smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 1230813 XFQTZSAPNHRFKK-UHFFFAOYSA-N 382.803 5.080 5 50 GKBA CCOc1ccc(Nc2nc(-c3ccc([N+](=O)[O-])cc3)nc3ccccc23)cc1 9088036 FQRSCIPPWKCPJT-UHFFFAOYSA-N 386.411 5.347 5 50 GKBA COc1cc(-c2nc3ccc4ccccc4c3c3c2CCC3)cc(OC)c1OC 728374 YKJAZHKMXQRODM-UHFFFAOYSA-N 385.463 5.570 5 50 GKBA CCOc1cc2c(cc1COc1ccc([N+](=O)[O-])c3ccccc13)O[C@H](C)C2 1875358071 IGJMSOQLVKEZHU-CQSZACIVSA-N 379.412 5.049 5 50 GKBA Cc1ccc(Cl)cc1NC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 672791 WUYTUWRGCROGAZ-UHFFFAOYSA-N 381.240 5.677 5 50 GKBA Cc1cc(CSc2ccccc2)ccc1NC(=O)Cc1ccccc1[N+](=O)[O-] 2843490 PYXIZTXVGQFWMQ-UHFFFAOYSA-N 392.480 5.377 5 50 GKBA Cc1ccc(Nc2nnc(-c3cc4c(ccc5ccccc54)oc3=O)s2)cc1 4420198 WEWSYOOEWPKUNV-UHFFFAOYSA-N 385.448 5.517 5 50 GKBA Brc1ccc2c3ccc(Br)cc3c3ccccc3c2c1 60151950 BPGPBYGXGRDFQG-UHFFFAOYSA-N 386.086 6.671 5 50 GKBA CCN(CC)p1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1 82046496 SQKCCVLITFBZPD-UHFFFAOYSA-N 387.419 7.574 5 50 GKBA Cc1ccc(NC(=O)c2ccccc2Sc2ccc([N+](=O)[O-])cc2)c(C)c1 1164707 TYCQTKWJZMGXQN-UHFFFAOYSA-N 378.453 5.615 5 50 GKBA Cc1cccc(NC2=C[C@@H](c3ccc([N+](=O)[O-])cc3)N(c3cccc(C)c3)C2=O)c1 100563500 PWYMTFMBYYPEEY-QHCPKHFHSA-N 399.450 5.296 5 50 GKBA O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C1c2ccccc2Oc2ccccc21 4893108 SUUHVTFKNWQDCK-UHFFFAOYSA-N 380.787 5.125 5 50 GKBA O=[N+]([O-])c1ccc(-c2cc(-c3ccccn3)nc3ccc4ccccc4c23)cc1 1225950 WXTXCVPBYCAGJG-UHFFFAOYSA-N 377.403 6.025 5 50 GKBA biogenic CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1Cc1ccc([N+](=O)[O-])cc1 1796834 WXERNAPBFUESED-VWLOTQADSA-N 386.495 6.090 5 50 GKBA O=[N+]([O-])c1ccc([C@H]2CC(c3ccc(Cl)cc3)=Nc3ccccc3N2)cc1 865034 PYYXCLQARLIQEP-OAQYLSRUSA-N 377.831 5.926 5 50 GKBA Cc1ccc(C)c(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc([N+](=O)[O-])cc2)c1 245242053 YAZFJXYMBOTMGI-UPVQGACJSA-N 399.450 5.454 5 50 GKBA CCc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc([N+](=O)[O-])cc2)cc1 5014228 ABYWDOITHXWWBL-LFIBNONCSA-N 397.434 5.027 5 50 GKBA O=C(Nc1ccc2c3c(cccc13)CC2)c1ccc(-c2ccccc2[N+](=O)[O-])o1 1167188 QHASIFITWLYPPX-UHFFFAOYSA-N 384.391 5.359 5 50 GKBA Cc1cc(Cl)ccc1OCCCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 4691427 VWLODMOUAVEGBH-UHFFFAOYSA-N 383.231 5.008 5 50 GKBA O=C1CCC(=O)N1c1c2ccc3ccccc3c2cc2ccc3ccccc3c12 45068516 OFVWFWHSFBYCHY-UHFFFAOYSA-N 375.427 5.953 5 50 GKBA O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1Cl 1122795 JQXFVKJKXVKQRU-HXUWFJFHSA-N 395.798 5.029 5 50 GKBA O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(Cl)c([N+](=O)[O-])c1 1170337 LIQLNXDEANFALO-UHFFFAOYSA-N 379.121 5.173 5 50 GKBA CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3)ccc21 2839691 PZULGLTVODYMMA-HNNXBMFYSA-N 387.439 5.465 5 50 GKBA O=C(Cc1cc2c(ccc3ccccc32)oc1=O)c1ccc(-c2ccccc2)cc1 3612345 TTYKCJPPNVLBID-UHFFFAOYSA-N 390.438 6.039 5 50 GKBA Cc1ccc(C)c(NC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)cc2)c1 1148930 DWXFDDCXGFMBEA-UHFFFAOYSA-N 396.830 5.910 5 50 GKBA CC(=O)c1ccccc1OCc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 2871350 POTIHHLHRLXQGG-UHFFFAOYSA-N 379.437 5.528 5 50 GKBA Clc1c2ccccc2c(CN2CCN(c3ccccn3)CC2)c2ccccc12 4987608 RSUVVYZAPSUSCF-UHFFFAOYSA-N 387.914 5.364 5 50 GKBA Cc1noc(/C=C\c2cn(Cc3ccccc3Cl)c3ccccc23)c1[N+](=O)[O-] 4809899 XTHQEZXYMGHFFB-KHPPLWFESA-N 393.830 5.718 5 50 GKBA O=[N+]([O-])c1ccc(CSc2nnc(-c3cccs3)n2-c2ccccc2)cc1 1144645 RAYHDRNILQYUOU-UHFFFAOYSA-N 394.481 5.196 5 50 GKBA Cc1c(C(=O)Nc2ccccc2-c2nc3ccccc3s2)cccc1[N+](=O)[O-] 2843337 FBCQIBMDROPOBN-UHFFFAOYSA-N 389.436 5.432 5 50 GKBA Cc1ccc(NC(=O)CSc2nc3ccccc3c3nc4ccccc4n23)cc1 8465662 PAPAECMKCHLUOB-UHFFFAOYSA-N 398.491 5.075 5 50 GKBA aggregator c1ccc(-c2sc3nc4c5ccccc5nc-4[nH][n+]3c2-c2ccccc2)cc1 334157325 FBVNRGZQEFJEAM-UHFFFAOYSA-O 379.468 5.197 5 50 GKBA CC/N=c1/sc2c3ccccc3c3ccccc3c2n1-c1cccc([N+](=O)[O-])c1 5499249 RZVPHWYFEGHPSR-WCWDXBQESA-N 399.475 5.827 5 50 GKBA Brc1c2ccccc2c(-c2ccc3ccccc3c2)c2ccccc12 49588246 FKIFDWYMWOJKTQ-UHFFFAOYSA-N 383.288 7.576 5 50 GKBA O=C(Nc1ccc([N+](=O)[O-])cc1)c1sc2cc(OC(F)F)ccc2c1Cl 6926416 HSGPVXYMHXWVTQ-UHFFFAOYSA-N 398.774 5.317 5 50 GKBA CCn1c2ccccc2c2cc(CNc3cc([N+](=O)[O-])ccc3OC)ccc21 2739129 UAVMUHYNIOZHHS-UHFFFAOYSA-N 375.428 5.343 5 50 GKBA COc1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1[N+](=O)[O-] 4953474 OWJQNXFREMIUJD-UHFFFAOYSA-N 397.434 5.746 5 50 GKBA O=C(Nc1cc(Cl)ccc1Cl)c1ccc(-c2ccccc2[N+](=O)[O-])o1 850284 GTUZFOZGZWKOJT-UHFFFAOYSA-N 377.183 5.414 5 50 GKBA Cc1ccc2nc(C)n3c4ccccc4c(NC(=O)Cc4ccccc4)c3c2c1 977850 SALNSBJIANNWOQ-UHFFFAOYSA-N 379.463 5.439 5 50 GKBA CC/N=c1/sc2c3ccccc3c3ccccc3c2n1-c1ccc([N+](=O)[O-])cc1 5499247 OZBKPURXBZMOJA-WCWDXBQESA-N 399.475 5.827 5 50 GKBA COc1ccc(Cn2c3ccc(C)cc3c3nc4ccccc4nc32)cc1OC 1079772 DJKRJHLKIVEXLQ-UHFFFAOYSA-N 383.451 5.112 5 50 GKBA COc1ccccc1OCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1 1140920 QVQFGTPLGYAMNP-UHFFFAOYSA-N 385.803 5.628 5 50 GKBA Brc1cc2c3ccccc3c(Br)cc2c2ccccc12 2173151 RULVBMDEPWAFIN-UHFFFAOYSA-N 386.086 6.671 5 50 GKBA in-vitro O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1[N+](=O)[O-] 834100 MDZDNFHNCUIQHW-UHFFFAOYSA-N 382.803 5.080 5 50 GKBA Cc1ccc(Cl)cc1NC(=O)c1ccc(NC2CCCCC2)c([N+](=O)[O-])c1 4757992 DLSDTHZQHWINJW-UHFFFAOYSA-N 387.867 5.554 5 50 GKBA O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 1186658 NKVADGWIJBJNRF-UHFFFAOYSA-N 395.173 5.553 5 50 GKBA O=[N+]([O-])c1ccc(-c2cn3nc(-c4ccccc4)c(-c4ccccc4)nc3n2)cc1 1313128 DJMMARPQZKCTMW-UHFFFAOYSA-N 393.406 5.034 5 50 GKBA Fc1ccc(-c2cc(-c3cc4ccccc4o3)c3c(ccc4ccccc43)n2)cc1 2963228 VMCOIVVITXBAMR-UHFFFAOYSA-N 389.429 7.607 5 50 GKBA O=[N+]([O-])c1ccc(Oc2ccnc3cc(OCc4ccccc4)ccc23)c(F)c1 143443778 HRGDNTOCJTWYES-UHFFFAOYSA-N 390.370 5.653 5 50 GKBA O=C(Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1)c1ccc([N+](=O)[O-])o1 5046754 UMLKTYNHPHDUTF-UHFFFAOYSA-N 399.815 5.370 5 50 GKBA COc1cc2c(cc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1)oc1ccccc12 1141151 NSYIOKPBGNQFKC-CYBMUJFWSA-N 390.395 5.245 5 50 GKBA CC(=O)c1ccc(OC(=O)c2ccccc2Sc2ccc([N+](=O)[O-])cc2)cc1 1154954 CJAXCWHFZYFJJO-UHFFFAOYSA-N 393.420 5.168 5 50 GKBA Cc1sc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)nc1-c1ccc(F)cc1 2830508 NSFJTFCTZNVREG-UHFFFAOYSA-N 391.811 5.072 5 50 GKBA O=[N+]([O-])c1cnccc1NC(c1ccccc1)(c1ccccc1)c1ccccc1 261508448 SOKWYPRSCYHFKC-UHFFFAOYSA-N 381.435 5.394 5 50 GKBA Cc1ccc(C)c(NC(=O)c2cccc(Oc3ccc([N+](=O)[O-])cc3Cl)c2)c1 1140905 SVKBGUNNJYAQNI-UHFFFAOYSA-N 396.830 5.910 5 50 GKBA aggregator Cc1cc(C)c2nc(-c3ccncc3)cc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c2c1 5048504 USKDMWUPLQLIEM-UHFFFAOYSA-N 398.422 5.074 5 50 GKBA CC(=O)c1c(C)cc(C)c(CSc2nc3ccc([N+](=O)[O-])cc3s2)c1C 1161611 AUEVLHXNGOISFP-UHFFFAOYSA-N 386.498 5.625 5 50 GKBA O=[N+]([O-])c1ccc(-c2cc(-c3ccncc3)nc3ccc4ccccc4c23)cc1 2898407 TYNYKINDGZWFHJ-UHFFFAOYSA-N 377.403 6.025 5 50 GKBA Cc1ccc(Oc2cc([N+](=O)[O-])cc3c2C(=O)Nc2ccc(C)cc2O3)cc1 1071839 PGHQEOQDONAMFA-UHFFFAOYSA-N 376.368 5.362 5 50 GKBA biogenic O=C(Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1Br 1108308 BLJMQVQLFUYUGI-UHFFFAOYSA-N 397.228 5.277 5 50 GKBA Cc1ccc2c(c1)sc1nc(-c3cc4c(ccc5ccccc54)oc3=O)cn12 1184428 NTWPJNWZPKNWGS-UHFFFAOYSA-N 382.444 5.784 5 50 GKBA Cc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3ccccc3[N+](=O)[O-])c2c1 4906130 DFPYYQIQZYFZPW-UHFFFAOYSA-N 383.407 5.371 5 50 GKBA CC(C)(C)c1cc(Cn2cc3cc([N+](=O)[O-])ccc3n2)cc(C(C)(C)C)c1O 1195615 KWOOEDBMPRRKGP-UHFFFAOYSA-N 381.476 5.293 5 50 GKBA CC[C@@H]1C[N+](CC)(CCCCCC[N+]2(CC)C[C@H](CC)[C@@H](CC)C2)C[C@H]1CC 1857798314 XYYXYZIWZVWREN-YOXCBORPSA-N 394.732 6.352 5 50 GKBA CCN1CCN(c2ccc(Nc3ccnc4cc5ccccc5cc34)cc2)CC1 758710 FGVVQTVRBTWGJA-UHFFFAOYSA-N 382.511 5.274 5 50 GKBA biogenic O=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1cccc([N+](=O)[O-])c1 824702 OZZDSKHMCPXCNX-UHFFFAOYSA-N 393.786 5.309 5 50 GKBA Cc1ccccc1-c1nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3C)ccc2o1 2979831 IYJHZJWWHUGBQH-UHFFFAOYSA-N 387.395 5.272 5 50 GKBA Cc1cccc(-c2cc(C(=O)Nc3ccccc3[N+](=O)[O-])c3ccccc3n2)c1 4652514 GEHQQQQUMDTDOM-UHFFFAOYSA-N 383.407 5.371 5 50 GKBA COc1cc(C2SCc3cc(C)c(C)cc3CS2)c(O)c([N+](=O)[O-])c1 36058081 LMCOPKYIRSNDRM-UHFFFAOYSA-N 377.487 5.105 5 50 GKBA O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)[nH]2)cc1 2820048 QOEGTCHMRMAGBN-UHFFFAOYSA-N 386.367 5.227 5 50 GKBA COc1ccccc1NC(=O)c1ccc(N[C@H](C)c2ccccc2)c([N+](=O)[O-])c1 5051466 UJORUEIAHYCNRJ-OAHLLOKOSA-N 391.427 5.029 5 50 GKBA COc1ccc(CC[C@H](C)N[C@@H]2CCCc3c2[nH]c2ccc([N+](=O)[O-])cc32)cc1 5032182 FUBRJUCORPVRQH-OYHNWAKOSA-N 393.487 5.073 5 50 GKBA O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc([N+](=O)[O-])c(Cl)c1 1113627 MLEYYNNTZVZSLC-UHFFFAOYSA-N 380.014 5.461 5 50 GKBA COc1ccccc1-c1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2n1 4902174 WNXDMRMVGCLNQF-UHFFFAOYSA-N 399.406 5.071 5 50 GKBA COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 862286 GKCGZJCBBXAEKE-FQEVSTJZSA-N 394.452 5.076 5 50 GKBA O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1c2ccccc2CCc2ccccc21 1166946 AAWFJQAJFXEERD-UHFFFAOYSA-N 378.815 5.325 5 50 GKBA Cc1ccc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1Cl 4706660 XOWZKUPPWPTMBZ-UHFFFAOYSA-N 395.846 5.421 5 50 GKBA Cc1ccc(-c2nc3cc(NC(=O)c4cccc([N+](=O)[O-])c4)ccc3o2)c(C)c1 989741 TVFDMOOXUZWGGH-UHFFFAOYSA-N 387.395 5.272 5 50 GKBA CCCc1sc(NC(=O)c2ccccc2[N+](=O)[O-])nc1-c1ccc(C)c(C)c1 1180305 RRSCVTGNTNRVGT-UHFFFAOYSA-N 395.484 5.540 5 50 GKBA O=C(c1ccccc1Sc1ccc([N+](=O)[O-])cc1Cl)N1CCCCCC1 1141107 FTPNFLCOFFUVSZ-UHFFFAOYSA-N 390.892 5.416 5 50 GKBA O=C(Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1ccccc1[N+](=O)[O-] 1204078 GATCNBPZWBMMGY-UHFFFAOYSA-N 393.786 5.309 5 50 GKBA COc1ccc([C@H](CC(=O)c2ccc([N+](=O)[O-])cc2)Nc2ccccc2)cc1 2841979 VLNGHYVBEJCXGN-NRFANRHFSA-N 376.412 5.030 5 50 GKBA CN1c2ccccc2C(C)(C)[C@]12C=Nc1c(ccc3cc4ccccc4cc13)O2 2896245 SYDHXNUFWICOGV-AREMUKBSSA-N 378.475 6.212 5 50 GKBA [CH]1[CH][CH][C](p2oc3ccc4ccccc4c3c3c(ccc4ccccc43)o2)[CH]1 103616875 BJFVYRSRWYNXQL-UHFFFAOYSA-N 379.375 7.807 5 50 GKBA O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 1079136 OINYYGAQMLLPNN-UHFFFAOYSA-N 391.427 5.097 5 50 GKBA O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(-c2cnc3ccccc3n2)cc1 4860012 MEJBKTGVMSYZQH-UHFFFAOYSA-N 377.787 5.651 5 50 GKBA CC(=O)c1ccc(OCc2ccc(Oc3c(Cl)cccc3[N+](=O)[O-])cc2)cc1 1141127 QOHUQCONBIESPG-UHFFFAOYSA-N 397.814 5.822 5 50 GKBA O=[N+]([O-])c1cc(CSc2ccccc2)ccc1Sc1ccc(Cl)cc1 4085086 GDPGZUREZBTXED-UHFFFAOYSA-N 387.913 6.692 5 50 GKBA O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(OCc2ccccc2)c1 1137619 JCCXOIAQCRKOTL-UHFFFAOYSA-N 382.803 5.080 5 50 GKBA Cc1ccc2nc(-c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4C)cc3)oc2c1 4703886 UTQZXYZIABUSLG-UHFFFAOYSA-N 387.395 5.272 5 50 GKBA O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc([N+](=O)[O-])cc1 996049 SLIKVUTXZNOLPD-UHFFFAOYSA-N 394.239 5.277 5 50 GKBA O=C(CSCc1ccccc1)Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 1158836 USJBIIUVAKUIEG-UHFFFAOYSA-N 378.453 5.134 5 50 GKBA O=c1oc(/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)nc2c(Cl)cc(Cl)cc12 5200417 UGGQGXGEEQKSOW-DUXPYHPUSA-N 397.601 5.227 5 50 GKBA CC(C)(CNc1ccc([N+](=O)[O-])cn1)SCc1cccc(C(F)(F)F)c1 20389638 OCFQHUSBDFQEEZ-UHFFFAOYSA-N 385.411 5.133 5 50 GKBA O=[N+]([O-])c1cccc(-c2nc(-c3cccc4ccccc34)c(-c3ccccc3)[nH]2)c1 3876268 RPLZQZWSUMSXGE-UHFFFAOYSA-N 391.430 6.472 5 50 GKBA O=c1oc2cc(OCc3ccccc3Br)ccc2c2ccccc12 1154171 FJQDMTUFQDLLMP-UHFFFAOYSA-N 381.225 5.288 5 50 GKBA CNC(=O)c1ccc(Oc2cc(Oc3cccc(Cl)c3)cc([N+](=O)[O-])c2)cc1 22590286 QIJROKZFDVCLCF-UHFFFAOYSA-N 398.802 5.192 5 50 GKBA Cc1ccc(NC(=O)Oc2cc(Cl)c(Cl)cc2Cl)cc1[N+](=O)[O-] 2166218 MMMZIAJHAOVEQX-UHFFFAOYSA-N 375.595 5.474 5 50 GKBA O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1Cl 1216939 PULWCFUKLYILPL-UHFFFAOYSA-N 394.258 5.144 5 50 GKBA CCOc1ccccc1NC(=O)c1ccccc1Sc1ccc([N+](=O)[O-])cc1 4832204 YCKRKPUYKJZTOS-UHFFFAOYSA-N 394.452 5.397 5 50 GKBA CC[C@@H]1C[N+](CC)(CCCCCC[N@+]2(CC)C[C@@H](CC)[C@@H](CC)C2)C[C@H]1CC 1857798311 XYYXYZIWZVWREN-FCSZGESBSA-N 394.732 6.352 5 50 GKBA O=[N+]([O-])c1ccc(-c2noc(-c3cc(-c4ccccc4)nc4ccccc34)n2)cc1 1159731 KSNZTLKAGRHVJC-UHFFFAOYSA-N 394.390 5.527 5 50 GKBA NCCCCSc1c2ccccc2c(SCCCCN)c2ccccc12 3018412 XXPRJOLOYKGOBS-UHFFFAOYSA-N 384.614 5.655 5 50 GKBA COc1cc([N+](=O)[O-])ccc1NC(=S)Nc1ccc(Oc2ccccc2)cc1 5041717 JYTNUZVPJBYSAE-UHFFFAOYSA-N 395.440 5.205 5 50 GKBA O=[N+]([O-])c1cc(-c2cnc3ccccc3n2)ccc1Oc1cccc2cccnc12 1108818 NSELLQLDIWYWNP-UHFFFAOYSA-N 394.390 5.546 5 50 GKBA O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1cccc2ccccc12 1114002 ZEGITNDAXLGRAX-UHFFFAOYSA-N 395.465 5.089 5 50 GKBA Cc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cccc([N+](=O)[O-])c2)cc1Cl 1177743 OUFOYPRTPACSLK-HXUWFJFHSA-N 393.830 5.328 5 50 GKBA O=C(Nc1ccccc1C(F)(F)F)c1ccc(-c2ccccc2[N+](=O)[O-])o1 2970232 XGMKWYVVKZHOAH-UHFFFAOYSA-N 376.290 5.126 5 50 GKBA Cc1ccccc1-n1c(-c2cccc([N+](=O)[O-])c2)nc(=S)c2c1CCCC2 1157429 CEJCRAFNSUGBNI-UHFFFAOYSA-N 377.469 5.364 5 50 GKBA O=[N+]([O-])c1cccc(-c2nc(Oc3ccc(Cl)cc3)c3ccccc3n2)c1 1122073 YVZXDTFUGPMJQO-UHFFFAOYSA-N 377.787 5.651 5 50 GKBA O=C(Nc1cc(Cl)ccc1Cl)c1cc([N+](=O)[O-])ccc1N1CCCCC1 4014294 HRVHAIFBVYKTNF-UHFFFAOYSA-N 394.258 5.144 5 50 GKBA Cc1cc(Br)c(OC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1C 4793584 CZOJGTFTTIMKNQ-UHFFFAOYSA-N 399.628 5.238 5 50 GKBA O=C(Nc1ccc(F)cc1F)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 1387000 ABEJPDGRLUOUNX-UHFFFAOYSA-N 386.379 5.277 5 50 GKBA O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(COc2ccccc2Cl)cc1 5013540 JPCKMFDLAKRAFH-UHFFFAOYSA-N 397.814 5.184 5 50 GKBA CC(=O)c1ccc(N2CCN(Cc3c4ccccc4cc4ccccc34)CC2)cc1 19633100 OTJSKBZDSLLUTG-UHFFFAOYSA-N 394.518 5.518 5 50 GKBA Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 1176025 BVLDHADXVJYMOS-UHFFFAOYSA-N 398.422 5.008 5 50 GKBA O=C1c2ccccc2S[C@H](c2ccc([N+](=O)[O-])cc2)N1Cc1ccccc1 1060521 LIROUGBYAOFTDQ-OAQYLSRUSA-N 376.437 5.042 5 50 GKBA Cc1cc(C)cc(NC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)cc2)c1 2881558 BPTZWFDCJYUXDB-UHFFFAOYSA-N 396.830 5.910 5 50 GKBA Cc1cc(OC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c(C)cc1Br 4793260 FEZTUDORCOULBY-UHFFFAOYSA-N 399.628 5.238 5 50 GKBA O=C(Nc1ccc(Oc2ccc3ccccc3c2)cc1)c1ccccc1[N+](=O)[O-] 1140113 BTASBNJVZACCSR-UHFFFAOYSA-N 384.391 5.793 5 50 GKBA Cc1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c([N+](=O)[O-])c1 4603553 XOZLUEISRFFHKQ-UHFFFAOYSA-N 383.407 5.371 5 50 GKBA O=c1oc2ccc3ccccc3c2cc1-c1csc(NC2CCCCC2)n1 2864113 HRMWPVYYWLXXJO-UHFFFAOYSA-N 376.481 5.814 5 50 GKBA Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc([N+](=O)[O-])o1 841486 FSIBBCFUQXIBPD-UHFFFAOYSA-N 379.397 5.025 5 50 GKBA O=C(OCc1ccc(Cl)cc1)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 1106166 REYBNSDJYAXHRO-UHFFFAOYSA-N 383.787 5.398 5 50 GKBA CCOc1ccccc1N1CCN(Cc2c3ccccc3cc3ccccc23)CC1 19632711 CMGYHISCPMDNAU-UHFFFAOYSA-N 396.534 5.714 5 50 GKBA CC(C)c1ccccc1NC(=O)c1ccc(COc2ccccc2[N+](=O)[O-])o1 2761682 ZOVHKVSVLAOJPI-UHFFFAOYSA-N 380.400 5.143 5 50 GKBA Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1sc2ccccc2c1Cl 4670347 CMYJPIDVUYOXNS-UHFFFAOYSA-N 381.240 5.677 5 50 GKBA O=C(O[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)c1ccc2c(c1)CCC=C2 2325870589 FXONRLHRFJGTDV-QGZVFWFLSA-N 377.318 5.015 5 50 GKBA Cc1cc(OC(=O)Nc2cc([N+](=O)[O-])ccc2C)c(Br)cc1Cl 1560685 ZVDMXAVIQFCVNH-UHFFFAOYSA-N 399.628 5.238 5 50 GKBA Cc1ccc2oc(C(=O)Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(C)c2c1 4993827 GJTMEFQGPHLKKW-UHFFFAOYSA-N 378.306 5.229 5 50 GKBA CCc1ccc2oc(-c3ccc(NC(=O)c4ccccc4[N+](=O)[O-])cc3)nc2c1 1208665 STNGKNNRFUJVIM-UHFFFAOYSA-N 387.395 5.218 5 50 GKBA CCOc1ccc(-c2cc(-c3ccc(O)cc3)c3c(ccc4ccccc43)n2)cc1 13285127 IRZZRFHAQDWBBE-UHFFFAOYSA-N 391.470 6.826 5 50 GKBA C[C@@H](Oc1ccc(Cl)cc1Cl)c1nc(-c2cccc([N+](=O)[O-])c2)no1 1167144 OVYWWVMJZSDKFY-SECBINFHSA-N 380.187 5.092 5 50 GKBA O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1-c1ccccc1 71770127 JVDDYHALFJFQEE-UHFFFAOYSA-N 395.414 6.285 5 50 GKBA Cc1ccccc1-c1nc2cc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)ccc2o1 1186543 XDPYFYLSTFYWCF-UHFFFAOYSA-N 387.395 5.272 5 50 GKBA Cc1ccc(OCCCC(=O)Oc2ccc3c(c2)oc(=O)c2ccccc23)cc1 1773874 QEIKVAXWVBEWCF-UHFFFAOYSA-N 388.419 5.019 5 50 GKBA CCc1cc(=O)oc2c(C)c(Oc3ccc([N+](=O)[O-])cc3C(F)(F)F)ccc12 1155293 LKHMTFBSIYBWPY-UHFFFAOYSA-N 393.317 5.383 5 50 GKBA Cc1c(NC(=O)c2cccc([N+](=O)[O-])c2)cccc1-c1nc2ccccc2s1 1204010 WKKZSXFANQCTFS-UHFFFAOYSA-N 389.436 5.432 5 50 GKBA Cc1c(OCc2ccc([N+](=O)[O-])cc2)ccc2c(-c3ccccc3)cc(=O)oc12 1893502 AYWFVJWJIFYFJW-UHFFFAOYSA-N 387.391 5.256 5 50 GKBA O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H](Sc1ccccc1)c1ccccc1 862271 WCPSJKYPHCGKFW-IBGZPJMESA-N 398.871 5.720 5 50 GKBA CC(C)(C)c1cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc(C(C)(C)C)c1 2752816 VGVNXVJDVALOAT-UHFFFAOYSA-N 397.471 5.230 5 50 GKBA O=c1oc2ccc3ccccc3c2cc1-c1ccc(I)cc1 2951024 VUSPGNHBYMRSOI-UHFFFAOYSA-N 398.199 5.218 5 50 GKBA O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 2964897 NLEIWLWNAPGUDI-UHFFFAOYSA-N 377.183 5.414 5 50 GKBA O=C(O[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)c1ccc2c(c1)CCC=C2 2325870588 FXONRLHRFJGTDV-KRWDZBQOSA-N 377.318 5.015 5 50 GKBA O=[N+]([O-])c1ccc(-c2nc(=S)c3c(n2Cc2ccccc2)CCCC3)cc1 1153862 DUYCCSGNSGJQSS-UHFFFAOYSA-N 377.469 5.115 5 50 GKBA C[C@@H](Oc1ccc(Cl)cc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 1145230 RMHRQCXMNYKKNE-SECBINFHSA-N 380.187 5.092 5 50 GKBA CC(C)[N+](C)(CCOC(=O)[C@@]12CCCc3cccc(c31)-c1ccccc12)C(C)C 95918215 NHRQICZEYUSVKV-AREMUKBSSA-N 