smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc([N+](=O)[O-])c(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1	ZINC000102999116	185802777	/nfs/dbraw/zinc/80/27/77/185802777.db2.gz	JXVQQJXIAAZNPX-DDHJBXDOSA-N	0	0	284.268	-0.246	50	5		CBBARN
Cc1ccc([N+](=O)[O-])cc1N[C@@H]1OC[C@H](O)[C@@H](O)[C@@H]1O	ZINC000012657755	351333728	/nfs/dbraw/zinc/33/37/28/351333728.db2.gz	FFXFFAHBRXFFAV-WHOHXGKFSA-N	0	0	284.268	-0.246	50	5		CBBARN
Cn1cc(CNC(=O)c2c([N+](=O)[O-])cnn2C)cn1	ZINC000002777808	351310538	/nfs/dbraw/zinc/31/05/38/351310538.db2.gz	SBLQRLCCKSCYHQ-UHFFFAOYSA-N	0	0	264.245	-0.008	50	5		CBBARN
CCn1cc([N+](=O)[O-])c(C(=O)Nn2cnnc2)n1	ZINC000002778097	351310731	/nfs/dbraw/zinc/31/07/31/351310731.db2.gz	OGSUOYGTWKGITB-UHFFFAOYSA-N	0	0	251.206	-0.213	50	5		CBBARN
O=C([O-])[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCO	ZINC000004280065	351317864	/nfs/dbraw/zinc/31/78/64/351317864.db2.gz	SKLBOQAAWDHXEC-SNVBAGLBSA-N	0	0	297.267	-0.042	50	5		CBBARN
COCCCNc1nc(N)c([N+](=O)[O-])c(NCCO)n1	ZINC000005163642	351322474	/nfs/dbraw/zinc/32/24/74/351322474.db2.gz	ORYWUUHIWDCKBJ-UHFFFAOYSA-N	0	0	286.292	-0.180	50	5		CBBARN
Nc1nc(N)nc(Cn2cc([N+](=O)[O-])ccc2=O)n1	ZINC000031672212	351378328	/nfs/dbraw/zinc/37/83/28/351378328.db2.gz	WISUIKSCGXSRMF-UHFFFAOYSA-N	0	0	263.217	-0.846	50	5		CBBARN
Cc1ccc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c([N+](=O)[O-])c1	ZINC000016029962	351343166	/nfs/dbraw/zinc/34/31/66/351343166.db2.gz	OKHAGBCTHFBJQD-WISYIIOYSA-N	0	0	284.268	-0.246	50	5		CBBARN
CC(=O)N1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1	ZINC000048543945	351473334	/nfs/dbraw/zinc/47/33/34/351473334.db2.gz	YKTBJEJBWNRFME-UHFFFAOYSA-N	0	0	266.261	-0.365	50	5		CBBARN
Nc1nc(NCCN2CCOCC2)ncc1[N+](=O)[O-]	ZINC000056908482	351549739	/nfs/dbraw/zinc/54/97/39/351549739.db2.gz	POJOBXSKPAGFHV-UHFFFAOYSA-N	0	0	268.277	-0.289	50	5		CBBARN
CC(C)([C@H]1C([N+](=O)[O-])=CNc2nnnn21)[N+](=O)[O-]	ZINC000136488939	351921073	/nfs/dbraw/zinc/92/10/73/351921073.db2.gz	IXXDMTGGAIMEEE-RXMQYKEDSA-N	0	0	255.194	-0.187	50	5		CBBARN
CCC[C@@H](O)[C@H](CO)NC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000424055463	354208252	/nfs/dbraw/zinc/20/82/52/354208252.db2.gz	FBJWUWKMSQNQKY-VHSXEESVSA-N	0	0	286.288	-0.571	50	5		CBBARN
Cc1cc(N2CC(NS(N)(=O)=O)C2)ccc1[N+](=O)[O-]	ZINC000585132613	355046612	/nfs/dbraw/zinc/04/66/12/355046612.db2.gz	FXGGCSKZHDYARW-UHFFFAOYSA-N	0	0	286.313	-0.115	50	5		CBBARN
O=[N+]([O-])c1cccc(N[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)c1	ZINC000001504913	169710256	/nfs/dbraw/zinc/71/02/56/169710256.db2.gz	LZYBXOWFOCKWJE-ZRUFSTJUSA-N	0	0	270.241	-0.554	50	5		CBBARN
Cc1ccc([N+](=O)[O-])cc1N[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O	ZINC000004357816	169961406	/nfs/dbraw/zinc/96/14/06/169961406.db2.gz	FFXFFAHBRXFFAV-WRWGMCAJSA-N	0	0	284.268	-0.246	50	5		CBBARN
Nc1nc(NC[C@H]2CCCO2)nc(NCCO)c1[N+](=O)[O-]	ZINC000005025573	170057176	/nfs/dbraw/zinc/05/71/76/170057176.db2.gz	CKGBPZCRJULSOR-SSDOTTSWSA-N	0	0	298.303	-0.038	50	5		CBBARN
Cc1c([N+](=O)[O-])c([N+](=O)[O-])nn1CC(=O)N1CCOCC1	ZINC000008444995	170336588	/nfs/dbraw/zinc/33/65/88/170336588.db2.gz	FBECGLOQAVXFRZ-UHFFFAOYSA-N	0	0	299.243	-0.133	50	5		CBBARN
C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-]	ZINC000049090938	419448914	/nfs/dbraw/zinc/44/89/14/419448914.db2.gz	KJNJSRXSYXDJDO-XAVMHZPKSA-N	0	0	255.274	-0.236	50	5		CBBARN
Cn1c2nc3cc(N)ccc3nc2c(=O)n(C)c1=O	ZINC000000517660	294192762	/nfs/dbraw/zinc/19/27/62/294192762.db2.gz	QBLHBGSNDGMZKF-UHFFFAOYSA-N	0	0	257.253	-0.237	50	5		CBBARN
NC(=O)c1ccc(N2CCNC(=O)C2)c([N+](=O)[O-])c1	ZINC000005687561	295181894	/nfs/dbraw/zinc/18/18/94/295181894.db2.gz	WQQDAIFKBJIZHZ-UHFFFAOYSA-N	0	0	264.241	-0.370	50	5		CBBARN
Cc1ccc(N[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)cc1[N+](=O)[O-]	ZINC000012656250	351333941	/nfs/dbraw/zinc/33/39/41/351333941.db2.gz	ILLLCBDIMXOWNN-WHOHXGKFSA-N	0	0	284.268	-0.246	50	5		CBBARN
O=[N+]([O-])c1ncn(CCn2cnc([N+](=O)[O-])n2)n1	ZINC000001818742	351306714	/nfs/dbraw/zinc/30/67/14/351306714.db2.gz	FSOFMQZZUJEGPY-UHFFFAOYSA-N	0	0	254.166	-0.614	50	5		CBBARN
O=[N+]([O-])C([C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1	ZINC000003197143	351313277	/nfs/dbraw/zinc/31/32/77/351313277.db2.gz	MTYKSDFJLYJRDR-YUMQZZPRSA-N	0	0	297.354	-0.499	50	5		CBBARN
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCOCC1	ZINC000003455405	351314018	/nfs/dbraw/zinc/31/40/18/351314018.db2.gz	HQNZXSKAMBSQCH-UHFFFAOYSA-N	0	0	267.241	-0.385	50	5		CBBARN
O=C([O-])[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCO	ZINC000004280064	351317872	/nfs/dbraw/zinc/31/78/72/351317872.db2.gz	SKLBOQAAWDHXEC-JTQLQIEISA-N	0	0	297.267	-0.042	50	5		CBBARN
O=[N+]([O-])c1ccc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1	ZINC000013425153	351336190	/nfs/dbraw/zinc/33/61/90/351336190.db2.gz	QJZGERHAPGWLSY-CHWFTXMASA-N	0	0	270.241	-0.554	50	5		CBBARN
Cc1cc([N+](=O)[O-])ccc1N[C@@H]1OC[C@H](O)[C@@H](O)[C@@H]1O	ZINC000013603351	351338219	/nfs/dbraw/zinc/33/82/19/351338219.db2.gz	KNHGFOSGFLWCOZ-WHOHXGKFSA-N	0	0	284.268	-0.246	50	5		CBBARN
O=C(Nc1ccccc1[N+](=O)[O-])[C@@H]1CC(=O)NN1	ZINC000075283074	351666532	/nfs/dbraw/zinc/66/65/32/351666532.db2.gz	OXOTULLWUQQXMA-ZETCQYMHSA-N	0	0	250.214	-0.074	50	5		CBBARN
CC(=O)N(Cl)CCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]	ZINC000101200936	351781998	/nfs/dbraw/zinc/78/19/98/351781998.db2.gz	WYDSGNKSMAHLEM-UHFFFAOYSA-N	0	0	270.585	-0.137	50	5		CBBARN
O=[N+]([O-])c1cccc(N[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c1	ZINC000239174154	352315555	/nfs/dbraw/zinc/31/55/55/352315555.db2.gz	PJTVTWRIKMCPKR-VPOLOUISSA-N	0	0	270.241	-0.554	50	5		CBBARN
C[C@@H]1O[C@H](Oc2ccccc2[N+](=O)[O-])[C@H](O)[C@H](O)[C@H]1O	ZINC000252012389	352376371	/nfs/dbraw/zinc/37/63/71/352376371.db2.gz	SWRPIVXPHLYETN-CZDOKNLBSA-N	0	0	285.252	-0.199	50	5		CBBARN
C[C@@H]1CN(CCO)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000424057825	354208291	/nfs/dbraw/zinc/20/82/91/354208291.db2.gz	KCYHNEBQGDJSCZ-SNVBAGLBSA-N	0	0	297.315	-0.684	50	5		CBBARN
CNc1nc(N2CCN(C)CC2)nc(N)c1[N+](=O)[O-]	ZINC000004123426	372753489	/nfs/dbraw/zinc/75/34/89/372753489.db2.gz	PKHLXUFAZRWDCB-UHFFFAOYSA-N	0	0	267.293	-0.240	50	5		CBBARN
Cc1cc([N+](=O)[O-])ccc1N[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O	ZINC000247992897	189943821	/nfs/dbraw/zinc/94/38/21/189943821.db2.gz	NOKJZZUEVOXWAS-WRWGMCAJSA-N	0	0	284.268	-0.246	50	5		CBBARN
C[C@@H]1O[C@H](Oc2ccccc2[N+](=O)[O-])[C@H](O)[C@H](O)[C@@H]1O	ZINC000252012391	189972698	/nfs/dbraw/zinc/97/26/98/189972698.db2.gz	SWRPIVXPHLYETN-FBRIDRNKSA-N	0	0	285.252	-0.199	50	5		CBBARN
Cn1cc([N+](=O)[O-])c(C(=O)Nc2cnn(C)c2C(N)=O)n1	ZINC000002770817	169827953	/nfs/dbraw/zinc/82/79/53/169827953.db2.gz	PFXODGIFVFIUME-UHFFFAOYSA-N	0	0	293.243	-0.587	50	5		CBBARN
Nc1nc(NCCO)nc(N2CCCC2)c1[N+](=O)[O-]	ZINC000005050667	170061490	/nfs/dbraw/zinc/06/14/90/170061490.db2.gz	FRXAZSOTCUORLL-UHFFFAOYSA-N	0	0	268.277	-0.029	50	5		CBBARN
CN(CCO)C1=NS(=O)(=O)c2cc([N+](=O)[O-])ccc21	ZINC000005074190	170064352	/nfs/dbraw/zinc/06/43/52/170064352.db2.gz	XRWFRKKQDYUGIY-UHFFFAOYSA-N	0	0	285.281	-0.032	50	5		CBBARN
O=[N+]([O-])c1ccccc1N[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	ZINC000005740965	170135935	/nfs/dbraw/zinc/13/59/35/170135935.db2.gz	AVYBYOVKUDKGEY-CHWFTXMASA-N	0	0	270.241	-0.554	50	5		CBBARN
CS(=O)(=O)c1ccc(NC(=O)CO)c([N+](=O)[O-])c1	ZINC000006935662	170256630	/nfs/dbraw/zinc/25/66/30/170256630.db2.gz	ZWUKYSBTNHSJFC-UHFFFAOYSA-N	0	0	274.254	-0.071	50	5		CBBARN
COC(=O)CCC(CN1CCOCC1)([N+](=O)[O-])[N+](=O)[O-]	ZINC000022342459	171385636	/nfs/dbraw/zinc/38/56/36/171385636.db2.gz	ILHDLNCQSLRVNA-UHFFFAOYSA-N	0	0	291.260	-0.479	50	5		CBBARN
CN(C)c1nc(N)nc(Cn2cc([N+](=O)[O-])ccc2=O)n1	ZINC000023104693	171412494	/nfs/dbraw/zinc/41/24/94/171412494.db2.gz	VRJDTJWRAYTZQL-UHFFFAOYSA-N	0	0	291.271	-0.362	50	5		CBBARN
O=[N+]([O-])c1ccc(N[C@@H]2O[C@H](CO)C[C@H](O)[C@@H]2O)cc1	ZINC000101816614	656064716	/nfs/dbraw/zinc/06/47/16/656064716.db2.gz	DURMOUDVBDXBKP-FIQHERPVSA-N	0	0	284.268	-0.164	50	5		CBBARN
Cc1ccc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1[N+](=O)[O-]	ZINC000103216623	656064856	/nfs/dbraw/zinc/06/48/56/656064856.db2.gz	BVNURZFNVCUFJC-DDHJBXDOSA-N	0	0	284.268	-0.246	50	5		CBBARN
CN(C)c1nc(N)nc(Cn2cnc([N+](=O)[O-])n2)n1	ZINC000002218400	351307683	/nfs/dbraw/zinc/30/76/83/351307683.db2.gz	FMFCSSMGVLOPQV-UHFFFAOYSA-N	0	0	265.237	-0.932	50	5		CBBARN
O=[N+]([O-])c1ccc(O[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)cc1	ZINC000002539730	351309343	/nfs/dbraw/zinc/30/93/43/351309343.db2.gz	MLJYKRYCCUGBBV-VLEAKVRGSA-N	0	0	271.225	-0.587	50	5		CBBARN
