smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1noc(C)c1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(F)c1 128915309 SMLDCWJJRXDJQM-UHFFFAOYSA-N 315.282 2.140 5 50 DEBA CSc1cccc(NC(=O)Cn2nc([N+](=O)[O-])cc2C)c1 193877503 OFYLJNYELBHYMX-UHFFFAOYSA-N 306.347 2.460 5 50 DEBA Cc1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2C=O)cc1 3132316 XUYDNCAFDYNXBZ-UHFFFAOYSA-N 321.310 2.483 5 50 DEBA Nc1ncnc(Nc2ccc(Br)cc2)c1[N+](=O)[O-] 3912732 HHDWZWUTFPJBER-UHFFFAOYSA-N 310.111 2.473 5 50 DEBA Cc1sc(S(=O)(=O)N2C[C@H]3CC[C@H]2C3)cc1[N+](=O)[O-] 225360317 PTQDGXFFYDRHDS-IUCAKERBSA-N 302.377 2.138 5 50 DEBA Cc1cc(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)cc([N+](=O)[O-])c1 155719879 ZNGCZULONJUESG-SWLSCSKDSA-N 305.378 2.362 5 50 DEBA CC(C)c1nnc2n1C[C@@H](Nc1cc(N)ccc1[N+](=O)[O-])CC2 193403517 PWXNFKWXHCAOQX-NSHDSACASA-N 316.365 2.319 5 50 DEBA COc1ccccc1N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 19640525 DSOIQPVWYLFAAY-UHFFFAOYSA-N 314.345 2.325 5 50 DEBA O=C(NC[C@H]1CCCO1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 4840732 LOOAKKZGLMVYCI-CYBMUJFWSA-N 319.361 2.104 5 50 DEBA COc1ccc2c3c1O[C@H]1[C@H](O)C=C[C@H](CC[N+](C)(C)C2)[C@H]31 1772492942 AKJAUQPVWVZPQX-MDRZDLKXSA-N 302.394 2.067 5 50 DEBA O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1COc2ccccc2O1 78769 ROZHPHAJMCSPIN-CQSZACIVSA-N 300.270 2.373 5 50 DEBA Cc1cc([N+](=O)[O-])nn1CCCC(=O)Nc1cccc(O)c1 2883005 RCDCKHLTHOTARQ-UHFFFAOYSA-N 304.306 2.224 5 50 DEBA CCn1ncc(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1C 4615147 ZDQWFVABUQDOOS-UHFFFAOYSA-N 304.306 2.381 5 50 DEBA O=C(CN1CCO[C@H]2CCCC[C@H]21)Nc1ccccc1[N+](=O)[O-] 230126961 SOTUWNQBKCIOHP-CABCVRRESA-N 319.361 2.177 5 50 DEBA CCNC(=O)/N=c1\sc([N+](=O)[O-])cn1Cc1cccc(F)c1 71767352 GMIURZVYVSTNER-SSZFMOIBSA-N 324.337 2.275 5 50 DEBA Cc1cc(N2CC(c3n[nH]c4c3COCC4)C2)ccc1[N+](=O)[O-] 1652330510 WGHNTMNJCIKJJA-UHFFFAOYSA-N 314.345 2.303 5 50 DEBA COc1ccc([N+](=O)[O-])cc1NC(=O)CNCc1ccccc1 52537723 NXMNZWNYGIRXGK-UHFFFAOYSA-N 315.329 2.332 5 50 DEBA O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@H]3CCCCO3)C2)nc1 252677545 ZBWKJWYVYWUYMR-TZMCWYRMSA-N 306.366 2.045 5 50 DEBA O=C(CCOCC(F)F)N1CCc2ccc([N+](=O)[O-])cc2C1 170611216 BBXUJQAUNWQUHU-UHFFFAOYSA-N 314.288 2.151 5 50 DEBA Cc1cc(N2CCc3nc(N(C)C)sc3C2)ncc1[N+](=O)[O-] 952992725 RVGOUBKPVIRLDP-UHFFFAOYSA-N 319.390 2.383 5 50 DEBA Cc1nn([C@H](C)C(=O)N2CCc3ccccc32)cc1[N+](=O)[O-] 2781692 KIKCIPXLCLIJNJ-LLVKDONJSA-N 300.318 2.250 5 50 DEBA O=C(c1cccc([N+](=O)[O-])c1O)N1CC[C@]2(O)CCCC[C@H]2C1 119372828 BZKYFAFJSLRHJU-MEDUHNTESA-N 320.345 2.068 5 50 DEBA Cc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1[N+](=O)[O-] 239284851 CELZKNVTSCTQFY-OBPPPDSMSA-N 324.336 2.461 5 50 DEBA O=[N+]([O-])c1ccc(NC[C@@H]2CCCO2)nc1NC[C@@H]1CCCO1 170610825 WXFDQWCDZAKPJI-RYUDHWBXSA-N 322.365 2.172 5 50 DEBA NC(=O)c1nn(Cc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 1425460 RNGJRRVDPAZAAU-UHFFFAOYSA-N 315.116 2.245 5 50 DEBA CCCNc1ccc(C(=O)NC[C@@H]2CCCO2)cc1[N+](=O)[O-] 4865840 FKKAVXXAXWJOTF-LBPRGKRZSA-N 307.350 2.326 5 50 DEBA CCOC[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2O)C1 151679387 MCVKKGFPAKXLNB-LLVKDONJSA-N 308.334 2.189 5 50 DEBA CC(C)[C@H]1OCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1O 156623637 PDCILIQBYQFZMR-IINYFYTJSA-N 308.334 2.091 5 50 DEBA COc1ccc([N+](=O)[O-])cc1CNC(=O)N1C[C@H]2[C@@H](C1)C2(C)C 175290721 GHWCVMYFRLTDTG-BETUJISGSA-N 319.361 2.401 5 50 DEBA O=C(c1cccc([N+](=O)[O-])c1O)N1CCO[C@H]2CCCC[C@H]21 130424992 UCWMWKHEHMVPLG-YPMHNXCESA-N 306.318 2.084 5 50 DEBA C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](CO)CC1 293081759 JRJDINGVFBBGSQ-QWHCGFSZSA-N 321.377 2.016 5 50 DEBA Nn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccco1 530797 RAYJBCRBDCVTEK-UHFFFAOYSA-N 317.330 2.452 5 50 DEBA C[C@@H](CC(=O)OC(C)(C)C)N=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 450326176 GLORBIRKJYCZTH-VIFPVBQESA-N 320.349 2.425 5 50 DEBA CN(C(=O)c1cccc([N+](=O)[O-])c1O)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 252515053 GKRQPBCFYNBRSP-ZLKJLUDKSA-N 320.345 2.186 5 50 DEBA CCN1C[C@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 591068587 BUBAUHMPYGNLPF-DANNLKNASA-N 317.389 2.155 5 50 DEBA C[C@H](C(=O)N1CCCc2ccccc21)n1cc([N+](=O)[O-])cn1 4686904 WKQDGHYDOOGXII-LLVKDONJSA-N 300.318 2.332 5 50 DEBA Cc1cccnc1NC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1 330873 OFRRSTWBSBFAHD-UHFFFAOYSA-N 316.342 2.425 5 50 DEBA CC[C@](CO)(C(=O)O[C@@H]1C[N+]2(C)CCC1CC2)c1ccccc1 355495 FQSXHTCAEAKDPA-NZVUXIEPSA-N 318.437 2.109 5 50 DEBA O=[N+]([O-])c1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 1571129 BVHNGWRPAFKGFP-UHFFFAOYSA-N 308.271 2.336 5 50 DEBA in-vitro COc1cc(C(=O)N2CCCSC2)c([N+](=O)[O-])cc1OC 1356497342 DRKIEOSRQXAPTQ-UHFFFAOYSA-N 312.347 2.149 5 50 DEBA COC(=O)[C@@]1(C)CCCN1C(=O)c1cc([N+](=O)[O-])ccc1C 187635797 AGJRWTVSCUBLSJ-OAHLLOKOSA-N 306.318 2.071 5 50 DEBA CN(C)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 4702871 PGQYFAXZSYNXIK-UHFFFAOYSA-N 321.358 2.462 5 50 DEBA O=C1c2ccc([N+](=O)[O-])cc2N=C2N(c3ccccc3)CC[C@]12O 22056924 VIMYHNYWFMRDKQ-KRWDZBQOSA-N 323.308 2.463 5 50 DEBA in-vitro O=[N+]([O-])c1ccccc1S(=O)(=O)NCCc1ccccc1 272267 TYLQUNDUNLQKGK-UHFFFAOYSA-N 306.343 2.116 5 50 DEBA O=[N+]([O-])C1=C(Nc2ccc(Cl)c(Cl)c2)CS(=O)(=O)C1 297432 CFOGVCRIFXXVQB-UHFFFAOYSA-N 323.157 2.322 5 50 DEBA COc1ccccc1[C@H](O)CNc1ncc(C)cc1[N+](=O)[O-] 172807526 CLUPCTQDNPKCCC-CYBMUJFWSA-N 303.318 2.452 5 50 DEBA O=[N+]([O-])c1ccccc1CN1CCN(Cc2ccccn2)CC1 178650 KSWIZWIRPZPLCA-UHFFFAOYSA-N 312.373 2.308 5 50 DEBA Cc1cc([N+](=O)[O-])nn1C[C@@H](O)COc1ccc(Cl)cc1 170594928 FGPFDGBBAJCTIC-LLVKDONJSA-N 311.725 2.193 5 50 DEBA CCN(CC)CCN(C)Cc1cc(OC)c(O)c([N+](=O)[O-])c1 4989384 XUIWRTLQXYRJAE-UHFFFAOYSA-N 311.382 2.083 5 50 DEBA CCN1C(=O)N[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)O)=C1C 5644150 AIUMKJHZJWOLOK-GFCCVEGCSA-N 305.290 2.040 5 50 DEBA CC[C@]1(C)COCCN1C(=O)c1cccc(OC)c1[N+](=O)[O-] 240423842 FRJVAIJBTKFLIF-OAHLLOKOSA-N 308.334 2.245 5 50 DEBA Cc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1[N+](=O)[O-] 239284853 CELZKNVTSCTQFY-XMDOAZLISA-N 324.336 2.461 5 50 DEBA O=C(NC[C@@H]1Cc2ccccc2O1)c1ccc(O)c([N+](=O)[O-])c1 164180414 XDUVEIVXWPNSRD-LBPRGKRZSA-N 314.297 2.034 5 50 DEBA Cc1c(NC(=O)N2[C@@H](C)[C@H](C)NC(=O)[C@H]2C)cccc1[N+](=O)[O-] 585120013 GGTOHRYRVIHBCT-GARJFASQSA-N 320.349 2.032 5 50 DEBA COc1ccc(C(=O)NC(=S)N2CCCCC2)cc1[N+](=O)[O-] 4724755 YFTYKDOCMSBHOO-UHFFFAOYSA-N 323.374 2.104 5 50 DEBA CCOc1ccccc1NC(=O)CCn1cc([N+](=O)[O-])cn1 2749466 YHFCVHUQYUZKAS-UHFFFAOYSA-N 304.306 2.219 5 50 DEBA CCCNc1ccc(C(=O)NC[C@H]2CCCO2)cc1[N+](=O)[O-] 4865841 FKKAVXXAXWJOTF-GFCCVEGCSA-N 307.350 2.326 5 50 DEBA Cc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)sc1C 16213234 MVHAJGGJRXIEKG-UHFFFAOYSA-N 313.360 2.469 5 50 DEBA Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1[N+](=O)[O-] 1772820802 CJGKWYOTZCTMPK-UHFFFAOYSA-N 304.146 2.489 5 50 DEBA Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 100930166 HWGBWQBVDRKTPZ-ZNIXKSQXSA-N 316.313 2.365 5 50 DEBA Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCCc2cccc(O)c21 170605189 NQDILZNHVQNIJW-UHFFFAOYSA-N 313.313 2.476 5 50 DEBA O=C(NCc1ccc2c(c1)CCO2)c1ccc([N+](=O)[O-])c(O)c1 169974691 RMFQZGGUNMTIIU-UHFFFAOYSA-N 314.297 2.165 5 50 DEBA O=c1/c(=C/c2cccc([N+](=O)[O-])c2)sc2nc3ccccc3n12 136015 XBMKPBKZDSJTCY-ZROIWOOFSA-N 323.333 2.365 5 50 DEBA Cc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1[N+](=O)[O-] 101385854 MOUKOXCKWBXEKL-NUZBWSBOSA-N 316.313 2.365 5 50 DEBA CCOC(=O)/C(CC)=C(\C)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 100453864 KPECZIGQNTYJBH-ATGUSINASA-N 322.361 2.465 5 50 DEBA CC(C)CC(=O)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1 19446479 YWIYJPUHMCNQTD-UHFFFAOYSA-N 305.378 2.285 5 50 DEBA Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1cccnc1 468069 RXHLVGGITZONEK-UHFFFAOYSA-N 316.342 2.425 5 50 DEBA CCCOC(=O)N(CCCN(C)C)c1ncc([N+](=O)[O-])s1 96027536 PIFRBWFTLFPEEP-UHFFFAOYSA-N 316.383 2.356 5 50 DEBA Cc1cc(N2CC[C@@H](n3cc(C4CC4)nn3)C2)ncc1[N+](=O)[O-] 952963703 JKPCXGOJYQOSRI-GFCCVEGCSA-N 314.349 2.219 5 50 DEBA O=[N+]([O-])c1c(N2CCC(n3cccn3)CC2)nc2ccccn12 225520360 MRAYKVCKTSGBEU-UHFFFAOYSA-N 312.333 2.281 5 50 DEBA Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCCn2ncnc21 163028196 TUIDHCXPODNFGC-LBPRGKRZSA-N 316.321 2.151 5 50 DEBA O=[N+]([O-])c1ccc(CN2CCC(N3CCCOCC3)CC2)cc1 585133440 IBQNHHPTDAZELL-UHFFFAOYSA-N 319.405 2.282 5 50 DEBA O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@H]1[C@@H]1CCCO1 285688697 FQNQJUIEIWRAQM-KBPBESRZSA-N 306.318 2.084 5 50 DEBA O=C(OCc1ccc([N+](=O)[O-])cc1)N1CCN2CCC1CC2 1875318326 FTYQDWWRFCAXSS-UHFFFAOYSA-N 305.334 2.011 5 50 DEBA CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c(N)c2)CC1 113327002 SQDDRYKOQRWTMK-UHFFFAOYSA-N 322.365 2.234 5 50 DEBA Cc1ccnc(N2CC[C@@H](n3cc(C4CC4)nn3)C2)c1[N+](=O)[O-] 952881720 IVVCEPHNMBAOOK-GFCCVEGCSA-N 314.349 2.219 5 50 DEBA CCOc1ccccc1NC(=O)[C@@H](C)n1cc([N+](=O)[O-])cn1 1423704 UKKLMWHZCVMESV-SNVBAGLBSA-N 304.306 2.390 5 50 DEBA CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OC)c(OC)c2)n1 1432482 BAAXDFQHICLNLD-UHFFFAOYSA-N 320.305 2.081 5 50 DEBA O=[N+]([O-])c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 246517 GFAJPJGKVNRLNV-UHFFFAOYSA-N 318.354 2.342 5 50 DEBA O=[N+]([O-])c1cc(Cl)ccc1N1CCC(n2cnnc2O)CC1 408516852 WJKFDJDKFKAFQS-UHFFFAOYSA-N 323.740 2.387 5 50 DEBA CC[C@H](C)N(CC(=O)O)C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] 170683192 SZRTVTHQMNVEFZ-STUBTGCMSA-N 324.308 2.459 5 50 DEBA COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(C)CC1 4821388 YUSKNZNZOIGVDT-UHFFFAOYSA-N 307.350 2.274 5 50 DEBA CCOC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 183761 JPSLWFZKJCJJFR-UHFFFAOYSA-N 320.345 2.319 5 50 DEBA Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H](C)[C@@H](C)C2)cc1C 408406662 RRXNERZEBMCYMU-TXEJJXNPSA-N 312.391 2.488 5 50 DEBA O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O 104272563 CARARMWAMTUKGH-WTTBSCSTSA-N 304.302 2.280 5 50 DEBA O=C(O)/C(=C\c1ccco1)NC(=O)c1cccc([N+](=O)[O-])c1 173221 FOEDHWKLJXWDTG-XYOKQWHBSA-N 302.242 2.043 5 50 DEBA NC(=O)c1ccccc1OC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 1741747 LISZRDFLMLHUMQ-UHFFFAOYSA-N 319.248 2.444 5 50 DEBA CC[C@@H](c1nc2c3ccccc3ncn2n1)n1cc([N+](=O)[O-])cn1 2806603 VPWJEXCNEHERED-ZDUSSCGKSA-N 323.316 2.382 5 50 DEBA Cc1nc([C@@H]2CN(c3cccc(F)c3[N+](=O)[O-])CCO2)no1 241126153 JJWJJZNRLGWHDW-NSHDSACASA-N 308.269 2.003 5 50 DEBA CCc1oc(C(=O)OC)cc1Cn1nc(C)c([N+](=O)[O-])c1C 175024197 GQJSWYWGIPENBF-UHFFFAOYSA-N 307.306 2.398 5 50 DEBA C[C@@H](Nc1nc2sccn2c1[N+](=O)[O-])c1csc(=N)[nH]1 1875303802 NKKNFXGWVMUWTJ-RXMQYKEDSA-N 310.364 2.346 5 50 DEBA CN(C[C@H](O)C1CC1)C(=O)c1c(F)ccc(Cl)c1[N+](=O)[O-] 1776006803 WBTSXVVMPOYJFJ-JTQLQIEISA-N 316.716 2.230 5 50 DEBA O=[N+]([O-])c1ccccc1OCCN1CCCC[C@@H]1[C@@H]1CCNC1 420401645 PMEAXDLHPBNDAQ-HUUCEWRRSA-N 319.405 2.438 5 50 DEBA Nc1sc2cccc[n+]2c1C(=O)c1cccc([N+](=O)[O-])c1 5354452 WHOANGKFNPQCKN-UHFFFAOYSA-O 300.319 2.208 5 50 DEBA Cc1cc(O)nc(N2CC[C@@H](Nc3ccccc3[N+](=O)[O-])C2)n1 952993478 HUGYFTBYDPLZQM-LLVKDONJSA-N 315.333 2.090 5 50 DEBA O=C(C[C@]1(O)C(=O)Nc2ccccc21)c1cccc([N+](=O)[O-])c1 2501671 FMYQOYQTIPUSIW-MRXNPFEDSA-N 312.281 2.008 5 50 DEBA O=C(O)c1ccc([N+](=O)[O-])cc1N1C(=O)c2ccccc2C1=O 4796046 MPBWFFFLBXSSAX-UHFFFAOYSA-N 312.237 2.094 5 50 DEBA CN(Cc1ccc(N)nc1)c1ncnc2sc([N+](=O)[O-])cc12 342853859 SURVEODQFXVNPQ-UHFFFAOYSA-N 316.346 2.213 5 50 DEBA Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-n2ccnn2)cc1 190896684 UXYZMWIQVWOSMO-UHFFFAOYSA-N 324.300 2.010 5 50 DEBA C[C@]1(c2ccc([N+](=O)[O-])cc2)Nc2ccccc2-c2nnnn21 1615055454 NMGUHLMEDPRVMZ-HNNXBMFYSA-N 308.301 2.395 5 50 DEBA O=[N+]([O-])c1cc(-c2nnnn2-c2ccccc2)cc([N+](=O)[O-])c1 2029420 JOJGLUOKOZOMMJ-UHFFFAOYSA-N 312.245 2.146 5 50 DEBA O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)O 5061380 NEYFREBYKGTFIF-UHFFFAOYSA-N 316.269 2.311 5 50 DEBA C[C@@H]1CN(CCOCCOc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 20652989 ZKKLXQCDHKSMQJ-ZIAGYGMSSA-N 324.377 2.099 5 50 DEBA CCOc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cc(C)[nH]n1 408515837 PYPISKGXUGBBQI-UHFFFAOYSA-N 305.294 2.669 5 50 DEBA C[C@H](O)[C@H]1CCCN1c1ncc([N+](=O)[O-])cc1Br 585098851 IVBMXYLVLHSWDG-OIBJUYFYSA-N 316.155 2.102 5 50 DEBA CCOc1cc(/C=C2\SC(=O)NC2=O)cc([N+](=O)[O-])c1O 35979371 KHGSTORHXXLQBR-UITAMQMPSA-N 310.287 2.023 5 50 DEBA C[C@H](C(=O)NCc1ccccc1Cl)n1cc([N+](=O)[O-])cn1 1067336 WVZOKZWFXPPBDF-SECBINFHSA-N 308.725 2.322 5 50 DEBA O=C(N[C@H]1COc2ccccc21)c1ccc(O)c([N+](=O)[O-])c1 164423058 HLOPNHIZLMFKGK-NSHDSACASA-N 300.270 2.164 5 50 DEBA CC(C)c1nnc2n1CCN(c1ncc([N+](=O)[O-])s1)[C@@H]2C 192544245 CELNOMHGZNHKDZ-MRVPVSSYSA-N 308.367 2.347 5 50 DEBA CC(=O)Nc1ccc(S(=O)(=O)Cc2ccc([N+](=O)[O-])o2)cc1 4543032 MGRBONNWALKINO-UHFFFAOYSA-N 324.314 2.120 5 50 DEBA Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N(C)Cc1nccn1C 585089714 VSIQSMKFUKVGQU-UHFFFAOYSA-N 306.297 2.048 5 50 DEBA Cc1cc(NCc2cc(O)nc(C3CC3)n2)ncc1[N+](=O)[O-] 952994978 YVQMMPODOIMGSD-UHFFFAOYSA-N 301.306 2.283 5 50 DEBA O=[N+]([O-])c1cn(C[C@@H]2CN(Cc3ccccc3)CCCO2)cn1 253416118 PYYUDLXDACLQIF-HNNXBMFYSA-N 316.361 2.082 5 50 DEBA O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 239128704 KQWIHAFWGICYBX-CTTWBBHYSA-N 310.309 2.152 5 50 DEBA CC(C)(CNc1ccc2cc(F)cc([N+](=O)[O-])c2n1)C(N)=O 170610839 WDLRSOYTFFKWAG-UHFFFAOYSA-N 306.297 2.206 5 50 DEBA O=[N+]([O-])c1ccccc1OC[C@@H](O)Cn1cnc2ccccc21 36212 KGCOFYDSFUOELW-LBPRGKRZSA-N 313.313 2.384 5 50 DEBA Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 170605135 APMWIVNOPOAKLL-VNQPRFMTSA-N 309.325 2.245 5 50 DEBA Nc1cc2n(n1)CCCN(c1ccc3ncccc3c1[N+](=O)[O-])C2 1616038076 SIRBWVMBLNHNHQ-UHFFFAOYSA-N 324.344 2.332 5 50 DEBA O=[N+]([O-])c1ccccc1OCCN1CCCC[C@H]1[C@H]1CCNC1 420401644 PMEAXDLHPBNDAQ-GJZGRUSLSA-N 319.405 2.438 5 50 DEBA C[C@@H]1CCc2cc(F)ccc2N1C(=O)Cn1cc([N+](=O)[O-])cn1 998875 MPHGRGSUYWIERB-SNVBAGLBSA-N 318.308 2.298 5 50 DEBA O=C1CC[C@H]([N+](=O)[O-])[C@H](c2cc(Br)ccc2F)N1 90337 COABYOWXAKKPPG-ONGXEEELSA-N 317.114 2.185 5 50 DEBA CCOC(=O)c1csc(NC(=O)c2ccc([N+](=O)[O-])cc2)n1 126793 UJBTXAJPYZQBTM-UHFFFAOYSA-N 321.314 2.480 5 50 DEBA O=[N+]([O-])c1ccccc1-c1cnn(C[C@H](O)C(F)(F)F)c1 158520891 VYRVMJMJHGERAY-NSHDSACASA-N 301.224 2.382 5 50 DEBA COc1ccc([N+](=O)[O-])cc1CNC(=O)N1C[C@H]2[C@H](C1)C2(C)C 175290707 GHWCVMYFRLTDTG-STQMWFEESA-N 319.361 2.401 5 50 DEBA COc1ccccc1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 610763 PNNBKNBAGPVEML-UHFFFAOYSA-N 312.281 2.400 5 50 DEBA Cc1cc([N+](=O)[O-])ccc1NC(=O)Cn1nnc2ccccc21 2325809562 JFYQMEBNFDBFKH-UHFFFAOYSA-N 311.301 2.287 5 50 DEBA COC(=O)c1sc(NC(=O)c2cccc([N+](=O)[O-])c2)nc1C 435967 LUJPTRXYTWIRNH-UHFFFAOYSA-N 321.314 2.399 5 50 DEBA O=C(NCCn1cc([N+](=O)[O-])cn1)C12CC3CC(CC(C3)C1)C2 6828514 HZPZEXVGBVIBFM-UHFFFAOYSA-N 318.377 2.124 5 50 DEBA CN1CCC[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 1775984968 LEUMWXYXJPODMY-GFCCVEGCSA-N 316.361 2.290 5 50 DEBA Cn1c(CCNC(=O)c2ccccc2)nc2cc([N+](=O)[O-])ccc21 4754724 RELGEZNYFQADEG-UHFFFAOYSA-N 324.340 2.454 5 50 DEBA Cc1cc(C(=O)NC(=S)Nc2cccnc2)ccc1[N+](=O)[O-] 455149 IHLRJODRVRDMEV-UHFFFAOYSA-N 316.342 2.425 5 50 DEBA O=C(NC(=S)Nc1cccnc1)c1ccccc1[N+](=O)[O-] 454414 HWTNKQDJSPZLEU-UHFFFAOYSA-N 302.315 2.117 5 50 DEBA C[N@+]1(Cc2cc(O)nc(O)n2)CCc2[nH]c3ccccc3c2C1 253504326 YWMJGBXUYGVISY-OAQYLSRUSA-O 311.365 2.072 5 50 DEBA biogenic Cc1cc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])no1 170611172 JWWQBNFGHJSDQN-UHFFFAOYSA-N 311.319 2.309 5 50 DEBA CCN(CC)CCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 2829447 IGRXEEOVDCTDNH-DHZHZOJOSA-N 305.378 2.456 5 50 DEBA O=C(CN1C2=NCCN2c2ccccc21)c1ccc([N+](=O)[O-])cc1 100450032 OBCNXSRJTXSESI-UHFFFAOYSA-N 322.324 2.474 5 50 DEBA O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 216254718 GSDBCHAEOYYDKA-WTTBSCSTSA-N 302.286 2.056 5 50 DEBA Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)Cc1cnn(C)c1 156078741 ZGFFSZXZSKOSFW-UHFFFAOYSA-N 303.322 2.301 5 50 DEBA CN(C(=O)c1c([N+](=O)[O-])cnn1C)C12CC3CC(CC(C3)C1)C2 4652508 GRQLUYJTXURCIB-UHFFFAOYSA-N 318.377 2.369 5 50 DEBA O=C(CSc1cnn[nH]1)Nc1ccc([N+](=O)[O-])cc1Cl 177365676 IOWSCGVFGHJOBK-UHFFFAOYSA-N 313.726 2.097 5 50 DEBA CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](O)[C@H](C)C2)c1 166950452 IGDVRPACGBVCLI-NOZJJQNGSA-N 310.375 2.160 5 50 DEBA O=[N+]([O-])c1ccccc1CN1CCN(Cc2ccncc2)CC1 178653 GDNLQFCVGQXVQE-UHFFFAOYSA-N 312.373 2.308 5 50 DEBA Cn1ccnc1[C@@H](O)[C@H]1CCCN(c2ccccc2[N+](=O)[O-])C1 269341047 GZUNWUFXTCBSJW-WFASDCNBSA-N 316.361 2.278 5 50 DEBA Cc1ccnc(NC2CCN(C3CCOCC3)CC2)c1[N+](=O)[O-] 585092837 PVXCTGGKHYBEAG-UHFFFAOYSA-N 320.393 2.354 5 50 DEBA COC(=O)C1=C(C)N(C)C(=O)N(C)[C@H]1c1cccc([N+](=O)[O-])c1 193957 SARRFWRZHOHKDX-ZDUSSCGKSA-N 319.317 2.080 5 50 DEBA NC(=O)c1ccccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 14007949 CIPQJMMUCYHTME-CMDGGOBGSA-N 311.297 2.346 5 50 DEBA CN(C)C(=O)CCCn1ncc2cc([N+](=O)[O-])cc(Cl)c21 225624550 BOLIZXFPFLGPPX-UHFFFAOYSA-N 310.741 2.466 5 50 DEBA Cc1cc(C(=O)NCc2c(C)nn(C)c2C)ccc1[N+](=O)[O-] 484456 YBFQYELWNJQBPC-UHFFFAOYSA-N 302.334 2.184 5 50 DEBA O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H]1Cn1ccnc1 177810815 YMKFSTCAYDUCRR-GFCCVEGCSA-N 318.308 2.235 5 50 DEBA O=C(NC[C@@H]1CCCO1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 4840731 LOOAKKZGLMVYCI-ZDUSSCGKSA-N 319.361 2.104 5 50 DEBA CC1(C)CC(=O)[C@@H]([C@H](O)c2ccc([N+](=O)[O-])cc2)C(C)(C)N1 4785680 JILSLUDMEKLBRA-UONOGXRCSA-N 306.362 2.364 5 50 DEBA Cc1cc(OCCCCN2CCN(C)CC2)ccc1[N+](=O)[O-] 3000636 CFVMLSFMCBVJIX-UHFFFAOYSA-N 307.394 2.310 5 50 DEBA CC1=NN(C(=O)c2cccc([N+](=O)[O-])c2)[C@](O)(C(F)(F)F)C1 108307 YKADATANCUZQMD-LLVKDONJSA-N 317.223 2.068 5 50 DEBA O=C(NC[C@@H]1COc2ccccc2O1)c1ccc([N+](=O)[O-])cc1 2296369 XXMDQUAYDKDJOT-CYBMUJFWSA-N 314.297 2.165 5 50 DEBA O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1c1ccccc1[N+](=O)[O-])[C@@H]1C[C@@H]31 245226715 JEBWFSNKIKHTIJ-XQLQCCRHSA-N 310.309 2.152 5 50 DEBA Nc1cc(F)cc(COC(=O)CC[C@H]2CCOC2)c1[N+](=O)[O-] 888093053 ZYKIPODIGIVELW-VIFPVBQESA-N 312.297 2.176 5 50 DEBA O=C(Cn1ccc([N+](=O)[O-])n1)Nc1nc2ccccc2s1 1428836 GAKMVZAJVAODES-UHFFFAOYSA-N 303.303 2.040 5 50 DEBA O=C(C1CCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4619194 AUVVPRFXFVXDAA-UHFFFAOYSA-N 303.362 2.434 5 50 DEBA Cc1ccnc(NC2CCN(c3nccn3C)CC2)c1[N+](=O)[O-] 170613076 FVVLQSHCKOIEBV-UHFFFAOYSA-N 316.365 2.113 5 50 DEBA O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1O)c1cccs1 35864427 HVSCGWAHBIMCGF-UHFFFAOYSA-N 323.355 2.489 5 50 DEBA CC(C)(CNC(=O)c1cnc(O)c([N+](=O)[O-])c1)c1ccccc1 170600183 YEGBKSYGVWFGIL-UHFFFAOYSA-N 315.329 2.403 5 50 DEBA COCCCN1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O 3898202 XRSFXXKSPNOGOZ-UHFFFAOYSA-N 314.297 2.381 5 50 DEBA O=C(O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 100537713 CARARMWAMTUKGH-NGERZBJRSA-N 304.302 2.280 5 50 DEBA CN(C)[C@H](CNc1cc(F)ccc1[N+](=O)[O-])c1cnn(C)c1 302825111 YFTRRPNLUZMZBS-CQSZACIVSA-N 307.329 2.182 5 50 DEBA CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2C)C1 456043 KWJGRQPFEQDFKY-GFCCVEGCSA-N 320.345 2.319 5 50 DEBA COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 860249 WCKIQGDZDANVDD-GFCCVEGCSA-N 308.334 2.221 5 50 DEBA Cn1cc([C@@H]2CN(c3ncccc3[N+](=O)[O-])CC2(C)C)cn1 585092215 JVMMSWXMVBKTDD-LBPRGKRZSA-N 301.350 2.353 5 50 DEBA O=C(O)/C(=C\c1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1 5061504 FDEXOECUQJOETC-NTEUORMPSA-N 312.281 2.450 5 50 DEBA CCn1cc(CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c(C)n1 1055375 NASRIRNTAUAFJZ-UHFFFAOYSA-N 318.333 2.058 5 50 DEBA CCc1cc(-c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)n[nH]1 328593747 DLNUWZVHOBBIDS-UHFFFAOYSA-N 300.278 2.180 5 50 DEBA CCOc1ccc(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)cc1 355611 BROJYUUFSGQZOD-UHFFFAOYSA-N 304.306 2.288 5 50 DEBA Cn1[nH]c([C@@H]2CCCN2c2ccc(Cl)cc2[N+](=O)[O-])nc1=N 408522968 FRDCWHOCJOTMPT-JTQLQIEISA-N 322.756 2.131 5 50 DEBA COC(=O)c1cc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc([N+](=O)[O-])c1 183868 LCDWCJXQTCJFOO-GHMZBOCLSA-N 320.345 2.500 5 50 DEBA Cc1[nH]c2ccccc2c1/C=C\c1nc(O)[nH]c(=O)c1[N+](=O)[O-] 32690723 QLMOMCRZNLCDDS-SREVYHEPSA-N 312.285 2.344 5 50 DEBA CC[N+](CC)(CC)C[C@@H](O)Cn1c(=O)sc2ccccc21 405488 PYYYWBHWIQXCOR-ZDUSSCGKSA-N 309.455 2.300 5 50 DEBA Nc1cccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)c1 448514 HZQBEZHTQOYYLA-UHFFFAOYSA-N 300.270 2.217 5 50 DEBA COc1ncnc(Nc2ccc(NC(C)=O)cc2)c1[N+](=O)[O-] 4117084 CFYKZAJOOSGFCE-UHFFFAOYSA-N 303.278 2.095 5 50 DEBA CCOC(=O)C(=CNc1cccc([N+](=O)[O-])c1)C(=O)OCC 100330659 VNKXJOYRWHAQGB-UHFFFAOYSA-N 308.290 2.017 5 50 DEBA Cc1ccc(/C=C(/NC(=O)c2cccc([N+](=O)[O-])c2)C(=O)O)o1 22135325 POVSKZWNKVQOET-MDWZMJQESA-N 316.269 2.352 5 50 DEBA CN1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 4013893 WDTGICOJIRJONX-UHFFFAOYSA-N 300.156 2.109 5 50 DEBA COc1ccc2c3c1O[C@H]1[C@H](O)C=C[C@@H](CC[N+](C)(C)C2)[C@H]31 1772492938 AKJAUQPVWVZPQX-IYDIDCQVSA-N 302.394 2.067 5 50 DEBA O=C(OC[C@@H](O)COc1ccccc1)c1ccc([N+](=O)[O-])cc1 4016538 FRWJCEAPBMMECH-AWEZNQCLSA-N 317.297 2.192 5 50 DEBA NC1(CNc2ncc([N+](=O)[O-])cc2Br)CCC1 236198527 QTDNFHMIWJTLHI-UHFFFAOYSA-N 301.144 2.046 5 50 DEBA O=C1c2ccc([N+](=O)[O-])cc2N=C2N(c3ccccc3)CC[C@@]12O 36377251 VIMYHNYWFMRDKQ-QGZVFWFLSA-N 323.308 2.463 5 50 DEBA in-vitro CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@](C)(O)C1 281877433 FWXVQPKEFODWES-HNNXBMFYSA-N 323.349 2.372 5 50 DEBA Cc1[nH]nc2ncc(C(=O)N3CCc4c3cccc4[N+](=O)[O-])cc12 172360285 QVHOUQBVEKOSMI-UHFFFAOYSA-N 323.312 2.377 5 50 DEBA Cc1ccc(CN2CCC[C@H](n3cncn3)C2)cc1[N+](=O)[O-] 179465912 HTFJNNWBPDGXMF-AWEZNQCLSA-N 301.350 2.332 5 50 DEBA O=C1[C@@H]2[C@@H](C(=O)N1c1cccc([N+](=O)[O-])c1)[C@H]1C=C[C@H]2C12CC2 239274893 AVTTZUXWWZWWCH-MQYQWHSLSA-N 310.309 2.296 5 50 DEBA O=[N+]([O-])c1cccnc1N1CCN(c2ccccc2F)CC1 20405582 YWLSUMTXCMHDMK-UHFFFAOYSA-N 302.309 2.456 5 50 DEBA O=[N+]([O-])c1cnc(NC[C@@H]2CCN(CC(F)(F)F)C2)s1 170603985 URRUYTNHXDOPDD-ZETCQYMHSA-N 310.301 2.347 5 50 DEBA COC(Cc1ccn(CCOc2cccc([N+](=O)[O-])c2)n1)OC 1776006236 QACHUPSMPSLHQT-UHFFFAOYSA-N 321.333 2.032 5 50 DEBA C[N+](C)(C)C[B-](c1ccccc1)(c1ccccc1)c1ccccc1 169838944 PVECIUKKJMPHMD-UHFFFAOYSA-N 315.269 2.402 5 50 DEBA CCOc1ccccc1NC(=O)Cn1nc([N+](=O)[O-])cc1C 1428844 QMZJTDUHRVJKRK-UHFFFAOYSA-N 304.306 2.137 5 50 DEBA CS[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@H]1N(C)C 252517938 VKKQEKNUJYYBPO-GHMZBOCLSA-N 316.814 2.125 5 50 DEBA Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c(O)n1 170594665 HJKBUQSJBJDMCB-UHFFFAOYSA-N 303.274 2.021 5 50 DEBA O=C(O)COn1c(-c2ccccc2)nc2ccc([N+](=O)[O-])cc21 2508524 OUDJMDZZHKVBNB-UHFFFAOYSA-N 313.269 2.125 5 50 DEBA CC(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 170021260 LZIAWIGVIOHRDE-SMDDNHRTSA-N 308.334 2.091 5 50 DEBA O=C1C[C@H](CNc2ncc(Cl)cc2[N+](=O)[O-])CN1C1CC1 253425599 HLFBSHFAAOGHEH-MRVPVSSYSA-N 310.741 2.066 5 50 DEBA O=[N+]([O-])c1cccnc1N1CCN(c2ccc(F)cc2)CC1 19911353 BMESPRMLRMHGFD-UHFFFAOYSA-N 302.309 2.456 5 50 DEBA CCOC(=O)c1c(OCC)nc2cc([N+](=O)[O-])ccc2c1O 514266455 TWKAFMDCPHSXKS-UHFFFAOYSA-N 306.274 2.424 5 50 DEBA COc1cc(NC[C@@H](O)c2ccncc2)c([N+](=O)[O-])cc1OC 585132568 AHFQZLSBUNXPGH-CYBMUJFWSA-N 319.317 2.153 5 50 DEBA O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCn1cnnc1 381127725 GLRIPIPFXYSNNY-UHFFFAOYSA-N 301.228 2.317 5 50 DEBA COc1cc(N2CCC(Cn3cncn3)CC2)ccc1[N+](=O)[O-] 275011678 JLHOBALEJTVPLM-UHFFFAOYSA-N 317.349 2.112 5 50 DEBA Nc1nccc([C@H]2CCCN(c3ccc([N+](=O)[O-])cc3F)C2)n1 170616226 ZIPJMZYTOHMKBT-JTQLQIEISA-N 317.324 2.490 5 50 DEBA CN1CCCN(Cc2c([N+](=O)[O-])ncn2C)c2ccccc21 170016089 JHHUFCFCBQKZNR-UHFFFAOYSA-N 301.350 2.175 5 50 DEBA Cc1ccc(S(=O)(=O)n2cnc3ccccc32)cc1[N+](=O)[O-] 509279 FUSPCTIPVUPKAW-UHFFFAOYSA-N 317.326 2.490 5 50 DEBA CCc1nnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)o1 611823 OIOLWBKYTMZTHP-UHFFFAOYSA-N 308.319 2.271 5 50 DEBA C[C@H](N)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 170684752 JVVQEURXHBJNNT-JTQLQIEISA-N 321.358 2.415 5 50 DEBA