smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(Cc1ccc(Cl)s1)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000096826414 1082691710 /nfs/dbraw/zinc/69/17/10/1082691710.db2.gz CVTFLVCJJSDIGJ-YFHOEESVSA-N 0 0 350.827 4.372 50 5 FIBARN O=C1CC(/C=C\c2cc([N+](=O)[O-])ccc2OC(F)F)=Nc2ccccc2N1 ZINC000097994699 1082800738 /nfs/dbraw/zinc/80/07/38/1082800738.db2.gz BFPDQYQMTHYAAT-WAYWQWQTSA-N 0 0 373.315 4.324 50 5 FIBARN CC(C)C(=O)Nc1cccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000001130884 219377146 /nfs/dbraw/zinc/37/71/46/219377146.db2.gz FLXUEORPPOURLO-UHFFFAOYSA-N 0 0 361.785 4.095 50 5 FIBARN O=C(NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)c1cccc2ccccc21 ZINC000001178039 219385420 /nfs/dbraw/zinc/38/54/20/219385420.db2.gz INLQFXXVDIIXPD-UHFFFAOYSA-N 0 0 369.377 4.014 50 5 FIBARN Cc1ccsc1/C=C1/SC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O ZINC000000979848 203968352 /nfs/dbraw/zinc/96/83/52/203968352.db2.gz WQZGJDLLIHMVGC-RIYZIHGNSA-N 0 0 360.416 4.201 50 5 FIBARN O=C(Nc1cccc(Br)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000001213950 203994420 /nfs/dbraw/zinc/99/44/20/203994420.db2.gz GIUBSPFTNSYGEE-UHFFFAOYSA-N 0 0 355.575 4.263 50 5 FIBARN O=C1OC(c2ccc([N+](=O)[O-])cc2Cl)=N/C1=C\C=C\c1ccccc1 ZINC000001510168 204010283 /nfs/dbraw/zinc/01/02/83/204010283.db2.gz IGOBSEQFRUQDBJ-QSJINSDNSA-N 0 0 354.749 4.149 50 5 FIBARN Cc1c(C(=O)NCCSCc2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000002064350 204025501 /nfs/dbraw/zinc/02/55/01/204025501.db2.gz DPLJHQUMEDBERP-UHFFFAOYSA-N 0 0 364.854 4.220 50 5 FIBARN CCCC(=O)Nc1ccccc1-c1nc2cc3ccccc3cc2[nH]c1=O ZINC000002950695 204069894 /nfs/dbraw/zinc/06/98/94/204069894.db2.gz HGOLERHUNMRZMX-UHFFFAOYSA-N 0 0 357.413 4.482 50 5 FIBARN O=c1oc2ccccc2cc1-c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000002957545 204070756 /nfs/dbraw/zinc/07/07/56/204070756.db2.gz BLSIPTFIYRZFRE-UHFFFAOYSA-N 0 0 350.355 4.492 50 5 FIBARN O=c1oc2ccccc2cc1-c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000002957547 204071772 /nfs/dbraw/zinc/07/17/72/204071772.db2.gz CRKIZDSQVZKPEF-UHFFFAOYSA-N 0 0 350.355 4.492 50 5 FIBARN O=C(CC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2ccccc2)cc1 ZINC000003069823 204077106 /nfs/dbraw/zinc/07/71/06/204077106.db2.gz WZAFWXOHYFHLFU-UHFFFAOYSA-N 0 0 360.369 4.473 50 5 FIBARN COc1cccc2sc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)nc21 ZINC000003213885 204082422 /nfs/dbraw/zinc/08/24/22/204082422.db2.gz VQIYZNPECGNTPJ-UHFFFAOYSA-N 0 0 363.782 4.119 50 5 FIBARN Cc1cc(NCc2cc3c(cc2[N+](=O)[O-])OCO3)ccc1Br ZINC000002534569 204043775 /nfs/dbraw/zinc/04/37/75/204043775.db2.gz OBMAZRSHBBGUQZ-UHFFFAOYSA-N 0 0 365.183 4.007 50 5 FIBARN CCC(C)(C)c1nnc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC000002777397 204056967 /nfs/dbraw/zinc/05/69/67/204056967.db2.gz ZKYAYPWIKGKQJG-UHFFFAOYSA-N 0 0 354.819 4.040 50 5 FIBARN CCCCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1OC ZINC000002860543 204063723 /nfs/dbraw/zinc/06/37/23/204063723.db2.gz IVKDBZDUHKYNME-UHFFFAOYSA-N 0 0 374.393 4.043 50 5 FIBARN CCOc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000004159171 204124467 /nfs/dbraw/zinc/12/44/67/204124467.db2.gz MMNAYVQCPOHIAB-UHFFFAOYSA-N 0 0 354.284 4.265 50 5 FIBARN O=[N+]([O-])c1ccc(N2CCCC2)cc1NCCOc1ccc(Cl)cc1 ZINC000004181093 204125995 /nfs/dbraw/zinc/12/59/95/204125995.db2.gz NDWUCCKQJBLNTD-UHFFFAOYSA-N 0 0 361.829 4.339 50 5 FIBARN Cc1nc2ccccc2c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)n1 ZINC000004221299 204127502 /nfs/dbraw/zinc/12/75/02/204127502.db2.gz YJOOJWGGGVFASR-UHFFFAOYSA-N 0 0 369.402 4.005 50 5 FIBARN O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1ccc(Cl)nc1 ZINC000003511682 204104174 /nfs/dbraw/zinc/10/41/74/204104174.db2.gz DMFMUJUSGIZAMI-UHFFFAOYSA-N 0 0 365.772 4.352 50 5 FIBARN Cc1ccc(C(=O)NCCSCc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000004702126 204156240 /nfs/dbraw/zinc/15/62/40/204156240.db2.gz SPNAGFJGSRJLAD-UHFFFAOYSA-N 0 0 364.854 4.220 50 5 FIBARN CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000004706787 204156723 /nfs/dbraw/zinc/15/67/23/204156723.db2.gz QXSFVXQDEAAPOX-UHFFFAOYSA-N 0 0 357.435 4.019 50 5 FIBARN O=C(OCCc1ccccc1/C=C\[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000004698698 204157195 /nfs/dbraw/zinc/15/71/95/204157195.db2.gz AWBGDNWMAQUTSQ-LUAWRHEFSA-N 0 0 365.307 4.352 50 5 FIBARN O=C(Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1Cl ZINC000004745363 204159805 /nfs/dbraw/zinc/15/98/05/204159805.db2.gz VKELKVNUFVFRHZ-UHFFFAOYSA-N 0 0 355.575 4.263 50 5 FIBARN COc1ccc(NC(=O)CSCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000004829134 204166666 /nfs/dbraw/zinc/16/66/66/204166666.db2.gz ASFVIGRNELOTIO-UHFFFAOYSA-N 0 0 366.826 4.129 50 5 FIBARN O=C(CSc1ccc(Br)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000004836738 204167734 /nfs/dbraw/zinc/16/77/34/204167734.db2.gz DIZVPWBEGMGSAF-UHFFFAOYSA-N 0 0 367.224 4.088 50 5 FIBARN O=C(Nc1ccccc1[N+](=O)[O-])[C@H]1[C@H](c2ccccc2)C1(Cl)Cl ZINC000004380028 204136780 /nfs/dbraw/zinc/13/67/80/204136780.db2.gz SNUJUBZGPVSLGU-UONOGXRCSA-N 0 0 351.189 4.121 50 5 FIBARN O=[N+]([O-])c1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccco4)=NN32)cc1 ZINC000004424275 204139108 /nfs/dbraw/zinc/13/91/08/204139108.db2.gz GVEZHQDBCVNRSY-PXNSSMCTSA-N 0 0 361.357 4.430 50 5 FIBARN COc1nc2cc(C)ccc2cc1-c1noc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000005529427 204213346 /nfs/dbraw/zinc/21/33/46/204213346.db2.gz LNEUJHHGMWERAY-UHFFFAOYSA-N 0 0 362.345 4.177 50 5 FIBARN CC(=O)Oc1cn(-c2cccc(C)c2)c2nc(C)n3c4ccccc4nc3c12 ZINC000005516420 204213488 /nfs/dbraw/zinc/21/34/88/204213488.db2.gz ZWQRXLLGIIABLQ-UHFFFAOYSA-N 0 0 370.412 4.369 50 5 FIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1[C@H](c2ccccc2)C1(Cl)Cl ZINC000004860500 204170480 /nfs/dbraw/zinc/17/04/80/204170480.db2.gz RSGFLVVZBNZJKO-UONOGXRCSA-N 0 0 351.189 4.121 50 5 FIBARN Nc1nc(Nc2cccc(Cl)c2)nc(NC2CCCCC2)c1[N+](=O)[O-] ZINC000005025496 204185253 /nfs/dbraw/zinc/18/52/53/204185253.db2.gz FRNRHCPOPSNPHL-UHFFFAOYSA-N 0 0 362.821 4.109 50 5 FIBARN COc1ccc(-c2ccc(C(=O)Nc3cccc(C)c3)o2)c([N+](=O)[O-])c1 ZINC000005034487 204187330 /nfs/dbraw/zinc/18/73/30/204187330.db2.gz CSTOBYXYQRMDHF-UHFFFAOYSA-N 0 0 352.346 4.424 50 5 FIBARN COc1ccc(-c2ccc(C(=O)Nc3ccccc3OC)o2)c([N+](=O)[O-])c1 ZINC000005034501 204187488 /nfs/dbraw/zinc/18/74/88/204187488.db2.gz RVGYVMMLILDKDZ-UHFFFAOYSA-N 0 0 368.345 4.124 50 5 FIBARN CC(=O)Oc1ccc(-c2csc(Nc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000005065070 204189015 /nfs/dbraw/zinc/18/90/15/204189015.db2.gz GSQYTWANSBMLFB-UHFFFAOYSA-N 0 0 355.375 4.387 50 5 FIBARN CCOc1ccc(NC(=O)c2c(C)onc2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000005094227 204192125 /nfs/dbraw/zinc/19/21/25/204192125.db2.gz HYVIDKLHIPZLTO-UHFFFAOYSA-N 0 0 367.361 4.209 50 5 FIBARN Cc1ccc(O[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)c([N+](=O)[O-])n1 ZINC000005970219 204232600 /nfs/dbraw/zinc/23/26/00/204232600.db2.gz NKJXQHVSTCSUAJ-SECBINFHSA-N 0 0 370.192 4.011 50 5 FIBARN O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Oc2ccc3ccccc3c2)c1 ZINC000006244326 204241739 /nfs/dbraw/zinc/24/17/39/204241739.db2.gz JEIWEWVFRJCYTG-UHFFFAOYSA-N 0 0 363.778 4.169 50 5 FIBARN CCCn1c(C)nc2c(c3nc4ccccc4nc3n2-c2ccccc2)c1=O ZINC000006241295 204242335 /nfs/dbraw/zinc/24/23/35/204242335.db2.gz CYOABZCVFMCSJJ-UHFFFAOYSA-N 0 0 369.428 4.002 50 5 FIBARN O=[N+]([O-])c1cccc(NC(=S)Nc2ccc(Br)cc2F)c1 ZINC000006970323 204284192 /nfs/dbraw/zinc/28/41/92/204284192.db2.gz ADSLQKPSSLGJRG-UHFFFAOYSA-N 0 0 370.203 4.305 50 5 FIBARN C[C@@H](NC(=O)COc1ccc(Cl)cc1[N+](=O)[O-])c1cc2ccccc2o1 ZINC000007024431 204287412 /nfs/dbraw/zinc/28/74/12/204287412.db2.gz ARXVLBWAETURDS-LLVKDONJSA-N 0 0 374.780 4.251 50 5 FIBARN COc1ccccc1-n1cnnc1S[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000007207448 204291394 /nfs/dbraw/zinc/29/13/94/204291394.db2.gz OXXYPGFYWCCKQG-LBPRGKRZSA-N 0 0 356.407 4.037 50 5 FIBARN O=C(Nc1ccc2c(c1)oc1c(F)cccc1c2=O)c1ccccc1F ZINC000006660314 204260141 /nfs/dbraw/zinc/26/01/41/204260141.db2.gz GBCSFHXTPVGSRR-UHFFFAOYSA-N 0 0 351.308 4.477 50 5 FIBARN CCCCn1c(=O)c2c(=O)c3ccccc3n(C)c2nc1C1CCCCC1 ZINC000006814703 204273812 /nfs/dbraw/zinc/27/38/12/204273812.db2.gz VAMTUYGSAIIVKJ-UHFFFAOYSA-N 0 0 365.477 4.096 50 5 FIBARN CC(C)(C)CC(=O)Nc1nnc(SCc2cccc([N+](=O)[O-])c2)s1 ZINC000006835716 204276135 /nfs/dbraw/zinc/27/61/35/204276135.db2.gz PCLZPRJTQUINKA-UHFFFAOYSA-N 0 0 366.468 4.113 50 5 FIBARN O=C(N=c1[nH]c2ccc([N+](=O)[O-])cc2s1)c1ccc(Cl)c(Cl)c1 ZINC000009111568 204354137 /nfs/dbraw/zinc/35/41/37/204354137.db2.gz ZFCTUXXFLBZLSJ-UHFFFAOYSA-N 0 0 368.201 4.186 50 5 FIBARN O=[N+]([O-])c1ncccc1Oc1nc(-c2cccs2)nc2ccccc21 ZINC000009379300 204365953 /nfs/dbraw/zinc/36/59/53/204365953.db2.gz JCEQPUPEKBDRIQ-UHFFFAOYSA-N 0 0 350.359 4.454 50 5 FIBARN O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000010577760 204398357 /nfs/dbraw/zinc/39/83/57/204398357.db2.gz DSTDISGLBIBTAX-UHFFFAOYSA-N 0 0 368.418 4.057 50 5 FIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1csc(-c2cccs2)n1 ZINC000013002190 204517841 /nfs/dbraw/zinc/51/78/41/204517841.db2.gz SESXDKWBWWORFK-UHFFFAOYSA-N 0 0 361.404 4.041 50 5 FIBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@H]1CCSc2ccc(F)cc21 ZINC000015199221 204606535 /nfs/dbraw/zinc/60/65/35/204606535.db2.gz QZKYXLKDLFXDBY-RRGWEWPQSA-N 0 0 358.394 4.100 50 5 FIBARN CN(CCOc1ccc(F)cc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000016173602 204631465 /nfs/dbraw/zinc/63/14/65/204631465.db2.gz KJVCRHLMHPLVTE-UHFFFAOYSA-N 0 0 374.393 4.100 50 5 FIBARN Cc1ccc(-c2cc(-c3ccc(C)cc3)n(Cn3ccc([N+](=O)[O-])n3)n2)cc1 ZINC000017076431 204650013 /nfs/dbraw/zinc/65/00/13/204650013.db2.gz BWUGOQCQUWFGFS-UHFFFAOYSA-N 0 0 373.416 4.444 50 5 FIBARN O=C(c1ccc([N+](=O)[O-])s1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000031317288 204916402 /nfs/dbraw/zinc/91/64/02/204916402.db2.gz BEOLGXFBGLAZDN-UHFFFAOYSA-N 0 0 370.352 4.480 50 5 FIBARN CSc1ccc(C(=O)Nc2cnc(-c3ccccc3)nc2)cc1[N+](=O)[O-] ZINC000032844983 204940802 /nfs/dbraw/zinc/94/08/02/204940802.db2.gz CRKWHICLUWJIRJ-UHFFFAOYSA-N 0 0 366.402 4.026 50 5 FIBARN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc3c2CCCC3)cc1OC ZINC000036784948 205022147 /nfs/dbraw/zinc/02/21/47/205022147.db2.gz WUPHWIRRRYALQA-UHFFFAOYSA-N 0 0 370.405 4.133 50 5 FIBARN CC(C)OCCCNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000040071367 205052568 /nfs/dbraw/zinc/05/25/68/205052568.db2.gz VEPJCNOQMMQJDP-UHFFFAOYSA-N 0 0 368.231 4.133 50 5 FIBARN CCOC(=O)c1cc2cc(NC(=O)c3ccccc3[N+](=O)[O-])ccc2s1 ZINC000040082305 205053452 /nfs/dbraw/zinc/05/34/52/205053452.db2.gz POQGMMBTPNKYCO-UHFFFAOYSA-N 0 0 370.386 4.239 50 5 FIBARN Cc1occc1-c1nnc(SCCCOc2ccc([N+](=O)[O-])cc2)o1 ZINC000048363511 205160413 /nfs/dbraw/zinc/16/04/13/205160413.db2.gz OMHOADYQYSPSJT-UHFFFAOYSA-N 0 0 361.379 4.107 50 5 FIBARN Cc1cccc(C(=O)Nc2ccccc2OC[C@H]2CCCCO2)c1[N+](=O)[O-] ZINC000057369150 205238673 /nfs/dbraw/zinc/23/86/73/205238673.db2.gz BRBGLQAKPQCOSV-OAHLLOKOSA-N 0 0 370.405 4.103 50 5 FIBARN O=[N+]([O-])c1ccc(NCc2cn(-c3ccccc3)nc2-c2ccncc2)cc1 ZINC000057858189 205246401 /nfs/dbraw/zinc/24/64/01/205246401.db2.gz DJRQTBRIBQTQGG-UHFFFAOYSA-N 0 0 371.400 4.455 50 5 FIBARN CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCCc2ccccc21 ZINC000047406656 206080740 /nfs/dbraw/zinc/08/07/40/206080740.db2.gz BFJJSCNVFWPROQ-SFHVURJKSA-N 0 0 364.405 4.154 50 5 FIBARN Cc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cnn1-c1ccccc1Cl ZINC000112164206 206086291 /nfs/dbraw/zinc/08/62/91/206086291.db2.gz NMOVBSYHWMLHSW-UHFFFAOYSA-N 0 0 370.796 4.303 50 5 FIBARN Cc1ccc(NC(=O)c2sc(N)nc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000000756484 206133037 /nfs/dbraw/zinc/13/30/37/206133037.db2.gz HMEPGTZZFGZJNH-UHFFFAOYSA-N 0 0 368.418 4.170 50 5 FIBARN O=[N+]([O-])c1cccc(S(=O)(=O)Oc2ccc3oc4ccccc4c3c2)c1 ZINC000002694668 206155573 /nfs/dbraw/zinc/15/55/73/206155573.db2.gz DKVKMDMLLNXXDV-UHFFFAOYSA-N 0 0 369.354 4.262 50 5 FIBARN Cc1nc2ccccc2nc1SCC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002699458 206155734 /nfs/dbraw/zinc/15/57/34/206155734.db2.gz IANLSQHFRNODOS-UHFFFAOYSA-N 0 0 373.821 4.475 50 5 FIBARN O=C(Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1)c1ccc(Cl)cc1 ZINC000003045108 206158033 /nfs/dbraw/zinc/15/80/33/206158033.db2.gz MVNSEEZFBYQOIH-UHFFFAOYSA-N 0 0 360.782 4.019 50 5 FIBARN O=C(OCc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000001122438 206144997 /nfs/dbraw/zinc/14/49/97/206144997.db2.gz ZUWLBNAVDIXAAC-UHFFFAOYSA-N 0 0 370.586 4.368 50 5 FIBARN O=C(Nc1nnc(-c2ccccc2)o1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000004276183 206175411 /nfs/dbraw/zinc/17/54/11/206175411.db2.gz FDJRSROVGAXCAR-UHFFFAOYSA-N 0 0 366.358 4.112 50 5 FIBARN O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc([N+](=O)[O-])s1 ZINC000004034026 206165194 /nfs/dbraw/zinc/16/51/94/206165194.db2.gz WBAXCMDEPVRVCL-UHFFFAOYSA-N 0 0 364.386 4.452 50 5 FIBARN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccc(C(F)(F)F)c1 ZINC000004071749 206166515 /nfs/dbraw/zinc/16/65/15/206166515.db2.gz WEGCZQVYWFYKDW-UHFFFAOYSA-N 0 0 367.308 4.476 50 5 FIBARN O=C(COc1cc(Cl)ccc1Cl)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000007783587 206210009 /nfs/dbraw/zinc/21/00/09/206210009.db2.gz IEHDWAYCZKCFKV-UHFFFAOYSA-N 0 0 359.140 4.058 50 5 FIBARN CCOc1ccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 ZINC000005652664 206198545 /nfs/dbraw/zinc/19/85/45/206198545.db2.gz OQTBYAMHOFMTIT-UHFFFAOYSA-N 0 0 369.402 4.369 50 5 FIBARN Cc1ccccc1OCC(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000006551395 206202265 /nfs/dbraw/zinc/20/22/65/206202265.db2.gz CJVJKIFXYPVXIF-UHFFFAOYSA-N 0 0 369.402 4.044 50 5 FIBARN Cc1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000000756556 206223143 /nfs/dbraw/zinc/22/31/43/206223143.db2.gz GQBCNVZOPNASOO-SOFGYWHQSA-N 0 0 361.195 4.318 50 5 FIBARN Cc1cc(C(=O)Nc2ccc(Br)cc2F)ccc1[N+](=O)[O-] ZINC000000834249 206225594 /nfs/dbraw/zinc/22/55/94/206225594.db2.gz WZXLAWCRRVVKQF-UHFFFAOYSA-N 0 0 353.147 4.057 50 5 FIBARN O=C(Nc1ccc(Cl)cc1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000005573386 206239897 /nfs/dbraw/zinc/23/98/97/206239897.db2.gz IAKXQGNYMYYNJH-UHFFFAOYSA-N 0 0 355.575 4.263 50 5 FIBARN C[C@@H]1CCC[C@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)[C@H]1C ZINC000106524122 206310133 /nfs/dbraw/zinc/31/01/33/206310133.db2.gz QQFXMJRGSYGKQY-GJYPPUQNSA-N 0 0 362.473 4.096 50 5 FIBARN Cc1cccc([N+](=O)[O-])c1NC(=O)c1cc(Br)ccc1F ZINC000004542193 206328924 /nfs/dbraw/zinc/32/89/24/206328924.db2.gz UVIBNVGJKNGXEI-UHFFFAOYSA-N 0 0 353.147 4.057 50 5 FIBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1Cc1ccccc1 ZINC000058165962 206394509 /nfs/dbraw/zinc/39/45/09/206394509.db2.gz AAHVZQVAQSIOMX-HYSAVQALSA-N 0 0 350.418 4.232 50 5 FIBARN Cc1ccc(C(=O)C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)c(C)c1 ZINC000026644491 206444743 /nfs/dbraw/zinc/44/47/43/206444743.db2.gz OCVUFNYILJFTLH-UHFFFAOYSA-N 0 0 352.434 4.307 50 5 FIBARN O=c1c2ccccc2nc(/C=C\c2ccc([N+](=O)[O-])o2)n1Cc1ccccc1 ZINC000033442666 206516460 /nfs/dbraw/zinc/51/64/60/206516460.db2.gz TXQNJFNBTXKEFJ-BENRWUELSA-N 0 0 373.368 4.116 50 5 FIBARN Cc1cccc2sc(NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)nc21 ZINC000058421804 221118173 /nfs/dbraw/zinc/11/81/73/221118173.db2.gz GPLYEDYWSKDXMR-UHFFFAOYSA-N 0 0 366.402 4.106 50 5 FIBARN Cc1c(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)cccc1[N+](=O)[O-] ZINC000001113755 132380190 /nfs/dbraw/zinc/38/01/90/132380190.db2.gz QNOBPXWAWHYVIN-UHFFFAOYSA-N 0 0 353.422 4.392 50 5 FIBARN O=C(Nc1cccc(Cl)c1N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000001396260 132381776 /nfs/dbraw/zinc/38/17/76/132381776.db2.gz HZRSWLXYPHORCJ-UHFFFAOYSA-N 0 0 359.813 4.491 50 5 FIBARN O=C(Nc1cc(F)cc(F)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000004668086 132387029 /nfs/dbraw/zinc/38/70/29/132387029.db2.gz WTUZJNSWRIHBAQ-UHFFFAOYSA-N 0 0 361.348 4.116 50 5 FIBARN O=C(Nc1ccc(C(=O)c2ccccc2)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000018194524 263373361 /nfs/dbraw/zinc/37/33/61/263373361.db2.gz LXTXIYSHYBSPDY-UHFFFAOYSA-N 0 0 361.357 4.470 50 5 FIBARN CCCC[C@@H](CC)C(=O)N(C)Cc1nc(-c2cccc([N+](=O)[O-])c2)c(C)[nH]1 ZINC000089953308 521013594 /nfs/dbraw/zinc/01/35/94/521013594.db2.gz GNXCFYMRUYAVPN-OAHLLOKOSA-N 0 0 372.469 4.468 50 5 FIBARN CCOC(=O)c1sc2cc([N+](=O)[O-])cc(SCC(C)C)c2c1N ZINC000000652379 568010787 /nfs/dbraw/zinc/01/07/87/568010787.db2.gz IBGBQSUIRPCAOX-UHFFFAOYSA-N 0 0 354.453 4.317 50 5 FIBARN O=C(COc1cc(Cl)ccc1Cl)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000000685882 568081303 /nfs/dbraw/zinc/08/13/03/568081303.db2.gz ZSLOXEZNPHEZMN-UHFFFAOYSA-N 0 0 359.140 4.058 50 5 FIBARN Cc1ccc(C(=O)Oc2ccc(C(=O)c3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000000710933 568120103 /nfs/dbraw/zinc/12/01/03/568120103.db2.gz KMCQGPORJXCODC-UHFFFAOYSA-N 0 0 361.353 4.353 50 5 FIBARN CCOc1ccc(-c2nnc(-c3cccc([N+](=O)[O-])c3)o2)cc1OCC ZINC000000832526 568318151 /nfs/dbraw/zinc/31/81/51/568318151.db2.gz HHECVHBZLGWEOM-UHFFFAOYSA-N 0 0 355.350 4.109 50 5 FIBARN O=C(Nc1cccc(Cl)c1N1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000004998913 570573192 /nfs/dbraw/zinc/57/31/92/570573192.db2.gz XWPIXUVDMDKGPK-UHFFFAOYSA-N 0 0 359.813 4.491 50 5 FIBARN Nc1nc(Nc2ccc(Cl)cc2)nc(Nc2cccc(F)c2)c1[N+](=O)[O-] ZINC000017248295 570747596 /nfs/dbraw/zinc/74/75/96/570747596.db2.gz KVCBQTTUGPKLTJ-UHFFFAOYSA-N 0 0 374.763 4.247 50 5 FIBARN Cc1cccc(NC(=O)CSc2nc3cc([N+](=O)[O-])ccc3o2)c1C ZINC000032777248 570795231 /nfs/dbraw/zinc/79/52/31/570795231.db2.gz VBVBIWMZFIWVJM-UHFFFAOYSA-N 0 0 357.391 4.084 50 5 FIBARN O=C(CSc1nc2cc([N+](=O)[O-])ccc2o1)Nc1cccc(Cl)c1 ZINC000032777239 570795268 /nfs/dbraw/zinc/79/52/68/570795268.db2.gz SADLXJXSNBRLMB-UHFFFAOYSA-N 0 0 363.782 4.120 50 5 FIBARN CC(C)c1ccc(C2=Nc3ncnn3[C@H](c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000102402019 570830961 /nfs/dbraw/zinc/83/09/61/570830961.db2.gz NAQBCOYVXGZECD-IBGZPJMESA-N 0 0 361.405 4.366 50 5 FIBARN C[C@@H]1CCC[C@@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)[C@@H]1C ZINC000026354273 571004793 /nfs/dbraw/zinc/00/47/93/571004793.db2.gz QQFXMJRGSYGKQY-GPMSIDNRSA-N 0 0 362.473 4.096 50 5 FIBARN Cc1nc(-c2cc3ccccc3oc2=O)cc2c3ccccc3oc(=O)c12 ZINC000000753995 571054882 /nfs/dbraw/zinc/05/48/82/571054882.db2.gz GSMVDEHIJKPMBB-UHFFFAOYSA-N 0 0 355.349 4.423 50 5 biogenic FIBARN O=C(OCc1ccccc1)Sc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000001144969 571069374 /nfs/dbraw/zinc/06/93/74/571069374.db2.gz VFSFPMOQJKSZPP-UHFFFAOYSA-N 0 0 357.347 4.074 50 5 FIBARN COc1ccc(C)cc1[C@H](C)NC(=O)N(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000040068820 571071340 /nfs/dbraw/zinc/07/13/40/571071340.db2.gz ZGALPXSWUCNAAM-GJZGRUSLSA-N 0 0 371.437 4.375 50 5 FIBARN CCc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1 ZINC000032962630 571074635 /nfs/dbraw/zinc/07/46/35/571074635.db2.gz AOHNRCVOZJTRPE-UHFFFAOYSA-N 0 0 353.422 4.400 50 5 FIBARN O=C(Oc1ccc(-c2cnc3ccccc3n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000000850667 571093171 /nfs/dbraw/zinc/09/31/71/571093171.db2.gz XDDLRLMPFMCLIV-UHFFFAOYSA-N 0 0 371.352 4.424 50 5 aggregator FIBARN CN(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000012774955 571093827 /nfs/dbraw/zinc/09/38/27/571093827.db2.gz QXALCVGJNPLPPX-UHFFFAOYSA-N 0 0 353.205 4.103 50 5 FIBARN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(OC(F)F)cc1 ZINC000012901524 571143041 /nfs/dbraw/zinc/14/30/41/571143041.db2.gz CEGNLBUPHXSINY-SECBINFHSA-N 0 0 370.739 4.341 50 5 FIBARN COc1ccc(-c2ccnc(SCc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000001040328 571143803 /nfs/dbraw/zinc/14/38/03/571143803.db2.gz QOYNYNJREJQYDL-UHFFFAOYSA-N 0 0 353.403 4.353 50 5 FIBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000001036244 571144009 /nfs/dbraw/zinc/14/40/09/571144009.db2.gz ZNNXTHUWLFOGRX-UHFFFAOYSA-N 0 0 365.716 4.100 50 5 FIBARN COc1nc2c(C)cccc2cc1-c1noc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000001063273 571145307 /nfs/dbraw/zinc/14/53/07/571145307.db2.gz ABYOLMRDMJLJQQ-UHFFFAOYSA-N 0 0 362.345 4.177 50 5 FIBARN Cc1cc(C(=O)Oc2ccc(C(=O)c3ccccc3)cc2)ccc1[N+](=O)[O-] ZINC000001100771 571146426 /nfs/dbraw/zinc/14/64/26/571146426.db2.gz AHUJBGKLOVUILH-UHFFFAOYSA-N 0 0 361.353 4.353 50 5 FIBARN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000001116130 571146756 /nfs/dbraw/zinc/14/67/56/571146756.db2.gz JJACQWGAYUOPAX-UHFFFAOYSA-N 0 0 370.386 4.188 50 5 FIBARN Cn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(Cl)cc1 ZINC000001119356 571146805 /nfs/dbraw/zinc/14/68/05/571146805.db2.gz ZDVJGIMPUUCMHA-UHFFFAOYSA-N 0 0 360.826 4.336 50 5 FIBARN CC(C)C(=O)Nc1cccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000001129661 571147280 /nfs/dbraw/zinc/14/72/80/571147280.db2.gz LELWJQFFRMJVAL-UHFFFAOYSA-N 0 0 361.785 4.095 50 5 FIBARN Cc1ccc(C(=O)OCc2cccc([N+](=O)[O-])c2)cc1Br ZINC000001135938 571147747 /nfs/dbraw/zinc/14/77/47/571147747.db2.gz UBLWMGLSTLFZML-UHFFFAOYSA-N 0 0 350.168 4.023 50 5 FIBARN CCn1c2ccccc2nc1SCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000001168320 571148740 /nfs/dbraw/zinc/14/87/40/571148740.db2.gz ZBWOGXYNGWDHAZ-UHFFFAOYSA-N 0 0 353.407 4.133 50 5 FIBARN Cc1cc(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000001166322 571149086 /nfs/dbraw/zinc/14/90/86/571149086.db2.gz PNZXTQUVZKOKCL-UHFFFAOYSA-N 0 0 359.813 4.409 50 5 FIBARN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(OCc2ccccc2)cc1 ZINC000001188867 571165197 /nfs/dbraw/zinc/16/51/97/571165197.db2.gz FTZMDSZSOUBLDW-UHFFFAOYSA-N 0 0 362.385 4.355 50 5 FIBARN Oc1ccc2c(c1)oc1c2nc2n[nH]cc2c1-c1ccc2c(c1)OCCO2 ZINC000217758207 571173403 /nfs/dbraw/zinc/17/34/03/571173403.db2.gz FSETVWUSPBXXMZ-UHFFFAOYSA-N 0 0 359.341 4.001 50 5 biogenic FIBARN Oc1ccc2c(c1)oc1c2nc2n[nH]cc2c1C1=Cc2ccccc2OC1 ZINC000217904353 571173412 /nfs/dbraw/zinc/17/34/12/571173412.db2.gz GUQPGZKJKCVWRU-UHFFFAOYSA-N 0 0 355.353 4.496 50 5 biogenic FIBARN CCc1ccccc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000012511168 571173561 /nfs/dbraw/zinc/17/35/61/571173561.db2.gz XRXZRARUAXNZSB-UHFFFAOYSA-N 0 0 353.422 4.012 50 5 FIBARN Cc1csc(-c2ccc(Oc3nc4ccccn4c3[N+](=O)[O-])cc2)n1 ZINC000012535646 571175840 /nfs/dbraw/zinc/17/58/40/571175840.db2.gz UKZRDUHTRNHPQC-UHFFFAOYSA-N 0 0 352.375 4.467 50 5 FIBARN C[C@H]1CCCC[C@H]1N(C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000012540216 571176891 /nfs/dbraw/zinc/17/68/91/571176891.db2.gz MVDOMDNEZVNSQA-QFBILLFUSA-N 0 0 362.473 4.192 50 5 FIBARN O=C(CCCNc1ccccc1[N+](=O)[O-])Nc1ccc(F)c(Cl)c1 ZINC000012555661 571180954 /nfs/dbraw/zinc/18/09/54/571180954.db2.gz PHAGICLJXUJPSY-UHFFFAOYSA-N 0 0 351.765 4.218 50 5 FIBARN Cc1noc(-c2ccc(C)cc2)c1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000035671957 571186911 /nfs/dbraw/zinc/18/69/11/571186911.db2.gz UZCJKYBXGJFLON-UHFFFAOYSA-N 0 0 351.362 4.427 50 5 FIBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(Cl)cc1 ZINC000011246809 571209686 /nfs/dbraw/zinc/20/96/86/571209686.db2.gz KTYVIGHTGVVJDW-UHFFFAOYSA-N 0 0 362.816 4.447 50 5 FIBARN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(-c2cn[nH]c2)c1 ZINC000089573930 571212672 /nfs/dbraw/zinc/21/26/72/571212672.db2.gz WRZLKWDFXGVXAB-LBPRGKRZSA-N 0 0 368.418 4.104 50 5 FIBARN Cc1ccc2[nH]cc(CCNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2c1 ZINC000013957949 571216796 /nfs/dbraw/zinc/21/67/96/571216796.db2.gz KHWONQZRLHSHST-UHFFFAOYSA-N 0 0 357.797 4.010 50 5 FIBARN Cc1ccc(S(=O)(=O)n2c3ccccc3c3cc([N+](=O)[O-])ccc32)cc1 ZINC000096592477 571230784 /nfs/dbraw/zinc/23/07/84/571230784.db2.gz JXYHYZVSJWWJTB-UHFFFAOYSA-N 0 0 366.398 4.248 50 5 FIBARN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000004799760 571236767 /nfs/dbraw/zinc/23/67/67/571236767.db2.gz PFRXQSPVXFZIRX-UHFFFAOYSA-N 0 0 364.745 4.417 50 5 FIBARN O=C(Nc1ccccc1Cl)c1cc([N+](=O)[O-])cc(Br)c1F ZINC000239667436 571264915 /nfs/dbraw/zinc/26/49/15/571264915.db2.gz BQBJZMSINILOAK-UHFFFAOYSA-N 0 0 373.565 4.402 50 5 FIBARN Cc1ccc([N+](=O)[O-])c(C)c1OC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000170641498 571277781 /nfs/dbraw/zinc/27/77/81/571277781.db2.gz WOVZZDRMDFOMQN-UHFFFAOYSA-N 0 0 357.410 4.260 50 5 FIBARN C[C@H]1CCCCN1c1ccc(-c2nc(-c3ccncc3)no2)cc1[N+](=O)[O-] ZINC000020898034 571331917 /nfs/dbraw/zinc/33/19/17/571331917.db2.gz PIMFOSKOOSUCIB-ZDUSSCGKSA-N 0 0 365.393 4.086 50 5 FIBARN Cc1nc2oc3ccc(F)cc3c(=O)c2cc1C(=O)OCc1ccccc1 ZINC000096191805 571334845 /nfs/dbraw/zinc/33/48/45/571334845.db2.gz ILNWZUZBWVVYIQ-UHFFFAOYSA-N 0 0 363.344 4.146 50 5 FIBARN COc1ccc(-c2nccc3c4cc([N+](=O)[O-])ccc4[nH]c32)cc1[N+](=O)[O-] ZINC000096316109 571335231 /nfs/dbraw/zinc/33/52/31/571335231.db2.gz VEXQFIVXOWSXCO-UHFFFAOYSA-N 0 0 364.317 4.208 50 5 FIBARN C/C=C/c1ccc(OCCOCCOc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000002985446 571343302 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O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(Br)c(Cl)c1 ZINC000002855062 206231060 /nfs/dbraw/zinc/23/10/60/206231060.db2.gz GFZIHMAMIHGIBG-UHFFFAOYSA-N 0 0 369.602 4.192 50 5 FIBARN CCOc1ccc(NC(=O)c2cccc(Br)c2)c([N+](=O)[O-])c1 ZINC000004031527 206236471 /nfs/dbraw/zinc/23/64/71/206236471.db2.gz GVRXKWFUAYHCOO-UHFFFAOYSA-N 0 0 365.183 4.008 50 5 FIBARN Cc1c(C(=O)N2CCC(CCc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000011228382 206283065 /nfs/dbraw/zinc/28/30/65/206283065.db2.gz VWXABAWWGLSZOR-UHFFFAOYSA-N 0 0 352.434 4.388 50 5 FIBARN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cc(Cl)cc(Cl)c1 ZINC000014898488 206312551 /nfs/dbraw/zinc/31/25/51/206312551.db2.gz RNGGSMKSYIAUSX-UHFFFAOYSA-N 0 0 354.193 4.342 50 5 FIBARN O=C(Nc1c(-c2ccccc2)nc2ccccn21)c1csc([N+](=O)[O-])c1 ZINC000193369814 206329082 /nfs/dbraw/zinc/32/90/82/206329082.db2.gz WCPWTVQVAPEERY-UHFFFAOYSA-N 0 0 364.386 4.223 50 5 FIBARN C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 ZINC000096997928 206544545 /nfs/dbraw/zinc/54/45/45/206544545.db2.gz 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ZINC000055543303 136126992 /nfs/dbraw/zinc/12/69/92/136126992.db2.gz PAVRTNNOJRTMMO-UHFFFAOYSA-N 0 0 366.248 4.224 50 5 FIBARN O=[N+]([O-])c1c(F)cccc1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000058358259 136131633 /nfs/dbraw/zinc/13/16/33/136131633.db2.gz AYLMCQGBCMAEGP-UHFFFAOYSA-N 0 0 369.318 4.079 50 5 FIBARN Cc1nc(S[C@H](C)c2cccc([N+](=O)[O-])c2)n(C[C@@H]2CCCO2)c1C ZINC000020990231 527022920 /nfs/dbraw/zinc/02/29/20/527022920.db2.gz KCKOYADQOAYSOL-PBHICJAKSA-N 0 0 361.467 4.440 50 5 FIBARN CC(=O)Nc1nc2c(c3c4ccccc4oc(=O)c13)C[C@H](C(C)(C)C)CC2 ZINC000000759033 570455398 /nfs/dbraw/zinc/45/53/98/570455398.db2.gz RWUOUAMTJFPZOJ-CYBMUJFWSA-N 0 0 364.445 4.451 50 5 FIBARN O=[N+]([O-])c1cc(F)c(N2CCc3sccc3C2)c(Br)c1 ZINC000072301799 570493776 /nfs/dbraw/zinc/49/37/76/570493776.db2.gz WKGJMFXYVQDCQR-UHFFFAOYSA-N 0 0 357.204 4.121 50 5 FIBARN COc1ccccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000004827283 570512543 /nfs/dbraw/zinc/51/25/43/570512543.db2.gz ZALTVHWPEYCKJJ-UHFFFAOYSA-N 0 0 366.171 4.010 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Cc1c(NC(=O)CN(C)Cc2ccc3ccccc3c2)cccc1[N+](=O)[O-] ZINC000012935854 571150622 /nfs/dbraw/zinc/15/06/22/571150622.db2.gz ZRBHEPHYYNUCGD-UHFFFAOYSA-N 0 0 363.417 4.127 50 5 FIBARN Cc1nc(Cc2ccccc2)sc1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000033158664 571159990 /nfs/dbraw/zinc/15/99/90/571159990.db2.gz YPMUVFFEGYGYON-UHFFFAOYSA-N 0 0 371.393 4.342 50 5 FIBARN CCCn1cnc2cc(-c3noc(-c4ccc([N+](=O)[O-])c(C)c4)n3)ccc21 ZINC000035453644 571171139 /nfs/dbraw/zinc/17/11/39/571171139.db2.gz IHIXRCSDADMVPM-UHFFFAOYSA-N 0 0 363.377 4.380 50 5 FIBARN O=c1c([N+](=O)[O-])c(Nc2cccc(Nc3ccccc3)c2)nc2ccccn21 ZINC000012521899 571174097 /nfs/dbraw/zinc/17/40/97/571174097.db2.gz SRRBVDNOFHULBC-UHFFFAOYSA-N 0 0 373.372 4.090 50 5 FIBARN C[C@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000012549906 571179083 /nfs/dbraw/zinc/17/90/83/571179083.db2.gz QXSPSFRNOMJHAZ-HNNXBMFYSA-N 0 0 368.437 4.024 50 5 FIBARN Cn1ccnc1[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC000012560353 571182646 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4.380 50 5 FIBARN O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000055007617 571318071 /nfs/dbraw/zinc/31/80/71/571318071.db2.gz FCPHHCYACJJUAX-UHFFFAOYSA-N 0 0 366.248 4.224 50 5 FIBARN O=[N+]([O-])c1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccco4)=NN32)cc1 ZINC000011990369 571322242 /nfs/dbraw/zinc/32/22/42/571322242.db2.gz GVEZHQDBCVNRSY-YLJYHZDGSA-N 0 0 361.357 4.430 50 5 FIBARN Cc1cc(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)c(C)n1-c1nccs1 ZINC000012975093 571322892 /nfs/dbraw/zinc/32/28/92/571322892.db2.gz RCFADKOFFFUWBO-UHFFFAOYSA-N 0 0 371.418 4.029 50 5 FIBARN COc1ccc(Nc2ccc([N+](=O)[O-])c(OC)c2)cc1Br ZINC000019872979 571327594 /nfs/dbraw/zinc/32/75/94/571327594.db2.gz TVSORTNASINSIK-UHFFFAOYSA-N 0 0 353.172 4.118 50 5 FIBARN O=[N+]([O-])c1ccccc1NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000020366025 571328825 /nfs/dbraw/zinc/32/88/25/571328825.db2.gz IBIFWURDGNEUJG-UHFFFAOYSA-N 0 0 360.723 4.186 50 5 FIBARN CCOC(=O)c1cnc2ccc([N+](=O)[O-])cc2c1NCc1ccc(C)cc1 ZINC000020405764 571329293 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COc1cc2c(cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)CCCC2 ZINC000002991769 219480793 /nfs/dbraw/zinc/48/07/93/219480793.db2.gz HQPISNKHVVKNHD-UHFFFAOYSA-N 0 0 360.797 4.388 50 5 FIBARN O=C(COc1ccccc1[N+](=O)[O-])N1c2ccccc2CCc2ccccc21 ZINC000001218060 203994814 /nfs/dbraw/zinc/99/48/14/203994814.db2.gz VAUWKHMPJXNDKA-UHFFFAOYSA-N 0 0 374.396 4.437 50 5 biogenic FIBARN O=[N+]([O-])c1cccc(-c2nc(=S)c3c(n2C[C@@H]2CCCO2)CCCC3)c1 ZINC000001077157 203981061 /nfs/dbraw/zinc/98/10/61/203981061.db2.gz RASLDBYHHDUHJJ-HNNXBMFYSA-N 0 0 371.462 4.246 50 5 FIBARN Cc1c(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000001161367 203989866 /nfs/dbraw/zinc/98/98/66/203989866.db2.gz MDACCIHDAVSNMW-UHFFFAOYSA-N 0 0 359.813 4.409 50 5 FIBARN COc1cc2c(c([N+](=O)[O-])c1)O[C@]1(C=C2)N(C)c2ccccc2C1(C)C ZINC000000825617 203955930 /nfs/dbraw/zinc/95/59/30/203955930.db2.gz XNKRDFHPVAZCQX-FQEVSTJZSA-N 0 0 352.390 4.133 50 5 FIBARN O=C(Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2)C1CCCCC1 ZINC000002483570 204040757 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Cc1cc(-c2cc3ccccc3oc2=O)nc2c3ccccc3oc(=O)c12 ZINC000000636503 206130875 /nfs/dbraw/zinc/13/08/75/206130875.db2.gz LMBDKKRQADAJOH-UHFFFAOYSA-N 0 0 355.349 4.423 50 5 biogenic FIBARN O=C(OCc1ccc(Br)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000001122353 206144689 /nfs/dbraw/zinc/14/46/89/206144689.db2.gz CXCWXJGIKUBERR-UHFFFAOYSA-N 0 0 370.586 4.368 50 5 FIBARN O=C(Nc1ccc(Br)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000002661082 206155271 /nfs/dbraw/zinc/15/52/71/206155271.db2.gz YVZKIYNSSVAAKC-UHFFFAOYSA-N 0 0 355.575 4.263 50 5 FIBARN Cc1c2nc(NC(=O)c3ccc([N+](=O)[O-])s3)sc2ccc1Cl ZINC000002723858 206156166 /nfs/dbraw/zinc/15/61/66/206156166.db2.gz ICPZUKALZGNWKB-UHFFFAOYSA-N 0 0 353.812 4.480 50 5 FIBARN CCc1nc2ccccc2c(C(=O)OCc2cccc([N+](=O)[O-])c2)c1C ZINC000003247730 206159644 /nfs/dbraw/zinc/15/96/44/206159644.db2.gz HTPIWKRLMMPDIB-UHFFFAOYSA-N 0 0 350.374 4.371 50 5 FIBARN Cc1nc2c(ccc3nc(NC(=O)c4cccc([N+](=O)[O-])c4)sc32)s1 ZINC000004173987 206171055 /nfs/dbraw/zinc/17/10/55/206171055.db2.gz 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CN1c2ccccc2C(C)(C)/C1=C\[C@@H](C[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000002474955 206230305 /nfs/dbraw/zinc/23/03/05/206230305.db2.gz IVZMWOLSZWXFMQ-BBJIBYMTSA-N 0 0 366.417 4.087 50 5 FIBARN Cc1ccc(C(=O)N2CCC(CCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000011228600 206283212 /nfs/dbraw/zinc/28/32/12/206283212.db2.gz IWWSJKWTFYZPDS-UHFFFAOYSA-N 0 0 352.434 4.388 50 5 FIBARN O=C(Nc1ccc(F)cc1)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 ZINC000013070436 206299782 /nfs/dbraw/zinc/29/97/82/206299782.db2.gz NPFQPWVZYJJEML-UHFFFAOYSA-N 0 0 357.385 4.367 50 5 FIBARN O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1c1cccc(Cl)c1 ZINC000000870620 132379147 /nfs/dbraw/zinc/37/91/47/132379147.db2.gz YROXXDKTNRTYTA-UHFFFAOYSA-N 0 0 352.733 4.202 50 5 FIBARN O=C(NCCC1=CCCCC1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000004660681 132387009 /nfs/dbraw/zinc/38/70/09/132387009.db2.gz CJLIAGYYKPFSER-UHFFFAOYSA-N 0 0 357.454 4.205 50 5 FIBARN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCCc2ccccc21 ZINC000003326414 136151740 /nfs/dbraw/zinc/15/17/40/136151740.db2.gz OHAPQJYOCRSBJA-LBPRGKRZSA-N 0 0 359.813 4.028 50 5 FIBARN O=C1c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C(=O)N1c1ccccc1 ZINC000000793748 568234766 /nfs/dbraw/zinc/23/47/66/568234766.db2.gz QOWFZRRLJNKIPX-UHFFFAOYSA-N 0 0 360.325 4.188 50 5 FIBARN C[C@@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCCO2 ZINC000075800568 570633120 /nfs/dbraw/zinc/63/31/20/570633120.db2.gz NVSUAZGQGZESER-GFCCVEGCSA-N 0 0 362.813 4.260 50 5 FIBARN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc2oc3ccccc3c2c1 ZINC000003012163 570656866 /nfs/dbraw/zinc/65/68/66/570656866.db2.gz WROSPYNCQJDYLQ-UHFFFAOYSA-N 0 0 358.309 4.295 50 5 FIBARN O=C(Cc1ccc(F)cc1)OCc1cc(=O)oc2ccc3ccccc3c12 ZINC000005633416 570682751 /nfs/dbraw/zinc/68/27/51/570682751.db2.gz JJNLUEYPZZAWIW-UHFFFAOYSA-N 0 0 362.356 4.371 50 5 FIBARN CC(=O)Oc1cn(Cc2ccccc2)c2nc(C)n3c4ccccc4nc3c12 ZINC000012558928 570750494 /nfs/dbraw/zinc/75/04/94/570750494.db2.gz GGHPTTUIOXZWQI-UHFFFAOYSA-N 0 0 370.412 4.119 50 5 FIBARN CCn1c(C)cc(C(=O)CSc2nc3cc([N+](=O)[O-])ccc3o2)c1C ZINC000032777356 570795118 /nfs/dbraw/zinc/79/51/18/570795118.db2.gz WKROSLSULQERKV-UHFFFAOYSA-N 0 0 359.407 4.149 50 5 FIBARN O=[N+]([O-])c1cccc(C2=Nc3ncnn3[C@H](c3c(F)cccc3Cl)C2)c1 ZINC000102799538 570838932 /nfs/dbraw/zinc/83/89/32/570838932.db2.gz WWMVFDUIGQLARG-HNNXBMFYSA-N 0 0 371.759 4.035 50 5 FIBARN O=C(NC[C@@H]1CC2c3ccccc3C1c1ccccc12)c1ccc([N+](=O)[O-])o1 ZINC000032903937 570842992 /nfs/dbraw/zinc/84/29/92/570842992.db2.gz UXCOGUDECLIVCZ-QMRWYURESA-N 0 0 374.396 4.215 50 5 FIBARN O=c1nc(-c2cccc([N+](=O)[O-])c2)[nH]c2sc3c(c21)CCCCCC3 ZINC000005728883 570863288 /nfs/dbraw/zinc/86/32/88/570863288.db2.gz VKJXECROHGBJOC-UHFFFAOYSA-N 0 0 355.419 4.219 50 5 FIBARN Cc1ccc(C(=O)OCc2csc(Nc3ccccc3)n2)cc1[N+](=O)[O-] ZINC000032956392 571023010 /nfs/dbraw/zinc/02/30/10/571023010.db2.gz FQKLHPUZCFBBOH-UHFFFAOYSA-N 0 0 369.402 4.460 50 5 FIBARN C[C@@H](Oc1cc(O)c2c(c1)oc1ccccc1c2=O)C(=O)c1ccccc1 ZINC000008489873 571048469 /nfs/dbraw/zinc/04/84/69/571048469.db2.gz VYCRPVANARMKGG-CYBMUJFWSA-N 0 0 360.365 4.302 50 5 biogenic FIBARN CC(C)(C)c1ccc(CNc2cc(N3CCOCC3)ccc2[N+](=O)[O-])cc1 ZINC000004182939 571061787 /nfs/dbraw/zinc/06/17/87/571061787.db2.gz REMVFZOWTBRQEF-UHFFFAOYSA-N 0 0 369.465 4.341 50 5 FIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn(-c2ccccc2)c1C1CC1 ZINC000040060256 571070899 /nfs/dbraw/zinc/07/08/99/571070899.db2.gz MGXVHTXEUQUIAO-UHFFFAOYSA-N 0 0 362.389 4.219 50 5 FIBARN CC[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000040090584 571075159 /nfs/dbraw/zinc/07/51/59/571075159.db2.gz KUYFWHBCUZIHPT-ZDUSSCGKSA-N 0 0 350.321 4.077 50 5 FIBARN C[C@H](c1ccc(Cl)cc1)N(CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000040155729 571087372 /nfs/dbraw/zinc/08/73/72/571087372.db2.gz LEMMGXPLOBPUSQ-CYBMUJFWSA-N 0 0 373.840 4.412 50 5 FIBARN CC(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000000861609 571093924 /nfs/dbraw/zinc/09/39/24/571093924.db2.gz DGMVBWFDRAQPMT-UHFFFAOYSA-N 0 0 350.330 4.310 50 5 FIBARN CC1=Nc2c(c(=O)[nH]n2C2CCCCC2)[C@H](c2ccc([N+](=O)[O-])cc2)S1 ZINC000085411860 571113358 /nfs/dbraw/zinc/11/33/58/571113358.db2.gz MTGZCPWTQDQEBC-INIZCTEOSA-N 0 0 372.450 4.476 50 5 FIBARN CCC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2[N+](=O)[O-])cc1 ZINC000012873567 571136147 /nfs/dbraw/zinc/13/61/47/571136147.db2.gz UMPNCPVINNTLKG-UHFFFAOYSA-N 0 0 353.378 4.083 50 5 FIBARN O=c1c2cc(-c3ccccc3)sc2ncn1Cc1ccc([N+](=O)[O-])cc1 ZINC000000955633 571140101 /nfs/dbraw/zinc/14/01/01/571140101.db2.gz UNESYZXOZOKXHY-UHFFFAOYSA-N 0 0 363.398 4.082 50 5 FIBARN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Nc3ccccc3)cc2)cc1 ZINC000000971839 571140965 /nfs/dbraw/zinc/14/09/65/571140965.db2.gz RFAKYJWAQIUPFV-UHFFFAOYSA-N 0 0 369.402 4.139 50 5 FIBARN CN(Cc1ccc(Br)c([N+](=O)[O-])c1)Cc1ccccc1F ZINC000157795947 571141868 /nfs/dbraw/zinc/14/18/68/571141868.db2.gz PVDLYISNKKZJMD-UHFFFAOYSA-N 0 0 353.191 4.128 50 5 FIBARN CC(C)c1nnc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)s1 ZINC000025323770 571144082 /nfs/dbraw/zinc/14/40/82/571144082.db2.gz WSFMUDBMEKEXMZ-UHFFFAOYSA-N 0 0 358.379 4.082 50 5 FIBARN Cc1cc(C(=O)OCc2ccccc2Br)ccc1[N+](=O)[O-] ZINC000001066778 571145191 /nfs/dbraw/zinc/14/51/91/571145191.db2.gz VBMAZRPBSJNGFZ-UHFFFAOYSA-N 0 0 350.168 4.023 50 5 FIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CSCc1cc(C)cc(C)c1 ZINC000001148165 571147275 /nfs/dbraw/zinc/14/72/75/571147275.db2.gz MDUIXFYYKZGNEG-UHFFFAOYSA-N 0 0 360.435 4.092 50 5 FIBARN Cc1sc2nc(-c3ccc(-c4cccc([N+](=O)[O-])c4)o3)[nH]c(=O)c2c1C ZINC000001198458 571165504 /nfs/dbraw/zinc/16/55/04/571165504.db2.gz RALJILQNACHCRE-UHFFFAOYSA-N 0 0 367.386 4.437 50 5 FIBARN O=C(Nc1ccccc1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001205794 571165862 /nfs/dbraw/zinc/16/58/62/571165862.db2.gz ZVYSIYVZXYJYKS-UHFFFAOYSA-N 0 0 361.357 4.099 50 5 FIBARN C[C@@H]1CCC[C@H](C)N1C(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000012587228 571187305 /nfs/dbraw/zinc/18/73/05/571187305.db2.gz