smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2C(N)=O)n1 1432485 ZRRQLKGRQMLYHO-UHFFFAOYSA-N 303.278 1.162 5 50 DDBA O=[N+]([O-])c1ccc(CN2CCC[C@H](CN3CC[C@H](O)C3)C2)cc1 585133208 ASUHABSOCMBFGM-RDJZCZTQSA-N 319.405 1.873 5 50 DDBA CN1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 3877907 KKBSYQCICYAIOU-UHFFFAOYSA-N 306.366 1.183 5 50 DDBA Cc1ccc(C)c(S(=O)(=O)N(C)c2cnccn2)c1[N+](=O)[O-] 340635742 GUXCPUOFIWMTKF-UHFFFAOYSA-N 322.346 1.827 5 50 DDBA CCCn1nnc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)n1 470183 XCEMSDJFEQNVIY-UHFFFAOYSA-N 306.282 1.252 5 50 DDBA COC(=O)c1ccc(I)cc1[N+](=O)[O-] 117419966 BOKIFDFIGLFMFY-UHFFFAOYSA-N 307.043 1.986 5 50 DDBA Cc1c(CC(=O)N(C)C[C@@H](C)c2nnn[nH]2)cccc1[N+](=O)[O-] 124504076 SVKYLMUZKKAKMP-SECBINFHSA-N 318.337 1.221 5 50 DDBA CC(C)[C@@H]1CN(CCn2cc(Cl)c([N+](=O)[O-])n2)CCO1 585133844 XIHBJUTUGSPJCM-NSHDSACASA-N 302.762 1.802 5 50 DDBA COc1ccc(S(=O)(=O)N2CC[C@@H]2C(F)F)cc1[N+](=O)[O-] 585134708 HDHBLXYGYDQUQJ-MRVPVSSYSA-N 322.289 1.632 5 50 DDBA Cc1ccnn1CCCNC(=O)CCn1ncc([N+](=O)[O-])c1C 2794232 SUWJIUAOTDAWCH-UHFFFAOYSA-N 320.353 1.201 5 50 DDBA CC(=O)N1C(=O)C[C@@H](C)N(C(C)=O)c2ccc([N+](=O)[O-])cc21 4007235 KBXQKTSZOCALKF-MRVPVSSYSA-N 305.290 1.619 5 50 DDBA O=C(NCc1ccncc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 4703169 FPAMRNNLVCXYQD-UHFFFAOYSA-N 300.274 1.245 5 50 DDBA N[C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 314365344 QQMGNSDALPCKIR-GFCCVEGCSA-N 321.358 1.573 5 50 DDBA COc1cc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])cc(OC)c1 15009232 BUHZKFPYEQGOQS-ONEGZZNKSA-N 319.273 1.571 5 50 DDBA O=[N+]([O-])c1ccc(N2CCNCC2)cc1NC[C@H]1CCCO1 4140715 NBQUAKXLTFLOAI-CYBMUJFWSA-N 306.366 1.595 5 50 DDBA O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H]1CCOC2(CCCCC2)C1 160423410 YZSDOEAKQXHMBA-LBPRGKRZSA-N 322.365 1.789 5 50 DDBA CC(=O)NC1=NN(C(C)=O)[C@@](C)(c2ccc([N+](=O)[O-])o2)S1 201307 UOAGPIBBVLPHFT-LLVKDONJSA-N 312.307 1.363 5 50 DDBA O=C(O)[C@@H]1CCCCN1C(=O)COc1cccc([N+](=O)[O-])c1 261711205 PFIQRMYXXZWYIY-LBPRGKRZSA-N 308.290 1.439 5 50 DDBA COc1ccc([C@@H]2NC(=O)CC[C@H]2[N+](=O)[O-])c(OC)c1OC 451480 CEPAIOWRPDKZQP-SKDRFNHKSA-N 310.306 1.309 5 50 DDBA COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc([N+](=O)[O-])s1 69726 FFGKBMNSYASWIK-JTQLQIEISA-N 311.319 1.799 5 50 DDBA Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(Cl)c1S(=O)(=O)O 2054510 UWTXLBHZBXHZCS-UHFFFAOYSA-N 317.710 1.989 5 50 DDBA O=C(O)[C@@H]1[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2O)[C@H]2C=C[C@H]1C2 101033916 BBTPSLCJNDWLJS-XMUKKISLSA-N 318.285 1.762 5 50 DDBA COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)c1ncon1 1615001873 FBVBDKPCBDNFDX-MRVPVSSYSA-N 321.293 1.912 5 50 DDBA CO[C@@H]1CCCCC[C@H]1NC(=O)Cn1cc([N+](=O)[O-])nc1C 225453741 IHXYJSXAVNRVQA-VXGBXAGGSA-N 310.354 1.564 5 50 DDBA Cn1c(NC(=O)Cn2cc([N+](=O)[O-])cn2)nc2ccccc21 12953153 FUPBQAKEYVKCLA-UHFFFAOYSA-N 300.278 1.317 5 50 DDBA Cc1c(Br)c([N+](=O)[O-])nn1[C@H](C)C(=O)NC(C)C 4810917 QJUQYKUPJLCYIR-SSDOTTSWSA-N 319.159 1.948 5 50 DDBA C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](O)CC1 293061536 IMNDROKKUWQIEM-BXUZGUMPSA-N 307.350 1.769 5 50 DDBA CN1C=CC(C(=O)NCCC[N+]2(C)CCCC2)=CC1=CN=O 1857525272 RUWCDRRZEWZMMR-UHFFFAOYSA-O 305.402 1.726 5 50 DDBA CCOC(=O)N(C)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 337937 RUXFJTMMDPDEGR-UHFFFAOYSA-N 302.308 1.513 5 50 DDBA O=[N+]([O-])c1ccccc1OC[C@@H](O)Cn1nnc2ccccc21 6244260 KKVCPLJCZCZQST-NSHDSACASA-N 314.301 1.779 5 50 DDBA Nc1nccc(C(=O)NC[C@@H](O)C2CCCCC2)c1[N+](=O)[O-] 408515237 MXLSFHCROXPZNL-LLVKDONJSA-N 308.338 1.243 5 50 DDBA Cc1cc(O)nc([C@H](C)N2CCc3ncc([N+](=O)[O-])cc3C2)n1 225726606 KPGPOSKJSGPMAK-JTQLQIEISA-N 315.333 1.913 5 50 DDBA O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[C@H]1COCCO1 585128916 QXWUVAGSRIGTED-SNVBAGLBSA-N 318.688 1.419 5 50 DDBA O=C(NCc1ccc(O)c([N+](=O)[O-])c1)[C@H]1CSCCS1 1616036936 BYVXGTQDGSEJHG-LLVKDONJSA-N 314.388 1.765 5 50 DDBA C[C@]1(NC(=O)Nc2ccc([N+](=O)[O-])cc2)CCS(=O)(=O)C1 5121992 GUWACOSMBSWJGQ-LBPRGKRZSA-N 313.335 1.294 5 50 DDBA Nc1nc(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)ccc1[N+](=O)[O-] 170594330 DADBRCWNHVSPHP-JQWIXIFHSA-N 316.292 1.997 5 50 DDBA Cc1nn(C)c(Sc2nnc(C(F)F)n2C)c1[N+](=O)[O-] 241795503 RZSDXBZXBMLCKA-UHFFFAOYSA-N 304.282 1.854 5 50 DDBA CC(C)c1ccc(OC[C@@H]2C[N+]34CCO[B-]3(OCC4)O2)cc1 169830828 VTRFAIUOWLDAAZ-AOCRQIFASA-N 305.183 1.900 5 50 DDBA NC(=O)c1ccccc1OCC(=O)c1cccc([N+](=O)[O-])c1 1390642 VVVOKFABHXFABK-UHFFFAOYSA-N 300.270 1.955 5 50 DDBA O=C(NN1C(=O)c2ccccc2C1=O)c1ccccc1[N+](=O)[O-] 284622 BALIVYAZKSHEMY-UHFFFAOYSA-N 311.253 1.536 5 50 DDBA CS(=O)(=O)N[C@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1 170596352 DKAGDRRHRCEKRG-STQMWFEESA-N 313.379 1.867 5 50 DDBA CNC(=O)[C@H]1CCC[C@@H]1Nc1c(C(=O)OC)cccc1[N+](=O)[O-] 585093040 ZIUMJSIEZPDDHZ-ONGXEEELSA-N 321.333 1.708 5 50 DDBA COc1ccc(C(=O)N[C@@H]2CCN3CCCC[C@@H]23)cc1[N+](=O)[O-] 229356276 DZMVGTGRLIJGLU-OLZOCXBDSA-N 319.361 1.960 5 50 DDBA Cc1nc(N2CCC(Cc3nncn3C)CC2)ccc1[N+](=O)[O-] 952993165 LVJQEECURFRYRN-UHFFFAOYSA-N 316.365 1.886 5 50 DDBA Cc1nn(C)c(C)c1Cc1nc(-c2c([N+](=O)[O-])ncn2C)no1 225553237 CSYPJWSNOYQWSE-UHFFFAOYSA-N 317.309 1.319 5 50 DDBA COC(=O)c1ccnc(NCCc2ccns2)c1[N+](=O)[O-] 928996207 OEDIVFALDIEUPH-UHFFFAOYSA-N 308.319 1.888 5 50 DDBA CCOCCCNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] 2819228 LIYCHGIRMKWOIK-UHFFFAOYSA-N 312.322 1.768 5 50 DDBA COc1cc(CN2CCC[C@H](CO)C2)c([N+](=O)[O-])cc1OC 4947945 NXAHNPQKPDNOEP-NSHDSACASA-N 310.350 1.816 5 50 DDBA Cc1cc(C)c(S(=O)(=O)N2CCOCC2)c(C)c1[N+](=O)[O-] 4996278 UYGPDIAZTIGYNC-UHFFFAOYSA-N 314.363 1.541 5 50 DDBA C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)[C@@H](C)S(C)(=O)=O 170617922 QKFKHKQLULSSFQ-NXEZZACHSA-N 314.363 1.280 5 50 DDBA C[C@H](C(=O)Nc1cccc(F)c1)n1cc([N+](=O)[O-])c(C(N)=O)n1 170613150 RXSHBPFXYFGLKM-SSDOTTSWSA-N 321.268 1.229 5 50 DDBA O=C(O)CC[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O 4517582 NZBKHTRVUNPZEN-MRVPVSSYSA-N 313.222 1.233 5 50 DDBA Cc1c(CN(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])cnn1C 2760829 FINMHAUPOUBVLS-UHFFFAOYSA-N 324.362 1.457 5 50 DDBA O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2ccccn2)CC1 18179253 LPYWTQNGNCHYHB-UHFFFAOYSA-N 312.329 1.952 5 50 DDBA Cc1cc(C(=O)N2CCC(OCCCN)CC2)cc([N+](=O)[O-])c1 237679975 ZOXANLLPUJPJOL-UHFFFAOYSA-N 321.377 1.873 5 50 DDBA Cc1nc([N+](=O)[O-])cn1CCC(=O)OCCCCn1ccnc1 1875335282 ZVKDWEWRGQTPLQ-UHFFFAOYSA-N 321.337 1.710 5 50 DDBA C[C@@H]1C[C@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)CCO1 271643943 YRUCMHNMICMPDL-VXGBXAGGSA-N 308.334 1.905 5 50 DDBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCN1CCOCC1 19721063 CDJSHSKCJZHJRR-SNAWJCMRSA-N 305.334 1.056 5 50 DDBA N[C@H]1CCC[C@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 420463398 IQWYDYIUWWZIIC-QWRGUYRKSA-N 313.379 1.391 5 50 DDBA C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 100047524 LZCOQTDXKCNBEE-IKIFYQGPSA-N 318.393 1.063 5 50 DDBA world Cc1cc([N+](=O)[O-])nn1CCNC(=O)c1c(F)cccc1F 2795572 QYZQLFLWWIFBLK-UHFFFAOYSA-N 310.260 1.808 5 50 DDBA COc1cccc(Nc2nc(-c3[nH]ncc3[N+](=O)[O-])n[nH]2)c1 4625956 LTAVUEJZIJUPRS-UHFFFAOYSA-N 301.266 1.855 5 50 DDBA COC(=O)c1cc([N+](=O)[O-])ccc1I 35322461 INEMMZILZDRYJK-UHFFFAOYSA-N 307.043 1.986 5 50 DDBA in-vitro CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc([N+](=O)[O-])cc1 292539 YLJXVEYHCWPYIA-LBPRGKRZSA-N 321.358 1.951 5 50 DDBA C[N+](C)(N)CCOC(=O)[C@@](O)(c1ccccc1)C1CCCCC1 2024179 PBWNPYFNHVVNPW-GOSISDBHSA-N 321.441 1.948 5 50 DDBA O=C(N[C@@H]1CCC[C@H]2OCC[C@H]12)c1ccc(O)c([N+](=O)[O-])c1 119214103 BFAFRBGGKUSJTI-JTNHKYCSSA-N 306.318 1.988 5 50 DDBA O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CCc2cncn2C1 239782412 COHUXYHVTYYZFR-GFCCVEGCSA-N 300.318 1.670 5 50 DDBA COC[C@@H]1CN(c2cc([N+](=O)[O-])ccc2C(=O)OC)CCO1 408523686 MIPMOGCHZKCWRR-NSHDSACASA-N 310.306 1.233 5 50 DDBA CCOC[C@@H]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 328597058 CZIPJCRLRGKVCK-BXUZGUMPSA-N 308.334 1.513 5 50 DDBA COC[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@@H](C)O1 275978419 LWWKKOXIZOCKBJ-NOZJJQNGSA-N 310.306 1.176 5 50 DDBA Cc1cccnc1NC(=O)CCNc1ccc([N+](=O)[O-])c(C)n1 408524031 POQSEBLBJWQWDM-UHFFFAOYSA-N 315.333 2.442 5 50 DDBA O=[N+]([O-])c1nn(-c2ccccc2)[n+]([O-])c1NCc1ccco1 4806767 VJULXTKZXKLDDP-UHFFFAOYSA-N 301.262 1.619 5 50 DDBA CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CCOCC1 95494800 NFPVGMYMPLKWQA-UHFFFAOYSA-N 300.336 1.225 5 50 DDBA CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCC(=O)N1 952847801 MHZSFQXESCHLJC-JTQLQIEISA-N 307.306 1.601 5 50 DDBA CC(=O)NC1=NN(C(C)=O)[C@](C)(c2cccc([N+](=O)[O-])c2)S1 367833 GHQRRKYPOBOPQB-ZDUSSCGKSA-N 322.346 1.770 5 50 DDBA N[C@@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O 4517180 OFKKPUNNTZKBSR-VIFPVBQESA-N 312.282 1.497 5 50 DDBA in-vitro Cc1cnn(C(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)c1 2778903 ZTCFVDNXEABJCE-UHFFFAOYSA-N 301.262 1.626 5 50 DDBA CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1[N+](=O)[O-] 5716718 IXWFTGMONIZBQL-LBPRGKRZSA-N 305.290 1.786 5 50 DDBA biogenic COC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cccc([N+](=O)[O-])c1 65475 CIBVLNVBSOKSSA-LBPRGKRZSA-N 315.289 1.648 5 50 DDBA COC(=O)[C@H](CCSC)NC(=O)c1cccc([N+](=O)[O-])c1 2859845 ZLFYSBJOSYWXDW-NSHDSACASA-N 312.347 1.619 5 50 DDBA O=C(N[C@H]1CCO[C@H](C2CC2)C1)c1cc([N+](=O)[O-])ccc1O 157085781 KIWOBGGOKURTFZ-HZMBPMFUSA-N 306.318 1.988 5 50 DDBA O=C(N[C@H]1CCO[C@@H](C2CC2)C1)c1ccc(O)c([N+](=O)[O-])c1 157189645 CQADNTWGSVTSJQ-SMDDNHRTSA-N 306.318 1.988 5 50 DDBA O=C(O)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 222236694 XGHKLCSMNZGIHH-WISYIIOYSA-N 322.248 1.327 5 50 DDBA COc1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1OC 4821472 VOEIFZFJIOUHNH-UHFFFAOYSA-N 306.278 1.447 5 50 DDBA COC(=O)[C@@H]1[C@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1[N@@+]2(C)[O-] 257354875 CQWXYUZZXCRUDE-KIBLCYBISA-N 319.357 1.880 5 50 DDBA C[C@@H]1C[C@@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)CCO1 271643933 YRUCMHNMICMPDL-NEPJUHHUSA-N 308.334 1.905 5 50 DDBA Cc1c(CC(=O)Nc2cnccc2CO)cccc1[N+](=O)[O-] 170068132 WHZFOSQYVGSZLV-UHFFFAOYSA-N 301.302 1.972 5 50 DDBA O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2ccncc2)cc1 109367 AYSZLENCZUCTFM-UHFFFAOYSA-N 307.331 1.511 5 50 DDBA O=C(O)CSC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1 23550202 MCUVQLSCIUKUSW-UHFFFAOYSA-N 300.317 1.427 5 50 DDBA COC(=O)C[C@H]1CN(c2cccc(OC)c2[N+](=O)[O-])CCO1 274729308 ZTNDUOUGOWPWBI-JTQLQIEISA-N 310.306 1.372 5 50 DDBA O=[N+]([O-])c1ccc(Nc2nc(O)nc(N3CCOCC3)n2)cc1 3876999 UABLHSWJGLVPKN-UHFFFAOYSA-N 318.293 1.066 5 50 DDBA COc1ccccc1/C=C/c1c([N+](=O)[O-])c(=O)n(C)c(=O)n1C 4754550 NYRNETZMAANLGE-CMDGGOBGSA-N 317.301 1.171 5 50 DDBA CCn1c(=N)c(C(N)=S)cc2c(=O)n3cccc(C)c3nc21 100810572 CGAHOJKDLNODQJ-UHFFFAOYSA-N 313.386 1.091 5 50 DDBA CN1C(=O)C[C@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1=O 192627736 SHWUSXQWRMROKP-ZETCQYMHSA-N 315.232 1.365 5 50 DDBA Nn1ccc2nc3ccn(-c4ccccc4)c(=O)c3cc2c1=O 40398594 UYKUDMKDBYZZQF-UHFFFAOYSA-N 304.309 1.414 5 50 DDBA O=[N+]([O-])c1ccc(N2C[C@@H](CO)C[C@H]2CO)cc1OC(F)F 1875289543 ZUTICRNEDKMGIW-WPRPVWTQSA-N 318.276 1.376 5 50 DDBA COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc([N+](=O)[O-])ccc1OC 458369 GZCLKCYWIIXQKK-LBPRGKRZSA-N 321.289 1.404 5 50 DDBA COc1c(C(=O)N[C@H]2CCCC[C@@H]2CO)cccc1[N+](=O)[O-] 318955322 VILLAKBBOMURQE-PWSUYJOCSA-N 308.334 1.884 5 50 DDBA Cc1c(CC(=O)N(C)C2(C(N)=O)CCCC2)cccc1[N+](=O)[O-] 170592888 ZJJASJKVNSFNKX-UHFFFAOYSA-N 319.361 1.702 5 50 DDBA O=C(Cn1cc([N+](=O)[O-])cn1)N1C[C@@H](O)C[C@@H]1c1ccccc1 413939358 LGCHTNHURNVFCY-UONOGXRCSA-N 316.317 1.126 5 50 DDBA CCOC(=O)C(=CNc1ncc([N+](=O)[O-])s1)C(=O)OCC 100687913 BFPZGJIUGZVXRJ-UHFFFAOYSA-N 315.307 1.473 5 50 DDBA NC(=O)[C@H](F)C1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 585132598 CRIGXFUUWVEIKN-SNVBAGLBSA-N 316.720 1.683 5 50 DDBA Cc1ccc([N+](=O)[O-])c(OCCOCCN2CCN(C)CC2)c1 4842252 PZJBKNUPSNOKHJ-UHFFFAOYSA-N 323.393 1.546 5 50 DDBA COCCNC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 5570004 BABLIZSYYSUZOA-UHFFFAOYSA-N 324.406 1.238 5 50 DDBA COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)c1ncon1 1615001874 FBVBDKPCBDNFDX-QMMMGPOBSA-N 321.293 1.912 5 50 DDBA O=C(O)C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 3864743 LEZIFGBWZUCLNI-UHFFFAOYSA-N 314.319 1.080 5 50 DDBA C[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1CN 225322755 BFYINUYYZXGTKR-GWCFXTLKSA-N 313.379 1.343 5 50 DDBA COC[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 225724404 UKYHMAPHLIBJFD-YPMHNXCESA-N 324.333 1.284 5 50 DDBA Cc1cc(Cl)c(C(=O)N2CCn3cnnc3C2)cc1[N+](=O)[O-] 295281512 PIVRWLYHVHAZPF-UHFFFAOYSA-N 321.724 1.804 5 50 DDBA CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)c1noc(C)n1 170605116 FLUURIKHULWEJO-LLVKDONJSA-N 305.294 1.750 5 50 DDBA COc1cccc([N+](=O)[O-])c1NC(=O)COC[C@H]1CCCO1 585124767 RBDBEFPGHDULAX-SNVBAGLBSA-N 310.306 1.738 5 50 DDBA O=C(CCCN1C(=O)CCC1=O)Nc1ccc([N+](=O)[O-])cc1 5047654 WVLCGSKJJRKXHZ-UHFFFAOYSA-N 305.290 1.463 5 50 DDBA Cc1cn(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cn1 432174 GLSXLGALHLPYPD-UHFFFAOYSA-N 301.711 1.990 5 50 DDBA O=C(O)[C@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 225603578 JMXOQCQHCGXZBB-WYUUTHIRSA-N 304.258 1.188 5 50 DDBA CCN1C[C@H](CN(C)C(=O)[C@H]2C[C@H]2[N+](=O)[O-])Oc2ccccc21 239591362 BBCCMERGBBIIHZ-SGMGOOAPSA-N 319.361 1.398 5 50 DDBA O=C(NC(=S)NCc1ccco1)c1ccccc1[N+](=O)[O-] 1050992 HAABSGLAEJSTLD-UHFFFAOYSA-N 305.315 1.992 5 50 DDBA Cc1nc([C@H](C)NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)n[nH]1 343328988 BHYUSLZDLRTNDC-QMMMGPOBSA-N 321.341 1.102 5 50 DDBA CCn1cc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 2765951 ZIBLTBWPMFYIGD-UHFFFAOYSA-N 310.335 1.290 5 50 DDBA CCn1ncc(NC(=O)Nc2cccc([N+](=O)[O-])c2)c1C(N)=O 610868 ZTXNNDAEZWSKLG-UHFFFAOYSA-N 318.293 1.554 5 50 DDBA Cc1ncc([N+](=O)[O-])n1CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 101362077 SIUSNGSTZSJBRN-PHIMTYICSA-N 306.322 1.275 5 50 DDBA O=[N+]([O-])c1cccc(CN2CCC(O)(Cn3ccnn3)CC2)c1 1875254682 NBDOFKRQNQEKHH-UHFFFAOYSA-N 317.349 1.213 5 50 DDBA Cc1nc(NC(=O)c2nn(C)cc2[N+](=O)[O-])nc2c1CCCC2 361442614 KBVLUMUQAQXXQS-UHFFFAOYSA-N 316.321 1.558 5 50 DDBA O=[N+]([O-])[C@@]12C=CC[C@@]([N+](=O)[O-])(CN(Cc3ccccc3)C1)C2 19787235 SRDQDMVAKXLEIV-CABCVRRESA-N 303.318 1.883 5 50 DDBA O=[N+]([O-])c1ccc(N2C[C@H](CO)C[C@@H]2CO)cc1C(F)(F)F 1776007190 XYEUIRRIFDELCS-PSASIEDQSA-N 320.267 1.793 5 50 DDBA Cc1ncc([N+](=O)[O-])n1CCOC(=S)NC(=O)c1ccco1 251473 XILUNAXJTZFHQZ-UHFFFAOYSA-N 324.318 1.424 5 50 DDBA N[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 170623430 VEVLOBGVPLTVOK-CQSZACIVSA-N 321.358 1.573 5 50 DDBA O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H]2CCc3c(O)cccc32)c1 296962545 YIRUTSBKPVIQOW-BXUZGUMPSA-N 318.333 1.135 5 50 DDBA C[C@@]1(NC(=O)Nc2ccc([N+](=O)[O-])cc2)CCS(=O)(=O)C1 5122001 GUWACOSMBSWJGQ-GFCCVEGCSA-N 313.335 1.294 5 50 DDBA O=[N+]([O-])c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] 4530176 JXDDVPGWKNDBTF-UHFFFAOYSA-N 300.170 1.797 5 50 DDBA O=[N+]([O-])c1ccc(OCc2nnn(CC(F)(F)F)n2)cc1 239761421 CJVXRUMZPLTGOD-UHFFFAOYSA-N 303.200 1.723 5 50 DDBA Cc1ccc(C(=O)O)cc1NC(=O)c1c([N+](=O)[O-])c(C)nn1C 2766000 JBVAWCLRFJKULO-UHFFFAOYSA-N 318.289 1.896 5 50 DDBA CCCc1[nH]nc(C(=O)N[C@H]2CN(CC)C[C@H]2C)c1[N+](=O)[O-] 610672987 FJGHJAQNTFCQFK-KOLCDFICSA-N 309.370 1.340 5 50 DDBA NS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 38705 BZHGNPUJSLSEPC-UHFFFAOYSA-N 321.314 1.495 5 50 DDBA CNC(=N)c1cc(I)cc([N+](=O)[O-])c1 610522 DUQKNTDUKLMVLC-UHFFFAOYSA-N 305.075 1.744 5 50 DDBA CCN1C[C@H](CN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])Oc2ccccc21 239591361 BBCCMERGBBIIHZ-OUCADQQQSA-N 319.361 1.398 5 50 DDBA COC(=O)c1cc(C(=O)NC[C@@H]2CCCO2)cc([N+](=O)[O-])c1 60831 WDFMNNPFDGBHGU-LBPRGKRZSA-N 308.290 1.290 5 50 DDBA O=C(Cn1cc([N+](=O)[O-])cn1)NN1CCCc2ccccc21 408516093 NCISDWOAIJQFEI-UHFFFAOYSA-N 301.306 1.275 5 50 DDBA COc1cccc(Nc2c([N+](=O)[O-])nc([N+](=O)[O-])n2CCO)c1 16309874 DUEQXYCXNLGIDZ-UHFFFAOYSA-N 323.265 1.444 5 50 DDBA CN(Cc1ncccn1)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 871596563 QJXJOJOJQORYAX-UHFFFAOYSA-N 313.317 1.906 5 50 DDBA O=C(O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 37339 HBPKKCWUSYDGFM-SNVBAGLBSA-N 314.319 1.223 5 50 DDBA CC(C)CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 285276 IMEGVVMILXCGGN-UHFFFAOYSA-N 319.361 1.925 5 50 DDBA O=[N+]([O-])c1ccc(NC(=S)NCCN2CCOCC2)cc1 22135339 LYLIPYDOCVRBDW-UHFFFAOYSA-N 310.379 1.213 5 50 DDBA Cc1cnc(NCCS(=O)(=O)NC(C)C)c([N+](=O)[O-])c1 172807816 PFZGFAYQDUPZPG-UHFFFAOYSA-N 302.356 1.038 5 50 DDBA CCOc1ccc(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])cn1 170594574 QEWDDNRHBYKRPP-UHFFFAOYSA-N 324.318 1.584 5 50 DDBA Cc1nc(N2CCN(CC(F)(F)CO)CC2)ccc1[N+](=O)[O-] 874435459 UDLDQXJCQDZLFA-UHFFFAOYSA-N 316.308 1.048 5 50 DDBA Cc1ccnc(N2CCC[C@@H](Cc3nn[nH]n3)C2)c1[N+](=O)[O-] 1775984980 XQHZXFWMEBINEE-JTQLQIEISA-N 303.326 1.270 5 50 DDBA O=C(Cn1nnc([N+](=O)[O-])n1)N(c1ccccc1)c1ccccc1 98277 IALYVQRNJYLRHM-UHFFFAOYSA-N 324.300 1.946 5 50 DDBA COC(=O)C12C[C@@H]3C[C@H](C1)CC(n1cnc([N+](=O)[O-])n1)(C3)C2 22023159 LNUFRLMDAUPATR-XYAOECAESA-N 306.322 1.655 5 50 DDBA COC(=O)C1=C(C)NC(=S)N[C@@H]1c1cccc([N+](=O)[O-])c1 285083 WKXYLZFLLHRNCP-LLVKDONJSA-N 307.331 1.561 5 50 DDBA biogenic COCCOCCN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 585090117 SLQPOOZYFZNHKN-UHFFFAOYSA-N 323.393 1.375 5 50 DDBA Cn1nccc1N1CCC[C@@H](Nc2ncc([N+](=O)[O-])s2)C1 241657592 PXNLBPBWAHSUIB-SECBINFHSA-N 308.367 1.866 5 50 DDBA O=C(Cc1ccc([N+](=O)[O-])cc1)OC[C@H]1CC(=O)N(C2CC2)C1 584907863 NYXCNMDXDIYCIE-LBPRGKRZSA-N 318.329 1.691 5 50 DDBA CCOc1ncc(C)cc1NC(=O)c1n[nH]c(C)c1[N+](=O)[O-] 295703160 IRPAZCLACOTQAA-UHFFFAOYSA-N 305.294 1.981 5 50 DDBA CNC(=O)NCCCN1CCN(c2ccccc2[N+](=O)[O-])CC1 5063967 PMRIUXAKSPSBOL-UHFFFAOYSA-N 321.381 1.036 5 50 DDBA Cc1c(C(=O)N2CCN(C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 25557558 ZCMULSUDPFTYKP-UHFFFAOYSA-N 308.294 1.199 5 50 DDBA CN1CCN(c2c([N+](=O)[O-])c(=O)n(C)c3ccccc23)CC1 4070461 XRKMNEDNOBXCJY-UHFFFAOYSA-N 302.334 1.199 5 50 DDBA Cn1nc([N+](=O)[O-])nc1Sc1nnc(-c2ccccc2)o1 465488 DKEDPTHWDLKTQQ-UHFFFAOYSA-N 304.291 1.925 5 50 DDBA COC(=O)c1ccc([N+](=O)[O-])c(NCCc2ccns2)n1 1332932932 OFKVLOYOULPXML-UHFFFAOYSA-N 308.319 1.888 5 50 DDBA CCn1nc(C)c([N+](=O)[O-])c1NCc1nnc(C)n1C1CC1 192747123 IHSICYZMIKCLKW-UHFFFAOYSA-N 305.342 1.967 5 50 DDBA O=C(Cn1cnc2ccccc2c1=O)Nc1ccccc1[N+](=O)[O-] 4581382 DMOIRLHWICVFRH-UHFFFAOYSA-N 324.296 1.943 5 50 DDBA CN(Cc1ccccc1)[C@]1(O)C(=O)Nc2ccc([N+](=O)[O-])cc21 4842943 RHRCUQWMZZRHPK-MRXNPFEDSA-N 313.313 1.824 5 50 DDBA C[C@@H](C(=O)NCc1nnnn1C1CC1)c1cccc([N+](=O)[O-])c1 617739580 