Cc1cc([N+](=O)[O-])ccc1N[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000003999215	351315025	/nfs/dbraw/zinc/31/50/25/351315025.db2.gz	NOKJZZUEVOXWAS-DDHJBXDOSA-N	0	0	284.268	-0.246	50	5		CBBARN
Cc1ccc([N+](=O)[O-])cc1N[C@@H]1OC[C@@H](O)[C@H](O)[C@@H]1O	ZINC000004420512	351319516	/nfs/dbraw/zinc/31/95/16/351319516.db2.gz	FFXFFAHBRXFFAV-NOOOWODRSA-N	0	0	284.268	-0.246	50	5		CBBARN
O=[N+]([O-])c1ccc(N[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)cc1	ZINC000013302207	351336307	/nfs/dbraw/zinc/33/63/07/351336307.db2.gz	VNKDLWYBNIBMEY-ZRUFSTJUSA-N	0	0	270.241	-0.554	50	5		CBBARN
Nc1nc(N[C@@H]2CCCN(CCO)C2=O)ncc1[N+](=O)[O-]	ZINC000097162972	351776434	/nfs/dbraw/zinc/77/64/34/351776434.db2.gz	CVCFZQTYPZPOPA-SSDOTTSWSA-N	0	0	296.287	-0.638	50	5		CBBARN
COc1ccc(C(NC(N)=O)NC(N)=O)cc1[N+](=O)[O-]	ZINC000098086389	351780311	/nfs/dbraw/zinc/78/03/11/351780311.db2.gz	OXSYHLQAQOJYCF-UHFFFAOYSA-N	0	0	283.244	-0.061	50	5		CBBARN
C[C@@H]1O[C@H](Oc2ccccc2[N+](=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O	ZINC000106384575	351794307	/nfs/dbraw/zinc/79/43/07/351794307.db2.gz	SWRPIVXPHLYETN-MWAPLWLCSA-N	0	0	285.252	-0.199	50	5		CBBARN
C[C@@H]1O[C@H](Nc2ccccc2[N+](=O)[O-])[C@H](O)[C@H](O)[C@H]1O	ZINC000245380181	352318346	/nfs/dbraw/zinc/31/83/46/352318346.db2.gz	SNDWCHJOMVSETA-UOAXWKJLSA-N	0	0	284.268	-0.166	50	5		CBBARN
O=[N+]([O-])c1cccc(N[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)c1	ZINC000247905056	352349124	/nfs/dbraw/zinc/34/91/24/352349124.db2.gz	LZYBXOWFOCKWJE-XWLWVQCSSA-N	0	0	270.241	-0.554	50	5		CBBARN
CCC[C@H](O)[C@@H](CO)NC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000424055465	207958164	/nfs/dbraw/zinc/95/81/64/207958164.db2.gz	FBJWUWKMSQNQKY-ZJUUUORDSA-N	0	0	286.288	-0.571	50	5		CBBARN
O=[N+]([O-])c1ccc2c(c1)-n1nnnc1-c1nnnn1-2	ZINC000020177175	285142133	/nfs/dbraw/zinc/14/21/33/285142133.db2.gz	SAOCEXWYUMJNKN-UHFFFAOYSA-N	0	0	257.173	-0.473	50	5		CBBARN
C[C@@H]1O[C@H](Oc2ccc([N+](=O)[O-])cc2)[C@H](O)[C@H](O)[C@@H]1O	ZINC000242723244	131080942	/nfs/dbraw/zinc/08/09/42/131080942.db2.gz	YILIDCGSXCGACV-FBRIDRNKSA-N	0	0	285.252	-0.199	50	5		CBBARN
O=[N+]([O-])c1cccc2c1nnn2[C@@H](CO)OCCO	ZINC000002472779	169793943	/nfs/dbraw/zinc/79/39/43/169793943.db2.gz	BKAOAKGMRCOOOR-SECBINFHSA-N	0	0	268.229	-0.161	50	5		CBBARN
O=C1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC(=O)N1	ZINC000004785460	170017057	/nfs/dbraw/zinc/01/70/57/170017057.db2.gz	ONUSBDCRYMAVQD-UHFFFAOYSA-N	0	0	299.264	-0.758	50	5		CBBARN
NC(=O)C1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1	ZINC000006668603	170224707	/nfs/dbraw/zinc/22/47/07/170224707.db2.gz	RLBYFBDCDKUNLI-UHFFFAOYSA-N	0	0	281.272	-0.485	50	5		CBBARN
Cn1cc([N+](=O)[O-])c(C(=O)Nn2cc([N+](=O)[O-])cn2)n1	ZINC000008455214	170336952	/nfs/dbraw/zinc/33/69/52/170336952.db2.gz	APNJUVIPFFVDDF-UHFFFAOYSA-N	0	0	281.188	-0.183	50	5		CBBARN
O=[N+]([O-])c1nonc1COc1nonc1[N+](=O)[O-]	ZINC000009969697	170392471	/nfs/dbraw/zinc/39/24/71/170392471.db2.gz	WOXCRMFIBXEIBS-UHFFFAOYSA-N	0	0	258.106	-0.152	50	5		CBBARN
Cc1cc([N+](=O)[O-])nn1CC(=O)N1CCN(C)CC1	ZINC000019288306	170773040	/nfs/dbraw/zinc/77/30/40/170773040.db2.gz	KGYKROQBDDMTOB-UHFFFAOYSA-N	0	0	267.289	-0.126	50	5		CBBARN
CN1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000020220106	171082470	/nfs/dbraw/zinc/08/24/70/171082470.db2.gz	LRXUTGAYOKMMOI-UHFFFAOYSA-N	0	0	253.262	-0.435	50	5		CBBARN
C[C@]1(NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])CCS(=O)(=O)C1	ZINC000044311571	175162652	/nfs/dbraw/zinc/16/26/52/175162652.db2.gz	MECJKCMYUJIVKM-ZKWXMUAHSA-N	0	0	262.287	-0.655	50	5		CBBARN
O=C(Cn1cc([N+](=O)[O-])cn1)NCCNc1ncccn1	ZINC000047104865	419440902	/nfs/dbraw/zinc/44/09/02/419440902.db2.gz	HUCGBQDKZDINJJ-UHFFFAOYSA-N	0	0	291.271	-0.190	50	5		CBBARN
Nc1c([N+](=O)[O-])nn(-c2ccc3c(c2)OCCO3)[n+]1[O-]	ZINC000004922477	279695440	/nfs/dbraw/zinc/69/54/40/279695440.db2.gz	FCMHGGBFQASYDN-UHFFFAOYSA-N	0	0	279.212	-0.233	50	5		CBBARN
CC1(O)CN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1	ZINC000170088068	567005694	/nfs/dbraw/zinc/00/56/94/567005694.db2.gz	YWTRWWGFILWVDJ-UHFFFAOYSA-N	0	0	287.297	-0.187	50	5		CBBARN
Cn1c(=O)/c(=C\c2ccccc2O)s/c1=C/[N+](=O)[O-]	ZINC000005218968	282554642	/nfs/dbraw/zinc/55/46/42/282554642.db2.gz	GIAWRUKNFDVGCC-JMQWPVDRSA-N	0	0	278.289	-0.004	50	5		CBBARN
CN(C)c1nc(N)nc(Cn2nccc2[N+](=O)[O-])n1	ZINC000089326868	179770132	/nfs/dbraw/zinc/77/01/32/179770132.db2.gz	VEIZKSBYIZGADK-UHFFFAOYSA-N	0	0	264.249	-0.327	50	5		CBBARN
C[C@]1(NC(=O)[C@H]2C[C@H]2[N+](=O)[O-])CCS(=O)(=O)C1	ZINC000106096399	186101635	/nfs/dbraw/zinc/10/16/35/186101635.db2.gz	MECJKCMYUJIVKM-OOZYFLPDSA-N	0	0	262.287	-0.655	50	5		CBBARN
Cn1c(N)c([C@H](C[N+](=O)[O-])c2ccco2)c(=O)n(C)c1=O	ZINC000000101905	351297665	/nfs/dbraw/zinc/29/76/65/351297665.db2.gz	KKFXXKFDUWNUSV-SSDOTTSWSA-N	0	0	294.267	-0.332	50	5		CBBARN
Cn1nccc1CNC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000000374765	351300255	/nfs/dbraw/zinc/30/02/55/351300255.db2.gz	ISZBDFFQRUDWAH-UHFFFAOYSA-N	0	0	264.245	-0.159	50	5		CBBARN
O=[N+]([O-])c1ccc(O[C@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1	ZINC000001587984	351303578	/nfs/dbraw/zinc/30/35/78/351303578.db2.gz	MLJYKRYCCUGBBV-LMLFDSFASA-N	0	0	271.225	-0.587	50	5	in-vitro	CBBARN
O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H]1CCCO1	ZINC000001516061	351303642	/nfs/dbraw/zinc/30/36/42/351303642.db2.gz	LDTGMVGOKBJMIK-SSDOTTSWSA-N	0	0	255.234	-0.519	50	5		CBBARN
CC[C@H](C)NC(=O)Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O	ZINC000012779325	351335410	/nfs/dbraw/zinc/33/54/10/351335410.db2.gz	LWTYRTVNVOVHFK-ZETCQYMHSA-N	0	0	296.283	-0.230	50	5		CBBARN
Cn1nccc1CNC(=O)c1c([N+](=O)[O-])cnn1C	ZINC000002778768	351310095	/nfs/dbraw/zinc/31/00/95/351310095.db2.gz	HFXJQXUBMQGZRE-UHFFFAOYSA-N	0	0	264.245	-0.008	50	5		CBBARN
CNc1nc(N)c([N+](=O)[O-])c(N2CCOCC2)n1	ZINC000005164936	351322858	/nfs/dbraw/zinc/32/28/58/351322858.db2.gz	PSABSFXROPHMRL-UHFFFAOYSA-N	0	0	254.250	-0.155	50	5		CBBARN
O=C1C[C@@]2([N+](=O)[O-])CN(CCO)C[C@@]([N+](=O)[O-])(C1)C2	ZINC000012362886	351332944	/nfs/dbraw/zinc/33/29/44/351332944.db2.gz	FGWJITIVZOXOSF-AOOOYVTPSA-N	0	0	273.245	-0.922	50	5		CBBARN
C[C@@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2)[C@H](O)[C@H](O)[C@H]1O	ZINC000015206213	351340566	/nfs/dbraw/zinc/34/05/66/351340566.db2.gz	YILIDCGSXCGACV-UOAXWKJLSA-N	0	0	285.252	-0.199	50	5		CBBARN
Nc1nonc1C(=O)NCCNc1ccc([N+](=O)[O-])cn1	ZINC000019874720	351351729	/nfs/dbraw/zinc/35/17/29/351351729.db2.gz	QEFAXSKLDOMMGY-UHFFFAOYSA-N	0	0	293.243	-0.203	50	5		CBBARN
Cn1cc([N+](=O)[O-])c(C(=O)N2CCN(C)CC2)n1	ZINC000055008611	351539469	/nfs/dbraw/zinc/53/94/69/351539469.db2.gz	MBGDZIQCIVPKSY-UHFFFAOYSA-N	0	0	253.262	-0.284	50	5		CBBARN
C[C@@H]1O[C@@H](Oc2ccccc2[N+](=O)[O-])[C@@H](O)[C@H](O)[C@@H]1O	ZINC000095495911	351772171	/nfs/dbraw/zinc/77/21/71/351772171.db2.gz	SWRPIVXPHLYETN-SQKFTNEHSA-N	0	0	285.252	-0.199	50	5		CBBARN
O=[N+]([O-])c1ccc(N[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1	ZINC000245380074	352318367	/nfs/dbraw/zinc/31/83/67/352318367.db2.gz	QJZGERHAPGWLSY-LMLFDSFASA-N	0	0	270.241	-0.554	50	5		CBBARN
Cc1ccc([N+](=O)[O-])c(N[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c1	ZINC000245238319	189916500	/nfs/dbraw/zinc/91/65/00/189916500.db2.gz	JXVQQJXIAAZNPX-WRWGMCAJSA-N	0	0	284.268	-0.246	50	5		CBBARN
O=[N+]([O-])c1ccc(NC(CO)(CO)CO)c([N+](=O)[O-])c1	ZINC000004043675	184529903	/nfs/dbraw/zinc/52/99/03/184529903.db2.gz	HJZRUEKYRVURRV-UHFFFAOYSA-N	0	0	287.228	-0.369	50	5		CBBARN
COCCNc1nc(N)c([N+](=O)[O-])c(NCCO)n1	ZINC000005120174	170068119	/nfs/dbraw/zinc/06/81/19/170068119.db2.gz	DVXFPUBVBSAQEM-UHFFFAOYSA-N	0	0	272.265	-0.571	50	5		CBBARN
CNC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1NCCO	ZINC000006465319	170203523	/nfs/dbraw/zinc/20/35/23/170203523.db2.gz	MGVPIEJSVPTZMY-UHFFFAOYSA-N	0	0	297.267	-0.098	50	5		CBBARN
C[C@]1(NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])CCS(=O)(=O)C1	ZINC000044311569	175162631	/nfs/dbraw/zinc/16/26/31/175162631.db2.gz	MECJKCMYUJIVKM-FJXKBIBVSA-N	0	0	262.287	-0.655	50	5		CBBARN
CN1C[C@@]2([N+](=O)[O-])C=C(C(N)=O)C[C@@]([N+](=O)[O-])(C1)C2	ZINC000033688710	290296800	/nfs/dbraw/zinc/29/68/00/290296800.db2.gz	DPGIQLJYKGILLJ-ZJUUUORDSA-N	0	0	270.245	-0.832	50	5		CBBARN
Cn1c(=O)c2c(nc3ccccc3[n+]2[O-])n(C)c1=O	ZINC000000518002	294138281	/nfs/dbraw/zinc/13/82/81/294138281.db2.gz	MVKNYUICWFRHJT-UHFFFAOYSA-N	0	0	258.237	-0.581	50	5		CBBARN
CCOC[C@H](O)Cn1nc([N+](=O)[O-])nc1[N+](=O)[O-]	ZINC000016513516	655996364	/nfs/dbraw/zinc/99/63/64/655996364.db2.gz	DAXQCMQJGDZIMZ-RXMQYKEDSA-N	0	0	261.194	-0.508	50	5		CBBARN