392.563 5.096 5 50 GKBA CC(=O)Nc1ccc(Oc2cc([N+](=O)[O-])cc3c2C=Cc2ccccc2O3)cc1 1083559 RTLNHQRDWIYLTA-UHFFFAOYSA-N 388.379 5.622 5 50 GKBA CC[C@H]1Oc2cccc(-c3c4ccccc4cc4ccccc34)c2P1C(C)(C)C 1772768978 QPWCJINMYWPGIX-CTLOQAHHSA-N 398.486 7.694 5 50 GKBA Cc1cc([N+](=O)[O-])c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1Cl 95494807 NFKWKAWFIVGZFY-UHFFFAOYSA-N 386.832 5.233 5 50 GKBA C1=c2ccc(cc2)=CC=c2ccc(o2)=CC=c2ccc(cc2)=CC=c2ccc(o2)=C1 101013075 BHCDYFBPOYJEMM-UHFFFAOYSA-N 388.466 0.231 5 50 GKBA O=[N+]([O-])c1ccc(CSc2nnc(SCc3ccccc3)s2)cc1 1088240 GVQVPWIXBYSXAK-UHFFFAOYSA-N 375.500 5.031 5 50 GKBA Cc1ccc([N+](=O)[O-])cc1-c1nc(-c2c[nH]c3ccccc23)[nH]c1-c1ccccc1 5634899 BXAYMDPCPNJOPY-UHFFFAOYSA-N 394.434 6.109 5 50 GKBA COc1ccc(CC[C@H](C)N[C@H]2CCCc3c2[nH]c2ccc([N+](=O)[O-])cc32)cc1 5032185 FUBRJUCORPVRQH-NYHFZMIOSA-N 393.487 5.073 5 50 GKBA N=c1oc2ccc3ccccc3c2cc1C(=O)Nc1cc(Cl)ccc1Cl 17078243 UKSHHENRKOEDIB-UHFFFAOYSA-N 383.234 5.625 5 50 GKBA Cc1ccc(NC(=O)/C=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(Cl)c1 4542790 WNKWPRWXMOPDLX-JXMROGBWSA-N 382.803 5.469 5 50 GKBA COc1cc([N+](=O)[O-])c(Cl)cc1N(Cc1ccccc1)Cc1ccccc1 5210292 VYJJJJKRYNUZQD-UHFFFAOYSA-N 382.847 5.464 5 50 GKBA Brc1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 6393314 BLHYLCJYPQUFBY-UHFFFAOYSA-N 375.229 5.089 5 50 GKBA Cc1ccc2oc(-c3ccc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)nc2c1 726839 RKCFLDVEPRXUSX-UHFFFAOYSA-N 387.395 5.272 5 50 GKBA C[C@@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21 19893555 QXLBKOPHQFSSOR-GGAORHGYSA-N 385.423 5.011 5 50 GKBA Cc1c(Cl)cccc1NC(=O)CCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 4542666 SOBBONLEVIIJIP-UHFFFAOYSA-N 384.819 5.388 5 50 GKBA COc1cc(-c2cc(C(=O)O)c3c(ccc4ccccc43)n2)cc(Cl)c1O 666044 OPPXBNSYRDWMRO-UHFFFAOYSA-N 379.799 5.121 5 50 GKBA O=C(Nc1cc(Sc2ccccn2)cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 667854 FXWYVUODAMIQCS-UHFFFAOYSA-N 385.832 5.047 5 50 GKBA CSc1cccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c1 1126248 SZYFHGYBHYXSBO-KGENOOAVSA-N 390.464 5.496 5 50 GKBA CN(C)c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1[N+](=O)[O-] 4818974 MZDMBIFPIMJROA-UHFFFAOYSA-N 384.439 5.385 5 50 GKBA COc1ccccc1Oc1ccc(-c2nnc(-c3ccccc3)o2)cc1[N+](=O)[O-] 868181 FABCSJOPQWUXBL-UHFFFAOYSA-N 389.367 5.113 5 50 GKBA O=C(Oc1ccc(-c2ccccc2)cc1)c1ccc(Br)c([N+](=O)[O-])c1 1852278 UDTYORURSJTGCD-UHFFFAOYSA-N 398.212 5.244 5 50 GKBA O=c1c2ccc3ccc4cccc5cc(c2c3c45)c2nc3ccc(Cl)cc3n12 13284803 WDPLIRXDZQTPOG-UHFFFAOYSA-N 378.818 5.990 5 50 GKBA COc1ccc([C@H](CC(=O)c2ccc(C)cc2)Nc2ccc([N+](=O)[O-])cc2)cc1 4757556 AZIQFIZOMWOWDB-QFIPXVFZSA-N 390.439 5.338 5 50 GKBA aggregator CCOc1ccc2nc(SCc3c[nH]c4cc([N+](=O)[O-])ccc34)sc2c1 1202100 KTTKDHLPPQCVTK-UHFFFAOYSA-N 385.470 5.377 5 50 GKBA O=C(Cc1ccccc1[N+](=O)[O-])Nc1cc(Cl)ccc1Oc1ccccc1 2858401 CPYUNCJAMLPTMI-UHFFFAOYSA-N 382.803 5.222 5 50 GKBA Cc1c(Cl)cccc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 2953601 ONPCGSRUIUDOTH-XMHGGMMESA-N 392.842 5.736 5 50 GKBA C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1 752633 XMYMRMCDWWHWTA-IERDGZPVSA-N 387.439 5.187 5 50 GKBA Cc1oc(-c2cc(Cl)cc(Cl)c2)cc1C(=O)Nc1cccc([N+](=O)[O-])c1 2862104 KENDAMPSNRNXER-UHFFFAOYSA-N 391.210 5.722 5 50 GKBA Cc1c(NC2CCCCC2)c([N+](=O)[O-])cc([N+](=O)[O-])c1NC1CCCCC1 4622304 HBEHRDLITJZJSQ-UHFFFAOYSA-N 376.457 5.301 5 50 GKBA O=[N+]([O-])c1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccco4)=NN23)cc1 1235165 QUDKPBNUTFCSPQ-XLIONFOSSA-N 395.802 5.084 5 50 GKBA Cc1c(OCc2cccc(Br)c2)ccc2c1oc(=O)c1ccccc12 1152958 MRSCAXNGAOHHHW-UHFFFAOYSA-N 395.252 5.596 5 50 GKBA CCc1ccc(-c2cc(C(=O)Nc3ccccc3[N+](=O)[O-])c3ccccc3n2)cc1 5021070 VMYCKPRBUBMJTN-UHFFFAOYSA-N 397.434 5.625 5 50 GKBA Cc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1[N+](=O)[O-] 1218700 QKFXZYGMNQQHRF-UHFFFAOYSA-N 392.255 5.193 5 50 GKBA CCc1ccc(C2=NN3[C@H](c4ccc([N+](=O)[O-])cc4)Oc4ccccc4[C@H]3C2)cc1 252002544 NABSXXZLUXIJIQ-VWNXMTODSA-N 399.450 5.400 5 50 GKBA C[C@H](NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C12CC3CC(CC(C3)C1)C2 5069373 OZKGLELHFKPFDA-NSDYXAQKSA-N 394.471 5.190 5 50 GKBA O=c1oc2ccc3ccccc3c2cc1-c1nnc(Nc2ccc(F)cc2)s1 846035 DMZHYEVWXXVAMU-UHFFFAOYSA-N 389.411 5.347 5 50 GKBA COc1cc([N+](=O)[O-])ccc1NC(=O)c1sc2cc(Cl)ccc2c1Cl 4309958 ZNHRHEGKVDXGBV-UHFFFAOYSA-N 397.239 5.377 5 50 GKBA COC(=O)c1cc2ccc3c(Br)cc([N+](=O)[O-])c4ccc(c1)c2c34 1193740 RZHFZVLGDXSBOW-UHFFFAOYSA-N 384.185 5.041 5 50 GKBA O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccc(Oc2ccccc2)c1 1196658 JZSPQQODZVBOLO-UHFFFAOYSA-N 391.408 5.249 5 50 GKBA O=C(O)c1ccc(-c2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)[nH]2)cc1 3094563 NBCAPDPSLHORBS-UHFFFAOYSA-N 385.379 5.017 5 50 GKBA C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(Br)[N+](=O)[O-] 118935593 JONDYXQWDHVHOG-DLEIETQISA-N 384.358 5.787 5 50 GKBA O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc([N+](=O)[O-])cc1 4257055 HYOBZYGLSQJSNZ-UHFFFAOYSA-N 376.456 5.315 5 50 GKBA O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1Cl 1122793 JQXFVKJKXVKQRU-FQEVSTJZSA-N 395.798 5.029 5 50 GKBA COc1ccc(-c2csc(-c3cc4c(ccc5ccccc54)oc3=O)n2)cc1 841869 HMGYPTYENBRJRD-UHFFFAOYSA-N 385.444 5.745 5 50 GKBA CCCc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)nc1-c1ccc(C)c(C)c1 1172661 IZTYKLLQDSUCNV-UHFFFAOYSA-N 395.484 5.540 5 50 GKBA CC1(C)Oc2ccc3c(c2O1)[C@@H]1CCCC[C@@H]1O[C@H]3c1cccc([N+](=O)[O-])c1 245226365 TVXJXQLIRDPFDY-SYNHAJSKSA-N 381.428 5.248 5 50 GKBA O=C(Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccc(-c2ccccc2)cc1 2832024 DCOIYLGWNYGWAB-UHFFFAOYSA-N 388.206 5.788 5 50 GKBA CCCCc1cc(=O)oc2cc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)cc12 2898899 KTIORIOKLNTGOQ-UHFFFAOYSA-N 387.819 5.276 5 50 GKBA O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Nc1ccc(Cl)c(Cl)c1 4713453 GHHCKNYNEWPLIK-UHFFFAOYSA-N 396.108 5.572 5 50 GKBA CCCCOc1cc([N+](=O)[O-])c(OCCCC)cc1NC(=O)c1ccccc1 4792057 RZQSJWHQNGCRIX-UHFFFAOYSA-N 386.448 5.205 5 50 GKBA O=C(C[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CCCCCCC1=O)c1ccccc1 4531620 PQHNRMHHPWDMLM-LEWJYISDSA-N 379.456 5.491 5 50 GKBA Cc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 955038 WFVQDPBUABOCND-GXDHUFHOSA-N 388.423 5.134 5 50 GKBA O=[N+]([O-])c1ccc(CSc2ncnc3scc(-c4ccc(F)cc4)c23)cc1 1915582 VSTOZMWFWJIELC-UHFFFAOYSA-N 397.456 5.698 5 50 GKBA O=C(Nc1ccc(Oc2ccc3ccccc3c2)cc1)c1cccc([N+](=O)[O-])c1 1139619 ISAVPESOPPEDSY-UHFFFAOYSA-N 384.391 5.793 5 50 GKBA CC(=O)c1ccc(OCc2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 1074692 ZKHSERHISKPIGF-UHFFFAOYSA-N 379.437 5.528 5 50 GKBA CC(C)(C)c1ccc(Oc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1 1138001 RYRBMSAPDILBSB-UHFFFAOYSA-N 390.439 5.937 5 50 GKBA CCOC(=O)c1cc(-c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)nc2ccccc12 2870989 ICVRGSQJMQBTHW-UHFFFAOYSA-N 398.418 5.654 5 50 GKBA O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cc(-c2ccccc2)nc2ccccc12 997497 LCSDEDMGBPRYOJ-UHFFFAOYSA-N 387.370 5.201 5 50 GKBA COC(=O)/C=C/C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C(=O)O 4097700 RAFGELQLHMBRHD-SLEZCNMESA-N 394.511 5.810 5 50 GKBA endogenous,in-man C[C@H]1C[C@H](N(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)c2ccccc2N1 1181738 JZBUSWXHRCFISV-AOMKIAJQSA-N 387.439 5.187 5 50 GKBA COc1ccc([N+](=O)[O-])cc1NC(=O)N(C1CCCCC1)C1CCCCC1 1752567 ZEIFHMWWABYVPW-UHFFFAOYSA-N 375.469 5.103 5 50 GKBA Cc1ccc(-n2c(-c3cccc([N+](=O)[O-])c3)nc(=S)c3c2CCCC3)cc1 954360 COTGQAVCGXXHOP-UHFFFAOYSA-N 377.469 5.364 5 50 GKBA Cc1c(Cl)cc(C(C)(C)C)c(O)c1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 5678125 CQPIWGICCRJEBY-UHFFFAOYSA-N 397.258 5.465 5 50 GKBA O=C1S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1c1ccccc1 1207089 MPCBMPLPEWVZQJ-PDGQHHTCSA-N 392.392 5.096 5 50 GKBA C(=C/c1ccccc1)\CN1CCN(Cc2c3ccccc3cc3ccccc23)CC1 19633549 GEDZQGIWVINTMP-DHZHZOJOSA-N 392.546 5.824 5 50 GKBA c1ccc(-c2cc3ccccc3c3c(-c4ccccc4)cc4ccccc4c23)cc1 71785350 NWVHRCVJSYNGKL-UHFFFAOYSA-N 380.490 8.480 5 50 GKBA Cc1cccc(OCC(=O)Nc2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 1145969 BHWNUGFFDSXXGX-UHFFFAOYSA-N 394.452 5.072 5 50 GKBA CC(C)c1c2cccc(Cl)c2c(Cc2ccccc2)c2cccc(Cl)c12 3106380 SIWUUFNDFRMNTL-UHFFFAOYSA-N 379.330 8.014 5 50 GKBA Cc1coc2c3ccc4c(c3c3[nH]c(-c5cccnc5)nc3c12)CCCC4(C)C 1848443419 QEJZAVIWBGKYKR-UHFFFAOYSA-N 381.479 6.447 5 50 GKBA CCc1ccc2oc(-c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)nc2c1 1209856 PZSKSBNDAMHCGB-UHFFFAOYSA-N 387.395 5.218 5 50 GKBA Cc1ccc(NC(=O)/C=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1Cl 4542788 HSIDGQGNPXANBS-CSKARUKUSA-N 382.803 5.469 5 50 GKBA c1ccc2c(c1)ccc1op(N3CCCCC3)oc3ccc4ccccc4c3c12 43681909 ZYDGLCZCEANEHK-UHFFFAOYSA-N 399.430 7.718 5 50 GKBA O=[N+]([O-])c1cccc(-c2csc(Nc3ccc(Br)cc3)n2)c1 1221263 ZWHIRZQGUBQGMP-UHFFFAOYSA-N 376.235 5.224 5 50 GKBA O=C(/C=C/c1ccccc1Cl)Oc1ccc2c(c1)oc(=O)c1ccccc12 1776115 YWZFQCLYAIUKOD-FMIVXFBMSA-N 376.795 5.218 5 50 GKBA Cc1ccnc(/N=c2\scc(-c3ccc([N+](=O)[O-])cc3)n2C2CCCCC2)c1 101137375 YBFIPAYKPQYFML-LNVKXUELSA-N 394.500 5.566 5 50 GKBA Cc1c(C(=O)Nc2ccc(CSc3ccccc3)cc2)cccc1[N+](=O)[O-] 4819568 NTWCCTMJZLMNQV-UHFFFAOYSA-N 378.453 5.448 5 50 GKBA COc1ccc([C@@H](CC(=O)c2ccc([N+](=O)[O-])cc2)Nc2ccccc2)cc1 2841978 VLNGHYVBEJCXGN-OAQYLSRUSA-N 376.412 5.030 5 50 GKBA O=[N+]([O-])c1ccc(C(c2ccc([N+](=O)[O-])cc2)C(Cl)(Cl)Cl)cc1 3129724 LJRFNQXPBYFIKQ-UHFFFAOYSA-N 375.595 5.005 5 50 GKBA Cc1cccc(NC2=C[C@H](c3cccc([N+](=O)[O-])c3)N(c3cccc(C)c3)C2=O)c1 100296973 WKGWUFWLNMEMJE-HSZRJFAPSA-N 399.450 5.296 5 50 GKBA COc1ccc([N+](=O)[O-])cc1-c1[nH]c(-c2ccccc2F)nc1-c1ccccc1 4954579 JUPIGXSCYRTKHG-UHFFFAOYSA-N 389.386 5.467 5 50 GKBA O=C1c2ccccc2S[C@@H](c2ccc([N+](=O)[O-])cc2)N1Cc1ccccc1 1060522 LIROUGBYAOFTDQ-NRFANRHFSA-N 376.437 5.042 5 50 GKBA O=[N+]([O-])c1cccc(-c2csc(Nc3ccc(Oc4ccccc4)cc3)n2)c1 2912655 NOEZBEIXNJEIQV-UHFFFAOYSA-N 389.436 6.254 5 50 GKBA COc1cc(Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c(OC)cc1Cl 1194666 JGDHRHHFYVHZOT-UHFFFAOYSA-N 391.836 5.133 5 50 GKBA CCOc1ccc(NC(=O)c2sc3ccccc3c2Cl)c([N+](=O)[O-])c1 4427329 CASPCZBYKGRVEE-UHFFFAOYSA-N 376.821 5.114 5 50 GKBA COc1ccc(-c2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c3ccccc3n2)cc1 4806625 KJQMUJRTYRQDIC-UHFFFAOYSA-N 399.406 5.071 5 50 GKBA Cc1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c([N+](=O)[O-])c1 5063969 ZVEZZCIHRGXBBB-UHFFFAOYSA-N 381.240 5.677 5 50 GKBA c1ccc(C[N+]2(CCCCC[N+]3(Cc4ccccc4)CCCC3)CCCC2)cc1 820385575 WTTSXQSTYFVLNM-UHFFFAOYSA-N 392.631 5.778 5 50 GKBA O=c1oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc2cc1-c1ccc(F)cc1 2552187 ODRLTOSXLVBJOY-UHFFFAOYSA-N 391.354 5.086 5 50 GKBA O=[N+]([O-])c1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccco4)=NN32)cc1 4247895 QUDKPBNUTFCSPQ-YLJYHZDGSA-N 395.802 5.084 5 50 GKBA COc1ccc([C@@H](CC(=O)c2ccc(C)cc2)Nc2ccc([N+](=O)[O-])cc2)cc1 4757557 AZIQFIZOMWOWDB-JOCHJYFZSA-N 390.439 5.338 5 50 GKBA aggregator O=C(Nc1ccc(F)c(F)c1)c1sccc1Oc1ccc(F)cc1[N+](=O)[O-] 1401449 HLUAXSOGDRRIGS-UHFFFAOYSA-N 394.330 5.118 5 50 GKBA O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2ccc(Cl)cc2)o1 1186729 CKZRSOFUCYKRGD-UHFFFAOYSA-N 377.183 5.414 5 50 GKBA O=C(Nc1ccccc1-c1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 1233950 BNKLIYACMLCYBU-UHFFFAOYSA-N 375.409 5.124 5 50 GKBA O=C(c1ccc(Cl)c(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 4701947 IGEQDOSDDNZWKB-UHFFFAOYSA-N 379.243 5.123 5 50 GKBA O=C(Nc1ccc(F)cc1F)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 4872318 XJWPDJAXTDOUTI-LDADJPATSA-N 380.350 5.052 5 50 GKBA O=C1c2ccccc2-c2c1c(-c1ccc(F)cc1)nc1ccc3ccccc3c21 1801607 CJBNMIFWXYXNSU-UHFFFAOYSA-N 375.402 6.406 5 50 GKBA Cc1c(C)c2ccc(Oc3ccc([N+](=O)[O-])cc3C(F)(F)F)c(C)c2oc1=O 1154551 FNSJRPRFZPFEMP-UHFFFAOYSA-N 393.317 5.438 5 50 GKBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc2oc(-c3ccccc3)nc2c1 1208505 HOHGNXWBLMJMNO-FMIVXFBMSA-N 385.379 5.055 5 50 GKBA C[C@@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 5257638 QXLBKOPHQFSSOR-GMAHTHKFSA-N 385.423 5.011 5 50 GKBA Cc1cc(Cl)ccc1Nc1nc(-c2ccc([N+](=O)[O-])cc2)nc2ccccc12 9356920 HOCJDBGUXBSKBE-UHFFFAOYSA-N 390.830 5.910 5 50 GKBA CCn1c2ccccc2c2cc(NC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3)ccc21 1141257 PZULGLTVODYMMA-OAHLLOKOSA-N 387.439 5.465 5 50 GKBA O=C(c1ccc([N+](=O)[O-])cc1Cl)N(Cc1ccccc1)Cc1ccccc1 753367 FCCROLLMSSDXSP-UHFFFAOYSA-N 380.831 5.091 5 50 GKBA Cc1ccc(-c2cnc3ccccc3n2)cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 4858048 NKMKHSWLAWBIHD-UHFFFAOYSA-N 398.422 5.074 5 50 GKBA CCCOc1c(Cl)cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1Cl 2852302 YHCZIKKBNCCEPU-UHFFFAOYSA-N 383.231 5.251 5 50 GKBA Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(-c2ccccc2)nc2ccccc12 1188186 XQPTWRLAJWLJDA-UHFFFAOYSA-N 383.407 5.371 5 50 GKBA CN1c2ccccc2C(C)(C)[C@@]12C=Nc1c(ccc3cc4ccccc4cc13)O2 2896244 SYDHXNUFWICOGV-SANMLTNESA-N 378.475 6.212 5 50 GKBA O=C(Nc1cc([N+](=O)[O-])cc2oc(-c3ccccc3)cc12)c1ccccc1F 1069930 RLPDRMBYDUGRRB-UHFFFAOYSA-N 376.343 5.399 5 50 GKBA Cc1ccc(-c2ccnc(-c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)n2)cc1 1392805 YBMQSKWBRRCQAP-UHFFFAOYSA-N 397.434 5.606 5 50 GKBA O=C1[C@@H](c2ccccc2)c2c(c3ccccc3c3ccccc23)[C@H]1c1ccccc1 3051832 AGWYEPSKPQEXTK-WMPKNSHKSA-N 384.478 6.840 5 50 GKBA CCc1ccccc1NC(=O)c1ccccc1Sc1ccc([N+](=O)[O-])cc1 1122655 HLKBIDYYDQGEQZ-UHFFFAOYSA-N 378.453 5.561 5 50 GKBA Cc1ccc(Sc2ccc([N+](=O)[O-])cc2/C=C2/SC(=S)N=C2O)cc1 2510366 CSKDDJUGOQNWLT-OQLLNIDSSA-N 388.495 5.384 5 50 GKBA C1CCC(C[N+]2(CCCC[N+]3(CC4CCCCC4)CCCC3)CCCC2)CC1 820385525 MGIYNYNXQWHPDC-UHFFFAOYSA-N 390.700 6.148 5 50 GKBA CC(=O)Nc1ccc2c(c1)nc1c3ccccc3c(-c3ccc(Cl)cc3)nn21 1178447 HEOBIYYARJPSKU-UHFFFAOYSA-N 386.842 5.315 5 50 GKBA Cc1ccc(SCc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)cc1 4820293 HDVVGMFUQHGNRU-UHFFFAOYSA-N 392.480 5.756 5 50 GKBA COc1cc2c(cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1)oc1ccccc12 3567003 LEAZZHIYDPJSQA-UHFFFAOYSA-N 376.368 5.064 5 50 GKBA Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(-c2cccc(Cl)c2Cl)o1 4544122 IBFXWHBAYPKIHH-UHFFFAOYSA-N 391.210 5.722 5 50 GKBA CN(C)c1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)[C@H](c3ccccc3)C2)cc1 3880414 AGPJQRQSIKAGEU-QHCPKHFHSA-N 386.455 5.017 5 50 GKBA O=[N+]([O-])c1cccc(Nc2nc(-c3ccccc3Cl)nc3ccccc23)c1 944221 RNGNGWBVLGHDML-UHFFFAOYSA-N 376.803 5.602 5 50 GKBA CCOc1ccc(Oc2ccc(-c3cnc4ccccc4n3)cc2[N+](=O)[O-])cc1 1154194 RSOARMHRTZZOFX-UHFFFAOYSA-N 387.395 5.396 5 50 GKBA Brc1cc2cc(Br)c3ccccc3c2c2ccccc12 115999163 PLMVEJSWEFNBNL-UHFFFAOYSA-N 386.086 6.671 5 50 GKBA c1cncc([C@H]2CCCCN2Cc2ccc3ccc4cccc5ccc2c3c45)c1 2907826 VHIFEWYCVPWPSJ-RUZDIDTESA-N 376.503 6.706 5 50 GKBA O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@H](Sc1ccccc1)c1ccccc1 1181036 IUJLFUUEMFRREN-LJQANCHMSA-N 382.416 5.206 5 50 GKBA Cc1ccc(NC(=O)c2cccc3c(Br)cccc23)c([N+](=O)[O-])c1 5094475 XGMSQJKMAWBIIQ-UHFFFAOYSA-N 385.217 5.071 5 50 GKBA Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc12 672866 WWIMCMNYWJIWSK-UHFFFAOYSA-N 399.450 5.467 5 50 GKBA Cc1ccccc1OCC(=O)Nc1cc(Sc2ccccc2)cc([N+](=O)[O-])c1 1213863 CWLVYGJMQGEDAE-UHFFFAOYSA-N 394.452 5.072 5 50 GKBA O=C(Nc1ccccc1-c1ccccc1)c1cc2c(ccc3ccccc32)oc1=O 2867429 JJEXSUBAENGCPJ-UHFFFAOYSA-N 391.426 5.866 5 50 GKBA CCc1cc(=O)oc2c(C)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc12 1175580 ZGIAXWHDFOQDEH-UHFFFAOYSA-N 393.317 5.383 5 50 GKBA Oc1cc(O)cc(-c2c3ccccc3c(-c3cc(O)cc(O)c3)c3ccccc23)c1 2585437 BTBBWVMITMIXSY-UHFFFAOYSA-N 394.426 6.149 5 50 GKBA in-vitro CC(C)(C)c1ccc(NC(=O)Nc2nnc(-c3cccc([N+](=O)[O-])c3)s2)cc1 1179374 NSOXXVFFUPYCBX-UHFFFAOYSA-N 397.460 5.055 5 50 GKBA C[C@@H]1C[C@H](N(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)c2ccccc2N1 1181739 JZBUSWXHRCFISV-ZHRRBRCNSA-N 387.439 5.187 5 50 GKBA Cc1ccc(C(=O)C[C@H](Sc2ccccc2N)c2cccc([N+](=O)[O-])c2)cc1 985441 SEDCAASEJJLQPO-QFIPXVFZSA-N 392.480 5.592 5 50 GKBA Cc1nc2sc(-c3ccc([N+](=O)[O-])cc3)c(-n3cccc3)c2c(C)c1Cl 1072420 UXDZCRIRVRHYEH-UHFFFAOYSA-N 383.860 5.932 5 50 GKBA CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1Cc1ccc([N+](=O)[O-])cc1 1796832 WXERNAPBFUESED-RUZDIDTESA-N 386.495 6.090 5 50 GKBA COc1cc2c(cc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1)oc1ccccc12 3642293 NSYIOKPBGNQFKC-ZDUSSCGKSA-N 390.395 5.245 5 50 GKBA O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N(Cc1ccccc1)Cc1ccccc1 4583071 PIEBGDNJYIZIQU-UHFFFAOYSA-N 395.846 5.483 5 50 GKBA O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)c1ccc([N+](=O)[O-])cc1 1185967 BKYWPMPGDNSBKI-UHFFFAOYSA-N 393.786 5.309 5 50 GKBA O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccc(Cl)c([N+](=O)[O-])c1 1166955 GUNSDLFENWMOIQ-UHFFFAOYSA-N 394.258 5.144 5 50 GKBA Cc1ccc(-c2csc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])n2)c(C)c1 1200439 MAPOJSQPLJYDKR-UHFFFAOYSA-N 387.848 5.241 5 50 GKBA O=[N+]([O-])c1c(-c2cc3ccccc3c3ccccc23)c2ccccc2c2ccccc12 2173589 YOZZJKPNSLNCAJ-UHFFFAOYSA-N 399.449 7.875 5 50 GKBA Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCOc1ccc(Cl)cc1Cl 4550417 SYOGJJCKOGVZNM-UHFFFAOYSA-N 383.231 5.008 5 50 GKBA Cc1cc2oc(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c(C)c2cc1Cl 5028178 MENYGURXIKUPKW-UHFFFAOYSA-N 379.199 5.517 5 50 GKBA O=[N+]([O-])c1ccc(-c2cs/c(=N\Cc3cccnc3)n2C2CCCCC2)cc1 101137478 PXPVZMLHXPVUCP-LNVKXUELSA-N 394.500 5.126 5 50 GKBA O=C(c1ccc(Cl)c(Cl)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 4706638 MWHOOTUDUKSBMQ-UHFFFAOYSA-N 379.243 5.123 5 50 GKBA Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](Sc1ccccc1)c1ccccc1 4313665 MDSFRQUZYVVZIQ-HXUWFJFHSA-N 378.453 5.375 5 50 GKBA C[C@H](Nc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-])c1ccccc1 