COC(=O)c1c(C)ccc(NC(=O)C(F)(F)F)c1[N+](=O)[O-] 616568064 CKHXDAGHQHNGMB-UHFFFAOYSA-N 306.196 2.191 5 50 DEBA Cc1coc2c1C(=O)N(CCc1ccccc1[N+](=O)[O-])C(=O)C2 952992986 JQHKSUGFOAQMSI-UHFFFAOYSA-N 314.297 2.264 5 50 DEBA Cc1cc(NC[C@@H]2CC(C(F)(F)F)=NO2)ncc1[N+](=O)[O-] 952963778 KJMQERWDLGPLSI-ZETCQYMHSA-N 304.228 2.417 5 50 DEBA O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccccc1C(F)(F)F 4809827 GLMVKRZKTFMLHV-UHFFFAOYSA-N 314.223 2.449 5 50 DEBA CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 229425473 DUGLLFRVBKABPX-BWFKNJDFSA-N 324.402 2.404 5 50 DEBA O=[N+]([O-])c1ccc(CSc2nc(O)c3nc[nH]c3n2)cc1 10003409 WHKVCAGKGQNACH-UHFFFAOYSA-N 303.303 2.259 5 50 DEBA CCC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cc2C(C)=O)C1 225822476 XEIGNZFLYXUULC-NSHDSACASA-N 305.334 2.220 5 50 DEBA Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@H](O)[C@H](C)C1 225611424 MBYDJHUFLGVVJW-MFKMUULPSA-N 307.350 2.446 5 50 DEBA CSc1ccc(C(=O)N[C@H](C)[C@H]2CCOC2)cc1[N+](=O)[O-] 225415881 CCIDRRLBQLTGEG-KOLCDFICSA-N 310.375 2.472 5 50 DEBA O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 101716008 FEJDYDOXAGLJBF-VLIVSTDHSA-N 320.276 2.195 5 50 DEBA CC1(C)C[C@H](NC(=O)c2ccc(O)c([N+](=O)[O-])c2)C(C)(C)O1 119766695 QGTJJYOWWLOPPD-LBPRGKRZSA-N 308.334 2.376 5 50 DEBA CNc1ccc(Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)cn1 302603173 CPBPJTGCZHDRAS-UHFFFAOYSA-N 322.346 2.179 5 50 DEBA COC(=O)[C@]1(C)[C@H](c2ccc(C)cc2)[C@@H]([N+](=O)[O-])[C@@H]2CCCN21 643919611 KCZDAYGAROCAGL-IVSAIRAKSA-N 318.373 2.134 5 50 DEBA COc1cc(OC)cc(C(=O)Nc2ccc([N+](=O)[O-])c(N)c2)c1 6288857 QMXFBUZKTVPDQC-UHFFFAOYSA-N 317.301 2.447 5 50 DEBA O=C(O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1C(F)(F)F 57703 FGHNILTUXGDLKS-UHFFFAOYSA-N 301.180 2.498 5 50 DEBA in-vitro NC(=O)c1ccccc1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 3880410 LOSJMJDUEAVSRL-UHFFFAOYSA-N 302.246 2.346 5 50 DEBA C[C@H](NC[C@@H](C)N1CCOC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 221896628 BWIDYRLXNOAYNM-RDBSUJKOSA-N 307.394 2.355 5 50 DEBA O=C(Cc1nc2ccc([N+](=O)[O-])cc2nc1O)c1ccncc1 18057753 WFSYDFPDASZSJA-UHFFFAOYSA-N 310.269 2.064 5 50 DEBA CCCc1nnn2c1SCC(c1ccc([N+](=O)[O-])cc1)=N2 4528503 IAPKIKFJJNPVJL-UHFFFAOYSA-N 303.347 2.497 5 50 DEBA CC(C)(C)C(=O)/N=c1\sc([N+](=O)[O-])cn1Cc1ccncc1 96027572 VJGOXUKGPDFDFU-SSZFMOIBSA-N 320.374 2.375 5 50 DEBA O=c1oc2ccccc2c(NCCN2CCCC2)c1[N+](=O)[O-] 4866389 VQWQYFKQPDSZCQ-UHFFFAOYSA-N 303.318 2.209 5 50 DEBA C[C@@H](Cn1cc([N+](=O)[O-])cn1)C(=O)Nc1ccc(F)c(F)c1 2794591 AYKCHRZXOZURBY-QMMMGPOBSA-N 310.260 2.344 5 50 DEBA COc1ccc([N+](=O)[O-])cc1NC(=S)NC[C@@H]1CCCO1 5041571 CALZYYKKNNHCKW-JTQLQIEISA-N 311.363 2.069 5 50 DEBA Cc1nc(N2CCOCC2)nc(Nc2ccccc2)c1[N+](=O)[O-] 5853006 CYTAJIHDVZTNRC-UHFFFAOYSA-N 315.333 2.273 5 50 DEBA CC1=NN(C(=O)c2ccccc2[N+](=O)[O-])[C@](O)(C(F)(F)F)C1 62392 SYELVRFJLAQWJI-LLVKDONJSA-N 317.223 2.068 5 50 DEBA O=[N+]([O-])c1ccc(N2CCOCC2)cc1NCc1cccnc1 4183639 OVLYFSKVNHAJIL-UHFFFAOYSA-N 314.345 2.439 5 50 DEBA O=[N+]([O-])c1ccc(NCCCN2CCOCC2)c2cccnc12 19346416 OSSFBXJGCMEXJP-UHFFFAOYSA-N 316.361 2.277 5 50 DEBA CCOC(=O)C1=C(C)NC(=O)C[C@H]1c1cccc([N+](=O)[O-])c1 256322 QCUWAWAFSOAOLT-LBPRGKRZSA-N 304.302 2.035 5 50 DEBA Cc1cccc(N2CCN(c3[nH]ncc3[N+](=O)[O-])CC2)c1C 6401457 XMPHHVWVXLSBFD-UHFFFAOYSA-N 301.350 2.261 5 50 DEBA CCn1ncc([N+](=O)[O-])c1C(=O)NCc1ccc(Cl)cc1 800696 MYJCYOUKXMUKGJ-UHFFFAOYSA-N 308.725 2.395 5 50 DEBA O=c1[nH]c(O)nc(/C=C/c2c(F)cccc2Cl)c1[N+](=O)[O-] 4501646 QUAVYQNTSIDDLR-SNAWJCMRSA-N 311.656 2.347 5 50 DEBA Cc1nn(CCCC(=O)Nc2nccs2)c(C)c1[N+](=O)[O-] 1432082 OLDSBAXQYVNHAW-UHFFFAOYSA-N 309.351 2.284 5 50 DEBA O=[N+]([O-])c1ccc(N2[C@H]3CCCC[C@]32N2CCOCC2)cc1 216514307 VRHUNKAVTYHKJL-SWQDIRLTSA-N 303.362 2.386 5 50 DEBA C[C@@H](CO[C@@H]1CCOC1)Nc1ncc(Cl)cc1[N+](=O)[O-] 153932187 LFIDFYCWJAACJJ-WCBMZHEXSA-N 301.730 2.249 5 50 DEBA O=[N+]([O-])c1cccc(S(=O)(=O)NCCc2ccccc2)c1 4957261 BCJUSNQGZOVQHH-UHFFFAOYSA-N 306.343 2.116 5 50 DEBA O=[N+]([O-])c1ccccc1S(=O)(=O)NCCc1ccc(F)cc1 302781 UDLWBPHFWVIHMK-UHFFFAOYSA-N 324.333 2.255 5 50 DEBA O=c1c2nn3c(nc2ccn1Cc1ccco1)nc1ccccc13 675020011 VIDMHNYJIYUERU-UHFFFAOYSA-N 317.308 2.234 5 50 DEBA CC(C)(C)OC(=O)N[C@@H](Cc1cccc([N+](=O)[O-])c1)C(=O)O 2243998 OWTGPXDXLMNQKK-NSHDSACASA-N 310.306 2.115 5 50 DEBA in-vitro CN1CCN(c2cc(N3CCCCC3)c([N+](=O)[O-])cc2F)CC1 4819009 OHHVQAPGNBERKH-UHFFFAOYSA-N 322.384 2.476 5 50 DEBA COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]3CC[C@@H](C2)N3C)c1 221779931 KWUSCKMSKFCIFU-OLZOCXBDSA-N 319.361 2.054 5 50 DEBA CCc1nn(C)c(NCc2ccc3nc[nH]c3c2)c1[N+](=O)[O-] 585117981 LSCLQHFNTPUENT-UHFFFAOYSA-N 300.322 2.379 5 50 DEBA O=[N+]([O-])c1cccnc1N1CCN(c2cccc3nc[nH]c23)CC1 1775985617 RWORGSMFBSWHAN-UHFFFAOYSA-N 324.344 2.193 5 50 DEBA O=C(C[C@]1(O)C(=O)Nc2ccccc21)c1ccccc1[N+](=O)[O-] 458741 TULHRGGKLQRKJB-MRXNPFEDSA-N 312.281 2.008 5 50 DEBA CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](O)[C@@H](C)C2)c1 166950351 IGDVRPACGBVCLI-ZANVPECISA-N 310.375 2.160 5 50 DEBA Cc1cc(C)n(C(=O)CCCn2nc(C)c([N+](=O)[O-])c2C)n1 1429867 WZHXRDJWOASODR-UHFFFAOYSA-N 305.338 2.342 5 50 DEBA O=C(Nc1ccc(Cl)cn1)c1n[nH]c([N+](=O)[O-])c1Cl 4631381 GZYCBZSDFKQIKW-UHFFFAOYSA-N 302.077 2.272 5 50 DEBA CCNC(=O)C(C)(C)CNc1c(F)cc([N+](=O)[O-])cc1F 121789618 ZIBNLOSJVNDNPT-UHFFFAOYSA-N 301.293 2.447 5 50 DEBA O=C1[C@@H]2[C@H](C(=O)N1c1cccc([N+](=O)[O-])c1)[C@H]1C=C[C@H]2C12CC2 239274894 AVTTZUXWWZWWCH-SYQHCUMBSA-N 310.309 2.296 5 50 DEBA O=C(OCc1ccccc1[N+](=O)[O-])c1cnc2n1CCCC2 170616625 GMCYTVCXYRCOSJ-UHFFFAOYSA-N 301.302 2.485 5 50 DEBA O=[N+]([O-])c1ccc(NC[C@H]2CCCO2)nc1NC[C@H]1CCCO1 170610828 WXFDQWCDZAKPJI-VXGBXAGGSA-N 322.365 2.172 5 50 DEBA CCc1c(O)nc(SCc2ccc([N+](=O)[O-])cc2)[nH]c1=O 10059014 ASQKRGAMRDBMAD-UHFFFAOYSA-N 307.331 2.238 5 50 DEBA Cc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 183360 AYMQSUBRUMQHCD-UHFFFAOYSA-N 306.343 2.382 5 50 DEBA O=C(NC(=S)Nc1ccc(O)cc1)c1ccccc1[N+](=O)[O-] 587248 DQYLTZNTTFCAIL-UHFFFAOYSA-N 317.326 2.427 5 50 DEBA CC[C@H](C)N(C)CCNC(=O)N1CCc2cc([N+](=O)[O-])ccc21 225384127 PEXDYOCYQZOEFL-LBPRGKRZSA-N 320.393 2.397 5 50 DEBA CC[C@H](NC(=O)c1c(C)cccc1[N+](=O)[O-])c1noc(C)n1 225591707 BUMHOXZWDMUZER-JTQLQIEISA-N 304.306 2.476 5 50 DEBA COC(=O)c1cc(CNc2cc(N)ccc2[N+](=O)[O-])oc1C 193383574 YGKJDQOONPQRGX-UHFFFAOYSA-N 305.290 2.477 5 50 DEBA O=C(CCN1CCO[C@@H]2CCC[C@H]21)Nc1cccc([N+](=O)[O-])c1 230132483 ZCQHQSSGEPUYTB-HUUCEWRRSA-N 319.361 2.177 5 50 DEBA Cc1nn(CC(=O)Nc2cc(F)ccc2F)c(C)c1[N+](=O)[O-] 2884388 HIZLMWYXSFENTH-UHFFFAOYSA-N 310.260 2.325 5 50 DEBA CCn1c(C)nc([N+](=O)[O-])c1Nc1c(C)nn(CCOC)c1C 288868581 LQSXIOBIYLHDIC-UHFFFAOYSA-N 322.369 2.323 5 50 DEBA CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 457040 JADSCBCIRYWNKX-ZDUSSCGKSA-N 320.345 2.319 5 50 DEBA Cc1c(CNC(=S)Nc2cccc([N+](=O)[O-])c2)cnn1C 612137 NNIPJEJPLROHOL-UHFFFAOYSA-N 305.363 2.123 5 50 DEBA Nc1nc(-c2ccccc2)nn1C(=O)c1cccc([N+](=O)[O-])c1 616148 YSDPMQKSXIKGNI-UHFFFAOYSA-N 309.285 2.124 5 50 DEBA O=C(NC(=S)NCc1ccccc1)c1ccc([N+](=O)[O-])cc1 41824 WQBMJZRGFKGTHK-UHFFFAOYSA-N 315.354 2.399 5 50 DEBA Cc1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1[N+](=O)[O-] 101385850 MOUKOXCKWBXEKL-ZNIXKSQXSA-N 316.313 2.365 5 50 DEBA CC(C)c1[nH]ncc1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 253431080 ZIJXICDLEFKMJQ-UHFFFAOYSA-N 317.349 2.283 5 50 DEBA CC[C@]1(C(=O)N(C)Cc2ccc(OC)c([N+](=O)[O-])c2)CCCN1 170082389 SFQDJBHCBMIDFM-MRXNPFEDSA-N 321.377 2.094 5 50 DEBA CC[C@@H]1CCCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 225538325 QLIJNCXCTGZKPQ-SNVBAGLBSA-N 302.334 2.458 5 50 DEBA Cn1ncc([N+](=O)[O-])c1NC(=O)c1coc(-c2ccccc2)n1 191675947 ZBBXLTFJUZXRQA-UHFFFAOYSA-N 313.273 2.236 5 50 DEBA Cc1ccnc(N2CCN(c3cncc(F)c3)CC2)c1[N+](=O)[O-] 585092364 RTESCSYETJQBSX-UHFFFAOYSA-N 317.324 2.159 5 50 DEBA CN(C)CCCN1C(=O)CS[C@@H]1c1cccc([N+](=O)[O-])c1 31846 JTGAQOPTLOQKIV-CQSZACIVSA-N 309.391 2.121 5 50 DEBA C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1CN1C(=O)[C@@H]2CCC[C@@H]21 241810001 SCJJTUZDFMMJRB-YVLXSGLVSA-N 301.346 2.314 5 50 DEBA C[C@H]1CCSCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 189956864 NQILCPFFPAZWAV-NSHDSACASA-N 310.375 2.328 5 50 DEBA CC1(C)NC(=O)N(CCCCOc2ccccc2[N+](=O)[O-])C1=O 2862733 DCJGYPRKHXZWMI-UHFFFAOYSA-N 321.333 2.084 5 50 DEBA Nc1ccc(NCCOc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 225817576 YAVINIQSQSKYLZ-UHFFFAOYSA-N 317.301 2.397 5 50 DEBA O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1c1ncc[nH]1 242047808 VQHKBEOAUYVNED-ZDUSSCGKSA-N 316.317 2.060 5 50 DEBA COc1ccc([N+](=O)[O-])cc1NC(=S)NC[C@H]1CCCO1 5041572 CALZYYKKNNHCKW-SNVBAGLBSA-N 311.363 2.069 5 50 DEBA O=[N+]([O-])c1ccc(OC[C@@H](O)Cn2cnc3ccccc32)cc1 48647 RFSIVCDTHDPFSO-ZDUSSCGKSA-N 313.313 2.384 5 50 DEBA O=C(Nc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCCCCC1 4703172 JLYZVNSAKYAWGH-UHFFFAOYSA-N 305.334 2.372 5 50 DEBA CCOC(=O)C1CCN(c2ccc(C=O)cc2[N+](=O)[O-])CC1 3883837 IEEHLDTWICBVDM-UHFFFAOYSA-N 306.318 2.187 5 50 DEBA COc1ccc(CNC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1F 164161166 GNUIAXRCZQCNQK-UHFFFAOYSA-N 320.276 2.378 5 50 DEBA CC(C)(C)SCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 2990600 IEJRRVDVWYMZIE-UHFFFAOYSA-N 318.420 2.405 5 50 DEBA CCc1cc(C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)no1 889729504 MUURRPAAAYZLAY-UHFFFAOYSA-N 301.302 2.344 5 50 DEBA CSCC[C@H](Nc1nc(Cl)ccc1[N+](=O)[O-])C(=O)O 4106914 XMTDGNYAPUDQFY-LURJTMIESA-N 305.743 2.261 5 50 DEBA CNc1ccc(C(=O)NCCc2cccc([N+](=O)[O-])c2)cn1 253419603 IHIKWQCTNUNEOK-UHFFFAOYSA-N 300.318 2.004 5 50 DEBA COc1cc(C(=O)Nc2cc(C)on2)c([N+](=O)[O-])cc1OC 455698 RAHHGMGZTFHYPM-UHFFFAOYSA-N 307.262 2.161 5 50 DEBA COC(=O)[C@@H]1[C@@H](OC(C)=O)C=CC[C@@H]1c1ccc([N+](=O)[O-])cc1 4570797 SLBNRWJSUPMDFH-ILXRZTDVSA-N 319.313 2.359 5 50 DEBA NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cc(F)ccc1[N+](=O)[O-] 241170974 KDFOMIYYCVSKNC-YVLXSGLVSA-N 321.352 2.352 5 50 DEBA O=[N+]([O-])c1cccc(OCCOc2nnc3ccccn23)c1 170593866 ULGNVYKAPYXVGI-UHFFFAOYSA-N 300.274 2.095 5 50 DEBA Cc1nn([C@H](C)C(=O)NCc2ccccc2)c(C)c1[N+](=O)[O-] 2883359 MXZOIVFJUICXQI-GFCCVEGCSA-N 302.334 2.286 5 50 DEBA CC1(C)CC(=O)[C@H]([C@H](O)c2ccc([N+](=O)[O-])cc2)C(C)(C)N1 4785679 JILSLUDMEKLBRA-ZIAGYGMSSA-N 306.362 2.364 5 50 DEBA O=C(CNC(=O)C1CCCCC1)Nc1ccc([N+](=O)[O-])cc1 4833988 BXGRTOCBLQCERJ-UHFFFAOYSA-N 305.334 2.230 5 50 DEBA Cc1nn(C)c(C(=O)N[C@H]2CCCc3ccccc32)c1[N+](=O)[O-] 2765859 PKHDHSLDYGRHPS-ZDUSSCGKSA-N 314.345 2.444 5 50 DEBA Cc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c([N+](=O)[O-])c1 239284711 BXVIFRVMCZKCFS-MZUWNQQASA-N 324.336 2.461 5 50 DEBA O=[N+]([O-])c1ccc(N2CC[C@@H](c3nc[nH]n3)C2)c2ncccc12 425280700 HZZURGYCOCWUHM-SNVBAGLBSA-N 310.317 2.255 5 50 DEBA O=[N+]([O-])c1ccc(NCCCN2CCOCC2)c2ncccc12 19346412 MWQJTCFIZPLKNM-UHFFFAOYSA-N 316.361 2.277 5 50 DEBA O=C(Nc1nnc2n1CCCC2)c1ccc([N+](=O)[O-])c(Cl)c1 163748849 XZJWONLUVZOWGJ-UHFFFAOYSA-N 321.724 2.428 5 50 DEBA CN(C)[C@@H](CNc1cc(F)ccc1[N+](=O)[O-])c1cnn(C)c1 302825110 YFTRRPNLUZMZBS-AWEZNQCLSA-N 307.329 2.182 5 50 DEBA Cc1nn(CC(=O)N[C@@H]2[C@@H](C)CCC[C@H]2C)c(C)c1[N+](=O)[O-] 247948529 XOQYCTONSBPXBS-MSRIBSCDSA-N 308.382 2.349 5 50 DEBA CC1(C)NC(=O)N(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1=O 3874498 XWXYUMMDTVBTOU-UHFFFAOYSA-N 317.223 2.448 5 50 DEBA biogenic,fda Cn1cc([C@@H]2C[C@@H](Nc3ncccc3[N+](=O)[O-])CCO2)cn1 585092308 ONCXTJJTOVQOSP-AAEUAGOBSA-N 303.322 2.056 5 50 DEBA Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)NCc1cccs1 196114 YFKDPARAEVCQCC-UHFFFAOYSA-N 314.754 2.131 5 50 DEBA O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCCCC1 4912845 VDPDSSITBTZKOA-UHFFFAOYSA-N 319.361 2.058 5 50 DEBA Cc1c(NC(=O)N2CCC[C@]23CCOC3=O)cccc1[N+](=O)[O-] 188369505 BBTGBBZCPKSXGU-OAHLLOKOSA-N 319.317 2.217 5 50 DEBA COc1cc(C=O)ccc1OCn1nc(C)c([N+](=O)[O-])c1C 2786093 YMGIQDAWLMZTLK-UHFFFAOYSA-N 305.290 2.266 5 50 DEBA CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@](C)(O)C1 281877437 FWXVQPKEFODWES-OAHLLOKOSA-N 323.349 2.372 5 50 DEBA COc1ccc(Cl)cc1/C=C/c1nc(O)[nH]c(=O)c1[N+](=O)[O-] 5034736 PVKYHUBHPIPQIP-DUXPYHPUSA-N 323.692 2.216 5 50 DEBA CCCNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCO1 4858273 ZCHIPAAHHMWPGQ-GFCCVEGCSA-N 307.350 2.326 5 50 DEBA CCN1CCC[C@@H](N(C=O)Cc2ccc(C)c([N+](=O)[O-])c2)C1 1875325880 WOQPXDIVEPCVNO-OAHLLOKOSA-N 305.378 2.346 5 50 DEBA Cc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1[N+](=O)[O-] 239159668 MOUKOXCKWBXEKL-DUBDDPSESA-N 316.313 2.365 5 50 DEBA O=[N+]([O-])c1cc(CN2CCOCC2)ccc1Br 124830702 HKNHDZQLFMPQFM-UHFFFAOYSA-N 301.140 2.190 5 50 DEBA Cc1cc([N+](=O)[O-])cnc1N1CCN(Cc2cncs2)CC1 585132819 XTSSPNBWFVFJTP-UHFFFAOYSA-N 319.390 2.077 5 50 DEBA Cc1nc(NCCc2ccc(O)c(CO)c2)ccc1[N+](=O)[O-] 1458565407 UDVKKOWWXCXSNI-UHFFFAOYSA-N 303.318 2.151 5 50 DEBA COc1ccccc1CNC(=O)Cc1ccccc1[N+](=O)[O-] 183906 LHVFIMKZGDDJEW-UHFFFAOYSA-N 300.314 2.462 5 50 DEBA biogenic COc1ccc(CNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 460996 ZTIHIJSDPGNPMH-UHFFFAOYSA-N 316.313 2.299 5 50 DEBA Cc1c([N+](=O)[O-])c(C(=O)NC23CC4CC(CC(C4)C2)C3)nn1C 4650949 ZEYNVCMWSQOZAS-UHFFFAOYSA-N 318.377 2.335 5 50 DEBA CN1CCN(C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)CC1 70708816 LKSIWQXQFAMVHT-HWKANZROSA-N 309.753 2.035 5 50 DEBA COC(=O)c1cc([N+](=O)[O-])c(Nc2ccccn2)c([N+](=O)[O-])c1 4628660 RIPMEGYLDVQABS-UHFFFAOYSA-N 318.245 2.428 5 50 DEBA O=[N+]([O-])c1cc(Cl)cnc1NCCc1nnc2n1CCCC2 170594628 CJNKBLRVCQRXNM-UHFFFAOYSA-N 322.756 2.226 5 50 DEBA COc1ccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])cc1 183903 YIEPZUATEHKNDZ-UHFFFAOYSA-N 300.314 2.462 5 50 DEBA COC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C 22052861 OIPSJKHEYTWZBQ-LBPRGKRZSA-N 324.333 2.204 5 50 DEBA in-vitro Cn1ncc([N+](=O)[O-])c1NC(=O)Cc1c(F)cccc1Cl 170598544 ZREPJSNIPYVRND-UHFFFAOYSA-N 312.688 2.302 5 50 DEBA CCN(CC)c1cc(N2CCN(C)CC2)c([N+](=O)[O-])cc1F 4574982 WKIDHLFZQMHTGW-UHFFFAOYSA-N 310.373 2.332 5 50 DEBA O=C1C(=O)N(Cc2ccc(F)cc2)c2ccc([N+](=O)[O-])cc21 3909194 TYMADGMJQAUAJN-UHFFFAOYSA-N 300.245 2.463 5 50 DEBA CCOC(=O)C1=C(C)NC(=O)C[C@@H]1c1ccccc1[N+](=O)[O-] 124277 WRPLWVGEIIEMDD-LLVKDONJSA-N 304.302 2.035 5 50 DEBA CC(=O)Oc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 35409473 AEVLVLWUNQLJJA-UHFFFAOYSA-N 316.269 2.478 5 50 DEBA Nc1cc(F)cc(COC(=O)CC[C@@H]2CCOC2)c1[N+](=O)[O-] 888093052 ZYKIPODIGIVELW-SECBINFHSA-N 312.297 2.176 5 50 DEBA CC[S@](=O)[C@H]1CCC[C@H](Nc2c([N+](=O)[O-])c(C)nn2C)C1 301513902 BJBGPXQRZZUKAE-HJTOQOCKSA-N 314.411 2.128 5 50 DEBA O=C(Nc1ccc(O)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3151004 NDCNCZXDIRRHQH-UHFFFAOYSA-N 303.230 2.461 5 50 DEBA O=C(c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)N1CCOCC1 4551461 XNKMVVLDWWVAQR-UHFFFAOYSA-N 319.361 2.058 5 50 DEBA CCc1n[nH]c(SCC(=O)c2ccc(OC)c([N+](=O)[O-])c2)n1 5686688 HEDVOGWCTGVQAV-UHFFFAOYSA-N 322.346 2.259 5 50 DEBA O=[N+]([O-])c1ccccc1S(=O)(=O)NOCc1ccccc1 33981021 HMDOHALMCRHCFZ-UHFFFAOYSA-N 308.315 2.005 5 50 DEBA COC(=O)C1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 463853 AMBFIUHYMXWLGW-QPJJXVBHSA-N 318.329 2.020 5 50 DEBA O=C(O)Cc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 191082 FWTPMDJEVQRKIA-UHFFFAOYSA-N 300.270 2.474 5 50 DEBA CCN(CC)C(=O)[C@H]1CCCN(Cc2ccc([N+](=O)[O-])o2)C1 4977642 GBIAKXKXELRQKI-LBPRGKRZSA-N 309.366 2.268 5 50 DEBA C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[C@H]1O 252671773 OEUVFQSHXHUZOE-MISXGVKJSA-N 324.402 2.353 5 50 DEBA Cc1nc(NC(=O)CCn2ncc([N+](=O)[O-])c2C)sc1C 2802738 TYEWDRFJFWYJER-UHFFFAOYSA-N 309.351 2.202 5 50 DEBA CCc1cnccc1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 241657644 PYASRQPIJDOCBI-UHFFFAOYSA-N 301.302 2.188 5 50 DEBA COc1cccc(N2CCC[C@@H](c3nncn3C)C2)c1[N+](=O)[O-] 170598659 PNWOXWMTUKDMQY-LLVKDONJSA-N 317.349 2.116 5 50 DEBA CC1=NN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@](O)(C(F)(F)F)C1 108299 YKADATANCUZQMD-NSHDSACASA-N 317.223 2.068 5 50 DEBA O=C(c1cc(C(=O)N2CCCC2)cc([N+](=O)[O-])c1)N1CCCC1 124787 IPRDGLHFKHQCBE-UHFFFAOYSA-N 317.345 2.067 5 50 DEBA CSc1ccccc1NC(=O)Cn1nc([N+](=O)[O-])cc1C 196094 QTJAFQGHSPQXFD-UHFFFAOYSA-N 306.347 2.460 5 50 DEBA O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1 319156 MLZNOFWWMPZDPB-UHFFFAOYSA-N 324.333 2.255 5 50 DEBA CC(=O)Nc1c(C)c(Br)cc(C(=O)O)c1[N+](=O)[O-] 4985221 XUFBFNKFASZTHQ-UHFFFAOYSA-N 317.095 2.322 5 50 DEBA COC(=O)C1=C(C)NC(=O)C[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 132133 NMCYFWRVPDQREG-VIFPVBQESA-N 324.720 2.299 5 50 DEBA Cc1nn(Cc2ccc(C(=O)N3CCCC3)o2)c(C)c1[N+](=O)[O-] 2743002 COXRCGPIYMHPKW-UHFFFAOYSA-N 318.333 2.285 5 50 DEBA C[C@H](Cn1cc([N+](=O)[O-])cn1)C(=O)Nc1ccc(F)c(F)c1 2794592 AYKCHRZXOZURBY-MRVPVSSYSA-N 310.260 2.344 5 50 DEBA Cc1cc(N2CCN(c3cc(F)ccc3[N+](=O)[O-])CC2)n[nH]1 253425289 CGCVJRUWDYTXRX-UHFFFAOYSA-N 305.313 2.092 5 50 DEBA Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@@H]21 170605137 APMWIVNOPOAKLL-CWRNSKLLSA-N 309.325 2.245 5 50 DEBA O=C(NC[C@H]1COc2ccccc2O1)c1ccccc1[N+](=O)[O-] 271023 QELAKUZNJWLLNR-NSHDSACASA-N 314.297 2.165 5 50 DEBA C[N+]1(C)CC[C@@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCC2)C1 968301 ANGKOCUUWGHLCE-IEBWSBKVSA-N 318.437 2.456 5 50 DEBA fda O=C(O)[C@@H]1[C@@H](C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)[C@H]2C=C[C@H]1C2 101716012 FEJDYDOXAGLJBF-XMUKKISLSA-N 320.276 2.195 5 50 DEBA CC(C)[C@@H]1OCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1O 156623774 PDCILIQBYQFZMR-HZMBPMFUSA-N 308.334 2.091 5 50 DEBA CCOC(=O)N(CCN(CC)CC)c1ncc([N+](=O)[O-])s1 96027484 YFJZHVJWHFDWFN-UHFFFAOYSA-N 316.383 2.356 5 50 DEBA CCS[C@H]1CCCCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 585130888 FKQCGTVLXMWQRA-NSHDSACASA-N 324.406 2.320 5 50 DEBA O=[N+]([O-])c1cccc(CN2CCN(Cc3ccncc3)CC2)c1 178679 MPLAQPCJHNYZJL-UHFFFAOYSA-N 312.373 2.308 5 50 DEBA Cc1cc([N+](=O)[O-])nn1C[C@H](O)COc1cccc2[nH]ccc12 170594925 IGIYRYXBBJGJFQ-NSHDSACASA-N 316.317 2.021 5 50 DEBA COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1cccnc1 5041592 WWARHFSNRWEMDQ-UHFFFAOYSA-N 302.290 2.320 5 50 DEBA O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](c2ncon2)C1 952883151 RKIXJFODBVNBSJ-MRVPVSSYSA-N 322.708 2.261 5 50 DEBA Cc1cnc(N2CCN([C@H](C)C(F)(F)F)CC2)c([N+](=O)[O-])c1 267257165 VSJWPKKQGJIYMD-SNVBAGLBSA-N 318.299 2.371 5 50 DEBA Cc1cccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n1 3832980 OMRQTMASMDOPSA-UHFFFAOYSA-N 307.331 2.407 5 50 DEBA O=C(O)c1cccc(Nc2c([N+](=O)[O-])cncc2[N+](=O)[O-])c1 4982773 MNYXWPCMJZZEGG-UHFFFAOYSA-N 304.218 2.340 5 50 DEBA O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N2 22015824 IFCZVCSNFOGMGK-UHFFFAOYSA-N 321.270 2.393 5 50 DEBA O=C(Cn1cnc([N+](=O)[O-])n1)Nc1c(Cl)cccc1Cl 109354 JVDSYUMIMUFGGX-UHFFFAOYSA-N 316.104 2.132 5 50 DEBA Cc1nn(CCc2n[nH]c(=S)n2C2CC2)c(C)c1[N+](=O)[O-] 2787841 ADDBUHZNKWUESS-UHFFFAOYSA-N 308.367 2.240 5 50 DEBA Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 239425807 VHKRHDANWAQKGM-JKPJVAMOSA-N 324.336 2.461 5 50 DEBA Cn1ccc(C(=O)N2CCCCc3ccc([N+](=O)[O-])cc32)n1 585114393 JCEUNIZJFFOBCP-UHFFFAOYSA-N 300.318 2.311 5 50 DEBA COC[C@@]1(C(=O)OC)CCCCN1Cc1ccc([N+](=O)[O-])cc1 585133067 QJWHEYXYTBBXFL-MRXNPFEDSA-N 322.361 2.139 5 50 DEBA O=C(Nc1ncc(-c2ccc([N+](=O)[O-])cc2)[nH]1)[C@H]1CCCO1 585130566 VAIUNIZFWJRMMX-GFCCVEGCSA-N 302.290 2.102 5 50 DEBA COC(=O)c1ccccc1NC(=O)Nc1ccc([N+](=O)[O-])cn1 5041733 XFHGHGDWUMCWBP-UHFFFAOYSA-N 316.273 2.420 5 50 DEBA CN1CCC[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 1775984969 LEUMWXYXJPODMY-LBPRGKRZSA-N 316.361 2.290 5 50 DEBA CC[C@@H](C)N(C)CCNC(=O)N1CCc2cc([N+](=O)[O-])ccc21 225384155 PEXDYOCYQZOEFL-GFCCVEGCSA-N 320.393 2.397 5 50 DEBA Cn1nc(I)c2ccc([N+](=O)[O-])cc21 95743279 MBFJQSWNJCSHFD-UHFFFAOYSA-N 303.059 2.086 5 50 DEBA O=C(NCCCn1ccnc1)c1ccc(Cl)cc1[N+](=O)[O-] 2084383 CEEUISPZFGJEGA-UHFFFAOYSA-N 308.725 2.265 5 50 DEBA O=[N+]([O-])c1ccccc1OC[C@H](O)Cn1cnc2ccccc21 36213 KGCOFYDSFUOELW-GFCCVEGCSA-N 313.313 2.384 5 50 DEBA Cc1ccnc(NCCc2nc(C(C)C)nn2C)c1[N+](=O)[O-] 952994405 OWJQGDHGGGBVQX-UHFFFAOYSA-N 304.354 2.205 5 50 DEBA CC1(C)CN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 407993123 LOWSUNBNBZQVRE-INIZCTEOSA-N 322.361 2.070 5 50 DEBA COC(=O)c1cc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc([N+](=O)[O-])c1 13898324 LCDWCJXQTCJFOO-PHIMTYICSA-N 320.345 2.500 5 50 DEBA O=C(NC(=S)Nc1cccc([N+](=O)[O-])c1)c1cccnc1 18191337 DRIBMGCUFOBVAI-UHFFFAOYSA-N 302.315 2.117 5 50 DEBA O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCc1cccnc1 3880215 IFIAYXKKGYKTGN-UHFFFAOYSA-N 318.245 2.208 5 50 DEBA Cc1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)co1 4844701 XYLUSPCVEHBNMU-UHFFFAOYSA-N 315.329 2.459 5 50 DEBA CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)n1 2102475 YWRZJDQKMFDOLC-UHFFFAOYSA-N 323.240 2.111 5 50 DEBA O=c1c2ccccc2ncn1CCOc1ccccc1[N+](=O)[O-] 614150 BXYRKIPKEIWXTI-UHFFFAOYSA-N 311.297 2.384 5 50 DEBA O=C(O)C1=CCC=C[C@H]1Nc1cc([N+](=O)[O-])ccc1C(=O)O 3051817 MVCPAQYLBVWUFK-LLVKDONJSA-N 304.258 2.044 5 50 DEBA C[C@H](CS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCCCC1 4755756 HFYINWQZOJQTAP-GFCCVEGCSA-N 312.391 2.243 5 50 DEBA Cc1cc(NC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)no1 12446680 BOGAKZJYTZTHTM-UHFFFAOYSA-N 314.257 2.194 5 50 DEBA COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 198659 PGNXXIOBJLPXFL-UHFFFAOYSA-N 308.315 2.404 5 50 DEBA CCOC(=O)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 456949 MRIZFUFAZORMJJ-LBPRGKRZSA-N 306.318 2.010 5 50 DEBA COC(=O)c1ccc(OC[C@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1 253425923 WMJKFBIXUGGLNZ-DGCLKSJQSA-N 309.318 2.311 5 50 DEBA CSc1ccc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])cc1 5068608 PZODZXVQJUWEJQ-QPJJXVBHSA-N 305.315 2.276 5 50 DEBA Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccccc1 4701025 VGKVKKDHGBEGME-UHFFFAOYSA-N 306.343 2.382 5 50 DEBA O=[N+]([O-])c1ccc(N(CCO)Cc2ccccc2)c2nonc12 22589888 NBRKKLLSLFQUAF-UHFFFAOYSA-N 314.301 2.130 5 50 DEBA CCOc1ccccc1NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C 356040 POGLNHCAMOYIFO-UHFFFAOYSA-N 318.333 2.446 5 50 DEBA O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCOC2(CCCCC2)C1 170005752 JVGUYZXXSKNVIG-UHFFFAOYSA-N 320.345 2.476 5 50 DEBA Cc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1[N+](=O)[O-] 239159669 MOUKOXCKWBXEKL-TXFQPVFDSA-N 316.313 2.365 5 50 DEBA COC(CNc1ccc([N+](=O)[O-])cc1Br)OC 4052073 PUCMTYJCAKEHIE-UHFFFAOYSA-N 305.128 2.388 5 50 DEBA COC(=O)c1cnc(NCC2CCSCC2)c([N+](=O)[O-])c1 276821381 UCSFEUCVNKYHCU-UHFFFAOYSA-N 311.363 2.332 5 50 DEBA Cc1ccnc(N2CCN(c3nccs3)CC2)c1[N+](=O)[O-] 301280358 JTVULPPKKRMGSX-UHFFFAOYSA-N 305.363 2.081 5 50 DEBA O=C(N[C@@H]1CCOC1)c1cc([N+](=O)[O-])cc(Cl)c1Cl 170615901 RBPSARLYBBBJEZ-ZCFIWIBFSA-N 305.117 2.420 5 50 DEBA O=[N+]([O-])c1cnc(N[C@@H](c2ccccc2)c2nnc[nH]2)s1 253395227 OTHZBUAZRQVJFZ-JTQLQIEISA-N 302.319 2.371 5 50 DEBA CC(C)NC(=O)c1ccc(N2C[C@@H]3CC[C@H](C2)O3)c([N+](=O)[O-])c1 374090410 CGSROYFGJWZQLH-BETUJISGSA-N 319.361 2.101 5 50 DEBA O=C(CNC(=O)c1ccccc1)OCc1cccc([N+](=O)[O-])c1 467148 QHGAQWWVRNFOSR-UHFFFAOYSA-N 314.297 2.068 5 50 DEBA COC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2cc(C)nn12 13645542 QSRJTADZXGVJSH-UHFFFAOYSA-N 312.285 2.400 5 50 DEBA COc1ccccc1[C@@H](O)CNc1ncc(C)cc1[N+](=O)[O-] 172807522 CLUPCTQDNPKCCC-ZDUSSCGKSA-N 303.318 2.452 5 50 DEBA Cc1cc(N2C[C@H](C)OC3(CCOCC3)C2)ncc1[N+](=O)[O-] 240668130 HMMIKTFOPNYJBY-LBPRGKRZSA-N 307.350 2.073 5 50 DEBA CCOC(=O)/C(CC)=C(\C)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 100453860 KPECZIGQNTYJBH-GOFCXVBSSA-N 322.361 2.465 5 50 DEBA COCn1cc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)cn1 6274811 WVFWMSCCZMKEMY-UHFFFAOYSA-N 307.335 2.204 5 50 DEBA O=C(NC(=O)c1ccccc1)Nc1cc([N+](=O)[O-])ccc1O 97756636 VKHWJCSMOPGTDP-UHFFFAOYSA-N 301.258 2.262 5 50 DEBA CC(CO)(CO)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 393877785 WULMYMMWTKXBSA-UHFFFAOYSA-N 308.256 2.016 5 50 DEBA Cc1ccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)nc1 458959 AVQXJEWCKYEICA-UHFFFAOYSA-N 316.342 2.425 5 50 DEBA CC(C)(C)OC(=O)C[C@@H]1CCCCN1c1ncc([N+](=O)[O-])cn1 585117942 FLIWSPLYXBSQHZ-NSHDSACASA-N 322.365 2.476 5 50 DEBA