smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](NCc1ncc(-c2ccccc2)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000185826461 1025965909 /nfs/dbraw/zinc/96/59/09/1025965909.db2.gz YJJWVJRNHYCQSG-CQSZACIVSA-N 0 0 334.379 3.903 10 5 EHBERN Cc1ccc([C@H]2CN(c3ccc4ncccc4c3[N+](=O)[O-])CCO2)o1 ZINC000166877713 1033638795 /nfs/dbraw/zinc/63/87/95/1033638795.db2.gz URYBJGZIOCNVAR-QGZVFWFLSA-N 0 0 339.351 3.622 10 5 EHBERN Cc1nnc([C@H](Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)[nH]1 ZINC000057840291 1037203043 /nfs/dbraw/zinc/20/30/43/1037203043.db2.gz PWGCFRLKKSWSDR-OAHLLOKOSA-N 0 0 343.774 3.876 10 5 EHBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCc1c[nH]c2ccccc12 ZINC000103377541 1037835319 /nfs/dbraw/zinc/83/53/19/1037835319.db2.gz UWUZDDVCCGLQEI-CYBMUJFWSA-N 0 0 349.390 3.987 10 5 EHBERN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC=C(c2ccccc2)CC1 ZINC000159315371 1042827090 /nfs/dbraw/zinc/82/70/90/1042827090.db2.gz JXWQJAQPHQOLCF-UHFFFAOYSA-N 0 0 326.327 3.663 10 5 EHBERN COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000008269303 201743642 /nfs/dbraw/zinc/74/36/42/201743642.db2.gz ZIALLIXWONIPIH-UHFFFAOYSA-N 0 0 340.257 3.875 10 5 EHBERN Cc1cc(Br)cn2cc(-c3cccc([N+](=O)[O-])c3)nc12 ZINC000040383950 213294745 /nfs/dbraw/zinc/29/47/45/213294745.db2.gz NQHKURAZVSINTH-UHFFFAOYSA-N 0 0 332.157 3.980 10 5 EHBERN O=[N+]([O-])c1ccccc1-n1ncc(Br)c1C(F)(F)F ZINC000020593948 202049816 /nfs/dbraw/zinc/04/98/16/202049816.db2.gz UMMSBMXAKNMBSV-UHFFFAOYSA-N 0 0 336.067 3.562 10 5 EHBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1nc(Cl)ccc1Cl ZINC000019161986 212001478 /nfs/dbraw/zinc/00/14/78/212001478.db2.gz IZBOOPWJQQCCGF-UHFFFAOYSA-N 0 0 326.139 3.857 10 5 EHBERN Cc1ccc([N+](=O)[O-])c(N2CCC(Nc3ccccc3F)CC2)n1 ZINC000178237816 1022249736 /nfs/dbraw/zinc/24/97/36/1022249736.db2.gz DGFOIWCEWJRCLA-UHFFFAOYSA-N 0 0 330.363 3.518 10 5 EHBERN CC[C@H](NC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1)c1c(C)noc1C ZINC000588440961 1022460877 /nfs/dbraw/zinc/46/08/77/1022460877.db2.gz ABAJAQFFEUTPMP-SNGWPZLWSA-N 0 0 343.383 3.870 10 5 EHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCOC2(CCCCC2)C1 ZINC000588446195 1022598343 /nfs/dbraw/zinc/59/83/43/1022598343.db2.gz WWHAZFUYQIBONZ-SQFISAMPSA-N 0 0 344.411 3.560 10 5 EHBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(Cl)cc1F ZINC000103376796 1037835031 /nfs/dbraw/zinc/83/50/31/1037835031.db2.gz MFCHYIDNXIODBY-VIFPVBQESA-N 0 0 334.734 3.979 10 5 EHBERN Cc1cc(N2CCC(Nc3ccccc3F)CC2)ncc1[N+](=O)[O-] ZINC000074766408 1039806759 /nfs/dbraw/zinc/80/67/59/1039806759.db2.gz LAWYNNZFJUNWME-UHFFFAOYSA-N 0 0 330.363 3.518 10 5 EHBERN CCCc1nc([C@H](Nc2ccc([N+](=O)[O-])cn2)c2ccccc2)no1 ZINC000301678749 1128902491 /nfs/dbraw/zinc/90/24/91/1128902491.db2.gz RUYUFCPAMZWZBX-MRXNPFEDSA-N 0 0 339.355 3.527 10 5 EHBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H]2CCCC[C@H]21 ZINC000195136527 1123167545 /nfs/dbraw/zinc/16/75/45/1123167545.db2.gz HOXHKLHDSALZBA-YVEFUNNKSA-N 0 0 327.384 3.871 10 5 EHBERN COc1cc(NCc2cccc(-c3cnn(C)c3)c2)ccc1[N+](=O)[O-] ZINC000301889509 1129260396 /nfs/dbraw/zinc/26/03/96/1129260396.db2.gz QMLHWRWWERUNBH-UHFFFAOYSA-N 0 0 338.367 3.616 10 5 EHBERN CCCNc1ncnc(Sc2cccc3cccnc32)c1[N+](=O)[O-] ZINC000040597270 202454924 /nfs/dbraw/zinc/45/49/24/202454924.db2.gz MBERBSRXDBYDOY-UHFFFAOYSA-N 0 0 341.396 3.906 10 5 EHBERN O=[N+]([O-])c1c(Cl)ncnc1Nc1ccc(OC(F)(F)F)cc1 ZINC000040571517 203424776 /nfs/dbraw/zinc/42/47/76/203424776.db2.gz STQKVIPOALIOHV-UHFFFAOYSA-N 0 0 334.641 3.680 10 5 EHBERN C[C@@H]1CCCN(Cc2c(Br)cccc2[N+](=O)[O-])[C@H]1C ZINC000725263827 563986406 /nfs/dbraw/zinc/98/64/06/563986406.db2.gz NJMNFCLTPLNUEC-MNOVXSKESA-N 0 0 327.222 3.978 10 5 EHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccnn1[C@@H](C)C1CC1 ZINC000588435628 1022228538 /nfs/dbraw/zinc/22/85/38/1022228538.db2.gz MWJBXRFPFUGLQM-HHQWOOOKSA-N 0 0 340.383 3.804 10 5 EHBERN CS[C@@H]1CCC[C@@H](NC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000588438805 1022446414 /nfs/dbraw/zinc/44/64/14/1022446414.db2.gz YDRRJFGNOMSLJT-MITIMNCUSA-N 0 0 334.441 3.789 10 5 EHBERN COc1cccc(NCc2nnc(-c3ccccc3)s2)c1[N+](=O)[O-] ZINC000185562432 1025445779 /nfs/dbraw/zinc/44/57/79/1025445779.db2.gz VCJRAFTWMSCEDX-UHFFFAOYSA-N 0 0 342.380 3.734 10 5 EHBERN C[C@@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H]2CCCC[C@H]21 ZINC000248385721 1026272876 /nfs/dbraw/zinc/27/28/76/1026272876.db2.gz JSSJRGFDZNIPTD-BTJLNZGRSA-N 0 0 327.384 3.727 10 5 EHBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCc1ccc(F)cc1 ZINC000103377085 1037834349 /nfs/dbraw/zinc/83/43/49/1037834349.db2.gz CDINRTFFHYROPS-LBPRGKRZSA-N 0 0 328.343 3.644 10 5 EHBERN CCOc1ccccc1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000103377494 1037838469 /nfs/dbraw/zinc/83/84/69/1037838469.db2.gz BMNDGPVQTGVLBC-GFCCVEGCSA-N 0 0 326.352 3.585 10 5 EHBERN Cn1cc(-c2cccc(CNc3ncc([N+](=O)[O-])cc3Cl)c2)cn1 ZINC000301898365 1129282517 /nfs/dbraw/zinc/28/25/17/1129282517.db2.gz WUKIPRBZJLYXHT-UHFFFAOYSA-N 0 0 343.774 3.656 10 5 EHBERN CC(=O)N1CC[C@H](Nc2ccccc2[N+](=O)[O-])c2ccc(F)cc2C1 ZINC000302206371 1129772839 /nfs/dbraw/zinc/77/28/39/1129772839.db2.gz WNIZNQWGQTUPHK-INIZCTEOSA-N 0 0 343.358 3.639 10 5 EHBERN CC[C@H](COC(=O)CCn1nc(C)c([N+](=O)[O-])c1C)c1ccccc1 ZINC000105774544 1135976085 /nfs/dbraw/zinc/97/60/85/1135976085.db2.gz ARMJSOSNSDAVFG-OAHLLOKOSA-N 0 0 345.399 3.535 10 5 EHBERN O=[N+]([O-])c1ccc2ccc3c4c(cc5ccc1c2c53)[C@@H](O)[C@H](O)C=C4 ZINC000027876520 202161556 /nfs/dbraw/zinc/16/15/56/202161556.db2.gz WDHBKPKURFBUFF-YLJYHZDGSA-N 0 0 331.327 3.913 10 5 EHBERN Cc1ccc(NC(=O)c2csc(Br)c2)c([N+](=O)[O-])c1 ZINC000037844672 202370665 /nfs/dbraw/zinc/37/06/65/202370665.db2.gz PLOSFIZTQMSWAU-UHFFFAOYSA-N 0 0 341.186 3.980 10 5 EHBERN C[C@H]1CCCN(Cc2c(Br)cccc2[N+](=O)[O-])[C@H]1C ZINC000725263828 563986447 /nfs/dbraw/zinc/98/64/47/563986447.db2.gz NJMNFCLTPLNUEC-QWRGUYRKSA-N 0 0 327.222 3.978 10 5 EHBERN C[C@H]1C[C@@H](c2ccncc2[N+](=O)[O-])C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000101777408 564128696 /nfs/dbraw/zinc/12/86/96/564128696.db2.gz KDQRAWAQUDEDJS-XQQFMLRXSA-N 0 0 335.404 3.787 10 5 EHBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCCc1cc2ccccc2[nH]1 ZINC000588440657 1022458478 /nfs/dbraw/zinc/45/84/78/1022458478.db2.gz DELSMLNARBWJFT-WYMLVPIESA-N 0 0 349.390 3.838 10 5 EHBERN Cc1cc(OCC2CCN(C(=O)CC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000184979916 1024002963 /nfs/dbraw/zinc/00/29/63/1024002963.db2.gz FGPOXMOXKGUYJG-UHFFFAOYSA-N 0 0 334.416 3.567 10 5 EHBERN Cc1cccc2c1OCC[C@@H]2NC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000188621527 1035380601 /nfs/dbraw/zinc/38/06/01/1035380601.db2.gz PHEGTQWXGGAOEI-HNNXBMFYSA-N 0 0 341.367 3.857 10 5 EHBERN Cc1nnc([C@@H](Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)[nH]1 ZINC000057840296 1037203553 /nfs/dbraw/zinc/20/35/53/1037203553.db2.gz PWGCFRLKKSWSDR-HNNXBMFYSA-N 0 0 343.774 3.876 10 5 EHBERN CSc1ccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)cc1 ZINC000103377168 1037833732 /nfs/dbraw/zinc/83/37/32/1037833732.db2.gz MMRTWTLMMSPGFH-LLVKDONJSA-N 0 0 328.393 3.908 10 5 EHBERN CCOc1ccc(CC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)cc1 ZINC000103377906 1037837242 /nfs/dbraw/zinc/83/72/42/1037837242.db2.gz IWUPIYNNPBMSOL-CYBMUJFWSA-N 0 0 340.379 3.514 10 5 EHBERN O=[N+]([O-])c1ccc(N2CC[C@]3(O)CCCC[C@H]3C2)cc1C(F)(F)F ZINC000301646904 1041841210 /nfs/dbraw/zinc/84/12/10/1041841210.db2.gz DGKVTEPEULSZDG-XHDPSFHLSA-N 0 0 344.333 3.745 10 5 EHBERN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(C(F)(F)F)n1 ZINC000101823063 1135400029 /nfs/dbraw/zinc/40/00/29/1135400029.db2.gz HTZIXEGLHWICGH-UHFFFAOYSA-N 0 0 325.246 3.569 10 5 EHBERN CCCN(CCc1ccccn1)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000104970074 1137879682 /nfs/dbraw/zinc/87/96/82/1137879682.db2.gz VLXBSFLFFCALEV-UHFFFAOYSA-N 0 0 342.399 3.785 10 5 EHBERN O=C(c1cc2ccccc2c2cccnc12)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000334000986 1138360067 /nfs/dbraw/zinc/36/00/67/1138360067.db2.gz RRBXOHNTRAEIPB-YESZJQIVSA-N 0 0 346.430 3.621 10 5 EHBERN Cc1nc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cs1 ZINC000187127629 1140240898 /nfs/dbraw/zinc/24/08/98/1140240898.db2.gz QJDQLRUXNNHHEV-HNNXBMFYSA-N 0 0 331.397 3.645 10 5 EHBERN COc1ccc([N+](=O)[O-])cc1-c1nc(-c2cccc(Cl)c2)n[nH]1 ZINC000072237781 203183896 /nfs/dbraw/zinc/18/38/96/203183896.db2.gz XSWISYGDLWNODL-UHFFFAOYSA-N 0 0 330.731 3.709 10 5 EHBERN COCc1cc(C)nc2sc(-c3ccc([N+](=O)[O-])cc3)c(N)c21 ZINC000000081519 563974836 /nfs/dbraw/zinc/97/48/36/563974836.db2.gz DOPRQKKMAUCLEW-UHFFFAOYSA-N 0 0 329.381 3.909 10 5 EHBERN O=C(c1ccco1)n1c2ccccc2nc1-c1cccc([N+](=O)[O-])c1 ZINC000013227924 564136147 /nfs/dbraw/zinc/13/61/47/564136147.db2.gz WZVZXSJZCCDTOH-UHFFFAOYSA-N 0 0 333.303 3.893 10 5 EHBERN Cc1cccc2c1OCC[C@@H]2NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000189955334 1016796717 /nfs/dbraw/zinc/79/67/17/1016796717.db2.gz LQUPJXCFGDNSLG-AWEZNQCLSA-N 0 0 346.770 3.810 10 5 EHBERN COC(=O)/C=C\c1ccc(NCCC[C@@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC000588457050 1023085038 /nfs/dbraw/zinc/08/50/38/1023085038.db2.gz DONBSAKYHHFGQZ-WWRUEGTHSA-N 0 0 348.399 3.542 10 5 EHBERN Cc1sc(C(=O)Nc2ccnn2-c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000183912717 