Cc1ccc(N[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)cc1[N+](=O)[O-]	ZINC000245294898	656118002	/nfs/dbraw/zinc/11/80/02/656118002.db2.gz	BVNURZFNVCUFJC-NOOOWODRSA-N	0	0	284.268	-0.246	50	5		CBBARN
Cn1c(N)c([C@@H](C[N+](=O)[O-])c2ccco2)c(=O)n(C)c1=O	ZINC000000101902	351298517	/nfs/dbraw/zinc/29/85/17/351298517.db2.gz	KKFXXKFDUWNUSV-ZETCQYMHSA-N	0	0	294.267	-0.332	50	5		CBBARN
O=C1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC(=O)N1	ZINC000000296887	351300451	/nfs/dbraw/zinc/30/04/51/351300451.db2.gz	BHDOLEBLEAOGFE-UHFFFAOYSA-N	0	0	299.264	-0.758	50	5		CBBARN
C[N+](C)(C)CCO[P@@](=O)([O-])OC[C@H](O)CO	ZINC000001532714	351304171	/nfs/dbraw/zinc/30/41/71/351304171.db2.gz	SUHOQUVVVLNYQR-MRVPVSSYSA-O	0	0	258.231	-0.821	50	5	investigational,metabolite	CBBARN
Cc1ccc([N+](=O)[O-])c(N[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c1	ZINC000013140191	351335116	/nfs/dbraw/zinc/33/51/16/351335116.db2.gz	JXVQQJXIAAZNPX-WISYIIOYSA-N	0	0	284.268	-0.246	50	5		CBBARN
CC[C@@H](C)NC(=O)Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O	ZINC000012779320	351335135	/nfs/dbraw/zinc/33/51/35/351335135.db2.gz	LWTYRTVNVOVHFK-SSDOTTSWSA-N	0	0	296.283	-0.230	50	5		CBBARN
CC(C)(CS(=O)(=O)[O-])NC(=O)CC[N+](C)(C)CCO	ZINC000002361757	351307790	/nfs/dbraw/zinc/30/77/90/351307790.db2.gz	LUUUARBSUWGBDK-UHFFFAOYSA-O	0	0	297.397	-0.772	50	5		CBBARN
Cn1ncc(NC(=O)c2c([N+](=O)[O-])cnn2C)c1C(N)=O	ZINC000002771026	351309867	/nfs/dbraw/zinc/30/98/67/351309867.db2.gz	BDZZATOMBJGKTD-UHFFFAOYSA-N	0	0	293.243	-0.587	50	5		CBBARN
Cc1ccc([N+](=O)[O-])cc1N[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000003897842	351315409	/nfs/dbraw/zinc/31/54/09/351315409.db2.gz	FFXFFAHBRXFFAV-WISYIIOYSA-N	0	0	284.268	-0.246	50	5		CBBARN
Cc1nc(N2CCOCC2)nc(NCCO)c1[N+](=O)[O-]	ZINC000004310820	351318014	/nfs/dbraw/zinc/31/80/14/351318014.db2.gz	WMWJVDKNDBQQLC-UHFFFAOYSA-N	0	0	283.288	-0.066	50	5		CBBARN
O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1	ZINC000013550855	351338205	/nfs/dbraw/zinc/33/82/05/351338205.db2.gz	DUYYBTBDYZXISX-GWOFURMSSA-N	0	0	271.225	-0.587	50	5		CBBARN
Cc1ccc([N+](=O)[O-])cc1N[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	ZINC000043769275	351442703	/nfs/dbraw/zinc/44/27/03/351442703.db2.gz	FFXFFAHBRXFFAV-NNYUYHANSA-N	0	0	284.268	-0.246	50	5		CBBARN
O=[N+]([O-])c1ccc(N[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)cc1	ZINC000101098283	351782253	/nfs/dbraw/zinc/78/22/53/351782253.db2.gz	VNKDLWYBNIBMEY-XWLWVQCSSA-N	0	0	270.241	-0.554	50	5		CBBARN
O=[N+]([O-])c1ccccc1N[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O	ZINC000239274900	352315261	/nfs/dbraw/zinc/31/52/61/352315261.db2.gz	AVYBYOVKUDKGEY-LMLFDSFASA-N	0	0	270.241	-0.554	50	5		CBBARN
CCC[C@H](O)[C@H](CO)NC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000424055460	354208156	/nfs/dbraw/zinc/20/81/56/354208156.db2.gz	FBJWUWKMSQNQKY-UWVGGRQHSA-N	0	0	286.288	-0.571	50	5		CBBARN
C[C@H]1CN(CCO)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000424057818	354208312	/nfs/dbraw/zinc/20/83/12/354208312.db2.gz	KCYHNEBQGDJSCZ-JTQLQIEISA-N	0	0	297.315	-0.684	50	5		CBBARN
CN1c2ccccc2C2(OCC(CO)([N+](=O)[O-])CO2)C1=O	ZINC000000088182	372753465	/nfs/dbraw/zinc/75/34/65/372753465.db2.gz	FTDHIAMPZIODPX-UHFFFAOYSA-N	0	0	294.263	-0.130	50	5		CBBARN
C[C@@H]1O[C@H](Oc2ccc([N+](=O)[O-])cc2)[C@H](O)[C@@H](O)[C@H]1O	ZINC000242723245	131080800	/nfs/dbraw/zinc/08/08/00/131080800.db2.gz	YILIDCGSXCGACV-ZXEZZVQBSA-N	0	0	285.252	-0.199	50	5		CBBARN
NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC(C(N)=O)CC1	ZINC000040504974	134863119	/nfs/dbraw/zinc/86/31/19/134863119.db2.gz	VBOUKVMQPNZDJI-UHFFFAOYSA-N	0	0	293.283	-0.210	50	5		CBBARN
COC(=O)c1ccn(Cn2cnc([N+](=O)[O-])n2)n1	ZINC000002536965	169804745	/nfs/dbraw/zinc/80/47/45/169804745.db2.gz	GLKSPJCMKJXCRX-UHFFFAOYSA-N	0	0	252.190	-0.325	50	5		CBBARN
COc1ccc(-n2nc([N+](=O)[O-])c(NCCO)[n+]2[O-])cc1	ZINC000004824037	170023638	/nfs/dbraw/zinc/02/36/38/170023638.db2.gz	ZUPHIEHOQWANHV-UHFFFAOYSA-N	0	0	295.255	-0.173	50	5		CBBARN
Nc1nc(NC[C@@H]2CCCO2)nc(NCCO)c1[N+](=O)[O-]	ZINC000005025574	170057921	/nfs/dbraw/zinc/05/79/21/170057921.db2.gz	CKGBPZCRJULSOR-ZETCQYMHSA-N	0	0	298.303	-0.038	50	5		CBBARN
COC(=O)CCCNC(=O)Cn1cnc([N+](=O)[O-])c1	ZINC000012777145	170509752	/nfs/dbraw/zinc/50/97/52/170509752.db2.gz	HNNACPXHXKUQHL-UHFFFAOYSA-N	0	0	270.245	-0.139	50	5		CBBARN
C[C@@H]1O[C@@H](OCc2ccc([N+](=O)[O-])cc2)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000025726859	171464620	/nfs/dbraw/zinc/46/46/20/171464620.db2.gz	DCCILTHSDFBSCK-RCGNDRPLSA-N	0	0	299.279	-0.061	50	5		CBBARN
CN(C)/C=C/c1c([N+](=O)[O-])c(=O)n(C)c(=O)n1C	ZINC000049984615	419454517	/nfs/dbraw/zinc/45/45/17/419454517.db2.gz	RWXJJNUDUCETTI-AATRIKPKSA-N	0	0	254.246	-0.476	50	5		CBBARN
NC(=O)C1CCN(c2ncnc(N)c2[N+](=O)[O-])CC1	ZINC000003912657	295036216	/nfs/dbraw/zinc/03/62/16/295036216.db2.gz	DRMLOTOEYONGGM-UHFFFAOYSA-N	0	0	266.261	-0.331	50	5		CBBARN
Cc1ccc(N[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)c([N+](=O)[O-])c1	ZINC000016667151	655996911	/nfs/dbraw/zinc/99/69/11/655996911.db2.gz	ZEZYHXJBMLCEDJ-WHOHXGKFSA-N	0	0	284.268	-0.246	50	5		CBBARN
CN(CCO)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000006871590	529920878	/nfs/dbraw/zinc/92/08/78/529920878.db2.gz	XEOUJSAIOYPLTF-UHFFFAOYSA-N	0	0	275.286	-0.329	50	5		CBBARN
C[C@]1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCS(=O)(=O)C1	ZINC000106096396	186101489	/nfs/dbraw/zinc/10/14/89/186101489.db2.gz	MECJKCMYUJIVKM-BHNWBGBOSA-N	0	0	262.287	-0.655	50	5		CBBARN
Cn1c(=O)n(-c2ccc([N+](=O)[O-])cc2)c(=O)n1C	ZINC000000111876	351299525	/nfs/dbraw/zinc/29/95/25/351299525.db2.gz	UZSFDHCVDQTTID-UHFFFAOYSA-N	0	0	250.214	-0.217	50	5		CBBARN
O=[N+]([O-])c1ccc(S(=O)(=O)N(CCO)CCO)cc1	ZINC000000283386	351300181	/nfs/dbraw/zinc/30/01/81/351300181.db2.gz	QLZDDZOWDLQNJY-UHFFFAOYSA-N	0	0	290.297	-0.430	50	5		CBBARN
C[C@@H](C(=O)Nn1cnnc1)n1cc([N+](=O)[O-])cn1	ZINC000001432299	351302236	/nfs/dbraw/zinc/30/22/36/351302236.db2.gz	QXXZZANWINYTIQ-LURJTMIESA-N	0	0	251.206	-0.286	50	5		CBBARN
C[C@H](C(=O)Nn1cnnc1)n1cc([N+](=O)[O-])cn1	ZINC000001432300	351303080	/nfs/dbraw/zinc/30/30/80/351303080.db2.gz	QXXZZANWINYTIQ-ZCFIWIBFSA-N	0	0	251.206	-0.286	50	5		CBBARN
Cn1cc([N+](=O)[O-])c(C(=O)NCc2ccnn2C)n1	ZINC000002739538	351310744	/nfs/dbraw/zinc/31/07/44/351310744.db2.gz	MWXXMNMXSJVGPE-UHFFFAOYSA-N	0	0	264.245	-0.008	50	5		CBBARN
O=[N+]([O-])c1cccc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1	ZINC000003999313	351315170	/nfs/dbraw/zinc/31/51/70/351315170.db2.gz	PJTVTWRIKMCPKR-GWOFURMSSA-N	0	0	270.241	-0.554	50	5		CBBARN
O=[N+]([O-])c1ccc(N[C@H]2OC[C@H](O)[C@H](O)[C@H]2O)cc1	ZINC000003999013	351315486	/nfs/dbraw/zinc/31/54/86/351315486.db2.gz	VNKDLWYBNIBMEY-MMWGEVLESA-N	0	0	270.241	-0.554	50	5		CBBARN
O=[N+]([O-])c1cccc(N[C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1	ZINC000003999312	351315603	/nfs/dbraw/zinc/31/56/03/351315603.db2.gz	PJTVTWRIKMCPKR-DBIOUOCHSA-N	0	0	270.241	-0.554	50	5		CBBARN
O=[N+]([O-])c1cc(N(CCO)CCO)ccc1NCCO	ZINC000004521994	351319165	/nfs/dbraw/zinc/31/91/65/351319165.db2.gz	MIWUTEVJIISHCP-UHFFFAOYSA-N	0	0	285.300	-0.210	50	5	in-vitro	CBBARN
Nc1nnnn1CC(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000004491441	351319411	/nfs/dbraw/zinc/31/94/11/351319411.db2.gz	PJKRSFZZRFVRFO-UHFFFAOYSA-N	0	0	263.217	-0.198	50	5		CBBARN
Nc1nnnn1CC(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000004565086	351320989	/nfs/dbraw/zinc/32/09/89/351320989.db2.gz	WXIHAMMLFBJKON-UHFFFAOYSA-N	0	0	263.217	-0.198	50	5		CBBARN
Cc1nc(N2CCOCC2)nc(N(C)CCO)c1[N+](=O)[O-]	ZINC000004812674	351322528	/nfs/dbraw/zinc/32/25/28/351322528.db2.gz	OFFOIRLWYUOMTM-UHFFFAOYSA-N	0	0	297.315	-0.042	50	5		CBBARN
O=C(Nc1ccccc1[N+](=O)[O-])[C@H]1CC(=O)NN1	ZINC000075283075	351666800	/nfs/dbraw/zinc/66/68/00/351666800.db2.gz	OXOTULLWUQQXMA-SSDOTTSWSA-N	0	0	250.214	-0.074	50	5		CBBARN
O=[N+]([O-])c1ccc(N[C@@H]2OC[C@H](O)[C@@H](O)[C@H]2O)cc1	ZINC000239425953	352315576	/nfs/dbraw/zinc/31/55/76/352315576.db2.gz	VNKDLWYBNIBMEY-LNFKQOIKSA-N	0	0	270.241	-0.554	50	5		CBBARN
C[C@@H]1O[C@H](Nc2ccccc2[N+](=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O	ZINC000245380179	352318216	/nfs/dbraw/zinc/31/82/16/352318216.db2.gz	SNDWCHJOMVSETA-CAXGQTPXSA-N	0	0	284.268	-0.166	50	5		CBBARN
COCCN1CN(c2c([N+](=O)[O-])c(C)nn2C)CC1=O	ZINC000240886221	189902998	/nfs/dbraw/zinc/90/29/98/189902998.db2.gz	INWBXECIMIMBIW-UHFFFAOYSA-N	0	0	283.288	-0.111	50	5		CBBARN
Nc1ncnc(N[C@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-]	ZINC000003912727	169924731	/nfs/dbraw/zinc/92/47/31/169924731.db2.gz	UTLVLTDCBRBJEC-YFKPBYRVSA-N	0	0	273.274	-0.434	50	5		CBBARN