CC1=NN(C(=O)c2ccccc2[N+](=O)[O-])[C@@](O)(C(F)(F)F)C1 62391 SYELVRFJLAQWJI-NSHDSACASA-N 317.223 2.068 5 50 DEBA CC(C)CCN[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)O 2852990 MCRCCKWYUKEKDQ-ZDUSSCGKSA-N 323.349 2.012 5 50 DEBA CN(C)C(=O)OCCn1ncc2cc([N+](=O)[O-])cc(Cl)c21 131261520 DFVRNPDKYBRKIZ-UHFFFAOYSA-N 312.713 2.296 5 50 DEBA Cc1cc(N)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 725373829 XPHHBLPWEYRBBH-UHFFFAOYSA-N 307.331 2.286 5 50 DEBA Cc1cc([N+](=O)[O-])cnc1NC1CCN(c2cccnn2)CC1 277008499 ITSKKRUEWSMDFM-UHFFFAOYSA-N 314.349 2.169 5 50 DEBA CC1(C)CC(=O)[C@H]([C@@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)N1 4785600 RAWHSNLAWGRMQI-KGLIPLIRSA-N 306.362 2.364 5 50 DEBA C[C@H](C(=O)N1CCCCC1)[S@@](=O)c1cccc([N+](=O)[O-])c1 888097550 PVGQZBOOLQYIMG-WSVYEEACSA-N 310.375 2.103 5 50 DEBA COC(=O)c1cc(Br)cc2[nH]nc([N+](=O)[O-])c12 86037140 FDRCQNOZMYITHX-UHFFFAOYSA-N 300.068 2.020 5 50 DEBA O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 100280010 GSDBCHAEOYYDKA-NGERZBJRSA-N 302.286 2.056 5 50 DEBA COc1ccc(CC(=O)Nc2ccc([N+](=O)[O-])cc2O)cc1 5049581 FIPKKEPKIRBAOX-UHFFFAOYSA-N 302.286 2.490 5 50 DEBA O=C(NC[C@@H]1COc2ccccc2O1)c1ccccc1[N+](=O)[O-] 271026 QELAKUZNJWLLNR-LLVKDONJSA-N 314.297 2.165 5 50 DEBA CC(=O)Nc1ccc([N+](=O)[O-])cc1I 6363456 OYRLELIGOKYZFU-UHFFFAOYSA-N 306.059 2.158 5 50 DEBA O=C(CCn1cc([N+](=O)[O-])cn1)NC1C2CC3CC(C2)CC1C3 2777918 PFRADOSDGHKIHC-UHFFFAOYSA-N 318.377 2.122 5 50 DEBA O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 169684117 XXEUORHXHOMNOK-WTTBSCSTSA-N 302.286 2.056 5 50 DEBA O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc2c[nH]nc2c1 1857796595 QHHHCEMSAZRRQF-UHFFFAOYSA-N 308.253 2.272 5 50 DEBA CCO[C@H]1C[C@@H](NC(=O)c2ccc(O)c([N+](=O)[O-])c2)C12CCC2 164760210 OHWIBJVDXZWSOW-KGLIPLIRSA-N 320.345 2.378 5 50 DEBA COc1ccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 4740794 IVYXIOWXODCOID-UHFFFAOYSA-N 322.342 2.082 5 50 DEBA C[C@H]1CN(CCOCCOc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 16489143 ZKKLXQCDHKSMQJ-OKILXGFUSA-N 324.377 2.099 5 50 DEBA Cc1ccc(CNCC[S@@](=O)C(F)(F)F)cc1[N+](=O)[O-] 585117157 SKLJVMCJCUBMRR-HXUWFJFHSA-N 310.297 2.261 5 50 DEBA COC(=O)c1ccc([N+](=O)[O-])c(NCC(C)(C)N2CCCC2)n1 1615578997 MEHWEVPLPXXMCY-UHFFFAOYSA-N 322.365 2.063 5 50 DEBA O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1ccccc1[N+](=O)[O-] 771837 ZKDDMNOZUQZNOD-ZDUSSCGKSA-N 314.297 2.021 5 50 DEBA CCOC(COCCNc1ccc([N+](=O)[O-])c(C)n1)OCC 193378263 LJERWUNRIYQPLJ-UHFFFAOYSA-N 313.354 2.126 5 50 DEBA COCc1nnc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)s1 461379 OKQXQVUBSKINKX-UHFFFAOYSA-N 308.319 2.153 5 50 DEBA C[C@H]1CN(CCOCCOc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 20652996 ZKKLXQCDHKSMQJ-KBPBESRZSA-N 324.377 2.099 5 50 DEBA C[C@@H](C[C@@H](C)O)NC(=O)c1c(F)ccc(Cl)c1[N+](=O)[O-] 1775991011 JCCWDAODUXQXCI-NKWVEPMBSA-N 304.705 2.277 5 50 DEBA CCCCOCCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 2989140 AXPVJZVBQLWZPI-UHFFFAOYSA-N 316.379 2.080 5 50 DEBA O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 3832628 VYBGGRRWUZEVPN-UHFFFAOYSA-N 323.286 2.304 5 50 DEBA Cn1cc([C@H]2OCC[C@@H]2Nc2ccc(F)cc2[N+](=O)[O-])cn1 170613081 MYEPIHKOYXHOLV-GXTWGEPZSA-N 306.297 2.410 5 50 DEBA C[C@H](CO[C@H]1CCOC1)Nc1ncc(Cl)cc1[N+](=O)[O-] 153932522 LFIDFYCWJAACJJ-SCZZXKLOSA-N 301.730 2.249 5 50 DEBA O=C(C1CC1)N1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 152798147 VSUKYKTVPPVAOU-UHFFFAOYSA-N 324.768 2.092 5 50 DEBA CCC(=O)N1CCN(c2ccc([N+](=O)[O-])c(NC3CC3)c2)CC1 4187764 AWAQNRKDZWLJAU-UHFFFAOYSA-N 318.377 2.228 5 50 DEBA Cc1cc([N+](=O)[O-])nn1C[C@@H](O)COc1cccc2[nH]ccc12 170594926 IGIYRYXBBJGJFQ-LLVKDONJSA-N 316.317 2.021 5 50 DEBA O=[N+]([O-])c1ccc(N2CCNCC2)cc1NCc1cccnc1 4117526 UNFZPHVBNJIVHW-UHFFFAOYSA-N 313.361 2.012 5 50 DEBA COC(=O)CC1(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC1 242389254 ZVMYEKQUERJNSZ-UHFFFAOYSA-N 316.317 2.197 5 50 DEBA CC(C)c1nnc2n1C[C@H](Nc1ncc([N+](=O)[O-])s1)CC2 195512215 USCKTJJWTGJCJC-MRVPVSSYSA-N 308.367 2.193 5 50 DEBA Cc1ocnc1CN1CCN(c2sccc2[N+](=O)[O-])CC1 1616032555 FURGVRWEFJMWAP-UHFFFAOYSA-N 308.363 2.275 5 50 DEBA O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1CCCCC1 4668578 ZUTKZDOICCGDEK-UHFFFAOYSA-N 319.361 2.058 5 50 DEBA Cc1nn(CC(=O)N2c3ccccc3C[C@H]2C)c(C)c1[N+](=O)[O-] 2753577 SMRQSZJTCNWION-SNVBAGLBSA-N 314.345 2.386 5 50 DEBA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 244695597 JPHFGKSBNFSTSP-GXYBRJDSSA-N 310.309 2.152 5 50 DEBA CN(Cc1nc(C(F)(F)F)cs1)c1ncc([N+](=O)[O-])n1C 1875256855 SFYLQVAWGDBVTI-UHFFFAOYSA-N 321.284 2.440 5 50 DEBA O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(C(F)(F)F)cc1 999389 ZPQHGRVPHOEJLD-UHFFFAOYSA-N 314.223 2.449 5 50 DEBA C[C@@H]1CN(CCN=c2ccc3ccc4cccnc4c3[nH]2)CCO1 1875294661 LWYMUMKGXQPVQV-CQSZACIVSA-N 322.412 2.338 5 50 DEBA O=C(CSCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCO1 4724118 DEECDHCTYWCTSU-ZDUSSCGKSA-N 310.375 2.123 5 50 DEBA C[C@@H]1C[C@H](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCO1 273580666 PGQJJCLFCJAARI-TZMCWYRMSA-N 306.362 2.459 5 50 DEBA CC(C)(C)OC(=O)N[C@H](Cc1ccccc1[N+](=O)[O-])C(=O)O 2244124 BSHMNGMAJNWNBP-SNVBAGLBSA-N 310.306 2.115 5 50 DEBA in-vitro O=C(NCc1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1 222378 YCSMAKFJFYGZSF-UHFFFAOYSA-N 300.270 2.254 5 50 DEBA O=C(NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccco1 174117 QSRVQUUJDFBJNR-UHFFFAOYSA-N 309.278 2.454 5 50 DEBA C[C@@H](CO[C@H]1CCOC1)Nc1c(F)cc([N+](=O)[O-])cc1F 121759928 LJKLUARKGXSCNB-WPRPVWTQSA-N 302.277 2.479 5 50 DEBA CC(=O)c1cccc(NC(=O)CCCn2cc([N+](=O)[O-])cn2)c1 1068874 RDLHQSDSDCBTAI-UHFFFAOYSA-N 316.317 2.413 5 50 DEBA Cc1cc([N+](=O)[O-])nn1CC(=O)N1CCCc2ccccc21 196099 VHJZBFUFPQCVKN-UHFFFAOYSA-N 300.318 2.079 5 50 DEBA CCC(=O)N1CCN(c2cc(C)c([N+](=O)[O-])cc2F)C[C@H]1C 4917315 YWUHOVHKRGGTBQ-LLVKDONJSA-N 309.341 2.489 5 50 DEBA Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1nc2ccccc2s1 1428837 MJTRPBCXRPWSGJ-UHFFFAOYSA-N 317.330 2.348 5 50 DEBA O=[N+]([O-])c1cccc2ncnc(N3CCOC4(CCC4)C3)c12 408192911 AWUJRNVJCPNGDO-UHFFFAOYSA-N 300.318 2.297 5 50 DEBA O=C1[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1Cc1ccc([N+](=O)[O-])cc1 100411329 AYWZFTGIMWRJHE-NZBPQXDJSA-N 312.325 2.292 5 50 DEBA C[C@@]1(c2cccc([N+](=O)[O-])c2)Nc2ccccc2-c2nnnn21 1615056121 VEZIFQLRUNPWKY-OAHLLOKOSA-N 308.301 2.395 5 50 DEBA CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 457041 JADSCBCIRYWNKX-CYBMUJFWSA-N 320.345 2.319 5 50 DEBA N[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 225463516 ZUXQTHSETBKSOW-MRXNPFEDSA-N 311.341 2.180 5 50 DEBA O=Cc1cccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 4803549 WUIGCQJWGYNJAR-UHFFFAOYSA-N 307.283 2.175 5 50 DEBA O=C(NCc1ccn2ccnc2c1)c1ccc([N+](=O)[O-])cc1F 178066378 ASCQTHBSJJXMDK-UHFFFAOYSA-N 314.276 2.312 5 50 DEBA CS(=O)(=O)CC1(CNc2ccc([N+](=O)[O-])cc2Cl)CC1 267677024 OTVQCEAITVUFDB-UHFFFAOYSA-N 318.782 2.485 5 50 DEBA CCn1ccc(=O)c(NC(=O)Cc2cccc([N+](=O)[O-])c2C)c1 170592312 FUKOZILSYJOPMI-UHFFFAOYSA-N 315.329 2.266 5 50 DEBA CCOc1ccc2nnc(/C=C/c3ccc([N+](=O)[O-])o3)n2n1 4836994 HKQKQUZBEJRFJI-HWKANZROSA-N 301.262 2.195 5 50 DEBA COc1ccc(Cl)cc1NC(=O)Cn1ccc([N+](=O)[O-])n1 1428142 FFBIDSNCZDPBBS-UHFFFAOYSA-N 310.697 2.092 5 50 DEBA Cc1csc(N2CCN(c3ncc([N+](=O)[O-])cc3C)CC2)n1 263974052 NBIAXJLXMULMSG-UHFFFAOYSA-N 319.390 2.390 5 50 DEBA CCCC[C@H](C)C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1875324217 MRCAMLJFXYDBKO-JTQLQIEISA-N 314.363 2.226 5 50 DEBA COC(=O)[C@@H](CC(C)C)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 2988539 BSJWLQOIARYWRE-HSBSLETESA-N 320.345 2.312 5 50 DEBA CC[C@H](Sc1nncn1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 4094126 LYUBOOLQGFKVPV-NSHDSACASA-N 321.362 2.233 5 50 DEBA C[C@@H]1CCCCN1c1c([N+](=O)[O-])cc([N+](=O)[O-])c2nonc12 4947514 JKHSFUKJHPDIDN-SSDOTTSWSA-N 307.266 2.418 5 50 DEBA O=C(Cn1cc([N+](=O)[O-])cn1)Nc1nc2ccccc2s1 1067284 XIKVKXKBGDMTMV-UHFFFAOYSA-N 303.303 2.040 5 50 DEBA Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])nc2c1 248330089 FHJKZSDASAMDPP-DDTOSNHZSA-N 314.345 2.200 5 50 DEBA O=[N+]([O-])c1ccc(OCCN2CCOCC2)c(C(F)(F)F)c1 40450017 PDOWEJZBJZMEDA-UHFFFAOYSA-N 320.267 2.325 5 50 DEBA Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@@H](O)[C@H](C)C1 225611474 MBYDJHUFLGVVJW-ZWNOBZJWSA-N 307.350 2.446 5 50 DEBA O=C(Nc1ccccc1[N+](=O)[O-])[C@@H]1COc2ccccc2O1 4036883 ONOOOTBDBCFULU-AWEZNQCLSA-N 300.270 2.373 5 50 DEBA Cc1ccccc1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 2866382 HAPOZCJROXJOMK-UHFFFAOYSA-N 306.343 2.382 5 50 DEBA Cc1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@@H]2[C@H]4C3)cc1[N+](=O)[O-] 2888533 YIFNJDUNMROQMD-MWKMHJQYSA-N 316.313 2.039 5 50 DEBA O=C(c1cncc(F)c1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 241588426 PDCFLKMUGCPQEI-UHFFFAOYSA-N 317.276 2.032 5 50 DEBA COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O 4313707 OVDFQGROIAILDM-MNOVXSKESA-N 322.317 2.433 5 50 DEBA CCOC(=O)CNC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 4344280 AZLOSNKNYKNZFP-UHFFFAOYSA-N 318.285 2.148 5 50 DEBA COC(=O)c1cc(C(=O)Nc2cccc(C)n2)cc([N+](=O)[O-])c1 60859 BXTCPYSLGYBVGN-UHFFFAOYSA-N 315.285 2.337 5 50 DEBA Cc1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1[N+](=O)[O-] 101701445 KNBCCCSPBSJIQQ-NUZBWSBOSA-N 300.314 2.439 5 50 DEBA O=C(O)c1cccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c1 341280 XWNPMPBUABQYPU-UHFFFAOYSA-N 322.298 2.094 5 50 DEBA CCOC(=O)c1c(C)n(C)c2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c12 4733323 PBNUPOARCGPMPA-UHFFFAOYSA-N 323.261 2.185 5 50 DEBA biogenic COc1ccc(Cn2c(C)nc([N+](=O)[O-])c2S)cc1[N+](=O)[O-] 1776094 DLWFVNCQQNGXPD-UHFFFAOYSA-N 324.318 2.354 5 50 DEBA Cc1ccoc1C(=O)NCCCNc1cc(N)ccc1[N+](=O)[O-] 170616257 HJRUMPKFBHUJEN-UHFFFAOYSA-N 318.333 2.310 5 50 DEBA O=C(Nc1cccc(C(=O)O)c1O)c1ccccc1[N+](=O)[O-] 4593530 ICUIUSNDHPDVEX-UHFFFAOYSA-N 302.242 2.251 5 50 DEBA C[C@H](OC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N[C@@H]1CCCC[C@H]1C 245266883 KNFAPERNFZWXIB-OUAUKWLOSA-N 324.333 2.428 5 50 DEBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@@H]1CCN2CCCC[C@@H]12 229724510 YXAKSGRPDJHZLU-KJMJWJSPSA-N 315.373 2.351 5 50 DEBA O=C1CC[C@@H]([N+](=O)[O-])[C@H](c2ccc(F)c(Br)c2)N1 129716 ZSKBMMAEXSPUFR-KOLCDFICSA-N 317.114 2.185 5 50 DEBA O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cn1 123040648 BNLUMZFSYPXQND-UHFFFAOYSA-N 304.281 2.493 5 50 DEBA COc1ccccc1[C@H](O)CNc1cc(C)c([N+](=O)[O-])cn1 173913479 UQTXOFZEQZYFAA-CYBMUJFWSA-N 303.318 2.452 5 50 DEBA CC1(C)[C@H](Nc2nc3ccccn3c2[N+](=O)[O-])[C@@H]2CCO[C@H]21 230217397 PTDBFQSPTLFUIK-MVWJERBFSA-N 302.334 2.468 5 50 DEBA O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@H]1Cn1ccnc1 177810827 YMKFSTCAYDUCRR-LBPRGKRZSA-N 318.308 2.235 5 50 DEBA C[C@H](CO[C@H]1CCOC1)Nc1c(F)cc([N+](=O)[O-])cc1F 121760032 LJKLUARKGXSCNB-SCZZXKLOSA-N 302.277 2.479 5 50 DEBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCCn1ccnc1 2665572 VRQQRPGZJWVKTK-AATRIKPKSA-N 300.318 2.011 5 50 DEBA O=C(CCCn1cc([N+](=O)[O-])cn1)NCc1ccccc1F 4743123 FTMLWFZCDCCPMU-UHFFFAOYSA-N 306.297 2.027 5 50 DEBA O=[N+]([O-])c1ccnn1C[C@@H]1CN(Cc2ccccc2)CCCO1 284194787 KULZBYNPTKHXGI-HNNXBMFYSA-N 316.361 2.082 5 50 DEBA CCOC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2F)C[C@@H]1C 4949407 UYVIJNWQOVJXGK-JTQLQIEISA-N 311.313 2.401 5 50 DEBA Cn1cnc([N+](=O)[O-])c1Sc1nnc(C(F)(F)F)s1 275589149 REBPBLFLJPEORD-UHFFFAOYSA-N 311.270 2.350 5 50 DEBA O=C(c1cccc([N+](=O)[O-])c1O)N1CCOc2cc(F)ccc21 137151259 GOVLPUDKJVIHLO-UHFFFAOYSA-N 318.260 2.479 5 50 DEBA COCc1ccccc1CNC(=O)c1ccc(O)c([N+](=O)[O-])c1 164157844 YGPITKNJYWKFKB-UHFFFAOYSA-N 316.313 2.377 5 50 DEBA Cc1cc([N+](=O)[O-])nn1C[C@H](O)COc1ccc(Cl)cc1 170594927 FGPFDGBBAJCTIC-NSHDSACASA-N 311.725 2.193 5 50 DEBA CN(CCc1cccc([N+](=O)[O-])c1)c1cn[nH]c(=O)c1Cl 253398145 MQPWNCMONMVQBK-UHFFFAOYSA-N 308.725 2.010 5 50 DEBA CC1(C)[C@H](Nc2ncc([N+](=O)[O-])c(NC3CC3)n2)[C@H]2CCO[C@H]21 230191586 IEUOZAKPUBFYGD-YUSALJHKSA-N 319.365 2.185 5 50 DEBA COCC1(CNC(=O)NCc2cccc([N+](=O)[O-])c2)CCC1 252509499 YOTQBPOSWFUOBL-UHFFFAOYSA-N 307.350 2.211 5 50 DEBA O=[N+]([O-])c1cc(F)ccc1N1CCC(NC2CCOCC2)CC1 952994805 UYDRSQREMQLQSD-UHFFFAOYSA-N 323.368 2.471 5 50 DEBA COC(=O)[C@@H]1[C@H](OC(C)=O)C=CC[C@H]1c1ccc([N+](=O)[O-])cc1 4570805 SLBNRWJSUPMDFH-ZNMIVQPWSA-N 319.313 2.359 5 50 DEBA CCOC(=O)C(=CNc1ccc(C)c([N+](=O)[O-])c1)C(=O)OCC 100687918 VOYHLETUFCGUQC-UHFFFAOYSA-N 322.317 2.325 5 50 DEBA O=[N+]([O-])c1cc([N+](=O)[O-])c2nonc2c1Nc1ccccc1O 13125119 XIEHSGLSOVLYNG-UHFFFAOYSA-N 317.217 2.488 5 50 DEBA O=C1[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1Cc1ccc([N+](=O)[O-])cc1 229994716 AYWZFTGIMWRJHE-DDHJSBNISA-N 312.325 2.292 5 50 DEBA O=[N+]([O-])c1ccc(CN2CCN(Cc3cccnc3)CC2)cc1 169359 ZIBJIAYXUFVGJN-UHFFFAOYSA-N 312.373 2.308 5 50 DEBA COc1ccc(Cl)cc1NC(=O)Cn1nc([N+](=O)[O-])cc1C 196087 NJFXDMCRGUOGRU-UHFFFAOYSA-N 324.724 2.400 5 50 DEBA Nn1ccc2nc3ccn(C4CCCCCC4)c(=O)c3cc2c1=O 40398620 ZKQHUAZXOAGLHU-UHFFFAOYSA-N 324.384 2.321 5 50 DEBA CSc1ccccc1NC(=O)Cn1c([N+](=O)[O-])cnc1C 118130 LWINCFZVGZXZPZ-UHFFFAOYSA-N 306.347 2.460 5 50 DEBA O=C(O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] 190999 BKJXNZHEFIQHPJ-UHFFFAOYSA-N 312.237 2.094 5 50 DEBA C[C@H](C(=O)Nc1ccccc1C(N)=O)c1ccc([N+](=O)[O-])cc1 472169 RMABBMXMDARRMC-JTQLQIEISA-N 313.313 2.436 5 50 DEBA COCC1(CNC(=O)c2cc(C)cc([N+](=O)[O-])c2N)CCC1 282055520 LZZNHMAERHJUPH-UHFFFAOYSA-N 307.350 2.032 5 50 DEBA CCOC(=O)c1cc(COc2cc([N+](=O)[O-])ccc2OC)on1 585133156 XQCVFBGGUMHPMY-UHFFFAOYSA-N 322.273 2.347 5 50 DEBA C[C@H](CO[C@@H]1CCOC1)Nc1ncc(Cl)cc1[N+](=O)[O-] 153932301 LFIDFYCWJAACJJ-PSASIEDQSA-N 301.730 2.249 5 50 DEBA Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 229153025 IDDBDVLAGJBQBR-XHBSWPGZSA-N 320.393 2.431 5 50 DEBA O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2ccccc2)cc1 47697 UUXNIYKEFYLNFA-UHFFFAOYSA-N 306.343 2.116 5 50 DEBA CC(C)CCN[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)O 2852991 MCRCCKWYUKEKDQ-CYBMUJFWSA-N 323.349 2.012 5 50 DEBA COC(=O)c1cc(NC(=O)C(F)(F)F)c([N+](=O)[O-])cc1C 616568097 FDUTWZMGKRUOMY-UHFFFAOYSA-N 306.196 2.191 5 50 DEBA O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 4702870 BAHFVGVMRKNUNA-UHFFFAOYSA-N 322.298 2.124 5 50 DEBA O=C(COc1ccc([N+](=O)[O-])cc1Br)NC1CC1 133702082 SRTLZCDYILIEHF-UHFFFAOYSA-N 315.123 2.015 5 50 DEBA O=[N+]([O-])c1cccnc1NC1CCN(C2CCOCC2)CC1 585092896 SVVMFQZHKMSZHT-UHFFFAOYSA-N 306.366 2.045 5 50 DEBA Cc1nn(CC(=O)N[C@@H](C)c2ccccc2)c(C)c1[N+](=O)[O-] 196119 XFKRJJZWUYEDJE-JTQLQIEISA-N 302.334 2.286 5 50 DEBA O=[N+]([O-])c1ccc(Cn2cnnc2[C@@H](O)c2ccccc2)cc1 195170119 QJSSREDOJITAJF-HNNXBMFYSA-N 310.313 2.316 5 50 DEBA NC(=O)c1ccc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1 465502 FDXWWIQEENGWHU-JXMROGBWSA-N 311.297 2.346 5 50 DEBA C[C@@H]1C[C@@H](C)CN(c2ccc(-n3cnnn3)cc2[N+](=O)[O-])C1 4182768 NVWNFDCCNRVIPP-GHMZBOCLSA-N 302.338 2.053 5 50 DEBA CC1(C)[C@H]2OCC[C@H]2[C@H]1Nc1nc2ccccn2c1[N+](=O)[O-] 170638114 PTDBFQSPTLFUIK-WCQGTBRESA-N 302.334 2.468 5 50 DEBA CCCCn1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 2865908 HLVLXSUDANAGOZ-UHFFFAOYSA-N 324.728 2.287 5 50 DEBA O=C(Nc1nc2ccccc2c(=O)[nH]1)c1ccccc1[N+](=O)[O-] 25558281 FZFDGNWVTNWQCK-UHFFFAOYSA-N 310.269 2.084 5 50 DEBA COc1cc(NC[C@H](O)c2ccncc2)c([N+](=O)[O-])cc1OC 585132569 AHFQZLSBUNXPGH-ZDUSSCGKSA-N 319.317 2.153 5 50 DEBA O=C(O)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1 264792 ZXWWOFJKZXYONB-DHZHZOJOSA-N 302.242 2.043 5 50 DEBA C[C@@H]1CCC[C@H](CCO)N1CC(=O)Nc1ccccc1[N+](=O)[O-] 1875273794 IXYZPWXLADAALN-CHWSQXEVSA-N 321.377 2.159 5 50 DEBA O=C(CCCn1cc([N+](=O)[O-])cn1)Nc1ccc(F)c(F)c1 1423798 GBORYCPJGIJNKJ-UHFFFAOYSA-N 310.260 2.488 5 50 DEBA O=C1[C@H]2[C@H](C(=O)N1c1ccccc1[N+](=O)[O-])[C@H]1C=C[C@H]2C12CC2 101356520 YLYYKLJYPGBNNM-DMTCVQMQSA-N 310.309 2.296 5 50 DEBA CN(C)C(=O)OCCn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 130813257 JHKCDYWVXONLOH-UHFFFAOYSA-N 304.306 2.157 5 50 DEBA CCc1ccc(C(=O)N2C[C@H](C)O[C@H](COC)C2)cc1[N+](=O)[O-] 170603503 VRZXDKJBKKKWOI-FZMZJTMJSA-N 322.361 2.033 5 50 DEBA N=C(N)SCC(=O)c1ccc(Br)c([N+](=O)[O-])c1 4582737 XADIPRKEXXBNNY-UHFFFAOYSA-N 318.152 2.167 5 50 DEBA Cc1cc(N2CCN(c3cnccn3)[C@H](C)C2)ccc1[N+](=O)[O-] 1616031376 SUPLYKHIJFDLFQ-CYBMUJFWSA-N 313.361 2.408 5 50 DEBA CCCC[C@@H](C)C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1875324218 MRCAMLJFXYDBKO-SNVBAGLBSA-N 314.363 2.226 5 50 DEBA O=C(NCCc1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1604733 ZHEGDYUOFFUWED-UHFFFAOYSA-N 315.285 2.476 5 50 DEBA biogenic Cc1cc(C(=O)N[C@H]2CCN3CCCC[C@@H]23)ccc1[N+](=O)[O-] 229724685 RPCQENURCKNZOD-ZFWWWQNUSA-N 303.362 2.260 5 50 DEBA CN(C)c1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1N 170604881 NHABMGRZLQKTBB-UHFFFAOYSA-N 300.318 2.495 5 50 DEBA O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H]1[C@H]2CC[C@@H](C2)[C@H]1CO 230132926 WLVCROZIRFJPAG-ZNIXKSQXSA-N 305.334 2.123 5 50 DEBA O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@H]3CCCCO3)C2)nc1 252677544 ZBWKJWYVYWUYMR-GXTWGEPZSA-N 306.366 2.045 5 50 DEBA Cc1cc(NCCc2ccc(O)c(CO)c2)ncc1[N+](=O)[O-] 1616041499 WMLXVCHVCYVLKD-UHFFFAOYSA-N 303.318 2.151 5 50 DEBA COc1cc([N+](=O)[O-])ccc1NC(=S)NCc1cccnc1 5041208 ZCEUMSDZAGSYQC-UHFFFAOYSA-N 318.358 2.485 5 50 DEBA COc1ccc(OC)c(NC(=O)[C@H](C)n2cc([N+](=O)[O-])cn2)c1 4686798 ZAPKNSYWSIUTKX-VIFPVBQESA-N 320.305 2.008 5 50 DEBA O=C1N=C(O)[C@@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]12 583056 MMGPWCGUKOLGRO-NWPKHEMWSA-N 320.304 2.395 5 50 DEBA COc1ccc(CNC(=O)Nc2ncc([N+](=O)[O-])s2)cc1 3818778 YAEMHJKFIIIULI-UHFFFAOYSA-N 308.319 2.382 5 50 DEBA in-vivo CCOC(=O)c1cn(C2CC2)c2cc(N)c([N+](=O)[O-])cc2c1=O 4982094 CXZUXKBJHQJLEQ-UHFFFAOYSA-N 317.301 2.004 5 50 DEBA O=[N+]([O-])c1ccc(Nc2nc(O)nc(N3CCCCC3)n2)cc1 9310369 XDBUKWXRCOGLPV-UHFFFAOYSA-N 316.321 2.219 5 50 DEBA C[C@@H](CO[C@H]1CCOC1)Nc1ncc(Cl)cc1[N+](=O)[O-] 153932416 LFIDFYCWJAACJJ-WPRPVWTQSA-N 301.730 2.249 5 50 DEBA CN(CCc1ccccn1)Cc1cc2c(cc1[N+](=O)[O-])OCO2 23115074 GTTBMSVQMJSIOH-UHFFFAOYSA-N 315.329 2.393 5 50 DEBA O=c1c2cc([N+](=O)[O-])ccc2ncn1C[C@@H](O)CC1CCCC1 170607717 OHXAJISOEKLUQV-ZDUSSCGKSA-N 317.345 2.246 5 50 DEBA O=C(Cc1ccccc1)Nc1ccc([N+](=O)[O-])c(C(=O)O)c1 5260579 QHVQEQRGDKOHHC-UHFFFAOYSA-N 300.270 2.474 5 50 DEBA COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)Nc1cccnc1 5248090 AZWCOPFKIGNAEY-UHFFFAOYSA-N 316.317 2.317 5 50 DEBA CCOC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 39193712 HPWJLXSOUJRZLN-UHFFFAOYSA-N 306.196 2.115 5 50 DEBA CC[C@@]1(C(=O)N(C)Cc2ccc(OC)c([N+](=O)[O-])c2)CCCN1 170082392 SFQDJBHCBMIDFM-INIZCTEOSA-N 321.377 2.094 5 50 DEBA O=[N+]([O-])c1cccc(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 1571128 AKAXCFAQCKRJOT-UHFFFAOYSA-N 308.271 2.336 5 50 DEBA COc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1[N+](=O)[O-] 4993715 AQKCEWAJFPIKCJ-UHFFFAOYSA-N 322.342 2.429 5 50 DEBA CN=[S@@](C)(=O)CCNc1ccc2ncccc2c1[N+](=O)[O-] 952874842 BPFBKXWUALVVJD-NRFANRHFSA-N 308.363 2.283 5 50 DEBA O=C(O)c1cccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1 285182 HFRHJKYSTBMIGI-UHFFFAOYSA-N 312.237 2.094 5 50 DEBA CC(=O)c1cccc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c1 1071047 UCZTWRACGWMVTG-UHFFFAOYSA-N 316.317 2.249 5 50 DEBA Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](C)c2cn[nH]c2)c1 281746955 YJLLCESPXFSCCZ-NSHDSACASA-N 318.333 2.273 5 50 DEBA C[C@@H](O)[C@H]1CCCN1c1ncc([N+](=O)[O-])cc1Br 585098850 IVBMXYLVLHSWDG-GMSGAONNSA-N 316.155 2.102 5 50 DEBA CN(Cc1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 333753 XSUJYEHZFOOMBO-UHFFFAOYSA-N 306.343 2.416 5 50 DEBA CCCc1nnc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)s1 616134 SRHLVABOSRYERA-UHFFFAOYSA-N 318.314 2.199 5 50 DEBA O=[N+]([O-])c1ccc(S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 3129760 KNWXNPSGFKKRSL-UHFFFAOYSA-N 308.271 2.336 5 50 DEBA O=C(O)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] 4952996 WOEQJEQPTQHJIF-UHFFFAOYSA-N 307.283 2.126 5 50 DEBA CN=[S@](C)(=O)CCNc1ccc2ncccc2c1[N+](=O)[O-] 952874843 BPFBKXWUALVVJD-OAQYLSRUSA-N 308.363 2.283 5 50 DEBA C[C@H](CN=c1ccc2ccc3cccnc3c2[nH]1)N1CCOCC1 1875293852 FNMNHSTWGSYCNX-CQSZACIVSA-N 322.412 2.338 5 50 DEBA CCOc1ccccc1NC(=O)c1nn(CC)cc1[N+](=O)[O-] 1432480 YTHGKKMNPAWMMO-UHFFFAOYSA-N 304.306 2.462 5 50 DEBA Cc1nn(C)cc1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 999943 AUGPAKFIYNKPTJ-UHFFFAOYSA-N 308.725 2.220 5 50 DEBA CN(CCCC(=O)O)C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] 237282608 HSLRCWSUOGESGI-FNORWQNLSA-N 310.281 2.070 5 50 DEBA C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(F)(F)F 3199441 JQDHTDPKIFABNL-RXMQYKEDSA-N 307.184 2.184 5 50 DEBA COc1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 3832810 DQBRRQBHWIMPRL-UHFFFAOYSA-N 308.315 2.404 5 50 DEBA Cc1noc([C@H]2CCCN(c3cc(N)ccc3[N+](=O)[O-])C2)n1 192782038 YMNUEBWIMBHKFH-JTQLQIEISA-N 303.322 2.252 5 50 DEBA Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H](C)OC3(CCOCC3)C2)n1 408449119 AEJALFYVQGIKNS-CYBMUJFWSA-N 321.377 2.381 5 50 DEBA CC(C)CO[C@H]1CCN(C(=O)c2ccc(O)c([N+](=O)[O-])c2)C1 119197871 ILLHPHLUDFZKKP-LBPRGKRZSA-N 308.334 2.188 5 50 DEBA C[C@H]1OCC[C@@]12CN(CCc1ccc([N+](=O)[O-])cc1)CCO2 280641897 ZNUGASLXMUNUFI-CZUORRHYSA-N 306.362 2.017 5 50 DEBA C[N+]1(C)CC[C@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCC2)C1 896958 ANGKOCUUWGHLCE-PKOBYXMFSA-N 318.437 2.456 5 50 DEBA fda O=[N+]([O-])c1cn(C[C@H]2CN(Cc3ccccc3)CCCO2)cn1 253416119 PYYUDLXDACLQIF-OAHLLOKOSA-N 316.361 2.082 5 50 DEBA CC(C)NC(=O)COc1ccc([N+](=O)[O-])cc1Br 133696281 ZTCRCFJKDFEDDX-UHFFFAOYSA-N 317.139 2.261 5 50 DEBA Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)no1 225443087 KMRDRMZFJWFCHU-UHFFFAOYSA-N 317.710 2.345 5 50 DEBA COC(=O)C(C(=O)OC)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 3883597 MBAQGFLNQDHQCE-UHFFFAOYSA-N 321.207 2.043 5 50 DEBA in-vitro Cc1cc([N+](=O)[O-])c(N2C[C@H](C)C[C@@H]2C(=O)O)c([N+](=O)[O-])c1 4054555 OJHDNWLCCLEXRR-LDYMZIIASA-N 309.278 2.111 5 50 DEBA COc1cccc(N2C[C@@H](SC)[C@H](N(C)C)C2)c1[N+](=O)[O-] 274699155 PDNNHVULRJRRHG-DGCLKSJQSA-N 311.407 2.085 5 50 DEBA CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 12338672 WWFJYZONBJARJT-UHFFFAOYSA-N 308.338 2.047 5 50 DEBA in-vitro Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 239412581 SWWHVVWCZKZCHG-TXFQPVFDSA-N 316.313 2.365 5 50 DEBA C[C@H]1CN(CCN=c2ccc3ccc4cccnc4c3[nH]2)CCO1 1875294660 LWYMUMKGXQPVQV-AWEZNQCLSA-N 322.412 2.338 5 50 DEBA COc1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 35832782 GWXFJOMCRLFWDG-UHFFFAOYSA-N 318.285 2.327 5 50 DEBA O=[N+]([O-])c1cc([N+](=O)[O-])c2nonc2c1Nc1ccc(O)cc1 6444941 MANHBJRZBJMCML-UHFFFAOYSA-N 317.217 2.488 5 50 DEBA Cc1cccc2sc(NC(=O)c3n[nH]cc3[N+](=O)[O-])nc12 6447235 BTFBNKALDCITHI-UHFFFAOYSA-N 303.303 2.488 5 50 DEBA O=c1[nH]c2ccc(CNc3ncc(Cl)cc3[N+](=O)[O-])cc2[nH]1 253427156 WQJMASONUSRJMN-UHFFFAOYSA-N 319.708 2.425 5 50 DEBA CC(C)Oc1ccc(CNc2cc(N)c([N+](=O)[O-])cn2)cn1 952993054 VLNKIELMIRYMSZ-UHFFFAOYSA-N 303.322 2.366 5 50 DEBA Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1[C@@H]2c3ccccc3C[C@H]21 170605132 APMWIVNOPOAKLL-FVQBIDKESA-N 309.325 2.245 5 50 DEBA COC(=O)c1cc(C(=O)N2CCC[C@H](C)C2)cc([N+](=O)[O-])c1 434379 NQUFNHCPKIGWCI-JTQLQIEISA-N 306.318 2.254 5 50 DEBA Cc1ccc(S(=O)(=O)Oc2ccc(C=O)cc2)cc1[N+](=O)[O-] 2830883 WXNCVIXBCVBMNI-UHFFFAOYSA-N 321.310 2.483 5 50 DEBA O=C(Nc1ccc(Br)cc1)c1n[nH]cc1[N+](=O)[O-] 371376 RKPKBDYUWISQLL-UHFFFAOYSA-N 311.095 2.333 5 50 DEBA CC(C)[C@@H](CCC(=O)Nc1ccc([N+](=O)[O-])cc1O)C(=O)O 4828326 CRCZPSSBXSQRRD-SNVBAGLBSA-N 310.306 2.376 5 50 DEBA O=[N+]([O-])c1cc(F)c(N2CCCCC2)cc1N1CCNCC1 4872282 PFWUHPVXZXYOCO-UHFFFAOYSA-N 308.357 2.134 5 50 DEBA O=[N+]([O-])c1cnc(NCc2noc(-c3ccccc3F)n2)s1 328586624 MPLHKBPJJJJVAI-UHFFFAOYSA-N 321.293 2.853 5 50 DEBA O=C(COc1ccc([N+](=O)[O-])cc1)NCCc1ccccc1 123893 WZIQVHAZCSPVOE-UHFFFAOYSA-N 300.314 2.333 5 50 DEBA O=C(NCCCn1ccnc1)c1cc(Cl)ccc1[N+](=O)[O-] 4025093 YBQZGWGYEJGVQU-UHFFFAOYSA-N 308.725 2.265 5 50 DEBA Cc1cn(C[C@H](O)COc2ccccc2Cl)nc1[N+](=O)[O-] 280464324 XPDGOHJTLRSFFN-JTQLQIEISA-N 311.725 2.193 5 50 DEBA CC(C)(C)OC(=O)NC/C=C/CNc1ncccc1[N+](=O)[O-] 170594363 