1027703413 /nfs/dbraw/zinc/70/34/13/1027703413.db2.gz ZKDIZJDBJSNSCF-UHFFFAOYSA-N 0 0 346.343 3.542 10 5 EHBERN O=[N+]([O-])c1ccc(N2CCC(c3noc(C4CC4)n3)CC2)c(Cl)c1 ZINC000302160573 1129771172 /nfs/dbraw/zinc/77/11/72/1129771172.db2.gz GURDDCBGZWMUNW-UHFFFAOYSA-N 0 0 348.790 3.893 10 5 EHBERN Cc1cc(N2CCC(c3noc(C4CC4)n3)CC2)ccc1[N+](=O)[O-] ZINC000302164151 1129771337 /nfs/dbraw/zinc/77/13/37/1129771337.db2.gz IQSNPYZUGWWMTM-UHFFFAOYSA-N 0 0 328.372 3.548 10 5 EHBERN CC(C)C[C@H](C)N(C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000037984248 202077379 /nfs/dbraw/zinc/07/73/79/202077379.db2.gz XRRNOGOFVFMBHW-JTQLQIEISA-N 0 0 343.221 3.864 10 5 EHBERN COc1cc([N+](=O)[O-])ccc1NC(=O)CCc1cccc(Cl)c1 ZINC000054624960 202673460 /nfs/dbraw/zinc/67/34/60/202673460.db2.gz JNJXUQGTZHPQTR-UHFFFAOYSA-N 0 0 334.759 3.828 10 5 EHBERN Cc1csc(C2CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])CC2)n1 ZINC000102645864 1018561197 /nfs/dbraw/zinc/56/11/97/1018561197.db2.gz GMPMMBMSMXBMGL-UHFFFAOYSA-N 0 0 349.387 3.519 10 5 EHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000588435866 1022240173 /nfs/dbraw/zinc/24/01/73/1022240173.db2.gz VOFRBNQQTDSBGU-NTMALXAHSA-N 0 0 345.286 3.684 10 5 EHBERN CCSCC[C@@H](C)N(C)C(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588439210 1022446681 /nfs/dbraw/zinc/44/66/81/1022446681.db2.gz AGNKFCBXXNYPJO-WUFNSSIPSA-N 0 0 336.457 3.988 10 5 EHBERN CC[C@@H](NC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1)c1c(C)noc1C ZINC000588440954 1022460577 /nfs/dbraw/zinc/46/05/77/1022460577.db2.gz ABAJAQFFEUTPMP-BLIJAFNYSA-N 0 0 343.383 3.870 10 5 EHBERN C[C@@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)Cc1ccccc1Cl ZINC000105713062 1040838966 /nfs/dbraw/zinc/83/89/66/1040838966.db2.gz KODCEXZYBXCWKF-NSHDSACASA-N 0 0 339.800 3.924 10 5 EHBERN Cc1cc(N2CC[C@@]3(O)CCCC[C@H]3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302044647 1041898772 /nfs/dbraw/zinc/89/87/72/1041898772.db2.gz XNXMPKIUNLAMFF-LIRRHRJNSA-N 0 0 341.411 3.583 10 5 EHBERN Cc1ccc(C)c(CS(=O)(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000105712569 1137881940 /nfs/dbraw/zinc/88/19/40/1137881940.db2.gz IYIGJNOPBAIECP-CQSZACIVSA-N 0 0 333.409 3.888 10 5 EHBERN Cc1nc([C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2C)cs1 ZINC000187021328 1140233155 /nfs/dbraw/zinc/23/31/55/1140233155.db2.gz JHSPOTYTBBLTBM-HNNXBMFYSA-N 0 0 331.397 3.645 10 5 EHBERN C[C@@H](NC(=O)c1ccc(F)c([N+](=O)[O-])c1)c1ccc(Cl)s1 ZINC000037985711 202078777 /nfs/dbraw/zinc/07/87/77/202078777.db2.gz HESQIOFZZUCCFH-SSDOTTSWSA-N 0 0 328.752 3.940 10 5 EHBERN Cc1nc(NC(=O)c2ccco2)sc1Cc1cccc([N+](=O)[O-])c1 ZINC000036639512 202328430 /nfs/dbraw/zinc/32/84/30/202328430.db2.gz KLJJBNUYSGHTAL-UHFFFAOYSA-N 0 0 343.364 3.796 10 5 EHBERN O=[N+]([O-])c1ccc(-c2ccnc(N3CCc4ccccc4C3)n2)cc1 ZINC000072443401 203225911 /nfs/dbraw/zinc/22/59/11/203225911.db2.gz CUDGWNGKYRCAJA-UHFFFAOYSA-N 0 0 332.363 3.615 10 5 EHBERN O=C1N[C@H](O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c12 ZINC000006583879 560206228 /nfs/dbraw/zinc/20/62/28/560206228.db2.gz PLHXPQPLYRWYLK-LJQANCHMSA-N 0 0 327.343 3.690 10 5 in-vitro EHBERN O=C1N[C@@H](O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c12 ZINC000006583880 560206239 /nfs/dbraw/zinc/20/62/39/560206239.db2.gz PLHXPQPLYRWYLK-IBGZPJMESA-N 0 0 327.343 3.690 10 5 in-vitro EHBERN COc1c2c3c(cc4ccccc4c3c(OC)c1OC)N(C=O)CC2 ZINC000014775265 563982936 /nfs/dbraw/zinc/98/29/36/563982936.db2.gz MFDBXVVOEUJCDS-UHFFFAOYSA-N 0 0 337.375 3.538 10 5 biogenic EHBERN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCS[C@H]1c1cccnc1 ZINC000000328673 563991215 /nfs/dbraw/zinc/99/12/15/563991215.db2.gz FAHPBYLASXPYEQ-HNNXBMFYSA-N 0 0 349.799 3.531 10 5 EHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000588435264 1022216385 /nfs/dbraw/zinc/21/63/85/1022216385.db2.gz MVNAJUMJUMTOOZ-SEYXRHQNSA-N 0 0 325.368 3.703 10 5 EHBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)OCCCc1ccncc1 ZINC000588435434 1022226554 /nfs/dbraw/zinc/22/65/54/1022226554.db2.gz JHFRFWQJIJDEET-BUHFOSPRSA-N 0 0 326.352 3.569 10 5 EHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2nccnc2c1 ZINC000588437351 1022283350 /nfs/dbraw/zinc/28/33/50/1022283350.db2.gz XHLIEZONRNUYFS-BENRWUELSA-N 0 0 334.335 3.580 10 5 EHBERN CC(=O)c1ccc(OC(=O)C(C)=Cc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000588438435 1022440665 /nfs/dbraw/zinc/44/06/65/1022440665.db2.gz LZENWWYPINWEOV-LUAWRHEFSA-N 0 0 343.310 3.945 10 5 EHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCSc2ccncc21 ZINC000588440003 1022455964 /nfs/dbraw/zinc/45/59/64/1022455964.db2.gz UDVMYXCHZJOTGN-BENRWUELSA-N 0 0 341.392 3.532 10 5 EHBERN CC(C)(C)c1nc(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)cs1 ZINC000103260840 1037812015 /nfs/dbraw/zinc/81/20/15/1037812015.db2.gz GWAOBUIOYUPMGT-UHFFFAOYSA-N 0 0 343.412 3.656 10 5 EHBERN CC(C)(C)c1nc(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)cs1 ZINC000103260742 1037813010 /nfs/dbraw/zinc/81/30/10/1037813010.db2.gz LXABUGDQGCOVDD-UHFFFAOYSA-N 0 0 343.412 3.656 10 5 EHBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cc(-c2ccccc2)no1 ZINC000103375889 1037837829 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C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1ccccc1F ZINC000588435426 1022227231 /nfs/dbraw/zinc/22/72/31/1022227231.db2.gz MUPMZMLIOZFKJN-QBFSEMIESA-N 0 0 328.343 3.796 10 5 EHBERN CCO[C@@H](CCNC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000588439571 1022451262 /nfs/dbraw/zinc/45/12/62/1022451262.db2.gz MWYCFMBWSPLXND-AINHQSCGSA-N 0 0 334.416 3.566 10 5 EHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)c1ncc(C)s1 ZINC000588440180 1022453740 /nfs/dbraw/zinc/45/37/40/1022453740.db2.gz HDUWEBITRXQOOW-LUAWRHEFSA-N 0 0 345.424 3.815 10 5 EHBERN C[C@H](NCc1ncc(-c2ccccc2)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000185826444 1025966654 /nfs/dbraw/zinc/96/66/54/1025966654.db2.gz YJJWVJRNHYCQSG-AWEZNQCLSA-N 0 0 334.379 3.903 10 5 EHBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cccc2ncccc21 ZINC000103376518 1037835521 /nfs/dbraw/zinc/83/55/21/1037835521.db2.gz WOMYJSZJEKPUJH-LBPRGKRZSA-N 0 0 333.347 3.734 10 5 EHBERN C[C@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000105713784 1040839085 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C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCCc1c[nH]c2ccccc12 ZINC000588444321 1022512704 /nfs/dbraw/zinc/51/27/04/1022512704.db2.gz IRWHQFNIDAJDOW-WYMLVPIESA-N 0 0 349.390 3.838 10 5 EHBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)OCCc1scnc1C ZINC000588447089 1022621524 /nfs/dbraw/zinc/62/15/24/1022621524.db2.gz JHUXPIIZWWFXOQ-PKNBQFBNSA-N 0 0 332.381 3.549 10 5 EHBERN Cc1sc(C(=O)N2CC=C(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000074344585 1028608007 /nfs/dbraw/zinc/60/80/07/1028608007.db2.gz FRJACTNPJYUBKR-UHFFFAOYSA-N 0 0 328.393 3.894 10 5 EHBERN O=C(Nc1ccc([N+](=O)[O-])c2ncccc12)[C@H]1CCCc2cccnc21 ZINC000194878986 1123017361 /nfs/dbraw/zinc/01/73/61/1123017361.db2.gz YMTVDNSGMYBXEN-AWEZNQCLSA-N 0 0 348.362 3.597 10 5 EHBERN COc1cc(C(=O)N2CC=C(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000195454405 1123443334 /nfs/dbraw/zinc/44/33/34/1123443334.db2.gz RQCTYCQJWDPWMF-UHFFFAOYSA-N 0 0 338.363 3.533 10 5 EHBERN CC(=O)Nc1cccc([C@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000102125109 1135460755 /nfs/dbraw/zinc/46/07/55/1135460755.db2.gz GZZSLVLSWYBPEF-LBPRGKRZSA-N 0 0 342.351 3.780 10 5 EHBERN CC(C)CCNc1ncnc(N(CC(C)C)CC(C)C)c1[N+](=O)[O-] ZINC000040613970 202456212 /nfs/dbraw/zinc/45/62/12/202456212.db2.gz WFAQJUVWMFNSNL-UHFFFAOYSA-N 0 0 337.468 3.961 10 5 EHBERN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCS[C@@H]1c1cccnc1 ZINC000000328677 563991225 /nfs/dbraw/zinc/99/12/25/563991225.db2.gz FAHPBYLASXPYEQ-OAHLLOKOSA-N 0 0 349.799 3.531 10 5 EHBERN COc1cc(NC(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC ZINC000006180655 564079100 /nfs/dbraw/zinc/07/91/00/564079100.db2.gz FKPPZGGGJRVRQS-UHFFFAOYSA-N 0 0 336.731 3.518 10 5 EHBERN CCN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1 ZINC000102634812 1018564710 /nfs/dbraw/zinc/56/47/10/1018564710.db2.gz BVYCMDABEAXCLY-UHFFFAOYSA-N 0 0 327.315 3.882 10 5 EHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000588437054 1022272150 /nfs/dbraw/zinc/27/21/50/1022272150.db2.gz BGPLVRDQFOVSFM-KAMYIIQDSA-N 0 0 348.362 3.823 10 5 EHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cnc(Cl)cc1C ZINC000588440587 1022457637 /nfs/dbraw/zinc/45/76/37/1022457637.db2.gz JRNQOCWLSHCWKZ-XFFZJAGNSA-N 0 0 331.759 3.994 10 5 EHBERN O=[N+]([O-])c1ccccc1/C=C/CNCc1ncc(-c2ccccc2)cn1 ZINC000185868365 1026068150 /nfs/dbraw/zinc/06/81/50/1026068150.db2.gz OGQYDCZWCAVQBI-UXBLZVDNSA-N 0 0 346.390 3.855 10 5 EHBERN Cc1cc([N+](=O)[O-])ccc1N1CCC(c2noc(C3CC3)n2)CC1 ZINC000302185963 1129772497 /nfs/dbraw/zinc/77/24/97/1129772497.db2.gz UTMOHVYTVTXPHM-UHFFFAOYSA-N 0 0 328.372 3.548 10 5 EHBERN C[C@@H](O)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000062771396 214732044 /nfs/dbraw/zinc/73/20/44/214732044.db2.gz ZILAXCIWVYLYKK-MRVPVSSYSA-N 0 0 326.146 3.541 10 5 EHBERN CCOc1ccc(O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000021397607 202065275 /nfs/dbraw/zinc/06/52/75/202065275.db2.gz JDGQQUXPNCCESH-CYBMUJFWSA-N 