LKWQBQKQBCVPLJ-SECBINFHSA-N 316.321 1.336 5 50 DDBA CN1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC12CCCCC2 585087689 HGTHCGGZLQHDTP-UHFFFAOYSA-N 321.381 1.268 5 50 DDBA C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1cc(O)nc(O)n1 670419703 VCGKSWXALHCYRF-QMMMGPOBSA-N 318.289 1.157 5 50 DDBA Cc1[nH]c(NC(=N)Nc2cccc([N+](=O)[O-])c2)nc(=O)c1C 18148547 ZHJXVTVBIMXAPB-UHFFFAOYSA-N 302.294 1.754 5 50 DDBA CCOC(=O)CNC(=O)OCCOc1ccc([N+](=O)[O-])cc1 3086149 MNKCCIOCZVXNBV-UHFFFAOYSA-N 312.278 1.263 5 50 DDBA O=[N+]([O-])c1ccccc1S(=O)(=O)NCCCN1CCCC1 10450151 WPLHLQYEZQXPNF-UHFFFAOYSA-N 313.379 1.359 5 50 DDBA O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@H](c2ccncc2)C1 328593373 IBUSZHXNCARHFT-ZDUSSCGKSA-N 315.333 1.593 5 50 DDBA Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H]1SC(=N)NC1=O 6054579 PFLQEBIEGSCIFO-VIFPVBQESA-N 308.319 1.398 5 50 DDBA C[C@H](C(=O)NCCN1CCOCC1)c1ccc([N+](=O)[O-])cc1 20272625 RCIHSUJVBOIIDR-LBPRGKRZSA-N 307.350 1.147 5 50 DDBA Cn1ncc([N+](=O)[O-])c1C(=O)NC1C2CC3CC(C2)CC1C3 375954 FAWDUQDQYPBANU-UHFFFAOYSA-N 304.350 1.883 5 50 DDBA CCOC(=O)C[C@H]1ON(C)C(=O)N1c1ccc([N+](=O)[O-])cc1 4085156 HPTMVJJGWMHTLN-LLVKDONJSA-N 309.278 1.678 5 50 DDBA O=C(NC[C@H]1CCCN1c1cccnn1)c1ccc([N+](=O)[O-])o1 253426452 IETNAMCTMYRUOE-SNVBAGLBSA-N 317.305 1.377 5 50 DDBA COC(Cn1ccc2c(c(=O)oc3ccccc32)c1=N)OC 1848443519 YJCDJOAVGZAJMG-UHFFFAOYSA-N 300.314 1.846 5 50 DDBA O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=C2NCc1ccccc1 4459434 NMXHWBJFXJQAFO-UHFFFAOYSA-N 317.326 1.834 5 50 DDBA CNc1ccc(C(=O)N[C@H]2CCN3CCCC[C@@H]23)cc1[N+](=O)[O-] 229400216 YWRWDGPMZJUEIH-KBPBESRZSA-N 318.377 1.993 5 50 DDBA COC(=O)C1(C)CC(N=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)C1 1875358272 PSKSAJXXGCDLEF-UHFFFAOYSA-N 304.306 1.647 5 50 DDBA COc1ccc(OC)c(NC(=O)Cn2cc([N+](=O)[O-])cn2)c1 1423206 RQPWHZBGUWTRQU-UHFFFAOYSA-N 306.278 1.447 5 50 DDBA O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)NC[C@H]2C[C@H]3C=C[C@H]2C3)cc1 230145994 IEVSXMDYTCGQRG-VKPHEEHNSA-N 318.373 1.791 5 50 DDBA CN1CC2CC1(CNC(=O)c1n[nH]c3ccc([N+](=O)[O-])cc13)C2 1775998401 BRKFIYUVWMBODY-UHFFFAOYSA-N 315.333 1.295 5 50 DDBA Cc1nc2ccccc2n1CCNC(=O)c1c[nH]nc1[N+](=O)[O-] 170617886 OPRMIDNFFUUAAW-UHFFFAOYSA-N 314.305 1.406 5 50 DDBA O=[N+]([O-])c1ccc(NS(=O)(=O)c2cnc3n2CCC3)cc1 170600129 XTPQAPRPBZBFBO-UHFFFAOYSA-N 308.319 1.538 5 50 DDBA Cn1nc([N+](=O)[O-])nc1Sc1nnc(-c2ccncc2)o1 2829276 YRVCILINVWSNSX-UHFFFAOYSA-N 305.279 1.320 5 50 DDBA Nc1cc(NC2CCN(c3cccnn3)CC2)ncc1[N+](=O)[O-] 1120789083 IJVFVPAUTQJUPO-UHFFFAOYSA-N 315.337 1.443 5 50 DDBA Cc1c(CN2CCC(N(C)CC(=O)O)CC2)cccc1[N+](=O)[O-] 186674034 LCWSTWFKIQLEFE-UHFFFAOYSA-N 321.377 1.884 5 50 DDBA N[C@@H]1CCCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 170091508 ACHOBVRRQFQBAF-GXFFZTMASA-N 313.379 1.391 5 50 DDBA Cc1nn(CC(=O)N2CCc3ccccc3C2)c(C)c1[N+](=O)[O-] 2729515 OYTZRLUOXFFKPF-UHFFFAOYSA-N 314.345 1.993 5 50 DDBA CNC1=NC(=O)C[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)S1 4681116 TVTQATICQDCKIG-VIFPVBQESA-N 308.319 1.141 5 50 DDBA Cc1nn(CN2C(=O)c3ccccc3C2=O)c(C)c1[N+](=O)[O-] 2808534 QLEWOTQHOYRWLK-UHFFFAOYSA-N 300.274 1.662 5 50 DDBA CC12CN3CC(C)(CN(C1)C3c1ccccc1[N+](=O)[O-])C2O 19320069 UQAIUZXLZWUECI-UHFFFAOYSA-N 303.362 1.612 5 50 DDBA O=C(NC(=S)NC[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-] 587245 RZGKXZZYSXABRY-VIFPVBQESA-N 309.347 1.378 5 50 DDBA CC(C)C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(N)=O 2894318 PBIRNLBBMNPGSY-LLVKDONJSA-N 324.293 1.133 5 50 DDBA Cc1cccc(C(=O)NC[C@H](C)N2CCOC[C@H]2C)c1[N+](=O)[O-] 247989254 LRUFIUVFTWMKNN-QWHCGFSZSA-N 321.377 1.742 5 50 DDBA O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCc2sccc2C1 130626933 ASIDNPMKZZZBBS-UHFFFAOYSA-N 321.362 1.621 5 50 DDBA Cc1ccnc(N2CCCN(c3cccnn3)CC2)c1[N+](=O)[O-] 265274297 VIOAHTWUZQUNPK-UHFFFAOYSA-N 314.349 1.805 5 50 DDBA O=[N+]([O-])c1ccc(N2C[C@H](CO)C[C@H]2CO)cc1C(F)(F)F 1776007191 XYEUIRRIFDELCS-SCZZXKLOSA-N 320.267 1.793 5 50 DDBA COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 195253 XFWUIELYJLHVLQ-LBPRGKRZSA-N 305.290 1.738 5 50 DDBA COc1c(C(=O)N[C@@H]2CCCC[C@@H]2CO)cccc1[N+](=O)[O-] 318955323 VILLAKBBOMURQE-ZYHUDNBSSA-N 308.334 1.884 5 50 DDBA CCOC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 197498480 KYPTUFDEWHVCJO-UHFFFAOYSA-N 317.095 1.859 5 50 DDBA CC(Nc1ccc([N+](=O)[O-])cc1)=C1C(=O)N(C)C(=O)N(C)C1=O 3878986 ZUBPAZYGKWBZBB-UHFFFAOYSA-N 318.289 1.331 5 50 DDBA Cc1c([N+](=O)[O-])c([N+](=O)[O-])nn1CC(=O)Nc1cccc(O)c1 13562420 LPYCFGPWDNUNJK-UHFFFAOYSA-N 321.249 1.352 5 50 DDBA COC(=O)C1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 456211 MHGWVPFEGOWYEH-UHFFFAOYSA-N 306.318 1.928 5 50 DDBA NC(=O)C1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 4988102 ZESBGBWTNXVJRA-UHFFFAOYSA-N 307.306 1.021 5 50 DDBA Cc1ccnc(N2CCC(c3nc(=O)[nH][nH]3)CC2)c1[N+](=O)[O-] 225534527 QDUDJJCMGKFTJJ-UHFFFAOYSA-N 304.310 1.094 5 50 DDBA CCOC(=O)CN1C(=O)C[C@H](c2ccc([N+](=O)[O-])cc2)C1=O 366263 NMRPOHVKAQYACD-LLVKDONJSA-N 306.274 1.000 5 50 DDBA COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(O)c([N+](=O)[O-])c1 36047192 VIAGTPKCPQRGFQ-NSHDSACASA-N 307.262 1.101 5 50 DDBA CCC[C@@H](C)C(=O)NS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] 850889575 WKRVZUGVWYFLTA-MRVPVSSYSA-N 318.326 1.975 5 50 DDBA O=[N+]([O-])c1ccc(N2C[C@H](CO)C[C@@H]2CO)cc1OC(F)F 1875289540 ZUTICRNEDKMGIW-PSASIEDQSA-N 318.276 1.376 5 50 DDBA CCOC(=O)c1cnn2cc(-c3n[nH]cc3[N+](=O)[O-])cnc12 8690019 BIAPDPDGWQHFTO-UHFFFAOYSA-N 302.250 1.204 5 50 DDBA Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc(C(N)=O)cs1 125825311 NQTOFDHGPSYFGR-UHFFFAOYSA-N 306.303 1.711 5 50 DDBA COC(=O)c1cccc([N+](=O)[O-])c1N1CCC[C@H](C(N)=O)C1 585092758 MQKOTZQKGGOPMZ-VIFPVBQESA-N 307.306 1.083 5 50 DDBA CCn1ncc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1C 6490067 ACGCUVNRMCIFIR-UHFFFAOYSA-N 324.362 1.598 5 50 DDBA O=[N+]([O-])c1ccc2c(c1)nc1n2CCN(C[C@@H]2CCCO2)C1 19874480 PHPVAMBUKIDZHF-LBPRGKRZSA-N 302.334 1.939 5 50 DDBA CCO[C@H]1C[C@@H](N(C)c2ncc([N+](=O)[O-])c(N)n2)C12CCC2 154909211 PHJMUSPBRAGJTQ-MNOVXSKESA-N 307.354 1.751 5 50 DDBA O=C(O)CN1C(=O)S/C(=C\c2ccccc2[N+](=O)[O-])C1=O 966704 JHSDXTLOBRHGEP-UITAMQMPSA-N 308.271 1.716 5 50 DDBA Cc1cc(=O)oc2cc(NC(=O)c3n[nH]cc3[N+](=O)[O-])ccc12 6413318 XFBVGVUBKFZNOI-UHFFFAOYSA-N 314.257 1.985 5 50 DDBA O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N[C@]1(CO)CCOC1 170594834 ZXVVWEJVSFUCAC-PMUGQKEBSA-N 310.281 1.015 5 50 DDBA COc1cc(/C=C2\SC(=N)NC2=O)c([N+](=O)[O-])cc1OC 16667291 OTYUDLYWAFNRJR-WMZJFQQLSA-N 309.303 1.751 5 50 DDBA CCNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 178274887 RFSSVGDDJDJEHI-UHFFFAOYSA-N 309.141 1.656 5 50 DDBA COc1ccc([C@@H]2NC(=O)CC[C@@H]2[N+](=O)[O-])c(OC)c1OC 451477 CEPAIOWRPDKZQP-CABZTGNLSA-N 310.306 1.309 5 50 DDBA C[C@@H](CN(C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1nnn[nH]1 183397896 LFBDPSOZMGSVML-YVFTVSHDSA-N 316.321 1.383 5 50 DDBA CC(C)[C@](C)(CN)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 155966088 RWQIAHLJICULPZ-LBPRGKRZSA-N 301.368 1.247 5 50 DDBA COc1cc(N2C[C@@H](C(N)=O)CC[C@@H]2C)c(F)cc1[N+](=O)[O-] 170604144 VYJDGMZIZAJEPO-IUCAKERBSA-N 311.313 1.833 5 50 DDBA COc1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])cn2)cc1 19852597 NBAXNWYIUCZZCH-UHFFFAOYSA-N 316.317 1.840 5 50 DDBA COc1ccc(CNC(=O)c2[nH]nc(OC)c2[N+](=O)[O-])cc1 4631284 VIZDPPCEUJJCOF-UHFFFAOYSA-N 306.278 1.265 5 50 DDBA CC(C)c1[nH]nc(C(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@H]4O)c1[N+](=O)[O-] 408428377 CXHGYAOHXUHXHF-JRLFGNFRSA-N 320.349 1.283 5 50 DDBA CC1(C)C[C@@H](O)CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 585131166 NNBOZBVBDWDRND-JTQLQIEISA-N 308.338 1.195 5 50 DDBA NC(=O)c1ccccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 615490 GOHMLAWCCBYWJM-UHFFFAOYSA-N 315.285 1.711 5 50 DDBA COc1ccc(CNC(=O)Cn2cc([N+](=O)[O-])cn2)cc1OC 4743073 MBDJODJWDOLIII-UHFFFAOYSA-N 320.305 1.125 5 50 DDBA CCC(CC)N(C1CC1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599220756 KVVFBVLOUSCNDV-UHFFFAOYSA-N 316.383 1.670 5 50 DDBA O=C(Cn1cc([N+](=O)[O-])cn1)NCc1cc(C(F)(F)F)on1 585087646 BGUDSXNFJIOKJZ-UHFFFAOYSA-N 319.199 1.115 5 50 DDBA COCC[C@@H](CO)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC 253424308 DGDBXSMBNHFCGF-VIFPVBQESA-N 313.310 1.122 5 50 DDBA O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1CCc2cncn2C1 239782413 COHUXYHVTYYZFR-LBPRGKRZSA-N 300.318 1.670 5 50 DDBA CNC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 275460465 MWEFFHNILGFXQD-UHFFFAOYSA-N 306.244 1.955 5 50 DDBA CCOC(=O)COc1cc2oc(=O)cc(C)c2cc1[N+](=O)[O-] 151008 HKSFDBGEYPQOBL-UHFFFAOYSA-N 307.258 1.952 5 50 DDBA C[C@@H]1CC(=O)NN=C1c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 4178768 HLIFKBPTGXCRCN-SNVBAGLBSA-N 318.333 1.292 5 50 DDBA C[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 244887829 YPFUMAKGRZTFRY-YXMPFFBPSA-N 300.270 1.428 5 50 DDBA Cn1nc([N+](=O)[O-])nc1Sc1nnnn1C1CCCCC1 1080451 ZIGRQYGWIVSDTD-UHFFFAOYSA-N 310.343 1.366 5 50 DDBA CN(C)C(=O)C1CCN(c2c([N+](=O)[O-])ccc3c2CCN3)CC1 170601971 PJYQDOJIAUZWBC-UHFFFAOYSA-N 318.377 1.867 5 50 DDBA CN1CCN(c2cc(N3CCOCC3)ccc2[N+](=O)[O-])CC1 5319769 HWLGHBKLHJVHCF-UHFFFAOYSA-N 306.366 1.183 5 50 DDBA O=C([C@@H]1CCCO1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4798164 DRQZPISSQSYBPI-AWEZNQCLSA-N 305.334 1.422 5 50 DDBA C[N+]1(C)[C@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@H]21 100027531 LZCOQTDXKCNBEE-DRRXZNNHSA-N 318.393 1.063 5 50 DDBA fda COc1c(OC)c([N+](=O)[O-])c(C(=O)O)c([N+](=O)[O-])c1OC 71769548 SSWIQWURDPOCGO-UHFFFAOYSA-N 302.195 1.227 5 50 DDBA C[Si](C)(C)[C@@]12[C@@H]3[C@@H]4C[C@H]5C(=O)[C@@H](C[C@@H]1C4=O)[C@]2([N+](=O)[O-])[C@@H]35 257355448 ASJGLUFJIUTQQS-ZRHZKIAFSA-N 305.406 1.764 5 50 DDBA O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@H]1Cc1ccccc1 349916756 XTQMRAPVJXUXSS-ZDUSSCGKSA-N 300.318 1.635 5 50 DDBA Nc1nnc(CCNc2ccc([N+](=O)[O-])c3cccnc23)o1 170603348 OYCUYOQJJSRIPN-UHFFFAOYSA-N 300.278 1.763 5 50 DDBA COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1 295781927 DKJINHOWVLTLHZ-NEPJUHHUSA-N 324.337 1.029 5 50 DDBA CC[C@H](Nc1c([N+](=O)[O-])cc(CO)c(C)c1[N+](=O)[O-])[C@@H](C)O 958659420 GWZPKSACAXIJKR-SCZZXKLOSA-N 313.310 1.875 5 50 DDBA O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CC[C@H]2OCCC[C@@H]2C1 119273664 NQJHRROJZZGTAJ-BXUZGUMPSA-N 306.318 1.942 5 50 DDBA COCCn1ccc2nc3ccn(C4CC4)c(=O)c3cc2c1=O 38829391 MDXUCHWVUUZKHU-UHFFFAOYSA-N 311.341 1.693 5 50 DDBA CC[C@@H](CO)NC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O 1059721 ICLPHFPPZQIBDW-VIFPVBQESA-N 306.274 1.202 5 50 DDBA COc1cc(CN2CCN3CCC[C@@H]3[C@@H]2C)cc([N+](=O)[O-])c1O 22078304 FKQRJXJILFLYQQ-WCQYABFASA-N 321.377 1.978 5 50 DDBA O=C(NN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1ccco1 260974 GDXMHZAXHLHXSX-UHFFFAOYSA-N 301.214 1.129 5 50 DDBA O=C(C[C@@H](C(=O)O)N1CCCCC1)Nc1cccc([N+](=O)[O-])c1 3890087 DLDZOGIUOZNIEE-ZDUSSCGKSA-N 321.333 1.863 5 50 DDBA NS(=O)(=O)C[C@@H]1CCCN1c1ccc(Cl)cc1[N+](=O)[O-] 349219580 RCXDCIWFRJCPRE-VIFPVBQESA-N 319.770 1.506 5 50 DDBA O=C1NC(=S)N/C1=C\c1cccn1-c1ccc([N+](=O)[O-])cc1 3207849 FMLUAKSJMUPACD-WQLSENKSSA-N 314.326 1.731 5 50 DDBA C[C@@H]1CC[S@](=O)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 242273795 YFYHKKLXYXJTQC-UZJPJQLHSA-N 311.363 1.970 5 50 DDBA O=C(Cn1ccc([N+](=O)[O-])n1)N1CCOC(C2CC2)(C2CC2)C1 598364551 PIMDYUJWDSLUDP-UHFFFAOYSA-N 320.349 1.209 5 50 DDBA C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)c2ccccc2O1 264800176 UKMVOSKIDNLURP-SNVBAGLBSA-N 302.290 1.605 5 50 DDBA Cc1n[nH]cc1CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O 225534778 QNGFJEWBFTYXCB-UHFFFAOYSA-N 310.335 1.642 5 50 DDBA CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)OCCO3)n1 484461 UOGQGPNHRALTMP-UHFFFAOYSA-N 318.289 1.835 5 50 DDBA O=[N+]([O-])c1ccc(S(=O)(=O)N2CCOCC23CCC3)cc1 123703797 PJPPZMHTWKTNAX-UHFFFAOYSA-N 312.347 1.538 5 50 DDBA CN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ncc[nH]1 408514406 WXLGHHFJBBHEBD-UHFFFAOYSA-N 324.362 1.224 5 50 DDBA COC(=O)c1cc([N+](=O)[O-])cc(C)c1-n1ccc([N+](=O)[O-])n1 170613110 UUNVCSJEOYFOMU-UHFFFAOYSA-N 306.234 1.784 5 50 DDBA Cc1nc([N+](=O)[O-])c(SC[C@H](O)CN2CCCCC2)[nH]1 5687095 YGVSKPOGKRSMQT-SNVBAGLBSA-N 300.384 1.565 5 50 DDBA O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)N1CCCCC1 69861 NMAQKWINROBMJA-UHFFFAOYSA-N 317.301 1.203 5 50 DDBA COc1ccc2c3c1O[C@@H]1[C@H](O)C=C[C@H]4[C@@H](C2)[N+](C)(C)CC[C@]314 247650112 MLIBORQWQWVNCO-YLWMSMLNSA-N 314.405 1.646 5 50 DDBA biogenic CSc1ccc(C(=O)NCC2(C(=O)O)CC2)cc1[N+](=O)[O-] 166952014 QAHRIJGUBULJHF-UHFFFAOYSA-N 310.331 1.911 5 50 DDBA Cc1cccc2nc(CCNc3c([N+](=O)[O-])ncn3C)cn12 585089064 QSIMUTPXEIEHQN-UHFFFAOYSA-N 300.322 1.939 5 50 DDBA CCS(=O)(=O)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1 19842682 UZZLAGRPSAUYRG-UHFFFAOYSA-N 313.379 1.062 5 50 DDBA CC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1N 122660070 NGOBRWARCISHHZ-GWCFXTLKSA-N 313.379 1.343 5 50 DDBA COC(=O)c1cc(NC(=O)Cn2cc([N+](=O)[O-])cn2)c(C)s1 408520323 VGTQVLYOULDJAG-UHFFFAOYSA-N 324.318 1.587 5 50 DDBA O=[N+]([O-])c1ccc(NCc2cnn(CCO)c2)c([N+](=O)[O-])c1 1615614625 IREJACOUYPTFQD-UHFFFAOYSA-N 307.266 1.304 5 50 DDBA C[C@H](Cc1cn(C)nn1)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 1616040717 VCIZXZROZYJDOY-MRVPVSSYSA-N 323.740 1.738 5 50 DDBA O=C(NN1C(=O)c2ccccc2C1=O)c1ccc([N+](=O)[O-])cc1 361772 BRNUNGQDJMNVOJ-UHFFFAOYSA-N 311.253 1.536 5 50 DDBA C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)C[C@H]1N1CCOCC1 408466151 IPFDKHFFFDLKRC-ZWNOBZJWSA-N 310.329 1.286 5 50 DDBA O=[N+]([O-])c1ccc(N2[C@H]3C[C@H]4[C@H]([C@@H]3O)[C@@H]3C[C@H]4[C@@H](O)[C@@H]32)c(F)c1 585092104 FOVTYJNHGDDBOC-JAWSITJGSA-N 320.320 1.299 5 50 DDBA C[C@H](O)CN1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 225405916 GERCMQIEIBWJAL-NEPJUHHUSA-N 322.365 1.514 5 50 DDBA CC(C)[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C1(CO)CCC1 408517752 RLUFMVTYDQPMMD-ZDUSSCGKSA-N 310.354 1.095 5 50 DDBA O=C(COC[C@H]1CCCO1)N1CCc2c1ccc([N+](=O)[O-])c2F 585124676 MIRQIUXACLHBKZ-SNVBAGLBSA-N 324.308 1.819 5 50 DDBA Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCN(c2ccc(F)cc2)C1=O 413554358 QESMWUQISSXGLH-LLVKDONJSA-N 319.296 1.685 5 50 DDBA O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N[C@@]1(CO)CCOC1 170594835 ZXVVWEJVSFUCAC-KWEXDPCDSA-N 310.281 1.015 5 50 DDBA NC(=O)[C@@]1(O)CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 170606544 UIXCZZPTXOSCMK-LLVKDONJSA-N 319.239 1.040 5 50 DDBA COC(=O)/C=C(\C)Cn1cc(Br)c([N+](=O)[O-])n1 585118842 DYKNCOVMMBWJDZ-ZZXKWVIFSA-N 304.100 1.673 5 50 DDBA O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@@H](CO)[C@@H](O)C1 225360115 MQIKRCTVGFTIAB-UFBFGSQYSA-N 320.267 1.793 5 50 DDBA O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[C@H]1CCCNC1 110792558 DOJVHBVUQRGAGC-LLVKDONJSA-N 313.379 1.263 5 50 DDBA Cc1cc(S(=O)(=O)N(C)c2ccn(C)n2)cc([N+](=O)[O-])c1C 585088796 QDRMKHAMMZLIFX-UHFFFAOYSA-N 324.362 1.770 5 50 DDBA COC(=O)c1ccc(Cn2nc([N+](=O)[O-])c([N+](=O)[O-])c2C)cc1 4294270 BABMIBQCFAFYFF-UHFFFAOYSA-N 320.261 1.843 5 50 DDBA O=C(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)c1cccc([N+](=O)[O-])c1O 163390795 OFZOSGKWAWJJJI-XWIASGKRSA-N 306.318 1.988 5 50 DDBA C[N+](C)(C)CCO[P@@](=O)(O)Oc1ccc([N+](=O)[O-])cc1 4521729 NAIXASFEPQPICN-UHFFFAOYSA-O 305.247 1.797 5 50 DDBA in-vitro O=[N+]([O-])c1ccc(N2CC[C@@H](c3cc(O)nc(O)n3)C2)c(F)c1 585092523 BWBULFYXITXHID-MRVPVSSYSA-N 320.280 1.929 5 50 DDBA CNc1c([N+](=O)[O-])c(NC)c([N+](=O)[O-])c(NC)c1[N+](=O)[O-] 100879829 FTJDNUJCTGQSKC-UHFFFAOYSA-N 300.231 1.536 5 50 DDBA O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CCOCC1 374991 LPFTVCCUASWHQD-UHFFFAOYSA-N 315.123 1.830 5 50 DDBA Cc1c([N+](=O)[O-])c(C(=O)NC2CCN(C(C)C)CC2)nn1C 2780863 SFVIRQBVFLSHJS-UHFFFAOYSA-N 309.370 1.239 5 50 DDBA N[C@H]1CCC[C@@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 420463395 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COc1ccc(NC(=O)c2nn(C)c(C)c2[N+](=O)[O-])c(OC)c1 1002447 UDIVDDUMSJGFBN-UHFFFAOYSA-N 320.305 1.906 5 50 DDBA O=C1Nc2ccc([N+](=O)[O-])cc2O[C@H]1CCN1CCOCC1 12958805 RTIGEQWOXHPYPG-LBPRGKRZSA-N 307.306 1.017 5 50 DDBA O=[N+]([O-])c1cc2c(cc1/C=C1/[C@H](O)C3CCN1CC3)OCO2 15017086 LKFUYMGWPXKBAO-HYMFSAHRSA-N 304.302 1.751 5 50 DDBA O=C1O[C@@H]2C[C@H]3C[C@@H]2[C@H]1[C@@H]3C(=O)Nc1ccc([N+](=O)[O-])cc1 4821211 UISPVILPNWSMGC-UYYQOPGSSA-N 302.286 1.731 5 50 DDBA NS(=O)(=O)c1ccc(N2C[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)c([N+](=O)[O-])c1 247708314 GSJMUGXWLXUBBD-KJWJVKQFSA-N 323.374 1.477 5 50 DDBA Cc1c(CC(=O)N(C)C[C@H](C)c2nnn[nH]2)cccc1[N+](=O)[O-] 124504284 SVKYLMUZKKAKMP-VIFPVBQESA-N 318.337 1.221 5 50 DDBA Cc1ccc(C(=O)OCCc2cnc(O)nc2)cc1[N+](=O)[O-] 240465834 GAQLMUMRKPEECZ-UHFFFAOYSA-N 303.274 1.798 5 50 DDBA Nc1nccc(C(=O)N2CCOC3(CCCCC3)C2)c1[N+](=O)[O-] 408517136 VGGZWTXLQKLGRX-UHFFFAOYSA-N 320.349 1.747 5 50 DDBA Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nccc(=O)[nH]1 9143481 YGEGUYWJXPICKH-UHFFFAOYSA-N 320.330 1.717 5 50 DDBA C[C@H](CN(C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1nnn[nH]1 183397912 LFBDPSOZMGSVML-VHODGJRUSA-N 316.321 1.383 5 50 DDBA CC1(C)Cc2n[nH]cc2CN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 1261646394 HLCHNKSZZPOVLF-UHFFFAOYSA-N 304.310 1.266 5 50 DDBA COC(=O)CN1CCC[C@H](CNc2ccc([N+](=O)[O-])cn2)C1 241231187 KSWNAWROMRAKCC-LLVKDONJSA-N 308.338 1.287 5 50 DDBA O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CC[C@H]2C2CC2)cc1 408519826 MJJJJSNYVZVHCG-AWEZNQCLSA-N 310.375 1.853 5 50 DDBA O=C1N[C@]2(C(=O)NCc3ccccc3[N+](=O)[O-])C[C@H]3C[C@H]1[C@H]2C3 593032463 XKOHSBLEFVFYCR-UCIVKPIZSA-N 315.329 1.126 5 50 DDBA CNC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1 4833853 QYWNPEDOTFNCSE-FMIVXFBMSA-N 315.285 1.705 5 50 DDBA Cc1cccc(NC(=O)c2ccc(NCCO)c([N+](=O)[O-])c2)n1 5069407 TZZBXEPUENOQNG-UHFFFAOYSA-N 316.317 1.955 5 50 DDBA C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(O)nn1 361967176 RJTQAQWYWUSGBH-QMMMGPOBSA-N 320.330 2.210 5 50 DDBA CCOc1cc(NC[C@@H]2CN3CCN2CC3)ccc1[N+](=O)[O-] 170683227 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CCN(c1ccc(C)nn1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 170617431 CLAIFNGFAUUPKU-UHFFFAOYSA-N 322.346 1.908 5 50 DDBA O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(CCO)CC1 19771157 CSQYNPKWTDSSNB-UHFFFAOYSA-N 319.283 1.728 5 50 DDBA Cc1cc(NC(=O)Cn2nc([N+](=O)[O-])cc2C)n(C(C)(C)C)n1 170619298 WJPHBNDCDDPGHG-UHFFFAOYSA-N 320.353 1.998 5 50 DDBA CN(CCc1cnc[nH]1)CC(=O)Nc1ccccc1[N+](=O)[O-] 1875273864 XLHOHRPMNKCSRG-UHFFFAOYSA-N 303.322 1.431 5 50 DDBA Cc1noc(=O)n1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 1875391487 COQJBSQBBRTWKT-UHFFFAOYSA-N 320.261 1.051 5 50 DDBA CN1CC[C@@H]1CNC(=O)c1cc(Br)c([N+](=O)[O-])[nH]1 2325797278 ZWWXGEOZKNQLSA-ZCFIWIBFSA-N 317.143 1.119 5 50 DDBA