5050443 VYIFESRVBXNGAH-AWEZNQCLSA-N 395.846 5.674 5 50 GKBA CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1C[C@@H]1OC[C@H](C[N+]2(Cc3ccccc3)CCCCC2)O1 100667974 FPLFYPVTBGXHRG-KFEALIJWSA-N 398.611 5.391 5 50 GKBA Cc1ccc(-c2nc3cc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)ccc3o2)cc1 1186628 FZGWJHMXBQAOFD-KPKJPENVSA-N 399.406 5.363 5 50 GKBA O=Cc1ccc(-c2c3ccccc3c(-c3ccc(C=O)cc3)c3ccccc23)cc1 140741820 LBPGUWKCPYZVIE-UHFFFAOYSA-N 386.450 6.952 5 50 GKBA O=[N+]([O-])c1ccc(/C=C/c2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])c1 3199921 FJBFPXIMQZPMQK-RMKNXTFCSA-N 376.368 5.252 5 50 GKBA O=C(Nc1cc([N+](=O)[O-])ccc1Cl)/C(=C/c1ccccc1)c1ccccc1 1127333 OQSZUZFBRQKKAZ-QGOAFFKASA-N 378.815 5.428 5 50 GKBA CCCCSc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2Cl)cc1 2839094 JYKYGXWUQNKZHM-UHFFFAOYSA-N 394.880 5.158 5 50 GKBA O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 2835493 YPSUPOZKRNQKMD-UHFFFAOYSA-N 388.452 5.135 5 50 GKBA O=C(Nc1cccc2ccccc12)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 4014334 BPPTVWSUOUWMCT-UHFFFAOYSA-N 397.434 5.612 5 50 GKBA O=C(OCc1cccc([N+](=O)[O-])c1)c1ccccc1SCc1ccccc1 2839080 GUPIAYPPIPZBRZ-UHFFFAOYSA-N 379.437 5.244 5 50 GKBA Cc1ccc2c(C(=O)Nc3cccc([N+](=O)[O-])c3)cc(-c3ccccn3)nc2c1C 2867759 ZMHTZGLFKDVYOE-UHFFFAOYSA-N 398.422 5.074 5 50 GKBA C[C@H](Oc1ccc(Cl)cc1Cl)c1nc(-c2cccc([N+](=O)[O-])c2)no1 1167143 OVYWWVMJZSDKFY-VIFPVBQESA-N 380.187 5.092 5 50 GKBA O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc2c(c1)Cc1ccccc1-2 2953651 WSDUYWQHHISBDG-UXBLZVDNSA-N 390.826 5.471 5 50 GKBA O=C(Nc1cc(Cl)c([N+](=O)[O-])cc1Cl)c1cc2ccccc2cc1O 3997487 CECLBNYCFBSEFX-UHFFFAOYSA-N 377.183 5.013 5 50 GKBA O=C1S/C(=C\c2c3ccccc3cc3ccccc23)C(=O)N1c1ccccc1 2904463 KKNJRNLGIOHFME-JCMHNJIXSA-N 381.456 6.234 5 50 GKBA CC(=O)Nc1cccc(Oc2cc([N+](=O)[O-])cc3c2C=Cc2ccccc2O3)c1 1097641 WLQDDIPZCGSTGY-UHFFFAOYSA-N 388.379 5.622 5 50 GKBA CC1(C)c2ccccc2N(c2ccccc2)[C@@]12C=Cc1cc([N+](=O)[O-])ccc1O2 2285887 MHSNSHSISUQKEA-XMMPIXPASA-N 384.435 5.826 5 50 GKBA CC(C)(c1ccccc1)c1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 4992227 PFKRTNOSWGVDHS-UHFFFAOYSA-N 395.842 5.793 5 50 GKBA O=C(Nc1cccc(Cl)c1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 5102337 YIIAHYJRUAIJDM-UHFFFAOYSA-N 381.819 5.113 5 50 GKBA O=C(Nc1cccc(C(F)(F)F)c1)c1cc2c(ccc3ccccc32)oc1=O 12062407 LENPWONQZVNXFD-UHFFFAOYSA-N 383.325 5.217 5 50 GKBA CCCCOc1ccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 2953290 VAJICGOAWJTHSQ-UHFFFAOYSA-N 397.456 5.150 5 50 GKBA O=C1c2ccccc2N[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc2ccccc2c1 1022963 KHWTYLLQWZFVRO-HSZRJFAPSA-N 395.418 5.519 5 50 GKBA Cc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)cc1[N+](=O)[O-] 1235177 YGYDRMJRCFUKCT-UHFFFAOYSA-N 387.848 5.241 5 50 GKBA Cc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)c(C)c1 995138 AHVCDDYYKBZWNS-UHFFFAOYSA-N 387.848 5.241 5 50 GKBA Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)Nc5cccc([N+](=O)[O-])c5)(C4)C2)C3)cc1 100328580 GTZUUYXIUVKVMK-RDNZODCXSA-N 390.483 5.380 5 50 GKBA O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(-c2cccs2)nc2ccccc12 2747361 CANJIFDEWQNTOR-UHFFFAOYSA-N 375.409 5.124 5 50 GKBA Cc1ccc(Nc2nc(C)c([N+](=O)[O-])c(Nc3ccc(C)c(C)c3)n2)cc1C 3878515 FFPGDMUWAPZKAD-UHFFFAOYSA-N 377.448 5.414 5 50 GKBA COc1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c([N+](=O)[O-])c1 4902428 SJZXVZCRDMZYSP-UHFFFAOYSA-N 397.239 5.377 5 50 GKBA O=C(C[C@@H](Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1)c1ccccc1 2869960 XMBSENIGKOWDQL-HXUWFJFHSA-N 380.831 5.674 5 50 GKBA O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1Sc1nc2ccccc2s1 2866295 XTKFUSLGVHGLJS-UHFFFAOYSA-N 392.461 5.587 5 50 GKBA C[C@@H]1Oc2cc([N+](=O)[O-])cc3c2C1=Cc1ccc(OCc2ccccc2)cc1O3 4770046 ODTXRUBNFOBZJY-AWEZNQCLSA-N 387.391 5.601 5 50 GKBA O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccc(Cl)c(Cl)c1 1115017 QOKOQSPNGKDTGG-UHFFFAOYSA-N 394.239 5.277 5 50 GKBA CC(C)(C)c1ccc(OCCNc2cc(N3CCCCC3)ccc2[N+](=O)[O-])cc1 4181133 RKLBNRJBRUXUBF-UHFFFAOYSA-N 397.519 5.374 5 50 GKBA O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@H](Sc1ccccc1)c1ccccc1 862272 WCPSJKYPHCGKFW-LJQANCHMSA-N 398.871 5.720 5 50 GKBA Cc1c(C)c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2oc1=O 4724985 YODWRYZOLGINPX-UHFFFAOYSA-N 379.290 5.129 5 50 GKBA COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](Sc1ccccc1)c1ccccc1 862285 GKCGZJCBBXAEKE-HXUWFJFHSA-N 394.452 5.076 5 50 GKBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1nc(-c2ccc(Cl)cc2)cs1 1156289 AEKWCVOTONCWCE-RUDMXATFSA-N 385.832 5.024 5 50 GKBA O=[N+]([O-])c1ccc([C@H]2Sc3ccccc3N=C3C2=C(O)c2ccccc23)cc1 100505764 FMGASDMOOZLXOB-JOCHJYFZSA-N 386.432 5.845 5 50 GKBA O=C(NCc1ccccc1Cl)c1sc2cc([N+](=O)[O-])ccc2c1Cl 647372 SFEDOBJGZCUIMR-UHFFFAOYSA-N 381.240 5.046 5 50 GKBA O=[N+]([O-])c1ccc(-c2csc(Nc3ccc(Br)cc3)n2)cc1 1226767 QSWFXISAMJFTDF-UHFFFAOYSA-N 376.235 5.224 5 50 GKBA O=C(Nc1ccc(Cl)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 4803091 NGEUDOBRNUMNTG-XSFVSMFZSA-N 378.815 5.428 5 50 GKBA CCCC1CCC(c2ccc(-c3noc(-c4ccc([N+](=O)[O-])cc4)n3)cc2)CC1 2902136 CCCBQVQYNNXXEC-UHFFFAOYSA-N 391.471 6.386 5 50 GKBA O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](Sc1ccccc1)c1ccccc1 4426491 VUUWFLRQLPBVRS-LJQANCHMSA-N 398.871 5.720 5 50 GKBA Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 6846448 ODYFKDYFWAHAAD-UHFFFAOYSA-N 391.210 5.722 5 50 GKBA O=[N+]([O-])c1cc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccco4)=NN32)ccc1Cl 25782088 RDGUKPMHFCXRJR-JXFKEZNVSA-N 395.802 5.084 5 50 GKBA O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1cc(Cl)ccc1Cl 996619 ZEJISTDCOXXEPR-UHFFFAOYSA-N 394.239 5.277 5 50 GKBA CC[C@@H]1C[N@@+](CC)(CCCCCC[N@+]2(CC)C[C@@H](CC)[C@@H](CC)C2)C[C@@H]1CC 1857798312 XYYXYZIWZVWREN-MCPZNESXSA-N 394.732 6.352 5 50 GKBA Cc1ccc(-c2csc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)n2)c(C)c1 753030 OXESMAQPQCHXGB-UHFFFAOYSA-N 378.409 5.109 5 50 GKBA Cc1ccc2c(c1)c1c3n2CCCN(Cc2ccccc2[N+](=O)[O-])[C@H]3CCC1 55447662 LKFIBCLULSLIKJ-QFIPXVFZSA-N 375.472 5.141 5 50 GKBA O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1cccc([N+](=O)[O-])c1 1194430 CSAKNYVJHABGCT-UHFFFAOYSA-N 394.239 5.277 5 50 GKBA Cn1cc(C(c2ccc([N+](=O)[O-])o2)c2cn(C)c3ccccc23)c2ccccc21 4151549 JPWAINIRVLNDGZ-UHFFFAOYSA-N 385.423 5.351 5 50 GKBA O=[N+]([O-])c1ccccc1-c1cc(-c2nnc(-c3cccc4ccccc34)o2)no1 2325873340 DLXUWIHMRMSJIY-UHFFFAOYSA-N 384.351 5.120 5 50 GKBA O=C(Nc1ccccc1Sc1ccccc1)c1ccc([N+](=O)[O-])cc1Cl 2874400 USORKLLSBKCNDI-UHFFFAOYSA-N 384.844 5.652 5 50 GKBA O=C(OCc1ccc([N+](=O)[O-])cc1Cl)C1c2ccccc2Oc2ccccc21 4833199 PKCVZXOVOQDVMG-UHFFFAOYSA-N 395.798 5.229 5 50 GKBA Cc1ccc(NC(=O)c2cccc(Oc3c(Cl)cccc3[N+](=O)[O-])c2)c(C)c1 2879881 IEJUCEBXZDSYJQ-UHFFFAOYSA-N 396.830 5.910 5 50 GKBA O=C(Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1ccccc1[N+](=O)[O-] 1216694 UPZLBNDGFDVYAQ-UHFFFAOYSA-N 393.786 5.309 5 50 GKBA CC1=C[C@H](C)[C@H]([C@@H]2OC[C@@H](C[N+]3(Cc4ccccc4)CCCCC3)O2)[C@H](C)C1 22017961 PORVWFSZEHIALM-LARDHNBOSA-N 384.584 5.167 5 50 GKBA Cc1ccc(-c2nc3cc(NC(=O)c4ccccc4[N+](=O)[O-])ccc3o2)cc1C 1299434 WAVZRIQAHIQTAH-UHFFFAOYSA-N 387.395 5.272 5 50 GKBA CCc1ccc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])cc4)ccc3o2)cc1 1220009 BFIYTKRSNGJGAA-UHFFFAOYSA-N 387.395 5.218 5 50 GKBA CCc1cccc(C)c1NC(=O)/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 4542787 NUJURPFEHLYISU-ACCUITESSA-N 376.412 5.378 5 50 GKBA O=[N+]([O-])c1cccc(-c2csc(Nc3ccc(OC(F)(F)F)cc3)n2)c1 2585732 VNWUMFXZGVDTSD-UHFFFAOYSA-N 381.335 5.361 5 50 GKBA COc1ccc(-c2nc(-c3cccc(OC)c3)nc3ccc4ccccc4c23)cc1 754945 VFQFQBWZXDAJHL-UHFFFAOYSA-N 392.458 6.134 5 50 GKBA Cc1ccc2c(c1)[C@H](c1ccccc1)C[C@@H](C)N2C(=O)c1ccc([N+](=O)[O-])cc1 1146013 ZWVZVYMFFYLSKH-UTKZUKDTSA-N 386.451 5.474 5 50 GKBA O=C(NCCC(c1ccccc1)c1ccccc1)c1cc([N+](=O)[O-])ccc1Cl 2748313 YRYCZTRCCXLMPU-UHFFFAOYSA-N 394.858 5.200 5 50 GKBA CCOc1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)c([N+](=O)[O-])c1 4193017 VSPPLVYPVHZXSU-UHFFFAOYSA-N 378.384 5.038 5 50 GKBA O=C(Nc1c(Cl)cccc1Cl)c1cc2c(ccc3ccccc32)oc1=O 715777 CHFWPZJGZYAZHF-UHFFFAOYSA-N 384.218 5.505 5 50 GKBA O=[N+]([O-])c1ccc(CSc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1 1195193 RTGSVQOBLPLIGB-UHFFFAOYSA-N 382.228 5.244 5 50 GKBA CCOc1ccc2nc(Sc3nc4ccc([N+](=O)[O-])cc4s3)sc2c1 5061422 YWIAYXLKZUZEBM-UHFFFAOYSA-N 389.483 5.364 5 50 GKBA O=C(Nc1ccc(CSc2ccccc2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 1167867 GRKZYDJWYDNGJF-UHFFFAOYSA-N 398.871 5.793 5 50 GKBA CC(=O)c1cccc(Nc2nc(-c3ccc([N+](=O)[O-])cc3)nc3ccccc23)c1 9358034 ULTDAYIFVJIOII-UHFFFAOYSA-N 384.395 5.151 5 50 GKBA Cc1c(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cccc1[N+](=O)[O-] 2978865 NZBLMTKHJCXINX-UHFFFAOYSA-N 382.803 5.601 5 50 GKBA O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1[N+](=O)[O-] 996976 YBAAYMCWBCIYOE-UHFFFAOYSA-N 394.858 5.200 5 50 GKBA O=[N+]([O-])c1ccc(CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 1107231 PPKLABMGXBLYFN-UHFFFAOYSA-N 387.464 5.944 5 50 GKBA O=C(C[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CCCCCCC1=O)c1ccccc1 4531621 PQHNRMHHPWDMLM-NHCUHLMSSA-N 379.456 5.491 5 50 GKBA Cc1ccccc1OCC(=O)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 1122298 LCZWXAHLKABUIR-UHFFFAOYSA-N 394.452 5.072 5 50 GKBA Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1[N+](=O)[O-] 1230695 AOLQOMYLGJHFAT-UHFFFAOYSA-N 394.814 5.040 5 50 GKBA Cc1cccc(NC2=C[C@H](c3ccc([N+](=O)[O-])cc3)N(c3cccc(C)c3)C2=O)c1 100563499 PWYMTFMBYYPEEY-HSZRJFAPSA-N 399.450 5.296 5 50 GKBA O=[N+]([O-])c1cccc(-c2nc(Nc3ccc(F)c(F)c3)c3ccccc3n2)c1 4311546 IBKJTGJFRKVVFW-UHFFFAOYSA-N 378.338 5.227 5 50 GKBA COc1ccccc1Oc1cc(NC(=O)c2ccc(Cl)cc2)cc([N+](=O)[O-])c1 2798426 JYULQOGSSDARMV-UHFFFAOYSA-N 398.802 5.301 5 50 GKBA Cc1ccccc1C1(c2ccccc2C)C[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 825680 HZXUUFOXHMBHIE-QFIPXVFZSA-N 386.451 5.156 5 50 GKBA O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@@H](Sc1ccccc1)c1ccccc1 1181035 IUJLFUUEMFRREN-IBGZPJMESA-N 382.416 5.206 5 50 GKBA CC1(C)c2ccccc2N(c2ccccc2)[C@]12C=Cc1cccc([N+](=O)[O-])c1O2 2025698 LUMZEEBSMVLNLO-DEOSSOPVSA-N 384.435 5.826 5 50 GKBA c1ccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)cc1 3132853 HICWKUFWPIBTCN-UHFFFAOYSA-N 380.490 8.480 5 50 GKBA Cc1c(Cl)cccc1NC(=O)/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 4542781 TZYIMHXZRMMKRW-PKNBQFBNSA-N 382.803 5.469 5 50 GKBA COc1ccccc1NC(=O)c1ccc(N[C@@H](C)c2ccccc2)c([N+](=O)[O-])c1 5051464 UJORUEIAHYCNRJ-HNNXBMFYSA-N 391.427 5.029 5 50 GKBA C[C@H](Cc1ccccc1)NCc1[nH]c2ccc([N+](=O)[O-])cc2c1-c1ccccc1 22591233 ZUQZTDCSLGYQLX-QGZVFWFLSA-N 385.467 5.464 5 50 GKBA O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 1437137 WRVNIRHHMYQKEQ-UHFFFAOYSA-N 391.408 5.231 5 50 GKBA Clc1cccc2c(Br)c3ccccc3c(Cc3ccccc3)c12 3123091 FMQWUDCHJRKSJR-UHFFFAOYSA-N 381.700 7.000 5 50 GKBA O=C(Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1)c1ccccc1[N+](=O)[O-] 1204034 LEYOJOOCJJCIED-UHFFFAOYSA-N 393.786 5.309 5 50 GKBA O=[N+]([O-])c1cccc(NC(=S)Nc2ccccc2Sc2ccccc2)c1 2855525 MCXPCHRMQRZSFX-UHFFFAOYSA-N 381.482 5.555 5 50 GKBA Cc1cc(Cl)ccc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 2975623 ZMZQIIZZFRGEQV-XSFVSMFZSA-N 392.842 5.736 5 50 GKBA Cc1cc(CSc2ccccc2)ccc1NC(=O)c1cccc([N+](=O)[O-])c1 1149962 CCTDFOABYYEBJZ-UHFFFAOYSA-N 378.453 5.448 5 50 GKBA Cc1cc([N+](=O)[O-])ccc1NC(=O)CCCOc1ccc(Cl)cc1Cl 4109716 XADZGYWKRLFBHO-UHFFFAOYSA-N 383.231 5.008 5 50 GKBA Cc1cc2sc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)nc2cc1Cl 1142183 VAWNGKUXZMEHMU-UHFFFAOYSA-N 382.228 5.072 5 50 GKBA O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1cc([N+](=O)[O-])ccc1Cl 1219985 KEZXHDXKUKBXKJ-UHFFFAOYSA-N 393.786 5.309 5 50 GKBA O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 1211690 WFEGXFGEZMGMPB-UHFFFAOYSA-N 399.406 5.093 5 50 GKBA C[C@@H](CC(C)(C)C)[C@H](CC[C@@H](C)CC(C)(C)C)COc1ccccc1[N+](=O)[O-] 4582843 VOWXGOGQMZSMGZ-HSALFYBXSA-N 391.596 7.515 5 50 GKBA Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 4854116 XUZGJAQOUPUIFJ-JTHBVZDNSA-N 385.423 5.146 5 50 GKBA O=C(Nc1ccc(F)cc1F)c1sccc1Oc1ccc(F)cc1[N+](=O)[O-] 3128279 LBTKDAPGOBXDFG-UHFFFAOYSA-N 394.330 5.118 5 50 GKBA Cc1ccc(C2(c3ccc(C)cc3)C[C@@H]2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 4005833 OVGVMHGZEZDVJK-JOCHJYFZSA-N 386.451 5.156 5 50 GKBA Cc1ccc(-c2csc3nc4c5ccccc5c(Cl)nn4c(=O)c23)cc1C 3267680 DTLNRFLKRHZMRF-UHFFFAOYSA-N 391.883 5.395 5 50 GKBA Nc1ccc(C(c2cccc([N+](=O)[O-])c2)c2ccc(N)c(Cl)c2)cc1Cl 4015916 PKBXTLMPVLGSLD-UHFFFAOYSA-N 388.254 5.246 5 50 GKBA Cc1c(OCC(=O)c2ccc3ccccc3c2)ccc2c1oc(=O)c1ccccc12 622092 IJCCZSIUMHYJAA-UHFFFAOYSA-N 394.426 5.670 5 50 GKBA O=[N+]([O-])c1ccc(CC(C=C(Cl)Cl)Cc2ccc([N+](=O)[O-])cc2)cc1 4827776 USMROASBOIJJME-UHFFFAOYSA-N 381.215 5.223 5 50 GKBA COc1ccccc1-c1nc2ccc3ccccc3c2c2c1C(=O)c1ccccc1-2 2908698 MPMDWIJLGGWIRF-UHFFFAOYSA-N 387.438 6.275 5 50 GKBA O=[N+]([O-])c1cccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccco4)=NN32)c1 5123747 RPGSPPHRUQBWCR-PXNSSMCTSA-N 395.802 5.084 5 50 GKBA COc1cc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)ccc1OC(C)C 5318654 VRXWNSIPABOZHU-UHFFFAOYSA-N 384.439 5.122 5 50 GKBA O=C(Nc1cccc([N+](=O)[O-])c1)Oc1ccc(Cl)cc1C(=O)c1ccccc1 2164780 GJDSYJDMASYIPR-UHFFFAOYSA-N 396.786 5.090 5 50 GKBA CCc1ccccc1NC(=O)c1cccc(Oc2ccc([N+](=O)[O-])cc2Cl)c1 1108326 KBKBKJFKEWLYEX-UHFFFAOYSA-N 396.830 5.855 5 50 GKBA Cc1ccc(N(C(=O)c2cccc([N+](=O)[O-])c2)c2ccc3ccccc3c2)cc1 1230284 KNNSMKQNTHTZDB-UHFFFAOYSA-N 382.419 6.035 5 50 GKBA COc1cccc(Nc2cc(-c3ccccc3)nc(-c3ccc([N+](=O)[O-])cc3)n2)c1 2933173 MWXBPPHMNXVSRL-UHFFFAOYSA-N 398.422 5.471 5 50 GKBA O=[N+]([O-])c1cccc(-c2cc(-c3ccccc3)c3c(ccc4ncccc43)n2)c1 3878667 YQUHDDSPNCQBMO-UHFFFAOYSA-N 377.403 6.025 5 50 GKBA Cc1cc2ccccc2c2c1op(N(C)C)oc1c(C)cc3ccccc3c12 2529084 MXASPZVRFOFONU-UHFFFAOYSA-N 387.419 7.411 5 50 GKBA COc1ccc2cc(Br)ccc2c1COc1ccc([N+](=O)[O-])cc1 1455681 UFJRVINUXSMMQS-UHFFFAOYSA-N 388.217 5.098 5 50 GKBA Brc1ccccc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 6392688 JLACLQUHZRRSGE-UHFFFAOYSA-N 375.229 5.089 5 50 GKBA O=c1c(O)c(-c2ccc(NC3CCCC3)c(O)c2)oc2c1ccc1ccccc12 100204963 YVEKMFLWTKHYAO-UHFFFAOYSA-N 387.435 5.379 5 50 GKBA O=[N+]([O-])c1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccco4)=NN32)cc1 100708545 QUDKPBNUTFCSPQ-PXNSSMCTSA-N 395.802 5.084 5 50 GKBA Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CSc2ccccc2)cc1 2853853 ZSPPZDMGFUHVRY-UHFFFAOYSA-N 378.453 5.448 5 50 GKBA O=C(Nc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 4998366 OTBQHXJRNBBDAR-UHFFFAOYSA-N 394.258 5.144 5 50 GKBA CC[C@@H]1C[N@@+](CC)(CCCCCC[N+]2(CC)C[C@H](CC)[C@@H](CC)C2)C[C@@H]1CC 1857798313 XYYXYZIWZVWREN-SVNGMSFNSA-N 394.732 6.352 5 50 GKBA O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc(COc2ccc(Cl)cc2)c1 5891604 WIHGWOHPUDVREB-UHFFFAOYSA-N 382.803 5.080 5 50 GKBA O=C(Nc1ccc(Oc2cccc3cccnc23)cc1)c1ccc([N+](=O)[O-])cc1 1163895 LQKAILUSEMFKGS-UHFFFAOYSA-N 385.379 5.188 5 50 GKBA CC(C)c1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 2984743 IXSTZUITOCOQOB-XQNSMLJCSA-N 386.451 5.898 5 50 GKBA Cc1cc(OCCCCOc2ccc(Cl)c3cccnc23)ccc1[N+](=O)[O-] 2862671 ZFEQIJBIVGHHAA-UHFFFAOYSA-N 386.835 5.343 5 50 GKBA O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1ccc([N+](=O)[O-])cc1 1194177 XWVUCBHBEQLXKD-UHFFFAOYSA-N 394.239 5.277 5 50 GKBA COc1ccccc1NC(=O)c1cccc(Oc2c(Cl)cccc2[N+](=O)[O-])c1 4868362 UFMMMCWCTBWIKE-UHFFFAOYSA-N 398.802 5.301 5 50 GKBA COc1ccc(C(=O)Nc2ccccc2Sc2ccccc2)cc1[N+](=O)[O-] 1062540 SWHBFRQPTFISGH-UHFFFAOYSA-N 380.425 5.007 5 50 GKBA Cc1cc(C)c(NC(=O)Cn2c3ccccc3c3nc4ccccc4nc32)c(C)c1 4747260 LZZLZQXNVQMMQW-UHFFFAOYSA-N 394.478 5.302 5 50 GKBA c1ccc(C[N+]2(CCCC[N+]3(Cc4ccccc4)CCCC3)CCCC2)cc1 820385560 QBDGACDMMQPDDS-UHFFFAOYSA-N 378.604 5.388 5 50 GKBA C[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 5257639 QXLBKOPHQFSSOR-JTHBVZDNSA-N 385.423 5.011 5 50 GKBA O=C(COc1ccc2ccccc2c1)Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 1108244 VAJSCUZURVVXDL-UHFFFAOYSA-N 398.418 5.433 5 50 GKBA O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(-c2cccc(C(F)(F)F)c2)o1 4993563 RGNDMQQDDBMVRX-UHFFFAOYSA-N 376.290 5.126 5 50 GKBA Cc1c(OCc2cccc(C(F)(F)F)c2)ccc2c1oc(=O)c1ccccc12 1902796 HEDZTHQAYJVYID-UHFFFAOYSA-N 384.353 5.852 5 50 GKBA COc1cc([N+](=O)[O-])ccc1NC(=O)N(C1CCCCC1)C1CCCCC1 4797207 QBFYNBDRCCJMPX-UHFFFAOYSA-N 375.469 5.103 5 50 GKBA O=[N+]([O-])c1cccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccco4)=NN32)c1 5123746 RPGSPPHRUQBWCR-FXAWDEMLSA-N 395.802 5.084 5 50 GKBA O=C(OCc1cccc([N+](=O)[O-])c1)c1cc(-c2cccs2)nc2ccccc12 1132093 HFAQPXNXAJZEAH-UHFFFAOYSA-N 390.420 5.229 5 50 GKBA COc1ccccc1NC(=O)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 2880128 KYNVVCUFOUHMGH-UHFFFAOYSA-N 398.802 5.301 5 50 GKBA Cc1coc2c3ccc4c(c3c3[nH]c(-c5cccc(O)c5)nc3c12)CCCC4(C)C 1848443319 GKOFHABTOQEZPX-UHFFFAOYSA-N 396.490 6.757 5 50 GKBA CCc1sc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)nc1-c1ccccc1 1124580 BPPMGKSHNVNKLM-UHFFFAOYSA-N 387.848 5.186 5 50 GKBA Cc1nc(Cl)c(C(=O)N(Cc2ccccc2)c2ccccc2)c(C)c1[N+](=O)[O-] 4754016 NUVUTQQSLHHKHE-UHFFFAOYSA-N 395.846 5.107 5 50 GKBA CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1C[C@H]1OC[C@H](C[N+]2(Cc3ccccc3)CCCCC2)O1 136596364 FPLFYPVTBGXHRG-KEOOTSPTSA-N 398.611 5.391 5 50 GKBA Cc1cccc(NC2=C[C@@H](c3ccccc3[N+](=O)[O-])N(c3cccc(C)c3)C2=O)c1 100645249 CQCOTKVHDJKQIQ-QHCPKHFHSA-N 399.450 5.296 5 50 GKBA CCc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 5674337 NABSXXZLUXIJIQ-ISKFKSNPSA-N 399.450 5.400 5 50 GKBA Cc1ccc(C(=O)C[C@@H](Sc2ccccc2N)c2cccc([N+](=O)[O-])c2)cc1 985442 