smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(C)(C)c1csc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)n1 316689 JJFSHBCNGCBLDI-UHFFFAOYSA-N 339.804 4.255 5 50 EIBA CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1Cl 451369 RJSJWICKNDQBQC-UHFFFAOYSA-N 338.722 4.038 5 50 EIBA O=c1c2ccccc2c(=O)c2c1c(O)cc1sc3ccccc3[nH]c12 3898658 RWFQFVVYCOIUAI-UHFFFAOYSA-N 345.379 4.115 5 50 EIBA COc1ccc(NC(=S)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 4619765 XXXWUUVFJXMCBW-UHFFFAOYSA-N 337.788 4.066 5 50 EIBA Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(C(C)(C)C)cc1 101089 JSWCSPNNZOQHNN-UHFFFAOYSA-N 342.395 4.218 5 50 EIBA CCCC[C@H](OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(C)(C)C 4824512 BGCOEMGTRKPPQQ-AWEZNQCLSA-N 338.360 4.265 5 50 EIBA O=C(Nc1cc([N+](=O)[O-])ccc1F)Oc1ccc(F)cc1Cl 2173629 VKAQVCIMRDDMMB-UHFFFAOYSA-N 328.658 4.137 5 50 EIBA Cc1ccc(N2C(=O)S/C(=C/c3ccc([N+](=O)[O-])cc3)C2=O)cc1 4471701 WOAOYPDMUDROIA-XNTDXEJSSA-N 340.360 4.144 5 50 EIBA Cc1cc2sc(NC(=O)c3ccc([N+](=O)[O-])o3)nc2cc1Cl 4842900 OEENCIPZRKHIPE-UHFFFAOYSA-N 337.744 4.012 5 50 EIBA Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)c([N+](=O)[O-])c1 4903206 XNSDTRRRVLPDDJ-GFCCVEGCSA-N 348.786 4.271 5 50 EIBA CC[C@H](C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccccc1 8974731 WZXDNFXMAGVNMM-ZDUSSCGKSA-N 341.392 4.337 5 50 EIBA CCCCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 2895959 CWELMLQZPOLURZ-UHFFFAOYSA-N 328.368 4.334 5 50 EIBA Cc1cccc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 4668163 FRXFWVGEKZGECZ-UHFFFAOYSA-N 339.395 4.146 5 50 EIBA CC(C)(C)C1CCC(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 4007750 DCKVXELFNDRJRN-UHFFFAOYSA-N 345.487 4.322 5 50 EIBA Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1[N+](=O)[O-] 134977 RPEJBBMOXVIEOT-UHFFFAOYSA-N 339.395 4.146 5 50 EIBA COc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 4844627 WJZXVIOMZCMVNF-UHFFFAOYSA-N 341.150 4.163 5 50 EIBA N=c1oc2ccc3ccccc3c2cc1C(=O)Nc1ccc(F)cc1 17068211 STCKZTBQLHCWBL-UHFFFAOYSA-N 332.334 4.457 5 50 EIBA O=C(NC1CCCCC1)c1cc([N+](=O)[O-])ccc1N1CCCCCC1 5050398 HNGGIEYEORMSTL-UHFFFAOYSA-N 345.443 4.038 5 50 EIBA Cc1ccc(-c2csc(NC(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 43039 CNZKCAOEYCTGLC-UHFFFAOYSA-N 339.376 4.279 5 50 EIBA O=C(Nc1cccc2ncccc12)c1cc([N+](=O)[O-])ccc1Cl 521394 DWMHVXAMNPTZAD-UHFFFAOYSA-N 327.727 4.049 5 50 EIBA O=[N+]([O-])c1ccc(SCCSc2ccc([N+](=O)[O-])cc2)cc1 2495690 VKPWHSPOXMGOCD-UHFFFAOYSA-N 336.394 4.387 5 50 EIBA Cc1ccc(C)c([C@H](C)NC(=S)Nc2ccc([N+](=O)[O-])cc2)c1 5041608 LCIVHEQUBWVYRD-ZDUSSCGKSA-N 329.425 4.259 5 50 EIBA O=[N+]([O-])c1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC1Cc2ccccc2C1 22077806 KINHDORMEGACQR-FQEVSTJZSA-N 347.418 4.211 5 50 EIBA O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cccc(Cl)c1Cl 318600 ZRRLRMAHNLNXBA-UHFFFAOYSA-N 329.114 4.293 5 50 EIBA CC[C@@H]1C=C(c2ccc([N+](=O)[O-])cc2)O[C@H](N2CCCCC2)[C@@H]1C 55178336 UKBFXKYZXNIXTF-CLCXKQKWSA-N 330.428 4.440 5 50 EIBA Cc1ccc(C(=O)Nc2ccccc2N2CCCCC2)cc1[N+](=O)[O-] 2830996 YJRMCAKOTKIAOJ-UHFFFAOYSA-N 339.395 4.146 5 50 EIBA C[C@@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(F)c(F)c1 110174704 CKTQGAVWIHEFFK-MRVPVSSYSA-N 340.713 4.017 5 50 EIBA O=c1c([N+](=O)[O-])cn(-c2ccc(Cl)cc2)c2cc(Cl)ccc12 199310 PHMDZFAYJFAYAE-UHFFFAOYSA-N 335.146 4.206 5 50 EIBA O=C(Nc1cccc([N+](=O)[O-])c1)Nc1nc(-c2ccccc2)cs1 47156009 UJRJAZDAWUSWRK-UHFFFAOYSA-N 340.364 4.362 5 50 EIBA Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 370760 YBEXYMBTVLZVNO-LBPRGKRZSA-N 332.787 4.356 5 50 EIBA Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1C 475667 MSSFJRZALLUGSM-LBPRGKRZSA-N 348.786 4.271 5 50 EIBA O=[N+]([O-])c1ccc(CNCCc2ccc(Cl)cc2Cl)cc1 19720608 MNQQAJCKTASOBB-UHFFFAOYSA-N 325.195 4.234 5 50 EIBA O=C(O)/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1 25539374 AKTMQXJUFQXTAL-SFQUDFHCSA-N 335.315 4.480 5 50 EIBA O=C(c1cccc([N+](=O)[O-])c1)N1CCS[C@H]1c1ccc(Cl)cc1 431764 BBQZKQBSJOQFSM-INIZCTEOSA-N 348.811 4.136 5 50 EIBA Cc1ccc(-n2cc(-c3ccc([N+](=O)[O-])cc3)sc2=N)c(C)c1 4531058 LTOQRVWTZSADCQ-UHFFFAOYSA-N 325.393 4.210 5 50 EIBA O=C(Cc1ccc(Cl)cc1)Nc1ccc(Cl)cc1[N+](=O)[O-] 4844993 FJZNIVCGUNZAAG-UHFFFAOYSA-N 325.151 4.083 5 50 EIBA Cc1ccc(OC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 4845992 OWNCUXDAKYXIIG-UHFFFAOYSA-N 340.379 4.113 5 50 EIBA O=[N+]([O-])c1ccc(C2=NNC(c3ccccc3)=Nc3ccccc32)cc1 3173917 CMZBNEHFWHLVCN-UHFFFAOYSA-N 342.358 4.029 5 50 EIBA Cc1ccc(Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1Cl 66251730 JYCNWQGNEJYDQS-UHFFFAOYSA-N 330.731 4.350 5 50 EIBA in-vitro Cc1nn2cc(-c3cccc([N+](=O)[O-])c3)cc2c2c(C)n(C)c(C)c12 4820512 OOUKMONNBQCIKS-UHFFFAOYSA-N 334.379 4.326 5 50 EIBA O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@H]1/C=C/c1cccs1 373403993 ARWHFGFPZRHZSB-FYJFLYSWSA-N 334.422 4.036 5 50 EIBA COc1ccccc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 272951 HGJIUARHUZQCBI-UHFFFAOYSA-N 338.319 4.116 5 50 EIBA CC[C@H](C)c1ccccc1NC(=O)COc1ccccc1[N+](=O)[O-] 464137 BQOAGZUZRVRMSN-ZDUSSCGKSA-N 328.368 4.126 5 50 EIBA O=C(O[C@@H]1C[C@]23CC=CC[C@@]12CCCC3)c1ccc([N+](=O)[O-])cc1 45027838 GHVXUURYWQXWHI-BHIYHBOVSA-N 327.380 4.421 5 50 EIBA O=C(O)c1sccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 2557507 VLWAWQJWGRQJFG-UHFFFAOYSA-N 333.243 4.166 5 50 EIBA Cc1c(Cl)ccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1Cl 471710 ULBIMSNMEUNNHH-UHFFFAOYSA-N 325.151 4.462 5 50 EIBA Cc1cc(C)c(C(=O)OC[C@H]2CCC[N@+]3(C)CCCC[C@@H]23)cc1C 252441137 HXRDLTAYKDJZSA-CBQOVEMMSA-N 330.492 4.178 5 50 EIBA COc1ccc2c(=O)c(Oc3ccc([N+](=O)[O-])cc3)c(C)oc2c1C 86750 PXYAEBFOPFMNOZ-UHFFFAOYSA-N 341.319 4.119 5 50 EIBA O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cccc(Cl)c1Cl 450202 OWZJAVCUQXABNA-UHFFFAOYSA-N 329.114 4.293 5 50 EIBA Cc1cc(-c2noc(-c3cccc([N+](=O)[O-])c3)n2)c2ccccc2n1 1423712 NIPQFZUQHLWISL-UHFFFAOYSA-N 332.319 4.168 5 50 EIBA COc1cccc(OCCCOc2ccc([N+](=O)[O-])cc2Cl)c1 2983967 NOGRNLKNLYEZMO-UHFFFAOYSA-N 337.759 4.105 5 50 EIBA Cc1cc(C(=O)NCc2ccc(Cl)c(Cl)c2)ccc1[N+](=O)[O-] 475362 JCMWSZQALWYLJS-UHFFFAOYSA-N 339.178 4.140 5 50 EIBA O=[N+]([O-])c1cccc(-c2nnc(-c3ccccc3Br)o2)c1 4754428 LBHUJXROROPFHC-UHFFFAOYSA-N 346.140 4.074 5 50 EIBA Cc1c(Br)ccc(NC(=O)c2ccccc2[N+](=O)[O-])c1C 465783 JAUUBHGQJHKAMG-UHFFFAOYSA-N 349.184 4.226 5 50 EIBA Cc1ccccc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 4841454 OPBZAEPHVKPYTE-UHFFFAOYSA-N 339.376 4.279 5 50 EIBA CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 4694366 JODYQKONKBKISJ-UHFFFAOYSA-N 334.759 4.044 5 50 EIBA C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 2623888 LREWDYOBPTWYCV-JTQLQIEISA-N 336.800 4.368 5 50 EIBA COc1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 102991 CSXCTGADXUQBQG-UHFFFAOYSA-N 341.150 4.163 5 50 EIBA COc1ccccc1NC(=O)c1cc2c(ccc3ccccc32)oc1=O 194718 QBTJBINWILUPFD-UHFFFAOYSA-N 345.354 4.207 5 50 EIBA Cc1cc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1C(C)C 4040483 IFWUFIQZMFZRDI-UHFFFAOYSA-N 328.368 4.044 5 50 EIBA CCCCNc1ccc([N+](=O)[O-])cc1C(=O)N(CC)c1ccccc1 5064550 UAFZSOOLXHHVHT-UHFFFAOYSA-N 341.411 4.474 5 50 EIBA O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1 148700 YHUJAFJQFUXJET-UHFFFAOYSA-N 336.800 4.120 5 50 EIBA Cc1ccc(OCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 4181157 URNIAGQVUXFYIU-UHFFFAOYSA-N 340.301 4.413 5 50 EIBA aggregator COc1ccccc1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 616233 VXENAGQEDDBHDQ-UHFFFAOYSA-N 340.379 4.054 5 50 EIBA Cc1cccc(C(=O)Nc2nc3c(C)cccc3s2)c1[N+](=O)[O-] 4814278 RMSSQUDNLQTBGX-UHFFFAOYSA-N 327.365 4.074 5 50 EIBA C[N@+]1(Cc2ccccc2)OC[C@@H]2COc3ccc4ccccc4c3[C@@H]21 250858205 SCTKXQCUZBTNBI-CDNPAEQRSA-N 332.423 4.482 5 50 EIBA O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccco1 2834875 RUWJJFLXEOCASE-UHFFFAOYSA-N 339.303 4.337 5 50 EIBA Cc1cc(C)c(C(=O)OC[C@H]2CCC[N@@+]3(C)CCCC[C@@H]23)cc1C 252441138 HXRDLTAYKDJZSA-KAGYGMCKSA-N 330.492 4.178 5 50 EIBA O=[N+]([O-])c1cc(Br)c(F)cc1NCc1ccccc1 74937717 VYYWWISQACSPII-UHFFFAOYSA-N 325.137 4.109 5 50 EIBA in-vitro Cc1c(O)ccc2c1oc1c(-c3cccc(O)c3)c3cn[nH]c3nc12 218132733 RCJMMVMUGUXYIV-UHFFFAOYSA-N 331.331 4.244 5 50 EIBA O=[N+]([O-])c1ccc([C@@H]2[C@H]3C(c4ccccc4)=NC4(CCCCC4)N32)cc1 19732712 JCCUFLGXQUXPLE-VJOPYQGCSA-N 347.418 4.483 5 50 EIBA O=[N+]([O-])c1ccc2nc(CSc3nc4ccccc4s3)[nH]c2c1 5095268 CVJXGTXQPQJAIA-UHFFFAOYSA-N 342.405 4.373 5 50 EIBA O=C(NC(c1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 101781 UTBVMYNXOUHZPV-UHFFFAOYSA-N 332.359 4.114 5 50 EIBA O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccccc1C(F)(F)F 464484 ZUWWFWRLTVMYAC-MDZDMXLPSA-N 336.269 4.266 5 50 EIBA O=[N+]([O-])c1cc2ccccc2nc1Oc1ccc(-n2cccn2)cc1 473530082 XUWFIGZBORSGGX-UHFFFAOYSA-N 332.319 4.121 5 50 EIBA CCOc1ccc(NC(=S)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 13468930 TXCMBNVMHYLLGZ-UHFFFAOYSA-N 331.397 4.111 5 50 EIBA CCC1(CC)O[C@H]2c3ccc([N+](=O)[O-])cc3C(=O)N2c2ccccc21 4742803 RFQACLSHYIWOMK-SFHVURJKSA-N 338.363 4.299 5 50 EIBA O=C(O[C@@H]1C[C@@]23CC=CC[C@@]12CCCC3)c1ccc([N+](=O)[O-])cc1 45027836 GHVXUURYWQXWHI-NZSAHSFTSA-N 327.380 4.421 5 50 EIBA O=C(Oc1ccc(C2SCCS2)cc1)c1ccc([N+](=O)[O-])cc1 31527 AXVFPOKFEGCTAR-UHFFFAOYSA-N 347.417 4.293 5 50 EIBA Cc1ccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3)o2)cc1 272643 MSSGOHFIPOGHGO-UHFFFAOYSA-N 327.365 4.246 5 50 EIBA O=[N+]([O-])c1cccc(-c2nc(-c3ccc(Br)cc3)no2)c1 80652 DBJSUPPXHAHSSP-UHFFFAOYSA-N 346.140 4.074 5 50 EIBA in-vitro Cn1c(CCCCCNc2ccccc2[N+](=O)[O-])nc2ccccc21 44125433 RIIINGIUZXMCDY-UHFFFAOYSA-N 338.411 4.306 5 50 EIBA O=[N+]([O-])c1cccc(-c2noc(-c3cccc(Br)c3)n2)c1 2822279 RBPINWYAUZUTRR-UHFFFAOYSA-N 346.140 4.074 5 50 EIBA CCCCc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 5421549 AMVRKQVCCKISGO-UHFFFAOYSA-N 343.339 4.098 5 50 EIBA COc1ccc(C(=O)Nc2ccc3c4c(cccc24)CC3)cc1[N+](=O)[O-] 858843 FPEMHFSGJXUXAN-UHFFFAOYSA-N 348.358 4.108 5 50 EIBA COc1ccc2c(c1[N+](=O)[O-])CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@H]12 166925217 QDFCXLJPTBSDPF-XXZHDZSNSA-N 329.396 4.029 5 50 EIBA O=C(Nc1nc(-c2cccs2)cs1)c1ccc([N+](=O)[O-])cc1 16974586 JQQDXBXQCLURCE-UHFFFAOYSA-N 331.378 4.032 5 50 EIBA C[C@H](NCc1ccccc1[N+](=O)[O-])c1cccc(N2CCCC2)c1 181882974 LRVBYOUAKYJLKW-HNNXBMFYSA-N 325.412 4.046 5 50 EIBA O=C(c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)N1CCCCCC1 2881620 KAZDJDMKBIJSQB-UHFFFAOYSA-N 340.379 4.403 5 50 EIBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccccc1C(F)(F)F 63852 DZVMDQBJHLJOPC-CMDGGOBGSA-N 336.269 4.266 5 50 EIBA CCN(CC)c1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 134973 BSIWXRYPAUANEF-UHFFFAOYSA-N 327.384 4.002 5 50 EIBA Cc1nc2ccc(Cl)cc2c2c(N)c3ccc([N+](=O)[O-])cc3n12 287085 VHSOBESFVKZROH-UHFFFAOYSA-N 326.743 4.093 5 50 EIBA O=C(Nc1nc2c(Cl)cccc2s1)c1ccc([N+](=O)[O-])cc1 567022 OBMZVKLPMZQXMU-UHFFFAOYSA-N 333.756 4.110 5 50 EIBA Cc1cccc(Cl)c1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 102849 NHGJPTMMEJEPOP-UHFFFAOYSA-N 325.151 4.462 5 50 EIBA Cc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1[N+](=O)[O-] 266733 GYZIJDSQMMANKN-UHFFFAOYSA-N 347.374 4.141 5 50 EIBA CCN(CC)c1ccc2nc3ccc(N)cc3[n+](-c3ccccc3)c2c1 4271978 GVXANNXCNJZRKF-UHFFFAOYSA-O 343.454 4.093 5 50 EIBA CC(C)(C)c1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 331111 VFPDITBIJATAHM-UHFFFAOYSA-N 346.358 4.049 5 50 EIBA COc1cc2ccccc2cc1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 449958 FBVUYERTNIQPOS-UHFFFAOYSA-N 340.310 4.148 5 50 EIBA O=C(c1ccc(Cl)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 4187833 YYKIJVQOIOIHNX-UHFFFAOYSA-N 330.771 4.079 5 50 EIBA Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 4975753 FBUBFAGYUQCTSW-UHFFFAOYSA-N 325.151 4.462 5 50 EIBA CCN(CC)c1ccc(C(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] 4983542 SRZMKEBKYBCEEI-UHFFFAOYSA-N 347.802 4.347 5 50 EIBA O=[N+]([O-])c1cccc(-c2nc([C@@H]3COc4ccccc4O3)cs2)c1 206931 DMWYBZRZWNQZDP-INIZCTEOSA-N 340.360 4.231 5 50 EIBA COc1ccc([N+](=O)[O-])cc1NCc1ccccc1C(F)(F)F 439227 HVCRHKDLYKVBAT-UHFFFAOYSA-N 326.274 4.234 5 50 EIBA CCCCOc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 2897600 QTQQWGHCXJVCGQ-UHFFFAOYSA-N 328.368 4.334 5 50 EIBA COc1ccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1Cl 4999095 WGNJDSFFLAHFPZ-UHFFFAOYSA-N 337.788 4.066 5 50 EIBA Cc1cc(OC(F)F)ccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1 5041798 CXVXHBYFVHXUMP-UHFFFAOYSA-N 337.282 4.149 5 50 EIBA CC(C)OC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 244568 PWDFSHBPJLXBJF-UHFFFAOYSA-N 347.754 4.044 5 50 EIBA CN(C)C(=O)c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 1386940 YAJWFHRNWCIIPW-UHFFFAOYSA-N 336.800 4.101 5 50 EIBA CCCOc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 4043988 YSECPEMCPVSRFA-IZZDOVSWSA-N 340.379 4.344 5 50 EIBA O=[N+]([O-])c1cccc(-c2nc(-c3cccc(Br)c3)no2)c1 4866761 HRYNNRLJSGQCOK-UHFFFAOYSA-N 346.140 4.074 5 50 EIBA Cc1ccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1C 175232 ITKZAYDCFKEJGZ-UHFFFAOYSA-N 327.365 4.074 5 50 EIBA O=C(Nc1cc([N+](=O)[O-])ccc1F)Oc1ccc2ccccc2c1 1753377 OOFNCMIHBWXOBH-UHFFFAOYSA-N 326.283 4.498 5 50 EIBA O=[N+]([O-])c1ccc2c(C3=CCN(Cc4ccccc4)CC3)c[nH]c2c1 169677489 PUSWMOXURSNMOS-UHFFFAOYSA-N 333.391 4.365 5 50 EIBA Cc1cc(Br)cc(C)c1NC(=O)c1ccccc1[N+](=O)[O-] 451274 AAGRVCZPZVHAGG-UHFFFAOYSA-N 349.184 4.226 5 50 EIBA COc1cc(NC(=O)c2c(C)cc(C)cc2C)c(Cl)cc1[N+](=O)[O-] 23634137 QLJAPWNQTXPNBG-UHFFFAOYSA-N 348.786 4.434 5 50 EIBA COc1ccc([N+](=O)[O-])cc1COc1ccc(Cl)c2cccnc12 471528 DDFFKHNINUVZPI-UHFFFAOYSA-N 344.754 4.384 5 50 EIBA O=[N+]([O-])c1c(N2CCC[C@H](c3ccccc3)CC2)nc2sccn12 170620645 CPCYCCVOGWVCFX-AWEZNQCLSA-N 342.424 4.078 5 50 EIBA Cc1c(C(=O)Nc2cccc(Cl)c2Cl)cccc1[N+](=O)[O-] 259085 MXEHAMYLYDQCMW-UHFFFAOYSA-N 325.151 4.462 5 50 EIBA O=C(O)[C@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)c1ccccc1 4980059 WIPFLHRMYUMKKE-LJQANCHMSA-N 346.338 4.151 5 50 EIBA CCOc1ccccc1OCCCCOc1ccc([N+](=O)[O-])cc1 4702137 COJRPTSWFYVLTJ-UHFFFAOYSA-N 331.368 4.232 5 50 EIBA Cc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc(C(C)C)cc1 4689093 QYUAZAJNLFCLAK-UHFFFAOYSA-N 328.368 4.044 5 50 EIBA Cc1cccc([N+](=O)[O-])c1NC(=O)c1ccc(Cl)c(Cl)c1 4795697 IGMXWXPYSWNDKP-UHFFFAOYSA-N 325.151 4.462 5 50 EIBA COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(C(C)(C)C)cc1 5005753 BPVZWNREMODMDV-UHFFFAOYSA-N 328.368 4.153 5 50 EIBA CC(C)(C)c1cc(Br)c(Br)c([N+](=O)[O-])c1 36532888 OUSINYQPFAFDIP-UHFFFAOYSA-N 337.011 4.417 5 50 EIBA CN(C)c1cccc(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 4371985 UXGUOOHYTMBWSW-UHFFFAOYSA-N 325.290 4.423 5 50 EIBA C[C@@H]1CCCCN1C(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 4856703 OFJIPFJUTHIDDO-CQSZACIVSA-N 340.379 4.402 5 50 EIBA O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1nc(C3CC3)cs1)CCC2 193025150 LSXAUENTVIYWMI-OAHLLOKOSA-N 329.425 4.096 5 50 EIBA Cc1nc2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2s1 1426289 IMIIXLWHJLFLSC-RUDMXATFSA-N 339.376 4.165 5 50 EIBA Cc1c(C(=O)Nc2ccc3c4c(cccc24)CC3)cccc1[N+](=O)[O-] 859027 FWZVUHMEDUIYBX-UHFFFAOYSA-N 332.359 4.407 5 50 EIBA Cc1ccc(C(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c(C)c1 4575208 BGKYUZACMJOVDY-UHFFFAOYSA-N 338.407 4.433 5 50 EIBA Cc1cc(C(=O)N(Cc2ccccc2)c2ccccn2)ccc1[N+](=O)[O-] 183754 FTMJGZQBCUMLLI-UHFFFAOYSA-N 347.374 4.145 5 50 EIBA O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc2c1C(=O)c1ccccc1-2 4473240 YTLJRPWXDOIRJT-UHFFFAOYSA-N 344.326 4.059 5 50 EIBA O=C(c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CCCCC1 4838109 CUOOUYGHAQBFGI-UHFFFAOYSA-N 326.352 4.013 5 50 EIBA Cc1c(O)ccc2c1oc1c(-c3ccc(O)cc3)c3cnn(C)c3nc12 253400762 FDUSWZTUCQRSEP-UHFFFAOYSA-N 345.358 4.254 5 50 EIBA biogenic COc1ccccc1Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 61951 WQUCUHIAOIPUMX-UHFFFAOYSA-N 327.365 4.471 5 50 EIBA Cc1ccccc1C(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1Cl 5061107 FBHBWNTXYNIKCM-UHFFFAOYSA-N 325.151 4.462 5 50 EIBA COc1ccc([N+](=O)[O-])cc1NC(=O)Oc1ccc(F)cc1Cl 1752588 AJLPNMDDZRLVBN-UHFFFAOYSA-N 340.694 4.007 5 50 EIBA O=[N+]([O-])c1ccccc1CNc1cccc2c1CN(c1ccccn1)C2 378285534 FYMIYDZNSFAYIF-UHFFFAOYSA-N 346.390 4.122 5 50 EIBA Cc1c(C(=O)OCC(=O)c2ccc3ccccc3c2)cccc1[N+](=O)[O-] 460739 UZCCBSOVXPHXKS-UHFFFAOYSA-N 349.342 4.096 5 50 EIBA Cc1ccc(C(=O)NCc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 474416 RWYGVTLPCXKYAI-UHFFFAOYSA-N 339.178 4.140 5 50 EIBA O=C(Nc1ccc(F)cc1F)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 529302 JZZUZQCZLQRING-UHFFFAOYSA-N 344.273 4.385 5 50 EIBA COc1cc2c(cc1[N+](=O)[O-])[C@@H]1CC[C@]3(C)C(=O)CC[C@@H]3[C@H]1CC2 257357481 OGJQXEWFCAGBJC-IZSNYMMISA-N 329.396 4.029 5 50 EIBA CC1CCN(c2ccccc2NC(=O)c2ccccc2[N+](=O)[O-])CC1 558402 AEPHSMNRUKZDEO-UHFFFAOYSA-N 339.395 4.083 5 50 EIBA O=C(Oc1ccc2c(c1)CCCC2)c1ccc([N+](=O)[O-])cc1Cl 620287 FMNDJYCGRODRGV-UHFFFAOYSA-N 331.755 4.346 5 50 EIBA O=C(NCc1cccc(Oc2ccccc2)c1)c1cccc([N+](=O)[O-])c1 314250 SULLKPKTMTUPHD-UHFFFAOYSA-N 348.358 4.317 5 50 EIBA O=C(CSc1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 365218 HRAYTQQELHYCIO-UHFFFAOYSA-N 330.390 4.180 5 50 EIBA biogenic C[C@H](C(=O)Nc1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1 471731 PSIJBKMRCGEQPU-JTQLQIEISA-N 349.184 4.100 5 50 EIBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc(C(F)(F)F)c1 14429980 ZFLDHPLMFCNVII-BQYQJAHWSA-N 336.269 4.266 5 50 EIBA Cc1ccccc1O[C@@H](C)c1nc(-c2cccc([N+](=O)[O-])c2)no1 1064986 LZOKFHHONXGYNG-LBPRGKRZSA-N 325.324 4.093 5 50 EIBA CCOc1cccc(OCCCCOc2ccc([N+](=O)[O-])cc2)c1 2987053 JVPPRMWNRQJMHA-UHFFFAOYSA-N 331.368 4.232 5 50 EIBA CC(C)Oc1ccc(C(=O)OC[C@@H]2CCC[N@+]3(C)CCCC[C@H]23)cc1 245232546 XGTLNLLQOKXQNE-DWLFOUALSA-N 346.491 4.040 5 50 EIBA biogenic O=[N+]([O-])c1cc(-c2nnc(-c3ccccc3)o2)ccc1Br 73351 DEFDUEVYUFNGGT-UHFFFAOYSA-N 346.140 4.074 5 50 EIBA Cc1cccc2sc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)nc12 175583 DGAJSMGNFFYPRQ-UHFFFAOYSA-N 347.783 4.419 5 50 EIBA CCN(CC)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 305218 RVUQXXBBWSOMOI-UHFFFAOYSA-N 327.384 4.002 5 50 EIBA Cc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c(C)c1 4575457 AFALCLVYXLQWLF-UHFFFAOYSA-N 338.407 4.433 5 50 EIBA O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cccc(C(F)(F)F)c1 437377 IRAQIIPFSOPROX-RMKNXTFCSA-N 336.269 4.266 5 50 EIBA O=[N+]([O-])c1ccc([C@@H]2[C@H]3C(c4ccccc4)=NC4(CCCCC4)[N@]32)cc1 1857622191 JCCUFLGXQUXPLE-VIZSFHNOSA-N 347.418 4.483 5 50 EIBA Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 443801 OLHMPYRGLIFSMQ-UHFFFAOYSA-N 346.358 4.183 5 50 EIBA O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCCCC1 461198 DPCSQOSXIAFMQP-UHFFFAOYSA-N 342.420 4.372 5 50 EIBA CC(C)(C)OC(=O)N1CC=C(c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 95837020 RERYBXVNHMAABS-UHFFFAOYSA-N 343.383 4.100 5 50 EIBA O=C(Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1O 304058 BIAXXLJSMAIZHN-UHFFFAOYSA-N 334.331 4.220 5 50 EIBA Cc1cc(Cl)ccc1OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 99435 VUPKVKUHHKXZGN-UHFFFAOYSA-N 345.742 4.186 5 50 EIBA COC(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 41675 RKGXOPXRCXXFKS-UHFFFAOYSA-N 341.241 4.193 5 50 EIBA COc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/c1ccc(C(C)C)cc1 4506716 ZKWNYLOUUWKMAI-IZZDOVSWSA-N 340.379 4.379 5 50 EIBA Cc1ccc(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 562756 GBASEMNGQSBZCP-CYBMUJFWSA-N 330.409 4.331 5 50 EIBA C[N@+]12CCCC[C@H]1[C@@H](OC(=O)C1(c3ccccc3)CCCC1)CCC2 245380449 ZIVXSNSWRIBHKJ-SXWKCWPCSA-N 342.503 4.203 5 50 EIBA biogenic CC(C)c1ccc(CNc2c([N+](=O)[O-])c(=O)oc3ccccc23)cc1 13522615 DMSLJFDRSFTHFP-UHFFFAOYSA-N 338.363 4.437 5 50 EIBA CCOc1ccc(C(=O)OCC[C@H]2CCC[N@@+]3(C)CCCC[C@H]23)cc1 252460950 JKGLLRLAYPIYPO-NQSCKRDGSA-N 346.491 4.041 5 50 EIBA biogenic CC[C@@H]1C=C(c2ccc([N+](=O)[O-])cc2)O[C@@H](N2CCCCC2)[C@@H]1C 55178339 UKBFXKYZXNIXTF-SPYBWZPUSA-N 330.428 4.440 5 50 EIBA O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ncc([N+](=O)[O-])s1 6862937 PQSHNLHSNRWFDA-UHFFFAOYSA-N 333.156 4.002 5 50 EIBA CCN(CC)c1ccc2nc3ccc(=N)cc-3n(-c3ccccc3)c2c1 138876050 GVXANNXCNJZRKF-UHFFFAOYSA-N 342.446 4.456 5 50 EIBA O=[N+]([O-])c1ccc(-c2csc(Nc3ccc4c(c3)OCO4)n2)cc1 64309 JEJABRMMPFHKDN-UHFFFAOYSA-N 341.348 4.191 5 50 EIBA O=[N+]([O-])c1ccccc1-c1ccc(/C=C2\SC(=S)N=C2O)o1 16995369 GFDDVTZJRDWAAV-GHXNOFRVSA-N 332.362 4.184 5 50 EIBA Cc1ccc(NC(=S)NCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 5041367 RHAHERDMJWHINZ-UHFFFAOYSA-N 335.816 4.043 5 50 EIBA Cc1ccc(NC(=O)COc2ccccc2C(C)(C)C)cc1[N+](=O)[O-] 133667 VVXWKELZIZGETD-UHFFFAOYSA-N 342.395 4.218 5 50 EIBA O=C(CCNc1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 446432 IMYQHIFMQONSLO-UHFFFAOYSA-N 338.285 4.299 5 50 EIBA