Cc1ccc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1[N+](=O)[O-]	ZINC000005798930	170141731	/nfs/dbraw/zinc/14/17/31/170141731.db2.gz	BVNURZFNVCUFJC-WISYIIOYSA-N	0	0	284.268	-0.246	50	5		CBBARN
NC(=O)C1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1	ZINC000009703625	170384757	/nfs/dbraw/zinc/38/47/57/170384757.db2.gz	LUIUPLGCBNPKMG-UHFFFAOYSA-N	0	0	267.245	-0.345	50	5		CBBARN
Nc1ncnc(NCCN2CCOCC2)c1[N+](=O)[O-]	ZINC000020387245	171176521	/nfs/dbraw/zinc/17/65/21/171176521.db2.gz	ZIPRAEGTJNKELY-UHFFFAOYSA-N	0	0	268.277	-0.289	50	5		CBBARN
CN1CCN(N=c2nc[nH]c(N)c2[N+](=O)[O-])CC1	ZINC000003912541	277109979	/nfs/dbraw/zinc/10/99/79/277109979.db2.gz	KWZJPVMZFZQYPY-UHFFFAOYSA-N	0	0	253.266	-0.459	50	5		CBBARN
Nc1ncnc(N[C@@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-]	ZINC000003912726	279712123	/nfs/dbraw/zinc/71/21/23/279712123.db2.gz	UTLVLTDCBRBJEC-RXMQYKEDSA-N	0	0	273.274	-0.434	50	5		CBBARN
Cc1ccc([N+](=O)[O-])cc1N[C@@H]1OC[C@H](O)[C@H](O)[C@@H]1O	ZINC000101103385	281018861	/nfs/dbraw/zinc/01/88/61/281018861.db2.gz	FFXFFAHBRXFFAV-FIQHERPVSA-N	0	0	284.268	-0.246	50	5		CBBARN
CC1(C)N2CC3([N+](=O)[O-])CN1CC([N+](=O)[O-])(C2)C3	ZINC000019320460	281377381	/nfs/dbraw/zinc/37/73/81/281377381.db2.gz	QGVZRJVGQDBRKC-UHFFFAOYSA-N	0	0	256.262	-0.212	50	5		CBBARN
Cc1cc(N2CC(S(N)(=O)=O)C2)ncc1[N+](=O)[O-]	ZINC000904217687	656324587	/nfs/dbraw/zinc/32/45/87/656324587.db2.gz	KJQACFGAGRXRMN-UHFFFAOYSA-N	0	0	272.286	-0.225	50	5		CBBARN
C[C@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2)[C@H](O)[C@@H](O)[C@H]1O	ZINC000002597046	351310254	/nfs/dbraw/zinc/31/02/54/351310254.db2.gz	YILIDCGSXCGACV-BVWHHUJWSA-N	0	0	285.252	-0.199	50	5		CBBARN
Cn1ccc(CNC(=O)c2nn(C)cc2[N+](=O)[O-])n1	ZINC000002778883	351310769	/nfs/dbraw/zinc/31/07/69/351310769.db2.gz	GJUFVTBDTQHKDL-UHFFFAOYSA-N	0	0	264.245	-0.008	50	5		CBBARN
Cn1cnc([N+](=O)[O-])c1NCCN1CCNC1=O	ZINC000004302396	351317583	/nfs/dbraw/zinc/31/75/83/351317583.db2.gz	JASBDHHYXXTEDC-UHFFFAOYSA-N	0	0	254.250	-0.235	50	5		CBBARN
Cc1ccc([N+](=O)[O-])cc1N[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	ZINC000013482885	351336287	/nfs/dbraw/zinc/33/62/87/351336287.db2.gz	YPSRIGRTTBFRQB-WISYIIOYSA-N	0	0	284.268	-0.246	50	5		CBBARN
Cc1nc(NCCO)nc(N2CCOCC2)c1[N+](=O)[O-]	ZINC000036708791	351391661	/nfs/dbraw/zinc/39/16/61/351391661.db2.gz	YYVQSGXXJDJLFS-UHFFFAOYSA-N	0	0	283.288	-0.066	50	5		CBBARN
Nc1nc(N[C@@H]2CCS(=O)(=O)C2)ncc1[N+](=O)[O-]	ZINC000048545471	351473445	/nfs/dbraw/zinc/47/34/45/351473445.db2.gz	DOAXKXLBLUCIDY-RXMQYKEDSA-N	0	0	273.274	-0.434	50	5		CBBARN
O=[N+]([O-])c1ccccc1N[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000101146849	351782077	/nfs/dbraw/zinc/78/20/77/351782077.db2.gz	AVYBYOVKUDKGEY-GWOFURMSSA-N	0	0	270.241	-0.554	50	5		CBBARN
Cc1cc([N+](=O)[O-])ccc1N[C@@H]1OC[C@H](O)[C@@H](O)[C@H]1O	ZINC000101146888	351782496	/nfs/dbraw/zinc/78/24/96/351782496.db2.gz	KNHGFOSGFLWCOZ-IRCOFANPSA-N	0	0	284.268	-0.246	50	5		CBBARN
O=[N+]([O-])c1ccc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1	ZINC000101146858	351782621	/nfs/dbraw/zinc/78/26/21/351782621.db2.gz	QJZGERHAPGWLSY-GWOFURMSSA-N	0	0	270.241	-0.554	50	5		CBBARN
O=[N+]([O-])c1cccc(N[C@@H]2OC[C@H](O)[C@@H](O)[C@H]2O)c1	ZINC000101833617	351783106	/nfs/dbraw/zinc/78/31/06/351783106.db2.gz	LZYBXOWFOCKWJE-LNFKQOIKSA-N	0	0	270.241	-0.554	50	5		CBBARN
O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H](O)[C@@H](O)C2)cc1	ZINC000093091908	351757005	/nfs/dbraw/zinc/75/70/05/351757005.db2.gz	ALCIZAAAINKCRK-AOOOYVTPSA-N	0	0	288.281	-0.679	50	5		CBBARN
CCOC(=O)CN(CCOC)c1ncc([N+](=O)[O-])c(N)n1	ZINC000095443202	351771196	/nfs/dbraw/zinc/77/11/96/351771196.db2.gz	NNXKYGLNDADLEX-UHFFFAOYSA-N	0	0	299.287	-0.017	50	5		CBBARN
CNC(=O)[C@@H](O)CNc1ncc([N+](=O)[O-])cc1C	ZINC000225435416	352248249	/nfs/dbraw/zinc/24/82/49/352248249.db2.gz	CZUJTJBKGIRSHF-QMMMGPOBSA-N	0	0	254.246	-0.183	50	5		CBBARN
C[C@@H]1O[C@H](Nc2cccc([N+](=O)[O-])c2)[C@H](O)[C@H](O)[C@@H]1O	ZINC000239275068	352315241	/nfs/dbraw/zinc/31/52/41/352315241.db2.gz	BDCSZHDDKFSAHA-XQFKGYICSA-N	0	0	284.268	-0.166	50	5		CBBARN
O=[N+]([O-])c1ccccc1N[C@@H]1OC[C@H](O)[C@H](O)[C@@H]1O	ZINC000240228139	352315519	/nfs/dbraw/zinc/31/55/19/352315519.db2.gz	KGPWBFBBGLVSFD-XWLWVQCSSA-N	0	0	270.241	-0.554	50	5		CBBARN
CN1CCN(c2nc(NCCO)nc(N)c2[N+](=O)[O-])CC1	ZINC000005215224	372752703	/nfs/dbraw/zinc/75/27/03/372752703.db2.gz	LASBDSGSRXMCJQ-UHFFFAOYSA-N	0	0	297.319	-0.877	50	5		CBBARN
O=C1Nc2ccccc2C12OCC(CO)([N+](=O)[O-])CO2	ZINC000000086858	372753215	/nfs/dbraw/zinc/75/32/15/372753215.db2.gz	HKLQOWOLXQCBRE-UHFFFAOYSA-N	0	0	280.236	-0.154	50	5		CBBARN
Cc1ccc([N+](=O)[O-])c(N[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c1	ZINC000245238318	189916236	/nfs/dbraw/zinc/91/62/36/189916236.db2.gz	JXVQQJXIAAZNPX-NOOOWODRSA-N	0	0	284.268	-0.246	50	5		CBBARN
Cc1cc([N+](=O)[O-])ccc1N[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O	ZINC000247992891	189943594	/nfs/dbraw/zinc/94/35/94/189943594.db2.gz	NOKJZZUEVOXWAS-NOOOWODRSA-N	0	0	284.268	-0.246	50	5		CBBARN
O=C(Cn1nnc([N+](=O)[O-])n1)NCc1ccccc1	ZINC000000438788	169640995	/nfs/dbraw/zinc/64/09/95/169640995.db2.gz	LQULNVQEUFDAKX-UHFFFAOYSA-N	0	0	262.229	-0.102	50	5		CBBARN
CNC(=O)NC(=O)COC(=O)c1ccc([N+](=O)[O-])o1	ZINC000003510392	169892576	/nfs/dbraw/zinc/89/25/76/169892576.db2.gz	BCMJLURIESUENT-UHFFFAOYSA-N	0	0	271.185	-0.200	50	5		CBBARN
CCNC(=O)c1nc(Cn2cc([N+](=O)[O-])cn2)no1	ZINC000004721603	170004605	/nfs/dbraw/zinc/00/46/05/170004605.db2.gz	FDECWOYLUBSGFJ-UHFFFAOYSA-N	0	0	266.217	-0.028	50	5		CBBARN
CCN1C[C@@]2([N+](=O)[O-])C=C(C(N)=O)C[C@@]([N+](=O)[O-])(C1)C2	ZINC000033390962	411624586	/nfs/dbraw/zinc/62/45/86/411624586.db2.gz	SGAMACJREFTAQK-MNOVXSKESA-N	0	0	284.272	-0.442	50	5		CBBARN
CNC(=O)C1CCN(C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])CC1	ZINC000044943934	175282754	/nfs/dbraw/zinc/28/27/54/175282754.db2.gz	POYZSLCLYGOHBN-BDAKNGLRSA-N	0	0	255.274	-0.364	50	5		CBBARN
CNC1=C([N+](=O)[O-])CC([N+](=O)[O-])=C(N2CCOCC2)N1C	ZINC000003189995	277262879	/nfs/dbraw/zinc/26/28/79/277262879.db2.gz	ZIDXQQGFZWIOJQ-UHFFFAOYSA-N	0	0	299.287	-0.235	50	5		CBBARN
O=[N+]([O-])c1ccc(N[C@@H]2O[C@H](CO)C[C@@H](O)[C@H]2O)cc1	ZINC000239297252	656117542	/nfs/dbraw/zinc/11/75/42/656117542.db2.gz	DURMOUDVBDXBKP-IRCOFANPSA-N	0	0	284.268	-0.164	50	5		CBBARN
Cc1cc([N+](=O)[O-])nn1CC(=O)N1CCOCC1	ZINC000000037370	351298344	/nfs/dbraw/zinc/29/83/44/351298344.db2.gz	CTTLAGYEYKFRPY-UHFFFAOYSA-N	0	0	254.246	-0.041	50	5		CBBARN
Cn1cc([N+](=O)[O-])c(C(=O)NN2CCOCC2)n1	ZINC000002770887	351310656	/nfs/dbraw/zinc/31/06/56/351310656.db2.gz	PKZIHBMWPUHGPJ-UHFFFAOYSA-N	0	0	255.234	-0.695	50	5		CBBARN
CN(C)c1nc(N)c([N+](=O)[O-])c(N2CCOCC2)n1	ZINC000005217962	351322260	/nfs/dbraw/zinc/32/22/60/351322260.db2.gz	AXMDGAAZRSXTMJ-UHFFFAOYSA-N	0	0	268.277	-0.130	50	5		CBBARN
O=[N+]([O-])c1cccc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c1	ZINC000013425125	351336780	/nfs/dbraw/zinc/33/67/80/351336780.db2.gz	PJTVTWRIKMCPKR-CHWFTXMASA-N	0	0	270.241	-0.554	50	5		CBBARN
O=C(Cn1cc([N+](=O)[O-])cn1)NCCNC(=O)C1CC1	ZINC000017008472	351345679	/nfs/dbraw/zinc/34/56/79/351345679.db2.gz	ZPYKJFUENHFJAS-UHFFFAOYSA-N	0	0	281.272	-0.566	50	5		CBBARN
CC1(C)C2([N+](=O)[O-])CN3CN(C2)CC1([N+](=O)[O-])C3	ZINC000019300017	351348672	/nfs/dbraw/zinc/34/86/72/351348672.db2.gz	MBUKUTJDOSKTEX-UHFFFAOYSA-N	0	0	256.262	-0.354	50	5		CBBARN
Nc1nc(N[C@H]2CCCN(CCO)C2=O)ncc1[N+](=O)[O-]	ZINC000097162973	351776942	/nfs/dbraw/zinc/77/69/42/351776942.db2.gz	CVCFZQTYPZPOPA-ZETCQYMHSA-N	0	0	296.287	-0.638	50	5		CBBARN
CNC(=O)[C@H](O)CNc1ncc([N+](=O)[O-])cc1C	ZINC000225435382	352247948	/nfs/dbraw/zinc/24/79/48/352247948.db2.gz	CZUJTJBKGIRSHF-MRVPVSSYSA-N	0	0	254.246	-0.183	50	5		CBBARN
O=[N+]([O-])[C@H]([C@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1	ZINC000239347360	352315314	/nfs/dbraw/zinc/31/53/14/352315314.db2.gz	MTYKSDFJLYJRDR-BRPSZJMVSA-N	0	0	297.354	-0.499	50	5		CBBARN
C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)[C@H]1C[C@H]1[N+](=O)[O-]	ZINC000248086427	352350399	/nfs/dbraw/zinc/35/03/99/352350399.db2.gz	KJNJSRXSYXDJDO-RYPBNFRJSA-N	0	0	255.274	-0.236	50	5		CBBARN
C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)[C@H]1C[C@@H]1[N+](=O)[O-]	ZINC000248086430	352350436	/nfs/dbraw/zinc/35/04/36/352350436.db2.gz	KJNJSRXSYXDJDO-XGEHTFHBSA-N	0	0	255.274	-0.236	50	5		CBBARN
Cn1cc(NC(=O)c2c([N+](=O)[O-])cnn2C)c(C(N)=O)n1	ZINC000002770816	169827960	/nfs/dbraw/zinc/82/79/60/169827960.db2.gz	DCYFRRIDNWQKFH-UHFFFAOYSA-N	0	0	293.243	-0.587	50	5		CBBARN
O=[N+]([O-])c1c2nonc2ccc1N(CCO)CCO	ZINC000005008154	170054644	/nfs/dbraw/zinc/05/46/44/170054644.db2.gz	RMCXSSFSDYZJMZ-UHFFFAOYSA-N	0	0	268.229	-0.078	50	5		CBBARN
