBFXAS-UHFFFAOYSA-N	-1	0	266.253	1.902	40	5		CDBBRM
N=C1NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2[O-])S1	ZINC000005005541	303232366	/nfs/dbraw/zinc/23/23/66/303232366.db2.gz	BGQSPOWRXISVCB-QPJJXVBHSA-N	-1	0	265.250	1.439	40	5		CDBBRM
O=[N+]([O-])c1ccc2c3nonc3cc(S(=O)(=O)[O-])c2c1	ZINC000001578494	304804815	/nfs/dbraw/zinc/80/48/15/304804815.db2.gz	IINSJYCETWCITA-UHFFFAOYSA-N	-1	0	295.232	1.531	40	5	in-vitro	CDBBRM
Cn1cc(C(=O)[O-])c(C(=O)Nc2cccc([N+](=O)[O-])c2)n1	ZINC000036615477	362204838	/nfs/dbraw/zinc/20/48/38/362204838.db2.gz	DWICEMXKUAWTBD-UHFFFAOYSA-N	-1	0	290.235	1.279	40	5		CDBBRM
C[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000019423442	374735222	/nfs/dbraw/zinc/73/52/22/374735222.db2.gz	KJOBWQBDKFKRKL-RXLGXGPVSA-N	-1	0	264.237	1.197	40	5		CDBBRM
N=c1[n-]nc(-c2cc([N+](=O)[O-])n(C(F)F)n2)s1	ZINC000408717742	390869848	/nfs/dbraw/zinc/86/98/48/390869848.db2.gz	REXMXAMDQBVLQZ-UHFFFAOYSA-N	-1	0	262.201	1.117	40	5		CDBBRM
COc1c([O-])cc(Br)c(C=O)c1[N+](=O)[O-]	ZINC000001621358	391093665	/nfs/dbraw/zinc/09/36/65/391093665.db2.gz	VWVFLPUKZSZXSM-UHFFFAOYSA-N	-1	0	276.042	1.884	40	5		CDBBRM
Cc1[n-]c(=NN)nc(N(C)c2ccccc2)c1[N+](=O)[O-]	ZINC000004714173	170004092	/nfs/dbraw/zinc/00/40/92/170004092.db2.gz	ZYXHQLRYMNWLRH-UHFFFAOYSA-N	-1	0	274.284	1.747	40	5		CDBBRM
COc1cc([N+](=O)[O-])cc(C(=O)[O-])c1OC(F)F	ZINC000078406267	177338447	/nfs/dbraw/zinc/33/84/47/177338447.db2.gz	ZUDIGDTWXLKFCK-UHFFFAOYSA-N	-1	0	263.152	1.903	40	5		CDBBRM
O=Cc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1	ZINC000004402210	356334738	/nfs/dbraw/zinc/33/47/38/356334738.db2.gz	GLGWORSQFJEREQ-AATRIKPKSA-N	-1	0	287.231	1.367	40	5		CDBBRM
O=C([O-])c1ccc(=O)n(Cc2ccc([N+](=O)[O-])cc2)c1	ZINC000021519970	393171477	/nfs/dbraw/zinc/17/14/77/393171477.db2.gz	WHFNNNWKLGEWGD-UHFFFAOYSA-N	-1	0	274.232	1.503	40	5		CDBBRM
Cc1nc2n(n1)[C@@H](c1ccc([N+](=O)[O-])o1)CC(C(=O)[O-])=N2	ZINC000102334129	358874336	/nfs/dbraw/zinc/87/43/36/358874336.db2.gz	KISNDPMPHMKLHM-SSDOTTSWSA-N	-1	0	291.223	1.071	40	5		CDBBRM
Cn1cnc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccccc1	ZINC000001670442	370531139	/nfs/dbraw/zinc/53/11/39/370531139.db2.gz	DKKVCVZREVPWAW-UHFFFAOYSA-N	-1	0	282.281	1.129	40	5		CDBBRM
O=C([O-])c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)c1	ZINC000021008392	393154086	/nfs/dbraw/zinc/15/40/86/393154086.db2.gz	SZVPAVDMNNEMJR-UHFFFAOYSA-N	-1	0	274.232	1.503	40	5		CDBBRM
CCS(=O)(=O)C(C)=C([O-])c1ccc([N+](=O)[O-])cc1	ZINC000096518006	393188442	/nfs/dbraw/zinc/18/84/42/393188442.db2.gz	SGROGUYDQGTERP-MRVPVSSYSA-N	-1	0	271.294	1.601	40	5		CDBBRM
CCC(=C([O-])c1ccc([N+](=O)[O-])cc1)S(=O)(=O)CC	ZINC000096518069	393188673	/nfs/dbraw/zinc/18/86/73/393188673.db2.gz	XMOZRQGXDCNKMP-NSHDSACASA-N	-1	0	285.321	1.991	40	5		CDBBRM
O=C([O-])c1cccc([N+](=O)[O-])c1Nc1cnccn1	ZINC000022113100	171353081	/nfs/dbraw/zinc/35/30/81/171353081.db2.gz	WTIOLEFTRZJVRN-UHFFFAOYSA-N	-1	0	260.209	1.827	40	5		CDBBRM
O=[N+]([O-])c1ccc2cccc(S(=O)(=O)[O-])c2c1	ZINC000034513869	356816679	/nfs/dbraw/zinc/81/66/79/356816679.db2.gz	NXOIHHATVQOBMU-UHFFFAOYSA-N	-1	0	253.235	1.995	40	5		CDBBRM
C[C@]1(C(=O)[O-])CC(c2ccc([N+](=O)[O-])cc2)=NO1	ZINC000071980986	358997698	/nfs/dbraw/zinc/99/76/98/358997698.db2.gz	BJFFRJNKNQZQTE-LLVKDONJSA-N	-1	0	250.210	1.563	40	5		CDBBRM
O=C([O-])Cc1cc(Br)cc([N+](=O)[O-])c1	ZINC000095763912	304088264	/nfs/dbraw/zinc/08/82/64/304088264.db2.gz	BNQRWEHQGXWRGA-UHFFFAOYSA-N	-1	0	260.043	1.984	40	5		CDBBRM
C[C@H](Cn1cc([N+](=O)[O-])c(OCC(F)(F)F)n1)C(=O)[O-]	ZINC000408715941	360039679	/nfs/dbraw/zinc/03/96/79/360039679.db2.gz	GZWQENOQFFUOAI-RXMQYKEDSA-N	-1	0	297.189	1.453	40	5		CDBBRM
O=C([O-])[C@@H]1CS[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)N1	ZINC000006219603	304137874	/nfs/dbraw/zinc/13/78/74/304137874.db2.gz	DVGHWKMKBVJDGU-WKEGUHRASA-N	-1	0	298.276	1.112	40	5		CDBBRM
O=[N+]([O-])c1cccc2cc(S(=O)(=O)[O-])ccc21	ZINC000001669717	370489131	/nfs/dbraw/zinc/48/91/31/370489131.db2.gz	ZAPHEIOXULZTDR-UHFFFAOYSA-N	-1	0	253.235	1.995	40	5		CDBBRM
O=C([O-])CCC(=O)Nc1ccc(F)cc1[N+](=O)[O-]	ZINC000008732320	170351617	/nfs/dbraw/zinc/35/16/17/170351617.db2.gz	VIGBAMFCRNTCDM-UHFFFAOYSA-N	-1	0	256.189	1.537	40	5		CDBBRM
Cc1cc([N+](=O)[O-])nn1[C@@H](CC(=O)[O-])C(F)(F)F	ZINC000685936511	539098943	/nfs/dbraw/zinc/09/89/43/539098943.db2.gz	CFZZJYAZNVUJPJ-YFKPBYRVSA-N	-1	0	267.163	1.678	40	5		CDBBRM
O=C([O-])CSc1nnc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000005007258	170054152	/nfs/dbraw/zinc/05/41/52/170054152.db2.gz	VCQMCHGKMHNJJB-UHFFFAOYSA-N	-1	0	281.249	1.822	40	5		CDBBRM
CC1=C(C(=O)[O-])[C@H](c2ccccc2[N+](=O)[O-])CC(=O)N1	ZINC000038856772	281656812	/nfs/dbraw/zinc/65/68/12/281656812.db2.gz	PLFQAOMHIGIJPC-VIFPVBQESA-N	-1	0	276.248	1.557	40	5		CDBBRM
CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c([O-])cc2O)C1=O	ZINC000408812797	289856046	/nfs/dbraw/zinc/85/60/46/289856046.db2.gz	BWVCHXTUUKKDTA-OQFOIZHKSA-N	-1	0	296.260	1.672	40	5		CDBBRM
O=C([O-])CCc1nc2ccc([N+](=O)[O-])cc2oc1=O	ZINC000100447384	230391982	/nfs/dbraw/zinc/39/19/82/230391982.db2.gz	RBIHSFAGPPJNCG-FPYGCLRLSA-N	-1	0	264.193	1.284	40	5		CDBBRM
O=C([O-])C1=Nc2ncnn2[C@@H](c2ccccc2[N+](=O)[O-])C1	ZINC000102243564	304036075	/nfs/dbraw/zinc/03/60/75/304036075.db2.gz	JSUTYRCFTLEARS-SNVBAGLBSA-N	-1	0	287.235	1.170	40	5		CDBBRM
Cn1c2ccccc2c2oc(=O)c(C(=O)[O-])cc2c1=O	ZINC000000045664	357750318	/nfs/dbraw/zinc/75/03/18/357750318.db2.gz	PWRTWTUHELGKDM-UHFFFAOYSA-N	-1	0	271.228	1.343	40	5		CDBBRM
O=C([O-])[C@H]1CC(=O)O[C@@H]1c1ccccc1[N+](=O)[O-]	ZINC000085394867	304174666	/nfs/dbraw/zinc/17/46/66/304174666.db2.gz	PNYFBUUZSWWNOO-OIBJUYFYSA-N	-1	0	251.194	1.284	40	5		CDBBRM
CC(C)(CC(=O)[O-])NC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000003850922	169916862	/nfs/dbraw/zinc/91/68/62/169916862.db2.gz	SINVCESEDGJZKV-UHFFFAOYSA-N	-1	0	266.253	1.578	40	5		CDBBRM