C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 471717 WTWVMOMTZUCOLM-JTQLQIEISA-N 338.285 4.356 5 50 EIBA Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1Cl 102090 WIUULVUZROYUNO-UHFFFAOYSA-N 325.151 4.462 5 50 EIBA CC(C)(C)c1nn(-c2ccc([N+](=O)[O-])cc2)c2c1C(=O)c1ccccc1-2 2543551 LTTCPQLJVCBFLQ-UHFFFAOYSA-N 347.374 4.289 5 50 EIBA COc1ccc(-c2csc(Nc3cccc([N+](=O)[O-])c3)n2)cc1 73649 OYOYYUCWNWMBAL-UHFFFAOYSA-N 327.365 4.471 5 50 EIBA O=C(Oc1ccccc1)c1ccccc1OCc1ccc([N+](=O)[O-])cc1 472284 MCPUQNZYWDXRCM-UHFFFAOYSA-N 349.342 4.393 5 50 EIBA CSc1ccccc1NC(=O)CSCc1ccc([N+](=O)[O-])cc1 611950 NMWZBBCYTADASH-UHFFFAOYSA-N 348.449 4.189 5 50 EIBA Cc1ccc(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1 4978700 ASWMWLRMVGWNNE-UHFFFAOYSA-N 338.407 4.371 5 50 EIBA CC(=O)c1ccc(Oc2ccc(Br)cc2)c([N+](=O)[O-])c1 19871484 WFGKIUDNHBMEPA-UHFFFAOYSA-N 336.141 4.352 5 50 EIBA in-vitro CN(C(=O)C[C@@H]1C=CCC1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 180283976 RJYDTWQMHRNQDP-GFCCVEGCSA-N 343.408 4.037 5 50 EIBA O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(Cl)c2ccccc2c1O 2163975 AFDDVFAAUCWOBI-UHFFFAOYSA-N 342.738 4.359 5 50 EIBA O=C(Nc1cccc2ccccc12)c1cc(Cl)cc([N+](=O)[O-])c1O 4014083 PPXCOQNXMUYLCR-UHFFFAOYSA-N 342.738 4.359 5 50 EIBA CC[C@H](Oc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 474491 SBPYICXMRAAXBN-HNNXBMFYSA-N 334.759 4.044 5 50 EIBA Cc1cccc(OCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 4181154 QXKDMLJBKKKNKX-UHFFFAOYSA-N 340.301 4.413 5 50 EIBA Cc1ccccc1O[C@H](C)c1nc(-c2cccc([N+](=O)[O-])c2)no1 1064987 LZOKFHHONXGYNG-GFCCVEGCSA-N 325.324 4.093 5 50 EIBA O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(Cl)c2ccccc2c1O 4774861 UQJKBFSRGMKTIQ-UHFFFAOYSA-N 342.738 4.359 5 50 EIBA O=Cc1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1 454505 GLHYMSJCILWESU-UHFFFAOYSA-N 326.135 4.293 5 50 EIBA O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccccc1-c1ccccc1 4822694 BYFJTZVKUSQKDS-UHFFFAOYSA-N 332.359 4.443 5 50 EIBA COc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C)cc1 22015400 AAUHQNFHNSHECX-UHFFFAOYSA-N 342.395 4.044 5 50 EIBA O=C1c2ccccc2C(=O)N1Cc1cccc2cc3ccccc3nc12 4188439 MIACVWPCUHSXJM-UHFFFAOYSA-N 338.366 4.184 5 50 EIBA Cc1cccc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c1C 316103 YSZYXADBYLXYFM-UHFFFAOYSA-N 330.409 4.084 5 50 EIBA CC[C@H](Oc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 471670 SRJRCYGIBFGBIM-HNNXBMFYSA-N 325.324 4.175 5 50 EIBA COc1ccc(C(=O)Nc2ccccc2C(C)(C)C)cc1[N+](=O)[O-] 461932 VCCFLVJRGGQVLI-UHFFFAOYSA-N 328.368 4.153 5 50 EIBA C[C@H]1C[C@H](c2cccnc2)N(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 302154597 VKRJHQONSANXIJ-SCLBCKFNSA-N 334.379 4.126 5 50 EIBA Cc1cc(C(=O)NC(c2ccccc2)c2ccccc2)ccc1[N+](=O)[O-] 102169 MAWGINLBBWSMLN-UHFFFAOYSA-N 346.386 4.423 5 50 EIBA CCOc1ccc(C(=O)Nc2cc(C)ccc2[N+](=O)[O-])cc1Cl 5049085 YUDLWDUATUOHON-UHFFFAOYSA-N 334.759 4.208 5 50 EIBA CC(C)(CNc1ncccc1[N+](=O)[O-])SCc1ccc(F)cc1 20405319 JHHQQARUOFZRIL-UHFFFAOYSA-N 335.404 4.253 5 50 EIBA O=C(Nc1ccc(F)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 276699 NIRQCEZTLQQZAP-UHFFFAOYSA-N 326.283 4.246 5 50 EIBA COc1c(NC(=O)c2ccc(Cl)cc2Cl)cccc1[N+](=O)[O-] 1738779 NHUKMQVMPLGTPW-UHFFFAOYSA-N 341.150 4.163 5 50 EIBA O=[N+]([O-])c1ccc2c(c1)[C@H]1c3ccccc3[C@H]2c2cc([N+](=O)[O-])ccc21 100286682 XXNZTVZBLSIMST-BGYRXZFFSA-N 344.326 4.490 5 50 EIBA O=[N+]([O-])c1ccccc1-c1ccc(CN2CCc3ccccc3C2)o1 23280508 FCUPAQJSHGQWNM-UHFFFAOYSA-N 334.375 4.413 5 50 EIBA O=C(NC1CCCC1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 4840701 GSLPBJZIYJZBFZ-UHFFFAOYSA-N 326.352 4.060 5 50 EIBA O=[N+]([O-])c1ccc(N[C@@H]2CCO[C@@H](C3CC3)C2)nc1-c1ccccc1 160271893 LITGELMUJDGOQC-NVXWUHKLSA-N 339.395 4.026 5 50 EIBA O=C(Nc1ccccc1)c1ccc(Oc2ncc([N+](=O)[O-])s2)cc1 192524817 AYJVXALAIPSQMR-UHFFFAOYSA-N 341.348 4.096 5 50 EIBA O=C1Nc2ccccc2/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 574869 BEFJZKNRPAAOLB-WJDWOHSUSA-N 332.315 4.348 5 50 EIBA O=[N+]([O-])c1c(Nc2ccc(Cl)cc2)cc(Cl)c2nonc12 5170661 IPILICCHFHSNSB-UHFFFAOYSA-N 325.111 4.181 5 50 EIBA O=[N+]([O-])c1ccc2nc(SCc3nc4ccccc4[nH]3)sc2c1 282600 OKJOBFZKXCEMMI-UHFFFAOYSA-N 342.405 4.373 5 50 EIBA O=[N+]([O-])c1c(Sc2ccc3ccccc3n2)ccc2nsnc12 1071123 RVDQMRKBSLWQKK-UHFFFAOYSA-N 340.389 4.299 5 50 EIBA O=[N+]([O-])c1ccc(N2CCCC2)cc1NCc1ccc(Cl)cc1 4333735 AAAMXFYVZFLVMC-UHFFFAOYSA-N 331.803 4.461 5 50 EIBA C[C@H]1CC(NC(=O)c2cc3ccccc3c3cccnc23)C[C@H](C)O1 225532340 NPTVNMDQIPCEFO-KBPBESRZSA-N 334.419 4.074 5 50 EIBA O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)/C(Cl)=C/c1ccccc1 54702 GBDLDZQJTYNWJC-JYRVWZFOSA-N 337.162 4.467 5 50 EIBA CCCCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 2064351 WITNAUDCPZSMGV-UHFFFAOYSA-N 332.331 4.165 5 50 EIBA O=C(Cc1ccccc1)Nc1ccc(-c2ccccc2)cc1[N+](=O)[O-] 4020856 DFOIKECTOLVHDV-UHFFFAOYSA-N 332.359 4.443 5 50 EIBA Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(Cl)c1 458167 ZEFPKZVEHOLGQC-UHFFFAOYSA-N 325.151 4.462 5 50 EIBA Cc1cccc(N2C(=O)S/C(=C/c3ccc([N+](=O)[O-])cc3)C2=O)c1 4843846 WPMYVQPHVDMJEJ-XNTDXEJSSA-N 340.360 4.144 5 50 EIBA C[C@H](NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1 620112 OAQNPDOPPMUYAI-ZDUSSCGKSA-N 336.347 4.346 5 50 EIBA Cn1c(CN2CCCC2)c(-c2ccccc2)c2cc([N+](=O)[O-])ccc21 5073913 OZFBMSPPIWRJNS-UHFFFAOYSA-N 335.407 4.349 5 50 EIBA Cc1cc(Cl)ccc1OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 99434 GUDHNOLXRDPCIH-UHFFFAOYSA-N 345.742 4.186 5 50 EIBA Cc1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)ccc1C(C)C 137281 WCZFWSDCGPYHFZ-UHFFFAOYSA-N 328.368 4.044 5 50 EIBA CCCNc1ccc(C(=O)N2CCCc3ccccc32)cc1[N+](=O)[O-] 4839845 IUGXVZYKZJRLIN-UHFFFAOYSA-N 339.395 4.010 5 50 EIBA Cc1cc(C(=O)OCC(=O)c2ccc3ccccc3c2)ccc1[N+](=O)[O-] 461881 VXOUGLDIMQNCSE-UHFFFAOYSA-N 349.342 4.096 5 50 EIBA O=C(Nc1cccnc1)c1sc2cc([N+](=O)[O-])ccc2c1Cl 2872661 RFIQIVYAUDLTBL-UHFFFAOYSA-N 333.756 4.110 5 50 EIBA COc1cc2ccccc2cc1C(=O)Nc1ccc([N+](=O)[O-])cc1C 4991222 OQFJCSYPKWSDLZ-UHFFFAOYSA-N 336.347 4.317 5 50 EIBA CC(=O)Oc1cccc2ccc(/C=C/c3ccc([N+](=O)[O-])cc3)nc12 4845286 HPRPCUWZXDRNJN-WEVVVXLNSA-N 334.331 4.239 5 50 EIBA Cc1cc(Cl)ccc1OC(=O)c1cc([N+](=O)[O-])ccc1Cl 122501 QKIUKEZXAWEKBO-UHFFFAOYSA-N 326.135 4.429 5 50 EIBA O=c1oc(-c2ccc([N+](=O)[O-])cc2)nc2sc3c(c12)CCCCC3 316037 JMVPNSYAXYQBMG-UHFFFAOYSA-N 342.376 4.094 5 50 EIBA COc1cc([N+](=O)[O-])ccc1NC(=O)CC12CC3CC(CC(C3)C1)C2 5065235 GCRBZVLJSBYNQM-UHFFFAOYSA-N 344.411 4.148 5 50 EIBA COc1cc2c(cc1[N+](=O)[O-])[C@@H]1CC[C@]3(C)C(=O)CC[C@H]3[C@@H]1CC2 257357480 OGJQXEWFCAGBJC-BFDPJXHCSA-N 329.396 4.029 5 50 EIBA O=C(CCCOc1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1 1773670 UVOFFHUUDUDYEO-UHFFFAOYSA-N 334.759 4.046 5 50 EIBA Cc1ccc(C)c(OCCCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])c1 4056330 QEUSZPCSAZDZOZ-UHFFFAOYSA-N 342.395 4.318 5 50 EIBA Cc1nc(NC2CCCCC2)nc(NC2CCCCC2)c1[N+](=O)[O-] 6690906 VSQHVFCLOSIAHF-UHFFFAOYSA-N 333.436 4.182 5 50 EIBA Cc1cc2c(cc1C)[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)CC(=O)N2 221458 WELUPBPULQNNNE-LBPRGKRZSA-N 330.771 4.339 5 50 EIBA COc1c(Cl)cc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1Cl 5123699 YWMGOIPLCPJEIC-UHFFFAOYSA-N 341.150 4.163 5 50 EIBA COc1cccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 272955 OEBVDOWSRRGMCM-UHFFFAOYSA-N 338.319 4.116 5 50 EIBA O=[N+]([O-])c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 443066 YYPBTFZKNLQSQR-UHFFFAOYSA-N 335.241 4.331 5 50 EIBA Cc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1 4698898 DQAHXRUHZAZVGK-UHFFFAOYSA-N 348.786 4.353 5 50 EIBA Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)c(Br)c1 68134 UUDLQDADAGOOHP-UHFFFAOYSA-N 349.184 4.226 5 50 EIBA O=C(Nc1cccc([N+](=O)[O-])c1)Nc1cccc(C(F)(F)F)c1 1738349 SEHOCLXSYJRAGF-UHFFFAOYSA-N 325.246 4.258 5 50 EIBA Cc1ccc(OCCCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 1773407 QXSXIJIYRQCQPD-UHFFFAOYSA-N 348.786 4.354 5 50 EIBA CC1(C)C[C@@](C)(c2ccc([N+](=O)[O-])cc2)c2cc([N+](=O)[O-])ccc21 2067068 CHKLAJJDZRIGFI-SFHVURJKSA-N 326.352 4.490 5 50 EIBA COc1cc([N+](=O)[O-])ccc1NC(=O)C1(c2ccccc2)CCCC1 5013934 QLFHZQGHZPMOCU-UHFFFAOYSA-N 340.379 4.054 5 50 EIBA COCc1ccc([C@@H]2CCCN2c2ccc([N+](=O)[O-])cc2Cl)o1 161660608 ZJJVZMVHTAKNNQ-HNNXBMFYSA-N 336.775 4.329 5 50 EIBA Cc1ccc([C@H](NCc2ccccc2[N+](=O)[O-])c2ccccn2)cc1 328588327 BWYZXZOOOAESQR-FQEVSTJZSA-N 333.391 4.177 5 50 EIBA O=C(Nc1ccc(OCc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 44919 KLWLOSCIRMBHNS-UHFFFAOYSA-N 348.358 4.426 5 50 EIBA CCCC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccccc1[N+](=O)[O-] 187558 KHLACIUAQRXVJC-SFHVURJKSA-N 337.379 4.073 5 50 EIBA Cc1cc(Br)c(NC(=O)c2ccccc2[N+](=O)[O-])cc1C 465871 CPKHYEOICHEYFK-UHFFFAOYSA-N 349.184 4.226 5 50 EIBA CCOc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1[N+](=O)[O-] 350615 DGYUUOHYLSQHAK-UHFFFAOYSA-N 334.759 4.208 5 50 EIBA Cc1cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1Br 438106 ACMOCBCSCIQLID-UHFFFAOYSA-N 349.184 4.226 5 50 EIBA O=C(Oc1ccc2oc3c(c2c1)CCCC3)c1cccc([N+](=O)[O-])c1 501814 HXVSTXBFAPZUJX-UHFFFAOYSA-N 337.331 4.439 5 50 EIBA CCCOc1ccc(/C=C/C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 1778095 MMSDVUXVKUXAAE-YRNVUSSQSA-N 340.379 4.344 5 50 EIBA O=C(Nc1ccccc1F)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 536650 JTRITCZDLWHFGP-UHFFFAOYSA-N 326.283 4.246 5 50 EIBA O=[N+]([O-])c1ccc(C2=Nc3ccccc3C(c3ccccc3)=NN2)cc1 4997245 ADNXWSTVPWYKNA-UHFFFAOYSA-N 342.358 4.029 5 50 EIBA COc1cc(NC2CCCCC2)c([N+](=O)[O-])cc1Br 82046488 XHOKWZYROYEDKE-UHFFFAOYSA-N 329.194 4.111 5 50 EIBA in-vitro O=[N+]([O-])c1ccc(-c2nc(Cc3c(F)cccc3Cl)no2)cc1 442995 VSYQLKYHIHAQKH-UHFFFAOYSA-N 333.706 4.028 5 50 EIBA Cc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)sc2c1 452580 NREOZTGXSIPRHE-UHFFFAOYSA-N 347.783 4.419 5 50 EIBA Cc1ccc(C(c2ccc(C)o2)c2cc3c(cc2[N+](=O)[O-])OCO3)o1 3850588 HVSNILJHDDDQRP-UHFFFAOYSA-N 341.319 4.307 5 50 EIBA biogenic Cc1nn(C(C)(C)C)cc1[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 155803531 CJFJTUMONCFEMU-CHWSQXEVSA-N 330.432 4.267 5 50 EIBA CC1=CC(C)(C)Nc2ccc(OC(=O)c3ccccc3[N+](=O)[O-])cc21 181777 LPFNHAAEUSZQSM-UHFFFAOYSA-N 338.363 4.421 5 50 EIBA O=[N+]([O-])c1cccc(Cl)c1[C@@H]1NN=C(Cc2ccccc2)S1 5018413 NBEWPQJRYPFGNF-OAHLLOKOSA-N 333.800 4.139 5 50 EIBA O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC(Cc2ccccc2)CC1 5042070 IOTWCJJUAOLVPK-UHFFFAOYSA-N 339.395 4.081 5 50 EIBA COc1ccc(NC(=O)/C=C/c2ccc(C(C)C)cc2)c([N+](=O)[O-])c1 5093476 BCOXOZOGQBWQNH-IZZDOVSWSA-N 340.379 4.379 5 50 EIBA O=[N+]([O-])c1ccc(N[C@@H]2CCO[C@H](C3CC3)C2)nc1-c1ccccc1 160271698 LITGELMUJDGOQC-WBVHZDCISA-N 339.395 4.026 5 50 EIBA O=[N+]([O-])c1ccc2[nH]c3c(c2c1)CCC[C@@H]3N[C@H]1C[C@H]2CC[C@H]1C2 584904378 VXWKNFYNAXLMPP-BMEPFDOTSA-N 325.412 4.232 5 50 EIBA Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1[C@@H](C=C(Cl)Cl)C1(C)C 4426333 WJGBLBSCHKSPFU-MFKMUULPSA-N 343.210 4.433 5 50 EIBA C[C@H]1C[C@@H](Nc2c([N+](=O)[O-])c(=O)oc3ccccc23)CC(C)(C)C1 4833894 XXFBVGMMIROTHC-NWDGAFQWSA-N 330.384 4.328 5 50 EIBA O=[N+]([O-])c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 1684207 CGEDQIAIMQJXJN-UHFFFAOYSA-N 328.202 4.314 5 50 EIBA CCC1=C(c2ccccc2)[N+](=O)[C@@](C)(c2cccc([N+](=O)[O-])c2)N1O 33448236 SDZRPNLBUMBYQY-SFHVURJKSA-N 340.359 4.030 5 50 EIBA CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1 474565 KOAMGAVCGIYGGJ-UHFFFAOYSA-N 340.408 4.166 5 50 EIBA O=C(Oc1ccc(Cl)c2cccnc12)c1ccccc1[N+](=O)[O-] 454371 ZNMCUJFYZGGXJM-UHFFFAOYSA-N 328.711 4.016 5 50 EIBA CCOc1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1Cl 450155 ZGRJZPYQEXSALB-UHFFFAOYSA-N 338.722 4.038 5 50 EIBA Cc1nnc(Sc2ccc([N+](=O)[O-])cc2Cl)n1-c1ccccc1 4983091 PRHJPSFLHGAWLL-UHFFFAOYSA-N 346.799 4.289 5 50 EIBA O=[N+]([O-])c1ccc(N[C@H]2CCO[C@@H](C3CC3)C2)nc1-c1ccccc1 160272027 LITGELMUJDGOQC-DOTOQJQBSA-N 339.395 4.026 5 50 EIBA COc1ccc(C(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)cc1 457124 GDCZPTCEVVYFAW-UHFFFAOYSA-N 326.135 4.141 5 50 EIBA Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)c([N+](=O)[O-])c1 4903209 XNSDTRRRVLPDDJ-LBPRGKRZSA-N 348.786 4.271 5 50 EIBA Cc1cccc(C(C)C)c1NC(=O)COc1ccc([N+](=O)[O-])cc1 140408 PYGRHUFPTKNNSM-UHFFFAOYSA-N 328.368 4.044 5 50 EIBA CN(Cc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 32723 IDLXCLSMWNHOJJ-UHFFFAOYSA-N 325.393 4.355 5 50 EIBA Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccccc1C(C)(C)C 133669 GQHZEMPWIBVHQH-UHFFFAOYSA-N 342.395 4.218 5 50 EIBA CCC(CC)n1ncc(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c1C 408517718 QJEOQTOWUPZXAQ-UHFFFAOYSA-N 344.415 4.330 5 50 EIBA COc1cc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1C(C)C 2838981 VNNPPEXZVLYATP-UHFFFAOYSA-N 328.368 4.288 5 50 EIBA C[C@@H](NCc1ccccc1[N+](=O)[O-])c1cccc(N2CCCC2)c1 181882993 LRVBYOUAKYJLKW-OAHLLOKOSA-N 325.412 4.046 5 50 EIBA COc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 4183005 BXYJUWMZQVVFSH-UHFFFAOYSA-N 341.150 4.163 5 50 EIBA COc1ccc(-c2c3cnn(C)c3nc3c2oc2cc(O)ccc23)cc1 253407018 JLNDADLAOUIJIE-UHFFFAOYSA-N 345.358 4.249 5 50 EIBA biogenic Cc1cc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c([N+](=O)[O-])c1 4745476 JZYPROTWYBZVKV-UHFFFAOYSA-N 349.730 4.026 5 50 EIBA Cc1ccc(NC(=O)n2nc(Cl)c3ccc([N+](=O)[O-])cc32)cc1C 3091316 YSWPRLUREJGJBF-UHFFFAOYSA-N 344.758 4.295 5 50 EIBA CCN(CC)CCNc1ccc(C)c2sc3ccccc3c(=O)c12 3831012 FBQPGGIHOFZRGH-UHFFFAOYSA-N 340.492 4.477 5 50 EIBA world CC(C)Oc1ccc(C(=O)OC[C@@H]2CCC[N@@+]3(C)CCCC[C@@H]23)cc1 245232549 XGTLNLLQOKXQNE-RCZSKKKRSA-N 346.491 4.040 5 50 EIBA biogenic Cc1ccc(C(=O)Oc2ccc(Cl)c3cccnc23)cc1[N+](=O)[O-] 460518 MNLWNMYGRCNXJU-UHFFFAOYSA-N 342.738 4.324 5 50 EIBA O=C(N[C@@H]1CCSc2ccccc21)c1c(Cl)cccc1[N+](=O)[O-] 171845789 FOSBVXHIKKCLBT-GFCCVEGCSA-N 348.811 4.215 5 50 EIBA O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)c1ccccc1 93630 AGPBXGAVDOHDFJ-UHFFFAOYSA-N 330.339 4.208 5 50 EIBA biogenic CC1CCN(C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 477299 VBOVFFSJTVTYJT-UHFFFAOYSA-N 348.786 4.380 5 50 EIBA O=[N+]([O-])c1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 4159276 BMCHLJAEORWACZ-UHFFFAOYSA-N 341.330 4.235 5 50 EIBA Cc1ccc(NC(=O)CCSc2ccc([N+](=O)[O-])cc2)c(C)c1 618126 IUSJUVHBGOKNCL-UHFFFAOYSA-N 330.409 4.333 5 50 EIBA O=C1CS[C@H](c2ccc([N+](=O)[O-])cc2)N1c1cccc(Cl)c1 240192 PVWDAGSOHPSVGQ-OAHLLOKOSA-N 334.784 4.027 5 50 EIBA Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)CO[C@@H]1CCCC[C@@H]1C 170633085 DCZWMQDNCSIREO-ZUZCIYMTSA-N 340.807 4.090 5 50 EIBA CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1 4691542 DHAHWUSXDWQPMG-ZDUSSCGKSA-N 328.368 4.126 5 50 EIBA Cc1cc(C)c(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1C 104230515 FIYVCFUYZURYAQ-UHFFFAOYSA-N 346.299 4.080 5 50 EIBA Cc1cc(Sc2nnc(C(F)(F)F)s2)c(F)cc1[N+](=O)[O-] 461970957 ZWFNQPGVHOSYNU-UHFFFAOYSA-N 339.295 4.064 5 50 EIBA O=C(OCC=C=CSc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 2830249 JRSNEIMBQMLKFP-UHFFFAOYSA-N 345.351 4.352 5 50 EIBA CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1 4691541 DHAHWUSXDWQPMG-CYBMUJFWSA-N 328.368 4.126 5 50 EIBA COc1ccc(COc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 261494453 YBXWUUMWZAJEOA-UHFFFAOYSA-N 327.258 4.201 5 50 EIBA CC(=O)c1cc([N+](=O)[O-])c(NCc2cncc(C(C)(C)C)c2)s1 2325775642 WEQKNVXMSKENRD-UHFFFAOYSA-N 333.413 4.164 5 50 EIBA O=Cc1cc([N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl 1059719 SEXHBCMLNVCEHG-UHFFFAOYSA-N 326.135 4.293 5 50 EIBA COc1ccc(Cl)cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 102780 KPUDIXQZXQOLQS-UHFFFAOYSA-N 341.150 4.163 5 50 EIBA O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccccc1F 1509819 ZTFRUHDIKRGGGY-UHFFFAOYSA-N 343.339 4.110 5 50 EIBA O=C(Nc1cccc(Cl)c1N1CCCC1)c1ccccc1[N+](=O)[O-] 1063929 MTZBTIYCKATAQS-UHFFFAOYSA-N 345.786 4.101 5 50 EIBA C[N@+]12CCCC[C@H]1[C@H](OC(=O)C1(c3ccccc3)CCCC1)CCC2 245380448 ZIVXSNSWRIBHKJ-MIZPHKNDSA-N 342.503 4.203 5 50 EIBA biogenic Cc1ccc(Cc2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)o2)cc1 5093876 ZOFDRINCNGODCZ-UHFFFAOYSA-N 336.347 4.339 5 50 EIBA CCCCOc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 2833930 KEVCPNXZJUAXGK-UHFFFAOYSA-N 329.352 4.131 5 50 EIBA Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)CO[C@@H]1CCCC[C@H]1C 170633088 DCZWMQDNCSIREO-MEBBXXQBSA-N 340.807 4.090 5 50 EIBA Cc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 102888 GERDZOZONQODBD-UHFFFAOYSA-N 325.151 4.462 5 50 EIBA O=C(OCc1ccc(Cl)c(Cl)c1)c1ccccc1[N+](=O)[O-] 466782 VCKNPDQNJKDICY-UHFFFAOYSA-N 326.135 4.259 5 50 EIBA Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)Cc1ccc(Cl)cc1 1751423 KSZBHLQGAOSJLH-UHFFFAOYSA-N 333.775 4.221 5 50 EIBA C[C@H]1CCCN(c2ccc(NC(=O)c3cccs3)cc2[N+](=O)[O-])C1 4998363 XQHUDATVUBIBQC-LBPRGKRZSA-N 345.424 4.145 5 50 EIBA Cc1nc(-c2ccc([N+](=O)[O-])cc2)c(C(=O)Nc2ccccc2)s1 124414 HZKVNCNEWNDYER-UHFFFAOYSA-N 339.376 4.279 5 50 EIBA CC(C)(C)OC(=O)n1cc(Br)c2cccc([N+](=O)[O-])c21 2563801 RHYXXCHHJCQANV-UHFFFAOYSA-N 341.161 4.095 5 50 EIBA in-vitro CC(C)(C)C(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 5495969 UVUWNHBAWRPOGU-UHFFFAOYSA-N 326.352 4.076 5 50 EIBA COc1cccc(NC(=O)c2cc3c(ccc4ccccc43)oc2=N)c1 17071821 LCRNMWGBQDOMMA-UHFFFAOYSA-N 344.370 4.326 5 50 EIBA O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccccc1-c1ccccc1 619829 RNDUPJYOOQPJAL-UHFFFAOYSA-N 348.358 4.279 5 50 EIBA Cc1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)cccc1[N+](=O)[O-] 442195 QPMCIGVCHHKFRK-UHFFFAOYSA-N 340.257 4.054 5 50 EIBA COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(Cl)ccc1Cl 5092024 ZTOKBMCAHJSIQE-UHFFFAOYSA-N 341.150 4.163 5 50 EIBA COc1ccc(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 7275477 MXXVLZZQGGRYOL-UHFFFAOYSA-N 326.274 4.234 5 50 EIBA Cc1cccc(Cl)c1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 103032 AQBIOLRLJGJDCQ-UHFFFAOYSA-N 325.151 4.462 5 50 EIBA COc1ccc(NC(=O)Oc2c(C)cc(Cl)cc2[N+](=O)[O-])cc1 1590800 YTBBNWGZEHGOMW-UHFFFAOYSA-N 336.731 4.176 5 50 EIBA O=[N+]([O-])c1ccc2c3c(ccc([N+](=O)[O-])c13)-c1nc3ccccc3nc1-2 48024946 PGSYUHOTAGTTKS-UHFFFAOYSA-N 344.286 4.247 5 50 EIBA O=C(Nc1nc(-c2ccc([N+](=O)[O-])o2)cs1)c1cccc(Cl)c1 2546628 ZPWHJXQNNORMHV-UHFFFAOYSA-N 349.755 4.217 5 50 EIBA O=C(Nc1ccc([N+](=O)[O-])cc1Cl)Oc1cccc2cccnc12 4583059 VNVNBPALDZOGQQ-UHFFFAOYSA-N 343.726 4.407 5 50 EIBA Cc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1[N+](=O)[O-] 295973 FUERIWBNFOBTRM-UHFFFAOYSA-N 325.151 4.462 5 50 EIBA O=C(/C=C/c1ccc(Br)cc1)Nc1ccccc1[N+](=O)[O-] 4903034 XRZWVIGKBYGDHF-JXMROGBWSA-N 347.168 4.009 5 50 EIBA O=[N+]([O-])c1ccc2c(c1)C1c3ccccc3C2c2ccc([N+](=O)[O-])cc21 4530480 QHVDBHFJKHPWSK-UHFFFAOYSA-N 344.326 4.490 5 50 EIBA Cc1cc(C(=O)Nc2ccc3c4c(cccc24)CC3)ccc1[N+](=O)[O-] 296770 XNMADCSPKZOFHI-UHFFFAOYSA-N 332.359 4.407 5 50 EIBA COc1cc([N+](=O)[O-])ccc1NC(=O)c1cccc(Cl)c1Cl 5123724 WYXXBZGFHGYBRT-UHFFFAOYSA-N 341.150 4.163 5 50 EIBA O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)c1ccc(F)cc1 83591 IDCFRSBLDRRDEG-UHFFFAOYSA-N 348.329 4.347 5 50 EIBA Cc1cccc([N+](=O)[O-])c1NC(=O)c1cc(Cl)ccc1Cl 4761379 JRRKXRKZCVABHQ-UHFFFAOYSA-N 325.151 4.462 5 50 EIBA CN(C)c1ccc(-c2oc3c(ccc4ccccc43)c(=O)c2O)cc1 4853121 HWVAZQRHGBRTDU-UHFFFAOYSA-N 331.371 4.385 5 50 EIBA O=[N+]([O-])c1ccc2[nH]cc([C@H](c3cccs3)N3CCCC3)c2c1 1775971560 VCNIXGPBWHFBEZ-QGZVFWFLSA-N 327.409 4.323 5 50 EIBA CCN(CC)c1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 557455 LCVCUTFYYYWGCB-UHFFFAOYSA-N 341.411 4.310 5 50 EIBA COc1ccc(OC(=O)Nc2cc([N+](=O)[O-])ccc2C)c(Cl)c1 2156348 IFXIXSBRCZXVIY-UHFFFAOYSA-N 336.731 4.176 5 50 EIBA Cc1cc(C)c(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1 104230435 SRITZVYGQGNRCO-UHFFFAOYSA-N 346.299 4.080 5 50 EIBA CC(C)c1ccc(OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 315162 CCTHMKKRHBIMIS-UHFFFAOYSA-N 348.786 4.389 5 50 EIBA CC(=O)Nc1c(Cl)cc2c(c1Cl)Cc1cc([N+](=O)[O-])ccc1-2 1688052 CQNRIZSMYOSPOV-UHFFFAOYSA-N 337.162 4.431 5 50 EIBA CCCOc1ccc(C(=O)OC[C@@H]2CCC[N@@+]3(C)CCCC[C@H]23)cc1 252441459 WRNCXQUMXVISMV-CZTZKLFOSA-N 346.491 4.041 5 50 EIBA biogenic,in-vitro Cc1ccc(-n2c(C)nnc2SCc2ccc([N+](=O)[O-])cc2)cc1 470703 PHAHICPWEHPJFV-UHFFFAOYSA-N 340.408 4.085 5 50 EIBA COc1ccccc1OC(=O)c1cc2c(ccc3ccccc32)oc1=O 16576691 HIBIDUYUBRVFIH-UHFFFAOYSA-N 346.338 4.174 5 50 EIBA CN(Cc1ccsc1)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 67674016 ZXFXUXDEEAYLGL-UHFFFAOYSA-N 348.427 4.015 5 50 EIBA O=C(Nc1cccc([N+](=O)[O-])c1)Oc1ccc(Cl)c2cccnc12 2164677 TUPACICIQFDGCF-UHFFFAOYSA-N 343.726 4.407 5 50 EIBA O=[N+]([O-])c1ccc(-c2noc(COc3cccc4ccccc34)n2)cc1 441101 OJTGKIAOADZNMU-UHFFFAOYSA-N 347.330 4.377 5 50 EIBA CCCCOc1ccc(/C=C/C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 1779874 YGWFKCHFZNBZMO-FMIVXFBMSA-N 340.379 4.426 5 50 EIBA O=[N+]([O-])c1ccc(-c2nnc(-c3cccc(Br)c3)o2)cc1 60940 OOXYFNFHCNHHNP-UHFFFAOYSA-N 346.140 