0 0 344.367 3.708 10 5 EHBERN CC(C)C[C@@H](C)N(C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000037984247 202077905 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Cc1ccc([N+](=O)[O-])c(OCC2CCN(C(=O)CC(C)C)CC2)c1 ZINC000184979946 1024002204 /nfs/dbraw/zinc/00/22/04/1024002204.db2.gz QGIXQZQVANCPAC-UHFFFAOYSA-N 0 0 334.416 3.567 10 5 EHBERN C[C@H](Nc1ccc2c(c1)CN(C)C(=O)N2)c1ccc([N+](=O)[O-])cc1 ZINC000186548360 1027509634 /nfs/dbraw/zinc/50/96/34/1027509634.db2.gz YMUNIFUOMGAHAH-NSHDSACASA-N 0 0 326.356 3.745 10 5 EHBERN Cc1cnc(COC(=O)C/C=C\c2cccc(F)c2)c(C)c1[N+](=O)[O-] ZINC000588573356 1029511959 /nfs/dbraw/zinc/51/19/59/1029511959.db2.gz CPCWENDHLRVLBM-XQRVVYSFSA-N 0 0 344.342 3.892 10 5 EHBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(F)cc1Cl ZINC000103377291 1037836087 /nfs/dbraw/zinc/83/60/87/1037836087.db2.gz JLBFZEFWQVVQSM-VIFPVBQESA-N 0 0 334.734 3.979 10 5 EHBERN C[C@@H](Sc1nnc(-c2cccnc2)n1C)c1cccc([N+](=O)[O-])c1 ZINC000103675365 1037962687 /nfs/dbraw/zinc/96/26/87/1037962687.db2.gz IRXZIQQWNMEJCD-LLVKDONJSA-N 0 0 341.396 3.639 10 5 EHBERN O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)[C@@H]1CCCc2cccnc21 ZINC000194642227 1122806778 /nfs/dbraw/zinc/80/67/78/1122806778.db2.gz CCCGGPWWOOHJGG-OAHLLOKOSA-N 0 0 348.362 3.597 10 5 EHBERN Cc1ccc(-c2nc3nccc(-c4ccc(F)c([N+](=O)[O-])c4)n3n2)cc1 ZINC000072451363 203227079 /nfs/dbraw/zinc/22/70/79/203227079.db2.gz ZJNYSQAJYLGKQS-UHFFFAOYSA-N 0 0 349.325 3.814 10 5 EHBERN C[C@@H]1CCCN(Cc2c(Br)cccc2[N+](=O)[O-])[C@@H]1C ZINC000725263826 563986418 /nfs/dbraw/zinc/98/64/18/563986418.db2.gz NJMNFCLTPLNUEC-GHMZBOCLSA-N 0 0 327.222 3.978 10 5 EHBERN COc1c(C)cc(CN(C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1C ZINC000101603924 1018375819 /nfs/dbraw/zinc/37/58/19/1018375819.db2.gz NZAAOEDAEKLUSJ-UHFFFAOYSA-N 0 0 343.383 3.884 10 5 EHBERN CC(=O)c1ccc(OC(=O)C(C)=Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000588435158 1022210824 /nfs/dbraw/zinc/21/08/24/1022210824.db2.gz HODQYRXTNNEWKF-QXMHVHEDSA-N 0 0 325.320 3.806 10 5 EHBERN CC(C)(C)c1ccc(C(=O)N2CCO[C@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000046493060 1024597613 /nfs/dbraw/zinc/59/76/13/1024597613.db2.gz XZZLUVZGVODXCK-RDJZCZTQSA-N 0 0 346.427 3.676 10 5 EHBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccnc2ccccc21 ZINC000103376592 1037836948 /nfs/dbraw/zinc/83/69/48/1037836948.db2.gz PGHWWCNRKRFVIO-LBPRGKRZSA-N 0 0 333.347 3.734 10 5 EHBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCCc1cccs1 ZINC000103377886 1037837972 /nfs/dbraw/zinc/83/79/72/1037837972.db2.gz FZWYYIUWUSCDEE-LBPRGKRZSA-N 0 0 330.409 3.957 10 5 EHBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H]2CCCC[C@@H]21 ZINC000195136499 1123167240 /nfs/dbraw/zinc/16/72/40/1123167240.db2.gz HOXHKLHDSALZBA-PXAZEXFGSA-N 0 0 327.384 3.871 10 5 EHBERN CC[C@@H](COC(=O)CCn1nc(C)c([N+](=O)[O-])c1C)c1ccccc1 ZINC000105774543 1135975750 /nfs/dbraw/zinc/97/57/50/1135975750.db2.gz ARMJSOSNSDAVFG-HNNXBMFYSA-N 0 0 345.399 3.535 10 5 EHBERN Cc1ccc(NC(=O)c2nc(Cl)ccc2Cl)c([N+](=O)[O-])c1 ZINC000037976145 202072054 /nfs/dbraw/zinc/07/20/54/202072054.db2.gz YNTMOWVCOOMTNA-UHFFFAOYSA-N 0 0 326.139 3.857 10 5 EHBERN O=C1N(c2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)C1(Cl)Cl ZINC000033495412 202262716 /nfs/dbraw/zinc/26/27/16/202262716.db2.gz DCHZVKFVWLAGQN-CYBMUJFWSA-N 0 0 337.162 3.857 10 5 EHBERN C[C@H]([C@@H](Sc1ccccc1N)c1ccc(N(C)C)cc1)[N+](=O)[O-] ZINC000211871287 241085469 /nfs/dbraw/zinc/08/54/69/241085469.db2.gz MRKIGSRIGASRSP-SJKOYZFVSA-N 0 0 331.441 3.833 10 5 EHBERN C[C@@H]([C@@H](Sc1ccccc1N)c1ccc(N(C)C)cc1)[N+](=O)[O-] ZINC000211871210 241086229 /nfs/dbraw/zinc/08/62/29/241086229.db2.gz MRKIGSRIGASRSP-YVEFUNNKSA-N 0 0 331.441 3.833 10 5 EHBERN Nc1c([N+](=O)[O-])cnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl ZINC000006091235 201673627 /nfs/dbraw/zinc/67/36/27/201673627.db2.gz OVQJTYOXWVHPTA-UHFFFAOYSA-N 0 0 341.076 3.688 10 5 EHBERN Cc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)o1 ZINC000069723270 203040478 /nfs/dbraw/zinc/04/04/78/203040478.db2.gz CMGNBFQQEPPHOY-ZDUSSCGKSA-N 0 0 343.383 3.587 10 5 EHBERN CC(C)C[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000104414224 204109190 /nfs/dbraw/zinc/10/91/90/204109190.db2.gz KWWCPZOPEPFIBO-VIFPVBQESA-N 0 0 330.178 3.949 10 5 EHBERN C[C@@H](Nc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)c1cccc(Cl)c1 ZINC000097513411 219031532 /nfs/dbraw/zinc/03/15/32/219031532.db2.gz AKECBNWDZLVVBG-SECBINFHSA-N 0 0 347.758 3.752 10 5 EHBERN Cn1c(-c2ccccc2)nc2c1c(Br)ccc2[N+](=O)[O-] ZINC000584904605 563967520 /nfs/dbraw/zinc/96/75/20/563967520.db2.gz RQBDIGYMWAIYLV-UHFFFAOYSA-N 0 0 332.157 3.911 10 5 EHBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCc2cc(F)ccc21 ZINC000102636395 1018564767 /nfs/dbraw/zinc/56/47/67/1018564767.db2.gz AMDNLZNWQGAJCW-UHFFFAOYSA-N 0 0 339.326 3.808 10 5 EHBERN COc1ccc(C)cc1NC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588435788 1022232990 /nfs/dbraw/zinc/23/29/90/1022232990.db2.gz MNGFOUATEDVJGR-QBFSEMIESA-N 0 0 326.352 3.954 10 5 EHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H](C)c1ccccn1 ZINC000588437842 1022424423 /nfs/dbraw/zinc/42/44/23/1022424423.db2.gz AXYLSCQIRQSWKW-WUFNSSIPSA-N 0 0 325.368 3.613 10 5 EHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCc1ccc(Cl)nc1 ZINC000588438783 1022446800 /nfs/dbraw/zinc/44/68/00/1022446800.db2.gz TWRGPGLDQWOOEV-FLIBITNWSA-N 0 0 332.743 3.790 10 5 EHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCc1ccnc(Cl)c1 ZINC000588445188 1022534307 /nfs/dbraw/zinc/53/43/07/1022534307.db2.gz RCKPGNQPJKKFPF-FLIBITNWSA-N 0 0 332.743 3.790 10 5 EHBERN C[C@@H](Nc1ccc2c(c1)CN(C)C(=O)N2)c1cccc([N+](=O)[O-])c1 ZINC000186539265 1027496927 /nfs/dbraw/zinc/49/69/27/1027496927.db2.gz IPVQCYFIQBVIQF-LLVKDONJSA-N 0 0 326.356 3.745 10 5 EHBERN Cc1cccc2[nH]cc(CCNC(=O)c3cccc([N+](=O)[O-])c3C)c21 ZINC000103129895 1037751556 /nfs/dbraw/zinc/75/15/56/1037751556.db2.gz JOSJGPIKZHJIHT-UHFFFAOYSA-N 0 0 337.379 3.665 10 5 EHBERN CC1(C)CCCCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000408443120 1040770199 /nfs/dbraw/zinc/77/01/99/1040770199.db2.gz MKRIQTKYIJYGDW-UHFFFAOYSA-N 0 0 345.443 3.847 10 5 EHBERN O=[N+]([O-])c1c(F)cccc1NCc1nnc(-c2ccccc2)s1 ZINC000301659775 1128849732 /nfs/dbraw/zinc/84/97/32/1128849732.db2.gz TZEHJSFIYNJMPO-UHFFFAOYSA-N 0 0 330.344 3.865 10 5 EHBERN C[C@@H]1CC(=O)Oc2cc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc21 ZINC000302824084 1129794138 /nfs/dbraw/zinc/79/41/38/1129794138.db2.gz LMJKNBLIOINUHK-SECBINFHSA-N 0 0 344.279 3.708 10 5 EHBERN CC[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)s1)c1nc(C)cs1 ZINC000104605431 1137878820 /nfs/dbraw/zinc/87/88/20/1137878820.db2.gz VHCWDSQDMGIPJW-VIFPVBQESA-N 0 0 325.415 3.611 10 5 EHBERN O=[N+]([O-])c1ccc(CNc2c(F)cc(F)cc2Br)o1 ZINC000037253040 201930188 /nfs/dbraw/zinc/93/01/88/201930188.db2.gz COBVFZDAPCIVIA-UHFFFAOYSA-N 0 0 333.088 3.841 10 5 EHBERN Cc1cccc(O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000021144840 202062471 /nfs/dbraw/zinc/06/24/71/202062471.db2.gz KSVPSAYATYVBSG-NSHDSACASA-N 0 0 334.759 3.963 10 5 EHBERN O=C(Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(F)cc1 ZINC000037976167 202071410 /nfs/dbraw/zinc/07/14/10/202071410.db2.gz WTHHVEWVZFKDPU-UHFFFAOYSA-N 0 0 339.120 3.749 10 5 EHBERN CCN(CC)c1ncnc(Nc2cc(Cl)ccc2C)c1[N+](=O)[O-] ZINC000040592467 202455119 /nfs/dbraw/zinc/45/51/19/202455119.db2.gz KCDFZTHRMFPFIE-UHFFFAOYSA-N 0 0 335.795 3.936 10 5 EHBERN Cc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000005418401 201650455 /nfs/dbraw/zinc/65/04/55/201650455.db2.gz KGARISHFQICBPI-UHFFFAOYSA-N 0 0 335.157 3.918 10 5 EHBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cnc(Cl)c(Cl)c1 ZINC000008268204 210923725 /nfs/dbraw/zinc/92/37/25/210923725.db2.gz RBFPWWCUZHXISX-UHFFFAOYSA-N 0 0 326.139 3.857 10 5 EHBERN Cc1nc([C@@H]2CCCN2C(=O)Nc2cccc([N+](=O)[O-])c2)cs1 ZINC000186892877 1014523128 /nfs/dbraw/zinc/52/31/28/1014523128.db2.gz LILLVRKJTBPRCW-AWEZNQCLSA-N 0 0 332.385 3.729 10 5 EHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1cccc(F)c1 ZINC000588435336 1022220726 /nfs/dbraw/zinc/22/07/26/1022220726.db2.gz AXNRYRUFUFZIRX-RAXLEYEMSA-N 0 0 328.343 3.796 10 5 EHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCc1nc2ccccc2[nH]1 ZINC000588435527 1022233792 /nfs/dbraw/zinc/23/37/92/1022233792.db2.gz AOBPPVPHYQXHDF-BENRWUELSA-N 0 0 337.335 3.618 10 5 EHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCS[C@H](C(C)C)C1 ZINC000588446114 1022592347 /nfs/dbraw/zinc/59/23/47/1022592347.db2.gz CBDOKQHXRVTQMG-DDKJEQMHSA-N 0 0 334.441 3.598 10 5 EHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC1(O)CCCCCC1 ZINC000588530780 1026695355 /nfs/dbraw/zinc/69/53/55/1026695355.db2.gz RQTYNSXHXINUAH-SQFISAMPSA-N 0 0 346.427 3.542 10 5 EHBERN Cc1cccc2[nH]cc(CCNC(=O)c3cccc(C)c3[N+](=O)[O-])c21 ZINC000103128957 1037751615 /nfs/dbraw/zinc/75/16/15/1037751615.db2.gz UZPPZCUEMWHWMS-UHFFFAOYSA-N 0 0 337.379 3.665 10 5 EHBERN C[C@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)Cc1cccc(Cl)c1 ZINC000105712684 1040842927 /nfs/dbraw/zinc/84/29/27/1040842927.db2.gz PNHHFWLMHGBOSZ-LLVKDONJSA-N 0 0 339.800 3.924 10 5 EHBERN C[C@@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)Cc1ccc(F)c(F)c1 ZINC000105713742 1040844132 /nfs/dbraw/zinc/84/41/32/1040844132.db2.gz