Cc1cnn(CCC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000036611185	362202322	/nfs/dbraw/zinc/20/23/22/362202322.db2.gz	BRWLAVYJYOSYTF-UHFFFAOYSA-N	-1	0	290.279	1.834	40	5		CDBBRM
CC(C)Oc1nn(CCCC(=O)[O-])cc1[N+](=O)[O-]	ZINC000408716314	360039031	/nfs/dbraw/zinc/03/90/31/360039031.db2.gz	LIIGEEYTBZXMPJ-UHFFFAOYSA-N	-1	0	257.246	1.443	40	5		CDBBRM
O=C([O-])CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000020200020	374858138	/nfs/dbraw/zinc/85/81/38/374858138.db2.gz	NJGGZRBXZSKDMT-UHFFFAOYSA-N	-1	0	272.644	1.453	40	5		CDBBRM
O=C([O-])c1cc(OCc2cccnc2)cc([N+](=O)[O-])c1O	ZINC000216846094	390529524	/nfs/dbraw/zinc/52/95/24/390529524.db2.gz	YPNKXMFFTRNVFU-UHFFFAOYSA-N	-1	0	290.231	1.973	40	5		CDBBRM
O=C([O-])CCn1nc([N+](=O)[O-])cc1C(F)(F)F	ZINC000035655544	172331674	/nfs/dbraw/zinc/33/16/74/172331674.db2.gz	USXGUIVLOJUJCV-UHFFFAOYSA-N	-1	0	253.136	1.285	40	5		CDBBRM
Cc1nnc(Sc2ccc([N+](=O)[O-])cc2C(=O)[O-])n1N	ZINC000070462400	302821409	/nfs/dbraw/zinc/82/14/09/302821409.db2.gz	FHHTZVMOLTXWPI-UHFFFAOYSA-N	-1	0	295.280	1.058	40	5		CDBBRM
CCOC(=O)c1cn([C@H](CC)C(=O)[O-])nc1[N+](=O)[O-]	ZINC000408715600	528284654	/nfs/dbraw/zinc/28/46/54/528284654.db2.gz	BYMUGHDDPGFFRJ-SSDOTTSWSA-N	-1	0	271.229	1.004	40	5		CDBBRM
O=C([O-])c1ccc(CNC(=O)c2ccc([N+](=O)[O-])o2)cc1	ZINC000013091785	170531049	/nfs/dbraw/zinc/53/10/49/170531049.db2.gz	OPNLFLYRIBTGOC-UHFFFAOYSA-N	-1	0	290.231	1.816	40	5		CDBBRM
CC(C)CCC(CC[N+](C)(C)C)(C(=O)[O-])C(=O)[O-]	ZINC000001760361	517413647	/nfs/dbraw/zinc/41/36/47/517413647.db2.gz	KBBUBKRMSIRBIP-UHFFFAOYSA-O	-1	0	260.354	1.675	40	5		CDBBRM
COc1cc([N+](=O)[O-])cc(C=C2SC(=O)NC2=O)c1[O-]	ZINC000214302671	349647099	/nfs/dbraw/zinc/64/70/99/349647099.db2.gz	NPXGNSKYOPJSER-FPYGCLRLSA-N	-1	0	296.260	1.633	40	5		CDBBRM
CS(=O)(=O)c1c[nH]nc1-c1cccc([N+](=O)[O-])c1	ZINC000095097879	366529024	/nfs/dbraw/zinc/52/90/24/366529024.db2.gz	ITLKNHSADCUJGJ-UHFFFAOYSA-N	-1	0	267.266	1.388	40	5		CDBBRM
O=C([O-])Cc1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1	ZINC000002504550	304088559	/nfs/dbraw/zinc/08/85/59/304088559.db2.gz	CWBAUWVKPNAFKN-UHFFFAOYSA-N	-1	0	260.589	1.784	40	5		CDBBRM
O=C1C2=CCC([O-])=NC2=C([N+](=O)[O-])C=C1[N+](=O)[O-]	ZINC000016952051	366963319	/nfs/dbraw/zinc/96/33/19/366963319.db2.gz	OKFFTJMTNOFVCY-UHFFFAOYSA-N	-1	0	251.154	1.462	40	5		CDBBRM
O=C1[N-]C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2Cl)N1	ZINC000005670844	296356055	/nfs/dbraw/zinc/35/60/55/296356055.db2.gz	FZPQKUVQPLLUMY-YWEYNIOJSA-N	-1	0	267.628	1.429	40	5		CDBBRM
O=C([O-])c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCCO1	ZINC000019845277	391326465	/nfs/dbraw/zinc/32/64/65/391326465.db2.gz	LETNQUDZJOPTME-VIFPVBQESA-N	-1	0	266.253	1.884	40	5		CDBBRM
COc1cc([N+](=O)[O-])c(Br)c(C=O)c1[O-]	ZINC000002566094	295026645	/nfs/dbraw/zinc/02/66/45/295026645.db2.gz	GVGPCXQPEWSGGZ-UHFFFAOYSA-N	-1	0	276.042	1.884	40	5		CDBBRM
O=[N+]([O-])c1ccc2cc(O)cc(S(=O)(=O)[O-])c2c1	ZINC000003844816	304804798	/nfs/dbraw/zinc/80/47/98/304804798.db2.gz	ZLQRTXWMPHELNM-UHFFFAOYSA-N	-1	0	269.234	1.700	40	5		CDBBRM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc([N+](=O)[O-])o2)[nH]1	ZINC000034881424	348739599	/nfs/dbraw/zinc/73/95/99/348739599.db2.gz	PZTMVAGZPGJDRY-HNQUOIGGSA-N	-1	0	294.179	1.055	40	5		CDBBRM
O=C([O-])[C@H]1CC(=O)O[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000085394882	304174862	/nfs/dbraw/zinc/17/48/62/304174862.db2.gz	XKPHQFZUQWQCRO-WCBMZHEXSA-N	-1	0	251.194	1.284	40	5		CDBBRM
O=C([O-])c1nn(-c2cccc(Cl)c2)nc1[N+](=O)[O-]	ZINC000089263371	304284740	/nfs/dbraw/zinc/28/47/40/304284740.db2.gz	NZKKCQHXZAHYCY-UHFFFAOYSA-N	-1	0	268.616	1.527	40	5		CDBBRM
O=C([O-])[C@H]1CC(=O)O[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000001747143	169754121	/nfs/dbraw/zinc/75/41/21/169754121.db2.gz	QPJTYBKOUUEXKK-WCBMZHEXSA-N	-1	0	251.194	1.284	40	5		CDBBRM
COc1ccc([N+](=O)[O-])cc1N1C[C@@H](C(=O)[O-])CC1=O	ZINC000034956980	364292430	/nfs/dbraw/zinc/29/24/30/364292430.db2.gz	WIOKQEDSKFQPEE-ZETCQYMHSA-N	-1	0	280.236	1.041	40	5		CDBBRM
CCOC(=O)C=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000067799511	374430501	/nfs/dbraw/zinc/43/05/01/374430501.db2.gz	GJGNMOBQSGYJIL-UHFFFAOYSA-N	-1	0	282.208	1.639	40	5		CDBBRM
COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)[O-])CC1=O	ZINC000019944681	374829342	/nfs/dbraw/zinc/82/93/42/374829342.db2.gz	BEMVCPJZBJNGPJ-ZETCQYMHSA-N	-1	0	280.236	1.041	40	5		CDBBRM
CCC(=O)N[C@@H](Cc1cc([N+](=O)[O-])ccc1OC)C(=O)[O-]	ZINC000005307296	170084765	/nfs/dbraw/zinc/08/47/65/170084765.db2.gz	PTBRNTULLWPCEU-JTQLQIEISA-N	-1	0	296.279	1.125	40	5		CDBBRM
Nc1cc(N2CCC[C@H]2C(=O)[O-])c(Cl)cc1[N+](=O)[O-]	ZINC000059726324	303493943	/nfs/dbraw/zinc/49/39/43/303493943.db2.gz	VZPPKCYYIHBYIM-QMMMGPOBSA-N	-1	0	285.687	1.884	40	5		CDBBRM
O=C([O-])Cc1cc([N+](=O)[O-])ccc1Br	ZINC000139942147	527637810	/nfs/dbraw/zinc/63/78/10/527637810.db2.gz	SEQYLSDGDQXASY-UHFFFAOYSA-N	-1	0	260.043	1.984	40	5		CDBBRM
O=C([O-])c1conc1[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000504747127	375682632	/nfs/dbraw/zinc/68/26/32/375682632.db2.gz	NBUAPIAFWOUWIP-SNVBAGLBSA-N	-1	0	264.193	1.363	40	5		CDBBRM
O=C([O-])CNC(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000000276868	169595209	/nfs/dbraw/zinc/59/52/09/169595209.db2.gz	SUHXEOJZYTYACV-UHFFFAOYSA-N	-1	0	258.617	1.063	40	5		CDBBRM
Cc1c(Cl)cc(S(=O)(=O)[O-])cc1[N+](=O)[O-]	ZINC000006068996	300957879	/nfs/dbraw/zinc/95/78/79/300957879.db2.gz	PFQCWESEIXPRLI-UHFFFAOYSA-N	-1	0	251.647	1.803	40	5		CDBBRM
O=C([O-])COc1cc(F)c([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000001732236	373085445	/nfs/dbraw/zinc/08/54/45/373085445.db2.gz	IXQKJKRSNBANCS-UHFFFAOYSA-N	-1	0	260.133	1.106	40	5		CDBBRM
Nc1c(=O)cc2oc3cccc(CO)c3nc-2c1C(=O)[O-]	ZINC000004804233	374339193	/nfs/dbraw/zinc/33/91/93/374339193.db2.gz	BHUPIKYIGMWGAD-UHFFFAOYSA-N	-1	0	286.243	1.066	40	5		CDBBRM
CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000005021971	170057148	/nfs/dbraw/zinc/05/71/48/170057148.db2.gz	CBCIBNBNVKLWSC-JTQLQIEISA-N	-1	0	266.253	1.434	40	5		CDBBRM
CC(C)[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000019504638	170817219	/nfs/dbraw/zinc/81/72/19/170817219.db2.gz	GJCLFMMUHRVUEL-YBJDMEARSA-N	-1	0	292.291	1.833	40	5		CDBBRM
CN1C(=O)N/C(=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1=O	ZINC000409194559	360193578	/nfs/dbraw/zinc/19/35/78/360193578.db2.gz	PRBPCAYYAUMLOT-XVNBXDOJSA-N	-1	0	297.654	1.476	40	5		CDBBRM
O=[N+]([O-])c1ccc2nc(S(=O)(=O)[O-])sc2c1	ZINC000199990088	398078273	/nfs/dbraw/zinc/07/82/73/398078273.db2.gz	PDTRWPMOBLLQOH-UHFFFAOYSA-N	-1	0	260.252	1.451	40	5		CDBBRM
CC1=C(C(=O)[O-])[C@H](c2cccc([N+](=O)[O-])c2)CC(=O)N1	ZINC000038856776	174157929	/nfs/dbraw/zinc/15/79/29/174157929.db2.gz	PRDVRYDVJJPJMM-JTQLQIEISA-N	-1	0	276.248	1.557	40	5		CDBBRM
O=C([O-])[C@@H]1CCCN1C(=O)OCc1ccc([N+](=O)[O-])cc1	ZINC000059681875	175633028	/nfs/dbraw/zinc/63/30/28/175633028.db2.gz	GFVDJYNCILVSQW-NSHDSACASA-N	-1	0	294.263	1.780	40	5		CDBBRM
CC1=C(C(=O)[O-])[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1	ZINC000006664569	281656191	/nfs/dbraw/zinc/65/61/91/281656191.db2.gz	JRAMDMCEIDFGMQ-JTQLQIEISA-N	-1	0	277.236	1.307	40	5		CDBBRM
CC(C)[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000019435343	357253255	/nfs/dbraw/zinc/25/32/55/357253255.db2.gz	WXRZQTPLVYCUAM-OQHXTRMZSA-N	-1	0	292.291	1.833	40	5		CDBBRM
Cc1c([N+](=O)[O-])c(C(F)F)nn1CCCC(=O)[O-]	ZINC000408716755	360035171	/nfs/dbraw/zinc/03/51/71/360035171.db2.gz	QOUBIMBGODSHQH-UHFFFAOYSA-N	-1	0	263.200	1.902	40	5		CDBBRM
O=C([O-])C1=Nc2ncnn2[C@@H](c2cccc([N+](=O)[O-])c2)C1	ZINC000100663700	364239704	/nfs/dbraw/zinc/23/97/04/364239704.db2.gz	FHNDCFONWDOJCE-SNVBAGLBSA-N	-1	0	287.235	1.170	40	5		CDBBRM
CCC(=C([O-])c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O	ZINC000096518031	393188453	/nfs/dbraw/zinc/18/84/53/393188453.db2.gz	SFNDYQUFZYCAEP-JTQLQIEISA-N	-1	0	271.294	1.601	40	5		CDBBRM
O=c1[nH]c(C=Cc2ccccc2F)nc([O-])c1[N+](=O)[O-]	ZINC000009010299	170361279	/nfs/dbraw/zinc/36/12/79/170361279.db2.gz	NDIQFNZVXOWNTG-WAYWQWQTSA-N	-1	0	277.211	1.693	40	5		CDBBRM
Nc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccccc1	ZINC000072265577	176352198	/nfs/dbraw/zinc/35/21/98/176352198.db2.gz	DFFYBCRURDSRRD-UHFFFAOYSA-N	-1	0	293.304	1.978	40	5		CDBBRM
CC[C@H](C(=O)[O-])n1cc([N+](=O)[O-])c(OCC(F)(F)F)n1	ZINC000408716294	360039626	/nfs/dbraw/zinc/03/96/26/360039626.db2.gz	LCCUOGGZTIGDCD-RXMQYKEDSA-N	-1	0	297.189	1.768	40	5		CDBBRM
CC(C)Oc1nn(C(C)(C)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000408717038	360039664	/nfs/dbraw/zinc/03/96/64/360039664.db2.gz	VCMJWSQLAVYZEN-UHFFFAOYSA-N	-1	0	257.246	1.398	40	5		CDBBRM
O=C([O-])c1cc([N+](=O)[O-])c(Br)cc1O	ZINC000045957458	304227636	/nfs/dbraw/zinc/22/76/36/304227636.db2.gz	GRPPMTYOPCAAMJ-UHFFFAOYSA-N	-1	0	262.015	1.761	40	5		CDBBRM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cccc(O)c2)[nH]1	ZINC000343042838	152008884	/nfs/dbraw/zinc/00/88/84/152008884.db2.gz	YFMWRWWIKISZCG-PLNGDYQASA-N	-1	0	275.220	1.672	40	5		CDBBRM
N=c1[n-]nc(-c2cn(C3CCCC3)nc2[N+](=O)[O-])s1	ZINC000408717870	327772792	/nfs/dbraw/zinc/77/27/92/327772792.db2.gz	YNQGZVYXSBTLMH-UHFFFAOYSA-N	-1	0	280.313	1.837	40	5		CDBBRM
O=c1cc(NCc2c(Cl)cccc2[N+](=O)[O-])[nH]c(=O)[nH]1	ZINC000001750724	374372204	/nfs/dbraw/zinc/37/22/04/374372204.db2.gz	TZDQNVYJEWYSSX-UHFFFAOYSA-N	-1	0	296.670	1.237	40	5		CDBBRM
Cc1cccnc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000005260217	390947651	/nfs/dbraw/zinc/94/76/51/390947651.db2.gz	PKMZZCBVHNMTDU-UHFFFAOYSA-N	-1	0	293.304	1.521	40	5		CDBBRM
CC(C)[C@@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000019504637	357261380	/nfs/dbraw/zinc/26/13/80/357261380.db2.gz	GJCLFMMUHRVUEL-KTRBRXNASA-N	-1	0	292.291	1.833	40	5		CDBBRM
O=C([O-])[C@H]1CS[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)N1	ZINC000006219601	304202457	/nfs/dbraw/zinc/20/24/57/304202457.db2.gz	DVGHWKMKBVJDGU-LHLIQPBNSA-N	-1	0	298.276	1.112	40	5		CDBBRM
CC[N@H+](CC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)C1CC1	ZINC000166144741	398106139	/nfs/dbraw/zinc/10/61/39/398106139.db2.gz	GOHYZAMLDHNEHY-UHFFFAOYSA-N	-1	0	279.296	1.723	40	5		CDBBRM
O=C([O-])CCn1nc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000035655543	172331153	/nfs/dbraw/zinc/33/11/53/172331153.db2.gz	VSPGGLZCOPFVHV-UHFFFAOYSA-N	-1	0	253.136	1.285	40	5		CDBBRM
CC(=O)Nc1cc(NC(C)=O)c([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000005378302	170091087	/nfs/dbraw/zinc/09/10/87/170091087.db2.gz	LYEIUSNYOPSUKN-UHFFFAOYSA-N	-1	0	281.224	1.210	40	5		CDBBRM
Nc1nc(=NNc2ccc([N+](=O)[O-])cc2)[n-]cc1F	ZINC000408722735	260029143	/nfs/dbraw/zinc/02/91/43/260029143.db2.gz	WQXJUTGMQXZKKG-UHFFFAOYSA-N	-1	0	264.220	1.375	40	5		CDBBRM
N=c1[n-]nc(-c2cc([N+](=O)[O-])nn2C2CCCC2)s1	ZINC000408717836	327772658	/nfs/dbraw/zinc/77/26/58/327772658.db2.gz	XARCSCWFVCJJOR-UHFFFAOYSA-N	-1	0	280.313	1.837	40	5		CDBBRM
O=C([O-])[C@H]1CCCN1C(=O)OCc1ccc([N+](=O)[O-])cc1	ZINC000002569499	169811177	/nfs/dbraw/zinc/81/11/77/169811177.db2.gz	GFVDJYNCILVSQW-LLVKDONJSA-N	-1	0	294.263	1.780	40	5		CDBBRM
O=C([O-])c1nn(-c2ccc(Cl)cc2)nc1[N+](=O)[O-]	ZINC000089263374	304284369	/nfs/dbraw/zinc/28/43/69/304284369.db2.gz	YVHMCTJJOOTGBI-UHFFFAOYSA-N	-1	0	268.616	1.527	40	5		CDBBRM
COCCOCc1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000072209189	390617474	/nfs/dbraw/zinc/61/74/74/390617474.db2.gz	UQPAKJDARHMZQJ-UHFFFAOYSA-N	-1	0	255.226	1.456	40	5		CDBBRM
Cc1cc(S(=O)(=O)[O-])c([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000002525027	301402292	/nfs/dbraw/zinc/40/22/92/301402292.db2.gz	DSLLXNHZBMUPOW-UHFFFAOYSA-N	-1	0	262.199	1.058	40	5		CDBBRM