4.074 5 50 EIBA CCc1ccc(OCCCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 4041913 XGLPDFQSDIVYFY-UHFFFAOYSA-N 342.395 4.263 5 50 EIBA O=C(CSCc1ccc(Cl)cc1)Nc1ccccc1[N+](=O)[O-] 4828629 MSFKNPPPEBJRHL-UHFFFAOYSA-N 336.800 4.120 5 50 EIBA C[C@@H](N=c1[nH]c(C2CC2)nc2ccccc12)c1cccc([N+](=O)[O-])c1 1875321496 KURFWTWQORGOLC-GFCCVEGCSA-N 334.379 4.010 5 50 EIBA O=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 153740 SVVIVJQFEIJBPS-UHFFFAOYSA-N 326.135 4.293 5 50 EIBA O=C(Nc1ccc2nc(C3CC3)oc2c1)c1ccc([N+](=O)[O-])cc1F 176627699 YSZDTQFGQGQUMY-UHFFFAOYSA-N 341.298 4.005 5 50 EIBA CC(C)Oc1ccc(C(=O)OC[C@@H]2CCC[N@@+]3(C)CCCC[C@H]23)cc1 245232545 XGTLNLLQOKXQNE-CZTZKLFOSA-N 346.491 4.040 5 50 EIBA biogenic C[C@H]1CCCCN1c1ccc(C(=O)NC2CCCCC2)cc1[N+](=O)[O-] 5069347 NDCGOBNIFBKYDU-AWEZNQCLSA-N 345.443 4.036 5 50 EIBA Clc1ccc2nc3cccc(I)c3nc2c1 1775956359 RMCCOIJIQNGJST-UHFFFAOYSA-N 340.551 4.041 5 50 EIBA C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 461332 DCKAVGUGRXPKDZ-SNVBAGLBSA-N 348.761 4.369 5 50 EIBA CCCCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 4689103 REZZUGOVFOQGDN-UHFFFAOYSA-N 344.367 4.035 5 50 EIBA COc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 103334 AFBAGNAURTYVJS-UHFFFAOYSA-N 341.150 4.163 5 50 EIBA COc1ccc([N+](=O)[O-])cc1NCc1ccc(C(F)(F)F)cc1 293203 URZQPWIZGUWQFA-UHFFFAOYSA-N 326.274 4.234 5 50 EIBA C[C@@H](C(=O)Nc1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1 471732 PSIJBKMRCGEQPU-SNVBAGLBSA-N 349.184 4.100 5 50 EIBA COc1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] 2275409 BJJZGZSTDWBWIK-UHFFFAOYSA-N 341.150 4.163 5 50 EIBA CC[C@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)C[C@@H](C)O1 225560355 IPSBOUYJXZKEIU-ZBFHGGJFSA-N 334.419 4.028 5 50 EIBA C/C(=C\c1ccccc1)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 4691169 NCAVOTMEMZFWEF-PKNBQFBNSA-N 339.376 4.247 5 50 EIBA aggregator O=C(Nc1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCCCCC1 4983430 ZUKYNULQEJPADW-UHFFFAOYSA-N 339.395 4.228 5 50 EIBA C/C(=C/c1ccc([N+](=O)[O-])cc1F)c1nc(O)c2ccsc2n1 349223101 JEQIUSJHQUGMQE-VURMDHGXSA-N 331.328 4.005 5 50 EIBA Cc1ccc(C(C)(C)C)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 133554 AUVGYJTYLDWKMS-UHFFFAOYSA-N 342.395 4.218 5 50 EIBA O=[N+]([O-])c1ccccc1OCCCCCOc1ccccc1[N+](=O)[O-] 2164715 HLNZNIFDYMWHPY-UHFFFAOYSA-N 346.339 4.131 5 50 EIBA O=C(c1ccc(Br)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 4701838 WQQSYXTVROPMCH-UHFFFAOYSA-N 340.560 4.242 5 50 EIBA Cc1cccc(C(C)C)c1NC(=O)COc1c(F)cccc1[N+](=O)[O-] 185039973 YNXCKICHGRQOKW-UHFFFAOYSA-N 346.358 4.183 5 50 EIBA O=C(Oc1ccc(OCc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 60380 CZOGVKLKDDAHCL-UHFFFAOYSA-N 349.342 4.393 5 50 EIBA C[C@H]1Cc2ccccc2N1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 17068164 QCCXSFWIDSDTIS-JTQLQIEISA-N 331.759 4.231 5 50 EIBA O=C(Nc1ccc(-n2cccc2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 4049828 WTMVLSQXKPAAND-UHFFFAOYSA-N 341.754 4.291 5 50 EIBA O=C(Nc1ccc([N+](=O)[O-])cc1)C1(Cc2ccc(Cl)cc2)CC1 1349911231 PCRIOGAPQXRVTD-UHFFFAOYSA-N 330.771 4.210 5 50 EIBA O=[N+]([O-])c1ccccc1CSc1nnc2sc3ccccc3n12 137088 SFDYHIHLFXDGFA-UHFFFAOYSA-N 342.405 4.145 5 50 EIBA CC(C)=CCC[C@H](C)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4981039 LRUBMTXSUMGFGM-KRWDZBQOSA-N 331.460 4.099 5 50 EIBA Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1Cl 859262 WCGVDTQONWCZAT-UHFFFAOYSA-N 325.151 4.462 5 50 EIBA COc1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] 5064274 JIWFSYHVFOEQMB-UHFFFAOYSA-N 344.411 4.148 5 50 EIBA Cc1c(CNc2ccccc2[C@H](O)C(F)(F)F)cccc1[N+](=O)[O-] 272158212 WXRCKPDVFZYUGH-HNNXBMFYSA-N 340.301 4.111 5 50 EIBA CC[C@@H](C)c1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1 464139 GRMMCKJJJOGQSV-CYBMUJFWSA-N 328.368 4.126 5 50 EIBA O=C(Nc1cccnc1)c1sc2c([N+](=O)[O-])cccc2c1Cl 4843220 IFMYMUUCBUOSBF-UHFFFAOYSA-N 333.756 4.110 5 50 EIBA Cc1c(C(=O)Nc2ccccc2N2CCCCC2)cccc1[N+](=O)[O-] 2826856 PDSGUHNAKGQPCN-UHFFFAOYSA-N 339.395 4.146 5 50 EIBA COC(=O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 4344388 IWMKLWJDGZMNGT-UHFFFAOYSA-N 346.338 4.057 5 50 EIBA Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)c(Cl)c1 265803 TVTZANIRORZXTO-UHFFFAOYSA-N 325.151 4.462 5 50 EIBA C[C@H](C(=O)Nc1ccccc1Br)c1ccc([N+](=O)[O-])cc1 472276 PLWLYGDFLUYICW-JTQLQIEISA-N 349.184 4.100 5 50 EIBA COc1cc(C)ccc1OCCOc1ccc([N+](=O)[O-])cc1Cl 2991277 JGWVCMUUDAHFOO-UHFFFAOYSA-N 337.759 4.023 5 50 EIBA Cc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] 102910 HOYRGXBONKTNCC-UHFFFAOYSA-N 325.151 4.462 5 50 EIBA Cc1nn(C(C)(C)C)cc1[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 155803401 CJFJTUMONCFEMU-STQMWFEESA-N 330.432 4.267 5 50 EIBA COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1 471985 WCVWOAIFCGTXJX-NSHDSACASA-N 348.786 4.307 5 50 EIBA O=C(Cc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1Cl 4387434 VFPVGYBKWFABPA-UHFFFAOYSA-N 325.151 4.083 5 50 EIBA CCOc1ccc(C(=O)OCC[C@H]2CCC[N@+]3(C)CCCC[C@@H]23)cc1 252460949 JKGLLRLAYPIYPO-AGHHOFFYSA-N 346.491 4.041 5 50 EIBA biogenic O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2ccccc2c1O 353954 LGCWJBIGWQYBJP-UHFFFAOYSA-N 342.738 4.359 5 50 EIBA O=C(O)c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 452848 KSLLBEMKXSLYGY-UHFFFAOYSA-N 327.214 4.104 5 50 EIBA CN(Cc1ccccc1)C(=O)c1cc2c(ccc3ccccc32)oc1=O 16576538 JXLIYCNBVRLKDJ-UHFFFAOYSA-N 343.382 4.218 5 50 EIBA Cc1ccc2ccccc2c1/C(=C1/OC(=O)c2ccccc21)[N+](=O)[O-] 293604 FPUSVPXMEAAJIA-HNENSFHCSA-N 331.327 4.421 5 50 EIBA Cc1c(C)c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(C)c2oc1=O 454739 SXDXRRRSAPNMNR-UHFFFAOYSA-N 339.347 4.205 5 50 EIBA O=C(Nc1ccccc1)c1ccccc1OCc1cccc([N+](=O)[O-])c1 471596 CCSNFGDBPDCBMT-UHFFFAOYSA-N 348.358 4.426 5 50 EIBA O=C(Nc1cccc([N+](=O)[O-])c1)c1c2c(nc3ccccc13)CCCC2 4542248 VYSHHRMIIZCIKC-UHFFFAOYSA-N 347.374 4.274 5 50 EIBA O=C(O)c1sccc1Oc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 2558740 HVBDTGQHZRFNFT-UHFFFAOYSA-N 333.243 4.166 5 50 EIBA O=C(Nc1nc2ccccc2s1)c1ccc(Cl)c([N+](=O)[O-])c1 102826 CATGXPLYYFNBHS-UHFFFAOYSA-N 333.756 4.110 5 50 EIBA Cc1cc(C(=O)Nc2nc3c(C)cccc3s2)ccc1[N+](=O)[O-] 2835409 DUZCHUURKRIONP-UHFFFAOYSA-N 327.365 4.074 5 50 EIBA COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccc(Cl)cc1F 5042030 GENGKSKBMCPASR-UHFFFAOYSA-N 339.710 4.040 5 50 EIBA Cc1cc(Cl)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 451820 JGODNJBVZJZVTI-UHFFFAOYSA-N 325.151 4.462 5 50 EIBA Cc1cccc(C(=O)Nc2nnc(C3CCCCC3)s2)c1[N+](=O)[O-] 463377 PZSCLZPYDXOVBT-UHFFFAOYSA-N 346.412 4.055 5 50 EIBA COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccccc1[N+](=O)[O-] 4841948 MVKOUMWIFYPNFT-UHFFFAOYSA-N 341.150 4.163 5 50 EIBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(Cl)ccc1Cl 434623 BCVAINLCSDEVLZ-UHFFFAOYSA-N 341.150 4.163 5 50 EIBA O=C(CSCc1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 3080958 CYNFQXUJTVWVKR-UHFFFAOYSA-N 336.800 4.120 5 50 EIBA O=[N+]([O-])c1ccc2[nH]c3c(c2c1)CCC[C@H]3N[C@@H]1C[C@H]2CC[C@H]1C2 584904381 VXWKNFYNAXLMPP-YDOWWZDFSA-N 325.412 4.232 5 50 EIBA Cc1cc(O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1Cl 466074 ALEYJIBXBLISNL-LBPRGKRZSA-N 348.786 4.271 5 50 EIBA CCCOc1ccc(/C=C/C(=O)Nc2ccccc2[N+](=O)[O-])cc1 4043977 CNOKULLMWOOYKJ-FMIVXFBMSA-N 326.352 4.036 5 50 EIBA O=C(N[C@H]1CCSc2ccccc21)c1c(Cl)cccc1[N+](=O)[O-] 171845794 FOSBVXHIKKCLBT-LBPRGKRZSA-N 348.811 4.215 5 50 EIBA O=C(Nc1ccc(C(=O)c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 357422 PSHFOCPULCDJGA-UHFFFAOYSA-N 346.342 4.078 5 50 EIBA Cc1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1[N+](=O)[O-] 470767 YTETWBLTQKHYCS-UHFFFAOYSA-N 336.800 4.287 5 50 EIBA COc1cccc(C(=O)Oc2ccc3c(c2)oc(=O)c2ccccc23)c1 472464 XFRDFFFYCMIRQU-UHFFFAOYSA-N 346.338 4.174 5 50 EIBA biogenic COC(=O)c1c(C)oc2ccc(OCc3cccc([N+](=O)[O-])c3)cc12 79399 GKSWWENXWUCHKA-UHFFFAOYSA-N 341.319 4.015 5 50 EIBA Cc1ccc(NC(=O)COc2ccc(C(C)C)cc2)c([N+](=O)[O-])c1 4819523 AVTREJMHGMHHRR-UHFFFAOYSA-N 328.368 4.044 5 50 EIBA CCCN(CC1CC1)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 5315716 ITVQAKZNYJEWKS-UHFFFAOYSA-N 347.293 4.148 5 50 EIBA in-vitro C[C@@H]1CCCN(c2ccc(NC(=O)c3cccs3)cc2[N+](=O)[O-])C1 4998362 XQHUDATVUBIBQC-GFCCVEGCSA-N 345.424 4.145 5 50 EIBA CCCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1[N+](=O)[O-] 187557 KHLACIUAQRXVJC-GOSISDBHSA-N 337.379 4.073 5 50 EIBA Cc1ccc(C)c(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)c1 459943 HCQGJZNOQFWSRN-UHFFFAOYSA-N 346.342 4.165 5 50 EIBA O=C(Nc1nccs1)c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 4866475 ZYXSRQTXGLWKNH-UHFFFAOYSA-N 349.755 4.217 5 50 EIBA O=Cc1ccc(Sc2ccc(Br)cc2)c([N+](=O)[O-])c1 153668 NIKKSXPLNKTMPF-UHFFFAOYSA-N 338.182 4.321 5 50 EIBA O=C(OCc1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 466819 IUPZIQHWHXEKMN-UHFFFAOYSA-N 326.135 4.259 5 50 EIBA Cc1ccc(C(=O)CSc2nc3ccccc3o2)cc1[N+](=O)[O-] 556272 GQOHAORFHZSJDU-UHFFFAOYSA-N 328.349 4.019 5 50 EIBA C[C@H]1CCCCN1c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 4865998 CZEFHUWMOHUSIF-AWEZNQCLSA-N 339.395 4.226 5 50 EIBA Cc1nnc(-c2ccc(Oc3ccc(Cl)cc3)c([N+](=O)[O-])c2)o1 536110 HQWYHBHMCRFREK-UHFFFAOYSA-N 331.715 4.399 5 50 EIBA O=C(CCNc1ccc(C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 2522082 ODVNPHXFPCGIOO-UHFFFAOYSA-N 338.285 4.299 5 50 EIBA O=C(Nc1ccccc1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 3996146 VQVPXVSXCUONNS-UHFFFAOYSA-N 332.359 4.365 5 50 EIBA O=[N+]([O-])c1ccc([C@H]2[C@@H]3C(c4ccccc4)=NC4(CCCCC4)N23)cc1 19732716 JCCUFLGXQUXPLE-ZXTYOHMPSA-N 347.418 4.483 5 50 EIBA O=[N+]([O-])c1ccc([C@@H]2[C@H]3C(c4ccccc4)=NC4(CCCC4)[N@]32)cc1 1848658982 SLIMGDFBHBKUFV-KNKQGSTJSA-N 333.391 4.093 5 50 EIBA O=[N+]([O-])c1ccc(Oc2ccc(F)cc2F)c(Br)c1 146392058 VCYLLKYPXKHIAJ-UHFFFAOYSA-N 330.084 4.428 5 50 EIBA CCCCOc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2C)c1 2897601 WEAHAECFYNJVEV-UHFFFAOYSA-N 328.368 4.334 5 50 EIBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc(Br)c1 129370 IJUDCZFDYQYUPE-BQYQJAHWSA-N 347.168 4.009 5 50 EIBA O=C(Nc1ccccc1N1CCCC1)c1cc([N+](=O)[O-])ccc1Cl 463952 JXCKNYVQDNGKEX-UHFFFAOYSA-N 345.786 4.101 5 50 EIBA Cc1ccnc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 22135485 NHSJCNLIGHMNSO-VQHVLOKHSA-N 349.346 4.210 5 50 EIBA CC[C@H](C)OC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 72219 SVLLAXAZDANVTD-QMMMGPOBSA-N 337.319 4.047 5 50 EIBA Cc1ccc(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 41789 NFKGYFDXAGGSSZ-UHFFFAOYSA-N 336.800 4.287 5 50 EIBA O=C1CS[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1cccc(Cl)c1 240196 PVWDAGSOHPSVGQ-HNNXBMFYSA-N 334.784 4.027 5 50 EIBA CCCNc1ccc([N+](=O)[O-])cc1C(=O)N1CCCc2ccccc21 6700981 HQXVXYITBVFUGV-UHFFFAOYSA-N 339.395 4.010 5 50 EIBA O=[N+]([O-])c1ccc(-c2ccc(S(=O)(=O)c3ccccc3)cc2)cc1 3129762 GCPJNIAAOILCJX-UHFFFAOYSA-N 339.372 4.095 5 50 EIBA Cc1ccc(OCC(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1C 4699587 QUAIJVNKBLIXJW-UHFFFAOYSA-N 348.786 4.191 5 50 EIBA O=[N+]([O-])c1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1F 38540701 CJOJDNRJDBWZKM-UHFFFAOYSA-N 336.685 4.213 5 50 EIBA in-vitro CC(=O)[C@H](C)Oc1cccc2c1ccc1c3c(c(=O)oc12)CCCC3 2873825 VCRKYJKGWJLJKM-ZDUSSCGKSA-N 336.387 4.181 5 50 EIBA CC[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(C)cc1 2762826 VXEAFDIBCBGORW-HNNXBMFYSA-N 332.787 4.438 5 50 EIBA CCCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 2989407 WIQFCRCROUNFKG-UHFFFAOYSA-N 334.759 4.289 5 50 EIBA C[C@H]1C[C@H](NC(=O)c2cc3ccccc3c3cccnc23)C[C@@H](C)O1 241446939 NPTVNMDQIPCEFO-MIFYACCESA-N 334.419 4.074 5 50 EIBA O=C(O)c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 4725269 UXRMSMIEYIXAKK-UHFFFAOYSA-N 327.214 4.104 5 50 EIBA CC(C)(C)c1ccc(NCc2cc3c(cc2[N+](=O)[O-])OCO3)cc1 49034 WBVGZTMKZMMBCJ-UHFFFAOYSA-N 328.368 4.233 5 50 EIBA Cc1cc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1Cl 2173643 FSAJBEGQVYZRMP-UHFFFAOYSA-N 325.151 4.462 5 50 EIBA CC(=O)c1sc2ccccc2c1OC(=O)c1ccccc1[N+](=O)[O-] 349777 KGGOFMCOHRYMOU-UHFFFAOYSA-N 341.344 4.231 5 50 EIBA Cc1c(NC(=O)COc2ccc(C(C)C)cc2)cccc1[N+](=O)[O-] 587191 CCHUIMQKOGPTBA-UHFFFAOYSA-N 328.368 4.044 5 50 EIBA O=C(Nc1ccc(F)c([N+](=O)[O-])c1)Nc1cccc2c(O)cccc12 1741739 JBEXAUGXKSOCJF-UHFFFAOYSA-N 341.298 4.237 5 50 EIBA CC1(C)CC(=O)c2sc(NSc3ccccc3[N+](=O)[O-])nc2C1 2584063 BEMNXJGOMKRPJZ-UHFFFAOYSA-N 349.437 4.326 5 50 EIBA C[C@H]1CCc2cc(F)ccc2N1C(=O)Nc1ccc([N+](=O)[O-])cc1 4700919 DSUONPYYEYDFTJ-NSHDSACASA-N 329.331 4.107 5 50 EIBA O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccccc1-c1ccccc1 264101 ZDWRKIWWIJYWFE-UHFFFAOYSA-N 344.326 4.062 5 50 EIBA Cc1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)c(OC(F)F)c1 611954 OEWVWBJPXLTPGJ-UHFFFAOYSA-N 337.282 4.149 5 50 EIBA Cc1ccc2cccc(OCCOc3ccc([N+](=O)[O-])c(C)c3)c2n1 2823689 JZRYQAPVGAKRBJ-UHFFFAOYSA-N 338.363 4.218 5 50 EIBA Cc1ccc(NC(=O)c2cccc(Cl)c2Cl)c([N+](=O)[O-])c1 5093884 DADQOQFGSAXNER-UHFFFAOYSA-N 325.151 4.462 5 50 EIBA COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1 471986 WCVWOAIFCGTXJX-LLVKDONJSA-N 348.786 4.307 5 50 EIBA O=c1oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc2c2ccccc12 45386 KSYFJMYHWWKFLY-UHFFFAOYSA-N 347.326 4.433 5 50 EIBA O=C(O)c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 4724617 QYMYSTUGDQHGKX-UHFFFAOYSA-N 327.214 4.104 5 50 EIBA CC(C)c1ccc(OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 303247 BWIVGVAVAOISGS-UHFFFAOYSA-N 339.351 4.347 5 50 EIBA CCCCNc1ccc(C(=O)Nc2cccc(OC)c2)cc1[N+](=O)[O-] 5065221 HGUNDGPUDYPSIV-UHFFFAOYSA-N 343.383 4.068 5 50 EIBA O=C(NC(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 38982 QOFQAPLKOBQCKQ-UHFFFAOYSA-N 332.359 4.114 5 50 EIBA O=[N+]([O-])c1ccc(N2CCCC[C@@H]2c2cc[nH]n2)nc1-c1ccccc1 241588362 PCKCJNSUOCOEDP-MRXNPFEDSA-N 349.394 4.112 5 50 EIBA C[C@H](Oc1cccc(Cl)c1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 471512 BKOKWRIMXFWMAN-JTQLQIEISA-N 345.742 4.438 5 50 EIBA C[C@H]1C[C@H](Nc2c([N+](=O)[O-])c(=O)oc3ccccc23)CC(C)(C)C1 4833892 XXFBVGMMIROTHC-RYUDHWBXSA-N 330.384 4.328 5 50 EIBA CN(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc12 455369 BJVLQOGKAFQVQU-UHFFFAOYSA-N 335.363 4.066 5 50 EIBA O=[N+]([O-])c1cnc(NCCOc2cccc3ccccc23)c(Cl)c1 170633262 ZKJFYALBUAAQFC-UHFFFAOYSA-N 343.770 4.287 5 50 EIBA Cc1cc([N+](=O)[O-])cc(N)c1OCc1ccc(Cl)c(Cl)c1 334160568 HSAXGHWAQWJICR-UHFFFAOYSA-N 327.167 4.371 5 50 EIBA Cc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 4588419 WOZPEDMKIWFUOK-UHFFFAOYSA-N 342.395 4.218 5 50 EIBA COc1ccc(Cl)cc1NC(=S)Nc1ccc([N+](=O)[O-])cc1 3902511 QOBNBCISSSYVCZ-UHFFFAOYSA-N 337.788 4.066 5 50 EIBA CC(C)c1ccc(-c2nc(N)c3c(=O)oc4ccccc4c3n2)cc1 5074012 PNABKGTYWYGSRG-UHFFFAOYSA-N 331.375 4.109 5 50 EIBA Cc1cccc(OCCCC(=O)Nc2ccccc2[N+](=O)[O-])c1C 4368148 PAMSQVWRFAIWNV-UHFFFAOYSA-N 328.368 4.009 5 50 EIBA O=[N+]([O-])c1ccc(N2CCC(Cc3ccccc3)CC2)nc1Cl 220971668 BQAZXJATOCMPTR-UHFFFAOYSA-N 331.803 4.102 5 50 EIBA CCOc1ccc(/C=C/C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 301763 MSHYNCFWFLHCOL-BJMVGYQFSA-N 346.770 4.299 5 50 EIBA O=C(COc1ccc(-c2ccccc2)cc1)Nc1ccccc1[N+](=O)[O-] 4037730 QIKXUMQXLSSRNC-UHFFFAOYSA-N 348.358 4.279 5 50 EIBA O=[N+]([O-])c1cc(Br)c(F)c(F)c1NC1CCCCC1 82046486 IOWVSUZCYPHGOP-UHFFFAOYSA-N 335.148 4.380 5 50 EIBA in-vitro O=[N+]([O-])c1cccc(Nc2ncnc3sc4c(c23)CCCC4)c1 144690 VDIOIFZLBZPVHB-UHFFFAOYSA-N 326.381 4.222 5 50 EIBA O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1ccc([N+](=O)[O-])cc1 4173277 BPTYFWTZWZMTPV-RUDMXATFSA-N 336.269 4.266 5 50 EIBA Cc1cc(C)c(OCC(=O)Nc2ccc(C(C)C)cc2)c([N+](=O)[O-])c1 569586 CZJBMRMOJJCMHO-UHFFFAOYSA-N 342.395 4.353 5 50 EIBA CC(C)(C)NC(=O)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 1386997 HQMUXLRASKQXRC-UHFFFAOYSA-N 330.409 4.274 5 50 EIBA Cc1ccc(Cl)cc1Nc1cc(Cl)c2nonc2c1[N+](=O)[O-] 4131728 UYPPZDBHEFQPQJ-UHFFFAOYSA-N 339.138 4.490 5 50 EIBA COc1ccc(NC(=O)[C@H](C)Sc2ccc(C)cc2)c([N+](=O)[O-])c1 4831981 AHYZXHCTAOKODE-LBPRGKRZSA-N 346.408 4.031 5 50 EIBA O=[N+]([O-])c1ccc(-c2nc(-c3cccc(Br)c3)no2)cc1 4867698 WRZISWIVTINBQM-UHFFFAOYSA-N 346.140 4.074 5 50 EIBA O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/c2ccc(Cl)cc2)c([N+](=O)[O-])c1 104045472 SSHFAPSAKDWQOY-ZZXKWVIFSA-N 349.686 4.235 5 50 EIBA CCc1cc(=O)oc2c(C)c(OCc3ccc([N+](=O)[O-])cc3)ccc12 454689 VQQOCEUWAMTUSN-UHFFFAOYSA-N 339.347 4.151 5 50 EIBA COc1ccc(Cl)cc1NC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 1741681 UHXFEUQPTULQQB-UHFFFAOYSA-N 339.710 4.040 5 50 EIBA CCOc1ccc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1Cl 5093664 QZPMFICEAMRXEH-UHFFFAOYSA-N 334.759 4.208 5 50 EIBA COc1ccc(Cl)cc1NC(=O)Nc1cccc([N+](=O)[O-])c1C 609222 DXCJPVMSHPSMOJ-UHFFFAOYSA-N 335.747 4.209 5 50 EIBA CCCOc1ccc(C(=O)OC[C@@H]2CCC[N@+]3(C)CCCC[C@H]23)cc1 252441460 WRNCXQUMXVISMV-DWLFOUALSA-N 346.491 4.041 5 50 EIBA biogenic,in-vitro CCOc1ccc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 317424 QVBIDPWIXQXXPF-ONNFQVAWSA-N 346.770 4.299 5 50 EIBA CC[C@@H](Oc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 474492 SBPYICXMRAAXBN-OAHLLOKOSA-N 334.759 4.044 5 50 EIBA COc1c2cccc(C(C)=O)c2c(OC)c2cccc(OC(C)=O)c12 3122122 RYPSCCGUWCACTA-UHFFFAOYSA-N 338.359 4.138 5 50 EIBA O=C(Oc1cccc2cccnc12)c1ccc([N+](=O)[O-])cc1Cl 321517 ZCRATRSOYRPASO-UHFFFAOYSA-N 328.711 4.016 5 50 EIBA CCCCN(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1 4814297 GESPBZBLNMZIQW-UHFFFAOYSA-N 328.368 4.050 5 50 EIBA O=[N+]([O-])c1cccc(F)c1OCc1nnc(-c2ccc(Cl)cc2)o1 185020502 OSPSVHAMOSBERZ-UHFFFAOYSA-N 349.705 4.016 5 50 EIBA O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc(F)c([N+](=O)[O-])c1 2156167 ACGBYVSAHKAUHM-UHFFFAOYSA-N 343.236 4.397 5 50 EIBA O=[N+]([O-])c1ccc(-c2noc(C34CC5CC(CC(C5)C3)C4)n2)cc1 4264170 QKDFDVDJKTXKRZ-UHFFFAOYSA-N 325.368 4.113 5 50 EIBA O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc2c1C(=O)c1ccccc1-2 4745156 VCDSDZMZMOPOKF-UHFFFAOYSA-N 344.326 4.059 5 50 EIBA C[C@@H]1CCCCN1c1ccc(C(=O)NC2CCCCC2)cc1[N+](=O)[O-] 5069346 NDCGOBNIFBKYDU-CQSZACIVSA-N 345.443 4.036 5 50 EIBA CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1Cl 2868588 AISJSTCMPJYGLA-UHFFFAOYSA-N 334.759 4.208 5 50 EIBA O=[N+]([O-])c1ccc(-c2nc(NCc3ccco3)c3ccccc3n2)cc1 72020 QOOZAJKRBANUND-UHFFFAOYSA-N 346.346 4.410 5 50 EIBA CCc1ccccc1N1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O 466741 FVGDPHFESNEKQK-UHFFFAOYSA-N 346.342 4.111 5 50 EIBA Cc1ccc(C)c(OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1C 144590 OZBMNDHZVWQOTF-UHFFFAOYSA-N 348.786 4.191 5 50 EIBA Cc1cc(NC(=O)c2cccc(Br)c2)c([N+](=O)[O-])cc1C 4873541 LUFGZKZZTCJAJJ-UHFFFAOYSA-N 349.184 4.226 5 50 EIBA COc1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2Cl)cc1 4989734 QWJCEWHENCVZMR-UHFFFAOYSA-N 341.150 4.163 5 50 EIBA CC1=CC(C)(C)Nc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc21 69163 BYJKZOHPHYKAQH-UHFFFAOYSA-N 338.363 4.421 5 50 EIBA Cc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc([N+](=O)[O-])cc2)o1 3091285 QRCKKKSXAWAKBS-UHFFFAOYSA-N 325.280 4.133 5 50 EIBA Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2ccccc2O)o1 449896 PTKKSXMXTNDKTE-UHFFFAOYSA-N 338.319 4.121 5 50 EIBA O=[N+]([O-])c1cccc(CSc2cc3c(nn2)-c2ccccc2CC3)c1 1390182 GLROQDFXGUFQTB-UHFFFAOYSA-N 349.415 4.443 5 50 EIBA O=C(c1ccccc1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 4180001 BTXFDRRJZKAPQG-UHFFFAOYSA-N 332.359 4.442 5 50 EIBA Cc1c(Cl)c(Br)cc(Br)c1[N+](=O)[O-] 36532859 FRJPFDXIGQQIFX-UHFFFAOYSA-N 329.375 4.082 5 50 EIBA CN(C)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc12 455337 PZIAAKCLCNCARJ-UHFFFAOYSA-N 335.363 4.066 5 50 EIBA COc1ccc(OC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c(Cl)c1 2166223 TUJLESUEXSOXEX-UHFFFAOYSA-N 340.694 4.007 5 50 EIBA CCOc1ccc([C@H](C)NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1 5042026 ZTTQRCWCOPGRHU-LBPRGKRZSA-N 345.424 4.041 5 50 EIBA O=C(c1ccccc1)c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1 7968515 USTFSRJCBDIXON-UHFFFAOYSA-N 347.326 4.045 5 50 EIBA CCN(CC)c1cc(N2CCc3ccccc3C2)c([N+](=O)[O-])cc1F 4168618 SVQQQGIMWKGDSN-UHFFFAOYSA-N 343.402 4.143 5 50 EIBA O=C(CCc1ccc(-c2ccccc2)o1)Nc1ccccc1[N+](=O)[O-] 4868259 BUKXQBPAGYXMOR-UHFFFAOYSA-N 336.347 4.426 5 50 EIBA O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 5059866 WAFPKSWPOBGWQA-UHFFFAOYSA-N 326.135 4.259 5 50 EIBA O=[N+]([O-])c1ccc(NCC2(O)CCCCCC2)c(C(F)(F)F)c1 170630520 GRFXDGISWRGTLV-UHFFFAOYSA-N 332.322 4.111 5 50 EIBA CC[C@@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)C[C@@H](C)O1 225560380 IPSBOUYJXZKEIU-GDBMZVCRSA-N 334.419 4.028 5 50 EIBA COC(=O)N(C)c1ccc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc1 225539034 BOLIWUDMGWBKFX-UHFFFAOYSA-N 335.747 4.194 5 50 EIBA Cc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1C 4701655 XLFGZKSNBLRCLB-UHFFFAOYSA-N 338.407 4.433 5 50 