SEDCAASEJJLQPO-JOCHJYFZSA-N 392.480 5.592 5 50 GKBA Cc1c(O)ccc2c1oc1c(-c3cccc(Cl)c3F)c3cnn(C)c3nc12 253408203 KMTLUEZATJYJOA-UHFFFAOYSA-N 381.794 5.341 5 50 GKBA O=C(/C=C/c1c(Cl)cccc1Cl)Nc1nc2ccc([N+](=O)[O-])cc2s1 957073 BWKSSMCBIQIBAQ-FNORWQNLSA-N 394.239 5.163 5 50 GKBA O=C(Nc1cccc2ccccc12)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 4819505 OUMOFXRAONWZLM-HAVVHWLPSA-N 394.430 5.927 5 50 GKBA CCCCc1ccc(NC(=O)CCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 4542639 AAKNIPUQLUUCGA-UHFFFAOYSA-N 392.455 5.769 5 50 GKBA COc1cccc(C(=O)CSc2nc3ccccc3c3nc4ccccc4n23)c1 16399412 CAOKHYYQAMADFE-UHFFFAOYSA-N 399.475 5.019 5 50 GKBA O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccccc1[N+](=O)[O-] 1513005 WAUIMCWAYWLNRC-UHFFFAOYSA-N 375.409 5.124 5 50 GKBA COc1ccc(-c2ccccc2)cc1NCc1c2ccccc2cc2ccccc12 2894110 TUNDQYIOWLSWPC-UHFFFAOYSA-N 389.498 7.281 5 50 GKBA Cc1ccc2sc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3)nc2c1 753114 CLQUMCZPDMYYOZ-UHFFFAOYSA-N 389.436 5.432 5 50 GKBA Cc1ccc(-c2nnc(Sc3ccc(Cl)cc3[N+](=O)[O-])n2C)c(Cl)c1 5065692 FHDMIJNHDYMKRO-UHFFFAOYSA-N 395.271 5.157 5 50 GKBA O=Cc1ccc(-c2ccc3ccc4ccc(-c5ccc(C=O)cc5)nc4c3n2)cc1 164852328 UGTIDCSATIABNJ-UHFFFAOYSA-N 388.426 5.742 5 50 GKBA O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc(-c2ccc(Cl)cc2Cl)o1 1184153 SCUNJYOPVCJTFU-UHFFFAOYSA-N 395.173 5.553 5 50 GKBA O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(Cl)cc1[N+](=O)[O-] 1136804 VBSDGCYARIPDHQ-UHFFFAOYSA-N 379.121 5.173 5 50 GKBA O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nccn1Cc1ccccc1 1150539 XCLLUDWONYYKIY-UHFFFAOYSA-N 379.363 5.010 5 50 GKBA CCOc1ccc(Nc2nc(-c3cccc([N+](=O)[O-])c3)nc3ccccc23)cc1 2813774 FMIVYMXQJOJJKG-UHFFFAOYSA-N 386.411 5.347 5 50 GKBA Cc1ccc2c(c1)[C@@H](c1ccccc1)C[C@H](C)N2C(=O)c1ccc([N+](=O)[O-])cc1 1146012 ZWVZVYMFFYLSKH-LAUBAEHRSA-N 386.451 5.474 5 50 GKBA O=c1oc2ccc3ccccc3c2cc1-c1cn2c(n1)sc1cc(F)ccc12 1183704 SXXRIRXBGPRJHA-UHFFFAOYSA-N 386.407 5.615 5 50 GKBA O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCOC12CC3CC(CC(C3)C1)C2 4575196 KAMIOEFCVRYMMP-UHFFFAOYSA-N 384.398 5.011 5 50 GKBA Cc1ccc(NC2=C[C@H](c3ccc([N+](=O)[O-])cc3)N(c3ccc(C)cc3)C2=O)cc1 100284558 ALHVZGJZPNESJX-HSZRJFAPSA-N 399.450 5.296 5 50 GKBA Cc1c(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cccc1[N+](=O)[O-] 1218677 SKNMTVVRZKLAPF-UHFFFAOYSA-N 392.255 5.193 5 50 GKBA O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(OCc2ccccc2)cc1 1170046 SBBDSLXONNWTSK-UHFFFAOYSA-N 382.803 5.080 5 50 GKBA Clc1cccc(N2CCN(Cc3c4ccccc4cc4ccccc34)CC2)c1 19633871 WRGMEIYPUZPXFG-UHFFFAOYSA-N 386.926 5.969 5 50 GKBA O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 1122534 FXMVOFQDIKJAFH-UHFFFAOYSA-N 376.290 5.126 5 50 GKBA CCn1c2ccccc2c2cc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])ccc21 2834978 FIYSVXNTPBVHKB-UHFFFAOYSA-N 393.830 5.628 5 50 GKBA COCc1cc(C)nc2sc(-c3ccc([N+](=O)[O-])cc3)c(-n3cccc3)c12 1068587 VRSMQPKQGHAQHK-UHFFFAOYSA-N 379.441 5.117 5 50 GKBA O=C1Nc2ccccc2Oc2cc([N+](=O)[O-])cc(Oc3ccc(Cl)cc3)c21 1097639 SAPHMWFMICIXKV-UHFFFAOYSA-N 382.759 5.399 5 50 GKBA COc1ccc(NC(=O)c2cccc(Oc3ccc([N+](=O)[O-])cc3Cl)c2)cc1 1140622 UIYRVVZHZVHONZ-UHFFFAOYSA-N 398.802 5.301 5 50 GKBA aggregator COc1ccccc1-c1cc(C(=O)Nc2ccccc2[N+](=O)[O-])c2ccccc2n1 5048308 DCPZTCOIZDVLPZ-UHFFFAOYSA-N 399.406 5.071 5 50 GKBA O=[N+]([O-])c1ccc(-c2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1 3123143 YRUWHARBQSANBQ-UHFFFAOYSA-N 376.803 5.163 5 50 GKBA O=C(Nc1ccccc1C(F)(F)F)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 1185473 VOKPEMGNRYKVBG-UHFFFAOYSA-N 376.290 5.126 5 50 GKBA CC/C(=C(\c1ccccc1)c1ccc(OCC[N+](C)(C)[O-])cc1)c1ccccc1 1849477 YAASNACECBQAFW-QPLCGJKRSA-N 387.523 6.009 5 50 GKBA world CCc1ccc(S[C@@H](CC(=O)c2ccccc2)c2cccc([N+](=O)[O-])c2)s1 2464449 POKOBVWQNZPACH-FQEVSTJZSA-N 397.521 6.325 5 50 GKBA O=[N+]([O-])c1ccc(SCc2ccc(Cl)cc2)c(C2SCCS2)c1 2570976 BJBQAEVHVSGNEJ-UHFFFAOYSA-N 383.947 6.019 5 50 GKBA COc1ccc([N+](=O)[O-])cc1-c1nc(-c2cccs2)[nH]c1-c1ccccc1 4872947 MWMYDSXXILQQCH-UHFFFAOYSA-N 377.425 5.389 5 50 GKBA CCCc1cc(=O)oc2cc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc12 941173 IICXTNDJFBIDDH-UHFFFAOYSA-N 393.317 5.465 5 50 GKBA C[N@@+]12CCCC[C@@H]1[C@H](COC(=O)C1(c3ccc(Cl)cc3)CCCC1)CCC2 252441386 SZNCVAKLPZTHKF-HCYUJWNOSA-N 390.975 5.104 5 50 GKBA biogenic CCOC(=O)Cc1cc(-c2ccc([N+](=O)[O-])cc2)nc2ccc3ccccc3c12 833235 CHVLMVKKXFWDLO-UHFFFAOYSA-N 386.407 5.069 5 50 GKBA c1ccc(-c2ccc3c(c2)sc2c4ccc(-c5ccccc5)cc4sc32)cc1 44069551 SBJIDUSVEICMRY-UHFFFAOYSA-N 392.548 8.603 5 50 GKBA Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 1176774 XWJYNPMGIMCWIR-UHFFFAOYSA-N 387.395 5.272 5 50 GKBA O=C(Cc1ccccc1)OCc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 2868366 HGWCTUMQDJAYKW-UHFFFAOYSA-N 379.437 5.032 5 50 GKBA CC1CCN(C(=O)c2ccccc2Sc2c(Cl)cccc2[N+](=O)[O-])CC1 4832636 CGSXRVVHKFWFBS-UHFFFAOYSA-N 390.892 5.272 5 50 GKBA Cc1ccc2nc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)sc2c1 3105263 CCJKOJWNKPMXKR-UHFFFAOYSA-N 379.397 5.025 5 50 GKBA Cc1cccc(-c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)c3ccccc3n2)c1 1200409 DCGKPYNARPVFDH-UHFFFAOYSA-N 397.434 5.679 5 50 GKBA O=[N+]([O-])c1ccc2[nH]c3c(c2c1)CCC[C@H]3NC1CCC(c2ccccc2)CC1 5032092 MXGKDEDBOPETKV-QPFKGPCDSA-N 389.499 5.770 5 50 GKBA CCn1c(-c2cccc([N+](=O)[O-])c2)cs/c1=N\c1cccc2ccccc12 5719500 BEQABNJFNFVINR-DQRAZIAOSA-N 375.453 5.530 5 50 GKBA Cc1cc(C(=O)Nc2nc(-c3cccc4ccccc34)cs2)ccc1[N+](=O)[O-] 2748273 BHYWIAAESHGQRS-UHFFFAOYSA-N 389.436 5.432 5 50 GKBA C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1 752630 XMYMRMCDWWHWTA-HRAATJIYSA-N 387.439 5.187 5 50 GKBA Cc1ccc(SCc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1 1066661 DYEYFTAQEYBLEF-UHFFFAOYSA-N 378.453 5.448 5 50 GKBA CCC[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 4999019 QIQPEXNPNATQMN-IXYLRAAXSA-N 387.549 5.266 5 50 GKBA CCCOc1ccc(-c2cc(C(=O)O)c3c(ccc4ccccc43)n2)cc1OC 2138218 DACAGKHRCSSOSC-UHFFFAOYSA-N 387.435 5.551 5 50 GKBA Cc1ccc(-c2nc3cc(NC(=O)c4cccc([N+](=O)[O-])c4C)ccc3o2)cc1 1207658 XHXYPVKVEDDSCC-UHFFFAOYSA-N 387.395 5.272 5 50 GKBA O=C1c2ccccc2N[C@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc2ccccc2c1 1022962 KHWTYLLQWZFVRO-QHCPKHFHSA-N 395.418 5.519 5 50 GKBA CCOc1ccc(NC(=O)c2ccc(Oc3ccccc3)cc2)c([N+](=O)[O-])c1 4845061 WXYMXMVMSZZUSH-UHFFFAOYSA-N 378.384 5.038 5 50 GKBA Cc1ccc2nc(-c3ccc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3)oc2c1 1172883 KAWSPZIXEBGVPN-WUXMJOGZSA-N 399.406 5.363 5 50 GKBA O=C(OCc1cc([N+](=O)[O-])ccc1SC1CCCCC1)c1cccs1 2534546 ZJLSDIFJAVJFAF-UHFFFAOYSA-N 377.487 5.438 5 50 GKBA O=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1cccc([N+](=O)[O-])c1 1209884 XYMWBQLOZDMYRN-UHFFFAOYSA-N 392.802 5.044 5 50 GKBA Oc1ccc2ccc3ccccc3c2c1-c1c(O)ccc2ccc3ccccc3c12 43214927 NBWRXHUVCCXVBP-UHFFFAOYSA-N 386.450 7.378 5 50 GKBA O=[N+]([O-])c1c(N2CCC[C@H]2c2cccc(Cl)c2Cl)ccc2cnccc12 2325759432 UCJNGQBLXBQBIV-INIZCTEOSA-N 388.254 5.791 5 50 GKBA O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 2974910 LBFMKNWTEXYLMI-UHFFFAOYSA-N 396.402 5.678 5 50 GKBA Cc1cc2oc(C(=O)Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(C)c2cc1C 5012604 RHUBECFGHUEDEL-UHFFFAOYSA-N 392.333 5.537 5 50 GKBA CCc1ccc2oc(-c3cccc(NC(=O)c4ccccc4[N+](=O)[O-])c3)nc2c1 841526 UFGGQQPRWUYSEF-UHFFFAOYSA-N 387.395 5.218 5 50 GKBA O=C(Nc1cc([N+](=O)[O-])cc2oc(-c3ccccc3)cc12)c1ccc(F)cc1 1089565 RZKDJYUTBVNJSI-UHFFFAOYSA-N 376.343 5.399 5 50 GKBA O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(Cl)ccc1[N+](=O)[O-] 1111799 UWLGVTYQJPWADM-UHFFFAOYSA-N 379.121 5.173 5 50 GKBA O=[N+]([O-])c1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC1CCC(c2ccccc2)CC1 5032095 MXGKDEDBOPETKV-KXXGJQBSSA-N 389.499 5.770 5 50 GKBA Cc1ccc2c(c1)Oc1cc([N+](=O)[O-])cc(Oc3ccc(Cl)cc3)c1C(=O)N2 1097647 ZQOIAUYEJQVMRH-UHFFFAOYSA-N 396.786 5.707 5 50 GKBA CCCOc1ccc([N+](=O)[O-])cc1/C=C/c1ccc2cccc(OC(C)=O)c2n1 4881879 GZKMLPSGMMCQFH-CSKARUKUSA-N 392.411 5.028 5 50 GKBA COc1ccc([N+](=O)[O-])cc1-c1[nH]c(-c2cc(C)ccc2C)nc1-c1ccccc1 2359423 ZWMXYZPELDTZHH-UHFFFAOYSA-N 399.450 5.944 5 50 GKBA CCc1ccc(-c2nc3cc(NC(=O)c4cccc([N+](=O)[O-])c4)ccc3o2)cc1 826460 ALDLRFRHDGPXCC-UHFFFAOYSA-N 387.395 5.218 5 50 GKBA in-vitro O=c1c([N+](=O)[O-])c(Nc2ccc(Cl)cc2)c2ccccc2n1-c1ccccc1 5775981 OVMBMBHDUKTVRP-UHFFFAOYSA-N 391.814 5.296 5 50 GKBA O=[N+]([O-])c1cccc(-c2cc(-c3ccccc3)c3c(ccc4ccccc43)n2)c1 2029987 URKRZEHNDCCHAN-UHFFFAOYSA-N 376.415 6.630 5 50 GKBA O=[N+]([O-])c1ccc(-c2cc(-c3ccccc3)nc3ccc4ccccc4c23)cc1 2963182 OYDMVYOKKIAIBU-UHFFFAOYSA-N 376.415 6.630 5 50 GKBA C[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21 19893557 QXLBKOPHQFSSOR-FYYLOGMGSA-N 385.423 5.011 5 50 GKBA Cc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1[N+](=O)[O-] 1860129 HSPOOPDJOIIATB-UHFFFAOYSA-N 389.436 5.432 5 50 GKBA Cc1ccc2nc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)sc2c1 830431 MTSFXZMBBFIOST-UHFFFAOYSA-N 379.397 5.025 5 50 GKBA CCOC(=O)c1cnc2c(ccc3ccccc32)c1Nc1cccc(Cl)c1 1768289 NJZXYLUHTXIMSK-UHFFFAOYSA-N 376.843 5.962 5 50 GKBA Cc1c(NC(=O)c2cccc([N+](=O)[O-])c2C)cccc1-c1nc2ccccc2o1 1143556 WOCGBOZFLFVVCC-UHFFFAOYSA-N 387.395 5.272 5 50 GKBA Cc1ccc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 4902243 BLZSURNASLTGAY-FQEVSTJZSA-N 378.453 5.375 5 50 GKBA O=[N+]([O-])c1ccc(-c2csc(N3CCC(Cc4ccccc4)CC3)n2)cc1 2998298 RZBHSWXUBDCOOK-UHFFFAOYSA-N 379.485 5.177 5 50 GKBA CCc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 252002542 NABSXXZLUXIJIQ-UPVQGACJSA-N 399.450 5.400 5 50 GKBA O=C(Nc1cc(Sc2ccccc2)cc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 1230246 HYSFVYGIMJZGRJ-UHFFFAOYSA-N 386.379 5.277 5 50 GKBA COc1ccc([N+](=O)[O-])cc1-c1nc(-c2ccccc2O)[nH]c1-c1ccccc1 6282491 LKAMMPLHDFIZMV-UHFFFAOYSA-N 387.395 5.033 5 50 GKBA O=C(CCSc1ccc([N+](=O)[O-])cc1)Oc1ccc(-c2ccccc2)cc1 1132006 AYDLLSXHBURFKS-UHFFFAOYSA-N 379.437 5.350 5 50 GKBA O=C(Nc1nc2ccccc2s1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 1208962 WGKUEYWLVSBZOZ-UHFFFAOYSA-N 391.408 5.249 5 50 GKBA C[C@H](CC[C@H](COc1ccccc1[N+](=O)[O-])[C@H](C)CC(C)(C)C)CC(C)(C)C 101016258 VOWXGOGQMZSMGZ-VAMGGRTRSA-N 391.596 7.515 5 50 GKBA CC(C)(C)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1Br 1129673 WDGCBRBUISPNTH-UHFFFAOYSA-N 395.228 5.046 5 50 GKBA Cc1ccc(NC(=O)OCCOc2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])c1 4799728 YOXXUJNDQRILPI-UHFFFAOYSA-N 392.411 5.198 5 50 GKBA COc1cccc(-c2coc3c(C)c4oc(=O)c5cc(OC)ccc5c4cc23)c1 1156116 CRXSOOCRQGPYHJ-UHFFFAOYSA-N 386.403 5.685 5 50 GKBA biogenic CCCc1sc(NC(=O)c2ccccc2[N+](=O)[O-])nc1-c1ccc(C)cc1 1172618 AUTOERIVINWZOP-UHFFFAOYSA-N 381.457 5.232 5 50 GKBA CCCOc1ccc(-c2cc(-c3cccnc3)c3c(ccc4ccccc43)n2)cc1 2190429 MEVGDXRHFBLXOX-UHFFFAOYSA-N 390.486 6.906 5 50 GKBA O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)c2cn(Cc3ccccc3)c3cccc(c23)N1 263586190 RCNBKVVOBVQFHN-IBGZPJMESA-N 397.434 5.072 5 50 GKBA biogenic O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(-c2cc(Cl)ccc2Cl)o1 4990683 ZSZNPIBEIOTIFD-UHFFFAOYSA-N 377.183 5.414 5 50 GKBA CC1(C)Oc2ccc3c(c2O1)[C@@H]1CCCC[C@@H]1O[C@H]3c1ccc([N+](=O)[O-])cc1 245225928 AAANQPDAZZHISZ-SYNHAJSKSA-N 381.428 5.248 5 50 GKBA CCc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccc([N+](=O)[O-])c2)cc1 251986165 HLULPTFLWNOVDY-UPVQGACJSA-N 399.450 5.400 5 50 GKBA COc1ccc(Oc2cc([N+](=O)[O-])cc3c2C(=O)Nc2ccc(C)cc2O3)cc1 1088439 HSTBSJGOZKUBSM-UHFFFAOYSA-N 392.367 5.062 5 50 GKBA biogenic O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2ccccc2Cl)o1 4990783 KYJBPHHBSFQQAR-UHFFFAOYSA-N 377.183 5.414 5 50 GKBA C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1 752632 XMYMRMCDWWHWTA-KKSFZXQISA-N 387.439 5.187 5 50 GKBA Cc1cc(C)c2oc(-c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)nc2c1 726837 NJVLVKJAWHIPAL-UHFFFAOYSA-N 387.395 5.272 5 50 GKBA Cc1cc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)ccc1[N+](=O)[O-] 1154995 LEQWJGYOAKAKAS-UHFFFAOYSA-N 389.436 5.432 5 50 GKBA O=[N+]([O-])c1ccccc1-c1ccc(NC(=S)Nc2ccc(F)cc2F)cc1 1121821 HPSFOHTUFGMGES-UHFFFAOYSA-N 385.395 5.349 5 50 GKBA Cc1ccc(NC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1[N+](=O)[O-] 4776739 LINLSCHUZRXROA-UHFFFAOYSA-N 375.428 5.138 5 50 GKBA O=[N+]([O-])c1ccccc1-c1nc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)[nH]1 2859927 OXXNWQKIWVOBLR-UHFFFAOYSA-N 377.350 5.597 5 50 GKBA C[C@@H](NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C12CC3CC(CC(C3)C1)C2 5069374 OZKGLELHFKPFDA-KWJFTMPMSA-N 394.471 5.190 5 50 GKBA O=C(Nc1cc([N+](=O)[O-])cc2oc(-c3ccccc3)cc12)c1ccc(F)cc1F 1069925 ZNIJSOPKCPHKCA-UHFFFAOYSA-N 394.333 5.539 5 50 GKBA O=C1S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1c1ccccc1 1188257 OWZULGZUIPOZKW-PDGQHHTCSA-N 392.392 5.096 5 50 GKBA O=C(CSc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(Cl)cc1 2890905 BAYKUDSQHJEBCJ-UHFFFAOYSA-N 390.873 5.347 5 50 GKBA Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccco2)cc1Cl 4873410 UPRSBUPKWPNFPJ-UHFFFAOYSA-N 385.807 5.014 5 50 GKBA O=[N+]([O-])c1ccccc1/C=C/[C@@H]1c2sc(O)nc2S[C@@H]2[C@H]3CC[C@@H](C3)[C@H]12 329779346 SGYWDQXTPZOBCU-KIOALYGKSA-N 386.498 5.074 5 50 GKBA O=C(COc1ccccc1[N+](=O)[O-])Nc1cc(Cl)ccc1Oc1ccccc1 3382058 FIPQVJZSBOICDG-UHFFFAOYSA-N 398.802 5.058 5 50 GKBA O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 5069212 XEWJROVBEJFIPM-UHFFFAOYSA-N 391.427 5.097 5 50 GKBA O=[N+]([O-])c1ccc(-c2nc(-c3cccc4ccccc34)c(-c3ccccc3)[nH]2)cc1 8643162 TXOOVPCHBIJZSS-UHFFFAOYSA-N 391.430 6.472 5 50 GKBA N=c1oc2ccc3ccccc3c2cc1C(=O)Nc1cc(Cl)cc(Cl)c1 17078245 WGGBLUPFEDFKDA-UHFFFAOYSA-N 383.234 5.625 5 50 GKBA O=C(c1cc([N+](=O)[O-])ccc1Cl)N(Cc1ccccc1)Cc1ccccc1 4610871 MPQIUNBOFURUTC-UHFFFAOYSA-N 380.831 5.091 5 50 GKBA COc1cc2c(cc1NC(=O)c1cccc([N+](=O)[O-])c1C)oc1ccccc12 3567068 QYTLRVWZJUAWQZ-UHFFFAOYSA-N 376.368 5.064 5 50 GKBA aggregator O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccccc1[N+](=O)[O-] 1131949 VZTYBMBWIJYKEE-UHFFFAOYSA-N 375.409 5.124 5 50 GKBA CCc1cc(=O)oc2cc(Oc3ccc([N+](=O)[O-])cc3C(F)(F)F)ccc12 1155459 BDQMFKPTDVHSBR-UHFFFAOYSA-N 379.290 5.075 5 50 GKBA Cc1c(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)cccc1[N+](=O)[O-] 1180699 QNVAEBCXLFQHHV-HXUWFJFHSA-N 378.453 5.375 5 50 GKBA aggregator CN(C)c1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)[C@@H](c3ccccc3)C2)cc1 3880415 AGPJQRQSIKAGEU-HSZRJFAPSA-N 386.455 5.017 5 50 GKBA Cc1ccc(C(c2ccc(C)o2)c2cc([N+](=O)[O-])cc(Br)c2O)o1 3846753 AEJXJDJYBPJKTQ-UHFFFAOYSA-N 392.205 5.046 5 50 GKBA biogenic Cc1ccc(OCc2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1 4085080 UQWDFHXCBWYTAR-UHFFFAOYSA-N 385.872 6.287 5 50 GKBA O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])Oc1ccccc1Cc1ccccc1 4800884 YEGGFLNCUUPUDS-UHFFFAOYSA-N 382.803 5.450 5 50 GKBA O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(Cl)c([N+](=O)[O-])c1 1208963 FYXMIXQSFVQQGG-UHFFFAOYSA-N 392.802 5.044 5 50 GKBA C[N@+]12CCCC[C@@H]1[C@H](COC(=O)C1(c3ccc(Cl)cc3)CCCC1)CCC2 252441387 SZNCVAKLPZTHKF-NXQMDHLFSA-N 390.975 5.104 5 50 GKBA biogenic O=[N+]([O-])c1ccc(N2CCc3sccc3[C@@H]2c2ccc(Cl)cc2)c(F)c1 888099474 LXCCQXPGMNKRNG-IBGZPJMESA-N 388.851 5.601 5 50 GKBA Cc1ccc(SCc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)cc1 1061244 SVHPCZCGYFTLBX-UHFFFAOYSA-N 392.480 5.756 5 50 GKBA Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(-c2ccccc2)nc2ccccc12 4602908 JQAVQCXESUWQAL-UHFFFAOYSA-N 383.407 5.371 5 50 GKBA Cc1ccc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 4902242 BLZSURNASLTGAY-HXUWFJFHSA-N 378.453 5.375 5 50 GKBA Cc1cc(OCc2ccc([N+](=O)[O-])cc2)c2c(-c3ccccc3)cc(=O)oc2c1 2869908 BIRCBTSOQOMCHD-UHFFFAOYSA-N 387.391 5.256 5 50 GKBA Cc1cccc(Nc2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)c1 4607928 ROXQJIQAWCEMDX-UHFFFAOYSA-N 384.460 6.122 5 50 GKBA CC(C)=CCc1c(O)c(CC=C(C)C)c2oc3c(O)cccc3c(=O)c2c1O 5849312 GVQOVMKBYJKZSY-UHFFFAOYSA-N 380.440 5.080 5 50 GKBA endogenous,in-man O=Cc1ccc(OCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)cc2)cc1 1148883 GWXJDPWZYHMGBD-UHFFFAOYSA-N 383.787 5.432 5 50 GKBA O=[N+]([O-])c1ccc(-c2nc(NCc3ccccc3)cc(-c3ccccc3)n2)cc1 2932861 AYFHBZHVQHCONB-UHFFFAOYSA-N 382.423 5.331 5 50 GKBA O=c1c2ccc(Br)c3cccc(c32)c2nc3cccc4cccc(c43)n12 1231123 PPDMCNTYJPKQDP-UHFFFAOYSA-N 399.247 5.508 5 50 GKBA O=C(Nc1nc(-c2cccnc2)cs1)c1cc2ccccc2c2cccnc12 225508216 JUADQMLFJLOSEE-UHFFFAOYSA-N 382.448 5.159 5 50 GKBA O=c1oc2cc(Oc3ccc([N+](=O)[O-])cc3C(F)(F)F)ccc2c2c1CCC2 1155232 NZEAIESJABSFNH-UHFFFAOYSA-N 391.301 5.001 5 50 GKBA O=C1Nc2cc(Cl)ccc2Oc2cc([N+](=O)[O-])cc(Oc3ccccc3)c21 2503841 VJNWIPBZSHZQTI-UHFFFAOYSA-N 382.759 5.399 5 50 GKBA O=[N+]([O-])c1ccc(COc2ccc(CNc3ccc(F)cc3)cc2Cl)cc1 2846418 KKAVEPSLWOEMFN-UHFFFAOYSA-N 386.810 5.578 5 50 GKBA CCOC(=O)c1cnc2c(ccc3ccccc32)c1Nc1cccc(C(C)=O)c1 706915 HCDSBKCPTKRBJS-UHFFFAOYSA-N 384.435 5.511 5 50 GKBA COc1ccc(-c2cc(/C=C/c3ccccc3)c3c(ccc4ccccc43)n2)cc1 8657477 KCTRWOIUUSIFGE-VAWYXSNFSA-N 387.482 7.234 5 50 GKBA O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1sc2ccccc2c1Cl 654583 RXWYTGOFYNOWLI-UHFFFAOYSA-N 389.845 5.325 5 50 GKBA Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 4592783 PRPMRIQALGHNGG-UHFFFAOYSA-N 392.480 5.756 5 50 GKBA O=[N+]([O-])c1ccc2nc3c4ccccc4n(CCCN4CCCCC4)c3cc2c1 754597 AEEUMZKBXUBZMH-UHFFFAOYSA-N 388.471 5.127 5 50 GKBA C[C@H](Oc1ccc(Cl)cc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 1145228 RMHRQCXMNYKKNE-VIFPVBQESA-N 380.187 5.092 5 50 GKBA Cc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(C)cc3)c2[N+](=O)[O-])cc1 3080666 NKPSJHUHKXJFIW-UHFFFAOYSA-N 379.459 7.213 5 50 GKBA O=[N+]([O-])c1cccc(-c2[nH]nc(-c3ccccc3)c2-c2nc3ccccc3[nH]2)c1 3876742 XAEUPBHGUNGJAO-UHFFFAOYSA-N 381.395 5.195 5 50 GKBA Cc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1[N+](=O)[O-] 2855724 