FBLNUCKSPIGYGC-PHIMTYICSA-N 0 0 365.480 4.086 50 5 FIBARN Cc1nc(-c2ccc(CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cs1 ZINC000012613784 571191216 /nfs/dbraw/zinc/19/12/16/571191216.db2.gz UEGUBZLCJUTNEC-UHFFFAOYSA-N 0 0 367.430 4.265 50 5 FIBARN COc1ccc2cc(C(=O)O[C@H](C)c3cccc([N+](=O)[O-])c3)c(C)nc2c1 ZINC000023080134 571205800 /nfs/dbraw/zinc/20/58/00/571205800.db2.gz IUYYYPHLZGTJFB-CYBMUJFWSA-N 0 0 366.373 4.378 50 5 FIBARN O=C1S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1c1ccccc1 ZINC000016671553 571212055 /nfs/dbraw/zinc/21/20/55/571212055.db2.gz QWPIANFCGHIZMA-NTEUORMPSA-N 0 0 360.778 4.489 50 5 FIBARN CCOC(=O)c1ccc(-c2ccc(/C=C\c3onc(C)c3[N+](=O)[O-])o2)cc1 ZINC000016687893 571212637 /nfs/dbraw/zinc/21/26/37/571212637.db2.gz HVBZYNTXXBQWJT-LUAWRHEFSA-N 0 0 368.345 4.498 50 5 FIBARN CCCCN(C(=O)CC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000004800280 571236790 /nfs/dbraw/zinc/23/67/90/571236790.db2.gz FAXYLEDQATWNKW-UHFFFAOYSA-N 0 0 363.292 4.065 50 5 FIBARN C[C@H]1CCc2ccccc2N1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000007619284 571284322 /nfs/dbraw/zinc/28/43/22/571284322.db2.gz UNBPECGHLHIVKS-LBPRGKRZSA-N 0 0 359.813 4.028 50 5 FIBARN C[N+](C)([O-])CCO[C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000104121372 571294530 /nfs/dbraw/zinc/29/45/30/571294530.db2.gz IUEDGADEVAFNHF-QGZVFWFLSA-N 0 0 350.256 4.129 50 5 FIBARN Cc1ccc(C(=O)OCc2csc(-c3ccsc3)n2)cc1[N+](=O)[O-] ZINC000028082073 571337909 /nfs/dbraw/zinc/33/79/09/571337909.db2.gz XMDHXBUEADAHQL-UHFFFAOYSA-N 0 0 360.416 4.445 50 5 FIBARN Cc1cc(C)c(C(=O)COC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1C ZINC000003504864 571350530 /nfs/dbraw/zinc/35/05/30/571350530.db2.gz PBVHKWXNPKOVSJ-UHFFFAOYSA-N 0 0 361.781 4.213 50 5 FIBARN CCOc1ccc2nc(NC(=O)/C=C\c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000033693261 1122892355 /nfs/dbraw/zinc/89/23/55/1122892355.db2.gz VAJZSNPMBMKEJF-TWGQIWQCSA-N 0 0 369.402 4.255 50 5 FIBARN COc1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1OC(F)F ZINC000032905592 209854557 /nfs/dbraw/zinc/85/45/57/209854557.db2.gz JQOMMCWXAKHLQP-UHFFFAOYSA-N 0 0 372.711 4.111 50 5 FIBARN COc1ccccc1CNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000032682148 209849131 /nfs/dbraw/zinc/84/91/31/209849131.db2.gz AZMYYRBUTSALPZ-UHFFFAOYSA-N 0 0 371.271 4.143 50 5 FIBARN Cc1occc1C(=O)Nc1sccc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000001054866 219359871 /nfs/dbraw/zinc/35/98/71/219359871.db2.gz JGQIJNDHDQYSEQ-UHFFFAOYSA-N 0 0 371.374 4.062 50 5 FIBARN COc1cc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2)c(OC)cc1Cl ZINC000001141049 219379082 /nfs/dbraw/zinc/37/90/82/219379082.db2.gz LLCUYWOXXRYEHO-SNVBAGLBSA-N 0 0 364.785 4.008 50 5 FIBARN CCn1c2c(cccc2Cl)s/c1=N/C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000012180919 209563668 /nfs/dbraw/zinc/56/36/68/209563668.db2.gz MJCLRQUVTNUNRQ-FBMGVBCBSA-N 0 0 361.810 4.025 50 5 FIBARN Cc1nn([C@H](C(=O)c2ccc(C)cc2)c2ccc(C)cc2)c(C)c1[N+](=O)[O-] ZINC000005965587 219707060 /nfs/dbraw/zinc/70/70/60/219707060.db2.gz BELGCFBESQEVTB-FQEVSTJZSA-N 0 0 363.417 4.497 50 5 FIBARN Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(C(=O)Nc2ccc(Cl)cc2)s1 ZINC000001009722 209384372 /nfs/dbraw/zinc/38/43/72/209384372.db2.gz FNHAEMJJEWLNLV-UHFFFAOYSA-N 0 0 374.809 4.206 50 5 FIBARN COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccccc3Cl)nc21 ZINC000001518256 209391499 /nfs/dbraw/zinc/39/14/99/209391499.db2.gz ZBQOUVMLWCQQRG-UHFFFAOYSA-N 0 0 363.782 4.119 50 5 FIBARN O=C(OCc1ccc(Br)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000001117942 209385927 /nfs/dbraw/zinc/38/59/27/209385927.db2.gz VHQMYBBCTXWVDE-UHFFFAOYSA-N 0 0 370.586 4.368 50 5 FIBARN O=C(Oc1ccc(Br)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000000943815 209382914 /nfs/dbraw/zinc/38/29/14/209382914.db2.gz MXQUTUREFTVJSJ-UHFFFAOYSA-N 0 0 356.559 4.230 50 5 FIBARN O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1ccc(F)cc1 ZINC000000834552 209376731 /nfs/dbraw/zinc/37/67/31/209376731.db2.gz HJNHLPZUKUKYDN-UHFFFAOYSA-N 0 0 363.395 4.074 50 5 FIBARN CC(C)(C)c1ccc(/C=C2/N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc1 ZINC000000726035 209374177 /nfs/dbraw/zinc/37/41/77/209374177.db2.gz AGJWQUVOWZKAFP-GZTJUZNOSA-N 0 0 350.374 4.237 50 5 FIBARN COc1ccc(OC)c(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000024211880 206806512 /nfs/dbraw/zinc/80/65/12/206806512.db2.gz SPWCQJNHASHIGD-UHFFFAOYSA-N 0 0 356.300 4.243 50 5 FIBARN O=C(Cn1cc(/C=C/[N+](=O)[O-])c2ccccc21)Nc1ccc(Cl)cc1 ZINC000000661541 206821081 /nfs/dbraw/zinc/82/10/81/206821081.db2.gz RZKMZFXAWLGYSK-MDZDMXLPSA-N 0 0 355.781 4.181 50 5 FIBARN O=C(Nc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC000000823224 206836180 /nfs/dbraw/zinc/83/61/80/206836180.db2.gz CPYKMBKKORFWTA-UHFFFAOYSA-N 0 0 361.357 4.099 50 5 FIBARN Cc1c(OCc2ccc([N+](=O)[O-])cc2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000000944776 206847844 /nfs/dbraw/zinc/84/78/44/206847844.db2.gz GWNUWYLXAJSLNJ-UHFFFAOYSA-N 0 0 365.385 4.467 50 5 FIBARN Cc1nc(-c2ccccc2)sc1-c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000001047677 206858212 /nfs/dbraw/zinc/85/82/12/206858212.db2.gz XJRMRPRKJMVWEI-UHFFFAOYSA-N 0 0 354.347 4.337 50 5 FIBARN Cc1cc(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2n1 ZINC000001423683 206880970 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O=C(CSCc1c(F)cccc1Cl)Nc1cccc([N+](=O)[O-])c1 ZINC000003016881 571343528 /nfs/dbraw/zinc/34/35/28/571343528.db2.gz YWOQIYGNFXBABF-UHFFFAOYSA-N 0 0 354.790 4.259 50 5 FIBARN CCCCOc1ccc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1 ZINC000003039169 571343743 /nfs/dbraw/zinc/34/37/43/571343743.db2.gz OBCHYSSLRDIYEA-AQTBWJFISA-N 0 0 366.373 4.118 50 5 FIBARN O=C(Nc1nc(-c2cc3ccccc3o2)cs1)c1ccc([N+](=O)[O-])o1 ZINC000003194008 571345377 /nfs/dbraw/zinc/34/53/77/571345377.db2.gz WTNWEPRSIOZHQT-UHFFFAOYSA-N 0 0 355.331 4.310 50 5 FIBARN CN(C)c1ccc(C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)cc1 ZINC000003512750 571350592 /nfs/dbraw/zinc/35/05/92/571350592.db2.gz WGASDEVENYAKPX-UHFFFAOYSA-N 0 0 373.408 4.369 50 5 FIBARN O=C(Oc1ccc(C(=O)c2ccc(F)cc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000003615460 571351656 /nfs/dbraw/zinc/35/16/56/571351656.db2.gz SRAQZYCHFIDIDB-UHFFFAOYSA-N 0 0 365.316 4.184 50 5 FIBARN Cc1c(Cl)cccc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000004122595 571355731 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356.378 4.147 50 5 FIBARN O=[N+]([O-])c1ccc(COc2c(Cl)cc(CO)cc2Br)cc1 ZINC000001119578 219373164 /nfs/dbraw/zinc/37/31/64/219373164.db2.gz ADGXJXYCRVLAGL-UHFFFAOYSA-N 0 0 372.602 4.082 50 5 FIBARN O=C(COc1ccc(Cl)cc1Cl)OCc1ccc([N+](=O)[O-])cc1 ZINC000001136114 219378099 /nfs/dbraw/zinc/37/80/99/219378099.db2.gz NAHSPNVTDXVXEO-UHFFFAOYSA-N 0 0 356.161 4.024 50 5 FIBARN Cc1noc(/C=C/c2c(C)nn(-c3ccc(C)cc3C)c2C)c1[N+](=O)[O-] ZINC000001160571 219383889 /nfs/dbraw/zinc/38/38/89/219383889.db2.gz ZIKGVRFJIAEDGT-VQHVLOKHSA-N 0 0 352.394 4.481 50 5 FIBARN CC(C)C(=O)Nc1ccc(Nc2ccc([N+](=O)[O-])c3cnccc23)cc1 ZINC000025370164 209731960 /nfs/dbraw/zinc/73/19/60/209731960.db2.gz VGNLHENWJSDYDS-UHFFFAOYSA-N 0 0 350.378 4.481 50 5 FIBARN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC1CCCC1 ZINC000024929372 209721207 /nfs/dbraw/zinc/72/12/07/209721207.db2.gz BBEVUGGHKDPSCS-UHFFFAOYSA-N 0 0 356.378 4.177 50 5 FIBARN C[C@@H]1CC(=O)N(c2ccc(NC3CCCCCCC3)c([N+](=O)[O-])c2)C1=O ZINC000004684389 219595462 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O=C(Nc1ccc(Br)cc1F)c1ccc([N+](=O)[O-])cc1Cl ZINC000002638680 571339561 /nfs/dbraw/zinc/33/95/61/571339561.db2.gz ZMMOPPKFWMZWDB-UHFFFAOYSA-N 0 0 373.565 4.402 50 5 FIBARN Cc1csc(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000002725815 571340588 /nfs/dbraw/zinc/34/05/88/571340588.db2.gz NZNCXDHJOWVIGA-MRVPVSSYSA-N 0 0 357.844 4.132 50 5 FIBARN O=C(NCc1ccccc1)c1ccc(COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000002769387 571340867 /nfs/dbraw/zinc/34/08/67/571340867.db2.gz JXCYNQDPBGCSEA-UHFFFAOYSA-N 0 0 362.385 4.104 50 5 FIBARN O=C1CS[C@@H](c2ccccc2[N+](=O)[O-])N1c1ccc(F)c(Cl)c1 ZINC000002949293 571342104 /nfs/dbraw/zinc/34/21/04/571342104.db2.gz MAOQWJFGVCDYPT-HNNXBMFYSA-N 0 0 352.774 4.166 50 5 FIBARN CC(=O)c1ccc(Nc2ccc(F)c(NC(=O)C3CC3)c2)c([N+](=O)[O-])c1 ZINC000029526691 571342723 /nfs/dbraw/zinc/34/27/23/571342723.db2.gz XJBFUOFXFNJAGB-UHFFFAOYSA-N 0 0 357.341 4.029 50 5 FIBARN Cc1c(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)cccc1[N+](=O)[O-] ZINC000002978774 571343056 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Cc1c(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cccc1[N+](=O)[O-] ZINC000008137017 207220711 /nfs/dbraw/zinc/22/07/11/207220711.db2.gz JBTSWPCQDDCGIT-UHFFFAOYSA-N 0 0 365.345 4.001 50 5 FIBARN CCN(C(C)=O)c1nc(/C=C/c2nc3cc([N+](=O)[O-])ccc3s2)cs1 ZINC000008705379 207241861 /nfs/dbraw/zinc/24/18/61/207241861.db2.gz LSQGRNZKCNILLO-QPJJXVBHSA-N 0 0 374.447 4.204 50 5 FIBARN O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000008367422 207231624 /nfs/dbraw/zinc/23/16/24/207231624.db2.gz VOGMIKUGPJNPKQ-CYBMUJFWSA-N 0 0 367.430 4.224 50 5 FIBARN CNc1nc(-c2ccc([N+](=O)[O-])cc2)c(C(=O)Nc2ccccc2)s1 ZINC000008391168 207232374 /nfs/dbraw/zinc/23/23/74/207232374.db2.gz ONFJSSDILIZZJM-UHFFFAOYSA-N 0 0 354.391 4.012 50 5 FIBARN CC(C)(C)[C@H]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000008586784 207237416 /nfs/dbraw/zinc/23/74/16/207237416.db2.gz CIGONWDLTMECCH-LBPRGKRZSA-N 0 0 359.451 4.455 50 5 FIBARN O=[N+]([O-])c1cc(-c2nc(-c3ccccc3)no2)ccc1N1CCCCC1 ZINC000008586962 207237730 /nfs/dbraw/zinc/23/77/30/207237730.db2.gz IWORPRMEGXXCTA-UHFFFAOYSA-N 0 0 350.378 4.302 50 5 FIBARN O=[N+]([O-])c1cccnc1Sc1nnc(-c2ccco2)n1C1CCCCC1 ZINC000008745604 207246601 /nfs/dbraw/zinc/24/66/01/207246601.db2.gz MOOWDYFZJHDVSW-UHFFFAOYSA-N 0 0 371.422 4.498 50 5 FIBARN Cc1ccsc1CN(Cc1ccco1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000008916480 207251120 /nfs/dbraw/zinc/25/11/20/207251120.db2.gz TYSJCRHULSAWID-UHFFFAOYSA-N 0 0 356.403 4.400 50 5 FIBARN Nc1nc(Nc2cccc(Cl)c2)nc(Nc2ccccc2)c1[N+](=O)[O-] ZINC000009009497 207255345 /nfs/dbraw/zinc/25/53/45/207255345.db2.gz LSAZFTGIOISDMI-UHFFFAOYSA-N 0 0 356.773 4.108 50 5 FIBARN COc1ccc(CN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C2CC2)cc1 ZINC000012912941 207435395 /nfs/dbraw/zinc/43/53/95/207435395.db2.gz KGNJVTUQVQQSBR-UHFFFAOYSA-N 0 0 372.446 4.130 50 5 FIBARN CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)cc1Cl ZINC000015009793 207539277 /nfs/dbraw/zinc/53/92/77/207539277.db2.gz BCUOAIYFYNGLFD-UHFFFAOYSA-N 0 0 365.792 4.486 50 5 FIBARN C[C@H](NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1ccco1 ZINC000018209729 207631745 /nfs/dbraw/zinc/63/17/45/207631745.db2.gz KSEYRAXQFLTMOU-ZDUSSCGKSA-N 0 0 351.362 4.422 50 5 FIBARN Cc1ccc(-n2ccc3c(cnc4nc5ccccc5n43)c2=O)cc1Cl ZINC000019959402 207721881 /nfs/dbraw/zinc/72/18/81/207721881.db2.gz DVHUPGHLECHNHH-UHFFFAOYSA-N 0 0 360.804 4.148 50 5 FIBARN Cc1nc2cc(Cl)ccc2cc1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000024916438 207878473 /nfs/dbraw/zinc/87/84/73/207878473.db2.gz OBWBHUWZBDJBBF-UHFFFAOYSA-N 0 0 367.792 4.308 50 5 FIBARN Cc1ccccc1[C@H](C)NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000032777382 208040787 /nfs/dbraw/zinc/04/07/87/208040787.db2.gz ZGWHWLYGVKMKGX-LBPRGKRZSA-N 0 0 371.418 4.014 50 5 FIBARN C[C@H](OCCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000032907552 208054115 /nfs/dbraw/zinc/05/41/15/208054115.db2.gz NYKKQBBYTAKRAW-ZDUSSCGKSA-N 0 0 362.813 4.146 50 5 FIBARN O=C(OCc1csc(Nc2ccccc2)n1)c1ccccc1[N+](=O)[O-] ZINC000032941928 208060252 /nfs/dbraw/zinc/06/02/52/208060252.db2.gz XTYBPEFEYARQMK-UHFFFAOYSA-N 0 0 355.375 4.152 50 5 FIBARN Cc1ccc([C@H]2SCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000035816488 208137266 /nfs/dbraw/zinc/13/72/66/208137266.db2.gz HHKQXZNBPHRFIF-CLOLKSBNSA-N 0 0 368.458 4.499 50 5 FIBARN O=C(Nc1ccccc1-c1ccccc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000040079749 208222910 /nfs/dbraw/zinc/22/29/10/208222910.db2.gz OCUIPTGUCGVBHA-UHFFFAOYSA-N 0 0 358.357 4.390 50 5 FIBARN Cc1ccc(-c2nc(CN(C)[C@H](C)c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000040497695 208254594 /nfs/dbraw/zinc/25/45/94/208254594.db2.gz PBEGHSIDMVACHO-CQSZACIVSA-N 0 0 352.394 4.146 50 5 FIBARN CC(=O)NCc1ccc(-c2csc(-c3ccc([N+](=O)[O-])cc3)n2)s1 ZINC000055050562 208460814 /nfs/dbraw/zinc/46/08/14/208460814.db2.gz CYIKYJKDEGTQJJ-UHFFFAOYSA-N 0 0 359.432 4.083 50 5 FIBARN CC(C)Oc1ccc(-c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000061997153 208602142 /nfs/dbraw/zinc/60/21/42/208602142.db2.gz GHIVMCNJTWGYMN-UHFFFAOYSA-N 0 0 367.361 4.289 50 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O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1ccc2c(c1)OCO2 ZINC000003511590 570662417 /nfs/dbraw/zinc/66/24/17/570662417.db2.gz XXZRKMHNPQGADY-UHFFFAOYSA-N 0 0 374.348 4.032 50 5 FIBARN CC(C)c1ccc([C@H]2C[C@H](c3cccc([N+](=O)[O-])c3)n3ncnc3N2)cc1 ZINC000002919380 570676180 /nfs/dbraw/zinc/67/61/80/570676180.db2.gz FGWRIIPIXKOPHG-RTBURBONSA-N 0 0 363.421 4.456 50 5 FIBARN COCCn1c(-c2cccc([N+](=O)[O-])c2)cs/c1=N\c1ccccc1 ZINC000005578600 570677028 /nfs/dbraw/zinc/67/70/28/570677028.db2.gz QYNTUXWYJHJHED-HNENSFHCSA-N 0 0 355.419 4.004 50 5 FIBARN O=C(Cc1ccc([N+](=O)[O-])cc1)N(Cc1cccs1)Cc1cccs1 ZINC000024463899 570841954 /nfs/dbraw/zinc/84/19/54/570841954.db2.gz XCRJCMYBZIBEJJ-UHFFFAOYSA-N 0 0 372.471 4.489 50 5 FIBARN O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1cccc([N+](=O)[O-])c1 ZINC000001299606 571048329 /nfs/dbraw/zinc/04/83/29/571048329.db2.gz OSVWLHCZYHIKNY-UHFFFAOYSA-N 0 0 360.329 4.050 50 5 FIBARN CCn1c2ccccc2nc1S[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000008807483 571062096 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4.389 50 5 FIBARN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000001507181 571122696 /nfs/dbraw/zinc/12/26/96/571122696.db2.gz WMSCJGVAPPOKNO-UHFFFAOYSA-N 0 0 358.357 4.390 50 5 FIBARN CC(=CC(=O)Nc1ccc([N+](=O)[O-])cc1C)Nc1ccc([N+](=O)[O-])cc1C ZINC000210978103 571129953 /nfs/dbraw/zinc/12/99/53/571129953.db2.gz VNFVNELGEONXBB-RAXLEYEMSA-N 0 0 370.365 4.074 50 5 FIBARN COc1ccc(C(=O)Nc2cccc(OC3CCCC3)c2)cc1[N+](=O)[O-] ZINC000012885769 571142429 /nfs/dbraw/zinc/14/24/29/571142429.db2.gz NSBYCISFSLNNLW-UHFFFAOYSA-N 0 0 356.378 4.177 50 5 FIBARN Cn1cc(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cn1 ZINC000025305451 571142953 /nfs/dbraw/zinc/14/29/53/571142953.db2.gz ZUZOHPGRBXUSAL-UHFFFAOYSA-N 0 0 372.768 4.026 50 5 FIBARN O=[N+]([O-])c1ccc(OC[C@@H]2CC(c3ccc(Cl)cc3Cl)=NO2)cc1 ZINC000001035327 571144012 /nfs/dbraw/zinc/14/40/12/571144012.db2.gz RLXUFHDHVGAMQF-ZDUSSCGKSA-N 0 0 367.188 4.474 50 5 FIBARN O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000025387020 571145354 /nfs/dbraw/zinc/14/53/54/571145354.db2.gz CGGIOQOWBVLPRC-UHFFFAOYSA-N 0 0 374.352 4.147 50 5 FIBARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000001134907 571147361 /nfs/dbraw/zinc/14/73/61/571147361.db2.gz OARAJLARXUETOG-UHFFFAOYSA-N 0 0 352.749 4.183 50 5 FIBARN O=C(COc1ccc(Cl)cc1Cl)OCc1cccc([N+](=O)[O-])c1 ZINC000001136666 571147721 /nfs/dbraw/zinc/14/77/21/571147721.db2.gz WVEMYXXBSWVOPJ-UHFFFAOYSA-N 0 0 356.161 4.024 50 5 FIBARN O=C(Cc1csc(-c2ccsc2)n1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000012944752 571153448 /nfs/dbraw/zinc/15/34/48/571153448.db2.gz PJEIMBUKMQTFRJ-UHFFFAOYSA-N 0 0 363.395 4.100 50 5 FIBARN COc1cc2c(cc1OC)C1(CCCC1)CN=C2c1ccc([N+](=O)[O-])cc1 ZINC000001180731 571165204 /nfs/dbraw/zinc/16/52/04/571165204.db2.gz BHHMFHBAGYTDGC-UHFFFAOYSA-N 0 0 366.417 4.275 50 5 FIBARN Cc1cc(C)c(OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c(Cl)c1 ZINC000001186212 571165307 /nfs/dbraw/zinc/16/53/07/571165307.db2.gz XRLDGTUIOUSCNT-UHFFFAOYSA-N 0 0 352.749 4.022 50 5 FIBARN Cc1c(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)cccc1[N+](=O)[O-] ZINC000001208375 571165823 /nfs/dbraw/zinc/16/58/23/571165823.db2.gz PIAFRKDUJZACRS-UHFFFAOYSA-N 0 0 365.345 4.001 50 5 FIBARN O=c1cc(C(F)(F)F)c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2o1 ZINC000001216779 571166333 /nfs/dbraw/zinc/16/63/33/571166333.db2.gz OCCHEMPUDVTSBN-UHFFFAOYSA-N 0 0 365.263 4.299 50 5 FIBARN C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000001218691 571166440 /nfs/dbraw/zinc/16/64/40/571166440.db2.gz GVVAAYRMUUFBCF-SECBINFHSA-N 0 0 355.177 4.308 50 5 FIBARN Cc1ccccc1/C=C1/SC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O ZINC000006207774 571166748 /nfs/dbraw/zinc/16/67/48/571166748.db2.gz LXLUBPKHGJOCSG-MHWRWJLKSA-N 0 0 354.387 4.140 50 5 FIBARN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])o1 ZINC000001217374 571171205 /nfs/dbraw/zinc/17/12/05/571171205.db2.gz MFKKDFBZGLWCGZ-UHFFFAOYSA-N 0 0 368.189 4.478 50 5 FIBARN CCCn1c2ccccc2nc1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000001812012 571197364 /nfs/dbraw/zinc/19/73/64/571197364.db2.gz JHYHCAJBMDNIDM-UHFFFAOYSA-N 0 0 358.379 4.414 50 5 FIBARN CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)OC12CCC(C(C)(C)C)CC2 ZINC000001830134 571197458 /nfs/dbraw/zinc/19/74/58/571197458.db2.gz NHPVVFVHOSLVAG-UHFFFAOYSA-N 0 0 359.426 4.068 50 5 FIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@]1(c2ccccc2)CC1(Cl)Cl ZINC000002067637 571225048 /nfs/dbraw/zinc/22/50/48/571225048.db2.gz DRTIDBWWYVBYEO-MRXNPFEDSA-N 0 0 365.216 4.357 50 5 FIBARN O=C1CS[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc(F)c(Cl)c1 ZINC000002485114 571252251 /nfs/dbraw/zinc/25/22/51/571252251.db2.gz ZDOXJBUSYAQQRP-HNNXBMFYSA-N 0 0 352.774 4.166 50 5 FIBARN O=C1CS[C@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc(F)c(Cl)c1 ZINC000002485116 571252256 /nfs/dbraw/zinc/25/22/56/571252256.db2.gz ZDOXJBUSYAQQRP-OAHLLOKOSA-N 0 0 352.774 4.166 50 5 FIBARN O=C(CC[C@H]1CCCCO1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000089780858 571273106 /nfs/dbraw/zinc/27/31/06/571273106.db2.gz BAHNSLLLENLNNZ-CQSZACIVSA-N 0 0 361.423 4.006 50 5 FIBARN Cc1cc(NC(=O)/C=C\c2ccccc2)nc2c3ccccc3oc(=O)c12 ZINC000017014072 571274748 /nfs/dbraw/zinc/27/47/48/571274748.db2.gz QWPAMMKAUMUIHJ-QXMHVHEDSA-N 0 0 356.381 4.302 50 5 FIBARN CC(C)Cn1c2ncn(C3CCCC3)c(=O)c2c2nc3ccccc3nc21 ZINC000002248142 571293753 /nfs/dbraw/zinc/29/37/53/571293753.db2.gz HNKPAPAWAWIFTP-UHFFFAOYSA-N 0 0 361.449 4.066 50 5 FIBARN Cc1ccc(-n2c(=O)c3c(nc2-c2ccco2)oc2ccccc2c3=O)cc1 ZINC000002445383 571322442 /nfs/dbraw/zinc/32/24/42/571322442.db2.gz MJIAFLTYRQJKJM-UHFFFAOYSA-N 0 0 370.364 4.061 50 5 FIBARN O=C1OC(c2cccc(Cl)c2)=N/C1=C\C=C\c1cccc([N+](=O)[O-])c1 ZINC000019948761 571327769 /nfs/dbraw/zinc/32/77/69/571327769.db2.gz XONNFMQYOZESEL-QQDISNATSA-N 0 0 354.749 4.149 50 5 FIBARN O=C(Nc1ccc(F)cc1Br)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000020430887 