CC(C)C[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)O 84645 VRHVHBIUCNRUOK-SECBINFHSA-N 316.335 1.372 5 50 DDBA COCc1nnc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)s1 4891794 XOFJKHCBTSMRMZ-UHFFFAOYSA-N 324.318 1.854 5 50 DDBA C=CC(=O)NCCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 264715429 FMRVGNITEVVMHE-UHFFFAOYSA-N 319.361 1.924 5 50 DDBA Cc1cn2c(n1)CC[C@@H](CN(C)c1cnc([N+](=O)[O-])c(O)c1)C2 1776006592 YBTOUBWONGHTOP-NSHDSACASA-N 317.349 1.899 5 50 DDBA COC(=O)c1cc(C(=O)NCc2ccccn2)cc([N+](=O)[O-])c1 60829 DRXDJUXCDMCHHM-UHFFFAOYSA-N 315.285 1.706 5 50 DDBA COCCC(=O)N1CCN(c2cccc(C)c2[N+](=O)[O-])CC1 225592492 INHRUHZFEHMQRJ-UHFFFAOYSA-N 307.350 1.588 5 50 DDBA Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@H]3O2)c([N+](=O)[O-])c1 101356566 GDYKLRVZRPIDKJ-FDYHWXHSSA-N 300.270 1.346 5 50 DDBA O=c1ccc(=O)c2c(=O)c3c(Cl)ccc(Cl)c3c(=O)c1=2 39618133 SCTWWYJJYPRROF-UHFFFAOYSA-N 307.088 1.188 5 50 DDBA C[N+]1([O-])[C@H]2CC[C@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2 469839159 HGWPFSBHDACWNL-UNTFWZCKSA-N 305.374 1.944 5 50 DDBA O=C(CN1CCN2C[C@@H](F)C[C@H]2C1)Nc1ccccc1[N+](=O)[O-] 952883705 YWQRBPOVNFGJFE-RYUDHWBXSA-N 322.340 1.261 5 50 DDBA CC(C)NS(=O)(=O)N(C)CCc1ccccc1[N+](=O)[O-] 285448177 XTVCYIFFCQJWRN-UHFFFAOYSA-N 301.368 1.312 5 50 DDBA CN/C(=C/[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1 1530729 VMXUWOKSQNHOCA-LCYFTJDESA-N 314.411 1.459 5 50 DDBA in-man Cc1ccnc(N2CCC(Cc3nncn3C)CC2)c1[N+](=O)[O-] 952992464 FJJVGUUACVVWGX-UHFFFAOYSA-N 316.365 1.886 5 50 DDBA COc1cccc(CNC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c1 4548827 XQEWERWJZLYWHB-UHFFFAOYSA-N 318.333 1.733 5 50 DDBA O=C(NCc1ccccn1)C(=O)Nc1ccc([N+](=O)[O-])cc1 4688497 IHPSKSNATQQUIG-UHFFFAOYSA-N 300.274 1.245 5 50 DDBA O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CC(n2cncn2)C1 1614581142 HGDFTSUZAIFGIU-UHFFFAOYSA-N 321.724 1.466 5 50 DDBA O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCNCC1 3884188 ADMOXSJPOKMGFZ-UHFFFAOYSA-N 320.227 1.931 5 50 DDBA in-vitro NS(=O)(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 1227644 XABHUDBNLNXWAY-UHFFFAOYSA-N 321.314 1.495 5 50 DDBA N[C@@H]1CCC[C@@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 420463391 IQWYDYIUWWZIIC-GHMZBOCLSA-N 313.379 1.391 5 50 DDBA Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](n2cccn2)C1 170597843 NFYSWRILUJKQIB-LBPRGKRZSA-N 315.333 1.851 5 50 DDBA CCOC(=O)C[C@@H]1ON(C)C(=O)N1c1ccc([N+](=O)[O-])cc1 4085157 HPTMVJJGWMHTLN-NSHDSACASA-N 309.278 1.678 5 50 DDBA CNS(=O)(=O)c1ccc(N(C)[C@H]2CC2(C)C)c([N+](=O)[O-])c1 170615821 NYBRSECNHUNDBF-LBPRGKRZSA-N 313.379 1.738 5 50 DDBA O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC2(CC1)OCCO2 5060446 OAQGHUJJSCZWBY-UHFFFAOYSA-N 307.306 1.966 5 50 DDBA CC(=O)N(C(C)=O)c1cc(N2CCOCC2)c([N+](=O)[O-])cc1C 4104329 HSMUSYRKQHBMJF-UHFFFAOYSA-N 321.333 1.639 5 50 DDBA O=[N+]([O-])c1ccc(NC[C@H]2CN3CCC[C@H]3CO2)c([N+](=O)[O-])c1 225172437 BZFMCOSVGRRKKU-RYUDHWBXSA-N 322.321 1.778 5 50 DDBA O=C(N[C@H]1CCO[C@H](C2CC2)C1)c1ccc(O)c([N+](=O)[O-])c1 157189344 CQADNTWGSVTSJQ-FZMZJTMJSA-N 306.318 1.988 5 50 DDBA O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1cc([N+](=O)[O-])ccc1O 244734877 NNIFNKFYWKYIBB-GYBADROVSA-N 300.270 1.612 5 50 DDBA O=C(NC(=S)NC[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 315733 TVOXCYWLEYMHQF-LLVKDONJSA-N 309.347 1.378 5 50 DDBA COC[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@@H](C)O1 275978424 LWWKKOXIZOCKBJ-RNCFNFMXSA-N 310.306 1.176 5 50 DDBA O=[N+]([O-])c1ccc(NCCNS(=O)(=O)c2ccccc2)cc1 4359317 ATIVCGWHOKFOCL-UHFFFAOYSA-N 321.358 1.985 5 50 DDBA NC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 170614344 DJILYOFIJNAOMA-ZDUSSCGKSA-N 313.379 1.391 5 50 DDBA CCn1cc([C@H](C)NC(=O)Cn2cc([N+](=O)[O-])cn2)c(C)n1 374950 LWZNBSOFIINEIO-VIFPVBQESA-N 306.326 1.194 5 50 DDBA Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H](CN2CC[C@@H](O)C2)C1 585132696 NBXLOWUAFOVJCH-UKRRQHHQSA-N 320.393 1.581 5 50 DDBA C[C@H](CNC(=O)[C@H]1C[C@H]1[N+](=O)[O-])N1CCc2sccc2C1 252477521 PVHDRJFKGMYCEI-ADEWGFFLSA-N 309.391 1.276 5 50 DDBA O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1cc([N+](=O)[O-])ccc1O 100668265 NNIFNKFYWKYIBB-QQXRRDQMSA-N 300.270 1.612 5 50 DDBA CC[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1N 122659811 NGOBRWARCISHHZ-MFKMUULPSA-N 313.379 1.343 5 50 DDBA C[C@@H]1CN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC[C@H]1C 242288014 YKKQNJRAOBRAMJ-NXEZZACHSA-N 313.379 1.725 5 50 DDBA Nc1ncnc(N2CCN(c3ccc(F)cc3)CC2)c1[N+](=O)[O-] 5064370 PEMWNMQNBLUTLO-UHFFFAOYSA-N 318.312 1.433 5 50 DDBA Nc1nc(-c2cccnc2)nn1C(=O)c1ccc([N+](=O)[O-])cc1 612257 UEMRJCHQHOHJTG-UHFFFAOYSA-N 310.273 1.519 5 50 DDBA Cc1nn(CC(=O)NCc2ccccc2F)c(C)c1[N+](=O)[O-] 370945 AFLSYVSUTRBVBG-UHFFFAOYSA-N 306.297 1.864 5 50 DDBA Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1cccc2nonc12 1432099 OOQUUOKFFCIKFP-UHFFFAOYSA-N 302.250 1.275 5 50 DDBA Cc1ccc(NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2O3)cc1[N+](=O)[O-] 239159526 MGXPBFSXDVZTQW-FDYHWXHSSA-N 318.285 1.496 5 50 DDBA Cc1nc([C@H]2CCCN2c2ncc([N+](=O)[O-])c(N)n2)[nH]c1C 887268234 GJNCPRNNNJZWJL-SECBINFHSA-N 303.326 1.648 5 50 DDBA COC(=O)[C@@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1[N@@+]2(C)[O-] 257354874 CQWXYUZZXCRUDE-DTFBLWLJSA-N 319.357 1.880 5 50 DDBA CN1CCO[C@H](CN(C)c2ccc3cnccc3c2[N+](=O)[O-])C1 599040423 OVJCRINPJZCBGJ-ZDUSSCGKSA-N 316.361 1.910 5 50 DDBA Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)[C@H]1C[C@@H]1[N+](=O)[O-] 248086793 SNAQHXUZKQFKST-SDADXPQNSA-N 315.373 1.795 5 50 DDBA CN1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 36021336 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CNS(=O)(=O)c1ccc(N[C@@H](C)C(C)(F)F)c([N+](=O)[O-])c1 585088408 GMPJKHJIGWVPKN-ZETCQYMHSA-N 323.321 1.959 5 50 DDBA CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1[N+](=O)[O-] 5247350 YOEWOZKUGHLERD-GFCCVEGCSA-N 321.358 1.951 5 50 DDBA Cc1ccc(C)c(S(=O)(=O)NCCNC2CC2)c1[N+](=O)[O-] 193258858 WJOZNTUXJLPAQA-UHFFFAOYSA-N 313.379 1.242 5 50 DDBA CC(=O)N1N=C2C3CCN(CC3)[C@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1 19791336 OMTQXFHLBYPEMY-JKSUJKDBSA-N 314.345 1.948 5 50 DDBA biogenic Cn1cc(N2C[C@H](Nc3ccc([N+](=O)[O-])cc3F)CC2=O)cn1 1615586489 AUDTVGDPHRMATK-SECBINFHSA-N 319.296 1.685 5 50 DDBA O=[N+]([O-])c1c(N[C@@H](CO)CC2OCCO2)ccc2ncccc12 952991947 FONUGSVNVIRFON-SNVBAGLBSA-N 319.317 1.679 5 50 DDBA NC(=O)c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 335488 SDNWGRHMQURCMC-UHFFFAOYSA-N 321.314 1.495 5 50 DDBA Cn1cnnc1SCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 2549313 PJIVTDYDBHARRR-UHFFFAOYSA-N 311.298 1.593 5 50 DDBA COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1cnn[nH]1 267312402 DJERVJZGSLZJAX-SSDOTTSWSA-N 323.334 1.841 5 50 DDBA O=C1C[C@@H](N2CCCCC2)C(=O)N1c1ccc([N+](=O)[O-])cc1 4653527 BIONVTNEDKVIAY-CYBMUJFWSA-N 303.318 1.713 5 50 DDBA O=C(C[C@H]1CSCCN1)N1Cc2ccc([N+](=O)[O-])cc2C1 170050189 UNQHRINRCBSWFA-LBPRGKRZSA-N 307.375 1.532 5 50 DDBA Cc1c([N+](=O)[O-])ncn1CC(=O)N1CCc2sccc2C1 1775993664 URXOQQPPYAJNCB-UHFFFAOYSA-N 306.347 1.746 5 50 DDBA O=[N+]([O-])c1ccc(N2CCNCC2)cc1NC[C@@H]1CCCO1 4140714 NBQUAKXLTFLOAI-ZDUSSCGKSA-N 306.366 1.595 5 50 DDBA COC(=O)c1ccccc1NC(=O)Cc1c([N+](=O)[O-])cnn1C 3130604 DDAYJMSVSYHCJA-UHFFFAOYSA-N 318.289 1.296 5 50 DDBA CCC[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])C(=O)O 185030861 UINQLYHUOPVASO-LLVKDONJSA-N 309.322 1.766 5 50 DDBA CO[C@H](C)CS(=O)(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C 585129101 XXZOHLAJSCUPRV-VHSXEESVSA-N 314.363 1.711 5 50 DDBA COC(=O)c1cc(NC(C)=O)c(C)c(NC(C)=O)c1[N+](=O)[O-] 5059905 MXEXEGKNNJVQNE-UHFFFAOYSA-N 309.278 1.607 5 50 DDBA COc1cc([C@H]2NC(=O)CC[C@@H]2[N+](=O)[O-])cc(Cl)c1O 85967 RTXKQSOCNPKWMF-GZMMTYOYSA-N 300.698 1.651 5 50 DDBA COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 195121 PAGLXUNRBQKWFL-GFCCVEGCSA-N 305.290 1.738 5 50 DDBA C[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@@H](CO)c3ccccc3)C[C@H]1C[C@H]2O 226761516 IYSMYVOALXTCSU-QUSNUVHPSA-N 320.409 1.046 5 50 DDBA C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 209613 XVENDFRFPBJYCR-UWVGGRQHSA-N 300.336 1.393 5 50 DDBA Cn1ccnc1N1CCC(Nc2ncc([N+](=O)[O-])cn2)CC1 253429041 BWRHQUVXNBXMSH-UHFFFAOYSA-N 303.326 1.199 5 50 DDBA COc1cc(N2C[C@@H](C)[C@@H](N3CCOCC3)C2)ccc1[N+](=O)[O-] 267515368 DBCVWHNGRMIFCA-DOMZBBRYSA-N 321.377 1.760 5 50 DDBA COC(=O)[C@@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1[N@+]2(C)[O-] 257354876 CQWXYUZZXCRUDE-SFUJAXRZSA-N 319.357 1.880 5 50 DDBA O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)Nn1cnnc1 253425904 WLDQXFPVGLFXGH-UHFFFAOYSA-N 314.208 1.563 5 50 DDBA C[C@H]1CC[S@@](=O)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 242273792 YFYHKKLXYXJTQC-CHNSCGDPSA-N 311.363 1.970 5 50 DDBA O=[N+]([O-])c1ccc(CN2CCN(c3ncccn3)CC2)s1 22591644 KSMMLVOYOVRDOP-UHFFFAOYSA-N 305.363 1.769 5 50 DDBA CCOc1ccccc1CNC(=O)c1c([N+](=O)[O-])c(C)nn1C 1002641 FMSXLMFXWKCIDA-UHFFFAOYSA-N 318.333 1.965 5 50 DDBA Cc1cc([N+](=O)[O-])nn1C[C@H](C)C(=O)N[C@@H](C)[C@H]1CCCO1 245226266 NBDDIGZRLILDLR-ZMLRMANQSA-N 310.354 1.420 5 50 DDBA COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc([N+](=O)[O-])ccc1OC 458368 GZCLKCYWIIXQKK-GFCCVEGCSA-N 321.289 1.404 5 50 DDBA C[C@H](NC(=O)N(C)Cc1nnc[nH]1)c1cccc([N+](=O)[O-])c1 225854051 VMKHDGUIGMEGSH-VIFPVBQESA-N 304.310 1.616 5 50 DDBA CC(C)(C)OC(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 115638549 KURDKBAAQRGXSB-UHFFFAOYSA-N 302.308 1.808 5 50 DDBA COc1c(C(=O)N[C@@H]2CCCC[C@H]2CO)cccc1[N+](=O)[O-] 318954630 VILLAKBBOMURQE-CMPLNLGQSA-N 308.334 1.884 5 50 DDBA CN(Sc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 4833792 SJZPHOGNFANLPP-SNVBAGLBSA-N 302.377 1.721 5 50 DDBA Cc1ccnn1CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 2782395 LHDQPKCEQIQOOC-UHFFFAOYSA-N 324.362 1.468 5 50 DDBA Cc1cc([N+](=O)[O-])nn1CC(=O)NCCOc1ccc(F)cc1 225477460 ASYIGZLILRBITG-UHFFFAOYSA-N 322.296 1.434 5 50 DDBA O=C1COc2ccc(C(=O)Cn3nccc3[N+](=O)[O-])cc2N1 253416546 RPHAHEUMZYRENT-UHFFFAOYSA-N 302.246 1.005 5 50 DDBA COC(=O)c1c(N)c2cc([N+](=O)[O-])cnc2n1C[C@H]1CCCO1 601014560 WNIPEOGIRYJOSL-SECBINFHSA-N 320.305 1.492 5 50 DDBA O=c1c2ccccc2c2c1nc1c(=O)c3ccccc3c(=O)n12 282619 XSBWKMOVBQJRPV-UHFFFAOYSA-N 300.273 1.750 5 50 DDBA COc1ccc(CNC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1 325717 CLISBGUVVHACCQ-UHFFFAOYSA-N 318.333 1.733 5 50 DDBA O=C(N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)C1(O)CCC1 170083700 QOTOKWDPPZHVBL-UHFFFAOYSA-N 319.361 1.154 5 50 DDBA CO[C@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CC[C@H]1C 170603473 CCZXTRATEUKDFX-RISCZKNCSA-N 308.334 1.857 5 50 DDBA CN(CCN(C)C1CC1)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 408519744 XSHSHBSYVZVKQF-CQSZACIVSA-N 307.350 1.181 5 50 DDBA CC(C)OCCCNc1cc(S(N)(=O)=O)ccc1[N+](=O)[O-] 585092496 AQPICOQOMYEADB-UHFFFAOYSA-N 317.367 1.469 5 50 DDBA O=C(Cn1cc(/C=C/[N+](=O)[O-])c2ccccc21)N1CCOCC1 563799 CGLFKYWFPAAAPW-AATRIKPKSA-N 315.329 1.748 5 50 DDBA COC(=O)C1=Cc2cc([N+](=O)[O-])ccc2O[C@@H]1N1CCOCC1 19770666 ZXKJHNDADNNJJT-AWEZNQCLSA-N 320.301 1.202 5 50 DDBA CC(=O)Nc1ccc(NC(=O)Cn2nc([N+](=O)[O-])cc2C)cc1 1428830 KCPGPJPLQTYFSH-UHFFFAOYSA-N 317.305 1.697 5 50 DDBA O=C(O)CN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 238075039 JABLSVUTIPSBOW-UHFFFAOYSA-N 317.301 1.694 5 50 DDBA Cc1nn2c(=O)cc(-c3ccc([N+](=O)[O-])cc3)sc2nc1=O 2546653 XOHYFIIZLCGGTK-UHFFFAOYSA-N 316.298 1.395 5 50 DDBA C[N+](C)(C)C[C@@H](CC(=O)O)OC(=O)CCCCCCC(=O)O 65748732 YVWVEIPYMGBQPE-GFCCVEGCSA-O 318.390 1.504 5 50 DDBA in-vitro Cc1ccc(CN2CC[C@H](C)S(=O)(=O)CC2)cc1[N+](=O)[O-] 192049479 WJPHYKFVNDRNTQ-LBPRGKRZSA-N 312.391 1.912 5 50 DDBA COc1cc(CN2CCN3CCC[C@@H]3[C@H]2C)cc([N+](=O)[O-])c1O 43164449 FKQRJXJILFLYQQ-DGCLKSJQSA-N 321.377 1.978 5 50 DDBA Cc1cc(C(=O)NC[C@H](C)Cn2ccnc2)c(N)c([N+](=O)[O-])c1 176829532 BORPETSOSJKDJL-NSHDSACASA-N 317.349 1.748 5 50 DDBA Cc1cc(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)on1 188497381 VLRZZUZBQJXBLJ-UHFFFAOYSA-N 303.274 1.795 5 50 DDBA CCCn1nnc(NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)n1 470574 HQRLEEFDJVULBB-UHFFFAOYSA-N 320.309 1.642 5 50 DDBA N[C@H]1CCCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 170091502 ACHOBVRRQFQBAF-GWCFXTLKSA-N 313.379 1.391 5 50 DDBA CN(CC(=O)O)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)CC1 191998842 QVSOFSCTFDPTCO-CQSZACIVSA-N 321.377 1.966 5 50 DDBA CNS(=O)(=O)c1ccc(N[C@H](C)C(C)(F)F)c([N+](=O)[O-])c1 585088407 GMPJKHJIGWVPKN-SSDOTTSWSA-N 323.321 1.959 5 50 DDBA O=[N+]([O-])c1ccc(N2CC[C@H](c3cc(O)nc(O)n3)C2)c(F)c1 585092524 BWBULFYXITXHID-QMMMGPOBSA-N 320.280 1.929 5 50 DDBA CN(C)CC1CN(c2c([N+](=O)[O-])c(=O)n(C)c3ccccc23)C1 585134836 LNJHCFLIHIBFDI-UHFFFAOYSA-N 316.361 1.445 5 50 DDBA COC(=O)c1ccc(/C=C\c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc1 16361893 JCLPNLRKWKRVDD-DAXSKMNVSA-N 317.257 1.341 5 50 DDBA O=C(Cn1cc([N+](=O)[O-])cn1)N1CCN(c2ccccc2)CC1 4811113 LLCADEANQOMVJJ-UHFFFAOYSA-N 315.333 1.140 5 50 DDBA CCn1ncc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1C 6556042 NEJGFHPQJPHUCS-UHFFFAOYSA-N 324.362 1.598 5 50 DDBA COc1cc(C(=O)NCC(=O)O)c([N+](=O)[O-])cc1OC(F)F 262647698 REJBYCGLONOEPL-UHFFFAOYSA-N 320.204 1.019 5 50 DDBA O=C(O)C1CCC(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 303378 OYSVLSUFXVYDTO-UHFFFAOYSA-N 318.285 1.834 5 50 DDBA O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1S(=O)(=O)O 4255672 IVFGXTYRSDHGSH-UHFFFAOYSA-N 316.169 1.769 5 50 DDBA O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1O 101033912 BBTPSLCJNDWLJS-VLIVSTDHSA-N 318.285 1.762 5 50 DDBA CC(C)[C@@H](C)NC(=O)CS(=O)(=O)c1cccc([N+](=O)[O-])c1 169863437 CKZSQIZHNWXQBC-SNVBAGLBSA-N 314.363 1.529 5 50 DDBA CCOC(=O)COc1ncc(Br)cc1[N+](=O)[O-] 5585673 UHIILDDDMFTHKM-UHFFFAOYSA-N 305.084 1.694 5 50 DDBA COc1ccc([N+](=O)[O-])c(CS(=O)(=O)c2ccccc2)n1 34184418 AGJNCJJCGARISW-UHFFFAOYSA-N 308.315 1.972 5 50 DDBA CC(C)C[C@@](C)(CN)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 155908899 GFLXPSWZBYTIRK-ZDUSSCGKSA-N 315.395 1.637 5 50 DDBA Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCc2ncnn2C1 133637625 LUWJARGTKBHZKC-JTQLQIEISA-N 316.321 1.631 5 50 DDBA Cc1nn(C)c(C)c1CNC(=O)c1ccc([N+](=O)[O-])cc1O 170083923 GJKUSRJZCHAVDG-UHFFFAOYSA-N 304.306 1.581 5 50 DDBA Cc1cc([N+](=O)[O-])c(C)cc1NS(=O)(=O)c1cn(C)nn1 1615572427 SYZNVLYDHMQKHT-UHFFFAOYSA-N 311.323 1.141 5 50 DDBA Cc1c(Br)c([N+](=O)[O-])nn1[C@@H](C)C(=O)NC(C)C 4810916 QJUQYKUPJLCYIR-ZETCQYMHSA-N 319.159 1.948 5 50 DDBA O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CC[C@H](N2CCCC2)C1 825615260 ORRXPRDLMPYAJL-LSDHHAIUSA-N 319.361 1.325 5 50 DDBA CC1=NN2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)N=C2SC1=O 4528671 HZLQTYYDDDYJNE-UXBLZVDNSA-N 316.298 1.783 5 50 DDBA COc1ccc([C@H](C)NC(=O)[C@@H]2CN[C@H](C)C2)cc1[N+](=O)[O-] 2325827941 UWPJVCZCRHWTPU-SCVCMEIPSA-N 307.350 1.779 5 50 DDBA CCn1ccc([C@@H](C)NC(=O)CCn2ncc([N+](=O)[O-])c2C)n1 2802776 LKPMADHRULNWQE-SNVBAGLBSA-N 320.353 1.584 5 50 DDBA CCOC(=O)c1cn[nH]c1NC(=O)Cc1ccccc1[N+](=O)[O-] 41418 REVXEPBOZLBURL-UHFFFAOYSA-N 318.289 1.676 5 50 DDBA CN1C=C(C(=O)NCC[N+]2(C)CCCCC2)C=CC1=CN=O 1857525062 BSJNNZPAMBTIOM-UHFFFAOYSA-O 305.402 1.726 5 50 DDBA COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](O)C1 4180806 AXOFBEPBTPWBAJ-SNVBAGLBSA-N 323.349 1.266 5 50 DDBA Cc1c([N+](=O)[O-])c(C(=O)Nc2cccc([N+](=O)[O-])c2)nn1C 2090050 OICQWSLJSDYKGM-UHFFFAOYSA-N 305.250 1.797 5 50 DDBA COC(=O)c1ccc([N+](=O)[O-])c(NCCc2cnc(C)o2)n1 1775991865 WPCHHUZDFLEUQK-UHFFFAOYSA-N 306.278 1.727 5 50 DDBA CCn1c(=O)c([N+](=O)[O-])c(N2CCOCC2)c2ccccc21 4264097 MRJYZJIUXASXQS-UHFFFAOYSA-N 303.318 1.766 5 50 DDBA CCOc1cc(NC(=O)CCS(C)(=O)=O)ccc1[N+](=O)[O-] 585125327 NXADTFXWQIZOBV-UHFFFAOYSA-N 316.335 1.367 5 50 DDBA COc1cc(N2C[C@@H](C(N)=O)CC[C@H]2C)c(F)cc1[N+](=O)[O-] 170604143 VYJDGMZIZAJEPO-BDAKNGLRSA-N 311.313 1.833 5 50 DDBA CCN(CC(OC)OC)c1nc(C(=O)OC)ccc1[N+](=O)[O-] 1616038774 URAQAXNEMICZJN-UHFFFAOYSA-N 313.310 1.222 5 50 DDBA COC(=O)c1ccc(NC(=O)[C@@H](C)n2cc([N+](=O)[O-])cn2)cc1 1421977 JPHSJXVFTYEXCI-SECBINFHSA-N 318.289 1.778 5 50 DDBA Cn1cc([N+](=O)[O-])c(C(=O)NC2CC(C)(C)NC(C)(C)C2)n1 2780266 MNAYNQQMRILHHG-UHFFFAOYSA-N 309.370 1.367 5 50 DDBA COC(=O)c1cccc([N+](=O)[O-])c1N1CCC[C@@H](C(N)=O)C1 585092757 MQKOTZQKGGOPMZ-SECBINFHSA-N 307.306 1.083 5 50 DDBA C[C@@H](O)CN1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 170613469 GERCMQIEIBWJAL-VXGBXAGGSA-N 322.365 1.514 5 50 DDBA COc1ccc(/C=C\c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)c(OC)c1 13482061 BELNZCVIGGNYAR-XQRVVYSFSA-N 319.273 1.571 5 50 DDBA O=C(c1cc([N+](=O)[O-])ccc1N1CCNCC1)N1CCCCC1 4998497 AQAXOQXSJIAVLY-UHFFFAOYSA-N 318.377 1.631 5 50 DDBA Cc1cc2c(cc1[N+](=O)[O-])N(S(=O)(=O)c1ccnn1C)CC2 360844115 CJPUJGHATBINHZ-UHFFFAOYSA-N 322.346 1.388 5 50 DDBA Cc1ccc([C@H](O)CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1 193245277 ICAIAZUXDBURAK-OAHLLOKOSA-N 315.329 1.949 5 50 DDBA NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 467030 DYYXPIUNUKZXGY-UHFFFAOYSA-N 311.725 1.586 5 50 DDBA CC(C)[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C1(CO)CCC1 408517747 RLUFMVTYDQPMMD-CYBMUJFWSA-N 310.354 1.095 5 50 DDBA CS(=O)(=O)N[C@@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1 170596353 DKAGDRRHRCEKRG-CHWSQXEVSA-N 313.379 1.867 5 50 DDBA CCOC1(c2nccn2C)CN(c2cnc([N+](=O)[O-])c(O)c2)C1 1776005363 IDKCOYSDPYHFLR-UHFFFAOYSA-N 319.321 1.181 5 50 DDBA CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CN2CCC1CC2 347949429 NFBDUQSPYGCLRN-OAHLLOKOSA-N 303.362 1.690 5 50 DDBA C[C@@H]1[C@H]2CCCN2CCN1Cc1cc2c(cc1[N+](=O)[O-])OCO2 16677800 VHQDOWQSZHIKJL-DGCLKSJQSA-N 319.361 1.992 5 50 DDBA NC1CC2(C1)CC(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C2 170091485 VZMDAAIYQAIUBQ-UHFFFAOYSA-N 311.363 1.143 5 50 DDBA Cc1ocnc1CN(C)[C@@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 1775990739 ZCVVVSQFXQHUGC-CYBMUJFWSA-N 317.349 1.997 5 50 DDBA CC(=O)N1N=C2C3CCN(CC3)[C@@H]2[C@H]1c1ccc([N+](=O)[O-])cc1 19791337 OMTQXFHLBYPEMY-CVEARBPZSA-N 314.345 1.948 5 50 DDBA biogenic Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1ncc([N+](=O)[O-])s1 12446615 FOYYPFKFJJNMQM-UHFFFAOYSA-N 312.267 1.103 5 50 DDBA CCC[C@H]1CNCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 440866018 VMRRSMKBXVMZCO-NSHDSACASA-N 313.379 1.357 5 50 DDBA O=[N+]([O-])c1ccc(N2CCN(CCO)CC2)c(C(F)(F)F)c1 19593901 OHMSXYDQVXWAHX-UHFFFAOYSA-N 319.283 1.728 5 50 DDBA COc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)c1cccn1C 4085427 KFGJLTZNBONMEV-UHFFFAOYSA-N 303.274 1.763 5 50 DDBA CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1O 252587392 XWYDDLVIRDDWFG-AAEUAGOBSA-N 319.361 1.999 5 50 DDBA CN(CCNc1ncc([N+](=O)[O-])c(N)n1)Cc1ccc(F)cc1 170652392 LGMPUPJENWXUAO-UHFFFAOYSA-N 320.328 1.650 5 50 DDBA O=[N+]([O-])c1cccc(OCCN2CCOC[C@@]23CCOC3)c1 193722700 IPFSIKNUABGYGP-HNNXBMFYSA-N 