NXZCHBKFVVUKIU-UHFFFAOYSA-N 382.803 5.601 5 50 GKBA c1ccc(-c2cc(-c3ccc4ccccc4n3)c3c(ccc4ccccc43)n2)nc1 4982381 GESZOBZIBMQRLH-UHFFFAOYSA-N 383.454 6.665 5 50 GKBA C[C@H]1CCc2c(sc3nc4c5ccccc5c(-c5ccccc5)nn4c(=O)c23)C1 1801784 CEWROALGQBGICQ-AWEZNQCLSA-N 397.503 5.249 5 50 GKBA CC[C@@](C)(c1ccccc1)[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 3136881 SBZYRHILNUSTDD-VWNXMTODSA-N 389.451 5.861 5 50 GKBA CC(=O)c1cccc(OCc2ccc(Oc3c(Cl)cccc3[N+](=O)[O-])cc2)c1 1140859 QZVQCYVVMXOFOE-UHFFFAOYSA-N 397.814 5.822 5 50 GKBA c1ccc(N2CCN(Cc3ccc4ccc5cccc6ccc3c4c56)CC2)nc1 4987053 MUPULPDVTPYUQG-UHFFFAOYSA-N 377.491 5.301 5 50 GKBA O=[N+]([O-])c1ccc(-c2nc(Nc3ccc(Cl)cc3)c3ccccc3n2)cc1 16974934 KRFXYFSDGQFVSC-UHFFFAOYSA-N 376.803 5.602 5 50 GKBA O=C(O)C12CC=CCC1(C(=O)c1cc3ccccc3c3ccccc13)CC=CC2 45070899 BBHFELWJACPFED-UHFFFAOYSA-N 382.459 5.933 5 50 GKBA O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)s1)c1ccco1 1184019 TXOULGRLZLBQNC-UHFFFAOYSA-N 391.408 5.231 5 50 GKBA Cc1ccc(Sc2ccc(COc3cccc(Cl)c3)cc2[N+](=O)[O-])cc1 4085082 MXSONZDMZCKHQV-UHFFFAOYSA-N 385.872 6.287 5 50 GKBA C[C@@H](Nc1cc(N2CCCC2)ccc1[N+](=O)[O-])c1ccc(Br)cc1 4663730 GZLYXCMFOOAGMW-CYBMUJFWSA-N 390.281 5.131 5 50 GKBA COc1c(C(=O)Nc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)ccc2ccccc12 1140742 XQKYZVOTQHDZEU-UHFFFAOYSA-N 398.418 5.676 5 50 GKBA O=C(Nc1ccccc1Cl)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 4819700 QJIZQEMWLDBZJM-NBVRZTHBSA-N 378.815 5.428 5 50 GKBA O=C1C[C@H](c2cccc([N+](=O)[O-])c2)c2cn(Cc3ccccc3)c3cccc(c23)N1 263586191 RCNBKVVOBVQFHN-LJQANCHMSA-N 397.434 5.072 5 50 GKBA biogenic O=C(Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Br)cc1 1228557 YWPSUCZSWDCOHB-UHFFFAOYSA-N 397.228 5.277 5 50 GKBA Cc1c(OC(=O)c2ccc(Cl)cc2Cl)ccc2c1oc(=O)c1ccccc12 2976831 NBQKFDLUOFEPJR-UHFFFAOYSA-N 399.229 5.781 5 50 GKBA Cc1c(C)c2ccc(Oc3ccc([N+](=O)[O-])cc3C(F)(F)F)cc2oc1=O 1155277 QHAMHCBOJHPBHA-UHFFFAOYSA-N 379.290 5.129 5 50 GKBA c1ccc2nc(-c3cc(-c4ccncc4)nc4ccc5ccccc5c34)ccc2c1 4982175 YKKFYSDWLZZFJS-UHFFFAOYSA-N 383.454 6.665 5 50 GKBA O=[N+]([O-])c1cc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccco4)=NN23)ccc1Cl 25782092 RDGUKPMHFCXRJR-UZLBHIALSA-N 395.802 5.084 5 50 GKBA Cc1ccc2oc(-c3ccc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3)nc2c1 1172784 XGIPXSYFMBWVCK-WUXMJOGZSA-N 399.406 5.363 5 50 GKBA COc1cc2c(cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1)oc1ccccc12 4705008 KUEIXIAFCDTYAH-UHFFFAOYSA-N 376.368 5.064 5 50 GKBA O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-c2cccc(Cl)c2)o1 1185308 OIWOGRRXZOEUNY-UHFFFAOYSA-N 377.183 5.414 5 50 GKBA O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@H](Sc1ccccc1)c1ccccc1 1179958 LOMFSNXLUXYONN-LJQANCHMSA-N 382.416 5.206 5 50 GKBA Cc1c(C(=O)Nc2ccc3oc(-c4cccc(F)c4)nc3c2)cccc1[N+](=O)[O-] 1153706 SHWWJLUDOIFNMR-UHFFFAOYSA-N 391.358 5.103 5 50 GKBA Cc1ccc(NC(=O)c2ccc(NCc3ccco3)c([N+](=O)[O-])c2)cc1Cl 4706722 YXJHAVRFPGVYJE-UHFFFAOYSA-N 385.807 5.014 5 50 GKBA aggregator Brc1c2ccccc2c(-c2cccc3ccccc23)c2ccccc12 49588493 SYACRXBYRNYMLN-UHFFFAOYSA-N 383.288 7.576 5 50 GKBA in-vitro Cc1cc(=O)oc2cc(Oc3ccc([N+](=O)[O-])cc3C(F)(F)F)c(Cl)cc12 1153395 NDLHOYFCWSTYOT-UHFFFAOYSA-N 399.708 5.474 5 50 GKBA O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(Oc2ccc(Cl)cc2)cc1 2982622 UMVXFVONBOGCJY-UHFFFAOYSA-N 398.802 5.058 5 50 GKBA O=[N+]([O-])c1ccccc1-c1nc(-c2cnc3ccccc3c2)c(-c2ccccc2)[nH]1 1195415 JPRUNGLCNDTKAJ-UHFFFAOYSA-N 392.418 5.867 5 50 GKBA Cc1ccc(NC2=C[C@@H](c3ccccc3[N+](=O)[O-])N(c3ccc(C)cc3)C2=O)cc1 100573062 MMGDNNRFKWEQSZ-QHCPKHFHSA-N 399.450 5.296 5 50 GKBA CCC(=O)Nc1ccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 236828098 RMMJFYZXRSMWQJ-UHFFFAOYSA-N 381.457 5.284 5 50 GKBA c1cnc2c(c1)ccc1c(N[C@@H]3CCC[C@@H](c4nc5ccccc5[nH]4)C3)ccnc12 2325876257 OTOYRGXJHQSCAV-QZTJIDSGSA-N 393.494 5.798 5 50 GKBA Cc1ccc(-c2nc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)sc2C)cc1 947324 HUDWTNPSDGZHNN-UHFFFAOYSA-N 387.848 5.241 5 50 GKBA Cc1ccc(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)c([N+](=O)[O-])c1 4614193 LRCKJYCGHLWELH-UHFFFAOYSA-N 387.395 5.272 5 50 GKBA O=C(NCCC1=CCCCC1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 4872554 BVBNXTRDRNCFAT-OQKWZONESA-N 376.456 5.142 5 50 GKBA O=C(Nc1ccc(F)c([N+](=O)[O-])c1)Nc1cc(C(F)(F)F)ccc1Cl 1741677 JBSUIKVDZBZANF-UHFFFAOYSA-N 377.681 5.050 5 50 GKBA O=[N+]([O-])c1cc2c(Cl)c(Cl)c(Cl)c(Cl)c2c(Cl)c1Cl 3080672 HNKLZNMTZMOHHA-UHFFFAOYSA-N 379.841 6.668 5 50 GKBA CCCCCCC1=NN2[C@H](C1)c1ccccc1O[C@@H]2c1ccc([N+](=O)[O-])cc1 5711688 ZQZNCMLBAWQKCZ-IFMALSPDSA-N 379.460 5.759 5 50 GKBA CCOc1ccccc1Nc1nc(-c2ccc([N+](=O)[O-])cc2)nc2ccccc12 16996309 IVWJQJWJBGLXCY-UHFFFAOYSA-N 386.411 5.347 5 50 GKBA C[C@@H]1C[C@@H](N(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)c2ccccc2N1 1181737 JZBUSWXHRCFISV-OPAMFIHVSA-N 387.439 5.187 5 50 GKBA O=C(Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1)c1ccccc1[N+](=O)[O-] 841524 LSNCOICIYGVEBB-UHFFFAOYSA-N 393.786 5.309 5 50 GKBA COc1ccc([C@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccccc2)cc1 1129736 IHTUQAMFBSZYBT-OAQYLSRUSA-N 390.439 5.073 5 50 GKBA O=[N+]([O-])c1ccc(-c2ccc(-c3csc(Nc4ccccn4)n3)o2)c(Cl)c1 4958095 KIWPXSTUMXCEKH-UHFFFAOYSA-N 398.831 5.770 5 50 GKBA c1ccc(-c2cc(-c3ccccc3)[n+]3c(c2)c2ccccc2c2cccnc23)cc1 5332098 KKLRASCQXDGCPR-UHFFFAOYSA-N 383.474 6.461 5 50 GKBA O=[N+]([O-])c1ccc(-c2cnc(SC(c3ccccc3)c3ccccc3)[nH]2)cc1 5888310 WWDHGMDMNFLVLV-UHFFFAOYSA-N 387.464 5.867 5 50 GKBA aggregator O=[N+]([O-])c1ccc(SC2CCCCC2)c(/C=C2/SC(=S)N=C2O)c1 4118684 XIYMFINBWDHZFP-NTEUORMPSA-N 380.516 5.349 5 50 GKBA Cc1cc(C(=O)Nc2ccc3oc(-c4cccc(F)c4)nc3c2)ccc1[N+](=O)[O-] 725615 YDTPMPJPBDJJBL-UHFFFAOYSA-N 391.358 5.103 5 50 GKBA O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc([N+](=O)[O-])cc1 1507952 PUGXXJPOQPZRFK-UHFFFAOYSA-N 375.409 5.124 5 50 GKBA O=C(Nc1ccc([N+](=O)[O-])cc1)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 15401574 SZMRJBUQXISWOA-WDXRGRCHSA-N 376.456 5.072 5 50 GKBA Cc1ccc(-n2cc(-c3ccc4ccccc4c3[N+](=O)[O-])c(C(F)(F)F)n2)cc1 3048953 SDNNHEOBMOKTHP-UHFFFAOYSA-N 397.356 5.928 5 50 GKBA O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1cc([N+](=O)[O-])ccc1Cl 1216549 WVTJYJLSLTZNSB-UHFFFAOYSA-N 393.786 5.309 5 50 GKBA CC1(C)c2ccccc2N(c2ccccc2)[C@@]12C=Cc1cccc([N+](=O)[O-])c1O2 2025702 LUMZEEBSMVLNLO-XMMPIXPASA-N 384.435 5.826 5 50 GKBA COc1cc2c(cc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])oc1ccccc12 4722437 VLBUJJRRIGZJFE-UHFFFAOYSA-N 396.786 5.409 5 50 GKBA Cc1ccc(C(c2ccc(C)o2)c2cc(Br)cc([N+](=O)[O-])c2O)o1 35614479 VRBVDQFFZKACNF-UHFFFAOYSA-N 392.205 5.046 5 50 GKBA biogenic O=C(Nc1ccc(Cl)cc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 1212297 FNKWRXRTZZTRGQ-UHFFFAOYSA-N 377.183 5.414 5 50 GKBA O=C(Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc([N+](=O)[O-])cc1 4953033 BITAUHJZNXRMLX-UHFFFAOYSA-N 377.440 5.282 5 50 GKBA COc1ccc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1[N+](=O)[O-] 1138183 AGRCDMGYDPGMEF-UHFFFAOYSA-N 398.802 5.301 5 50 GKBA Cc1cc([N+](=O)[O-])ccc1N1COc2ccc3cc(Br)ccc3c2C1 4310729 UJEOHQDYHIVRTQ-UHFFFAOYSA-N 399.244 5.175 5 50 GKBA O=[N+]([O-])c1ccc(CSc2ncnc3scc(-c4ccccc4)c23)cc1 955548 ZRSXPGNNLBOOOU-UHFFFAOYSA-N 379.466 5.559 5 50 GKBA CC(=O)c1ccc(OC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])cc1 1120697 FPZKKGWZDGIZII-UHFFFAOYSA-N 393.420 5.168 5 50 GKBA Cc1ccc2c(c1)-c1nc(SCc3cccc([N+](=O)[O-])c3)ncc1CS2 1403609 AXDAEUOSQHVEEH-UHFFFAOYSA-N 381.482 5.258 5 50 GKBA O=C(Nc1ccc(F)cc1)c1cccc(Oc2ccc([N+](=O)[O-])cc2Cl)c1 1140731 FCIWGDBYXVHBIP-UHFFFAOYSA-N 386.766 5.432 5 50 GKBA O=C(Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1-c1ccccc1 2839733 RGHLFQXYTFOCAX-UHFFFAOYSA-N 394.430 6.181 5 50 GKBA Cc1ccc(NC2=C[C@H](c3ccccc3[N+](=O)[O-])N(c3ccc(C)cc3)C2=O)cc1 100573061 MMGDNNRFKWEQSZ-HSZRJFAPSA-N 399.450 5.296 5 50 GKBA O=[N+]([O-])c1ccc(NC(=S)NCCC(c2ccccc2)c2ccccc2)cc1 4090826 OTNGBGVGXRVANQ-UHFFFAOYSA-N 391.496 5.103 5 50 GKBA CCC1(CC)OC(c2ccc([N+](=O)[O-])o2)=Nc2ccc(Br)cc21 1050230 HKKGQXXARJXJBT-UHFFFAOYSA-N 379.210 5.074 5 50 GKBA CCCCCCn1c(-c2ccc([N+](=O)[O-])cc2)cs/c1=N\c1ccccc1 4567370 NXRQWMVIEOEZKG-DQRAZIAOSA-N 381.501 5.938 5 50 GKBA O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(Oc2ccc(Cl)cc2)cc1 2978793 NJMSQHAOCSYUND-UHFFFAOYSA-N 398.802 5.058 5 50 GKBA O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)c1ccc2ccccc2c1 622108 PNJJTJYZHKHCQE-UHFFFAOYSA-N 380.399 5.361 5 50 GKBA Cc1ccc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1[N+](=O)[O-] 2982407 BENJNOPOINPFSX-UHFFFAOYSA-N 382.803 5.601 5 50 GKBA CCc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 5674338 HLULPTFLWNOVDY-ISKFKSNPSA-N 399.450 5.400 5 50 GKBA O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(CSc2ccc(Cl)cc2)cc1 1147258 WBQDKUJFVVZACT-UHFFFAOYSA-N 398.871 5.793 5 50 GKBA O=[N+]([O-])c1ccc(Cl)c(C2N(c3ccccc3)CCN2c2ccccc2)c1 2070445 SICVHKNUAWRKGC-UHFFFAOYSA-N 379.847 5.274 5 50 GKBA O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1cccc2ccccc12 4031596 JVEFLJZIXZAEBT-UHFFFAOYSA-N 375.409 5.124 5 50 GKBA O=C(Nc1ccc(F)cc1[N+](=O)[O-])c1cc(-c2cccs2)nc2ccccc12 4965705 HHGJQLSHYQNGAH-UHFFFAOYSA-N 393.399 5.263 5 50 GKBA CCc1cccc(C)c1NC(=O)CCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 4542640 QGHYCDSDHJNMOE-UHFFFAOYSA-N 378.428 5.297 5 50 GKBA O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC1(c1ccccc1)c1ccccc1 1234437 PMEIIPJPQHVMQU-SFHVURJKSA-N 392.842 5.193 5 50 GKBA O=C(CC12CC3CC(CC(C3)C1)C2)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 5064161 JQXHXQRPYCBKDF-UHFFFAOYSA-N 397.500 5.263 5 50 GKBA COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(-c2cccc(Cl)c2C)o1 5093856 QMKZQMIZTGWYEL-UHFFFAOYSA-N 386.791 5.078 5 50 GKBA Cc1c(OCc2ccccc2Br)ccc2c1oc(=O)c1ccccc12 1154573 MDWMHUPJXGWHGQ-UHFFFAOYSA-N 395.252 5.596 5 50 GKBA COc1ccc(OCc2ccc(Oc3c(Cl)cccc3[N+](=O)[O-])cc2)cc1 5059547 HDQIFHUJFGMSMW-UHFFFAOYSA-N 385.803 5.628 5 50 GKBA Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cccc([N+](=O)[O-])c1C 1169199 QJGGMGWTIVWXOP-UHFFFAOYSA-N 386.411 5.007 5 50 GKBA Cc1ccnc(/N=c2\scc(-c3cccc([N+](=O)[O-])c3)n2C2CCCCC2)c1 101137379 QWIVXUVKOBNJHM-LNVKXUELSA-N 394.500 5.566 5 50 GKBA CC(C)(C)c1ccc(NC(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 1179390 RCOLFZOWPYCTMS-UHFFFAOYSA-N 397.460 5.055 5 50 GKBA Cc1ccc(C)c(N2CCN(Cc3c4ccccc4cc4ccccc34)CC2)c1 19634082 QRGHFCWCQHRERN-UHFFFAOYSA-N 380.535 5.932 5 50 GKBA CC1=C[C@H](C)[C@H]([C@@H]2OC[C@@H](C[N+]3(Cc4ccccc4)CCCCC3)O2)[C@@H](C)C1 22017965 PORVWFSZEHIALM-QYQUALKTSA-N 384.584 5.167 5 50 GKBA Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 831523 ZDDCHOPUZAQKBA-UHFFFAOYSA-N 387.395 5.272 5 50 GKBA O=[N+]([O-])c1ccc2c(c1)Oc1c(Br)cc(Br)cc1C=C2 4686848 XSQDOTBOTICNCY-UHFFFAOYSA-N 397.022 5.396 5 50 GKBA O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccccc1[N+](=O)[O-] 4957866 VMVKTESUAORMOS-UHFFFAOYSA-N 375.409 5.124 5 50 GKBA CCCOc1ccc(-c2csc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)n2)cc1 1903562 NKVMJXZMRBYXGB-UHFFFAOYSA-N 397.456 5.068 5 50 GKBA Clc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1nc2ccccc2o1 4918707 XGIVPBFHTQWXOP-UHFFFAOYSA-N 384.826 5.581 5 50 GKBA Brc1ccc(Cn2c3ccccc3c3nc4ccccc4nc32)cc1 753035 RUVUDYBTZRIRHH-UHFFFAOYSA-N 388.268 5.549 5 50 GKBA O=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1ccccc1[N+](=O)[O-] 989705 WTOGMHLPTLKPFN-UHFFFAOYSA-N 393.786 5.309 5 50 GKBA Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2)cccc1-c1nc2ccccc2s1 1218981 CDRYGQRWYJRXCR-UHFFFAOYSA-N 389.436 5.432 5 50 GKBA CCC[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 4999020 QIQPEXNPNATQMN-KXDMBUCYSA-N 387.549 5.266 5 50 GKBA C[C@H](Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(Cl)c1)c1ccccc1 5064067 GHYDZEKAXBQMKP-AWEZNQCLSA-N 395.846 5.674 5 50 GKBA CCOc1ccc(-c2csc(-c3cc4c(ccc5ccccc54)oc3=O)n2)cc1 2496033 RPTATALZQVGJRA-UHFFFAOYSA-N 399.471 6.135 5 50 GKBA Cc1cc(Oc2cc(F)cc(Br)c2F)c2cccc([N+](=O)[O-])c2n1 1875342089 XDEVBVBYCSVPLL-UHFFFAOYSA-N 395.159 5.284 5 50 GKBA CC(C)(C)c1ccc2c(Br)c3ccccc3c(Br)c2c1 3075511 BWFOVZDGMFZPFX-UHFFFAOYSA-N 392.134 6.816 5 50 GKBA Cc1ccc2c(c1)[C@@H](c1ccccc1)C[C@@H](C)N2C(=O)c1ccc([N+](=O)[O-])cc1 1146011 ZWVZVYMFFYLSKH-DYESRHJHSA-N 386.451 5.474 5 50 GKBA Cc1ccc2nc(-c3cccc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)c3)oc2c1 1180405 IUTIAMJFZURENH-UHFFFAOYSA-N 387.395 5.272 5 50 GKBA O=[N+]([O-])c1cc(Oc2ccccc2)cc(Oc2ccc(Br)cc2)c1 1516074 LWBMCXLBQLBHPG-UHFFFAOYSA-N 386.201 5.942 5 50 GKBA O=C(Nc1cccc(OC(F)(F)F)c1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 2970543 GDEPEODKPAKOID-UHFFFAOYSA-N 392.289 5.006 5 50 GKBA c1cnc2c(c1)ccc1c(N[C@@H]3CCC[C@H](c4nc5ccccc5[nH]4)C3)ccnc12 2325876259 OTOYRGXJHQSCAV-ZWKOTPCHSA-N 393.494 5.798 5 50 GKBA Cc1ccc(-c2csc(-c3cc4c(ccc5ccccc54)oc3=O)n2)c(C)c1 2496587 CPSWIQSEMXNFKV-UHFFFAOYSA-N 383.472 6.354 5 50 GKBA O=[N+]([O-])c1ccccc1-c1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)[nH]1 4813021 FGOIMVFSJPGQBG-UHFFFAOYSA-N 375.815 5.972 5 50 GKBA O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc(-c2cccc(Cl)c2Cl)o1 1148130 QFKGXXBDUWFNLD-UHFFFAOYSA-N 395.173 5.553 5 50 GKBA O=[N+]([O-])c1ccc(-c2csc3nc(-c4ccccc4)c(-c4ccccc4)n23)cc1 5313470 NHEJWGZLYLXVKP-UHFFFAOYSA-N 397.459 6.305 5 50 GKBA O=C(O[C@@H](C(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccccc1[N+](=O)[O-] 1121233 ANRVFWLUCOJJTN-HXUWFJFHSA-N 395.798 5.029 5 50 GKBA CCOc1ccccc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 1137885 BDXWRXICPPFQDT-CAPFRKAQSA-N 388.423 5.173 5 50 GKBA Cc1c(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)oc2ccccc12 4750127 RARMGVMVDZEPRK-UHFFFAOYSA-N 379.397 5.025 5 50 GKBA OC(c1c2ccccc2cc2ccccc12)c1c2ccccc2cc2ccccc12 3122120 HUMHPRCPHCVCIZ-UHFFFAOYSA-N 384.478 7.381 5 50 GKBA O=[N+]([O-])c1ccc(-c2cc(-c3ccncc3)c3c(ccc4ccccc43)n2)cc1 2029997 RFCQUSFYQDTPBT-UHFFFAOYSA-N 377.403 6.025 5 50 GKBA O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1c2ccccc2cc2ccccc12 2816647 IDIAEJSCRSLAQD-HMAPJEAMSA-N 383.834 5.991 5 50 GKBA Cc1cc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)ccc1[N+](=O)[O-] 2978931 ZSTCSCSVZWZLBT-UHFFFAOYSA-N 382.803 5.601 5 50 GKBA Cc1ccc(NC(=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)cc1Cl 4706913 CNHYQBQHXNPDBC-UHFFFAOYSA-N 387.867 5.189 5 50 GKBA CCOc1c(Cl)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1Cl 4833080 QNAOEGOCNACRJL-UHFFFAOYSA-N 389.622 5.206 5 50 GKBA O=C(Nc1ccc(Cl)cc1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1 1117636 JXIBSYYRNVPIGZ-UHFFFAOYSA-N 384.844 5.652 5 50 GKBA O=C(Nc1cccc(Cl)c1)c1ccc(COc2ccc([N+](=O)[O-])cc2)cc1 1009032 WOZBDNRUKISQKJ-UHFFFAOYSA-N 382.803 5.080 5 50 GKBA COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(-c2ccccc2)nc2ccccc12 4860476 IZQFTOJDJWMXII-UHFFFAOYSA-N 399.406 5.071 5 50 GKBA O=[N+]([O-])c1ccc(/C=C(/Sc2ccccc2)c2nc3ccccc3s2)cc1 35385138 NAZWTPFQJVOOOO-XSFVSMFZSA-N 390.489 6.495 5 50 GKBA Cc1cc(C(=C(Cl)Cl)c2cc(C)c(C)c([N+](=O)[O-])c2)cc([N+](=O)[O-])c1C 3129726 FBHDVCBMWKOMRJ-UHFFFAOYSA-N 395.242 5.931 5 50 GKBA c1ccc(N2CCN(Cc3ccc4ccc5cccc6ccc3c4c56)CC2)cc1 19632639 SONWWTMTRUNBRO-UHFFFAOYSA-N 376.503 5.906 5 50 GKBA Cc1cc2nc(-c3ccc(NC(=O)c4ccccc4[N+](=O)[O-])cc3)oc2cc1C 1203389 KNKDAJCCACEZIQ-UHFFFAOYSA-N 387.395 5.272 5 50 GKBA CC(C)(C[N+](C)(C)Cc1ccccc1)[C@@H]1O[C@@H]2CCCC[C@@H]2[C@@H]2C=CCC[C@H]21 229844389 ABSHAPYWJDXNFP-XTAUHMBVSA-N 382.612 5.829 5 50 GKBA biogenic O=[N+]([O-])c1cccc(NC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 2859079 QRQFJWZADYSLPN-UHFFFAOYSA-N 375.759 5.076 5 50 GKBA Cc1ccc(NC2=C[C@@H](c3ccc([N+](=O)[O-])cc3)N(c3ccc(C)cc3)C2=O)cc1 100284560 ALHVZGJZPNESJX-QHCPKHFHSA-N 399.450 5.296 5 50 GKBA O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc([N+](=O)[O-])cc1Cl 1215460 HXRYVIDPBWJQHS-UHFFFAOYSA-N 392.802 5.044 5 50 GKBA COc1cccc(NC(=O)c2cc([N+](=O)[O-])cc3c2C=Cc2ccccc2O3)c1 4728067 URXMNPFABBMTBG-UHFFFAOYSA-N 388.379 5.132 5 50 GKBA CCc1ccc(Nc2nnc(-c3cc4c(ccc5ccccc54)oc3=O)s2)cc1 2953668 GSXZFAWDMHIPKO-UHFFFAOYSA-N 399.475 5.771 5 50 GKBA COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccc(Oc2ccccc2)cc1 5060427 JXFBSXAENBKQKG-UHFFFAOYSA-N 379.372 5.040 5 50 GKBA C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccccc1[N+](=O)[O-] 849829 LDONLUZOKCSXAX-OXQOHEQNSA-N 387.439 5.187 5 50 GKBA O=C(Cc1ccc(Cl)cc1)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 1124904 NABVGLRFBXVEBK-UHFFFAOYSA-N 398.871 5.581 5 50 GKBA CC[C@H](C)c1ccc(-c2csc(NC(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 670927 XFYKXVXXFZXCQS-ZDUSSCGKSA-N 381.457 5.484 5 50 GKBA Oc1ccc(-c2cc(-c3cc4ccccc4o3)c3c(ccc4ccccc43)n2)cc1 4957501 KUUHUHCLBWUVGV-UHFFFAOYSA-N 387.438 7.174 5 50 GKBA O=C1Nc2ccccc2Oc2cc(SCc3ccccc3)cc([N+](=O)[O-])c21 1072748 WJKXPRPIIHNTMY-UHFFFAOYSA-N 378.409 5.245 5 50 GKBA CCc1ccc2oc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3)nc2c1 1208159 VWQDOIBVKOWLAG-UHFFFAOYSA-N 387.395 5.218 5 50 GKBA CC1(C)c2ccccc2N(c2ccccc2)[C@]12C=Cc1cc([N+](=O)[O-])ccc1O2 2285886 MHSNSHSISUQKEA-DEOSSOPVSA-N 384.435 5.826 5 50 GKBA O=C(Nc1ccc(Sc2ccc(Cl)cc2)cc1)c1ccccc1[N+](=O)[O-] 1131713 NYYYIODDEWELIC-UHFFFAOYSA-N 384.844 5.652 5 50 GKBA O=C(Nc1ccc(Cl)cc1)c1cc([N+](=O)[O-])cc2c1C=Cc1ccccc1O2 4727193 ILXRXPLOIVWUOL-UHFFFAOYSA-N 392.798 5.777 5 50 GKBA O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Nc1cccc(Cl)c1Cl 4989578 SATXWCHAHKSMTN-UHFFFAOYSA-N 396.108 5.572 5 50 GKBA CC(C)(C)CC(C)(C)c1ccc(OCCOc2ccc([N+](=O)[O-])cc2N)cc1 1761771 PRTJCUHFMZJVNQ-UHFFFAOYSA-N 386.492 5.349 5 50 GKBA Cc1[nH]c2ccccc2c1C(c1ccc([N+](=O)[O-])o1)c1c(C)[nH]c2ccccc12 5059438 SCVWBVFCWLNYDC-UHFFFAOYSA-N 385.423 5.947 5 50 GKBA O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(-c2ccc(Cl)cc2Cl)o1 