CCOC(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000036712365	362844813	/nfs/dbraw/zinc/84/48/13/362844813.db2.gz	DFDSFNPWZMDNOR-UHFFFAOYSA-N	-1	0	285.281	1.743	40	5		CDBBRM
O=C([O-])c1c(Br)cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000014982243	304216854	/nfs/dbraw/zinc/21/68/54/304216854.db2.gz	QFPZAEXSGILFAI-UHFFFAOYSA-N	-1	0	291.013	1.964	40	5		CDBBRM
CC1=C(C(=O)[O-])[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1	ZINC000006664572	391865043	/nfs/dbraw/zinc/86/50/43/391865043.db2.gz	JRAMDMCEIDFGMQ-SNVBAGLBSA-N	-1	0	277.236	1.307	40	5		CDBBRM
Cc1ccc(NC(=O)CCC(=O)[O-])c([N+](=O)[O-])c1	ZINC000008732319	170351648	/nfs/dbraw/zinc/35/16/48/170351648.db2.gz	OORUVVBJJJRJIQ-UHFFFAOYSA-N	-1	0	252.226	1.707	40	5		CDBBRM
CC(C)Oc1nn(C[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000408717390	528292756	/nfs/dbraw/zinc/29/27/56/528292756.db2.gz	ZJHRJUTVXFLCOH-SSDOTTSWSA-N	-1	0	257.246	1.299	40	5		CDBBRM
Cc1cc([N+](=O)[O-])nn1[C@H](CC(=O)[O-])C(F)(F)F	ZINC000685936510	539098904	/nfs/dbraw/zinc/09/89/04/539098904.db2.gz	CFZZJYAZNVUJPJ-RXMQYKEDSA-N	-1	0	267.163	1.678	40	5		CDBBRM
COc1ccc([N+](=O)[O-])cc1N1C[C@H](C(=O)[O-])CC1=O	ZINC000034956979	364292156	/nfs/dbraw/zinc/29/21/56/364292156.db2.gz	WIOKQEDSKFQPEE-SSDOTTSWSA-N	-1	0	280.236	1.041	40	5		CDBBRM
O=C([O-])[C@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1	ZINC000022163114	304186661	/nfs/dbraw/zinc/18/66/61/304186661.db2.gz	VECOVUPMXNDMBT-SNVBAGLBSA-N	-1	0	264.237	1.284	40	5		CDBBRM
C[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000019423443	374734073	/nfs/dbraw/zinc/73/40/73/374734073.db2.gz	KJOBWQBDKFKRKL-IPWDFOCMSA-N	-1	0	264.237	1.197	40	5		CDBBRM
C[C@@H](C(=O)[O-])n1cc([N+](=O)[O-])c(OCCC(F)(F)F)n1	ZINC000408716838	230408965	/nfs/dbraw/zinc/40/89/65/230408965.db2.gz	ROUORSQWDRKPCA-YFKPBYRVSA-N	-1	0	297.189	1.768	40	5		CDBBRM
CC(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000036532249	362180599	/nfs/dbraw/zinc/18/05/99/362180599.db2.gz	JRNOYWVSPLDTCN-UHFFFAOYSA-N	-1	0	255.255	1.133	40	5		CDBBRM
O=C([O-])C1CN(c2ccc(Cl)cc2[N+](=O)[O-])C1	ZINC000071173387	304042584	/nfs/dbraw/zinc/04/25/84/304042584.db2.gz	ODBMRECPBWEWDT-UHFFFAOYSA-N	-1	0	256.645	1.769	40	5		CDBBRM
O=[N+]([O-])c1cccc2ccc(S(=O)(=O)[O-])cc21	ZINC000001669716	304806962	/nfs/dbraw/zinc/80/69/62/304806962.db2.gz	RLCVDUBXMVTRQZ-UHFFFAOYSA-N	-1	0	253.235	1.995	40	5		CDBBRM
C[C@@H](C(=O)[O-])n1nc([N+](=O)[O-])cc1C(F)(F)F	ZINC000035655545	295804276	/nfs/dbraw/zinc/80/42/76/295804276.db2.gz	AMXSCKYCGJVYMH-VKHMYHEASA-N	-1	0	253.136	1.456	40	5		CDBBRM
O=C([O-])c1conc1[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000504747126	375682982	/nfs/dbraw/zinc/68/29/82/375682982.db2.gz	NBUAPIAFWOUWIP-JTQLQIEISA-N	-1	0	264.193	1.363	40	5		CDBBRM
CS(=O)(=O)c1ccc(CCC(=O)[O-])c([N+](=O)[O-])c1	ZINC000228951366	375816460	/nfs/dbraw/zinc/81/64/60/375816460.db2.gz	OFLRLJYIHYVQNS-UHFFFAOYSA-N	-1	0	273.266	1.016	40	5		CDBBRM
CCOC(=O)c1cc2c([nH]1)c([O-])ccc2[N+](=O)[O-]	ZINC000021982371	171344385	/nfs/dbraw/zinc/34/43/85/171344385.db2.gz	HXABICADGMAEEA-UHFFFAOYSA-N	-1	0	250.210	1.958	40	5		CDBBRM
Cc1ccccc1Cn1cc(C(=O)[O-])c([N+](=O)[O-])n1	ZINC000408716293	360039716	/nfs/dbraw/zinc/03/97/16/360039716.db2.gz	LBYUMAPHWQXSDW-UHFFFAOYSA-N	-1	0	261.237	1.846	40	5		CDBBRM
CC[C@@H](C(=O)[O-])N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000005002550	360065972	/nfs/dbraw/zinc/06/59/72/360065972.db2.gz	WYLHEQJILASWFR-ZETCQYMHSA-N	-1	0	278.220	1.054	40	5		CDBBRM
O=C([O-])CCCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1	ZINC000019422989	376922410	/nfs/dbraw/zinc/92/24/10/376922410.db2.gz	IEJYKFRKXNZFQL-VOTSOKGWSA-N	-1	0	278.264	1.589	40	5		CDBBRM
CCC(=C([O-])c1ccc([N+](=O)[O-])cc1)S(=O)(=O)CC	ZINC000096518070	393188736	/nfs/dbraw/zinc/18/87/36/393188736.db2.gz	XMOZRQGXDCNKMP-LLVKDONJSA-N	-1	0	285.321	1.991	40	5		CDBBRM
C[C@H](Nc1ccc([N+](=O)[O-])c2nonc21)C(=O)[O-]	ZINC000005664777	170125673	/nfs/dbraw/zinc/12/56/73/170125673.db2.gz	KWAIYUDRTUOOPG-BYPYZUCNSA-N	-1	0	252.186	1.016	40	5		CDBBRM
Cn1cc([N+](=O)[O-])c(Oc2ccc(CC(=O)[O-])cc2)n1	ZINC000095098559	365902251	/nfs/dbraw/zinc/90/22/51/365902251.db2.gz	KTYZYTRIXZULGB-UHFFFAOYSA-N	-1	0	277.236	1.748	40	5		CDBBRM
O=C([O-])CN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])o2)C1=O	ZINC000409148178	230412589	/nfs/dbraw/zinc/41/25/89/230412589.db2.gz	OWNDQHKGUGEGNN-ZZXKWVIFSA-N	-1	0	298.232	1.309	40	5		CDBBRM
Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1[N+](=O)[O-]	ZINC000100071644	358819862	/nfs/dbraw/zinc/81/98/62/358819862.db2.gz	JROWKMSMOKJXDW-UHFFFAOYSA-N	-1	0	264.197	1.290	40	5		CDBBRM
C[C@H](O)[C@@H](NSc1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000005721719	170133196	/nfs/dbraw/zinc/13/31/96/170133196.db2.gz	QJMPRIHAPGGFMA-IMTBSYHQSA-N	-1	0	272.282	1.026	40	5		CDBBRM
C[C@H](C(=O)[O-])n1nc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000035655540	298219498	/nfs/dbraw/zinc/21/94/98/298219498.db2.gz	ZXUZRYLZKLRRBY-GSVOUGTGSA-N	-1	0	253.136	1.456	40	5		CDBBRM
O=C([O-])[C@@H]1CC(=O)O[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000085394880	304098204	/nfs/dbraw/zinc/09/82/04/304098204.db2.gz	XKPHQFZUQWQCRO-SCZZXKLOSA-N	-1	0	251.194	1.284	40	5		CDBBRM
O=C([O-])c1cc(Cl)c(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000070462624	304224264	/nfs/dbraw/zinc/22/42/64/304224264.db2.gz	FWIXMXZUNFOLFF-UHFFFAOYSA-N	-1	0	286.671	1.783	40	5		CDBBRM
O=C(Nc1[n-]c(=O)ncc1F)c1ccc([N+](=O)[O-])cc1	ZINC000001601271	411623240	/nfs/dbraw/zinc/62/32/40/411623240.db2.gz	DQXRKOPRJSNSMH-UHFFFAOYSA-N	-1	0	278.199	1.482	40	5		CDBBRM
O=C([O-])c1cc([N+](=O)[O-])ccc1Sc1nccc(=O)[nH]1	ZINC000016385744	262025100	/nfs/dbraw/zinc/02/51/00/262025100.db2.gz	YFETXCPOAPMYFE-UHFFFAOYSA-N	-1	0	293.260	1.940	40	5		CDBBRM
Cc1c(C)c(S(=O)(=O)[O-])c([N+](=O)[O-])c(C)c1[N+](=O)[O-]	ZINC000005536010	300951569	/nfs/dbraw/zinc/95/15/69/300951569.db2.gz	PJKHJXWDBWTDRN-UHFFFAOYSA-N	-1	0	290.253	1.675	40	5		CDBBRM