SUNGOBLHMZKSLI-JTQLQIEISA-N 0 0 341.335 3.549 10 5 EHBERN O=C(Nc1ccc([N+](=O)[O-])c2ncccc12)[C@@H]1CCCc2cccnc21 ZINC000194878974 1123017770 /nfs/dbraw/zinc/01/77/70/1123017770.db2.gz YMTVDNSGMYBXEN-CQSZACIVSA-N 0 0 348.362 3.597 10 5 EHBERN O=[N+]([O-])c1ccc(NCC2(c3cccc(F)c3)CCOCC2)cc1 ZINC000065587217 214968385 /nfs/dbraw/zinc/96/83/85/214968385.db2.gz QWZDVOFSVKKWSR-UHFFFAOYSA-N 0 0 330.359 3.894 10 5 EHBERN CN(Cc1ccccc1)c1ncnc(Oc2ccccc2)c1[N+](=O)[O-] ZINC000040573015 202455052 /nfs/dbraw/zinc/45/50/52/202455052.db2.gz KPLFAOZEDPIWRI-UHFFFAOYSA-N 0 0 336.351 3.814 10 5 EHBERN CC(C)CN(CC(C)C)c1ncnc(NC2CCCC2)c1[N+](=O)[O-] ZINC000040613990 202456322 /nfs/dbraw/zinc/45/63/22/202456322.db2.gz AFEYGPOCTZABPY-UHFFFAOYSA-N 0 0 335.452 3.858 10 5 EHBERN C[C@H](NC(=O)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1)c1ccco1 ZINC000035134904 201554226 /nfs/dbraw/zinc/55/42/26/201554226.db2.gz YCWUGZILCZULEY-ZETCQYMHSA-N 0 0 329.139 3.986 10 5 EHBERN COc1ccc(-c2nnc(-c3ccc(Cl)cc3)[nH]2)cc1[N+](=O)[O-] ZINC000072237716 203184416 /nfs/dbraw/zinc/18/44/16/203184416.db2.gz GGEKTQISDKNBEN-UHFFFAOYSA-N 0 0 330.731 3.709 10 5 EHBERN O=[N+]([O-])c1cccc(-c2ccnc(N3CCc4ccccc4C3)n2)c1 ZINC000072443404 203225745 /nfs/dbraw/zinc/22/57/45/203225745.db2.gz DTKVFWRFBRYNDM-UHFFFAOYSA-N 0 0 332.363 3.615 10 5 EHBERN C[C@H]1C[C@H](C)C[NH+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000675056199 564112092 /nfs/dbraw/zinc/11/20/92/564112092.db2.gz LNLNKJJVSJHXKW-QWRGUYRKSA-N 0 0 327.222 3.835 10 5 EHBERN C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000246302274 1015968925 /nfs/dbraw/zinc/96/89/25/1015968925.db2.gz FLBGVOHKQGDFSU-PSTGCABASA-N 0 0 327.384 3.869 10 5 EHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000588435864 1022239708 /nfs/dbraw/zinc/23/97/08/1022239708.db2.gz VELKMVDQBNSVLC-NTMALXAHSA-N 0 0 345.286 3.684 10 5 EHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cnc2ccccc2n1 ZINC000588439553 1022450562 /nfs/dbraw/zinc/45/05/62/1022450562.db2.gz XYKANYWBNCRNJJ-BENRWUELSA-N 0 0 334.335 3.580 10 5 EHBERN CCN(C(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1)c1nc(C)cs1 ZINC000588440755 1022458633 /nfs/dbraw/zinc/45/86/33/1022458633.db2.gz GPXUPTWEOJAHTP-LUAWRHEFSA-N 0 0 331.397 3.816 10 5 EHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H](C)c1cccc(O)c1 ZINC000588446489 1022611601 /nfs/dbraw/zinc/61/16/01/1022611601.db2.gz YPJNCBBDNQCNBB-FZDNWWAKSA-N 0 0 340.379 3.923 10 5 EHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000588447993 1022841438 /nfs/dbraw/zinc/84/14/38/1022841438.db2.gz YETGARUFOGQWNO-GLYBAGEGSA-N 0 0 345.395 3.745 10 5 EHBERN COc1cccc(NCc2ncc(-c3ccccc3)cn2)c1[N+](=O)[O-] ZINC000185727807 1025699914 /nfs/dbraw/zinc/69/99/14/1025699914.db2.gz SKMLLVBEWSWJHF-UHFFFAOYSA-N 0 0 336.351 3.673 10 5 EHBERN Cc1cccc2[nH]cc(CCNC(=O)c3cc([N+](=O)[O-])ccc3C)c21 ZINC000103128115 1037751943 /nfs/dbraw/zinc/75/19/43/1037751943.db2.gz ADPPVGSDGNSAEG-UHFFFAOYSA-N 0 0 337.379 3.665 10 5 EHBERN COc1ccccc1CCN(C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000104456006 1038378376 /nfs/dbraw/zinc/37/83/76/1038378376.db2.gz HITOCPNODILMOL-UHFFFAOYSA-N 0 0 348.786 3.572 10 5 EHBERN CCCN(CCc1ccccn1)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000104970207 1137879686 /nfs/dbraw/zinc/87/96/86/1137879686.db2.gz JSQSCPXPVMQGDJ-UHFFFAOYSA-N 0 0 342.399 3.785 10 5 EHBERN O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])C1=Cc2ccccc2OC1 ZINC000040180051 202428895 /nfs/dbraw/zinc/42/88/95/202428895.db2.gz YIFHEYGYVMJKSG-UHFFFAOYSA-N 0 0 330.727 3.663 10 5 EHBERN Cc1c([N+](=O)[O-])cc(C(=O)Oc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000040882853 202466761 /nfs/dbraw/zinc/46/67/61/202466761.db2.gz WJHSVBAFKCXHHR-UHFFFAOYSA-N 0 0 336.687 3.684 10 5 EHBERN CCN(CC)c1ncnc(Nc2cccc3ncccc32)c1[N+](=O)[O-] ZINC000040608170 202455281 /nfs/dbraw/zinc/45/52/81/202455281.db2.gz CVDRFAZHAAWJPB-UHFFFAOYSA-N 0 0 338.371 3.523 10 5 EHBERN C[C@@H]([C@H](Sc1ccccc1N)c1ccc(N(C)C)cc1)[N+](=O)[O-] ZINC000211871054 241086536 /nfs/dbraw/zinc/08/65/36/241086536.db2.gz MRKIGSRIGASRSP-SJCJKPOMSA-N 0 0 331.441 3.833 10 5 EHBERN CC(C)(C)OC(=O)NCCCCCC(=O)c1ccccc1[N+](=O)[O-] ZINC000536955950 563932778 /nfs/dbraw/zinc/93/27/78/563932778.db2.gz WHBDOEMKGLPAED-UHFFFAOYSA-N 0 0 336.388 3.863 10 5 EHBERN O=C(NCc1ccc(F)c(Cl)c1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000101682797 1018391372 /nfs/dbraw/zinc/39/13/72/1018391372.db2.gz DTGLVDMGAQEVJB-UHFFFAOYSA-N 0 0 347.733 3.799 10 5 EHBERN COc1cc(NC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)cc(OC)c1 ZINC000588435816 1022237627 /nfs/dbraw/zinc/23/76/27/1022237627.db2.gz TZALZRHHBCYHEU-WQLSENKSSA-N 0 0 342.351 3.654 10 5 EHBERN COc1cc(F)c(NC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)cc1F ZINC000588440307 1022453783 /nfs/dbraw/zinc/45/37/83/1022453783.db2.gz AEBIDBJBAFAWTC-YFHOEESVSA-N 0 0 348.305 3.924 10 5 EHBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CSc1ccccc1 ZINC000103377825 1037835354 /nfs/dbraw/zinc/83/53/54/1037835354.db2.gz JVXROYVXYWNZBJ-GFCCVEGCSA-N 0 0 328.393 3.665 10 5 EHBERN COc1cc(Cl)ccc1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000103375479 1037837114 /nfs/dbraw/zinc/83/71/14/1037837114.db2.gz LXKXVMCWIXYCMT-SNVBAGLBSA-N 0 0 346.770 3.848 10 5 EHBERN O=[N+]([O-])c1ccccc1NCC1(c2cccc(F)c2)CCOCC1 ZINC000054981705 214262664 /nfs/dbraw/zinc/26/26/64/214262664.db2.gz FULASSJALAKKDM-UHFFFAOYSA-N 0 0 330.359 3.894 10 5 EHBERN CC[N+](CC)(CC)CCOc1ccc(C(=O)c2ccccc2)c([O-])c1 ZINC000033608042 202267869 /nfs/dbraw/zinc/26/78/69/202267869.db2.gz WQEYRKGEQDLGRQ-UHFFFAOYSA-O 0 0 342.459 3.879 10 5 EHBERN C[C@H]([C@H](Sc1ccccc1N)c1ccc(N(C)C)cc1)[N+](=O)[O-] ZINC000211871130 241086052 /nfs/dbraw/zinc/08/60/52/241086052.db2.gz MRKIGSRIGASRSP-PXAZEXFGSA-N 0 0 331.441 3.833 10 5 EHBERN Cc1nc(-c2ccccc2)ccc1C(=O)Nc1ccc([N+](=O)[O-])cn1 ZINC000069819337 203055392 /nfs/dbraw/zinc/05/53/92/203055392.db2.gz FJWYTVXKCHLBLN-UHFFFAOYSA-N 0 0 334.335 3.613 10 5 EHBERN Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(C)c1 ZINC000103177763 204064311 /nfs/dbraw/zinc/06/43/11/204064311.db2.gz WZJMHIIQSPNXBD-UHFFFAOYSA-N 0 0 340.788 3.666 10 5 EHBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000005540773 206504809 /nfs/dbraw/zinc/50/48/09/206504809.db2.gz WREIIBWFDOXKSD-UHFFFAOYSA-N 0 0 335.703 3.717 10 5 EHBERN CCc1ccc(Oc2ncnc(N3CCC(C)CC3)c2[N+](=O)[O-])cc1 ZINC000040613016 132405293 /nfs/dbraw/zinc/40/52/93/132405293.db2.gz CGNVODOBDCGAGN-UHFFFAOYSA-N 0 0 342.399 3.976 10 5 EHBERN COc1ccc2c(cc3c4c(cc5c(c24)OCO5)CCN3C)c1OC ZINC000005966911 537029440 /nfs/dbraw/zinc/02/94/40/537029440.db2.gz HCKFFNXOLCSPAI-UHFFFAOYSA-N 0 0 337.375 3.731 10 5 biogenic EHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1cc(Cl)cn1C ZINC000588440447 1022457954 /nfs/dbraw/zinc/45/79/54/1022457954.db2.gz WJQYVNAETYZSCN-WQLSENKSSA-N 0 0 347.802 3.649 10 5 EHBERN CCOc1ccc(CC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)cc1 ZINC000103377904 1037833751 /nfs/dbraw/zinc/83/37/51/1037833751.db2.gz IWUPIYNNPBMSOL-ZDUSSCGKSA-N 0 0 340.379 3.514 10 5 EHBERN CCSc1cc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)ccn1 ZINC000103375093 1037833763 /nfs/dbraw/zinc/83/37/63/1037833763.db2.gz OBMQFWLOWPBORS-NSHDSACASA-N 0 0 343.408 3.693 10 5 EHBERN C[C@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)Cc1ccc(F)c(F)c1 ZINC000105713744 1040839726 /nfs/dbraw/zinc/83/97/26/1040839726.db2.gz SUNGOBLHMZKSLI-SNVBAGLBSA-N 0 0 341.335 3.549 10 5 EHBERN COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C\c1ccccc1Cl ZINC000004459412 1041896397 /nfs/dbraw/zinc/89/63/97/1041896397.db2.gz QJBWEGDFAINZMO-TWGQIWQCSA-N 0 0 332.743 3.909 10 5 EHBERN O=[N+]([O-])c1c(NCc2ccc(F)cc2)ncnc1N1CCCCCC1 ZINC000040610134 213357387 /nfs/dbraw/zinc/35/73/87/213357387.db2.gz UZWKDMYVERKTOZ-UHFFFAOYSA-N 0 0 345.378 3.516 10 5 EHBERN CCNc1ncnc(Nc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] ZINC000040596374 213356349 /nfs/dbraw/zinc/35/63/49/213356349.db2.gz JDBTZYMGQFSGBL-UHFFFAOYSA-N 0 0 328.159 3.867 10 5 EHBERN O=[N+]([O-])c1c(OC2CCCCC2)ncnc1N1CCc2ccccc21 ZINC000040586259 213355503 /nfs/dbraw/zinc/35/55/03/213355503.db2.gz HKMQYDCYLSLDTE-UHFFFAOYSA-N 0 0 340.383 3.791 10 5 EHBERN COc1cc2cc(CO)c3cc(OC)c(OC)cc3c2cc1OC ZINC000137306747 564128782 /nfs/dbraw/zinc/12/87/82/564128782.db2.gz NXODKZZQPOLNOO-UHFFFAOYSA-N 0 0 328.364 3.520 10 5 EHBERN COc1c(C)cc(CN(C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1C ZINC000101603929 1018376586 /nfs/dbraw/zinc/37/65/86/1018376586.db2.gz HVGLUBNZZZUGJQ-UHFFFAOYSA-N 0 0 343.383 3.884 10 5 EHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1c1cccn1C ZINC000588443731 1022474240 /nfs/dbraw/zinc/47/42/40/1022474240.db2.gz AYXJVDHWVULHBA-HWOXTHGCSA-N 0 0 339.395 3.700 10 5 EHBERN Cc1ccc([C@@H]2CN(Cc3ccc(Cl)cc3[N+](=O)[O-])CCO2)o1 ZINC000158597986 1026696785 /nfs/dbraw/zinc/69/67/85/1026696785.db2.gz QNPKHHNUDTWGLQ-INIZCTEOSA-N 0 0 336.775 3.723 10 5 EHBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(OC(F)F)cc1 ZINC000103376660 1037835139 /nfs/dbraw/zinc/83/51/39/1037835139.db2.gz UEKJQWLELWYUAF-JTQLQIEISA-N 0 0 348.305 3.788 10 5 EHBERN CCOc1ccccc1CS(=O)(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000105712703 1040839014 /nfs/dbraw/zinc/83/90/14/1040839014.db2.gz YNOBFNRCQFEOOS-CYBMUJFWSA-N 0 