CNC(=O)C1CCN(C(=O)[C@H]2C[C@@H]2[N+](=O)[O-])CC1	ZINC000044943937	175282625	/nfs/dbraw/zinc/28/26/25/175282625.db2.gz	POYZSLCLYGOHBN-IUCAKERBSA-N	0	0	255.274	-0.364	50	5		CBBARN
COC(=O)c1cc([N+](=O)[O-])nn1CC(=O)N(C)C	ZINC000072336333	176370938	/nfs/dbraw/zinc/37/09/38/176370938.db2.gz	BNVFSUIYDNSCPJ-UHFFFAOYSA-N	0	0	256.218	-0.334	50	5		CBBARN
Cc1c([N+](=O)[O-])c(C(=O)NN2CCOCC2)nn1C	ZINC000002776622	351310774	/nfs/dbraw/zinc/31/07/74/351310774.db2.gz	TVKGFXRNJOJHKH-UHFFFAOYSA-N	0	0	269.261	-0.386	50	5		CBBARN
O=[N+]([O-])c1ccc(N[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)cc1	ZINC000003999014	351315610	/nfs/dbraw/zinc/31/56/10/351315610.db2.gz	VNKDLWYBNIBMEY-UKKRHICBSA-N	0	0	270.241	-0.554	50	5		CBBARN
O=[N+]([O-])c1ccc(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)cc1	ZINC000013520513	351336565	/nfs/dbraw/zinc/33/65/65/351336565.db2.gz	MLJYKRYCCUGBBV-MMWGEVLESA-N	0	0	271.225	-0.587	50	5	in-vitro	CBBARN
NC(=O)c1cc([N+](=O)[O-])cn(CC(=O)N2CCC2)c1=O	ZINC000031812848	351378301	/nfs/dbraw/zinc/37/83/01/351378301.db2.gz	AIQXKDDJGQWMBM-UHFFFAOYSA-N	0	0	280.240	-0.912	50	5		CBBARN
COC(=O)C[C@@H]1C(=O)NCCN1c1ccc([N+](=O)[O-])cn1	ZINC000025370325	351364267	/nfs/dbraw/zinc/36/42/67/351364267.db2.gz	LSJWQPCQXVLLHJ-SECBINFHSA-N	0	0	294.267	-0.142	50	5		CBBARN
NC(=O)CN1CCCN(c2ccc([N+](=O)[O-])cn2)CC1	ZINC000049321079	351491188	/nfs/dbraw/zinc/49/11/88/351491188.db2.gz	NJOJHTAQUHVGHS-UHFFFAOYSA-N	0	0	279.300	-0.013	50	5		CBBARN
Cn1nnc([N-]S(=O)(=O)c2ccc(N)c([N+](=O)[O-])c2)n1	ZINC000127404144	351863344	/nfs/dbraw/zinc/86/33/44/351863344.db2.gz	PAVALRPKYVHKHF-UHFFFAOYSA-N	0	0	299.272	-0.499	50	5		CBBARN
C[C@@H]1O[C@H](Oc2ccc([N+](=O)[O-])cc2)[C@H](O)[C@H](O)[C@H]1O	ZINC000143048863	351925226	/nfs/dbraw/zinc/92/52/26/351925226.db2.gz	YILIDCGSXCGACV-CZDOKNLBSA-N	0	0	285.252	-0.199	50	5		CBBARN
Cc1ccc(N[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)cc1[N+](=O)[O-]	ZINC000169682658	351996884	/nfs/dbraw/zinc/99/68/84/351996884.db2.gz	ILLLCBDIMXOWNN-FIQHERPVSA-N	0	0	284.268	-0.246	50	5		CBBARN
Cc1cc([N+](=O)[O-])ccc1N[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	ZINC000239331368	352315464	/nfs/dbraw/zinc/31/54/64/352315464.db2.gz	KNHGFOSGFLWCOZ-NNYUYHANSA-N	0	0	284.268	-0.246	50	5		CBBARN
C[C@@H]1O[C@H](Nc2cccc([N+](=O)[O-])c2)[C@H](O)[C@H](O)[C@H]1O	ZINC000239275067	352315530	/nfs/dbraw/zinc/31/55/30/352315530.db2.gz	BDCSZHDDKFSAHA-UOAXWKJLSA-N	0	0	284.268	-0.166	50	5		CBBARN
O=[N+]([O-])c1ccc(N[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)cc1	ZINC000245380075	352317985	/nfs/dbraw/zinc/31/79/85/352317985.db2.gz	QJZGERHAPGWLSY-VPOLOUISSA-N	0	0	270.241	-0.554	50	5		CBBARN
[NH3+]CC[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000195544440	283439656	/nfs/dbraw/zinc/43/96/56/283439656.db2.gz	AYTHSEJFXXYRTR-UHFFFAOYSA-N	0	0	263.250	-0.029	50	5		CBBARN
CNC(=O)[C@@H]1CCCN1c1ncc([N+](=O)[O-])c(N)n1	ZINC000225384909	189748470	/nfs/dbraw/zinc/74/84/70/189748470.db2.gz	VHDCZOGMSJBSNY-LURJTMIESA-N	0	0	266.261	-0.318	50	5		CBBARN
O=C(c1cccc([N+](=O)[O-])c1)N1CC(=O)NC(=O)C1	ZINC000000296911	169600538	/nfs/dbraw/zinc/60/05/38/169600538.db2.gz	ZSKUOIZHMKRYEG-UHFFFAOYSA-N	0	0	263.209	-0.307	50	5		CBBARN
O=C(Cn1cnc([N+](=O)[O-])n1)NCc1cccnc1	ZINC000000529126	169663290	/nfs/dbraw/zinc/66/32/90/169663290.db2.gz	YORCMSMGDKXQBE-UHFFFAOYSA-N	0	0	262.229	-0.102	50	5		CBBARN
CCOC(=O)CNC(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000002487898	169794564	/nfs/dbraw/zinc/79/45/64/169794564.db2.gz	IFTQSPKEQKRRFG-UHFFFAOYSA-N	0	0	256.218	-0.379	50	5		CBBARN
Cn1ccc(CNC(=O)c2c([N+](=O)[O-])cnn2C)n1	ZINC000002778668	169829465	/nfs/dbraw/zinc/82/94/65/169829465.db2.gz	MAKRALVVJSYLFV-UHFFFAOYSA-N	0	0	264.245	-0.008	50	5		CBBARN
Cc1ccc([N+](=O)[O-])cc1N[C@@H]1OC[C@@H](O)[C@@H](O)[C@H]1O	ZINC000003897840	169922342	/nfs/dbraw/zinc/92/23/42/169922342.db2.gz	FFXFFAHBRXFFAV-DDHJBXDOSA-N	0	0	284.268	-0.246	50	5		CBBARN
CN(c1ncnc(N)c1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC000004881389	170035352	/nfs/dbraw/zinc/03/53/52/170035352.db2.gz	ZBNSPKYDIJJKFU-LURJTMIESA-N	0	0	287.301	-0.410	50	5		CBBARN
CN(c1ncnc(N)c1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000004881388	170035551	/nfs/dbraw/zinc/03/55/51/170035551.db2.gz	ZBNSPKYDIJJKFU-ZCFIWIBFSA-N	0	0	287.301	-0.410	50	5		CBBARN
CNC(=O)NC(=O)COc1cccnc1[N+](=O)[O-]	ZINC000005971121	170164548	/nfs/dbraw/zinc/16/45/48/170164548.db2.gz	IFPSZBMJWPEVSN-UHFFFAOYSA-N	0	0	254.202	-0.176	50	5		CBBARN
O=[N+]([O-])c1ccc([C@H]2NC(CO)(CO)CO2)cc1	ZINC000020223515	171085580	/nfs/dbraw/zinc/08/55/80/171085580.db2.gz	DDVHWDFQHZUGKS-JTQLQIEISA-N	0	0	254.242	-0.063	50	5		CBBARN
O=[N+]([O-])c1ccc([C@@H]2NC(CO)(CO)CO2)cc1	ZINC000020223517	171086100	/nfs/dbraw/zinc/08/61/00/171086100.db2.gz	DDVHWDFQHZUGKS-SNVBAGLBSA-N	0	0	254.242	-0.063	50	5		CBBARN
Nc1ncnc(N2CCN(CCO)CC2)c1[N+](=O)[O-]	ZINC000023153907	295374322	/nfs/dbraw/zinc/37/43/22/295374322.db2.gz	RWQLCXBVWBSAAE-UHFFFAOYSA-N	0	0	268.277	-0.919	50	5		CBBARN
O=[N+]([O-])c1ccc(O[C@@H]2OC[C@H](O)[C@@H](O)[C@H]2O)cc1	ZINC000110285963	186289576	/nfs/dbraw/zinc/28/95/76/186289576.db2.gz	MLJYKRYCCUGBBV-ZDCRXTMVSA-N	0	0	271.225	-0.587	50	5		CBBARN
Cc1ccc([N+](=O)[O-])cc1N[C@@H]1OC[C@H](O)[C@@H](O)[C@H]1O	ZINC000001514640	351303904	/nfs/dbraw/zinc/30/39/04/351303904.db2.gz	FFXFFAHBRXFFAV-IRCOFANPSA-N	0	0	284.268	-0.246	50	5		CBBARN
O=[N+]([O-])c1cccc2c1nnn2[C@H](CO)OCCO	ZINC000002472781	351308766	/nfs/dbraw/zinc/30/87/66/351308766.db2.gz	BKAOAKGMRCOOOR-VIFPVBQESA-N	0	0	268.229	-0.161	50	5		CBBARN
CCn1cc([N+](=O)[O-])c(C(=O)NN2CCOCC2)n1	ZINC000002778706	351310008	/nfs/dbraw/zinc/31/00/08/351310008.db2.gz	IRVAUWGTTJESTP-UHFFFAOYSA-N	0	0	269.261	-0.212	50	5		CBBARN
Cc1nn(C)c(C(=O)NN2CCOCC2)c1[N+](=O)[O-]	ZINC000002776639	351310454	/nfs/dbraw/zinc/31/04/54/351310454.db2.gz	QAHUECXANJGAHV-UHFFFAOYSA-N	0	0	269.261	-0.386	50	5		CBBARN
Cn1ncc([N+](=O)[O-])c1C(=O)NN1CCOCC1	ZINC000002770931	351310605	/nfs/dbraw/zinc/31/06/05/351310605.db2.gz	BGQVDPCHGHVSFB-UHFFFAOYSA-N	0	0	255.234	-0.695	50	5		CBBARN
Cn1cc(NC(=O)c2nn(C)cc2[N+](=O)[O-])c(C(N)=O)n1	ZINC000002770982	351310626	/nfs/dbraw/zinc/31/06/26/351310626.db2.gz	DMWOIISJWJWDIK-UHFFFAOYSA-N	0	0	293.243	-0.587	50	5		CBBARN
COCCNc1nc(N)c([N+](=O)[O-])c(N2CCOCC2)n1	ZINC000004306423	351317513	/nfs/dbraw/zinc/31/75/13/351317513.db2.gz	KKGVLJCSHODQFA-UHFFFAOYSA-N	0	0	298.303	-0.138	50	5		CBBARN
CC(C)C(=O)NCCNC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000028432981	351370382	/nfs/dbraw/zinc/37/03/82/351370382.db2.gz	WODAWQSQIMEGJB-UHFFFAOYSA-N	0	0	283.288	-0.320	50	5		CBBARN
Cn1cnc([N+](=O)[O-])c1NCCCNS(C)(=O)=O	ZINC000029530503	351373348	/nfs/dbraw/zinc/37/33/48/351373348.db2.gz	ZEHOQZBQDDKWFW-UHFFFAOYSA-N	0	0	277.306	-0.321	50	5		CBBARN
C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000248086379	352350454	/nfs/dbraw/zinc/35/04/54/352350454.db2.gz	KJNJSRXSYXDJDO-BZNPZCIMSA-N	0	0	255.274	-0.236	50	5		CBBARN
O=C(Cn1cc([N+](=O)[O-])cn1)NCCOC(=O)C1CC1	ZINC000408516115	353926679	/nfs/dbraw/zinc/92/66/79/353926679.db2.gz	QKNSXAZRKCXBTE-UHFFFAOYSA-N	0	0	282.256	-0.139	50	5		CBBARN
Cc1ccc(N[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c([N+](=O)[O-])c1	ZINC000105360217	220201393	/nfs/dbraw/zinc/20/13/93/220201393.db2.gz	OKHAGBCTHFBJQD-NOOOWODRSA-N	0	0	284.268	-0.246	50	5		CBBARN
CCCNC(=O)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O	ZINC000005039003	170059349	/nfs/dbraw/zinc/05/93/49/170059349.db2.gz	KEECINHNGYYRJJ-UHFFFAOYSA-N	0	0	282.256	-0.008	50	5		CBBARN
Nc1nc(NCCO)nc(NC[C@H]2CCCO2)c1[N+](=O)[O-]	ZINC000005049619	170061269	/nfs/dbraw/zinc/06/12/69/170061269.db2.gz	RTXVHSBETURWIU-SSDOTTSWSA-N	0	0	298.303	-0.038	50	5		CBBARN
O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)cc1	ZINC000006093332	170175833	/nfs/dbraw/zinc/17/58/33/170175833.db2.gz	DUYYBTBDYZXISX-UKKRHICBSA-N	0	0	271.225	-0.587	50	5	in-vivo	CBBARN
CS(=O)(=O)NCCNC(=O)c1cccc([N+](=O)[O-])c1	ZINC000008169517	170322628	/nfs/dbraw/zinc/32/26/28/170322628.db2.gz	XKVMPYLDQQNYHJ-UHFFFAOYSA-N	0	0	287.297	-0.126	50	5		CBBARN
Cn1cc([N+](=O)[O-])c(C(=O)NCCCN2CCOCC2)n1	ZINC000022238428	171380596	/nfs/dbraw/zinc/38/05/96/171380596.db2.gz	WDIRYOGHDINMBT-UHFFFAOYSA-N	0	0	297.315	-0.220	50	5		CBBARN
Cn1ncc2c1nc(Cn1nccc1[N+](=O)[O-])[nH]c2=O	ZINC000049493660	419453038	/nfs/dbraw/zinc/45/30/38/419453038.db2.gz	PQMOERRSTFVLBA-UHFFFAOYSA-N	0	0	275.228	-0.190	50	5		CBBARN
CN1C[C@@]2([N+](=O)[O-])CC=C(OCCO)[C@@]([N+](=O)[O-])(C1)C2	ZINC000019831578	290297124	/nfs/dbraw/zinc/29/71/24/290297124.db2.gz	NETGXSFDRKUIML-MNOVXSKESA-N	0	0	287.272	-0.351	50	5		CBBARN
Cn1c(=O)n(-c2cccc([N+](=O)[O-])c2)c(=O)n1C	ZINC000040545843	294143921	/nfs/dbraw/zinc/14/39/21/294143921.db2.gz	MMSSDMNKCRMOJJ-UHFFFAOYSA-N	0	0	250.214	-0.217	50	5		CBBARN