1186102 XPZXSABKJLEZGO-UHFFFAOYSA-N 395.173 5.553 5 50 GKBA CCc1ccc(-c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)c3ccccc3n2)cc1 1164537 RBKOELKBPQTDGQ-UHFFFAOYSA-N 397.434 5.625 5 50 GKBA Cc1c(C)c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(C)c2oc1=O 1175748 JOTNYALZTXDIRD-UHFFFAOYSA-N 393.317 5.438 5 50 GKBA CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1C[C@H]1OC[C@@H](C[N+]2(Cc3ccccc3)CCCCC2)O1 245245650 FPLFYPVTBGXHRG-GIDFYXQGSA-N 398.611 5.391 5 50 GKBA O=C(Nc1cccc(Cl)c1)c1ccc(NCCc2ccccc2)c([N+](=O)[O-])c1 5064177 HGTUANWCNJUIAB-UHFFFAOYSA-N 395.846 5.155 5 50 GKBA CCOc1ccc(CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OCC 4184978 DGRUROUZRUVHHI-UHFFFAOYSA-N 398.381 5.066 5 50 GKBA CCSc1ccccc1C(=O)Nc1ncc(Cc2cccc([N+](=O)[O-])c2)s1 4838480 UZAOSORPHWOVIB-UHFFFAOYSA-N 399.497 5.006 5 50 GKBA O=C(OCc1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1)c1ccccc1 1108299 MGWZGFCPNXJJSH-UHFFFAOYSA-N 383.787 5.398 5 50 GKBA Cc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccc([N+](=O)[O-])c2)cc1Cl 1177742 OUFOYPRTPACSLK-FQEVSTJZSA-N 393.830 5.328 5 50 GKBA Cc1ccc2nc(-c3ccc([N+](=O)[O-])cc3)nc(-c3ccc([N+](=O)[O-])cc3)c2c1 2062936 DCDQOOXOCBKDCZ-UHFFFAOYSA-N 386.367 5.089 5 50 GKBA O=[N+]([O-])c1cc(COc2ccc(F)cc2)ccc1Sc1ccc(Cl)cc1 4085078 RMVWDZNBDSZFBN-UHFFFAOYSA-N 389.835 6.118 5 50 GKBA CC(C)(C)c1ccc(-c2nnc(Sc3ccc([N+](=O)[O-])cc3Cl)o2)cc1 4986117 YAKZKHGJRBWVEY-UHFFFAOYSA-N 389.864 5.747 5 50 GKBA C[C@H](c1ccccc1)[C@@H](Oc1c(C(=O)O)cccc1[N+](=O)[O-])c1ccccc1 4565950 KBTHVBLDLJBSKM-FOIQADDNSA-N 377.396 5.217 5 50 GKBA CCCc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)nc1-c1ccc(C)cc1 2979818 DMRUPQXTPDGACR-UHFFFAOYSA-N 381.457 5.232 5 50 GKBA CCCc1sc(NC(=O)c2cccc([N+](=O)[O-])c2)nc1-c1ccc(F)cc1 877700 PLJWTRQISVJHJN-UHFFFAOYSA-N 385.420 5.062 5 50 GKBA C[C@@H](Nc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-])c1ccccc1 5050444 VYIFESRVBXNGAH-CQSZACIVSA-N 395.846 5.674 5 50 GKBA O=C1S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1c1ccccc1 13477011 GJVWTRBVQMFNAB-LDADJPATSA-N 392.392 5.096 5 50 GKBA CC[C@@](C)(c1ccccc1)[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 3136883 SBZYRHILNUSTDD-UPVQGACJSA-N 389.451 5.861 5 50 GKBA O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nc2ccc([N+](=O)[O-])cc2s1 950161 DDMHYTQNMKKTQN-UHFFFAOYSA-N 383.216 5.155 5 50 GKBA Cc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)nc1-c1ccc(F)cc1 1135716 WCHHBJAWLOAJQT-UHFFFAOYSA-N 391.811 5.072 5 50 GKBA Cc1ccc(-c2csc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1 8968928 FKHSBRXTNBNCJS-WEVVVXLNSA-N 399.859 5.332 5 50 GKBA CCCCNc1nc2c(s1)c(=O)[nH]c1c2sc2nc(C(F)F)cc(C)c21 20607320 SINZIEYYAUHQIT-UHFFFAOYSA-N 394.472 5.206 5 50 GKBA CCc1ccccc1NC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1 1141291 UVDSJAYOZLWJQD-UHFFFAOYSA-N 396.830 5.855 5 50 GKBA Cc1cccc(OCc2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)c1C 4085081 QQGJEYLXLAFRLD-UHFFFAOYSA-N 399.899 6.595 5 50 GKBA CC1(C)Oc2ccc3c(c2O1)[C@@H]1CCCC[C@H]1O[C@H]3c1cccc([N+](=O)[O-])c1 245226364 TVXJXQLIRDPFDY-MDYRTPRTSA-N 381.428 5.248 5 50 GKBA O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N(Cc1ccccc1)Cc1ccccc1 755512 APJTVUBTWXKFSD-UHFFFAOYSA-N 380.831 5.091 5 50 GKBA O=C(Nc1ccc(Oc2cccc3cccnc23)cc1)c1cccc([N+](=O)[O-])c1 1161721 BPEFALIZRXIOIE-UHFFFAOYSA-N 385.379 5.188 5 50 GKBA Cc1ccc(COn2c(-c3ccc(Cl)cc3)nc3ccc([N+](=O)[O-])cc32)cc1 1389375 BCBYVCHAFOHBKM-UHFFFAOYSA-N 393.830 5.202 5 50 GKBA CCCCOc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 1791080 PWROSLXLGWZYFI-UHFFFAOYSA-N 397.456 5.150 5 50 GKBA Fc1ccccc1N1CCN(Cc2ccc3ccc4cccc5ccc2c3c45)CC1 23281397 BMGXHUKQYJZBEN-UHFFFAOYSA-N 394.493 6.045 5 50 GKBA CC(=O)Nc1ccc(OCc2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 1074615 PJBGQGLOVIKGCM-UHFFFAOYSA-N 394.452 5.283 5 50 GKBA O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1c1ccccc1-c1ccccc1 1214747 ATMGULPBCGXIQB-UHFFFAOYSA-N 394.386 5.216 5 50 GKBA O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 4990848 RVSRKVRRLXIRBT-UHFFFAOYSA-N 376.290 5.126 5 50 GKBA Cc1ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1Cl 4706902 RHFZSFBANZYRHN-UHFFFAOYSA-N 387.867 5.045 5 50 GKBA O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 4983744 IMEXSJLETYAELG-UHFFFAOYSA-N 399.450 5.019 5 50 GKBA O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)c1cccc([N+](=O)[O-])c1 824622 LPQOSLPJDYSROL-UHFFFAOYSA-N 393.786 5.309 5 50 GKBA O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1ccc([N+](=O)[O-])cc1Cl 2979482 RLLOCTDAKZDJJV-UHFFFAOYSA-N 393.786 5.309 5 50 GKBA COc1cc([N+](=O)[O-])ccc1NC(=O)Oc1ccc(-c2ccccc2)cc1Cl 4765217 QMHXHJPKZWNUTI-UHFFFAOYSA-N 398.802 5.535 5 50 GKBA COc1cc(SCc2ccccc2)cc([N+](=O)[O-])c1C(=O)Nc1ccccc1 1092768 DMLQVLPONXPCOQ-UHFFFAOYSA-N 394.452 5.148 5 50 GKBA O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1 1114018 YVNIIWNLJPYKMU-UHFFFAOYSA-N 394.858 5.200 5 50 GKBA Cc1cccc(NC(=O)c2ccc(COc3ccc([N+](=O)[O-])cc3)cc2)c1C 2769775 QYIXRNHQQVPSNX-UHFFFAOYSA-N 376.412 5.043 5 50 GKBA CCc1ccc(C2=NN3[C@H](c4cccc([N+](=O)[O-])c4)Oc4ccccc4[C@H]3C2)cc1 251986170 HLULPTFLWNOVDY-VWNXMTODSA-N 399.450 5.400 5 50 GKBA CCCc1sc(NC(=O)c2ccccc2[N+](=O)[O-])nc1-c1cc(C)ccc1C 877688 KSSYJJOZTGQLDS-UHFFFAOYSA-N 395.484 5.540 5 50 GKBA O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(Cl)c([N+](=O)[O-])c1 1051956 SZIJZDDUISMXDH-UHFFFAOYSA-N 379.121 5.173 5 50 GKBA CC(C)(C)c1ccc(-c2csc(NC(=O)c3ccccc3[N+](=O)[O-])n2)cc1 1116612 XWQTVEQRXZTSFP-UHFFFAOYSA-N 381.457 5.268 5 50 GKBA COc1ccc(NC(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)cc1 1386990 IKHYPSVVUGOSTA-UHFFFAOYSA-N 394.452 5.315 5 50 GKBA O=C(c1ccccc1)c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 1141259 ODMKOLKZGMQWPQ-UHFFFAOYSA-N 387.313 5.637 5 50 GKBA Cc1ccc(C)c(-c2cc(C(=O)Nc3ccccc3[N+](=O)[O-])c3ccccc3n2)c1 4646316 IRJHWVZBJVWLSC-UHFFFAOYSA-N 397.434 5.679 5 50 GKBA CCN(CC)c1ccc2nc3ccc(N(CC)CC)cc3[n+](-c3ccccc3)c2c1 5139511 DBWWAQYNBLAHNF-UHFFFAOYSA-N 399.562 5.357 5 50 GKBA O=C(Nc1nc2ccccc2s1)c1sc2cc([N+](=O)[O-])ccc2c1Cl 1055490 QXVALAXNIOWYJU-UHFFFAOYSA-N 389.845 5.325 5 50 GKBA Brc1ccc(-c2nc3ccc4ccccc4c3c3c2CCCC3)cc1 2963180 RWOFLLVJKOWPJS-UHFFFAOYSA-N 388.308 6.696 5 50 GKBA Cc1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 2114761 FGQXRILNIPUOGW-UHFFFAOYSA-N 383.231 5.008 5 50 GKBA N=c1oc2ccc3ccccc3c2cc1C(=O)Nc1ccc(Cl)c(Cl)c1 17078242 MGOJZAUQFVGHON-UHFFFAOYSA-N 383.234 5.625 5 50 GKBA O=[N+]([O-])c1cccc(-c2nc(Nc3cccc(Cl)c3)c3ccccc3n2)c1 1139221 SUDCVRBZTBVBMD-UHFFFAOYSA-N 376.803 5.602 5 50 GKBA O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 2836639 HUHXOCGMEXWOQU-UHFFFAOYSA-N 399.815 5.370 5 50 GKBA O=C(c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1)N1CCCCC1 1386939 QPMRPPGIOVFBES-UHFFFAOYSA-N 376.865 5.026 5 50 GKBA O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccc(Cl)cc1Cl 1508495 IMPLGHFIOHXLHJ-UHFFFAOYSA-N 394.239 5.277 5 50 GKBA COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 4524485 XYOXZOMYSJLXHO-FQEVSTJZSA-N 394.452 5.076 5 50 GKBA O=C(CCNc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 2519795 JELUAJCRVUSWBW-UHFFFAOYSA-N 380.831 5.600 5 50 GKBA O=[N+]([O-])c1ccc(O)c(-c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)[nH]2)c1 4494371 QVCFSHMSGHWNMH-UHFFFAOYSA-N 391.814 5.678 5 50 GKBA O=C(Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1cccc([N+](=O)[O-])c1 824699 LMGJSIBXLGGEEH-UHFFFAOYSA-N 393.786 5.309 5 50 GKBA O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1Cl 2977660 DRGZMXAEBZECCO-UHFFFAOYSA-N 379.121 5.173 5 50 GKBA CC(C)[N+](C)(CCOC(=O)[C@]12CCCc3cccc(c31)-c1ccccc12)C(C)C 95918216 NHRQICZEYUSVKV-SANMLTNESA-N 392.563 5.096 5 50 GKBA CCN1C(=O)c2c(cc(Oc3ccccc3)cc2[N+](=O)[O-])Oc2ccccc21 1071847 WCKXBSASDANPJE-UHFFFAOYSA-N 376.368 5.160 5 50 GKBA O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1Cl 756445 VCUCMSZCDZJXBQ-UHFFFAOYSA-N 379.121 5.173 5 50 GKBA Cc1ccc(Sc2ccc(COC(=O)c3cccs3)cc2[N+](=O)[O-])cc1 1405588 XNHSOPFGWZTOIT-UHFFFAOYSA-N 385.466 5.473 5 50 GKBA CC[C@@H](C)c1ccc(-c2csc(NC(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 670925 XFYKXVXXFZXCQS-CYBMUJFWSA-N 381.457 5.484 5 50 GKBA O=C(Nc1nc(-c2ccccc2Cl)cs1)c1ccc(Cl)cc1[N+](=O)[O-] 937384 NTDZSAXMVKTTSL-UHFFFAOYSA-N 394.239 5.277 5 50 GKBA CCCc1sc(NC(=O)c2cccc([N+](=O)[O-])c2)nc1-c1cc(C)ccc1C 1186659 ONYJTVVCADLAQW-UHFFFAOYSA-N 395.484 5.540 5 50 GKBA C[n+]1c2ccccc2c(-c2c3ccccc3[n+](C)c3ccccc23)c2ccccc21 4521424 FULGIHLPACFUCU-UHFFFAOYSA-N 386.498 5.615 5 50 GKBA in-vitro CCCc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)nc1-c1ccc(F)cc1 877707 VYPLSLWRVHPHBA-UHFFFAOYSA-N 385.420 5.062 5 50 GKBA Cc1ccc(Cl)cc1NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 4758031 GYWAZUNWDYXHTF-UHFFFAOYSA-N 395.846 5.421 5 50 GKBA Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccc([N+](=O)[O-])cc4)c3)oc2c1 1186613 OOASTMSTHRHOLC-UHFFFAOYSA-N 387.395 5.272 5 50 GKBA O=C(Nc1cc(C(F)(F)F)ccc1Cl)Nc1ccc(Cl)cc1[N+](=O)[O-] 4760452 AGARVCCQEZFBJW-UHFFFAOYSA-N 394.136 5.564 5 50 GKBA Cc1cccc(NC2=C[C@@H](c3cccc([N+](=O)[O-])c3)N(c3cccc(C)c3)C2=O)c1 100296976 WKGWUFWLNMEMJE-QHCPKHFHSA-N 399.450 5.296 5 50 GKBA O=C(Nc1ccc([N+](=O)[O-])cc1Cl)NC(c1ccccc1)c1ccccc1 4794269 MKNFSXWNRKFMBI-UHFFFAOYSA-N 381.819 5.159 5 50 GKBA O=[N+]([O-])c1ccc(-c2ccc(CN3CC=C(c4ccc(F)cc4)CC3)o2)cc1 4985552 OTXYHRGJOYBYSS-UHFFFAOYSA-N 378.403 5.283 5 50 GKBA O=[N+]([O-])c1cc([C@H]2Oc3ccccc3[C@H]3CC(c4ccco4)=NN32)ccc1Cl 25782094 RDGUKPMHFCXRJR-OXQOHEQNSA-N 395.802 5.084 5 50 GKBA O=[N+]([O-])c1ccc(-c2[nH]nc(-c3ccccc3)c2-c2nc3ccccc3[nH]2)cc1 758791 ZSPWCWGEUHAFIQ-UHFFFAOYSA-N 381.395 5.195 5 50 GKBA CCc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)cc1 1112909 STYDLIKCIHCIJO-UHFFFAOYSA-N 387.848 5.186 5 50 GKBA Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](Sc1ccccc1)c1ccccc1 669898 CKPQQFHSOGQYLA-HXUWFJFHSA-N 378.453 5.375 5 50 GKBA Cc1ccc(-c2cc(C(=O)OCc3ccc([N+](=O)[O-])cc3)c3ccccc3n2)cc1 1312683 HPLZTWGIYZGDOM-UHFFFAOYSA-N 398.418 5.475 5 50 GKBA O=C(CSc1ccccc1)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 1146296 CYSYDILOMAOEDX-UHFFFAOYSA-N 396.493 5.477 5 50 GKBA O=C(Nc1ccc(F)cc1)c1sccc1SCc1ccc([N+](=O)[O-])cc1 1393181 GOIMMLXYWQCATI-UHFFFAOYSA-N 388.445 5.340 5 50 GKBA COc1cc(-c2cc(C(=O)O)c3c(ccc4ccccc43)n2)c(Cl)cc1O 1183406 MRWZXZQDCLKUBZ-UHFFFAOYSA-N 379.799 5.121 5 50 GKBA Cc1ccc(Sc2c(-c3ccccc3)c3cc([N+](=O)[O-])ccc3[nH]c2=O)cc1 2240611 FCVSYXJGHGSBLG-UHFFFAOYSA-N 388.448 5.563 5 50 GKBA CCc1ccc(S[C@H](CC(=O)c2ccccc2)c2cccc([N+](=O)[O-])c2)s1 2464451 POKOBVWQNZPACH-HXUWFJFHSA-N 397.521 6.325 5 50 GKBA O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2cccc(Cl)c2Cl)o1 4689087 WJSASGKQECCVEY-UHFFFAOYSA-N 377.183 5.414 5 50 GKBA Cc1ccc2cccc(NC(=O)c3sc4c([N+](=O)[O-])cccc4c3Cl)c2n1 4842110 HMHLOERZDWYVFW-UHFFFAOYSA-N 397.843 5.572 5 50 GKBA COc1ccc([C@@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccccc2)cc1 1129734 IHTUQAMFBSZYBT-NRFANRHFSA-N 390.439 5.073 5 50 GKBA O=[N+]([O-])c1ccccc1/C=C/[C@@H]1c2sc(O)nc2S[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 329779337 SGYWDQXTPZOBCU-BRPWZYATSA-N 386.498 5.074 5 50 GKBA O=c1oc2cc(OCc3cccc(Br)c3)ccc2c2ccccc12 1154269 CHCZSZIYRUESIX-UHFFFAOYSA-N 381.225 5.288 5 50 GKBA O=C(C[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1CCCCCCC1=O)c1ccccc1 2546823 PQHNRMHHPWDMLM-RTWAWAEBSA-N 379.456 5.491 5 50 GKBA CCCCc1ccc(NC(=O)/C=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 5671672 NPCSSXMDFNDSPQ-FYWRMAATSA-N 390.439 5.849 5 50 GKBA COc1cc2c(cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl)oc1ccccc12 3567029 RJFVCLANKJNESR-UHFFFAOYSA-N 396.786 5.409 5 50 GKBA Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 4854117 XUZGJAQOUPUIFJ-FYYLOGMGSA-N 385.423 5.146 5 50 GKBA O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cc([N+](=O)[O-])ccc1Cl 1204072 UNJMPTSTBHSHCU-UHFFFAOYSA-N 392.802 5.044 5 50 GKBA O=C(C[C@@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CCCCCCC1=O)c1ccccc1 4531619 PQHNRMHHPWDMLM-SFTDATJTSA-N 379.456 5.491 5 50 GKBA Cc1ccc(C2(c3ccc(C)cc3)C[C@H]2C(=O)Nc2ccccc2[N+](=O)[O-])cc1 4595377 DNIXNNDPVNXPJK-FQEVSTJZSA-N 386.451 5.156 5 50 GKBA c1cncc(-c2cc(-c3ccc4ccccc4n3)c3c(ccc4ccccc43)n2)c1 4982086 OWDJLOZWFKVAIG-UHFFFAOYSA-N 383.454 6.665 5 50 GKBA C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(Br)[N+](=O)[O-] 25543259 JONDYXQWDHVHOG-IZGRHMBUSA-N 384.358 5.787 5 50 GKBA O=C(Oc1cc(Cl)cc([N+](=O)[O-])c1OCc1ccccc1)c1ccccc1 43827661 QUIUWTKZBFJJMP-UHFFFAOYSA-N 383.787 5.046 5 50 GKBA c1cnc2c(c1)ccc1c(N[C@H]3CCC[C@@H](c4nc5ccccc5[nH]4)C3)ccnc12 2325876256 OTOYRGXJHQSCAV-MSOLQXFVSA-N 393.494 5.798 5 50 GKBA O=[N+]([O-])c1ccccc1/C=C/[C@@H]1c2sc(O)nc2S[C@H]2[C@H]3CC[C@@H](C3)[C@@H]12 329779350 SGYWDQXTPZOBCU-NGVQLPQZSA-N 386.498 5.074 5 50 GKBA Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCCC2)cc1Cl 4872257 YPBCDHQAEWBFQL-UHFFFAOYSA-N 387.867 5.189 5 50 GKBA O=[N+]([O-])c1cccc(-c2nc(=S)c3c(n2Cc2ccccc2)CCCC3)c1 1145636 YKIGIHHTRMIKDX-UHFFFAOYSA-N 377.469 5.115 5 50 GKBA O=[N+]([O-])c1ccccc1-c1cc(-c2ccccc2)c2c(ccc3ccccc32)n1 2963171 OADVVOQFUZSVBE-UHFFFAOYSA-N 376.415 6.630 5 50 GKBA CCCc1sc(NC(=O)c2ccccc2[N+](=O)[O-])nc1-c1ccc(F)cc1 877672 CCTMKPZYRGBBEH-UHFFFAOYSA-N 385.420 5.062 5 50 GKBA CCOc1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 1161341 QUHYWFGPMOEMML-CJLVFECKSA-N 388.423 5.173 5 50 GKBA C/C=C/c1ccc(OCCCCOc2ccc([N+](=O)[O-])cc2Cl)c(OC)c1 2985533 CJJWSRNORSYHJM-ZZXKWVIFSA-N 391.851 5.528 5 50 GKBA CCc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 5674329 NABSXXZLUXIJIQ-LADGPHEKSA-N 399.450 5.400 5 50 GKBA Cc1c(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cccc1[N+](=O)[O-] 1170179 GNMJFAHKJBRZAM-UHFFFAOYSA-N 389.436 5.432 5 50 GKBA Cc1ccc2oc(-c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4C)cc3)nc2c1 1205541 LPDFGDJNOXRXGK-UHFFFAOYSA-N 387.395 5.272 5 50 GKBA COc1ccc(CC[C@@H](C)N[C@@H]2CCCc3c2[nH]c2ccc([N+](=O)[O-])cc32)cc1 5032183 FUBRJUCORPVRQH-IVZQSRNASA-N 393.487 5.073 5 50 GKBA C[C@@H](Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(Cl)c1)c1ccccc1 5064069 GHYDZEKAXBQMKP-CQSZACIVSA-N 395.846 5.674 5 50 GKBA CCc1ccc(NC(=O)c2ccccc2Sc2ccc([N+](=O)[O-])cc2)cc1 1122395 ICZJYVKYDMFFMH-UHFFFAOYSA-N 378.453 5.561 5 50 GKBA C[C@@H](Sc1nnc(-c2cccc3ccccc23)o1)c1cccc([N+](=O)[O-])c1 170638501 PGLXWACHQNJURB-CYBMUJFWSA-N 377.425 5.651 5 50 GKBA Cc1ccc(NC(=O)N(Cc2ccccc2)Cc2ccccc2)c([N+](=O)[O-])c1 4799916 QUCONQGNAWGIHV-UHFFFAOYSA-N 375.428 5.138 5 50 GKBA O=[N+]([O-])c1ccc(N2CCc3sccc3[C@H]2c2ccc(Cl)cc2)c(F)c1 888099475 LXCCQXPGMNKRNG-LJQANCHMSA-N 388.851 5.601 5 50 GKBA Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 647346 FFGLRXUFURGDQJ-UHFFFAOYSA-N 389.436 5.432 5 50 GKBA Cc1c(Cl)cccc1NC(=O)c1sccc1Oc1ccccc1[N+](=O)[O-] 3125661 FGFBMVXKYWCBQI-UHFFFAOYSA-N 388.832 5.663 5 50 GKBA Cc1c(OCc2ccc(Cl)cc2Cl)ccc2c1oc(=O)c1ccccc12 3214479 RLSFZIJMKPQSMH-UHFFFAOYSA-N 385.246 6.140 5 50 GKBA Cc1ccc2ccccc2c1CSc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1 1175043 LJZVJJURTBYEAD-UHFFFAOYSA-N 375.453 5.739 5 50 GKBA COc1ccc(NC(=O)c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)cc1 1387001 FXRYSLCGHFZIHK-UHFFFAOYSA-N 380.425 5.007 5 50 GKBA O=C(Nc1ncc(Cc2cccc([N+](=O)[O-])c2)s1)c1cccc2ccccc12 872908 NGPKPRTYFFGZPM-UHFFFAOYSA-N 389.436 5.048 5 50 GKBA Cc1ccc2c(c1)[C@H](c1ccccc1)C[C@H](C)N2C(=O)c1ccc([N+](=O)[O-])cc1 1146014 ZWVZVYMFFYLSKH-UWJYYQICSA-N 386.451 5.474 5 50 GKBA Cc1cccc(-c2nc3cc(NC(=O)c4cccc([N+](=O)[O-])c4C)ccc3o2)c1 2979091 BUPDKZHVZGILSM-UHFFFAOYSA-N 387.395 5.272 5 50 GKBA Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc([N+](=O)[O-])o4)c3)nc2c1 830415 BBYGITMWHWETCU-UHFFFAOYSA-N 397.774 5.210 5 50 GKBA Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 4725253 AQHXKUIRIAYGMT-UHFFFAOYSA-N 398.422 5.008 5 50 GKBA COc1ccc(-n2c(-c3ccc([N+](=O)[O-])cc3)nc(=S)c3c2CCCC3)cc1 1153160 UPOBUORLQAASAW-UHFFFAOYSA-N 393.468 5.064 5 50 GKBA O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2)nc2ccccc12 1154049 ICFIQNCSNBENIH-UHFFFAOYSA-N 384.391 5.167 5 50 GKBA Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)cc1 2877895 SJQJHAGQJKHUSY-UHFFFAOYSA-N 398.871 5.960 5 50 GKBA Cc1ccc(C)c(C2=NN3[C@H](c4cccc([N+](=O)[O-])c4)Oc4ccccc4[C@H]3C2)c1 245241692 MYVJPTQHKVKORN-VWNXMTODSA-N 399.450 5.454 5 50 GKBA CCC(=O)c1ccc(OC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 1161348 OIPMLHSZSLSPCQ-UHFFFAOYSA-N 391.379 5.199 5 50 GKBA COc1cc2c(cc1OC)CN(Cc1c3ccccc3cc3ccccc13)CC2 4988961 NVWJHNUBASNECN-UHFFFAOYSA-N 383.491 5.569 5 50 GKBA O=[N+]([O-])c1ccccc1/C=C/[C@@H]1c2sc(O)nc2S[C@H]2[C@H]3CC[C@@H](C3)[C@H]12 329779351 SGYWDQXTPZOBCU-ZLBWWQAVSA-N 386.498 5.074 5 50 GKBA O=c1c2c3c(sc2nc2c4c5c(sc4ncn12)CCCCC5)CCCCC3 1803409 RRMRUYARVSZUAV-UHFFFAOYSA-N 395.553 5.057 5 50 GKBA CCCCCC1CCC(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1 4092463 PDLCNRPLXIPNJJ-UHFFFAOYSA-N 394.515 6.701 5 50 GKBA C[C@H]1Oc2cc([N+](=O)[O-])cc3c2C1=Cc1ccc(OCc2ccccc2)cc1O3 4770044 ODTXRUBNFOBZJY-CQSZACIVSA-N 387.391 5.601 5 50 GKBA O=[N+]([O-])c1ccc(Nc2ncnc3scc(-c4ccc(Cl)cc4)c23)cc1 4116668 MAEBMSQHNQYCPM-UHFFFAOYSA-N 382.832 5.664 5 50 GKBA Cc1cccc(N2CCN(Cc3c4ccccc4cc4ccccc34)CC2)c1C 19634353 WLJYNBJPEWEZEH-UHFFFAOYSA-N 380.535 5.932 5 50 GKBA Cc1c(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)cccc1[N+](=O)[O-] 1180700 QNVAEBCXLFQHHV-FQEVSTJZSA-N 378.453 5.375 5 50 GKBA aggregator O=[N+]([O-])c1ccc(CN2c3ccccc3C3=C(CCCC3)C23CCCCC3)cc1 2066113 BEMWUHJBOQIDAA-UHFFFAOYSA-N 388.511 6.646 5 50 GKBA O=C1Nc2ccccc2Oc2cc([N+](=O)[O-])cc(Oc3cccc(Cl)c3)c21 2513597 LUHFJQSPCQFIAZ-UHFFFAOYSA-N 382.759 5.399 5 50 GKBA C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccccc1[N+](=O)[O-] 849828 