CC(C)[C@@H](NC(=O)OCc1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000039426390	833358079	/nfs/dbraw/zinc/35/80/79/833358079.db2.gz	XXXLMCCEDSQNFW-LLVKDONJSA-N	-1	0	296.279	1.930	40	5		CDBBRM
O=C([O-])c1csc(Nc2ccccc2[N+](=O)[O-])n1	ZINC000604941575	345459438	/nfs/dbraw/zinc/45/94/38/345459438.db2.gz	IYRUTFRSFFVKMI-UHFFFAOYSA-N	-1	0	265.250	1.915	40	5		CDBBRM
O=C([O-])[C@@H]1CC(=O)O[C@@H]1c1ccccc1[N+](=O)[O-]	ZINC000085394861	304098272	/nfs/dbraw/zinc/09/82/72/304098272.db2.gz	PNYFBUUZSWWNOO-GMSGAONNSA-N	-1	0	251.194	1.284	40	5		CDBBRM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccccn2)c1	ZINC000003900341	375809765	/nfs/dbraw/zinc/80/97/65/375809765.db2.gz	AQGKUVNMQYSMHP-UHFFFAOYSA-N	-1	0	279.277	1.213	40	5		CDBBRM
O=C1[N-]C(=O)/C(=C\C=C\c2ccccc2[N+](=O)[O-])N1	ZINC000409044275	363865662	/nfs/dbraw/zinc/86/56/62/363865662.db2.gz	VDTRSYDQSJQVJC-USXIXMCRSA-N	-1	0	259.221	1.331	40	5		CDBBRM
O=Cc1ccc(SCCC(=O)[O-])c([N+](=O)[O-])c1	ZINC000016384700	373073461	/nfs/dbraw/zinc/07/34/61/373073461.db2.gz	DUYDHRXAJVMKQJ-UHFFFAOYSA-N	-1	0	255.251	1.974	40	5		CDBBRM
Cn1cc([N+](=O)[O-])c(Oc2cccc(C(=O)[O-])c2)n1	ZINC000095098561	184944830	/nfs/dbraw/zinc/94/48/30/184944830.db2.gz	RVXDNNPDEPYOAA-UHFFFAOYSA-N	-1	0	263.209	1.819	40	5		CDBBRM
CCS(=O)(=O)C(C)=C([O-])c1ccc([N+](=O)[O-])cc1	ZINC000096518005	393188573	/nfs/dbraw/zinc/18/85/73/393188573.db2.gz	SGROGUYDQGTERP-QMMMGPOBSA-N	-1	0	271.294	1.601	40	5		CDBBRM
CCOC(=O)c1c[n-]c2c(cc(OC)cc2[N+](=O)[O-])c1=O	ZINC000005424343	170097678	/nfs/dbraw/zinc/09/76/78/170097678.db2.gz	LBBDRKQWRYCIMB-UHFFFAOYSA-N	-1	0	292.247	1.622	40	5		CDBBRM
CC1=C(C(=O)[O-])[C@@H](c2ccccc2[N+](=O)[O-])CC(=O)N1	ZINC000038856774	281656010	/nfs/dbraw/zinc/65/60/10/281656010.db2.gz	PLFQAOMHIGIJPC-SECBINFHSA-N	-1	0	276.248	1.557	40	5		CDBBRM
CC[C@H](C(=O)[O-])n1cc(-n2cc([N+](=O)[O-])cn2)cn1	ZINC000685936762	539098959	/nfs/dbraw/zinc/09/89/59/539098959.db2.gz	WKQODZWMKFHUTM-SECBINFHSA-N	-1	0	265.229	1.013	40	5		CDBBRM
O=C([O-])C1=Nc2ncnn2[C@H](c2ccccc2[N+](=O)[O-])C1	ZINC000102243562	304035875	/nfs/dbraw/zinc/03/58/75/304035875.db2.gz	JSUTYRCFTLEARS-JTQLQIEISA-N	-1	0	287.235	1.170	40	5		CDBBRM
O=C([O-])c1cc(-c2cccc([N+](=O)[O-])c2)nc2ncnn21	ZINC000012396832	304219322	/nfs/dbraw/zinc/21/93/22/304219322.db2.gz	RMBUUHBJGKPHDT-UHFFFAOYSA-N	-1	0	285.219	1.398	40	5		CDBBRM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccncc2)s1	ZINC000078554410	177353946	/nfs/dbraw/zinc/35/39/46/177353946.db2.gz	BAUUQBNCELOOEY-UHFFFAOYSA-N	-1	0	285.306	1.852	40	5		CDBBRM
Cc1c([N+](=O)[O-])cccc1N1C[C@@H](C(=O)[O-])CC1=O	ZINC000045953596	301013301	/nfs/dbraw/zinc/01/33/01/301013301.db2.gz	CKQOSVDGVUENSD-QMMMGPOBSA-N	-1	0	264.237	1.341	40	5		CDBBRM
C[C@H](C(=O)[O-])n1cc([N+](=O)[O-])c(OCC(F)F)n1	ZINC000408715598	360039271	/nfs/dbraw/zinc/03/92/71/360039271.db2.gz	BYFXORACVRMNQO-SCSAIBSYSA-N	-1	0	265.172	1.081	40	5		CDBBRM
CC(C)n1ncc([N+](=O)[O-])c1-c1n[n-]c(=N)s1	ZINC000408717661	390869941	/nfs/dbraw/zinc/86/99/41/390869941.db2.gz	NAIGTZYZUSYPLG-UHFFFAOYSA-N	-1	0	254.275	1.303	40	5		CDBBRM
C[C@H](CC(=O)[O-])S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000002046574	298314793	/nfs/dbraw/zinc/31/47/93/298314793.db2.gz	WQIRLCXVDGJNTO-SSDOTTSWSA-N	-1	0	273.266	1.232	40	5		CDBBRM
O=c1ccc2c([N+](=O)[O-])cc([N+](=O)[O-])c([O-])c2[nH]1	ZINC000017020299	304801120	/nfs/dbraw/zinc/80/11/20/304801120.db2.gz	DJAXDLJCIDXZON-UHFFFAOYSA-N	-1	0	251.154	1.462	40	5		CDBBRM
O=C([O-])COc1c(F)cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000001706133	370734580	/nfs/dbraw/zinc/73/45/80/370734580.db2.gz	UCRNUJKDSAWYLZ-UHFFFAOYSA-N	-1	0	260.133	1.106	40	5		CDBBRM
O=C1NC(=O)C(=Cc2cccc([N+](=O)[O-])c2[O-])S1	ZINC000003029911	375511552	/nfs/dbraw/zinc/51/15/52/375511552.db2.gz	XGYPLQYDIPBIBU-QPJJXVBHSA-N	-1	0	266.234	1.624	40	5		CDBBRM
O=C([O-])c1c[nH]c(=S)n(-c2cccc([N+](=O)[O-])c2)c1=O	ZINC000020156314	304218504	/nfs/dbraw/zinc/21/85/04/304218504.db2.gz	OOYQMPXWPXULSC-UHFFFAOYSA-N	-1	0	293.260	1.501	40	5		CDBBRM
CCOC(=O)c1nnc(-c2ccccc2[N+](=O)[O-])[n-]1	ZINC000085385661	179046662	/nfs/dbraw/zinc/04/66/62/179046662.db2.gz	ZULSJMVGWFZXRD-UHFFFAOYSA-N	-1	0	262.225	1.557	40	5		CDBBRM
C[C@@H](CC(=O)[O-])n1cc([N+](=O)[O-])c(OCC(F)(F)F)n1	ZINC000408715669	360037647	/nfs/dbraw/zinc/03/76/47/360037647.db2.gz	CHHYLABZUKQBLX-YFKPBYRVSA-N	-1	0	297.189	1.768	40	5		CDBBRM
O=C([O-])[C@H]1CC(=O)O[C@H]1c1ccccc1[N+](=O)[O-]	ZINC000085394871	304175087	/nfs/dbraw/zinc/17/50/87/304175087.db2.gz	PNYFBUUZSWWNOO-XVKPBYJWSA-N	-1	0	251.194	1.284	40	5		CDBBRM
C[C@@]1(C(=O)[O-])CC(c2ccc([N+](=O)[O-])cc2)=NO1	ZINC000071980987	390536307	/nfs/dbraw/zinc/53/63/07/390536307.db2.gz	BJFFRJNKNQZQTE-NSHDSACASA-N	-1	0	250.210	1.563	40	5		CDBBRM
Cn1c(=O)c2c([O-])c(C=O)c(=O)oc2c2ccccc21	ZINC000000031861	424596722	/nfs/dbraw/zinc/59/67/22/424596722.db2.gz	IBHYGMFCGMWTNY-UHFFFAOYSA-N	-1	0	271.228	1.163	40	5		CDBBRM
O=C([O-])/C=C/C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000000164256	359172029	/nfs/dbraw/zinc/17/20/29/359172029.db2.gz	OZZUVTAMUUOPOJ-ONEGZZNKSA-N	-1	0	270.628	1.828	40	5		CDBBRM
CC(C)(OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000001850069	169759869	/nfs/dbraw/zinc/75/98/69/169759869.db2.gz	HUAFWIKSDZYCHZ-UHFFFAOYSA-N	-1	0	253.210	1.615	40	5		CDBBRM
O=C([O-])[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-]	ZINC000022177309	304113780	/nfs/dbraw/zinc/11/37/80/304113780.db2.gz	RYEXOGQBKUDZDQ-JTQLQIEISA-N	-1	0	264.237	1.284	40	5		CDBBRM
Nc1nnc(Sc2ccc([N+](=O)[O-])cc2C(=O)[O-])s1	ZINC000005944007	170160543	/nfs/dbraw/zinc/16/05/43/170160543.db2.gz	IQXBEJPSUIDUGL-UHFFFAOYSA-N	-1	0	298.305	1.878	40	5		CDBBRM
O=c1c2ccccc2c(=O)c1=N[N-]c1ccccc1[N+](=O)[O-]	ZINC000016525169	280391943	/nfs/dbraw/zinc/39/19/43/280391943.db2.gz	RXFXLEMNWYTWBD-UHFFFAOYSA-N	-1	0	295.254	1.272	40	5		CDBBRM