RLLRLHJKXNCVTL-SNAWJCMRSA-N 308.338 2.483 5 50 DEBA Cn1cc([C@H]2C[C@H](Nc3ncccc3[N+](=O)[O-])CCO2)cn1 585092309 ONCXTJJTOVQOSP-DGCLKSJQSA-N 303.322 2.056 5 50 DEBA O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1[C@@H]1CCCO1 285837900 OTSGMTVSYPXBIF-CABCVRRESA-N 320.345 2.144 5 50 DEBA CCN(CC)C(=O)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])o2)C1 292230 GBIAKXKXELRQKI-GFCCVEGCSA-N 309.366 2.268 5 50 DEBA O=C(N[C@H]1[C@H]2C[C@H]3C[C@@H]1C[C@@](O)(C3)C2)c1cccc([N+](=O)[O-])c1 239174485 QCIGWYXGQCCTQW-WDWUJDEZSA-N 316.357 2.264 5 50 DEBA Cc1ccc(-c2ccc(/C=C3/NC(=O)NC3=O)o2)cc1[N+](=O)[O-] 37476 WJRKIEZGSVCANQ-YRNVUSSQSA-N 313.269 2.344 5 50 DEBA COCc1nnc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])s1 465679 KBHQWCNOGLCCGJ-VOTSOKGWSA-N 320.330 2.245 5 50 DEBA Cc1cc(N2CC[C@H](n3cc(C4CC4)nn3)C2)ncc1[N+](=O)[O-] 952963705 JKPCXGOJYQOSRI-LBPRGKRZSA-N 314.349 2.219 5 50 DEBA O=[N+]([O-])c1ccc(CSc2nnc(CO)n2C2CC2)cc1F 170610433 SPVBQHFSWLICSM-UHFFFAOYSA-N 324.337 2.445 5 50 DEBA COc1cc(NCC2(CO)CCOCC2)c([N+](=O)[O-])cc1C 408524769 YZODYVVXZUOZQR-UHFFFAOYSA-N 310.350 2.113 5 50 DEBA Cc1c(CN(C)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cnn1C 473369 CDSBGRHEAXGVAC-RMKNXTFCSA-N 314.345 2.309 5 50 DEBA Cc1cc(N2CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 432571 KXCFXEMMEBLIAY-UHFFFAOYSA-N 300.318 2.197 5 50 DEBA CCOC(=O)[C@@H]1CCCCN1Cc1ccc(O)c([N+](=O)[O-])c1 4985603 UTKKCGSEIGGGSC-LBPRGKRZSA-N 308.334 2.218 5 50 DEBA Cc1c(NC(=O)N(C)[C@@H]2CC(C)(C)OC2=O)cccc1[N+](=O)[O-] 585085697 IVLOXOOOGXSNBL-GFCCVEGCSA-N 321.333 2.461 5 50 DEBA Cc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n1 4845029 KCVCQOMXXIMRIT-UHFFFAOYSA-N 307.331 2.407 5 50 DEBA C[C@@H]1CN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C[C@H]1C(N)=O 408522986 NJGVQKWFHWGNCV-VXNVDRBHSA-N 317.267 2.171 5 50 DEBA Cc1cc(N2CCC[C@@H](CN3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] 585132814 XFTNYKVZIQMDPQ-GOEBONIOSA-N 319.405 2.186 5 50 DEBA O=C(C[S@](=O)c1cccc([N+](=O)[O-])c1)NCC1CCCCC1 888097574 SCVQABGQRXARLC-QFIPXVFZSA-N 324.402 2.399 5 50 DEBA Cc1c(CC(=O)N[C@@H](CO)c2ccccc2)cccc1[N+](=O)[O-] 155643581 DGWBYIBBZNCVFD-HNNXBMFYSA-N 314.341 2.296 5 50 DEBA O=C1c2ccccc2C(=O)N1CCOc1ccccc1[N+](=O)[O-] 3382224 QVYXLUNMNXBJCP-UHFFFAOYSA-N 312.281 2.270 5 50 DEBA COC1(C)CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 331952852 IHSRMKGLHGAXEL-UHFFFAOYSA-N 318.251 2.475 5 50 DEBA CC[S@](=O)[C@@H]1CCC[C@H](Nc2c([N+](=O)[O-])c(C)nn2C)C1 301513900 BJBGPXQRZZUKAE-FLCAKIMKSA-N 314.411 2.128 5 50 DEBA CCCC(=O)N1CCN(c2cc(C)c([N+](=O)[O-])cc2F)CC1 5060775 GRHKWAUINYIMJD-UHFFFAOYSA-N 309.341 2.491 5 50 DEBA COC(=O)c1ccc(S(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1 78219 WALLFXPBUDIJFV-UHFFFAOYSA-N 321.310 2.214 5 50 DEBA CCOC(=O)c1ccnc(N[C@H]2CCC[C@@H]2N(C)C)c1[N+](=O)[O-] 170603352 NEHGYBXVFVISBL-RYUDHWBXSA-N 322.365 2.061 5 50 DEBA O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCOCC1 292364 JHWSHWRHHJZQPF-UHFFFAOYSA-N 302.286 2.327 5 50 DEBA CN(C(=O)OC(C)(C)C)[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O 2391150 WVYOQBQMGUDWKE-LBPRGKRZSA-N 324.333 2.457 5 50 DEBA CCCCNC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 5503794 ZIJZBSKXNJXLMF-UHFFFAOYSA-N 322.434 2.391 5 50 DEBA CC[C@@H](CCO)CNc1nc(O)c2cc([N+](=O)[O-])ccc2n1 253536141 DWKCRAYMQSQZFL-VIFPVBQESA-N 306.322 2.064 5 50 DEBA Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC(=O)C(C)(C)C)c1C 1875324202 MAUHJEHTSIHLIM-UHFFFAOYSA-N 314.363 2.063 5 50 DEBA CN1CCN(c2cc(N3CCCC3)c([N+](=O)[O-])cc2F)CC1 4819064 UNSTZRRKYYTHBG-UHFFFAOYSA-N 308.357 2.086 5 50 DEBA Cc1nn(C)c(C(=O)N[C@@H]2CCCc3ccccc32)c1[N+](=O)[O-] 2765860 PKHDHSLDYGRHPS-CYBMUJFWSA-N 314.345 2.444 5 50 DEBA CC(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1O 156624010 PDCILIQBYQFZMR-YGRLFVJLSA-N 308.334 2.091 5 50 DEBA CC(C)(CNC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccncc1 170605194 AWNYWVHNXRYUBB-UHFFFAOYSA-N 314.345 2.280 5 50 DEBA O=C(OC[C@H](O)COc1ccccc1)c1ccc([N+](=O)[O-])cc1 493139 FRWJCEAPBMMECH-CQSZACIVSA-N 317.297 2.192 5 50 DEBA COC(=O)[C@@H](CC(C)C)NC(=O)c1cccc([N+](=O)[O-])c1C 4599308 RUKAOKHSQQYPBM-GFCCVEGCSA-N 308.334 2.221 5 50 DEBA Cc1cc(N2CCC[C@H](CN3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] 585132813 XFTNYKVZIQMDPQ-GDBMZVCRSA-N 319.405 2.186 5 50 DEBA CCn1cc(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cn1 474756 UPUAZMWLNUSTCT-VMPITWQZSA-N 300.318 2.141 5 50 DEBA CCOC(=O)C1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 300731 YXFPTZRRVOCDSW-UHFFFAOYSA-N 306.318 2.010 5 50 DEBA Cn1ncc([N+](=O)[O-])c1NC(=O)Cc1c[nH]c2ccc(F)cc12 170603809 NFGYZAJQKDMGAC-UHFFFAOYSA-N 317.280 2.130 5 50 DEBA C[C@@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CCC1=O 170601930 NHCWKHBNNUETIY-SSDOTTSWSA-N 314.139 2.168 5 50 DEBA O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1[N+](=O)[O-])[C@H]1C=C[C@H]2C12CC2 101356511 YLYYKLJYPGBNNM-JYILRKAJSA-N 310.309 2.296 5 50 DEBA CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(Cl)cc2)n1 372287 PTPGPMZDCXSLDM-UHFFFAOYSA-N 308.725 2.395 5 50 DEBA O=C(NC(=S)Nc1nccs1)c1ccc([N+](=O)[O-])cc1 5768218 NQAZUJLIKXAPOW-UHFFFAOYSA-N 308.344 2.178 5 50 DEBA Cc1nn(Cc2nc3c4ccccc4ncn3n2)c(C)c1[N+](=O)[O-] 2805496 RPXJXFYDTAYWBK-UHFFFAOYSA-N 323.316 2.047 5 50 DEBA O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc([N+](=O)[O-])cn1 4619201 YPYRGGVWTUKMDY-QHHAFSJGSA-N 313.269 2.370 5 50 DEBA COc1cc(C(=O)N2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1OC 1456478 XULMOLXAOIANLO-SNVBAGLBSA-N 308.334 2.484 5 50 DEBA CN1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 3894074 RKFTZIAMCCNALR-UHFFFAOYSA-N 304.394 2.337 5 50 DEBA C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ccc([N+](=O)[O-])nc1 219862738 JJXVPQLHSUHZBA-NSHDSACASA-N 322.365 2.435 5 50 DEBA O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1COc2ccccc2O1 4036885 LPEHHYLEPCTAHH-CQSZACIVSA-N 300.270 2.373 5 50 DEBA Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1N(C)CCCC1(C)C 225731704 ADQBPXMNKMBBGJ-CQSZACIVSA-N 320.393 2.148 5 50 DEBA O=c1[nH]c2ccc(CNc3ncc([N+](=O)[O-])cc3Cl)cc2[nH]1 253426261 DOABJBDBYMBHKQ-UHFFFAOYSA-N 319.708 2.425 5 50 DEBA NC[C@@H]1c2ccccc2CCN1c1ncc([N+](=O)[O-])cc1F 592468231 BJNOZDNUKFBGDR-CQSZACIVSA-N 302.309 2.191 5 50 DEBA CCC(=O)Nc1nnc(COc2ccc([N+](=O)[O-])cc2)s1 449230 PKXFFCIRKWJMSX-UHFFFAOYSA-N 308.319 2.374 5 50 DEBA COC(=O)C(C(=O)OC)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] 1393668 XLFFYSUFEZLRHR-UHFFFAOYSA-N 321.207 2.043 5 50 DEBA CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1 3956788 YQNQNVDNTFHQSW-UHFFFAOYSA-N 307.287 2.229 5 50 DEBA biogenic,fda CN1C2=NC(=O)/C(=C/c3ccc([N+](=O)[O-])o3)N2c2ccccc21 100461977 INZFDKZTEFAZQV-WQLSENKSSA-N 310.269 2.381 5 50 DEBA O=C(CN1C(=O)c2ccccc2C1=O)c1ccccc1[N+](=O)[O-] 95944490 TYKSKIMTKMBEHR-UHFFFAOYSA-N 310.265 2.074 5 50 DEBA O=[N+]([O-])c1cc([N+](=O)[O-])c(NCc2ccccn2)c([N+](=O)[O-])c1 110447783 VSFXHLGZVAIOPX-UHFFFAOYSA-N 319.233 2.418 5 50 DEBA O=C(Cn1ccccc1=O)OCc1cc([N+](=O)[O-])ccc1Cl 734975366 AKLTYUUXVPNVJV-UHFFFAOYSA-N 322.704 2.153 5 50 DEBA C[C@H]1C[C@H](C)CN(c2ccc(-n3cnnn3)cc2[N+](=O)[O-])C1 4182766 NVWNFDCCNRVIPP-QWRGUYRKSA-N 302.338 2.053 5 50 DEBA O=[N+]([O-])c1ccc(NNc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 101383553 GZHDNEBDIHCKSY-UHFFFAOYSA-N 320.221 2.245 5 50 DEBA Nc1cc(N2CCN(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] 63110796 SAXABBUALRQIHH-UHFFFAOYSA-N 312.373 2.499 5 50 DEBA CCc1[nH]nc(C(=O)Nc2ccc(F)cc2COC)c1[N+](=O)[O-] 192904451 VUEHHIQHMUZLSX-UHFFFAOYSA-N 322.296 2.418 5 50 DEBA O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[C@H](C(=O)O)CC1 238923829 PJGKPYCPWXAOSU-JOCQHMNTSA-N 320.345 2.145 5 50 DEBA O=[N+]([O-])c1ccc(N2CCNCC2)cc1NCc1ccccn1 4740888 AQSMHOXTZHARHK-UHFFFAOYSA-N 313.361 2.012 5 50 DEBA CCc1ccc(C(=O)N2C[C@@H](C)O[C@@H](COC)C2)cc1[N+](=O)[O-] 170603506 VRZXDKJBKKKWOI-BXUZGUMPSA-N 322.361 2.033 5 50 DEBA O=C(NCc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 436007 BTXXRLKNENYEPI-UHFFFAOYSA-N 300.270 2.254 5 50 DEBA COc1ccccc1CC(=O)Nc1ccc([N+](=O)[O-])cc1O 4832085 MSQHJQRSGCIMCK-UHFFFAOYSA-N 302.286 2.490 5 50 DEBA CC[C@H]1CCCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 225538350 QLIJNCXCTGZKPQ-JTQLQIEISA-N 302.334 2.458 5 50 DEBA Cc1cc(NC(=O)NCCc2ccnn2C)ccc1[N+](=O)[O-] 153709586 RQCWORPSVRXJPB-UHFFFAOYSA-N 303.322 2.001 5 50 DEBA Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H](C)[C@H](C)C2)cc1C 408406664 RRXNERZEBMCYMU-VXGBXAGGSA-N 312.391 2.488 5 50 DEBA O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccccn2)c1 3877711 SWQSAMYAMVGSFU-UHFFFAOYSA-N 313.722 2.444 5 50 DEBA CSCC[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O 4517194 DOHZIJDJOSBJFP-VIFPVBQESA-N 315.307 2.121 5 50 DEBA Cc1cccc(-n2nc([N+](=O)[O-])c(N3CCCC[C@@H]3C)[n+]2[O-])c1 4828665 CBIKAZQAJUVVBR-LBPRGKRZSA-N 317.349 2.101 5 50 DEBA C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)c1ccc([N+](=O)[O-])cc1 471673 KHIQIFPROLEPAP-SNVBAGLBSA-N 313.313 2.436 5 50 DEBA C[C@H]1OCC[C@]12CN(CCc1ccc([N+](=O)[O-])cc1)CCO2 280641891 ZNUGASLXMUNUFI-CJNGLKHVSA-N 306.362 2.017 5 50 DEBA Cc1csc(CCCNC(=O)c2cc([N+](=O)[O-])ccc2N)n1 170605011 IUPFZULHQFDPOQ-UHFFFAOYSA-N 320.374 2.305 5 50 DEBA CCOC(=O)[C@@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])C1 455841 DNCBURBEGROCQJ-LLVKDONJSA-N 306.318 2.010 5 50 DEBA CC[C@@H](NC(=O)c1c(C)cccc1[N+](=O)[O-])c1noc(C)n1 225591736 BUMHOXZWDMUZER-SNVBAGLBSA-N 304.306 2.476 5 50 DEBA Cc1ccnc(NC[C@@H]2CCC3(CCOCC3)[C@H]2O)c1[N+](=O)[O-] 253393134 TUPSUCWLDTXJEJ-JSGCOSHPSA-N 321.377 2.278 5 50 DEBA C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(C(=O)O)CC1 263453881 ORVVJWABUJUTNC-VIFPVBQESA-N 324.358 2.056 5 50 DEBA O=C(c1cccc([N+](=O)[O-])c1O)N1CC[C@@]2(O)CCCC[C@H]2C1 119372945 BZKYFAFJSLRHJU-ZBEGNZNMSA-N 320.345 2.068 5 50 DEBA Cn1cnc([N+](=O)[O-])c1NCCc1cc(C(F)(F)F)ccn1 292881204 UTVCILYCEHJCEW-UHFFFAOYSA-N 315.255 2.397 5 50 DEBA CC(C)(C)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 4983896 WYPJIZZDLCNCCJ-UHFFFAOYSA-N 309.341 2.429 5 50 DEBA COC(=O)c1cccc(C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)c1 175672726 UTVWPZSDADXRKN-UHFFFAOYSA-N 315.285 2.337 5 50 DEBA Cc1noc(C)c1CS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 170618501 KIOZUNAVWUTPSC-UHFFFAOYSA-N 314.294 2.313 5 50 DEBA COC(=O)C1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 466084 HONHKPDVNYWFEF-VOTSOKGWSA-N 318.329 2.020 5 50 DEBA COc1ccc(OC)c(NC(=O)[C@@H](C)n2cc([N+](=O)[O-])cn2)c1 4686800 ZAPKNSYWSIUTKX-SECBINFHSA-N 320.305 2.008 5 50 DEBA O=[N+]([O-])c1ccc(CN2CCN(c3ccccn3)CC2)s1 292201 KMCSXMOMUPBJBR-UHFFFAOYSA-N 304.375 2.374 5 50 DEBA O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cnn2c1CCCC2 166070673 VAIVEELJMDBTTE-UHFFFAOYSA-N 302.290 2.086 5 50 DEBA COC(=O)c1cc(C(=O)Nc2ccncc2)cc([N+](=O)[O-])c1 67866 OWRSSLVXNJGSKE-UHFFFAOYSA-N 301.258 2.029 5 50 DEBA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1c1ccccc1[N+](=O)[O-] 245226714 JEBWFSNKIKHTIJ-MUAIWGBPSA-N 310.309 2.152 5 50 DEBA Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H](C)[C@@H](C)C2)cc1C 408406661 RRXNERZEBMCYMU-RYUDHWBXSA-N 312.391 2.488 5 50 DEBA Cn1nccc1-c1ccc(CNc2ncc([N+](=O)[O-])s2)cc1 328589290 MFEGZCPFHYBYIX-UHFFFAOYSA-N 315.358 3.064 5 50 DEBA Cc1cc(C)c([N+](=O)[O-])c(N2CCN(C(=O)C(C)(C)C)CC2)n1 408172326 VKXQFFLCGVLFTL-UHFFFAOYSA-N 320.393 2.301 5 50 DEBA O=C(NCc1ccc([N+](=O)[O-])cc1)c1cccnc1-n1ccnc1 170595069 UEEAAXWBBVYZNA-UHFFFAOYSA-N 323.312 2.106 5 50 DEBA O=[N+]([O-])c1ccccc1S(=O)(=O)n1cnc2ccccc21 102590 PNOFYEMEVFLEKZ-UHFFFAOYSA-N 303.299 2.182 5 50 DEBA C[C@H](NC[C@@H](C)N1CCOC[C@H]1C)c1ccc([N+](=O)[O-])cc1 252510809 BWIDYRLXNOAYNM-MCIONIFRSA-N 307.394 2.355 5 50 DEBA CN(CCC1CCOCC1)C(=O)c1cccc([N+](=O)[O-])c1O 160370121 LDTFPVLSHDQIEV-UHFFFAOYSA-N 308.334 2.189 5 50 DEBA Cn1nc(I)c2cccc([N+](=O)[O-])c21 95708087 GRTDGGAGEQHRFL-UHFFFAOYSA-N 303.059 2.086 5 50 DEBA O=[N+]([O-])c1ccc(OC2CCN(CCn3ccnc3)CC2)cc1 131528576 RTCIOUBWJJHLFT-UHFFFAOYSA-N 316.361 2.335 5 50 DEBA CC(C)N(C)c1ccccc1NC(=O)Cn1cc([N+](=O)[O-])cn1 408516047 GLVVUMSRPBTLRI-UHFFFAOYSA-N 317.349 2.275 5 50 DEBA O=Cc1ccc([N+](=O)[O-])c(CS(=O)(=O)c2ccccc2)c1 169111 FHSWSWNLKDKHHK-UHFFFAOYSA-N 305.311 2.381 5 50 DEBA Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CSCCS1 176664715 WPDUOCWLHLCZNT-LLVKDONJSA-N 312.416 2.482 5 50 DEBA Cc1ccc(S(=O)(=O)Nc2ccc(N)cc2[N+](=O)[O-])cc1 5004394 QRXVDRYMIFNIIX-UHFFFAOYSA-N 307.331 2.286 5 50 DEBA Cc1ccnc(NC[C@H]2CCC3(CCOCC3)[C@@H]2O)c1[N+](=O)[O-] 253393140 TUPSUCWLDTXJEJ-TZMCWYRMSA-N 321.377 2.278 5 50 DEBA CCOC[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2O)C1 151679459 MCVKKGFPAKXLNB-NSHDSACASA-N 308.334 2.189 5 50 DEBA C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](CO)CC1 293079985 JRJDINGVFBBGSQ-CHWSQXEVSA-N 321.377 2.016 5 50 DEBA CN(C)CC[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1615614271 FUSXBVDRYHZKHX-LLVKDONJSA-N 308.338 2.424 5 50 DEBA O=Cc1ccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 2597358 YYSXSMLKTJUPSK-UHFFFAOYSA-N 307.283 2.175 5 50 DEBA Cn1cnnc1[C@@H]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 952991609 BUIUEGKOVWEMLL-LLVKDONJSA-N 324.344 2.265 5 50 DEBA CN1CC[C@@H]2CC[C@H](C1)N2c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 887268151 DEQKHNXFOPRSDF-CMPLNLGQSA-N 306.322 2.176 5 50 DEBA COc1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)cc1 4703621 ZGHXUFXSKLWKHB-UHFFFAOYSA-N 315.329 2.445 5 50 DEBA O=C(N[C@H](C(=O)O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 334805 KKRVOLQYNMANNM-ZDUSSCGKSA-N 300.270 2.151 5 50 DEBA COC(=O)C1=C(C)NC(=O)C[C@@H]1c1cc([N+](=O)[O-])ccc1Cl 228340 SFERLILLXNEEFZ-SNVBAGLBSA-N 324.720 2.299 5 50 DEBA CS(=O)(=O)Nc1ccc(-c2ccc(N)cc2)cc1[N+](=O)[O-] 3876984 NLAPEQKMJBEZQW-UHFFFAOYSA-N 307.331 2.216 5 50 DEBA CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 164732073 XJIPXCFLMIGVFO-HONMWMINSA-N 320.345 2.186 5 50 DEBA CSCC[C@@H](C)NS(=O)(=O)Cc1csc([N+](=O)[O-])c1 1615604617 BBYZNACBSBVJFV-MRVPVSSYSA-N 324.449 2.217 5 50 DEBA Nc1nc(Nc2nc(Cl)ccc2[N+](=O)[O-])ccc1[N+](=O)[O-] 1857798426 GJUBVHVYXOXQTQ-UHFFFAOYSA-N 310.657 2.272 5 50 DEBA O=[N+]([O-])c1cc(Cl)ccc1N1CC(CN2CCOCC2)C1 408518652 SIFKHMUBYHJKFZ-UHFFFAOYSA-N 311.769 2.017 5 50 DEBA Cc1ccc(C)c(S(=O)(=O)Nc2[nH]nc(C)c2C)c1[N+](=O)[O-] 170611174 XYKZFVIEAPLQBG-UHFFFAOYSA-N 324.362 2.352 5 50 DEBA CC(=O)c1cc(NCCNC(=O)C(C)(C)C)ccc1[N+](=O)[O-] 241884819 SYBOJJQTSWZVGD-UHFFFAOYSA-N 307.350 2.372 5 50 DEBA COc1ccc2c(c1[N+](=O)[O-])CCN(C(=O)C(F)(F)F)C2 1772718405 XEULIBCGMHSSJI-UHFFFAOYSA-N 304.224 2.050 5 50 DEBA O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@@]2(O)CCCC[C@@H]2C1 151008307 KFCHCOLZSDPYCH-WBMJQRKESA-N 320.345 2.068 5 50 DEBA CC(C)(C)OC(=O)C[C@H]1CCCCN1c1ncc([N+](=O)[O-])cn1 585117941 FLIWSPLYXBSQHZ-LLVKDONJSA-N 322.365 2.476 5 50 DEBA COc1ccc(NC(=O)Cc2ccncc2C)c([N+](=O)[O-])c1 190571142 NJUXAZXSJBFWGM-UHFFFAOYSA-N 301.302 2.488 5 50 DEBA COC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])c3cnccc23)C[C@H]1C 321316050 RSZMUDUYUSUZHM-ZWNOBZJWSA-N 315.329 2.388 5 50 DEBA O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc3c(c2)OCO3)cc1 240321561 FAKDPDFNLIMUJY-UHFFFAOYSA-N 322.298 2.124 5 50 DEBA Cn1cnnc1Sc1cc(N2CCCC2)ccc1[N+](=O)[O-] 4083476 CQGOZCLQOKBTKQ-UHFFFAOYSA-N 305.363 2.475 5 50 DEBA CCO[C@H]1C[C@H](NC(=O)c2ccc(O)c([N+](=O)[O-])c2)C12CCC2 164759988 OHWIBJVDXZWSOW-KBPBESRZSA-N 320.345 2.378 5 50 DEBA CN(CCn1ccc(=O)c([N+](=O)[O-])c1)Cc1ccc(F)cc1 170595453 FSXRBGGYXUIEJR-UHFFFAOYSA-N 305.309 2.028 5 50 DEBA C[C@@H]1ON(C(C)(C)C)[C@@H]2[C@H]1CO[C@@]2(O)c1ccc([N+](=O)[O-])cc1 248243830 PNVADGDICBWJCN-BWPSIRRCSA-N 322.361 2.189 5 50 DEBA O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc2nc[nH]c2c1 1857796591 OJNMEUZQBDUEQB-UHFFFAOYSA-N 308.253 2.272 5 50 DEBA NC(=O)c1ccccc1OC(=O)Nc1cc([N+](=O)[O-])ccc1F 1753361 HPJSXIWLAMKUIA-UHFFFAOYSA-N 319.248 2.444 5 50 DEBA Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCC2(CCOCC2)[C@@H]1O 253392455 AKSZDNREZYGSJA-GXTWGEPZSA-N 321.377 2.278 5 50 DEBA CNC(=O)C[C@H](Nc1ncc([N+](=O)[O-])s1)c1ccccc1 253395103 MJXWPFJLIFAVPN-JTQLQIEISA-N 306.347 2.341 5 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DEBA CC(C)(C)OC(=O)N1CCN(c2cc([N+](=O)[O-])ccn2)CC1 261494177 RMUBAFXETVOMJC-UHFFFAOYSA-N 308.338 2.047 5 50 DEBA O=[N+]([O-])c1cnc(NC[C@H]2CCN(CC(F)(F)F)C2)s1 170603986 URRUYTNHXDOPDD-SSDOTTSWSA-N 310.301 2.347 5 50 DEBA Cn1cc([C@@H]2C[C@H](Nc3ncccc3[N+](=O)[O-])CCO2)cn1 585092311 ONCXTJJTOVQOSP-YPMHNXCESA-N 303.322 2.056 5 50 DEBA COC(=O)c1cc(NC(C)=O)cc(Br)c1[N+](=O)[O-] 5378299 BMIXUXYLYBLVLH-UHFFFAOYSA-N 317.095 2.102 5 50 DEBA O=C(N[C@@H](O)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 283802 XOVBJXQYZBZXFC-QMMMGPOBSA-N 313.524 2.013 5 50 DEBA COC(=O)c1cc(C(=O)N2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1 434380 NQUFNHCPKIGWCI-SNVBAGLBSA-N 306.318 2.254 5 50 DEBA O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1COc2ccccc2O1 4036886 LPEHHYLEPCTAHH-AWEZNQCLSA-N 300.270 2.373 5 50 DEBA O=[N+]([O-])c1cc(F)c(N2CCC3(CC2)OCCO3)c(F)c1 113367956 JBEUGASPNCRTSZ-UHFFFAOYSA-N 300.261 2.216 5 50 DEBA O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@H](c2cc(O)n[nH]2)C1 1651203160 XVCMTWULBLTFGK-ZETCQYMHSA-N 309.713 2.066 5 50 DEBA COc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)c([N+](=O)[O-])c1 4904397 PNKNGNCRGVACQM-GHMZBOCLSA-N 322.317 2.433 5 50 DEBA Cc1ccnn1CCCNC(=S)Nc1ccc([N+](=O)[O-])cc1 6276378 NOTQFHSPUNYNBF-UHFFFAOYSA-N 319.390 2.476 5 50 DEBA Cn1cc([N+](=O)[O-])c(C(=O)NCC23CC4CC(CC(C4)C2)C3)n1 6828031 KEYFELAXWNBOCQ-UHFFFAOYSA-N 318.377 2.275 5 50 DEBA Cc1ccc(C(=O)COC(=O)c2ccncc2)cc1[N+](=O)[O-] 233164 CLAPWGYQMWTPNJ-UHFFFAOYSA-N 300.270 2.338 5 50 DEBA Cn1cnc([N+](=O)[O-])c1N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 408456563 JLWYHKNDLBSDRZ-NEPJUHHUSA-N 306.366 2.114 5 50 DEBA COC[C@]1(C(=O)OC)CCCCN1Cc1ccc([N+](=O)[O-])cc1 585133066 QJWHEYXYTBBXFL-INIZCTEOSA-N 322.361 2.139 5 50 DEBA Cn1cc(C2CCN(c3cc(N)ccc3[N+](=O)[O-])CC2)cn1 282312363 YNXWKBRBUBZTLR-UHFFFAOYSA-N 301.350 2.295 5 50 DEBA C[C@@H](CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCCCC1 250620 JCWGCLZJGLSHAK-LBPRGKRZSA-N 312.391 2.243 5 50 DEBA COc1cc(NC[C@@H](O)c2cccnc2)c([N+](=O)[O-])cc1OC 585132633 HNJPFXHOQOUSEX-CYBMUJFWSA-N 319.317 2.153 5 50 DEBA Cc1cc(=O)nc(SCc2nc3ccc([N+](=O)[O-])cc3[nH]2)[nH]1 5118778 FNJBIOBAMRNKJG-UHFFFAOYSA-N 317.330 2.155 5 50 DEBA CCOC(=O)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 4978489 PQSKDKUOXYVXRE-UHFFFAOYSA-N 321.333 2.402 5 50 DEBA O=[N+]([O-])c1c(N(CCO)Cc2ccccc2)ccc2nonc12 22589891 KJNRULKBWSPMAJ-UHFFFAOYSA-N 314.301 2.130 5 50 DEBA COC(=O)c1n[nH]c2ccc(Br)c([N+](=O)[O-])c12 89157334 KUBCOLKUCDHPLQ-UHFFFAOYSA-N 300.068 2.020 5 50 DEBA in-vitro CC1(C)CN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 407993124 LOWSUNBNBZQVRE-MRXNPFEDSA-N 322.361 2.070 5 50 DEBA COc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)c([N+](=O)[O-])c1 4904394 PNKNGNCRGVACQM-QWRGUYRKSA-N 322.317 2.433 5 50 DEBA O=C(CNC(=O)c1ccccc1)OCc1ccc([N+](=O)[O-])cc1 466941 LXDXHTBDNANCHW-UHFFFAOYSA-N 314.297 2.068 5 50 DEBA CCC(=O)O[C@@H](COCc1ccccc1)C[N+]1(C)CCOCC1 4566232 NNHYXMNPGRJAPT-QGZVFWFLSA-N 322.425 2.002 5 50 DEBA O=C(COCC(F)(F)F)N1CCc2ccc([N+](=O)[O-])cc21 120028599 KQQOJPIWQHLJOY-UHFFFAOYSA-N 304.224 2.063 5 50 DEBA O=c1c2cc([N+](=O)[O-])ccc2ncn1C[C@H](O)CC1CCCC1 170607716 OHXAJISOEKLUQV-CYBMUJFWSA-N 317.345 2.246 5 50 DEBA O=C(N[C@@H](CCO)c1cccc([N+](=O)[O-])c1)[C@@H]1C[C@@H]2C[C@@H]2C1 2325797677 MIVQGTWQAUVRBZ-JLNYLFASSA-N 304.346 2.181 5 50 DEBA O=[N+]([O-])c1ccc(NC(=S)NCCCn2ccnc2)cc1 4819319 AFIZBKGMQWUGEN-UHFFFAOYSA-N 305.363 2.168 5 50 DEBA C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H](CO)CC1 293081763 JRJDINGVFBBGSQ-STQMWFEESA-N 321.377 2.016 5 50 DEBA COc1cccc(N2C[C@H](SC)[C@@H](N(C)C)C2)c1[N+](=O)[O-] 274699153 PDNNHVULRJRRHG-AAEUAGOBSA-N 311.407 2.085 5 50 DEBA O=[N+]([O-])c1ccccc1NC1=NS(=O)(=O)c2ccccc21 3953740 FXRWVVMUCCSFPT-UHFFFAOYSA-N 303.299 2.156 5 50 DEBA O=[N+]([O-])c1ccc(N2CCNCC2)cc1NCc1ccco1 4333956 KDQLWCWVKPPGQU-UHFFFAOYSA-N 302.334 2.210 5 50 DEBA Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@H]2CCCOC2)c1F 320480804 BEEUJSDSHIKTBQ-SECBINFHSA-N 314.288 2.338 5 50 DEBA CC[C@](CO)(C(=O)O[C@H]1C[N+]2(C)CCC1CC2)c1ccccc1 355488 FQSXHTCAEAKDPA-LBCUXPGKSA-N 318.437 2.109 5 50 DEBA CN1CCc2ccc(NC(=O)c3c(N)cccc3[N+](=O)[O-])cc21 181316983 VZKYXFFKZYYRCK-UHFFFAOYSA-N 312.329 2.422 5 50 DEBA O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ccc(F)cc2)c1 4783768 BQEHGYDKTVCLEO-UHFFFAOYSA-N 310.306 2.212 5 50 DEBA CC(=O)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 189348 YRZGYZAAOZVGMI-UHFFFAOYSA-N 320.326 2.386 5 50 DEBA in-vitro O=[N+]([O-])c1ccnn1Cc1cn(-c2ccc(F)c(Cl)c2)nn1 170593970 VOCLKBNSZHQUTQ-UHFFFAOYSA-N 322.687 2.213 5 50 DEBA CN(C)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 318710 LNELEUBYDKACJS-UHFFFAOYSA-N 321.358 2.462 5 50 DEBA CCOc1cc(N(C)[C@@H](C)CN2CCOCC2)ccc1[N+](=O)[O-] 432927438 MJOZJXIWHUHZPE-ZDUSSCGKSA-N 323.393 2.150 5 50 DEBA CCc1[nH]nc(C(=O)Nc2cc(OC)ccc2F)c1[N+](=O)[O-] 181158454 RETZZZDYXQQFTF-UHFFFAOYSA-N 308.269 2.280 5 50 DEBA O=[N+]([O-])c1ccc(Cn2cnnc2[C@H](O)c2ccccc2)cc1 195170134 QJSSREDOJITAJF-OAHLLOKOSA-N 310.313 2.316 5 50 DEBA CC[C@@H](C(=O)OC)N(c1nc(Cl)ncc1[N+](=O)[O-])C(C)C 115755283 YZFOSBLUVPNFJV-QMMMGPOBSA-N 316.745 2.205 5 50 DEBA COc1cc(NC[C@H](O)c2cccnc2)c([N+](=O)[O-])cc1OC 585132634 HNJPFXHOQOUSEX-ZDUSSCGKSA-N 319.317 2.153 5 50 DEBA CN(C(=O)c1nn(C)cc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 5045021 AJMRMQYFYMWBQK-UHFFFAOYSA-N 318.377 2.369 5 50 DEBA O=[N+]([O-])c1ccc(NC[C@@H](O)c2cnc[nH]2)cc1C(F)(F)F 1119441606 FEHSMWPWCNHFPB-LLVKDONJSA-N 316.239 2.482 5 50 DEBA O=C(O)c1ccccc1N1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 190263 NQKOVLDHWLEHES-UHFFFAOYSA-N 312.237 2.094 5 50 DEBA O=C(c1cc2c(ccc3ccccc32)oc1=O)N1CCOCC1 302221 BJIXMRFQKGNFIM-UHFFFAOYSA-N 309.321 2.419 5 50 DEBA O=[N+]([O-])c1cccc(Nc2nc(O)nc(N3CCCCC3)n2)c1 8169768 NDNITKMENYFWKK-UHFFFAOYSA-N 316.321 2.219 5 50 DEBA COc1ccc(F)cc1CNC(=O)c1cc([N+](=O)[O-])ccc1N 189974219 GQPCMSQGTOIUNP-UHFFFAOYSA-N 319.292 2.255 5 50 DEBA O=[N+]([O-])c1ccc(NC[C@H](O)c2cnc[nH]2)cc1C(F)(F)F 1119441608 FEHSMWPWCNHFPB-NSHDSACASA-N 316.239 2.482 5 50 DEBA CC(C)(C)OC(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O 2545121 XBQADBXCNQPHHY-LLVKDONJSA-N 310.306 2.115 5 50 DEBA O=[N+]([O-])c1ccc(OP2(=O)OCCCO2)c([N+](=O)[O-])c1 169401373 ASSKIDKWIZITRE-UHFFFAOYSA-N 304.151 2.427 5 50 DEBA Cc1nn([C@H](C)C(=O)NCc2cccs2)c(C)c1[N+](=O)[O-] 1067278 RDXCKCNUCJHPOJ-SNVBAGLBSA-N 308.363 2.347 5 50 DEBA Cc1ccc(NC(=O)CSc2nccn2C)cc1[N+](=O)[O-] 4841229 LCXAASZAOKGURD-UHFFFAOYSA-N 306.347 2.368 5 50 DEBA CCN1C[C@@H](C)N(CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C 346203173 YTHOIIPGBNTNIS-UONOGXRCSA-N 307.394 2.388 5 50 DEBA COc1ccccc1[C@@H](O)CNc1cc(C)c([N+](=O)[O-])cn1 173913464 UQTXOFZEQZYFAA-ZDUSSCGKSA-N 303.318 2.452 5 50 DEBA O=C(CCCn1cc([N+](=O)[O-])cn1)N1CCc2ccccc21 1423526 GARUMMXSQPQFJQ-UHFFFAOYSA-N 300.318 2.161 5 50 DEBA O=C(N[C@H](Cc1ccccc1)C(=O)O)c1ccccc1[N+](=O)[O-] 234704 ZKDDMNOZUQZNOD-CYBMUJFWSA-N 314.297 2.021 5 50 DEBA Cc1[nH]c2ccccc2c1/C=C\c1nc(O)c([N+](=O)[O-])c(=O)[nH]1 9010307 PTYXJKURGMONME-SREVYHEPSA-N 312.285 2.344 5 50 DEBA CC(C)[C@H](CCC(=O)Nc1ccc([N+](=O)[O-])cc1O)C(=O)O 4828331 CRCZPSSBXSQRRD-JTQLQIEISA-N 310.306 2.376 5 50 DEBA CCOC(=O)C(=CNc1ccc([N+](=O)[O-])cc1)C(=O)OCC 100285167 UYYMMFBRRNQYGI-UHFFFAOYSA-N 308.290 2.017 5 50 DEBA O=[N+]([O-])c1ccc(N2[C@@H]3CCCC[C@]32N2CCOCC2)cc1 216514257 VRHUNKAVTYHKJL-JNIOUFIGSA-N 303.362 2.386 5 50 DEBA O=C(NC(=S)Nc1cccnc1)c1ccc([N+](=O)[O-])cc1 450828 YBZVTOZLYYZMIH-UHFFFAOYSA-N 302.315 2.117 5 50 DEBA CC1(C)CC(=O)[C@@H]([C@@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)N1 4785601 RAWHSNLAWGRMQI-KBPBESRZSA-N 306.362 2.364 5 50 DEBA Cc1nc(NC2CCN(c3nccn3C)CC2)ccc1[N+](=O)[O-] 364604933 KONQKRAJLQFYME-UHFFFAOYSA-N 316.365 2.113 5 50 DEBA CN1CCN(c2ccc([N+](=O)[O-])c(Br)c2F)CC1 3904581 NMFIYLCTVJBENN-UHFFFAOYSA-N 318.146 2.248 5 50 DEBA CCn1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cn1 372987 