571329372 /nfs/dbraw/zinc/32/93/72/571329372.db2.gz MFWXCVPUHJAHTM-UHFFFAOYSA-N 0 0 373.565 4.402 50 5 FIBARN Cc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000020437373 571329440 /nfs/dbraw/zinc/32/94/40/571329440.db2.gz KMVHLGXXVSGHPO-LJQANCHMSA-N 0 0 360.373 4.069 50 5 FIBARN Cc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000020437369 571329445 /nfs/dbraw/zinc/32/94/45/571329445.db2.gz UPGFCEGNOYISGG-IBGZPJMESA-N 0 0 360.373 4.069 50 5 FIBARN COC(=O)COc1cc(-c2cccc(Cl)c2)nc2ccc([N+](=O)[O-])cc21 ZINC000021658097 571335422 /nfs/dbraw/zinc/33/54/22/571335422.db2.gz MBHALVWJHUEICS-UHFFFAOYSA-N 0 0 372.764 4.015 50 5 FIBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCc1ccc(Cl)c(Cl)c1 ZINC000002742700 571340703 /nfs/dbraw/zinc/34/07/03/571340703.db2.gz VDLOPVNNRVPVQG-XBXARRHUSA-N 0 0 351.189 4.231 50 5 FIBARN COC(=O)c1sc2cc([N+](=O)[O-])cc(SCc3ccco3)c2c1N ZINC000002765037 571340828 /nfs/dbraw/zinc/34/08/28/571340828.db2.gz FWEBCIFVPBISII-UHFFFAOYSA-N 0 0 364.404 4.064 50 5 FIBARN CC(C)(C)[C@H]1CCc2c(sc3nc(-c4ccc([N+](=O)[O-])o4)[nH]c(=O)c32)C1 ZINC000002815043 571341280 /nfs/dbraw/zinc/34/12/80/571341280.db2.gz SWSKVCVASIXBCS-VIFPVBQESA-N 0 0 373.434 4.304 50 5 FIBARN COc1ccc(Cl)cc1N1C(=O)CS[C@H]1c1ccccc1[N+](=O)[O-] ZINC000002949579 571342166 /nfs/dbraw/zinc/34/21/66/571342166.db2.gz RFBUYVCEWHSOGU-INIZCTEOSA-N 0 0 364.810 4.035 50 5 FIBARN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1cccs1 ZINC000029797122 571343123 /nfs/dbraw/zinc/34/31/23/571343123.db2.gz RARMPPVTPMSJFC-MRXNPFEDSA-N 0 0 371.462 4.234 50 5 FIBARN Cc1ccc2c(CN(C)Cc3cc([N+](=O)[O-])ccc3Cl)cc(=O)oc2c1 ZINC000057517352 571344028 /nfs/dbraw/zinc/34/40/28/571344028.db2.gz QESJYFPQUGFMDD-UHFFFAOYSA-N 0 0 372.808 4.295 50 5 FIBARN O=C1OC(c2ccc(Cl)cc2)=N/C1=C\C=C\c1ccc([N+](=O)[O-])cc1 ZINC000003114522 571344863 /nfs/dbraw/zinc/34/48/63/571344863.db2.gz HTXKRDOKGXCNLJ-HMFGGZQFSA-N 0 0 354.749 4.149 50 5 FIBARN Cn1cc(C(=O)c2ccc(Cl)cc2)cc1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000003172945 571345201 /nfs/dbraw/zinc/34/52/01/571345201.db2.gz SMBZFIZWOURMDY-UHFFFAOYSA-N 0 0 368.776 4.049 50 5 FIBARN O=c1c2ccccc2c2nc3c4ccccc4c(=O)c3c(-c3ccccn3)c12 ZINC000003179088 571345260 /nfs/dbraw/zinc/34/52/60/571345260.db2.gz ZBBVNJUJJQQGGM-UHFFFAOYSA-N 0 0 360.372 4.352 50 5 FIBARN CC(C)(C)[C@@H]1CCc2nc(NC(=O)c3cccc([N+](=O)[O-])c3)sc2C1 ZINC000003207608 571345525 /nfs/dbraw/zinc/34/55/25/571345525.db2.gz ANMXGMLJYWGNHL-GFCCVEGCSA-N 0 0 359.451 4.455 50 5 FIBARN C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000003515401 571350674 /nfs/dbraw/zinc/35/06/74/571350674.db2.gz YZLRCCRSXMRVGF-SNVBAGLBSA-N 0 0 354.284 4.020 50 5 FIBARN O=[N+]([O-])c1cccc(CSc2nnc(C3CC3)n2-c2ccccc2)c1 ZINC000003520138 571350689 /nfs/dbraw/zinc/35/06/89/571350689.db2.gz MWHPUIWMTNDWMB-UHFFFAOYSA-N 0 0 352.419 4.345 50 5 FIBARN CC(C)(C)c1ccc(NC(=S)NC(=O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000003878163 571352849 /nfs/dbraw/zinc/35/28/49/571352849.db2.gz ZOOFKBCQNKKVJB-UHFFFAOYSA-N 0 0 357.435 4.019 50 5 FIBARN COc1cccc(OCCNc2cc(N3CCCCC3)ccc2[N+](=O)[O-])c1 ZINC000004181002 571356542 /nfs/dbraw/zinc/35/65/42/571356542.db2.gz LDEYTFPHRHGQRH-UHFFFAOYSA-N 0 0 371.437 4.085 50 5 FIBARN COC(=O)c1cc2ccccc2cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000008119898 571359034 /nfs/dbraw/zinc/35/90/34/571359034.db2.gz RUYBWDMMHNLWBG-UHFFFAOYSA-N 0 0 368.301 4.235 50 5 FIBARN Cc1ccc(C)c(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000008180642 571359668 /nfs/dbraw/zinc/35/96/68/571359668.db2.gz KBJXUUKJJJFVRG-UHFFFAOYSA-N 0 0 353.422 4.067 50 5 FIBARN O=[N+]([O-])c1cc([N+](=O)[O-])c(Sc2nc3ccccc3[nH]2)c2ncccc12 ZINC000022107863 1081230274 /nfs/dbraw/zinc/23/02/74/1081230274.db2.gz YMIQJNOTIUVLFB-UHFFFAOYSA-N 0 0 367.346 4.079 50 5 FIBARN CN(C1=NC(=O)S/C1=C\c1cccc([N+](=O)[O-])c1)c1ccc(O)cc1 ZINC000022184899 1081496051 /nfs/dbraw/zinc/49/60/51/1081496051.db2.gz PNBOLQHZPSMGSW-GDNBJRDFSA-N 0 0 355.375 4.043 50 5 FIBARN O=C(NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000000672387 210261167 /nfs/dbraw/zinc/26/11/67/210261167.db2.gz XNHZHEAESKWFOH-UHFFFAOYSA-N 0 0 370.217 4.028 50 5 FIBARN O=C1OC(c2ccccc2[N+](=O)[O-])=N/C1=C/c1ccc(Cl)cc1Cl ZINC000000663398 210259077 /nfs/dbraw/zinc/25/90/77/210259077.db2.gz MSFJNMVRYYTNCT-NTUHNPAUSA-N 0 0 363.156 4.246 50 5 FIBARN O=C(Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1)c1ccc(O)cc1 ZINC000000652267 210257633 /nfs/dbraw/zinc/25/76/33/210257633.db2.gz FKRBBWCVLHHOLL-UHFFFAOYSA-N 0 0 350.330 4.345 50 5 FIBARN COc1ccc(-c2c3c[nH]nc3nc3c4ccc(O)cc4oc32)c(OC)c1 ZINC000096221013 210238687 /nfs/dbraw/zinc/23/86/87/210238687.db2.gz SAKMWORZBVWESJ-UHFFFAOYSA-N 0 0 361.357 4.247 50 5 biogenic FIBARN CCOC(=O)c1c(C)oc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc21 ZINC000001463415 210227060 /nfs/dbraw/zinc/22/70/60/210227060.db2.gz ZBGRXJOCVOHUCF-UHFFFAOYSA-N 0 0 369.329 4.045 50 5 FIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)Oc1cc(C)c(Cl)c(C)c1 ZINC000004795778 210106523 /nfs/dbraw/zinc/10/65/23/210106523.db2.gz YIMVRPGVAKJBSN-UHFFFAOYSA-N 0 0 350.758 4.485 50 5 FIBARN Cc1nc([N+](=O)[O-])c(Sc2nc3ccccc3o2)n1Cc1ccccc1 ZINC000000854057 219332007 /nfs/dbraw/zinc/33/20/07/219332007.db2.gz WWWYPCXRERXMGO-UHFFFAOYSA-N 0 0 366.402 4.440 50 5 FIBARN CCC(C)(C)c1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000001005609 219352546 /nfs/dbraw/zinc/35/25/46/219352546.db2.gz RYUQMKPYCNSLPA-UHFFFAOYSA-N 0 0 354.819 4.040 50 5 FIBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cc(Br)ccc1Cl ZINC000001168048 219384943 /nfs/dbraw/zinc/38/49/43/219384943.db2.gz RNUVKCCZKANHPD-UHFFFAOYSA-N 0 0 373.565 4.402 50 5 FIBARN CCOC(=O)c1c2c(sc1-c1ccc([N+](=O)[O-])cc1)COC(C)(C)C2 ZINC000001315258 219394991 /nfs/dbraw/zinc/39/49/91/219394991.db2.gz KCSXCAYEXLOVGO-UHFFFAOYSA-N 0 0 361.419 4.351 50 5 FIBARN COc1cc(Cl)c(C)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000004670446 219593599 /nfs/dbraw/zinc/59/35/99/219593599.db2.gz FZNVELYEGPQQJD-UHFFFAOYSA-N 0 0 355.177 4.471 50 5 FIBARN Cc1nc(-c2ccc(CNC(=O)c3cccc([N+](=O)[O-])c3C)cc2)cs1 ZINC000012614529 220013586 /nfs/dbraw/zinc/01/35/86/220013586.db2.gz ANBKANCQVQLGJY-UHFFFAOYSA-N 0 0 367.430 4.265 50 5 FIBARN COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1OC(F)F ZINC000012874785 220037921 /nfs/dbraw/zinc/03/79/21/220037921.db2.gz BJMNCUJKTWGGES-UHFFFAOYSA-N 0 0 372.711 4.111 50 5 FIBARN Cc1c(CSc2nncn2[C@@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000053841004 211921264 /nfs/dbraw/zinc/92/12/64/211921264.db2.gz WUIYWNXNJNCHMW-AWEZNQCLSA-N 0 0 354.435 4.396 50 5 FIBARN CC(=O)c1ccc(Nc2ccc(OC[C@H]3CCCO3)cc2)c([N+](=O)[O-])c1 ZINC000040153792 211731398 /nfs/dbraw/zinc/73/13/98/211731398.db2.gz HAVFZASUIMRMLM-QGZVFWFLSA-N 0 0 356.378 4.099 50 5 FIBARN CSc1ccc(C(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000023503558 211391682 /nfs/dbraw/zinc/39/16/82/211391682.db2.gz VQSFGLXLBYVPKY-SNVBAGLBSA-N 0 0 366.389 4.428 50 5 FIBARN COC(=O)/C=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(OC)c1 ZINC000023078540 211376033 /nfs/dbraw/zinc/37/60/33/211376033.db2.gz NNSPJOCMEHAWTG-XBXARRHUSA-N 0 0 363.753 4.235 50 5 FIBARN O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1cccc([N+](=O)[O-])c1 ZINC000020140859 211269722 /nfs/dbraw/zinc/26/97/22/211269722.db2.gz HMIOYXCIXANYBC-UHFFFAOYSA-N 0 0 372.764 4.253 50 5 FIBARN CCOC(=O)/C=C\c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000016213621 211157703 /nfs/dbraw/zinc/15/77/03/211157703.db2.gz DGWJWZQKSNYFIL-QXMHVHEDSA-N 0 0 363.373 4.024 50 5 FIBARN Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)cccc1[N+](=O)[O-] ZINC000014604319 211096862 /nfs/dbraw/zinc/09/68/62/211096862.db2.gz RJIYRVDGTSMMGK-UHFFFAOYSA-N 0 0 367.327 4.240 50 5 FIBARN O=C(NCCOc1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000012998857 211016984 /nfs/dbraw/zinc/01/69/84/211016984.db2.gz HKEPLPNEVFYCLN-UHFFFAOYSA-N 0 0 370.792 4.210 50 5 FIBARN CN(Cc1ccc(C(C)(C)C)cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000012989939 211014794 /nfs/dbraw/zinc/01/47/94/211014794.db2.gz ZRYBAPWEIBMFDY-UHFFFAOYSA-N 0 0 370.449 4.391 50 5 FIBARN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000012629271 210979453 /nfs/dbraw/zinc/97/94/53/210979453.db2.gz WNUYFLFNQAMHOL-HNNXBMFYSA-N 0 0 370.796 4.102 50 5 FIBARN COc1ccc(OC)c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 ZINC000009913929 210857132 /nfs/dbraw/zinc/85/71/32/210857132.db2.gz DPLKPRHQRWOXTQ-UHFFFAOYSA-N 0 0 358.375 4.079 50 5 FIBARN COc1cccc2sc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)nc21 ZINC000009504111 210838851 /nfs/dbraw/zinc/83/88/51/210838851.db2.gz RTTWMYUHSOHDIU-UHFFFAOYSA-N 0 0 363.782 4.119 50 5 FIBARN COc1ccc(Cl)cc1NC(=S)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000005041693 210594486 /nfs/dbraw/zinc/59/44/86/210594486.db2.gz IIHSMMYKDAHETB-UHFFFAOYSA-N 0 0 355.778 4.205 50 5 FIBARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004979858 210587103 /nfs/dbraw/zinc/58/71/03/210587103.db2.gz QRPHZWYOOOYUIL-UHFFFAOYSA-N 0 0 357.753 4.464 50 5 FIBARN O=C(NC(=S)Nc1cccc(Cl)c1Cl)c1ccccc1[N+](=O)[O-] ZINC000004600189 210543483 /nfs/dbraw/zinc/54/34/83/210543483.db2.gz FKCBARLCVFVBRE-UHFFFAOYSA-N 0 0 370.217 4.028 50 5 FIBARN CCN(CCNc1ccc([N+](=O)[O-])cc1Cl)C(=O)c1ccc(C)cc1 ZINC000004170582 210512884 /nfs/dbraw/zinc/51/28/84/210512884.db2.gz AGZOWWUNQWVQDE-UHFFFAOYSA-N 0 0 361.829 4.131 50 5 FIBARN CCCCOc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000004056325 210506229 /nfs/dbraw/zinc/50/62/29/210506229.db2.gz FBYLSFRFSVIOQJ-KPKJPENVSA-N 0 0 370.405 4.434 50 5 FIBARN Cc1ccc2c(c1)c(=O)c1ccccc1n2CC(=O)Nc1cccc(F)c1 ZINC000003904605 210499459 /nfs/dbraw/zinc/49/94/59/210499459.db2.gz PIRJTUYWQRRZLW-UHFFFAOYSA-N 0 0 360.388 4.241 50 5 FIBARN O=[N+]([O-])c1ccc(CSc2nnc(-c3c[nH]c4ccccc43)o2)cc1 ZINC000003261201 210460317 /nfs/dbraw/zinc/46/03/17/210460317.db2.gz GTDPLTROAJXLOB-UHFFFAOYSA-N 0 0 352.375 4.418 50 5 FIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1ccc(C)cc1Cl ZINC000003342737 210468798 /nfs/dbraw/zinc/46/87/98/210468798.db2.gz IKPUMSRFZLUDQZ-NSHDSACASA-N 0 0 363.801 4.004 50 5 FIBARN O=C(Oc1cccc(Cl)c1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000003149168 210452360 /nfs/dbraw/zinc/45/23/60/210452360.db2.gz GSTHFOGWYKTHSB-UHFFFAOYSA-N 0 0 357.105 4.029 50 5 FIBARN O=C(Nc1ccc(Cl)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl ZINC000003149533 210452451 /nfs/dbraw/zinc/45/24/51/210452451.db2.gz HILHFZGSSZEJRG-UHFFFAOYSA-N 0 0 356.121 4.062 50 5 FIBARN CCOc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1OCC ZINC000002845040 210428695 /nfs/dbraw/zinc/42/86/95/210428695.db2.gz DSKXLMVPRAATLN-UHFFFAOYSA-N 0 0 355.350 4.109 50 5 FIBARN O=[N+]([O-])c1ccc(CSc2nnc(C3CC3)n2-c2ccccc2)cc1 ZINC000002622855 210408056 /nfs/dbraw/zinc/40/80/56/210408056.db2.gz LGPYNHFGJHVHAC-UHFFFAOYSA-N 0 0 352.419 4.345 50 5 FIBARN Cn1c2ccccc2c(=O)c2c(=O)n(C3CCCC3)c(-c3ccccc3)nc21 ZINC000002444067 210399866 /nfs/dbraw/zinc/39/98/66/210399866.db2.gz PWTDXMAYBDFAKU-UHFFFAOYSA-N 0 0 371.440 4.031 50 5 FIBARN Cn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1cccc(Cl)c1 ZINC000002328749 210392293 /nfs/dbraw/zinc/39/22/93/210392293.db2.gz JVSJENJLVSZUNI-UHFFFAOYSA-N 0 0 360.826 4.336 50 5 FIBARN Cc1nc2sc3c(c2c2nc(-c4cccc([N+](=O)[O-])c4)nn21)CCCC3 ZINC000002240926 210386414 /nfs/dbraw/zinc/38/64/14/210386414.db2.gz WLWZUMQYHFDVPV-UHFFFAOYSA-N 0 0 365.418 4.101 50 5 FIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccccc1C(F)(F)F ZINC000001753308 210370196 /nfs/dbraw/zinc/37/01/96/210370196.db2.gz HVYXGDUHIHUYAP-UHFFFAOYSA-N 0 0 355.272 4.266 50 5 FIBARN Cc1ccc(NC(=O)OCCOc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000001753793 210369780 /nfs/dbraw/zinc/36/97/80/210369780.db2.gz YWECZLIVGSVDRN-UHFFFAOYSA-N 0 0 350.758 4.184 50 5 FIBARN Cc1nc2cc(NC(=O)c3ccccc3[N+](=O)[O-])ccc2n1-c1ccccc1 ZINC000001510400 210358695 /nfs/dbraw/zinc/35/86/95/210358695.db2.gz SCVVWRGVBUDFEH-UHFFFAOYSA-N 0 0 372.384 4.494 50 5 FIBARN O=C1OC(c2cc(Cl)ccc2Cl)=N/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000001513547 210357607 /nfs/dbraw/zinc/35/76/07/210357607.db2.gz UCUMRRGRIXIZPV-AUWJEWJLSA-N 0 0 363.156 4.246 50 5 FIBARN COc1ccc(N(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](C)C2CC2)cc1 ZINC000001515921 210357706 /nfs/dbraw/zinc/35/77/06/210357706.db2.gz DUWXNGSZHCDREW-CYBMUJFWSA-N 0 0 355.394 4.440 50 5 FIBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1Cl ZINC000001475788 210356554 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O=C(/C=C/c1cc(Br)cs1)Nc1cccc([N+](=O)[O-])c1 ZINC000001205713 210335460 /nfs/dbraw/zinc/33/54/60/210335460.db2.gz BHLZCWQZTNFAIO-SNAWJCMRSA-N 0 0 353.197 4.071 50 5 FIBARN COc1ccc(OC)c(Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 ZINC000001189243 210331944 /nfs/dbraw/zinc/33/19/44/210331944.db2.gz NBGPLERQPYNBHG-UHFFFAOYSA-N 0 0 357.391 4.479 50 5 FIBARN CC[C@H](C)c1ccc(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)cc1 ZINC000001097975 210316850 /nfs/dbraw/zinc/31/68/50/210316850.db2.gz ZEQARQPRCXUWBU-LBPRGKRZSA-N 0 0 356.378 4.147 50 5 FIBARN O=C(Cc1c(F)cccc1Cl)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000001049068 210308749 /nfs/dbraw/zinc/30/87/49/210308749.db2.gz QPZYFMYSLVTUFO-UHFFFAOYSA-N 0 0 365.773 4.178 50 5 FIBARN O=[N+]([O-])c1ccc(Sc2n[nH]c(-c3cc(Cl)cc(Cl)c3)n2)nc1 ZINC000001047244 210308355 /nfs/dbraw/zinc/30/83/55/210308355.db2.gz NLOGDDFOFJBLQF-UHFFFAOYSA-N 0 0 368.205 4.233 50 5 FIBARN O=C(Nc1scc2c1c(=O)oc1ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000001036542 210304550 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FIBARN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)n(-c2ccccc2F)n1 ZINC000058440088 221119198 /nfs/dbraw/zinc/11/91/98/221119198.db2.gz SHTWQPNKVIJVFR-UHFFFAOYSA-N 0 0 374.759 4.134 50 5 FIBARN CCCc1cc([C@@H]2CCCN2C(=O)Nc2cccc([N+](=O)[O-])c2C)no1 ZINC000064984864 221161507 /nfs/dbraw/zinc/16/15/07/221161507.db2.gz DRZKICFYDQMVBO-KRWDZBQOSA-N 0 0 358.398 4.213 50 5 FIBARN Cc1cccc([C@H]2CCCCCN2S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000064984000 221161980 /nfs/dbraw/zinc/16/19/80/221161980.db2.gz DIGZGYRPWPKEEW-QGZVFWFLSA-N 0 0 374.462 4.209 50 5 FIBARN O=[N+]([O-])c1cccnc1NCCc1csc(-c2ccccc2Cl)n1 ZINC000095442243 221902785 /nfs/dbraw/zinc/90/27/85/221902785.db2.gz JQBBKZHGQYOIKL-UHFFFAOYSA-N 0 0 360.826 4.421 50 5 FIBARN Cc1c2oc3c(nc4c(cnn4C(C)C)c3-c3ccc[nH]c3=O)c2ccc1O ZINC000096114718 222031143 /nfs/dbraw/zinc/03/11/43/222031143.db2.gz SSPFEXILPJXPKF-UHFFFAOYSA-N 0 0 374.400 4.281 50 5 biogenic FIBARN COc1ccc(-c2nccc3c4cccc([N+](=O)[O-])c4[nH]c32)cc1[N+](=O)[O-] ZINC000096319456 222114960 /nfs/dbraw/zinc/11/49/60/222114960.db2.gz WVLWHZHXOVJMMV-UHFFFAOYSA-N 0 0 364.317 4.208 50 5 FIBARN O=C(OCc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1SCCc2ccccc21 ZINC000097050262 222156110 /nfs/dbraw/zinc/15/61/10/222156110.db2.gz VTCGFRPHGMIIJP-MRXNPFEDSA-N 0 0 363.822 4.322 50 5 FIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)C1[C@@H]2CC[C@@H]3[C@@H](CC[C@@H]12)C3(Cl)Cl ZINC000102717902 222305270 /nfs/dbraw/zinc/30/52/70/222305270.db2.gz XPDKBYXIHXVCHA-AAVRWANBSA-N 0 0 369.248 4.389 50 5 FIBARN O=[N+]([O-])c1cccc(C2=Nc3ncnn3[C@@H](c3c(F)cccc3Cl)C2)c1 ZINC000102799536 222308806 /nfs/dbraw/zinc/30/88/06/222308806.db2.gz WWMVFDUIGQLARG-OAHLLOKOSA-N 0 0 371.759 4.035 50 5 FIBARN O=[N+]([O-])c1ccc(OC(C(F)(F)F)C(F)(F)F)c(Br)c1 ZINC000169725389 222568691 /nfs/dbraw/zinc/56/86/91/222568691.db2.gz AXUOEKKIHWSYPO-UHFFFAOYSA-N 0 0 368.027 4.229 50 5 FIBARN Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)cc1 ZINC000004258030 263332017 /nfs/dbraw/zinc/33/20/17/263332017.db2.gz IBSINSIFERBRCO-UHFFFAOYSA-N 0 0 360.369 4.387 50 5 FIBARN CC(C)c1noc(-c2ccc(NCCc3ccccc3)c([N+](=O)[O-])c2)n1 ZINC000020898137 519898735 /nfs/dbraw/zinc/89/87/35/519898735.db2.gz ZQHUGZJWAKKWBB-UHFFFAOYSA-N 0 0 352.394 4.423 50 5 FIBARN O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1F)c1cccc2ccccc21 ZINC000005777433 568494326 /nfs/dbraw/zinc/49/43/26/568494326.db2.gz LXBFNPVOQDJLKA-UHFFFAOYSA-N 0 0 369.377 4.014 50 5 FIBARN CC[C@H]1CCCCN1C(=O)Cn1c2ccccc2c(=O)c2cc(C)ccc21 ZINC000003904615 570571367 /nfs/dbraw/zinc/57/13/67/570571367.db2.gz PMSUWBUIEXABDU-KRWDZBQOSA-N 0 0 362.473 4.254 50 5 FIBARN CCc1cccc(C)c1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000004983353 570571528 /nfs/dbraw/zinc/57/15/28/570571528.db2.gz FMWULQLBNNASQJ-UHFFFAOYSA-N 0 0 353.422 4.318 50 5 FIBARN O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1c(Cl)cccc1Cl ZINC000004997955 570573759 /nfs/dbraw/zinc/57/37/59/570573759.db2.gz KDNXBODEOZGBMS-UHFFFAOYSA-N 0 0 358.206 4.027 50 5 FIBARN CN(c1ccccc1)c1nc(N)c([N+](=O)[O-])c(Nc2ccc(Cl)cc2)n1 ZINC000005055156 570579790 /nfs/dbraw/zinc/57/97/90/570579790.db2.gz VSFNYHDPLWQRBZ-UHFFFAOYSA-N 0 0 370.800 4.132 50 5 FIBARN Cc1c(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2)cccc1[N+](=O)[O-] ZINC000005068377 570580763 /nfs/dbraw/zinc/58/07/63/570580763.db2.gz YPQOIXFWCVJBIU-UHFFFAOYSA-N 0 0 374.356 4.359 50 5 FIBARN CC(C)C(=O)Nc1cccc(CNc2ccc([N+](=O)[O-])c3cnccc23)c1 ZINC000024211509 570624663 /nfs/dbraw/zinc/62/46/63/570624663.db2.gz NCHVJECLEVIXOJ-UHFFFAOYSA-N 0 0 364.405 4.350 50 5 FIBARN Cc1ccc(C2=N/C(=C\c3ccc4ccccc4c3)C(=O)O2)cc1[N+](=O)[O-] ZINC000005172929 570628040 /nfs/dbraw/zinc/62/80/40/570628040.db2.gz LVUMAYNKRNAMGR-WQRHYEAKSA-N 0 0 358.353 4.401 50 5 FIBARN O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)c2c(n[nH]c2-c2ccc(Cl)cc2)N1 ZINC000005886401 570637921 /nfs/dbraw/zinc/63/79/21/570637921.db2.gz HQWOIHZDOTUWON-AWEZNQCLSA-N 0 0 368.780 4.112 50 5 FIBARN O=[N+]([O-])c1ccc2cnn(Cc3c(-c4ccccc4)nc4ccccn43)c2c1 ZINC000005267771 570641416 /nfs/dbraw/zinc/64/14/16/570641416.db2.gz ZEUBOWIOSAAXBU-UHFFFAOYSA-N 0 0 369.384 4.308 50 5 FIBARN CCCCn1c(=O)c2c(=O)c3ccccc3n(C)c2nc1-c1ccc(C)cc1 ZINC000005352021 570648764 /nfs/dbraw/zinc/64/87/64/570648764.db2.gz YFKOQNWRHQWELS-UHFFFAOYSA-N 0 0 373.456 4.024 50 5 FIBARN CN(Cc1nc2ccccc2s1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000005406301 570653365 /nfs/dbraw/zinc/65/33/65/570653365.db2.gz SCIXJAKCWDSJAH-UHFFFAOYSA-N 0 0 361.810 4.130 50 5 FIBARN CSc1ccc(C(=O)OCC(=O)c2ccc(C(C)C)cc2)cc1[N+](=O)[O-] ZINC000005426190 570654619 /nfs/dbraw/zinc/65/46/19/570654619.db2.gz FQXGALOPCSWTTK-UHFFFAOYSA-N 0 0 373.430 4.480 50 5 FIBARN COc1cccc(Nc2nnc(SCc3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000003439564 570661667 /nfs/dbraw/zinc/66/16/67/570661667.db2.gz NBKULRYFFFUHBF-UHFFFAOYSA-N 0 0 374.447 4.491 50 5 FIBARN CCc1cc2c(C)cc(=O)oc2cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000005554541 570668996 /nfs/dbraw/zinc/66/89/96/570668996.db2.gz UURFOCPQJDBFSW-UHFFFAOYSA-N 0 0 370.317 4.273 50 5 FIBARN COc1cccc(Nc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000004409765 570770455 /nfs/dbraw/zinc/77/04/55/570770455.db2.gz OEQITBYCTJZKSJ-UHFFFAOYSA-N 0 0 357.244 4.274 50 5 FIBARN Cc1ccc(SCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 ZINC000004496436 570802758 /nfs/dbraw/zinc/80/27/58/570802758.db2.gz XZGVPQCJIYGQRL-UHFFFAOYSA-N 0 0 359.432 4.244 50 5 FIBARN O=C(c1ccc([N+](=O)[O-])o1)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000024383570 570804054 /nfs/dbraw/zinc/80/40/54/570804054.db2.gz XOIVZIJEQVASTI-GFCCVEGCSA-N 0 0 357.391 4.165 50 5 FIBARN Cc1nc(NC(=O)Cc2ccccc2[N+](=O)[O-])sc1-c1ccccc1 ZINC000032817254 570813119 /nfs/dbraw/zinc/81/31/19/570813119.db2.gz HUMUYQYEEXNUAT-UHFFFAOYSA-N 0 0 353.403 4.208 50 5 FIBARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000024977377 570987310 /nfs/dbraw/zinc/98/73/10/570987310.db2.gz JYNHZFVNNOZKTO-UHFFFAOYSA-N 0 0 370.796 4.303 50 5 FIBARN C[C@@H](Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1[N+](=O)[O-])c1ccccn1 ZINC000052937899 571048850 /nfs/dbraw/zinc/04/88/50/571048850.db2.gz XHFIBDGXWNXPJZ-HUUCEWRRSA-N 0 0 368.437 4.178 50 5 FIBARN Cc1cccc(Cn2nccc2NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000040072353 571072512 /nfs/dbraw/zinc/07/25/12/571072512.db2.gz FATBRZDHYZGJRX-UHFFFAOYSA-N 0 0 370.796 4.054 50 5 FIBARN C[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)s1 ZINC000040074630 571073229 /nfs/dbraw/zinc/07/32/29/571073229.db2.gz ARRFUOYFMPYLEX-SECBINFHSA-N 0 0 356.856 4.279 50 5 FIBARN CC(C)[C@@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cccs1 ZINC000025928118 571073862 /nfs/dbraw/zinc/07/38/62/571073862.db2.gz AWOLPUUGUZIDOM-MRXNPFEDSA-N 0 0 358.423 4.193 50 5 FIBARN Cc1cc(C)cc(-c2nnc(SCCOc3cccc([N+](=O)[O-])c3)o2)c1 ZINC000040127674 571081312 /nfs/dbraw/zinc/08/13/12/571081312.db2.gz LZOCTJSVKCCCCP-UHFFFAOYSA-N 0 0 371.418 4.433 50 5 FIBARN O=[N+]([O-])c1ccc(NC(=S)N2CCC[C@@H]2Cc2cccc(F)c2)cc1 ZINC000084372400 571084025 /nfs/dbraw/zinc/08/40/25/571084025.db2.gz SYAYXLAIEHWZOK-QGZVFWFLSA-N 0 0 359.426 4.138 50 5 FIBARN C[C@@H](c1ccc(Cl)cc1)N(CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000040155728 571087290 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C[C@@H]1CN(c2ccc(C(=O)c3ccc(Cl)cc3)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000016285844 571158944 /nfs/dbraw/zinc/15/89/44/571158944.db2.gz QQDRSIQCAIGZCS-BETUJISGSA-N 0 0 374.824 4.093 50 5 FIBARN CCOCc1c2c(ccc1O)c([N+](=O)[O-])c(C)n2-c1ccc(OC)cc1 ZINC000075271324 571158962 /nfs/dbraw/zinc/15/89/62/571158962.db2.gz CLHLLTZHZLSNGN-UHFFFAOYSA-N 0 0 356.378 4.098 50 5 FIBARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000001218484 571166422 /nfs/dbraw/zinc/16/64/22/571166422.db2.gz LNCHUEYXELOLQF-UHFFFAOYSA-N 0 0 360.675 4.399 50 5 FIBARN COc1cccc2c1O[C@]1(C=C2)N(C)c2ccc([N+](=O)[O-])cc2C1(C)C ZINC000003897011 571171493 /nfs/dbraw/zinc/17/14/93/571171493.db2.gz QKEDDTVEWJRBJC-FQEVSTJZSA-N 0 0 352.390 4.133 50 5 FIBARN Nc1ncnc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)c1[N+](=O)[O-] ZINC000003912568 571172239 /nfs/dbraw/zinc/17/22/39/571172239.db2.gz CRRKBVLLYMKBGS-UHFFFAOYSA-N 0 0 357.757 4.156 50 5 FIBARN O=C(c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)N(C1CC1)C1CCCC1 ZINC000012527588 571174582 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Cc1ccc2cccc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)c2n1 ZINC000004798046 571236764 /nfs/dbraw/zinc/23/67/64/571236764.db2.gz RBJHZLUHZGUJSY-UHFFFAOYSA-N 0 0 353.403 4.182 50 5 FIBARN O=[N+]([O-])c1ccc2c(c1)oc1ccc(S(=O)(=O)NC3CCCCC3)cc12 ZINC000004808569 571237109 /nfs/dbraw/zinc/23/71/09/571237109.db2.gz KULBTFNHXXGFHJ-UHFFFAOYSA-N 0 0 374.418 4.105 50 5 FIBARN CCSc1ncc(Cl)c(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000004811054 571237480 /nfs/dbraw/zinc/23/74/80/571237480.db2.gz MJYUVWXTPZBNMR-UHFFFAOYSA-N 0 0 373.221 4.056 50 5 FIBARN O=[N+]([O-])c1c(Br)cccc1OC(C(F)(F)F)C(F)(F)F ZINC000169725370 571249407 /nfs/dbraw/zinc/24/94/07/571249407.db2.gz JUMUVFQQOHWBPX-UHFFFAOYSA-N 0 0 368.027 4.229 50 5 FIBARN Cc1nsc2ncc(C(=O)O[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)cc12 ZINC000170657307 571284055 /nfs/dbraw/zinc/28/40/55/571284055.db2.gz MZWXJIDGGSCFAL-LLVKDONJSA-N 0 0 357.391 4.134 50 5 FIBARN C[C@@H]1CCCCN1c1ccc(-c2nc(-c3ccncc3)no2)cc1[N+](=O)[O-] ZINC000020898032 571331913 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FIBARN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)s1 ZINC000003280746 571346573 /nfs/dbraw/zinc/34/65/73/571346573.db2.gz LVSSIKWIEQYAMJ-UHFFFAOYSA-N 0 0 360.174 4.003 50 5 FIBARN O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1cccnc1Cl ZINC000003345937 571347904 /nfs/dbraw/zinc/34/79/04/571347904.db2.gz BENPAPPRSSRUEB-UHFFFAOYSA-N 0 0 365.772 4.352 50 5 FIBARN Cc1nc2ccc3nc(NC(=O)c4ccccc4[N+](=O)[O-])sc3c2s1 ZINC000004031615 571354286 /nfs/dbraw/zinc/35/42/86/571354286.db2.gz WOZPWDUZAGGFTF-UHFFFAOYSA-N 0 0 370.415 4.375 50 5 FIBARN O=C(COC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])cc1)c1ccccc1 ZINC000004066092 571354661 /nfs/dbraw/zinc/35/46/61/571354661.db2.gz VIEXKDDMOWQVAU-UHFFFAOYSA-N 0 0 361.353 4.302 50 5 FIBARN COc1ccc(CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC ZINC000004299782 571357695 /nfs/dbraw/zinc/35/76/95/571357695.db2.gz CAJSGXPBTWWSPF-UHFFFAOYSA-N 0 0 370.327 4.285 50 5 FIBARN COc1ccc(/C=C(\Cl)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000006078930 1115568850 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O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1[C@@H]2CC[C@@H]3[C@@H](CC[C@@H]21)C3(Cl)Cl ZINC000239433375 210208420 /nfs/dbraw/zinc/20/84/20/210208420.db2.gz XPDKBYXIHXVCHA-KHMAMNHCSA-N 0 0 369.248 4.389 50 5 FIBARN Cc1c(NC(=O)c2ccccc2[N+](=O)[O-])cccc1-c1nc2ncccc2o1 ZINC000000841515 219329854 /nfs/dbraw/zinc/32/98/54/219329854.db2.gz BXQGKVSKKPMSSY-UHFFFAOYSA-N 0 0 374.356 4.359 50 5 FIBARN O=C(c1cc2ccccc2c2cccnc12)N1CC[C@@H](Oc2cccnc2)C1 ZINC000225476973 222843780 /nfs/dbraw/zinc/84/37/80/222843780.db2.gz UESVNSXXSQBSEQ-GOSISDBHSA-N 0 0 369.424 4.077 50 5 FIBARN O=C1OC(/C=C/c2ccc([N+](=O)[O-])cc2)=N/C1=C\c1c(F)cccc1Cl ZINC000004427367 219574898 /nfs/dbraw/zinc/57/48/98/219574898.db2.gz FQPQBVQESCCBNQ-RKQKHZQPSA-N 0 0 372.739 4.397 50 5 FIBARN O=C(NCc1ccc([N+](=O)[O-])cc1)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000064026874 212037916 /nfs/dbraw/zinc/03/79/16/212037916.db2.gz VFOCHYFRTCTUKM-UHFFFAOYSA-N 0 0 361.810 4.235 50 5 FIBARN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCCCC[C@@H]1c1ccncc1 ZINC000058261592 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O=C(Nc1ccc(Br)cc1F)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000004599202 571098605 /nfs/dbraw/zinc/09/86/05/571098605.db2.gz WNASJXFDNQWOEG-UHFFFAOYSA-N 0 0 373.565 4.402 50 5 FIBARN O=C(NCc1ccc(-c2nc3ccccc3o2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000009226461 571101442 /nfs/dbraw/zinc/10/14/42/571101442.db2.gz IUKOPGWICWRUDX-UHFFFAOYSA-N 0 0 373.368 4.333 50 5 FIBARN CC(C)Cn1c(=O)c2ccccc2nc1SCc1cccc([N+](=O)[O-])c1 ZINC000006049634 571112834 /nfs/dbraw/zinc/11/28/34/571112834.db2.gz WEHPNBRMNUBUOV-UHFFFAOYSA-N 0 0 369.446 4.253 50 5 FIBARN C[C@@H]1CCCN(c2ccc(-c3nc(-c4ccco4)no3)cc2[N+](=O)[O-])C1 ZINC000015833899 571132825 /nfs/dbraw/zinc/13/28/25/571132825.db2.gz TWRJANHGUYARNA-GFCCVEGCSA-N 0 0 354.366 4.141 50 5 FIBARN O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C\c1ccc2cccc3c2c1CC3 ZINC000004644296 571145832 /nfs/dbraw/zinc/14/58/32/571145832.db2.gz SYDDQRHFJJLFPU-UNOMPAQXSA-N 0 0 370.364 4.191 50 5 FIBARN Cc1cc(F)cc(C(=O)Nc2ccc(N3CCCCC3)cc2)c1[N+](=O)[O-] ZINC000075108436 571155812 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O=C(CCC(=O)c1ccc2c(c1)CCCC2)OCc1ccccc1[N+](=O)[O-] ZINC000022524634 211355204 /nfs/dbraw/zinc/35/52/04/211355204.db2.gz RHHUCNXQPKZVBM-UHFFFAOYSA-N 0 0 367.401 4.180 50 5 FIBARN O=[N+]([O-])c1ccc([C@@H]2N(Cc3ccccc3)CC[C@@H]3CCCCN23)cc1 ZINC000019324256 211214226 /nfs/dbraw/zinc/21/42/26/211214226.db2.gz CPSBVMNHKZOJSO-PZJWPPBQSA-N 0 0 351.450 4.354 50 5 FIBARN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)c(Cl)c1 ZINC000014898359 211104847 /nfs/dbraw/zinc/10/48/47/211104847.db2.gz ACHDAMNDWZWAHG-UHFFFAOYSA-N 0 0 354.193 4.342 50 5 FIBARN Cc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)c1[N+](=O)[O-] ZINC000014604178 211095910 /nfs/dbraw/zinc/09/59/10/211095910.db2.gz KDTPUMOHJFAJPQ-UHFFFAOYSA-N 0 0 367.327 4.240 50 5 FIBARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000013135481 211025956 /nfs/dbraw/zinc/02/59/56/211025956.db2.gz NWUMMLVACOUBQN-UHFFFAOYSA-N 0 0 365.311 4.440 50 5 FIBARN COc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1Cc1ccccc1 ZINC000012998352 211017893 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C[C@H]1CCc2c(sc3ncnc(OCc4cccc([N+](=O)[O-])c4)c23)C1 ZINC000006559311 210678907 /nfs/dbraw/zinc/67/89/07/210678907.db2.gz JULKVKMQAXGODC-NSHDSACASA-N 0 0 355.419 4.303 50 5 FIBARN CCCCCn1cc(OC(C)=O)c2c3nc4ccccc4n3c(C)nc21 ZINC000005477649 210622045 /nfs/dbraw/zinc/62/20/45/210622045.db2.gz ZBHDMELPXOWXEQ-UHFFFAOYSA-N 0 0 350.422 4.261 50 5 FIBARN CC(=O)Nc1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 ZINC000005283591 210612622 /nfs/dbraw/zinc/61/26/22/210612622.db2.gz JMKPEMZGYMSEMK-UHFFFAOYSA-N 0 0 353.385 4.285 50 5 FIBARN O=[N+]([O-])c1c2nonc2c(NC2CCCCC2)cc1NCc1ccccc1 ZINC000004844315 210570154 /nfs/dbraw/zinc/57/01/54/210570154.db2.gz NZUBIEFKKSPSCQ-UHFFFAOYSA-N 0 0 367.409 4.488 50 5 FIBARN CCCCOc1ccc(OC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000004797192 210564535 /nfs/dbraw/zinc/56/45/35/210564535.db2.gz IYFANCGKGTYRLS-UHFFFAOYSA-N 0 0 360.366 4.393 50 5 FIBARN Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004696146 210554222 /nfs/dbraw/zinc/55/42/22/210554222.db2.gz 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O=C(Nc1cccc(Cl)c1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000003195784 210453487 /nfs/dbraw/zinc/45/34/87/210453487.db2.gz AHTKSNIRZBHROT-UHFFFAOYSA-N 0 0 356.121 4.062 50 5 FIBARN CCn1c(Sc2ccc([N+](=O)[O-])cn2)nnc1-c1cccc(Cl)c1 ZINC000002858415 210431321 /nfs/dbraw/zinc/43/13/21/210431321.db2.gz UHILGACBFBOHCS-UHFFFAOYSA-N 0 0 361.814 4.073 50 5 FIBARN CN1c2ccccc2C(C)(C)[C@]12C=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O2 ZINC000002272779 210388706 /nfs/dbraw/zinc/38/87/06/210388706.db2.gz WOHKZAFFWQFDQP-LJQANCHMSA-N 0 0 367.361 4.033 50 5 FIBARN CCCCc1ccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000002064355 210378914 /nfs/dbraw/zinc/37/89/14/210378914.db2.gz IABCDAVDBRITKH-UHFFFAOYSA-N 0 0 357.435 4.064 50 5 FIBARN O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccccc1[N+](=O)[O-] ZINC000001220106 210336482 /nfs/dbraw/zinc/33/64/82/210336482.db2.gz WHXSGJDBKKDIQY-UHFFFAOYSA-N 0 0 357.366 4.034 50 5 FIBARN O=C(COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccccc1Cl ZINC000001155274 210326473 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C[C@H](CNC(=O)c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000001120427 210319449 /nfs/dbraw/zinc/31/94/49/210319449.db2.gz CNGAHDJJUZDLQB-SNVBAGLBSA-N 0 0 353.205 4.435 50 5 FIBARN CC(C)n1c2ccc(Cl)cc2nc1Sc1c([N+](=O)[O-])ncn1C ZINC000001030584 210303794 /nfs/dbraw/zinc/30/37/94/210303794.db2.gz QHPKUTHCIUCMQW-UHFFFAOYSA-N 0 0 351.819 4.064 50 5 FIBARN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC(Cc2ccccc2)CC1 ZINC000000994469 210300860 /nfs/dbraw/zinc/30/08/60/210300860.db2.gz ODEGESJMQSFFDF-UHFFFAOYSA-N 0 0 358.825 4.343 50 5 FIBARN C[C@H](NC(=O)c1ccc(COc2ccccc2[N+](=O)[O-])o1)c1ccccc1 ZINC000000999933 210300655 /nfs/dbraw/zinc/30/06/55/210300655.db2.gz DJMHZERGVMIASV-AWEZNQCLSA-N 0 0 366.373 4.258 50 5 FIBARN Cc1oc(-c2ccccc2)nc1CC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000024503026 220450638 /nfs/dbraw/zinc/45/06/38/220450638.db2.gz PUFPTTCWYWANQD-UHFFFAOYSA-N 0 0 351.362 4.048 50 5 FIBARN CC(C)Cc1ccc([C@H](C)NC(=O)CSc2ncccc2[N+](=O)[O-])cc1 ZINC000048311851 221006926 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O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000002979867 132384532 /nfs/dbraw/zinc/38/45/32/132384532.db2.gz VKRVSHOUMMBCLQ-UHFFFAOYSA-N 0 0 359.813 4.491 50 5 FIBARN C[C@H]1Cc2ccccc2N1C(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000003893051 132385849 /nfs/dbraw/zinc/38/58/49/132385849.db2.gz UMUMUFGTAGWRHA-HNNXBMFYSA-N 0 0 365.433 4.177 50 5 FIBARN Cc1ccc(C)c(N2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)CC2)c1 ZINC000055292253 136126388 /nfs/dbraw/zinc/12/63/88/136126388.db2.gz NJBMAPJTOIMHTP-UHFFFAOYSA-N 0 0 359.857 4.187 50 5 FIBARN O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000055543410 136127040 /nfs/dbraw/zinc/12/70/40/136127040.db2.gz XBCYIWWEBDJQDR-UHFFFAOYSA-N 0 0 366.248 4.224 50 5 FIBARN O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])c1 ZINC000104206375 222352183 /nfs/dbraw/zinc/35/21/83/222352183.db2.gz LIGZGKCSTQNUKY-UHFFFAOYSA-N 0 0 373.108 4.462 50 5 FIBARN O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2cccc3ccccc32)c([N+](=O)[O-])c1 ZINC000104217605 222352432 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Nc1nc(Nc2cccc(Cl)c2)nc(Nc2ccccc2F)c1[N+](=O)[O-] ZINC000005066534 570581100 /nfs/dbraw/zinc/58/11/00/570581100.db2.gz FYXXOPWEJYFVDO-UHFFFAOYSA-N 0 0 374.763 4.247 50 5 FIBARN COc1ccc(Cl)cc1N1C(=O)CS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000005194142 570631487 /nfs/dbraw/zinc/63/14/87/570631487.db2.gz UDNGMFLMTLZINR-INIZCTEOSA-N 0 0 364.810 4.035 50 5 FIBARN Cc1cccc(Nc2nc(Nc3ccc(Cl)cc3)nc(N)c2[N+](=O)[O-])c1 ZINC000005249608 570639055 /nfs/dbraw/zinc/63/90/55/570639055.db2.gz TZJPEQLDVNRQRW-UHFFFAOYSA-N 0 0 370.800 4.416 50 5 FIBARN Cc1ccc(Nc2nc(N)c([N+](=O)[O-])c(Nc3ccccc3F)n2)cc1C ZINC000005249668 570639087 /nfs/dbraw/zinc/63/90/87/570639087.db2.gz KTOREZVZUWOTGU-UHFFFAOYSA-N 0 0 368.372 4.210 50 5 FIBARN Cc1cccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1[N+](=O)[O-] ZINC000005559054 570672782 /nfs/dbraw/zinc/67/27/82/570672782.db2.gz NHVCGXAQUBPWQO-UHFFFAOYSA-N 0 0 357.366 4.418 50 5 FIBARN CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000005606949 570680694 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O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(C(=O)c2ccccc2)cc1 ZINC000015592565 211132389 /nfs/dbraw/zinc/13/23/89/211132389.db2.gz NGOMRRQUFUFXSA-UHFFFAOYSA-N 0 0 364.332 4.217 50 5 FIBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H](C)c1cc2ccccc2o1 ZINC000013009512 211020079 /nfs/dbraw/zinc/02/00/79/211020079.db2.gz RNYAFPRREQSMNJ-ZDUSSCGKSA-N 0 0 374.418 4.031 50 5 FIBARN Cc1nc(-c2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3)s2)cs1 ZINC000012982254 211015855 /nfs/dbraw/zinc/01/58/55/211015855.db2.gz UVZRKXPWXDJTHM-UHFFFAOYSA-N 0 0 359.432 4.018 50 5 FIBARN CNc1ccc(C(=O)Nc2ccc(-c3nccs3)cc2)cc1[N+](=O)[O-] ZINC000012608460 210976281 /nfs/dbraw/zinc/97/62/81/210976281.db2.gz KTOGIIXWSRLLAR-UHFFFAOYSA-N 0 0 354.391 4.012 50 5 FIBARN COc1ccccc1-c1nc(CNc2ccc(F)c([N+](=O)[O-])c2)cs1 ZINC000009586083 210843523 /nfs/dbraw/zinc/84/35/23/210843523.db2.gz LYCCNEMZPUFRFX-UHFFFAOYSA-N 0 0 359.382 4.478 50 5 FIBARN CC[C@@H](Oc1ccccc1OC)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000008480584 210789124 /nfs/dbraw/zinc/78/91/24/210789124.db2.gz AGXRBPFEFZQRKF-CQSZACIVSA-N 0 0 364.785 4.053 50 5 FIBARN O=C(CNc1ccc(F)c([N+](=O)[O-])c1)Nc1ccc(Cl)cc1Cl ZINC000006785693 210700839 /nfs/dbraw/zinc/70/08/39/210700839.db2.gz PATPUEASTMYUSG-UHFFFAOYSA-N 0 0 358.156 4.091 50 5 FIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000005062870 210597119 /nfs/dbraw/zinc/59/71/19/210597119.db2.gz MWUPYAHBLGSNQW-UHFFFAOYSA-N 0 0 355.272 4.266 50 5 FIBARN CCCCN(C)C(=O)c1sc2nc(-c3cccc([N+](=O)[O-])c3)cn2c1C ZINC000004931035 210580783 /nfs/dbraw/zinc/58/07/83/210580783.db2.gz JOVFKQDYMXFSMG-UHFFFAOYSA-N 0 0 372.450 4.152 50 5 FIBARN Cc1nn(CCCC(=O)Nc2c(Cl)cccc2Cl)c(C)c1[N+](=O)[O-] ZINC000004873876 210574021 /nfs/dbraw/zinc/57/40/21/210574021.db2.gz GVKJXHGLRRJDOM-UHFFFAOYSA-N 0 0 371.224 4.134 50 5 FIBARN O=c1oc(/C=C/c2ccc([N+](=O)[O-])cc2)nc2ccc(Br)cc12 ZINC000004499615 210533753 /nfs/dbraw/zinc/53/37/53/210533753.db2.gz SOOHBKHRKRGHRT-FPYGCLRLSA-N 0 0 373.162 4.029 50 5 FIBARN C[C@@H](Oc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccc(F)cc1Cl ZINC000003441578 210476867 /nfs/dbraw/zinc/47/68/67/210476867.db2.gz VDCSQRMZQNPUKK-MRVPVSSYSA-N 0 0 373.167 4.447 50 5 FIBARN CC(C)(C)[C@H]1CCc2nc(NC(=O)c3cccc([N+](=O)[O-])c3)sc2C1 ZINC000003207606 210454066 /nfs/dbraw/zinc/45/40/66/210454066.db2.gz ANMXGMLJYWGNHL-LBPRGKRZSA-N 0 0 359.451 4.455 50 5 FIBARN O=C(COC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 ZINC000002749826 210418999 /nfs/dbraw/zinc/41/89/99/210418999.db2.gz IWROMRMGDLCCOM-UHFFFAOYSA-N 0 0 361.353 4.302 50 5 FIBARN Cc1cccc(Cc2cnc(NC(=O)c3ccccc3[N+](=O)[O-])s2)c1 ZINC000002669177 210412397 /nfs/dbraw/zinc/41/23/97/210412397.db2.gz AJVKIFSBGYYECM-UHFFFAOYSA-N 0 0 353.403 4.203 50 5 FIBARN O=c1c2ccccc2oc2nc(-c3ccccc3)n(-c3ccccc3)c(=O)c21 ZINC000002342655 210392210 /nfs/dbraw/zinc/39/22/10/210392210.db2.gz MENPJZUKMVJNSB-UHFFFAOYSA-N 0 0 366.376 4.159 50 5 FIBARN O=C1OC(c2ccccc2)=N/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000002267833 210389196 /nfs/dbraw/zinc/38/91/96/210389196.db2.gz LWCLMKHZHMVEDX-SFQUDFHCSA-N 0 0 360.325 4.199 50 5 FIBARN CC[C@H](C)n1cnc2c(c3nc4ccccc4nc3n2-c2ccccc2)c1=O ZINC000002242518 210386210 /nfs/dbraw/zinc/38/62/10/210386210.db2.gz ZFRWBLUDDLRGGH-AWEZNQCLSA-N 0 0 369.428 4.255 50 5 FIBARN Cc1ccc(CN2C(=O)S/C(=C\c3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000002199110 210384065 /nfs/dbraw/zinc/38/40/65/210384065.db2.gz LYZWCPYTGNIOFQ-YBEGLDIGSA-N 0 0 354.387 4.140 50 5 FIBARN O=C(Oc1cccc2cccnc21)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000002197460 210382755 /nfs/dbraw/zinc/38/27/55/210382755.db2.gz UQEJKDVAMAOGOD-UHFFFAOYSA-N 0 0 373.162 4.125 50 5 FIBARN Cc1cc(=O)oc2cc(OCCSc3ccc([N+](=O)[O-])cc3)ccc12 ZINC000001852239 210372813 /nfs/dbraw/zinc/37/28/13/210372813.db2.gz HWJZBFLJPXWNTC-UHFFFAOYSA-N 0 0 357.387 4.181 50 5 FIBARN COc1cc(/C=C/[N+](=O)[O-])ccc1OC(=O)CCCOc1ccc(C)cc1 ZINC000001904056 210374507 /nfs/dbraw/zinc/37/45/07/210374507.db2.gz UGKIIKKAVPAFOS-VAWYXSNFSA-N 0 0 371.389 4.016 50 5 FIBARN CSc1ccc(/C=C2\N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)cc1 ZINC000001515611 210357928 /nfs/dbraw/zinc/35/79/28/210357928.db2.gz CDKBXUGCODYCHO-NVNXTCNLSA-N 0 0 374.805 4.315 50 5 FIBARN O=[N+]([O-])c1ccc(CSc2ncnc3c2cnn3-c2ccccc2)cc1 ZINC000001314298 210340563 /nfs/dbraw/zinc/34/05/63/210340563.db2.gz MGGKLYNNVBPVQY-UHFFFAOYSA-N 0 0 363.402 4.016 50 5 FIBARN O=C(Nc1ccc(Br)c2cccnc12)c1ccccc1[N+](=O)[O-] ZINC000001164435 210327076 /nfs/dbraw/zinc/32/70/76/210327076.db2.gz LOMHARLWVXZICE-UHFFFAOYSA-N 0 0 372.178 4.158 50 5 FIBARN Cc1cc(Br)ccc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000001141255 210324248 /nfs/dbraw/zinc/32/42/48/210324248.db2.gz