0 349.408 3.670 10 5 EHBERN CC(=O)N1CC[C@@H](Nc2ccccc2[N+](=O)[O-])c2ccc(F)cc2C1 ZINC000302206372 1129772845 /nfs/dbraw/zinc/77/28/45/1129772845.db2.gz WNIZNQWGQTUPHK-MRXNPFEDSA-N 0 0 343.358 3.639 10 5 EHBERN CCC[C@@H](OC(=O)CCn1nc(C)c([N+](=O)[O-])c1C)c1ccccc1 ZINC000102597895 1135595353 /nfs/dbraw/zinc/59/53/53/1135595353.db2.gz YZWFCOIBHWLVJI-MRXNPFEDSA-N 0 0 345.399 3.883 10 5 EHBERN Cc1ccc(C)c(CS(=O)(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000105712567 1137881880 /nfs/dbraw/zinc/88/18/80/1137881880.db2.gz IYIGJNOPBAIECP-AWEZNQCLSA-N 0 0 333.409 3.888 10 5 EHBERN COc1ccccc1Oc1ncnc(NC2CCCC2)c1[N+](=O)[O-] ZINC000040661144 213365031 /nfs/dbraw/zinc/36/50/31/213365031.db2.gz UFIDQUYVAUGVTK-UHFFFAOYSA-N 0 0 330.344 3.540 10 5 EHBERN CC(C)Nc1ncnc(Nc2ccccc2C(F)(F)F)c1[N+](=O)[O-] ZINC000040588614 213354802 /nfs/dbraw/zinc/35/48/02/213354802.db2.gz GKOVKZQTFAYYTH-UHFFFAOYSA-N 0 0 341.293 3.968 10 5 EHBERN COc1ccc(-c2ccc(C(=O)Nc3ccccn3)o2)c([N+](=O)[O-])c1 ZINC000040374512 213293024 /nfs/dbraw/zinc/29/30/24/213293024.db2.gz SRCWGSFRTKPJIA-UHFFFAOYSA-N 0 0 339.307 3.511 10 5 EHBERN C[C@@H](NC(=O)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1)c1ccco1 ZINC000035134905 213008886 /nfs/dbraw/zinc/00/88/86/213008886.db2.gz YCWUGZILCZULEY-SSDOTTSWSA-N 0 0 329.139 3.986 10 5 EHBERN C[C@H](NCc1ccc(Br)c([N+](=O)[O-])c1)c1ccco1 ZINC000035012589 213002979 /nfs/dbraw/zinc/00/29/79/213002979.db2.gz SDCROCBBQQOYKW-VIFPVBQESA-N 0 0 325.162 3.801 10 5 EHBERN CCc1nnc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)s1 ZINC000000097714 258047453 /nfs/dbraw/zinc/04/74/53/258047453.db2.gz SBUNFDGBNIHSPI-UHFFFAOYSA-N 0 0 344.352 3.521 10 5 EHBERN O=C(c1ccc([N+](=O)[O-])s1)N1CC=C(c2ccccc2F)CC1 ZINC000186132351 1026256543 /nfs/dbraw/zinc/25/65/43/1026256543.db2.gz NUXHJHSYEPMXTN-UHFFFAOYSA-N 0 0 332.356 3.725 10 5 EHBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cnc(C(C)(C)C)s1 ZINC000103374879 1037834301 /nfs/dbraw/zinc/83/43/01/1037834301.db2.gz DHRJSAZKJBCNRN-SNVBAGLBSA-N 0 0 345.424 3.940 10 5 EHBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1cnc(C(C)(C)C)s1 ZINC000103374881 1037835234 /nfs/dbraw/zinc/83/52/34/1037835234.db2.gz DHRJSAZKJBCNRN-JTQLQIEISA-N 0 0 345.424 3.940 10 5 EHBERN COc1ccc(Cl)cc1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000103377892 1037838014 /nfs/dbraw/zinc/83/80/14/1037838014.db2.gz VVTOAQLIKQTTDN-SNVBAGLBSA-N 0 0 346.770 3.848 10 5 EHBERN CC(C)c1ccc(NC(=O)COc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000003572498 1132666907 /nfs/dbraw/zinc/66/69/07/1132666907.db2.gz DYBNPTZMRREUAS-UHFFFAOYSA-N 0 0 332.331 3.875 10 5 EHBERN CCOc1ccc(OC)cc1NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000104462090 1137878465 /nfs/dbraw/zinc/87/84/65/1137878465.db2.gz IGRCDKVMWIKVAT-UHFFFAOYSA-N 0 0 336.369 3.624 10 5 EHBERN O=C(c1cc2ccccc2c2cccnc12)N1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000334000983 1138359773 /nfs/dbraw/zinc/35/97/73/1138359773.db2.gz RRBXOHNTRAEIPB-BBWFWOEESA-N 0 0 346.430 3.621 10 5 EHBERN Cc1nc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2C)cs1 ZINC000187046564 1140234759 /nfs/dbraw/zinc/23/47/59/1140234759.db2.gz DZAPMECJAGTISQ-HNNXBMFYSA-N 0 0 331.397 3.645 10 5 EHBERN CN1c2cc(Cl)ccc2N=C(c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000100898205 219111075 /nfs/dbraw/zinc/11/10/75/219111075.db2.gz HQQGVSYEMGIPNH-UHFFFAOYSA-N 0 0 329.743 3.736 10 5 EHBERN COc1ccccc1Oc1ncnc(Oc2ccccc2)c1[N+](=O)[O-] ZINC000040659761 213365404 /nfs/dbraw/zinc/36/54/04/213365404.db2.gz RQHXFCSSHQFSPE-UHFFFAOYSA-N 0 0 339.307 3.978 10 5 EHBERN COc1ccccc1Nc1ncnc(Nc2ccccc2)c1[N+](=O)[O-] ZINC000040647873 213363867 /nfs/dbraw/zinc/36/38/67/213363867.db2.gz WNQBCBGJCONBMP-UHFFFAOYSA-N 0 0 337.339 3.881 10 5 EHBERN COc1ccc(Nc2ncnc(Nc3ccccc3)c2[N+](=O)[O-])cc1 ZINC000040647883 213363566 /nfs/dbraw/zinc/36/35/66/213363566.db2.gz JLTGBOFEIZGJQP-UHFFFAOYSA-N 0 0 337.339 3.881 10 5 EHBERN CCN(CC)c1ncnc(Nc2ccc(F)c(Cl)c2)c1[N+](=O)[O-] ZINC000040608178 213357722 /nfs/dbraw/zinc/35/77/22/213357722.db2.gz CRDUITLFMIROFD-UHFFFAOYSA-N 0 0 339.758 3.767 10 5 EHBERN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[C@@H](c2ccncc2[N+](=O)[O-])C1 ZINC000087493459 564070316 /nfs/dbraw/zinc/07/03/16/564070316.db2.gz KDQRAWAQUDEDJS-RWMBFGLXSA-N 0 0 335.404 3.787 10 5 EHBERN COc1ccccc1CN(C)C(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588435323 1022217737 /nfs/dbraw/zinc/21/77/37/1022217737.db2.gz AEERFDXPOYCCCH-OWBHPGMISA-N 0 0 340.379 3.665 10 5 EHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000588435827 1022237921 /nfs/dbraw/zinc/23/79/21/1022237921.db2.gz GIOGDDBUTJLZSB-KHPPLWFESA-N 0 0 341.323 3.853 10 5 EHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1N(C)C ZINC000588436850 1022264661 /nfs/dbraw/zinc/26/46/61/1022264661.db2.gz WDZGOOFHTKGRCT-SEYXRHQNSA-N 0 0 325.368 3.703 10 5 EHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H](C)c1ccccn1 ZINC000588437841 1022424218 /nfs/dbraw/zinc/42/42/18/1022424218.db2.gz AXYLSCQIRQSWKW-DINCDJDBSA-N 0 0 325.368 3.613 10 5 EHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C)c(O)c1C ZINC000588446505 1022610970 /nfs/dbraw/zinc/61/09/70/1022610970.db2.gz JOGWOXHXLUYMAS-BENRWUELSA-N 0 0 326.352 3.959 10 5 EHBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc2ncccc2c1 ZINC000103374795 1037838036 /nfs/dbraw/zinc/83/80/36/1037838036.db2.gz DPESAUHAVCYCAJ-LBPRGKRZSA-N 0 0 333.347 3.734 10 5 EHBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(OC(F)F)cc1 ZINC000103376658 1037838664 /nfs/dbraw/zinc/83/86/64/1037838664.db2.gz UEKJQWLELWYUAF-SNVBAGLBSA-N 0 0 348.305 3.788 10 5 EHBERN C[C@@H]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000158329287 1038095929 /nfs/dbraw/zinc/09/59/29/1038095929.db2.gz LBNCYQXDEBGOCW-CABCVRRESA-N 0 0 345.443 3.703 10 5 EHBERN CCCc1nc([C@@H](Nc2ncccc2[N+](=O)[O-])c2ccccc2)no1 ZINC000301649883 1128821988 /nfs/dbraw/zinc/82/19/88/1128821988.db2.gz FXZPDWUSIMYTEA-HNNXBMFYSA-N 0 0 339.355 3.527 10 5 EHBERN C[C@H](OC(=O)c1cc2c(s1)CCOC2)c1ccc([N+](=O)[O-])cc1 ZINC000103336671 1132818083 /nfs/dbraw/zinc/81/80/83/1132818083.db2.gz SDRQACVJZHDNMO-JTQLQIEISA-N 0 0 333.365 3.647 10 5 EHBERN O=[N+]([O-])c1c(NCc2ccc(F)cc2)ncnc1Oc1ccccc1 ZINC000040659735 213365516 /nfs/dbraw/zinc/36/55/16/213365516.db2.gz VOBYJLVKRDOPKC-UHFFFAOYSA-N 0 0 340.314 3.928 10 5 EHBERN Cc1ccc(Nc2ncnc(Nc3cccnc3)c2[N+](=O)[O-])c(C)c1 ZINC000040620975 213358956 /nfs/dbraw/zinc/35/89/56/213358956.db2.gz NBNNKPNEHSGHDB-UHFFFAOYSA-N 0 0 336.355 3.884 10 5 EHBERN COc1ccccc1Nc1ncnc(NC2CCCCC2)c1[N+](=O)[O-] ZINC000040598127 213357206 /nfs/dbraw/zinc/35/72/06/213357206.db2.gz NBCTVVZFICHQHN-UHFFFAOYSA-N 0 0 343.387 3.882 10 5 EHBERN Cc1cc(C)n(-c2ncnc(Nc3cc(C)ccc3C)c2[N+](=O)[O-])n1 ZINC000040592421 213356887 /nfs/dbraw/zinc/35/68/87/213356887.db2.gz GLZKDPPSIJBYBW-UHFFFAOYSA-N 0 0 338.371 3.548 10 5 EHBERN CCCNc1ncnc(Nc2ccc(F)c(Cl)c2)c1[N+](=O)[O-] ZINC000040597114 213356127 /nfs/dbraw/zinc/35/61/27/213356127.db2.gz YYHRWNNUNOAYFS-UHFFFAOYSA-N 0 0 325.731 3.743 10 5 EHBERN CN(Cc1ccccc1)c1ncnc(N(C)c2ccccc2)c1[N+](=O)[O-] ZINC000040572837 213352721 /nfs/dbraw/zinc/35/27/21/213352721.db2.gz IBYDNGTYSHZKRE-UHFFFAOYSA-N 0 0 349.394 3.789 10 5 EHBERN Cc1ccc(NC(=O)c2cc(Cl)nc(Cl)c2)c([N+](=O)[O-])c1 ZINC000037976144 213178560 /nfs/dbraw/zinc/17/85/60/213178560.db2.gz CEXIIRMIQUGMHU-UHFFFAOYSA-N 0 0 326.139 3.857 10 5 EHBERN O=[N+]([O-])c1cccc(OCc2nnc(-c3ccc(Cl)cc3)[nH]2)c1 ZINC000072236763 216076824 /nfs/dbraw/zinc/07/68/24/216076824.db2.gz WGKOCAMTXJPZEG-UHFFFAOYSA-N 0 0 330.731 3.612 10 5 EHBERN CCN(CC(F)(F)F)c1ccc(Br)cc1[N+](=O)[O-] ZINC000042801676 213534723 /nfs/dbraw/zinc/53/47/23/213534723.db2.gz NIGILLOSBFCPMQ-UHFFFAOYSA-N 0 0 327.100 3.746 10 5 EHBERN CCOc1ccccc1/C=C/C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000019162381 212002054 /nfs/dbraw/zinc/00/20/54/212002054.db2.gz YXJQIIKPEVVFJR-DHZHZOJOSA-N 0 0 326.352 3.954 10 5 EHBERN CC(=O)Nc1ccc(OC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)cc1 ZINC000588435541 1022235929 /nfs/dbraw/zinc/23/59/29/1022235929.db2.gz GZNNQKIVZPALOH-QXMHVHEDSA-N 0 0 340.335 3.562 10 5 EHBERN CCc1nc(COC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)cs1 ZINC000588438318 1022435862 /nfs/dbraw/zinc/43/58/62/1022435862.db2.gz FYABLXJTRYFZIK-FLIBITNWSA-N 0 0 332.381 3.760 10 5 EHBERN O=[N+]([O-])c1ccccc1/C=C\CNc1cccc2c1OCC[C@H]2O ZINC000588471333 1023691002 /nfs/dbraw/zinc/69/10/02/1023691002.db2.gz YRADRSGUXXPLGH-XQDHMALISA-N 0 0 326.352 3.536 10 5 EHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cnn([C@@H](C)C2CC2)c1 ZINC000588524857 1026422703 /nfs/dbraw/zinc/42/27/03/1026422703.db2.gz NJBWSZFRPXTNJP-SUIFULHWSA-N 0 0 340.383 3.804 10 5 EHBERN Cc1ccnc(N2CCC(Nc3ccccc3F)CC2)c1[N+](=O)[O-] ZINC000078370392 1027745628 /nfs/dbraw/zinc/74/56/28/1027745628.db2.gz KUVWLHUHSGENBF-UHFFFAOYSA-N 0 0 330.363 3.518 10 5 EHBERN Cn1cnc(-c2cccc(NCc3ccc(Cl)c([N+](=O)[O-])c3)c2)n1 ZINC000153594606 1028267863 /nfs/dbraw/zinc/26/78/63/1028267863.db2.gz WTGDXCASLYVVQT-UHFFFAOYSA-N 0 0 343.774 3.656 10 5 EHBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCCc1cccs1 ZINC000103377885 1037835070 /nfs/dbraw/zinc/83/50/70/1037835070.db2.gz FZWYYIUWUSCDEE-GFCCVEGCSA-N 0 0 330.409 3.957 10 5 EHBERN COc1ccc(OC)c([C@@H](C)NCc2c(F)cccc2[N+](=O)[O-])c1 ZINC000103465405 1037899967 /nfs/dbraw/zinc/89/99/67/1037899967.db2.gz KNPSFPMZXFLPKY-LLVKDONJSA-N 0 0 334.347 3.602 10 5 EHBERN C[C@H](Sc1nnc(-c2ccncc2)o1)c1cccc([N+](=O)[O-])c1 ZINC000103549864 1037922393 /nfs/dbraw/zinc/92/23/93/1037922393.db2.gz VLQQSULBKKVFOM-JTQLQIEISA-N 0 0 328.353 3.893 10 5 EHBERN COc1c(C)cc(CN(C)C(=O)c2cc(F)ccc2[N+](=O)[O-])cc1C ZINC000101529600 1135348194 /nfs/dbraw/zinc/34/81/94/1135348194.db2.gz AJEXOEGCGIRCKC-UHFFFAOYSA-N 0 0 346.358 3.632 10 5 EHBERN Cc1cc(C)cc(CS(=O)(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000105712794 1137881928 /nfs/dbraw/zinc/88/19/28/1137881928.db2.gz OTPXJJLKWCWSHU-AWEZNQCLSA-N 0 0 333.409 3.888 10 5 EHBERN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1nc2c(cccc2F)s1 ZINC000004331549 210172590 /nfs/dbraw/zinc/17/25/90/210172590.db2.gz OUPGFWWLPWUSKQ-BQYQJAHWSA-N 0 0 343.339 3.996 10 5 EHBERN CCCCN(C)c1ncnc(N(CC(C)C)CC(C)C)c1[N+](=O)[O-] ZINC000040611980 213358326 /nfs/dbraw/zinc/35/83/26/213358326.db2.gz MICIGAAWTSUOHK-UHFFFAOYSA-N 0 0 337.468 3.740 10 5 EHBERN CN(c1ccccc1)c1ncnc(N(C)c2ccccc2)c1[N+](=O)[O-] ZINC000040625262 213360963 /nfs/dbraw/zinc/36/09/63/213360963.db2.gz RQYJLRLCUNKDFH-UHFFFAOYSA-N 0 0 335.367 3.921 10 5 EHBERN CCN(c1ccccc1)c1ncnc(NC2CCCC2)c1[N+](=O)[O-] ZINC000040573575 213352644 /nfs/dbraw/zinc/35/26/44/213352644.db2.gz FPYVUMBICMPHAK-UHFFFAOYSA-N 0 0 327.388 3.897 10 5 EHBERN COc1ccc2c(c1)NC(=O)CC(/C=C/c1cccc([N+](=O)[O-])c1)=N2 ZINC000072236423 216076712 /nfs/dbraw/zinc/07/67/12/216076712.db2.gz JRIVOHDARAHOBI-AATRIKPKSA-N 0 0 337.335 3.732 10 5 EHBERN CCOc1ccc(O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000021397602 212222860 /nfs/dbraw/zinc/22/28/60/212222860.db2.gz JDGQQUXPNCCESH-ZDUSSCGKSA-N 0 0 344.367 3.708 10 5 EHBERN CCc1cccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000021125518 212209715 /nfs/dbraw/zinc/20/97/15/212209715.db2.gz QHHBCNLCSGFFOO-UHFFFAOYSA-N 0 0 334.759 3.828 10 5 EHBERN Cc1c(C)c(=O)oc2cc(OCc3cccc([N+](=O)[O-])c3)ccc12 ZINC000013835590 211649294 /nfs/dbraw/zinc/64/92/94/211649294.db2.gz LJJMTUBXYXGLKI-UHFFFAOYSA-N 0 0 325.320 3.897 10 5 EHBERN O=C(Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1F ZINC000005583789 210494737 /nfs/dbraw/zinc/49/47/37/210494737.db2.gz ZPEHHGBZOSEKJB-UHFFFAOYSA-N 0 0 339.120 3.749 10 5 EHBERN CN1Cc2cc(NCc3ccc([N+](=O)[O-])cc3Cl)ccc2NC1=O ZINC000187481192 1022204320 /nfs/dbraw/zinc/20/43/20/1022204320.db2.gz WECIQVUZIBCVBY-UHFFFAOYSA-N 0 0 346.774 3.838 10 5 EHBERN CCO[C@H](CCNC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000588439572 1022450570 /nfs/dbraw/zinc/45/05/70/1022450570.db2.gz MWYCFMBWSPLXND-BHEFUSTPSA-N 0 0 334.416 3.566 10 5 EHBERN CS[C@@H]1CCCCN(C(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000588440504 1022457544 /nfs/dbraw/zinc/45/75/44/1022457544.db2.gz KFCXAPHWYYRDNX-DVFVSVACSA-N 0 0 334.441 3.742 10 5 EHBERN O=[N+]([O-])c1ccccc1/C=C\CNc1cccc2c1OCC[C@@H]2O 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PBRSDAJOKGPDLA-UHFFFAOYSA-N 0 0 328.372 3.548 10 5 EHBERN CC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2C1 ZINC000302197990 1129772711 /nfs/dbraw/zinc/77/27/11/1129772711.db2.gz PUGQYMVNJCRPCF-SFHVURJKSA-N 0 0 343.358 3.639 10 5 EHBERN O=C(Nc1ccccc1)C1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000302826182 1129794194 /nfs/dbraw/zinc/79/41/94/1129794194.db2.gz AJRKXOPNTNUZOB-UHFFFAOYSA-N 0 0 343.358 3.589 10 5 EHBERN CC[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1nc(C)cs1 ZINC000104608326 1137878793 /nfs/dbraw/zinc/87/87/93/1137878793.db2.gz ALCLICWETZUQRK-ZDUSSCGKSA-N 0 0 344.396 3.722 10 5 EHBERN C[C@@H]1CCCC[C@@H]1N(C)c1ncc(Br)cc1[N+](=O)[O-] ZINC000042613743 213518631 /nfs/dbraw/zinc/51/86/31/213518631.db2.gz XYQWPMZJDVYDAL-KOLCDFICSA-N 0 0 328.210 3.767 10 5 EHBERN CC(C)(C)Nc1ncnc(Nc2cccc3ncccc32)c1[N+](=O)[O-] ZINC000040581836 213353947 /nfs/dbraw/zinc/35/39/47/213353947.db2.gz BNGTXIHOXDZLDN-UHFFFAOYSA-N 0 0 338.371 3.887 10 5 EHBERN CCCNc1ncnc(Oc2cccc3cccnc32)c1[N+](=O)[O-] ZINC000040596781 213356928 /nfs/dbraw/zinc/35/69/28/213356928.db2.gz SRSDJGIDRNGVEH-UHFFFAOYSA-N 0 0 325.328 3.547 10 5 EHBERN CC(C)CCNc1ncnc(N2CCc3ccccc32)c1[N+](=O)[O-] ZINC000040586218 213355709 /nfs/dbraw/zinc/35/57/09/213355709.db2.gz UYAQUBZVPUHVDM-UHFFFAOYSA-N 0 0 327.388 3.537 10 5 EHBERN CCOc1ccc(/C=C/C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC ZINC000001934820 209806651 /nfs/dbraw/zinc/80/66/51/209806651.db2.gz YBELVCAJMZTVOW-CSKARUKUSA-N 0 0 342.351 3.654 10 5 EHBERN CC(C)/N=c1\ccccn1C(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000023197586 212360047 /nfs/dbraw/zinc/36/00/47/212360047.db2.gz NPEYCASCWZSLPJ-SILUMUFESA-N 0 0 345.786 3.712 10 5 EHBERN CC(=O)Oc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1Cl ZINC000021125008 212209378 /nfs/dbraw/zinc/20/93/78/212209378.db2.gz HWLXNRQPXTVQQG-UHFFFAOYSA-N 0 0 348.742 3.734 10 5 EHBERN CN1C=C(c2ccccc2)O[C@@H]1[C@H]1C=Cc2cc([N+](=O)[O-])ccc2O1 ZINC000017729258 564129026 /nfs/dbraw/zinc/12/90/26/564129026.db2.gz JPAWFQDEZGRCOR-IEBWSBKVSA-N 0 0 336.347 3.656 10 5 EHBERN Cc1ccc([C@@H]2CN(Cc3ccc(Cl)c([N+](=O)[O-])c3)CCO2)o1 ZINC000158840700 1032553842 /nfs/dbraw/zinc/55/38/42/1032553842.db2.gz VOSDCUADXXSJKV-INIZCTEOSA-N 0 0 336.775 3.723 10 5 EHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cnn(C(C)(C)C)c1 ZINC000588438828 1022446613 /nfs/dbraw/zinc/44/66/13/1022446613.db2.gz AOJULFIHWGKDII-XFXZXTDPSA-N 0 0 328.372 3.588 10 5 EHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCSc2ncccc21 ZINC000588439497 1022451324 /nfs/dbraw/zinc/45/13/24/1022451324.db2.gz GHXHDWMAOLWUCH-QXMHVHEDSA-N 0 0 341.392 3.532 10 5 EHBERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCCCNc1ccccc1 ZINC000588445681 1022568697 /nfs/dbraw/zinc/56/86/97/1022568697.db2.gz KMKFAACRBXQZHT-CCEZHUSRSA-N 0 0 339.395 3.617 10 5 EHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1ccc(Cl)cn1 ZINC000588612793 1033152251 /nfs/dbraw/zinc/15/22/51/1033152251.db2.gz LQVUKCLSQPSPIQ-MMRAYRKESA-N 0 0 345.786 3.924 10 5 EHBERN O=[N+]([O-])c1ccc(N2CC[C@]3(O)CCCC[C@@H]3C2)cc1C(F)(F)F ZINC000128343476 1026810949 /nfs/dbraw/zinc/81/09/49/1026810949.db2.gz DGKVTEPEULSZDG-IAQYHMDHSA-N 0 0 344.333 3.745 10 5 EHBERN CCCCN(CC(F)(F)F)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000102637244 1137873579 /nfs/dbraw/zinc/87/35/79/1137873579.db2.gz PZXGHGXYNRQKAS-UHFFFAOYSA-N 0 0 343.305 3.881 10 5 EHBERN CCCCN1C(=O)c2ccccc2N[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000066129621 215015380 /nfs/dbraw/zinc/01/53/80/215015380.db2.gz KEONHLPFYMJRRE-QGZVFWFLSA-N 0 0 325.368 3.961 10 5 EHBERN CCN(CC)c1ncnc(Nc2cccc3cccnc32)c1[N+](=O)[O-] ZINC000040607993 213358268 /nfs/dbraw/zinc/35/82/68/213358268.db2.gz NIMFGVDUNZXDCG-UHFFFAOYSA-N 0 0 338.371 3.523 10 5 EHBERN O=[N+]([O-])c1c(Nc2cccnc2)ncnc1Sc1ccccc1 ZINC000040628334 213361549 /nfs/dbraw/zinc/36/15/49/213361549.db2.gz OPELERABURELAZ-UHFFFAOYSA-N 0 0 325.353 3.675 10 5 EHBERN O=[N+]([O-])c1c(Nc2cccnc2)ncnc1Nc1cccc(Cl)c1 ZINC000040628292 213360916 /nfs/dbraw/zinc/36/09/16/213360916.db2.gz ICSFPPIVKLFWEG-UHFFFAOYSA-N 0 0 342.746 3.920 10 5 EHBERN Cc1cc(Oc2ncnc(N3CCCC3)c2[N+](=O)[O-])ccc1Cl ZINC000040609259 213358065 /nfs/dbraw/zinc/35/80/65/213358065.db2.gz OYXVIGBFYSQMOY-UHFFFAOYSA-N 0 0 334.763 3.739 10 5 EHBERN Cc1ccc(C)c(Nc2ncnc(Oc3cccnc3)c2[N+](=O)[O-])c1 ZINC000040592263 213356467 /nfs/dbraw/zinc/35/64/67/213356467.db2.gz ZVVJAQLJZVBITE-UHFFFAOYSA-N 0 0 337.339 3.933 10 5 EHBERN Cc1cc(C)cc(Nc2ncnc(Oc3cccnc3)c2[N+](=O)[O-])c1 ZINC000040583083 213353390 /nfs/dbraw/zinc/35/33/90/213353390.db2.gz QTPSBGLXJAQLJX-UHFFFAOYSA-N 0 0 337.339 3.933 10 5 EHBERN Cc1oc(-c2cccc([N+](=O)[O-])c2)cc1C(=O)Nc1nccs1 ZINC000005033368 210370061 /nfs/dbraw/zinc/37/00/61/210370061.db2.gz NWISDANFBHKFGW-UHFFFAOYSA-N 0 0 329.337 3.872 10 5 EHBERN COCc1ccc(NC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)cc1 ZINC000588596374 1032201751 /nfs/dbraw/zinc/20/17/51/1032201751.db2.gz HVKWAFYABMXFKJ-QBFSEMIESA-N 0 0 326.352 3.783 10 5 EHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(Cc1cccnc1)C1CC1 ZINC000588443881 1022485833 /nfs/dbraw/zinc/48/58/33/1022485833.db2.gz RTNYHRYWQNPVBH-KAMYIIQDSA-N 0 0 337.379 3.584 10 5 EHBERN COc1cc(NCc2ncc(-c3ccccc3)cn2)ccc1[N+](=O)[O-] ZINC000186002950 1024384605 /nfs/dbraw/zinc/38/46/05/1024384605.db2.gz PCQLTNVTVAFDNC-UHFFFAOYSA-N 0 0 336.351 3.673 10 5 EHBERN COc1cc(NCc2nnc(-c3ccccc3)s2)ccc1[N+](=O)[O-] ZINC000301672044 1026895885 /nfs/dbraw/zinc/89/58/85/1026895885.db2.gz ZIXQKXWPAAYCKY-UHFFFAOYSA-N 0 0 342.380 3.734 10 5 EHBERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)Cc1c[nH]c2ccccc12 ZINC000103377529 1037835691 /nfs/dbraw/zinc/83/56/91/1037835691.db2.gz JOECKLRRDQFIAK-GFCCVEGCSA-N 0 0 335.363 3.596 10 5 EHBERN CC(C)Cn1cnnc1[C@@H]1CCCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000301373733 1127740076 /nfs/dbraw/zinc/74/00/76/1127740076.db2.gz RHWCUFKYEHMCQS-AWEZNQCLSA-N 0 0 349.822 3.837 10 5 EHBERN CN1c2ccc([N+](=O)[O-])cc2N=C(c2ccccc2Cl)CC1=O ZINC000100898427 219111233 /nfs/dbraw/zinc/11/12/33/219111233.db2.gz BNMGVWMNWRMWTB-UHFFFAOYSA-N 0 0 329.743 3.736 10 5 EHBERN Cc1c(C(=O)OC(C)C)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12 ZINC000041005771 213407904 /nfs/dbraw/zinc/40/79/04/213407904.db2.gz LSADQRLFWRRLBG-UHFFFAOYSA-N 0 0 345.380 3.845 10 5 EHBERN Cc1cc(Cl)ccc1Nc1ncnc(N2CCCC2)c1[N+](=O)[O-] ZINC000040590374 