PGRFEZSBDXLYEP-UHFFFAOYSA-N 308.725 2.395 5 50 DEBA CO[C@H](C)c1nsc(Oc2ccc([N+](=O)[O-])c(CO)c2)n1 337938695 UUMJYVDTCPEFDM-SSDOTTSWSA-N 311.319 2.438 5 50 DEBA Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 239412580 SWWHVVWCZKZCHG-DUBDDPSESA-N 316.313 2.365 5 50 DEBA COc1c([N+](=O)[O-])cc(I)nc1Cl 675050362 DIXRNMBLCFSMHB-UHFFFAOYSA-N 314.466 2.256 5 50 DEBA COC(=O)c1cc(C(=O)N2CCC(C)CC2)cc([N+](=O)[O-])c1 268821 OHAWEHZIKCRGIJ-UHFFFAOYSA-N 306.318 2.254 5 50 DEBA COc1cc(I)c([N+](=O)[O-])cc1OC 2173628 JTESSAIGBDTIRH-UHFFFAOYSA-N 309.059 2.217 5 50 DEBA Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccnn1CC1CC1 225543313 DOIRCMHLEKBWCO-UHFFFAOYSA-N 301.306 2.036 5 50 DEBA COc1ccccc1NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C 370986 LHCFSPDWSATBID-UHFFFAOYSA-N 304.306 2.055 5 50 DEBA Cc1ccc(NC(=O)[C@@H]2[C@H]3C[C@@H]4OC(=O)[C@@H]2[C@H]4C3)cc1[N+](=O)[O-] 239433705 YIFNJDUNMROQMD-SSGZPDKPSA-N 316.313 2.039 5 50 DEBA O=C1c2ccccc2CCN1CCNc1ncc([N+](=O)[O-])s1 192545712 RKEHUSMNFLAGDQ-UHFFFAOYSA-N 318.358 2.162 5 50 DEBA Cc1nc(N2Cc3c[nH]nc3CC(C)(C)C2)ncc1[N+](=O)[O-] 952895365 UMXROELDYWKECX-UHFFFAOYSA-N 302.338 2.005 5 50 DEBA Cc1cc(C)n(-c2cc(N3CCOCC3)ccc2[N+](=O)[O-])n1 4333794 ADXIQYLTJRBQCT-UHFFFAOYSA-N 302.334 2.234 5 50 DEBA CCOC(C)(OCC)[C@@H](N)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 25668141 IGPXDRXJGDHSAQ-LBPRGKRZSA-N 313.310 2.292 5 50 DEBA O=C(O)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 216666 LVXCTZCKNXERGZ-UHFFFAOYSA-N 307.283 2.126 5 50 DEBA CCc1nn(C)c(N2CCN(C)c3ccccc3C2)c1[N+](=O)[O-] 253419630 UFHLGUPVBPZGPD-UHFFFAOYSA-N 315.377 2.347 5 50 DEBA CC(=O)c1ccc(NC[C@H]2CCN(C(C)=O)C2)c([N+](=O)[O-])c1 408516854 WPFPHUCPAAPTBU-GFCCVEGCSA-N 305.334 2.078 5 50 DEBA CCN(CCNc1nc2sccn2c1[N+](=O)[O-])CC(F)F 170610803 AUGURKCGDSSZPF-UHFFFAOYSA-N 319.337 2.303 5 50 DEBA Cc1sc([N+](=O)[O-])c(I)c1[N+](=O)[O-] 4099272 WMUAVLUEXWXEKU-UHFFFAOYSA-N 314.060 2.478 5 50 DEBA COC(=O)c1cc(C(=O)Nc2ncccc2C)cc([N+](=O)[O-])c1 60862 ZPELXLKISLPJMS-UHFFFAOYSA-N 315.285 2.337 5 50 DEBA O=C(COC(=O)c1ccccc1O)c1ccc([N+](=O)[O-])cc1 452328 TWEYNNONQZEGHF-UHFFFAOYSA-N 301.254 2.340 5 50 DEBA CC(C)(C)OC(=O)N[C@H](Cc1cccc([N+](=O)[O-])c1)C(=O)O 2244125 OWTGPXDXLMNQKK-LLVKDONJSA-N 310.306 2.115 5 50 DEBA in-vitro Nc1[nH]c(=O)c2cc([N+](=O)[O-])ccc2c1C(=O)c1ccccc1 6668442 KCEJIGIYGDLMMQ-UHFFFAOYSA-N 309.281 2.250 5 50 DEBA Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)CC1CC(O)C1 135450398 PUHXJQXGYUSHKT-UHFFFAOYSA-N 306.362 2.363 5 50 DEBA CCc1[nH]nc(-c2nc([C@](C)(OC)C3CC3)no2)c1[N+](=O)[O-] 351242184 LBRNGVLSGVHWLM-CYBMUJFWSA-N 307.310 2.202 5 50 DEBA O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc2[nH]ncc2c1 20497592 KTXGNFDLKBMPSY-UHFFFAOYSA-N 312.285 2.489 5 50 DEBA COc1ccc(C(=O)NC(=S)NC(C)(C)C)cc1[N+](=O)[O-] 452666 RJMDVJGJANAOPW-UHFFFAOYSA-N 311.363 2.006 5 50 DEBA CN1C=C(C(=O)NCCC[N+]2(C)CCCCC2)C=CC1=CN=O 1857524718 NRTGDCNSYRINDV-UHFFFAOYSA-O 319.429 2.117 5 50 DEBA CC[N@+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2 252460687 HKFMCZVBOTVKDM-QTVCLEQKSA-N 318.437 2.466 5 50 DEBA biogenic COC(=O)[C@H]1C[C@@H](Nc2nc3ccc([N+](=O)[O-])cc3[nH]2)C1(C)C 1875358010 FTPVPSFMSSDPGW-BXKDBHETSA-N 318.333 2.471 5 50 DEBA CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2[N+](=O)[O-])CC(=O)N1 227531 BZCPDGMOYIBBFX-GFCCVEGCSA-N 318.329 2.424 5 50 DEBA CCn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc([N+](=O)[O-])cc1C 4647113 HBUXTSRCVRFHKR-UHFFFAOYSA-N 319.277 2.280 5 50 DEBA COC(=O)c1cc2cc(Cn3cnc([N+](=O)[O-])c3)ccc2o1 172695176 OJYMNPFAVSXUCV-UHFFFAOYSA-N 301.258 2.372 5 50 DEBA O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCCC[C@H]1c1cn[nH]c1 127355063 CECHUPRFRZLLHL-LBPRGKRZSA-N 316.317 2.391 5 50 DEBA COc1cccc2nc3cccc(C(=O)NCCN(C)C)c3nc12 5957851 CMOMBJSTLVSUTD-UHFFFAOYSA-N 324.384 2.083 5 50 DEBA COc1cccc(N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)c1 19757813 CAFRYYWOTKPYMX-UHFFFAOYSA-N 314.345 2.325 5 50 DEBA O=C(C1CC1)N1CCCN(c2ccc(F)cc2[N+](=O)[O-])CC1 152800189 WBDGNQCPUVWIPO-UHFFFAOYSA-N 307.325 2.183 5 50 DEBA O=C(c1cccc([N+](=O)[O-])c1O)N1CCO[C@H]2CCCC[C@@H]21 130424561 UCWMWKHEHMVPLG-AAEUAGOBSA-N 306.318 2.084 5 50 DEBA CCN1CCN(C(=O)c2c(F)ccc(Cl)c2[N+](=O)[O-])CC1 1775989761 AMLNTACZAZOTMS-UHFFFAOYSA-N 315.732 2.165 5 50 DEBA O=C(c1ccc(Cn2cc([N+](=O)[O-])cn2)o1)N1CCCCCC1 375300 HGTMGLWWOMIAHW-UHFFFAOYSA-N 318.333 2.449 5 50 DEBA CC1(C)[C@H](Nc2nc3ccccn3c2[N+](=O)[O-])[C@H]2CCO[C@H]21 230217407 PTDBFQSPTLFUIK-YUSALJHKSA-N 302.334 2.468 5 50 DEBA COC(=O)[C@@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@@H]1C 276973546 UCGLWNADCCGSAT-WCBMZHEXSA-N 313.741 2.279 5 50 DEBA Nc1nc(NC(=O)c2cccc([N+](=O)[O-])c2)nn1-c1ccccc1 9236877 HOCDGUZGJJATNB-UHFFFAOYSA-N 324.300 2.010 5 50 DEBA O=C1CC[C@H]([N+](=O)[O-])[C@H](c2ccc(F)c(Br)c2)N1 129710 ZSKBMMAEXSPUFR-ONGXEEELSA-N 317.114 2.185 5 50 DEBA COC(=O)c1cc(C(=O)N2CCCCCC2)cc([N+](=O)[O-])c1 60833 RRJAGBMMRKXCEB-UHFFFAOYSA-N 306.318 2.398 5 50 DEBA C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccncc1 4750547 UXXRTQKUZDTIBJ-NSHDSACASA-N 301.302 2.074 5 50 DEBA NC(=O)c1cncc(Oc2ccc([N+](=O)[O-])c3cnccc23)c1 253426538 WQTZTSXIFOCCEG-UHFFFAOYSA-N 310.269 2.429 5 50 DEBA O=C(Nc1ccccc1[N+](=O)[O-])[C@H]1COc2ccccc2O1 4036884 ONOOOTBDBCFULU-CQSZACIVSA-N 300.270 2.373 5 50 DEBA O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1CO 242284653 YIOXOEUETRIOJP-DUBDDPSESA-N 305.334 2.123 5 50 DEBA O=C(O)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O 221636 YPLJCJIUZGTECP-UHFFFAOYSA-N 312.237 2.094 5 50 DEBA CC(C)(C)OC(=O)N1CC[C@@H](Oc2ncccc2[N+](=O)[O-])C1 67800865 VZFLNSWDDBREJL-SNVBAGLBSA-N 309.322 2.378 5 50 DEBA CC(C)c1nnc2n1C[C@@H](Nc1ncc([N+](=O)[O-])s1)CC2 195512217 USCKTJJWTGJCJC-QMMMGPOBSA-N 308.367 2.193 5 50 DEBA O=C(Nc1ccc(OC(F)(F)F)cc1)c1c[nH]nc1[N+](=O)[O-] 170617871 HGESSQHEMUXBIF-UHFFFAOYSA-N 316.195 2.469 5 50 DEBA O=C(NC(=S)Nc1ccccc1O)c1ccc([N+](=O)[O-])cc1 330870 ZGWOREAIQWCTHV-UHFFFAOYSA-N 317.326 2.427 5 50 DEBA COCCn1cc2c(n1)[C@H](Nc1ncc([N+](=O)[O-])s1)CCC2 253395145 MWXLDVDGMJNVQA-SNVBAGLBSA-N 323.378 2.384 5 50 DEBA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 239128705 KQWIHAFWGICYBX-GXYBRJDSSA-N 310.309 2.152 5 50 DEBA C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)[C@@H](CO)c1ccccc1)C2 252462041 PIPAJLPNWZMYQA-YVSFHVDLSA-N 304.410 2.076 5 50 DEBA biogenic,in-man O=[N+]([O-])c1ccc(NC[C@H]2CCCO2)nc1NC[C@@H]1CCCO1 170610827 WXFDQWCDZAKPJI-NEPJUHHUSA-N 322.365 2.172 5 50 DEBA Cc1cc(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)cc([N+](=O)[O-])c1 247527155 ZNGCZULONJUESG-IUODEOHRSA-N 305.378 2.362 5 50 DEBA Cn1nccc1[C@@H]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)C1 368485218 VJELTUBDTPAVLE-SNVBAGLBSA-N 320.374 2.410 5 50 DEBA O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ncc([N+](=O)[O-])s1 4141220 XCXMRHVPNYVEBL-DUXPYHPUSA-N 319.298 2.432 5 50 DEBA C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1CN1C(=O)[C@@H]2CCC[C@H]21 241810000 SCJJTUZDFMMJRB-WDBKCZKBSA-N 301.346 2.314 5 50 DEBA C[C@](CO)(NCc1ccc(F)cc1[N+](=O)[O-])c1cccc(O)c1 595496302 GRVXULBNYHFGRH-MRXNPFEDSA-N 320.320 2.437 5 50 DEBA CCN(CC)CCNc1c([N+](=O)[O-])c(=O)n(C)c2ccccc12 4264089 HWEDCWUOCZMPEN-UHFFFAOYSA-N 318.377 2.200 5 50 DEBA O=[N+]([O-])c1ccc(N2CCn3c(nnc3C(F)F)C2)c(F)c1 585092179 INISXRBAPOIPPP-UHFFFAOYSA-N 313.239 2.283 5 50 DEBA COC(=O)[C@]1(C)[C@H](c2ccc(C)cc2)[C@H]([N+](=O)[O-])[C@H]2CCCN21 643919609 KCZDAYGAROCAGL-ANQUJSFKSA-N 318.373 2.134 5 50 DEBA COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccccc1 304296 MFNJPYSGYCDLNC-UHFFFAOYSA-N 308.315 2.404 5 50 DEBA COC(=O)c1cc(C(=O)N2CCCC[C@H]2C)cc([N+](=O)[O-])c1 434438 JDUBFJGPICNMAW-SNVBAGLBSA-N 306.318 2.396 5 50 DEBA O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1c1ncc[nH]1 242047807 VQHKBEOAUYVNED-CYBMUJFWSA-N 316.317 2.060 5 50 DEBA O=[N+]([O-])c1ccc(OC2CCN(CCn3cccn3)CC2)cc1 174247407 CLRFMYPLJLAMKC-UHFFFAOYSA-N 316.361 2.335 5 50 DEBA CS(=O)(=O)c1cccc(N2CCC3(CCC3)C2)c1[N+](=O)[O-] 170591208 KYYGCVRQWMKSLH-UHFFFAOYSA-N 310.375 2.379 5 50 DEBA O=C(O)C(=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)O 91376 AXVYYJBPHOLVHJ-UHFFFAOYSA-N 303.226 2.407 5 50 DEBA O=C1CC[C@@H]([N+](=O)[O-])[C@H](c2cc(Br)ccc2F)N1 90348 COABYOWXAKKPPG-KOLCDFICSA-N 317.114 2.185 5 50 DEBA COc1ccccc1CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 299116 LRQUIWFKZCMXKL-UHFFFAOYSA-N 322.342 2.082 5 50 DEBA COc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 1230547 RVRDNSLFNJNMLR-UHFFFAOYSA-N 322.342 2.082 5 50 DEBA COC(=O)c1ccc([N+](=O)[O-])c(NCCCc2ccccn2)n1 286202919 MIDIEAUTEUCNFB-UHFFFAOYSA-N 316.317 2.216 5 50 DEBA CCn1nc(C)c(NC(=O)c2cc([N+](=O)[O-])ccc2N)c1C 170605089 MAXLBWAILZIBPP-UHFFFAOYSA-N 303.322 2.263 5 50 DEBA CC(=O)c1cc(N2CCC3(CC2)OCCO3)ccc1[N+](=O)[O-] 8762663 QARQUHPVVTXZEL-UHFFFAOYSA-N 306.318 2.141 5 50 DEBA CN(C)CC[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1615614273 FUSXBVDRYHZKHX-NSHDSACASA-N 308.338 2.424 5 50 DEBA CCc1n[nH]c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 18191256 JCTYYPJWZOVBME-UHFFFAOYSA-N 307.335 2.006 5 50 DEBA Cc1c(C(=O)NC(=S)Nc2cccnc2)cccc1[N+](=O)[O-] 456368 HKGIWXJLRXGZLY-UHFFFAOYSA-N 316.342 2.425 5 50 DEBA O=C(NCCc1ccc([N+](=O)[O-])cc1)NC1CCSCC1 171167512 DGNYHMJUAPGNHK-UHFFFAOYSA-N 309.391 2.332 5 50 DEBA Cc1ccnc(N2CCN(c3cc(N)ccc3[N+](=O)[O-])CC2)c1 800858475 KHEYXNIOZBJJNF-UHFFFAOYSA-N 313.361 2.207 5 50 DEBA Cc1cc(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)cc([N+](=O)[O-])c1 247527147 ZNGCZULONJUESG-DOMZBBRYSA-N 305.378 2.362 5 50 DEBA Cc1cc2[nH]nc(I)c2cc1[N+](=O)[O-] 14985779 UMRBFGNXSMPUHB-UHFFFAOYSA-N 303.059 2.384 5 50 DEBA in-vitro O=C(NCCOC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 2895277 QZCLCQKAORWCSB-UHFFFAOYSA-N 314.297 2.182 5 50 DEBA O=C(N[C@H](Cc1ccccc1)C(=O)O)c1ccc([N+](=O)[O-])cc1 4803436 VYZOJJUCGWWNAS-CQSZACIVSA-N 314.297 2.021 5 50 DEBA Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCN(CC(F)(F)F)C1 301201434 QLYMBRZFEXDVGO-SECBINFHSA-N 304.272 2.347 5 50 DEBA O=C1CC[C@@H]([N+](=O)[O-])[C@@H](c2cc(Br)ccc2F)N1 90356 COABYOWXAKKPPG-MWLCHTKSSA-N 317.114 2.185 5 50 DEBA COc1cccc(N2C[C@H](SC)[C@H](N(C)C)C2)c1[N+](=O)[O-] 274699157 PDNNHVULRJRRHG-YPMHNXCESA-N 311.407 2.085 5 50 DEBA CC[C@@](CO)(C(=O)O[C@H]1C[N+]2(C)CCC1CC2)c1ccccc1 355493 FQSXHTCAEAKDPA-QVWCLXPZSA-N 318.437 2.109 5 50 DEBA C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2 100371018 PIPAJLPNWZMYQA-LTIDMASMSA-N 304.410 2.076 5 50 DEBA biogenic,in-man Cc1cc(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)cc([N+](=O)[O-])c1 155719986 ZNGCZULONJUESG-WFASDCNBSA-N 305.378 2.362 5 50 DEBA O=C(CC1(O)CCCCC1)NCc1ccc(O)c([N+](=O)[O-])c1 1616036930 BUHZZCMKNOZSGR-UHFFFAOYSA-N 308.334 2.002 5 50 DEBA CCCn1c(SCn2cc([N+](=O)[O-])cn2)nnc1C1CC1 6400408 FWRBZUBBNDDUSL-UHFFFAOYSA-N 308.367 2.420 5 50 DEBA Cc1ccnc(N2CCC(Cn3cccn3)CC2)c1[N+](=O)[O-] 115517799 CUBGEGNPADJUML-UHFFFAOYSA-N 301.350 2.411 5 50 DEBA Cc1nn(Cc2ncnn2CC(F)F)c2ccc([N+](=O)[O-])cc12 447302222 AIOALYGDIQJPQJ-UHFFFAOYSA-N 322.275 2.158 5 50 DEBA COC(=O)c1cc(C)nc(NCCc2ccns2)c1[N+](=O)[O-] 1332477253 KRPJSUHNQUBWHK-UHFFFAOYSA-N 322.346 2.196 5 50 DEBA COC(=O)c1ccc(OC[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])c1 253425921 WMJKFBIXUGGLNZ-AAEUAGOBSA-N 309.318 2.311 5 50 DEBA Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCN(CC(F)(F)F)C1 301201436 QLYMBRZFEXDVGO-VIFPVBQESA-N 304.272 2.347 5 50 DEBA O=C(CSCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCO1 4724119 DEECDHCTYWCTSU-CYBMUJFWSA-N 310.375 2.123 5 50 DEBA COc1ccc(S(=O)(=O)N2CCCCCC2)c([N+](=O)[O-])c1 616044 GVUAJSIMFCJDRS-UHFFFAOYSA-N 314.363 2.168 5 50 DEBA COc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)C(C)(C)C 1069896 XPAZDNGTFKILAU-UHFFFAOYSA-N 311.363 2.463 5 50 DEBA Cc1cccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])n1 450422 NKZJJQYSESPYSO-UHFFFAOYSA-N 316.342 2.425 5 50 DEBA O=C(N[C@H](CCO)c1ccco1)c1ccc([N+](=O)[O-])cc1F 187949694 UMSXSUGRADXSPG-GFCCVEGCSA-N 308.265 2.180 5 50 DEBA COC(=O)c1cc(C(=O)Nc2cc(C)ccn2)cc([N+](=O)[O-])c1 60845 RFPKXLQFOXRTPK-UHFFFAOYSA-N 315.285 2.337 5 50 DEBA CCCc1ccc(C(=O)Cn2ccc(N)c([N+](=O)[O-])c2=O)cc1 585118519 RUVAJSGZMXCGPJ-UHFFFAOYSA-N 315.329 2.174 5 50 DEBA Cc1[nH]nc(C(F)F)c1NC(=O)c1cccc([N+](=O)[O-])c1N 355602457 DLROBYXOJQWGTF-UHFFFAOYSA-N 311.248 2.398 5 50 DEBA Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC1CCN(C)CC1 191403434 CQGAVUOKFXZKFR-UHFFFAOYSA-N 306.366 2.427 5 50 DEBA O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@@]2(O)CCCC[C@H]2C1 151008406 KFCHCOLZSDPYCH-LRDDRELGSA-N 320.345 2.068 5 50 DEBA O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1CO 252506839 WLVCROZIRFJPAG-DUBDDPSESA-N 305.334 2.123 5 50 DEBA O=C(Cc1nc2cc3ccccc3nc2c(=O)[nH]1)NC1CCCC1 585137227 NBXCGEYKEDJOCV-UHFFFAOYSA-N 322.368 2.073 5 50 DEBA Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CCC2(CCOCC2)[C@@H]1O 253392469 AKSZDNREZYGSJA-TZMCWYRMSA-N 321.377 2.278 5 50 DEBA CNC(=O)C[C@@H](Nc1ncc([N+](=O)[O-])s1)c1ccccc1 253395107 MJXWPFJLIFAVPN-SNVBAGLBSA-N 306.347 2.341 5 50 DEBA Cc1ccnc(NC[C@H]2CCC3(CCOCC3)[C@H]2O)c1[N+](=O)[O-] 253393137 TUPSUCWLDTXJEJ-OCCSQVGLSA-N 321.377 2.278 5 50 DEBA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1c1ccccc1[N+](=O)[O-] 245226712 JEBWFSNKIKHTIJ-AJABAVSMSA-N 310.309 2.152 5 50 DEBA Cc1cccnc1NC(=S)NC(=O)c1ccccc1[N+](=O)[O-] 453596 MMUFAHCOLKKMOI-UHFFFAOYSA-N 316.342 2.425 5 50 DEBA Cc1cc(N2CCC[C@@H](CN3CC[C@H](O)C3)C2)ccc1[N+](=O)[O-] 585132815 XFTNYKVZIQMDPQ-HOCLYGCPSA-N 319.405 2.186 5 50 DEBA O=C(Cn1cnc(-c2ccc([N+](=O)[O-])cc2)c1)N1CCCCC1 1443696 FCTOWGVQARFXRM-UHFFFAOYSA-N 314.345 2.471 5 50 DEBA CC(=O)c1ccc(NC[C@@H]2CCN(C(C)=O)C2)c([N+](=O)[O-])c1 408516855 WPFPHUCPAAPTBU-LBPRGKRZSA-N 305.334 2.078 5 50 DEBA COc1cc(OC)c2ncc3c(=O)nc4ccccn4c3c2c1 40227522 FYAVKHAEYXEKSM-UHFFFAOYSA-N 307.309 2.413 5 50 DEBA CN1CCC(N(CCO)c2ccc(Cl)cc2[N+](=O)[O-])CC1 888095840 ZKSFEFLKCVJRGA-UHFFFAOYSA-N 313.785 2.141 5 50 DEBA CC1(C)CC(=O)[C@@H]([C@@H](O)c2ccc([N+](=O)[O-])cc2)C(C)(C)N1 4785682 JILSLUDMEKLBRA-KBPBESRZSA-N 306.362 2.364 5 50 DEBA CCn1nc(C)c([N+](=O)[O-])c1NCCNC(=O)c1cccs1 192505939 KYZBPRDHMVKMDE-UHFFFAOYSA-N 323.378 2.023 5 50 DEBA O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@]2(O)CCCC[C@@H]2C1 151008261 KFCHCOLZSDPYCH-MLGOLLRUSA-N 320.345 2.068 5 50 DEBA O=C(O)C(=O)Cc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] 167563249 URKLICDSYIKIPP-UHFFFAOYSA-N 315.281 2.370 5 50 DEBA CC1(C)CC(=O)[C@H]([C@@H](O)c2ccc([N+](=O)[O-])cc2)C(C)(C)N1 4785681 JILSLUDMEKLBRA-KGLIPLIRSA-N 306.362 2.364 5 50 DEBA CCOC(=O)C(=CNc1ccccc1[N+](=O)[O-])C(=O)OCC 100254038 JTGABQDBMSKAOX-UHFFFAOYSA-N 308.290 2.017 5 50 DEBA CC1(C)CC[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 284429077 RGLKPFIVFFZHMC-ZDUSSCGKSA-N 312.391 2.147 5 50 DEBA COC(=O)c1cc(C)c(NC(=O)C(F)(F)F)c([N+](=O)[O-])c1 616568458 RIOYCWRHJDZFQV-UHFFFAOYSA-N 306.196 2.191 5 50 DEBA O=C(O)c1cccc([N+](=O)[O-])c1C(=O)NCCc1ccccc1 447796 NPRPLFRCJKUVJV-UHFFFAOYSA-N 314.297 2.266 5 50 DEBA COC(=O)[C@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)CC=C[C@H]1OC(C)=O 4570791 SLBNRWJSUPMDFH-KFWWJZLASA-N 319.313 2.359 5 50 DEBA Nc1nc(N(Cc2ccc(F)cc2F)C2CC2)ncc1[N+](=O)[O-] 170620870 XFKXRSSEJKGTRL-UHFFFAOYSA-N 321.287 2.414 5 50 DEBA NC(=O)[C@@H]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 4998225 IFKWHJFZHXIFPD-MRVPVSSYSA-N 317.267 2.315 5 50 DEBA CCn1ccc(CNC(=S)Nc2ccc([N+](=O)[O-])cc2)n1 4999004 AEHXQBNZTAMHIM-UHFFFAOYSA-N 305.363 2.298 5 50 DEBA O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1[C@H]1CCCO1 285837909 OTSGMTVSYPXBIF-LSDHHAIUSA-N 320.345 2.144 5 50 DEBA C[C@@H](CNc1cc(Cl)ccc1[N+](=O)[O-])Oc1nonc1N 5354387 JGZOEPSVKZPWEQ-LURJTMIESA-N 313.701 2.093 5 50 DEBA C[S@](=O)C1(CNc2ncc(Cl)cc2[N+](=O)[O-])CCC1 280821208 UXWXSCNHVNTQDQ-IBGZPJMESA-N 303.771 2.356 5 50 DEBA O=C1N=C(O)[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@H]12 583059 MMGPWCGUKOLGRO-DIODGJHASA-N 320.304 2.395 5 50 DEBA O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc([N+](=O)[O-])o1 259785 JLCLIYUCWWGCAB-UHFFFAOYSA-N 317.301 2.277 5 50 DEBA Cc1ccc([N+](=O)[O-])c(OCCCN2C(=O)NC(C)(C)C2=O)c1 2862583 NRVLYNQZQYLNQF-UHFFFAOYSA-N 321.333 2.003 5 50 DEBA CCOC(=O)CC1(C[N+](=O)[O-])CCN(Cc2ccccc2)CC1 34093023 HQJUZODKTPHDAG-UHFFFAOYSA-N 320.389 2.499 5 50 DEBA Cc1cccnc1Cn1c(-c2ccc([N+](=O)[O-])cc2)noc1=O 179747957 JAJHCZIJPBIDDR-UHFFFAOYSA-N 312.285 2.163 5 50 DEBA Cc1c(NC(=O)N(C)[C@H]2CC(C)(C)OC2=O)cccc1[N+](=O)[O-] 585085698 IVLOXOOOGXSNBL-LBPRGKRZSA-N 321.333 2.461 5 50 DEBA O=C(CN1C2=NCCN2c2ccccc21)c1cccc([N+](=O)[O-])c1 5395198 ZHRZNPXZGKPAFW-UHFFFAOYSA-N 322.324 2.474 5 50 DEBA CC(C)CC(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 19446477 XZSBDUSINWPOSM-UHFFFAOYSA-N 305.378 2.285 5 50 DEBA C[C@@H]1CCCN(C(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)C1 1002349 NZPCORLWYYEUQK-LLVKDONJSA-N 318.333 2.305 5 50 DEBA Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 239425808 VHKRHDANWAQKGM-OBPPPDSMSA-N 324.336 2.461 5 50 DEBA COc1cccc(N2CCC[C@H](c3nncn3C)C2)c1[N+](=O)[O-] 170598660 PNWOXWMTUKDMQY-NSHDSACASA-N 317.349 2.116 5 50 DEBA COc1ccc(C(=O)Nc2ncc([N+](=O)[O-])s2)cc1OC 4141613 ZGAMGGWNTDTICM-UHFFFAOYSA-N 309.303 2.321 5 50 DEBA COC[C@H]1CN(c2ccc(C(F)F)cc2[N+](=O)[O-])CCO1 408516821 KCORAQJPYPEFQA-SNVBAGLBSA-N 302.277 2.384 5 50 DEBA CCOC(=O)[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1F 194687793 HQLPISVKEDUABS-CYBMUJFWSA-N 324.308 2.292 5 50 DEBA CCCNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCO1 4858272 ZCHIPAAHHMWPGQ-LBPRGKRZSA-N 307.350 2.326 5 50 DEBA C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@@H](CO)c1ccccc1)C2 100371013 PIPAJLPNWZMYQA-HZMVEIRTSA-N 304.410 2.076 5 50 DEBA biogenic,in-man O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1C[C@H]1C1CCCCC1 294529915 LDEXWYVABNIGFN-JSGCOSHPSA-N 306.366 2.124 5 50 DEBA O=C(NCc1ccc2c(c1)OCO2)c1ccccc1[N+](=O)[O-] 38951 OMJZRSQMOPOMRS-UHFFFAOYSA-N 300.270 2.254 5 50 DEBA O=C(Cn1c(=O)oc2ccccc21)Nc1cccc([N+](=O)[O-])c1 1071742 URGQTZHLHGEEMG-UHFFFAOYSA-N 313.269 2.141 5 50 DEBA CC[C@H](CCO)CNc1nc(O)c2cc([N+](=O)[O-])ccc2n1 253536137 DWKCRAYMQSQZFL-SECBINFHSA-N 306.322 2.064 5 50 DEBA COCc1ccc(-c2noc(-c3nn(C)cc3[N+](=O)[O-])n2)cc1 328593819 NJJDTFMUANUPQJ-UHFFFAOYSA-N 315.289 2.192 5 50 DEBA NC[C@H]1c2ccccc2CCN1c1ncc([N+](=O)[O-])cc1F 592468230 BJNOZDNUKFBGDR-AWEZNQCLSA-N 302.309 2.191 5 50 DEBA O=C(O)c1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 190796 LAXXNQDTKSMKOA-UHFFFAOYSA-N 312.237 2.094 5 50 DEBA CC(C)(C)c1noc(=O)n1Cc1nc2cc([N+](=O)[O-])ccc2o1 1875391500 GWWLNKFLOOBHFI-UHFFFAOYSA-N 318.289 2.232 5 50 DEBA O=C(Cn1cc([N+](=O)[O-])cn1)N1CCSC12CCCCC2 408516636 KLIXYUDINWZDNL-UHFFFAOYSA-N 310.379 2.027 5 50 DEBA C[C@H](Nc1ncc([N+](=O)[O-])cc1Br)C1(CO)CC1 585098780 ABPUCSHBQMXFFB-ZETCQYMHSA-N 316.155 2.325 5 50 DEBA O=C1c2cccnc2C(=O)N1c1ccc([N+](=O)[O-])cc1Cl 4127405 MFIYKHTXGYTFNT-UHFFFAOYSA-N 303.661 2.444 5 50 DEBA CCOc1ccc(C(=O)Cn2ccc(=N)cc2)cc1[N+](=O)[O-] 22018585 OGBVEACJDSJBPS-UHFFFAOYSA-N 301.302 2.157 5 50 DEBA biogenic O=C(N[C@@H]1COc2ccccc21)c1ccc(O)c([N+](=O)[O-])c1 164422958 HLOPNHIZLMFKGK-LLVKDONJSA-N 300.270 2.164 5 50 DEBA COCc1nnc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)s1 464311 FKRVDTUFABWQCB-QPJJXVBHSA-N 320.330 2.245 5 50 DEBA COC(=O)c1nc(CCNc2ccc([N+](=O)[O-])cn2)sc1C 1615587899 VEMWELLHMIPDSB-UHFFFAOYSA-N 322.346 2.196 5 50 DEBA CCOc1ccc(NC(=O)Cn2nc([N+](=O)[O-])cc2C)cc1 1070081 XWFPBVCJSVVNSJ-UHFFFAOYSA-N 304.306 2.137 5 50 DEBA C[C@@](CO)(NCc1ccc(F)cc1[N+](=O)[O-])c1cccc(O)c1 595496301 GRVXULBNYHFGRH-INIZCTEOSA-N 320.320 2.437 5 50 DEBA O=[N+]([O-])c1cccc(OCCN2CCCC[C@H]2c2nc[nH]n2)c1 121783965 QXTUYJHFCPQTRD-AWEZNQCLSA-N 317.349 2.319 5 50 DEBA C[C@H](O)C[C@@H](C)NC(=O)c1c(F)ccc(Cl)c1[N+](=O)[O-] 1775991013 JCCWDAODUXQXCI-RQJHMYQMSA-N 304.705 2.277 5 50 DEBA O=C(O)COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 5513358 FRTWCBCMUWFOSX-UHFFFAOYSA-N 316.269 2.311 5 50 DEBA O=[N+]([O-])c1ccc(N2[C@H]3CCCC[C@@]32N2CCOCC2)cc1 100758212 VRHUNKAVTYHKJL-MZQXSQAVSA-N 303.362 2.386 5 50 DEBA O=C(Nc1cccc(C(=O)O)c1O)c1cccc([N+](=O)[O-])c1 1429481 VYMPOWZIHFNIJA-UHFFFAOYSA-N 302.242 2.251 5 50 DEBA O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccc2c(c1)OCO2 456755 LIRSUYKAUMQUQA-UHFFFAOYSA-N 314.297 2.182 5 50 DEBA CCC(=O)O[C@H](COCc1ccccc1)C[N+]1(C)CCOCC1 4566231 NNHYXMNPGRJAPT-KRWDZBQOSA-N 322.425 2.002 5 50 DEBA O=C(O)[C@@H]1[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H]2C=C[C@H]1C2 100280016 GSDBCHAEOYYDKA-VDUILEQBSA-N 302.286 2.056 5 50 DEBA O=[N+]([O-])c1ccc(N2CCOCC2)cc1NC[C@H]1CCCO1 4187761 ZWQHTYKGWZXPCY-CYBMUJFWSA-N 307.350 2.022 5 50 DEBA CN(C)CCCN(CCCN(C)C)Cc1ccccc1[N+](=O)[O-] 2479792 NVXSNEWJHYFXOY-UHFFFAOYSA-N 322.453 2.300 5 50 DEBA O=[N+]([O-])c1ccccc1OCCN1CCCC[C@@H]1[C@H]1CCNC1 420401646 PMEAXDLHPBNDAQ-LSDHHAIUSA-N 319.405 2.438 5 50 DEBA CCn1cc([N+](=O)[O-])c(C(=O)N2CCCc3ccccc32)n1 1002383 ZZYHMPWJDMFYDN-UHFFFAOYSA-N 300.318 2.404 5 50 DEBA COc1cc([N+](=O)[O-])ccc1NC(=S)Nc1ccn(C)n1 6276449 QFMWBZRFERVDCX-UHFFFAOYSA-N 307.335 2.146 5 50 DEBA CC1(C)c2ccccc2CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 358979593 QYORLGTVUQIVHJ-UHFFFAOYSA-N 314.345 2.111 5 50 DEBA C[C@H](Nc1nc2sccn2c1[N+](=O)[O-])c1csc(=N)[nH]1 1875303803 NKKNFXGWVMUWTJ-YFKPBYRVSA-N 310.364 2.346 5 50 DEBA C[C@H](NC(=S)NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 2728094 NHRTYYONQUPNIA-NSHDSACASA-N 319.390 2.017 5 50 DEBA Cc1ccc(NC2=NS(=O)(=O)c3cc([N+](=O)[O-])ccc32)cc1 5363256 WHOAQHLHLQLCFU-UHFFFAOYSA-N 317.326 2.464 5 50 DEBA CN1CCN(Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 71256234 LIHFIIDGPWSVCX-UHFFFAOYSA-N 303.284 2.361 5 50 DEBA Cc1ccc(CN2CCC[C@@H](n3cncn3)C2)cc1[N+](=O)[O-] 179465929 HTFJNNWBPDGXMF-CQSZACIVSA-N 301.350 2.332 5 50 DEBA CCOC(=O)Cn1c(=O)n2c3ccccc3nc2c2ccccc21 952963683 JGNRLHJFGUHYIB-UHFFFAOYSA-N 321.336 2.366 5 50 DEBA O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc(C(F)F)nc1 598873606 NLGGYXQEOGVOSG-UHFFFAOYSA-N 311.248 2.153 5 50 DEBA Cc1nc(C2CN(c3ccc4ncccc4c3[N+](=O)[O-])C2)n[nH]1 904217419 DTJPXOATQBWDQN-UHFFFAOYSA-N 310.317 2.173 5 50 DEBA Cc1nn(CCCC(=O)n2cc(Cl)cn2)c(C)c1[N+](=O)[O-] 1431341 MBQWTSUODSZLAP-UHFFFAOYSA-N 311.729 2.379 5 50 DEBA C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H](CO)CC1 293081756 JRJDINGVFBBGSQ-OLZOCXBDSA-N 321.377 2.016 5 50 DEBA CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 195247 ZUHRWVKWJBNBJT-ZDUSSCGKSA-N 319.317 2.128 5 50 DEBA C[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(F)(F)F 3199440 JQDHTDPKIFABNL-YFKPBYRVSA-N 307.184 2.184 5 50 DEBA CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C 252516856 XJIPXCFLMIGVFO-LERXQTSPSA-N 320.345 2.186 5 50 DEBA CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC2(CCCC2)O1 354379844 GCDZRRBGWKCRGH-UHFFFAOYSA-N 307.350 2.487 5 50 DEBA Cc1cc(C)n(CCCNC(=O)c2ccc(F)cc2[N+](=O)[O-])n1 131637994 ZAQHQICVNUITOT-UHFFFAOYSA-N 320.324 2.367 5 50 DEBA C[C@H]1C[C@H](C)CN(c2ccc([N+](=O)[O-])cc2-c2nnn[nH]2)C1 12384986 NOECFXPPKQFUES-UWVGGRQHSA-N 302.338 2.257 5 50 DEBA Cc1cc(C)nc(NC(=O)COc2ccc([N+](=O)[O-])cc2)n1 309833 NGYSVJQGGVBXAM-UHFFFAOYSA-N 302.290 2.019 5 50 DEBA O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H]31 244695599 JPHFGKSBNFSTSP-WCBJTDJXSA-N 310.309 2.152 5 50 DEBA O=[N+]([O-])c1cccc(CN2CCN(Cc3cccnc3)CC2)c1 169337 NOPNOIXUJYVFCV-UHFFFAOYSA-N 312.373 2.308 5 50 DEBA O=[N+]([O-])c1cccc(NC(=S)N2CCC3(CC2)OCCO3)c1 610841 XSHSXTJLUPUCFK-UHFFFAOYSA-N 323.374 2.131 5 50 DEBA COc1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1Cl 2764793 KHGAHIZQFANFFK-UHFFFAOYSA-N 310.697 2.092 5 50 DEBA O=[N+]([O-])c1ccc(N2[C@@H]3CCCC[C@@]32N2CCOCC2)cc1 96032200 VRHUNKAVTYHKJL-LNKXUWQBSA-N 303.362 2.386 5 50 DEBA CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 164732322 XJIPXCFLMIGVFO-GDLCADMTSA-N 320.345 2.186 5 50 DEBA CCC[C@@H]1NC(=O)N(Cc2ccc([N+](=O)[O-])c(OCC)c2)C1=O 225436156 GEZZQFOZVMEQPV-NSHDSACASA-N 321.333 2.214 5 50 DEBA C[C@@H]1CN(C2CCOCC2)CCN1c1ccc(F)cc1[N+](=O)[O-] 278773530 LETWRYNEDDWGOE-GFCCVEGCSA-N 323.368 2.423 5 50 DEBA Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 239309808 HWGBWQBVDRKTPZ-TXFQPVFDSA-N 316.313 2.365 5 