KYQHLZFZHBCKLM-LLVKDONJSA-N 0 0 363.211 4.408 50 5 FIBARN COc1cc(OC)c(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000001140789 210324223 /nfs/dbraw/zinc/32/42/23/210324223.db2.gz ZQYIOJGXLUBGQC-SNVBAGLBSA-N 0 0 364.785 4.008 50 5 FIBARN O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c(Cl)c1 ZINC000001138144 210323694 /nfs/dbraw/zinc/32/36/94/210323694.db2.gz VQLASQJFHGRQOH-UHFFFAOYSA-N 0 0 354.790 4.259 50 5 FIBARN CC(=O)c1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000001211682 210335229 /nfs/dbraw/zinc/33/52/29/210335229.db2.gz JOLKPJKUCRMKMT-UHFFFAOYSA-N 0 0 350.330 4.310 50 5 FIBARN CCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000001122768 210320513 /nfs/dbraw/zinc/32/05/13/210320513.db2.gz QWZHTUZEPFQGKC-QGZVFWFLSA-N 0 0 357.797 4.336 50 5 FIBARN O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)-c1ccccc1C2=O ZINC000001099245 210316297 /nfs/dbraw/zinc/31/62/97/210316297.db2.gz JZTYKRDPGSLWRV-UHFFFAOYSA-N 0 0 359.337 4.163 50 5 FIBARN O=[N+]([O-])/C=C/c1ccc(OCc2cccc(F)c2)c(Br)c1 ZINC000001073228 210313802 /nfs/dbraw/zinc/31/38/02/210313802.db2.gz IQUZWEOYQZOZOD-VOTSOKGWSA-N 0 0 352.159 4.415 50 5 FIBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(-c2ncon2)cc1 ZINC000001036320 210304695 /nfs/dbraw/zinc/30/46/95/210304695.db2.gz WHLOZFQBYUOCMB-UHFFFAOYSA-N 0 0 351.240 4.456 50 5 FIBARN CCOC(=O)c1c(NCc2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 ZINC000000978410 210297580 /nfs/dbraw/zinc/29/75/80/210297580.db2.gz CSNLFAHYFMULNU-UHFFFAOYSA-N 0 0 360.435 4.324 50 5 FIBARN O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 ZINC000000851577 210280152 /nfs/dbraw/zinc/28/01/52/210280152.db2.gz LNFUKDKMYZJEIT-UHFFFAOYSA-N 0 0 370.386 4.188 50 5 FIBARN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000000828985 210276891 /nfs/dbraw/zinc/27/68/91/210276891.db2.gz UMWNCZUJTHKQRP-UHFFFAOYSA-N 0 0 358.357 4.390 50 5 FIBARN C[C@H](Oc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000022744674 220396019 /nfs/dbraw/zinc/39/60/19/220396019.db2.gz ABKXKGLPKSPUJA-JTQLQIEISA-N 0 0 354.284 4.020 50 5 FIBARN Cc1cc(C(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)ccc1[N+](=O)[O-] ZINC000058166520 221101421 /nfs/dbraw/zinc/10/14/21/221101421.db2.gz SSEBDGJWJGWPJT-UHFFFAOYSA-N 0 0 365.267 4.316 50 5 FIBARN Cc1cccc(NC(=O)[C@H](c2cccc([N+](=O)[O-])c2)N2CCCCC2)c1 ZINC000059878592 221127788 /nfs/dbraw/zinc/12/77/88/221127788.db2.gz YWUBOARTQGPBMA-IBGZPJMESA-N 0 0 353.422 4.069 50 5 FIBARN CCn1c(CCNc2ccc([N+](=O)[O-])c3cccnc23)nc2ccccc21 ZINC000065228871 221182146 /nfs/dbraw/zinc/18/21/46/221182146.db2.gz SLYQJBSREUPYNA-UHFFFAOYSA-N 0 0 361.405 4.167 50 5 FIBARN Cc1ccc([C@H]2CCCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000064984023 221161456 /nfs/dbraw/zinc/16/14/56/221161456.db2.gz JXGWFTVCQUBCGW-LJQANCHMSA-N 0 0 374.462 4.209 50 5 FIBARN Cc1cccc([C@H]2CCCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000064983968 221161625 /nfs/dbraw/zinc/16/16/25/221161625.db2.gz KRBBIFXTGMPLJI-LJQANCHMSA-N 0 0 374.462 4.209 50 5 FIBARN O=C1Nc2cc(Cl)c(Cl)cc2N(O)N1c1ccc(F)c([N+](=O)[O-])c1 ZINC000005200971 132827521 /nfs/dbraw/zinc/82/75/21/132827521.db2.gz BFJLKPCCPXGPAY-UHFFFAOYSA-N 0 0 373.127 4.203 50 5 FIBARN CC[C@H](C)[C@@H](NC(=O)CC(C)(C)C)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000096277343 222108415 /nfs/dbraw/zinc/10/84/15/222108415.db2.gz FVGBYVYHCYQNAM-BLLLJJGKSA-N 0 0 374.441 4.284 50 5 FIBARN O=[N+]([O-])c1ccc(Oc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000100482856 222245636 /nfs/dbraw/zinc/24/56/36/222245636.db2.gz MJAYOPJXLSWVOT-UHFFFAOYSA-N 0 0 373.199 4.222 50 5 FIBARN COc1cc(CNc2ccc([N+](=O)[O-])cc2Cl)ccc1OC(F)F ZINC000007468241 263351296 /nfs/dbraw/zinc/35/12/96/263351296.db2.gz UJVZQYBRYJLEDA-UHFFFAOYSA-N 0 0 358.728 4.470 50 5 FIBARN O=C(OCc1csc(-c2ccco2)n1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000025455840 263388808 /nfs/dbraw/zinc/38/88/08/263388808.db2.gz JPBWGMBAEJIQBA-UHFFFAOYSA-N 0 0 364.766 4.322 50 5 FIBARN O=C1CS[C@H](c2cccc([N+](=O)[O-])c2)N1c1cccc(C(F)(F)F)c1 ZINC000002485136 567996991 /nfs/dbraw/zinc/99/69/91/567996991.db2.gz YJHCZWCIKJYAOE-OAHLLOKOSA-N 0 0 368.336 4.392 50 5 FIBARN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1Cl ZINC000004872539 570553350 /nfs/dbraw/zinc/55/33/50/570553350.db2.gz DIMNDQVVPWLXNO-UHFFFAOYSA-N 0 0 359.813 4.409 50 5 FIBARN C[C@H](NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000004895889 570555627 /nfs/dbraw/zinc/55/56/27/570555627.db2.gz WRRZRNYYPRLUSU-HNNXBMFYSA-N 0 0 353.422 4.076 50 5 FIBARN C[C@@H]1CN(c2ccc(C(=O)c3ccc(Cl)cc3)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000004978450 570569142 /nfs/dbraw/zinc/56/91/42/570569142.db2.gz QQDRSIQCAIGZCS-CHWSQXEVSA-N 0 0 374.824 4.093 50 5 FIBARN CCOc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)cc1 ZINC000004978473 570569777 /nfs/dbraw/zinc/56/97/77/570569777.db2.gz CCRLJEBVTQZTOW-UHFFFAOYSA-N 0 0 368.433 4.461 50 5 FIBARN O=C(NCCOc1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000252480183 570622283 /nfs/dbraw/zinc/62/22/83/570622283.db2.gz BXNPUPONBUCWFG-UHFFFAOYSA-N 0 0 370.192 4.102 50 5 FIBARN COc1ccc2cc(CN(C)C(=O)Nc3ccccc3[N+](=O)[O-])ccc2c1 ZINC000024235993 570625032 /nfs/dbraw/zinc/62/50/32/570625032.db2.gz KAAIHDBZZZXHIJ-UHFFFAOYSA-N 0 0 365.389 4.421 50 5 FIBARN C[C@@H](CNc1cc(Cl)ccc1[N+](=O)[O-])Oc1nonc1-c1ccccc1 ZINC000005172280 570628153 /nfs/dbraw/zinc/62/81/53/570628153.db2.gz VOKWSAJLNVXPEC-NSHDSACASA-N 0 0 374.784 4.178 50 5 FIBARN COc1cccc(NC(=O)Cn2c3ccccc3c(=O)c3cc(C)ccc32)c1 ZINC000006720318 570652734 /nfs/dbraw/zinc/65/27/34/570652734.db2.gz KLUWJCAFJUVOJR-UHFFFAOYSA-N 0 0 372.424 4.110 50 5 FIBARN Nc1nc(NC2CCCCC2)nc(Nc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000005488362 570663501 /nfs/dbraw/zinc/66/35/01/570663501.db2.gz LGGCJFMMVFVUQH-UHFFFAOYSA-N 0 0 362.821 4.109 50 5 FIBARN Cc1cc(C(=O)N[C@@H](C)c2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000005559384 570673039 /nfs/dbraw/zinc/67/30/39/570673039.db2.gz CSTHWXZVYCPKNT-NSHDSACASA-N 0 0 363.211 4.157 50 5 FIBARN CCc1ccc(OCCNc2cc(N3CCCC3)ccc2[N+](=O)[O-])cc1 ZINC000004359641 570754891 /nfs/dbraw/zinc/75/48/91/570754891.db2.gz VXHVEVGBGGJVGA-UHFFFAOYSA-N 0 0 355.438 4.248 50 5 FIBARN O=[N+]([O-])c1cc(COc2ccc(Cl)cc2Cl)c2c(c1)COCO2 ZINC000004390120 570766596 /nfs/dbraw/zinc/76/65/96/570766596.db2.gz NTQZSBMCBMCBAW-UHFFFAOYSA-N 0 0 356.161 4.347 50 5 FIBARN Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)oc(=O)c2ccccc32)cc1 ZINC000002996468 570768884 /nfs/dbraw/zinc/76/88/84/570768884.db2.gz GGRSNDJEWWANLB-UHFFFAOYSA-N 0 0 366.394 4.022 50 5 FIBARN Cc1ccc(NC(=O)CSc2nc3cc([N+](=O)[O-])ccc3o2)cc1C ZINC000032777250 570795348 /nfs/dbraw/zinc/79/53/48/570795348.db2.gz WBFNJWCFODMODB-UHFFFAOYSA-N 0 0 357.391 4.084 50 5 FIBARN O=C(Cc1ccccc1[N+](=O)[O-])N(Cc1cccs1)Cc1cccs1 ZINC000024463743 570841764 /nfs/dbraw/zinc/84/17/64/570841764.db2.gz OWLSUSLRVWWBPT-UHFFFAOYSA-N 0 0 372.471 4.489 50 5 FIBARN C[C@@H](OCCCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000032907541 570847717 /nfs/dbraw/zinc/84/77/17/570847717.db2.gz YXNWOSJRPNAKHB-CYBMUJFWSA-N 0 0 362.813 4.146 50 5 FIBARN O=C(Nc1cccc(-n2cc[nH]c2=S)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000046864834 570875910 /nfs/dbraw/zinc/87/59/10/570875910.db2.gz DBLQXNBEQVDIAY-UHFFFAOYSA-N 0 0 374.809 4.349 50 5 FIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]1c1ccccc1C ZINC000046018453 570920109 /nfs/dbraw/zinc/92/01/09/570920109.db2.gz ROWGNCXQHLPZBY-KRWDZBQOSA-N 0 0 355.394 4.281 50 5 FIBARN Cc1ccc(C)c(COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c1 ZINC000032954454 571016540 /nfs/dbraw/zinc/01/65/40/571016540.db2.gz CNUKRXSYHIBOPU-UHFFFAOYSA-N 0 0 354.406 4.169 50 5 FIBARN Cc1csc(-n2c(C)cc(C(=O)COc3ccccc3[N+](=O)[O-])c2C)n1 ZINC000011036542 571034696 /nfs/dbraw/zinc/03/46/96/571034696.db2.gz QLHIESMSXDHDTF-UHFFFAOYSA-N 0 0 371.418 4.029 50 5 FIBARN O=C(Nc1nc2c(cc(F)cc2F)s1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000008429389 571046805 /nfs/dbraw/zinc/04/68/05/571046805.db2.gz DROAKCKAYRQAPE-UHFFFAOYSA-N 0 0 369.736 4.388 50 5 FIBARN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000225603767 571048948 /nfs/dbraw/zinc/04/89/48/571048948.db2.gz HWHHPICFLVIHHW-HNAYVOBHSA-N 0 0 355.438 4.360 50 5 FIBARN O=C1CCc2cc(-c3csc(-c4ccc([N+](=O)[O-])cc4)n3)c(F)cc2N1 ZINC000084421692 571085376 /nfs/dbraw/zinc/08/53/76/571085376.db2.gz VUCWOCOPULFXEX-UHFFFAOYSA-N 0 0 369.377 4.409 50 5 FIBARN O=C1C[C@@H](c2ccc([N+](=O)[O-])cc2)c2c(n[nH]c2-c2ccc(Cl)cc2)N1 ZINC000009108746 571096389 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571349467 /nfs/dbraw/zinc/34/94/67/571349467.db2.gz MKPQLRWVPUCHJG-UHFFFAOYSA-N 0 0 369.402 4.288 50 5 FIBARN O=C(Cc1ccsc1)OCc1cc(=O)oc2ccc3ccccc3c12 ZINC000003430906 571349598 /nfs/dbraw/zinc/34/95/98/571349598.db2.gz JLQJWKLZOSDIBO-UHFFFAOYSA-N 0 0 350.395 4.294 50 5 FIBARN CCOc1ccc(NC(=O)c2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000004031836 571354293 /nfs/dbraw/zinc/35/42/93/571354293.db2.gz QZNKRXJZIQMGCX-UHFFFAOYSA-N 0 0 365.183 4.008 50 5 FIBARN CCCOc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000004043982 571354429 /nfs/dbraw/zinc/35/44/29/571354429.db2.gz OOANEYATRHKSAX-IZZDOVSWSA-N 0 0 356.378 4.044 50 5 FIBARN CC(=O)c1sc(NC(=O)c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000004070017 571354691 /nfs/dbraw/zinc/35/46/91/571354691.db2.gz DQTQQZRUVRQUNL-UHFFFAOYSA-N 0 0 367.386 4.173 50 5 FIBARN CC1=CC[C@H](C(=O)NCc2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000004191290 571356651 /nfs/dbraw/zinc/35/66/51/571356651.db2.gz RFKBMQYOQUGMFV-PMACEKPBSA-N 0 0 350.418 4.351 50 5 FIBARN O=C(Oc1ccc(Cl)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000004846147 1086162774 /nfs/dbraw/zinc/16/27/74/1086162774.db2.gz ISTRDSHOXRTGET-UHFFFAOYSA-N 0 0 360.797 4.458 50 5 FIBARN O=C(Nc1ccccc1)c1ccccc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000000670430 210260163 /nfs/dbraw/zinc/26/01/63/210260163.db2.gz AWRRBNAYBIGQTK-UHFFFAOYSA-N 0 0 361.357 4.099 50 5 FIBARN O=C(NCc1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1Cl ZINC000000668786 210259382 /nfs/dbraw/zinc/25/93/82/210259382.db2.gz PFBVYYIKSRKMPO-UHFFFAOYSA-N 0 0 359.596 4.485 50 5 FIBARN Cc1sc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 ZINC000000656921 210257439 /nfs/dbraw/zinc/25/74/39/210257439.db2.gz VBDSVLCFMLTYOG-UHFFFAOYSA-N 0 0 353.403 4.208 50 5 FIBARN CC1(C)C[C@H](C(=O)COc2ccc3c(c2)oc(=O)c2ccccc32)CCO1 ZINC000000627911 210253026 /nfs/dbraw/zinc/25/30/26/210253026.db2.gz LLGJIUDIWXHKSJ-CQSZACIVSA-N 0 0 366.413 4.099 50 5 biogenic FIBARN COC(=O)c1ccc(-c2c3c[nH]nc3nc3c4ccc(O)cc4oc32)cc1 ZINC000096221302 210239330 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Cc1nnc(SCc2cccc([N+](=O)[O-])c2C)n1-c1cccc(C)c1 ZINC000040122992 211491969 /nfs/dbraw/zinc/49/19/69/211491969.db2.gz WTDBHCJRDHVVOX-UHFFFAOYSA-N 0 0 354.435 4.393 50 5 FIBARN O=[N+]([O-])c1cc(-c2noc(-c3cccnc3)n2)ccc1NC1CCCCC1 ZINC000020894343 211299077 /nfs/dbraw/zinc/29/90/77/211299077.db2.gz WQIPMPILMYNDGD-UHFFFAOYSA-N 0 0 365.393 4.451 50 5 FIBARN COc1ccc([C@H]2CCCCCN2C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000016470972 211160501 /nfs/dbraw/zinc/16/05/01/211160501.db2.gz CXAAZODIXKHUOG-LJQANCHMSA-N 0 0 354.406 4.361 50 5 FIBARN CCC(=O)N(c1ccccc1)C1CC[N+]([O-])(CCc2ccccc2)CC1 ZINC000016698273 211165952 /nfs/dbraw/zinc/16/59/52/211165952.db2.gz RYSCOBQROPDNKR-UHFFFAOYSA-N 0 0 352.478 4.149 50 5 FIBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCc1c[nH]c2ccccc12 ZINC000015178833 211123499 /nfs/dbraw/zinc/12/34/99/211123499.db2.gz WJBYQDCXNLDJFO-AWEZNQCLSA-N 0 0 351.406 4.228 50 5 FIBARN O=[N+]([O-])c1ccc(F)cc1Oc1nc(C(F)(F)F)nc2ccccc21 ZINC000009740945 210851399 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/nfs/dbraw/zinc/23/02/83/571230283.db2.gz MZHQWSMBTWBJAN-UHFFFAOYSA-N 0 0 368.220 4.052 50 5 FIBARN COc1cccc(C(=O)Nc2ccc3c(c2)oc2c(F)cccc2c3=O)c1 ZINC000006661072 571239721 /nfs/dbraw/zinc/23/97/21/571239721.db2.gz NGHKLNBWBUTPQI-UHFFFAOYSA-N 0 0 363.344 4.346 50 5 FIBARN COc1ccccc1C(=O)Nc1ccc2c(c1)oc1c(F)cccc1c2=O ZINC000006660745 571239772 /nfs/dbraw/zinc/23/97/72/571239772.db2.gz YQXVLMQMIKULKQ-UHFFFAOYSA-N 0 0 363.344 4.346 50 5 FIBARN CCN(c1cccc2ccccc21)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000006757821 571245138 /nfs/dbraw/zinc/24/51/38/571245138.db2.gz LREKNLOHEUTYFH-UHFFFAOYSA-N 0 0 370.430 4.272 50 5 FIBARN CN(Cc1cccs1)C(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 ZINC000006831615 571249411 /nfs/dbraw/zinc/24/94/11/571249411.db2.gz ZZCIYLZCYMFHHD-UHFFFAOYSA-N 0 0 373.478 4.309 50 5 FIBARN COc1ccc(OC)c(NC(=O)c2cc3c(ccc4ccccc43)oc2=N)c1 ZINC000007066083 571260399 /nfs/dbraw/zinc/26/03/99/571260399.db2.gz WZMCHDFKAZNQPX-UHFFFAOYSA-N 0 0 374.396 4.335 50 5 FIBARN Cc1nnc(S[C@H](C)c2cccc([N+](=O)[O-])c2)n1Cc1ccccc1 ZINC000007361882 571264832 /nfs/dbraw/zinc/26/48/32/571264832.db2.gz AYWCDGCUFQAYPH-CYBMUJFWSA-N 0 0 354.435 4.396 50 5 FIBARN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000252539840 571283062 /nfs/dbraw/zinc/28/30/62/571283062.db2.gz OMWKZESJBNYCOR-CVGURMSBSA-N 0 0 372.387 4.380 50 5 FIBARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000007706110 571286099 /nfs/dbraw/zinc/28/60/99/571286099.db2.gz CLEHDXLSUXKZCQ-OCHBPSSRSA-N 0 0 367.430 4.437 50 5 FIBARN Cn1c2ccc([N+](=O)[O-])cc2sc1=NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000252668776 571292279 /nfs/dbraw/zinc/29/22/79/571292279.db2.gz FNULNVAWMLGWMF-UHFFFAOYSA-N 0 0 369.446 4.187 50 5 FIBARN C[C@H](Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1 ZINC000009095379 571321011 /nfs/dbraw/zinc/32/10/11/571321011.db2.gz FRROLFMDMXWEEW-GFCCVEGCSA-N 0 0 368.418 4.045 50 5 FIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)Cc1csc(-c2ccsc2)n1 ZINC000012791601 571322710 /nfs/dbraw/zinc/32/27/10/571322710.db2.gz RJONMMRXNGJTET-UHFFFAOYSA-N 0 0 359.432 4.269 50 5 FIBARN O=c1ccccc2c(/C=C/c3ccc([N+](=O)[O-])cc3)nn(-c3ccccc3)c21 ZINC000096562251 571336166 /nfs/dbraw/zinc/33/61/66/571336166.db2.gz BQYCKPYMCWPPND-NTCAYCPXSA-N 0 0 369.380 4.464 50 5 FIBARN Cc1[nH]c2ccccc2c1SCCNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000002721063 571340559 /nfs/dbraw/zinc/34/05/59/571340559.db2.gz OYXSXIJKOMLVJQ-UHFFFAOYSA-N 0 0 369.446 4.215 50 5 FIBARN O=C(Nc1cc(Cl)cc(Cl)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000002875002 571341461 /nfs/dbraw/zinc/34/14/61/571341461.db2.gz CKCQGPOQYMYXKL-UHFFFAOYSA-N 0 0 356.121 4.062 50 5 FIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1[C@H](c2ccccc2)C1(Cl)Cl ZINC000002906691 571341534 /nfs/dbraw/zinc/34/15/34/571341534.db2.gz SHFZVGNGAINVNE-GJZGRUSLSA-N 0 0 365.216 4.429 50 5 FIBARN CC(C)c1ccc([C@@H]2C[C@H](c3cccc([N+](=O)[O-])c3)n3ncnc3N2)cc1 ZINC000002919382 571341744 /nfs/dbraw/zinc/34/17/44/571341744.db2.gz FGWRIIPIXKOPHG-RBUKOAKNSA-N 0 0 363.421 4.456 50 5 FIBARN O=C(Nc1ccc2c[nH]nc2c1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000029371970 571342406 /nfs/dbraw/zinc/34/24/06/571342406.db2.gz TUTAKQYSVHZUBK-UHFFFAOYSA-N 0 0 373.372 4.467 50 5 FIBARN O=C(COc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc2ccccc21 ZINC000003416221 571349302 /nfs/dbraw/zinc/34/93/02/571349302.db2.gz BLRDULHJJBBGNL-UHFFFAOYSA-N 0 0 356.765 4.419 50 5 FIBARN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc(C(F)(F)F)c1 ZINC000003435782 571349643 /nfs/dbraw/zinc/34/96/43/571349643.db2.gz MNYPPGHVVGFHOU-UHFFFAOYSA-N 0 0 356.325 4.344 50 5 FIBARN Cc1cccc2c(=O)c3c(O)cc(OCC(=O)c4ccccc4)cc3oc12 ZINC000004086547 571355006 /nfs/dbraw/zinc/35/50/06/571355006.db2.gz YADKBBDSWLQPFD-UHFFFAOYSA-N 0 0 360.365 4.222 50 5 biogenic FIBARN Cc1ccccc1N(c1ccc([N+](=O)[O-])cn1)c1ccc([N+](=O)[O-])cn1 ZINC000004191126 571356636 /nfs/dbraw/zinc/35/66/36/571356636.db2.gz QKQFKEOKZKONEH-UHFFFAOYSA-N 0 0 351.322 4.071 50 5 FIBARN CCCCOc1cccc(C(=O)Nc2ccc(OCC)cc2[N+](=O)[O-])c1 ZINC000004313597 571357807 /nfs/dbraw/zinc/35/78/07/571357807.db2.gz CYYGYJDCTQHENO-UHFFFAOYSA-N 0 0 358.394 4.425 50 5 FIBARN COc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)c1 ZINC000004978387 1086430808 /nfs/dbraw/zinc/43/08/08/1086430808.db2.gz OBYOCCHFFFCDFZ-UHFFFAOYSA-N 0 0 369.421 4.092 50 5 FIBARN Cc1nn(-c2ccccc2)c2nc(C(C)C)n3c4ccccc4nc3c2c1=O ZINC000005206833 1087606231 /nfs/dbraw/zinc/60/62/31/1087606231.db2.gz VQVYGFJTOKXREP-UHFFFAOYSA-N 0 0 369.428 4.013 50 5 FIBARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000000672457 210260899 /nfs/dbraw/zinc/26/08/99/210260899.db2.gz HUESFOZNPZICAG-MRVPVSSYSA-N 0 0 373.167 4.447 50 5 FIBARN COc1ccc(NC(=O)c2cc(Cl)c(Cl)c([N+](=O)[O-])c2)c(OC)c1 ZINC000008942907 210231112 /nfs/dbraw/zinc/23/11/12/210231112.db2.gz KNMMIWAMXNPFCN-UHFFFAOYSA-N 0 0 371.176 4.171 50 5 FIBARN CCOC(=O)c1ccc(OC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000001741907 210150643 /nfs/dbraw/zinc/15/06/43/210150643.db2.gz NOWHCUKFUTVTCJ-UHFFFAOYSA-N 0 0 364.741 4.036 50 5 FIBARN CC(C)(C)c1ccc(C2=N/C(=C/c3cccc([N+](=O)[O-])c3)C(=O)O2)cc1 ZINC000000711878 219316732 /nfs/dbraw/zinc/31/67/32/219316732.db2.gz LZPIUEDVUZPKQL-SFQUDFHCSA-N 0 0 350.374 4.237 50 5 FIBARN Cc1nn(C(=O)c2cccs2)c(C)c1Sc1ccc([N+](=O)[O-])cc1 ZINC000000834973 219329068 /nfs/dbraw/zinc/32/90/68/219329068.db2.gz NOXQWJYFERFXEV-UHFFFAOYSA-N 0 0 359.432 4.309 50 5 FIBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000001234720 219391321 /nfs/dbraw/zinc/39/13/21/219391321.db2.gz GXYALGZHAUBWEX-UHFFFAOYSA-N 0 0 355.575 4.263 50 5 FIBARN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1Br ZINC000001230612 219391723 /nfs/dbraw/zinc/39/17/23/219391723.db2.gz HPMDJKGTSRPPJO-UHFFFAOYSA-N 0 0 355.575 4.263 50 5 FIBARN COc1ccc(Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1OC ZINC000012734575 220022388 /nfs/dbraw/zinc/02/23/88/220022388.db2.gz NWNRJECTZYUIEO-UHFFFAOYSA-N 0 0 357.391 4.479 50 5 FIBARN COc1ccc(CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C2CC2)cc1 ZINC000012780662 220028795 /nfs/dbraw/zinc/02/87/95/220028795.db2.gz HWHULGXNVGXVMZ-UHFFFAOYSA-N 0 0 360.797 4.062 50 5 FIBARN O=C(NCc1cc(F)ccc1[N+](=O)[O-])c1ccc(SC(F)(F)F)cc1 ZINC000058367685 212006421 /nfs/dbraw/zinc/00/64/21/212006421.db2.gz ZEKDPCGKIWWVGD-UHFFFAOYSA-N 0 0 374.315 4.276 50 5 FIBARN Cc1c(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)cccc1[N+](=O)[O-] ZINC000019164887 220239229 /nfs/dbraw/zinc/23/92/29/220239229.db2.gz IERCUSPOUMKQBW-UHFFFAOYSA-N 0 0 362.389 4.219 50 5 FIBARN O=C(Nc1ccnn1Cc1cccc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000040142323 211730347 /nfs/dbraw/zinc/73/03/47/211730347.db2.gz MJVIODYPVOULFA-UHFFFAOYSA-N 0 0 372.384 4.245 50 5 FIBARN COc1cc(CN2c3ccccc3C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000027269133 211462244 /nfs/dbraw/zinc/46/22/44/211462244.db2.gz XQDSPXGWQKEQAC-NSHDSACASA-N 0 0 364.348 4.156 50 5 FIBARN