EIBA C[C@H](NC(=O)c1cc2c(ccc3ccccc32)oc1=O)c1ccccc1 5093835 BVYYQHPLJQOBCW-AWEZNQCLSA-N 343.382 4.437 5 50 EIBA CCCC[C@@H](OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(C)(C)C 4824517 BGCOEMGTRKPPQQ-CQSZACIVSA-N 338.360 4.265 5 50 EIBA CCOc1ccc(C(=O)Nc2ccccc2C(C)C)cc1[N+](=O)[O-] 359493 SOHZFLUWDGWOBD-UHFFFAOYSA-N 328.368 4.369 5 50 EIBA O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccc([N+](=O)[O-])o1 452375 JRWQUEBJMZKBRG-UHFFFAOYSA-N 349.774 4.084 5 50 EIBA COCc1ccc(NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1 193648940 NGTWZODHISGURY-UHFFFAOYSA-N 329.356 4.002 5 50 EIBA Cc1ccc([C@H](C)NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(C)c1 371418 WIDKUDGZQLRHNI-LBPRGKRZSA-N 332.787 4.356 5 50 EIBA O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2ccccc2c1O 4774857 VYLPTAIYPFRUCX-UHFFFAOYSA-N 342.738 4.359 5 50 EIBA Cc1c(Cl)ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1Cl 4843133 CNGNEWKSJUUTPK-UHFFFAOYSA-N 325.151 4.462 5 50 EIBA O=C(O[C@@H]1C[C@@]23CC=CC[C@]12CCCC3)c1ccc([N+](=O)[O-])cc1 230110386 GHVXUURYWQXWHI-NEWSRXKRSA-N 327.380 4.421 5 50 EIBA C[C@H](N=c1[nH]c(C2CC2)nc2ccccc12)c1cccc([N+](=O)[O-])c1 1875321497 KURFWTWQORGOLC-LBPRGKRZSA-N 334.379 4.010 5 50 EIBA CC1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)nc3ccccc23)CC1 72046 DRIKLQHSQLBMOJ-UHFFFAOYSA-N 348.406 4.441 5 50 EIBA CCSc1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccccc1 468729 FGZTWRSNOAFVPZ-UHFFFAOYSA-N 340.408 4.014 5 50 EIBA O=[N+]([O-])c1cnc(Cl)nc1NN(c1ccccc1)c1ccccc1 4088080 GXLXOCRHLYEKKL-UHFFFAOYSA-N 341.758 4.203 5 50 EIBA CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(F)c1 4828863 DCIGKYFEBMHEAG-UHFFFAOYSA-N 337.738 4.446 5 50 EIBA O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc([N+](=O)[O-])o1 308342 VKEUMNRLCFKCID-UHFFFAOYSA-N 334.637 4.112 5 50 EIBA O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/c2cccc(Cl)c2)c([N+](=O)[O-])c1 104045402 XVKIFMLWIRTEFU-SNAWJCMRSA-N 349.686 4.235 5 50 EIBA CC(C)(C)OC(=O)N1CC=C(c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 169677490 LTESQFJZJKEXDH-UHFFFAOYSA-N 343.383 4.100 5 50 EIBA COc1cc2ccccc2cc1C(=O)Nc1cc([N+](=O)[O-])ccc1F 331100 ZWKDKASEHPYMGV-UHFFFAOYSA-N 340.310 4.148 5 50 EIBA Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](C)c2ccccc2Cl)c1F 170610058 WKBYHNOWDUKKKW-JTQLQIEISA-N 336.750 4.187 5 50 EIBA COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1 477229 ZKCBCRKEAVPLOH-UHFFFAOYSA-N 340.379 4.054 5 50 EIBA Cc1ccc(C(C)(C)C)c(OCC(=O)Nc2ccccc2[N+](=O)[O-])c1 3957269 YFBHSDCNXYRHFC-UHFFFAOYSA-N 342.395 4.218 5 50 EIBA O=[N+]([O-])c1ccc2nc(-c3ccccc3)n(OCc3ccccc3)c2c1 1389411 STSSOJRCXMXBAC-UHFFFAOYSA-N 345.358 4.240 5 50 EIBA Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCOc1ccc(Cl)cc1 1773673 BZDJNXXPQYPXOV-UHFFFAOYSA-N 348.786 4.354 5 50 EIBA O=[N+]([O-])c1cccc(-c2nnc(-c3ccc(Br)cc3)o2)c1 281307 WMRQAXSKXRUMNQ-UHFFFAOYSA-N 346.140 4.074 5 50 EIBA CC[C@H](C)c1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1 464140 GRMMCKJJJOGQSV-ZDUSSCGKSA-N 328.368 4.126 5 50 EIBA O=C(CSc1nc2cc(Cl)ccc2o1)c1ccc([N+](=O)[O-])cc1 617592 IZXFCMVHDVWAEX-UHFFFAOYSA-N 348.767 4.364 5 50 EIBA COc1cc(Cl)c(C)cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 858508 MAOOTAVDYDBBPI-UHFFFAOYSA-N 334.759 4.126 5 50 EIBA O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1ccc(CO)cc1 387655306 FNHHAKMAKRAEPL-UHFFFAOYSA-N 329.299 4.257 5 50 EIBA C[C@@H]1Cc2ccccc2N1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 17068163 QCCXSFWIDSDTIS-SNVBAGLBSA-N 331.759 4.231 5 50 EIBA O=C(Nc1ccccc1S)c1cc2c(ccc3ccccc32)oc1=O 4652990 AVRLBDZXOAAWQX-UHFFFAOYSA-N 347.395 4.487 5 50 EIBA O=C(Nc1ccc(F)cc1F)c1ccc(-c2ccccc2[N+](=O)[O-])o1 308273 LQYOKBJREYWXEF-UHFFFAOYSA-N 344.273 4.385 5 50 EIBA Cc1ccc(C)c(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 4983499 FEPHQZIOJPXDNC-UHFFFAOYSA-N 339.395 4.064 5 50 EIBA COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1cccc2ccccc12 45829 RIIGEDZHCISNPC-FMIVXFBMSA-N 348.358 4.409 5 50 EIBA CC(C)(C)c1ccc(O)c(NC(=S)Nc2cccc([N+](=O)[O-])c2)c1 17072005 RKANFQUWAAIVRT-UHFFFAOYSA-N 345.424 4.407 5 50 EIBA O=[N+]([O-])c1cc(Br)c(OCc2ccccc2)cc1F 261493496 CEZKOFUCIIFJBC-UHFFFAOYSA-N 326.121 4.075 5 50 EIBA O=C(O)c1cccc(Oc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 84257 GZPGTEAZLDBVSZ-UHFFFAOYSA-N 327.214 4.104 5 50 EIBA COc1cccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 542836 CWZFEBPRYUEDJI-UHFFFAOYSA-N 338.319 4.116 5 50 EIBA COc1cc(C)ccc1OCCCOc1ccc(C)cc1[N+](=O)[O-] 2986802 JDIJTIXJWJAQEC-UHFFFAOYSA-N 331.368 4.068 5 50 EIBA O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Nc1ccccc1 4620025 DUMAFIRAMXVMFL-UHFFFAOYSA-N 327.218 4.265 5 50 EIBA Cc1nnc(-c2ccc(Oc3ccc(C)c(C)c3)c([N+](=O)[O-])c2)o1 587048 CXGKBIKEBNIOLE-UHFFFAOYSA-N 325.324 4.362 5 50 EIBA CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 442406 OCPSSCHBODHMDG-HNNXBMFYSA-N 334.759 4.044 5 50 EIBA C[C@H]1CCCCN1C(=O)CCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 4542696 AJJYHMXMDOUONT-AWEZNQCLSA-N 342.395 4.188 5 50 EIBA Cc1cc(Cl)ccc1OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 122499 QXKIVLXKPHLZOH-UHFFFAOYSA-N 326.135 4.429 5 50 EIBA CCOc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1[N+](=O)[O-] 2991946 MWSCREQANDHGLW-UHFFFAOYSA-N 334.759 4.208 5 50 EIBA Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1cccc(Cl)c1 5013774 RFAPHCZHQRGYIV-UHFFFAOYSA-N 336.800 4.287 5 50 EIBA COc1cc([N+](=O)[O-])ccc1NC(=S)Nc1ccccc1SC 5042003 QSFHOEYASDXLIY-UHFFFAOYSA-N 349.437 4.134 5 50 EIBA Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 4014299 INKBUTIPPIBYJB-UHFFFAOYSA-N 339.395 4.146 5 50 EIBA C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 464292 XTYCOVQAROQMMO-CYBMUJFWSA-N 342.395 4.298 5 50 EIBA O=C(Nc1ccc(Cl)cc1F)c1ccc([N+](=O)[O-])c(Cl)c1 476682 PFALYOLLRMDTNL-UHFFFAOYSA-N 329.114 4.293 5 50 EIBA Cc1ccccc1-c1nnc(SCc2ccc([N+](=O)[O-])cc2)o1 463772 ZCPXAPFKQNAHEY-UHFFFAOYSA-N 327.365 4.246 5 50 EIBA C[C@@H]1C[C@H](Nc2c([N+](=O)[O-])c(=O)oc3ccccc23)CC(C)(C)C1 4833891 XXFBVGMMIROTHC-NEPJUHHUSA-N 330.384 4.328 5 50 EIBA O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@@H]1/C=C/c1cccs1 373403992 ARWHFGFPZRHZSB-BTDICHCPSA-N 334.422 4.036 5 50 EIBA CC[C@@H](C)c1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(O)c1 450163 JPJCWCKBQCXVJY-UTSBKAFOSA-N 340.379 4.466 5 50 EIBA O=[N+]([O-])c1ccc(C(=S)N2CCC(Cc3ccccc3)CC2)cc1 611251 PAKQAHNCXZCIGZ-UHFFFAOYSA-N 340.448 4.225 5 50 EIBA aggregator Cc1cc([N+](=O)[O-])ccc1NC(=O)CCCOc1ccc(Cl)cc1 4043747 YKSXZIOSNBYADJ-UHFFFAOYSA-N 348.786 4.354 5 50 EIBA CCOc1ccc([C@@H]2Oc3ccccc3C=C2[N+](=O)[O-])cc1OCC 91559 HGMABLHBLUHIHZ-IBGZPJMESA-N 341.363 4.235 5 50 EIBA O=[N+]([O-])c1cccc(-c2noc(C34CC5CC(CC(C5)C3)C4)n2)c1 4723223 HUADSARCUKXFEF-UHFFFAOYSA-N 325.368 4.113 5 50 EIBA COc1cc(Cl)c(C)cc1NC(=O)c1cccc([N+](=O)[O-])c1C 613986 YWMCRLBAWMDQNF-UHFFFAOYSA-N 334.759 4.126 5 50 EIBA O=C(OCc1cccc([N+](=O)[O-])c1)C(c1ccccc1)c1ccccc1 466927 JYIGBOUGBZYRQL-UHFFFAOYSA-N 347.370 4.470 5 50 EIBA CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C)c1 4998216 BFCYDLCGYLDICW-UHFFFAOYSA-N 327.384 4.002 5 50 EIBA CCCCOc1cccc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c1 5094461 ADJNGVDGPWQUNR-UHFFFAOYSA-N 328.368 4.334 5 50 EIBA Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)cccc1[N+](=O)[O-] 259081 ATRMCGMFUQBVPN-UHFFFAOYSA-N 325.151 4.462 5 50 EIBA O=[N+]([O-])c1ccc2ncnc(Nc3cccc(C(F)(F)F)c3)c2c1 4054378 FKOOZPWZRRDRTK-UHFFFAOYSA-N 334.257 4.300 5 50 EIBA CC[C@@H](C)c1ccccc1NC(=O)COc1ccccc1[N+](=O)[O-] 464136 BQOAGZUZRVRMSN-CYBMUJFWSA-N 328.368 4.126 5 50 EIBA O=C(c1ccc([N+](=O)[O-])cc1)N1CCS[C@@H]1c1ccccc1Cl 68998 VGEWQWGHRRYTBH-MRXNPFEDSA-N 348.811 4.136 5 50 EIBA O=[N+]([O-])c1ccc([C@H]2[C@H]3C(c4ccccc4)=NC4(CCCC4)[N@@]32)cc1 1857622169 SLIMGDFBHBKUFV-NNMXDRDESA-N 333.391 4.093 5 50 EIBA O=C(c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)c([N+](=O)[O-])c1 1599890 SOJWEAJNHAWZTG-UHFFFAOYSA-N 341.106 4.041 5 50 EIBA COc1ccc(Cl)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 442651 HQOFUKXAFWEZDF-UHFFFAOYSA-N 341.150 4.163 5 50 EIBA O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(Br)cc1 463385 XRAYXFLGWSILDR-BJMVGYQFSA-N 347.168 4.009 5 50 EIBA CN(C(=O)C[C@H]1C=CCC1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 180283956 RJYDTWQMHRNQDP-LBPRGKRZSA-N 343.408 4.037 5 50 EIBA O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccccc1[N+](=O)[O-] 101871 ROVGCZYTXUUTDR-UHFFFAOYSA-N 348.358 4.426 5 50 EIBA CCOc1cc(C=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 453553 UFVGMGSQIXVYEN-UHFFFAOYSA-N 335.743 4.038 5 50 EIBA Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)cccc1[N+](=O)[O-] 43191275 FFQYZAWDYAOLHS-UHFFFAOYSA-N 326.135 4.429 5 50 EIBA O=C(O[C@@]12C[C@H]3CC[C@@]1(C3)[C@H]1CC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 101140437 LDNQCFDYKXICET-HODQNMRISA-N 327.380 4.111 5 50 EIBA O=C(Nc1cccc(Cl)c1N1CCCCC1)c1ccc([N+](=O)[O-])o1 556494 BDNUPMUAXKYCET-UHFFFAOYSA-N 349.774 4.084 5 50 EIBA O=[N+]([O-])c1ccc(N2CCCCC2)cc1NCCc1ccccc1 3894083 MYIPYEBDHZWZOO-UHFFFAOYSA-N 325.412 4.240 5 50 EIBA C[C@H]1C[C@@H](c2cccnc2)N(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 302154599 VKRJHQONSANXIJ-UGSOOPFHSA-N 334.379 4.126 5 50 EIBA O=C(Nc1ccccc1OC(F)F)c1ccc([N+](=O)[O-])cc1Cl 1864481 LFWIEMMKNIMNCK-UHFFFAOYSA-N 342.685 4.102 5 50 EIBA Cc1ccc([C@@H](C)NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1C 2764152 VZVUUFRJNRCJEH-GFCCVEGCSA-N 332.787 4.356 5 50 EIBA CCCCNc1ccc([N+](=O)[O-])cc1C(=O)N(C)c1ccccc1 5064949 HTHARNGGNPNUGJ-UHFFFAOYSA-N 327.384 4.083 5 50 EIBA O=[N+]([O-])c1ccc(-c2ccc(COc3ccccc3[N+](=O)[O-])o2)cc1 6474150 OBKBZTBHBXVOFB-UHFFFAOYSA-N 340.291 4.342 5 50 EIBA O=[N+]([O-])c1ccc(O)cc1CSC1=Nc2ccccc2CS1 253424556 HWRPODBKEARSJV-UHFFFAOYSA-N 332.406 4.468 5 50 EIBA O=C(Nc1ccccc1N1CCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 2833061 HULGGAJCTVIPGT-UHFFFAOYSA-N 345.786 4.101 5 50 EIBA O=[N+]([O-])c1c(SCc2ccc(Cl)cc2)nc2sccn12 1395907 YPARCXSUJZBOND-UHFFFAOYSA-N 325.802 4.250 5 50 EIBA O=[N+]([O-])c1ccc(N2CCCCC2)cc1N1CCc2ccccc2C1 4137916 XSQNPYFKJXWKHS-UHFFFAOYSA-N 337.423 4.148 5 50 EIBA O=C(OCCC1=CCCCCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 45070367 CRTJKDSLINMVLY-UHFFFAOYSA-N 348.355 4.331 5 50 EIBA COC(=O)c1ccc(-c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 3883629 XDRXACUJLBOGLZ-UHFFFAOYSA-N 325.242 4.067 5 50 EIBA O=[N+]([O-])c1ccc(OCCOCc2ccccc2)c(C(F)(F)F)c1 217546160 ZCPXSKDYYCNFSJ-UHFFFAOYSA-N 341.285 4.209 5 50 EIBA Cc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 101982 LSUURGDLVVFGBE-UHFFFAOYSA-N 346.386 4.423 5 50 EIBA CCc1ccc(OCCCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 4043749 YIWMWGZLFIJITR-UHFFFAOYSA-N 342.395 4.263 5 50 EIBA CCN(CC)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c(C)c1 557452 NTJMRCJXAABJII-UHFFFAOYSA-N 341.411 4.310 5 50 EIBA COc1ccccc1Sc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1 2597998 NRARLLMYBAMNCC-UHFFFAOYSA-N 327.365 4.145 5 50 EIBA O=[N+]([O-])c1cc(C(F)(F)F)ccc1-n1cnc(Cl)c1Cl 160953 RGHMKNKYGNLLRK-UHFFFAOYSA-N 326.061 4.106 5 50 EIBA Cc1cc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)ccc1[N+](=O)[O-] 2868682 APAHKBUNWMOUCM-UHFFFAOYSA-N 341.150 4.168 5 50 EIBA CCCOc1ccc(/C=C/C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 4043985 SBPNZVPERKDITA-YRNVUSSQSA-N 340.379 4.344 5 50 EIBA C[N@@+]1(Cc2ccccc2)OC[C@@H]2COc3ccc4ccccc4c3[C@@H]21 250858208 SCTKXQCUZBTNBI-NMNUPHIUSA-N 332.423 4.482 5 50 EIBA O=C(c1ccc(Cl)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 4575207 OTFBGBNYRBMYIF-UHFFFAOYSA-N 344.798 4.470 5 50 EIBA COc1ccc(N(C(=O)c2ccccc2[N+](=O)[O-])[C@H](C)C2CC2)cc1 283615 DZQOIWAYOUNVKQ-CYBMUJFWSA-N 340.379 4.049 5 50 EIBA C[C@H]1CCCCN1C(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 4856705 OFJIPFJUTHIDDO-AWEZNQCLSA-N 340.379 4.402 5 50 EIBA O=C(Nc1ccc(Oc2cccnc2)cc1)c1cccc([N+](=O)[O-])c1 313164 KMABZDZINDQXQD-UHFFFAOYSA-N 335.319 4.034 5 50 EIBA O=C(Oc1ccc2c(c1)oc(=O)c1ccccc12)c1ccc(F)cc1 47732 AUFSCLYWHORMCV-UHFFFAOYSA-N 334.302 4.305 5 50 EIBA O=C(NCc1cccc(Oc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 314343 MQESUZXXTWVWDR-UHFFFAOYSA-N 348.358 4.317 5 50 EIBA Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)cccc1[N+](=O)[O-] 259087 HVIUROOQVICQER-UHFFFAOYSA-N 325.151 4.462 5 50 EIBA O=C(Nc1cccc2cccnc12)c1ccc([N+](=O)[O-])cc1Cl 310048 CVLFIPUTXVZSQM-UHFFFAOYSA-N 327.727 4.049 5 50 EIBA O=[N+]([O-])c1cccc(-c2csc([C@@H]3COc4ccccc4O3)n2)c1 438653 OCAQDTLWUHHCOK-INIZCTEOSA-N 340.360 4.231 5 50 EIBA C[C@@H](NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1 620113 OAQNPDOPPMUYAI-CYBMUJFWSA-N 336.347 4.346 5 50 EIBA Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1Cl 438796 DIHDPSHSOBZZNY-UHFFFAOYSA-N 325.151 4.462 5 50 EIBA O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Nc1ccc(F)cc1 4322822 ZKRPFPRQKJGHRA-UHFFFAOYSA-N 345.208 4.405 5 50 EIBA O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccccc1-c1ccncc1 110399244 IGHFMQDUFBDKEL-MDZDMXLPSA-N 345.358 4.309 5 50 EIBA C[C@H](NCc1ccc([N+](=O)[O-])c(F)c1)c1nc(C(C)(C)C)cs1 328589570 QOTPSQKMRHJSNQ-JTQLQIEISA-N 337.420 4.339 5 50 EIBA O=[N+]([O-])c1c(NCCCCc2nccs2)ccc2cnccc12 2325758225 IMCPHQTWVRIAKL-UHFFFAOYSA-N 328.397 4.034 5 50 EIBA Cc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)nc(C)c2c1 69235 CMYGWHJLBFTZJO-UHFFFAOYSA-N 325.393 4.447 5 50 EIBA CN(C(=O)c1cc(Cl)cc(Cl)c1)c1ccc([N+](=O)[O-])cc1 5525328 CGKPDHLBRGFAQR-UHFFFAOYSA-N 325.151 4.178 5 50 EIBA O=C(Nc1cccc2c1CCCC2)c1ccc(Cl)c([N+](=O)[O-])c1 224311 NLFHDAWGSMIYBF-UHFFFAOYSA-N 330.771 4.379 5 50 EIBA CCCOc1cc(NC(C)(C)C)c([N+](=O)[O-])cc1Br 74934290 IGJKOHOAQWXYTN-UHFFFAOYSA-N 331.210 4.357 5 50 EIBA in-vitro Cc1cc(Cl)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 271550 PCYLDNPMCDDEGE-UHFFFAOYSA-N 325.151 4.462 5 50 EIBA C[C@@H](C1CC1)N(C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 283622 DQMRGQPDYBWDAY-ZDUSSCGKSA-N 325.368 4.432 5 50 EIBA Cc1ccccc1N1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O 25572713 IZQUYIAHZOQSRD-XNTDXEJSSA-N 340.360 4.144 5 50 EIBA O=[N+]([O-])c1ccc2[nH]c3c(c2c1)CCC[C@@H]3N[C@@H]1C[C@H]2CC[C@H]1C2 584904379 VXWKNFYNAXLMPP-GNTOHDJUSA-N 325.412 4.232 5 50 EIBA CC1=CC(C)(C)N(CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 208752 YKIHXRWCJMDZCI-UHFFFAOYSA-N 336.391 4.480 5 50 EIBA O=C(c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1)N1CCCC1 472061 NTGYPULMSTZNHM-UHFFFAOYSA-N 346.770 4.277 5 50 EIBA CC(=O)Nc1ccc(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 4981623 KJDVOEFQEGCCHA-UHFFFAOYSA-N 339.273 4.316 5 50 EIBA Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(C(C)C)cc1 860375 WWEXPUVSHJEXBZ-UHFFFAOYSA-N 328.368 4.044 5 50 EIBA O=C(Nc1cccc([N+](=O)[O-])c1)Nc1ccccc1C(F)(F)F 1753320 IRCZQMQTJAJVPJ-UHFFFAOYSA-N 325.246 4.258 5 50 EIBA O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)Cc1ccccc1 3898887 GFMVTPLWRMCLDL-UHFFFAOYSA-N 346.386 4.437 5 50 EIBA O=C(Nc1ccccc1)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 4983558 BNLYFMLSVFCYNJ-UHFFFAOYSA-N 339.395 4.228 5 50 EIBA C[C@@H](Oc1cccc(Cl)c1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 471513 BKOKWRIMXFWMAN-SNVBAGLBSA-N 345.742 4.438 5 50 EIBA O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccccc1-c1ccccc1 267250 PMSFQSAVLXWYSY-UHFFFAOYSA-N 344.326 4.062 5 50 EIBA C[C@H]1CCCN(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)C1 435210 AIIBDHVBUAAFRX-VIFPVBQESA-N 338.816 4.335 5 50 EIBA C[C@@H](C(=O)Nc1ccccc1Br)c1ccc([N+](=O)[O-])cc1 472277 PLWLYGDFLUYICW-SNVBAGLBSA-N 349.184 4.100 5 50 EIBA COc1ccc(Cl)cc1Nc1c([N+](=O)[O-])c(=O)oc2ccccc12 4833756 YZPITIBKOYMFST-UHFFFAOYSA-N 346.726 4.107 5 50 EIBA Cc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] 102008 BGKONWIBMGUCQH-UHFFFAOYSA-N 325.151 4.462 5 50 EIBA CCOc1ccc(OCCCCOc2ccccc2[N+](=O)[O-])cc1 4702028 UZLQZBAJLPXGFC-UHFFFAOYSA-N 331.368 4.232 5 50 EIBA C[C@@H]1C[C@@H](c2cccnc2)N(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 302154593 VKRJHQONSANXIJ-ACJLOTCBSA-N 334.379 4.126 5 50 EIBA O=C(NC1CCCC1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1 4834504 OEZJVYHJJFZXQT-UHFFFAOYSA-N 342.420 4.418 5 50 EIBA O=[N+]([O-])c1c(Sc2cccc(C(F)(F)F)c2)nc2sccn12 1395885 UFTYEPXPLPTGJD-UHFFFAOYSA-N 345.327 4.474 5 50 EIBA Cc1cc([N+](=O)[O-])ccc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 4680031 UIILYRUBFBHISW-UHFFFAOYSA-N 348.786 4.353 5 50 EIBA CC(C)(C)OC(=O)n1c([N+](=O)[O-])cc2cc(Br)ccc21 261494283 UDBOSHTZMVJIMV-UHFFFAOYSA-N 341.161 4.095 5 50 EIBA O=C(COc1ccc(-c2ccccc2)cc1)Nc1ccc([N+](=O)[O-])cc1 4037731 BEOGCIURTLFJFS-UHFFFAOYSA-N 348.358 4.279 5 50 EIBA CC1CCN(C(=O)/C=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 4542796 FTDIJLRGHJKIHG-SOFGYWHQSA-N 340.379 4.127 5 50 EIBA COc1ccc2c(c1[N+](=O)[O-])CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]12 101361794 QDFCXLJPTBSDPF-DZDCQFRTSA-N 329.396 4.029 5 50 EIBA Cc1ccc([N+](=O)[O-])cc1NC(=O)CC12CC3CC(CC(C3)C1)C2 5063536 MKTBTHRMBKOTSN-UHFFFAOYSA-N 328.412 4.448 5 50 EIBA COc1c(Sc2ccc([N+](=O)[O-])cc2)c(C)nn1-c1ccccc1 83110 LLUJPKINUFWKIR-UHFFFAOYSA-N 341.392 4.249 5 50 EIBA CC[C@H](C)c1ccccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1C 2846075 KMWTYAKIRKAZTP-ZDUSSCGKSA-N 342.395 4.434 5 50 EIBA O=C(c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CCCCCC1 4838386 ZAQHBRBUQHGRFZ-UHFFFAOYSA-N 340.379 4.403 5 50 EIBA O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccc([N+](=O)[O-])o1 432459 OYVSTKKAFQFZIE-UHFFFAOYSA-N 349.302 4.248 5 50 EIBA Cc1cc(C(=O)Nc2ccccc2N2CCCCC2)ccc1[N+](=O)[O-] 463690 UOLDPTBKSABMSN-UHFFFAOYSA-N 339.395 4.146 5 50 EIBA CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 442407 OCPSSCHBODHMDG-OAHLLOKOSA-N 334.759 4.044 5 50 EIBA O=c1oc2ccccc2c2nc3ccc(Br)cc3cc12 409416834 QRKHEIJEYMIDDL-UHFFFAOYSA-N 326.149 4.257 5 50 EIBA O=C(CSCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl 4724962 OICWDDRFHGIYIR-UHFFFAOYSA-N 336.800 4.120 5 50 EIBA C[C@@]12CC3CC(CNC(=O)c4ccc([N+](=O)[O-])cc4)(C1)C[C@](C)(C3)C2 16134100 ZSCAMGWUWYATDQ-ODNNXGBQSA-N 342.439 4.321 5 50 EIBA O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC=C(c2cccc3ccccc23)CC1 170599201 LDHHKULRHNBHQJ-UHFFFAOYSA-N 347.374 4.006 5 50 EIBA C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 231990 CQXRHDJMSMHLGN-CQSZACIVSA-N 339.395 4.427 5 50 EIBA O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cc(-c2cccs2)on1 2802597 PAKDQRQIENYYBH-UHFFFAOYSA-N 349.755 4.217 5 50 EIBA O=[N+]([O-])c1ccc([C@H]2[C@H]3C(c4ccccc4)=NC4(CCCCC4)[N@]32)cc1 1857622189 JCCUFLGXQUXPLE-MZKRTTBSSA-N 347.418 4.483 5 50 EIBA CC(C)(C)Oc1ccncc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 131965841 AGTZYZFEEDWZAY-UHFFFAOYSA-N 349.774 4.073 5 50 EIBA COc1cc(C)ccc1OCCCCOc1ccccc1[N+](=O)[O-] 2994719 LHJPHOOXYUXFBG-UHFFFAOYSA-N 331.368 4.150 5 50 EIBA O=[N+]([O-])c1ccc2ncnc(Nc3cccc(Br)c3)c2c1 13743118 MAVKGSSRIBVAGI-UHFFFAOYSA-N 345.156 4.044 5 50 EIBA COc1ccccc1NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 266475 DFBGVEJEWVUAAP-UHFFFAOYSA-N 338.319 4.116 5 50 EIBA Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=S)N=C2O)o1 1231218 FUNBDCQKSTYMKF-NTUHNPAUSA-N 346.389 4.492 5 50 EIBA CCCCOc1ccc(C(=O)OCc2cccc([N+](=O)[O-])c2)cc1 2834848 GUDFKMOVZZAJQN-UHFFFAOYSA-N 329.352 4.131 5 50 EIBA O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1ccccc1[N+](=O)[O-] 4173276 OYVQTRILTPQRGA-CMDGGOBGSA-N 336.269 4.266 5 50 EIBA O=[N+]([O-])c1ccc2c(cnn2-c2ncc(C(F)(F)F)cc2Cl)c1 1385658 BPXODEWLQJNVOU-UHFFFAOYSA-N 342.664 4.001 5 50 EIBA O=[N+]([O-])c1ccc(CCNc2cccc3ccccc23)c([N+](=O)[O-])c1 2903736 RHOGJKLRLPILQR-UHFFFAOYSA-N 337.335 4.311 5 50 EIBA CCOc1ccccc1OCCOc1ccc([N+](=O)[O-])cc1Cl 4701943 PJPOJVNBUXRVOL-UHFFFAOYSA-N 337.759 4.105 5 50 EIBA O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cccc([N+](=O)[O-])c1 610006 YGNVMOMFWHRDDZ-UHFFFAOYSA-N 341.245 4.137 5 50 EIBA Cc1c(NC(=O)c2cccc(Br)c2)ccc([N+](=O)[O-])c1C 4950894 YCNCSTDDEHMDIU-UHFFFAOYSA-N 349.184 4.226 5 50 EIBA Cc1cc(OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)ccc1Cl 80717 NPQYCHNNTFJMLQ-UHFFFAOYSA-N 345.742 4.186 5 50 EIBA CC[C@H](C)c1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 4616456 IKIRIAOFYUXTEB-LBPRGKRZSA-N 328.368 4.369 5 50 EIBA COc1ccc([C@H](C)N[C@H](C)c2cc(F)ccc2F)cc1[N+](=O)[O-] 2325783192 BIOCFPYCTGLDPZ-WDEREUQCSA-N 336.338 4.293 5 50 EIBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)cc1Cl 289162 XVOPEXZPEIYCJP-UHFFFAOYSA-N 341.150 4.163 5 50 EIBA O=C(OCc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1Cl 572014 JAYVVHPVEQNJCK-UHFFFAOYSA-N 326.135 4.259 5 50 EIBA CCCCCOc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 2981333 NENSHKFOQNKILF-UHFFFAOYSA-N 328.368 4.416 5 50 EIBA COc1cc(Cl)c(C)cc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 