LDONLUZOKCSXAX-OXJNMPFZSA-N 387.439 5.187 5 50 GKBA COc1cc(C(c2ccc(C)s2)c2ccc(C)s2)c([N+](=O)[O-])cc1OC 3846769 CQJUJRHMBJHYIC-UHFFFAOYSA-N 389.498 5.532 5 50 GKBA biogenic C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 1067039 AQOSCTLRFSOQFS-OAHLLOKOSA-N 394.452 5.152 5 50 GKBA CN(Cc1ccccc1)C(=O)c1cccc(Oc2c(Cl)cccc2[N+](=O)[O-])c1 4833220 OXDRZJWUXKGJND-UHFFFAOYSA-N 396.830 5.313 5 50 GKBA CC1=C[C@H](C)[C@H]([C@@H]2OC[C@H](C[N+]3(Cc4ccccc4)CCCCC3)O2)[C@@H](C)C1 5358235 PORVWFSZEHIALM-RSPHESMNSA-N 384.584 5.167 5 50 GKBA Clc1ccc(N2CCN(Cc3c4ccccc4cc4ccccc34)CC2)cc1 19633883 KACAFZHBWXVXFU-UHFFFAOYSA-N 386.926 5.969 5 50 GKBA O=c1c2cccc3cccc(c32)c2nc3cc4c5c(cccc5c3n12)-c1ccccc1-4 3833666 BQDAWPHBGRLNJL-UHFFFAOYSA-N 394.433 6.393 5 50 GKBA CN(C)c1ccc(Nc2nc(-c3ccc([N+](=O)[O-])cc3)nc3ccccc23)cc1 9087322 UIAXLBWYDRXONS-UHFFFAOYSA-N 385.427 5.015 5 50 GKBA CCOc1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1[N+](=O)[O-] 675430 AGNINZGFVUSENP-UHFFFAOYSA-N 375.837 5.514 5 50 GKBA Cc1ccc(C2(c3ccc(C)cc3)C[C@H]2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 4005834 OVGVMHGZEZDVJK-QFIPXVFZSA-N 386.451 5.156 5 50 GKBA Cc1cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1[N+](=O)[O-] 1217281 QQPDVXAEROYOJZ-UHFFFAOYSA-N 392.255 5.193 5 50 GKBA O=C(Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1C(F)(F)F 4841614 MNUVXRMFSQYUHE-UHFFFAOYSA-N 386.329 5.533 5 50 GKBA O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc(-c2cc(Cl)ccc2Cl)o1 1180234 KIUTXOCQRXNQER-UHFFFAOYSA-N 395.173 5.553 5 50 GKBA O=C1Nc2ccccc2Oc2cc([N+](=O)[O-])cc(Oc3ccccc3Cl)c21 2513596 XPJYEDQXRJNECY-UHFFFAOYSA-N 382.759 5.399 5 50 GKBA Cc1ccc(-c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3C)c3ccccc3n2)o1 2867597 NEHNMJRPVWJKNY-UHFFFAOYSA-N 387.395 5.272 5 50 GKBA CC1=C[C@H](C)[C@H]([C@@H]2OC[C@H](C[N+]3(Cc4ccccc4)CCCCC3)O2)[C@H](C)C1 5355287 PORVWFSZEHIALM-PZNJWVMQSA-N 384.584 5.167 5 50 GKBA Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 15723793 WHFFAQATGUZLQU-ZRDIBKRKSA-N 399.406 5.363 5 50 GKBA CCOc1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 1111378 ADORZNBCGDMYRU-UHFFFAOYSA-N 386.791 5.159 5 50 GKBA Cc1c(C(=O)Nc2nc(-c3cccc4ccccc34)cs2)cccc1[N+](=O)[O-] 668473 CVWOJZIXWYSNRZ-UHFFFAOYSA-N 389.436 5.432 5 50 GKBA Cc1cc(Br)c(OC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1C 4793226 VEMMFQPYSALWOT-UHFFFAOYSA-N 399.628 5.238 5 50 GKBA CC(=O)c1ccccc1OCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1 1140858 JLEVATTXAROOGB-UHFFFAOYSA-N 397.814 5.822 5 50 GKBA CCCOc1ccccc1-c1cc(-c2cccnc2)c2c(ccc3ccccc32)n1 4689913 ZVKOGOKKAXPKBO-UHFFFAOYSA-N 390.486 6.906 5 50 GKBA Cc1ccc(C2(c3ccc(C)cc3)C[C@@H]2C(=O)Nc2ccccc2[N+](=O)[O-])cc1 4595375 DNIXNNDPVNXPJK-HXUWFJFHSA-N 386.451 5.156 5 50 GKBA Cc1c(NC(=O)c2ccccc2[N+](=O)[O-])cccc1-c1nc2ccccc2s1 1204011 QGNRMPNWICSGJV-UHFFFAOYSA-N 389.436 5.432 5 50 GKBA O=C(Nc1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccco1 979461 XLYQXCKONVDSLU-UHFFFAOYSA-N 391.408 5.231 5 50 GKBA O=C(c1ccccc1Sc1c(Cl)cccc1[N+](=O)[O-])N1CCCCC1 1099266 JDLZXBMFZFAPSZ-UHFFFAOYSA-N 376.865 5.026 5 50 GKBA Cc1c(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cccc1[N+](=O)[O-] 1218151 XCLIDGWCUQZTLV-UHFFFAOYSA-N 383.407 5.371 5 50 GKBA CC(=O)c1ccc(Oc2ccc(-c3cnc4ccccc4n3)cc2[N+](=O)[O-])cc1 1109201 KRMJGUIELNHLDM-UHFFFAOYSA-N 385.379 5.200 5 50 GKBA CCCCOc1c(Cl)cc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1Cl 5041318 MJPYSQTZJPOJHX-UHFFFAOYSA-N 383.231 5.333 5 50 GKBA Cc1cccc(NC2=C[C@H](c3ccccc3[N+](=O)[O-])N(c3cccc(C)c3)C2=O)c1 100645245 CQCOTKVHDJKQIQ-HSZRJFAPSA-N 399.450 5.296 5 50 GKBA Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1cccc([N+](=O)[O-])c1C 2980873 GWOOBYNTLQYLIJ-UHFFFAOYSA-N 387.395 5.272 5 50 GKBA O=C(O[C@H](C(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccccc1[N+](=O)[O-] 1121231 ANRVFWLUCOJJTN-FQEVSTJZSA-N 395.798 5.029 5 50 GKBA Cc1ccc(NC(=O)Oc2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])c1 4799729 GGXQIMLTVPENLH-UHFFFAOYSA-N 378.384 5.093 5 50 GKBA O=[N+]([O-])c1cc(-c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc(C(F)(F)F)c1 65336856 NHEDTONHCGHJCX-UHFFFAOYSA-N 380.200 5.208 5 50 GKBA in-vitro C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@]2(Br)[N+](=O)[O-] 5276443 JONDYXQWDHVHOG-FUIGDMOMSA-N 384.358 5.787 5 50 GKBA CCCCCCC1=NN2[C@@H](C1)c1ccccc1O[C@H]2c1ccc([N+](=O)[O-])cc1 248205126 ZQZNCMLBAWQKCZ-UNMCSNQZSA-N 379.460 5.759 5 50 GKBA O=C(Nc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 4014320 AVOJYMPBYYTJMU-UHFFFAOYSA-N 381.819 5.113 5 50 GKBA Cc1c(OCc2ccc(Cl)c(Cl)c2)ccc2c1oc(=O)c1ccccc12 1797667 SCLIOFFKWOYBGU-UHFFFAOYSA-N 385.246 6.140 5 50 GKBA Cc1ccc(C)c(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])c1 1117874 FDLAXOCAXVHXQD-UHFFFAOYSA-N 378.453 5.615 5 50 GKBA O=C(CC12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2)Nc1ccccc1[N+](=O)[O-] 18165893 DECMOPXKWHOEAY-ISVJADKWSA-N 390.483 5.462 5 50 GKBA CC1=NC(=O)/C(=C\c2c3ccccc3cc3ccccc23)N(C)N1c1ccccc1 5500776 HTKYIXHDTLRBNW-KOEQRZSOSA-N 391.474 5.646 5 50 GKBA O=C(Nc1cc(Cl)ccc1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 4811097 BKMGFYQSDXBQIM-UHFFFAOYSA-N 382.803 5.080 5 50 GKBA COc1cc(OC)c(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1OC 1194955 GERGMMGHSRNTOG-UHFFFAOYSA-N 384.435 5.562 5 50 GKBA Cc1ccc(Sc2ccc([N+](=O)[O-])cc2COC(=O)c2cccs2)cc1 1000118 PNSUURPFYCHDAV-UHFFFAOYSA-N 385.466 5.473 5 50 GKBA O=[N+]([O-])c1ccc(/C=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)o1 1196548 MXHDEJZYDPEKCO-DHZHZOJOSA-N 391.814 5.864 5 50 GKBA COc1ccc(-c2nc3ccccc3s2)cc1COc1ccc([N+](=O)[O-])cc1 2315449 PMRJDBOLUGHBOB-UHFFFAOYSA-N 392.436 5.459 5 50 GKBA CC1(C)Oc2ccc3c(c2O1)[C@@H]1CCCC[C@H]1O[C@H]3c1ccc([N+](=O)[O-])cc1 245225927 AAANQPDAZZHISZ-MDYRTPRTSA-N 381.428 5.248 5 50 GKBA O=[N+]([O-])c1cccc(-c2noc(-c3cc(-c4ccccc4)nc4ccccc34)n2)c1 1159262 VVRNUBMGCKDNOV-UHFFFAOYSA-N 394.390 5.527 5 50 GKBA COc1ccccc1NC(=O)c1ccccc1Sc1ccc([N+](=O)[O-])cc1 1145948 JKNUDHUHXMELIJ-UHFFFAOYSA-N 380.425 5.007 5 50 GKBA O=[N+]([O-])c1ccc([C@@H]2CC(c3ccc(Cl)cc3)=Nc3ccccc3N2)cc1 865035 PYYXCLQARLIQEP-NRFANRHFSA-N 377.831 5.926 5 50 GKBA O=C(C[C@H](Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1)c1ccccc1 2869959 XMBSENIGKOWDQL-FQEVSTJZSA-N 380.831 5.674 5 50 GKBA CCOc1ccc(-c2cc(-c3cccnc3)c3c(ccc4ccccc43)n2)cc1 2991097 HSQBNTQDRMLAAY-UHFFFAOYSA-N 376.459 6.516 5 50 GKBA Cc1ccc(-c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)c3ccccc3n2)o1 1200302 KQBZECGZAGQKBD-UHFFFAOYSA-N 387.395 5.272 5 50 GKBA CCCCCC1CCC(c2nnc(SCc3ccc([N+](=O)[O-])cc3)o2)CC1 4036524 HNYXMOPSBNUPHW-UHFFFAOYSA-N 389.521 6.124 5 50 GKBA Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccccc1[N+](=O)[O-] 4592672 TUEFTJZEENNHJQ-UHFFFAOYSA-N 389.436 5.432 5 50 GKBA O=C(Nc1cc(Cl)ccc1OCc1ccccc1)c1cccc([N+](=O)[O-])c1 4821232 PLCGXSKQDKEMKO-UHFFFAOYSA-N 382.803 5.080 5 50 GKBA Cc1ccc(NC(=O)CCSc2c(Cl)cccc2[N+](=O)[O-])cc1Cl 1115674 FGELIJIZGCIDGL-UHFFFAOYSA-N 385.272 5.331 5 50 GKBA O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc([N+](=O)[O-])cc1Cl 756422 CHFIHYHAOBAPJD-UHFFFAOYSA-N 379.121 5.173 5 50 GKBA COc1ccc(NC(=O)c2sc3cc(C)ccc3c2Cl)c([N+](=O)[O-])c1 4612053 SCHFTTIPANJWOK-UHFFFAOYSA-N 376.821 5.032 5 50 GKBA Cc1cc(N2CCC[C@@]2(C)Cc2ccc(C(F)F)cc2)c([N+](=O)[O-])cc1F 2325830077 ZVGDZGFEKGMBGE-FQEVSTJZSA-N 378.394 5.582 5 50 GKBA Cc1cccc(-n2c(-c3cccc([N+](=O)[O-])c3)nc(=S)c3c2CCCC3)c1 1109143 YJYFZTLPIVOOLQ-UHFFFAOYSA-N 377.469 5.364 5 50 GKBA O=C(Nc1cccc(Cl)c1Cl)c1ccc(-c2ccccc2[N+](=O)[O-])o1 1185501 GDNHFWCHBBVHMX-UHFFFAOYSA-N 377.183 5.414 5 50 GKBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(-c2ccccc2)nc2ccccc12 1188952 DFURWJPYTBHDGT-UHFFFAOYSA-N 399.406 5.071 5 50 GKBA O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cc(-c2ccccc2)nc2ccccc12 851748 FRXLVWKMQUIOJR-UHFFFAOYSA-N 387.370 5.201 5 50 GKBA Cc1ccc(Oc2cc([N+](=O)[O-])cc3c2C(=O)Nc2cc(Cl)ccc2O3)cc1 3621052 PBVCWJWIDVUHDZ-UHFFFAOYSA-N 396.786 5.707 5 50 GKBA CCOC(=O)c1cnc2c(ccc3ccccc32)c1Nc1ccc(NC(C)=O)cc1 952238 GJRAPDOKZYISRP-UHFFFAOYSA-N 399.450 5.267 5 50 GKBA O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 1220731 ITHRNQWEMWNKQI-UHFFFAOYSA-N 377.183 5.414 5 50 GKBA Cc1ccc(NC(=O)c2ccc(Oc3c(Cl)cccc3[N+](=O)[O-])cc2)c(C)c1 2881618 KQNLLUIRZULQRE-UHFFFAOYSA-N 396.830 5.910 5 50 GKBA CCOc1ccc2nc(SCc3c(Cl)cccc3[N+](=O)[O-])sc2c1 2997967 DCHYKGSTLTZXEC-UHFFFAOYSA-N 380.878 5.549 5 50 GKBA O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](Sc1ccccc1)c1ccccc1 4426489 VUUWFLRQLPBVRS-IBGZPJMESA-N 398.871 5.720 5 50 GKBA CCCCCCC1=NN2[C@@H](C1)c1ccccc1O[C@@H]2c1ccc([N+](=O)[O-])cc1 5711675 ZQZNCMLBAWQKCZ-RBBKRZOGSA-N 379.460 5.759 5 50 GKBA Cc1ccc(C)c(C2=NN3[C@H](c4ccc([N+](=O)[O-])cc4)Oc4ccccc4[C@H]3C2)c1 245242054 YAZFJXYMBOTMGI-VWNXMTODSA-N 399.450 5.454 5 50 GKBA Cc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)c(C)c1 682607 GSVGSHLQEFNXMG-UHFFFAOYSA-N 387.848 5.241 5 50 GKBA Brc1cccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 6996023 ULIBXNPRDWVUHB-UHFFFAOYSA-N 375.229 5.089 5 50 GKBA O=C(Nc1ccc(Oc2ccc3ccccc3c2)cc1)c1ccc([N+](=O)[O-])cc1 1151324 JEQWSEHDZDDIEW-UHFFFAOYSA-N 384.391 5.793 5 50 GKBA Cc1ccc(C2=NN3[C@H](c4cccc([N+](=O)[O-])c4)Oc4ccccc4[C@H]3C2)cc1 36352140 XUZGJAQOUPUIFJ-GGAORHGYSA-N 385.423 5.146 5 50 GKBA CCN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@H](C)c1cc2ccccc2o1 170591935 LBIXUNVSTFBXMG-CYBMUJFWSA-N 377.400 5.046 5 50 GKBA CC(=O)c1cccc(OC(=O)c2ccccc2Sc2ccc([N+](=O)[O-])cc2)c1 1146636 DYSYFLMQQUMHMF-UHFFFAOYSA-N 393.420 5.168 5 50 GKBA Cc1ccccc1NC(=O)c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 4050028 OKRDDYXVNWQLBJ-UHFFFAOYSA-N 398.871 5.960 5 50 GKBA CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1C[C@@H]1OC[C@@H](C[N+]2(Cc3ccccc3)CCCCC2)O1 100098065 FPLFYPVTBGXHRG-ARXROMJUSA-N 398.611 5.391 5 50 GKBA O=[N+]([O-])c1ccc(-c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)o2)cc1 1440372 QNTFZYDDGXVCTB-UHFFFAOYSA-N 397.843 6.375 5 50 GKBA Cc1cccc(N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccc3ccccc3c2)c1 704461 SBNUCLABDUTAGD-UHFFFAOYSA-N 382.419 6.035 5 50 GKBA Cc1c(C(=O)Nc2ccc3oc(-c4ccc(F)cc4)nc3c2)cccc1[N+](=O)[O-] 2980908 SPRPCIGPYIYXRO-UHFFFAOYSA-N 391.358 5.103 5 50 GKBA Cc1ccc(-c2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)o2)cc1Cl 5102993 LQBJFVHIUHFPCO-UHFFFAOYSA-N 391.210 5.722 5 50 GKBA O=C(O)c1cc(/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)nc2ccccc12 5234228 VKFORUYADQLTEV-JXMROGBWSA-N 386.363 5.272 5 50 GKBA CCc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)nc1-c1ccccc1 1128977 YAGHFICNVRBKMO-UHFFFAOYSA-N 387.848 5.186 5 50 GKBA Cc1ccc(-c2cc(C(=O)Nc3ccccc3[N+](=O)[O-])c3ccccc3n2)c(C)c1 4611581 XYWZSHOHJQQBRI-UHFFFAOYSA-N 397.434 5.679 5 50 GKBA Cc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccco2)cc1 1057981 ORJVPIWDXJLYNJ-UHFFFAOYSA-N 392.440 5.036 5 50 GKBA O=C(Nc1ccc(F)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1 1127732 RKGJKTXZTMHMEM-UHFFFAOYSA-N 386.766 5.432 5 50 GKBA CN1c2ccccc2C(C)(C)[C@@]12C=Nc1c(c3ccccc3c3ccccc13)O2 2170287 JTRRHUVYCPAWOM-SANMLTNESA-N 378.475 6.212 5 50 GKBA C(CCC[N+]1(CC2CCCC2)CCCC1)CC[N+]1(CC2CCCC2)CCCC1 951723478 RIPKVFWPEITGMK-UHFFFAOYSA-N 390.700 6.148 5 50 GKBA C[C@H](Sc1nnc(-c2cccc3ccccc23)o1)c1cccc([N+](=O)[O-])c1 170638499 PGLXWACHQNJURB-ZDUSSCGKSA-N 377.425 5.651 5 50 GKBA CC(C)(C[N+](C)(C)Cc1ccccc1)[C@@H]1O[C@@H]2CCCC[C@@H]2[C@H]2C=CCC[C@H]21 253389767 ABSHAPYWJDXNFP-FXEFVXDJSA-N 382.612 5.829 5 50 GKBA biogenic O=C(Nc1ccc(-c2nc3c(ccc4ccccc43)o2)cc1)c1ccc([N+](=O)[O-])o1 2867203 HBKJTTOOIYBWRC-UHFFFAOYSA-N 399.362 5.402 5 50 GKBA O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@@H](Sc1ccccc1)c1ccccc1 1179957 LOMFSNXLUXYONN-IBGZPJMESA-N 382.416 5.206 5 50 GKBA O=C(c1ccccc1Sc1ccc([N+](=O)[O-])cc1Cl)N1CCCCC1 1127695 KRSOPZIGWPOYDY-UHFFFAOYSA-N 376.865 5.026 5 50 GKBA COc1cccc(-c2cc(C(=O)Nc3ccccc3[N+](=O)[O-])c3ccccc3n2)c1 4611710 VDLAIWISRYVGCK-UHFFFAOYSA-N 399.406 5.071 5 50 GKBA O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc2c3c(cccc13)CC2 1164588 DCBSELHWTKVCTE-VZUCSPMQSA-N 378.815 5.152 5 50 GKBA CC[C@](C)(c1ccccc1)[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 3136882 SBZYRHILNUSTDD-ISKFKSNPSA-N 389.451 5.861 5 50 GKBA C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1 752631 XMYMRMCDWWHWTA-IIBYNOLFSA-N 387.439 5.187 5 50 GKBA COc1ccc(NC(=O)c2ccccc2Sc2ccc([N+](=O)[O-])cc2)cc1 3274003 XFVCCLKVEYUKLI-UHFFFAOYSA-N 380.425 5.007 5 50 GKBA COc1ccc(NC(=O)c2cc3ccc4c5ccccc5[nH]c4c3cc2O)cc1 4720972 HRNSEOMPRWUKQL-UHFFFAOYSA-N 382.419 5.441 5 50 GKBA CC/N=c1/sc2c3ccccc3c3ccccc3c2n1-c1ccc(Cl)cc1 102300733 AFHLJPUVBZGNSD-WJTDDFOZSA-N 388.923 6.572 5 50 GKBA O=C(OCc1ccc(Cl)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 1165272 QIFISPUYBUNJEK-UHFFFAOYSA-N 383.787 5.398 5 50 GKBA Cc1ccc(C(=O)Nc2ccc(CSc3ccccc3)cc2)cc1[N+](=O)[O-] 1165988 DXAULNUIWVJDPK-UHFFFAOYSA-N 378.453 5.448 5 50 GKBA Cc1cc(C(C)(C)C)ccc1SC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 1753331 FZPIJFNFUZEFEW-UHFFFAOYSA-N 378.881 6.178 5 50 GKBA COc1cc2c(cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)oc1ccccc12 4704983 YXWRIGOLKKKXRU-UHFFFAOYSA-N 396.786 5.409 5 50 GKBA CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 2325867220 OQLLNCZDDVFKDZ-UHFFFAOYSA-N 398.459 5.255 5 50 GKBA CCc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 5674331 HLULPTFLWNOVDY-LADGPHEKSA-N 399.450 5.400 5 50 GKBA Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(-c2cccs2)nc2ccccc12 4902015 KLDJEIAUBRBROH-UHFFFAOYSA-N 389.436 5.432 5 50 GKBA Brc1ccc2[nH]c3c4ccccc4c(Br)cc3c2c1 1875251731 HFXZKYFYINDGKQ-UHFFFAOYSA-N 375.063 5.999 5 50 GKBA CC(=O)c1cccc(OCc2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 3105008 GJDPAPODPVQJQO-UHFFFAOYSA-N 379.437 5.528 5 50 GKBA Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)o1 1173802 NCXHAFWARNOBOZ-UHFFFAOYSA-N 391.210 5.722 5 50 GKBA COc1cccc(C(=O)Nc2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 1199789 UKBTVXKLGWXMIG-UHFFFAOYSA-N 380.425 5.007 5 50 GKBA COc1ccc(CC[C@@H](C)N[C@H]2CCCc3c2[nH]c2ccc([N+](=O)[O-])cc32)cc1 5032188 FUBRJUCORPVRQH-QRQCRPRQSA-N 393.487 5.073 5 50 GKBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc(-c2nc3ccccc3o2)c1 1180383 KTSHTAFVNYNKCZ-VAWYXSNFSA-N 385.379 5.055 5 50 GKBA C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccccc1[N+](=O)[O-] 849830 LDONLUZOKCSXAX-JXFKEZNVSA-N 387.439 5.187 5 50 GKBA O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 4658853 OJIGACYBHMTUOD-UHFFFAOYSA-N 377.183 5.414 5 50 GKBA O=[N+]([O-])c1ccc(-c2cs/c(=N\c3ccccc3)n2Cc2ccccc2)cc1 15636881 GWNHRTQSJHQTOT-FCQUAONHSA-N 387.464 5.406 5 50 GKBA c1cncc([C@@H]2CCCCN2Cc2ccc3ccc4cccc5ccc2c3c45)c1 2907820 VHIFEWYCVPWPSJ-VWLOTQADSA-N 376.503 6.706 5 50 GKBA O=C1[C@@H](c2ccccc2)c2c(c3ccccc3c3ccccc23)[C@@H]1c1ccccc1 3051835 AGWYEPSKPQEXTK-UIOOFZCWSA-N 384.478 6.840 5 50 GKBA O=C(Nc1ccccc1Sc1ccccc1)c1ccc(Cl)cc1[N+](=O)[O-] 1062311 CYWLECZYSLGDIC-UHFFFAOYSA-N 384.844 5.652 5 50 GKBA Cn1ncc2c(-c3ccc(-c4ccccc4)o3)c3oc4cc(O)cc(O)c4c3nc21 409415593 RENMFYLKMMYAHC-UHFFFAOYSA-N 397.390 5.206 5 50 GKBA biogenic O=C(c1ccc(Cl)cc1[N+](=O)[O-])N(Cc1ccccc1)Cc1ccccc1 1217727 NAUKFAQOBSILGU-UHFFFAOYSA-N 380.831 5.091 5 50 GKBA Cc1cc(C(=O)Nc2ccc(Cl)c(C(=O)c3ccccc3)c2)ccc1[N+](=O)[O-] 1188561 VSZYNNZOJXYZCF-UHFFFAOYSA-N 394.814 5.040 5 50 GKBA Cc1c(OCc2cc3c(cc2Cl)OCO3)ccc2c1oc(=O)c1ccccc12 2994256 HCGAXBBGJWSKDQ-UHFFFAOYSA-N 394.810 5.216 5 50 GKBA CCOc1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 4892901 ZPYTWBZWKAKWRW-UHFFFAOYSA-N 390.439 5.154 5 50 GKBA O=C(Oc1ccc2c(c1)oc(=O)c1ccccc12)c1ccc(Cl)cc1Cl 1146617 DHXIFSRPKZIRMQ-UHFFFAOYSA-N 385.202 5.472 5 50 GKBA CC1(C)CC(=O)c2c(nn(-c3ccccc3Cl)c2-c2ccc([N+](=O)[O-])cc2)C1 2080384045 PFBWGMKPQNLXDT-UHFFFAOYSA-N 395.846 5.256 5 50 GKBA CC(=O)N(C(C)=O)c1c2ccc3ccccc3c2cc2ccc3ccccc3c12 45068523 LHYYZGQLQBRNGR-UHFFFAOYSA-N 377.443 6.199 5 50 GKBA c1ccc(-c2nc3cc4nc5ccccc5nc4cc3nc2-c2ccccc2)cc1 4566237 FKNLNXDWUUXWRJ-UHFFFAOYSA-N 384.442 6.060 5 50 GKBA CCCc1cc(=O)oc2cc(Oc3ccc([N+](=O)[O-])cc3C(F)(F)F)ccc12 4833559 AULYVCOEGZVKQQ-UHFFFAOYSA-N 393.317 5.465 5 50 GKBA O=[N+]([O-])c1ccc([C@@H]2Sc3ccccc3N=C3C2=C(O)c2ccccc23)cc1 100505765 FMGASDMOOZLXOB-QFIPXVFZSA-N 386.432 5.845 5 50 GKBA O=[N+]([O-])c1cccc(C(c2cccc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)c1 3129714 KAIPIZDQBPWTJN-UHFFFAOYSA-N 375.595 5.005 5 50 GKBA O=C(Nc1ccc([N+](=O)[O-])cc1Cl)Oc1ccc(OCc2ccccc2)cc1 4771274 LZOLEYOCERHVOY-UHFFFAOYSA-N 398.802 5.438 5 50 GKBA COc1ccc(C(=O)Nc2cc([N+](=O)[O-])cc3oc(-c4ccccc4)cc23)cc1 1069927 IUMLFYGLMMYTKK-UHFFFAOYSA-N 388.379 5.269 5 50 GKBA COC(=O)c1ccc(Oc2cc(Oc3cccc(Cl)c3)cc([N+](=O)[O-])c2)cc1 1226271 HNUILTWYPBQHIF-UHFFFAOYSA-N 399.786 5.619 5 50 GKBA O=C(Nc1ccccc1)c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 1386994 HNJGLRWZGQVPGS-UHFFFAOYSA-N 384.844 5.652 5 50 GKBA O=C(Nc1ccc(Cl)c(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 4785150 LNSGQIHUGGHQSR-UHFFFAOYSA-N 394.258 5.144 5 50 GKBA O=[N+]([O-])c1cccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccco4)=NN23)c1 5763182 RPGSPPHRUQBWCR-XLIONFOSSA-N 395.802 5.084 5 50 GKBA Cc1ccc(-c2nn3c(=O)c4c5c(sc4nc3c3ccccc23)CCCC5)cc1 719317 GNDRBFZGKKDPMV-UHFFFAOYSA-N 397.503 5.312 5 50 GKBA Clc1c2ccccc2c(CN2CCc3c([nH]c4ccccc34)C2)c2ccccc12 1226146 GTURKYIWPKQWPP-UHFFFAOYSA-N 396.921 6.686 5 50 GKBA Cc1ccc([N+](=O)[O-])cc1N1COc2ccc3cc(Br)ccc3c2C1 1177184 FUAHFKHNGZDAGA-UHFFFAOYSA-N 399.244 5.175 5 50 GKBA Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 2950701 CKPQQFHSOGQYLA-FQEVSTJZSA-N 378.453 5.375 5 50 GKBA CCc1ccc(-c2nc3cc(NC(=O)c4ccccc4[N+](=O)[O-])ccc3o2)cc1 1209681 MQLXRYYNMNPPBH-UHFFFAOYSA-N 387.395 5.218 5 50 GKBA