308.334 1.465 5 50 DDBA CO[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CC[C@@H]1C 170603476 CCZXTRATEUKDFX-SMDDNHRTSA-N 308.334 1.857 5 50 DDBA C[S@](=O)CCCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 110592496 ZCPKPILANHUOKV-OAQYLSRUSA-N 311.363 1.660 5 50 DDBA COc1ccc(CNC(=O)c2cc([N+](=O)[O-])cnc2O)cc1O 225512136 RRPFOCPUSYNKBC-UHFFFAOYSA-N 319.273 1.340 5 50 DDBA COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCCC1 30493469 JBAUDXCHHCCWOE-UHFFFAOYSA-N 300.336 1.778 5 50 DDBA COc1cc(N2C[C@@H](N3CCOCC3)[C@H](C)C2)ccc1[N+](=O)[O-] 267515369 DBCVWHNGRMIFCA-IUODEOHRSA-N 321.377 1.760 5 50 DDBA C=CC(=O)N(CC)CC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 1119531676 AWRCFAOPZCHIPP-UHFFFAOYSA-N 303.318 1.472 5 50 DDBA O=[N+]([O-])c1cc([N+](=O)[O-])c2ccc(S(=O)(=O)O)cc2c1O 1673026 FCQJEPASRCXVCB-UHFFFAOYSA-N 314.231 1.609 5 50 DDBA in-vitro CCC(=O)/N=c1\sc([N+](=O)[O-])cn1CC(=O)N(CC)CC 71767298 UJIAJVXYCFTPLC-SEYXRHQNSA-N 314.367 1.164 5 50 DDBA COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1cnn[nH]1 267312403 DJERVJZGSLZJAX-ZETCQYMHSA-N 323.334 1.841 5 50 DDBA COC(=O)c1ccc(I)c([N+](=O)[O-])c1 1678315 SCMBIQRYVKITCY-UHFFFAOYSA-N 307.043 1.986 5 50 DDBA in-vitro CCOc1cccc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)c1 9010336 ARLKTUFRDPLKBR-VOTSOKGWSA-N 303.274 1.953 5 50 DDBA CCOC(=O)c1ccc(NC(=O)c2c([N+](=O)[O-])cnn2C)cc1 290982 PKGOIUFDIOWLPB-UHFFFAOYSA-N 318.289 1.757 5 50 DDBA O=C(O)CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1732840 RDDDCNAVGLYHTA-UHFFFAOYSA-N 306.274 1.836 5 50 DDBA C[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12 239309406 HOTHFYFSLVLRHY-FJJYHAOUSA-N 300.270 1.428 5 50 DDBA COC(=O)[C@@H]1C[C@@H](O)CN1c1ccc(Cl)cc1[N+](=O)[O-] 302808891 YBJJIBFPJLGYKT-KCJUWKMLSA-N 300.698 1.361 5 50 DDBA c1ccc2c(OC[C@@H]3C[N+]45CCO[B-]4(OCC5)O3)cccc2c1 195811377 VWDIAXNBTXCLIZ-MNNVXMFVSA-N 313.162 1.930 5 50 DDBA Cc1cc([N+](=O)[O-])ncc1C(=O)NC[C@]1(F)C[C@@H](C(=O)O)C1 2325826759 LUEVFXMHKPBYJZ-KTLJEJPDSA-N 311.269 1.231 5 50 DDBA C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(O)nn1 361967175 RJTQAQWYWUSGBH-MRVPVSSYSA-N 320.330 2.210 5 50 DDBA C[C@H]1CN(C[C@@H](C)O)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 170613471 GERCMQIEIBWJAL-NWDGAFQWSA-N 322.365 1.514 5 50 DDBA CC(=O)Nc1nc(/C=C/c2ccccc2)c([N+](=O)[O-])c(=O)[nH]1 6186224 QLBNKEUTVROJEK-BQYQJAHWSA-N 300.274 1.807 5 50 DDBA COC(=O)c1cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc([N+](=O)[O-])c1 29067 XSQWJUBJSXANTN-NXEZZACHSA-N 322.317 1.631 5 50 DDBA NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 4741004 BQDUHOLSXFFJIJ-UHFFFAOYSA-N 318.255 1.814 5 50 DDBA O=C(NCCCn1ccnc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 6974265 SRYKEFARPKEPSZ-UHFFFAOYSA-N 319.277 1.520 5 50 DDBA Cc1c([N+](=O)[O-])c(C(=O)NC2CC(C)(C)NC(C)(C)C2)nn1C 2778434 QYBXHJZDAVNQRQ-UHFFFAOYSA-N 323.397 1.676 5 50 DDBA O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC=C(c2ccncc2)C1 286189865 KCTDXADCQKZFGF-UHFFFAOYSA-N 313.317 1.502 5 50 DDBA COc1ccc(CC(=O)OCCn2c([N+](=O)[O-])cnc2C)nc1 239367101 AHJWPAIHBOROQW-UHFFFAOYSA-N 320.305 1.289 5 50 DDBA Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCOCC12CCCC2 170605183 FQEURHBFWLJUDX-UHFFFAOYSA-N 305.334 1.962 5 50 DDBA COc1ccc([C@H](C)NC(=O)[C@H]2CN[C@@H](C)C2)cc1[N+](=O)[O-] 2325827938 UWPJVCZCRHWTPU-JBLDHEPKSA-N 307.350 1.779 5 50 DDBA Cc1cnc(OC2CCN(c3c([N+](=O)[O-])ncn3C)CC2)nc1 594592501 YDRNMAKOUUUWSI-UHFFFAOYSA-N 318.337 1.475 5 50 DDBA O=C(NC[C@H]1CCCO1)c1cc2cc([N+](=O)[O-])ccc2oc1=O 110637 IIJNGVJEDUBHGK-LLVKDONJSA-N 318.285 1.610 5 50 DDBA CN(/C=C/c1c([N+](=O)[O-])c(=O)n(C)c(=O)n1C)c1ccccc1 297702 KNVQNQAFOUPPOF-MDZDMXLPSA-N 316.317 1.099 5 50 DDBA CC(=O)N1N=C2C3CCN(CC3)[C@H]2[C@H]1c1ccc([N+](=O)[O-])cc1 19791338 OMTQXFHLBYPEMY-HZPDHXFCSA-N 314.345 1.948 5 50 DDBA biogenic CC1(C)SC[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)N1C=O 77946 HERXHCFVWWCADX-NSHDSACASA-N 309.347 1.843 5 50 DDBA Cc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)c([N+](=O)[O-])c1 101356562 GDYKLRVZRPIDKJ-NDBYEHHHSA-N 300.270 1.346 5 50 DDBA Nc1nc(C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)ccc1[N+](=O)[O-] 170594331 DADBRCWNHVSPHP-PWSUYJOCSA-N 316.292 1.997 5 50 DDBA COc1cc(C(=O)NC[C@H]2CCCO2)c([N+](=O)[O-])cc1OC 263437 XXSWHHRXLZLPDA-SECBINFHSA-N 310.306 1.521 5 50 DDBA O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CC[C@@H]2OCCC[C@H]2C1 119274042 NQJHRROJZZGTAJ-FZMZJTMJSA-N 306.318 1.942 5 50 DDBA C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[S@@]1=O 252484125 FPDQMMYELPXMOZ-CWKPULSASA-N 311.363 1.970 5 50 DDBA O=C1Nc2ccc([N+](=O)[O-])cc2O[C@@H]1CCN1CCOCC1 12958799 RTIGEQWOXHPYPG-GFCCVEGCSA-N 307.306 1.017 5 50 DDBA O=[N+]([O-])c1ccc(CN2CCC[C@H](CN3CC[C@@H](O)C3)C2)cc1 585133206 ASUHABSOCMBFGM-DOTOQJQBSA-N 319.405 1.873 5 50 DDBA C[N+](C)(N)CCOC(=O)[C@](O)(c1ccccc1)C1CCCCC1 2024183 PBWNPYFNHVVNPW-SFHVURJKSA-N 321.441 1.948 5 50 DDBA COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@H]3O2)c([N+](=O)[O-])c1 101359957 YALSXDFXEYVAAF-FDYHWXHSSA-N 316.269 1.046 5 50 DDBA COC(=O)C[C@@H]1CCCN1C(=O)c1cc(C)cc([N+](=O)[O-])c1N 179144326 GLBAXFPSUADFKQ-JTQLQIEISA-N 321.333 1.653 5 50 DDBA Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](n2cccn2)C1 170597842 NFYSWRILUJKQIB-GFCCVEGCSA-N 315.333 1.851 5 50 DDBA CNc1ccc(C(=O)N[C@@H]2CCN3CCCC[C@@H]23)cc1[N+](=O)[O-] 229400205 YWRWDGPMZJUEIH-KGLIPLIRSA-N 318.377 1.993 5 50 DDBA N[C@@H]1CCCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 170091511 ACHOBVRRQFQBAF-ZWNOBZJWSA-N 313.379 1.391 5 50 DDBA Cc1ncc([N+](=O)[O-])n1CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O 71770714 SIUSNGSTZSJBRN-GHMZBOCLSA-N 306.322 1.275 5 50 DDBA O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@H](CO)[C@H](O)C1 170091029 MQIKRCTVGFTIAB-PRHODGIISA-N 320.267 1.793 5 50 DDBA O=C(NC(=S)NC[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 315735 TVOXCYWLEYMHQF-NSHDSACASA-N 309.347 1.378 5 50 DDBA O=[N+]([O-])c1ccc(COn2nnc3ccc([N+](=O)[O-])cc32)cc1 3669500 MBUDJLWDMFYKBE-UHFFFAOYSA-N 315.245 1.877 5 50 DDBA COc1ccc([N+](=O)[O-])cc1NC(=O)CCNC(C)(C)CO 844258315 ZQXUZQQFLSBTNB-UHFFFAOYSA-N 311.338 1.293 5 50 DDBA Cn1nc([N+](=O)[O-])nc1Sc1nnc(-c2cccnc2)o1 2857346 DGACIFQYIJPYQV-UHFFFAOYSA-N 305.279 1.320 5 50 DDBA COc1cc(OC)cc(C(=O)NCCn2cc([N+](=O)[O-])cn2)c1 2799683 LEWWZTSQWUAVRQ-UHFFFAOYSA-N 320.305 1.239 5 50 DDBA Cc1ncc([N+](=O)[O-])n1CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O 101362075 SIUSNGSTZSJBRN-QWRGUYRKSA-N 306.322 1.275 5 50 DDBA CCN(c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-])[C@@H]1CCOC1 328593987 GHMQQDQPWUJAGQ-SNVBAGLBSA-N 309.322 1.700 5 50 DDBA O=C(c1cccc([N+](=O)[O-])c1O)N(C[C@H]1CCOC1)C1CC1 132117995 MCSWGVPHWRGUTH-SNVBAGLBSA-N 306.318 1.942 5 50 DDBA CC(=O)c1ccc(NC[C@H]2CN3CCCN2CC3)c([N+](=O)[O-])c1 1615599513 SBWSBOQFOKLJEP-AWEZNQCLSA-N 318.377 1.599 5 50 DDBA COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nncn1C 1071893 NCUJJPQJUFRVCU-UHFFFAOYSA-N 323.334 1.463 5 50 DDBA O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)c1cc([N+](=O)[O-])ccc1O 157085921 KIWOBGGOKURTFZ-QMTHXVAHSA-N 306.318 1.988 5 50 DDBA CC(C)c1[nH]nc(C(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@@H]4O)c1[N+](=O)[O-] 408428376 CXHGYAOHXUHXHF-JDKKQMGGSA-N 320.349 1.283 5 50 DDBA O=C(c1ccccn1)N1CC[C@@H](Nc2ncc([N+](=O)[O-])s2)C1 192492038 TWGLAFBRJPLQFZ-SECBINFHSA-N 319.346 1.773 5 50 DDBA Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)c1nc(=O)[nH][nH]1 170088538 XHQKWJGEBBHJRZ-VIFPVBQESA-N 319.321 1.422 5 50 DDBA CCn1cc(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cn1 188558801 BJXGHAWYJMMCBC-UHFFFAOYSA-N 316.317 1.715 5 50 DDBA NC(=O)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 289245 PQNDLWXQARXOJR-UHFFFAOYSA-N 321.314 1.495 5 50 DDBA CCOc1cc(Cn2nc3ccccn3c2=O)ccc1[N+](=O)[O-] 408514600 ONXOWPKYVDJWEC-UHFFFAOYSA-N 314.301 1.851 5 50 DDBA O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCN2CCCC[C@@H]12 229724700 ZCLZHUCGMCWEDK-CABCVRRESA-N 303.362 1.880 5 50 DDBA Cc1nn(C)c(N[C@@H]2CN(c3ccc(F)cc3)C2=O)c1[N+](=O)[O-] 253426536 RUQTXYNGBGMAAH-LLVKDONJSA-N 319.296 1.603 5 50 DDBA O=C(CN1CCOCC1)Nc1nc2ccc([N+](=O)[O-])cc2s1 19853559 UHIUSKATQDRPGM-UHFFFAOYSA-N 322.346 1.475 5 50 DDBA Cc1nn(CC(=O)Nc2ccc3c(c2)OCO3)c(C)c1[N+](=O)[O-] 325720 ZKBOLWPLWXUMBX-UHFFFAOYSA-N 318.289 1.776 5 50 DDBA CC(C)C[C@H](CN)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 111829892 UMLNBBVKUMSHIS-SNVBAGLBSA-N 301.368 1.247 5 50 DDBA O=[N+]([O-])c1cccnc1N1CCN(c2cncc(F)c2)CC1 585092192 ITPFKCSJHQLUKI-UHFFFAOYSA-N 303.297 1.851 5 50 DDBA O=C(O)CS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1149869 ZJFDGCCATHSCKB-UHFFFAOYSA-N 313.209 1.472 5 50 DDBA O=C(O)[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 3864746 CHGFLZJPAZABLC-LLVKDONJSA-N 314.319 1.223 5 50 DDBA Cc1cc(C)n(CCCNC(=O)[C@H](C)n2cc([N+](=O)[O-])cn2)n1 2785535 ONLCQITXCCYWIJ-LBPRGKRZSA-N 320.353 1.372 5 50 DDBA COc1cc(/C=C2/SC(=O)NC2=O)c([N+](=O)[O-])cc1OC 1064628 CGJCOEZNHJSMEG-ONNFQVAWSA-N 310.287 1.936 5 50 DDBA C[C@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc2c(c1)OCO2 374454 PKZAGUYBZMMVSE-QMMMGPOBSA-N 318.289 1.548 5 50 DDBA CCCc1[nH]nc(C(=O)N[C@H](C)C2CCN(C)CC2)c1[N+](=O)[O-] 609994318 PQVALZJTPCXAML-SNVBAGLBSA-N 323.397 1.731 5 50 DDBA Cc1nn(C)cc1CN(C)C(=O)CCn1cc([N+](=O)[O-])c(C)n1 2779300 XSAFSLAPCAZYKW-UHFFFAOYSA-N 320.353 1.190 5 50 DDBA Cc1cc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)ccc1[N+](=O)[O-] 239402787 RDDVIYKELNKEAQ-FDYHWXHSSA-N 302.286 1.570 5 50 DDBA Nc1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])s1 4713644 FHVVTGNJQKKQKX-UHFFFAOYSA-N 311.348 1.759 5 50 DDBA Cc1cc(NC(=O)[C@H](C)Cn2nc(C)c([N+](=O)[O-])c2C)no1 2791573 YOEHAKVMWDHTHL-SSDOTTSWSA-N 307.310 1.979 5 50 DDBA CC1(C)CCC[C@]1(CO)NC(=O)CCn1cc([N+](=O)[O-])cn1 1875276254 QJXMBWWLMQWVPW-CQSZACIVSA-N 310.354 1.239 5 50 DDBA C/C(=N\NC(=O)C1=CC[C@H]([N+](=O)[O-])C=C1)c1ccc(N)cc1 4947949 JHKRPAURHADAPZ-NGWPFTMJSA-N 300.318 1.641 5 50 DDBA C[C@H](O)CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br 127839199 RTDIHNRIRQZLPN-ZETCQYMHSA-N 317.139 1.397 5 50 DDBA O=C(CN1CCC2(CC1)OCCO2)Nc1ccc([N+](=O)[O-])cc1 17055672 NTNWZTYPYXKNLL-UHFFFAOYSA-N 321.333 1.372 5 50 DDBA C[C@H](N)C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 110647993 ZHBPRMILMBWXSN-JTQLQIEISA-N 313.379 1.343 5 50 DDBA COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 101357918 ONVNFFHNCFENJI-QYAIJTBZSA-N 314.297 1.915 5 50 DDBA O=C(Cn1cc([N+](=O)[O-])cn1)NCCCSc1ccccn1 408516684 OCTMGNXCXVCOPK-UHFFFAOYSA-N 321.362 1.485 5 50 DDBA CNc1c(C(=O)Oc2cccc(C(N)=O)c2)cccc1[N+](=O)[O-] 170596457 XWWQMAKFJSAWOB-UHFFFAOYSA-N 315.285 1.955 5 50 DDBA Nc1ccc(C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 13578794 TXYKSSFKGGQKQR-UHFFFAOYSA-N 315.285 1.973 5 50 DDBA COC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cccc([N+](=O)[O-])c1 65634 KLYPXVWAKFQJOO-LLVKDONJSA-N 316.277 1.043 5 50 DDBA Cc1cc(O)nc([C@@H](C)N2CCc3ncc([N+](=O)[O-])cc3C2)n1 225726625 KPGPOSKJSGPMAK-SNVBAGLBSA-N 315.333 1.913 5 50 DDBA CO[C@@H](CO)CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 1875319942 ZHFMGRGGYJDPTM-SNVBAGLBSA-N 310.331 1.547 5 50 DDBA COC[C@@]1(CNc2ncc([N+](=O)[O-])cc2Cl)CCCN1 261696765 IBGONLGZGNOGMT-LBPRGKRZSA-N 300.746 1.824 5 50 DDBA COc1cc(/C=C/C(=O)OCC[N+](C)(C)C)cc(OC)c1O 1532786 HUJXHFRXWWGYQH-UHFFFAOYSA-O 310.370 1.672 5 50 DDBA endogenous,in-man O=[N+]([O-])c1nn(-c2ccccc2)[n+]([O-])c1N1CCCCCC1 4808468 DKOQWLZWNFTSNX-UHFFFAOYSA-N 303.322 1.794 5 50 DDBA Cc1ccc(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)nn1 194969943 JPKQTQOWQYCUMG-UHFFFAOYSA-N 322.346 1.827 5 50 DDBA CC(=O)Nc1ccc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc1 17112483 AXBLCMYOGIURAR-QPJJXVBHSA-N 316.273 1.513 5 50 DDBA O=[N+]([O-])c1ccc(N2C[C@@H](CO)C[C@@H]2CO)cc1OC(F)F 1875289542 ZUTICRNEDKMGIW-WCBMZHEXSA-N 318.276 1.376 5 50 DDBA Cc1nc(N2CCC(C)CC2)nc(N2CCOCC2)c1[N+](=O)[O-] 4951804 HIXIESGGNDYOHM-UHFFFAOYSA-N 321.381 1.766 5 50 DDBA Cc1cc(S(=O)(=O)N(C)c2ccn(C)n2)c([N+](=O)[O-])s1 585115765 REJGGEFTAQKSKD-UHFFFAOYSA-N 316.364 1.523 5 50 DDBA CCN1C[C@@]2([N+](=O)[O-])C[C@]([N+](=O)[O-])(CC=C2Br)C1 15686638 OJQBUOCBEAZJQY-ZJUUUORDSA-N 320.143 1.426 5 50 DDBA Cc1ccc([N+](=O)[O-])cc1NC(=O)Cn1ccc([N+](=O)[O-])n1 2742809 VPKCCCQQMBNVLG-UHFFFAOYSA-N 305.250 1.647 5 50 DDBA N[C@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc([N+](=O)[O-])cc1 377358926 QFQIRCFNWKEDPP-WLLOZRIZSA-N 311.363 1.238 5 50 DDBA CC(C)C[C@@H]1C(=O)NCCN1C(=O)c1cc([N+](=O)[O-])ccc1F 408514292 DHQVTROHBCSNFV-CYBMUJFWSA-N 323.324 1.721 5 50 DDBA CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CN(C2CC2)CCO1 192575503 FDAOYEYMQHQFJB-LBPRGKRZSA-N 309.370 1.395 5 50 DDBA C[C@@H]1CC[C@@H](C)N1[C@H]1CCC[N+]2(CCS(=O)(=O)CC2)C1 1614423167 IVQXKRAHXLDWPW-KFWWJZLASA-N 301.476 1.267 5 50 DDBA C[C@H]1[C@H]2CCCN2CCN1Cc1cc2c(cc1[N+](=O)[O-])OCO2 16677801 VHQDOWQSZHIKJL-WCQYABFASA-N 319.361 1.992 5 50 DDBA O=[N+]([O-])c1cc[n+]([O-])cc1N1CCN(CC2CCCCC2)CC1 328598779 OLGIRHRZFJMJAR-UHFFFAOYSA-N 320.393 1.931 5 50 DDBA COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCOCC1 19851459 DMELNXGLOGXPSK-UHFFFAOYSA-N 309.322 1.264 5 50 DDBA C[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 4832550 WGQIDENZQJCDIA-BLTAXRJOSA-N 300.270 1.428 5 50 DDBA COCC[C@H](CO)NC(=O)Nc1cc([N+](=O)[O-])ccc1OC 253424307 DGDBXSMBNHFCGF-SECBINFHSA-N 313.310 1.122 5 50 DDBA C[C@@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H](C)O1 183396 VKRZEOJRZIZNJT-NXEZZACHSA-N 300.336 1.393 5 50 DDBA CCOC(=O)[C@@H](NC(=O)CC)[C@H](O)c1cccc([N+](=O)[O-])c1 2907547 NOSQYOWEBITMLS-QWHCGFSZSA-N 310.306 1.086 5 50 DDBA C[N+]1(C)[C@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@H]12 100036756 LZCOQTDXKCNBEE-XAJHFOFHSA-N 318.393 1.063 5 50 DDBA fda Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)n1cccn1 1069569 LTDQUIKPYLMJBD-UHFFFAOYSA-N 314.099 1.399 5 50 DDBA COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 195123 PAGLXUNRBQKWFL-LBPRGKRZSA-N 305.290 1.738 5 50 DDBA CC1(C)CC(NC(=O)CCn2cc([N+](=O)[O-])cn2)CC(C)(C)N1 2781388 NPLRBSVYVLHMIP-UHFFFAOYSA-N 323.397 1.607 5 50 DDBA COC(OC)(OC)c1cc(Br)cc([N+](=O)[O-])c1N 606241588 AMUBJFHIUKWQBB-UHFFFAOYSA-N 321.127 1.989 5 50 DDBA CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCn1ccnc1 170604889 QBRQDATUNFHELY-UHFFFAOYSA-N 310.335 1.307 5 50 DDBA CC1(C)CCN(c2ncc([N+](=O)[O-])s2)CCS1(=O)=O 192552915 QSSOROOCLHILCT-UHFFFAOYSA-N 305.381 1.455 5 50 DDBA O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCCC1 4881903 NLZGQCFRDZUTBP-UHFFFAOYSA-N 305.334 1.667 5 50 DDBA COc1ccc(NC(=O)N2CCC[C@H]2C(=O)O)cc1[N+](=O)[O-] 225573766 VPVLAASYDVYQOM-VIFPVBQESA-N 309.278 1.684 5 50 DDBA COc1cc(N2C[C@H](C(N)=O)CC[C@@H]2C)c(F)cc1[N+](=O)[O-] 170604146 VYJDGMZIZAJEPO-DTWKUNHWSA-N 311.313 1.833 5 50 DDBA CC1(C)[C@@H](Nc2ncccc2[N+](=O)[O-])C[C@H]1N1CCOCC1 585092113 FVRSDXSJMFNAEH-QWHCGFSZSA-N 306.366 1.901 5 50 DDBA Cc1nc([N+](=O)[O-])cn1CCC(=O)OC[C@@H]1[C@@H](C)C1(F)F 1875287254 BAJHCBNTCHTMHO-VXNVDRBHSA-N 303.265 1.934 5 50 DDBA O=[N+]([O-])c1ccn(CCN2CCC[C@H]2[C@@H](O)C(F)(F)F)n1 222083822 OGVCAEKPJCWQJN-WCBMZHEXSA-N 308.260 1.179 5 50 DDBA O=C(NCCN1CCOCC1)c1cc(Cl)ccc1[N+](=O)[O-] 19827806 FGRJZZXQYBOLRT-UHFFFAOYSA-N 313.741 1.310 5 50 DDBA CC(C)(CNC(=O)CCn1cc([N+](=O)[O-])cn1)N1CCCC1 1615574842 FUPBQRITTCQDLF-UHFFFAOYSA-N 309.370 1.172 5 50 DDBA COc1ccc(NC(=O)CSc2n[nH]c(N)n2)c([N+](=O)[O-])c1 12648477 SQZQYPBWLGVPEK-UHFFFAOYSA-N 324.322 1.035 5 50 DDBA C[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 169616397 HOTHFYFSLVLRHY-ZAZJYDDPSA-N 300.270 1.428 5 50 DDBA CCc1ccc(NC(=O)Cn2cc([N+](=O)[O-])c(C(N)=O)n2)cc1 1432611 XQGUPHSQEVPNDJ-UHFFFAOYSA-N 317.305 1.091 5 50 DDBA O=C(N[C@@H]1CCO[C@H](C2CC2)C1)c1ccc(O)c([N+](=O)[O-])c1 157189193 CQADNTWGSVTSJQ-RISCZKNCSA-N 306.318 1.988 5 50 DDBA Cc1ccc([C@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])N(C)C)cc1 170617939 IYHPRBVUOFZLMU-ZDUSSCGKSA-N 317.349 1.659 5 50 DDBA O=[N+]([O-])c1cnn(-c2ccc(Br)cc2[N+](=O)[O-])n1 4951651 QDDXWTIADYFVSP-UHFFFAOYSA-N 314.055 1.846 5 50 DDBA O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C2CCOCC2)CC1 175830812 VCDDMMOROGKSIJ-UHFFFAOYSA-N 319.361 1.532 5 50 DDBA Cc1ccnc(N2CCC[C@H](c3nnc(N)o3)C2)c1[N+](=O)[O-] 585092829 PNZKKYHJFPQUSV-VIFPVBQESA-N 304.310 1.647 5 50 DDBA CCO[C@@H]1C[C@@H](N(C)c2ncc([N+](=O)[O-])c(N)n2)C12CCC2 154909119 PHJMUSPBRAGJTQ-GHMZBOCLSA-N 307.354 1.751 5 50 DDBA CNC(=O)CN1CCC(Nc2cccc(OC)c2[N+](=O)[O-])CC1 185171319 NYRYDLNBBCAFSA-UHFFFAOYSA-N 322.365 1.226 5 50 DDBA COCCOCCN1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 585090468 QCCLDTYUBOOVSP-UHFFFAOYSA-N 323.393 1.688 5 50 DDBA COC(=O)c1cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc([N+](=O)[O-])c1 29068 XSQWJUBJSXANTN-UWVGGRQHSA-N 322.317 1.631 5 50 DDBA O=[N+]([O-])c1cc([N+](=O)[O-])c(-n2ccnc2)nc1-n1ccnc1 2896201 JRDSZGXHNFTIOO-UHFFFAOYSA-N 301.222 1.269 5 50 DDBA COc1ccccc1NNS(=O)(=O)c1cccc([N+](=O)[O-])c1 4582418 QXCSZPJIHZWJHS-UHFFFAOYSA-N 323.330 1.909 5 50 DDBA O=C(NCc1ccc2c(c1)OCO2)c1n[nH]c([N+](=O)[O-])c1Cl 5642451 QLYOIJJLXFBIJM-UHFFFAOYSA-N 324.680 1.630 5 50 DDBA CCC(=O)Nc1cc(SC[C@H](O)CO)cc([N+](=O)[O-])c1 2760685 YFLCQNSFXRWXDO-SNVBAGLBSA-N 300.336 1.389 5 50 DDBA CCn1nc(C)c([N+](=O)[O-])c1N1CCO[C@@H](COCC2CC2)C1 253431229 QUBYEGCXTAVZHN-CYBMUJFWSA-N 324.381 1.751 5 50 DDBA CC(C)(C)OC(=O)CN(CC1CC1)c1ncc([N+](=O)[O-])c(N)n1 585090495 VPLACPKAHUQYKN-UHFFFAOYSA-N 323.353 1.525 5 50 DDBA O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2 527778 UHCXMHUYYNWACA-WDAHDJQVSA-N 302.286 1.731 5 50 DDBA O=C(c1ccccc1[N+](=O)[O-])N1N=CC[C@@]1(O)C(F)(F)F 6926860 KPRUUWSHMRWDLC-SNVBAGLBSA-N 303.196 1.677 5 50 DDBA COC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H]2C[C@@H]2[C@H]1C(=O)O 242575038 NPNZWNCDQBAUAE-DXBFQKDVSA-N 306.274 1.291 5 50 DDBA O=C1N[C@@]2(C(=O)NCc3ccccc3[N+](=O)[O-])C[C@H]3C[C@@H]1[C@H]2C3 593032464 XKOHSBLEFVFYCR-YVYGNJPRSA-N 315.329 1.126 5 50 DDBA O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CC[C@@H](N2CCCC2)C1 825615257 ORRXPRDLMPYAJL-CABCVRRESA-N 319.361 1.325 5 50 DDBA O=[N+]([O-])c1c(N[C@H](CO)CC2OCCO2)ccc2ncccc12 952991946 FONUGSVNVIRFON-JTQLQIEISA-N 319.317 1.679 5 50 DDBA COc1ccccc1CNC(=O)Cn1nc(C)c([N+](=O)[O-])c1C 370991 KCTPIFWGKISMHY-UHFFFAOYSA-N 318.333 1.733 5 50 DDBA O=C(Nn1cnnc1)c1cccc2c(=O)c3ccccc3[nH]c12 67787287 ZEBVYROATGDYFT-UHFFFAOYSA-N 305.297 1.657 5 50 DDBA C[C@@]12C=C[C@@](C)(O1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 101356607 KSFCXQHZDYXHJQ-GVAFMPQTSA-N 314.297 1.818 5 50 DDBA Cn1c(C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)ccc1[N+](=O)[O-] 408086400 IRQNNBKZMLYFFZ-QMTHXVAHSA-N 309.322 1.001 5 50 DDBA CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1O 170599185 XWYDDLVIRDDWFG-WCQYABFASA-N 319.361 1.999 5 50 DDBA NC(=O)c1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1 