NC(=O)CN1CCCN(c2ncccc2[N+](=O)[O-])CC1	ZINC000049321101	295046133	/nfs/dbraw/zinc/04/61/33/295046133.db2.gz	CMFWDVXMBFMLNA-UHFFFAOYSA-N	0	0	279.300	-0.013	50	5		CBBARN
Cc1ccc(N[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1[N+](=O)[O-]	ZINC000245294899	656118215	/nfs/dbraw/zinc/11/82/15/656118215.db2.gz	BVNURZFNVCUFJC-WRWGMCAJSA-N	0	0	284.268	-0.246	50	5		CBBARN
CN1C(=O)c2c(cc([N+](=O)[O-])cc2NN)[S@]1=O	ZINC000245236733	282665552	/nfs/dbraw/zinc/66/55/52/282665552.db2.gz	VOAUQLSJSUDBBA-KRWDZBQOSA-N	0	0	256.243	-0.011	50	5		CBBARN
COCCNC(=O)c1nc(Cn2ccc([N+](=O)[O-])n2)no1	ZINC000012417947	351334131	/nfs/dbraw/zinc/33/41/31/351334131.db2.gz	LFBMLJUPXRTMLI-UHFFFAOYSA-N	0	0	296.243	-0.401	50	5		CBBARN
O=[N+]([O-])C([C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1	ZINC000001232747	351302652	/nfs/dbraw/zinc/30/26/52/351302652.db2.gz	MTYKSDFJLYJRDR-HTQZYQBOSA-N	0	0	297.354	-0.499	50	5		CBBARN
Cn1cc(CNC(=O)c2nn(C)cc2[N+](=O)[O-])cn1	ZINC000002778267	351309926	/nfs/dbraw/zinc/30/99/26/351309926.db2.gz	AZLFTJKJINJJRU-UHFFFAOYSA-N	0	0	264.245	-0.008	50	5		CBBARN
COc1ccc(C(=O)OCC(=O)NC(N)=O)cc1[N+](=O)[O-]	ZINC000003564704	351313950	/nfs/dbraw/zinc/31/39/50/351313950.db2.gz	NECVPSLUDCGOFP-UHFFFAOYSA-N	0	0	297.223	-0.045	50	5		CBBARN
COc1nc(N2CCOCC2)nc(N)c1[N+](=O)[O-]	ZINC000004140248	351316380	/nfs/dbraw/zinc/31/63/80/351316380.db2.gz	OYGHTWPBAZORNV-UHFFFAOYSA-N	0	0	255.234	-0.188	50	5		CBBARN
NNc1c([N+](=O)[O-])cc2[nH]c(=O)[nH]c2c1[N+](=O)[O-]	ZINC000013306593	351336085	/nfs/dbraw/zinc/33/60/85/351336085.db2.gz	CSZZLBUBWYKWKF-UHFFFAOYSA-N	0	0	254.162	-0.042	50	5		CBBARN
O=[N+]([O-])c1ccc(O[C@H]2OC[C@H](O)[C@H](O)[C@H]2O)cc1	ZINC000013537385	351336124	/nfs/dbraw/zinc/33/61/24/351336124.db2.gz	MLJYKRYCCUGBBV-UKKRHICBSA-N	0	0	271.225	-0.587	50	5		CBBARN
Nc1nc(NCCO)nc(N2CCOCC2)c1[N+](=O)[O-]	ZINC000005516362	351323387	/nfs/dbraw/zinc/32/33/87/351323387.db2.gz	VLXXAEXFLXQWOA-UHFFFAOYSA-N	0	0	284.276	-0.792	50	5		CBBARN
CCOC(=O)Cc1c([N+](=O)[O-])c(=O)n(C)c(=O)n1C	ZINC000005952826	351324260	/nfs/dbraw/zinc/32/42/60/351324260.db2.gz	FICIKTUWMMGAHZ-UHFFFAOYSA-N	0	0	271.229	-0.902	50	5		CBBARN
CCOC(=O)Cn1nc([N+](=O)[O-])nc1N1CCOCC1	ZINC000030823059	351376073	/nfs/dbraw/zinc/37/60/73/351376073.db2.gz	LHYPZRCZDIWNDF-UHFFFAOYSA-N	0	0	285.260	-0.414	50	5		CBBARN
O=[N+]([O-])OCc1cnnn1-c1nonc1[N+](=O)[O-]	ZINC000075272885	351666881	/nfs/dbraw/zinc/66/68/81/351666881.db2.gz	CAGQNYHPCVHLLY-UHFFFAOYSA-N	0	0	257.122	-0.733	50	5		CBBARN
Nn1ccc2c(cnc3ccn(-n4cnnc4)c(=O)c32)c1=O	ZINC000072406174	283704399	/nfs/dbraw/zinc/70/43/99/283704399.db2.gz	LXLAIJHKCLTGED-UHFFFAOYSA-N	0	0	295.262	-0.672	50	5		CBBARN
CS(=O)(=O)N(CC(N)=O)c1cccc([N+](=O)[O-])c1	ZINC000000468955	169649034	/nfs/dbraw/zinc/64/90/34/169649034.db2.gz	YAAGEEDXFUZLBD-UHFFFAOYSA-N	0	0	273.270	-0.154	50	5		CBBARN
O=[N+]([O-])c1ncn(CCn2ncnc2[N+](=O)[O-])n1	ZINC000002065349	169773443	/nfs/dbraw/zinc/77/34/43/169773443.db2.gz	XRRBLHFCTCLOIL-UHFFFAOYSA-N	0	0	254.166	-0.614	50	5		CBBARN
NC(=O)NC(=O)COC(=O)c1ccc([N+](=O)[O-])o1	ZINC000003512260	169892963	/nfs/dbraw/zinc/89/29/63/169892963.db2.gz	HLQCLMGIKGANRL-UHFFFAOYSA-N	0	0	257.158	-0.461	50	5		CBBARN
O=[N+]([O-])c1ccc(N(CCO)CCO)c2nonc21	ZINC000004894757	170037337	/nfs/dbraw/zinc/03/73/37/170037337.db2.gz	UBKDUUMSZMURTP-UHFFFAOYSA-N	0	0	268.229	-0.078	50	5		CBBARN
O=[N+]([O-])c1ccc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1	ZINC000006093331	170175872	/nfs/dbraw/zinc/17/58/72/170175872.db2.gz	MLJYKRYCCUGBBV-YTWAJWBKSA-N	0	0	271.225	-0.587	50	5	in-vitro	CBBARN
O=C(Cn1cnc([N+](=O)[O-])n1)Nc1nncs1	ZINC000008856393	170357758	/nfs/dbraw/zinc/35/77/58/170357758.db2.gz	OQXIKXYHELMCBW-UHFFFAOYSA-N	0	0	255.219	-0.324	50	5		CBBARN
O=[N+]([O-])[C@@]12C=CC[C@@]([N+](=O)[O-])(CN(CCO)C1)C2	ZINC000033391904	411624401	/nfs/dbraw/zinc/62/44/01/411624401.db2.gz	TWAADFPRUHACJZ-ZJUUUORDSA-N	0	0	257.246	-0.325	50	5		CBBARN
COc1nc(N2CCN(C)CC2)nc(N)c1[N+](=O)[O-]	ZINC000004123431	274167794	/nfs/dbraw/zinc/16/77/94/274167794.db2.gz	XEXRWVNIODOGHU-UHFFFAOYSA-N	0	0	268.277	-0.273	50	5		CBBARN
C[C@@H](O)CNc1ncnc(NC[C@@H](C)O)c1[N+](=O)[O-]	ZINC000585092815	884565221	/nfs/dbraw/zinc/56/52/21/884565221.db2.gz	OZYDSZDBSXDFBQ-RNFRBKRXSA-N	0	0	271.277	-0.030	50	5		CBBARN
CN1C(=O)c2c(cc([N+](=O)[O-])cc2NN)[S@@]1=O	ZINC000245236732	282665662	/nfs/dbraw/zinc/66/56/62/282665662.db2.gz	VOAUQLSJSUDBBA-QGZVFWFLSA-N	0	0	256.243	-0.011	50	5		CBBARN
Cc1ccc(N[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)cc1[N+](=O)[O-]	ZINC000000243920	351300016	/nfs/dbraw/zinc/30/00/16/351300016.db2.gz	ILLLCBDIMXOWNN-NNYUYHANSA-N	0	0	284.268	-0.246	50	5		CBBARN
Cn1c(CN2CCN(CCO)CC2)ncc1[N+](=O)[O-]	ZINC000001585079	351304150	/nfs/dbraw/zinc/30/41/50/351304150.db2.gz	HFDSCTCNNRNJIE-UHFFFAOYSA-N	0	0	269.305	-0.562	50	5	in-vitro	CBBARN
CN1CCN(c2nc(N)c([N+](=O)[O-])c(NCCO)n2)CC1	ZINC000005156820	351322100	/nfs/dbraw/zinc/32/21/00/351322100.db2.gz	UQPFCYXTNGSPNR-UHFFFAOYSA-N	0	0	297.319	-0.877	50	5		CBBARN
O=C1CS(=O)(=O)CC(=O)N1c1cccc([N+](=O)[O-])c1	ZINC000005714378	351323348	/nfs/dbraw/zinc/32/33/48/351323348.db2.gz	ODALKXJRORHAPN-UHFFFAOYSA-N	0	0	284.249	-0.117	50	5		CBBARN
Cc1cc([N+](=O)[O-])ccc1N[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	ZINC000013425157	351336255	/nfs/dbraw/zinc/33/62/55/351336255.db2.gz	NOKJZZUEVOXWAS-WISYIIOYSA-N	0	0	284.268	-0.246	50	5		CBBARN
Nc1c2no[n+]([O-])c2c([N+](=O)[O-])c(N)c1[N+](=O)[O-]	ZINC000009215657	351327733	/nfs/dbraw/zinc/32/77/33/351327733.db2.gz	QCMLTCZYPKAMRW-UHFFFAOYSA-N	0	0	256.134	-0.558	50	5		CBBARN
Cn1c(=O)cc(COc2cccnc2[N+](=O)[O-])n(C)c1=O	ZINC000011387762	351329939	/nfs/dbraw/zinc/32/99/39/351329939.db2.gz	JRQBTTLFGAZSLI-UHFFFAOYSA-N	0	0	292.251	-0.034	50	5		CBBARN
CNC(=O)NC(=O)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21	ZINC000028005104	351370025	/nfs/dbraw/zinc/37/00/25/351370025.db2.gz	ZTBVYTYIYHYGMR-UHFFFAOYSA-N	0	0	294.223	-0.042	50	5		CBBARN
Cn1cnc([N+](=O)[O-])c1NCCNS(C)(=O)=O	ZINC000030545843	351375693	/nfs/dbraw/zinc/37/56/93/351375693.db2.gz	SQRAWMUIOGMYEH-UHFFFAOYSA-N	0	0	263.279	-0.711	50	5		CBBARN
O=C1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCN1	ZINC000032627305	351379546	/nfs/dbraw/zinc/37/95/46/351379546.db2.gz	OUPIGHVJMVXBJQ-UHFFFAOYSA-N	0	0	285.281	-0.285	50	5		CBBARN
CC(=O)NCCC(CN1CCOCC1)([N+](=O)[O-])[N+](=O)[O-]	ZINC000019321415	351349444	/nfs/dbraw/zinc/34/94/44/351349444.db2.gz	HSVULYZOVXILFH-UHFFFAOYSA-N	0	0	290.276	-0.906	50	5		CBBARN
CCOC(=O)Cn1c(=O)c([N+](=O)[O-])c(N)n(CC)c1=O	ZINC000019899218	351352093	/nfs/dbraw/zinc/35/20/93/351352093.db2.gz	FIUFWRDSRYIMII-UHFFFAOYSA-N	0	0	286.244	-0.917	50	5		CBBARN
Nc1cc2c(=O)[nH]c(=O)c3ccc4c(=O)[nH]c(=O)c1c4c32	ZINC000023550053	351359186	/nfs/dbraw/zinc/35/91/86/351359186.db2.gz	WLGIEUDOFMFUSC-UHFFFAOYSA-N	0	0	281.227	-0.299	50	5		CBBARN
O=C(COC(=O)c1ccc([N+](=O)[O-])o1)N1CCNC1=O	ZINC000024904434	351361672	/nfs/dbraw/zinc/36/16/72/351361672.db2.gz	KTNKMCOCGBWMOT-UHFFFAOYSA-N	0	0	283.196	-0.104	50	5		CBBARN
NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H]1COCCO1	ZINC000044977121	351448911	/nfs/dbraw/zinc/44/89/11/351448911.db2.gz	ZUNDHSRRMSCXKH-MRVPVSSYSA-N	0	0	282.256	-0.084	50	5		CBBARN
CCC1(O)CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000089648141	351731749	/nfs/dbraw/zinc/73/17/49/351731749.db2.gz	LVGOOAQDQSGGAN-UHFFFAOYSA-N	0	0	254.246	-0.225	50	5		CBBARN
CC(CNCC(F)([N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]	ZINC000100859340	351781418	/nfs/dbraw/zinc/78/14/18/351781418.db2.gz	AKPZIKMQOXNKID-UHFFFAOYSA-N	0	0	285.144	-0.978	50	5		CBBARN
Cc1ccc([N+](=O)[O-])cc1N[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000101632600	351782957	/nfs/dbraw/zinc/78/29/57/351782957.db2.gz	YPSRIGRTTBFRQB-DDHJBXDOSA-N	0	0	284.268	-0.246	50	5		CBBARN
C[C@@H]1O[C@H](Nc2ccccc2[N+](=O)[O-])[C@H](O)[C@@H](O)[C@H]1O	ZINC000245380180	189917182	/nfs/dbraw/zinc/91/71/82/189917182.db2.gz	SNDWCHJOMVSETA-GHIOYOQGSA-N	0	0	284.268	-0.166	50	5		CBBARN
Cn1cc(CNC(=O)c2cc([N+](=O)[O-])n(C)n2)cn1	ZINC000095098570	184944941	/nfs/dbraw/zinc/94/49/41/184944941.db2.gz	GMDOUUSHHVWXSK-UHFFFAOYSA-N	0	0	264.245	-0.008	50	5		CBBARN
Cc1ccc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c([N+](=O)[O-])c1	ZINC000003999188	169928052	/nfs/dbraw/zinc/92/80/52/169928052.db2.gz	OKHAGBCTHFBJQD-DDHJBXDOSA-N	0	0	284.268	-0.246	50	5		CBBARN
COc1ccc(C(=O)NCC(N)=O)cc1[N+](=O)[O-]	ZINC000004699343	170001145	/nfs/dbraw/zinc/00/11/45/170001145.db2.gz	OLFKNXLDOILOJD-UHFFFAOYSA-N	0	0	253.214	-0.182	50	5		CBBARN
NC(=O)Cn1nc([N+](=O)[O-])nc1Oc1cccnc1	ZINC000004708366	170003068	/nfs/dbraw/zinc/00/30/68/170003068.db2.gz	PYYODFOGWKOPMV-UHFFFAOYSA-N	0	0	264.201	-0.141	50	5		CBBARN