213354848 /nfs/dbraw/zinc/35/48/48/213354848.db2.gz MMHCRFCDRNPUGO-UHFFFAOYSA-N 0 0 333.779 3.690 10 5 EHBERN CNc1ncnc(NC(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] ZINC000040595811 213356440 /nfs/dbraw/zinc/35/64/40/213356440.db2.gz QCNRYSBKJSFUTN-UHFFFAOYSA-N 0 0 335.367 3.628 10 5 EHBERN Nc1ccc2c(c1)[nH+]c1cc(N)ccc1c2-c1ccccc1C(=O)[O-] ZINC000035577701 213038496 /nfs/dbraw/zinc/03/84/96/213038496.db2.gz HBBNGLLPWRCIQA-UHFFFAOYSA-N 0 0 329.359 3.700 10 5 EHBERN Cc1ccc(-c2nc3nccc(-c4cccc([N+](=O)[O-])c4)n3n2)cc1 ZINC000072451528 216239516 /nfs/dbraw/zinc/23/95/16/216239516.db2.gz CEEVXJHFESRPRA-UHFFFAOYSA-N 0 0 331.335 3.675 10 5 EHBERN CCC(=O)Oc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000021026045 212200824 /nfs/dbraw/zinc/20/08/24/212200824.db2.gz UQTRTJLCLNVFID-UHFFFAOYSA-N 0 0 348.742 3.816 10 5 EHBERN CC(C)(C)[C@H](O)CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000078670206 217098258 /nfs/dbraw/zinc/09/82/58/217098258.db2.gz XCNGGXPDVBXSHL-QGZVFWFLSA-N 0 0 342.395 3.645 10 5 EHBERN Cc1cc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)ccc1Cl ZINC000005750059 210529976 /nfs/dbraw/zinc/52/99/76/210529976.db2.gz ZCRNNPDMJIKKDS-UHFFFAOYSA-N 0 0 334.759 3.883 10 5 EHBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccccc1Br ZINC000005540856 210485495 /nfs/dbraw/zinc/48/54/95/210485495.db2.gz GBCLHMJQIXXTJE-UHFFFAOYSA-N 0 0 335.157 3.918 10 5 EHBERN CC(=O)Nc1cccc(NC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)c1 ZINC000588435202 1022222716 /nfs/dbraw/zinc/22/27/16/1022222716.db2.gz ICRYSPUCGGMHMC-BENRWUELSA-N 0 0 339.351 3.595 10 5 EHBERN COc1ccc(F)c(NC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)c1 ZINC000588440056 1022456010 /nfs/dbraw/zinc/45/60/10/1022456010.db2.gz KBFNSSMOWCJUHE-LUAWRHEFSA-N 0 0 330.315 3.785 10 5 EHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCc1nc(C)c(C)s1 ZINC000588445073 1022532378 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/nfs/dbraw/zinc/23/68/12/1140236812.db2.gz KHDFSCBBRSRHNS-INIZCTEOSA-N 0 0 345.424 3.574 10 5 EHBERN C[C@H]1CCCC[C@H]1N(C)c1ncc(Br)cc1[N+](=O)[O-] ZINC000042613747 213518108 /nfs/dbraw/zinc/51/81/08/213518108.db2.gz XYQWPMZJDVYDAL-GXSJLCMTSA-N 0 0 328.210 3.767 10 5 EHBERN Cc1ccccc1Nc1[nH]cnc(=NNc2ccccc2)c1[N+](=O)[O-] ZINC000040624455 213358997 /nfs/dbraw/zinc/35/89/97/213358997.db2.gz LYZWZCAFIAPASZ-UHFFFAOYSA-N 0 0 336.355 3.876 10 5 EHBERN COc1ccccc1Nc1ncnc(N2CCCCCC2)c1[N+](=O)[O-] ZINC000040610051 213357684 /nfs/dbraw/zinc/35/76/84/213357684.db2.gz VIMVNNPUIIXMMU-UHFFFAOYSA-N 0 0 343.387 3.517 10 5 EHBERN O=[N+]([O-])c1c(Nc2ccc(F)c(F)c2)ncnc1N1CCCCCC1 ZINC000040610137 213357471 /nfs/dbraw/zinc/35/74/71/213357471.db2.gz PRUSTFBZQDINIW-UHFFFAOYSA-N 0 0 349.341 3.787 10 5 EHBERN COc1ccc(Cl)cc1Nc1ncnc(OC(C)C)c1[N+](=O)[O-] ZINC000040589760 213355675 /nfs/dbraw/zinc/35/56/75/213355675.db2.gz CONBSSMZXGNYOE-UHFFFAOYSA-N 0 0 338.751 3.578 10 5 EHBERN CCCNc1ncnc(Nc2cc(Cl)ccc2OC)c1[N+](=O)[O-] ZINC000040589466 213355433 /nfs/dbraw/zinc/35/54/33/213355433.db2.gz JDLPXKMCCKSKDT-UHFFFAOYSA-N 0 0 337.767 3.612 10 5 EHBERN Cc1cc(C)cc(Nc2ncnc(Nc3cccnc3)c2[N+](=O)[O-])c1 ZINC000040582989 213353561 /nfs/dbraw/zinc/35/35/61/213353561.db2.gz MVMVUMQTLMDMEI-UHFFFAOYSA-N 0 0 336.355 3.884 10 5 EHBERN O=C(Nc1ccc([N+](=O)[O-])cc1)C1=Cc2cc(Cl)ccc2OC1 ZINC000040180059 213280866 /nfs/dbraw/zinc/28/08/66/213280866.db2.gz SAQYTRIKCPPPRV-UHFFFAOYSA-N 0 0 330.727 3.663 10 5 EHBERN CC(C)CNC(=O)Cn1c2ccccc2c2nc3ccccc3nc21 ZINC000040165904 213278244 /nfs/dbraw/zinc/27/82/44/213278244.db2.gz AXVGSBRZZBKZOO-UHFFFAOYSA-N 0 0 332.407 3.510 10 5 EHBERN COc1cc(-c2noc(C)n2)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000037553519 213155658 /nfs/dbraw/zinc/15/56/58/213155658.db2.gz LKHVVEWKQGPVRG-UHFFFAOYSA-N 0 0 341.323 3.541 10 5 EHBERN CO[C@H]1CCCC[C@H]1Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000037318427 213140821 /nfs/dbraw/zinc/14/08/21/213140821.db2.gz GBMQXFNZVRPCCM-YPMHNXCESA-N 0 0 329.194 3.727 10 5 EHBERN Cc1ccc(-c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c(=O)[nH]2)cc1 ZINC000072450993 216239130 /nfs/dbraw/zinc/23/91/30/216239130.db2.gz CTOKMFYVGCLKIK-UHFFFAOYSA-N 0 0 349.346 3.511 10 5 EHBERN O=[N+]([O-])c1cc(-c2ccnc3nc(-c4ccccc4)nn32)ccc1F ZINC000072451422 216239848 /nfs/dbraw/zinc/23/98/48/216239848.db2.gz GSGQYRUTYPLTIG-UHFFFAOYSA-N 0 0 335.298 3.506 10 5 EHBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(-c2ccccc2)[nH]c1=O ZINC000072451233 216239939 /nfs/dbraw/zinc/23/99/39/216239939.db2.gz QOHFAVZCQIFEIP-UHFFFAOYSA-N 0 0 349.346 3.511 10 5 EHBERN Cc1ccc(Nc2ccc3nonc3c2[N+](=O)[O-])c(Br)c1 ZINC000005330656 210441541 /nfs/dbraw/zinc/44/15/41/210441541.db2.gz KWOFSTDMRQHMKT-UHFFFAOYSA-N 0 0 349.144 3.946 10 5 EHBERN CC(=O)Nc1cccc(OC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)c1 ZINC000588435509 1022229207 /nfs/dbraw/zinc/22/92/07/1022229207.db2.gz ZNWUIURFSVERNK-BENRWUELSA-N 0 0 340.335 3.562 10 5 EHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(c1nc(C)cs1)C1CC1 ZINC000588440814 1022460416 /nfs/dbraw/zinc/46/04/16/1022460416.db2.gz QDCSLEIMWQYBDQ-LUAWRHEFSA-N 0 0 343.408 3.959 10 5 EHBERN C[C@H](Nc1ccc2c(c1)CN(C)C(=O)N2)c1cccc([N+](=O)[O-])c1 ZINC000186539241 1027498583 /nfs/dbraw/zinc/49/85/83/1027498583.db2.gz IPVQCYFIQBVIQF-NSHDSACASA-N 0 0 326.356 3.745 10 5 EHBERN CCSc1cc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)ccn1 ZINC000103375095 1037834163 /nfs/dbraw/zinc/83/41/63/1037834163.db2.gz OBMQFWLOWPBORS-LLVKDONJSA-N 0 0 343.408 3.693 10 5 EHBERN Cc1cc(N2CC[C@@]3(O)CCCC[C@@H]3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302044646 1041899246 /nfs/dbraw/zinc/89/92/46/1041899246.db2.gz XNXMPKIUNLAMFF-KUHUBIRLSA-N 0 0 341.411 3.583 10 5 EHBERN O=[N+]([O-])c1cc(Cl)ccc1N1CCC(c2noc(C3CC3)n2)CC1 ZINC000302191685 1129772157 /nfs/dbraw/zinc/77/21/57/1129772157.db2.gz ZETAPXMDZOHMNY-UHFFFAOYSA-N 0 0 348.790 3.893 10 5 EHBERN COc1ccccc1Oc1ncnc(NCCC(C)C)c1[N+](=O)[O-] ZINC000040660311 213365253 /nfs/dbraw/zinc/36/52/53/213365253.db2.gz RWDSYCIPKOJERR-UHFFFAOYSA-N 0 0 332.360 3.644 10 5 EHBERN O=[N+]([O-])c1c(NCc2ccco2)ncnc1Nc1ccc(Cl)cc1 ZINC000040645469 213363352 /nfs/dbraw/zinc/36/33/52/213363352.db2.gz SEGIOTPFUYECDK-UHFFFAOYSA-N 0 0 345.746 3.987 10 5 EHBERN O=[N+]([O-])c1c(Sc2ccccc2)ncnc1N1CCCCCC1 ZINC000040610067 213358628 /nfs/dbraw/zinc/35/86/28/213358628.db2.gz FVMPZZFORMPMDP-UHFFFAOYSA-N 0 0 330.413 3.916 10 5 EHBERN CCCCNc1ncnc(NC23CC4CC(CC(C4)C2)C3)c1[N+](=O)[O-] ZINC000040595077 213356185 /nfs/dbraw/zinc/35/61/85/213356185.db2.gz MJRGFRQHGCJDPG-UHFFFAOYSA-N 0 0 345.447 3.978 10 5 EHBERN O=C1OC(c2cccc(F)c2)=N/C1=C/C=C/c1cccc([N+](=O)[O-])c1 ZINC000001441501 209750817 /nfs/dbraw/zinc/75/08/17/209750817.db2.gz RPSQEOQVCRXBQJ-ZRQJSYPSSA-N 0 0 338.294 3.635 10 5 EHBERN CO[C@@H]1CCCC[C@@H]1Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000037318424 213140275 /nfs/dbraw/zinc/14/02/75/213140275.db2.gz GBMQXFNZVRPCCM-WCQYABFASA-N 0 0 329.194 3.727 10 5 EHBERN COc1cc([N+](=O)[O-])ccc1NCc1ccc(Br)o1 ZINC000037061952 213131087 /nfs/dbraw/zinc/13/10/87/213131087.db2.gz YXCLJEKJUJNKKX-UHFFFAOYSA-N 0 0 327.134 3.571 10 5 EHBERN O=C(NCCC1=CCCCC1)c1c[nH]nc1-c1ccc([N+](=O)[O-])cc1 ZINC000072329371 216153464 /nfs/dbraw/zinc/15/34/64/216153464.db2.gz MTOQEDLHFMYLCK-UHFFFAOYSA-N 0 0 340.383 3.605 10 5 EHBERN CN(C)C(=O)c1ccc(COc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000097528421 219033727 /nfs/dbraw/zinc/03/37/27/219033727.db2.gz OZSLVJBGSZYNON-UHFFFAOYSA-N 0 0 334.759 3.529 10 5 EHBERN Cc1ccc(Nc2ncnc(N3CCC(C)CC3)c2[N+](=O)[O-])cc1C ZINC000040589968 132403624 /nfs/dbraw/zinc/40/36/24/132403624.db2.gz NLEJTSOIFZATGT-UHFFFAOYSA-N 0 0 341.415 3.982 10 5 EHBERN C[C@@H]1[C@@H](C)CCCN1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000725263829 563986454 /nfs/dbraw/zinc/98/64/54/563986454.db2.gz NJMNFCLTPLNUEC-WDEREUQCSA-N 0 0 327.222 3.978 10 5 EHBERN Cc1cccc2c1OCC[C@@H]2NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000189955130 1016796942 /nfs/dbraw/zinc/79/69/42/1016796942.db2.gz ZXMXGYCZEDUWOC-HNNXBMFYSA-N 0 0 346.770 3.810 10 5 EHBERN CO[C@@H](CNC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000588444179 1022510868 /nfs/dbraw/zinc/51/08/68/1022510868.db2.gz MYPQVSZLSDAQQQ-FFWXCITRSA-N 0 0 340.379 3.502 10 5 EHBERN CCOc1ccccc1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000103377492 1026081206 /nfs/dbraw/zinc/08/12/06/1026081206.db2.gz BMNDGPVQTGVLBC-LBPRGKRZSA-N 0 0 326.352 3.585 10 5 EHBERN O=C(c1csc([N+](=O)[O-])c1)N1CC=C(c2ccccc2F)CC1 ZINC000186129889 1026256570 /nfs/dbraw/zinc/25/65/70/1026256570.db2.gz MWNBQRACWYHEFB-UHFFFAOYSA-N 0 0 332.356 3.725 10 5 EHBERN O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1cc(F)ccc1Cl ZINC000102740422 1034468049 /nfs/dbraw/zinc/46/80/49/1034468049.db2.gz VUVNTUBORUGLDA-UHFFFAOYSA-N 0 0 342.685 3.544 10 5 EHBERN COc1ccc(C[NH2+][C@H]2CCOc3c(C)cccc32)cc1[N+](=O)[O-] ZINC000188954214 1037579285 /nfs/dbraw/zinc/57/92/85/1037579285.db2.gz YUOIBBPPTNZXMZ-HNNXBMFYSA-N 0 0 328.368 3.525 10 5 EHBERN CC1(C)CCCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000408302434 1042996696 /nfs/dbraw/zinc/99/66/96/1042996696.db2.gz ZGINXTYFIOJSMI-UHFFFAOYSA-N 0 0 327.384 3.795 10 5 EHBERN O=[N+]([O-])c1ccc(CNc2cccc(-c3cc[nH]n3)c2)c([N+](=O)[O-])c1 ZINC000193586285 1121467578 /nfs/dbraw/zinc/46/75/78/1121467578.db2.gz LTCSOAMNSDLOJL-UHFFFAOYSA-N 0 0 339.311 3.505 10 5 EHBERN Cc1nn(-c2ccc(Cl)cc2[N+](=O)[O-])c(C)c1Br ZINC000050594550 214061052 /nfs/dbraw/zinc/06/10/52/214061052.db2.gz OJOJWPNRCWGBMT-UHFFFAOYSA-N 0 0 330.569 3.813 10 5 EHBERN O=[N+]([O-])c1c(Nc2ccc(F)cc2F)ncnc1Oc1cccnc1 ZINC000040660439 213364895 /nfs/dbraw/zinc/36/48/95/213364895.db2.gz JHOLDESUEZSCLK-UHFFFAOYSA-N 0 0 345.265 3.594 10 5 EHBERN CCN(CC)c1ncnc(Oc2ccc(Cl)c(C)c2)c1[N+](=O)[O-] ZINC000040608184 213357852 /nfs/dbraw/zinc/35/78/52/213357852.db2.gz GYRJBTILTVVZMB-UHFFFAOYSA-N 0 0 336.779 3.985 10 5 EHBERN O=[N+]([O-])c1c(Nc2cccc3ccccc32)ncnc1N1CCCC1 ZINC000040609001 213357651 /nfs/dbraw/zinc/35/76/51/213357651.db2.gz CERWVJOWXBOIJN-UHFFFAOYSA-N 0 0 335.367 3.882 10 5 EHBERN Cc1ccccc1Nc1ncnc(N2CCCCCC2)c1[N+](=O)[O-] ZINC000040610048 213357375 /nfs/dbraw/zinc/35/73/75/213357375.db2.gz LLAOCOGMQBJJER-UHFFFAOYSA-N 0 0 327.388 3.817 10 5 EHBERN CCOc1ncnc(Nc2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-] ZINC000040591559 213356044 /nfs/dbraw/zinc/35/60/44/213356044.db2.gz HIZQLJQXHHVPDO-UHFFFAOYSA-N 0 0 329.143 3.834 10 5 EHBERN CCCNc1ncnc(Nc2ccccc2C(F)(F)F)c1[N+](=O)[O-] ZINC000040588613 213355445 /nfs/dbraw/zinc/35/54/45/213355445.db2.gz QXLAGSJFWANPRU-UHFFFAOYSA-N 0 0 341.293 3.969 10 5 EHBERN O=[N+]([O-])c1cccc(OCc2nc(-c3cccc(Cl)c3)n[nH]2)c1 ZINC000072236761 216076388 /nfs/dbraw/zinc/07/63/88/216076388.db2.gz HKJLGMNCHXMTIH-UHFFFAOYSA-N 0 0 330.731 3.612 10 5 EHBERN CCN(c1cccc(C)c1)c1ncnc(N2CCCCC2)c1[N+](=O)[O-] ZINC000040572240 535416881 /nfs/dbraw/zinc/41/68/81/535416881.db2.gz JWEZFDCDHFJRIX-UHFFFAOYSA-N 0 0 341.415 3.842 10 5 EHBERN O=C(Nc1ccc(-c2cnco2)cc1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000102636450 1018565214 /nfs/dbraw/zinc/56/52/14/1018565214.db2.gz JHMFGIXUPWHUOE-UHFFFAOYSA-N 0 0 348.318 3.983 10 5 EHBERN COc1ccc(NC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000588435344 1022220509 /nfs/dbraw/zinc/22/05/09/1022220509.db2.gz AQOVEFSQXQUMEE-BENRWUELSA-N 0 0 342.351 3.654 10 5 EHBERN COc1ccc(CN(C)C(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)cc1 ZINC000588435462 1022225640 /nfs/dbraw/zinc/22/56/40/1022225640.db2.gz QCKCPNKGEPQFOZ-OWBHPGMISA-N 0 0 340.379 3.665 10 5 EHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCc1cccnc1Cl ZINC000588445092 1022532119 /nfs/dbraw/zinc/53/21/19/1022532119.db2.gz DIWIDKUKICGHHO-LUAWRHEFSA-N 0 0 332.743 3.790 10 5 EHBERN COc1cc(Cl)ccc1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000103375481 1037835809 /nfs/dbraw/zinc/83/58/09/1037835809.db2.gz LXKXVMCWIXYCMT-JTQLQIEISA-N 0 0 346.770 3.848 10 5 EHBERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCc1c[nH]c2ccccc12 ZINC000103377542 1037836066 /nfs/dbraw/zinc/83/60/66/1037836066.db2.gz UWUZDDVCCGLQEI-ZDUSSCGKSA-N 0 0 349.390 3.987 10 5 EHBERN C[C@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)C/C=C/c1ccccc1 ZINC000105712610 1040840850 /nfs/dbraw/zinc/84/08/50/1040840850.db2.gz DCUYTSIBLMPPCJ-VIIAAUOXSA-N 0 0 331.393 3.784 10 5 EHBERN CC(C)Oc1ncnc(Nc2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000040659672 213365650 /nfs/dbraw/zinc/36/56/50/213365650.db2.gz NLUVLKNFSVRWQO-UHFFFAOYSA-N 0 0 342.277 3.934 10 5 EHBERN O=[N+]([O-])c1c(NC2CCCCCC2)ncnc1Oc1cccnc1 ZINC000040660446 213365676 /nfs/dbraw/zinc/36/56/76/213365676.db2.gz GEUGUXVVMWYSJT-UHFFFAOYSA-N 0 0 329.360 3.707 10 5 EHBERN Cc1cc(Oc2ncnc(-n3ccnc3)c2[N+](=O)[O-])cc(C)c1Cl ZINC000040660368 213365410 /nfs/dbraw/zinc/36/54/10/213365410.db2.gz GHXMADIOFPQREY-UHFFFAOYSA-N 0 0 345.746 3.633 10 5 EHBERN Cc1cc(C)n(-c2ncnc(Nc3cccc(Cl)c3)c2[N+](=O)[O-])n1 ZINC000040648704 213363907 /nfs/dbraw/zinc/36/39/07/213363907.db2.gz BUQXDFXIULZIAS-UHFFFAOYSA-N 0 0 344.762 3.584 10 5 EHBERN COc1ccc(Oc2ncnc(N3CCCCCC3)c2[N+](=O)[O-])cc1 ZINC000040610161 213357962 /nfs/dbraw/zinc/35/79/62/213357962.db2.gz ZRKVXAWTYDXSGG-UHFFFAOYSA-N 0 0 344.371 3.566 10 5 EHBERN CCCNc1ncnc(Nc2cccc3nc(C)ccc32)c1[N+](=O)[O-] ZINC000040597250 213356761 /nfs/dbraw/zinc/35/67/61/213356761.db2.gz DNSGZEVVXLLSQW-UHFFFAOYSA-N 0 0 338.371 3.807 10 5 EHBERN O=[N+]([O-])c1c(N2CCc3ccccc32)[nH]cnc1=NNc1ccccc1 ZINC000040586118 213355794 /nfs/dbraw/zinc/35/57/94/213355794.db2.gz HOZDFEOVAMKCCT-UHFFFAOYSA-N 0 0 348.366 3.518 10 5 EHBERN Cc1c(Cl)c(I)c(Cl)cc1[N+](=O)[O-] ZINC000038476946 213208537 /nfs/dbraw/zinc/20/85/37/213208537.db2.gz OAUDPZGZOZNUIK-UHFFFAOYSA-N 0 0 331.924 3.815 10 5 EHBERN O=[N+]([O-])c1ccccc1OCc1nc(-c2cccc(Cl)c2)n[nH]1 ZINC000072237517 216076454 /nfs/dbraw/zinc/07/64/54/216076454.db2.gz FEPDQJZFLZUHDA-UHFFFAOYSA-N 0 0 330.731 3.612 10 5 EHBERN O=C(Nc1cccc(-c2ncon2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000101525894 1018363324 /nfs/dbraw/zinc/36/33/24/1018363324.db2.gz AXSDZSWJSIKJAM-UHFFFAOYSA-N 0 0 344.714 3.551 10 5 EHBERN CCOc1cc(F)ccc1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000102636378 1018564399 /nfs/dbraw/zinc/56/43/99/1018564399.db2.gz 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Cc1ccc(-c2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c(=O)[nH]2)cc1 ZINC000072450994 216239047 /nfs/dbraw/zinc/23/90/47/216239047.db2.gz UGDHYORJVOKUPZ-UHFFFAOYSA-N 0 0 349.346 3.511 10 5 EHBERN COc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000013891983 211655565 /nfs/dbraw/zinc/65/55/65/211655565.db2.gz ZVMLAEJFAJMUGR-RUDMXATFSA-N 0 0 332.743 3.909 10 5 EHBERN C[N+]1([O-])CCC(=C2c3ccsc3C(=O)Cc3ccccc32)CC1 ZINC000575418480 717184451 /nfs/dbraw/zinc/18/44/51/717184451.db2.gz PPIGRNSQECIIJT-UHFFFAOYSA-N 0 0 326.441 3.918 10 5 EHBERN Cc1cc(COC(=O)/C=C\c2ccnc(Cl)c2)ccc1[N+](=O)[O-] ZINC000588418273 1021167268 /nfs/dbraw/zinc/16/72/68/1021167268.db2.gz FIVWCHWHEZHQCX-HYXAFXHYSA-N 0 0 332.743 3.708 10 5 EHBERN COc1cc(C)ccc1NC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588437643 1022430056 /nfs/dbraw/zinc/43/00/56/1022430056.db2.gz ZRIKQJGNCFWLOS-QBFSEMIESA-N 0 0 326.352 3.954 10 5 EHBERN C[C@H](NCc1ncc(-c2ccccc2)cn1)c1cccc([N+](=O)[O-])c1 ZINC000186058249 1026202991 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COc1cccc(C)c1NC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588596111 1032198396 /nfs/dbraw/zinc/19/83/96/1032198396.db2.gz MPABDKNSBWGASW-QBFSEMIESA-N 0 0 326.352 3.954 10 5 EHBERN COc1ccc(NC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000588435741 1022233849 /nfs/dbraw/zinc/23/38/49/1022233849.db2.gz CIJCODBCIYRVEI-BENRWUELSA-N 0 0 342.351 3.654 10 5 EHBERN CC[C@H](NC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000588439296 1022449344 /nfs/dbraw/zinc/44/93/44/1022449344.db2.gz UMIAYIGNTXQKAQ-QOHRORDFSA-N 0 0 325.368 3.661 10 5 EHBERN CC[C@@H](NC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000588439295 1022449718 /nfs/dbraw/zinc/44/97/18/1022449718.db2.gz UMIAYIGNTXQKAQ-MUSGIIIZSA-N 0 0 325.368 3.661 10 5 EHBERN CS[C@H]1CCCCN(C(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000588440505 1022457913 /nfs/dbraw/zinc/45/79/13/1022457913.db2.gz KFCXAPHWYYRDNX-KVNDZABWSA-N 0 0 334.441 3.742 10 5 EHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OC[C@H]1CC1(Cl)Cl ZINC000588445133 1022534784 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CO[C@H]1CCCC[C@@H]1Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000037318425 213140025 /nfs/dbraw/zinc/14/00/25/213140025.db2.gz GBMQXFNZVRPCCM-AAEUAGOBSA-N 0 0 329.194 3.727 10 5 EHBERN O=[N+]([O-])c1cccc(Nc2nc3ccccc3c(N3CCCC3)n2)c1 ZINC000072260976 216085703 /nfs/dbraw/zinc/08/57/03/216085703.db2.gz WEIZDQGACYYXJL-UHFFFAOYSA-N 0 0 335.367 3.882 10 5 EHBERN O=[N+]([O-])c1ccc2ccc3c4c(ccc1c24)cc1c3[C@@H](O)[C@H](O)C=C1 ZINC000027872928 212582949 /nfs/dbraw/zinc/58/29/49/212582949.db2.gz DDTKLIBTCCSFGT-UZLBHIALSA-N 0 0 331.327 3.913 10 5 EHBERN Cc1cccc(-c2noc(COc3ccc(F)cc3[N+](=O)[O-])n2)c1 ZINC000102599645 1018558017 /nfs/dbraw/zinc/55/80/17/1018558017.db2.gz RZJIKRSCMVUPRS-UHFFFAOYSA-N 0 0 329.287 3.671 10 5 EHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2ccc(F)cc2C1 ZINC000588440589 1022457411 /nfs/dbraw/zinc/45/74/11/1022457411.db2.gz ZDRPWXSOCWHWHL-RAXLEYEMSA-N 0 0 340.354 3.722 10 5 EHBERN CCSc1ccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)cn1 ZINC000103375046 1037834402 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Cc1cc(C)cc(Oc2ncnc(Nc3cccnc3)c2[N+](=O)[O-])c1 ZINC000040582649 213353166 /nfs/dbraw/zinc/35/31/66/213353166.db2.gz KQWMSJMGARBQOZ-UHFFFAOYSA-N 0 0 337.339 3.933 10 5 EHBERN Cc1ccc(NC(=O)c2cnc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000037976143 213179141 /nfs/dbraw/zinc/17/91/41/213179141.db2.gz GYGISEBQDHYOIO-UHFFFAOYSA-N 0 0 326.139 3.857 10 5 EHBERN Nc1ccc(SCc2ccc([N+](=O)[O-])cc2Br)cn1 ZINC000037516493 213152775 /nfs/dbraw/zinc/15/27/75/213152775.db2.gz YJXWASDRNGXDCX-UHFFFAOYSA-N 0 0 340.202 3.627 10 5 EHBERN O=C(NCCc1cccs1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000017909665 211974403 /nfs/dbraw/zinc/97/44/03/211974403.db2.gz RYHJSNSRRYIEIY-UHFFFAOYSA-N 0 0 342.376 3.889 10 5 EHBERN COc1ccc(OC)c(/C=C/C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000015790883 211854086 /nfs/dbraw/zinc/85/40/86/211854086.db2.gz XTVSEPWVZMFNEZ-JXMROGBWSA-N 0 0 342.351 3.572 10 5 EHBERN Cc1cccc(Cl)c1NC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000010151697 211149661 /nfs/dbraw/zinc/14/96/61/211149661.db2.gz 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