O=[N+]([O-])c1cccc(-c2cc(-c3ccc(F)cc3)c3c(ccc4ccccc43)n2)c1 2924774 HLXWXPXAHPIZRU-UHFFFAOYSA-N 394.405 6.769 5 50 GKBA COc1cc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)ccc1OCC(C)C 6159682 JYQUMYHVPYBGJY-UHFFFAOYSA-N 398.466 5.370 5 50 GKBA N=c1oc2ccc3ccccc3c2cc1C(=O)Nc1cccc(Cl)c1Cl 17078244 DBDIZOHCXIEWKE-UHFFFAOYSA-N 383.234 5.625 5 50 GKBA O=[N+]([O-])c1ccc(/C=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)o1 1197001 DDRAKHJACOZDIJ-DHZHZOJOSA-N 375.359 5.350 5 50 GKBA CC[C@](C)(c1ccccc1)[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 3136884 SBZYRHILNUSTDD-LADGPHEKSA-N 389.451 5.861 5 50 GKBA CC[n+]1cccc(-c2cc(-c3ccc(Cl)cc3)c3c(ccc4ccccc43)n2)c1 13282168 JAWZMILDETXPDM-UHFFFAOYSA-N 395.913 6.683 5 50 GKBA C[C@H]1C[C@@H](N(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)c2ccccc2N1 1181736 JZBUSWXHRCFISV-KSFYIVLOSA-N 387.439 5.187 5 50 GKBA CCOC(=O)c1cc(C(=O)c2ccccc2)n2c1ccc1c3ccccc3ccc12 1096660 CZEYZEGCXVPGLD-UHFFFAOYSA-N 393.442 5.653 5 50 GKBA CC(=O)c1ccccc1OCc1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 1141131 BYXDEQDMAYHNNE-UHFFFAOYSA-N 397.814 5.822 5 50 GKBA CCCc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)nc1-c1cc(C)ccc1C 1172934 PWFUEMRMPKKZOW-UHFFFAOYSA-N 395.484 5.540 5 50 GKBA CCN(CC)c1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)cc1 1198330 FCXZZVBLLPBMFX-UHFFFAOYSA-N 393.443 5.262 5 50 GKBA CCOc1cc2c(cc1COc1ccc([N+](=O)[O-])c3ccccc13)O[C@@H](C)C2 1875358070 IGJMSOQLVKEZHU-AWEZNQCLSA-N 379.412 5.049 5 50 GKBA O=C(c1cc(Cl)ccc1[N+](=O)[O-])N(Cc1ccccc1)Cc1ccccc1 997947 ULUHKYBKKCSQRG-UHFFFAOYSA-N 380.831 5.091 5 50 GKBA C(=C/c1c2ccccc2c(/C=C/c2ccncc2)c2ccccc12)\c1ccncc1 169587166 MUGVFODJPVTKOB-WGDLNXRISA-N 384.482 7.124 5 50 GKBA Cc1ccc(Sc2ccc(C(=O)Nc3ccc(F)cc3)cc2[N+](=O)[O-])cc1 1386991 CEQWHJTUZOHKCR-UHFFFAOYSA-N 382.416 5.446 5 50 GKBA C[C@@H](CC(C)(C)C)[C@@H](CC[C@@H](C)CC(C)(C)C)COc1ccccc1[N+](=O)[O-] 4582842 VOWXGOGQMZSMGZ-AABGKKOBSA-N 391.596 7.515 5 50 GKBA O=[N+]([O-])c1ccc(CSc2ncnc3sc(-c4ccccc4)cc23)cc1 955540 MJQPOIPQXNAOKA-UHFFFAOYSA-N 379.466 5.559 5 50 GKBA Cc1c(OCc2c(Cl)cccc2Cl)ccc2c1oc(=O)c1ccccc12 1797669 UYKWEQILEMEESK-UHFFFAOYSA-N 385.246 6.140 5 50 GKBA C[C@@H](Cc1ccccc1)NCc1[nH]c2ccc([N+](=O)[O-])cc2c1-c1ccccc1 22591228 ZUQZTDCSLGYQLX-KRWDZBQOSA-N 385.467 5.464 5 50 GKBA Cc1ccc2oc(-c3cccc(NC(=O)c4cccc([N+](=O)[O-])c4C)c3)nc2c1 2978932 USCSBWKYKSRJRW-UHFFFAOYSA-N 387.395 5.272 5 50 GKBA C[C@@H]1CCc2c(sc3nc4c5ccccc5c(-c5ccccc5)nn4c(=O)c23)C1 1801786 CEWROALGQBGICQ-CQSZACIVSA-N 397.503 5.249 5 50 GKBA O=C(Nc1ccc(Cl)cc1F)c1sc2cc([N+](=O)[O-])ccc2c1Cl 667680 AVBPEDPXAVEKBX-UHFFFAOYSA-N 385.203 5.508 5 50 GKBA O=c1cc(-c2cccc([N+](=O)[O-])c2)c2ccc(OCc3ccc(F)cc3)cc2o1 842817 BLGRQMMDMIAHEQ-UHFFFAOYSA-N 391.354 5.086 5 50 GKBA O=C(COc1cccc2c1ccc1c3c(c(=O)oc12)CCCC3)c1ccccc1 1064359 KSMJOEUDXTXVCG-UHFFFAOYSA-N 384.431 5.087 5 50 GKBA COc1ccc2nc3cc(Cl)ccc3c(Cc3ccc4c(c3)OCO4)c2c1 96028116 KQDDCRVWXXJOLB-UHFFFAOYSA-N 377.827 5.370 5 50 GKBA Cc1ccc(NC(=O)CCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1Cl 4542649 OKRJKVWUHLRJLS-UHFFFAOYSA-N 384.819 5.388 5 50 GKBA O=C(Nc1ccccc1[N+](=O)[O-])c1cc(-c2cccs2)nc2ccccc12 5020761 ULZXMPGGHCNSBC-UHFFFAOYSA-N 375.409 5.124 5 50 GKBA N=c1oc2ccc3ccccc3c2cc1C(=O)Nc1ccccc1C(F)(F)F 17078053 VWJJRLNUXKJXLG-UHFFFAOYSA-N 382.341 5.337 5 50 GKBA O=[N+]([O-])c1ccc(CSc2nc(-c3ccccc3)nc3c2CCCC3)cc1 2841006 UZRPUTMPSXFONU-UHFFFAOYSA-N 377.469 5.223 5 50 GKBA CCCCCCC1=NN2[C@H](c3ccc([N+](=O)[O-])cc3)Oc3ccccc3[C@H]2C1 248205124 ZQZNCMLBAWQKCZ-IRLDBZIGSA-N 379.460 5.759 5 50 GKBA Cc1ccc2oc(-c3cccc(NC(=O)c4cccc([N+](=O)[O-])c4)c3C)nc2c1 824621 MIHONQFGNZSZCU-UHFFFAOYSA-N 387.395 5.272 5 50 GKBA COc1ccc(-n2c(-c3cccc([N+](=O)[O-])c3)nc(=S)c3c2CCCC3)cc1 1145427 ZACAZBWMAVVRIC-UHFFFAOYSA-N 393.468 5.064 5 50 GKBA O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1ccc2ccccc2c1 1202512 ZYQDKIXSPGPDOI-UHFFFAOYSA-N 395.465 5.089 5 50 GKBA O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccc([N+](=O)[O-])cc1Cl 1413889 NONUPGUVYWNKFM-UHFFFAOYSA-N 393.786 5.309 5 50 GKBA Cc1ccc(-n2c(/C=C/c3ccccc3[N+](=O)[O-])nc3ccccc3c2=O)c(C)c1 5047830 XZRVNSHYKLGGPK-WYMLVPIESA-N 397.434 5.081 5 50 GKBA CCc1ccccc1NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] 1121613 CNADFUSGFDGDBT-UHFFFAOYSA-N 378.453 5.561 5 50 GKBA Cc1noc(/C=C/c2ccc(-c3ccc(Br)cc3)o2)c1[N+](=O)[O-] 2883464 LHBKVXGPBCIRGX-VQHVLOKHSA-N 375.178 5.084 5 50 GKBA O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)c1ccccc1[N+](=O)[O-] 1209683 VMIRRJYPZQZCIE-UHFFFAOYSA-N 393.786 5.309 5 50 GKBA O=[N+]([O-])c1ccc(Nc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)n2)cc1 4008022 CVCRUDKXOAQHIS-UHFFFAOYSA-N 386.386 5.602 5 50 GKBA O=C(Oc1ccc(OCc2ccccc2)cc1)c1cc([N+](=O)[O-])ccc1Cl 1214457 ZMXFCUCTESLVDO-UHFFFAOYSA-N 383.787 5.046 5 50 GKBA O=C(NCCC(c1ccccc1)c1ccccc1)c1cc(Cl)ccc1[N+](=O)[O-] 668502 LHPYNNPFOPJFQG-UHFFFAOYSA-N 394.858 5.200 5 50 GKBA O=c1oc2cc(OCc3ccc(Br)cc3)ccc2c2ccccc12 1934717 WZZVYVZRQCJENO-UHFFFAOYSA-N 381.225 5.288 5 50 GKBA O=C(Nc1ccc([N+](=O)[O-])cc1)c1sc2cccc(OC(F)F)c2c1Cl 6402306 UDIYJXUPLBIXRB-UHFFFAOYSA-N 398.774 5.317 5 50 GKBA C[C@H](Nc1cc(N2CCCC2)ccc1[N+](=O)[O-])c1ccc(Br)cc1 4663729 GZLYXCMFOOAGMW-ZDUSSCGKSA-N 390.281 5.131 5 50 GKBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc2sc3ccccc3c2s1 1138848 SYRFNEIEDQGFJG-UHFFFAOYSA-N 384.438 5.285 5 50 GKBA O=[N+]([O-])c1c(N2CCC[C@@H]2c2cccc(Cl)c2Cl)ccc2cnccc12 2325759433 UCJNGQBLXBQBIV-MRXNPFEDSA-N 388.254 5.791 5 50 GKBA O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc2ccccc2c1 1163259 JQKWSZUEWWONDL-UHFFFAOYSA-N 380.450 5.333 5 50 GKBA in-vitro Cc1ccc(OCC(=O)Nc2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 2849875 HCYVBECBIWZEPN-UHFFFAOYSA-N 394.452 5.072 5 50 GKBA C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@]2(Br)[N+](=O)[O-] 257348873 JONDYXQWDHVHOG-OHNZXXHYSA-N 384.358 5.787 5 50 GKBA O=[N+]([O-])c1ccc(C2=Nc3cc4ccccc4cc3C(c3ccccc3)=NN2)cc1 4810661 NHMWXEGDZHJIHK-UHFFFAOYSA-N 392.418 5.182 5 50 GKBA Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(-c2ccccc2C)nc2ccccc12 4892408 YEXQDFMHVXOYSF-UHFFFAOYSA-N 397.434 5.679 5 50 GKBA O=[N+]([O-])c1cc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccco4)=NN32)ccc1Cl 25782090 RDGUKPMHFCXRJR-OXJNMPFZSA-N 395.802 5.084 5 50 GKBA O=[N+]([O-])c1cccc(Br)c1Oc1cnc2ccc(Cl)cc2c1 1875342049 VJXJARGURIFFBO-UHFFFAOYSA-N 379.597 5.351 5 50 GKBA O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(COc2ccc(Cl)cc2)c1 1002269 XDYDEOVKWYWPDY-UHFFFAOYSA-N 382.803 5.080 5 50 GKBA O=C(Nc1ccc([N+](=O)[O-])cc1Cl)Nc1cc(Cl)c(Cl)cc1Cl 4583047 AWMMZRVFRCHKLN-UHFFFAOYSA-N 395.029 5.852 5 50 GKBA Cc1coc2c3ccc4c(c3c3nc(-c5ccc(O)cc5)[nH]c3c12)CCCC4(C)C 1848442784 JIUVSZOWQMUHRY-UHFFFAOYSA-N 396.490 6.757 5 50 GKBA O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(CSc2ccccc2)cc1 1130878 ZVVIXJGSGXWBQR-UHFFFAOYSA-N 378.453 5.068 5 50 GKBA O=[N+]([O-])c1ccc(-c2cc(-c3ccccc3)c3c(ccc4ccccc43)n2)cc1 2029990 VOUSPLFCGAPYIE-UHFFFAOYSA-N 376.415 6.630 5 50 GKBA Cc1ccc2c(c1)Oc1cc([N+](=O)[O-])cc(Oc3ccccc3C)c1C(=O)N2 1097644 UZUMWKLSSGRTMU-UHFFFAOYSA-N 376.368 5.362 5 50 GKBA CC(=O)Nc1ccc2nc(SCc3c(Cl)cccc3[N+](=O)[O-])sc2c1 1137828 JIILCLISLBIQJT-UHFFFAOYSA-N 393.877 5.109 5 50 GKBA Cc1ccc(Cl)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCCC1 4757563 PBGWSLCQYJXBPB-UHFFFAOYSA-N 387.867 5.189 5 50 GKBA Cc1cc(C)c2c(n1)sc1c3nc(Nc4ccccc4)sc3c(=O)[nH]c12 20607285 XATMVYNOISLZIF-UHFFFAOYSA-N 378.482 5.108 5 50 GKBA Cc1ccc(Cn2c3ccccc3n3cc(-c4ccc([N+](=O)[O-])cc4)nc23)cc1 1301566 FNRQQTYRYOMRNL-UHFFFAOYSA-N 382.423 5.221 5 50 GKBA Cc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c([N+](=O)[O-])c1 5094170 POINIRWUEOOJSN-UHFFFAOYSA-N 391.210 5.722 5 50 GKBA CN1c2ccccc2C(C)(C)[C@]12C=Nc1c(c3ccccc3c3ccccc13)O2 2170289 JTRRHUVYCPAWOM-AREMUKBSSA-N 378.475 6.212 5 50 GKBA O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1 4423323 UCBQNQOOZVLGBU-UHFFFAOYSA-N 379.121 5.173 5 50 GKBA Cc1cc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)ccc1[N+](=O)[O-] 1863495 PKWYHRPAIPSEPM-UHFFFAOYSA-N 389.436 5.432 5 50 GKBA Cc1ccc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)c([N+](=O)[O-])c1 5093127 ZAFDHJSIEFFUTO-UHFFFAOYSA-N 391.210 5.722 5 50 GKBA C[C@H](c1ccccc1)[C@H](Oc1c(C(=O)O)cccc1[N+](=O)[O-])c1ccccc1 4565947 KBTHVBLDLJBSKM-QRWLVFNGSA-N 377.396 5.217 5 50 GKBA O=C(OCc1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1)c1cccs1 1141071 LWDSIZRNHKXZSC-UHFFFAOYSA-N 389.816 5.459 5 50 GKBA COc1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c([N+](=O)[O-])c1 4613854 NHWXWWAMKLRXPK-UHFFFAOYSA-N 399.406 5.071 5 50 GKBA COc1cccc(-n2c(-c3cccc([N+](=O)[O-])c3)nc(=S)c3c2CCCC3)c1 1158730 NOJHTMGLCUQYKZ-UHFFFAOYSA-N 393.468 5.064 5 50 GKBA CCc1ccc(-c2nc3ccc4ccccc4c3c3c2C(=O)c2ccccc2-3)cc1 2057221 SLBJBTZAIJXAJB-UHFFFAOYSA-N 385.466 6.829 5 50 GKBA C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccccc1[N+](=O)[O-] 849831 LDONLUZOKCSXAX-UZLBHIALSA-N 387.439 5.187 5 50 GKBA Cc1ccccc1Nc1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 2956214 LTDKRQHSQYYZPN-UHFFFAOYSA-N 384.460 6.122 5 50 GKBA Cc1c(NC(=O)c2cc(-c3cccs3)nc3ccccc23)cccc1[N+](=O)[O-] 1073666 RXRBUPMSISQUQQ-UHFFFAOYSA-N 389.436 5.432 5 50 GKBA O=[N+]([O-])c1cccc(-c2cs/c(=N\C3CCCCC3)n2C2CCCCC2)c1 100930070 MQAAVNGOXIHFHS-DQRAZIAOSA-N 385.533 5.863 5 50 GKBA C[C@H](CC[C@@H](COc1ccccc1[N+](=O)[O-])[C@H](C)CC(C)(C)C)CC(C)(C)C 101016262 VOWXGOGQMZSMGZ-AQNXPRMDSA-N 391.596 7.515 5 50 GKBA O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 680922 QUMNZRZNDFQVGW-UHFFFAOYSA-N 377.183 5.414 5 50 GKBA O=[N+]([O-])c1cccc(-c2cn3nc(-c4ccccc4)c(-c4ccccc4)nc3n2)c1 1313442 LARFSQLRRJKLFU-UHFFFAOYSA-N 393.406 5.034 5 50 GKBA Cc1cnc(NC(=O)c2cc3ccccc3c3cccnc23)c(Br)c1 225508516 LLCKRPQMYGCXEV-UHFFFAOYSA-N 392.256 5.106 5 50 GKBA CCn1c(SCc2cccc3ccccc23)nnc1-c1ccc([N+](=O)[O-])cc1 1129316 ITJUYFXZOATVKV-UHFFFAOYSA-N 390.468 5.319 5 50 GKBA Cc1ccc(Oc2ccc(-c3nnc(-c4ccccc4)o3)cc2[N+](=O)[O-])cc1C 1139024 JYQQRXAXFDLCCZ-UHFFFAOYSA-N 387.395 5.721 5 50 GKBA Cc1ccc(-c2nc3cc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)ccc3o2)cc1 1226972 ZETVBMLBQGHTLU-UHFFFAOYSA-N 387.395 5.272 5 50 GKBA O=C1[C@H](c2ccccc2)c2c(c3ccccc3c3ccccc23)[C@H]1c1ccccc1 3051834 AGWYEPSKPQEXTK-CLJLJLNGSA-N 384.478 6.840 5 50 GKBA O=C(CSc1nc2ccccc2s1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 4821108 VHWNAHNWSSIAFW-UHFFFAOYSA-N 396.449 5.440 5 50 GKBA O=c1cc(-c2cccc([N+](=O)[O-])c2)c2ccc(OCc3ccccc3F)cc2o1 2830712 ZTAXGFYHVXKQGC-UHFFFAOYSA-N 391.354 5.086 5 50 GKBA O=C1c2ccccc2-c2c1c(-c1ccc(Cl)cc1)nc1ccc3ccccc3c21 2026057 HMVHXLLTCAOEHJ-UHFFFAOYSA-N 391.857 6.920 5 50 GKBA O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)Nc1ccccc1N=C2c1ccc(Cl)cc1 4733659 SFMJGXKEYCKDAF-UHFFFAOYSA-N 394.774 5.383 5 50 GKBA C[C@H](Oc1ccccc1)C(=O)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 1067037 AQOSCTLRFSOQFS-HNNXBMFYSA-N 394.452 5.152 5 50 GKBA COc1ccccc1NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] 1106169 QYZCYRJQARCYOY-UHFFFAOYSA-N 380.425 5.007 5 50 GKBA O=[N+]([O-])c1c2cccc(Cl)c2c(Cc2ccccc2)c2cccc(Cl)c12 3132884 VYXOECQUFOQGOR-UHFFFAOYSA-N 382.246 6.799 5 50 GKBA COc1cc2c(cc1NC(=O)Nc1ccc([N+](=O)[O-])cc1)oc1ccccc12 5060719 ONKIIBIECFVEHM-UHFFFAOYSA-N 377.356 5.147 5 50 GKBA Cc1c(Cl)cccc1-c1ccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)o1 1185368 YPGRLEXASDTPIR-UHFFFAOYSA-N 391.210 5.722 5 50 GKBA O=C(Nc1cccc([N+](=O)[O-])c1)/C(=C/c1ccccc1Cl)c1ccccc1 13842791 RKMXWIWTUJRIDF-CPNJWEJPSA-N 378.815 5.428 5 50 GKBA COc1ccc(-c2c3ccccc3c(-c3ccc(OC)cc3)c3ccccc23)cc1 1633337 KTYCXBAOXVVIMM-UHFFFAOYSA-N 390.482 7.344 5 50 GKBA Cc1sc2nc3c4ccccc4c(Sc4ccccc4)nn3c(=O)c2c1C 1801796 RNLLDEYKBPFNJA-UHFFFAOYSA-N 389.505 5.225 5 50 GKBA Cc1ccc(C)c(NC(=O)c2ccccc2Sc2ccc([N+](=O)[O-])cc2)c1 1117502 AWXGZPIIKJMIQX-UHFFFAOYSA-N 378.453 5.615 5 50 GKBA Cc1ccc(C)c(-c2csc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])n2)c1 937381 NMDGUZKJQVULSJ-UHFFFAOYSA-N 387.848 5.241 5 50 GKBA O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(CSc2ccccc2)o1 4826551 ZBZRWBDNZWBCOH-UHFFFAOYSA-N 388.832 5.386 5 50 GKBA O=[N+]([O-])c1cc(C2N(c3ccccc3)CCN2c2ccccc2)ccc1Cl 1822270 KTWAEPMQONUFIK-UHFFFAOYSA-N 379.847 5.274 5 50 GKBA Cc1ccc(-c2cc(C(=O)Nc3ccccc3[N+](=O)[O-])c3ccccc3n2)s1 4893355 AJHMFUPWYCFLBP-UHFFFAOYSA-N 389.436 5.432 5 50 GKBA O=[N+]([O-])c1cc2c(cc1-c1nc(-c3ccccc3)c(-c3ccccc3)[nH]1)OCO2 809048 BWSCSUAZTWLAMK-UHFFFAOYSA-N 385.379 5.048 5 50 GKBA O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 1176132 ZMKDRHSQFXFBRV-UHFFFAOYSA-N 377.183 5.414 5 50 GKBA COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](Sc1ccccc1)c1ccccc1 4524484 XYOXZOMYSJLXHO-HXUWFJFHSA-N 394.452 5.076 5 50 GKBA CSc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 5362217 KWFKUNFTMGGWIC-UHFFFAOYSA-N 391.663 5.529 5 50 GKBA Cc1ccc([N+](=O)[O-])cc1NC(=O)c1sc2cc(Cl)ccc2c1Cl 2861578 GOBBUHTWITWEGT-UHFFFAOYSA-N 381.240 5.677 5 50 GKBA O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC1(c1ccccc1)c1ccccc1 1234438 PMEIIPJPQHVMQU-GOSISDBHSA-N 392.842 5.193 5 50 GKBA COc1ccc2nc3cc(Cl)ccc3c(Cc3ccc(OC)c(OC)c3)c2c1 96028130 GHQDSDUQOPFBCB-UHFFFAOYSA-N 393.870 5.658 5 50 GKBA Cc1ccc(C)c(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccc([N+](=O)[O-])c2)c1 245241691 MYVJPTQHKVKORN-UPVQGACJSA-N 399.450 5.454 5 50 GKBA Cc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])o3)n2)c2ccccc12 1216519 GJYCWNVGWDUGDO-UHFFFAOYSA-N 379.397 5.025 5 50 GKBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nc3ccccc3o2)cc1 1207138 DYSYGZJBZOXOSY-MDWZMJQESA-N 385.379 5.055 5 50 GKBA CCCCc1ccc2nc(NC(=O)c3ccc(OCC)c([N+](=O)[O-])c3)sc2c1 2837776 VHWZCZBDWLLXAK-UHFFFAOYSA-N 399.472 5.198 5 50 GKBA O=[N+]([O-])c1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccco4)=NN32)cc1 934709 QUDKPBNUTFCSPQ-FXAWDEMLSA-N 395.802 5.084 5 50 GKBA O=[N+]([O-])c1cc(-c2nc(-c3ccccc3)c(-c3cccs3)[nH]2)ccc1Cl 1176277 QFYCANGSYNRGEN-UHFFFAOYSA-N 381.844 6.034 5 50 GKBA O=[N+]([O-])c1ccc(Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1 4058829 QUSKEWBKMCQFTC-UHFFFAOYSA-N 376.803 5.602 5 50 GKBA O=c1oc2cc(OCc3c(F)c(F)c(F)c(F)c3F)ccc2c2ccccc12 4786010 NKMZKWWLLSPXJU-UHFFFAOYSA-N 392.279 5.221 5 50 GKBA Cc1ccccc1C1(c2ccccc2C)C[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 825681 HZXUUFOXHMBHIE-JOCHJYFZSA-N 386.451 5.156 5 50 GKBA O=C(Nc1ccc(Cl)cc1)OCc1ccc(Oc2ccccc2)c([N+](=O)[O-])c1 1392280 WBLIQWXYMQGXBB-UHFFFAOYSA-N 398.802 5.789 5 50 GKBA O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccc([N+](=O)[O-])o1 1104855 DNZVILKGXNTULD-UHFFFAOYSA-N 399.815 5.370 5 50 GKBA O=[N+]([O-])c1ccc(O)c(-c2nc(-c3ccccc3)c(-c3cccc(Cl)c3)[nH]2)c1 5942282 GPYUCNOPQPPZSD-UHFFFAOYSA-N 391.814 5.678 5 50 GKBA Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1cccc([N+](=O)[O-])c1 841489 ZQZFQTIXUPXETI-UHFFFAOYSA-N 389.436 5.432 5 50 GKBA O=[N+]([O-])c1ccc(/C=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 5059721 ODNYJUAMNUTNCF-RMKNXTFCSA-N 385.398 5.757 5 50 GKBA O=[N+]([O-])c1cccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccco4)=NN32)c1 12194821 RPGSPPHRUQBWCR-YLJYHZDGSA-N 395.802 5.084 5 50 GKBA CC(=O)c1ccccc1OC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] 1122726 CTIGCWFCNBANES-UHFFFAOYSA-N 393.420 5.168 5 50 GKBA O=c1oc2cc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc2c2c1CCC2 842822 DZQIHFSTKNNJBT-UHFFFAOYSA-N 391.301 5.001 5 50 GKBA biogenic O=[N+]([O-])c1ccc(-c2nc(Nc3cccc(Cl)c3)c3ccccc3n2)cc1 16976719 FEBPHDYRVPUBKZ-UHFFFAOYSA-N 376.803 5.602 5 50 GKBA Cc1cc(N2CCC[C@]2(C)Cc2ccc(C(F)F)cc2)c([N+](=O)[O-])cc1F 2325830078 ZVGDZGFEKGMBGE-HXUWFJFHSA-N 378.394 5.582 5 50 GKBA COc1ccc(NC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)cc2)cc1 1141223 RXSKTUFRSLEXLK-UHFFFAOYSA-N 398.802 5.301 5 50 GKBA COc1ccc(-c2nc3ccc4ccccc4c3c3c2C(=O)c2ccccc2-3)cc1 1841268 HYBFESLMUSCKTP-UHFFFAOYSA-N 387.438 6.275 5 50 GKBA O=[N+]([O-])c1ccc(-c2cc(-c3cccnc3)nc3ccc4ccccc4c23)cc1 2897929 URDUSOVDHHPVID-UHFFFAOYSA-N 377.403 6.025 5 50 GKBA O=[N+]([O-])c1ccc(-c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1C(F)(F)F 16159828 XTBWIABPTZDUPM-UHFFFAOYSA-N 380.200 5.208 5 50 GKBA in-vitro Cc1ccc2c(c1)c1c3n2CCCN(Cc2ccccc2[N+](=O)[O-])[C@@H]3CCC1 55447660 LKFIBCLULSLIKJ-JOCHJYFZSA-N 375.472 5.141 5 50 GKBA Cc1ccc(Cl)cc1NC(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 4758399 MTWCOZCTRZVDQN-UHFFFAOYSA-N 387.867 5.189 5 50 GKBA O=[N+]([O-])c1ccccc1-c1nc(-c2cccc(Cl)c2)c(-c2ccccc2)[nH]1 16491748 LCIWILYUWSGYFT-UHFFFAOYSA-N 375.815 5.972 5 50 GKBA O=[N+]([O-])c1ccc(O)c(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)c1 19849797 QHEVDIFGBRSILE-UHFFFAOYSA-N 383.407 5.443 5 50 GKBA Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 4313666 MDSFRQUZYVVZIQ-FQEVSTJZSA-N 378.453 5.375 5 50 GKBA Cc1cc(-n2c(-c3ccc([N+](=O)[O-])cc3)nc3ccccc32)n(-c2ccccc2)n1 822240 NVHAIHMHVSEXEQ-UHFFFAOYSA-N 395.422 5.095 5 50 GKBA c1cnc2c(c1)ccc1c(N[C@H]3CCC[C@H](c4nc5ccccc5[nH]4)C3)ccnc12 2325876258 OTOYRGXJHQSCAV-ROUUACIJSA-N 393.494 5.798 5 50 GKBA Cc1c(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cccc1[N+](=O)[O-] 1076764 FETJGFXUPTVLIR-UHFFFAOYSA-N 381.240 5.677 5 50 GKBA CCOC(=O)c1cc(C(=O)c2ccccc2)n2c1ccc1ccc3cccnc3c12 638986 OYDLVRGTECYTPQ-UHFFFAOYSA-N 394.430 5.048 5 50 GKBA COC(=O)C12CC=CCC1(C(=O)c1cc3ccccc3c3ccccc13)CC=CC2 45070901 BIXRHCYKVDHVEP-UHFFFAOYSA-N 396.486 6.022 5 50 GKBA Cc1ccc2oc(-c3cccc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)c3)nc2c1 824697 DUQZSRLBPPMIDK-UHFFFAOYSA-N 387.395 5.272 5 50 GKBA CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)nc2ccc3ccccc3c2c1C 2469011 IBSWFYZLNIXYNV-UHFFFAOYSA-N 386.407 5.448 5 50 GKBA Oc1ccc(Br)cc1-c1nc2ccc3ccccc3c2c2c1CCC2 1837651 AYBVWQFBEMASNE-UHFFFAOYSA-N 390.280 6.012 5 50 GKBA