C[C@@H]1O[C@H](Oc2ccc([N+](=O)[O-])cc2)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000005752332	170137063	/nfs/dbraw/zinc/13/70/63/170137063.db2.gz	YILIDCGSXCGACV-NFOQIUCISA-N	0	0	285.252	-0.199	50	5	in-vitro	CBBARN
O=[N+]([O-])c1ccccc1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O	ZINC000005847971	170146913	/nfs/dbraw/zinc/14/69/13/170146913.db2.gz	YPQCLGUTGDQYNI-DQDDRIPDSA-N	0	0	271.225	-0.587	50	5	in-vitro	CBBARN
Cc1cc([N+](=O)[O-])nn1Cc1nc(N)nc(N(C)C)n1	ZINC000006668846	170224406	/nfs/dbraw/zinc/22/44/06/170224406.db2.gz	VIPXNECJLXOAJI-UHFFFAOYSA-N	0	0	278.276	-0.019	50	5		CBBARN
CN(CC(=O)N1CCN(C)CC1)c1c([N+](=O)[O-])ncn1C	ZINC000023624374	171424756	/nfs/dbraw/zinc/42/47/56/171424756.db2.gz	JFKFNWMOHCAWOA-UHFFFAOYSA-N	0	0	296.331	-0.462	50	5		CBBARN
COC(=O)c1cc2c(cc1[N+](=O)[O-])n(C)c(=O)c(=O)n2C	ZINC000020178592	277424971	/nfs/dbraw/zinc/42/49/71/277424971.db2.gz	MCVJTJIMMMXHGN-UHFFFAOYSA-N	0	0	293.235	-0.068	50	5		CBBARN
Nc1nc(N2CCOCC2)nc(NCCO)c1[N+](=O)[O-]	ZINC000004306241	351317351	/nfs/dbraw/zinc/31/73/51/351317351.db2.gz	RMDPIONFURESRY-UHFFFAOYSA-N	0	0	284.276	-0.792	50	5		CBBARN
O=C(NCCn1cc([N+](=O)[O-])cn1)c1[nH]ncc1[N+](=O)[O-]	ZINC000013959803	351339469	/nfs/dbraw/zinc/33/94/69/351339469.db2.gz	KPMDDZFATGWRGM-UHFFFAOYSA-N	0	0	295.215	-0.147	50	5		CBBARN
Nc1nonc1C(=O)NCCNc1ncccc1[N+](=O)[O-]	ZINC000019874230	351351988	/nfs/dbraw/zinc/35/19/88/351351988.db2.gz	WGADKKZHEGLBKM-UHFFFAOYSA-N	0	0	293.243	-0.203	50	5		CBBARN
O=C(Cn1cc([N+](=O)[O-])cn1)NCCCN1CCOCC1	ZINC000019857558	351352012	/nfs/dbraw/zinc/35/20/12/351352012.db2.gz	GTGBEDQPUDDEFF-UHFFFAOYSA-N	0	0	297.315	-0.370	50	5		CBBARN
O=C(Cn1ccc([N+](=O)[O-])n1)NCCNc1ncccn1	ZINC000048300468	351471461	/nfs/dbraw/zinc/47/14/61/351471461.db2.gz	AYIGQVGLLOIRNP-UHFFFAOYSA-N	0	0	291.271	-0.190	50	5		CBBARN
COCCNC(=O)Cn1cccc([N+](=O)[O-])c1=O	ZINC000058357045	351558454	/nfs/dbraw/zinc/55/84/54/351558454.db2.gz	NDKCQVBAUAEXII-UHFFFAOYSA-N	0	0	255.230	-0.481	50	5		CBBARN
Cc1ccc(N[C@@H]2OC[C@H](O)[C@@H](O)[C@H]2O)cc1[N+](=O)[O-]	ZINC000101074915	351781926	/nfs/dbraw/zinc/78/19/26/351781926.db2.gz	ILLLCBDIMXOWNN-IRCOFANPSA-N	0	0	284.268	-0.246	50	5		CBBARN
Cc1ccc([N+](=O)[O-])cc1N[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O	ZINC000227163806	352255857	/nfs/dbraw/zinc/25/58/57/352255857.db2.gz	YPSRIGRTTBFRQB-NOOOWODRSA-N	0	0	284.268	-0.246	50	5		CBBARN
C[C@@H]1O[C@H](Oc2ccccc2[N+](=O)[O-])[C@H](O)[C@@H](O)[C@H]1O	ZINC000252012392	352376013	/nfs/dbraw/zinc/37/60/13/352376013.db2.gz	SWRPIVXPHLYETN-ZXEZZVQBSA-N	0	0	285.252	-0.199	50	5		CBBARN
COC(=O)[C@H]1C[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000412755233	353949402	/nfs/dbraw/zinc/94/94/02/353949402.db2.gz	GWZLUKHWNGPYEK-OCAPTIKFSA-N	0	0	282.256	-0.141	50	5		CBBARN
CCCn1c([N+](=O)[O-])nc2c1c(=O)[nH]c(=O)n2C	ZINC000000334531	169609620	/nfs/dbraw/zinc/60/96/20/169609620.db2.gz	QYLINZWKPKEJQQ-UHFFFAOYSA-N	0	0	253.218	-0.259	50	5		CBBARN
Cc1cc([N+](=O)[O-])nn1CC(=O)N1CCC(C(N)=O)CC1	ZINC000004754132	170012255	/nfs/dbraw/zinc/01/22/55/170012255.db2.gz	FNPKDXZACQJZRO-UHFFFAOYSA-N	0	0	295.299	-0.176	50	5		CBBARN
Nc1nc(NCCO)nc(NC[C@@H]2CCCO2)c1[N+](=O)[O-]	ZINC000005049641	170061509	/nfs/dbraw/zinc/06/15/09/170061509.db2.gz	RTXVHSBETURWIU-ZETCQYMHSA-N	0	0	298.303	-0.038	50	5		CBBARN
NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1NCCO	ZINC000005829240	170144545	/nfs/dbraw/zinc/14/45/45/170144545.db2.gz	VCLNWBVSWISOPC-UHFFFAOYSA-N	0	0	283.240	-0.359	50	5		CBBARN
O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCNC(=O)CC1	ZINC000009478644	170377771	/nfs/dbraw/zinc/37/77/71/170377771.db2.gz	WWINVUWXQSRLTP-UHFFFAOYSA-N	0	0	252.230	-0.115	50	5		CBBARN
O=[N+]([O-])c1nonc1Oc1nonc1N1CCOCC1	ZINC000012363422	170480053	/nfs/dbraw/zinc/48/00/53/170480053.db2.gz	GOBWFWUWGQYPBA-UHFFFAOYSA-N	0	0	284.188	-0.010	50	5		CBBARN
O=C(CCNc1ccc([N+](=O)[O-])cn1)NCCO	ZINC000013690430	170579269	/nfs/dbraw/zinc/57/92/69/170579269.db2.gz	QOSBCPVHQNOPDS-UHFFFAOYSA-N	0	0	254.246	-0.100	50	5		CBBARN
Cn1cc(-c2nn(CC(N)=O)cc2[N+](=O)[O-])cn1	ZINC000020428406	171193339	/nfs/dbraw/zinc/19/33/39/171193339.db2.gz	PLJHQRDOASOWPH-UHFFFAOYSA-N	0	0	250.218	-0.323	50	5		CBBARN
C[C@@H]1O[C@H](Nc2cccc([N+](=O)[O-])c2)[C@H](O)[C@@H](O)[C@H]1O	ZINC000239275066	525604372	/nfs/dbraw/zinc/60/43/72/525604372.db2.gz	BDCSZHDDKFSAHA-GHIOYOQGSA-N	0	0	284.268	-0.166	50	5		CBBARN
O=C(CCCn1cc([N+](=O)[O-])cn1)Nn1cnnc1	ZINC000001424713	230366822	/nfs/dbraw/zinc/36/68/22/230366822.db2.gz	JUUZGLGGMPYAEG-UHFFFAOYSA-N	0	0	265.233	-0.067	50	5		CBBARN
O=C1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC(=O)N1	ZINC000001311334	351302262	/nfs/dbraw/zinc/30/22/62/351302262.db2.gz	LBWNDIPOXJELLY-UHFFFAOYSA-N	0	0	299.264	-0.758	50	5		CBBARN
Nc1nc(N2CCCC2)nc(NCCO)c1[N+](=O)[O-]	ZINC000004306242	351317535	/nfs/dbraw/zinc/31/75/35/351317535.db2.gz	UMHZUYSXZXNZCO-UHFFFAOYSA-N	0	0	268.277	-0.029	50	5		CBBARN
O=[N+]([O-])c1cccc(N[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c1	ZINC000005394810	351322774	/nfs/dbraw/zinc/32/27/74/351322774.db2.gz	PJTVTWRIKMCPKR-LMLFDSFASA-N	0	0	270.241	-0.554	50	5		CBBARN
O=C(CCn1cnc([N+](=O)[O-])c1)NN1CN=NC1=S	ZINC000032795817	351381768	/nfs/dbraw/zinc/38/17/68/351381768.db2.gz	XWINUCYZKBCISF-UHFFFAOYSA-N	0	0	283.273	-0.168	50	5		CBBARN
Nc1nc(N2CCN(CCO)CC2)ncc1[N+](=O)[O-]	ZINC000062022628	351573221	/nfs/dbraw/zinc/57/32/21/351573221.db2.gz	VVRHNDNQLWAHKF-UHFFFAOYSA-N	0	0	268.277	-0.919	50	5		CBBARN
O=[N+]([O-])c1ccccc1N[C@@H]1OC[C@H](O)[C@@H](O)[C@H]1O	ZINC000101833378	351783259	/nfs/dbraw/zinc/78/32/59/351783259.db2.gz	KGPWBFBBGLVSFD-LNFKQOIKSA-N	0	0	270.241	-0.554	50	5		CBBARN
C[C@@H]1O[C@H](Oc2ccc([N+](=O)[O-])cc2)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000110339714	351798045	/nfs/dbraw/zinc/79/80/45/351798045.db2.gz	YILIDCGSXCGACV-MWAPLWLCSA-N	0	0	285.252	-0.199	50	5		CBBARN
CC(C)([C@@H]1C([N+](=O)[O-])=CNc2nnnn21)[N+](=O)[O-]	ZINC000136488898	351920838	/nfs/dbraw/zinc/92/08/38/351920838.db2.gz	IXXDMTGGAIMEEE-YFKPBYRVSA-N	0	0	255.194	-0.187	50	5		CBBARN
O=[N+]([O-])c1ccccc1N[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	ZINC000240228138	352315286	/nfs/dbraw/zinc/31/52/86/352315286.db2.gz	KGPWBFBBGLVSFD-UKKRHICBSA-N	0	0	270.241	-0.554	50	5		CBBARN
Cc1cc([N+](=O)[O-])ccc1N[C@@H]1OC[C@H](O)[C@H](O)[C@@H]1O	ZINC000239331367	189901906	/nfs/dbraw/zinc/90/19/06/189901906.db2.gz	KNHGFOSGFLWCOZ-FIQHERPVSA-N	0	0	284.268	-0.246	50	5		CBBARN
CC(=O)OCCNC(=O)c1c([N+](=O)[O-])ncn1C	ZINC000002473133	169794014	/nfs/dbraw/zinc/79/40/14/169794014.db2.gz	ATDZYVUQYRRECW-UHFFFAOYSA-N	0	0	256.218	-0.379	50	5		CBBARN
CNC(=O)c1nc(Cn2ccc([N+](=O)[O-])n2)no1	ZINC000004743348	170009537	/nfs/dbraw/zinc/00/95/37/170009537.db2.gz	RAFFACGKTNJTES-UHFFFAOYSA-N	0	0	252.190	-0.418	50	5		CBBARN
COC(=O)CS(=O)(=O)Cn1nc(C)c([N+](=O)[O-])c1C	ZINC000017022573	170721817	/nfs/dbraw/zinc/72/18/17/170721817.db2.gz	SFJGIFWVISKYGM-UHFFFAOYSA-N	0	0	291.285	-0.047	50	5		CBBARN
CN(C)C(=O)CN(C)c1ncc([N+](=O)[O-])c(N)n1	ZINC000058194261	175611014	/nfs/dbraw/zinc/61/10/14/175611014.db2.gz	ICCXUEFZMMEAJI-UHFFFAOYSA-N	0	0	254.250	-0.509	50	5		CBBARN
O=C(Cn1nccc1[N+](=O)[O-])NCC(=O)N1CCCC1	ZINC000048706020	295564502	/nfs/dbraw/zinc/56/45/02/295564502.db2.gz	JGBGEJDKHDPIAP-UHFFFAOYSA-N	0	0	281.272	-0.470	50	5		CBBARN
C[C@@H]1O[C@H](Nc2cccc([N+](=O)[O-])c2)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000239275065	525604919	/nfs/dbraw/zinc/60/49/19/525604919.db2.gz	BDCSZHDDKFSAHA-CAXGQTPXSA-N	0	0	284.268	-0.166	50	5		CBBARN
[NH3+][C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000222407323	582128779	/nfs/dbraw/zinc/12/87/79/582128779.db2.gz	LBGHYHDICSDCAH-ZCFIWIBFSA-N	0	0	289.269	-0.715	50	5		CBBARN
Cc1ccc(N[C@@H]2OC[C@H](O)[C@@H](O)[C@H]2O)c([N+](=O)[O-])c1	ZINC000101833338	656064736	/nfs/dbraw/zinc/06/47/36/656064736.db2.gz	ZEZYHXJBMLCEDJ-IRCOFANPSA-N	0	0	284.268	-0.246	50	5		CBBARN
O=[N+]([O-])c1ccc(N[C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)cc1	ZINC000239297253	656117831	/nfs/dbraw/zinc/11/78/31/656117831.db2.gz	DURMOUDVBDXBKP-NNYUYHANSA-N	0	0	284.268	-0.164	50	5		CBBARN
Cc1ncc([N+](=O)[O-])n1Cc1nc(N)nc(N(C)C)n1	ZINC000000110570	351299633	/nfs/dbraw/zinc/29/96/33/351299633.db2.gz	OEOXBORUYNCHBH-UHFFFAOYSA-N	0	0	278.276	-0.019	50	5		CBBARN
CC(=O)Cn1nc([N+](=O)[O-])nc1-c1nc([N+](=O)[O-])n[nH]1	ZINC000002262486	351308308	/nfs/dbraw/zinc/30/83/08/351308308.db2.gz	QFZOCTNNOJENTP-UHFFFAOYSA-N	0	0	282.176	-0.531	50	5		CBBARN
Cn1nccc1C(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC000002778203	351310208	/nfs/dbraw/zinc/31/02/08/351310208.db2.gz	IEXIGPKBFCJLIM-UHFFFAOYSA-N	0	0	264.245	-0.045	50	5		CBBARN