145309 RDCMIGLJQDQILZ-VOTSOKGWSA-N 346.770 4.217 5 50 EIBA Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)cccc1[N+](=O)[O-] 259084 GDGXMIGYCJREDW-UHFFFAOYSA-N 325.151 4.462 5 50 EIBA CC(C)=CCC[C@@H](C)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4981041 LRUBMTXSUMGFGM-QGZVFWFLSA-N 331.460 4.099 5 50 EIBA Cc1cccc(N2C(=O)c3cccc4cc([N+](=O)[O-])cc(c34)C2=O)c1C 465018 HUSGNSWNCXYVND-UHFFFAOYSA-N 346.342 4.165 5 50 EIBA CCN(CC)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 557454 SKFWEHWPOCCMFJ-UHFFFAOYSA-N 327.384 4.002 5 50 EIBA COc1ccc2c(c1[N+](=O)[O-])CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@@H]12 17124457 QDFCXLJPTBSDPF-PITQQHRWSA-N 329.396 4.029 5 50 EIBA Cc1ccc(-c2cc(=O)oc(-c3c[nH]c4ccccc34)n2)cc1[N+](=O)[O-] 106796564 JQPNEZZGDBUCDZ-UHFFFAOYSA-N 347.330 4.067 5 50 EIBA O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 178324 ADUHGNOQZMBVPZ-UHFFFAOYSA-N 345.786 4.101 5 50 EIBA Cc1noc(C)c1CN(C)c1c(Cl)cc([N+](=O)[O-])cc1Cl 170593167 FRICCBRPEHMPFF-UHFFFAOYSA-N 330.171 4.143 5 50 EIBA O=[N+]([O-])c1ccc(-c2noc(-c3ccc(Br)cc3)n2)cc1 175099 IPZDTVXZDYEBFD-UHFFFAOYSA-N 346.140 4.074 5 50 EIBA CSCc1ccccc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 186069480 DRDQBBJUCDXHNI-UHFFFAOYSA-N 336.800 4.364 5 50 EIBA O=C(c1ccccc1Sc1ccc([N+](=O)[O-])cc1)N1CCCCC1 316469 BPFVRAVJQSULDG-UHFFFAOYSA-N 342.420 4.372 5 50 EIBA COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1Cl 455640 FLAFLFYQPQSYFF-UHFFFAOYSA-N 341.150 4.163 5 50 EIBA O=[N+]([O-])c1cccnc1Sc1ncc(C(F)(F)F)cc1Cl 1385650 JTRJCCAIPOWZQT-UHFFFAOYSA-N 335.694 4.208 5 50 EIBA CC[C@@H](OC(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H](C)c1ccccc1 3125068 YQYBZRJNPSCVTO-SJKOYZFVSA-N 329.352 4.040 5 50 EIBA CC[C@@H]1C=C(c2ccc([N+](=O)[O-])cc2)O[C@H](N2CCCCC2)[C@H]1C 239415412 UKBFXKYZXNIXTF-KHYOSLBOSA-N 330.428 4.440 5 50 EIBA Cc1nc(-c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)cs1 60444 MRILEBMVJDTSRT-UHFFFAOYSA-N 339.376 4.279 5 50 EIBA COc1ccccc1CSc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1 13114066 BQCGRTJRCPRTMQ-UHFFFAOYSA-N 341.392 4.286 5 50 EIBA aggregator O=C(NCc1ccco1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 545071 GRXZIOUVKBXKFB-UHFFFAOYSA-N 346.726 4.031 5 50 EIBA COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cccc(Cl)c1C 3086042 VRBXRNAGQDYLOU-UHFFFAOYSA-N 335.747 4.209 5 50 EIBA Clc1ccc2nc3c(I)cccc3nc2c1 1848350231 FFNFGBVMHMLHMF-UHFFFAOYSA-N 340.551 4.041 5 50 EIBA Cc1ccc(C(=O)N(Cc2ccccc2)c2ccccn2)cc1[N+](=O)[O-] 183101 SRCTZSHXHORVLS-UHFFFAOYSA-N 347.374 4.145 5 50 EIBA Cc1cccc(NC(=O)c2cc([N+](=O)[O-])cc(Cl)c2Cl)c1 225629644 UMVUIKLYERWSFU-UHFFFAOYSA-N 325.151 4.462 5 50 EIBA O=[N+]([O-])c1cccc(-c2csc(Nc3ccc4c(c3)OCO4)n2)c1 440547 WLZMVSIIOYVGQA-UHFFFAOYSA-N 341.348 4.191 5 50 EIBA O=C(Cc1ccc([N+](=O)[O-])cc1)OCc1ccc(Cl)c(Cl)c1 618300 GRGZBTVLIQFQAO-UHFFFAOYSA-N 340.162 4.188 5 50 EIBA O=C(Nc1ccccc1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 4983649 ZQQLZBYPUIKAIV-UHFFFAOYSA-N 347.374 4.459 5 50 EIBA Cc1cc(C)n(CNc2ccc3c(c2)Cc2cc([N+](=O)[O-])ccc2-3)n1 44692 JJSPSZJLUQAAES-UHFFFAOYSA-N 334.379 4.049 5 50 EIBA O=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)NCc1ccccc1 4542794 MMNZVIWGFKSXML-ZRDIBKRKSA-N 348.358 4.184 5 50 EIBA CC[C@@H](C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccccc1 8974732 WZXDNFXMAGVNMM-CYBMUJFWSA-N 341.392 4.337 5 50 EIBA O=[N+]([O-])c1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 443293 SPKPDBRAEOMUPR-UHFFFAOYSA-N 335.241 4.331 5 50 EIBA c1ccc(-c2nc3sc4c(ncn5ncnc45)c3c3c2CCC3)cc1 550039 JOHOIHIWSUIDNJ-UHFFFAOYSA-N 343.415 4.043 5 50 EIBA CCOc1ccccc1OCCCCOc1ccccc1[N+](=O)[O-] 2985308 DFZYTFFKRLUNPB-UHFFFAOYSA-N 331.368 4.232 5 50 EIBA Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c(Br)c1 436586 YAYWRMKHIRURJQ-UHFFFAOYSA-N 349.184 4.226 5 50 EIBA CC[C@@H](C)c1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 103363 IKIRIAOFYUXTEB-GFCCVEGCSA-N 328.368 4.369 5 50 EIBA Cc1ccc(C(=O)Nc2c(Cl)cccc2Cl)cc1[N+](=O)[O-] 438157 DHAZESYVMSATGN-UHFFFAOYSA-N 325.151 4.462 5 50 EIBA O=[N+]([O-])c1ccc(Nc2cc(Cl)c(O)c(Cl)c2)c([N+](=O)[O-])c1 4566406 MPDFALLETDBALE-UHFFFAOYSA-N 344.110 4.259 5 50 EIBA OC[C@@H]1CCC[N@+]2(Cc3ccc(Cl)c(Cl)c3)CCCC[C@H]12 253389798 HHQCFQRIFDLCHB-NQYLQCIDSA-N 329.291 4.265 5 50 EIBA biogenic O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc2c3c(cccc13)CC2 570040 ZFNSCLLOHCUCGF-KPKJPENVSA-N 344.370 4.499 5 50 EIBA C[C@H]1CCc2cc(F)ccc2N1C(=O)Nc1cccc([N+](=O)[O-])c1 2859189 DCSQLTJAUOIPON-NSHDSACASA-N 329.331 4.107 5 50 EIBA O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/c2ccccc2Cl)c([N+](=O)[O-])c1 104045481 GALMZVSQNDRCKL-AATRIKPKSA-N 349.686 4.235 5 50 EIBA O=[N+]([O-])c1cccnc1N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 225533731 ZESLDVLIOLTRNC-INIZCTEOSA-N 349.394 4.112 5 50 EIBA Cc1cc(Br)ccc1NC(=O)c1cccc([N+](=O)[O-])c1C 4599027 SUDBLDSTAUYENX-UHFFFAOYSA-N 349.184 4.226 5 50 EIBA COC(=O)c1c(C)oc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc12 96568 FAZYZBVERKPWEE-UHFFFAOYSA-N 341.319 4.015 5 50 EIBA biogenic COc1ccc([N+](=O)[O-])cc1NCc1ccc(OC)c2ccccc12 438166 PQTWRIMFFGGZSN-UHFFFAOYSA-N 338.363 4.377 5 50 EIBA CCc1ccccc1N1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O 461693 VKHRLGJCNAWWOH-UHFFFAOYSA-N 346.342 4.111 5 50 EIBA C[C@H]1CCCN(c2nc(-c3ccc([N+](=O)[O-])cc3)nc3ccccc23)C1 72034 ZUTWDTSXTCZXAM-AWEZNQCLSA-N 348.406 4.441 5 50 EIBA O=C(Nc1cccc(F)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 309882 HHYQUGVSOQOSMO-UHFFFAOYSA-N 326.283 4.246 5 50 EIBA COC(=O)c1ccc(Oc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 1402021 ZUMJBJQMTDCJSV-UHFFFAOYSA-N 329.352 4.471 5 50 EIBA O=[N+]([O-])c1ccc(OCCCCOc2cccc3cccnc23)cc1 2985547 QPHAPEJOLGQGDB-UHFFFAOYSA-N 338.363 4.381 5 50 EIBA O=C(CCCOc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1 4042149 NCRAHBOPMUPYQQ-UHFFFAOYSA-N 334.759 4.046 5 50 EIBA CCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1Cl 4689090 UHEWYPCUASOFDL-UHFFFAOYSA-N 334.759 4.208 5 50 EIBA COc1ccc(C)cc1NC(=S)Nc1ccc([N+](=O)[O-])cc1C 4999178 DJOFSEHCIBPMCH-UHFFFAOYSA-N 331.397 4.029 5 50 EIBA Cc1cc(F)cc(C(=O)Nc2cccc(Cl)c2F)c1[N+](=O)[O-] 175729124 PUSUSCQJWNXOLZ-UHFFFAOYSA-N 326.686 4.087 5 50 EIBA O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 4868844 OURZCIFPUVCDNL-UHFFFAOYSA-N 328.221 4.005 5 50 EIBA COc1ccc2nc3ccc(Cl)cc3c(SCCCN)c2c1 98210304 XMMAOXMYUGQGJD-UHFFFAOYSA-N 332.856 4.491 5 50 EIBA in-vitro C[C@H](Nc1ccc2cc(F)cc([N+](=O)[O-])c2n1)c1cccc(O)c1 170603424 MZKHXZBITZSHTE-JTQLQIEISA-N 327.315 4.161 5 50 EIBA COc1cc2c(cc1[N+](=O)[O-])[C@@H]1CC[C@]3(C)C(=O)CC[C@@H]3[C@@H]1CC2 215979492 OGJQXEWFCAGBJC-XXZHDZSNSA-N 329.396 4.029 5 50 EIBA COc1ccc(N(C(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)C2CC2)cc1 283617 NEPFSKFZIQBYFG-CYBMUJFWSA-N 340.379 4.049 5 50 EIBA O=C(Nc1ccc([N+](=O)[O-])cc1)C(c1ccccc1)c1ccccc1 4615484 VKZSAXNNUNEOTJ-UHFFFAOYSA-N 332.359 4.365 5 50 EIBA Cc1ccc(Sc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])cc1 1386988 VTESNOPJCJEPNF-UHFFFAOYSA-N 330.409 4.193 5 50 EIBA Cc1cccc(OCCCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])c1 4042302 NMKCVGMGZRPCOC-UHFFFAOYSA-N 328.368 4.009 5 50 EIBA O=C(NC1CCCCC1)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 5064011 JKLZVVZUYHXOHB-UHFFFAOYSA-N 345.443 4.038 5 50 EIBA O=C(N=c1c2ccccc2[nH]c2ccccc12)C(Cl)(Cl)Cl 4998782 VGGIPCOTCBCUBE-UHFFFAOYSA-N 339.609 4.119 5 50 EIBA O=[N+]([O-])c1ccc(Nc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 5249107 YXUQXJASUOZRHT-UHFFFAOYSA-N 327.218 4.265 5 50 EIBA O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccccc1[N+](=O)[O-] 5013799 DZNAQYVWBPDSHG-UHFFFAOYSA-N 325.246 4.258 5 50 EIBA Cc1cnc(NCCCN(C)C)c2c1[nH]c1ccc3cc(O)ccc3c12 1629400 QROONAIPJKQFMC-UHFFFAOYSA-N 348.450 4.247 5 50 EIBA investigational O=C(Nc1ccc2cccc(Cl)c2n1)c1ccc([N+](=O)[O-])s1 182690692 WMHFIBOLZLIEHR-UHFFFAOYSA-N 333.756 4.110 5 50 EIBA O=C(c1ccc([N+](=O)[O-])cc1)N1CCS[C@@H]1c1ccc(Cl)cc1 68858 ZDPRCTFNRLTPSU-MRXNPFEDSA-N 348.811 4.136 5 50 EIBA O=C(CSCc1cccc(Cl)c1)Nc1cccc([N+](=O)[O-])c1 468882 YACNJVFNWSZENS-UHFFFAOYSA-N 336.800 4.120 5 50 EIBA CCc1cccc(C)c1NC(=O)CSCc1ccc([N+](=O)[O-])cc1 470150 DRBLFNWEWUAIET-UHFFFAOYSA-N 344.436 4.338 5 50 EIBA CCC[N+]12CCC(CC1)[C@H](C(O)(c1ccccc1)c1ccccc1)C2 982208 AFNMDAKSJAJEJB-HWDGFJGFSA-N 336.499 4.189 5 50 EIBA O=C(Nc1cc(F)ccc1F)Nc1cc([N+](=O)[O-])ccc1Cl 2172486 QZZVBCBCIGYUGJ-UHFFFAOYSA-N 327.674 4.170 5 50 EIBA CCCOc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 4043979 BZDDXTOKGQGPSH-LFYBBSHMSA-N 326.352 4.036 5 50 EIBA CCN(CC)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])c(C)c1 557453 MHLFOAHOQURLAM-UHFFFAOYSA-N 327.384 4.002 5 50 EIBA O=[N+]([O-])c1ccccc1-c1ccc(/C=C2/SC(=S)N=C2O)o1 2930859 GFDDVTZJRDWAAV-KPKJPENVSA-N 332.362 4.184 5 50 EIBA O=C(Nc1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccccc1Cl 5049304 XCDBGSRBNDTKLX-UHFFFAOYSA-N 345.786 4.101 5 50 EIBA CCCOc1ccc(/C=C/C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 1778090 KTQVUDRJEALYKO-DHZHZOJOSA-N 326.352 4.036 5 50 EIBA C[C@@H]1CCCN(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)C1 435211 AIIBDHVBUAAFRX-SECBINFHSA-N 338.816 4.335 5 50 EIBA Cc1ccc(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)c(C)c1 436525 HOXCXYXIFNSFMI-UHFFFAOYSA-N 334.169 4.205 5 50 EIBA CNc1cc2c(cc1C)nc1cc(C)c(NC)cc1[n+]2-c1ccccc1 95918026 LNACRURVDZZESN-UHFFFAOYSA-O 343.454 4.365 5 50 EIBA Cc1ccc(OCCOc2cccc3ccc(C)nc23)c([N+](=O)[O-])c1 2825245 QKDCKRCBCGUUPM-UHFFFAOYSA-N 338.363 4.218 5 50 EIBA O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(C(F)(F)F)cc1 5060276 QHFXWKXVUYHTGX-UHFFFAOYSA-N 325.246 4.258 5 50 EIBA Cc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])c1 5539284 HTLAQRUWOPLQAB-UHFFFAOYSA-N 325.151 4.462 5 50 EIBA Cc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] 102904 AUHGUPAEOINCGJ-UHFFFAOYSA-N 325.151 4.462 5 50 EIBA COC(=O)c1sccc1Oc1ccc([N+](=O)[O-])cc1C(F)(F)F 3125656 SSKWXCRKPVQCCM-UHFFFAOYSA-N 347.270 4.254 5 50 EIBA O=C(OCCCC(F)(F)F)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] 2325874383 KQRNITCPTOLYBW-UHFFFAOYSA-N 346.088 4.401 5 50 EIBA Cc1cc(Br)ccc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 102176 CMLOWTGYZHNXQL-UHFFFAOYSA-N 349.184 4.226 5 50 EIBA CC(=O)Oc1cc(/C=C/c2ccccc2[N+](=O)[O-])nc2ccccc12 5077904 NDAVHMRNYFFTSU-ZHACJKMWSA-N 334.331 4.239 5 50 EIBA O=C1c2ccccc2N[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccccc1 454655 QRCVACDUDPGDND-LJQANCHMSA-N 345.358 4.366 5 50 EIBA Cc1c(Cl)cccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 127348 CQNURRIMLPJOLT-UHFFFAOYSA-N 325.151 4.462 5 50 EIBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1c(Cl)cccc1Cl 434612 PYFMBSMPCUFNNU-UHFFFAOYSA-N 341.150 4.163 5 50 EIBA Cc1ccc(S(=O)(=O)Nc2c(C)cccc2C(C)C)cc1[N+](=O)[O-] 5063109 HWXFZOOXKFOGOK-UHFFFAOYSA-N 348.424 4.136 5 50 EIBA CCc1nc2ccccc2c(C(=O)Oc2cccc([N+](=O)[O-])c2)c1C 1264303570 WIDJLKWDYGITKV-UHFFFAOYSA-N 336.347 4.233 5 50 EIBA C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 231989 CQXRHDJMSMHLGN-AWEZNQCLSA-N 339.395 4.427 5 50 EIBA COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1Cl 260850 RTTBNJYNMWZIAW-UHFFFAOYSA-N 341.150 4.163 5 50 EIBA Cc1ccc(N2C(=O)S/C(=C\c3ccc([N+](=O)[O-])cc3)C2=O)cc1 975134 WOAOYPDMUDROIA-GDNBJRDFSA-N 340.360 4.144 5 50 EIBA O=C(c1ccc(Cl)cc1)c1ccc(Br)c([N+](=O)[O-])c1 87312 LBEHFZVCVCZPIS-UHFFFAOYSA-N 340.560 4.242 5 50 EIBA O=[N+]([O-])c1cccc(-c2nc(-c3ccccc3Br)no2)c1 16124270 ASDXLNFEXGGMBS-UHFFFAOYSA-N 346.140 4.074 5 50 EIBA in-vitro O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cccs1 2843874 SKZKYOWFINDQHO-UHFFFAOYSA-N 331.378 4.032 5 50 EIBA C/C=C/c1ccc(OCCOc2ccc(C)cc2[N+](=O)[O-])c(OC)c1 2985453 YAZJNEQZUNIJEY-SNAWJCMRSA-N 343.379 4.403 5 50 EIBA CC[C@H](OC(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H](C)c1ccccc1 3125067 YQYBZRJNPSCVTO-PXAZEXFGSA-N 329.352 4.040 5 50 EIBA OC[C@@H]1CCC[N@@+]2(Cc3ccc(Cl)c(Cl)c3)CCCC[C@H]12 253389797 HHQCFQRIFDLCHB-JNAXZKDPSA-N 329.291 4.265 5 50 EIBA biogenic Cc1ccc([C@@H](NCc2ccccc2[N+](=O)[O-])c2ccccn2)cc1 328588331 BWYZXZOOOAESQR-HXUWFJFHSA-N 333.391 4.177 5 50 EIBA O=C(Nc1ccc(F)c(Cl)c1)c1cc(Cl)ccc1[N+](=O)[O-] 375881 JCORTEWPHRCZTA-UHFFFAOYSA-N 329.114 4.293 5 50 EIBA O=[N+]([O-])c1cccc(-c2noc(COc3ccc4ccccc4c3)n2)c1 2953126 WHXCWRZEBZDMNB-UHFFFAOYSA-N 347.330 4.377 5 50 EIBA O=[N+]([O-])c1ccc([C@@H]2[C@@H]3C(c4ccccc4)=NC4(CCCCC4)[N@]32)cc1 1857622212 JCCUFLGXQUXPLE-QTEQDKRBSA-N 347.418 4.483 5 50 EIBA O=[N+]([O-])/C=C/c1ccc(OCc2ccc(Br)cc2)cc1 473825 ZCCSQVRBYIDNKM-MDZDMXLPSA-N 334.169 4.276 5 50 EIBA Cc1ccc(C)c([C@@H](C)NC(=S)Nc2ccc([N+](=O)[O-])cc2)c1 5041607 LCIVHEQUBWVYRD-CYBMUJFWSA-N 329.425 4.259 5 50 EIBA COc1cc(C(c2ccc(C)o2)c2ccc(C)o2)c(O)c([N+](=O)[O-])c1 19733014 MUGSZWVLVMWCTO-UHFFFAOYSA-N 343.335 4.292 5 50 EIBA COC(=O)c1ccccc1-c1c2ccc(=N)cc-2oc2cc(N)ccc12 4099018 FCGVBHISQBBIQF-UHFFFAOYSA-N 344.370 4.053 5 50 EIBA biogenic,in-vitro Cc1ccc2[nH]c3cc4c(=O)c5cc(C)ccc5[nH]c4cc3c(=O)c2c1 5419982 TXWSZJSDZKWQAU-UHFFFAOYSA-N 340.382 4.293 5 50 EIBA in-vitro Cc1ccccc1-c1cc(N(C)Cc2ccc([N+](=O)[O-])cc2F)n[nH]1 2325875224 KJLSIZUBZSKAPJ-UHFFFAOYSA-N 340.358 4.069 5 50 EIBA O=C(Nc1cc(F)c(F)cc1Cl)OCc1cccc([N+](=O)[O-])c1 446240 QELYENXBILIPIY-UHFFFAOYSA-N 342.685 4.275 5 50 EIBA O=C(Nc1ccc(Oc2cccnc2)cc1)c1ccc([N+](=O)[O-])cc1 1163462 NIOQILOKOACYAV-UHFFFAOYSA-N 335.319 4.034 5 50 EIBA O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)c(Cl)c1 292953 WTWDOCFFMOGBCH-UHFFFAOYSA-N 325.151 4.083 5 50 EIBA CCOc1cccc(OCCOc2ccc([N+](=O)[O-])cc2Cl)c1 4701999 HHRZMLZPBVLSRO-UHFFFAOYSA-N 337.759 4.105 5 50 EIBA O=C(Nc1ccc(F)c([N+](=O)[O-])c1)Oc1ccc2ccccc2c1 4800859 KUETUIKCHMTYNT-UHFFFAOYSA-N 326.283 4.498 5 50 EIBA Cc1cccc(Cl)c1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 103112 OWHRYQBZVSOAFT-UHFFFAOYSA-N 325.151 4.462 5 50 EIBA O=C(Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1)C(F)(F)F 507873 GDXDWWNZGGZBCA-UHFFFAOYSA-N 344.220 4.027 5 50 EIBA Cc1ccc2nc3c(F)c(N4CCOCC4)c(F)c(F)c3c(C)c2c1 4998449 NHWHPIDVZOSDIG-UHFFFAOYSA-N 346.352 4.259 5 50 EIBA Nc1c(-c2cccc(C(F)(F)F)c2)cnn1-c1cccc([N+](=O)[O-])c1 2508452 SNYRWFKLEFTEER-UHFFFAOYSA-N 348.284 4.049 5 50 EIBA O=c1oc(-c2cc([N+](=O)[O-])ccc2Cl)nc2ccc(Cl)cc12 89153 LSRQRRMTSVYAAW-UHFFFAOYSA-N 337.118 4.070 5 50 EIBA Cc1cc(C)c(C(=O)OC[C@@H]2CCC[N@+]3(C)CCCC[C@H]23)cc1C 252460757 HXRDLTAYKDJZSA-DWLFOUALSA-N 330.492 4.178 5 50 EIBA biogenic O=C(c1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 4701850 SRDFYYFRZQAXEJ-UHFFFAOYSA-N 344.798 4.470 5 50 EIBA O=[N+]([O-])c1ccc([C@@H]2[C@H]3C(c4ccccc4)=NC4(CCCC4)[N@@]32)cc1 1848658983 SLIMGDFBHBKUFV-WOIUINJBSA-N 333.391 4.093 5 50 EIBA CCn1c(SCc2ccccc2)nnc1-c1cccc([N+](=O)[O-])c1 221583 VWLXMSHINPJNJJ-UHFFFAOYSA-N 340.408 4.166 5 50 EIBA C[C@@H](NC(=O)c1cc2c(ccc3ccccc32)oc1=O)c1ccccc1 5093838 BVYYQHPLJQOBCW-CQSZACIVSA-N 343.382 4.437 5 50 EIBA C[C@@H]1C[C@@H](Nc2c([N+](=O)[O-])c(=O)oc3ccccc23)CC(C)(C)C1 4833893 XXFBVGMMIROTHC-VXGBXAGGSA-N 330.384 4.328 5 50 EIBA Cc1nc(-c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cs1 169465 YSKXWOOPQXTYFN-UHFFFAOYSA-N 339.376 4.279 5 50 EIBA O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 84276 QBFIRIXUDKKYTD-UHFFFAOYSA-N 346.342 4.078 5 50 EIBA COc1ccc2c(cnc3c4cc5c(cc4ccc23)OCO5)c1OC 900935 JGUNQXPMULKFNY-UHFFFAOYSA-N 333.343 4.287 5 50 EIBA biogenic,in-vitro COc1ccccc1OCCCOc1ccc([N+](=O)[O-])cc1Cl 2984097 JNAVDENGXQNECA-UHFFFAOYSA-N 337.759 4.105 5 50 EIBA Cc1cc(C)c2nc(NC(=O)c3ccccc3[N+](=O)[O-])sc2c1 432300 LXCBJAVUFURVRA-UHFFFAOYSA-N 327.365 4.074 5 50 EIBA C[C@@H]1C[C@H](c2cccnc2)N(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 302154595 VKRJHQONSANXIJ-FZKQIMNGSA-N 334.379 4.126 5 50 EIBA CC[C@@H](C)OC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 72215 SVLLAXAZDANVTD-MRVPVSSYSA-N 337.319 4.047 5 50 EIBA O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cccc([N+](=O)[O-])c1 609644 DOSGOOUMYPMSHG-UHFFFAOYSA-N 325.246 4.258 5 50 EIBA CCOc1ccc(OCCCCOc2ccc([N+](=O)[O-])cc2)cc1 2983870 LJLADAVFCKQWPX-UHFFFAOYSA-N 331.368 4.232 5 50 EIBA O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1nc(C3CC3)cs1)CCC2 193025164 LSXAUENTVIYWMI-HNNXBMFYSA-N 329.425 4.096 5 50 EIBA O=[N+]([O-])c1ccc([C@H]2[C@H]3C(c4ccccc4)=NC4(CCCCC4)[N@@]32)cc1 1857622188 JCCUFLGXQUXPLE-MIZPHKNDSA-N 347.418 4.483 5 50 EIBA Cc1ccc([C@H](C)N=c2[nH]c3cc(F)c(F)cc3s2)cc1[N+](=O)[O-] 2325849090 GKNWCPCEPAZORN-VIFPVBQESA-N 349.362 4.386 5 50 EIBA O=[N+]([O-])c1ccc(NC(=S)Nc2cccc(C(F)(F)F)c2)cc1 5580700 OELRBZSULAMPKZ-UHFFFAOYSA-N 341.314 4.423 5 50 EIBA O=C(Nc1cc([N+](=O)[O-])ccc1O)Nc1cccc(Cl)c1Cl 25668819 GZOMTDYQJHIAGF-UHFFFAOYSA-N 342.138 4.251 5 50 EIBA Cc1cc(C(=O)Nc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-] 102158 VDHSMROMQLXFNC-UHFFFAOYSA-N 325.151 4.462 5 50 EIBA Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])c1 5094704 RDEHGRNKQGZPPD-UHFFFAOYSA-N 342.395 4.353 5 50 EIBA O=[N+]([O-])c1ccc([C@H]2[C@H]3C(c4ccccc4)=NC4(CCCCC4)N32)cc1 19732714 JCCUFLGXQUXPLE-RCCQNZRSSA-N 347.418 4.483 5 50 EIBA O=C(Cc1ccc(Cl)cc1)Nc1nc2ccc([N+](=O)[O-])cc2s1 9089776 KYKIXXIRADJZRE-UHFFFAOYSA-N 347.783 4.039 5 50 EIBA O=C(O)c1ccc(Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 271692 YEKBDEKDNHIITG-UHFFFAOYSA-N 341.348 4.160 5 50 EIBA O=C(Oc1ccc(Cc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 587070 ZENXJGQHLCBXRF-UHFFFAOYSA-N 333.343 4.405 5 50 EIBA N=c1oc2ccc3ccccc3c2cc1C(=O)NCc1cccs1 17070468 XLZIGWBBLZGYBQ-UHFFFAOYSA-N 334.400 4.057 5 50 EIBA C[C@@H]1CC(NC(=O)c2cc3ccccc3c3cccnc23)C[C@@H](C)O1 225532405 NPTVNMDQIPCEFO-ZIAGYGMSSA-N 334.419 4.074 5 50 EIBA Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1[C@H](C=C(Cl)Cl)C1(C)C 4426329 WJGBLBSCHKSPFU-GWCFXTLKSA-N 343.210 4.433 5 50 EIBA Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)CO[C@H]1CCCC[C@H]1C 170633091 DCZWMQDNCSIREO-BMIGLBTASA-N 340.807 4.090 5 50 EIBA O=C(Cc1c(F)cccc1Cl)Nc1ccc([N+](=O)[O-])cc1Cl 4704414 WLQNWZHJYHAHRQ-UHFFFAOYSA-N 343.141 4.222 5 50 EIBA COc1ccccc1OCCCCOc1ccc(C)cc1[N+](=O)[O-] 2985567 KXAANGFTGJCDLR-UHFFFAOYSA-N 331.368 4.150 5 50 EIBA O=[N+]([O-])c1ccc2[nH]c3c(c2c1)CCC[C@H]3NC1Cc2ccccc2C1 22077808 KINHDORMEGACQR-HXUWFJFHSA-N 347.418 4.211 5 50 EIBA O=C(c1ccc([N+](=O)[O-])cc1)N1CCS[C@H]1c1ccc(Cl)cc1 68856 ZDPRCTFNRLTPSU-INIZCTEOSA-N 348.811 4.136 5 50 EIBA CCOc1ccc(C(=O)OCC[C@@H]2CCC[N@+]3(C)CCCC[C@H]23)cc1 252441179 JKGLLRLAYPIYPO-WEYGHZABSA-N 346.491 4.041 5 50 EIBA CC[C@H](C)c1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(O)c1 450165 JPJCWCKBQCXVJY-RSPDNQDQSA-N 340.379 4.466 5 50 EIBA O=[N+]([O-])/C=C/c1ccc(OCc2ccccc2)c(Br)c1 475534 IYPVCLKFPWXUBP-CMDGGOBGSA-N 334.169 4.276 5 50 EIBA CC[C@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)C[C@H](C)O1 225560297 IPSBOUYJXZKEIU-HOCLYGCPSA-N 334.419 4.028 5 50 EIBA O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1c(Cl)cccc1Cl 441748 OLXMHEVPJWYMHX-UHFFFAOYSA-N 325.151 4.083 5 50 EIBA O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc([N+](=O)[O-])o1 2999119 GRBQJKOGEWERKN-UHFFFAOYSA-N 349.755 4.217 5 50 EIBA O=C(Nc1cc(C(F)(F)F)ccc1F)c1cccc([N+](=O)[O-])c1 5068188 XJAWMYACQNFPAE-UHFFFAOYSA-N 328.221 4.005 5 50 EIBA CC(C)Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 144406 XWJKFVCBVPQWEK-UHFFFAOYSA-N 334.759 4.288 5 50 EIBA CC(=O)Oc1ccc(/C=C/c2ccc3ccccc3n2)cc1[N+](=O)[O-] 4998937 CPRRJOZDWUMPMN-RMKNXTFCSA-N 334.331 4.239 5 50 EIBA CCCC[N+](C)(CCCC)CC(O)C[N+](C)(CCCC)CCCC 5421321 OLGCYBYMBLDHNF-UHFFFAOYSA-N 344.628 4.441 5 50 EIBA Cc1cc(Oc2ccc([N+](=O)[O-])cc2)nc(NCc2ccccc2)n1 73475 LFUGTWGSQGDMGQ-UHFFFAOYSA-N 336.351 4.098 5 50 EIBA Cc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 313087 BGQFLYIXCGLVPI-UHFFFAOYSA-N 325.151 4.462 5 50 EIBA COc1ccc2c(c1)sc1nc(-c3ccc([N+](=O)[O-])cc3)cn12 2454926 IHYWQSHBHFRFJX-UHFFFAOYSA-N 325.349 4.133 5 50 EIBA Cc1ccc(NC(=O)COc2ccc3ccccc3c2)c([N+](=O)[O-])c1 5093346 POTUGDTTZGLFSK-UHFFFAOYSA-N 336.347 4.074 5 50 EIBA CCc1nn(C)c(Nc2cccc(Oc3ccccc3)c2)c1[N+](=O)[O-] 1306915078 KVKJVHSACOUYAX-UHFFFAOYSA-N 338.367 4.427 5 50 EIBA CC(C)Oc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 4839334 GVNHDOZJPIOGDM-UHFFFAOYSA-N 334.759 4.288 5 50 EIBA O=[N+]([O-])c1cc(F)cc(Br)c1OCc1ccccc1 95494774 ZNYZLFQUEBXUOR-UHFFFAOYSA-N 326.121 4.075 5 50 EIBA O=C1Nc2ccccc2/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 574866 HAOISBSLZUGOAK-WJDWOHSUSA-N 332.315 4.348 5 50 EIBA CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C)cc1 4873062 PFNLEWWRISNQMD-UHFFFAOYSA-N 327.384 4.002 5 50 EIBA CCCOc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 2972507 FTXKRSNNRSFUNF-UHFFFAOYSA-N 334.759 4.289 5 50 EIBA O=C(CCCOc1ccc(Cl)cc1)Nc1ccccc1[N+](=O)[O-] 4042147 NKELUNGXAXHKEF-UHFFFAOYSA-N 334.759 4.046 5 50 EIBA Brc1ccc2ccc3ccc(Br)nc3c2n1 59160837 QNLGXYVSHITTGT-UHFFFAOYSA-N 