116335 SARDUNZEHAUSFV-UHFFFAOYSA-N 315.285 1.711 5 50 DDBA COC(=O)c1nn2cc(-c3n[nH]cc3[N+](=O)[O-])cnc2c1Cl 32049 PEOGEDGQAUZFJE-UHFFFAOYSA-N 322.668 1.468 5 50 DDBA COc1cc(C(=O)N2C[C@H](C)O[C@H](C)C2)c([N+](=O)[O-])cc1OC 13154534 DWSSNYADLJAVDO-AOOOYVTPSA-N 324.333 1.861 5 50 DDBA COC(=O)c1cc([N+](=O)[O-])ccc1N1CCN2CCC[C@H]2C1 247821517 IEXGRVIRSZSVAW-LBPRGKRZSA-N 305.334 1.666 5 50 DDBA O=C(Cn1nnc(-c2ccccc2)n1)Nc1ccccc1[N+](=O)[O-] 4976601 PMCHYTXWHGGJJI-UHFFFAOYSA-N 324.300 1.887 5 50 DDBA CCC(N)(CC)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 133489317 ZMRZLDGYVAGHAF-UHFFFAOYSA-N 301.368 1.391 5 50 DDBA Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1CC(=O)N=C(N)S1 4352471 AOYMLOSSSDVOHK-VIFPVBQESA-N 308.319 1.189 5 50 DDBA biogenic CCOC(=O)c1cc(C(=O)Nc2ccc([N+](=O)[O-])cn2)nn1C 6392491 BUAXVDKJNKMGPE-UHFFFAOYSA-N 319.277 1.152 5 50 DDBA CCS(=O)(=O)CCn1ccnc1-c1ccc([N+](=O)[O-])cc1 174741999 NGIPEKCEAYQKBD-UHFFFAOYSA-N 309.347 1.893 5 50 DDBA NC(=O)c1sc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[n+]1[O-] 2577648 FHFLXKUKCSDMLD-UHFFFAOYSA-N 307.209 1.561 5 50 DDBA in-vitro CO[C@@H](C)CS(=O)(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C 585129102 XXZOHLAJSCUPRV-ZJUUUORDSA-N 314.363 1.711 5 50 DDBA CCN(C)C(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc12 585090370 GNMVYPIJDLGTAE-UHFFFAOYSA-N 318.337 1.611 5 50 DDBA CON(C[C@@H]1CCOC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 888096921 VWEPNOUKCGUOAD-JTQLQIEISA-N 316.335 1.183 5 50 DDBA O=C(Cn1cncc1-c1ccc([N+](=O)[O-])cc1)N1CCOCC1 36238 UHYOSOJISIMHPI-UHFFFAOYSA-N 316.317 1.317 5 50 DDBA Cc1cc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)ccc1[N+](=O)[O-] 223974591 RDDVIYKELNKEAQ-LPWJVIDDSA-N 302.286 1.570 5 50 DDBA Cc1cc(C)n(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 170608276 LBOKFRVKEUDZQJ-UHFFFAOYSA-N 309.347 1.882 5 50 DDBA NC(=O)[C@]1(O)CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 170606545 UIXCZZPTXOSCMK-NSHDSACASA-N 319.239 1.040 5 50 DDBA CC(C)S(=O)(=O)CCC[S@@](=O)c1cccc([N+](=O)[O-])c1 585138063 LUGOPVWWLDWXNV-LJQANCHMSA-N 319.404 1.916 5 50 DDBA COC(=O)c1ccccc1NC(=O)Cn1cnc([N+](=O)[O-])c1 336293 IQGZXGNLXOQAFX-UHFFFAOYSA-N 304.262 1.217 5 50 DDBA CC1CCN([C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)CC1 20638904 WABUIDUMJSTNED-CQSZACIVSA-N 317.345 1.959 5 50 DDBA Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCC[C@H]1C(=O)O 158338216 NQYZDJIZPQJESQ-ZDUSSCGKSA-N 321.333 1.781 5 50 DDBA CN1C=C(C(=O)NCCCCC[N+](C)(C)C)C=CC1=CN=O 1857524714 IMORNGWAKYFODX-UHFFFAOYSA-O 307.418 1.972 5 50 DDBA C[C@H]1CC[C@@H](C)N1[C@@H]1CCC[N+]2(CCS(=O)(=O)CC2)C1 1614423168 IVQXKRAHXLDWPW-QLFBSQMISA-N 301.476 1.267 5 50 DDBA COCCOCCNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl 294818421 KEDXYSZMHAUIEE-UHFFFAOYSA-N 316.741 1.949 5 50 DDBA C[C@H]1C[C@@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)CCO1 271643941 YRUCMHNMICMPDL-RYUDHWBXSA-N 308.334 1.905 5 50 DDBA COc1ccc(CNC(=O)Cn2ccc([N+](=O)[O-])n2)cc1OC 1432154 DOBVTZHMZNOBKA-UHFFFAOYSA-N 320.305 1.125 5 50 DDBA NC(=O)COc1ccc(CCNc2ncc([N+](=O)[O-])s2)cc1 252495029 OLENIYXOZDKYEK-UHFFFAOYSA-N 322.346 1.570 5 50 DDBA Cc1nn(CC(=O)Nc2ccc(C(=O)O)cc2)c(C)c1[N+](=O)[O-] 2767513 UKWLVGQTSDHDTF-UHFFFAOYSA-N 318.289 1.745 5 50 DDBA CCOCCOc1cccc([N+](=O)[O-])c1NS(C)(=O)=O 3997651 ABYJKACWFVHSCY-UHFFFAOYSA-N 304.324 1.382 5 50 DDBA Cn1ccnc1C1(O)CCN(c2ccc([N+](=O)[O-])cc2F)CC1 952991991 HGWDIFDNXOSMJP-UHFFFAOYSA-N 320.324 1.955 5 50 DDBA COc1cc(C(C)=O)ccc1Oc1ncnc(N)c1[N+](=O)[O-] 3912715 WVQVFUMKQJMKEY-UHFFFAOYSA-N 304.262 1.971 5 50 DDBA COc1ccc(NC(=O)CCC(=O)N2CCCC2)c([N+](=O)[O-])c1 6690943 DRMQCLMIOMYMMU-UHFFFAOYSA-N 321.333 1.945 5 50 DDBA CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 100070946 ZWSFKZZEYGSZRO-GFCCVEGCSA-N 305.290 1.786 5 50 DDBA Cc1c(CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cnn1C 14250005 XNBKPWYUIYEOCP-UHFFFAOYSA-N 324.362 1.457 5 50 DDBA COc1cc([N+](=O)[O-])ccc1NC(=O)NC1CCN(C)CC1 5060283 JZVZEDNBFGDZIV-UHFFFAOYSA-N 308.338 1.819 5 50 DDBA O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CC[C@H](N2CCCC2)C1 825615258 ORRXPRDLMPYAJL-GJZGRUSLSA-N 319.361 1.325 5 50 DDBA CN1CCC(N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 125679 QOUWQLUSDCMQLW-UHFFFAOYSA-N 313.379 1.310 5 50 DDBA CCc1nn(C)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 283082945 UVEHSJVGZVOHNI-UHFFFAOYSA-N 310.335 1.692 5 50 DDBA COc1nn(CCN2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] 13961484 MQUMSIWHULBVBI-UHFFFAOYSA-N 316.273 1.096 5 50 DDBA Cc1noc(/C=C/c2ccccc2OCC(N)=O)c1[N+](=O)[O-] 4770691 GPSQPXDNILADER-VOTSOKGWSA-N 303.274 1.926 5 50 DDBA CN1CCN(c2ccc([N+](=O)[O-])c(N3CCN(C)CC3)c2)CC1 4543672 BZCSIEQDYKERSB-UHFFFAOYSA-N 319.409 1.098 5 50 DDBA COc1ccc(NC(=O)C[C@H]2SC(=N)NC2=O)c([N+](=O)[O-])c1 18142210 KJVRXZNLRKEHCT-SECBINFHSA-N 324.318 1.098 5 50 DDBA C[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1cc(O)nc(O)n1 670419702 VCGKSWXALHCYRF-MRVPVSSYSA-N 318.289 1.157 5 50 DDBA Cn1cc(N2C[C@@H](Nc3ccc([N+](=O)[O-])cc3F)CC2=O)cn1 1615586512 AUDTVGDPHRMATK-VIFPVBQESA-N 319.296 1.685 5 50 DDBA Cc1cc(NC(=O)[C@@H](C)Cn2nc(C)c([N+](=O)[O-])c2C)no1 2791572 YOEHAKVMWDHTHL-ZETCQYMHSA-N 307.310 1.979 5 50 DDBA COC(=O)[C@@H]1C[C@@H](O)CN1c1ccc([N+](=O)[O-])c2cnccc12 170613062 YSJBKWKIHCLOED-OTYXRUKQSA-N 317.301 1.256 5 50 DDBA NC(=O)Cn1nc(-c2cccc([N+](=O)[O-])c2)c2ccccc2c1=O 545408 CEVVNMJBTILDEC-UHFFFAOYSA-N 324.296 1.457 5 50 DDBA Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1ccc(=O)n(C)n1 225712626 KBFVXIVFMUXOCJ-UHFFFAOYSA-N 306.253 1.388 5 50 DDBA Cc1cc(Oc2nc([N+](=O)[O-])nn2CC(N)=O)ccc1Cl 1060175 RNJZJXVYBSDCPM-UHFFFAOYSA-N 311.685 1.426 5 50 DDBA O=C(O)[C@H]1[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H]2C=C[C@H]1O2 239121207 JMXOQCQHCGXZBB-DDHJBXDOSA-N 304.258 1.188 5 50 DDBA C[C@H](CNC(=O)[C@H]1C[C@H]1[N+](=O)[O-])N1CCc2ccccc2C1 252517299 FBSIAVSNYBLIEM-BYCMXARLSA-N 303.362 1.215 5 50 DDBA COC(=O)c1ccn(COc2cc(OC)ccc2[N+](=O)[O-])n1 2733167 DYMZELYODVLLDU-UHFFFAOYSA-N 307.262 1.623 5 50 DDBA CCN1C[C@H](CN(C)C(=O)[C@H]2C[C@@H]2[N+](=O)[O-])Oc2ccccc21 239591360 BBCCMERGBBIIHZ-OBJOEFQTSA-N 319.361 1.398 5 50 DDBA O=C(O)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 2552640 VWMFUYJYNRGYLX-UHFFFAOYSA-N 314.319 1.080 5 50 DDBA O=C(c1cccc([N+](=O)[O-])c1O)N(C[C@@H]1CCOC1)C1CC1 132117796 MCSWGVPHWRGUTH-JTQLQIEISA-N 306.318 1.942 5 50 DDBA Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1COc2ccccc2C1 170597795 OJZOTMPIDKMCEF-LLVKDONJSA-N 313.313 1.911 5 50 DDBA Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N(C)CCCO 585115920 ZRPSFAIXZYKALG-UHFFFAOYSA-N 322.770 1.560 5 50 DDBA Cc1nn(CCc2nc3c4ccccc4ncn3n2)cc1[N+](=O)[O-] 2807871 OCKOFWCOTOKKNL-UHFFFAOYSA-N 323.316 1.933 5 50 DDBA NC(=O)[C@@H](F)C1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 585132597 CRIGXFUUWVEIKN-JTQLQIEISA-N 316.720 1.683 5 50 DDBA C[C@@H](C(=O)Nc1cccc(F)c1)n1cc([N+](=O)[O-])c(C(N)=O)n1 170613147 RXSHBPFXYFGLKM-ZETCQYMHSA-N 321.268 1.229 5 50 DDBA Cc1nnc(N2CCN(c3ccc([N+](=O)[O-])c(C)n3)CC2)s1 952993469 NNNZYIRKHNUVQG-UHFFFAOYSA-N 320.378 1.785 5 50 DDBA CO[C@H]1CCCCC[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])nc1C 225453712 IHXYJSXAVNRVQA-RYUDHWBXSA-N 310.354 1.564 5 50 DDBA CN([C@H](CO)C(C)(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 128456888 UCZCLJXOGNSICP-GFCCVEGCSA-N 316.379 1.622 5 50 DDBA O=[N+]([O-])c1ccc(O)c(/C=C/c2nc(O)nc(O)c2[N+](=O)[O-])c1 13590203 AQZSXODDJFIWHL-HNQUOIGGSA-N 320.217 1.580 5 50 DDBA COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C=C[C@H]2O1 101358087 RCIPQFMRNBPBRC-FPQZTECRSA-N 316.269 1.046 5 50 DDBA Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc2c(c1)OCCO2 356006 MJUBZHYUTYYYKQ-UHFFFAOYSA-N 304.262 1.352 5 50 DDBA CC(C)C[C@](C)(CN)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 155909014 GFLXPSWZBYTIRK-CYBMUJFWSA-N 315.395 1.637 5 50 DDBA C[Si](C)(C)[C@@]12[C@@H]3[C@@H]4C[C@H]5C(=O)[C@@H](C[C@@H]1C4=O)[C@@]2([N+](=O)[O-])[C@@H]35 257355447 ASJGLUFJIUTQQS-WZGDGOENSA-N 305.406 1.764 5 50 DDBA Cc1ccc([N+](=O)[O-])c(N2CCCN(c3cccnn3)CC2)n1 268812072 MNDGIVXUEYDLBI-UHFFFAOYSA-N 314.349 1.805 5 50 DDBA Nc1ccc(C(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 4255812 AHJQYSHDQYHUNR-UHFFFAOYSA-N 302.246 1.898 5 50 DDBA NS(=O)(=O)c1ccc([N+](=O)[O-])c(NCC2CCOCC2)c1 604252046 OVCQJWLPJXPLBM-UHFFFAOYSA-N 315.351 1.081 5 50 DDBA CN(C)CC[C@H]1CCCN1C(=O)CCn1cc([N+](=O)[O-])cn1 1615615988 ZZSPDVPTSUQQEG-GFCCVEGCSA-N 309.370 1.124 5 50 DDBA CCn1cc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)cn1 5585616 JUSXJYMXSDCLLM-UHFFFAOYSA-N 319.346 1.938 5 50 DDBA O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[C@H](CO)CC1 152692787 ZTFFGHVMKCYMOL-OKILXGFUSA-N 321.377 1.988 5 50 DDBA Cn1ccnc1N1CCC(NC(=O)c2ccc([N+](=O)[O-])o2)CC1 372964918 AISGHFNCFSCVSN-UHFFFAOYSA-N 319.321 1.320 5 50 DDBA Cc1ccnc(N2CCC(N3CCOC[C@@H]3C)CC2)c1[N+](=O)[O-] 585092270 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ZLWJIWDHQOSDKA-UHFFFAOYSA-N 318.293 1.066 5 50 DDBA CCNS(=O)(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C 172450036 PLMUJCJFHSZEFS-UHFFFAOYSA-N 301.368 1.660 5 50 DDBA C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@@H](C)O1 2898493 FRPPZYHJVXVLNL-RKDXNWHRSA-N 309.278 1.752 5 50 DDBA Cc1cccc(C(=O)/N=c2/ccnc3n(C)[nH]cc2-3)c1[N+](=O)[O-] 170618595 GEDBWYKLYMBZQQ-PDGQHHTCSA-N 311.301 1.811 5 50 DDBA O=[N+]([O-])c1ccc(N2[C@H]3C[C@H]4[C@H]([C@@H]3O)[C@@H]3C[C@H]4[C@@H](O)[C@H]32)c(F)c1 585092105 FOVTYJNHGDDBOC-VCWSBIOZSA-N 320.320 1.299 5 50 DDBA O=C(NCc1nc2cccnc2[nH]1)c1csc([N+](=O)[O-])c1 194222585 FMRVJUYCPIXKOS-UHFFFAOYSA-N 303.303 1.858 5 50 DDBA COc1ccc([C@H]2NC(=O)CC[C@@H]2[N+](=O)[O-])c(OC)c1OC 451479 CEPAIOWRPDKZQP-JOYOIKCWSA-N 310.306 1.309 5 50 DDBA Cc1nn(C)c(NCc2nnc3c(Cl)cccn23)c1[N+](=O)[O-] 585132685 LRCAXJHYCHOZHI-UHFFFAOYSA-N 321.728 1.945 5 50 DDBA NS(=O)(=O)c1ccc(N2C[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)c([N+](=O)[O-])c1 247708309 GSJMUGXWLXUBBD-FIRSBJHFSA-N 323.374 1.477 5 50 DDBA Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)NC[C@H]1CCCO1 196111 RJWUAOJSWRXVTM-MRVPVSSYSA-N 302.718 1.048 5 50 DDBA O=C1O[C@H]2C[C@H]3C[C@@H]2[C@H]1[C@@H]3C(=O)Nc1ccc([N+](=O)[O-])cc1 239222091 UISPVILPNWSMGC-RECBEJSDSA-N 302.286 1.731 5 50 DDBA CC(C)(C)OC(=O)[C@@H]1CCCCN1c1ncc([N+](=O)[O-])c(N)n1 1616038139 VHZWEQLYRYCTST-VIFPVBQESA-N 323.353 1.668 5 50 DDBA O=[N+]([O-])c1c(N2CCC[C@@H](CO)[C@H]2CO)ccc2ncccc12 952994854 VSVYEZOPPASITM-XHDPSFHLSA-N 317.345 1.713 5 50 DDBA Cc1cc(=O)n2nc(NCc3cccc([N+](=O)[O-])c3)nc2[nH]1 100271069 DRSYUJMADYDIMO-UHFFFAOYSA-N 300.278 1.246 5 50 DDBA O=c1[nH]cc(-c2cc(Br)cc([N+](=O)[O-])c2)c(=O)[nH]1 334500 GZNIYUHBTBADAT-UHFFFAOYSA-N 312.079 1.401 5 50 DDBA C[C@@H]([C@H](C)C(=O)NCc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O 170617923 QKFKHKQLULSSFQ-UWVGGRQHSA-N 314.363 1.280 5 50 DDBA NC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 170614345 DJILYOFIJNAOMA-CYBMUJFWSA-N 313.379 1.391 5 50 DDBA CSc1nc(=O)cnn1CCOc1cccc([N+](=O)[O-])c1 585122924 JBHMYHGBQSENAF-UHFFFAOYSA-N 308.319 1.347 5 50 DDBA Nc1ncnc(N2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] 54491242 QFNODXBSGFXOPN-UHFFFAOYSA-N 314.349 1.289 5 50 DDBA CC1(C)[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@@H]2CCO[C@H]21 230191679 QVLSDOGXQOMYET-ZWKOPEQDSA-N 306.318 1.844 5 50 DDBA CCO[C@H]1C[C@H](N(C)c2ncc([N+](=O)[O-])c(N)n2)C12CCC2 154909041 PHJMUSPBRAGJTQ-QWRGUYRKSA-N 307.354 1.751 5 50 DDBA Cc1ccnc([C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)c1 408523137 PEKBBDZVQMFPSH-GFCCVEGCSA-N 315.333 1.511 5 50 DDBA O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1CC[C@@H](C2CC2)N1 593910138 RLCKZFHKEHTBDU-UONOGXRCSA-N 303.362 1.784 5 50 DDBA COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(C)CC1 119867 WGGXFVUWTMJXTA-UHFFFAOYSA-N 322.365 1.179 5 50 DDBA CC1(C)[C@@H](Nc2ncccc2[N+](=O)[O-])C[C@@H]1N1CCOCC1 585092114 FVRSDXSJMFNAEH-STQMWFEESA-N 306.366 1.901 5 50 DDBA C[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1CN 225322792 BFYINUYYZXGTKR-MFKMUULPSA-N 313.379 1.343 5 50 DDBA Cc1nn(Cc2ccc(C(=O)n3cccn3)o2)c(C)c1[N+](=O)[O-] 2779564 FCSNKXLMAFQFIH-UHFFFAOYSA-N 315.289 1.934 5 50 DDBA COc1ccc(S(=O)(=O)N(C)c2cnccn2)c([N+](=O)[O-])c1 340636356 PMVHFWYTFUKECF-UHFFFAOYSA-N 324.318 1.219 5 50 DDBA NC(=O)c1ccccc1NC(=O)COc1ccccc1[N+](=O)[O-] 466373 NARMSDSICPTLLN-UHFFFAOYSA-N 315.285 1.711 5 50 DDBA CCC[C@H](C)C(=O)NS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] 850889576 WKRVZUGVWYFLTA-QMMMGPOBSA-N 318.326 1.975 5 50 DDBA COCC1(NS(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)CCC1 1875289258 BENOTIBZZHTERF-UHFFFAOYSA-N 318.326 1.581 5 50 DDBA Cc1ccnc(N2CCC[C@H](c3nc(=N)n(C)[nH]3)C2)c1[N+](=O)[O-] 1776005104 BFEUJFNHRJUGPB-JTQLQIEISA-N 317.353 1.223 5 50 DDBA C[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 217342216 YPFUMAKGRZTFRY-ZAZJYDDPSA-N 300.270 1.428 5 50 DDBA CCN(CC)CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C 19891541 DQMOPYFNEGKUFQ-UHFFFAOYSA-N 324.337 1.883 5 50 DDBA O=C(CN[C@@H](CO)C(F)(F)F)Nc1ccccc1[N+](=O)[O-] 1875273781 FDSUGNRVWBOIFW-VIFPVBQESA-N 307.228 1.046 5 50 DDBA CC(C)c1ccc(C(=O)N[C@H]2CCC(=O)NC2)cc1[N+](=O)[O-] 225488763 NJQHOROVEDRGQE-NSHDSACASA-N 305.334 1.727 5 50 DDBA CC1=NN2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)N=C2SC1=O 4528667 FCNGFWVTOFDYMI-UXBLZVDNSA-N 316.298 1.783 5 50 DDBA O=[N+]([O-])c1ccccc1OC[C@H](O)Cn1nnc2ccccc21 6244264 KKVCPLJCZCZQST-LLVKDONJSA-N 314.301 1.779 5 50 DDBA COC(=O)C[C@H]1CCCN1C(=O)c1cc(C)cc([N+](=O)[O-])c1N 179144318 GLBAXFPSUADFKQ-SNVBAGLBSA-N 321.333 1.653 5 50 DDBA CN1CC[C@H]2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)[C@H]2C1 239667337 BPPMEPUCCMZZBC-ZFWWWQNUSA-N 303.362 1.690 5 50 DDBA Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCCN1CCOCC1 17055995 ZIKHDWGTWWZKME-UHFFFAOYSA-N 322.365 1.747 5 50 DDBA O=[N+]([O-])c1ccccc1S(=O)(=O)NCCC1CCNCC1 593733663 YGHPWSFWONRQBO-UHFFFAOYSA-N 313.379 1.263 5 50 DDBA CN/C(=C\[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1 1530728 VMXUWOKSQNHOCA-UKTHLTGXSA-N 314.411 1.459 5 50 DDBA fda O=C(N[C@@H]1CCCC[C@H]1CO)c1[nH]nc([N+](=O)[O-])c1Cl 1775985503 ATFRFAROQDHFER-NKWVEPMBSA-N 302.718 1.252 5 50 DDBA CN(C)C(=O)CNC(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl 225506739 KBIYXXWBDNFRCZ-UHFFFAOYSA-N 320.132 1.720 5 50 DDBA CC(=O)c1ccc(N2CC(N3CCNC3=O)C2)c([N+](=O)[O-])c1 253431666 WTVLBVKKLSFYPC-UHFFFAOYSA-N 304.306 1.011 5 50 DDBA Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc2c(c1)COC2=O 204581 HMEBWMJQZURWHZ-UHFFFAOYSA-N 302.246 1.251 5 50 DDBA Cc1nn(C(=O)Cn2nc([N+](=O)[O-])cc2C)c(C)c1[N+](=O)[O-] 12446617 PLVCUYDFAFLYPJ-UHFFFAOYSA-N 308.254 1.162 5 50 DDBA Cc1nn(CC2CN(S(C)(=O)=O)C2)c2ccc([N+](=O)[O-])cc12 602092967 CAPVPQPMWZSMMH-UHFFFAOYSA-N 324.362 1.144 5 50 DDBA C[N+]1([O-])[C@H]2CC[C@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 100133250 HGWPFSBHDACWNL-DSXPZYJUSA-N 305.374 1.944 5 50 DDBA in-vitro O=[N+]([O-])c1cn[nH]c1-c1nnc(Nc2ccc3c(c2)OCO3)o1 12375174 IKBNGUZAAJFKQB-UHFFFAOYSA-N 316.233 1.840 5 50 DDBA O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCOCC1 4036597 NVIVAZQXXLBOEP-UHFFFAOYSA-N 305.334 1.667 5 50 DDBA Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)N1CCCC1 1069512 OMMKGJBVDWSBME-UHFFFAOYSA-N 317.143 1.485 5 50 DDBA CCn1cc(N(CC(C)C)C(=O)Cn2cc([N+](=O)[O-])cn2)cn1 585087519 CGXPYLWHJROHSR-UHFFFAOYSA-N 320.353 1.697 5 50 DDBA C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[S@@]1=O 252484127 FPDQMMYELPXMOZ-UZJPJQLHSA-N 311.363 1.970 5 50 DDBA O=C(c1n[nH]cc1[N+](=O)[O-])N1CCCN(c2ccncc2)CC1 1457885604 MAYMBAJERBOQEN-UHFFFAOYSA-N 316.321 1.065 5 50 DDBA C[C@H](O)CNCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 4045605 LCSZNGOSLIAKNJ-QMMMGPOBSA-N 307.272 1.996 5 50 DDBA NC(=O)c1nn(CC(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-] 1429447 FRJXUGGJGJPPRU-UHFFFAOYSA-N 323.696 1.182 5 50 DDBA Cc1sc(NC(=O)c2n[nH]cc2[N+](=O)[O-])c(C(N)=O)c1C 6413298 XZRSVNJSUIWCPO-UHFFFAOYSA-N 309.307 1.347 5 50 DDBA CN(c1nc(Cn2cccc([N+](=O)[O-])c2=O)cs1)C1CC1 225472421 UHLVELZZPOTLRB-UHFFFAOYSA-N 306.347 1.860 5 50 DDBA Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]1c1nn[nH]n1 952884027 RPWYIPINMQBBHK-NSHDSACASA-N 317.309 1.785 5 50 DDBA O=C(N[C@@H]1CCC[C@H]2OCC[C@@H]12)c1cccc([N+](=O)[O-])c1O 230181637 OFZOSGKWAWJJJI-UFGOTCBOSA-N 306.318 1.988 5 50 DDBA COc1ccc(C(N)=O)cc1NC(=O)c1cccc([N+](=O)[O-])c1 431485 NIJHDORLODSFFV-UHFFFAOYSA-N 315.285 1.955 5 50 DDBA C[C@H]1CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C[C@H]1C 242288015 YKKQNJRAOBRAMJ-VHSXEESVSA-N 313.379 1.725 5 50 DDBA Nc1c([N+](=O)[O-])cc(F)c(N2CCOCC2)c1Br 5063424 WRKXPFNMPSWPJC-UHFFFAOYSA-N 320.118 1.915 5 50 DDBA CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br 173005427 RVUJQTVZFWWWNL-UHFFFAOYSA-N 309.141 1.656 5 50 DDBA O=[N+]([O-])c1ccn(CCN2CCC[C@@H]2[C@@H](O)C(F)(F)F)n1 222083764 OGVCAEKPJCWQJN-PSASIEDQSA-N 308.260 1.179 5 50 DDBA NS(=O)(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 50248 WKERFCQPKMSXCD-UHFFFAOYSA-N 321.314 1.495 5 50 DDBA COc1ccc(NC(=O)Cn2nc([N+](=O)[O-])cc2C)cc1OC 196090 AMUFTTNMJGTMKX-UHFFFAOYSA-N 320.305 1.756 5 50 DDBA CC1=NN[C@]2(C)Nc3ncnn3[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]12 4060588 KNJBPUYAXUVFLK-OBJOEFQTSA-N 313.321 1.513 5 50 DDBA C[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@@H](C)S1=O 408341614 HVFXKJLUTWKOEL-RKDXNWHRSA-N 312.347 1.282 5 50 DDBA COc1cc([C@H]2NC(=O)CC[C@H]2[N+](=O)[O-])cc(Cl)c1O 85975 RTXKQSOCNPKWMF-LDYMZIIASA-N 300.698 1.651 5 50 DDBA Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)C(=O)O)cc1Cl 2506188 LIJWFPDPQCHRKR-ZCFIWIBFSA-N 322.726 1.308 5 50 DDBA Cc1cc(C)n(-c2cc(N3CCNCC3)ccc2[N+](=O)[O-])n1 4184114 JMJWFMJOTXNCFI-UHFFFAOYSA-N 301.350 1.807 5 50 DDBA CCc1c(C)sc(NC(=O)c2n[nH]cc2[N+](=O)[O-])c1C(N)=O 6412688 PYNXBTOBJBTQCC-UHFFFAOYSA-N 323.334 1.601 5 50 DDBA CCOC(=O)c1ccc([N+](=O)[O-])n1CC(OCC)OCC 38538089 WGXFNSFTGHOHPU-UHFFFAOYSA-N 300.311 1.972 5 50 DDBA in-vitro COC(=O)c1ccccc1NC(=O)Cn1cc([N+](=O)[O-])cn1 4820821 GCXNRDHJTKPYOF-UHFFFAOYSA-N 304.262 1.217 5 50 DDBA CC[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1N 251785066 NGOBRWARCISHHZ-ZWNOBZJWSA-N 313.379 1.343 5 50 DDBA O=C(Cn1cc([N+](=O)[O-])c(-c2ccc(F)cn2)n1)N1CCCC1 585088409 UNLQIBTXRIUXEV-UHFFFAOYSA-N 319.296 1.615 5 50 DDBA O=C(NCCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 5090941 IEXHSFGGVPWMPS-UHFFFAOYSA-N 313.313 1.892 5 50 DDBA CCOC1(c2nccn2C)CN(c2nccc(C)c2[N+](=O)[O-])C1 1776006651 YUZBOJPYCYWQIC-UHFFFAOYSA-N 317.349 1.784 5 50 DDBA O=[N+]([O-])c1cc([N+](=O)[O-])c(N2CCC[C@H](O)C2)c([N+](=O)[O-])c1 110155494 SBIIVTDLHCIRQB-QMMMGPOBSA-N 312.238 1.372 5 50 DDBA CC1(C)C[C@@H](NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 408519492 HCTTWAKLFQSAGB-AAEUAGOBSA-N 308.334 1.702 5 50 DDBA