50 DEBA CSCC[C@H](C)NS(=O)(=O)Cc1csc([N+](=O)[O-])c1 1615604618 BBYZNACBSBVJFV-QMMMGPOBSA-N 324.449 2.217 5 50 DEBA O=C(Nc1cc(SCCO)cc([N+](=O)[O-])c1)C(F)(F)F 2114430 UIOGUUZUYSESLE-UHFFFAOYSA-N 310.253 2.180 5 50 DEBA C[C@H](C(=O)N1CCCCC1)[S@](=O)c1cccc([N+](=O)[O-])c1 888097547 PVGQZBOOLQYIMG-FIKIJFGZSA-N 310.375 2.103 5 50 DEBA CN(CCc1ccncc1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 169970866 VMJCOQVUJGTXLV-UHFFFAOYSA-N 301.302 2.010 5 50 DEBA CCOC(=O)c1ccc(I)c([N+](=O)[O-])c1 21990573 KWCKGPNDVFZONO-UHFFFAOYSA-N 321.070 2.376 5 50 DEBA CCOC(=O)c1cnn2c(-c3cccc([N+](=O)[O-])c3)ccnc12 2526586 GUONVENNSWEYCE-UHFFFAOYSA-N 312.285 2.481 5 50 DEBA C[C@H]1CCc2cc(F)ccc2N1C(=O)Cn1cc([N+](=O)[O-])cn1 998874 MPHGRGSUYWIERB-JTQLQIEISA-N 318.308 2.298 5 50 DEBA CCO[C@@H]1C[C@H](NC(=O)c2ccc(O)c([N+](=O)[O-])c2)C12CCC2 164759874 OHWIBJVDXZWSOW-UONOGXRCSA-N 320.345 2.378 5 50 DEBA O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2ccncc2F)c1 194626741 CZJADJCKOSUVQX-UHFFFAOYSA-N 311.294 2.071 5 50 DEBA COc1cc(C(=O)NCc2ccco2)c([N+](=O)[O-])cc1OC 263459 PWJWWJQTKQJCME-UHFFFAOYSA-N 306.274 2.135 5 50 DEBA CCC[C@H]1NC(=O)N(Cc2ccc([N+](=O)[O-])c(OCC)c2)C1=O 225436197 GEZZQFOZVMEQPV-LLVKDONJSA-N 321.333 2.214 5 50 DEBA CC[C@H](c1nc2c3ccccc3ncn2n1)n1cc([N+](=O)[O-])cn1 2806604 VPWJEXCNEHERED-CYBMUJFWSA-N 323.316 2.382 5 50 DEBA O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc(Cl)cn1 312646 UAGBFDNQYIKEDD-UHFFFAOYSA-N 303.661 2.444 5 50 DEBA O=C(NCCCc1nc[nH]n1)Nc1ccc(Cl)c([N+](=O)[O-])c1 241862561 SRCOOMHZCAKFNN-UHFFFAOYSA-N 324.728 2.121 5 50 DEBA COC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1 460573 OJIRILWKLTXZOY-XFXZXTDPSA-N 316.269 2.132 5 50 DEBA CCN1C[C@H](C)[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 591068588 BUBAUHMPYGNLPF-KSYCFECVSA-N 317.389 2.155 5 50 DEBA O=[N+]([O-])c1ccc(NC[C@@H]2CCCO2)nc1NC[C@H]1CCCO1 170610826 WXFDQWCDZAKPJI-NWDGAFQWSA-N 322.365 2.172 5 50 DEBA O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1COc2ccccc2O1 78766 ROZHPHAJMCSPIN-AWEZNQCLSA-N 300.270 2.373 5 50 DEBA O=C(c1ccco1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 3880217 BQHRMGZPBNIFPG-UHFFFAOYSA-N 301.302 2.150 5 50 DEBA COc1cc(Sc2n[nH]c(=N)s2)c([N+](=O)[O-])cc1OC 1857533532 CGOFLLXYENGSNR-UHFFFAOYSA-N 314.348 2.027 5 50 DEBA O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H]2c2cccs2)c1 241644161 POSWYWGDPOXOEB-OLZOCXBDSA-N 322.390 2.051 5 50 DEBA O=C(N[C@@H](CCO)c1ccco1)c1ccc([N+](=O)[O-])cc1F 187949719 UMSXSUGRADXSPG-LBPRGKRZSA-N 308.265 2.180 5 50 DEBA Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2O)cc1 5008984 WDJRRDHEWSSLQC-UHFFFAOYSA-N 308.315 2.410 5 50 DEBA O=[N+]([O-])c1ccccc1OCCN1CCCC[C@H]1[C@@H]1CCNC1 420401643 PMEAXDLHPBNDAQ-CABCVRRESA-N 319.405 2.438 5 50 DEBA Cn1cnc([N+](=O)[O-])c1Oc1ccc(N=S(C)(C)=O)cc1 585092460 XWGLAVYHQSAURT-UHFFFAOYSA-N 310.335 2.480 5 50 DEBA CCC(=O)OCCn1c(=O)c2ccccc2c2ccccc2c1=O 110465 WATSLEALHJWBAC-UHFFFAOYSA-N 323.348 2.468 5 50 DEBA Cc1ccnc(N2CC[C@H](n3cc(C4CC4)nn3)C2)c1[N+](=O)[O-] 952881723 IVVCEPHNMBAOOK-LBPRGKRZSA-N 314.349 2.219 5 50 DEBA CCOc1ccccc1NC(=O)[C@@H](C)Cn1cc([N+](=O)[O-])cn1 2784609 GZJXBFPYTHZZLF-NSHDSACASA-N 318.333 2.465 5 50 DEBA COC(=O)[C@]1(C)[C@H](c2ccc(C)cc2)[C@H]([N+](=O)[O-])[C@@H]2CCCN21 643919610 KCZDAYGAROCAGL-HWMZRRJGSA-N 318.373 2.134 5 50 DEBA Cc1occc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 3998691 ZQLVSBOILRKCGJ-UHFFFAOYSA-N 315.329 2.459 5 50 DEBA COc1ccccc1CNC(=O)COc1ccc([N+](=O)[O-])cc1 621021 VEHPOZGKXYLZDJ-UHFFFAOYSA-N 316.313 2.299 5 50 DEBA COc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)ccn1 328594051 LSHVWCYIQCCFBH-UHFFFAOYSA-N 323.330 2.108 5 50 DEBA COc1ccc(C(=O)O[C@@H]2C[C@@H]3CC[C@H](C2)[N@+]3(C)[O-])cc1OC 255274711 WAXSPCSJSGNROP-DIQHBZJVSA-N 321.373 2.498 5 50 DEBA Cc1cccn2c(=O)c(C=O)c(Nc3ccc([N+](=O)[O-])cc3)nc12 3864935 VCUMMOQOUBVOTP-UHFFFAOYSA-N 324.296 2.467 5 50 DEBA 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O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)OCO2 3382292 KMOKBGBFMIXDLG-UHFFFAOYSA-N 316.269 2.341 5 50 DEBA CC(C)Cn1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N)cn1 225541749 CIJBEESRSROMNR-UHFFFAOYSA-N 303.322 2.282 5 50 DEBA COc1ccc(CNC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 159870583 YVAODOZHJQYFPM-UHFFFAOYSA-N 302.286 2.239 5 50 DEBA C[C@@H]1OCC[C@]12CN(CCc1ccc([N+](=O)[O-])cc1)CCO2 280641884 ZNUGASLXMUNUFI-BBRMVZONSA-N 306.362 2.017 5 50 DEBA O=C(Nc1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccco1 5049882 KFNGBJMSGPUDFB-UHFFFAOYSA-N 317.301 2.277 5 50 DEBA CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 3135852 IANWPKUDMHXHRK-GFCCVEGCSA-N 306.318 2.010 5 50 DEBA O=C(NC[C@H]1Cc2ccccc2O1)c1ccc(O)c([N+](=O)[O-])c1 164180314 XDUVEIVXWPNSRD-GFCCVEGCSA-N 314.297 2.034 5 50 DEBA Cc1ccccc1NC(=O)Cn1nnc2c([N+](=O)[O-])cccc21 2325809692 YUYYTGYRRYSHMG-UHFFFAOYSA-N 311.301 2.287 5 50 DEBA O=[N+]([O-])c1ccc(-c2nc(-c3cnc4cnccn34)no2)cc1 225554626 WEZHSHGMAVREDC-UHFFFAOYSA-N 308.257 2.355 5 50 DEBA 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Cc1c(NC(=O)N2[C@H](C)C(=O)N[C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] 585120015 GGTOHRYRVIHBCT-HBNTYKKESA-N 320.349 2.032 5 50 DEBA Cc1c(NC(=O)N2[C@@H](C)[C@@H](C)NC(=O)[C@H]2C)cccc1[N+](=O)[O-] 585120016 GGTOHRYRVIHBCT-OUAUKWLOSA-N 320.349 2.032 5 50 DEBA COC(=O)c1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc([N+](=O)[O-])c1 183871 LCDWCJXQTCJFOO-QWRGUYRKSA-N 320.345 2.500 5 50 DEBA O=C(NC(=S)NCc1ccccc1)c1cccc([N+](=O)[O-])c1 302337 JWYIQHLBEMOMCS-UHFFFAOYSA-N 315.354 2.399 5 50 DEBA CCn1nc(C)c([N+](=O)[O-])c1Oc1cccc(-n2ccnn2)c1 192768994 GGIIJMXIYAJKNR-UHFFFAOYSA-N 314.305 2.493 5 50 DEBA CCOc1ccc(C(=O)NCc2cccnc2)cc1[N+](=O)[O-] 452110 ZDKDHHNGSGXAJU-UHFFFAOYSA-N 301.302 2.319 5 50 DEBA Cc1nc(N2CCC[C@H]2Cn2ccnc2C)ccc1[N+](=O)[O-] 151014562 HNULKLKFUGNZMK-ZDUSSCGKSA-N 301.350 2.472 5 50 DEBA CCn1ncc(CNC(=O)c2cccc([N+](=O)[O-])c2C)c1C 999874 SADKTHVMZAXTBU-UHFFFAOYSA-N 302.334 2.358 5 50 DEBA Cn1ccnc1[C@@H]1CCCN(c2cc(N)ccc2[N+](=O)[O-])C1 328586285 PHDYNRPAHCASAQ-LLVKDONJSA-N 301.350 2.295 5 50 DEBA 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2.341 5 50 DEBA Cc1ccnc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 4844684 ZZVVQORHEHIUGI-UHFFFAOYSA-N 307.331 2.407 5 50 DEBA CCC(=O)[C@H]1CCCCN1C(=O)c1ccc(O)c([N+](=O)[O-])c1 170599366 IQDPHHSPPUKMHB-LLVKDONJSA-N 306.318 2.274 5 50 DEBA O=C1c2ccccc2C(=O)N1CCOc1cccc([N+](=O)[O-])c1 5049425 URUUJTILNPXUJU-UHFFFAOYSA-N 312.281 2.270 5 50 DEBA CC(C)CO[C@@H]1CCN(C(=O)c2ccc(O)c([N+](=O)[O-])c2)C1 119197756 ILLHPHLUDFZKKP-GFCCVEGCSA-N 308.334 2.188 5 50 DEBA CC(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 170021264 LZIAWIGVIOHRDE-FZMZJTMJSA-N 308.334 2.091 5 50 DEBA Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 239309807 HWGBWQBVDRKTPZ-DUBDDPSESA-N 316.313 2.365 5 50 DEBA C[C@@H](Nc1ncc([N+](=O)[O-])cc1Br)C1(CO)CC1 585098779 ABPUCSHBQMXFFB-SSDOTTSWSA-N 316.155 2.325 5 50 DEBA O=C(Cn1cnc([N+](=O)[O-])c1)Nc1ccccc1C(F)(F)F 336289 SVNHFNRGLFWSNJ-UHFFFAOYSA-N 314.223 2.449 5 50 DEBA C[C@@H](O)C[C@@H](C)NC(=O)c1c(F)ccc(Cl)c1[N+](=O)[O-] 1775991012 JCCWDAODUXQXCI-RNFRBKRXSA-N 304.705 2.277 5 50 DEBA O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1[N+](=O)[O-])[C@H]1C=C[C@H]2C12CC2 101356514 YLYYKLJYPGBNNM-MHWZDGSBSA-N 310.309 2.296 5 50 DEBA C[C@@H](CN=c1ccc2ccc3cccnc3c2[nH]1)N1CCOCC1 1875293851 FNMNHSTWGSYCNX-AWEZNQCLSA-N 322.412 2.338 5 50 DEBA O=[N+]([O-])c1ccccc1N1CCC(NC2CCOCC2)CC1 952994210 NIYGGYFGTYOLPO-UHFFFAOYSA-N 305.378 2.332 5 50 DEBA CN(C)CCCN1C(=O)CS[C@H]1c1cccc([N+](=O)[O-])c1 31847 JTGAQOPTLOQKIV-AWEZNQCLSA-N 309.391 2.121 5 50 DEBA COC(=O)c1cc(C)nc(N(C)Cc2ccccc2[N+](=O)[O-])n1 408515586 VNNGBTSYMFBGMC-UHFFFAOYSA-N 316.317 2.116 5 50 DEBA O=C(O)c1cc(Nc2ccc3nonc3c2[N+](=O)[O-])ccc1O 3880479 XKJFWNICDKASPE-UHFFFAOYSA-N 316.229 2.278 5 50 DEBA O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@H](c2cn[nH]c2)C1 170599055 CTSGPIKQBHMVJU-SNVBAGLBSA-N 316.317 2.043 5 50 DEBA CC[C@@H](C)N(CC(=O)O)C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] 170683188 SZRTVTHQMNVEFZ-BREXMAIKSA-N 324.308 2.459 5 50 DEBA C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[C@H]1O 252671772 OEUVFQSHXHUZOE-COPLHBTASA-N 324.402 2.353 5 50 DEBA O=C(/C=C/c1ccccc1[N+](=O)[O-])NCCCn1ccnc1 2829202 WWHXAMXEMZVIKN-VOTSOKGWSA-N 300.318 2.011 5 50 DEBA O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 3885223 IYPKFPRPNYXJDZ-UHFFFAOYSA-N 304.755 2.423 5 50 DEBA CN(C(=O)c1cccc([N+](=O)[O-])c1O)[C@@H]1[C@H]2CCO[C@H]2C1(C)C 252515052 GKRQPBCFYNBRSP-LERXQTSPSA-N 320.345 2.186 5 50 DEBA O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@@H]1[C@H]1CCCO1 285688721 FQNQJUIEIWRAQM-ZIAGYGMSSA-N 306.318 2.084 5 50 DEBA O=C(O)c1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(O)c1 190205 IFUQYQDVUZGQJO-UHFFFAOYSA-N 302.242 2.251 5 50 DEBA COc1ccc([N+](=O)[O-])c(C(=O)NCC(=O)c2cccs2)c1 125856810 RIVWZBNKTKIWJR-UHFFFAOYSA-N 320.326 2.278 5 50 DEBA O=c1c2ccccc2ncn1CCOc1cccc([N+](=O)[O-])c1 4841992 ROTXENHUOPEVOG-UHFFFAOYSA-N 311.297 2.384 5 50 DEBA O=C(CNCc1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-] 52537584 PZGXMBASLWHTCY-UHFFFAOYSA-N 303.293 2.462 5 50 DEBA O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccccc1C(F)(F)F 1427943 DYIJSLRCJTZZCL-UHFFFAOYSA-N 314.223 2.449 5 50 DEBA O=[N+]([O-])c1cc(Br)cc(NS(=O)(=O)C2CC2)c1 340723984 LJDUORNRRAFOSS-UHFFFAOYSA-N 321.152 2.261 5 50 DEBA O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccccc2)c([N+](=O)[O-])c1 3086349 UONNCRCRHHFOAA-UHFFFAOYSA-N 324.270 2.271 5 50 DEBA CCC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2C(C)=O)C1 225822492 XEIGNZFLYXUULC-LLVKDONJSA-N 305.334 2.220 5 50 DEBA Cc1nn(CC(=O)N2c3ccccc3C[C@@H]2C)c(C)c1[N+](=O)[O-] 2753578 SMRQSZJTCNWION-JTQLQIEISA-N 314.345 2.386 5 50 DEBA CC(C)C[C@H](Nc1sc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O 5230709 JMSOMTOPIWLYPV-LURJTMIESA-N 303.296 2.476 5 50 DEBA Cc1ccc(C(=O)NC(=S)NCc2ccco2)cc1[N+](=O)[O-] 1049947 LFQNSXWYPPGCNJ-UHFFFAOYSA-N 319.342 2.301 5 50 DEBA CCc1cc(C(=O)NCCn2nc([N+](=O)[O-])cc2C)cs1 20607074 ZLLCGNBKIUCTDP-UHFFFAOYSA-N 308.363 2.154 5 50 DEBA O=C(O)c1cc(Nc2ccc([N+](=O)[O-])c3nonc23)ccc1O 3880478 MMZZTWDZDBGUML-UHFFFAOYSA-N 316.229 2.278 5 50 DEBA Cc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2N)cc1 5260149 QKWNJNWPGTVRKM-UHFFFAOYSA-N 307.331 2.286 5 50 DEBA O=C(NC[C@H]1COc2ccccc2O1)c1ccc([N+](=O)[O-])cc1 271003 XXMDQUAYDKDJOT-ZDUSSCGKSA-N 314.297 2.165 5 50 DEBA Nc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] 43214748 UYPLHJRXJHHRTH-UHFFFAOYSA-N 312.278 2.084 5 50 DEBA Cc1nn(CC(=O)N[C@H](C)c2ccccc2)c(C)c1[N+](=O)[O-] 196120 XFKRJJZWUYEDJE-SNVBAGLBSA-N 302.334 2.286 5 50 DEBA O=C(NC[C@@H]1COc2ccccc2O1)c1cccc([N+](=O)[O-])c1 282973 CBRRLPJQCONJKI-CYBMUJFWSA-N 314.297 2.165 5 50 DEBA Cc1ccc(NC(=O)CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 529077 WYSXARPEJHZHSU-UHFFFAOYSA-N 313.313 2.272 5 50 DEBA Cc1ccc(CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 4699495 FIDHQXOPVFWXPW-UHFFFAOYSA-N 313.313 2.158 5 50 DEBA O=C(CCCn1cc([N+](=O)[O-])cn1)Nc1ccc(F)cc1F 1423797 XYIZZCZFWSWDAY-UHFFFAOYSA-N 310.260 2.488 5 50 DEBA NC(=O)c1nn(Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 4594194 ZLIRHGGYLULXOJ-UHFFFAOYSA-N 315.116 2.245 5 50 DEBA COC(=O)c1cc(C(=O)Nc2nccs2)cc([N+](=O)[O-])c1 60849 VOKUUBLCYXZVFG-UHFFFAOYSA-N 307.287 2.090 5 50 DEBA C[N+]1(C)CC[C@@H](OC(=O)[C@](O)(c2ccccc2)C2CCCC2)C1 896968 ANGKOCUUWGHLCE-MJGOQNOKSA-N 318.437 2.456 5 50 DEBA fda COC(=O)[C@@H]1[C@@H](OC(C)=O)C=CC[C@H]1c1ccc([N+](=O)[O-])cc1 4570814 SLBNRWJSUPMDFH-KKUMJFAQSA-N 319.313 2.359 5 50 DEBA O=[N+]([O-])c1cc([N+](=O)[O-])c(N2CCCCCC2)cc1NCCO 3880488 DSRGSSHFKNEBGB-UHFFFAOYSA-N 324.337 2.288 5 50 DEBA O=C(O)C1=CCC=C[C@@H]1Nc1cc([N+](=O)[O-])ccc1C(=O)O 3051815 MVCPAQYLBVWUFK-NSHDSACASA-N 304.258 2.044 5 50 DEBA Cn1cc([C@H]2C[C@@H](Nc3ncccc3[N+](=O)[O-])CCO2)cn1 585092310 ONCXTJJTOVQOSP-WCQYABFASA-N 303.322 2.056 5 50 DEBA CC(C)C[C@@H](Nc1sc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O 5230732 JMSOMTOPIWLYPV-ZCFIWIBFSA-N 303.296 2.476 5 50 DEBA C[N+](C)(C)[B-](c1ccccc1)(c1ccccc1)c1ccccc1 169838938 GLEUUKGMLHJIPG-UHFFFAOYSA-N 301.242 2.360 5 50 DEBA NC(=O)c1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 3878819 JGSVQGYSOIQANN-UHFFFAOYSA-N 302.246 2.346 5 50 DEBA COC(=O)[C@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)O1 253397780 AUMRYASALPTUSD-PRHODGIISA-N 314.725 2.015 5 50 DEBA CC(C)(C)OC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 26898790 FXKKCZGSSAXGMV-UHFFFAOYSA-N 308.338 2.047 5 50 DEBA in-vitro CCOc1ccc(C(=O)Cn2ccccc2=N)cc1[N+](=O)[O-] 100292124 JHFPTRUHPZFSBX-UHFFFAOYSA-N 301.302 2.157 5 50 DEBA COC(=O)c1ccn(COc2ccc([N+](=O)[O-])cc2Cl)n1 2536975 NWTFJUFIHFUIMQ-UHFFFAOYSA-N 311.681 2.268 5 50 DEBA Cc1nn(Cc2ccc([N+](=O)[O-])cc2)c(=O)n1-c1ccccc1 4089160 UJFJYAGRENONLK-UHFFFAOYSA-N 310.313 2.299 5 50 DEBA C[C@@H]1OCC[C@@]12CN(CCc1ccc([N+](=O)[O-])cc1)CCO2 280641902 ZNUGASLXMUNUFI-XJKSGUPXSA-N 306.362 2.017 5 50 DEBA O=c1/c(=C/c2ccccc2[N+](=O)[O-])sc2nc3ccccc3n12 13477807 YGDCSUPYSNHRJH-ZROIWOOFSA-N 323.333 2.365 5 50 DEBA O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O 136083124 IZLBEBJCQRDHBE-WTTBSCSTSA-N 304.302 2.280 5 50 DEBA Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1[N+](=O)[O-] 4611144 PKDVYESCLQKOOJ-UHFFFAOYSA-N 306.343 2.382 5 50 DEBA Cc1c(C(=O)N2CCSCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 3106249 WVJUDBKDLRWESB-UHFFFAOYSA-N 311.319 2.000 5 50 DEBA O=[N+]([O-])c1c(N2CCC(n3cccn3)CC2)nc2sccn12 225520422 BSTGCDGHIKAWHF-UHFFFAOYSA-N 318.362 2.342 5 50 DEBA Cn1nccc1[C@H]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)C1 368485217 VJELTUBDTPAVLE-JTQLQIEISA-N 320.374 2.410 5 50 DEBA O=C(O)c1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(O)cc1 3152566 SHTGOCHKEWBOCM-UHFFFAOYSA-N 302.242 2.251 5 50 DEBA CCOC(=O)CNc1ccc(Br)cc1[N+](=O)[O-] 37564196 ACOOABNWNPCOAB-UHFFFAOYSA-N 303.112 2.332 5 50 DEBA Cc1cc(N2CCC[C@H](CN3CC[C@H](O)C3)C2)ccc1[N+](=O)[O-] 585132816 XFTNYKVZIQMDPQ-ZBFHGGJFSA-N 319.405 2.186 5 50 DEBA O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc(Cl)cn1 239291 MZIDXSFYUWDXIU-UHFFFAOYSA-N 303.661 2.444 5 50 DEBA COc1ccc2c3c1O[C@@H]1[C@H]3[C@@H](C=C[C@H]1O)CC[N+](C)(C)C2 1772492944 AKJAUQPVWVZPQX-QOOGKBOQSA-N 302.394 2.067 5 50 DEBA O=[N+]([O-])c1cccc(CN2CCN(Cc3ccccn3)CC2)c1 178673 CFYGXJWDAJBFIU-UHFFFAOYSA-N 312.373 2.308 5 50 DEBA CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 252516857 XJIPXCFLMIGVFO-ZLKJLUDKSA-N 320.345 2.186 5 50 DEBA COc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 3832496 NHEAQAMNXXRBQT-UHFFFAOYSA-N 308.315 2.404 5 50 DEBA Nc1ccc([N+](=O)[O-])c(N2CCN([C@@H]3C[C@H]4CC[C@H]3C4)CC2)c1 225409023 MOYCRIHEAHWQGL-HEHGZKQESA-N 316.405 2.488 5 50 DEBA Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 239425809 VHKRHDANWAQKGM-UNXFNURESA-N 324.336 2.461 5 50 DEBA Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])no1 225420362 KTVNBFAZDIMUDY-UHFFFAOYSA-N 317.710 2.345 5 50 DEBA COc1cc(C=O)cc([N+](=O)[O-])c1I 71864049 WVDDJASTMZNUNH-UHFFFAOYSA-N 307.043 2.021 5 50 DEBA in-vitro COc1ccc(C(=O)Nn2cc3cc([N+](=O)[O-])ccc3n2)cc1 1195797 ARKRIEGDHJSONT-UHFFFAOYSA-N 312.285 2.337 5 50 DEBA CCN(CC)c1ccc(C2=NNC(=O)C[C@@H]2C)cc1[N+](=O)[O-] 4178780 YOSSKNZHADPXJX-JTQLQIEISA-N 304.350 2.301 5 50 DEBA C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccncc1 4750548 UXXRTQKUZDTIBJ-LLVKDONJSA-N 301.302 2.074 5 50 DEBA CCOC(=O)C1=C(C)NC(=O)C[C@@H]1c1cccc([N+](=O)[O-])c1 256328 QCUWAWAFSOAOLT-GFCCVEGCSA-N 304.302 2.035 5 50 DEBA O=C1OCC[C@H]1Sc1nnc(-c2ccccc2[N+](=O)[O-])o1 617223 XBZMRYMSFGFRPT-SECBINFHSA-N 307.287 2.052 5 50 DEBA O=C(O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 100652218 IZLBEBJCQRDHBE-VDUILEQBSA-N 304.302 2.280 5 50 DEBA COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Br 1610611 XSJXJYYYTKHXQW-UHFFFAOYSA-N 305.040 2.052 5 50 DEBA O=C(NC[C@H]1COc2ccccc2O1)c1cccc([N+](=O)[O-])c1 2928665 CBRRLPJQCONJKI-ZDUSSCGKSA-N 314.297 2.165 5 50 DEBA C[N@@+]1(Cc2cc(O)nc(O)n2)CCc2[nH]c3ccccc3c2C1 253504319 YWMJGBXUYGVISY-NRFANRHFSA-O 311.365 2.072 5 50 DEBA biogenic CO[C@]1(C)C[C@H](NC(=O)c2ccc(O)c([N+](=O)[O-])c2)C1(C)C 164843962 GDGNMLOGJWVZFL-SWLSCSKDSA-N 308.334 2.234 5 50 DEBA C[C@H]1CN(c2ccnc3c([N+](=O)[O-])cccc23)CC[S@@](=O)C1 432139802 MZDKGEQPIDEFHS-KPWVOAKYSA-N 319.386 2.348 5 50 DEBA Cc1cnc(NC(=O)[C@@H](C)Cn2nc(C)c([N+](=O)[O-])c2C)s1 2792188 NHDDFEJUXPLYHL-ZETCQYMHSA-N 323.378 2.448 5 50 DEBA Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O 239425810 VHKRHDANWAQKGM-XMDOAZLISA-N 324.336 2.461 5 50 DEBA Cc1cn(C[C@@H](O)COc2ccccc2Cl)nc1[N+](=O)[O-] 280464328 XPDGOHJTLRSFFN-SNVBAGLBSA-N 311.725 2.193 5 50 DEBA Cc1noc([C@@H]2CCCN(c3cc(N)ccc3[N+](=O)[O-])C2)n1 192782023 YMNUEBWIMBHKFH-SNVBAGLBSA-N 303.322 2.252 5 50 DEBA COC(=O)[C@H](CC(C)C)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 2988537 BSJWLQOIARYWRE-NPQIQWPPSA-N 320.345 2.312 5 50 DEBA CCOC(=O)c1cn(CCNc2ccc([N+](=O)[O-])cc2)cn1 225534302 CBCWYCYDNZMKHC-UHFFFAOYSA-N 304.306 2.080 5 50 DEBA O=c1c(Cl)cc([N+](=O)[O-])cn1Cc1nc2ccccc2[nH]1 357472184 KWURWKBXQMAWNE-UHFFFAOYSA-N 304.693 2.335 5 50 DEBA CN1CCN(c2cc(F)c(Br)cc2[N+](=O)[O-])CC1 4053567 MPGYSAJHWBDYJE-UHFFFAOYSA-N 318.146 2.248 5 50 DEBA O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1c1ccccc1[N+](=O)[O-] 245226713 JEBWFSNKIKHTIJ-JSBGKLSNSA-N 310.309 2.152 5 50 DEBA CCOC(=O)c1c(C(F)(F)F)nc2ccc([N+](=O)[O-])cn12 1848351033 PRVSQDVZYWWFHX-UHFFFAOYSA-N 303.196 2.438 5 50 DEBA Cc1cc([N+](=O)[O-])nn1[C@@H](C)c1nc2c3ccccc3ncn2n1 2806662 LYIYBKSCFRWKRU-JTQLQIEISA-N 323.316 2.300 5 50 DEBA COC(=O)C1=C(C)N(C)C(=O)N(C)[C@@H]1c1cccc([N+](=O)[O-])c1 193956 SARRFWRZHOHKDX-CYBMUJFWSA-N 319.317 2.080 5 50 DEBA Cc1cc(N2CCN(c3cnccn3)[C@@H](C)C2)ccc1[N+](=O)[O-] 1616031377 SUPLYKHIJFDLFQ-ZDUSSCGKSA-N 313.361 2.408 5 50 DEBA C[C@@H](C(=O)N1CCCc2ccccc21)n1cc([N+](=O)[O-])cn1 4686901 WKQDGHYDOOGXII-NSHDSACASA-N 300.318 2.332 5 50 DEBA Cc1ccnc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 3832979 MANOVGZUQYKWCR-UHFFFAOYSA-N 307.331 2.407 5 50 DEBA C[C@](O)(CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)C1CC1 601263442 LAPZNLQYCWPHEJ-INIZCTEOSA-N 318.373 2.294 5 50 DEBA C[C@@H](C(=O)Nc1ccccc1C(N)=O)c1ccc([N+](=O)[O-])cc1 472170 RMABBMXMDARRMC-SNVBAGLBSA-N 313.313 2.436 5 50 DEBA CCCCNC(=O)c1nsnc1-c1cc([N+](=O)[O-])ccc1O 36246489 XISOMRUUEFQIOC-UHFFFAOYSA-N 322.346 2.349 5 50 DEBA CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](O)[C@H](C)C2)c1 166950241 IGDVRPACGBVCLI-RNCFNFMXSA-N 310.375 2.160 5 50 DEBA Nc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(Cl)cn1 189179741 TZOKTNRUDFJUGY-UHFFFAOYSA-N 306.709 2.155 5 50 DEBA CCOCC1CCN(C(=O)c2ccc(O)c([N+](=O)[O-])c2)CC1 160346608 RYXZPXXWJAGNNV-UHFFFAOYSA-N 308.334 2.189 5 50 DEBA Cc1ccc2c(Cn3ccc(=O)c([N+](=O)[O-])c3)ccc(O)c2n1 170090986 LSORMQWTKBZNHO-UHFFFAOYSA-N 311.297 2.367 5 50 DEBA CN(C(=O)c1cccc([N+](=O)[O-])c1O)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 158660182 GKRQPBCFYNBRSP-HONMWMINSA-N 320.345 2.186 5 50 DEBA Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)N1CCCC[C@H]1C 448944 BENCVBCEONUBEL-MRVPVSSYSA-N 300.746 2.154 5 50 DEBA CSc1nnc(SCCn2c([N+](=O)[O-])cnc2C)s1 2484625 JKCHOBOTTUKVAQ-UHFFFAOYSA-N 317.421 2.465 5 50 DEBA O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1cccc([N+](=O)[O-])c1 2923758 DPCNTBSHWVAIPN-UHFFFAOYSA-N 313.225 2.304 5 50 DEBA O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCOCC1 4187774 PIEMTCGZAHVJIB-UHFFFAOYSA-N 319.361 2.058 5 50 DEBA CCOC(=O)NC(NC(=O)OCC)c1cccc([N+](=O)[O-])c1 1562903 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O=C(N[C@@H]1COc2ccccc21)c1cccc([N+](=O)[O-])c1O 127675626 CKVFPLFTABFTLB-LLVKDONJSA-N 300.270 2.164 5 50 DEBA CCn1c(S)nnc1CCNc1ccc([N+](=O)[O-])c(C)c1 1776004970 VBAALXSMMNKOFV-UHFFFAOYSA-N 307.379 2.458 5 50 DEBA Cc1c(NC(=O)N[C@H]2CCCC23OCCO3)cccc1[N+](=O)[O-] 585119964 CLOQHKJJXZEAAG-ZDUSSCGKSA-N 321.333 2.320 5 50 DEBA CC(=O)c1cccc(NC(=O)c2n[nH]c([N+](=O)[O-])c2Cl)c1 5613588 JPPSXKPYQUKBMP-UHFFFAOYSA-N 308.681 2.426 5 50 DEBA Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)N1CCCC[C@@H]1C 448946 BENCVBCEONUBEL-QMMMGPOBSA-N 300.746 2.154 5 50 DEBA CCc1c[nH]c(SCc2ccc(C(N)=O)cc2[N+](=O)[O-])n1 128922298 JNHHFKVWVCZSRS-UHFFFAOYSA-N 306.347 2.272 5 50 DEBA O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc(Cl)c(Cl)c1 312550 GAOMSPNPNHCTPY-UHFFFAOYSA-N 316.104 2.132 5 50 DEBA CC1(C)CC(=O)[C@@H]([C@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)N1 4785599 RAWHSNLAWGRMQI-UONOGXRCSA-N 306.362 2.364 5 50 DEBA Cc1nc(CNC(=O)c2cc([N+](=O)[O-])ccc2N)c(C)s1 170605170 VYMBOYXEALUODW-UHFFFAOYSA-N 306.347 2.180 5 50 DEBA CCN1CCC[C@H](N(C=O)Cc2ccc(C)c([N+](=O)[O-])c2)C1 1875325879 WOQPXDIVEPCVNO-HNNXBMFYSA-N 305.378 2.346 5 50 DEBA Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCCN1CCCC1=O 17055180 NDMKFFQUJWNHST-UHFFFAOYSA-N 320.349 2.037 5 50 DEBA COc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)c([N+](=O)[O-])c1 4904401 PNKNGNCRGVACQM-WDEREUQCSA-N 322.317 2.433 5 50 DEBA C[C@H]1[C@H](C)CCN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 252486062 DEUWMUIZJBGQFJ-NEPJUHHUSA-N 312.391 2.099 5 50 DEBA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 239038950 FEJDYDOXAGLJBF-GYBADROVSA-N 320.276 2.195 5 50 DEBA O=[N+]([O-])c1ccc(CN2CCC(Cn3ccnn3)CC2)cc1F 253420824 MIUHLPIDSWDCBS-UHFFFAOYSA-N 319.340 2.238 5 50 DEBA O=c1cc(C(F)(F)F)ncn1-c1ccc([N+](=O)[O-])cc1F 261494872 OTAGNLXZAZSJPE-UHFFFAOYSA-N 303.171 2.299 5 50 DEBA CC(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 170021271 LZIAWIGVIOHRDE-RISCZKNCSA-N 308.334 2.091 5 50 DEBA CCCc1nc(Cn2nc(C)c3cc([N+](=O)[O-])cnc32)no1 585123172 ZHGBUIWKCRTRBE-UHFFFAOYSA-N 302.294 2.032 5 50 DEBA CCOc1ccccc1CNC(=O)c1nn(CC)cc1[N+](=O)[O-] 356031 VRZYJKMVDAVVLL-UHFFFAOYSA-N 318.333 2.140 5 50 DEBA Cc1nc(N2CC(O)(c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] 253429168 PIYVJRJHROHUBH-UHFFFAOYSA-N 303.293 2.145 5 50 DEBA O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H](c2ncon2)C1 952883157 RKIXJFODBVNBSJ-QMMMGPOBSA-N 322.708 2.261 5 50 DEBA Cc1ccnc(NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)c1[N+](=O)[O-] 253393133 TUPSUCWLDTXJEJ-GXTWGEPZSA-N 321.377 2.278 5 50 DEBA O=C1[C@H]2[C@H](C(=O)N1c1cccc([N+](=O)[O-])c1)[C@H]1C=C[C@H]2C12CC2 239274892 AVTTZUXWWZWWCH-AAVRWANBSA-N 310.309 2.296 5 50 DEBA COc1ccc(OCCNC(=O)c2ccccc2[N+](=O)[O-])cc1 2905019 NVEPLEQJIAXNFZ-UHFFFAOYSA-N 316.313 2.412 5 50 DEBA O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1)[C@@H]1C[C@@H]31 239128707 KQWIHAFWGICYBX-WCBJTDJXSA-N 310.309 2.152 5 50 DEBA COc1cnccc1[C@H](C)NC(=O)c1cc([N+](=O)[O-])cnc1C 170087214 JGVDUSMIVRTFGM-JTQLQIEISA-N 316.317 2.193 5 50 DEBA CCOc1cc([N+](=O)[O-])cc(/C=C2/SC(=O)NC2=O)c1O 13476648 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317.330 2.348 5 50 DEBA CCCN1CCN(c2ncnc3cccc([N+](=O)[O-])c23)CC1 337911868 JWNNMMZMPKXKJJ-UHFFFAOYSA-N 301.350 2.070 5 50 DEBA CC[N+](CC)(CC)C[C@H](O)Cn1c(=O)sc2ccccc21 405487 PYYYWBHWIQXCOR-CYBMUJFWSA-N 309.455 2.300 5 50 DEBA Cc1[nH]nc(C(=O)Nc2cnc3c(c2)CCCC3)c1[N+](=O)[O-] 332200328 XASIGMUWGGWMAS-UHFFFAOYSA-N 301.306 2.152 5 50 DEBA C[C@@H]1CN(c2ccnc3c([N+](=O)[O-])cccc23)CC[S@@](=O)C1 432139803 MZDKGEQPIDEFHS-RKFFSXRUSA-N 319.386 2.348 5 50 DEBA O=C1CC[C@H]([N+](=O)[O-])[C@@H](c2cc(Br)ccc2F)N1 90341 COABYOWXAKKPPG-GXSJLCMTSA-N 317.114 2.185 5 50 DEBA O=C1CCCCN1C12CC(Nc3cccnc3[N+](=O)[O-])(C1)C2 2325784130 BSXWIWMTRYALGX-UHFFFAOYSA-N 302.334 2.089 5 50 DEBA Cc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)c2ccco2)CC1 4703656 SVMQYZRDIQLLHZ-UHFFFAOYSA-N 315.329 2.459 5 50 DEBA CN(C)S(=O)(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 340728522 CGNDLFOONCXXKT-UHFFFAOYSA-N 301.368 2.111 5 50 DEBA O=[N+]([O-])c1ccc(Sc2nc(-c3ccncc3)n[nH]2)nc1 5593724 YDPRKVRSNOCYST-UHFFFAOYSA-N 300.303 2.321 5 50 DEBA O=C(C[C@@]1(O)C(=O)Nc2ccccc21)c1ccccc1[N+](=O)[O-] 458742 TULHRGGKLQRKJB-INIZCTEOSA-N 312.281 2.008 5 50 DEBA Cc1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4C[C@H]2C[C@H]34)cc1[N+](=O)[O-] 4821125 YIFNJDUNMROQMD-MSERBFRVSA-N 316.313 2.039 5 50 DEBA O=C(NCCc1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1 