338.002 4.308 5 50 EIBA COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] 103357 NGRNRPWPJLMWBI-UHFFFAOYSA-N 341.150 4.163 5 50 EIBA in-vivo O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC=C(c2ccccc2)CC1 2166770 JTVPVPVYNBUZJD-UHFFFAOYSA-N 342.782 4.178 5 50 EIBA Cc1ccc(NC(=O)CCCOc2ccc(Cl)cc2)c([N+](=O)[O-])c1 4042159 TWTMJMYIMAMKPE-UHFFFAOYSA-N 348.786 4.354 5 50 EIBA O=C(Nc1cccnc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 23549764 DNJLISZLYISQLP-UHFFFAOYSA-N 335.319 4.034 5 50 EIBA COc1ccc(NC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c(Cl)c1 1752719 QSZBOPNSGSMKNN-UHFFFAOYSA-N 339.710 4.040 5 50 EIBA C[N@+]12CCCC[C@@H]1[C@H](OC(=O)C1(c3ccccc3)CCCC1)CCC2 245380450 ZIVXSNSWRIBHKJ-TXTKFYIRSA-N 342.503 4.203 5 50 EIBA biogenic C[C@@H](CC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccccc1 303077 XCJRXPUYESSRBG-NSHDSACASA-N 341.392 4.337 5 50 EIBA O=C(Nc1cccc2ncccc12)c1ccc([N+](=O)[O-])cc1Cl 5027959 BDGLOWWYLGUGDG-UHFFFAOYSA-N 327.727 4.049 5 50 EIBA C[C@H](C1CC1)N(C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 283623 DQMRGQPDYBWDAY-CYBMUJFWSA-N 325.368 4.432 5 50 EIBA O=[N+]([O-])c1ccc(CSc2nnc(Nc3ccccc3)s2)cc1 1817209 FOEDZTLQTDXQAH-UHFFFAOYSA-N 344.421 4.482 5 50 EIBA O=C(c1cc2c(ccc3ccccc32)oc1=O)N1CCc2ccccc21 617109 HAIXTTZLPINZKC-UHFFFAOYSA-N 341.366 4.149 5 50 EIBA CC1(C)C[C@](C)(c2ccc([N+](=O)[O-])cc2)c2cc([N+](=O)[O-])ccc21 2067067 CHKLAJJDZRIGFI-GOSISDBHSA-N 326.352 4.490 5 50 EIBA Cc1c(NC(=O)COc2ccc(C(C)(C)C)cc2)cccc1[N+](=O)[O-] 38582 FKBTYHREAYGMNP-UHFFFAOYSA-N 342.395 4.218 5 50 EIBA O=C(Nc1ccccn1)c1sc2cc([N+](=O)[O-])ccc2c1Cl 176137 KNRKURFWIPWGKS-UHFFFAOYSA-N 333.756 4.110 5 50 EIBA Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=S)N=C2O)o1 16283262 WEKUSWVPXQFMST-QPEQYQDCSA-N 346.389 4.492 5 50 EIBA Cc1cccc2sc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])nc12 105873 WGJCMRIWBSOKHR-UHFFFAOYSA-N 347.783 4.419 5 50 EIBA O=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1cc(Cl)ccc1Cl 4775575 DSPDLMJFMYWRGQ-UHFFFAOYSA-N 342.138 4.251 5 50 EIBA COC(=O)c1ccc(Oc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 1403577 WZZNWAKSAADWOU-UHFFFAOYSA-N 342.134 4.481 5 50 EIBA Cc1cc(OCCCCn2cnc3ccccc32)ccc1[N+](=O)[O-] 5049287 LGLLEDDEZDLMSL-UHFFFAOYSA-N 325.368 4.112 5 50 EIBA O=[N+]([O-])c1ccc(-c2nc(N3CCc4ccccc4C3)cs2)cc1 310831 PZXKFKFIZWVISX-UHFFFAOYSA-N 337.404 4.281 5 50 EIBA Brc1cnc2c(ccc3cc(Br)cnc32)c1 34925678 IDWJREBUVYSPKS-UHFFFAOYSA-N 338.002 4.308 5 50 EIBA in-vitro COc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)nc(C)c2c1 69243 XTNNHYQKCKTMKY-UHFFFAOYSA-N 341.392 4.147 5 50 EIBA COc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 103346 BLCZVNOLFVGOND-UHFFFAOYSA-N 341.150 4.163 5 50 EIBA CC(C)N(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1Cl 247347 PQFRFMDNEOTDGS-UHFFFAOYSA-N 332.787 4.299 5 50 EIBA O=[N+]([O-])c1cccnc1Sc1nccc(/C=C/c2ccccc2)n1 4052294 PPSGMZTWRKFOIH-CMDGGOBGSA-N 336.376 4.101 5 50 EIBA COc1ccc(NC(=O)c2csc3ccccc23)c([N+](=O)[O-])c1 4750297 QRRFKGKSPRBSKM-UHFFFAOYSA-N 328.349 4.070 5 50 EIBA CC[C@@H]1C=C(c2ccc([N+](=O)[O-])cc2)O[C@@H](N2CCCCC2)[C@H]1C 239415413 UKBFXKYZXNIXTF-QMTMVMCOSA-N 330.428 4.440 5 50 EIBA O=C(c1cccc(Oc2c(Cl)cccc2[N+](=O)[O-])c1)N1CCCC1 4857233 ICKZBPFUVSTILQ-UHFFFAOYSA-N 346.770 4.277 5 50 EIBA COc1cc2c(cc1[N+](=O)[O-])[C@@H]1CC[C@]3(C)C(=O)CC[C@H]3[C@H]1CC2 71770588 OGJQXEWFCAGBJC-CFLYGVGMSA-N 329.396 4.029 5 50 EIBA O=[N+]([O-])c1ccc([C@@H]2[C@@H]3C(c4ccccc4)=NC4(CCCCC4)[N@@]32)cc1 1857622213 JCCUFLGXQUXPLE-ZRCGQRJVSA-N 347.418 4.483 5 50 EIBA O=[N+]([O-])c1ccc2[nH]cc([C@@H](c3cccs3)N3CCCC3)c2c1 1775971559 VCNIXGPBWHFBEZ-KRWDZBQOSA-N 327.409 4.323 5 50 EIBA COc1cc([N+](=O)[O-])ccc1NC(=O)Oc1ccc(Cl)cc1C 4797194 LZTHYWUCTYUAIW-UHFFFAOYSA-N 336.731 4.176 5 50 EIBA CC[C@@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)C[C@H](C)O1 225560328 IPSBOUYJXZKEIU-GOEBONIOSA-N 334.419 4.028 5 50 EIBA O=C(OCc1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 166752 VABCBHGJNCSEJC-UHFFFAOYSA-N 326.135 4.259 5 50 EIBA C[C@@H]1CCc2cc(F)ccc2N1C(=O)Nc1ccc([N+](=O)[O-])cc1 4700918 DSUONPYYEYDFTJ-LLVKDONJSA-N 329.331 4.107 5 50 EIBA Cc1cc2c(cc1C)[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)CC(=O)N2 221459 WELUPBPULQNNNE-GFCCVEGCSA-N 330.771 4.339 5 50 EIBA Cc1ccc(OCCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 1773408 XUMDWZMOXNGNLI-UHFFFAOYSA-N 328.368 4.009 5 50 EIBA O=C(Nc1cccc2cccnc12)c1ccc(Cl)c([N+](=O)[O-])c1 4990221 VSWRGGQOBMGQMR-UHFFFAOYSA-N 327.727 4.049 5 50 EIBA O=C(Nc1cccc2c1CCCC2)c1cc([N+](=O)[O-])ccc1Cl 451730 DEQSXHIQOSMESJ-UHFFFAOYSA-N 330.771 4.379 5 50 EIBA Cc1ccc([C@@H](C)NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(C)c1 371417 WIDKUDGZQLRHNI-GFCCVEGCSA-N 332.787 4.356 5 50 EIBA COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(Cl)cc1Cl 4070844 KKRPQHXGTOCDCX-UHFFFAOYSA-N 341.150 4.163 5 50 EIBA Cc1cc(C)c(OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c(Cl)c1 4671906 JKTHZWXZWPHTBU-UHFFFAOYSA-N 348.786 4.191 5 50 EIBA CCCOc1ccc(Cl)cc1CSc1nc(C)[nH]c1[N+](=O)[O-] 6355689 LPRCVCOIBFGNQS-UHFFFAOYSA-N 341.820 4.361 5 50 EIBA Cc1ccc(Oc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])c[n+]1[O-] 170597199 AESYOMBIWWZPAH-UHFFFAOYSA-N 348.664 4.001 5 50 EIBA COc1ccc(CSc2cccc3cccnc23)cc1[N+](=O)[O-] 32899 KZAZOCVOZMWDCB-UHFFFAOYSA-N 326.377 4.444 5 50 EIBA CC(=O)Nc1c2ccccc2n2c(C)nc3c4ccccc4[nH]c3c12 287089 DMHDXTJJXVQZNE-UHFFFAOYSA-N 328.375 4.389 5 50 EIBA CCN(CC)c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 444234 FRZWFKSGSMPEKO-UHFFFAOYSA-N 347.802 4.347 5 50 EIBA Cc1c(C(=O)Nc2ccc(Cc3ccncc3)cc2)cccc1[N+](=O)[O-] 447586 IPOUSMOLVKONCV-UHFFFAOYSA-N 347.374 4.141 5 50 EIBA O=C(NCc1ccc(Cl)cc1Cl)Nc1cccc([N+](=O)[O-])c1 611975 QVNXEAOEOSGGNW-UHFFFAOYSA-N 340.166 4.223 5 50 EIBA CCN(CC)c1ccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1 5063008 OSCUYHJCPBDOTC-UHFFFAOYSA-N 344.440 4.250 5 50 EIBA O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1cccc([N+](=O)[O-])c1 443294 LKPJOEFXXUNZPA-BQYQJAHWSA-N 336.269 4.266 5 50 EIBA CCOc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1[N+](=O)[O-] 444394 FHGXOKJLJDPAFH-UHFFFAOYSA-N 336.347 4.399 5 50 EIBA O=[N+]([O-])c1ccc2nc(N3CCc4cc(Cl)ccc4C3)sc2c1 1186089877 XIUIHYQGQFPACD-UHFFFAOYSA-N 345.811 4.421 5 50 EIBA CCCCOc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 5092962 GAWFXBPGMDLITI-UHFFFAOYSA-N 344.367 4.035 5 50 EIBA O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)NCc1ccccc1 447737 JVICBUQWJUKDTM-ACCUITESSA-N 348.358 4.184 5 50 EIBA O=[N+]([O-])c1cccc(-c2cc3c(Nc4ccccc4F)ncnc3[nH]2)c1 169935970 DDNQERCJBCUQBF-UHFFFAOYSA-N 349.325 4.416 5 50 EIBA C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 4865997 CZEFHUWMOHUSIF-CQSZACIVSA-N 339.395 4.226 5 50 EIBA CC[C@@H](C)c1ccccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1C 586070 KMWTYAKIRKAZTP-CYBMUJFWSA-N 342.395 4.434 5 50 EIBA O=C(OCc1ccc(Cl)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 572000 ZHJAKZYXWBGXMG-UHFFFAOYSA-N 326.135 4.259 5 50 EIBA Cc1c(NC(=O)COc2ccccc2C(C)C)cccc1[N+](=O)[O-] 587201 DNTDITYPXTXCQO-UHFFFAOYSA-N 328.368 4.044 5 50 EIBA COCc1cc(C)c2c(n1)sc1c2nc(C)n2c3ccccc3nc12 66728 NKOQWVQSZBYJBZ-UHFFFAOYSA-N 348.431 4.409 5 50 EIBA O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1cccc([N+](=O)[O-])c1 290826 SBQNQDZCIAPCDR-UHFFFAOYSA-N 330.343 4.418 5 50 EIBA COc1cc([N+](=O)[O-])ccc1NC(=O)Oc1ccc2ccccc2c1 4795378 APFVRHLUGNTJFO-UHFFFAOYSA-N 338.319 4.368 5 50 EIBA CCSc1nc2ccccc2n1Cc1ccc(OC)c([N+](=O)[O-])c1 33231 DKQKBIISIYYZTA-UHFFFAOYSA-N 343.408 4.113 5 50 EIBA Cc1cc2c(cc1C)[C@@H](c1cc([N+](=O)[O-])ccc1Cl)CC(=O)N2 108776 NKUNMUZCIFMFRU-GFCCVEGCSA-N 330.771 4.339 5 50 EIBA CC(C)(C)OC(=O)n1cc(Br)c2ccc([N+](=O)[O-])cc21 90367529 GPNILAWQQQYXJF-UHFFFAOYSA-N 341.161 4.095 5 50 EIBA in-vitro CCOc1ccc2c(ccc(/C=C/c3cccc([N+](=O)[O-])c3)[n+]2C)c1 4521796 WXWWGVDAPPVUCU-VQHVLOKHSA-N 335.383 4.142 5 50 EIBA O=[N+]([O-])c1ccc2ccc3c([N+](=O)[O-])cc([N+](=O)[O-])c4ccc1c2c34 43427375 BXOXVTWMJCUYLW-UHFFFAOYSA-N 337.247 4.309 5 50 EIBA O=C(Nc1cc([N+](=O)[O-])ccc1F)c1scnc1C1CCCC1 183823583 YPIKKWIKRUYWQJ-UHFFFAOYSA-N 335.360 4.100 5 50 EIBA O=[N+]([O-])c1ccc(NCCOc2ccc(Cl)cc2)c2ncccc12 4132640 GZZFHFXYHAJRNX-UHFFFAOYSA-N 343.770 4.287 5 50 EIBA Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C)c2ccccc2Cl)c1F 170610059 WKBYHNOWDUKKKW-SNVBAGLBSA-N 336.750 4.187 5 50 EIBA CCOc1ccccc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 303497 DETKAPAXKYBEAG-CSKARUKUSA-N 346.770 4.299 5 50 EIBA O=[N+]([O-])c1cccc(-c2csc([C@H]3COc4ccccc4O3)n2)c1 438654 OCAQDTLWUHHCOK-MRXNPFEDSA-N 340.360 4.231 5 50 EIBA CC(C)(C)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 4565445 DOPIJUBMQDOCOF-UHFFFAOYSA-N 344.323 4.020 5 50 EIBA Cc1ccc([N+](=O)[O-])cc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 462166 QSOORNXWAROILC-UHFFFAOYSA-N 348.786 4.353 5 50 EIBA COc1c(Cl)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Cl 5122686 WSTCSMWNCCAPFO-UHFFFAOYSA-N 341.150 4.163 5 50 EIBA Cc1ccc(-n2c(=O)c3ccccc3c3ccccc3c2=O)c(C)c1 312883 CIAVYLDSHFQUQM-UHFFFAOYSA-N 327.383 4.121 5 50 EIBA CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 41383 JCJDOVRWIBXGDE-PWSUYJOCSA-N 329.183 4.125 5 50 EIBA O=[N+]([O-])c1c(Nc2cc(Cl)ccc2Cl)ccc2nonc12 4974105 BBYMHQGYGSHDFF-UHFFFAOYSA-N 325.111 4.181 5 50 EIBA O=[N+]([O-])c1c(SCc2ccccc2Cl)nc2sccn12 1395911 USOLHZBNDVOQSQ-UHFFFAOYSA-N 325.802 4.250 5 50 EIBA O=C(O[C@@H]1C[C@]23CC=CC[C@]12CCCC3)c1ccc([N+](=O)[O-])cc1 230110379 GHVXUURYWQXWHI-QRQLOZEOSA-N 327.380 4.421 5 50 EIBA O=[N+]([O-])c1ccc(-c2noc(-c3cccc(Br)c3)n2)cc1 87897 NGSJWBHJKKTDIX-UHFFFAOYSA-N 346.140 4.074 5 50 EIBA Cc1ccccc1OCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 4181156 JHBPOHXMGXGVKC-UHFFFAOYSA-N 340.301 4.413 5 50 EIBA Clc1cccc2nc3cccc(I)c3nc12 1848350232 NCNHCDIQYMGFSZ-UHFFFAOYSA-N 340.551 4.041 5 50 EIBA O=[N+]([O-])c1ccc(-c2nc(Cl)oc2-c2ccc([N+](=O)[O-])cc2)cc1 2519681 GZIJTMXDZYYOKD-UHFFFAOYSA-N 345.698 4.478 5 50 EIBA Cc1ccc2nc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])sc2c1 68312 SVRVLEQIKCYHFV-UHFFFAOYSA-N 347.783 4.419 5 50 EIBA Cc1ccc(OCCCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 4041794 YUAAYEGQOYENCQ-UHFFFAOYSA-N 328.368 4.009 5 50 EIBA O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(C(=O)c2ccccc2)cc1 4975339 UMWVOFILDADPPE-UHFFFAOYSA-N 346.342 4.078 5 50 EIBA COc1ccc(C(=O)Oc2ccc3c(c2C)CCCC3)cc1[N+](=O)[O-] 2847245 NNFVBCSTRORWOL-UHFFFAOYSA-N 341.363 4.010 5 50 EIBA Cc1cc(C(=O)Nc2cc(Cl)ccc2Cl)ccc1[N+](=O)[O-] 437244 SUCWNDRVOJEVJG-UHFFFAOYSA-N 325.151 4.462 5 50 EIBA O=C(/C=C/c1ccc(Br)cc1)Nc1cccc([N+](=O)[O-])c1 59706 MXKLQQPJULJWLF-RMKNXTFCSA-N 347.168 4.009 5 50 EIBA Cc1ccc(CSCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 610073 DJVRHAVQTKWETF-UHFFFAOYSA-N 330.409 4.084 5 50 EIBA Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 439919 WIKQAZWHKZQKFQ-UHFFFAOYSA-N 348.424 4.002 5 50 EIBA CC(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 305928 XTGGGFUHRVQTCA-YCRREMRBSA-N 344.754 4.103 5 50 EIBA CC[C@H](OC(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H](C)c1ccccc1 3125065 YQYBZRJNPSCVTO-SJCJKPOMSA-N 329.352 4.040 5 50 EIBA O=C(c1cccc([N+](=O)[O-])c1)N1CCC(c2cccc(Cl)c2)CC1 478274456 CWCVJEXHJDCKFY-UHFFFAOYSA-N 344.798 4.268 5 50 EIBA Cc1ccc([N+](=O)[O-])c(C(=N)c2ccc3ccccc3c2)c1[N+](=O)[O-] 6426480 QBHBFCMUZQFMOY-UHFFFAOYSA-N 335.319 4.381 5 50 EIBA O=C(Oc1ccccc1)c1cccc(COc2ccc([N+](=O)[O-])cc2)c1 2862507 QKRFVQYSZCMNEZ-UHFFFAOYSA-N 349.342 4.393 5 50 EIBA COc1cc(C=O)ccc1Oc1cc(C(F)(F)F)ccc1[N+](=O)[O-] 4858031 DSDYMQNFTLKDCP-UHFFFAOYSA-N 341.241 4.227 5 50 EIBA CSc1cccc(F)c1C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C 239782418 COKBWWZPSNTRME-UHFFFAOYSA-N 334.372 4.325 5 50 EIBA O=C(c1ccccc1)c1ccc(COc2ccc([N+](=O)[O-])cc2)cc1 1074554 OUANTAYJYXTLGG-UHFFFAOYSA-N 333.343 4.405 5 50 EIBA O=[N+]([O-])c1ccc(/C=C/c2ccccc2Br)c([N+](=O)[O-])c1 2170557 BLAQLCKDYYNNFC-AATRIKPKSA-N 349.140 4.436 5 50 EIBA O=c1oc2ccccc2c(NCCCCc2ccccc2)c1[N+](=O)[O-] 4106851 PVDUBOBIIXZRNC-UHFFFAOYSA-N 338.363 4.136 5 50 EIBA COC(=O)c1ccc(Oc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 167790 UZHOJCODGUFALF-UHFFFAOYSA-N 341.241 4.193 5 50 EIBA O=[N+]([O-])c1ccc(-c2nnc(-c3ccccc3Br)o2)cc1 456636 GREZSIXDXFDISG-UHFFFAOYSA-N 346.140 4.074 5 50 EIBA COc1cc(C)c(NC(=O)c2cccc([N+](=O)[O-])c2)cc1C(C)C 613882 DUULVVQOSQFGEI-UHFFFAOYSA-N 328.368 4.288 5 50 EIBA Cc1nc(-c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)cs1 169513 WTVZSOUJQQFGIT-UHFFFAOYSA-N 339.376 4.279 5 50 EIBA C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 464291 XTYCOVQAROQMMO-ZDUSSCGKSA-N 342.395 4.298 5 50 EIBA O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2ccc(F)cc2)o1 1063699 HCAPNFCLUSQATK-UHFFFAOYSA-N 326.283 4.246 5 50 EIBA O=C(Nc1cccc(-c2cnco2)c1)c1cc(Cl)ccc1[N+](=O)[O-] 323913127 SGLRGTGHEZOESM-UHFFFAOYSA-N 343.726 4.156 5 50 EIBA O=[N+]([O-])c1ccc([C@@H]2[C@@H]3C(c4ccccc4)=NC4(CCCCC4)N32)cc1 13154851 JCCUFLGXQUXPLE-ZCQKWSGTSA-N 347.418 4.483 5 50 EIBA CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 461062 LISHPBONRPBDPB-UHFFFAOYSA-N 334.759 4.044 5 50 EIBA CC1(C)CC(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC(C)(C)N1 4570943 IJOBZIJWMKELRX-UHFFFAOYSA-N 345.365 4.335 5 50 EIBA Cn1ncc2c(-c3ccsc3)c3oc4cc(O)cc(O)c4c3nc21 263587161 CWXFVMCMFWKABO-UHFFFAOYSA-N 337.360 4.007 5 50 EIBA CC1=NN(c2ccc([N+](=O)[O-])cc2)C/C1=C\N[C@H](C)c1ccccc1 4992087 UBDHNKIQTDJSKD-RFRKOGIWSA-N 336.395 4.025 5 50 EIBA Nc1c(-c2ccc([N+](=O)[O-])cc2)sc2nc3c(cc12)CCCC3 32612 IHYZFJACNBFRBN-UHFFFAOYSA-N 325.393 4.333 5 50 EIBA O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1-c1ccccc1 462213 QYRYYYVVCJNYQL-UHFFFAOYSA-N 332.359 4.443 5 50 EIBA O=[N+]([O-])/C=C/c1ccccc1OCc1ccc(Br)cc1 475720 XLGVDYRZFAFUJW-MDZDMXLPSA-N 334.169 4.276 5 50 EIBA Cc1cc2ncn(CCCOc3cccc([N+](=O)[O-])c3)c2cc1C 4759487 RIFIFPSBVROWNG-UHFFFAOYSA-N 325.368 4.030 5 50 EIBA CCN(CC)CCn1c2ccc(C)cc2c2nc3ccccc3nc21 5049930 ZELKVDGRMSLFAM-UHFFFAOYSA-N 332.451 4.388 5 50 EIBA O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(F)cc1 97418 IXTQGMUWWYEUHA-UHFFFAOYSA-N 348.380 4.319 5 50 EIBA Cc1ccc(C(C)C)c(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 48251 HOELDDRHIADZNV-UHFFFAOYSA-N 342.395 4.353 5 50 EIBA Cc1cc(Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1Cl 122492 MISCPAPMTQGHLZ-UHFFFAOYSA-N 326.135 4.429 5 50 EIBA O=C(Oc1ccc2oc3c(c2c1)CCCC3)c1ccccc1[N+](=O)[O-] 313986 IRGMJHBBZKDPPM-UHFFFAOYSA-N 337.331 4.439 5 50 EIBA CC(C)(C)OC(=O)n1cc(Br)c2cc([N+](=O)[O-])ccc21 2563792 JJARBZJMYYOONY-UHFFFAOYSA-N 341.161 4.095 5 50 EIBA in-vitro O=C(Oc1ccc(C2SCCS2)cc1)c1cccc([N+](=O)[O-])c1 42302 SWCVPXKFSKTDNC-UHFFFAOYSA-N 347.417 4.293 5 50 EIBA CC1CCN(C(=O)c2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC1 4858456 JPAAYYNEZXJHIN-UHFFFAOYSA-N 340.379 4.259 5 50 EIBA COc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] 103360 UNGXZSHOGCXDDQ-UHFFFAOYSA-N 341.150 4.163 5 50 EIBA C[C@@H]1CCCCN1C(=O)CCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 4542695 AJJYHMXMDOUONT-CQSZACIVSA-N 342.395 4.188 5 50 EIBA CC1CCN(c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)CC1 559753 ZSHWQFZZKQDZFV-UHFFFAOYSA-N 339.395 4.083 5 50 EIBA CCCOc1cccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 2064510 IGRXKTOWCIPQAM-UHFFFAOYSA-N 334.759 4.289 5 50 EIBA O=C(Nc1nccs1)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 179739 PNINDNZXKVWXKY-UHFFFAOYSA-N 341.348 4.096 5 50 EIBA Cc1cc(C)c2nc(NC(=O)c3cccc([N+](=O)[O-])c3)sc2c1 440407 YLBMTCCEYLUHQZ-UHFFFAOYSA-N 327.365 4.074 5 50 EIBA COc1ccc(N=c2cc(C)[nH]c3c(C)c(C)cc([N+](=O)[O-])c23)cc1 183398 FNUKHGSXTSMJBY-UHFFFAOYSA-N 337.379 4.242 5 50 EIBA Cc1c(C(=O)Nc2nc3c(C)cccc3s2)cccc1[N+](=O)[O-] 4814272 AKVHCOCFQQVZFS-UHFFFAOYSA-N 327.365 4.074 5 50 EIBA O=[N+]([O-])c1cccc(Cl)c1[C@H]1NN=C(Cc2ccccc2)S1 5018409 NBEWPQJRYPFGNF-HNNXBMFYSA-N 333.800 4.139 5 50 EIBA Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1Br 38576 ZROITSYPMMXTMA-UHFFFAOYSA-N 349.184 4.226 5 50 EIBA Cc1c(C(=O)NC(c2ccccc2)c2ccccc2)cccc1[N+](=O)[O-] 210509 UKJYQUBBSZEGHZ-UHFFFAOYSA-N 346.386 4.423 5 50 EIBA COc1cc(C)ccc1OCCCCOc1ccc([N+](=O)[O-])cc1 2983531 RZUKTTHGDBLVHP-UHFFFAOYSA-N 331.368 4.150 5 50 EIBA Cc1ccc(C)c(C2=NNC(c3ccc([N+](=O)[O-])cc3)=CS2)c1 5681909 JLHHYPKMVJLGNX-UHFFFAOYSA-N 325.393 4.208 5 50 EIBA CC(=O)[C@@H](C)Oc1cccc2c1ccc1c3c(c(=O)oc12)CCCC3 2873826 VCRKYJKGWJLJKM-CYBMUJFWSA-N 336.387 4.181 5 50 EIBA Cc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc(C(C)(C)C)cc1 5104465 UGIAIGGSJLOAOI-UHFFFAOYSA-N 342.395 4.218 5 50 EIBA CC(C)n1cc(-c2c3cnn(C)c3nc3c2oc2cc(O)ccc23)cn1 253397511 BLUVAYPQJXLHNX-UHFFFAOYSA-N 347.378 4.018 5 50 EIBA COc1ccc(C(C)(C)C)cc1NC(=O)c1ccccc1[N+](=O)[O-] 376269 QSMHOAKREKDQES-UHFFFAOYSA-N 328.368 4.153 5 50 EIBA COc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccccc1Cl 4949402 YEEVIUWRPAVTNW-UHFFFAOYSA-N 341.150 4.163 5 50 EIBA O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccccc1[N+](=O)[O-] 190913 RKXYTBUTCDIZQY-UHFFFAOYSA-N 343.339 4.110 5 50 EIBA O=[N+]([O-])c1cccc(Nc2ncnc3ccc(Br)cc23)c1 101731 ZDVOSWDXTULZMF-UHFFFAOYSA-N 345.156 4.044 5 50 EIBA COC(=O)c1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-] 900751 SUSRORUBZHMPCO-UHFFFAOYSA-N 342.134 4.481 5 50 EIBA in-vivo O=[N+]([O-])c1ccc(Oc2nc(C(F)(F)F)nc3ccccc23)cc1 1383135 ZXBKVJZFPUSIKQ-UHFFFAOYSA-N 335.241 4.349 5 50 EIBA CC1CCN(c2cc(N3CCC(C)CC3)c([N+](=O)[O-])cc2F)CC1 4819117 XZIUIWRZGKDEEZ-UHFFFAOYSA-N 335.423 4.207 5 50 EIBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)c(Cl)c1 2156383 YEMMQZKTUIGCCD-UHFFFAOYSA-N 341.150 4.163 5 50 EIBA O=[N+]([O-])c1cccc(CNCCc2ccc(Cl)cc2Cl)c1 19642785 SMAUYPSNMNBHEY-UHFFFAOYSA-N 325.195 4.234 5 50 EIBA O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C\c1cccc2ccccc12 274060 BBOAZFNUDWQDSV-PDGQHHTCSA-N 344.326 4.093 5 50 EIBA O=c1cc2oc3c4c5c(cc3nc-2c2ccccc12)CCCN5CCC4 3878687 GFKDRKRCBOFVSQ-UHFFFAOYSA-N 342.398 4.145 5 50 EIBA O=C(c1ccc([N+](=O)[O-])cc1Cl)N(c1ccccn1)C1CCCC1 154740507 XMGLDLWXKHHXGP-UHFFFAOYSA-N 345.786 4.233 5 50 EIBA CC1CCN(c2ccc(NC(=O)c3cccs3)cc2[N+](=O)[O-])CC1 4998323 GOSDUDGMNFYARX-UHFFFAOYSA-N 345.424 4.145 5 50 EIBA O=[N+]([O-])c1ccc(Nc2ccc(Br)cc2)c([N+](=O)[O-])c1 4347690 CSJQUFZYIASQTA-UHFFFAOYSA-N 338.117 4.009 5 50 EIBA COc1ccc(NC(=O)c2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 4616500 JQRIKEXPHQZXGL-UHFFFAOYSA-N 341.150 4.163 5 50 EIBA Cc1cccc(C(=O)NC(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] 464838 WBIXGDKLLJPONV-UHFFFAOYSA-N 346.386 4.423 5 50 EIBA O=C(CSc1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1 120891 CEWLFUSODJPNDS-UHFFFAOYSA-N 330.390 4.180 5 50 EIBA biogenic O=C(c1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1N1CCCC1 4701029 BKJZGPITMIGKDA-UHFFFAOYSA-N 330.771 4.079 5 50 EIBA CCOC(=O)c1cnc2ccccc2c1Nc1cccc([N+](=O)[O-])c1 98405 MTKZJYMABBOSHX-UHFFFAOYSA-N 337.335 4.063 5 50 EIBA COc1ccc([N+](=O)[O-])cc1NC(=O)N(c1ccccc1)C(C)C 1752571 ROQJJWLVFBMZDE-UHFFFAOYSA-N 329.356 4.050 5 50 EIBA O=[N+]([O-])c1ccc(-c2noc(/C=C/c3ccccc3Cl)n2)cc1 4978547 QRYSILFWCOZDRA-JXMROGBWSA-N 327.727 4.469 5 50 EIBA Cc1nn(C(C)(C)C)cc1[C@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 155803637 CJFJTUMONCFEMU-OLZOCXBDSA-N 330.432 4.267 5 50 EIBA Cc1cc(C(C)C)cc(C)c1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1 2989421 QKZKQUVEPHAVED-UHFFFAOYSA-N 349.408 4.103 5 50 EIBA Cc1ccc(C(C)(C)C)c(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 3957270 KTKVEEONWZLYAB-UHFFFAOYSA-N 342.395 4.218 5 50 EIBA Cc1ccc([C@@H](C)N=c2[nH]c3cc(F)c(F)cc3s2)cc1[N+](=O)[O-] 2325849089 GKNWCPCEPAZORN-SECBINFHSA-N 349.362 4.386 5 50 EIBA O=C(Nc1ccccc1C(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 441215 KFTSNVRUGSTPOU-UHFFFAOYSA-N 346.342 4.078 5 50 EIBA COc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] 103353 BDZYJQMEFCDSIR-UHFFFAOYSA-N 341.150 4.163 5 50 EIBA in-vivo O=C(Oc1ccccc1)c1ccccc1OCc1cccc([N+](=O)[O-])c1 471268 AFBBKOJYICWJCS-UHFFFAOYSA-N 349.342 4.393 5 50 EIBA O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccccc1Br 3081017 MJTKVTAQFCPVDQ-MDZDMXLPSA-N 347.168 4.009 5 50 EIBA O=[N+]([O-])c1ccc(-c2noc(-c3ccccc3Br)n2)cc1 443745 QQALYURNVIZPEL-UHFFFAOYSA-N 346.140 4.074 5 50 EIBA O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)cc1Cl 264254 TZDVRRQFYUCPHN-UHFFFAOYSA-N 325.151 4.083 5 50 EIBA Cc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1[N+](=O)[O-] 176866 KDTBRANYLGZVLT-UHFFFAOYSA-N 339.376 4.279 5 50 EIBA CC[C@@H](OC(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H](C)c1ccccc1 3125066 YQYBZRJNPSCVTO-YVEFUNNKSA-N 329.352 4.040 5 50 EIBA Cc1cc([N+](=O)[O-])ccc1NC(=O)c1c(-c2ccccc2)noc1C 4647167 XGAICCNEQMTUON-UHFFFAOYSA-N 337.335 4.119 5 50 EIBA O=[N+]([O-])c1c(Sc2nc3ccccc3s2)ccc2nsnc12 2866293 