Cc1ncc([N+](=O)[O-])n1Cc1ccc(C(=O)[O-])cc1	ZINC000408605282	359987107	/nfs/dbraw/zinc/98/71/07/359987107.db2.gz	LMKUDGUIXLQFTA-UHFFFAOYSA-N	-1	0	261.237	1.846	40	5		CDBBRM
O=C([O-])CCCn1cc([N+](=O)[O-])c(OCC(F)F)n1	ZINC000408716281	360039776	/nfs/dbraw/zinc/03/97/76/360039776.db2.gz	KVUWGBOPJJFONI-UHFFFAOYSA-N	-1	0	279.199	1.300	40	5		CDBBRM
O=C([O-])[C@@H]1CC(=O)O[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000001747145	374043488	/nfs/dbraw/zinc/04/34/88/374043488.db2.gz	QPJTYBKOUUEXKK-SCZZXKLOSA-N	-1	0	251.194	1.284	40	5		CDBBRM
O=[N+]([O-])c1cc(S(=O)(=O)[O-])ccc1N1CCCCC1	ZINC000059442614	539051419	/nfs/dbraw/zinc/05/14/19/539051419.db2.gz	CLQHQKVADUXBRZ-UHFFFAOYSA-N	-1	0	286.309	1.832	40	5		CDBBRM
Cc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])o1	ZINC000409313469	364028424	/nfs/dbraw/zinc/02/84/24/364028424.db2.gz	CBLOVOPKSQFKBS-PLNGDYQASA-N	-1	0	263.209	1.868	40	5		CDBBRM
CCn1nc(-c2ccc([N+](=O)[O-])cc2)cc(C(=O)[O-])c1=O	ZINC000082459371	178034617	/nfs/dbraw/zinc/03/46/17/178034617.db2.gz	YWISRZJSYZJERL-UHFFFAOYSA-N	-1	0	289.247	1.537	40	5		CDBBRM
O=C([O-])[C@@H]1CS[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)N1	ZINC000006219599	304137785	/nfs/dbraw/zinc/13/77/85/304137785.db2.gz	DVGHWKMKBVJDGU-QUBYGPBYSA-N	-1	0	298.276	1.112	40	5		CDBBRM
C[C@@H](CC(=O)[O-])n1cc(-n2cc([N+](=O)[O-])cn2)cn1	ZINC000685936735	539099057	/nfs/dbraw/zinc/09/90/57/539099057.db2.gz	UOWOXAACLKSJCH-ZETCQYMHSA-N	-1	0	265.229	1.013	40	5		CDBBRM
CC(=O)N[C@@H](CSCc1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000016320994	370140693	/nfs/dbraw/zinc/14/06/93/370140693.db2.gz	ZGRBPNQWNJPFJP-NSHDSACASA-N	-1	0	298.320	1.417	40	5		CDBBRM
O=C([O-])c1cccn(OCc2cccc([N+](=O)[O-])c2)c1=O	ZINC000041670662	379442176	/nfs/dbraw/zinc/44/21/76/379442176.db2.gz	INUJLGAFJBRMOV-UHFFFAOYSA-N	-1	0	290.231	1.084	40	5		CDBBRM
CCOC(=O)c1nnc(COc2cccc([N+](=O)[O-])c2)[n-]1	ZINC000085385879	179046643	/nfs/dbraw/zinc/04/66/43/179046643.db2.gz	KTUNSQBQTFPWEJ-UHFFFAOYSA-N	-1	0	292.251	1.469	40	5		CDBBRM
O=C([O-])[C@H]1CC(=O)O[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000001747141	304174923	/nfs/dbraw/zinc/17/49/23/304174923.db2.gz	QPJTYBKOUUEXKK-WPRPVWTQSA-N	-1	0	251.194	1.284	40	5		CDBBRM
CCS(=O)(=O)C(C)=C([O-])c1cccc([N+](=O)[O-])c1	ZINC000096518009	393188463	/nfs/dbraw/zinc/18/84/63/393188463.db2.gz	BRNWKQRKJWMXFS-QMMMGPOBSA-N	-1	0	271.294	1.601	40	5		CDBBRM
O=C([O-])CCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000026467844	171486034	/nfs/dbraw/zinc/48/60/34/171486034.db2.gz	IJGLZONKHWSNLC-UHFFFAOYSA-N	-1	0	263.209	1.662	40	5		CDBBRM
CC[C@@H](C(=O)[O-])n1cc(-n2cc([N+](=O)[O-])cn2)cn1	ZINC000685936763	539099026	/nfs/dbraw/zinc/09/90/26/539099026.db2.gz	WKQODZWMKFHUTM-VIFPVBQESA-N	-1	0	265.229	1.013	40	5		CDBBRM
C[C@]1(C(=O)[O-])CC(c2ccccc2[N+](=O)[O-])=NO1	ZINC000071980988	390543661	/nfs/dbraw/zinc/54/36/61/390543661.db2.gz	KOXPDXFFQMVVNG-LLVKDONJSA-N	-1	0	250.210	1.563	40	5		CDBBRM
Cc1c([N+](=O)[O-])c(C(F)F)nn1C[C@H](C)C(=O)[O-]	ZINC000408715852	230408442	/nfs/dbraw/zinc/40/84/42/230408442.db2.gz	FTRNTYIVKAAJDM-BYPYZUCNSA-N	-1	0	263.200	1.758	40	5		CDBBRM
COc1nn([C@H](CC(=O)[O-])C(F)(F)F)cc1[N+](=O)[O-]	ZINC000685936502	539098866	/nfs/dbraw/zinc/09/88/66/539098866.db2.gz	BVFZEEWLPQTWIZ-RXMQYKEDSA-N	-1	0	283.162	1.378	40	5		CDBBRM
O=C([O-])c1cc(NC(=O)c2ccc([N+](=O)[O-])o2)ccc1O	ZINC000019392302	374732531	/nfs/dbraw/zinc/73/25/31/374732531.db2.gz	ONOJXRTZZGHNGG-UHFFFAOYSA-N	-1	0	292.203	1.844	40	5		CDBBRM
CC(=C([O-])c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000096517988	390533756	/nfs/dbraw/zinc/53/37/56/390533756.db2.gz	UVTMCIJGPPJLAT-SSDOTTSWSA-N	-1	0	257.267	1.211	40	5		CDBBRM
CCC(=O)N[C@H](Cc1cc([N+](=O)[O-])ccc1OC)C(=O)[O-]	ZINC000005307321	170084741	/nfs/dbraw/zinc/08/47/41/170084741.db2.gz	PTBRNTULLWPCEU-SNVBAGLBSA-N	-1	0	296.279	1.125	40	5		CDBBRM
CCC(=C([O-])c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O	ZINC000096518032	393188382	/nfs/dbraw/zinc/18/83/82/393188382.db2.gz	SFNDYQUFZYCAEP-SNVBAGLBSA-N	-1	0	271.294	1.601	40	5		CDBBRM
C[C@H](C(=O)[O-])n1cc([N+](=O)[O-])c(OCC(F)(F)F)n1	ZINC000408716938	230408940	/nfs/dbraw/zinc/40/89/40/230408940.db2.gz	SXAKJXZAWMGANG-SCSAIBSYSA-N	-1	0	283.162	1.378	40	5		CDBBRM
Nc1cc(N2CCC[C@@H]2C(=O)[O-])c(Cl)cc1[N+](=O)[O-]	ZINC000059726323	356323857	/nfs/dbraw/zinc/32/38/57/356323857.db2.gz	VZPPKCYYIHBYIM-MRVPVSSYSA-N	-1	0	285.687	1.884	40	5		CDBBRM
COc1ccccc1Nc1[n-]c(=O)nc(C)c1[N+](=O)[O-]	ZINC000005276892	170082152	/nfs/dbraw/zinc/08/21/52/170082152.db2.gz	AJQWPQJHAJCKCG-UHFFFAOYSA-N	-1	0	276.252	1.739	40	5		CDBBRM
C[C@H](C(=O)[O-])n1cc([N+](=O)[O-])c(OCCC(F)(F)F)n1	ZINC000408716837	360039183	/nfs/dbraw/zinc/03/91/83/360039183.db2.gz	ROUORSQWDRKPCA-RXMQYKEDSA-N	-1	0	297.189	1.768	40	5		CDBBRM
O=C([O-])c1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1O	ZINC000019389026	374732339	/nfs/dbraw/zinc/73/23/39/374732339.db2.gz	NWNRPBQWXLQCCS-UHFFFAOYSA-N	-1	0	292.203	1.844	40	5		CDBBRM
COc1cc([C@H](CC(=O)[O-])C[N+](=O)[O-])cc(OC)c1OC	ZINC000057628676	375544213	/nfs/dbraw/zinc/54/42/13/375544213.db2.gz	IXSGPLORKAWRRK-SECBINFHSA-N	-1	0	299.279	1.547	40	5		CDBBRM
CC1=C(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CCO1	ZINC000044790201	175254192	/nfs/dbraw/zinc/25/41/92/175254192.db2.gz	JDBZVLXMWFXHPY-UHFFFAOYSA-N	-1	0	264.237	1.933	40	5		CDBBRM
Cn1ncc(C(=O)[O-])c1C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000036615509	362204990	/nfs/dbraw/zinc/20/49/90/362204990.db2.gz	JSIHKTNDAFKMBE-UHFFFAOYSA-N	-1	0	290.235	1.279	40	5		CDBBRM
CCOC(=O)c1nnc(-c2cc([N+](=O)[O-])ccc2OC)[n-]1	ZINC000085386004	179046987	/nfs/dbraw/zinc/04/69/87/179046987.db2.gz	WHGXFHLTPAWSMP-UHFFFAOYSA-N	-1	0	292.251	1.565	40	5		CDBBRM
Cc1csc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1	ZINC000004951248	170044873	/nfs/dbraw/zinc/04/48/73/170044873.db2.gz	QTJPTPSARYIGEG-UHFFFAOYSA-N	-1	0	299.333	1.582	40	5		CDBBRM