O=C(O)[C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 3864747 CHGFLZJPAZABLC-NSHDSACASA-N 314.319 1.223 5 50 DDBA COC(=O)[C@]1(C)CCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 275446787 SSCMCFWXWDAIAL-HNNXBMFYSA-N 322.317 1.528 5 50 DDBA COc1cc(CN2CCCN(C)CC2)c([N+](=O)[O-])cc1OC 4978303 HWUBDYLSBCBIEV-UHFFFAOYSA-N 309.366 1.750 5 50 DDBA COC(=O)c1cnc(N2C[C@H](C)O[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 280536725 RYZDKNOXKWLARX-TVQRCGJNSA-N 321.333 1.780 5 50 DDBA CCn1nc(C)c([N+](=O)[O-])c1NCCc1nnc2n1CCC2 253432409 YYDWBAZMNMZJAT-UHFFFAOYSA-N 305.342 1.312 5 50 DDBA CC1=NN[C@]2(C)Nc3ncnn3[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]12 4060592 KNJBPUYAXUVFLK-DYEKYZERSA-N 313.321 1.513 5 50 DDBA CC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)C(C)(C)C1 180402782 BJCFSCJOYWBANO-UHFFFAOYSA-N 320.349 1.381 5 50 DDBA COC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cccc([N+](=O)[O-])c1 65473 CIBVLNVBSOKSSA-GFCCVEGCSA-N 315.289 1.648 5 50 DDBA COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100184289 DBERPQOTGLWBFM-LBLXLQPISA-N 314.297 1.915 5 50 DDBA Cn1cc(NC(=O)c2cc([N+](=O)[O-])cnc2O)cc(Cl)c1=O 134402435 SUMHXEFOUSCUDP-UHFFFAOYSA-N 324.680 1.300 5 50 DDBA O=[N+]([O-])c1cccnc1N1CCC(c2ccnn2CCO)CC1 253424912 SIQOSWIEXOGZQR-UHFFFAOYSA-N 317.349 1.563 5 50 DDBA Cc1cnccc1CCNC(=O)c1cc([N+](=O)[O-])ccc1N 170605151 GMCQDYMVWKVWIR-UHFFFAOYSA-N 300.318 1.853 5 50 DDBA C[C@H](CCO)CCNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 596256798 HDRNLSHIWKIZBK-VIFPVBQESA-N 317.367 1.063 5 50 DDBA CC(=O)NC[C@H]1CCCCN1c1nc2sccn2c1[N+](=O)[O-] 599201456 KGJFMIPLZVKGBZ-SNVBAGLBSA-N 323.378 1.799 5 50 DDBA CCS(=O)(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 19842684 RVHWBKZBDDJKHY-UHFFFAOYSA-N 313.379 1.062 5 50 DDBA C[C@H]1CC[S@](=O)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 242273793 YFYHKKLXYXJTQC-CWKPULSASA-N 311.363 1.970 5 50 DDBA O=C(Nc1ccc2c(c1)OCCO2)c1n[nH]c([N+](=O)[O-])c1Cl 5642456 IBXRARAGKYXPPI-UHFFFAOYSA-N 324.680 1.995 5 50 DDBA C[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@H](C)S1=O 408341613 HVFXKJLUTWKOEL-IUCAKERBSA-N 312.347 1.282 5 50 DDBA C[C@@]12C=C[C@@](C)(O1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 432190 YTEDFCBCFDCRDW-CRJCFHLZSA-N 314.297 1.818 5 50 DDBA O=[N+]([O-])c1cnn(CCN2CCC(C3CCOCC3)CC2)c1 170687417 GRGRXZWVXMPVHK-UHFFFAOYSA-N 308.382 1.930 5 50 DDBA COC(=O)c1ncn(-c2ccccc2[N+](=O)[O-])c1C(=O)OC 670422569 BNYJVEQLLIABNZ-UHFFFAOYSA-N 305.246 1.354 5 50 DDBA Cc1cc(C(=O)NC[C@@H](C)Cn2ccnc2)c(N)c([N+](=O)[O-])c1 176829522 BORPETSOSJKDJL-LLVKDONJSA-N 317.349 1.748 5 50 DDBA CC(=O)c1ccc(N[C@H](CO)Cc2cnn(C)c2)c([N+](=O)[O-])c1 408523368 JMXYBJVJJQPVJC-ZDUSSCGKSA-N 318.333 1.546 5 50 DDBA Cc1noc([C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)C(C)C)n1 170083336 IHLAZWOVEFJGDC-GFCCVEGCSA-N 319.321 1.996 5 50 DDBA COc1ccc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])cc1OC 4501587 PKSLOHMKDSSQHQ-HWKANZROSA-N 319.273 1.571 5 50 DDBA O=C(O)Cc1ccc([N+](=O)[O-])cc1I 135211058 BEFNAALHVCXDDU-UHFFFAOYSA-N 307.043 1.827 5 50 DDBA COC(=O)C1=Cc2cc([N+](=O)[O-])ccc2O[C@H]1N1CCOCC1 19770667 ZXKJHNDADNNJJT-CQSZACIVSA-N 320.301 1.202 5 50 DDBA CNCc1ncc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)cn1 1875344537 HOUOHOKFQZTTGL-UHFFFAOYSA-N 312.289 1.821 5 50 DDBA O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCN(CC2CC2)CC1 298877780 XJEWUVGFKVXOLT-UHFFFAOYSA-N 303.362 1.692 5 50 DDBA NS(=O)(=O)c1ccc(N2C[C@@H]3[C@H]4CC[C@@H](C4)[C@H]32)c([N+](=O)[O-])c1 247708312 GSJMUGXWLXUBBD-HFAYUQKSSA-N 323.374 1.477 5 50 DDBA O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@@H](c2ccccn2)C1 408518592 PNRNFHUSKJPLOC-GFCCVEGCSA-N 315.333 1.593 5 50 DDBA CN(C)S(=O)(=O)Cc1noc(-c2ccc([N+](=O)[O-])cc2)n1 225593298 UNKPKCDVVJHCOZ-UHFFFAOYSA-N 312.307 1.036 5 50 DDBA NC(=O)CN1CCC(Nc2ncc([N+](=O)[O-])cc2Cl)CC1 227648673 JDDWLTXUJMZDHF-UHFFFAOYSA-N 313.745 1.005 5 50 DDBA CC1(C)C[C@H](NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 408519496 HCTTWAKLFQSAGB-YPMHNXCESA-N 308.334 1.702 5 50 DDBA COC(=O)[C@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@@H](C)O1 253398401 VCGQCGUTOOLOHM-GMSGAONNSA-N 315.713 1.410 5 50 DDBA O=C(NC(=S)NCc1ccccn1)c1ccc([N+](=O)[O-])cc1 83817 HNNNQTMVOODZJF-UHFFFAOYSA-N 316.342 1.794 5 50 DDBA CC1=NN[C@]2(C)Nc3ncnn3[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]12 12857314 KNJBPUYAXUVFLK-SCRDCRAPSA-N 313.321 1.513 5 50 DDBA CN(CC(=O)O)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 153079937 BLNSGOZIMVKBMZ-UHFFFAOYSA-N 324.336 1.698 5 50 DDBA Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1ccc2c(c1)OCO2 196093 SPFMTSKZHGGCEV-UHFFFAOYSA-N 304.262 1.467 5 50 DDBA C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](O)CC1 293061560 IMNDROKKUWQIEM-SMDDNHRTSA-N 307.350 1.769 5 50 DDBA CC(C)C[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)O 84643 VRHVHBIUCNRUOK-VIFPVBQESA-N 316.335 1.372 5 50 DDBA O=[N+]([O-])c1cccc(C(N2CCOCC2)N2CCOCC2)c1 19300881 OKDOZIOORNWBOI-UHFFFAOYSA-N 307.350 1.258 5 50 DDBA COC(=O)[C@H](CCSC)NC(=O)c1ccc([N+](=O)[O-])cc1 2779364 JVHCJGKDVFLBER-NSHDSACASA-N 312.347 1.619 5 50 DDBA CN1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 4313622 OWAWCKZAKWSVSQ-UHFFFAOYSA-N 312.757 1.434 5 50 DDBA Cc1nn(C)c(N2CCOCC3(CCOCC3)C2)c1[N+](=O)[O-] 302133268 HEMGOMGYOYSTDE-UHFFFAOYSA-N 310.354 1.270 5 50 DDBA CCOC(=O)CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 2156186 SABRKUXVDKTNKA-UHFFFAOYSA-N 301.686 1.933 5 50 DDBA CC[C@H](CO)NC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O 1059722 ICLPHFPPZQIBDW-SECBINFHSA-N 306.274 1.202 5 50 DDBA COC(=O)c1c([N+](=O)[O-])c(OC)c(OC)c(OC)c1[N+](=O)[O-] 3671539 AAMUAUAHCKODNJ-UHFFFAOYSA-N 316.222 1.315 5 50 DDBA O=C(O)CCNc1ccc(C(=O)N2CCCC2)cc1[N+](=O)[O-] 45796125 JHIHNBHPEMHHBZ-UHFFFAOYSA-N 307.306 1.717 5 50 DDBA O=[N+]([O-])c1cccc(OCCN2CCOC[C@]23CCOC3)c1 193722719 IPFSIKNUABGYGP-OAHLLOKOSA-N 308.334 1.465 5 50 DDBA Cc1cc(=O)n2c(n1)NC(=S)N[C@@H]2c1cccc([N+](=O)[O-])c1 1740816364 AXGQKYMMXREFIP-NSHDSACASA-N 317.330 1.307 5 50 DDBA CC[S@@](=O)CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 134645310 WDIPBESFURGFMV-NRFANRHFSA-N 311.363 1.660 5 50 DDBA COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C(=O)O)[C@@H]2C[C@H]2C)c1 1875353517 VXBYCKPVBZJUAZ-GMEUVTARSA-N 308.290 1.442 5 50 DDBA CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCCc1cn[nH]c1 1775985421 UWDLVNWTKZEKPM-UHFFFAOYSA-N 324.362 1.766 5 50 DDBA CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CN(C2CC2)CCO1 192575485 FDAOYEYMQHQFJB-GFCCVEGCSA-N 309.370 1.395 5 50 DDBA Cc1nn(C)c(NCc2nnc3ccc(Cl)cn23)c1[N+](=O)[O-] 585139341 HMLXKZHOKYIELV-UHFFFAOYSA-N 321.728 1.945 5 50 DDBA COC(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])nn2C)cc1 4785047 BNLBSXNUTWNPNQ-UHFFFAOYSA-N 318.289 1.045 5 50 DDBA Nc1nonc1-c1noc(-c2ccc([N+](=O)[O-])cc2Cl)n1 1067648 XKPAWWRRCCIJSI-UHFFFAOYSA-N 308.641 1.930 5 50 DDBA CC(C)OCCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 2872090 WEFMSSYFWVLKTC-UHFFFAOYSA-N 302.352 1.688 5 50 DDBA Cc1cc(C)n(Cc2nc(-c3c([N+](=O)[O-])nc(C)n3C)no2)n1 253433651 ZTDSQEAXMGYVBO-UHFFFAOYSA-N 317.309 1.548 5 50 DDBA CCN(CC)CCn1cc(Br)c(=O)c([N+](=O)[O-])c1 131203298 JEYUUJOXMPLKJR-UHFFFAOYSA-N 318.171 1.861 5 50 DDBA O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 239121208 JMXOQCQHCGXZBB-KKOKHZNYSA-N 304.258 1.188 5 50 DDBA O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC(OCC(F)F)C1 170017783 XFTWDJVUYUOCEK-UHFFFAOYSA-N 302.233 1.407 5 50 DDBA O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N[C@@H]1CCc2ncnn2C1 585119489 JAFLRJIAJVFYRP-SECBINFHSA-N 320.284 1.462 5 50 DDBA O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CC[C@@H](N2CCCC2)C1 825615259 ORRXPRDLMPYAJL-HUUCEWRRSA-N 319.361 1.325 5 50 DDBA CC12CN3CC(C)(CN(C1)C3c1ccccc1[N+](=O)[O-])C2=O 95344620 AOAQXZDUTGIUII-UHFFFAOYSA-N 301.346 1.820 5 50 DDBA biogenic O=[N+]([O-])c1ccc(N2CCC(O)(CN3CCCCC3)CC2)nc1 1613060039 DEEWXPBYHJGUMD-UHFFFAOYSA-N 320.393 1.807 5 50 DDBA CCOc1ccc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc1 5080940 QXTODIVXWYTHGZ-VMPITWQZSA-N 303.274 1.953 5 50 DDBA C[C@H](CS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCOCC1 19882973 NJDLIXJAIFHRRR-LLVKDONJSA-N 314.363 1.089 5 50 DDBA COc1cc([N+](=O)[O-])cnc1N1CCN(CCOC(C)C)CC1 863949082 FLIICPKWVXCTIA-UHFFFAOYSA-N 324.381 1.545 5 50 DDBA NC(=O)C(=Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1 2049286247 GVCGBQXGMSJVQW-UHFFFAOYSA-N 301.258 1.444 5 50 DDBA Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCN(C)C 4993682 PZIRINMDHMBHDX-UHFFFAOYSA-N 301.368 1.133 5 50 DDBA COc1cccc2c1CCN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 180750122 GQBOZWCVIJEUGW-UHFFFAOYSA-N 302.290 1.525 5 50 DDBA COC(=O)CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 279879877 GCJCVFGZBFNFDT-UHFFFAOYSA-N 304.661 1.219 5 50 DDBA O=[N+]([O-])c1cc(Cl)ccc1N(CCO)CCOCCO 408520891 ADZHHJXXHKOXIR-UHFFFAOYSA-N 304.730 1.056 5 50 DDBA O=C(c1cnc(O)c([N+](=O)[O-])c1)N1CCN(C2CCCC2)CC1 170600180 OQZGHQOKRBAMNB-UHFFFAOYSA-N 320.349 1.396 5 50 DDBA CC(=O)N1N=C(C(F)(F)F)C[C@@]1(O)c1ccc([N+](=O)[O-])cc1 440359 PCHAIJWXQSOEDZ-LLVKDONJSA-N 317.223 1.910 5 50 DDBA COC(=O)[C@@H](CCSC)NC(=O)c1cccc([N+](=O)[O-])c1 2859844 ZLFYSBJOSYWXDW-LLVKDONJSA-N 312.347 1.619 5 50 DDBA O=[N+]([O-])c1cnc(N2CCC[C@@H](c3nnc4n3CCC4)C2)s1 192451883 AXGSCNYVTHUCCO-SECBINFHSA-N 320.378 1.973 5 50 DDBA C[C@@H]1CN(c2cc(Cl)c(F)cc2[N+](=O)[O-])C[C@H]1C(N)=O 408524662 XEGUQUOFKLCBMR-RNFRBKRXSA-N 301.705 1.945 5 50 DDBA COc1ccc([N+](=O)[O-])cc1NC(=O)CCNC1(CO)CC1 952876974 JPOHHEMICBHFPR-UHFFFAOYSA-N 309.322 1.047 5 50 DDBA CN(C[C@H](O)C(F)(F)F)C(=O)c1ccc(O)c([N+](=O)[O-])c1 119721596 BBJKSLRKTVMTJB-VIFPVBQESA-N 308.212 1.296 5 50 DDBA CCN1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 36270258 FYUZZRVJDLJTAS-UHFFFAOYSA-N 313.379 1.229 5 50 DDBA CCO[C@@H]1C[C@H](N(C)c2ncc([N+](=O)[O-])c(N)n2)C12CCC2 154908970 PHJMUSPBRAGJTQ-WDEREUQCSA-N 307.354 1.751 5 50 DDBA Cn1cc2c(n1)CCC[C@H]2C(=O)Nc1c([N+](=O)[O-])cnn1C 241588356 PCISXWMUOYSULY-MRVPVSSYSA-N 304.310 1.120 5 50 DDBA Cc1ccc(C(=O)COC(=O)c2cnccn2)cc1[N+](=O)[O-] 462406 SFMYHAGRXPTNBA-UHFFFAOYSA-N 301.258 1.733 5 50 DDBA Cc1nn(C)cc1C(=O)NC(=O)Nc1ccccc1[N+](=O)[O-] 15636525 GBJMZKYMZHGVHL-UHFFFAOYSA-N 303.278 1.599 5 50 DDBA CNC(=O)[C@H](O)CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 225435572 QDWOYAIFZILYMZ-GFCCVEGCSA-N 316.317 1.176 5 50 DDBA CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1O 153592299 QDUMGXPHOAWVIU-WQAKAFBOSA-N 306.318 1.844 5 50 DDBA COC(=O)[C@]1(C(=O)O)Cc2cc([N+](=O)[O-])ccc2N2CCC[C@H]21 229798527 VVDMOGJPPTWGSX-SWLSCSKDSA-N 320.301 1.364 5 50 DDBA O=[N+]([O-])c1cc2c(cc1/C=C1/[C@@H](O)C3CCN1CC3)OCO2 15017087 LKFUYMGWPXKBAO-LGVHXXEASA-N 304.302 1.751 5 50 DDBA CCC[C@@H](C)C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1875324103 HWANOWMFHOARCU-SECBINFHSA-N 300.336 1.836 5 50 DDBA C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)n1cc([N+](=O)[O-])cn1 1424776 PILQMKCWFIOUDZ-QMMMGPOBSA-N 304.262 1.720 5 50 DDBA Cc1cc(C(=O)NC[C@H](C)c2nncn2C)cc([N+](=O)[O-])c1 194266387 QLDYUCXTWAUJKG-JTQLQIEISA-N 303.322 1.565 5 50 DDBA NCC(F)(F)CNc1ncc([N+](=O)[O-])cc1Br 162675226 CGNSNLVCRSQODC-UHFFFAOYSA-N 311.086 1.758 5 50 DDBA O=C(O)CN1C(=O)S/C(=C\c2ccc([N+](=O)[O-])cc2)C1=O 966746 GGSDCOASHFUHDF-UITAMQMPSA-N 308.271 1.716 5 50 DDBA CSC[C@@](C)(O)CNC(=O)c1cc([N+](=O)[O-])ccc1O 271260752 JMGGLCYHDKRKFC-LBPRGKRZSA-N 300.336 1.144 5 50 DDBA COC(=O)c1ncccc1NC(=O)Cc1ccccc1[N+](=O)[O-] 408514621 VVQJDZBPMYLJGM-UHFFFAOYSA-N 315.285 1.958 5 50 DDBA C=CC(=O)N1CCC(n2nc3ccc([N+](=O)[O-])cc3n2)CC1 2325893845 NOVUACLOFVZQKR-UHFFFAOYSA-N 301.306 1.689 5 50 DDBA CN1CCC(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 4007916 RLINILWAXFKMDS-UHFFFAOYSA-N 304.394 1.811 5 50 DDBA O=[N+]([O-])c1ccc(N2CCC[C@H](c3nnc4n3CCC4)C2)cn1 344435219 OZPMJDXIQSPIBI-NSHDSACASA-N 314.349 1.912 5 50 DDBA O=C(O)[C@H]1CC(=O)N(c2nc3ccc([N+](=O)[O-])cc3s2)C1 585122776 FPSYJTNBAAYHJT-LURJTMIESA-N 307.287 1.642 5 50 DDBA Cn1c(C(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)ccc1[N+](=O)[O-] 408086398 IRQNNBKZMLYFFZ-HZMBPMFUSA-N 309.322 1.001 5 50 DDBA O=C(Cn1ccnc1[N+](=O)[O-])NCC(F)(F)C(F)(F)F 13217452 JGGDSDPOPRWSCX-UHFFFAOYSA-N 302.159 1.105 5 50 DDBA investigational Nc1nnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)s1 1742360 ANAOJFLIRAIMCA-UHFFFAOYSA-N 311.348 1.759 5 50 DDBA O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CCCOCC1 272002271 RZXFZKIRQBXFQQ-SECBINFHSA-N 318.326 1.581 5 50 DDBA CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2C(=O)OC)n1 1002159 HXTGZYKCSPOAEE-UHFFFAOYSA-N 318.289 1.850 5 50 DDBA CCOC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 78529 WJVACOFCFWFVSJ-UHFFFAOYSA-N 307.306 1.509 5 50 DDBA Cc1nc(N2CC[C@@H](O)C2)ncc1-c1cccc([N+](=O)[O-])c1 1875283502 USPRMWQBQYZIOQ-CYBMUJFWSA-N 300.318 1.931 5 50 DDBA O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCCCC1 3598720 ALUHXURHSFATKJ-UHFFFAOYSA-N 317.301 1.203 5 50 DDBA C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC[S@]1=O 242346969 ZKRWVMFFVQCFOQ-JLTPVHFHSA-N 312.347 1.284 5 50 DDBA Cc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)cc1[N+](=O)[O-] 222492318 MGXPBFSXDVZTQW-LPWJVIDDSA-N 318.285 1.496 5 50 DDBA CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 4950959 PPBNQKLDXXHPMH-LBPRGKRZSA-N 305.290 1.786 5 50 DDBA biogenic Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(C)C=C[C@H]3O2)cc1[N+](=O)[O-] 239308857 HAOQAKSTJMZPAN-BRXULGCHSA-N 314.297 1.736 5 50 DDBA COC[C@H]1CN(c2cc([N+](=O)[O-])ccc2C(=O)OC)CCO1 408523685 MIPMOGCHZKCWRR-LLVKDONJSA-N 310.306 1.233 5 50 DDBA CC(C)(C)ONC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc12 156151601 JCPUCQNOQZMEPF-UHFFFAOYSA-N 305.290 1.896 5 50 DDBA O=C(N[C@@H]1CCCC[C@@H]1CO)c1[nH]nc([N+](=O)[O-])c1Cl 1775985504 ATFRFAROQDHFER-RNFRBKRXSA-N 302.718 1.252 5 50 DDBA Cc1ccc([N+](=O)[O-])c(OCCNCCN2CCOCC2)c1 4833345 PSCZDBLCEFZLLY-UHFFFAOYSA-N 309.366 1.204 5 50 DDBA Cc1ccnc(N2CCC(N3CCOC[C@H]3C)CC2)c1[N+](=O)[O-] 585092269 MNEDUVXBQZXWIV-CYBMUJFWSA-N 320.393 1.988 5 50 DDBA COc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c([N+](=O)[O-])c1 101360024 CLINSXWBVGSCLK-QYAIJTBZSA-N 314.297 1.915 5 50 DDBA CC(=O)N[C@@]1(c2nc(-c3cc([N+](=O)[O-])c[nH]3)cs2)CCNC1 356879586 DOZSHDNGTITXCO-ZDUSSCGKSA-N 321.362 1.371 5 50 DDBA Cc1cc(C(=O)N[C@H]2CC(=O)N(C(C)C)C2=O)ccc1[N+](=O)[O-] 177569004 MXQSTGNTVVJZJC-NSHDSACASA-N 319.317 1.169 5 50 DDBA COc1cc(C(=O)NCc2cccnc2)c([N+](=O)[O-])cc1OC 183934 LDWUUZYZZILPDU-UHFFFAOYSA-N 317.301 1.937 5 50 DDBA COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 860504 JQYAIRPYPJYKND-LLVKDONJSA-N 324.333 1.921 5 50 DDBA O=[N+]([O-])c1cccc(S(=O)(=O)NCCCn2ccnc2)c1 4678710 NXOBUSQGOUDDAI-UHFFFAOYSA-N 310.335 1.160 5 50 DDBA O=C(c1ccccc1[N+](=O)[O-])N1N=CC[C@]1(O)C(F)(F)F 6926861 KPRUUWSHMRWDLC-JTQLQIEISA-N 303.196 1.677 5 50 DDBA Nc1nc(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)ccc1[N+](=O)[O-] 170594333 DADBRCWNHVSPHP-ZYHUDNBSSA-N 316.292 1.997 5 50 DDBA O=c1c([N+](=O)[O-])cccn1Cc1csc(-c2ncccn2)n1 225533527 HRXMNGOSLFTHCY-UHFFFAOYSA-N 315.314 1.718 5 50 DDBA Cc1ccc2[nH]nc(C(=O)OCCn3cc([N+](=O)[O-])cn3)c2c1 170604715 WLYXFXORKJHKMK-UHFFFAOYSA-N 315.289 1.833 5 50 DDBA O=C(Cc1nnn(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1 5049819 RDRZIXBWSLJXOG-UHFFFAOYSA-N 309.285 1.996 5 50 DDBA CCOC(=O)c1cc2ncc(-c3n[nH]cc3[N+](=O)[O-])cn2n1 49638 VPZYQYIBBKAEBN-UHFFFAOYSA-N 302.250 1.204 5 50 DDBA CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cccc([N+](=O)[O-])c1 135078 TWRZPKOGAMULBM-LBPRGKRZSA-N 321.358 1.951 5 50 DDBA Cc1cc(N2CCC[C@@H](Cc3nn[nH]n3)C2)ncc1[N+](=O)[O-] 1775984957 DUIJUFHSVOOWJM-JTQLQIEISA-N 303.326 1.270 5 50 DDBA CC(=O)N1CCN(c2ccc([N+](=O)[O-])c(NC3CC3)c2)CC1 4687383 NXWZGCXAGFOGNA-UHFFFAOYSA-N 304.350 1.838 5 50 DDBA COc1ccc(OC)c(NC(=O)Cn2nc([N+](=O)[O-])cc2C)c1 1068940 GOXXUJNBQCBGKY-UHFFFAOYSA-N 320.305 1.756 5 50 DDBA CCc1nc(CS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)n[nH]1 225742193 WNGVDLMGQPNNNW-UHFFFAOYSA-N 314.298 1.388 5 50 DDBA CO[C@@H](C)CS(=O)(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C 585129100 XXZOHLAJSCUPRV-UWVGGRQHSA-N 314.363 1.711 5 50 DDBA CNC(=O)NC1CCN(Cc2cc([N+](=O)[O-])ccc2F)CC1 1875274842 MLNQGSUSNIXMOY-UHFFFAOYSA-N 310.329 1.627 5 50 DDBA COc1ccc(NC(=O)C[C@@H]2SC(=N)NC2=O)c([N+](=O)[O-])c1 18142208 KJVRXZNLRKEHCT-VIFPVBQESA-N 324.318 1.098 5 50 DDBA COc1ccc(CCNc2ncnc(N)c2[N+](=O)[O-])cc1OC 3912533 AODAQPDOMVPEBF-UHFFFAOYSA-N 319.321 1.639 5 50 DDBA CCN1C(=O)/C(=C2\SC(=N)NC2=O)c2cc([N+](=O)[O-])ccc21 4755437 IUPKUNXXXIVTFC-KTKRTIGZSA-N 318.314 1.470 5 50 DDBA C[C@@H](C(=O)NCCCN1CCOCC1)c1ccc([N+](=O)[O-])cc1 20272837 UJGNUOANKRWMHP-CYBMUJFWSA-N 321.377 1.537 5 50 DDBA CC(C)[C@H]1CNCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 142007058 JCWPKBPRODWUKF-CYBMUJFWSA-N 313.379 1.213 5 50 DDBA Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1[N+](=O)[O-] 4947774 UDZLBCMRGAVVSB-JTQLQIEISA-N 300.336 1.361 5 50 DDBA COc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c([N+](=O)[O-])c1 100065653 CLINSXWBVGSCLK-LBLXLQPISA-N 314.297 1.915 5 50 DDBA CNC(=O)c1c(C)n[nH]c1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 241124220 JGLZHYMSNULETL-UHFFFAOYSA-N 317.305 1.547 5 50 DDBA C[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12 239432739 WGQIDENZQJCDIA-YXMPFFBPSA-N 300.270 1.428 5 50 DDBA COC(=O)c1cc(-n2ccnc2)c(-n2ccnc2)cc1[N+](=O)[O-] 90513251 WDEMOZOGTCVBEX-UHFFFAOYSA-N 313.273 1.753 5 50 DDBA in-vitro Cc1nn(CSc2nnc(C(F)F)n2N)c(C)c1[N+](=O)[O-] 2554034 UDSNNHAUPITKHR-UHFFFAOYSA-N 319.297 1.401 5 50 DDBA O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@H](CO)[C@@H](O)C1 225360155 MQIKRCTVGFTIAB-PELKAZGASA-N 320.267 1.793 5 50 DDBA COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 100178703 ONVNFFHNCFENJI-WBRVRECLSA-N 314.297 1.915 5 50 DDBA CN(C)Cc1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)c(F)c1 408521482 WDOAULPNEHWJGE-UHFFFAOYSA-N 321.312 1.631 5 50 DDBA Cc1nc([N+](=O)[O-])c(N2CCN(C)CC2)n1Cc1ccccc1 3832886 ZYMGZPLQRLNOFM-UHFFFAOYSA-N 315.377 1.900 5 50 DDBA CCOCCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4757571 QCZCONSCUMZMIS-UHFFFAOYSA-N 307.350 1.670 5 50 DDBA CC(C)[C@H](C)NC(=O)CS(=O)(=O)c1cccc([N+](=O)[O-])c1 169863440 CKZSQIZHNWXQBC-JTQLQIEISA-N 314.363 1.529 5 50 DDBA Cc1cc([N+](=O)[O-])nn1CC(=O)N[C@@H]1CCOc2ccccc21 170619296 JZWYDOVGAFDEDO-GFCCVEGCSA-N 316.317 1.740 5 50 DDBA Cc1nn([C@@H](C)C(=O)NCc2cnn(C)c2C)c(C)c1[N+](=O)[O-] 484241 HQJRUHBYFHRVHM-NSHDSACASA-N 320.353 1.327 5 50 DDBA COC(=O)CCCOc1cc([N+](=O)[O-])c([C@@H](C)N)cc1OC 142936792 CNACOGPNYKMMRO-SECBINFHSA-N 312.322 1.955 5 50 DDBA Cn1nccc1[C@H]1CCCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 281035862 DWNVYQSVPUDTMB-CYBMUJFWSA-N 318.337 1.279 5 50 DDBA