COc1ccc(NC(=O)N[C@H](C)c2cc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000023394338 211386860 /nfs/dbraw/zinc/38/68/60/211386860.db2.gz OWMSMQIZCWPLEK-LLVKDONJSA-N 0 0 355.350 4.232 50 5 FIBARN O=[N+]([O-])c1ccc(-c2nc(-c3ccc4c(c3)ncn4C3CCCC3)no2)o1 ZINC000021116994 211307382 /nfs/dbraw/zinc/30/73/82/211307382.db2.gz HQEFXZHRUZYJGN-UHFFFAOYSA-N 0 0 365.349 4.370 50 5 FIBARN O=c1oc2c(ccc3c2CN(CCc2ccccc2)CO3)c2ccccc21 ZINC000019882463 211260149 /nfs/dbraw/zinc/26/01/49/211260149.db2.gz QMUAMDYXCZAVGZ-UHFFFAOYSA-N 0 0 357.409 4.341 50 5 biogenic FIBARN O=C(CSc1nccn1C1CCCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000015825369 211145213 /nfs/dbraw/zinc/14/52/13/211145213.db2.gz GCKSGIWMYWVSRX-UHFFFAOYSA-N 0 0 360.439 4.027 50 5 FIBARN CSc1ccc(C(=O)N(C)Cc2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000015091626 211121281 /nfs/dbraw/zinc/12/12/81/211121281.db2.gz YBDTVPRGDKOFQA-UHFFFAOYSA-N 0 0 373.459 4.199 50 5 FIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000013745101 211056454 /nfs/dbraw/zinc/05/64/54/211056454.db2.gz XUAHZXYKMFIKRW-MRVPVSSYSA-N 0 0 355.803 4.201 50 5 FIBARN Cc1ccc(CCC2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000012997816 211016648 /nfs/dbraw/zinc/01/66/48/211016648.db2.gz ZRMPIDWJSWHQJG-UHFFFAOYSA-N 0 0 352.434 4.388 50 5 FIBARN CCCCCc1ccc(Oc2nc3ccccn3c(=O)c2[N+](=O)[O-])cc1 ZINC000012910692 211006557 /nfs/dbraw/zinc/00/65/57/211006557.db2.gz MKCANRRJKFJCPT-UHFFFAOYSA-N 0 0 353.378 4.128 50 5 FIBARN CC[C@H](NC(=O)CCCNc1ccccc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000012562244 210970942 /nfs/dbraw/zinc/97/09/42/210970942.db2.gz OIXPQYDSSVOFLY-KRWDZBQOSA-N 0 0 355.438 4.363 50 5 FIBARN O=C(Nc1ccccc1Cc1ccccc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000036394516 210845145 /nfs/dbraw/zinc/84/51/45/210845145.db2.gz SHKSEPMBBWHZQX-UHFFFAOYSA-N 0 0 372.384 4.314 50 5 FIBARN Clc1ccc2c(c1)c1nc3ccccc3nc1n2CCC1OCCO1 ZINC000009419543 210833937 /nfs/dbraw/zinc/83/39/37/210833937.db2.gz LQFRYCLRWQAZTR-UHFFFAOYSA-N 0 0 353.809 4.154 50 5 FIBARN Cc1c(NC(=O)c2ccc(COc3ccccc3)o2)cccc1[N+](=O)[O-] ZINC000008266952 210778742 /nfs/dbraw/zinc/77/87/42/210778742.db2.gz UJBZFJCMQGFNKM-UHFFFAOYSA-N 0 0 352.346 4.328 50 5 FIBARN O=C(COc1cc(F)ccc1[N+](=O)[O-])Nc1ccc(-c2ccccc2)cc1 ZINC000006561158 210679286 /nfs/dbraw/zinc/67/92/86/210679286.db2.gz CXMQVSNSMQIRCT-UHFFFAOYSA-N 0 0 366.348 4.418 50 5 FIBARN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000005041215 210593502 /nfs/dbraw/zinc/59/35/02/210593502.db2.gz BEFGQWPKXKVSBZ-ZDUSSCGKSA-N 0 0 358.394 4.134 50 5 FIBARN Cc1c(-c2nc(-c3cccc(Br)c3)no2)cccc1[N+](=O)[O-] ZINC000004840125 210570113 /nfs/dbraw/zinc/57/01/13/210570113.db2.gz WGLZDHNZXDDFGX-UHFFFAOYSA-N 0 0 360.167 4.383 50 5 FIBARN COc1ccc(NC(=O)COc2ccc(C(C)C)c(C)c2)c([N+](=O)[O-])c1 ZINC000004040488 210504267 /nfs/dbraw/zinc/50/42/67/210504267.db2.gz PLELVJGRPQWQAB-UHFFFAOYSA-N 0 0 358.394 4.053 50 5 FIBARN O=C1OC(/C=C/c2ccc(Cl)cc2)=N/C1=C/c1ccccc1[N+](=O)[O-] ZINC000002942385 210438860 /nfs/dbraw/zinc/43/88/60/210438860.db2.gz AGBOULMKZUTIQB-UNRYZTPYSA-N 0 0 354.749 4.258 50 5 FIBARN Cc1nn(-c2cccc([N+](=O)[O-])c2)c(N)c1-c1cccc(C(F)(F)F)c1 ZINC000002508491 210402566 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4.387 50 5 FIBARN Cc1occc1C(=O)Nc1cc(Sc2ccccn2)cc([N+](=O)[O-])c1 ZINC000002760187 219462177 /nfs/dbraw/zinc/46/21/77/219462177.db2.gz CPHSBKHARUSVEQ-UHFFFAOYSA-N 0 0 355.375 4.295 50 5 FIBARN O=C(Nc1nnc(C2CCCCC2)s1)c1ccc([N+](=O)[O-])cc1Cl ZINC000002818696 219467862 /nfs/dbraw/zinc/46/78/62/219467862.db2.gz WLEHRPVHOPXPBR-UHFFFAOYSA-N 0 0 366.830 4.400 50 5 FIBARN O=C(NCc1ccco1)c1ccc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000003020152 219482415 /nfs/dbraw/zinc/48/24/15/219482415.db2.gz RNBFGHGVINWRKQ-UHFFFAOYSA-N 0 0 372.377 4.408 50 5 FIBARN O=C1OC(c2ccc(Cl)c(Cl)c2)=N/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000003016983 219482457 /nfs/dbraw/zinc/48/24/57/219482457.db2.gz ZFUSIJSNHKNIAU-AUWJEWJLSA-N 0 0 363.156 4.246 50 5 FIBARN O=C(Nc1c(Cl)cccc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000003123008 219487746 /nfs/dbraw/zinc/48/77/46/219487746.db2.gz GACMPRFEXAKBBH-UHFFFAOYSA-N 0 0 356.121 4.062 50 5 FIBARN C[C@@H]1CCc2nc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])sc2C1 ZINC000003200458 219491399 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O=c1[nH]nc(-c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c2ccccc12 ZINC000004981299 219633075 /nfs/dbraw/zinc/63/30/75/219633075.db2.gz JPMDPKQWQZZZMO-UHFFFAOYSA-N 0 0 372.384 4.110 50 5 FIBARN O=[N+]([O-])c1ccc(-c2nc3nc4ccccc4nc3n2Cc2ccco2)cc1 ZINC000005050156 219645347 /nfs/dbraw/zinc/64/53/47/219645347.db2.gz JBZVPYSEBKRAPR-UHFFFAOYSA-N 0 0 371.356 4.196 50 5 FIBARN CC(C)(C)c1csc(NC(=O)COc2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000005496987 219684307 /nfs/dbraw/zinc/68/43/07/219684307.db2.gz AOQTWJAZXNSCEF-UHFFFAOYSA-N 0 0 369.830 4.020 50 5 FIBARN O=C(Nc1ccc(Br)cc1)OCc1ccc([N+](=O)[O-])cc1 ZINC000005715195 219695575 /nfs/dbraw/zinc/69/55/75/219695575.db2.gz LLTVNOLEMYHWPU-UHFFFAOYSA-N 0 0 351.156 4.106 50 5 FIBARN O=C(COc1ccc(F)cc1)Nc1ccc2c(c1)oc1ccccc1c2=O ZINC000006660687 219744401 /nfs/dbraw/zinc/74/44/01/219744401.db2.gz CZSLVTYSGLFWOT-UHFFFAOYSA-N 0 0 363.344 4.103 50 5 FIBARN C[C@@H](Sc1nnc(Cc2cccs2)n1C)c1cccc([N+](=O)[O-])c1 ZINC000007822124 219828529 /nfs/dbraw/zinc/82/85/29/219828529.db2.gz RKWKJJKNZFDODH-LLVKDONJSA-N 0 0 360.464 4.229 50 5 FIBARN CCCCOc1ccc(NC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])cc1 ZINC000008072885 219844874 /nfs/dbraw/zinc/84/48/74/219844874.db2.gz CUTLUNJJQVYJLY-CQSZACIVSA-N 0 0 358.394 4.180 50 5 FIBARN COc1ccccc1CNC(=O)c1oc(-c2cccc([N+](=O)[O-])c2)cc1C ZINC000009668247 219884159 /nfs/dbraw/zinc/88/41/59/219884159.db2.gz OPSMTGBLZXYIJI-UHFFFAOYSA-N 0 0 366.373 4.102 50 5 FIBARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000010381956 219900318 /nfs/dbraw/zinc/90/03/18/219900318.db2.gz IHXPTVOLFSDQCD-UHFFFAOYSA-N 0 0 351.366 4.041 50 5 FIBARN COc1ccc(C(=O)[C@H](C)Oc2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 ZINC000012521515 220001876 /nfs/dbraw/zinc/00/18/76/220001876.db2.gz IMZPHZNFFRKVNY-AWEZNQCLSA-N 0 0 373.408 4.340 50 5 FIBARN COc1ccc(C(=O)[C@@H](C)Oc2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 ZINC000012521514 220001884 /nfs/dbraw/zinc/00/18/84/220001884.db2.gz IMZPHZNFFRKVNY-CQSZACIVSA-N 0 0 373.408 4.340 50 5 FIBARN O=C(NCCCn1ccc2ccccc21)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000012555653 220007065 /nfs/dbraw/zinc/00/70/65/220007065.db2.gz LYNCNTHGBOTZSS-UHFFFAOYSA-N 0 0 357.797 4.023 50 5 FIBARN Cn1ccnc1[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1F ZINC000012575382 220010078 /nfs/dbraw/zinc/01/00/78/220010078.db2.gz ZKANRVOKLLMDBC-MRXNPFEDSA-N 0 0 360.776 4.322 50 5 FIBARN Cc1cccc(C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)c1[N+](=O)[O-] ZINC000012575776 220010155 /nfs/dbraw/zinc/01/01/55/220010155.db2.gz ZKFYMJDGGXVKRD-UHFFFAOYSA-N 0 0 364.405 4.232 50 5 FIBARN CCOCc1c2ccccc2oc1C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000012789114 220030703 /nfs/dbraw/zinc/03/07/03/220030703.db2.gz QZJJNEGAYFPVJA-UHFFFAOYSA-N 0 0 370.361 4.138 50 5 FIBARN Cc1nc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)co1 ZINC000012980567 220048832 /nfs/dbraw/zinc/04/88/32/220048832.db2.gz BCUWPOOGEAGRTC-UHFFFAOYSA-N 0 0 357.753 4.464 50 5 FIBARN O=C(NCc1csc(-c2ccccc2)n1)Nc1cccc([N+](=O)[O-])c1 ZINC000014901421 220135789 /nfs/dbraw/zinc/13/57/89/220135789.db2.gz XGBLXKWRCIWWBA-UHFFFAOYSA-N 0 0 354.391 4.040 50 5 FIBARN CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000023391575 220426143 /nfs/dbraw/zinc/42/61/43/220426143.db2.gz JVFLXNQJWSBCBK-UHFFFAOYSA-N 0 0 369.830 4.372 50 5 FIBARN COc1ccc(C(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cc1[N+](=O)[O-] ZINC000032753923 220675299 /nfs/dbraw/zinc/67/52/99/220675299.db2.gz ULUMRKDNYNEQGH-LBPRGKRZSA-N 0 0 354.362 4.183 50 5 FIBARN COc1ccccc1-c1nc(COC(=O)c2ccccc2[N+](=O)[O-])cs1 ZINC000032941939 220703985 /nfs/dbraw/zinc/70/39/85/220703985.db2.gz QKFJKRCQTHIULS-UHFFFAOYSA-N 0 0 370.386 4.084 50 5 FIBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](OCc2cccc(Cl)c2)C1 ZINC000036314863 220811887 /nfs/dbraw/zinc/81/18/87/220811887.db2.gz KMZCLKLOTJARIX-SFHVURJKSA-N 0 0 374.824 4.070 50 5 FIBARN Cc1c(CS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000040121917 220885019 /nfs/dbraw/zinc/88/50/19/220885019.db2.gz KQEQZHREAAWZHL-UHFFFAOYSA-N 0 0 373.352 4.037 50 5 FIBARN CCN(Cc1ccccc1[N+](=O)[O-])Cn1nc(C2CC2)n(C2CC2)c1=S ZINC000054477037 221053075 /nfs/dbraw/zinc/05/30/75/221053075.db2.gz SSMLYPLFIKBJQY-UHFFFAOYSA-N 0 0 373.482 4.014 50 5 FIBARN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000057131149 221083719 /nfs/dbraw/zinc/08/37/19/221083719.db2.gz ADJVOZAIOPEMEU-UHFFFAOYSA-N 0 0 373.771 4.067 50 5 FIBARN O=C(NCc1ccccc1[N+](=O)[O-])c1c[nH]cc1-c1ccc(Cl)s1 ZINC000064026368 221144946 /nfs/dbraw/zinc/14/49/46/221144946.db2.gz YRGDTJIBPUFEOP-UHFFFAOYSA-N 0 0 361.810 4.235 50 5 FIBARN Cc1cccc(N2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)CC2)c1C ZINC000055543133 132206417 /nfs/dbraw/zinc/20/64/17/132206417.db2.gz MBYOCZJACZHAGP-UHFFFAOYSA-N 0 0 359.857 4.187 50 5 FIBARN O=C(Nc1ccccc1N1CCCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000001135394 132377619 /nfs/dbraw/zinc/37/76/19/132377619.db2.gz IRCFRQYCXYGEMO-UHFFFAOYSA-N 0 0 359.813 4.491 50 5 FIBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1cccc(N2CCOCC2)c1 ZINC000001042629 132379748 /nfs/dbraw/zinc/37/97/48/132379748.db2.gz HEIVSNYVNULOSZ-UHFFFAOYSA-N 0 0 368.311 4.243 50 5 FIBARN O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000001145523 132380364 /nfs/dbraw/zinc/38/03/64/132380364.db2.gz ROLXQFSVSYWIRE-UHFFFAOYSA-N 0 0 359.813 4.491 50 5 FIBARN Cc1ccc(Nc2cc(N3CCCCC3)c3nonc3c2[N+](=O)[O-])c(C)c1 ZINC000004116733 132386461 /nfs/dbraw/zinc/38/64/61/132386461.db2.gz ROOOVKDIQFHWSS-UHFFFAOYSA-N 0 0 367.409 4.482 50 5 FIBARN Cc1ccccc1Nc1cc(N2CCCCC2)c2nonc2c1[N+](=O)[O-] ZINC000004116745 132386482 /nfs/dbraw/zinc/38/64/82/132386482.db2.gz LEYJIDVBPOTVRC-UHFFFAOYSA-N 0 0 353.382 4.173 50 5 FIBARN CCOc1ccc(C(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000004575553 132823610 /nfs/dbraw/zinc/82/36/10/132823610.db2.gz OTCOXHSBSWHAIM-UHFFFAOYSA-N 0 0 354.406 4.215 50 5 FIBARN Cc1cc(C)cc(N(C)C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000048300504 136123368 /nfs/dbraw/zinc/12/33/68/136123368.db2.gz PFXPLCXNLFMGSO-UHFFFAOYSA-N 0 0 367.449 4.091 50 5 FIBARN C[C@H](Oc1ccccc1)C(=O)Nc1ccc2oc3ccccc3c(=O)c2c1 ZINC000095457275 221909315 /nfs/dbraw/zinc/90/93/15/221909315.db2.gz SZWYKRXHDFNQML-AWEZNQCLSA-N 0 0 359.381 4.352 50 5 FIBARN O=C(OCc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1SCCc2ccccc21 ZINC000097050260 222154924 /nfs/dbraw/zinc/15/49/24/222154924.db2.gz VTCGFRPHGMIIJP-INIZCTEOSA-N 0 0 363.822 4.322 50 5 FIBARN COC(=O)/C=C\c1ccc(Nc2ccc3[nH]c(C)cc3c2)c([N+](=O)[O-])c1 ZINC000097079661 222157226 /nfs/dbraw/zinc/15/72/26/222157226.db2.gz FRQLCVCJGDVWRV-YWEYNIOJSA-N 0 0 351.362 4.314 50 5 FIBARN Cc1cc(Cl)ccc1Nc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000100438390 222244344 /nfs/dbraw/zinc/24/43/44/222244344.db2.gz KGGWHKRCNYFILL-UHFFFAOYSA-N 0 0 352.690 4.117 50 5 FIBARN O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000104229281 222353005 /nfs/dbraw/zinc/35/30/05/222353005.db2.gz MJGBRCNTJMOLMM-UHFFFAOYSA-N 0 0 372.215 4.174 50 5 FIBARN Cc1c(C(=O)NCCSc2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000002985108 263328092 /nfs/dbraw/zinc/32/80/92/263328092.db2.gz BOVFVVGXHCAMQI-UHFFFAOYSA-N 0 0 350.827 4.079 50 5 FIBARN CCN(CC)c1ccc(-c2nc(-c3ccccc3C)no2)cc1[N+](=O)[O-] ZINC000008587076 263356790 /nfs/dbraw/zinc/35/67/90/263356790.db2.gz QFHWYVAHENODHS-UHFFFAOYSA-N 0 0 352.394 4.466 50 5 FIBARN Cc1nc(S[C@@H](C)c2cccc([N+](=O)[O-])c2)n(C[C@H]2CCCO2)c1C ZINC000020990240 527023390 /nfs/dbraw/zinc/02/33/90/527023390.db2.gz KCKOYADQOAYSOL-WMLDXEAASA-N 0 0 361.467 4.440 50 5 FIBARN CCCCn1c(=O)nc2n(-c3ccc(C)cc3C)c3ccccc3cc-2c1=O ZINC000002124405 570514426 /nfs/dbraw/zinc/51/44/26/570514426.db2.gz DBEZOVYSIZMNSD-UHFFFAOYSA-N 0 0 373.456 4.069 50 5 FIBARN O=C1OC(c2ccccc2)=N/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000004838091 570525784 /nfs/dbraw/zinc/52/57/84/570525784.db2.gz LWCLMKHZHMVEDX-ATVHPVEESA-N 0 0 360.325 4.199 50 5 FIBARN O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000004844792 570533521 /nfs/dbraw/zinc/53/35/21/570533521.db2.gz GEMBUUKVHYUCQK-UHFFFAOYSA-N 0 0 370.386 4.188 50 5 FIBARN 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FIBARN O=C1C[C@H](c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C2(CCCCC2)O1 ZINC000002259071 571293875 /nfs/dbraw/zinc/29/38/75/571293875.db2.gz RJNQWRLBZVRUKN-CQSZACIVSA-N 0 0 358.419 4.452 50 5 FIBARN O=C(Nc1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000009355160 571321162 /nfs/dbraw/zinc/32/11/62/571321162.db2.gz OZAANFFSBFLBKG-UHFFFAOYSA-N 0 0 361.357 4.099 50 5 FIBARN O=C(CNc1cccc([N+](=O)[O-])c1)Nc1ccccc1Oc1ccccc1 ZINC000007954194 571323359 /nfs/dbraw/zinc/32/33/59/571323359.db2.gz NRRFUJDXYXWKFO-UHFFFAOYSA-N 0 0 363.373 4.438 50 5 FIBARN C[C@H](NC(=O)N1CCCCC[C@H]1c1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000080054241 571328587 /nfs/dbraw/zinc/32/85/87/571328587.db2.gz YDMSMLAUYPJDMV-KXBFYZLASA-N 0 0 368.437 4.378 50 5 FIBARN O=[N+]([O-])c1ccc(-c2nn3c(nnc3-c3cccs3)s2)c(Cl)c1 ZINC000096581704 571336291 /nfs/dbraw/zinc/33/62/91/571336291.db2.gz CMKYFKHMRUOJIP-UHFFFAOYSA-N 0 0 363.811 4.143 50 5 FIBARN O=C(Nc1ccc(F)cc1)c1ccc(COc2ccccc2[N+](=O)[O-])o1 ZINC000002761287 571340819 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50 5 FIBARN O=[N+]([O-])c1cc(COc2cc(Cl)ccc2Cl)c2c(c1)COCO2 ZINC000003292023 571346824 /nfs/dbraw/zinc/34/68/24/571346824.db2.gz CSEBAXPKCNDIET-UHFFFAOYSA-N 0 0 356.161 4.347 50 5 FIBARN Nc1c(Cl)cc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1Cl ZINC000003407799 571349169 /nfs/dbraw/zinc/34/91/69/571349169.db2.gz DNZDARDZMKKOOW-UHFFFAOYSA-N 0 0 360.584 4.390 50 5 FIBARN O=C(CCSc1ccc(Cl)cc1)OCc1ccc([N+](=O)[O-])cc1 ZINC000003530304 571350685 /nfs/dbraw/zinc/35/06/85/571350685.db2.gz NTPKMQWRYPRXPA-UHFFFAOYSA-N 0 0 351.811 4.474 50 5 FIBARN Cc1cccc2nc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4)c3)cn21 ZINC000003672823 571352227 /nfs/dbraw/zinc/35/22/27/571352227.db2.gz FNAULYZRLCRNSR-UHFFFAOYSA-N 0 0 372.384 4.470 50 5 FIBARN O=C(Nc1nc2ccc(F)cc2s1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000004077599 571354830 /nfs/dbraw/zinc/35/48/30/571354830.db2.gz GFWPKGOXTRQBQP-UHFFFAOYSA-N 0 0 351.746 4.249 50 5 FIBARN O=C(Nc1ccccc1Cl)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000008286627 571360270 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FIBARN Cc1nn(C(=O)c2ccccc2)c(C)c1Sc1ccccc1[N+](=O)[O-] ZINC000001185207 219386282 /nfs/dbraw/zinc/38/62/82/219386282.db2.gz AMTCBSUKLOISFC-UHFFFAOYSA-N 0 0 353.403 4.248 50 5 FIBARN Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000001185544 219386563 /nfs/dbraw/zinc/38/65/63/219386563.db2.gz VMHPKISSXWKBEX-UHFFFAOYSA-N 0 0 355.177 4.228 50 5 FIBARN O=[N+]([O-])c1ccc(Cc2noc(COc3ccc4ccccc4c3)n2)cc1 ZINC000001205856 219388155 /nfs/dbraw/zinc/38/81/55/219388155.db2.gz BHNHDDPVLOUTLG-UHFFFAOYSA-N 0 0 361.357 4.301 50 5 FIBARN Cc1nn(C(=O)c2ccc(F)cc2)c(C)c1Sc1ccc([N+](=O)[O-])cc1 ZINC000001212703 219390382 /nfs/dbraw/zinc/39/03/82/219390382.db2.gz MQUDIPYUYCODBA-UHFFFAOYSA-N 0 0 371.393 4.387 50 5 FIBARN O=c1oc2ccc([N+](=O)[O-])cc2cc1-c1csc(-c2ccccc2)n1 ZINC000001310693 219395426 /nfs/dbraw/zinc/39/54/26/219395426.db2.gz OMVRLLONIMTCRK-UHFFFAOYSA-N 0 0 350.355 4.492 50 5 FIBARN COc1ccc(C(=O)OCC=C=CSc2ccc([N+](=O)[O-])cc2)cc1 ZINC000001845099 219420115 /nfs/dbraw/zinc/42/01/15/219420115.db2.gz FIGRAIGFYVBAMI-UHFFFAOYSA-N 0 0 357.387 4.221 50 5 FIBARN CN(C)c1cc(F)c(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] ZINC000242339067 222922433 /nfs/dbraw/zinc/92/24/33/222922433.db2.gz ZERFLGVWGQDOJQ-UHFFFAOYSA-N 0 0 372.183 4.359 50 5 FIBARN Cc1sc2ncn3nc([C@H](C)Oc4ccccc4[N+](=O)[O-])nc3c2c1C ZINC000002790168 219465275 /nfs/dbraw/zinc/46/52/75/219465275.db2.gz WXVMOTFLPIVZCI-JTQLQIEISA-N 0 0 369.406 4.004 50 5 FIBARN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000004116014 219544508 /nfs/dbraw/zinc/54/45/08/219544508.db2.gz CUTHKVUOSYYTMY-UHFFFAOYSA-N 0 0 354.193 4.220 50 5 FIBARN CCOc1ccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc32)cc1 ZINC000004420696 219575163 /nfs/dbraw/zinc/57/51/63/219575163.db2.gz CTIOOBTYDGWBGI-UHFFFAOYSA-N 0 0 354.322 4.194 50 5 FIBARN O=C(/C=C/c1cc(Br)cs1)Nc1ccccc1[N+](=O)[O-] ZINC000004506026 219581021 /nfs/dbraw/zinc/58/10/21/219581021.db2.gz CAUGLQOFVPTEOI-AATRIKPKSA-N 0 0 353.197 4.071 50 5 FIBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004575986 219587327 /nfs/dbraw/zinc/58/73/27/219587327.db2.gz SHNYEQQLGGRSGF-UHFFFAOYSA-N 0 0 371.136 4.454 50 5 FIBARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000004701747 219598656 /nfs/dbraw/zinc/59/86/56/219598656.db2.gz BQQIOCARRUEVTI-SECBINFHSA-N 0 0 355.177 4.308 50 5 FIBARN O=C(Nc1cccc(-c2cn3ccccc3n2)c1)c1ccccc1[N+](=O)[O-] ZINC000004815798 219609183 /nfs/dbraw/zinc/60/91/83/219609183.db2.gz APOFGWYKYBXKCI-UHFFFAOYSA-N 0 0 358.357 4.162 50 5 FIBARN COc1cc([C@H](O)c2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])cc1OC ZINC000004811734 219609197 /nfs/dbraw/zinc/60/91/97/219609197.db2.gz LNPSHGRRTSMRLN-OAQYLSRUSA-N 0 0 365.385 4.361 50 5 FIBARN COc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1OC(C)C ZINC000005050045 219645310 /nfs/dbraw/zinc/64/53/10/219645310.db2.gz QDVLLRPPUNMNBK-UHFFFAOYSA-N 0 0 364.785 4.296 50 5 FIBARN Cc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1C ZINC000005508592 219685727 /nfs/dbraw/zinc/68/57/27/219685727.db2.gz FBZFGXGLMPTFNK-GFCCVEGCSA-N 0 0 361.781 4.293 50 5 FIBARN Cc1cccc(C(=O)Nc2ccc(Sc3nccn3C)cc2)c1[N+](=O)[O-] ZINC000008709900 219866736 /nfs/dbraw/zinc/86/67/36/219866736.db2.gz AMIWEMOHJBHKBJ-UHFFFAOYSA-N 0 0 368.418 4.040 50 5 FIBARN Cn1ccnc1[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(F)c1 ZINC000012519900 220001716 /nfs/dbraw/zinc/00/17/16/220001716.db2.gz ZOHXGZYXYOYOCK-INIZCTEOSA-N 0 0 360.776 4.322 50 5 FIBARN O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000012538586 220005003 /nfs/dbraw/zinc/00/50/03/220005003.db2.gz HFOFABXEMUFVKX-UHFFFAOYSA-N 0 0 364.386 4.223 50 5 FIBARN O=C(NCCCn1ccc2ccccc21)c1cc([N+](=O)[O-])ccc1Cl ZINC000012608186 220013024 /nfs/dbraw/zinc/01/30/24/220013024.db2.gz KMLBMSUCUZAVBW-UHFFFAOYSA-N 0 0 357.797 4.023 50 5 FIBARN Cc1ccc([N+](=O)[O-])c(OCC(=O)N[C@@H](C)c2ccc3ccccc3c2)c1 ZINC000012932165 220043998 /nfs/dbraw/zinc/04/39/98/220043998.db2.gz BPRNZVSLHOBXMB-HNNXBMFYSA-N 0 0 364.401 4.313 50 5 FIBARN COc1ccc(Cc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OC