COC(=O)CNC(=O)Cn1nc(C)c([N+](=O)[O-])c1C	ZINC000002616132	351310517	/nfs/dbraw/zinc/31/05/17/351310517.db2.gz	VLTWQHPCCHUXTA-UHFFFAOYSA-N	0	0	270.245	-0.303	50	5		CBBARN
Cc1nc(NCCO)nc(NCCO)c1[N+](=O)[O-]	ZINC000003995747	351315164	/nfs/dbraw/zinc/31/51/64/351315164.db2.gz	RKLNDXHIGBINOG-UHFFFAOYSA-N	0	0	257.250	-0.498	50	5		CBBARN
CN(C)c1nc(N)c([N+](=O)[O-])c(N2CCN(C)CC2)n1	ZINC000004306017	351317829	/nfs/dbraw/zinc/31/78/29/351317829.db2.gz	RZBDWTPSGPOZRD-UHFFFAOYSA-N	0	0	281.320	-0.215	50	5		CBBARN
O=c1[nH]c2[nH]c(-c3ccc([N+](=O)[O-])o3)nc2c(=O)[nH]1	ZINC000006059096	351324017	/nfs/dbraw/zinc/32/40/17/351324017.db2.gz	NJDGWVUCBJLSNG-RXMQYKEDSA-N	0	0	263.169	-0.446	50	5		CBBARN
O=c1[nH]c2[nH]c(-c3ccc([N+](=O)[O-])o3)nc2c(=O)[nH]1	ZINC000006059098	351324284	/nfs/dbraw/zinc/32/42/84/351324284.db2.gz	NJDGWVUCBJLSNG-YFKPBYRVSA-N	0	0	263.169	-0.446	50	5		CBBARN
Cn1c(/C=C\N2CCOCC2)c([N+](=O)[O-])c(=O)n(C)c1=O	ZINC000032214156	351379429	/nfs/dbraw/zinc/37/94/29/351379429.db2.gz	OGEWMPWMXBBFAR-ARJAWSKDSA-N	0	0	296.283	-0.705	50	5		CBBARN
NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H]1COCCO1	ZINC000044977124	351448821	/nfs/dbraw/zinc/44/88/21/351448821.db2.gz	ZUNDHSRRMSCXKH-QMMMGPOBSA-N	0	0	282.256	-0.084	50	5		CBBARN
O=C(Cn1ccc([N+](=O)[O-])n1)NCCNc1cnccn1	ZINC000048276174	351469937	/nfs/dbraw/zinc/46/99/37/351469937.db2.gz	CJVYGWAQPPVIMZ-UHFFFAOYSA-N	0	0	291.271	-0.190	50	5		CBBARN
O=[N+]([O-])c1ccc(O[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)cc1	ZINC000100685617	351781553	/nfs/dbraw/zinc/78/15/53/351781553.db2.gz	MLJYKRYCCUGBBV-NAKRPEOUSA-N	0	0	271.225	-0.587	50	5		CBBARN
Cc1ccc([N+](=O)[O-])cc1N[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O	ZINC000244887861	352318185	/nfs/dbraw/zinc/31/81/85/352318185.db2.gz	YPSRIGRTTBFRQB-WRWGMCAJSA-N	0	0	284.268	-0.246	50	5		CBBARN
C[C@@H]1O[C@H](Nc2ccccc2[N+](=O)[O-])[C@H](O)[C@H](O)[C@@H]1O	ZINC000245380182	352318403	/nfs/dbraw/zinc/31/84/03/352318403.db2.gz	SNDWCHJOMVSETA-XQFKGYICSA-N	0	0	284.268	-0.166	50	5		CBBARN
O=[N+]([O-])c1cccc(N[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c1	ZINC000247905054	352349004	/nfs/dbraw/zinc/34/90/04/352349004.db2.gz	LZYBXOWFOCKWJE-UKKRHICBSA-N	0	0	270.241	-0.554	50	5		CBBARN
O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H]1CCCO1	ZINC000004744682	170010595	/nfs/dbraw/zinc/01/05/95/170010595.db2.gz	LDTGMVGOKBJMIK-ZETCQYMHSA-N	0	0	255.234	-0.519	50	5		CBBARN
Nc1ccc(S(=O)(=O)NCCO)cc1[N+](=O)[O-]	ZINC000005105640	170066833	/nfs/dbraw/zinc/06/68/33/170066833.db2.gz	UGJUJNFFXYGSNO-UHFFFAOYSA-N	0	0	261.259	-0.552	50	5		CBBARN
COC(=O)CNC(=O)COC(=O)c1ccc([N+](=O)[O-])o1	ZINC000005865789	170148541	/nfs/dbraw/zinc/14/85/41/170148541.db2.gz	XGTUCYKPKFRIBK-UHFFFAOYSA-N	0	0	286.196	-0.366	50	5		CBBARN
O=[N+]([O-])c1n[nH]c(CCc2nc([N+](=O)[O-])n[nH]2)n1	ZINC000009463685	170377493	/nfs/dbraw/zinc/37/74/93/170377493.db2.gz	JDMGPQZRRYCYJU-UHFFFAOYSA-N	0	0	254.166	-0.476	50	5		CBBARN
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCO	ZINC000010327878	170404586	/nfs/dbraw/zinc/40/45/86/170404586.db2.gz	DKAQTFLLYNUUSW-UHFFFAOYSA-N	0	0	267.241	-0.050	50	5		CBBARN
NC(=O)c1nnn(Cc2cccc([N+](=O)[O-])c2)c1N	ZINC000011847550	170446050	/nfs/dbraw/zinc/44/60/50/170446050.db2.gz	ZRXZFTAPULHDQH-UHFFFAOYSA-N	0	0	262.229	-0.084	50	5		CBBARN
CNC(=O)C1CCN(C(=O)[C@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC000044943944	175282852	/nfs/dbraw/zinc/28/28/52/175282852.db2.gz	POYZSLCLYGOHBN-DTWKUNHWSA-N	0	0	255.274	-0.364	50	5		CBBARN
CNC(=O)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC000044943941	175282882	/nfs/dbraw/zinc/28/28/82/175282882.db2.gz	POYZSLCLYGOHBN-RKDXNWHRSA-N	0	0	255.274	-0.364	50	5		CBBARN
Cc1ccc(N[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c([N+](=O)[O-])c1	ZINC000247994074	419593969	/nfs/dbraw/zinc/59/39/69/419593969.db2.gz	OKHAGBCTHFBJQD-WRWGMCAJSA-N	0	0	284.268	-0.246	50	5		CBBARN
COc1nc2c(c(OC)c1[N+](=O)[O-])c(=O)n(C)c(=O)n2C	ZINC000000340956	278086757	/nfs/dbraw/zinc/08/67/57/278086757.db2.gz	HQWSTRRVFQJFNF-UHFFFAOYSA-N	0	0	296.239	-0.442	50	5		CBBARN
O=[N+]([O-])c1ccc(N[C@@H]2O[C@H](CO)C[C@@H](O)[C@@H]2O)cc1	ZINC000101816608	656064681	/nfs/dbraw/zinc/06/46/81/656064681.db2.gz	DURMOUDVBDXBKP-WHOHXGKFSA-N	0	0	284.268	-0.164	50	5		CBBARN
Cc1ccnc(N2CC(S(N)(=O)=O)C2)c1[N+](=O)[O-]	ZINC000904217884	656324224	/nfs/dbraw/zinc/32/42/24/656324224.db2.gz	UAOGIXNCXRTDQP-UHFFFAOYSA-N	0	0	272.286	-0.225	50	5		CBBARN
CN(CC(N)=O)CC(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000047629409	282378598	/nfs/dbraw/zinc/37/85/98/282378598.db2.gz	RTORNBOLGOLMQS-UHFFFAOYSA-N	0	0	266.257	-0.050	50	5		CBBARN
Cc1[nH]c(N2CCOCC2)nc(=NN)c1[N+](=O)[O-]	ZINC000004425915	293298581	/nfs/dbraw/zinc/29/85/81/293298581.db2.gz	IZIKUXJDXSMKSW-UHFFFAOYSA-N	0	0	254.250	-0.185	50	5		CBBARN
O=[N+]([O-])c1ccccc1N[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O	ZINC000105297812	186050552	/nfs/dbraw/zinc/05/05/52/186050552.db2.gz	AVYBYOVKUDKGEY-VPOLOUISSA-N	0	0	270.241	-0.554	50	5		CBBARN
O=[N+]([O-])c1cnn(CC(O)Cn2cc([N+](=O)[O-])cn2)c1	ZINC000002323337	351308330	/nfs/dbraw/zinc/30/83/30/351308330.db2.gz	SMHDDJGZHOAXNV-UHFFFAOYSA-N	0	0	282.216	-0.043	50	5		CBBARN
Cn1c2cc3nc4[nH]c(=O)[nH]c(=O)c4nc3cc2n(C)c1=O	ZINC000003151397	351311369	/nfs/dbraw/zinc/31/13/69/351311369.db2.gz	ZLOKBPIUZAXMPQ-UHFFFAOYSA-N	0	0	298.262	-0.650	50	5		CBBARN
Cc1nc2[n-]c(N=[N+](O)O)nn2c(=O)c1[N+](=O)[O-]	ZINC000003160298	351312979	/nfs/dbraw/zinc/31/29/79/351312979.db2.gz	WYCVARKLYDDDHA-UHFFFAOYSA-N	0	0	255.150	-0.350	50	5		CBBARN
Cc1cc([N+](=O)[O-])ccc1N[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000003999214	351315581	/nfs/dbraw/zinc/31/55/81/351315581.db2.gz	NOKJZZUEVOXWAS-KKOKHZNYSA-N	0	0	284.268	-0.246	50	5		CBBARN
NS(=O)(=O)c1ccc(NCCO)c([N+](=O)[O-])c1	ZINC000004116632	351316222	/nfs/dbraw/zinc/31/62/22/351316222.db2.gz	LZNBSCBYGNCRQM-UHFFFAOYSA-N	0	0	261.259	-0.354	50	5		CBBARN
O=[N+]([O-])c1ccccc1N[C@@H]1OC[C@H](O)[C@@H](O)[C@@H]1O	ZINC000016667167	351344965	/nfs/dbraw/zinc/34/49/65/351344965.db2.gz	KGPWBFBBGLVSFD-ZRUFSTJUSA-N	0	0	270.241	-0.554	50	5		CBBARN
CC(C)n1c([N+](=O)[O-])nc2c1c(=O)[nH]c(=O)n2C	ZINC000048533359	351473880	/nfs/dbraw/zinc/47/38/80/351473880.db2.gz	DHICIFWAHKKSEV-UHFFFAOYSA-N	0	0	253.218	-0.088	50	5		CBBARN
CN(C)C(=O)CN1CCN(c2c([N+](=O)[O-])ncn2C)CC1	ZINC000057541968	351554217	/nfs/dbraw/zinc/55/42/17/351554217.db2.gz	OTGVOBKDMKYVME-UHFFFAOYSA-N	0	0	296.331	-0.462	50	5		CBBARN
Cn1c(/C=C/N2CCOCC2)c([N+](=O)[O-])c(=O)n(C)c1=O	ZINC000075261033	351666750	/nfs/dbraw/zinc/66/67/50/351666750.db2.gz	OGEWMPWMXBBFAR-ONEGZZNKSA-N	0	0	296.283	-0.705	50	5		CBBARN
CCC[C@@H](O)[C@@H](CO)NC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000424055455	354208196	/nfs/dbraw/zinc/20/81/96/354208196.db2.gz	FBJWUWKMSQNQKY-NXEZZACHSA-N	0	0	286.288	-0.571	50	5		CBBARN
Cc1cc(N2CC(O)(C(N)=O)C2)ccc1[N+](=O)[O-]	ZINC000585132684	355046443	/nfs/dbraw/zinc/04/64/43/355046443.db2.gz	LKPDNHDBDUQWIG-UHFFFAOYSA-N	0	0	251.242	-0.060	50	5		CBBARN
C[C@@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000005752331	170137130	/nfs/dbraw/zinc/13/71/30/170137130.db2.gz	YILIDCGSXCGACV-SQKFTNEHSA-N	0	0	285.252	-0.199	50	5	in-vitro	CBBARN
CCOC[C@@H](O)Cn1nc([N+](=O)[O-])nc1[N+](=O)[O-]	ZINC000016513511	170700984	/nfs/dbraw/zinc/70/09/84/170700984.db2.gz	DAXQCMQJGDZIMZ-YFKPBYRVSA-N	0	0	261.194	-0.508	50	5		CBBARN
Nc1nc(N[C@H]2CCS(=O)(=O)C2)ncc1[N+](=O)[O-]	ZINC000048545473	175436905	/nfs/dbraw/zinc/43/69/05/175436905.db2.gz	DOAXKXLBLUCIDY-YFKPBYRVSA-N	0	0	273.274	-0.434	50	5		CBBARN
CC(C)Cn1c([N+](=O)[O-])nc2c1c(=O)[nH]c(=O)n2C	ZINC000000492363	275604385	/nfs/dbraw/zinc/60/43/85/275604385.db2.gz	BLWLRMDLVBFWRZ-UHFFFAOYSA-N	0	0	267.245	-0.013	50	5		CBBARN
CCc1nc2c([nH]1)c1no[n+]([O-])c1c1no[n+]([O-])c12	ZINC000003623226	276692811	/nfs/dbraw/zinc/69/28/11/276692811.db2.gz	JCALPTOBMSSINF-UHFFFAOYSA-N	0	0	262.185	-0.326	50	5		CBBARN
NC(=O)c1cc(C(N)=O)c([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000003129777	295171405	/nfs/dbraw/zinc/17/14/05/295171405.db2.gz	CAXHNWGTTLHJQF-UHFFFAOYSA-N	0	0	254.158	-0.299	50	5		CBBARN
COC(=O)C[C@H]1C(=O)NCCN1c1ccc([N+](=O)[O-])cn1	ZINC000025370321	536348776	/nfs/dbraw/zinc/34/87/76/536348776.db2.gz	LSJWQPCQXVLLHJ-VIFPVBQESA-N	0	0	294.267	-0.142	50	5		CBBARN
CC(=O)NC1CN(C(=O)Cn2nc(C)c([N+](=O)[O-])c2C)C1	ZINC000170087999	567005591	/nfs/dbraw/zinc/00/55/91/567005591.db2.gz	ZSXIMPSMQHVYNU-UHFFFAOYSA-N	0	0	295.299	-0.245	50	5		CBBARN
CNC(=O)[N-][N+](=O)C1([N+](=O)[O-])COC(C)(C)OC1	ZINC000198207007	582126845	/nfs/dbraw/zinc/12/68/45/582126845.db2.gz	BIYKDXRMKAFEDW-UHFFFAOYSA-O	0	0	263.230	-0.635	50	5		CBBARN