Cc1ccc(OCCOCCN2CCN(C)CC2)c([N+](=O)[O-])c1 20118728 MRAAMPCOEUCAAU-UHFFFAOYSA-N 323.393 1.546 5 50 DDBA C[C@@H]1CN(C(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 459172 KPFVVPVDDOEMPD-NXEZZACHSA-N 323.374 1.719 5 50 DDBA CCc1[nH]nc(C(=O)N2CCCC[C@H]2c2ncon2)c1[N+](=O)[O-] 185698245 NASHLDPGSFZWKA-VIFPVBQESA-N 320.309 1.631 5 50 DDBA Cn1ncc([N+](=O)[O-])c1NC(=O)c1cccc(-n2ccnn2)c1 191675600 MSFBWNTYNYIHPI-UHFFFAOYSA-N 313.277 1.161 5 50 DDBA Cn1cnnc1Sc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 2876624 UADORCBFLTVTFG-UHFFFAOYSA-N 314.348 1.278 5 50 DDBA N=C(N)NCCCCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 670429444 FUPGMYSRKAKATO-UHFFFAOYSA-N 324.341 1.958 5 50 DDBA CN(CCN(C)C1CC1)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 408519743 XSHSHBSYVZVKQF-AWEZNQCLSA-N 307.350 1.181 5 50 DDBA O=C(c1ccccc1[N+](=O)[O-])N1CCC(n2cncn2)CC1 241776935 RTQRIMNHNRLVMT-UHFFFAOYSA-N 301.306 1.664 5 50 DDBA C[C@H]1CC[C@@H](C)N1[C@H]1CCC[N+]2(CCS(=O)(=O)CC2)C1 1614423170 IVQXKRAHXLDWPW-ZNMIVQPWSA-N 301.476 1.267 5 50 DDBA O=[N+]([O-])c1cccc(CN2CCN(C[C@H](O)C3CC3)CC2)c1 1615583646 HMJXQEHREMPZIZ-INIZCTEOSA-N 305.378 1.483 5 50 DDBA Nc1onc2c1CN(CC(=O)Nc1ccccc1[N+](=O)[O-])CC2 1875272537 AAVWQXKVUHGSKA-UHFFFAOYSA-N 317.305 1.162 5 50 DDBA O=C(CCCN1C(=O)CCC1=O)Nc1cccc([N+](=O)[O-])c1 2866826 WLWMQEYOYDPTHR-UHFFFAOYSA-N 305.290 1.463 5 50 DDBA O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1CCN2CCCC[C@@H]12 229605254 RKPMLZZMCSNULH-CABCVRRESA-N 319.361 1.717 5 50 DDBA CCN(c1ncc([N+](=O)[O-])c(N)n1)[C@H](C)C(=O)OC(C)(C)C 585098980 ZPPZTHNTVDRVKG-MRVPVSSYSA-N 311.342 1.524 5 50 DDBA C=CC(=O)N1CCC(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 1875366108 MOCOJQJVMGUPKY-UHFFFAOYSA-N 318.333 1.540 5 50 DDBA COC(=O)c1ccc(C)c(NC(=O)Cn2cc([N+](=O)[O-])cn2)c1 2763700 ZVFYZXXQEOSMHU-UHFFFAOYSA-N 318.289 1.525 5 50 DDBA CC1CCN([C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)CC1 4867310 WABUIDUMJSTNED-AWEZNQCLSA-N 317.345 1.959 5 50 DDBA CN1CCN(CCOCCOc2cccc([N+](=O)[O-])c2)CC1 4868785 LRZBCKYVNICMQI-UHFFFAOYSA-N 309.366 1.238 5 50 DDBA CCC[C@H]1CNCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 440828194 APQBYQQQICAIAV-LBPRGKRZSA-N 313.379 1.357 5 50 DDBA Cc1cc(C(=O)NC[C@@H](C)c2nncn2C)cc([N+](=O)[O-])c1 194266361 QLDYUCXTWAUJKG-SNVBAGLBSA-N 303.322 1.565 5 50 DDBA Cc1cc(N2CCC(O)(c3ncnn3C)CC2)ccc1[N+](=O)[O-] 952881133 KLGPLXVPLRAWLL-UHFFFAOYSA-N 317.349 1.520 5 50 DDBA O=[N+]([O-])c1cccnc1N1CCC(O)(Cc2ccncc2)CC1 585092132 GIMJIYUXAHMISV-UHFFFAOYSA-N 314.345 1.959 5 50 DDBA COc1ccc2c3c1O[C@@H]1[C@@H](O)C=C[C@@H]4[C@@H](C2)[N+](C)(C)CC[C@]314 247650105 MLIBORQWQWVNCO-GOSIZQOLSA-N 314.405 1.646 5 50 DDBA biogenic CSC[C@](C)(O)CNC(=O)c1cc([N+](=O)[O-])ccc1O 271260748 JMGGLCYHDKRKFC-GFCCVEGCSA-N 300.336 1.144 5 50 DDBA Cc1n[nH]c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nc1=O 2606617 FIPHVRZBIBNWMA-UHFFFAOYSA-N 321.318 1.112 5 50 DDBA CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 4899805 DNTVFNZXVHFNNL-CABZTGNLSA-N 308.338 1.021 5 50 DDBA CCOC[C@H]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 328597061 CZIPJCRLRGKVCK-SMDDNHRTSA-N 308.334 1.513 5 50 DDBA C[C@@H]1c2ccc(Cl)n2CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 328593398 PKZBWLVWICSCJT-SECBINFHSA-N 323.740 1.850 5 50 DDBA Cc1nn(C)c(C(=O)NCCNC2CCCCCC2)c1[N+](=O)[O-] 237799384 GRHLKYVHPPWFNF-UHFFFAOYSA-N 323.397 1.679 5 50 DDBA O=C(O)CN1C(=O)S/C(=C\c2cccc([N+](=O)[O-])c2)C1=O 966736 DEZJLIXJXQEJDP-UITAMQMPSA-N 308.271 1.716 5 50 DDBA CO[C@@H]1CCCCC[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])nc1C 225453680 IHXYJSXAVNRVQA-NWDGAFQWSA-N 310.354 1.564 5 50 DDBA COc1cc([C@H]2NC(=O)CC[C@H]2[N+](=O)[O-])cc(OC)c1OC 36487 FAEBZOJHRLNECM-NOZJJQNGSA-N 310.306 1.309 5 50 DDBA O=C(CN[C@H](CO)C(F)(F)F)Nc1ccccc1[N+](=O)[O-] 1875273780 FDSUGNRVWBOIFW-SECBINFHSA-N 307.228 1.046 5 50 DDBA Cc1cc(OCC(=O)NC2CCN(C)CC2)ccc1[N+](=O)[O-] 4805539 JECCPFFOZKIMAO-UHFFFAOYSA-N 307.350 1.492 5 50 DDBA C[C@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])N1CCc2sccc2C1 252477522 PVHDRJFKGMYCEI-YUSALJHKSA-N 309.391 1.276 5 50 DDBA Cn1nccc1N1CCC[C@H](Nc2cc(N)ccc2[N+](=O)[O-])C1 282162879 DCIJZXDSDHBQTO-LBPRGKRZSA-N 316.365 1.991 5 50 DDBA CCCc1[nH]nc(C(=O)N[C@@H](C)C2CCN(C)CC2)c1[N+](=O)[O-] 609994307 PQVALZJTPCXAML-JTQLQIEISA-N 323.397 1.731 5 50 DDBA CCn1cc(OCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cn1 193548368 CVINEGUSDIZDJS-UHFFFAOYSA-N 316.317 1.779 5 50 DDBA CNC(=O)NC1CN(c2ccc([N+](=O)[O-])c3cnccc23)C1 242155998 WUYOPALDJOCWGO-UHFFFAOYSA-N 301.306 1.261 5 50 DDBA C[N@+]1([O-])CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5 255194380 AMAPEXTUMXQULJ-CCWAZTPESA-N 301.342 1.211 5 50 DDBA in-vitro CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cccc([N+](=O)[O-])c1 135080 TWRZPKOGAMULBM-GFCCVEGCSA-N 321.358 1.951 5 50 DDBA CCn1c(=O)c([N+](=O)[O-])c(N2CCN(C)CC2)c2ccccc21 4264098 APBPNOZRRMZBEG-UHFFFAOYSA-N 316.361 1.681 5 50 DDBA CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)N1CCOCC1 4998515 AOYSLYCMOMKAQM-UHFFFAOYSA-N 307.350 1.913 5 50 DDBA CS(=O)(=O)N1CCCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c21 4761453 VCIRXZMQCCJSAV-UHFFFAOYSA-N 301.280 1.215 5 50 DDBA O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 239433131 XGHKLCSMNZGIHH-KKOKHZNYSA-N 322.248 1.327 5 50 DDBA Nc1nccc(C(=O)NC[C@H](O)C2CCCCC2)c1[N+](=O)[O-] 408515238 MXLSFHCROXPZNL-NSHDSACASA-N 308.338 1.243 5 50 DDBA CCCn1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 470588 BQQGWADWISJRNR-UHFFFAOYSA-N 310.701 1.897 5 50 DDBA Cc1cc([N+](=O)[O-])nn1C[C@H](C)C(=O)N[C@H](C)[C@H]1CCCO1 245226265 NBDDIGZRLILDLR-MVWJERBFSA-N 310.354 1.420 5 50 DDBA NC(=O)c1ccc(N2CCC(C3OCCO3)CC2)cc1[N+](=O)[O-] 170613112 KRWXRDADRGHKMM-UHFFFAOYSA-N 321.333 1.283 5 50 DDBA O=C(O)C[C@H](NC(=O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 2566324 UVKVNSCEPDKRMP-QMMMGPOBSA-N 306.196 1.789 5 50 DDBA COc1ccc([C@H]2NC(=O)CC[C@H]2[N+](=O)[O-])c(OC)c1OC 451481 CEPAIOWRPDKZQP-BXKDBHETSA-N 310.306 1.309 5 50 DDBA CN1CC[C@@H]2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])[C@H]2C1 252511185 DSLQAEIOWRGEBH-YGRLFVJLSA-N 304.350 1.224 5 50 DDBA COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)c1ccccc1[N+](=O)[O-] 239761791 CKMSJAAODSOZCP-TXFQPVFDSA-N 318.329 1.912 5 50 DDBA C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)c2ccccc2O1 264800175 UKMVOSKIDNLURP-JTQLQIEISA-N 302.290 1.605 5 50 DDBA CC(=O)N1N=C2C3CCN(CC3)[C@@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1 19791335 OMTQXFHLBYPEMY-HOTGVXAUSA-N 314.345 1.948 5 50 DDBA biogenic COc1cc(CN(C)C2CCN(C)CC2)cc([N+](=O)[O-])c1O 4990265 RAIIHCXFECYHNN-UHFFFAOYSA-N 309.366 1.835 5 50 DDBA O=C(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccc(O)c([N+](=O)[O-])c1 119214284 BFAFRBGGKUSJTI-GYSYKLTISA-N 306.318 1.988 5 50 DDBA CC(C)(C)OC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 2541612 VQYVJTCEEOYKHE-VXGBXAGGSA-N 312.322 1.514 5 50 DDBA O=C(N[C@H]1CCO[C@@H](C2CC2)C1)c1cc([N+](=O)[O-])ccc1O 157086060 KIWOBGGOKURTFZ-IINYFYTJSA-N 306.318 1.988 5 50 DDBA Cc1c(NC(=O)N[C@@H]2C(=O)OCC2(C)C)cccc1[N+](=O)[O-] 585119469 IOKACZTUQCMLLJ-LLVKDONJSA-N 307.306 1.976 5 50 DDBA C=CC(=O)N(CC)CC(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 901318008 OGNUOTSBYKTBPO-UHFFFAOYSA-N 317.345 1.827 5 50 DDBA CCOC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O 274797692 RTZVZXKSJYAQJJ-LLVKDONJSA-N 308.290 1.468 5 50 DDBA O=[N+]([O-])c1cccc2ncnc(NCCc3csc(O)n3)c12 408514761 OGTVHDDUTUHOEZ-UHFFFAOYSA-N 317.330 2.355 5 50 DDBA C=CC(=O)NCCC(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 773997347 UEABFZVYIXSNIE-UHFFFAOYSA-N 303.318 1.485 5 50 DDBA C[C@@]12C=C[C@@](C)(O1)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 16675799 YTEDFCBCFDCRDW-BHTHQVBYSA-N 314.297 1.818 5 50 DDBA Cc1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)no1 4881549 LAUMGJHMGRBTIT-UHFFFAOYSA-N 316.317 1.854 5 50 DDBA C[C@@H]1Cc2cc(/C=C/c3nc(O)[nH]c(=O)c3[N+](=O)[O-])ccc2O1 4977983 WTHARTCCCKAVQE-BYDTYLDUSA-N 315.285 1.878 5 50 DDBA COc1ccccc1Nc1c([N+](=O)[O-])nc([N+](=O)[O-])n1CCO 22590539 RVLNBBHMKGKWQD-UHFFFAOYSA-N 323.265 1.444 5 50 DDBA CC1(C)CC(NC(=O)CCn2ccc([N+](=O)[O-])n2)CC(C)(C)N1 2781796 ZKBBQBUBYJAVFT-UHFFFAOYSA-N 323.397 1.607 5 50 DDBA O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCCN(c2nccs2)CC1 604441992 SGHIYERJTRTTNZ-UHFFFAOYSA-N 321.362 1.732 5 50 DDBA CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1[N+](=O)[O-] 5716707 IXWFTGMONIZBQL-GFCCVEGCSA-N 305.290 1.786 5 50 DDBA biogenic CCN1CCN(C2CN(c3ccc([N+](=O)[O-])c(C)n3)C2)CC1 952994299 YUTLUZHJMZZCGF-UHFFFAOYSA-N 305.382 1.124 5 50 DDBA CCn1ccc([C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 6637458 OPDDLOPPNHDZSK-JTQLQIEISA-N 324.362 1.851 5 50 DDBA CNC(=O)[C@H](Cc1cnc[nH]1)Nc1ncc(Cl)cc1[N+](=O)[O-] 952883597 VKTOXAKIYXDBPI-VIFPVBQESA-N 324.728 1.136 5 50 DDBA O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccnc(F)c1 170598668 VERVLGHNEIOUBP-UHFFFAOYSA-N 304.281 1.971 5 50 DDBA Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc([N+](=O)[O-])cc1 3833599 XCAHTMBDHNJCIZ-UHFFFAOYSA-N 305.250 1.647 5 50 DDBA Cc1cc(C(=O)NC2(c3nnc[nH]3)CCC2)cc([N+](=O)[O-])c1 194293334 ZJTUJFIWRMMYLU-UHFFFAOYSA-N 301.306 1.831 5 50 DDBA NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 5000156 YCJMCFQFHGOHSP-UHFFFAOYSA-N 321.314 1.495 5 50 DDBA O=C(O)c1ccc(Cn2cc(Br)c([N+](=O)[O-])n2)o1 39408 RLWQKLOXFLKEPV-UHFFFAOYSA-N 316.067 1.893 5 50 DDBA CC(C)c1[nH]nc(C(=O)NCCNc2ccccn2)c1[N+](=O)[O-] 269451559 GLKBEZSEOCXJCU-UHFFFAOYSA-N 318.337 1.678 5 50 DDBA O=C(Nc1cc(N2CCOCC2)ccc1[N+](=O)[O-])C(F)F 585126318 WLKCAUNFUYUSLV-UHFFFAOYSA-N 301.249 1.635 5 50 DDBA O=[N+]([O-])c1ccc(N2C[C@@H](CO)C[C@H]2CO)cc1C(F)(F)F 1776007193 XYEUIRRIFDELCS-WPRPVWTQSA-N 320.267 1.793 5 50 DDBA CC(C)C[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(N)=O 2894317 PBIRNLBBMNPGSY-NSHDSACASA-N 324.293 1.133 5 50 DDBA CC(C)OC(=O)C[C@H](NC(=O)[C@H]1C[C@H]1[N+](=O)[O-])c1ccccc1 239539201 AVUXGTAVPNLZIB-MELADBBJSA-N 320.345 1.851 5 50 DDBA CC(=O)NC[C@@H]1CCCCN1c1nc2sccn2c1[N+](=O)[O-] 599201455 KGJFMIPLZVKGBZ-JTQLQIEISA-N 323.378 1.799 5 50 DDBA COC(=O)CN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O 4694683 NYFABOFOBOTJHB-UXBLZVDNSA-N 322.298 1.804 5 50 DDBA Cc1cc(N2CC[C@@H](Nc3ncccc3[N+](=O)[O-])C2=O)n(C)n1 266269100 QTMLKKACTMPFOM-SNVBAGLBSA-N 316.321 1.249 5 50 DDBA COC(=O)c1ccccc1NC(=O)c1c([N+](=O)[O-])cnn1C 37094 DNABNAXVLJHMTK-UHFFFAOYSA-N 304.262 1.367 5 50 DDBA O=[N+]([O-])c1cc(Cl)ccc1N1CCn2nnc(CO)c2C1 328593839 QMFYTOSCOSATQX-UHFFFAOYSA-N 309.713 1.352 5 50 DDBA C[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)N1CCCCC1=O 170619104 UTJLJZVMRGBZOR-SECBINFHSA-N 311.363 1.787 5 50 DDBA COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 860503 JQYAIRPYPJYKND-NSHDSACASA-N 324.333 1.921 5 50 DDBA Cc1cc(C)n(C(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)n1 376004 FQDKQHBDVCGQGT-UHFFFAOYSA-N 315.289 1.934 5 50 DDBA CCCc1[nH]nc(C(=O)N[C@@H]2CN(CC)C[C@H]2C)c1[N+](=O)[O-] 610672988 FJGHJAQNTFCQFK-MWLCHTKSSA-N 309.370 1.340 5 50 DDBA Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)OCCO3)n1 111185 RJRJXYMYBXKXAB-UHFFFAOYSA-N 304.262 1.352 5 50 DDBA Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC1(c2ncon2)CC1 1616034571 PCCHDLJBIFWYAA-UHFFFAOYSA-N 324.318 1.254 5 50 DDBA CCC1(CO)CCN(C(=O)c2ccc(O)c([N+](=O)[O-])c2)CC1 119427048 RCHZRLSDCHJNDA-UHFFFAOYSA-N 308.334 1.925 5 50 DDBA Cn1cc(C[C@@H]2CCC[C@H]2Nc2ncc([N+](=O)[O-])cn2)cn1 585098819 FJWOETMQLPRHBK-WCQYABFASA-N 302.338 1.942 5 50 DDBA COC(=O)c1cc(C(=O)NCc2ccco2)cc([N+](=O)[O-])c1 60858 GVPCAEFXCCCBIQ-UHFFFAOYSA-N 304.258 1.904 5 50 DDBA O=C1[C@@H]2[C@@H](C(=O)N1c1cc([N+](=O)[O-])ccc1O)[C@H]1C=C[C@H]2C1 100668267 NNIFNKFYWKYIBB-XMUKKISLSA-N 300.270 1.612 5 50 DDBA Cc1ccc(OCCOCCN2CCOCC2)c([N+](=O)[O-])c1 20118569 XTWJUQBNGXLPMS-UHFFFAOYSA-N 310.350 1.631 5 50 DDBA C[C@H](O)CN1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 230288646 GERCMQIEIBWJAL-RYUDHWBXSA-N 322.365 1.514 5 50 DDBA O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC(F)(F)C1 408145884 LLSQUXHDVGBRFU-UHFFFAOYSA-N 300.217 1.805 5 50 DDBA C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 4387301 RNQWCRYRLQLXCZ-NXEZZACHSA-N 300.336 1.393 5 50 DDBA C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC[S@@]1=O 242346967 ZKRWVMFFVQCFOQ-BTKVJGODSA-N 312.347 1.284 5 50 DDBA COC[C@@H]1CCOCCN1C(=O)c1ccc([N+](=O)[O-])cc1O 2325874536 PZHGMODFULJSOD-NSHDSACASA-N 310.306 1.178 5 50 DDBA C[C@@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CCN1C1CCCC1 1332008376 ZGBBYJDSBPJNHQ-SNVBAGLBSA-N 306.370 1.420 5 50 DDBA NC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1 264739 PUFYHEXSPYXMCQ-DHZHZOJOSA-N 301.258 1.444 5 50 DDBA O=C1O[C@@H]2C[C@H]3C[C@@H]2[C@H]1[C@@H]3C(=O)Nc1cccc([N+](=O)[O-])c1 5049539 UHCXMHUYYNWACA-UYYQOPGSSA-N 302.286 1.731 5 50 DDBA C[C@@H]1CCc2ccccc2N1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 229838354 QPBBHYOLSDJREN-DOMZBBRYSA-N 316.361 1.994 5 50 DDBA CC(=O)NC1=NN(C(C)=O)[C@](C)(c2ccc([N+](=O)[O-])o2)S1 201306 UOAGPIBBVLPHFT-NSHDSACASA-N 312.307 1.363 5 50 DDBA CC(C)C[C@H](CN)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 109705634 VMFWEIUOGRQDJY-SNVBAGLBSA-N 301.368 1.247 5 50 DDBA Cc1c(NC(=O)NCc2nnc(O)n2C)cccc1[N+](=O)[O-] 583651054 GBKLAUPLSSLSKI-UHFFFAOYSA-N 306.282 1.059 5 50 DDBA CC(C)NC(=O)Cn1ccc2c(c(=O)oc3ccccc32)c1=N 1776111573 DCAUEFBBLKUILF-UHFFFAOYSA-N 311.341 1.752 5 50 DDBA Cn1cnc([N+](=O)[O-])c1N[C@H]1CCN(c2ccc(F)cc2)C1=O 413554361 QESMWUQISSXGLH-NSHDSACASA-N 319.296 1.685 5 50 DDBA O=C(Cn1cc([N+](=O)[O-])cn1)N1C[C@@H](O)C[C@H]1c1ccccc1 413939356 LGCHTNHURNVFCY-KBPBESRZSA-N 316.317 1.126 5 50 DDBA O=C(Nc1ncc([N+](=O)[O-])s1)[C@H]1COc2ccccc2O1 5013949 UJQWTYBGEWAHFC-SECBINFHSA-N 307.287 1.830 5 50 DDBA O=C(O)CCCCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1782100 BGTHORKPEAMAIZ-UHFFFAOYSA-N 316.335 1.518 5 50 DDBA COc1cc(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)cc(OC)c1 2763245 QZBMSPNVRPFDOX-UHFFFAOYSA-N 320.305 1.906 5 50 DDBA O=C(O)Cn1ccc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])n1 122730988 WAVQYWTVJIDRNZ-AATRIKPKSA-N 316.273 1.528 5 50 DDBA O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1CCCOCC1 272002272 RZXFZKIRQBXFQQ-VIFPVBQESA-N 318.326 1.581 5 50 DDBA COC(=O)C[C@@H]1CN(c2cccc(OC)c2[N+](=O)[O-])CCO1 274729311 ZTNDUOUGOWPWBI-SNVBAGLBSA-N 310.306 1.372 5 50 DDBA COc1cc(N2C[C@H](C)[C@@H](N3CCOCC3)C2)ccc1[N+](=O)[O-] 267515371 DBCVWHNGRMIFCA-WFASDCNBSA-N 321.377 1.760 5 50 DDBA C[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 244887828 YPFUMAKGRZTFRY-FJJYHAOUSA-N 300.270 1.428 5 50 DDBA C[Si](C)(C)[C@@]12[C@@H]3[C@@H]4C[C@H]5C(=O)[C@@H](C[C@@H]1C4=O)[C@@]2([N+](=O)[O-])[C@H]35 257355446 ASJGLUFJIUTQQS-MYYNSFHSSA-N 305.406 1.764 5 50 DDBA CN1CC[C@@H]2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)[C@H]2C1 239667336 BPPMEPUCCMZZBC-HIFRSBDPSA-N 303.362 1.690 5 50 DDBA CN(C)S(=O)(=NC(=O)Cc1ccccc1[N+](=O)[O-])N(C)C 1775991205 JNCXFRWTQJFTCV-UHFFFAOYSA-N 314.367 1.085 5 50 DDBA Cc1nc(O)c2c(n1)CN(c1ncc([N+](=O)[O-])cc1Cl)C2 585132741 RLAMYAXEOARVBB-UHFFFAOYSA-N 307.697 1.967 5 50 DDBA COC(=O)C1CCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 455699 UZLQSSKSRXFGHR-UHFFFAOYSA-N 322.317 1.629 5 50 DDBA CC1(C)C[C@H](O)CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 585131167 NNBOZBVBDWDRND-SNVBAGLBSA-N 308.338 1.195 5 50 DDBA C[C@H]1CN(C(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 13153982 KPFVVPVDDOEMPD-AOOOYVTPSA-N 323.374 1.719 5 50 DDBA O=C(c1cccnc1O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 188584893 JUBQONSIVKKWIW-UHFFFAOYSA-N 315.285 1.599 5 50 DDBA N[C@H]1CCC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 420462900 IJCLEBICXAIRFR-QWRGUYRKSA-N 313.379 1.391 5 50 DDBA COc1ccc([N+](=O)[O-])cc1NC(=O)CCNC1(CO)CCC1 952877365 OWWFINPXRMEFNF-UHFFFAOYSA-N 323.349 1.437 5 50 DDBA COc1ccc(NC(=O)CSc2ncn[nH]2)c([N+](=O)[O-])c1 13152873 AYRNDZCWAYEJPK-UHFFFAOYSA-N 309.307 1.452 5 50 DDBA C[C@@H]1CN(C(=S)NC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 2902264 PGLWMWSPUUOAMJ-NXEZZACHSA-N 323.374 1.719 5 50 DDBA COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 100184296 DBERPQOTGLWBFM-WBRVRECLSA-N 314.297 1.915 5 50 DDBA O=C1CCC(=O)N1CCCNc1c(F)cc([N+](=O)[O-])cc1F 269680009 ZQDKNHUAKAGDAL-UHFFFAOYSA-N 313.260 1.824 5 50 DDBA Cc1ccc([C@@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])N(C)C)cc1 170617938 IYHPRBVUOFZLMU-CYBMUJFWSA-N 317.349 1.659 5 50 DDBA O=C(c1cnns1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 188585224 XCYRQBDQAPFWKS-UHFFFAOYSA-N 306.303 1.350 5 50 DDBA O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCOCC1 4619219 SSFKJZWOFJZTRE-UHFFFAOYSA-N 305.334 1.667 5 50 DDBA CCn1cc(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 14226886 CVBRAASTWJVXPX-UHFFFAOYSA-N 324.362 1.632 5 50 DDBA COc1cccc([N+](=O)[O-])c1NC(=O)COC[C@@H]1CCCO1 585124766 RBDBEFPGHDULAX-JTQLQIEISA-N 310.306 1.738 5 50 DDBA O=C(NCCN1CCOCC1)c1ccc([N+](=O)[O-])cc1Cl 19606597 SSUMCCGGAKFUGT-UHFFFAOYSA-N 313.741 1.310 5 50 DDBA Cc1ncc(NC(=O)Cn2cc([N+](=O)[O-])cn2)c(C2CC2)n1 339196703 BJQICHINTWRPRT-UHFFFAOYSA-N 302.294 1.406 5 50 DDBA NS(=O)(=O)c1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 3898953 ONGYTNMMHWRJAT-UHFFFAOYSA-N 321.314 1.495 5 50 DDBA Cc1nc(=N)n(C2CCN(c3nccc(C)c3[N+](=O)[O-])CC2)[nH]1 1776006614 YGTTWOGQSREWGO-UHFFFAOYSA-N 317.353 1.452 5 50 DDBA COc1cccc(CNC(=O)Cn2nc([N+](=O)[O-])cc2C)c1 4753340 SFQCZSBKFZRQQA-UHFFFAOYSA-N 304.306 1.425 5 50 DDBA Cc1ccc(C(=O)NC(=S)NC[C@H]2CCCO2)cc1[N+](=O)[O-] 1049949 DSLHGAGNBVJENP-LLVKDONJSA-N 323.374 1.687 5 50 DDBA O=C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])n1nnc2ccccc21 2779486 OOSNFDIYOVAUKI-UHFFFAOYSA-N 313.229 1.936 5 50 DDBA Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H](CN2CC[C@H](O)C2)C1 585132697 NBXLOWUAFOVJCH-ZFWWWQNUSA-N 320.393 1.581 5 50 DDBA O=[N+]([O-])c1cccc(S(=O)(=O)NCCCN2CCCC2)c1 10450154 ZEFURHWIMQRQIV-UHFFFAOYSA-N 313.379 1.359 5 50 DDBA C[C@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc2O1 229836607 ZLLCHMBWSIMHGJ-WCQYABFASA-N 318.333 1.440 5 50 DDBA Cn1nccc1C1(O)CCN(c2ccc([N+](=O)[O-])cc2F)CC1 952991764 DXUGPYVOGZKRBU-UHFFFAOYSA-N 320.324 1.955 5 50 DDBA COC[C@]1(CNc2ncc([N+](=O)[O-])cc2Cl)CCCN1 261696762 IBGONLGZGNOGMT-GFCCVEGCSA-N 300.746 1.824 5 50 DDBA CC(C)(C)N1OC[C@@H]2CO[C@@](O)(c3ccc([N+](=O)[O-])cc3)[C@H]21 248251645 SMEISUOGAMZPQO-XEGUGMAKSA-N 308.334 1.801 5 50 DDBA O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@H](c2ccccn2)C1 408518593 PNRNFHUSKJPLOC-LBPRGKRZSA-N 315.333 1.593 5 50 DDBA CC[C@H](Sc1nnnn1C)C(=O)Nc1cccc([N+](=O)[O-])c1 621684 PMIAANYWSLKYKY-JTQLQIEISA-N 322.350 1.628 5 50 DDBA Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCN1C(=O)CCC1=O 2866812 RFVUKEZCMPXNHZ-UHFFFAOYSA-N 319.317 1.771 5 50 DDBA