ZINC000013009569 220052988 /nfs/dbraw/zinc/05/29/88/220052988.db2.gz RAICEZDHXFPHTB-UHFFFAOYSA-N 0 0 356.403 4.326 50 5 FIBARN Cc1sc2nc(-c3cccs3)nc(-n3cc([N+](=O)[O-])cn3)c2c1C ZINC000013008310 220053164 /nfs/dbraw/zinc/05/31/64/220053164.db2.gz ZSEQLVHHALEVER-UHFFFAOYSA-N 0 0 357.420 4.131 50 5 FIBARN Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5cccnc5)nc34)c21 ZINC000013644207 220080164 /nfs/dbraw/zinc/08/01/64/220080164.db2.gz SSQZQXWXBFTRMI-UHFFFAOYSA-N 0 0 368.372 4.195 50 5 FIBARN O=C(NCc1ccc(-c2nc3ccccc3o2)cc1)c1ccccc1[N+](=O)[O-] ZINC000013847566 220097969 /nfs/dbraw/zinc/09/79/69/220097969.db2.gz PEELXVYDRGMSRD-UHFFFAOYSA-N 0 0 373.368 4.333 50 5 FIBARN O=C(Nc1cccc2c1CCCC2)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000015315599 220151276 /nfs/dbraw/zinc/15/12/76/220151276.db2.gz XKUHALSNDLGEIO-UHFFFAOYSA-N 0 0 365.433 4.326 50 5 FIBARN COc1ccc(Nc2c(OC)cccc2[N+](=O)[O-])cc1Br ZINC000019872985 220303250 /nfs/dbraw/zinc/30/32/50/220303250.db2.gz 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COc1cc2ccc3c4c(c(OC)c(OC)c3c2cc1OC)CN(C)CC4 ZINC000263584729 571202081 /nfs/dbraw/zinc/20/20/81/571202081.db2.gz UJKNQHOSCAPFAE-UHFFFAOYSA-N 0 0 367.445 4.015 50 5 biogenic FIBARN COc1ccc2cc(C(=O)O[C@@H](C)c3cccc([N+](=O)[O-])c3)c(C)nc2c1 ZINC000023080132 571205795 /nfs/dbraw/zinc/20/57/95/571205795.db2.gz IUYYYPHLZGTJFB-ZDUSSCGKSA-N 0 0 366.373 4.378 50 5 FIBARN O=c1c(Cl)c(Cl)cnn1Cc1nc2ccccc2c2ccccc21 ZINC000006589555 571210783 /nfs/dbraw/zinc/21/07/83/571210783.db2.gz NFLBLHHOKZBFFZ-UHFFFAOYSA-N 0 0 356.212 4.300 50 5 FIBARN CSc1ccc2cc(Cn3nc(C)c([N+](=O)[O-])c3C)c(Cl)nc2c1 ZINC000006589708 571211208 /nfs/dbraw/zinc/21/12/08/571211208.db2.gz JDXXZDOCHQDQFO-UHFFFAOYSA-N 0 0 362.842 4.380 50 5 FIBARN O=C1OC(c2cccc(Cl)c2)=N/C1=C/C=C\c1ccccc1[N+](=O)[O-] ZINC000033340986 571236580 /nfs/dbraw/zinc/23/65/80/571236580.db2.gz FHEMEBNQIKAHEJ-SYBIFWDYSA-N 0 0 354.749 4.149 50 5 FIBARN Cc1ccc(NC(=O)CSCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000004808879 571237120 /nfs/dbraw/zinc/23/71/20/571237120.db2.gz WZGWXHVYEQTDRG-UHFFFAOYSA-N 0 0 350.827 4.429 50 5 FIBARN COc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1OC(F)F ZINC000006641898 571238379 /nfs/dbraw/zinc/23/83/79/571238379.db2.gz OHDJDDXOZDNVGW-UHFFFAOYSA-N 0 0 372.711 4.111 50 5 FIBARN Cc1nc(-c2cccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)c2)oc1C ZINC000006825258 571248380 /nfs/dbraw/zinc/24/83/80/571248380.db2.gz QDLSWHLQQSXMQL-UHFFFAOYSA-N 0 0 351.362 4.048 50 5 FIBARN COc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000006995298 571256587 /nfs/dbraw/zinc/25/65/87/571256587.db2.gz XSIPWAXYHSVAHJ-HXUWFJFHSA-N 0 0 362.385 4.123 50 5 FIBARN CC(C)(C)N(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)N1CCCCC1 ZINC000010254423 571270310 /nfs/dbraw/zinc/27/03/10/571270310.db2.gz FPECHFWRJYBBNM-UHFFFAOYSA-N 0 0 367.833 4.095 50 5 FIBARN Cc1c(NC(=O)CSCc2ccccc2Cl)cccc1[N+](=O)[O-] ZINC000002852806 571280030 /nfs/dbraw/zinc/28/00/30/571280030.db2.gz JDOMQNMJBNPTAN-UHFFFAOYSA-N 0 0 350.827 4.429 50 5 FIBARN Cc1cccc(C(=O)Oc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000002162648 571281797 /nfs/dbraw/zinc/28/17/97/571281797.db2.gz ZFEOCWNUCMXYEK-UHFFFAOYSA-N 0 0 370.239 4.049 50 5 FIBARN CCCCn1c2ncn(C3CCCC3)c(=O)c2c2nc3ccccc3nc21 ZINC000002246321 571293722 /nfs/dbraw/zinc/29/37/22/571293722.db2.gz ROGGQUFATGQFMP-UHFFFAOYSA-N 0 0 361.449 4.210 50 5 FIBARN Cn1c(=O)c([N+](=O)[O-])c(Nc2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000009300818 571321106 /nfs/dbraw/zinc/32/11/06/571321106.db2.gz DHNANYULSYRAAK-UHFFFAOYSA-N 0 0 363.295 4.209 50 5 FIBARN CCCc1nc2sc3ccccc3c(=O)c2c(=O)n1-c1ccc(F)cc1 ZINC000002439705 571322326 /nfs/dbraw/zinc/32/23/26/571322326.db2.gz ZSSIULNDZHOIJX-UHFFFAOYSA-N 0 0 366.417 4.052 50 5 FIBARN CCCN(C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)C1CC1 ZINC000095349777 571328844 /nfs/dbraw/zinc/32/88/44/571328844.db2.gz LDNLTUXNCQHCLZ-AWEZNQCLSA-N 0 0 368.437 4.178 50 5 FIBARN C[C@H](c1cccnc1)N(C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000095400381 571329312 /nfs/dbraw/zinc/32/93/12/571329312.db2.gz FXFWIAWVJVSQCX-LLVKDONJSA-N 0 0 360.801 4.401 50 5 FIBARN C[C@@H]1CCCCN1c1ccc(-c2nc(-c3cccnc3)no2)cc1[N+](=O)[O-] ZINC000020897845 571331898 /nfs/dbraw/zinc/33/18/98/571331898.db2.gz JHXMIWVUMDHJHT-CYBMUJFWSA-N 0 0 365.393 4.086 50 5 FIBARN CC1CCN(c2ccc(-c3nc(-c4ccco4)no3)cc2[N+](=O)[O-])CC1 ZINC000020898097 571331907 /nfs/dbraw/zinc/33/19/07/571331907.db2.gz FLFQCZLCINPXQV-UHFFFAOYSA-N 0 0 354.366 4.141 50 5 FIBARN Cc1cc(N[C@H]2CCO[C@@H](CC(C)C)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000095990656 571333564 /nfs/dbraw/zinc/33/35/64/571333564.db2.gz RDQBILJEWWVROC-WMZOPIPTSA-N 0 0 370.453 4.366 50 5 FIBARN Cc1n[nH]c(C)c1Sc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003220757 571345661 /nfs/dbraw/zinc/34/56/61/571345661.db2.gz XONFRAKHBYHVES-UHFFFAOYSA-N 0 0 368.418 4.338 50 5 FIBARN O=[N+]([O-])c1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1Cl ZINC000003285103 571346665 /nfs/dbraw/zinc/34/66/65/571346665.db2.gz BUWLOGUXHAFOSV-UHFFFAOYSA-N 0 0 362.794 4.202 50 5 FIBARN Cc1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c(C)n1Cc1ccccn1 ZINC000030585706 571346709 /nfs/dbraw/zinc/34/67/09/571346709.db2.gz BOBVUIDFEAKARL-UHFFFAOYSA-N 0 0 364.405 4.017 50 5 FIBARN CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)c1ccc([N+](=O)[O-])o1 ZINC000003289649 571346727 /nfs/dbraw/zinc/34/67/27/571346727.db2.gz RVFOYUGCQDKCAL-UHFFFAOYSA-N 0 0 374.393 4.230 50 5 FIBARN Cc1nn(CC(=O)OCc2c(C)cc(C(C)(C)C)cc2C)c(C)c1[N+](=O)[O-] ZINC000003441260 571349818 /nfs/dbraw/zinc/34/98/18/571349818.db2.gz DEKJCDALBDFZPJ-UHFFFAOYSA-N 0 0 373.453 4.066 50 5 FIBARN COc1ccc(-c2nc(NC(=O)c3ccccc3[N+](=O)[O-])sc2C)cc1 ZINC000003554297 571351055 /nfs/dbraw/zinc/35/10/55/571351055.db2.gz YAXSPJJWWVECBO-UHFFFAOYSA-N 0 0 369.402 4.288 50 5 FIBARN Cc1nc2ccc3nc(NC(=O)c4cccc([N+](=O)[O-])c4)sc3c2s1 ZINC000004031614 571354269 /nfs/dbraw/zinc/35/42/69/571354269.db2.gz LEWHFWJCRXQHGC-UHFFFAOYSA-N 0 0 370.415 4.375 50 5 FIBARN CCCCOc1ccc(/C=C/C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000004056326 571354506 /nfs/dbraw/zinc/35/45/06/571354506.db2.gz JLFUUGGFPSUCSL-KPKJPENVSA-N 0 0 370.405 4.434 50 5 FIBARN CC(=O)c1ccc(NCCc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000008051086 571358730 /nfs/dbraw/zinc/35/87/30/571358730.db2.gz STIGRAKGFVMCHF-UHFFFAOYSA-N 0 0 352.312 4.471 50 5 FIBARN CC(=O)c1ccc(N(C)Cc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000008051664 571358745 /nfs/dbraw/zinc/35/87/45/571358745.db2.gz OODXGJMFTNWRNU-UHFFFAOYSA-N 0 0 352.312 4.453 50 5 FIBARN CCN(CCO)c1ccc(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000005047894 1086493377 /nfs/dbraw/zinc/49/33/77/1086493377.db2.gz ABOGPNRNMAPAJG-UHFFFAOYSA-N 0 0 369.343 4.176 50 5 FIBARN COc1ccc2c(c1)oc1nc(CC(C)C)n3c4ccccc4nc3c1c2=O ZINC000005208399 1087606187 /nfs/dbraw/zinc/60/61/87/1087606187.db2.gz ZAEZDOZRJMYJRX-UHFFFAOYSA-N 0 0 373.412 4.349 50 5 FIBARN CCOC(=O)/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccn1 ZINC000170605419 1115738333 /nfs/dbraw/zinc/73/83/33/1115738333.db2.gz UGZGKCVXZUGJHX-GHRIWEEISA-N 0 0 364.357 4.354 50 5 FIBARN COc1cc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(OC)cc1Cl ZINC000000669478 219311581 /nfs/dbraw/zinc/31/15/81/219311581.db2.gz BEXNBSQISKRNSO-UHFFFAOYSA-N 0 0 371.176 4.171 50 5 FIBARN COc1cc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(OC)cc1Cl ZINC000000834094 219328960 /nfs/dbraw/zinc/32/89/60/219328960.db2.gz KVNJGTLKUIKLTE-UHFFFAOYSA-N 0 0 371.176 4.171 50 5 FIBARN O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000000888014 219336288 /nfs/dbraw/zinc/33/62/88/219336288.db2.gz PEKWJGUQPDVFNH-UHFFFAOYSA-N 0 0 354.387 4.063 50 5 FIBARN O=c1oc2cc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)cc2c2c1CCC2 ZINC000000944043 219344550 /nfs/dbraw/zinc/34/45/50/219344550.db2.gz REJDRTRWHDAQNM-UHFFFAOYSA-N 0 0 371.776 4.422 50 5 FIBARN CCC(C)(C)c1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000001005743 219353108 /nfs/dbraw/zinc/35/31/08/219353108.db2.gz HGWKJNHFYWONKX-UHFFFAOYSA-N 0 0 354.819 4.040 50 5 FIBARN O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccc([N+](=O)[O-])cc1 ZINC000001024566 219354102 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COc1ccc2c3ccc(OC(=O)C4CCCCC4)cc3oc(=O)c2c1 ZINC000001154949 219382366 /nfs/dbraw/zinc/38/23/66/219382366.db2.gz UNRHLQSGWNLTFI-UHFFFAOYSA-N 0 0 352.386 4.441 50 5 FIBARN Cc1c(C(=O)Nc2ccc(-c3nc4cccnc4o3)cc2)cccc1[N+](=O)[O-] ZINC000001169753 219384939 /nfs/dbraw/zinc/38/49/39/219384939.db2.gz GJQUQOHYNFXHIV-UHFFFAOYSA-N 0 0 374.356 4.359 50 5 FIBARN CCOc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000001510136 219408760 /nfs/dbraw/zinc/40/87/60/219408760.db2.gz NBCAYEKHCBMRCF-UHFFFAOYSA-N 0 0 369.402 4.369 50 5 FIBARN CC(=O)c1ccc(N=c2oc3ccc4ccccc4c3cc2C(N)=O)cc1 ZINC000002474272 219446398 /nfs/dbraw/zinc/44/63/98/219446398.db2.gz TZLZMUOTJSGZJC-GYHWCHFESA-N 0 0 356.381 4.120 50 5 FIBARN CCOc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1OCC ZINC000003431027 219509485 /nfs/dbraw/zinc/50/94/85/219509485.db2.gz WVHRXMVVRALZKM-CQSZACIVSA-N 0 0 372.421 4.192 50 5 FIBARN CN(c1ccccc1)c1cc(N2CCCCCC2)c2nonc2c1[N+](=O)[O-] ZINC000003904301 219529718 /nfs/dbraw/zinc/52/97/18/219529718.db2.gz HTTAXXNHRMYUND-UHFFFAOYSA-N 0 0 367.409 4.279 50 5 FIBARN COc1ccc(Br)cc1CNc1ccc([N+](=O)[O-])cc1C ZINC000004309318 219564174 /nfs/dbraw/zinc/56/41/74/219564174.db2.gz ZMCOVXGPTAAFRX-UHFFFAOYSA-N 0 0 351.200 4.286 50 5 FIBARN O=C(NCCCNc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 ZINC000004689117 219595077 /nfs/dbraw/zinc/59/50/77/219595077.db2.gz BYGDZDQFTUDSIN-UHFFFAOYSA-N 0 0 368.220 4.134 50 5 FIBARN Cc1nn(Cc2cn(-c3ccccc3)nc2-c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000005346678 219672999 /nfs/dbraw/zinc/67/29/99/219672999.db2.gz MCBTXBGKCYQGPL-UHFFFAOYSA-N 0 0 373.416 4.309 50 5 FIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)Cc1csc(-c2ccccc2)n1 ZINC000008844209 219870253 /nfs/dbraw/zinc/87/02/53/219870253.db2.gz AABXYOREAISBKD-UHFFFAOYSA-N 0 0 353.403 4.208 50 5 FIBARN COc1ccc([N+](=O)[O-])cc1COC(=O)c1cccc(Cl)c1Cl ZINC000011029710 219913500 /nfs/dbraw/zinc/91/35/00/219913500.db2.gz GJQQAMVVYPQTNK-UHFFFAOYSA-N 0 0 356.161 4.267 50 5 FIBARN CC(C)C[C@@H](C)N(C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000012545044 220005969 /nfs/dbraw/zinc/00/59/69/220005969.db2.gz QDOWFFFZXYKIPG-MRXNPFEDSA-N 0 0 350.462 4.048 50 5 FIBARN C[C@@H](Sc1nnc(Cc2ccccc2)n1C)c1cccc([N+](=O)[O-])c1 ZINC000012686500 220017799 /nfs/dbraw/zinc/01/77/99/220017799.db2.gz STUXBWWWJSTHAW-CYBMUJFWSA-N 0 0 354.435 4.167 50 5 FIBARN O=C(Nc1nc2c(s1)CCCCC2)c1ccc([N+](=O)[O-])cc1Cl ZINC000012755404 220025148 /nfs/dbraw/zinc/02/51/48/220025148.db2.gz PBODGHKZSOQFSQ-UHFFFAOYSA-N 0 0 351.815 4.226 50 5 FIBARN O=c1c([N+](=O)[O-])c(Oc2ccc(-c3ccccc3)cc2)nc2ccccn21 ZINC000012901034 220040319 /nfs/dbraw/zinc/04/03/19/220040319.db2.gz VKJCTAXLRQQCKL-UHFFFAOYSA-N 0 0 359.341 4.062 50 5 FIBARN O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000015697174 220162151 /nfs/dbraw/zinc/16/21/51/220162151.db2.gz OZYDPRITGRPIDT-CQSZACIVSA-N 0 0 367.430 4.224 50 5 FIBARN COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000016470971 220185459 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CC(C)C[C@@H](C)n1nccc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000036395594 220819681 /nfs/dbraw/zinc/81/96/81/220819681.db2.gz WESPZBGPIGXUKQ-CYBMUJFWSA-N 0 0 362.455 4.129 50 5 FIBARN Cc1nnc(SCc2cccc([N+](=O)[O-])c2C)n1Cc1ccccc1 ZINC000040127344 220885464 /nfs/dbraw/zinc/88/54/64/220885464.db2.gz CITROHBVDNKOEV-UHFFFAOYSA-N 0 0 354.435 4.144 50 5 FIBARN Cc1c(F)cc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)cc1[N+](=O)[O-] ZINC000040141998 220888183 /nfs/dbraw/zinc/88/81/83/220888183.db2.gz ANQUWRYOWCKLHO-UHFFFAOYSA-N 0 0 355.325 4.313 50 5 FIBARN O=c1nc(-c2ccc([N+](=O)[O-])cc2)[nH]c2scc(-c3ccc(F)cc3)c21 ZINC000055492390 221070245 /nfs/dbraw/zinc/07/02/45/221070245.db2.gz HFAJHRONNDGPHW-UHFFFAOYSA-N 0 0 367.361 4.366 50 5 FIBARN O=C(Nc1ccc(Cl)cc1)[C@@H](c1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000057388503 221087261 /nfs/dbraw/zinc/08/72/61/221087261.db2.gz VKRIZZKYOXPAMH-QGZVFWFLSA-N 0 0 359.813 4.024 50 5 FIBARN CC(C)(C)C(=O)N1CCC(Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000057138749 221084051 /nfs/dbraw/zinc/08/40/51/221084051.db2.gz YZJGXEDOISIBJP-UHFFFAOYSA-N 0 0 373.375 4.063 50 5 FIBARN Cc1cccc(C(=O)Nc2ccccc2OC[C@@H]2CCCCO2)c1[N+](=O)[O-] ZINC000057369148 221087033 /nfs/dbraw/zinc/08/70/33/221087033.db2.gz BRBGLQAKPQCOSV-HNNXBMFYSA-N 0 0 370.405 4.103 50 5 FIBARN CCCN(Cn1ncc2cc([N+](=O)[O-])ccc21)[C@@H]1CCc2ccccc21 ZINC000058162800 221100885 /nfs/dbraw/zinc/10/08/85/221100885.db2.gz NHQQWXODDYLIFC-HXUWFJFHSA-N 0 0 350.422 4.302 50 5 FIBARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000060517452 221132216 /nfs/dbraw/zinc/13/22/16/221132216.db2.gz HERSQHJKBBYKDO-UHFFFAOYSA-N 0 0 374.759 4.134 50 5 FIBARN C[C@@H](Sc1ncc([N+](=O)[O-])c(NC2CC2)n1)c1c(F)cccc1F ZINC000063267130 221142244 /nfs/dbraw/zinc/14/22/44/221142244.db2.gz MXOKQIPNSDTXEP-MRVPVSSYSA-N 0 0 352.366 4.091 50 5 FIBARN O=C(Nc1cccc(N2CCCCC2=O)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000005441693 132257937 /nfs/dbraw/zinc/25/79/37/132257937.db2.gz ZELFTPAMKMIUCJ-UHFFFAOYSA-N 0 0 373.796 4.017 50 5 FIBARN O=C(Nc1cccc(Cl)c1N1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000001063533 132379857 /nfs/dbraw/zinc/37/98/57/132379857.db2.gz QIMOGJOAGMAAFJ-UHFFFAOYSA-N 0 0 359.813 4.491 50 5 FIBARN O=[N+]([O-])c1ccc(N2CCOCC2)cc1Sc1cccc2cccnc21 ZINC000004117139 132386449 /nfs/dbraw/zinc/38/64/49/132386449.db2.gz AZBIQQHTTHQUND-UHFFFAOYSA-N 0 0 367.430 4.131 50 5 FIBARN O=C(Nc1cccc(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000004755308 132824535 /nfs/dbraw/zinc/82/45/35/132824535.db2.gz GIOIEIIZLAEVID-UHFFFAOYSA-N 0 0 359.813 4.491 50 5 FIBARN O=[N+]([O-])c1ccc(Cl)cc1CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000055543604 136127053 /nfs/dbraw/zinc/12/70/53/136127053.db2.gz BBYRHQAAPQZIAR-UHFFFAOYSA-N 0 0 366.248 4.224 50 5 FIBARN O=[N+]([O-])c1ccccc1N1CCN(c2ncc(-c3ccccc3)s2)CC1 ZINC000072307763 136144057 /nfs/dbraw/zinc/14/40/57/136144057.db2.gz NEAGYWOKXACFRA-UHFFFAOYSA-N 0 0 366.446 4.045 50 5 FIBARN CNc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2)cc1[N+](=O)[O-] ZINC000028911033 136153491 /nfs/dbraw/zinc/15/34/91/136153491.db2.gz 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O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](C(F)(F)F)C1 ZINC000010286167 263364541 /nfs/dbraw/zinc/36/45/41/263364541.db2.gz ODLCCWFKPIUSET-LBPRGKRZSA-N 0 0 368.311 4.269 50 5 FIBARN O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C\c1ccc(Cl)cc1Cl ZINC000004692997 518202618 /nfs/dbraw/zinc/20/26/18/518202618.db2.gz MWGJFSNJLVRHBX-AUWJEWJLSA-N 0 0 363.156 4.246 50 5 FIBARN COc1cc(-c2c3c[nH]nc3nc3c4ccc(O)c(C)c4oc32)ccc1O ZINC000218259636 568224995 /nfs/dbraw/zinc/22/49/95/568224995.db2.gz JLLMXUIZPCSRIU-UHFFFAOYSA-N 0 0 361.357 4.253 50 5 FIBARN Cc1ccc([C@@H]2OCCC[C@@H]2Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000072307310 570519551 /nfs/dbraw/zinc/51/95/51/570519551.db2.gz WVFYLLSWJMGUFZ-WMZOPIPTSA-N 0 0 357.366 4.144 50 5 FIBARN Cc1ccc([C@@H]2OCCC[C@H]2Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000072307308 570519595 /nfs/dbraw/zinc/51/95/95/570519595.db2.gz WVFYLLSWJMGUFZ-AEFFLSMTSA-N 0 0 357.366 4.144 50 5 FIBARN O=[N+]([O-])c1ccc(Sc2nc3c(n2-c2ccccc2)CCCC3)nc1 ZINC000023609267 570542240 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CC(=O)NC(=O)c1cc2c(ccc3ccccc32)o/c1=N\c1ccccc1 ZINC000005175287 570628895 /nfs/dbraw/zinc/62/88/95/570628895.db2.gz ZPDCDDNXYIKPJL-GYHWCHFESA-N 0 0 356.381 4.095 50 5 FIBARN O=C(/C=C/c1ccc(Cl)cc1)Nc1cc2cccc([N+](=O)[O-])c2oc1=O ZINC000005177367 570629087 /nfs/dbraw/zinc/62/90/87/570629087.db2.gz CZSWMUNRFIZQPU-RMKNXTFCSA-N 0 0 370.748 4.007 50 5 FIBARN CSc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])s3)sc2c1 ZINC000005299109 570646453 /nfs/dbraw/zinc/64/64/53/570646453.db2.gz JLKMKPYDMBDZKK-UHFFFAOYSA-N 0 0 351.434 4.240 50 5 FIBARN COc1ccc2c3ccc(OC(=O)c4ccco4)c(C)c3oc(=O)c2c1 ZINC000005548495 570668446 /nfs/dbraw/zinc/66/84/46/570668446.db2.gz HDSDPWVPTZSCOE-UHFFFAOYSA-N 0 0 350.326 4.075 50 5 FIBARN O=C(COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)s1 ZINC000005672091 570806720 /nfs/dbraw/zinc/80/67/20/570806720.db2.gz BDBWNTKFEIHIOA-UHFFFAOYSA-N 0 0 360.174 4.003 50 5 FIBARN COc1cc([C@H](C)NC(=O)c2ccccc2[N+](=O)[O-])ccc1OCC(C)C ZINC000032830925 570818739 /nfs/dbraw/zinc/81/87/39/570818739.db2.gz 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ZINC000008393135 571044079 /nfs/dbraw/zinc/04/40/79/571044079.db2.gz HELVMCQQGGHAJT-UHFFFAOYSA-N 0 0 369.431 4.053 50 5 FIBARN O=C(Nc1ccc(-c2nc[nH]n2)cc1)c1cc2ccccc2c2cccnc12 ZINC000225557993 571045656 /nfs/dbraw/zinc/04/56/56/571045656.db2.gz UDQNUYFGQSUZDC-UHFFFAOYSA-N 0 0 365.396 4.425 50 5 FIBARN C[C@H](Oc1cc(O)c2c(c1)oc1ccccc1c2=O)C(=O)c1ccccc1 ZINC000008488813 571048386 /nfs/dbraw/zinc/04/83/86/571048386.db2.gz VYCRPVANARMKGG-ZDUSSCGKSA-N 0 0 360.365 4.302 50 5 biogenic FIBARN Cc1ccc(OCC(=O)N[C@H](C)c2cccc3ccccc32)c([N+](=O)[O-])c1 ZINC000008506284 571049012 /nfs/dbraw/zinc/04/90/12/571049012.db2.gz HVJQIKACFUVLTQ-OAHLLOKOSA-N 0 0 364.401 4.313 50 5 FIBARN Cc1ccc(C(=O)COc2cc(O)c3c(c2)oc2ccccc2c3=O)cc1 ZINC000008491810 571049116 /nfs/dbraw/zinc/04/91/16/571049116.db2.gz HZHMMZSVKYTRGA-UHFFFAOYSA-N 0 0 360.365 4.222 50 5 biogenic FIBARN Cc1cc(Br)ccc1NC(=S)Nc1cccc([N+](=O)[O-])c1 ZINC000008682705 571054723 /nfs/dbraw/zinc/05/47/23/571054723.db2.gz AJXCIKXVESDLER-UHFFFAOYSA-N 0 0 366.240 4.475 50 5 FIBARN CC(C)n1ccnc1S[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000008720067 571057366 /nfs/dbraw/zinc/05/73/66/571057366.db2.gz MATFDIYFVSPFCZ-JTQLQIEISA-N 0 0 368.846 4.145 50 5 FIBARN Cc1c(CSc2nc3ccccc3c(=O)n2C(C)C)cccc1[N+](=O)[O-] ZINC000040127316 571081353 /nfs/dbraw/zinc/08/13/53/571081353.db2.gz OQUDYAHATFFRTG-UHFFFAOYSA-N 0 0 369.446 4.486 50 5 FIBARN Cc1nc(-c2ccc(CCNC(=O)c3cccc([N+](=O)[O-])c3)s2)cs1 ZINC000012396562 571085206 /nfs/dbraw/zinc/08/52/06/571085206.db2.gz BRDYXJWDFLGGPP-UHFFFAOYSA-N 0 0 373.459 4.061 50 5 FIBARN C[C@H](c1ccccc1Cl)N(CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000040149517 571085523 /nfs/dbraw/zinc/08/55/23/571085523.db2.gz KBGCMBWSDQCLJS-CYBMUJFWSA-N 0 0 373.840 4.412 50 5 FIBARN Fc1ccc2c(c1)c1nc3ccccc3nc1n2CCC1OCCCO1 ZINC000009419687 571108375 /nfs/dbraw/zinc/10/83/75/571108375.db2.gz SYQOTNQIPFZVTC-UHFFFAOYSA-N 0 0 351.381 4.030 50 5 FIBARN CCc1cccc(CC)c1NC(=O)CN(C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000009691874 571117488 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