Cc1cn([C@H](CC(=O)[O-])C(F)(F)F)nc1[N+](=O)[O-]	ZINC000675031820	539083748	/nfs/dbraw/zinc/08/37/48/539083748.db2.gz	PCAHBAGWUFPHHQ-RXMQYKEDSA-N	-1	0	267.163	1.678	40	5		CDBBRM
O=C([O-])CSc1c2nonc2ccc1[N+](=O)[O-]	ZINC000004570529	304072879	/nfs/dbraw/zinc/07/28/79/304072879.db2.gz	NSPSHHIRKBYAEF-UHFFFAOYSA-N	-1	0	255.211	1.308	40	5		CDBBRM
Cc1nnc(Sc2ccc(C(=O)[O-])cc2[N+](=O)[O-])[nH]1	ZINC000014116052	358884766	/nfs/dbraw/zinc/88/47/66/358884766.db2.gz	KLGGHTLUCWNAMU-UHFFFAOYSA-N	-1	0	280.265	1.871	40	5		CDBBRM
CCC(=C([O-])c1cccc([N+](=O)[O-])c1)S(=O)(=O)CC	ZINC000096518075	393188918	/nfs/dbraw/zinc/18/89/18/393188918.db2.gz	SXGFVXLUORWCOJ-NSHDSACASA-N	-1	0	285.321	1.991	40	5		CDBBRM
CCCNc1nn(-c2ccc([N+](=O)[O-])cc2)nc1C(=O)[O-]	ZINC000256048404	350908882	/nfs/dbraw/zinc/90/88/82/350908882.db2.gz	STFSWQFNRPTCML-UHFFFAOYSA-N	-1	0	291.267	1.696	40	5		CDBBRM
COc1cc(OC)cc([C@H](CC(=O)[O-])C[N+](=O)[O-])c1	ZINC000217536115	364327830	/nfs/dbraw/zinc/32/78/30/364327830.db2.gz	MRUKXHATYIXJIT-SECBINFHSA-N	-1	0	269.253	1.539	40	5		CDBBRM
COC(=O)c1cc(=O)c2c(ccc3oc(=O)ccc32)[n-]1	ZINC000005386985	291995482	/nfs/dbraw/zinc/99/54/82/291995482.db2.gz	KZCKCTCVCKQAJF-UHFFFAOYSA-N	-1	0	271.228	1.421	40	5		CDBBRM
Cc1nnc(Sc2ccc([N+](=O)[O-])cc2C(=O)[O-])[nH]1	ZINC000014115992	358884724	/nfs/dbraw/zinc/88/47/24/358884724.db2.gz	AMXKBSNDKCODLB-UHFFFAOYSA-N	-1	0	280.265	1.871	40	5		CDBBRM
O=C([O-])c1ccc2nc3ccc(F)cc3c(=O)n2c1	ZINC000096515988	390532559	/nfs/dbraw/zinc/53/25/59/390532559.db2.gz	FCOLLLGCANSCSA-UHFFFAOYSA-N	-1	0	258.208	1.685	40	5		CDBBRM
CC(=O)N/C(=C\c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000004695238	170000116	/nfs/dbraw/zinc/00/01/16/170000116.db2.gz	DJEQBISYZQQEJZ-WTKPLQERSA-N	-1	0	284.655	1.810	40	5		CDBBRM
Nc1ccc2cc([N+](=O)[O-])cc(S(=O)(=O)[O-])c2c1	ZINC000003844819	303498920	/nfs/dbraw/zinc/49/89/20/303498920.db2.gz	DWGBLODXAMYUOP-UHFFFAOYSA-N	-1	0	268.250	1.577	40	5		CDBBRM
CCOC(=O)c1nnc(COc2ccc([N+](=O)[O-])cc2)[n-]1	ZINC000085385804	179046358	/nfs/dbraw/zinc/04/63/58/179046358.db2.gz	HTDIZZIXDJBHKO-UHFFFAOYSA-N	-1	0	292.251	1.469	40	5		CDBBRM
CCOC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc2c1=O	ZINC000060131782	390219071	/nfs/dbraw/zinc/21/90/71/390219071.db2.gz	CQDHMEGGSXPPIN-UHFFFAOYSA-N	-1	0	263.209	1.420	40	5		CDBBRM
COc1cc([N+](=O)[O-])cc2c(=O)c(C(=O)[O-])c[nH]c12	ZINC000006024874	170169252	/nfs/dbraw/zinc/16/92/52/170169252.db2.gz	UTAHMBDEGBBTSA-UHFFFAOYSA-N	-1	0	264.193	1.143	40	5		CDBBRM
C[C@H](C(=O)[O-])n1nc([N+](=O)[O-])cc1C(F)(F)F	ZINC000035655546	298219347	/nfs/dbraw/zinc/21/93/47/298219347.db2.gz	AMXSCKYCGJVYMH-GSVOUGTGSA-N	-1	0	253.136	1.456	40	5		CDBBRM
CC[C@H](C)[C@H](Nc1ncc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-]	ZINC000095871176	185030348	/nfs/dbraw/zinc/03/03/48/185030348.db2.gz	XFTSPXAOFRRYGT-RCOVLWMOSA-N	-1	0	298.255	1.809	40	5		CDBBRM
O=C([O-])C1=Nc2ncnn2[C@@H](c2ccc([N+](=O)[O-])cc2)C1	ZINC000100646386	304036160	/nfs/dbraw/zinc/03/61/60/304036160.db2.gz	FHEGNQAYWPIEPY-SNVBAGLBSA-N	-1	0	287.235	1.170	40	5		CDBBRM
O=C([O-])c1nn(-c2ccccc2Cl)nc1[N+](=O)[O-]	ZINC000089263366	358400569	/nfs/dbraw/zinc/40/05/69/358400569.db2.gz	XZXAFOFZEIFPOH-UHFFFAOYSA-N	-1	0	268.616	1.527	40	5		CDBBRM
CC(C)(C(=O)[O-])n1cc([N+](=O)[O-])c(OCC(F)F)n1	ZINC000408715999	360038064	/nfs/dbraw/zinc/03/80/64/360038064.db2.gz	HTMCDEFVJREBAJ-UHFFFAOYSA-N	-1	0	279.199	1.255	40	5		CDBBRM
Cc1nc(COc2ccccc2[N+](=O)[O-])ncc1C(=O)[O-]	ZINC000217399563	375635124	/nfs/dbraw/zinc/63/51/24/375635124.db2.gz	VTWVTLDENUWADE-UHFFFAOYSA-N	-1	0	289.247	1.970	40	5		CDBBRM
COc1c(F)c(F)c([N+](=O)[O-])c(C(=O)[O-])c1F	ZINC000016158130	391503272	/nfs/dbraw/zinc/50/32/72/391503272.db2.gz	MGDZIIULBYARTA-UHFFFAOYSA-N	-1	0	251.116	1.719	40	5		CDBBRM
C[C@H](SCC(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000006260186	170186431	/nfs/dbraw/zinc/18/64/31/170186431.db2.gz	WTMQGCFEZIXYTF-ZETCQYMHSA-N	-1	0	269.278	1.984	40	5		CDBBRM
COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)[O-])CC1=O	ZINC000019944685	170936071	/nfs/dbraw/zinc/93/60/71/170936071.db2.gz	BEMVCPJZBJNGPJ-SSDOTTSWSA-N	-1	0	280.236	1.041	40	5		CDBBRM
CC1=C(C(=O)[O-])[C@@H](c2cccc([N+](=O)[O-])c2)CC(=O)N1	ZINC000038856778	174157948	/nfs/dbraw/zinc/15/79/48/174157948.db2.gz	PRDVRYDVJJPJMM-SNVBAGLBSA-N	-1	0	276.248	1.557	40	5		CDBBRM
COc1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1[N+](=O)[O-]	ZINC000045952963	175388618	/nfs/dbraw/zinc/38/86/18/175388618.db2.gz	CSBKJIIANGLWMC-SSDOTTSWSA-N	-1	0	280.236	1.041	40	5		CDBBRM
CC[C@@H](C(=O)[O-])n1cc([N+](=O)[O-])c(OCC(F)F)n1	ZINC000408715986	360037998	/nfs/dbraw/zinc/03/79/98/360037998.db2.gz	HNXQCKJKJSGZNK-YFKPBYRVSA-N	-1	0	279.199	1.471	40	5		CDBBRM
COc1cc([N+](=O)[O-])cc(C=C2NC(=S)NC2=O)c1[O-]	ZINC000016194933	367784858	/nfs/dbraw/zinc/78/48/58/367784858.db2.gz	BBKOXHZSNGEVIX-CLTKARDFSA-N	-1	0	295.276	1.066	40	5		CDBBRM
CCOc1ccc(N2C[C@H](C(=O)[O-])CC2=O)c([N+](=O)[O-])c1	ZINC000070461185	374662857	/nfs/dbraw/zinc/66/28/57/374662857.db2.gz	HCEPYSWBUFAIDT-MRVPVSSYSA-N	-1	0	294.263	1.431	40	5		CDBBRM
O=C1[N-]C(=O)/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)N1	ZINC000005426660	284857249	/nfs/dbraw/zinc/85/72/49/284857249.db2.gz	BNTIEQLGTBEYMO-CLTKARDFSA-N	-1	0	267.628	1.429	40	5		CDBBRM
O=C([O-])c1nn(CCC(F)(F)F)cc1[N+](=O)[O-]	ZINC000229733549	261234168	/nfs/dbraw/zinc/23/41/68/261234168.db2.gz	GNNWTQMLJDKJJN-UHFFFAOYSA-N	-1	0	253.136	1.442	40	5		CDBBRM
C[C@@]1(C(=O)[O-])CC(c2cccc([N+](=O)[O-])c2)=NO1	ZINC000071980999	176307774	/nfs/dbraw/zinc/30/77/74/176307774.db2.gz	LKAINDQBTCSWAP-NSHDSACASA-N	-1	0	250.210	1.563	40	5		CDBBRM
Cn1nc(-c2ccc([N+](=O)[O-])cc2)cc(C(=O)[O-])c1=O	ZINC000082454139	303040258	/nfs/dbraw/zinc/04/02/58/303040258.db2.gz	FKZAAQHCSYQHTB-UHFFFAOYSA-N	-1	0	275.220	1.054	40	5		CDBBRM