47730 YRKQEVHZBYTOMJ-UHFFFAOYSA-N 310.313 2.444 5 50 DEBA O=[N+]([O-])c1ccc(N2CCOCC2)c(F)c1Br 4183908 IBNQNLQVNNZKDQ-UHFFFAOYSA-N 305.103 2.333 5 50 DEBA CN1CCN(c2cc(N3CCCC3)c(F)cc2[N+](=O)[O-])CC1 4873180 FETWKANGXJUEDP-UHFFFAOYSA-N 308.357 2.086 5 50 DEBA O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1[C@@H]1CCCO1 285837903 OTSGMTVSYPXBIF-GJZGRUSLSA-N 320.345 2.144 5 50 DEBA CCO[C@@H]1C[C@@H](NC(=O)c2ccc(O)c([N+](=O)[O-])c2)C12CCC2 164760101 OHWIBJVDXZWSOW-ZIAGYGMSSA-N 320.345 2.378 5 50 DEBA O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N1CCCC1 8429815 JIEOGJQCMRTRJP-UHFFFAOYSA-N 324.280 2.489 5 50 DEBA COC[C@@H](NC(=O)c1ccc(O)c([N+](=O)[O-])c1)c1ccccc1 160217212 KHBHTAIWWPEHID-CYBMUJFWSA-N 316.313 2.418 5 50 DEBA Cc1ccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-] 239331344 KNBCCCSPBSJIQQ-DUBDDPSESA-N 300.314 2.439 5 50 DEBA O=C(NOC1CCCC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 272111672 NQMQPGUIPCNDOY-UHFFFAOYSA-N 316.317 2.385 5 50 DEBA CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(C(C)=O)c2)n1 356010 LYCSJXYVUNRAAR-UHFFFAOYSA-N 302.290 2.266 5 50 DEBA Cn1c(=O)c([N+](=O)[O-])c(NC[C@@H]2CCCO2)c2ccccc21 5061775 OXFMCQCXTYOOQV-JTQLQIEISA-N 303.318 2.038 5 50 DEBA O=[N+]([O-])c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 198666 WYAWSKLQKNUOHE-UHFFFAOYSA-N 304.327 2.346 5 50 DEBA CN1CCN(c2cc(N3CCCCC3)c(F)cc2[N+](=O)[O-])CC1 4873120 JTOSYTUOPAVOQX-UHFFFAOYSA-N 322.384 2.476 5 50 DEBA CNc1cc(N2CCN(C(=O)C(C)(C)C)CC2)ccc1[N+](=O)[O-] 4703748 RGMAFXPHNFKMGE-UHFFFAOYSA-N 320.393 2.331 5 50 DEBA Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)[C@H]3C[C@H]3[N+](=O)[O-])nc2c1 248330091 FHJKZSDASAMDPP-LEWSCRJBSA-N 314.345 2.200 5 50 DEBA COC1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 169987768 OLCFZJLWRIRTLX-UHFFFAOYSA-N 308.334 2.330 5 50 DEBA Cc1ccccc1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 5027833 XSMNFEWFKQCRDA-UHFFFAOYSA-N 306.343 2.382 5 50 DEBA O=C(c1ccco1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 19773875 XXTYMYFWVATDNZ-UHFFFAOYSA-N 315.329 2.146 5 50 DEBA CC1=NN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)[C@@](O)(C(F)F)C1 17052292 QQCFSIPPEZQQNI-ZDUSSCGKSA-N 313.260 2.079 5 50 DEBA COC(=O)C1=C(C)NC(=O)C[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 132130 NMCYFWRVPDQREG-SECBINFHSA-N 324.720 2.299 5 50 DEBA O=C(CCSc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCO1 618221 KSFAKGPLOMYEHO-GFCCVEGCSA-N 310.375 2.372 5 50 DEBA O=C(CCN1CCO[C@H]2CCC[C@H]21)Nc1cccc([N+](=O)[O-])c1 230132488 ZCQHQSSGEPUYTB-CABCVRRESA-N 319.361 2.177 5 50 DEBA Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CSCCS1 176664731 WPDUOCWLHLCZNT-NSHDSACASA-N 312.416 2.482 5 50 DEBA CC[S@](=O)[C@@H]1CCC[C@@H](Nc2c([N+](=O)[O-])c(C)nn2C)C1 301513897 BJBGPXQRZZUKAE-BJFPOWJFSA-N 314.411 2.128 5 50 DEBA CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1[N+](=O)[O-])C(=O)O 2574693 BSHMNGMAJNWNBP-JTQLQIEISA-N 310.306 2.115 5 50 DEBA in-vitro O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CNc1ccc(F)cc1 99045 QSVSBPQJFWCVKF-UHFFFAOYSA-N 315.260 2.400 5 50 DEBA COC(=O)Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Br 2831227 YVPUMXANYVNANK-UHFFFAOYSA-N 320.055 2.444 5 50 DEBA Cc1ccc([N+](=O)[O-])c(OCCCCN2CCN(C)CC2)c1 4842547 YGMQPYFWKQDOAH-UHFFFAOYSA-N 307.394 2.310 5 50 DEBA Cc1cc([N+](=O)[O-])ccc1NC(=O)CCC(=O)N1CCCC1 6700761 ZIULPMSYRHYHCX-UHFFFAOYSA-N 305.334 2.244 5 50 DEBA Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2ccsc2C1 170605177 INUWHFPRXJOEMW-UHFFFAOYSA-N 303.343 2.437 5 50 DEBA CC[C@@H](Sc1nncn1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 4094127 LYUBOOLQGFKVPV-LLVKDONJSA-N 321.362 2.233 5 50 DEBA CCN1C[C@@H](C)N(CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C 346203175 YTHOIIPGBNTNIS-ZIAGYGMSSA-N 307.394 2.388 5 50 DEBA COc1n[nH]c(C(=O)Nc2nc3ccccc3s2)c1[N+](=O)[O-] 4631388 OQAUJRXHTUUBCV-UHFFFAOYSA-N 319.302 2.189 5 50 DEBA O=C(c1ccco1)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 19773700 AKZUVQSCRWMOEZ-UHFFFAOYSA-N 315.329 2.146 5 50 DEBA Cc1csc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n1 4433443 SXXHQOASQVWJEL-UHFFFAOYSA-N 313.360 2.469 5 50 DEBA O=C1[C@@H]2[C@@H](C(=O)N1Cc1ccc([N+](=O)[O-])cc1)[C@H]1C=C[C@H]2CC1 100411332 AYWZFTGIMWRJHE-JURCDPSOSA-N 312.325 2.292 5 50 DEBA O=[N+]([O-])c1ccc(S(=O)(=O)n2cnc3ccccc32)cc1 102587 GJWWYZIOACBFIF-UHFFFAOYSA-N 303.299 2.182 5 50 DEBA O=C(c1cccc([N+](=O)[O-])c1)c1ccc(C(=O)O)c(C(=O)O)c1 188348 NWOPWVYYUFJXKE-UHFFFAOYSA-N 315.237 2.222 5 50 DEBA C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)c1ccc([N+](=O)[O-])cc1 471672 KHIQIFPROLEPAP-JTQLQIEISA-N 313.313 2.436 5 50 DEBA CC[N@+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)[C@@H](CO)c1ccccc1)C2 252460686 HKFMCZVBOTVKDM-MUPNANLLSA-N 318.437 2.466 5 50 DEBA biogenic CN(C)CCCN(CCCN(C)C)Cc1ccc([N+](=O)[O-])cc1 2893832 WMBTUDNMSJYBIJ-UHFFFAOYSA-N 322.453 2.300 5 50 DEBA CCOC(=O)[C@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])C1 455840 DNCBURBEGROCQJ-NSHDSACASA-N 306.318 2.010 5 50 DEBA C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CCN1 4662890 AAKIMHLJHRBNET-CYBMUJFWSA-N 304.394 2.383 5 50 DEBA O=C(Nc1ccccc1)c1cc([N+](=O)[O-])ccc1NCCO 4983697 DFJITHRVTJGPMT-UHFFFAOYSA-N 301.302 2.251 5 50 DEBA O=Cc1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 294763 BUTMCURSIAXIDP-UHFFFAOYSA-N 300.270 2.425 5 50 DEBA O=[N+]([O-])c1c(C(F)(F)F)cc(N2CCOCC2)nc1Cl 43179052 NFXGUTCZTILBGX-UHFFFAOYSA-N 311.647 2.499 5 50 DEBA in-vitro C[C@H]1C[C@H](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCO1 273580654 PGQJJCLFCJAARI-GXTWGEPZSA-N 306.362 2.459 5 50 DEBA Cc1nn(C)c(NCCOc2ccc(Cl)cn2)c1[N+](=O)[O-] 268530688 XCLPOSBURJKDCN-UHFFFAOYSA-N 311.729 2.176 5 50 DEBA Nc1ncnc(N2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-] 3912651 UBBXRADIAFAIHS-UHFFFAOYSA-N 313.361 2.426 5 50 DEBA O=[N+]([O-])c1cc2cn[nH]c2cc1N1CCN(CC2CC2)CC1 1775987068 ROOVWKOJRPJREA-UHFFFAOYSA-N 301.350 2.003 5 50 DEBA CCc1[nH]nc(C(=O)N2CCOc3cc(F)ccc32)c1[N+](=O)[O-] 185687834 IMNALXIPPMMPBL-UHFFFAOYSA-N 320.280 2.059 5 50 DEBA Cc1cc(C)nc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 2058148 VSORAVUHTWRTQB-UHFFFAOYSA-N 317.261 2.162 5 50 DEBA Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CCC2(CCOCC2)[C@H]1O 253392467 AKSZDNREZYGSJA-OCCSQVGLSA-N 321.377 2.278 5 50 DEBA COc1ccc(NS(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1 4522180 NYGHBNQAXZZADC-UHFFFAOYSA-N 308.315 2.404 5 50 DEBA CCCCOc1ccc(CSc2nncn2N)cc1[N+](=O)[O-] 5101289 SUOVSOTWVMWOBS-UHFFFAOYSA-N 323.378 2.371 5 50 DEBA CCN(c1ccccc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N 3878596 AGSWRZMLPKYDNM-UHFFFAOYSA-N 321.358 2.392 5 50 DEBA Cc1cccc([N+](=O)[O-])c1N1CCC[C@@H](c2nncn2C)C1 120594344 WNTBESSCIIXDNQ-GFCCVEGCSA-N 301.350 2.416 5 50 DEBA Cc1c(CC(=O)N2CCOc3ccncc32)cccc1[N+](=O)[O-] 128555141 VOPCXYBJHGQLFC-UHFFFAOYSA-N 313.313 2.266 5 50 DEBA CC(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 170021267 LZIAWIGVIOHRDE-BXUZGUMPSA-N 308.334 2.091 5 50 DEBA O=C(Nc1ccccc1N1CCOCC1)c1ccc([N+](=O)[O-])o1 4842600 BIQWNNXDPVEAPZ-UHFFFAOYSA-N 317.301 2.277 5 50 DEBA in-vivo O=C(c1ccn(COc2ccccc2[N+](=O)[O-])n1)N1CCCC1 2800102 QOROSKSOUAFBPR-UHFFFAOYSA-N 316.317 2.064 5 50 DEBA N[C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 225463550 ZUXQTHSETBKSOW-INIZCTEOSA-N 311.341 2.180 5 50 DEBA O=C(O)c1cc(O)c2c3nc4ccccc4oc-3cc(=O)c2n1 11616009 OKPNYGAWTYOBFZ-UHFFFAOYSA-N 308.249 2.245 5 50 DEBA in-man C[C@@H](CS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCCCC1 4755755 HFYINWQZOJQTAP-LBPRGKRZSA-N 312.391 2.243 5 50 DEBA CSCC[C@@H](Nc1nc(Cl)ccc1[N+](=O)[O-])C(=O)O 4106916 XMTDGNYAPUDQFY-ZCFIWIBFSA-N 305.743 2.261 5 50 DEBA CCc1nnc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)s1 97609 XVQJREKQBOXYTM-UHFFFAOYSA-N 308.319 2.270 5 50 DEBA O=[N+]([O-])C1=C(Nc2cccc3ccccc23)CS(=O)(=O)C1 297043 JTRALQLNDXRRDX-UHFFFAOYSA-N 304.327 2.168 5 50 DEBA COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCC[C@H]1C(=O)O 4313710 OVDFQGROIAILDM-WDEREUQCSA-N 322.317 2.433 5 50 DEBA CC(=O)N1CC(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 328599194 QMDVXQLBMMTTHF-UHFFFAOYSA-N 303.240 2.256 5 50 DEBA O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1cc([N+](=O)[O-])ccc1F 242495788 GQGWKBHKXJCSDL-GYBADROVSA-N 302.261 2.045 5 50 DEBA C[C@@H](N)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 170684756 JVVQEURXHBJNNT-SNVBAGLBSA-N 321.358 2.415 5 50 DEBA Cc1[nH]nc(C(=O)N[C@@H]2CC[C@@H]2c2ccccc2)c1[N+](=O)[O-] 598305655 NZPXESSHKVMQNT-VXGBXAGGSA-N 300.318 2.302 5 50 DEBA COC(=O)[C@@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@H]1C 276973543 UCGLWNADCCGSAT-PSASIEDQSA-N 313.741 2.279 5 50 DEBA CCN(CC)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4740573 GSPYNEMNYXNTSO-UHFFFAOYSA-N 306.366 2.179 5 50 DEBA C[C@H]1CCCN(C(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)C1 1002348 NZPCORLWYYEUQK-NSHDSACASA-N 318.333 2.305 5 50 DEBA C[C@@H]1C=CC[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3O)C(=O)[C@@H]12 239309562 HRZBKBWXBVJJHA-JQEORGNBSA-N 302.286 2.002 5 50 DEBA Cc1ccc(NC2=NS(=O)(=O)c3ccccc32)c([N+](=O)[O-])c1 3953741 MPRPXPIEAUDPLA-UHFFFAOYSA-N 317.326 2.464 5 50 DEBA O=C1[C@@H]2[C@H](C(=O)N1Cc1ccc([N+](=O)[O-])cc1)[C@H]1C=C[C@H]2C12CC2 101478660 AZAGKUWCVIURNI-TUVASFSCSA-N 324.336 2.292 5 50 DEBA CN(C[C@@H](O)C1CC1)C(=O)c1c(F)ccc(Cl)c1[N+](=O)[O-] 1776006804 WBTSXVVMPOYJFJ-SNVBAGLBSA-N 316.716 2.230 5 50 DEBA O=[N+]([O-])c1ccc(N2CCC(O)CC2)c(Br)c1 38537235 YOMKNXAARQAXFZ-UHFFFAOYSA-N 301.140 2.318 5 50 DEBA in-vitro Cc1nnc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])s1 134192125 NCCPKMUZDSUSIX-UHFFFAOYSA-N 300.246 2.285 5 50 DEBA CC[N@+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@@H](CO)c1ccccc1)C2 252460684 HKFMCZVBOTVKDM-ILRSOXBSSA-N 318.437 2.466 5 50 DEBA biogenic CC(C)Cn1nccc1NC(=O)c1cc([N+](=O)[O-])ccc1N 225539781 QEBLKMUADDDEBD-UHFFFAOYSA-N 303.322 2.282 5 50 DEBA COCc1nnc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)s1 475965 YBWXOVTXINWHTQ-AATRIKPKSA-N 320.330 2.245 5 50 DEBA O=C1C[C@@H](CNc2ncc(Cl)cc2[N+](=O)[O-])CN1C1CC1 253425606 HLFBSHFAAOGHEH-QMMMGPOBSA-N 310.741 2.066 5 50 DEBA Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCCn1ccnc1 17030900 HIXHJJGEIZMYNO-UHFFFAOYSA-N 303.322 2.312 5 50 DEBA O=[N+]([O-])c1ccc2c(c1)[C@H](O)n1nc(-c3ccco3)nc1S2 611091 QENQOAGLDBVYKA-LBPRGKRZSA-N 316.298 2.450 5 50 DEBA O=C(NC[C@@H]1Cc2ccccc2O1)c1cccc([N+](=O)[O-])c1O 130393149 HOZUHXHVAKSATG-NSHDSACASA-N 314.297 2.034 5 50 DEBA CC(C)N1CCC(=O)N(CCOc2cccc([N+](=O)[O-])c2)C1=O 1775988460 GBCRTIGXWRZJSL-UHFFFAOYSA-N 321.333 2.036 5 50 DEBA O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccco1 4998393 CTMJIQLLEOPCDP-UHFFFAOYSA-N 317.301 2.277 5 50 DEBA COC(=O)c1cnc(N2CCc3ccccc3C2)c([N+](=O)[O-])c1 276612105 SRHKNSCVKIGHHZ-UHFFFAOYSA-N 313.313 2.339 5 50 DEBA CC(C)(C)OC(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O 2575529 XBQADBXCNQPHHY-NSHDSACASA-N 310.306 2.115 5 50 DEBA in-vitro Cn1ncnc1CNc1cc(Br)cc([N+](=O)[O-])c1 253415825 CHFZCWGLNMJCMF-UHFFFAOYSA-N 312.127 2.098 5 50 DEBA Cc1c(CC(=O)N[C@H](CO)c2ccccc2)cccc1[N+](=O)[O-] 155643689 DGWBYIBBZNCVFD-OAHLLOKOSA-N 314.341 2.296 5 50 DEBA CCOC(=O)C1=C(C)NC(=O)C[C@@H]1c1ccc([N+](=O)[O-])cc1 169488 HCASZXKWEGJYAD-GFCCVEGCSA-N 304.302 2.035 5 50 DEBA CCOC(=O)c1csc(NC(=O)c2ccc([N+](=O)[O-])o2)n1 2889157 BIUWFSQSKKRXNC-UHFFFAOYSA-N 311.275 2.073 5 50 DEBA COC(=O)[C@]1(C)[C@H](c2ccc(C)cc2)[C@@H]([N+](=O)[O-])[C@H]2CCCN21 643919608 KCZDAYGAROCAGL-AIANPOQGSA-N 318.373 2.134 5 50 DEBA O=C(O)c1ccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 190754 MRRDXZGCMXRGFR-UHFFFAOYSA-N 312.237 2.094 5 50 DEBA Cc1cc([N+](=O)[O-])nn1CC(=O)NCc1ccc(Cl)cc1 196086 VDMVYBWCQVUXIT-UHFFFAOYSA-N 308.725 2.070 5 50 DEBA Cc1nn(CC(=O)NCc2ccccc2Cl)c(C)c1[N+](=O)[O-] 2884354 VNXQAKPNTDGNJQ-UHFFFAOYSA-N 322.752 2.378 5 50 DEBA Cc1cc(N2CCN(C(=O)C(C)C)CC2)c(F)cc1[N+](=O)[O-] 4998285 VNJMSDSXTDNIPZ-UHFFFAOYSA-N 309.341 2.347 5 50 DEBA CCOC(=O)c1cn2cc([N+](=O)[O-])cc(Br)c2n1 71864295 KUKFEJRSKIUIIC-UHFFFAOYSA-N 314.095 2.182 5 50 DEBA in-vitro COc1cccc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1O 408514174 IEWWSJKWPLZACU-UHFFFAOYSA-N 304.258 2.267 5 50 DEBA Cc1c([N+](=O)[O-])ccnc1C[S@@](=O)c1nc2ccccc2[nH]1 115707262 PSPWSLJRXBXEMQ-QFIPXVFZSA-N 316.342 2.482 5 50 DEBA in-vitro O=[N+]([O-])c1ccnn1C[C@H]1CN(Cc2ccccc2)CCCO1 284194790 KULZBYNPTKHXGI-OAHLLOKOSA-N 316.361 2.082 5 50 DEBA Cc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1[N+](=O)[O-] 239284852 CELZKNVTSCTQFY-UNXFNURESA-N 324.336 2.461 5 50 DEBA NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 4182355 XDLPTRXKGJMEAX-UHFFFAOYSA-N 317.267 2.315 5 50 DEBA Cc1nc([C@@H]2CN(c3ccc([N+](=O)[O-])cn3)C[C@H]2C2CC2)n[nH]1 1775985709 YSOBWJBDSJQARV-QWHCGFSZSA-N 314.349 2.046 5 50 DEBA CC(=O)NC(=O)c1ccccc1OCc1ccc([N+](=O)[O-])cc1 238061 AUJAOCXGMNGJBN-UHFFFAOYSA-N 314.297 2.450 5 50 DEBA O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(O)cc1C(=O)O 4978153 QTQVRECCKVRGBN-UHFFFAOYSA-N 316.269 2.180 5 50 DEBA C[C@@H]1C[C@@H](C)CN(c2ccc([N+](=O)[O-])cc2-c2nnn[nH]2)C1 12384987 NOECFXPPKQFUES-NXEZZACHSA-N 302.338 2.257 5 50 DEBA O=C(Nc1ccc([N+](=O)[O-])cc1O)C(F)(F)C(F)(F)F 4566748 RROFERVZMOVRIL-UHFFFAOYSA-N 300.139 2.437 5 50 DEBA COc1ccc(C(=O)NCCNc2ccccc2[N+](=O)[O-])cc1 4703344 YTYYWLRBASYDHG-UHFFFAOYSA-N 315.329 2.445 5 50 DEBA CC(C)(C)OC(=O)NCCC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 408517834 WSDCALKEXALEHQ-UHFFFAOYSA-N 324.337 2.030 5 50 DEBA C[C@H](CNc1cc(Cl)ccc1[N+](=O)[O-])Oc1nonc1N 5357288 JGZOEPSVKZPWEQ-ZCFIWIBFSA-N 313.701 2.093 5 50 DEBA Cc1cc([N+](=O)[O-])nn1CC(=O)N1c2ccccc2C[C@@H]1C 37369 BEMYWDQPZJVSPZ-NSHDSACASA-N 300.318 2.078 5 50 DEBA CCOC(=O)C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 14007435 LEHHUNACKFOAQM-UHFFFAOYSA-N 308.334 2.383 5 50 DEBA in-vitro O=[N+]([O-])c1cc([N+](=O)[O-])c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2c1 1857525985 FJRRYCPJBHHBCS-UHFFFAOYSA-N 308.162 2.473 5 50 DEBA CC(C)CC(=O)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 19782498 QKTAMXZTQCVIEC-UHFFFAOYSA-N 305.378 2.285 5 50 DEBA O=[N+]([O-])c1cccc(COC2=NS(=O)(=O)c3ccccc32)c1 62336 TVLMHFCZPMTSFH-UHFFFAOYSA-N 318.310 2.261 5 50 DEBA CCn1ncc([N+](=O)[O-])c1C(=O)Nc1cc(OC)cc(OC)c1 356104 CQLOVSRNVRVZNK-UHFFFAOYSA-N 320.305 2.081 5 50 DEBA O=C(N[C@H]1CCOC1)c1cc([N+](=O)[O-])cc(Cl)c1Cl 170615902 RBPSARLYBBBJEZ-LURJTMIESA-N 305.117 2.420 5 50 DEBA CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 466246 RMUFTRWPAMZNAH-CYBMUJFWSA-N 319.317 2.094 5 50 DEBA CC(C)(C)OC(=O)N1CCN(c2ccc(O)cc2[N+](=O)[O-])CC1 261494005 NXXUKZDQIVGQBU-UHFFFAOYSA-N 323.349 2.358 5 50 DEBA N[C@@H](Cc1ccc(OCc2ccccc2[N+](=O)[O-])cc1)C(=O)O 50888574 NLFOHNAFILVHGM-AWEZNQCLSA-N 316.313 2.128 5 50 DEBA in-vitro CN(Cc1cnn(C)c1)C(=O)c1ccc([N+](=O)[O-])cc1Cl 371356 XPULGHVWSYZUPM-UHFFFAOYSA-N 308.725 2.254 5 50 DEBA Cc1cc(N)ccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 725374148 IMUYFSGYFMYYCU-UHFFFAOYSA-N 307.331 2.286 5 50 DEBA Cc1cc(NCCc2nc(C(C)C)nn2C)ncc1[N+](=O)[O-] 952993775 JVNMQWQCDIEERC-UHFFFAOYSA-N 304.354 2.205 5 50 DEBA Cc1c(OCc2nn[nH]n2)ccc2c1oc(=O)c1ccccc12 6130614 WPVAHZCGVUZSON-UHFFFAOYSA-N 308.297 2.347 5 50 DEBA Cc1cnc(NC2CCN(c3nccn3C)CC2)c([N+](=O)[O-])c1 408514639 HNJKTNYGPWWBSH-UHFFFAOYSA-N 316.365 2.113 5 50 DEBA COC(=O)c1cc(C(=O)Nc2ccccn2)cc([N+](=O)[O-])c1 60861 MKXPAFIHCWJHOC-UHFFFAOYSA-N 301.258 2.029 5 50 DEBA CCCCOCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 2664987 MACGNXPNHNGRLU-UHFFFAOYSA-N 316.379 2.080 5 50 DEBA O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCCC[C@@H]1c1cn[nH]c1 127354744 CECHUPRFRZLLHL-GFCCVEGCSA-N 316.317 2.391 5 50 DEBA Cc1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4C[C@H]2C[C@@H]43)cc1[N+](=O)[O-] 239433706 YIFNJDUNMROQMD-VMOOEMLUSA-N 316.313 2.039 5 50 DEBA Cc1cnc(N[C@@H](C)C(=O)NCc2ccccc2)c([N+](=O)[O-])c1 266181214 CHDKQYOJDDGIRX-LBPRGKRZSA-N 314.345 2.415 5 50 DEBA Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](n2cccn2)C1 293341411 OTUWTQKGDGCQDQ-ZDUSSCGKSA-N 300.318 2.187 5 50 DEBA CSC1(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC1 191093075 GMNUTSSNWPFPPU-UHFFFAOYSA-N 308.359 2.080 5 50 DEBA NC(=O)c1cc([N+](=O)[O-])c(Nc2ccccc2)c([N+](=O)[O-])c1 670417738 ZRHTVQJNKLEFIU-UHFFFAOYSA-N 302.246 2.346 5 50 DEBA Cc1ccc(S(=O)(=O)Nc2scnc2C)cc1[N+](=O)[O-] 328594247 IFPOWQCLFIJBGC-UHFFFAOYSA-N 313.360 2.469 5 50 DEBA CO[C@]1(C)C[C@@H](NC(=O)c2ccc(O)c([N+](=O)[O-])c2)C1(C)C 164843848 GDGNMLOGJWVZFL-IUODEOHRSA-N 308.334 2.234 5 50 DEBA CC1=NN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@](O)(C(F)(F)F)C1 108318 PHXIYXXOGCLJBZ-LLVKDONJSA-N 317.223 2.068 5 50 DEBA CCC(=O)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 302736 IXFLTBJNWOIDHP-UHFFFAOYSA-N 320.374 2.263 5 50 DEBA Cc1nc(N2CCC[C@@H]2Cn2ccnc2C)ccc1[N+](=O)[O-] 151014508 HNULKLKFUGNZMK-CYBMUJFWSA-N 301.350 2.472 5 50 DEBA Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](n2cccn2)C1 293341397 OTUWTQKGDGCQDQ-CYBMUJFWSA-N 300.318 2.187 5 50 DEBA COc1ccc(C(=O)O[C@H]2C[C@@H]3CC[C@H](C2)[N@@+]3(C)[O-])cc1OC 1848443822 WAXSPCSJSGNROP-WXZYKRPKSA-N 321.373 2.498 5 50 DEBA CN(C)CCCN1C(=O)CS[C@@H]1c1ccc([N+](=O)[O-])cc1 292839 CDJOLKQJMZJKNP-CQSZACIVSA-N 309.391 2.121 5 50 DEBA COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccs1 610423 FAHWOZRUIDRIBJ-UHFFFAOYSA-N 314.344 2.466 5 50 DEBA COC(=O)[C@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@@H]1C 276973549 UCGLWNADCCGSAT-WPRPVWTQSA-N 313.741 2.279 5 50 DEBA Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cccc2ocnc12 170610446 MTJLXQOXALLTKT-UHFFFAOYSA-N 315.289 2.270 5 50 DEBA Cc1cc(C)c(S(=O)(=O)n2c([N+](=O)[O-])cnc2C)c(C)c1 308520 CJGZFXFPBZBRGY-UHFFFAOYSA-N 309.347 2.262 5 50 DEBA CCOC(=O)c1c(C(F)(F)F)nc2c([N+](=O)[O-])cccn12 1848351032 LLATUAUBDRMTHS-UHFFFAOYSA-N 303.196 2.438 5 50 DEBA CC(C)[C@H]1OCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1O 156623892 PDCILIQBYQFZMR-QMTHXVAHSA-N 308.334 2.091 5 50 DEBA O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1 247341945 SLCBFZIQSHDATG-UHFFFAOYSA-N 301.302 2.142 5 50 DEBA CCn1cc([C@H]2CN(c3ncc([N+](=O)[O-])cc3C)CCO2)cn1 302732444 ULRUKYLUROYQTM-CQSZACIVSA-N 317.349 2.093 5 50 DEBA Cc1ccc(O)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 312712 PGVLFFHIIKCKEJ-UHFFFAOYSA-N 308.315 2.410 5 50 DEBA O=[N+]([O-])c1cc(F)c(N2CCOCC2)cc1Br 4117377 ZRJIAFVOAUKSCO-UHFFFAOYSA-N 305.103 2.333 5 50 DEBA O=C(O)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 1753925 KIXLEFNFHOAVJO-UHFFFAOYSA-N 312.237 2.094 5 50 DEBA Cc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c([N+](=O)[O-])c1 239284712 BXVIFRVMCZKCFS-XOSVDHCLSA-N 324.336 2.461 5 50 DEBA O=[N+]([O-])c1cccc(NC2=NS(=O)(=O)c3ccccc32)c1 62034 XQISLEQDUDNRIP-UHFFFAOYSA-N 303.299 2.156 5 50 DEBA CCOC(=O)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 4592254 QFDVPFPZNRUFLI-ZDUSSCGKSA-N 320.345 2.319 5 50 DEBA NC(=O)c1ccccc1NC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 3086051 LHNFTWRBRYKLJR-UHFFFAOYSA-N 318.264 2.477 5 50 DEBA COc1ccc2nc(NC(=O)c3n[nH]cc3[N+](=O)[O-])sc2c1 6786837 YPRWOLXIESOQEG-UHFFFAOYSA-N 319.302 2.189 5 50 DEBA Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-n2cncn2)cc1 170597773 BZWQWYWHJMMQFA-UHFFFAOYSA-N 324.300 2.010 5 50 DEBA O=[N+]([O-])c1ccc(N2CCOCC2)cc1NC[C@@H]1CCCO1 4187755 ZWQHTYKGWZXPCY-ZDUSSCGKSA-N 307.350 2.022 5 50 DEBA CCN1C(=O)S/C(=C\c2cc(OC)c(O)c([N+](=O)[O-])c2)C1=O 13897164 UOJCPZIDFIRSDC-POHAHGRESA-N 324.314 2.365 5 50 DEBA Cc1cnn(CCNC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 163114921 NSOKAIKVEWRAGT-UHFFFAOYSA-N 303.322 2.230 5 50 DEBA Cc1cc([N+](=O)[O-])nn1CCOc1ccc2c(c1)CCC(=O)N2 170619299 XHHAITPPJFQMPJ-UHFFFAOYSA-N 316.317 2.063 5 50 DEBA CN(Cc1cc(Cl)cn1C)C(=O)c1cc([N+](=O)[O-])ccc1N 170605126 UUQVAYCQKOIJKZ-UHFFFAOYSA-N 322.752 2.441 5 50 DEBA Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1N(C)CCCC1(C)C 225731673 ADQBPXMNKMBBGJ-AWEZNQCLSA-N 320.393 2.148 5 50 DEBA O=C(CSc1ncccn1)Nc1ccc(F)c([N+](=O)[O-])c1 2549317 CLQMBVFVFKDIHQ-UHFFFAOYSA-N 308.294 2.255 5 50 DEBA C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(C(=O)O)CC1 263453879 ORVVJWABUJUTNC-SECBINFHSA-N 324.358 2.056 5 50 DEBA CN1C[C@@]2(C)CN(c3ncc([N+](=O)[O-])cc3Cl)C[C@@]2(C)C1 863948884 SDBPRYOXTGHKMA-OKILXGFUSA-N 310.785 2.421 5 50 DEBA COc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 362791 UGQAMOBKUXTNCT-UHFFFAOYSA-N 308.315 2.404 5 50 DEBA Cc1nnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)s1 2093279 ZTEXJNMABIVJFD-UHFFFAOYSA-N 310.360 2.486 5 50 DEBA O=C(CCc1cccc([N+](=O)[O-])c1)N1CCOc2ccncc21 119115863 CRHOVMRIWQAJDH-UHFFFAOYSA-N 313.313 2.348 5 50 DEBA C[C@@H]1c2c(F)cccc2CCN1C(=O)c1n[nH]cc1[N+](=O)[O-] 170591175 NGTVEHHPQJLYSW-MRVPVSSYSA-N 304.281 2.217 5 50 DEBA Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@H]21 170605133 APMWIVNOPOAKLL-NUEKZKHPSA-N 309.325 2.245 5 50 DEBA Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(-n2cnnn2)c1 195228052 FSQIMIZLBUOGMD-UHFFFAOYSA-N 324.300 2.131 5 50 DEBA Cc1csc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n1 5579363 SBLOXIQCWHJJRK-UHFFFAOYSA-N 313.360 2.469 5 50 DEBA O=C(C[C@@]1(O)C(=O)Nc2ccc([N+](=O)[O-])cc21)c1ccccc1 4985718 QJCFCSBNMAZVSW-INIZCTEOSA-N 312.281 2.008 5 50 DEBA COCc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2O)cc1 130394656 ORONDZNFOLJCJC-UHFFFAOYSA-N 316.313 2.377 5 50 DEBA O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@H]1[C@H]1CCCO1 285688711 FQNQJUIEIWRAQM-UONOGXRCSA-N 306.318 2.084 5 50 DEBA Cc1c(NC(=O)N[C@@H]2CCCC23OCCO3)cccc1[N+](=O)[O-] 585119963 CLOQHKJJXZEAAG-CYBMUJFWSA-N 321.333 2.320 5 50 DEBA Cc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c([N+](=O)[O-])c1 239284710 BXVIFRVMCZKCFS-GMKMDLSASA-N 324.336 2.461 5 50 DEBA O=C(N[C@@H]1[C@H]2C[C@H]3C[C@@H]1C[C@@](O)(C3)C2)c1cccc([N+](=O)[O-])c1 239174484 QCIGWYXGQCCTQW-JAGMGWIISA-N 316.357 2.264 5 50 DEBA C[N+]1(C)CC[C@H](OC(=O)[C@](O)(c2ccccc2)C2CCCC2)C1 346 ANGKOCUUWGHLCE-HKUYNNGSSA-N 318.437 2.456 5 50 DEBA fda COC(=O)/C=C\c1ccc(Sc2ncnn2C)c([N+](=O)[O-])c1 221943839 XOXXOEGYNFUIFM-XQRVVYSFSA-N 320.330 2.061 5 50 DEBA CCc1cc2c(-n3ccc(=O)c([N+](=O)[O-])c3)ncnc2s1 170648107 DILVPBMBVJATAZ-UHFFFAOYSA-N 302.315 2.313 5 50 DEBA O=C1CN(C(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc2N1 4867350 YXPGKSBOXSPBEF-UHFFFAOYSA-N 311.297 2.123 5 50 DEBA O=C(NC[C@H]1Cc2ccccc2O1)c1cccc([N+](=O)[O-])c1O 130392905 HOZUHXHVAKSATG-LLVKDONJSA-N 314.297 2.034 5 50 DEBA CCNC(=O)CNc1cc(Br)cc([N+](=O)[O-])c1C 280354210 INZZRSAOHXXCSD-UHFFFAOYSA-N 316.155 2.214 5 50 DEBA COc1ccc(NC(=O)CCCn2cc([N+](=O)[O-])cn2)cc1 4686774 OYZJUIRMXLCPQP-UHFFFAOYSA-N 304.306 2.219 5 50 DEBA CCOC(=O)C1=C(C)NC(=O)C[C@H]1c1ccccc1[N+](=O)[O-] 124272 WRPLWVGEIIEMDD-NSHDSACASA-N 304.302 2.035 5 50 DEBA Cn1ccnc1[C@H]1CCCN(c2cc(N)ccc2[N+](=O)[O-])C1 328586286 PHDYNRPAHCASAQ-NSHDSACASA-N 301.350 2.295 5 50 DEBA CC1(C)[C@H]2OCC[C@@H]2[C@H]1Nc1nc2ccccn2c1[N+](=O)[O-] 170638110 PTDBFQSPTLFUIK-JLLWLGSASA-N 302.334 2.468 5 50 DEBA O=C(Nc1ccc(OC(F)(F)F)cc1)c1n[nH]cc1[N+](=O)[O-] 13114120 YNZXTIUZNCDXHX-UHFFFAOYSA-N 316.195 2.469 5 50 DEBA Cc1ccn(CCn2ccc3c(c(=O)oc4ccccc43)c2=N)n1 1776111455 YMOPSZWWURCKTJ-UHFFFAOYSA-N 320.352 2.432 5 50 DEBA O=[N+]([O-])C1=C(Sc2ccc(Cl)cc2)CS(=O)(=O)C1 296858 FTEHHZGMWRGEEA-UHFFFAOYSA-N 305.764 2.349 5 50 DEBA O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1[C@H]2CC[C@@H](C2)[C@H]1CO 230087302 YIOXOEUETRIOJP-ZNIXKSQXSA-N 305.334 2.123 5 50 DEBA Cc1cc([N+](=O)[O-])nn1[C@H](C)c1nc2c3ccccc3ncn2n1 2806663 LYIYBKSCFRWKRU-SNVBAGLBSA-N 323.316 2.300 5 50 DEBA CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](O)[C@@H](C)C2)c1 166950558 IGDVRPACGBVCLI-TVQRCGJNSA-N 310.375 2.160 5 50 DEBA Cc1nn(CC(=O)N2CCCc3ccccc32)c(C)c1[N+](=O)[O-] 196124 KXJDNIQAWGPXAV-UHFFFAOYSA-N 314.345 2.388 5 50 DEBA O=C(c1cccc([N+](=O)[O-])c1O)N1CCO[C@@H]2CCCC[C@H]21 130425209 UCWMWKHEHMVPLG-DGCLKSJQSA-N 306.318 2.084 5 50 DEBA Cc1ccccc1CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 454223 JSEHMYQYEFMXGS-UHFFFAOYSA-N 306.343 2.382 5 50 DEBA C[C@@H]1C[C@@H](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCO1 