FRLQLQULNQMCFU-UHFFFAOYSA-N 346.418 4.360 5 50 EIBA Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(Cl)cc1Cl 4010636 ISRFSXBZWFZBAZ-UHFFFAOYSA-N 325.151 4.462 5 50 EIBA COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Sc1ccc(C)cc1 4832185 SMDWGXJRJQEUTE-LBPRGKRZSA-N 346.408 4.031 5 50 EIBA COc1cc(CNc2ccc(F)c(Cl)c2)c([N+](=O)[O-])cc1OC 280300 MXDZPNJPLNGQFR-UHFFFAOYSA-N 340.738 4.017 5 50 EIBA Cc1cc2c(cc1C)[C@H](c1cc([N+](=O)[O-])ccc1Cl)CC(=O)N2 108772 NKUNMUZCIFMFRU-LBPRGKRZSA-N 330.771 4.339 5 50 EIBA O=C(NC1c2ccccc2-c2ccccc21)c1cccc([N+](=O)[O-])c1 616390 FRKBYAFCVGUEDR-UHFFFAOYSA-N 330.343 4.095 5 50 EIBA CCOc1ccc(NC(=O)/C=C/c2ccccc2Cl)c([N+](=O)[O-])c1 4894393 POWVDPPZRRMOSG-JXMROGBWSA-N 346.770 4.299 5 50 EIBA COc1ccc(N(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C2CC2)cc1 283616 NEPFSKFZIQBYFG-ZDUSSCGKSA-N 340.379 4.049 5 50 EIBA Cc1c(OC(=O)c2ccccc2)ccc2c1oc(=O)c1ccccc12 307338 LCRMHLSQKIRETQ-UHFFFAOYSA-N 330.339 4.474 5 50 EIBA O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1cccs1 1518151 SBDIRULTYOESTB-UHFFFAOYSA-N 331.378 4.032 5 50 EIBA CCc1ccc2occ(CC(=O)Nc3cc([N+](=O)[O-])ccc3C)c2c1 2875477 UEONBZVUSRNWGF-UHFFFAOYSA-N 338.363 4.393 5 50 EIBA CCNc1cc(C)c(C)cc1-n1cnc(-c2ccc([N+](=O)[O-])cc2)c1 196146 CBTDUVDISNMPNT-UHFFFAOYSA-N 336.395 4.496 5 50 EIBA O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)Oc1cccc2cccnc12 2155947 KHWVZPBYPMLYHD-UHFFFAOYSA-N 343.726 4.407 5 50 EIBA O=[N+]([O-])c1ccc(N2CCCC2)cc1Sc1nc2ccccc2[nH]1 3876242 BVMWTMUSHQLPPU-UHFFFAOYSA-N 340.408 4.223 5 50 EIBA O=[N+]([O-])c1cccc(-c2noc(/C=C/c3ccccc3Cl)n2)c1 4978418 VZLWUBKXHMJTPK-CMDGGOBGSA-N 327.727 4.469 5 50 EIBA CCCCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 2897598 HRPVQHFORXPNOK-UHFFFAOYSA-N 328.368 4.334 5 50 EIBA Cc1cc2nc(NC(=O)c3cccc([N+](=O)[O-])c3C)sc2cc1C 6690879 SSFBWNQCASSJHF-UHFFFAOYSA-N 341.392 4.382 5 50 EIBA Cc1sc(NC(=O)c2ccccc2[N+](=O)[O-])nc1-c1ccccc1 175492 VFSSAMPVRZRYOL-UHFFFAOYSA-N 339.376 4.279 5 50 EIBA O=[N+]([O-])c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 1532140 HHMCAJWVGYGUEF-UHFFFAOYSA-N 328.202 4.314 5 50 EIBA in-vitro CC[C@H](C)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 5468800 SCURELDCIPSURR-NSHDSACASA-N 343.339 4.269 5 50 EIBA O=[N+]([O-])c1ccc(N2CCCC[C@H]2c2cc[nH]n2)nc1-c1ccccc1 241588361 PCKCJNSUOCOEDP-INIZCTEOSA-N 349.394 4.112 5 50 EIBA CC[C@@H](Oc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 471671 SRJRCYGIBFGBIM-OAHLLOKOSA-N 325.324 4.175 5 50 EIBA COCc1cc(C)nc2sc3c(ncn4c5ccccc5nc34)c12 81422 XVGSFMUFMJDPFH-UHFFFAOYSA-N 334.404 4.100 5 50 EIBA O=C(Nc1ccc(F)c(Cl)c1)c1cc([N+](=O)[O-])ccc1Cl 138305 WPRZWFYFIWYTTL-UHFFFAOYSA-N 329.114 4.293 5 50 EIBA O=C(O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 308299 GHYVZVBVSVKCPI-UHFFFAOYSA-N 332.362 4.054 5 50 EIBA COc1cccc(C(=O)Nc2c(C)cc(Cl)cc2C)c1[N+](=O)[O-] 225508184 VAWUGZHKPWVZMI-UHFFFAOYSA-N 334.759 4.126 5 50 EIBA O=[N+]([O-])c1c(Br)ccc(OCc2ccccc2)c1F 261493927 MBIODQJNAKWFBA-UHFFFAOYSA-N 326.121 4.075 5 50 EIBA CC(C)(C)c1csc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 432607 KAXQBFYQEMOXII-UHFFFAOYSA-N 339.804 4.255 5 50 EIBA COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Sc1ccc(C)cc1 4832186 SMDWGXJRJQEUTE-GFCCVEGCSA-N 346.408 4.031 5 50 EIBA O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)c1ccccc1 191218 RIUPCBPWZWFMFY-UHFFFAOYSA-N 330.390 4.180 5 50 EIBA O=[N+]([O-])c1cccc(C(=S)N2CCC(Cc3ccccc3)CC2)c1 610002 VMAMFHIKSDSHRW-UHFFFAOYSA-N 340.448 4.225 5 50 EIBA Cc1c(NC(=O)COc2ccc3ccccc3c2)cccc1[N+](=O)[O-] 38840 QZXQZGMLMZDWOK-UHFFFAOYSA-N 336.347 4.074 5 50 EIBA Cc1ccc2nc(SCc3cccc([N+](=O)[O-])c3)nc(C)c2c1 456594 UGQWBNVAYOBOCC-UHFFFAOYSA-N 325.393 4.447 5 50 EIBA C[N@+]12CCCC[C@@H]1[C@@H](OC(=O)C1(c3ccccc3)CCCC1)CCC2 245380451 ZIVXSNSWRIBHKJ-ZRCGQRJVSA-N 342.503 4.203 5 50 EIBA biogenic O=[N+]([O-])c1ccc(-c2csc(NCCc3ccccc3)n2)cc1 2561943 MSRUERFSGFEZQG-UHFFFAOYSA-N 325.393 4.373 5 50 EIBA O=[N+]([O-])c1ccc([C@@H]2[C@H]3C(c4ccccc4)=NC4(CCCCC4)[N@@]32)cc1 1857622190 JCCUFLGXQUXPLE-TXTKFYIRSA-N 347.418 4.483 5 50 EIBA O=C(OCC(F)(F)F)c1sc2cc([N+](=O)[O-])ccc2c1Cl 461465 KUSIQJHBQZUEAN-UHFFFAOYSA-N 339.678 4.182 5 50 EIBA O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 570047 CHXLZUNRSBYPAE-UHFFFAOYSA-N 345.786 4.101 5 50 EIBA CCOc1ccc([C@H]2Oc3ccccc3C=C2[N+](=O)[O-])cc1OCC 91563 HGMABLHBLUHIHZ-LJQANCHMSA-N 341.363 4.235 5 50 EIBA Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 4361119 QGBDGQBSJNOFDG-UHFFFAOYSA-N 328.368 4.044 5 50 EIBA O=C(Nc1cccc2c1CCCC2)c1ccc(Cl)cc1[N+](=O)[O-] 467020 PIRMMCUSYONWBO-UHFFFAOYSA-N 330.771 4.379 5 50 EIBA Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1[C@@H](C=C(Cl)Cl)C1(C)C 4426335 WJGBLBSCHKSPFU-ZWNOBZJWSA-N 343.210 4.433 5 50 EIBA CCc1ccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 4866613 DKQVYWSFOJDXCV-UHFFFAOYSA-N 327.365 4.019 5 50 EIBA C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 469044 LREWDYOBPTWYCV-SNVBAGLBSA-N 336.800 4.368 5 50 EIBA Cc1ccc(NC(=O)/C=C/c2c(F)cccc2Cl)cc1[N+](=O)[O-] 476519 ORAZUXZGWPXPQA-BQYQJAHWSA-N 334.734 4.348 5 50 EIBA CC[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(C)cc1 2762827 VXEAFDIBCBGORW-OAHLLOKOSA-N 332.787 4.438 5 50 EIBA Cc1ccc(C(C)C)c(OCCOc2ccc([N+](=O)[O-])cc2C=O)c1 2879451 LYVZCKUTFDDUEU-UHFFFAOYSA-N 343.379 4.297 5 50 EIBA O=C(Nc1ccc([N+](=O)[O-])cn1)c1sc2ccccc2c1Cl 3879104 JSDLQXZFJFZEHN-UHFFFAOYSA-N 333.756 4.110 5 50 EIBA O=c1[nH]c(/C=C/c2ccc([N+](=O)[O-])cc2)nc2cc3ccccc3cc12 9333807 YYPPVFMFCPGXKL-JXMROGBWSA-N 343.342 4.155 5 50 EIBA CC1=NN(c2ccc([N+](=O)[O-])cc2)C/C1=C\N[C@@H](C)c1ccccc1 4992085 UBDHNKIQTDJSKD-IQGJIOQQSA-N 336.395 4.025 5 50 EIBA COCc1ccc([C@H]2CCCN2c2ccc([N+](=O)[O-])cc2Cl)o1 161660727 ZJJVZMVHTAKNNQ-OAHLLOKOSA-N 336.775 4.329 5 50 EIBA O=Cc1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 454415 WJVWDZANNMFNTG-UHFFFAOYSA-N 326.135 4.293 5 50 EIBA O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1cc2ccccc2cc1O 4010181 GQGQEKFIEKXCKS-UHFFFAOYSA-N 342.738 4.359 5 50 EIBA Cc1cc([N+](=O)[O-])ccc1NC(=O)Nc1cnn(C2CCCC2)c1C 194028081 RIMDGLGZRHDUOU-UHFFFAOYSA-N 343.387 4.167 5 50 EIBA Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(Cl)c1 4819753 BATLAWZDEKQQKC-UHFFFAOYSA-N 325.151 4.462 5 50 EIBA O=C(CCNc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 446315 KFCPVCCIYPGHHK-UHFFFAOYSA-N 349.184 4.042 5 50 EIBA Cc1ccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c(Cl)c1 4840622 ZGITUCYRJNSJPZ-UHFFFAOYSA-N 347.783 4.419 5 50 EIBA Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(C(C)C)c(C)c1 142421 ZOUMENSGLGXTHV-UHFFFAOYSA-N 342.395 4.353 5 50 EIBA Cc1ccc(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 562755 GBASEMNGQSBZCP-ZDUSSCGKSA-N 330.409 4.331 5 50 EIBA Cc1cc(Br)cc(C)c1NC(=O)c1cccc([N+](=O)[O-])c1 2818121 LVKLMHOPFQVXDM-UHFFFAOYSA-N 349.184 4.226 5 50 EIBA C[C@@H]1CCc2cc(F)ccc2N1C(=O)Nc1cccc([N+](=O)[O-])c1 612352 DCSQLTJAUOIPON-LLVKDONJSA-N 329.331 4.107 5 50 EIBA Cc1cc([N+](=O)[O-])c(N(C)C2CC(OC(C)(C)C)C2)cc1Cl 2325827723 OOHJEWGJZLLRKV-UHFFFAOYSA-N 326.824 4.339 5 50 EIBA Cc1nc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)cs1 62519 JOEPTXQHTZFOHA-UHFFFAOYSA-N 339.376 4.279 5 50 EIBA O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 3127381 SLNLHCNTYDLBQB-UHFFFAOYSA-N 329.114 4.293 5 50 EIBA CC(C)Oc1ccc(C(=O)OC[C@@H]2CCC[N@+]3(C)CCCC[C@@H]23)cc1 245232550 XGTLNLLQOKXQNE-VCOUNFBDSA-N 346.491 4.040 5 50 EIBA biogenic C[C@H](CC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccccc1 303078 XCJRXPUYESSRBG-LLVKDONJSA-N 341.392 4.337 5 50 EIBA CCc1c(C)c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2oc1=O 462995 LJUWGUSSARDXSD-UHFFFAOYSA-N 339.347 4.151 5 50 EIBA O=C(OCc1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 2509172 PQDXTQOCKDRWCH-UHFFFAOYSA-N 326.135 4.259 5 50 EIBA O=C(CSc1nc2cc(Cl)ccc2o1)c1cccc([N+](=O)[O-])c1 119424 POZHNEWWSAWFCU-UHFFFAOYSA-N 348.767 4.364 5 50 EIBA Cc1cc(C(=O)Oc2ccc(Cl)c3cccnc23)ccc1[N+](=O)[O-] 453493 OFWWUARMAXVJMB-UHFFFAOYSA-N 342.738 4.324 5 50 EIBA Cc1ccc(NC(=O)c2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 4423198 HGXSHYUCIHBFOJ-UHFFFAOYSA-N 325.151 4.462 5 50 EIBA Cc1cccc(N2C(=O)S/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)c1 4471735 RKWUUHMDFUIQIA-XNTDXEJSSA-N 340.360 4.144 5 50 EIBA Cc1cc(Br)ccc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 438371 GFXPUOGCTHZDNA-UHFFFAOYSA-N 349.184 4.226 5 50 EIBA O=C(Nc1ccc(N2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1Cl 859438 OADNNBYIIHXSPK-UHFFFAOYSA-N 345.786 4.101 5 50 EIBA O=C(O)c1cc(-c2ccc(Cl)cc2)nc2ccc([N+](=O)[O-])cc12 4802314 PUFCSJOWIQVTDI-UHFFFAOYSA-N 328.711 4.162 5 50 EIBA O=C(Nc1nc2ccc(Cl)cc2s1)c1ccccc1[N+](=O)[O-] 282876 QDYACUVANWIVJT-UHFFFAOYSA-N 333.756 4.110 5 50 EIBA Cc1ccc(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1C 2897248 OMLLHRIHMHUPMG-UHFFFAOYSA-N 334.169 4.205 5 50 EIBA Cc1cc(OCC(=O)Nc2ccccc2[N+](=O)[O-])ccc1C(C)C 4040477 YGXUKDOOJWYQBX-UHFFFAOYSA-N 328.368 4.044 5 50 EIBA O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccccc1[N+](=O)[O-] 278972 VFYSZQVUKHREJS-UHFFFAOYSA-N 330.343 4.418 5 50 EIBA O=[N+]([O-])c1ccc2nc(N3CCCCC3)nc(-c3ccccc3)c2c1 189127 GZIBORCCDHDQKS-UHFFFAOYSA-N 334.379 4.195 5 50 EIBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(Cl)c1Cl 310483 GNSRIRLXZDQFEA-UHFFFAOYSA-N 341.150 4.163 5 50 EIBA C[C@@H]1CCc2cc(F)ccc2N1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 461427 HPXFSQXFORWOEE-HQIZRNBFSA-N 340.354 4.115 5 50 EIBA O=[N+]([O-])c1ccc(Nc2nc(-c3cccs3)cs2)c([N+](=O)[O-])c1 6276667 AITDTBZGIAGODY-UHFFFAOYSA-N 348.365 4.432 5 50 EIBA CCOc1ccc([N+](=O)[O-])cc1/C=C/c1ccc2cccc(O)c2n1 4140787 HDJYKSUFZMINBY-VQHVLOKHSA-N 336.347 4.418 5 50 EIBA CC[C@H](C)c1ccc(OCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 4823543 WPAFOBDKLSZORN-ZDUSSCGKSA-N 328.368 4.126 5 50 EIBA CCc1c(-c2nnc(-c3ccc(OC)c([N+](=O)[O-])c3)o2)csc1C 17071982 SPNSTEMVXHYLBS-UHFFFAOYSA-N 345.380 4.253 5 50 EIBA CCOc1ccc(C(=O)OCC[C@@H]2CCC[N@@+]3(C)CCCC[C@H]23)cc1 252441178 JKGLLRLAYPIYPO-UCNVEGJOSA-N 346.491 4.041 5 50 EIBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(Br)cc1 63824 MSOYTFNWHUWWRR-RUDMXATFSA-N 347.168 4.009 5 50 EIBA Cc1cc(C)c(NC(=O)COc2ccc([N+](=O)[O-])cc2Cl)c(C)c1 471892 JJHHWUDMFJNRIE-UHFFFAOYSA-N 348.786 4.191 5 50 EIBA COc1ccc(CCC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1Cl 4542182 NOAVJAYTUDEMPP-UHFFFAOYSA-N 348.786 4.137 5 50 EIBA O=C(O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 2872929 MXLQVAQMSZOUEX-UHFFFAOYSA-N 343.282 4.463 5 50 EIBA Cc1ccc(-c2ccncc2)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 363196965 YQWOSQIAJJRZSD-UHFFFAOYSA-N 347.374 4.146 5 50 EIBA Cc1c(C(=O)N(Cc2ccccc2)c2ccccn2)cccc1[N+](=O)[O-] 209596 DUUSPHJJRISQCG-UHFFFAOYSA-N 347.374 4.145 5 50 EIBA O=[N+]([O-])c1cccc(-c2ccc(/C=C3/SC(=S)N=C3O)o2)c1 3150822 AQEZUPQHAAIZRW-KPKJPENVSA-N 332.362 4.184 5 50 EIBA O=c1c2ccccc2oc2cc(OCc3cccc(F)c3)cc(O)c12 8519997 RJEJETBPHOQVPS-UHFFFAOYSA-N 336.318 4.370 5 50 EIBA Cc1c(Cl)cccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 258994 CSKWLOAAYYGYIA-UHFFFAOYSA-N 325.151 4.462 5 50 EIBA O=[N+]([O-])c1c(N2CCC[C@@H](c3ccccc3)CC2)nc2sccn12 170620644 CPCYCCVOGWVCFX-CQSZACIVSA-N 342.424 4.078 5 50 EIBA Cc1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc(C)c1Cl 555942 MNIKPFIRRCRPLA-UHFFFAOYSA-N 348.786 4.191 5 50 EIBA O=C(O)/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 33907369 CKHXVADFKROKGX-SFQUDFHCSA-N 335.315 4.480 5 50 EIBA CC1(C)[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H]1C=C(Cl)Cl 41382 JCJDOVRWIBXGDE-CMPLNLGQSA-N 329.183 4.125 5 50 EIBA O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc([N+](=O)[O-])ccc1Cl 4573521 UWUHEGCDMOKCSZ-UHFFFAOYSA-N 348.830 4.194 5 50 EIBA Cc1nn(C(C)(C)C)cc1[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 155803285 CJFJTUMONCFEMU-QWHCGFSZSA-N 330.432 4.267 5 50 EIBA Cc1c(CNc2ccccc2[C@@H](O)C(F)(F)F)cccc1[N+](=O)[O-] 272158213 WXRCKPDVFZYUGH-OAHLLOKOSA-N 340.301 4.111 5 50 EIBA Cc1ccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)c(C)c1 353991 SUJZKVRSVRWPAQ-UHFFFAOYSA-N 346.342 4.165 5 50 EIBA C[N+](C)(CCCCCC[N+](C)(C)Cc1ccco1)Cc1ccco1 670425657 LLIUVSRWFHKAML-UHFFFAOYSA-N 334.504 4.286 5 50 EIBA COc1ccc([N+](=O)[O-])cc1NC(=O)CCSc1ccc(C)cc1 555091 PCZTVBVWTSFFKN-UHFFFAOYSA-N 346.408 4.033 5 50 EIBA O=C(CCSc1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl 4740509 YTDKPGXMGVVNOH-UHFFFAOYSA-N 336.800 4.369 5 50 EIBA COc1ccc(NC(=O)[C@@H](C)Sc2ccc(C)cc2)c([N+](=O)[O-])c1 4831982 AHYZXHCTAOKODE-GFCCVEGCSA-N 346.408 4.031 5 50 EIBA O=C(O[C@]12C[C@H]3CC[C@@]1(C3)[C@H]1CC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 101140362 LDNQCFDYKXICET-REBZHTEESA-N 327.380 4.111 5 50 EIBA COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1[N+](=O)[O-] 112967180 VKEKKVCWODTGAP-UHFFFAOYSA-N 348.721 4.083 5 50 EIBA in-vitro O=[N+]([O-])c1ccccc1Sc1c(-c2ccccc2)nc2ncccn12 189836 NHLDIMZUGKCNGL-UHFFFAOYSA-N 348.387 4.456 5 50 EIBA O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cc(C(F)(F)F)ccc1F 5061086 MGFSPKQSEPFKQP-UHFFFAOYSA-N 343.236 4.397 5 50 EIBA Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 370758 YBEXYMBTVLZVNO-GFCCVEGCSA-N 332.787 4.356 5 50 EIBA O=C(NC1CCCCC1)c1ccc(NC2CCCCC2)c([N+](=O)[O-])c1 5064169 HXONRUDROVDYLH-UHFFFAOYSA-N 345.443 4.402 5 50 EIBA COc1ccc(Cl)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 103057 DRQFLUZWORXURW-UHFFFAOYSA-N 341.150 4.163 5 50 EIBA Cc1ccc([N+](=O)[O-])cc1NC(=O)c1c(-c2ccccc2)noc1C 178900 XMSMQVHGTZZYAN-UHFFFAOYSA-N 337.335 4.119 5 50 EIBA Cc1ccc(C(=O)Nc2ccc3c4c(cccc24)CC3)cc1[N+](=O)[O-] 291675 UJVHUUYCRQTNNT-UHFFFAOYSA-N 332.359 4.407 5 50 EIBA aggregator O=C(NCCSC1CCCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 2815091 NULLSNWZJHZCRM-UHFFFAOYSA-N 342.848 4.044 5 50 EIBA O=C1c2ccccc2N[C@H](c2cccc([N+](=O)[O-])c2)N1c1ccccc1 454653 QRCVACDUDPGDND-IBGZPJMESA-N 345.358 4.366 5 50 EIBA CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 95831089 QYACWUAPVKEIAD-UHFFFAOYSA-N 338.360 4.271 5 50 EIBA O=[N+]([O-])c1ccc2nc(Sc3nc4ccccc4[nH]3)sc2c1 80293 JVLXNNQUGMOOCV-UHFFFAOYSA-N 328.378 4.232 5 50 EIBA CCOc1ccc(NC(=O)c2cccc3ccccc23)c([N+](=O)[O-])c1 3900184 CRPIOGLSKNRHEM-UHFFFAOYSA-N 336.347 4.399 5 50 EIBA CCOC(OCC)c1ccc(/C=C/c2onc(C)c2[N+](=O)[O-])cc1 1395598 MXJRHJLMTIZMFD-DHZHZOJOSA-N 332.356 4.133 5 50 EIBA O=C(/C=C/c1ccc(Br)cc1)Nc1ccc([N+](=O)[O-])cc1 4401979 UJQWXZXKRSQPAW-XCVCLJGOSA-N 347.168 4.009 5 50 EIBA O=C(c1ccc([N+](=O)[O-])cc1)N1CCS[C@H]1c1ccccc1Cl 68997 VGEWQWGHRRYTBH-INIZCTEOSA-N 348.811 4.136 5 50 EIBA O=C(Nc1cc([N+](=O)[O-])ccc1F)Nc1ccccc1C(F)(F)F 1753520 LBOWFKFZUOSSOR-UHFFFAOYSA-N 343.236 4.397 5 50 EIBA COc1ccc(OCCCOc2ccc([N+](=O)[O-])cc2Cl)cc1 2991060 QKWQYAMHRWCITR-UHFFFAOYSA-N 337.759 4.105 5 50 EIBA Cc1cc(OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)ccc1Cl 80713 ADXVHBCEALSYTM-UHFFFAOYSA-N 345.742 4.186 5 50 EIBA Cc1ccc(NC(=O)c2c(-c3ccccc3)noc2C)c([N+](=O)[O-])c1 4902146 JDCMWPBTTTXWAN-UHFFFAOYSA-N 337.335 4.119 5 50 EIBA O=[N+]([O-])c1ccc([C@H]2[C@H]3C(c4ccccc4)=NC4(CCCC4)[N@]32)cc1 1857622168 SLIMGDFBHBKUFV-JQVVWYNYSA-N 333.391 4.093 5 50 EIBA O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Oc1ccccc1 3124825 BLKIBZAUQIQZGK-UHFFFAOYSA-N 328.202 4.314 5 50 EIBA O=C(CSc1nc2ccccc2s1)c1ccccc1[N+](=O)[O-] 120896 AMEQYAORFHSPLI-UHFFFAOYSA-N 330.390 4.180 5 50 EIBA CCCCNc1ccc(C(=O)N(CC)c2ccccc2)cc1[N+](=O)[O-] 5063485 UWVVSKQQQFHXRY-UHFFFAOYSA-N 341.411 4.474 5 50 EIBA CCCCOc1ccc(/C=C/C(=O)Nc2ccccc2[N+](=O)[O-])cc1 4056332 RHJLBHKGFVEFKZ-JLHYYAGUSA-N 340.379 4.426 5 50 EIBA COc1ccc(-c2csc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1 4706943 OGLUJBPZUUFAHR-UHFFFAOYSA-N 327.365 4.471 5 50 EIBA O=C(CSCc1ccccc1Cl)Nc1cccc([N+](=O)[O-])c1 460166 NCUTWTCWEXYCQL-UHFFFAOYSA-N 336.800 4.120 5 50 EIBA Cc1ccc(NC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 999996 CIVOZVSBNJWMPR-UHFFFAOYSA-N 328.353 4.157 5 50 EIBA CCOc1ccc(C(=O)Nc2c(C)cccc2CC)cc1[N+](=O)[O-] 309322 MTNJLZBYRTTXJK-UHFFFAOYSA-N 328.368 4.117 5 50 EIBA O=C(O)[C@@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)c1ccccc1 4980058 WIPFLHRMYUMKKE-IBGZPJMESA-N 346.338 4.151 5 50 EIBA Cc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 102894 VNKILQNNNYOVJY-UHFFFAOYSA-N 325.151 4.462 5 50 EIBA in-vivo Cc1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1[N+](=O)[O-] 370200 KOUVPVCFPACACH-UHFFFAOYSA-N 337.335 4.119 5 50 EIBA Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 3958846 JTADBJGWMHVKKM-UHFFFAOYSA-N 328.368 4.044 5 50 EIBA Cc1ccc(OC(F)F)c(NC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 5063124 SNOHWFINLIOSJX-UHFFFAOYSA-N 337.282 4.149 5 50 EIBA COc1ccccc1-n1cc(-c2ccc([N+](=O)[O-])cc2)[nH]c1=S 193557 CMTMTLVIGYPLGJ-UHFFFAOYSA-N 327.365 4.119 5 50 EIBA Cc1cc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c(C)o1 1055697 CFDCMHNRUFHYOY-UHFFFAOYSA-N 343.364 4.180 5 50 EIBA COC(=O)c1sccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 82508 SANSDZOSLVQHLX-UHFFFAOYSA-N 347.270 4.254 5 50 EIBA O=[N+]([O-])c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 2169628 RCPUUVXIUIWMEE-UHFFFAOYSA-N 333.350 4.264 5 50 EIBA in-vitro O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc([N+](=O)[O-])o1 216495 SKWYFUCFQJMSRC-UHFFFAOYSA-N 334.637 4.112 5 50 EIBA COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1ccc(C)cc1 555066 NKINOKMLJASBGR-GFCCVEGCSA-N 346.408 4.031 5 50 EIBA Cc1cc(Br)c(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1C 460420 QVCRIJUEKYLNNQ-UHFFFAOYSA-N 349.184 4.226 5 50 EIBA Cc1ccc(NC(=O)N(Cc2ccccc2)C(C)C)cc1[N+](=O)[O-] 2172217 CMSCBGILKYYVCJ-UHFFFAOYSA-N 327.384 4.346 5 50 EIBA COc1ccc([C@H](C)N[C@@H](C)c2cc(F)ccc2F)cc1[N+](=O)[O-] 2325783191 BIOCFPYCTGLDPZ-QWRGUYRKSA-N 336.338 4.293 5 50 EIBA O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1cccc(F)c1 450792 BKKPCNMJXIKDFJ-UHFFFAOYSA-N 343.339 4.110 5 50 EIBA O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc2ccccc2c1O 4774863 DACDOWVXWKIAAT-UHFFFAOYSA-N 342.738 4.359 5 50 EIBA Cc1cc(C(=N)c2ccc3ccccc3c2)c([N+](=O)[O-])cc1[N+](=O)[O-] 2519761 DCEMSWGGPAAJQJ-UHFFFAOYSA-N 335.319 4.381 5 50 EIBA CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccsc1Cl 408515964 CZNMSELOWGARMM-UHFFFAOYSA-N 339.804 4.016 5 50 EIBA CCCCOc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)c1 2973109 HBBTWRQNQJNASI-UHFFFAOYSA-N 332.331 4.165 5 50 EIBA O=C(c1cc(C2CC2)no1)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 242389685 ZZOMLGGNYDCCHP-UHFFFAOYSA-N 341.367 4.050 5 50 EIBA Cc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 98222 LFVLOIVALBOWMM-UHFFFAOYSA-N 339.376 4.279 5 50 EIBA Cc1cc(C)c(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c(C)c1 145380 RTBYTCXYXMZJEU-UHFFFAOYSA-N 341.392 4.382 5 50 EIBA O=C(CCCc1c[nH]c2ccccc12)OCc1ccc([N+](=O)[O-])cc1 1395338 GRXNQKWXKCTVBH-UHFFFAOYSA-N 338.363 4.142 5 50 EIBA CCOc1ccc([C@@H](C)NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1 5042025 ZTTQRCWCOPGRHU-GFCCVEGCSA-N 345.424 4.041 5 50 EIBA O=C(Oc1ccc(Cl)c2cccnc12)c1cccc([N+](=O)[O-])c1 454319 HGLVVBKRUBVMGH-UHFFFAOYSA-N 328.711 4.016 5 50 EIBA Cc1cccc(Oc2cc(NC(=O)c3ccncc3)cc([N+](=O)[O-])c2)c1 2908799 MKQWUNGBOVVDFZ-UHFFFAOYSA-N 349.346 4.343 5 50 EIBA CCOc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1[N+](=O)[O-] 3000031 WZNKBLIOAZXXAS-UHFFFAOYSA-N 338.722 4.038 5 50 EIBA CC(=O)Nc1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 1690501 AIDBMRDYFJRVOL-UHFFFAOYSA-N 340.257 4.364 5 50 EIBA CC(=O)Oc1cccc2ccc(/C=C/c3cccc([N+](=O)[O-])c3)nc12 4845141 YSMINWGHUDJUOX-CSKARUKUSA-N 334.331 4.239 5 50 EIBA c1ccc(-c2nc3sc4c(ncn5cnnc45)c3c3c2CCC3)cc1 551821 YLBBADJPXQKLPU-UHFFFAOYSA-N 343.415 4.043 5 50 EIBA COc1ccccc1Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 2384471 WBTWDMYKDFKSDV-UHFFFAOYSA-N 327.365 4.471 5 50 EIBA O=[N+]([O-])c1cccc(OCCCCCOc2cccc([N+](=O)[O-])c2)c1 2164822 WCJSSULXVRRUJR-UHFFFAOYSA-N 346.339 4.131 5 50 EIBA COc1cc(CN2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c([N+](=O)[O-])cc1OC 105712786 SOIXHKKBQYORBU-KUHUBIRLSA-N 348.443 4.013 5 50 EIBA O=C(Nc1nccs1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 179744 SDVHOISACFFTSA-UHFFFAOYSA-N 341.348 4.096 5 50 EIBA O=C(c1cccc([N+](=O)[O-])c1)N1CCS[C@@H]1c1ccc(Cl)cc1 431765 BBQZKQBSJOQFSM-MRXNPFEDSA-N 348.811 4.136 5 50 EIBA O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccccc1[N+](=O)[O-] 569616 YXKXHGQWYNXLGM-UHFFFAOYSA-N 345.786 4.101 5 50 EIBA aggregator COc1ccc([N+](=O)[O-])cc1NCc1cccc(C(F)(F)F)c1 293387 CSENYZXBQJEECL-UHFFFAOYSA-N 326.274 4.234 5 50 EIBA Cc1ccc(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 615807 XNMLGTGWIFNIIA-UHFFFAOYSA-N 327.365 4.246 5 50 EIBA O=C(CCNc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 2522051 HEEWOUATVDFPJP-UHFFFAOYSA-N 349.184 4.042 5 50 EIBA