C[C@@]1(C(=O)[O-])CC(c2ccccc2[N+](=O)[O-])=NO1	ZINC000071980989	390543048	/nfs/dbraw/zinc/54/30/48/390543048.db2.gz	KOXPDXFFQMVVNG-NSHDSACASA-N	-1	0	250.210	1.563	40	5		CDBBRM
COc1ccc(NC(=O)CCC(=O)[O-])c([N+](=O)[O-])c1	ZINC000005320625	170085681	/nfs/dbraw/zinc/08/56/81/170085681.db2.gz	DBBWQXIPXFGNTL-UHFFFAOYSA-N	-1	0	268.225	1.407	40	5		CDBBRM
O=C([O-])c1ccc(Sc2nccc(=O)[nH]2)c([N+](=O)[O-])c1	ZINC000016384563	262024874	/nfs/dbraw/zinc/02/48/74/262024874.db2.gz	XHGIZJVQLDSDGQ-UHFFFAOYSA-N	-1	0	293.260	1.940	40	5		CDBBRM
CN1C(=O)C[C@H](C(=O)[O-])[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000057961930	363415126	/nfs/dbraw/zinc/41/51/26/363415126.db2.gz	ODKSICZNRJLSRZ-GXSJLCMTSA-N	-1	0	264.237	1.199	40	5		CDBBRM
O=C([O-])[C@H]1CC(=O)O[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000085394885	304174993	/nfs/dbraw/zinc/17/49/93/304174993.db2.gz	XKPHQFZUQWQCRO-WPRPVWTQSA-N	-1	0	251.194	1.284	40	5		CDBBRM
Cn1c(SCC(=O)[O-])nnc1-c1ccc([N+](=O)[O-])cc1	ZINC000004966558	170046613	/nfs/dbraw/zinc/04/66/13/170046613.db2.gz	BLHGPOZPVJMKLJ-UHFFFAOYSA-N	-1	0	294.292	1.567	40	5		CDBBRM
C[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000019505789	357262819	/nfs/dbraw/zinc/26/28/19/357262819.db2.gz	SKTHPROSYBVKPZ-GJIOHYHPSA-N	-1	0	264.237	1.197	40	5		CDBBRM
CC(=O)N/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000000163354	359172235	/nfs/dbraw/zinc/17/22/35/359172235.db2.gz	DJEQBISYZQQEJZ-RUDMXATFSA-N	-1	0	284.655	1.810	40	5		CDBBRM
CN1C(=O)S/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)C1=O	ZINC000016188904	367685943	/nfs/dbraw/zinc/68/59/43/367685943.db2.gz	CIQJANBBLHBHSL-UITAMQMPSA-N	-1	0	280.261	1.967	40	5		CDBBRM
O=C([O-])c1cc(N2CCOCC2)c(F)cc1[N+](=O)[O-]	ZINC000042684300	304225815	/nfs/dbraw/zinc/22/58/15/304225815.db2.gz	SHTVGSIBIUFYTN-UHFFFAOYSA-N	-1	0	270.216	1.269	40	5		CDBBRM
CC1(C)CC(=O)N(CC(=O)[O-])c2ccc([N+](=O)[O-])cc21	ZINC000072220947	390622199	/nfs/dbraw/zinc/62/21/99/390622199.db2.gz	WRUAICXENTZSDU-UHFFFAOYSA-N	-1	0	278.264	1.694	40	5		CDBBRM
CC(=O)NC1=N/C(=C\c2cc([N+](=O)[O-])ccc2[O-])CN1C	ZINC000104301216	278086581	/nfs/dbraw/zinc/08/65/81/278086581.db2.gz	OVTDIDJXXXQFFO-YHYXMXQVSA-N	-1	0	290.279	1.079	40	5		CDBBRM
Cc1nn(C[C@@H](C)C(=O)[O-])c(C(F)F)c1[N+](=O)[O-]	ZINC000408716349	230408604	/nfs/dbraw/zinc/40/86/04/230408604.db2.gz	LVFXPMFDXJXHGD-SCSAIBSYSA-N	-1	0	263.200	1.758	40	5		CDBBRM
O=C([O-])/C=C\C(=O)Nc1ccc(F)cc1[N+](=O)[O-]	ZINC000034776408	355901495	/nfs/dbraw/zinc/90/14/95/355901495.db2.gz	AWQHGXIAQPHHKH-ARJAWSKDSA-N	-1	0	254.173	1.313	40	5		CDBBRM
CCCC(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000034942290	364207147	/nfs/dbraw/zinc/20/71/47/364207147.db2.gz	AKLUFIBVEPVTIV-UHFFFAOYSA-N	-1	0	283.309	1.914	40	5		CDBBRM
CC(=C([O-])c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000096517987	390533861	/nfs/dbraw/zinc/53/38/61/390533861.db2.gz	UVTMCIJGPPJLAT-ZETCQYMHSA-N	-1	0	257.267	1.211	40	5		CDBBRM
O=C([O-])CCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1	ZINC000019473281	391142282	/nfs/dbraw/zinc/14/22/82/391142282.db2.gz	NXBDHVUCDYLYDJ-SNAWJCMRSA-N	-1	0	264.237	1.199	40	5		CDBBRM
CCS(=O)(=O)C(C)=C([O-])c1cccc([N+](=O)[O-])c1	ZINC000096518010	393188053	/nfs/dbraw/zinc/18/80/53/393188053.db2.gz	BRNWKQRKJWMXFS-MRVPVSSYSA-N	-1	0	271.294	1.601	40	5		CDBBRM
Cn1cnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000005943479	303033823	/nfs/dbraw/zinc/03/38/23/303033823.db2.gz	HIWLQROJZILIFR-UHFFFAOYSA-N	-1	0	280.265	1.573	40	5		CDBBRM
O=C([O-])c1cc([N+](=O)[O-])c(OCc2cccnc2)cc1O	ZINC000216933693	189707107	/nfs/dbraw/zinc/70/71/07/189707107.db2.gz	HHUOXRFDRGHJKU-UHFFFAOYSA-N	-1	0	290.231	1.973	40	5		CDBBRM
CCC(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000035272595	172092827	/nfs/dbraw/zinc/09/28/27/172092827.db2.gz	QFWLHNJOYPLBBJ-UHFFFAOYSA-N	-1	0	269.282	1.523	40	5		CDBBRM
O=[N+]([O-])c1cc(Br)c([O-])c([N+](=O)[O-])c1	ZINC000001657271	304798614	/nfs/dbraw/zinc/79/86/14/304798614.db2.gz	LGAQVCNAUXQEJZ-UHFFFAOYSA-N	-1	0	263.003	1.971	40	5		CDBBRM
Cc1cccnc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000000368785	359589631	/nfs/dbraw/zinc/58/96/31/359589631.db2.gz	HHVHPGOSRTYHNK-UHFFFAOYSA-N	-1	0	293.304	1.521	40	5		CDBBRM
O=C([O-])c1cn(Cc2ccc(F)cc2)nc1[N+](=O)[O-]	ZINC000408716872	360039324	/nfs/dbraw/zinc/03/93/24/360039324.db2.gz	SBWWJTSMKNLIPB-UHFFFAOYSA-N	-1	0	265.200	1.677	40	5		CDBBRM
Nc1ccc([N+](=O)[O-])c2ccc(S(=O)(=O)[O-])cc12	ZINC000004783152	378514594	/nfs/dbraw/zinc/51/45/94/378514594.db2.gz	MYQSCJGSZROJFZ-UHFFFAOYSA-N	-1	0	268.250	1.577	40	5		CDBBRM
C[C@@H](SCC(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000006267182	170187075	/nfs/dbraw/zinc/18/70/75/170187075.db2.gz	WTMQGCFEZIXYTF-SSDOTTSWSA-N	-1	0	269.278	1.984	40	5		CDBBRM
CSc1ccc(S(=O)(=O)CC(=O)[O-])c([N+](=O)[O-])c1	ZINC000004387568	356330058	/nfs/dbraw/zinc/33/00/58/356330058.db2.gz	ALBJYJMSVGPHED-UHFFFAOYSA-N	-1	0	291.306	1.175	40	5		CDBBRM
O=C([O-])CCc1nc(-c2ccc([N+](=O)[O-])cc2)no1	ZINC000000166807	359172111	/nfs/dbraw/zinc/17/21/11/359172111.db2.gz	QVBPNNMACQAWFA-UHFFFAOYSA-N	-1	0	263.209	1.662	40	5		CDBBRM
O=C([O-])C[C@H](n1cc([N+](=O)[O-])cn1)C(F)(F)F	ZINC000685936720	539098896	/nfs/dbraw/zinc/09/88/96/539098896.db2.gz	SWMDAJQFCOQARC-YFKPBYRVSA-N	-1	0	253.136	1.369	40	5		CDBBRM
Cc1ccc([N+](=O)[O-])cc1N1C[C@@H](C(=O)[O-])CC1=O	ZINC000045953521	356576026	/nfs/dbraw/zinc/57/60/26/356576026.db2.gz	YCFAKWUHDWDUND-QMMMGPOBSA-N	-1	0	264.237	1.341	40	5		CDBBRM
C[C@@H](O)[C@@H](NSc1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000005723060	170133173	/nfs/dbraw/zinc/13/31/73/170133173.db2.gz	QJMPRIHAPGGFMA-HZGVNTEJSA-N	-1	0	272.282	1.026	40	5		CDBBRM
Cc1ccnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000000347034	301464829	/nfs/dbraw/zinc/46/48/29/301464829.db2.gz	RYVNZSAQLDRNPR-UHFFFAOYSA-N	-1	0	293.304	1.521	40	5		CDBBRM