273580663 PGQJJCLFCJAARI-OCCSQVGLSA-N 306.362 2.459 5 50 DEBA C[C@@H]1ON(C(C)(C)C)[C@@H]2[C@H]1CO[C@]2(O)c1ccc([N+](=O)[O-])cc1 5377111 PNVADGDICBWJCN-YZOIGVHSSA-N 322.361 2.189 5 50 DEBA Cc1c(C(=O)NC(=S)NC2CCCC2)cccc1[N+](=O)[O-] 4544207 TZJIJXDQUKGRRL-UHFFFAOYSA-N 307.375 2.450 5 50 DEBA O=C1CSC(Nc2ccc([N+](=O)[O-])cc2Br)=N1 4951389 NRCRMYPNJIWENP-UHFFFAOYSA-N 316.136 2.399 5 50 DEBA O=C(C[C@]1(O)C(=O)Nc2ccc([N+](=O)[O-])cc21)c1ccccc1 4985719 QJCFCSBNMAZVSW-MRXNPFEDSA-N 312.281 2.008 5 50 DEBA O=C(N[C@H]1COc2ccccc21)c1cccc([N+](=O)[O-])c1O 127675855 CKVFPLFTABFTLB-NSHDSACASA-N 300.270 2.164 5 50 DEBA C[C@@H](C(=O)NCc1ccccc1Cl)n1cc([N+](=O)[O-])cn1 1067334 WVZOKZWFXPPBDF-VIFPVBQESA-N 308.725 2.322 5 50 DEBA Cc1cc([N+](=O)[O-])nn1CC(=O)N1c2ccccc2C[C@H]1C 37368 BEMYWDQPZJVSPZ-LLVKDONJSA-N 300.318 2.078 5 50 DEBA Cn1c(CCNC(=O)c2ccco2)nc2cc([N+](=O)[O-])ccc21 37868695 HHVLNMVHAFBVAU-UHFFFAOYSA-N 314.301 2.047 5 50 DEBA COC(=O)c1ccc(OC[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1 253425927 WMJKFBIXUGGLNZ-WCQYABFASA-N 309.318 2.311 5 50 DEBA C[C@@]1(c2ccc([N+](=O)[O-])cc2)Nc2ccccc2-c2nnnn21 1615055455 NMGUHLMEDPRVMZ-OAHLLOKOSA-N 308.301 2.395 5 50 DEBA O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@@H]1[C@@H]1CCCO1 285688706 FQNQJUIEIWRAQM-KGLIPLIRSA-N 306.318 2.084 5 50 DEBA COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)O 4313708 OVDFQGROIAILDM-QWRGUYRKSA-N 322.317 2.433 5 50 DEBA C[C@H]1CN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CCN1 4662894 AAKIMHLJHRBNET-ZDUSSCGKSA-N 304.394 2.383 5 50 DEBA Cc1ccccc1NC(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1 4810911 DSFHBKIVWCYQLS-UHFFFAOYSA-N 313.313 2.272 5 50 DEBA CCc1ccc(C(=O)N2C[C@H](C)O[C@@H](COC)C2)cc1[N+](=O)[O-] 170603505 VRZXDKJBKKKWOI-SMDDNHRTSA-N 322.361 2.033 5 50 DEBA CC(C)c1nnc2n1C[C@H](Nc1cc(N)ccc1[N+](=O)[O-])CC2 193403506 PWXNFKWXHCAOQX-LLVKDONJSA-N 316.365 2.319 5 50 DEBA CN(C)CCCN1C(=O)CS[C@H]1c1ccc([N+](=O)[O-])cc1 292840 CDJOLKQJMZJKNP-AWEZNQCLSA-N 309.391 2.121 5 50 DEBA CCNc1cc(N2CCN(C(=O)C(C)C)CC2)ccc1[N+](=O)[O-] 4703644 PURVWQQUWGSUMJ-UHFFFAOYSA-N 320.393 2.331 5 50 DEBA C[C@@H]1ON(C(C)(C)C)[C@@H]2[C@@H]1CO[C@]2(O)c1ccc([N+](=O)[O-])cc1 5377159 PNVADGDICBWJCN-DVUFPGTOSA-N 322.361 2.189 5 50 DEBA CC1(C)OC(C)(C)c2c1nnc(-c1cccc([N+](=O)[O-])c1)[n+]2[O-] 1579337 RXJWBJGNIOZICN-UHFFFAOYSA-N 316.317 2.186 5 50 DEBA O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1ccc(F)cc1 2930467 UAOLOAUQGWYCNP-UHFFFAOYSA-N 310.306 2.212 5 50 DEBA O=[N+]([O-])c1ccc(CN2CCN(Cc3ccncc3)CC2)cc1 4706748 CAWSECWYYQZEHZ-UHFFFAOYSA-N 312.373 2.308 5 50 DEBA Cc1c(NC(=O)N2CCC[C@@]23CCOC3=O)cccc1[N+](=O)[O-] 188369482 BBTGBBZCPKSXGU-HNNXBMFYSA-N 319.317 2.217 5 50 DEBA Cn1c(C(=O)N2CC(C)(C)OC3(CCCC3)C2)ccc1[N+](=O)[O-] 408263134 BMRYAWIKMBNQQE-UHFFFAOYSA-N 321.377 2.497 5 50 DEBA CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 229425450 DUGLLFRVBKABPX-OQQHHNTDSA-N 324.402 2.404 5 50 DEBA Cc1cc(C)c(OCC(=O)Nc2c([N+](=O)[O-])cnn2C)c(C)c1 170607539 KPJQLQWUGXNWBB-UHFFFAOYSA-N 318.333 2.271 5 50 DEBA Cc1ccc(S(=O)(=O)n2c([N+](=O)[O-])cnc2C)c(C)c1C 309203 XHAGPTYAKXTGHC-UHFFFAOYSA-N 309.347 2.262 5 50 DEBA CCN(CC)c1ccc(NC(=O)c2c([N+](=O)[O-])cnn2C)cc1 1002450 RLAIEZXGXYJKHJ-UHFFFAOYSA-N 317.349 2.427 5 50 DEBA Cn1ccnc1[C@H](O)[C@H]1CCCN(c2ccccc2[N+](=O)[O-])C1 269341046 GZUNWUFXTCBSJW-SWLSCSKDSA-N 316.361 2.278 5 50 DEBA COC(=O)c1cc(C(=O)Nc2cccnc2)cc([N+](=O)[O-])c1 60860 CHVPPIVKDITDIK-UHFFFAOYSA-N 301.258 2.029 5 50 DEBA O=[N+]([O-])c1ccc2c(c1)[C@@H](O)n1nc(-c3ccco3)nc1S2 611093 QENQOAGLDBVYKA-GFCCVEGCSA-N 316.298 2.450 5 50 DEBA O=[N+]([O-])c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 3902402 UUJFWVBPVWFWSM-UHFFFAOYSA-N 318.354 2.342 5 50 DEBA Cc1cccc(-n2nc([N+](=O)[O-])c(N3CCCC[C@H]3C)[n+]2[O-])c1 4828667 CBIKAZQAJUVVBR-GFCCVEGCSA-N 317.349 2.101 5 50 DEBA O=C(c1ccco1)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1 19774074 SIRNHZAVDQKXAA-UHFFFAOYSA-N 315.329 2.146 5 50 DEBA COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1ncccn1 4393733 UMCACWGHFQXSQJ-UHFFFAOYSA-N 320.330 2.124 5 50 DEBA C[C@H](O)C[C@H](C)NC(=O)c1c(F)ccc(Cl)c1[N+](=O)[O-] 1775991006 JCCWDAODUXQXCI-BQBZGAKWSA-N 304.705 2.277 5 50 DEBA COc1c(C)[nH]cc(CN(C)Cc2ccc([N+](=O)[O-])cc2)c1=O 585133446 IGTABGVSXQRALZ-UHFFFAOYSA-N 317.345 2.232 5 50 DEBA CCOc1cc(NC(=O)N2CCC(CO)CC2)ccc1[N+](=O)[O-] 585119418 HEDBUARUKBAJSH-UHFFFAOYSA-N 323.349 2.230 5 50 DEBA CCOC(=O)[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 3135851 IANWPKUDMHXHRK-LBPRGKRZSA-N 306.318 2.010 5 50 DEBA Cc1cccc([N+](=O)[O-])c1N1CCC[C@H](c2nncn2C)C1 120594204 WNTBESSCIIXDNQ-LBPRGKRZSA-N 301.350 2.416 5 50 DEBA CCN(CC)CCCNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 2911779 CGELBKRUWLJWAL-UHFFFAOYSA-N 309.366 2.065 5 50 DEBA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 244695598 JPHFGKSBNFSTSP-PKCACUDHSA-N 310.309 2.152 5 50 DEBA Cc1ccc([N+](=O)[O-])cc1NC1=NS(=O)(=O)c2ccccc21 208412 PGXGIQBLCNLJBP-UHFFFAOYSA-N 317.326 2.464 5 50 DEBA Cc1c(NC(=O)N2[C@H](C)C(=O)N[C@H](C)[C@H]2C)cccc1[N+](=O)[O-] 585120014 GGTOHRYRVIHBCT-GMTAPVOTSA-N 320.349 2.032 5 50 DEBA O=C(O)c1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(O)c1 188337 LTJVCNOKKXXTOV-UHFFFAOYSA-N 302.242 2.251 5 50 DEBA O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C2CCCC2)CC1 4700645 AEARGWCUWINPBN-UHFFFAOYSA-N 303.362 2.295 5 50 DEBA O=[N+]([O-])c1cccc(OCCN2CCCC[C@@H]2c2nc[nH]n2)c1 121783795 QXTUYJHFCPQTRD-CQSZACIVSA-N 317.349 2.319 5 50 DEBA CC(=O)[C@@H]1C[C@H](C(=O)NCc2ccc([N+](=O)[O-])cc2)C1(C)C 129136093 YYLPGJGNIJKOBH-UONOGXRCSA-N 304.346 2.462 5 50 DEBA O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1[C@H]1CCCO1 285837906 OTSGMTVSYPXBIF-HUUCEWRRSA-N 320.345 2.144 5 50 DEBA COC(=O)C(C)(C)CNC(=O)Nc1ccc([N+](=O)[O-])cc1C 163134867 GHZDEIUKUGBNBW-UHFFFAOYSA-N 309.322 2.224 5 50 DEBA COc1ncccc1CN(C=O)Cc1ccc(C)c([N+](=O)[O-])c1 1875325568 PHXPKWQYJOGATE-UHFFFAOYSA-N 315.329 2.465 5 50 DEBA Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](C)OC[C@H]1C 240444279 FXDUUTLHAWCCMH-OLZOCXBDSA-N 321.377 2.341 5 50 DEBA CC(C)Oc1ccccc1C(=O)OCc1cn(C)nc1[N+](=O)[O-] 847783119 UBYAXLYMHVBNNS-UHFFFAOYSA-N 319.317 2.473 5 50 DEBA Cc1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-] 101701439 KNBCCCSPBSJIQQ-TXFQPVFDSA-N 300.314 2.439 5 50 DEBA C[C@H](CO[C@@H]1CCOC1)Nc1c(F)cc([N+](=O)[O-])cc1F 121759815 LJKLUARKGXSCNB-PSASIEDQSA-N 302.277 2.479 5 50 DEBA Cc1nn(C)c(N2CCOc3cccc(F)c3C2)c1[N+](=O)[O-] 239366870 AGLQTLCBYAZMPJ-UHFFFAOYSA-N 306.297 2.175 5 50 DEBA CC[C@@]1(C)COCCN1C(=O)c1cccc(OC)c1[N+](=O)[O-] 240423841 FRJVAIJBTKFLIF-HNNXBMFYSA-N 308.334 2.245 5 50 DEBA O=C(N1CC(Nc2cc(Cl)ccc2[N+](=O)[O-])C1)C(F)(F)F 2325829792 SIGWOUBSWPCLDD-UHFFFAOYSA-N 323.658 2.433 5 50 DEBA CCOC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2C(=O)O)CC1 3884283 FQZBRAJJMZZXSV-UHFFFAOYSA-N 322.317 2.073 5 50 DEBA N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H](N)c1ccc([N+](=O)[O-])cc1 29786517 XXBNXRXPIYAHOW-KBPBESRZSA-N 302.290 2.203 5 50 DEBA CC1(C)CC[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 284429074 RGLKPFIVFFZHMC-CYBMUJFWSA-N 312.391 2.147 5 50 DEBA C[C@@H]1CN(c2ccnc3c([N+](=O)[O-])cccc23)CC[S@](=O)C1 432139805 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SCFUMSHAXIBTQY-SNVBAGLBSA-N 302.334 2.057 5 50 DEBA O=c1ccc(C(F)(F)F)nn1Cc1ccc([N+](=O)[O-])c(F)c1 170610430 TWTYBJKTZYWQTE-UHFFFAOYSA-N 317.198 2.358 5 50 DEBA COC(=O)[C@H](CC(C)C)NC(=O)c1cccc([N+](=O)[O-])c1C 4599307 RUKAOKHSQQYPBM-LBPRGKRZSA-N 308.334 2.221 5 50 DEBA Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2conc2C)c1C 585118791 BYNLSRBCRNSXFF-UHFFFAOYSA-N 311.319 2.309 5 50 DEBA C[C@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CCC1=O 170601931 NHCWKHBNNUETIY-ZETCQYMHSA-N 314.139 2.168 5 50 DEBA O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1ccc([N+](=O)[O-])cc1 4803435 VYZOJJUCGWWNAS-AWEZNQCLSA-N 314.297 2.021 5 50 DEBA CC1(C(=O)O)COC(c2cc([N+](=O)[O-])ccc2Cl)OC1 44126471 SEKPHDNSACMINV-UHFFFAOYSA-N 301.682 2.385 5 50 DEBA CCN(CC)CCCOc1ccc(C(=O)OC)cc1[N+](=O)[O-] 170605548 VFKITHBERAWIIM-UHFFFAOYSA-N 310.350 2.492 5 50 DEBA CCOC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2F)C[C@H]1C 4949408 UYVIJNWQOVJXGK-SNVBAGLBSA-N 311.313 2.401 5 50 DEBA CCOC(=O)C1CCN(Cc2ccc(O)c([N+](=O)[O-])c2)CC1 6667475 NIMSSKJAOMEKQR-UHFFFAOYSA-N 308.334 2.076 5 50 DEBA COC(=O)c1cc(C(=O)N2CCCC[C@@H]2C)cc([N+](=O)[O-])c1 434437 JDUBFJGPICNMAW-JTQLQIEISA-N 306.318 2.396 5 50 DEBA Cc1nc(N2CCOCC2)nc(NC2CCCCC2)c1[N+](=O)[O-] 4170761 QABSUHPMAOMMPT-UHFFFAOYSA-N 321.381 2.274 5 50 DEBA Nc1ccc([N+](=O)[O-])c(N2CCC(Oc3cnccn3)CC2)c1 328586265 JGBSFXLMWXYMLQ-UHFFFAOYSA-N 315.333 2.015 5 50 DEBA Cc1nn([C@@H](C)C(=O)N2CCc3ccccc32)cc1[N+](=O)[O-] 2781691 KIKCIPXLCLIJNJ-NSHDSACASA-N 300.318 2.250 5 50 DEBA COc1ccc(NC(=O)N2CCC(N(C)C)CC2)cc1[N+](=O)[O-] 170593927 XCSUCQZDPWWBBQ-UHFFFAOYSA-N 322.365 2.161 5 50 DEBA COC(=O)[C@]1(C)CCCN1C(=O)c1cc([N+](=O)[O-])ccc1C 187635779 AGJRWTVSCUBLSJ-HNNXBMFYSA-N 306.318 2.071 5 50 DEBA COc1ccc(C(=O)CSc2nc(C)n[nH]2)cc1[N+](=O)[O-] 5999699 DFPDDIHSVKJRLV-UHFFFAOYSA-N 308.319 2.005 5 50 DEBA COC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1 473620 GXOIZRXOACJQIF-XFXZXTDPSA-N 316.269 2.132 5 50 DEBA Nc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2)nn1-c1ccccc1 1835735 ROVHLQJYQCEAJO-UHFFFAOYSA-N 324.300 2.010 5 50 DEBA COC(=O)c1cc(NC(=O)CC(F)(F)F)cc([N+](=O)[O-])c1 136154114 BJMZIVFFYLNQIH-UHFFFAOYSA-N 306.196 2.272 5 50 DEBA COc1ccc2c3c1O[C@@H]1[C@H]3[C@H](C=C[C@H]1O)CC[N+](C)(C)C2 1772492946 AKJAUQPVWVZPQX-ZAUVIXRXSA-N 302.394 2.067 5 50 DEBA O=[N+]([O-])c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 5014278 GYIGCFMFXUNFQO-UHFFFAOYSA-N 304.327 2.346 5 50 DEBA C[C@H]1C[C@@H](C)CN(c2ccc(-n3cnnn3)cc2[N+](=O)[O-])C1 13154167 NVWNFDCCNRVIPP-PHIMTYICSA-N 302.338 2.053 5 50 DEBA O=C1[C@H]2[C@H](C(=O)N1Cc1ccc([N+](=O)[O-])cc1)[C@H]1C=C[C@H]2C12CC2 101478664 AZAGKUWCVIURNI-KBUPBQIOSA-N 324.336 2.292 5 50 DEBA Cc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1[N+](=O)[O-] 239284850 CELZKNVTSCTQFY-JKPJVAMOSA-N 324.336 2.461 5 50 DEBA COC(=O)C(C(=O)OC)c1ccc([N+](=O)[O-])cc1C(F)(F)F 95217823 UJDVQPIBEPTJNV-UHFFFAOYSA-N 321.207 2.043 5 50 DEBA O=C(c1ccc(O)c([N+](=O)[O-])c1)c1ccc(O)c([N+](=O)[O-])c1 1651546 AABHPMAMDHAYRG-UHFFFAOYSA-N 304.214 2.145 5 50 DEBA CNC(=O)[C@@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])c2cnccc12 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CC(C)(C)OC(=O)N[C@@](C)(C(=O)O)c1cccc([N+](=O)[O-])c1 584880282 WFKULWMLCIGTKJ-CQSZACIVSA-N 310.306 2.419 5 50 DEBA O=[N+]([O-])c1cccc([C@H](CCO)N=c2nc(C3CC3)[nH]s2)c1 2325840240 VGRTVCJKSUQOEN-LBPRGKRZSA-N 320.374 2.281 5 50 DEBA Cc1cnc(N[C@H](C)C(=O)NCc2ccccc2)c([N+](=O)[O-])c1 266181212 CHDKQYOJDDGIRX-GFCCVEGCSA-N 314.345 2.415 5 50 DEBA CC(C)(C)SCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 2864270 SJFCCBUVKYFKGY-UHFFFAOYSA-N 318.420 2.405 5 50 DEBA CCOC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2C=O)CC1 5202749 MBXUOLZJTSBTPJ-UHFFFAOYSA-N 306.318 2.187 5 50 DEBA in-vitro O=C(c1cccc([N+](=O)[O-])c1O)N1CC[C@@]2(O)CCCC[C@@H]2C1 119372700 BZKYFAFJSLRHJU-BZNIZROVSA-N 320.345 2.068 5 50 DEBA NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cc(F)ccc1[N+](=O)[O-] 241170975 KDFOMIYYCVSKNC-ZBINZKHDSA-N 321.352 2.352 5 50 DEBA O=C(NCCCc1ccccn1)c1cc([N+](=O)[O-])ccc1O 182137424 LUUCNRHNIBVJQO-UHFFFAOYSA-N 301.302 2.058 5 50 DEBA O=[N+]([O-])c1ccc(N2CCNCC2)cc1N1CCCCCC1 4740955 SXABAOBUANMHHV-UHFFFAOYSA-N 304.394 2.385 5 50 DEBA CC1(C)CCCC/C1=C\C(=O)NCCn1cc([N+](=O)[O-])cn1 151460440 CGPRSLPITFHNRR-FMIVXFBMSA-N 306.366 2.434 5 50 DEBA Cc1cc([N+](=O)[O-])nn1C(=O)c1ccc([N+](=O)[O-])cc1Cl 3668488 AEEJFQMBKSZMRZ-UHFFFAOYSA-N 310.653 2.350 5 50 DEBA O=C1CC[C@H]([N+](=O)[O-])[C@@H](c2ccc(F)c(Br)c2)N1 129713 ZSKBMMAEXSPUFR-GXSJLCMTSA-N 317.114 2.185 5 50 DEBA CN(C(=O)c1cccc([N+](=O)[O-])c1O)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 158660447 GKRQPBCFYNBRSP-GDLCADMTSA-N 320.345 2.186 5 50 DEBA CC(=O)Nc1ccc(I)c([N+](=O)[O-])c1 44583760 ZKVJZYIQPHDYMR-UHFFFAOYSA-N 306.059 2.158 5 50 DEBA C[C@@H](C(=O)N1CCCCC1)[S@@](=O)c1cccc([N+](=O)[O-])c1 888097549 PVGQZBOOLQYIMG-WIUDPPPLSA-N 310.375 2.103 5 50 DEBA Cc1ccc(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 2902667 LNOAHUSDUICPSG-UHFFFAOYSA-N 306.343 2.382 5 50 DEBA Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](C)OC[C@H]1C 240444278 FXDUUTLHAWCCMH-CHWSQXEVSA-N 321.377 2.341 5 50 DEBA C[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCS1 192162624 RJZUWFWWLGBCRM-JTQLQIEISA-N 316.404 2.111 5 50 DEBA CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 457140 QFDVPFPZNRUFLI-CYBMUJFWSA-N 320.345 2.319 5 50 DEBA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 239248037 XXEUORHXHOMNOK-RBJBARPLSA-N 302.286 2.056 5 50 DEBA CC(=O)N1CC(Nc2cc([N+](=O)[O-])c3occc3c2)=CC1=O 253470721 BICCCPXPJLWBNR-UHFFFAOYSA-N 301.258 2.026 5 50 DEBA O=[N+]([O-])c1ccc2c(c1NCCCCN1CCOCC1)CCN2 170601990 OLXVKHXMIQKAQS-UHFFFAOYSA-N 320.393 2.087 5 50 DEBA CCS[C@@H]1CCCCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 585130887 FKQCGTVLXMWQRA-LLVKDONJSA-N 324.406 2.320 5 50 DEBA O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccccc1C(=O)O 4695713 HXFQDMCVTONWHK-UHFFFAOYSA-N 316.269 2.311 5 50 DEBA CCOc1ccccc1NC(=O)[C@H](C)Cn1cc([N+](=O)[O-])cn1 2784610 GZJXBFPYTHZZLF-LLVKDONJSA-N 318.333 2.465 5 50 DEBA Cn1cc([C@@H]2CCCN(c3ccc([N+](=O)[O-])cc3F)C2)nn1 1164349761 FYHPJELAMMEDTE-SNVBAGLBSA-N 305.313 2.246 5 50 DEBA CCOc1ccc([N+](=O)[O-])cc1NC(=O)CCc1cnn(C)c1 280999875 BDGDIOKNMUORGZ-UHFFFAOYSA-N 318.333 2.298 5 50 DEBA COC(=O)c1ccc(OC[C@H]2CCCC[C@@H]2O)c([N+](=O)[O-])c1 253425931 WMJKFBIXUGGLNZ-YPMHNXCESA-N 309.318 2.311 5 50 DEBA Cc1nc([C@H]2CN(c3cccc(F)c3[N+](=O)[O-])CCO2)no1 241126152 JJWJJZNRLGWHDW-LLVKDONJSA-N 308.269 2.003 5 50 DEBA CC1CCN(C(=S)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 459003 REVFESQLXPQNMY-UHFFFAOYSA-N 307.375 2.341 5 50 DEBA Cc1ccc(OC(F)F)c(NC(=O)c2n[nH]cc2[N+](=O)[O-])c1 6413031 UJLLWNPSEOLEKG-UHFFFAOYSA-N 312.232 2.480 5 50 DEBA COC[C@@H]1CN(c2ccc(C(F)F)cc2[N+](=O)[O-])CCO1 408516820 KCORAQJPYPEFQA-JTQLQIEISA-N 302.277 2.384 5 50 DEBA Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)o1 4959374 KZQXMBXROSNNDW-UHFFFAOYSA-N 315.329 2.459 5 50 DEBA Cc1cc([N+](=O)[O-])c(N2C[C@@H](C)C[C@@H]2C(=O)O)c([N+](=O)[O-])c1 4054556 OJHDNWLCCLEXRR-GZMMTYOYSA-N 309.278 2.111 5 50 DEBA Cc1nc(N2CCC[C@H](n3ccnn3)CC2)ccc1[N+](=O)[O-] 874435058 KFYPLSYVVANWAZ-LBPRGKRZSA-N 302.338 2.121 5 50 DEBA Cc1nc(Oc2cc(C)c([N+](=O)[O-])cc2F)nc(N(C)C)n1 359701842 VEKZUXWHVLEBKX-UHFFFAOYSA-N 307.285 2.394 5 50 DEBA COc1ccc(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 300401 XJLAYQTXRMHPQR-UHFFFAOYSA-N 322.342 2.082 5 50 DEBA CC(=O)Nc1ccc(C(=O)Nc2ncc([N+](=O)[O-])s2)cc1 4141671 DMLFXAJXTCXSND-UHFFFAOYSA-N 306.303 2.262 5 50 DEBA Cc1ccc(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)o1 188559898 UKSRQKXBPRUAMT-UHFFFAOYSA-N 302.286 2.400 5 50 DEBA CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 20397437 SUWKOEMQNOBJEQ-UHFFFAOYSA-N 308.338 2.047 5 50 DEBA in-vitro CC(=O)NCCCNc1ccc(Br)cc1[N+](=O)[O-] 4919327 NUSFUPUZOLDRIC-UHFFFAOYSA-N 316.155 2.295 5 50 DEBA NC(=O)[C@H]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 4998224 IFKWHJFZHXIFPD-QMMMGPOBSA-N 317.267 2.315 5 50 DEBA NC(=O)c1cccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 38703 FUVAYVYTNXMMCT-BQYQJAHWSA-N 311.297 2.346 5 50 DEBA CNC(=O)[C@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])c2cnccc12 345168163 ZHVYPHRCOKBARJ-WCQYABFASA-N 314.345 2.470 5 50 DEBA Cc1cc(C)n(-c2cc(N3CCN(C)CC3)ccc2[N+](=O)[O-])n1 4117348 NHOSMDUPJTUDCU-UHFFFAOYSA-N 315.377 2.149 5 50 DEBA Cn1ccnc1[C@@H](O)[C@@H]1CCCN(c2ccccc2[N+](=O)[O-])C1 269341044 GZUNWUFXTCBSJW-DOMZBBRYSA-N 316.361 2.278 5 50 DEBA Cc1c([C@H](C)NC(=O)Cc2ccccc2[N+](=O)[O-])cnn1C 2872795 SCFUMSHAXIBTQY-JTQLQIEISA-N 302.334 2.057 5 50 DEBA O=C(c1cccc([N+](=O)[O-])c1O)N1CC[C@]2(O)CCCC[C@@H]2C1 119372588 BZKYFAFJSLRHJU-BDJLRTHQSA-N 320.345 2.068 5 50 DEBA O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(F)c([N+](=O)[O-])c1 245204219 BRQWJRXWXQPCLC-GYBADROVSA-N 302.261 2.045 5 50 DEBA O=S1(=O)CC[N+]2(CC=C(c3ccccc3Cl)CC2)CC1 1615057580 UCSVWMLESYFIME-UHFFFAOYSA-N 312.842 2.372 5 50 DEBA COc1cc(C(=O)N2CCC[C@H](C)C2)c([N+](=O)[O-])cc1OC 1456477 XULMOLXAOIANLO-JTQLQIEISA-N 308.334 2.484 5 50 DEBA O=C(NC(=S)N1CCCCCC1)c1ccc([N+](=O)[O-])cc1 278167 LFKAELBBKHVQJD-UHFFFAOYSA-N 307.375 2.486 5 50 DEBA COc1ccc(C(=O)Nc2nc(C)cc(C)n2)cc1[N+](=O)[O-] 457116 WEYQHVKMYCTBAV-UHFFFAOYSA-N 302.290 2.263 5 50 DEBA O=C(COc1ccc([N+](=O)[O-])cc1)NCc1ccc(F)cc1 2849684 DGTWKBRJBBFDAE-UHFFFAOYSA-N 304.277 2.429 5 50 DEBA CCOc1cc(N(C)[C@H](C)CN2CCOCC2)ccc1[N+](=O)[O-] 432927437 MJOZJXIWHUHZPE-CYBMUJFWSA-N 323.393 2.150 5 50 DEBA O=C(c1cccc([N+](=O)[O-])c1O)N1CCO[C@@H]2CCCC[C@@H]21 130424801 UCWMWKHEHMVPLG-WCQYABFASA-N 306.318 2.084 5 50 DEBA O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H](c2cn[nH]c2)C1 170599054 CTSGPIKQBHMVJU-JTQLQIEISA-N 316.317 2.043 5 50 DEBA Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(CCO)CC(F)F 194011100 HEVYGWQFVGSMKF-UHFFFAOYSA-N 317.292 2.303 5 50 DEBA Cn1ccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)n1 192505 FMIMVUPANCGDER-UHFFFAOYSA-N 322.280 2.282 5 50 DEBA CCCCCCn1c(O)nc2nc3cc(N)ccc3nc2c1=O 2388715 NVCLSXSHBDFPLR-UHFFFAOYSA-N 313.361 2.208 5 50 DEBA COc1ccc(-n2c(C[N+](=O)[O-])nnc2C(F)(F)F)cc1 3015722 TVTLXWYWEWYHIH-UHFFFAOYSA-N 302.212 2.071 5 50 DEBA COc1ccc(CN(C)C(=O)c2ccccc2N)cc1[N+](=O)[O-] 170681618 KIVHEIXXEKKJKQ-UHFFFAOYSA-N 315.329 2.458 5 50 DEBA CCCc1nnc2n1N=C(c1ccc([N+](=O)[O-])cc1)CS2 80935 USFUDUTYKQBIQO-UHFFFAOYSA-N 303.347 2.497 5 50 DEBA CC1(C)C[C@@H](NC(=O)c2ccc(O)c([N+](=O)[O-])c2)C(C)(C)O1 119766857 QGTJJYOWWLOPPD-GFCCVEGCSA-N 308.334 2.376 5 50 DEBA CCNC(=O)/N=c1\sc([N+](=O)[O-])cn1Cc1ccccc1 71767332 YYEXABVDNQFIGK-SQFISAMPSA-N 306.347 2.136 5 50 DEBA Cc1cc(N2C[C@@H](C)OC3(CCOCC3)C2)ncc1[N+](=O)[O-] 240668128 HMMIKTFOPNYJBY-GFCCVEGCSA-N 307.350 2.073 5 50 DEBA O=[N+]([O-])c1cnc(N[C@H](c2ccccc2)c2nnc[nH]2)s1 253395231 OTHZBUAZRQVJFZ-SNVBAGLBSA-N 302.319 2.371 5 50 DEBA CCn1cc(OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cn1 170613194 UPOANBMJWFNXRA-UHFFFAOYSA-N 324.724 2.482 5 50 DEBA O=[N+]([O-])c1ccccc1CN1CCN(Cc2cccnc2)CC1 178648 RVUWSAZNEWKLNE-UHFFFAOYSA-N 312.373 2.308 5 50 DEBA O=[N+]([O-])c1ccc(-n2nnnc2-c2ccccc2)c([N+](=O)[O-])c1 2024553 LAADJKRGIONHQR-UHFFFAOYSA-N 312.245 2.146 5 50 DEBA O=[N+]([O-])c1cc(F)c(S(=O)(=O)NCC2CC2)cc1Cl 225549948 RUZMMNCCDXURHZ-UHFFFAOYSA-N 308.718 2.076 5 50 DEBA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 239128706 KQWIHAFWGICYBX-PKCACUDHSA-N 310.309 2.152 5 50 DEBA Cc1nc(N2CC3(CCOCC3)CC[C@H]2CO)ccc1[N+](=O)[O-] 952878096 YWILEQUNICBBLW-ZDUSSCGKSA-N 321.377 2.056 5 50 DEBA O=[N+]([O-])c1ccccc1CN(Cc1ncnn1CCF)C1CC1 225643200 IDASMRYPYRJMLW-UHFFFAOYSA-N 319.340 2.320 5 50 DEBA CCOC(=O)C1=C(C)NC(=O)C[C@H]1c1ccc([N+](=O)[O-])cc1 169485 HCASZXKWEGJYAD-LBPRGKRZSA-N 304.302 2.035 5 50 DEBA CCN1CCC(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 4007872 SAXFKNGVUPAISH-UHFFFAOYSA-N 318.421 2.201 5 50 DEBA CSc1ccc(C(=O)N[C@H](C)[C@@H]2CCOC2)cc1[N+](=O)[O-] 225415958 CCIDRRLBQLTGEG-MWLCHTKSSA-N 310.375 2.472 5 50 DEBA CCOC(=O)[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1F 194687776 HQLPISVKEDUABS-ZDUSSCGKSA-N 324.308 2.292 5 50 DEBA C[C@H](CC(=O)OC(C)(C)C)N=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 450326175 GLORBIRKJYCZTH-SECBINFHSA-N 320.349 2.425 5 50 DEBA CC(C)n1ccc(Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)n1 169988190 SNTXWPALHXQYQJ-UHFFFAOYSA-N 302.290 2.328 5 50 DEBA Cc1ccc(CNCC[S@](=O)C(F)(F)F)cc1[N+](=O)[O-] 585117156 SKLJVMCJCUBMRR-FQEVSTJZSA-N 310.297 2.261 5 50 DEBA COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)O 4313709 OVDFQGROIAILDM-GHMZBOCLSA-N 322.317 2.433 5 50 DEBA CCc1nccn1S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 231420380 PVMAEJLIYVMHFZ-UHFFFAOYSA-N 315.738 2.244 5 50 DEBA O=Cc1ccc(Cn2cc(Br)c([N+](=O)[O-])n2)o1 373449 BVNLECJBXUWKMF-UHFFFAOYSA-N 300.068 2.008 5 50 DEBA Cc1cnc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)[nH]1 154744413 RZNFCJHQMCJAFO-UHFFFAOYSA-N 312.289 2.064 5 50 DEBA CCc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C 17055706 XFQQSYZJWBMUKW-UHFFFAOYSA-N 321.362 2.017 5 50 DEBA CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 195248 ZUHRWVKWJBNBJT-CYBMUJFWSA-N 319.317 2.128 5 50 DEBA CCN1C[C@H](C)N(CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C 346203172 YTHOIIPGBNTNIS-KGLIPLIRSA-N 307.394 2.388 5 50 DEBA Cc1cccc(NC(=O)c2c(C(=O)O)cccc2[N+](=O)[O-])n1 321577 KEWVIYYUKHAJEN-UHFFFAOYSA-N 301.258 2.249 5 50 DEBA O=c1/c(=C/c2ccc([N+](=O)[O-])cc2)sc2nc3ccccc3n12 1908555 OEGMARAJWDSTIW-ZROIWOOFSA-N 323.333 2.365 5 50 DEBA 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323.286 2.304 5 50 DEBA C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C(=O)N(C)C)C1 229718443 LERLPENLESAIQV-GXTWGEPZSA-N 305.378 2.456 5 50 DEBA C[C@H](CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCCCC1 250634 JCWGCLZJGLSHAK-GFCCVEGCSA-N 312.391 2.243 5 50 DEBA Cn1c(=O)c([N+](=O)[O-])c(NC[C@H]2CCCO2)c2ccccc21 5061776 OXFMCQCXTYOOQV-SNVBAGLBSA-N 303.318 2.038 5 50 DEBA CCN1CCN(c2cc(N3CCCC3)c([N+](=O)[O-])cc2F)CC1 4168645 SQJMTMUXLOOMQG-UHFFFAOYSA-N 322.384 2.476 5 50 DEBA O=C(O)Cc1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1 2381046 NRNCPFWSAOSRER-UHFFFAOYSA-N 300.270 2.474 5 50 DEBA Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCC2(CCOCC2)[C@H]1O 253392460 AKSZDNREZYGSJA-JSGCOSHPSA-N 321.377 2.278 5 50 DEBA Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 229153034 IDDBDVLAGJBQBR-BFQNTYOBSA-N 320.393 2.431 5 50 DEBA O=C(c1cnc(O)c([N+](=O)[O-])c1)N1CCc2c(F)cccc21 194010008 VKZZLPNPTFMALK-UHFFFAOYSA-N 303.249 2.037 5 50 DEBA CCCC(=O)NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1C 864086793 OGZRWPBNWFZMHF-UHFFFAOYSA-N 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2.123 5 50 DEBA O=[N+]([O-])c1ccc(CS(=O)(=O)C(Cl)(Cl)Cl)o1 1040952 BRSQSHDRNJRRAV-UHFFFAOYSA-N 308.526 2.430 5 50 DEBA COCCn1cc2c(n1)[C@@H](Nc1ncc([N+](=O)[O-])s1)CCC2 253395138 MWXLDVDGMJNVQA-JTQLQIEISA-N 323.378 2.384 5 50 DEBA CO[C@@]1(C)C[C@H](NC(=O)c2ccc(O)c([N+](=O)[O-])c2)C1(C)C 164844210 GDGNMLOGJWVZFL-WFASDCNBSA-N 308.334 2.234 5 50 DEBA Cc1csc(NC(=O)CSc2ccc([N+](=O)[O-])cn2)n1 8741386 AOQQHCMNQDZCTF-UHFFFAOYSA-N 310.360 2.486 5 50 DEBA C[C@H]1CCO[C@H]1COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 43761503 ZLZQWILFRWOBSH-UFBFGSQYSA-N 310.262 2.085 5 50 DEBA Cc1ccc(S(=O)(=O)NNc2ccccc2[N+](=O)[O-])cc1 5020859 VFLSNCQYIICDOF-UHFFFAOYSA-N 307.331 2.209 5 50 DEBA Cn1cc([C@@H]2CCN(c3ncc(Cl)cc3[N+](=O)[O-])C2)cn1 153789452 MPMWMRANCGAYLY-SECBINFHSA-N 307.741 2.371 5 50 DEBA C[C@H]1CCCCN1c1c([N+](=O)[O-])cc([N+](=O)[O-])c2nonc12 4947516 JKHSFUKJHPDIDN-ZETCQYMHSA-N 307.266 2.418 5 50 DEBA O=C(c1ccco1)N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 4983781 NVSROMUDFRGGGF-UHFFFAOYSA-N 319.292 2.289 5 50 DEBA CN(CC(N)=O)c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] 298660572 QPIPKEYLWOLWFX-UHFFFAOYSA-N 311.647 2.189 5 50 DEBA CSc1ccc(C(=O)N[C@@H](C)[C@@H]2CCOC2)cc1[N+](=O)[O-] 225415994 CCIDRRLBQLTGEG-GXSJLCMTSA-N 310.375 2.472 5 50 DEBA O=C(O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1 4837648 YHVZTVDGYLEKDM-DHZHZOJOSA-N 302.242 2.043 5 50 DEBA NC(=O)c1cc([N+](=O)[O-])c(Nc2ccc(F)cc2)c([N+](=O)[O-])c1 675029555 AUVMQXXDOVGXER-UHFFFAOYSA-N 320.236 2.485 5 50 DEBA CCc1nn(C)c(OC)c1CNc1cc(N)ccc1[N+](=O)[O-] 193492949 WDKNQESKXDQLID-UHFFFAOYSA-N 305.338 2.094 5 50 DEBA NC(=O)c1nn(Cc2c(Cl)cccc2Cl)cc1[N+](=O)[O-] 1429453 QSKCAGAEBBYGIN-UHFFFAOYSA-N 315.116 2.245 5 50 DEBA CCn1cc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cn1 2767230 MZJNFAVLPYDCCS-UHFFFAOYSA-N 308.725 2.395 5 50 DEBA C[C@@H]1ON(C(C)(C)C)[C@@H]2[C@@H]1CO[C@@]2(O)c1ccc([N+](=O)[O-])cc1 25557806 PNVADGDICBWJCN-YDEYXMKJSA-N 322.361 2.189 5 50 DEBA CC1=NN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@](O)(C(F)(F)F)C1 108312 PHXIYXXOGCLJBZ-NSHDSACASA-N 317.223 2.068 5 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