O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1ccc([N+](=O)[O-])o1 4869334 RIEPNVIJQQQZKM-UHFFFAOYSA-N 334.637 4.112 5 50 EIBA C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 471718 WTWVMOMTZUCOLM-SNVBAGLBSA-N 338.285 4.356 5 50 EIBA Cc1cc(OCc2ccc([N+](=O)[O-])cc2)c2c(C)c(C)c(=O)oc2c1 1164952 ANFBYOOZWHGHIY-UHFFFAOYSA-N 339.347 4.205 5 50 EIBA COc1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 5318671 CKFXGIOHNGCDBS-UHFFFAOYSA-N 326.359 4.335 5 50 EIBA Cc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 4037304 UJLANWFGDJWPIN-UHFFFAOYSA-N 342.395 4.218 5 50 EIBA CCN(CC)C(=O)c1ccccc1Sc1ccc([N+](=O)[O-])cc1 2880050 JOWSUTHZKBJNEO-UHFFFAOYSA-N 330.409 4.228 5 50 EIBA O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1Cl 292801 WGPOMDBZYVWHJW-UHFFFAOYSA-N 325.151 4.083 5 50 EIBA O=C(Nc1cccc(CCc2ccccn2)c1)c1ccc([N+](=O)[O-])cc1 4841025 YWDWZENZQGTPIJ-UHFFFAOYSA-N 347.374 4.027 5 50 EIBA CCC1(CC)O[C@@H]2c3ccc([N+](=O)[O-])cc3C(=O)N2c2ccccc21 4742804 RFQACLSHYIWOMK-GOSISDBHSA-N 338.363 4.299 5 50 EIBA CCOc1ccc(C(=O)OCC[C@H]2CCC[N@@+]3(C)CCCC[C@@H]23)cc1 252460951 JKGLLRLAYPIYPO-PIPMEXSNSA-N 346.491 4.041 5 50 EIBA biogenic CCc1ccc(OCCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 1773471 ULEONYJRYAZWDS-UHFFFAOYSA-N 342.395 4.263 5 50 EIBA CCC(C(=O)Nc1cccc([N+](=O)[O-])c1)(C(F)(F)F)C(F)(F)F 3124621 ISJLJLLIGUHQDW-UHFFFAOYSA-N 344.211 4.054 5 50 EIBA biogenic Cc1ccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(Cl)c1 458169 UZNNGRTXJDILCI-UHFFFAOYSA-N 325.151 4.462 5 50 EIBA O=C(NCCCCc1ccccc1)c1ccc([N+](=O)[O-])cc1Cl 2744678 GLFDWNLQHSISMK-UHFFFAOYSA-N 332.787 4.001 5 50 EIBA Cc1ccc2c(Cl)c(C(=O)Nc3ccc([N+](=O)[O-])cn3)sc2c1 4619740 XDPHANZXGQJRGE-UHFFFAOYSA-N 347.783 4.419 5 50 EIBA C[C@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(F)c(F)c1 110174702 CKTQGAVWIHEFFK-QMMMGPOBSA-N 340.713 4.017 5 50 EIBA Cc1c(O)ccc2c1oc1c(-c3ccc(O)cc3)c3cn[nH]c3nc12 218240996 UUBDXHOMOWSZGJ-UHFFFAOYSA-N 331.331 4.244 5 50 EIBA Cc1cc(Cl)c(Cl)cc1NC(=O)c1cccc([N+](=O)[O-])c1 1738729 TYSAMKNZLRUHDL-UHFFFAOYSA-N 325.151 4.462 5 50 EIBA O=C(Nc1ccc([N+](=O)[O-])cc1)c1c2c(nc3ccccc13)CCCC2 4542247 NYJXGEIOLFDHTA-UHFFFAOYSA-N 347.374 4.274 5 50 EIBA O=C(NCc1ccco1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 4819561 WBINBJPLMAGRQQ-CPNJWEJPSA-N 348.358 4.045 5 50 EIBA COc1ccc(NC(=O)c2c(C)c(C)c(C)c(C)c2C)c([N+](=O)[O-])c1 4997038 WWDCNXPKKMMZFV-UHFFFAOYSA-N 342.395 4.398 5 50 EIBA CCOc1ccccc1OCCCOc1ccc(C)cc1[N+](=O)[O-] 2986857 FAALKWLGPRJOQC-UHFFFAOYSA-N 331.368 4.150 5 50 EIBA CC1CCN(C(=O)CCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 4542667 HGYYPZZXHBUCOT-UHFFFAOYSA-N 342.395 4.046 5 50 EIBA C[C@@H](Nc1ccc2cc(F)cc([N+](=O)[O-])c2n1)c1cccc(O)c1 170603425 MZKHXZBITZSHTE-SNVBAGLBSA-N 327.315 4.161 5 50 EIBA Cc1ccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1Cl 1069204 HDMLRTCCVGFHLE-UHFFFAOYSA-N 347.783 4.419 5 50 EIBA CSc1cccc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c1 1137768 WTAIKIVQOHRWCP-UHFFFAOYSA-N 348.449 4.189 5 50 EIBA CCOc1ccc(OCCCOc2ccc(C)cc2[N+](=O)[O-])cc1 4701788 YQNQSXFGJOJJOL-UHFFFAOYSA-N 331.368 4.150 5 50 EIBA Cc1ccc(C(=O)Nc2nc3c(C)cccc3s2)cc1[N+](=O)[O-] 467686 CEFXDZHEZAPSSY-UHFFFAOYSA-N 327.365 4.074 5 50 EIBA COc1ccc(NC(=O)c2cc3ccccc3c3cccnc23)c(C)n1 225473247 JAFGWZPMKJCTBI-UHFFFAOYSA-N 343.386 4.352 5 50 EIBA Cc1ccc(COC(=O)c2c(C)n(C)c3ccccc23)cc1[N+](=O)[O-] 2325862760 HTGUUHSUWISPFD-UHFFFAOYSA-N 338.363 4.060 5 50 EIBA COc1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c1 5063790 CNZVNZDPZHRGHZ-UHFFFAOYSA-N 344.411 4.148 5 50 EIBA COc1cc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)ccc1O 6027220 NGYYWWLLVFOTRH-UHFFFAOYSA-N 342.358 4.041 5 50 EIBA Cc1cc(C)c(C(=O)OC[C@@H]2CCC[N@@+]3(C)CCCC[C@H]23)cc1C 252460756 HXRDLTAYKDJZSA-CZTZKLFOSA-N 330.492 4.178 5 50 EIBA biogenic Cc1ccc(C(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1C 4701813 VQTWYVLJXRGZST-UHFFFAOYSA-N 338.407 4.433 5 50 EIBA O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cccc(Br)c1 441479 YPHVCWFHCMOJMC-RMKNXTFCSA-N 347.168 4.009 5 50 EIBA COc1cc(Nc2ccc([N+](=O)[O-])cc2C(=O)O)cc2ccccc12 205441365 JIVRLHBAUUZTNC-UHFFFAOYSA-N 338.319 4.198 5 50 EIBA in-vitro O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1)Cc1ccccc1 1053028 HEJJNRNZTHBHBP-UHFFFAOYSA-N 346.386 4.437 5 50 EIBA CCCCOc1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 2064508 MEEIGYBGFZBQQR-UHFFFAOYSA-N 332.331 4.165 5 50 EIBA Cc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/c1c(F)cccc1Cl 4904354 WSBWEJOVUHFTHV-SOFGYWHQSA-N 334.734 4.348 5 50 EIBA O=[N+]([O-])c1ccc2[nH]c3c(c2c1)CCC[C@H]3N[C@H]1C[C@H]2CC[C@H]1C2 584904380 VXWKNFYNAXLMPP-UQLKUDODSA-N 325.412 4.232 5 50 EIBA Cc1cc(C(=N)c2cccc3ccccc23)c([N+](=O)[O-])cc1[N+](=O)[O-] 2519762 HANRONFKLJOHKH-UHFFFAOYSA-N 335.319 4.381 5 50 EIBA NCCSc1c2ccccc2c(SCCN)c2ccccc12 3145106 RLPBUWHUIMRPDD-UHFFFAOYSA-N 328.506 4.095 5 50 EIBA CC(=O)c1cc([N+](=O)[O-])ccc1N(C)Cc1nc2ccccc2s1 225816231 LBOCPFLIFURUKS-UHFFFAOYSA-N 341.392 4.044 5 50 EIBA O=C(NC(c1ccccc1)c1ccccc1)c1ccccc1[N+](=O)[O-] 101896 HCGGJJAZZONEIN-UHFFFAOYSA-N 332.359 4.114 5 50 EIBA O=C(Oc1ccc(Cl)c2cccnc12)c1ccc([N+](=O)[O-])cc1 2985642 OVBWESHFUJDHCD-UHFFFAOYSA-N 328.711 4.016 5 50 EIBA Cc1c(Cl)c(=O)oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc12 449405 MQXQXWCHHHEMHF-UHFFFAOYSA-N 345.738 4.242 5 50 EIBA COc1ccc2c(c1)c(=O)oc1cc(OC(=O)c3ccccc3)ccc12 1061139 BDUIPQDQCNHOCA-UHFFFAOYSA-N 346.338 4.174 5 50 EIBA biogenic O=C(CCCOc1ccccc1)Nc1cc([N+](=O)[O-])ccc1Cl 2992750 JPLNWVMJPDGUBX-UHFFFAOYSA-N 334.759 4.046 5 50 EIBA Cc1noc(/C=C/c2ccc(-c3ccccc3C(=O)O)o2)c1[N+](=O)[O-] 4867272 SSCIWJQAQNZUJU-VQHVLOKHSA-N 340.291 4.020 5 50 EIBA CC[C@@H]1CCCCN1C(=O)c1cc2c(ccc3ccccc32)oc1=O 617372 IIQVVUACAIUFMG-OAHLLOKOSA-N 335.403 4.351 5 50 EIBA O=[N+]([O-])c1ccc(/C=C/c2cccc(Br)c2)c([N+](=O)[O-])c1 2170536 UIOZTMIQIHGMAX-SNAWJCMRSA-N 349.140 4.436 5 50 EIBA CCCCOc1ccc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 5094672 CSDYXSVKHQUMET-UHFFFAOYSA-N 328.368 4.334 5 50 EIBA CC(=O)c1cccc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1 306709 POGKXVIONZSLEN-SOFGYWHQSA-N 344.754 4.103 5 50 EIBA O=C(Nc1ccc(Oc2cccnc2)cc1)c1ccccc1[N+](=O)[O-] 316829 WWKSDDKONZLYSO-UHFFFAOYSA-N 335.319 4.034 5 50 EIBA CCC(C)(C)c1ccc2c(c1)NC(=O)c1cccc([N+](=O)[O-])c1CO2 1390728 FMPHHZXDIXVMRR-UHFFFAOYSA-N 340.379 4.427 5 50 EIBA Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)CO[C@H]1CCCC[C@@H]1C 170633086 DCZWMQDNCSIREO-BONVTDFDSA-N 340.807 4.090 5 50 EIBA CC1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1 445052 KUQKVHOYPWTUBC-UHFFFAOYSA-N 339.395 4.083 5 50 EIBA CCCN(CCC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 3873953 ZSDSQXJSNMTJDA-UHFFFAOYSA-N 335.282 4.148 5 50 EIBA aggregator,biogenic,in-vitro O=[N+]([O-])c1ccc(N[C@H]2CCO[C@H](C3CC3)C2)nc1-c1ccccc1 160271812 LITGELMUJDGOQC-RDJZCZTQSA-N 339.395 4.026 5 50 EIBA O=[N+]([O-])c1cccc(-c2noc(-c3ccccc3Br)n2)c1 466189 WIFAQTSBNMDHRR-UHFFFAOYSA-N 346.140 4.074 5 50 EIBA Cc1cc(Br)c([N+](=O)[O-])c(Br)c1Cl 36532873 WYTKHKVWCAJXBG-UHFFFAOYSA-N 329.375 4.082 5 50 EIBA O=C(Nc1cnc(C2CC2)nc1)c1cc2ccccc2c2cccnc12 225539865 BSJCOCZSQMIIQV-UHFFFAOYSA-N 340.386 4.308 5 50 EIBA O=C(Nc1ccc(Cl)cn1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 449965 ABABYKGHZGMNFO-UHFFFAOYSA-N 343.726 4.156 5 50 EIBA COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1ccc(C)cc1 555065 NKINOKMLJASBGR-LBPRGKRZSA-N 346.408 4.031 5 50 EIBA CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 41384 JCJDOVRWIBXGDE-ZYHUDNBSSA-N 329.183 4.125 5 50 EIBA O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1cccc(Br)c1 465755 ALZBFZLUJYPVDN-CMDGGOBGSA-N 347.168 4.009 5 50 EIBA Cc1c(NC(=O)c2c(Cl)cccc2Cl)cccc1[N+](=O)[O-] 449865 WGPUWIVHQUCOIZ-UHFFFAOYSA-N 325.151 4.462 5 50 EIBA O=C(Nc1ccccc1N1CCCC1)c1ccc([N+](=O)[O-])cc1Cl 466743 CYWUHAJUFNODSS-UHFFFAOYSA-N 345.786 4.101 5 50 EIBA O=c1c2cccc3c(Br)ccc(c32)c2nc3ccccc3n12 199115 GMHAZZMVKAUVPL-UHFFFAOYSA-N 349.187 4.354 5 50 EIBA COc1ccc(N(C(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)C2CC2)cc1 283614 DZQOIWAYOUNVKQ-ZDUSSCGKSA-N 340.379 4.049 5 50 EIBA O=C(CSc1ccc(Cl)cc1)Nc1ccc(F)c([N+](=O)[O-])c1 2507079 KUOZOYMTCQFJBX-UHFFFAOYSA-N 340.763 4.118 5 50 EIBA C[C@@H]1CCCN(c2nc(-c3ccc([N+](=O)[O-])cc3)nc3ccccc23)C1 72039 ZUTWDTSXTCZXAM-CQSZACIVSA-N 348.406 4.441 5 50 EIBA CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccccc2)CC1 4983460 KQQKBVRWESZTPJ-UHFFFAOYSA-N 339.395 4.083 5 50 EIBA CCC(=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 118138 XHHXSPYRWPTXCC-UHFFFAOYSA-N 333.727 4.060 5 50 EIBA Cc1cc(C)c2c(CC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)coc2c1 2875689 MQULAMLOLAKACB-UHFFFAOYSA-N 338.363 4.447 5 50 EIBA CCCCc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 4980372 NMZHFGHMVTVYCW-UHFFFAOYSA-N 348.424 4.047 5 50 EIBA Cc1ccc2cccc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)c2n1 444595 VFYAEEMUZICEDL-UHFFFAOYSA-N 342.738 4.324 5 50 EIBA O=C(Oc1ccc(OCc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 134809 QNVNLGXNNORDDN-UHFFFAOYSA-N 349.342 4.393 5 50 EIBA Cc1nc2cc3ccccc3cc2c(=O)n1CCCNC1CCCCC1 1831120 WQGDATIRVNAUPD-UHFFFAOYSA-N 349.478 4.171 5 50 EIBA Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)NCc2ccccc2)o1 244121 IDGDIZWMMOXGJY-UHFFFAOYSA-N 336.347 4.093 5 50 EIBA O=C(Nc1cccc2c1CCCC2)c1ccc([N+](=O)[O-])cc1Cl 37578 NZBJCVMLPLPONW-UHFFFAOYSA-N 330.771 4.379 5 50 EIBA O=[N+]([O-])c1cc(C(F)(F)F)ccc1OCc1cnc(Cl)s1 1402008 JXQMMNPVSDNWTL-UHFFFAOYSA-N 338.694 4.303 5 50 EIBA O=C(NC1CCCC1)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 2880021 NXUDNEGWBQBJGW-UHFFFAOYSA-N 326.352 4.060 5 50 EIBA Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1[C@H](C=C(Cl)Cl)C1(C)C 4426331 WJGBLBSCHKSPFU-GXFFZTMASA-N 343.210 4.433 5 50 EIBA Cc1cc(C)c(NC(=O)c2cccc(Br)c2)c([N+](=O)[O-])c1 4952528 MRPNQCSYNBNAID-UHFFFAOYSA-N 349.184 4.226 5 50 EIBA O=C(Nc1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1Cl 103017 PXVXFKBLINMDBY-UHFFFAOYSA-N 333.756 4.110 5 50 EIBA C[C@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 461331 DCKAVGUGRXPKDZ-JTQLQIEISA-N 348.761 4.369 5 50 EIBA Cc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccccc1C(C)(C)C 4043743 QJSVPQGIZSEFKU-UHFFFAOYSA-N 342.395 4.218 5 50 EIBA CCOc1ccc(C(=O)OCC[C@H]2CCC[N@+]3(C)CCCC[C@H]23)cc1 252460952 JKGLLRLAYPIYPO-ZNLUXHQJSA-N 346.491 4.041 5 50 EIBA biogenic COc1ccc([N+](=O)[O-])cc1/C=C/c1ccc2cccc(OC)c2n1 5013571 DVIYDTJKLARPIY-VQHVLOKHSA-N 336.347 4.331 5 50 EIBA O=[N+]([O-])c1cccc(CSc2nnc(/C=C/c3ccccc3)o2)c1 5772221 AYXIDLCNKLOUOR-MDZDMXLPSA-N 339.376 4.441 5 50 EIBA Cc1c2c(nc3c1ccc1ccccc13)CCN(C(=O)c1ccoc1)C2 1875309628 FZZHXAWMLMFUMO-UHFFFAOYSA-N 342.398 4.488 5 50 EIBA C[C@@H](NCc1ccc([N+](=O)[O-])c(F)c1)c1nc(C(C)(C)C)cs1 328589571 QOTPSQKMRHJSNQ-SNVBAGLBSA-N 337.420 4.339 5 50 EIBA O=C(Nc1cccc2cccnc12)c1ccc(Cl)cc1[N+](=O)[O-] 308776 DQZNVKGZCSWXPC-UHFFFAOYSA-N 327.727 4.049 5 50 EIBA Cc1cc(C)c(OCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])c(Cl)c1 4695555 HQKBNJIUJPTNEO-UHFFFAOYSA-N 348.786 4.191 5 50 EIBA CCCCN(CC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 3871674 SMDHCQAYESWHAE-UHFFFAOYSA-N 335.282 4.148 5 50 EIBA biogenic,in-vitro Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cc(F)cc2cccnc12 253416181 NJFXGLCABOJCRE-UHFFFAOYSA-N 339.326 4.151 5 50 EIBA Cc1cc(Sc2ccc([N+](=O)[O-])cn2)ccc1Br 480509 CXYHADUZSYMTJD-UHFFFAOYSA-N 325.187 4.212 5 50 EIBA O=[N+]([O-])c1ccc(OCCCCCOc2ccc([N+](=O)[O-])cc2)cc1 2164927 PALCOFOSTAKMDG-UHFFFAOYSA-N 346.339 4.131 5 50 EIBA O=C(CCSc1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1 460328 PTWRWCYKKKEPMD-UHFFFAOYSA-N 336.800 4.369 5 50 EIBA O=C(CCNc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 2872961 HINBQORNUUOYHK-UHFFFAOYSA-N 349.184 4.042 5 50 EIBA CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 41381 JCJDOVRWIBXGDE-JQWIXIFHSA-N 329.183 4.125 5 50 EIBA O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccoc1Cl 192394475 WRGABTSEMRFMNM-UHFFFAOYSA-N 349.755 4.217 5 50 EIBA CCC1=C(c2ccccc2)[N+](=O)[C@](C)(c2cccc([N+](=O)[O-])c2)N1O 33448237 SDZRPNLBUMBYQY-GOSISDBHSA-N 340.359 4.030 5 50 EIBA Cc1c(C(=O)Nc2ccc(N3CCCCC3)cc2)cccc1[N+](=O)[O-] 447594 BDFLPEXIPQBXDT-UHFFFAOYSA-N 339.395 4.146 5 50 EIBA O=C(c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)N1CCCCC1 2879913 BMVBPPZFYCQZEA-UHFFFAOYSA-N 326.352 4.013 5 50 EIBA COc1ccc(C(=O)Oc2ccc3c(c2)oc(=O)c2ccccc23)cc1 138973 PGBJGBZWXNQASJ-UHFFFAOYSA-N 346.338 4.174 5 50 EIBA biogenic Cc1cc(O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1Cl 466073 ALEYJIBXBLISNL-GFCCVEGCSA-N 348.786 4.271 5 50 EIBA O=C(OCc1ccc([N+](=O)[O-])cc1)C(c1ccccc1)c1ccccc1 466854 NKPBVMBLDXNNRU-UHFFFAOYSA-N 347.370 4.470 5 50 EIBA O=C(NCCCCc1ccccc1)c1cc(Cl)ccc1[N+](=O)[O-] 2746588 HBTYXEACLMFETR-UHFFFAOYSA-N 332.787 4.001 5 50 EIBA Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C 475666 MSSFJRZALLUGSM-GFCCVEGCSA-N 348.786 4.271 5 50 EIBA Cc1ccc(SCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 615808 LQWUKAFCFSRSOM-UHFFFAOYSA-N 327.365 4.246 5 50 EIBA Cc1ccc(C)c(OCCCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 1779904 ZTCUDYUZVUGXPS-UHFFFAOYSA-N 328.368 4.009 5 50 EIBA O=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)NC1CCCCC1 4542791 JVZPCLUBHPPPDA-ZRDIBKRKSA-N 340.379 4.317 5 50 EIBA Cc1cc([N+](=O)[O-])ccc1NC(=O)CC12CC3CC(CC(C3)C1)C2 4689129 QYIYHUUNTHPMLS-UHFFFAOYSA-N 328.412 4.448 5 50 EIBA CCOc1cc(C=O)cc(Cl)c1OCc1ccccc1[N+](=O)[O-] 1057142 CEIQOPFJDOMXNH-UHFFFAOYSA-N 335.743 4.038 5 50 EIBA CCN(CC)c1ccc(C(=O)Nc2cccc(C)c2)cc1[N+](=O)[O-] 4998240 LQTAEILPGOWNLK-UHFFFAOYSA-N 327.384 4.002 5 50 EIBA CC(C)c1ccc(OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 87990 CDFDAKBYKGAIRZ-UHFFFAOYSA-N 339.351 4.347 5 50 EIBA O=[N+]([O-])c1cccc(-c2noc(COc3cccc4ccccc34)n2)c1 441073 WHEDPDZXCFTJQK-UHFFFAOYSA-N 347.330 4.377 5 50 EIBA O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1cccc(C(F)(F)F)c1 463327 RTSZKZKQXZJSGX-CMDGGOBGSA-N 336.269 4.266 5 50 EIBA C[C@H]1CCc2cc(F)ccc2N1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 4904114 HPXFSQXFORWOEE-KKNAONHISA-N 340.354 4.115 5 50 EIBA Cc1csc(C2(NCc3cc(F)ccc3[N+](=O)[O-])CCCC2)n1 177170921 NEJTVIJGRDRMHG-UHFFFAOYSA-N 335.404 4.058 5 50 EIBA O=C(Nc1ccc(Cl)cc1F)c1ccc([N+](=O)[O-])cc1Cl 475606 TXONCDAYWFWTOB-UHFFFAOYSA-N 329.114 4.293 5 50 EIBA COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cc(Cl)ccc1C 3086041 GQBDGACNZDJYFD-UHFFFAOYSA-N 335.747 4.209 5 50 EIBA CC(C)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 144411 RKLLFTULHBMPRL-UHFFFAOYSA-N 334.759 4.288 5 50 EIBA COc1c(Cl)cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl 452364 SYFJAIRAOIEBGG-UHFFFAOYSA-N 341.150 4.163 5 50 EIBA O=C(Nc1nc([N+](=O)[O-])cs1)c1cccc(Oc2ccccc2)c1 22033011 SSFNRAHZUWSXPT-UHFFFAOYSA-N 341.348 4.096 5 50 EIBA CC(=O)N(Cc1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 34924909 KZNKWZJZUDWQLY-UHFFFAOYSA-N 339.178 4.455 5 50 EIBA Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1Cl 438022 XBJYRCAFIALUHQ-UHFFFAOYSA-N 325.151 4.462 5 50 EIBA Cc1ccc(C)c2sc(NC(=O)c3ccc([N+](=O)[O-])cc3)nc12 4330815 RAAHDWRDLBYJTN-UHFFFAOYSA-N 327.365 4.074 5 50 EIBA CC(C)c1ccc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 55543603 SZNRJWVAQNMXMR-UHFFFAOYSA-N 339.439 4.040 5 50 EIBA O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(-c2cccs2)on1 6829230 JGRYCKHNKIYHDE-UHFFFAOYSA-N 349.755 4.217 5 50 EIBA O=C(Nc1c(F)cccc1NC1CC1)c1ccc([N+](=O)[O-])cc1Cl 174506303 PEAZXIXJTUQZHU-UHFFFAOYSA-N 349.749 4.214 5 50 EIBA O=[N+]([O-])c1ccc(CN2CCC3(C=Cc4ccccc43)CC2)s1 217228 JGQPMIGQAMUAHQ-UHFFFAOYSA-N 326.421 4.217 5 50 EIBA COc1ccc2c(c1[N+](=O)[O-])CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12 3780812 QDFCXLJPTBSDPF-BFDPJXHCSA-N 329.396 4.029 5 50 EIBA CCCCOc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 4838632 QSIVVSKHQSZCFG-UHFFFAOYSA-N 328.368 4.334 5 50 EIBA O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3Br)no2)cc1 442877 IKHMXVCDDRAMBS-UHFFFAOYSA-N 346.140 4.074 5 50 EIBA O=[N+]([O-])c1ccc(Sc2c(-c3ccccc3)nc3ncccn23)cc1 88564 BRCKXNVTTZPZJR-UHFFFAOYSA-N 348.387 4.456 5 50 EIBA CCC[N+]12CCC(CC1)[C@@H](C(O)(c1ccccc1)c1ccccc1)C2 982209 AFNMDAKSJAJEJB-GJFCNDCISA-N 336.499 4.189 5 50 EIBA CCCOc1ccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 2968541 LZOMGLMKQIVPOW-UHFFFAOYSA-N 334.759 4.289 5 50 EIBA O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(-c2ccccc2)on1 5078271 HZRNKHMEUXBUPY-UHFFFAOYSA-N 343.726 4.156 5 50 EIBA Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccccc1C(C)C 133501 CAMDMNRYORKABN-UHFFFAOYSA-N 328.368 4.044 5 50 EIBA Cc1cc(NC(=O)c2cccc(Cl)c2)c2cc([N+](=O)[O-])ccc2n1 169726891 SPLVFQTYKLMDLT-UHFFFAOYSA-N 341.754 4.357 5 50 EIBA O=[N+]([O-])c1cccnc1N1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 225533697 ZESLDVLIOLTRNC-MRXNPFEDSA-N 349.394 4.112 5 50 EIBA Cc1ccc(C(C)C)c(OC(=O)COc2ccc([N+](=O)[O-])cc2)c1 38497 ZHNNUHIDHYVQTF-UHFFFAOYSA-N 329.352 4.011 5 50 EIBA Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1Br 102172 BKVMUJUFNGBQQP-UHFFFAOYSA-N 349.184 4.226 5 50 EIBA O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1csc2c1CCCC2 455143 WHUGZLASHOQCEP-UHFFFAOYSA-N 336.800 4.441 5 50 EIBA Cc1ccc(-n2c(/C=C/N(C)C)c([N+](=O)[O-])c3ccc(O)cc32)cc1 4798013 GWJHMQLHNMFLKV-ZHACJKMWSA-N 337.379 4.085 5 50 EIBA COc1ccc2c(C)nc(SCc3ccc([N+](=O)[O-])cc3)nc2c1 2355542 VOYQKKMRJWFKDE-UHFFFAOYSA-N 341.392 4.147 5 50 EIBA O=C(NCc1ccc(Cl)c(Cl)c1)Nc1ccc([N+](=O)[O-])cc1 5041677 KYSQXSGYLYPVMV-UHFFFAOYSA-N 340.166 4.223 5 50 EIBA CC[C@@H](C)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 5467971 SCURELDCIPSURR-LLVKDONJSA-N 343.339 4.269 5 50 EIBA O=[N+]([O-])c1ccc(/C=C/c2ccc(Cl)nc2C(F)(F)F)nc1 170612970 BMMFZMFPMRXNDF-HNQUOIGGSA-N 329.665 4.227 5 50 EIBA Cc1c(NC(=O)c2ccc(Cl)c(Cl)c2)cccc1[N+](=O)[O-] 442668 VHKXKNSCPHSPOU-UHFFFAOYSA-N 325.151 4.462 5 50 EIBA CC[C@H]1CCCCN1C(=O)c1cc2c(ccc3ccccc32)oc1=O 617370 IIQVVUACAIUFMG-HNNXBMFYSA-N 335.403 4.351 5 50 EIBA O=[N+]([O-])c1cccc(-c2nc([C@H]3COc4ccccc4O3)cs2)c1 206933 DMWYBZRZWNQZDP-MRXNPFEDSA-N 340.360 4.231 5 50 EIBA Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)ccc1Br 431996 JPWSRIPCHZASPS-UHFFFAOYSA-N 349.184 4.226 5 50 EIBA Cc1cc(Br)c(NC(=O)c2cccc([N+](=O)[O-])c2)cc1C 466526 BGWHYPGXXIUDJG-UHFFFAOYSA-N 349.184 4.226 5 50 EIBA Cc1cc(-c2noc(-c3ccc([N+](=O)[O-])cc3)n2)c2ccccc2n1 1423713 WPKZBLMAZKDLEE-UHFFFAOYSA-N 332.319 4.168 5 50 EIBA CCCCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 2881597 DOSYRDPETZZMJX-UHFFFAOYSA-N 344.367 4.035 5 50 EIBA CCCCNc1ccc(C(=O)Nc2ccc(OC)cc2)cc1[N+](=O)[O-] 5064508 ZFAPAOPUIFRCSO-UHFFFAOYSA-N 343.383 4.068 5 50 EIBA CCN(Cc1ccccc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 17068717 NRLKIHYCLQKMAB-UHFFFAOYSA-N 333.775 4.302 5 50 EIBA Cc1ccc2c(c1)CCCN2C(=S)Nc1cccc([N+](=O)[O-])c1 611647 PDEBGENPRPRTOK-UHFFFAOYSA-N 327.409 4.053 5 50 EIBA Cc1ccc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 4706667 UYSXJZMMDIEJHA-UHFFFAOYSA-N 339.395 4.146 5 50 EIBA CC[C@@H](C)c1ccc(OCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 4823530 WPAFOBDKLSZORN-CYBMUJFWSA-N 328.368 4.126 5 50 EIBA Cc1ccc([C@H](C)NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1C 371169 VZVUUFRJNRCJEH-LBPRGKRZSA-N 332.787 4.356 5 50 EIBA O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)C1CCCCC1 473791 KFFOYHGMFHDRJH-UHFFFAOYSA-N 331.397 4.237 5 50 EIBA Cc1ccc(-c2nnc(SCc3ccccc3[N+](=O)[O-])o2)cc1 2830771 XAGOFUCPGAOZNH-UHFFFAOYSA-N 327.365 4.246 5 50 EIBA O=C(CCNc1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 446462 IGBKQQXPVKLLDD-UHFFFAOYSA-N 338.285 4.299 5 50 EIBA CCCCOc1ccccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 1777450 PHDHGYQRKHCOOH-VAWYXSNFSA-N 340.379 4.426 5 50 EIBA O=C(CCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccccc1 4542635 MPAKGCHGSXROIT-UHFFFAOYSA-N 336.347 4.426 5 50 EIBA CC1CCN(c2ccc(C(=O)Nc3ccccc3)cc2[N+](=O)[O-])CC1 4895927 NQEXBOMNHXDJKK-UHFFFAOYSA-N 339.395 4.083 5 50 EIBA O=C(Nc1ccccc1)c1cc([N+](=O)[O-])ccc1NCc1ccco1 4983245 JKDANVQOCLNWJB-UHFFFAOYSA-N 337.335 4.052 5 50 EIBA Cc1ccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1Cl 315751 BMVXQVULCXOHED-UHFFFAOYSA-N 325.151 4.462 5 50 EIBA COc1ccc2nc(SCc3cccc([N+](=O)[O-])c3)nc(C)c2c1 456106 CBEKRMBUKQHQEB-UHFFFAOYSA-N 341.392 4.147 5 50 EIBA CCc1ccccc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 308957 RVALOFCEYRUEPS-CSKARUKUSA-N 330.771 4.463 5 50 EIBA CCN(CC)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 444123 MNQLRXCXDAXPPM-UHFFFAOYSA-N 347.802 4.347 5 50 EIBA COc1cc(C)ccc1OCCCCOc1ccc(C)cc1[N+](=O)[O-] 2984824 ZGNJIKITBQWNHA-UHFFFAOYSA-N 345.395 4.458 5 50 EIBA CC(=O)Oc1cccc2ccc(/C=C/c3ccccc3[N+](=O)[O-])nc12 4845377 PHGPLLKSFPVSOA-PKNBQFBNSA-N 334.331 4.239 5 50 EIBA