Cc1cc([N+](=O)[O-])cc2c1NC(=O)[C@@]2(O)N1CCC[C@@H](C)C1 169293713 BQFKSLBLOMEADE-RFAUZJTJSA-N 305.334 1.732 5 50 DDBA CSc1sc2cc([N+](=O)[O-])c(S(=O)(=O)O)cc2[n+]1C 3199711 COGFGCYMYZELNH-UHFFFAOYSA-O 321.381 1.603 5 50 DDBA O=[N+]([O-])c1cc(Br)cnc1N1CC[C@H](CO)C1 35270418 HDLFBYXQADTACU-ZETCQYMHSA-N 302.128 1.571 5 50 DDBA in-vitro O=[N+]([O-])c1cc([N+](=O)[O-])c(N2CCCCC2)cc1NCCO 3880486 YPQLLDKYTMPTKT-UHFFFAOYSA-N 310.310 1.898 5 50 DDBA CO[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CC[C@H]1C 170603475 CCZXTRATEUKDFX-BXUZGUMPSA-N 308.334 1.857 5 50 DDBA CCn1cc([C@@H](C)NC(=O)Cn2cc([N+](=O)[O-])cn2)c(C)n1 374949 LWZNBSOFIINEIO-SECBINFHSA-N 306.326 1.194 5 50 DDBA O=c1c(Br)cc([N+](=O)[O-])cn1Cc1cccnc1 240321536 FAEAPKZSVUWKJP-UHFFFAOYSA-N 310.107 1.962 5 50 DDBA O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H]1CO 133297204 NMZKQCHJGDHISB-LBPRGKRZSA-N 303.318 1.602 5 50 DDBA CCN1CCN(C2CN(c3nccc(C)c3[N+](=O)[O-])C2)CC1 1334439677 MDADJMUDOWGDJJ-UHFFFAOYSA-N 305.382 1.124 5 50 DDBA COc1cc(CN2CCN3CCC[C@H]3[C@H]2C)cc([N+](=O)[O-])c1O 43164445 FKQRJXJILFLYQQ-YPMHNXCESA-N 321.377 1.978 5 50 DDBA COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100178698 ONVNFFHNCFENJI-LBLXLQPISA-N 314.297 1.915 5 50 DDBA CN1CCO[C@@H](CN(C)c2ccc3cnccc3c2[N+](=O)[O-])C1 599040421 OVJCRINPJZCBGJ-CYBMUJFWSA-N 316.361 1.910 5 50 DDBA O=C(O)CC[C@@H](Nc1sc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O 5369337 OGBMJLZFOXXKAR-SCSAIBSYSA-N 319.251 1.294 5 50 DDBA CCn1c(=O)n(CC)c2cc([N+](=O)[O-])c(N3CCNCC3)cc21 4458466 WRQKKSXNXWTCCZ-UHFFFAOYSA-N 319.365 1.161 5 50 DDBA Cc1ccc(S(=O)(=O)Nc2ccc(O)nn2)cc1[N+](=O)[O-] 170600116 HCTOISGUERECHP-UHFFFAOYSA-N 310.291 1.200 5 50 DDBA Cn1cc(C[C@H]2CCC[C@@H]2Nc2ncc([N+](=O)[O-])cn2)cn1 585098820 FJWOETMQLPRHBK-YPMHNXCESA-N 302.338 1.942 5 50 DDBA CCOc1ccc(C(=O)Cn2cccnc2=N)cc1[N+](=O)[O-] 22018574 GZECJULRUVIDSG-UHFFFAOYSA-N 302.290 1.552 5 50 DDBA COc1nc(C)cc(C)c1CN=c1nc(N)c([N+](=O)[O-])c[nH]1 608975216 XREIPMPCJKQAAL-UHFFFAOYSA-N 304.310 1.021 5 50 DDBA C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H](O)CC1 293061544 IMNDROKKUWQIEM-FZMZJTMJSA-N 307.350 1.769 5 50 DDBA O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[C@@H]1COCCO1 585128915 QXWUVAGSRIGTED-JTQLQIEISA-N 318.688 1.419 5 50 DDBA CCN1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 1786804 BMMLHYVLHAFTBK-UHFFFAOYSA-N 308.294 1.281 5 50 DDBA O=C(CSc1nc2ccccc2o1)Nc1nonc1[N+](=O)[O-] 12360437 AHWRFPXYIBHVBW-UHFFFAOYSA-N 321.274 1.850 5 50 DDBA Cc1nn(CC(=O)Nc2ccc(C(=O)O)cc2)cc1[N+](=O)[O-] 2807961 WXBGAXUUAKDMAK-UHFFFAOYSA-N 304.262 1.437 5 50 DDBA CN(C)S(=O)(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 340728903 XTHDHNZOWVDRSK-UHFFFAOYSA-N 324.156 1.576 5 50 DDBA COC(=O)CCCOc1cc([N+](=O)[O-])c([C@H](C)N)cc1OC 142937007 CNACOGPNYKMMRO-VIFPVBQESA-N 312.322 1.955 5 50 DDBA Cc1ccnc(N2CCC[C@@H](c3nc(=N)n(C)[nH]3)C2)c1[N+](=O)[O-] 1776005105 BFEUJFNHRJUGPB-SNVBAGLBSA-N 317.353 1.223 5 50 DDBA Cc1ccc(S(=O)(=O)NCc2ccccn2)cc1[N+](=O)[O-] 3880617 HWPKIJDJKWDBAA-UHFFFAOYSA-N 307.331 1.777 5 50 DDBA Nc1c(C(=O)O)c2nc3c(C(=O)O)cccc3oc-2cc1=O 4096852 FSBKJYLVDRVPTK-UHFFFAOYSA-N 300.226 1.271 5 50 DDBA endogenous,in-man O=[N+]([O-])c1cnc(N2CCOC[C@H]2Cc2ccccc2)nc1 354593951 KWGXUTIPIDCMHY-CYBMUJFWSA-N 300.318 1.833 5 50 DDBA Cc1ccc(N2CCN(c3c([N+](=O)[O-])c(C)nn3C)CC2=O)o1 242273610 YEKMZAMOWSSDFS-UHFFFAOYSA-N 319.321 1.391 5 50 DDBA COC(=O)Cc1ccc(N2CCC(OC)CC2)c([N+](=O)[O-])c1 296624303 VFGBIILWRVWCAE-UHFFFAOYSA-N 308.334 1.926 5 50 DDBA Cc1cn2c(n1)CC[C@H](CN(C)c1cnc([N+](=O)[O-])c(O)c1)C2 1776006590 YBTOUBWONGHTOP-LLVKDONJSA-N 317.349 1.899 5 50 DDBA Cc1nn(C)c(NCc2ccc3[nH]c(=O)[nH]c3c2)c1[N+](=O)[O-] 170594149 YABMCGMEOWGPAE-UHFFFAOYSA-N 302.294 1.418 5 50 DDBA Cn1ccc(N2CCC[C@@H](Nc3ncc([N+](=O)[O-])s3)C2=O)n1 192467897 VFLMWJQSXJCDPI-MRVPVSSYSA-N 322.350 1.392 5 50 DDBA O=[N+]([O-])c1ccc(CN2CCC[C@@H](CN3CC[C@H](O)C3)C2)cc1 585133209 ASUHABSOCMBFGM-WBVHZDCISA-N 319.405 1.873 5 50 DDBA COc1ccc(NC(=O)N2CCC3(C2)OCCO3)c([N+](=O)[O-])c1 584906835 LHXZURYHPATFII-UHFFFAOYSA-N 323.305 1.584 5 50 DDBA CCOC(=O)c1n[nH]c([C@H](C)Nc2ncccc2[N+](=O)[O-])n1 585093024 YNXPMGAJMPWTRR-ZETCQYMHSA-N 306.282 1.458 5 50 DDBA CCOC(=O)C1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 3884033 JDNLLSPTEVFQIK-UHFFFAOYSA-N 321.333 1.473 5 50 DDBA C[C@@]1([N+](=O)[O-])CS(=O)(=O)C[C@@]1(C)C(=O)Oc1ccccc1 4991926 AYSGFCYSJDXKLE-QWHCGFSZSA-N 313.331 1.062 5 50 DDBA COCCOCCNC(=O)c1c(F)c(C)cc([N+](=O)[O-])c1F 320292755 CTWMFTNEQNMRRB-UHFFFAOYSA-N 318.276 1.574 5 50 DDBA COc1cc(N2CCN(c3ncccn3)CC2)ccc1[N+](=O)[O-] 266154930 UTENIGHCFDQXQD-UHFFFAOYSA-N 315.333 1.720 5 50 DDBA CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1O 170599184 XWYDDLVIRDDWFG-DGCLKSJQSA-N 319.361 1.999 5 50 DDBA COc1ccc(NC(=O)CSc2nncn2C)c([N+](=O)[O-])c1 4743573 GBUVRKPQGZADOS-UHFFFAOYSA-N 323.334 1.463 5 50 DDBA Cc1ccc(NC(=O)C[C@H]2SC(=N)NC2=O)c([N+](=O)[O-])c1 4158992 JIOFUECAYWENNF-SECBINFHSA-N 308.319 1.398 5 50 DDBA CC(C)[C@@H](NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)C(N)=O 863981659 FFRZEPHWYUUVPR-SNVBAGLBSA-N 317.704 1.627 5 50 DDBA O=C(Cn1ncc2ccccc2c1=O)Nc1cccc([N+](=O)[O-])c1 552526 JTDVZDZZKTUAMP-UHFFFAOYSA-N 324.296 1.943 5 50 DDBA O=[N+]([O-])c1ccccc1S(=O)(=O)n1nnc2ccccc21 1225895 GWDIYKVTXUNCMX-UHFFFAOYSA-N 304.287 1.577 5 50 DDBA CC[S@](=O)CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 134645334 WDIPBESFURGFMV-OAQYLSRUSA-N 311.363 1.660 5 50 DDBA CC(C)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 35585200 NENONYOEPNGZKL-UHFFFAOYSA-N 313.379 1.310 5 50 DDBA Cc1noc(C)c1CCNC(=O)c1cc([N+](=O)[O-])ccc1O 179486462 FQCABCMIOPAAAQ-UHFFFAOYSA-N 305.290 1.878 5 50 DDBA O=[N+]([O-])c1cc(F)c(N2CCOCC2)cc1N1CCOCC1 4183903 YDNYKVOHGQADKT-UHFFFAOYSA-N 311.313 1.407 5 50 DDBA CCn1nc(C)c([N+](=O)[O-])c1NCCc1cccc(C(N)=O)c1 192558100 SWDLZXOULDZEHZ-UHFFFAOYSA-N 317.349 1.873 5 50 DDBA O=[N+]([O-])c1ccc2c(c1)nc1n2CCN(C[C@H]2CCCO2)C1 19874483 PHPVAMBUKIDZHF-GFCCVEGCSA-N 302.334 1.939 5 50 DDBA Cc1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)nc(=O)[nH]1 170593883 LZUPJUSCPMZEHT-UHFFFAOYSA-N 302.290 1.476 5 50 DDBA CCOC(=O)C(C(=O)OCC)[C@@H](C[N+](=O)[O-])c1ccccc1 1758034 VQKSJEVJSPWVIE-LBPRGKRZSA-N 309.318 1.789 5 50 DDBA O=C1C(N2CCOCC2)=CCCN1c1ccc([N+](=O)[O-])cc1 100004338 LBFAEOWNWSDWRZ-UHFFFAOYSA-N 303.318 1.548 5 50 DDBA CCN(CC)S(=O)(=O)c1ccc(-n2cccn2)c([N+](=O)[O-])c1 1616022430 UBTNURFRSHEZGQ-UHFFFAOYSA-N 324.362 1.811 5 50 DDBA Nc1ccc([N+](=O)[O-])c(N2CCCN(C(=O)C3CC3)CC2)c1 193521596 KDHVVYXOOGWWCN-UHFFFAOYSA-N 304.350 1.626 5 50 DDBA CN1CC[C@H]1CNC(=O)c1cc(Br)c([N+](=O)[O-])[nH]1 2325797277 ZWWXGEOZKNQLSA-LURJTMIESA-N 317.143 1.119 5 50 DDBA Cc1cc(S(=O)(=O)NCCCCCO)cc([N+](=O)[O-])c1F 225733124 WFKPWBWJYWWKAW-UHFFFAOYSA-N 320.342 1.483 5 50 DDBA CC(C)NS(=O)(=O)CCNc1c(F)cc([N+](=O)[O-])cc1F 178870431 PZHKLWKASGXANO-UHFFFAOYSA-N 323.321 1.613 5 50 DDBA CC1(C)C[C@@H](NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 408519495 HCTTWAKLFQSAGB-WCQYABFASA-N 308.334 1.702 5 50 DDBA C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[S@]1=O 252484126 FPDQMMYELPXMOZ-CHNSCGDPSA-N 311.363 1.970 5 50 DDBA CN1CCN(CCn2ccc([N+](=O)[O-])n2)[C@@H](c2ccccc2)C1 222149451 AYXFBAVAPSXAEY-OAHLLOKOSA-N 315.377 1.780 5 50 DDBA COC(=O)c1cnc(NCc2cc(OC)no2)c([N+](=O)[O-])c1 585118028 UAVNUFIWCFBGLN-UHFFFAOYSA-N 308.250 1.385 5 50 DDBA O=C(NC(=S)NCc1cccnc1)c1ccccc1[N+](=O)[O-] 453474 IJSRIMCREDXFNL-UHFFFAOYSA-N 316.342 1.794 5 50 DDBA COC(=O)C(C(=O)OC)[C@@H](C[N+](=O)[O-])c1ccc(OC)cc1 1762515 SODLTWNUTJKLEG-NSHDSACASA-N 311.290 1.018 5 50 DDBA CCn1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 2781638 AKSWSGDBRSQQAM-UHFFFAOYSA-N 310.335 1.290 5 50 DDBA Cc1cc(N2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)ccc1[N+](=O)[O-] 223974636 RDDVIYKELNKEAQ-NDBYEHHHSA-N 302.286 1.570 5 50 DDBA Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C[C@@]3(C)O2)cc1[N+](=O)[O-] 139356818 HAOQAKSTJMZPAN-OQMKEHIESA-N 314.297 1.736 5 50 DDBA O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1n1cnnc1 344201 YUCVCTHRXHEDMI-UHFFFAOYSA-N 309.241 1.272 5 50 DDBA CCS(=O)(=O)NCCCNc1c(C)cccc1[N+](=O)[O-] 170619468 GACKZZPZDKMYBU-UHFFFAOYSA-N 301.368 1.645 5 50 DDBA N=c1ccc([N+](=O)[O-])cn1CC(=O)c1cccc([N+](=O)[O-])c1 100292136 HYVYMGWGDQMRPR-UHFFFAOYSA-N 302.246 1.667 5 50 DDBA CN(c1cccc(O)c1)S(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 319378048 ITSOUISTNDNMFE-UHFFFAOYSA-N 324.314 1.831 5 50 DDBA O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1cccc([N+](=O)[O-])c1O 230181628 OFZOSGKWAWJJJI-NDMJEZRESA-N 306.318 1.988 5 50 DDBA O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@@H](CO)[C@H](O)C1 170091032 MQIKRCTVGFTIAB-QPUJVOFHSA-N 320.267 1.793 5 50 DDBA CON(C[C@H]1CCOC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 888096922 VWEPNOUKCGUOAD-SNVBAGLBSA-N 316.335 1.183 5 50 DDBA Cc1ccnc(N2CCN(c3nnc(C)n3C)CC2)c1[N+](=O)[O-] 585092247 LJMDXQVFIHUJGH-UHFFFAOYSA-N 317.353 1.062 5 50 DDBA C[C@@H](CCO)CCNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 596256797 HDRNLSHIWKIZBK-SECBINFHSA-N 317.367 1.063 5 50 DDBA O=C(c1cscn1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 188482392 QCHSQCXRTRHIQP-UHFFFAOYSA-N 305.315 1.955 5 50 DDBA O=C1C[C@@H](N2CCCCC2)C(=O)N1c1cccc([N+](=O)[O-])c1 19890900 YWUOUFBHZFMLNO-CYBMUJFWSA-N 303.318 1.713 5 50 DDBA O=C(C[C@H](C(=O)O)N1CCCCC1)Nc1cccc([N+](=O)[O-])c1 3890089 DLDZOGIUOZNIEE-CYBMUJFWSA-N 321.333 1.863 5 50 DDBA O=[N+]([O-])c1cc(O)c2ccc(S(=O)(=O)O)cc2c1[N+](=O)[O-] 4086961 LJCNVMFADAYSQY-UHFFFAOYSA-N 314.231 1.609 5 50 DDBA Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)C(=O)O)cc1Cl 4517807 LIJWFPDPQCHRKR-LURJTMIESA-N 322.726 1.308 5 50 DDBA CCOC(=O)[C@H]1CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1F 344874661 BKVQYVXXTBNJEJ-CYBMUJFWSA-N 324.308 1.831 5 50 DDBA CCCC[C@@H](CN)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 150323998 VCBGDIYFTFHZEJ-JTQLQIEISA-N 301.368 1.391 5 50 DDBA Cc1c[nH]nc1CNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] 1875269904 GWBLIDROGPOKTG-UHFFFAOYSA-N 310.335 1.413 5 50 DDBA Cc1c(C)[n+]([O-])c(-c2cccc([N+](=O)[O-])c2O)n1CC(=O)O 110169792 DDJKPNLZGNFYRI-UHFFFAOYSA-N 307.262 1.104 5 50 DDBA Nc1nonc1-c1noc(COc2ccc([N+](=O)[O-])cc2)n1 3672568 IHOHRYQOYVGXCT-UHFFFAOYSA-N 304.222 1.189 5 50 DDBA Nc1n[nH]c(CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 328593878 UNPQYIWLEJWCLA-UHFFFAOYSA-N 316.243 1.969 5 50 DDBA Cc1nn(CC(=O)NCCc2ccccc2)c(C)c1[N+](=O)[O-] 197061 WKKZWEGRRUDACT-UHFFFAOYSA-N 302.334 1.767 5 50 DDBA O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2ncccn2)CC1 373814 NYJNVZXYNPDHLE-UHFFFAOYSA-N 313.317 1.347 5 50 DDBA CCCn1nnc(NC(=O)COc2ccc([N+](=O)[O-])cc2)n1 470955 ATQQTKGOSAOAQI-UHFFFAOYSA-N 306.282 1.009 5 50 DDBA O=[N+]([O-])c1c(N2C[C@@H]3CCC[C@H](C2)C3O)nc2ccccn12 169987966 FLAACWOIJIQHEL-QYJAPNMZSA-N 302.334 1.840 5 50 DDBA CC(=O)N1C(=O)C[C@H](C)N(C(C)=O)c2ccc([N+](=O)[O-])cc21 4007236 KBXQKTSZOCALKF-QMMMGPOBSA-N 305.290 1.619 5 50 DDBA CC(=O)Nc1ccc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])cc1 4501623 ZMUVFOJMPJAQCL-QPJJXVBHSA-N 316.273 1.513 5 50 DDBA CCc1[nH]nc(C(=O)Nc2nc3c(s2)COCC3)c1[N+](=O)[O-] 264680834 PFOUXJNKOQJVLV-UHFFFAOYSA-N 323.334 1.662 5 50 DDBA CCOC[C@@H]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 328597060 CZIPJCRLRGKVCK-RISCZKNCSA-N 308.334 1.513 5 50 DDBA O=C(CC1CCC1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 1875323850 BOUOWQABJUEWBD-UHFFFAOYSA-N 316.310 1.729 5 50 DDBA CCOC(=O)CN(c1ccc(C)cc1[N+](=O)[O-])S(C)(=O)=O 1772574306 YUUWOUYAKSCDEL-UHFFFAOYSA-N 316.335 1.232 5 50 DDBA CS(=O)(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 4543680 ACUVKAHEKMVRGV-UHFFFAOYSA-N 319.770 1.330 5 50 DDBA NS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1 2496589 SAYHLTLNKTVJLR-UHFFFAOYSA-N 311.275 1.088 5 50 DDBA NS(=O)(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 4158826 XUBGTWFRKMILMC-UHFFFAOYSA-N 307.331 1.854 5 50 DDBA O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([C@@H](O)c2ccccc2)CC1 229797408 GYJQTSBVQZWZCD-KFWWJZLASA-N 304.346 1.624 5 50 DDBA O=[N+]([O-])c1cc2c(cc1I)OCCO2 4071460 XRUJUSWPWCWXNL-UHFFFAOYSA-N 307.043 1.971 5 50 DDBA O=C(C[C@H](NC1CCCC1)C(=O)O)Nc1cccc([N+](=O)[O-])c1 4280090 YMLSRFFCXWAGGX-ZDUSSCGKSA-N 321.333 1.909 5 50 DDBA CCSc1nnc(NC(=O)c2nn(C)cc2[N+](=O)[O-])s1 2779241 GAUGRPLGEXBBOB-UHFFFAOYSA-N 314.352 1.544 5 50 DDBA Cc1ccc([N+](=O)[O-])c(N2CCN(C(=O)c3ccco3)CC2)n1 178147055 GBRPGLMAJQUTFM-UHFFFAOYSA-N 316.317 1.854 5 50 DDBA Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(=O)[C@H]1CC1(F)F 1875265725 RKZAAONGBSKAFA-MRVPVSSYSA-N 320.273 1.363 5 50 DDBA CCS(=O)(=O)CCN(C)Cc1cc(F)ccc1[N+](=O)[O-] 179120872 BMWBNYCARDOFJM-UHFFFAOYSA-N 304.343 1.600 5 50 DDBA Cn1nc([N+](=O)[O-])cc1C(=O)NCCc1nc2ccccc2[nH]1 4626006 ORKWEZXLZOFSOE-UHFFFAOYSA-N 314.305 1.177 5 50 DDBA CC1CC(NS(=O)(=O)c2cc([N+](=O)[O-])cnc2Cl)C1 1615606503 ZNKQGTXBOXPSIA-UHFFFAOYSA-N 305.743 1.720 5 50 DDBA O=C(NC1CCCCC1)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 252678625 GLBHYCZAOCSYMW-MRVWCRGKSA-N 323.393 1.339 5 50 DDBA O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CCCn1ccnc1 536140 DTLNIJCRPKLODR-UHFFFAOYSA-N 300.274 1.478 5 50 DDBA CCn1nc(C)c([N+](=O)[O-])c1NCCc1ccc(O)c(CO)c1 1187496011 DJRCSVJBGOVEIU-UHFFFAOYSA-N 320.349 1.972 5 50 DDBA COc1ccc([C@H](C)NC(=O)[C@@H]2CN[C@@H](C)C2)cc1[N+](=O)[O-] 2325827940 UWPJVCZCRHWTPU-NHCYSSNCSA-N 307.350 1.779 5 50 DDBA CC(=O)Nc1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 1069816 VOICPWRAFJBAEV-UHFFFAOYSA-N 303.278 1.388 5 50 DDBA C[C@H]1CN(c2ncc([N+](=O)[O-])cc2F)C[C@@H]1N1CCOCC1 408466147 IPFDKHFFFDLKRC-GWCFXTLKSA-N 310.329 1.286 5 50 DDBA COC(=O)[C@]1(C)CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@H]1C 239782430 COMSDNYODOBYME-RFAUZJTJSA-N 321.333 1.448 5 50 DDBA O=C1NC2(CCC2)C(=O)N1Cc1c(F)cc([N+](=O)[O-])cc1F 285313784 WYDHRTXSMPJBDU-UHFFFAOYSA-N 311.244 1.848 5 50 DDBA C[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@@H](C)[S@@]1=O 1875262692 HVFXKJLUTWKOEL-DOJKMWFOSA-N 312.347 1.282 5 50 DDBA CNC(=O)[C@@H]1CCC[C@@H]1Nc1c(C(=O)OC)cccc1[N+](=O)[O-] 585093038 ZIUMJSIEZPDDHZ-KOLCDFICSA-N 321.333 1.708 5 50 DDBA CC1=C(C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)CCO1 1875316298 HCXUESWSSMHRTB-UHFFFAOYSA-N 302.290 1.782 5 50 DDBA CC(C)(C)OC(=O)[C@H]1COCCN1c1ncccc1[N+](=O)[O-] 585092750 MJTRZGWTCJDMRH-LLVKDONJSA-N 309.322 1.537 5 50 DDBA CN1CCN(c2cc(N3CCOCC3)c([N+](=O)[O-])cc2F)CC1 4192058 WHTWYXUMPPJYRP-UHFFFAOYSA-N 324.356 1.322 5 50 DDBA C[C@H](C(=O)NCCCN1CCOCC1)c1ccc([N+](=O)[O-])cc1 20272839 UJGNUOANKRWMHP-ZDUSSCGKSA-N 321.377 1.537 5 50 DDBA CCOc1ccccc1CNC(=O)c1[nH]nc(OC)c1[N+](=O)[O-] 4631395 FXHGRZZKIXSSSX-UHFFFAOYSA-N 320.305 1.655 5 50 DDBA COc1cccc(CNC(=O)CCCn2cc([N+](=O)[O-])cn2)c1 4753646 PJJHVVSDOJQHDH-UHFFFAOYSA-N 318.333 1.897 5 50 DDBA CCNS(=O)(=O)c1ccc(NCCOCC)c([N+](=O)[O-])c1 1875298339 XTFGTIQZTHXPJC-UHFFFAOYSA-N 317.367 1.341 5 50 DDBA COc1ccc(CNC(=O)Cn2cc([N+](=O)[O-])nc2C)cc1 88450 QLKNPJMXHOPWAD-UHFFFAOYSA-N 304.306 1.425 5 50 DDBA COC(=O)C(=Cc1cc(OC)c(O)c([N+](=O)[O-])c1)C(=O)OC 35391944 HUDFMIAEJVASQA-UHFFFAOYSA-N 311.246 1.038 5 50 DDBA O=[N+]([O-])c1ccccc1OCCn1cnc(C2(O)CCC2)n1 1615587896 VDMKXTVHEUSRDF-UHFFFAOYSA-N 304.306 1.637 5 50 DDBA COC(=O)c1ccc(NC(=O)Cn2c([N+](=O)[O-])cnc2C)cc1 105879 IRXDSXUSXPEWMJ-UHFFFAOYSA-N 318.289 1.525 5 50 DDBA CC(=O)Nc1ccc(NC(=O)[C@H](C)n2cc([N+](=O)[O-])cn2)cc1 4686729 KWCBWGAYQGQNFC-VIFPVBQESA-N 317.305 1.949 5 50 DDBA O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H]2CCc3c(O)cccc32)c1 296962557 YIRUTSBKPVIQOW-FZMZJTMJSA-N 318.333 1.135 5 50 DDBA Nc1c(I)cc([N+](=O)[O-])cc1C(=O)O 91692397 VKNLWOAEKSUWLH-UHFFFAOYSA-N 308.031 1.480 5 50 DDBA in-vitro Cn1cnc([N+](=O)[O-])c1NC(=O)CSC[C@H]1CCCCO1 585124613 JMJDEVDQJSVGEK-SECBINFHSA-N 314.367 1.569 5 50 DDBA CC(=O)Nc1ccc(NC(=O)c2c([N+](=O)[O-])cnn2C)cc1 51665 JHJTVSUUSXVKHM-UHFFFAOYSA-N 303.278 1.539 5 50 DDBA Cc1cc([N+](=O)[O-])nn1CCNC(=O)c1noc2c1CCCC2 2808709 HUDOSLRUCIWEKD-UHFFFAOYSA-N 319.321 1.397 5 50 DDBA O=C(O)[C@H]1CCCCN1C(=O)COc1cccc([N+](=O)[O-])c1 261711202 PFIQRMYXXZWYIY-GFCCVEGCSA-N 308.290 1.439 5 50 DDBA CC(C)C[C@H]1C(=O)NCCN1C(=O)c1cc([N+](=O)[O-])ccc1F 408514293 DHQVTROHBCSNFV-ZDUSSCGKSA-N 323.324 1.721 5 50 DDBA Cc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@@H](CN(C)C)C1 194720724 IFWPJIBDUUVRFA-LBPRGKRZSA-N 307.350 1.306 5 50 DDBA COc1cc([C@@H]2NC(=O)CC[C@H]2[N+](=O)[O-])cc(Cl)c1O 85972 RTXKQSOCNPKWMF-KCJUWKMLSA-N 300.698 1.651 5 50 DDBA Cn1nc([N+](=O)[O-])cc1-c1nc(-c2ccc3c(c2)OCO3)no1 4745634 ZQTXMJFVYGNPPC-UHFFFAOYSA-N 315.245 1.774 5 50 DDBA Cc1c([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c2c1CN1CCCC1 17349 WPTFOEGLXOPQJT-UHFFFAOYSA-N 304.306 1.029 5 50 DDBA in-vitro CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc([N+](=O)[O-])cc1 292542 YLJXVEYHCWPYIA-GFCCVEGCSA-N 321.358 1.951 5 50 DDBA Cc1c(CN2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)cccc1[N+](=O)[O-] 253417513 KOBLQAYNPXJBCH-GXTWGEPZSA-N 310.375 1.522 5 50 DDBA CC(C)C[C@H](N)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 236664344 RCFKGERJTIBUQQ-ZDUSSCGKSA-N 320.393 1.617 5 50 DDBA Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H](CN2CC[C@H](O)C2)C1 585132695 NBXLOWUAFOVJCH-HIFRSBDPSA-N 320.393 1.581 5 50 DDBA O=[N+]([O-])c1ccc(N2CCC(N3CC(O)C3)CC2)c(Cl)c1 1775999801 YLLWHZRLLDABHO-UHFFFAOYSA-N 311.769 1.894 5 50 DDBA Cc1cc2ncn(C[C@H](O)Cn3ccc([N+](=O)[O-])n3)c2cc1C 170691898 UTIVURMLEJZCGG-LBPRGKRZSA-N 315.333 1.819 5 50 DDBA CCOC(=O)c1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 1068005 DBMAQTPDWCPTQE-UHFFFAOYSA-N 318.289 1.607 5 50 DDBA O=c1c[n+]([O-])c2ccccc2n1OCc1ccccc1[N+](=O)[O-] 2845819 OZEPNOHOSFWRII-UHFFFAOYSA-N 313.269 1.172 5 50 DDBA O=C(N[C@@H]1CCO[C@H](C2CC2)C1)c1cc([N+](=O)[O-])ccc1O 157085629 KIWOBGGOKURTFZ-YGRLFVJLSA-N 306.318 1.988 5 50 DDBA Cc1cc(NC(=O)N[C@H]2CCc3ncnn3C2)ccc1[N+](=O)[O-] 133435767 ADPDDMPREJIJSD-NSHDSACASA-N 316.321 1.631 5 50 DDBA NC(=O)C1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 1157385 JAKGPBPZTPBGJA-ZZXKWVIFSA-N 303.318 1.332 5 50 DDBA Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(=O)[C@@H]1CC1(F)F 1875265726 RKZAAONGBSKAFA-QMMMGPOBSA-N 320.273 1.363 5 50 DDBA COc1ccccc1CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl 12649303 QTEHBCKRJVZBLZ-UHFFFAOYSA-N 310.697 1.910 5 50 DDBA COC(=O)C1(CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 585089538 VJMJOFSFGJQZOS-UHFFFAOYSA-N 310.281 1.346 5 50 DDBA O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC=C(c2ccccn2)C1 408518502 KXTWIKPRSNSQCC-UHFFFAOYSA-N 313.317 1.502 5 50 DDBA O=C(O)[C@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 222236758 XGHKLCSMNZGIHH-WYUUTHIRSA-N 322.248 1.327 5 50 DDBA COC(=O)c1cc([N+](=O)[O-])cc(I)c1O 950733953 TYXZFXVSRQYVPR-UHFFFAOYSA-N 323.042 1.692 5 50 DDBA Cc1cc(OCCOCCNCCN(C)C)ccc1[N+](=O)[O-] 5049100 QPGYSWVQVRGYQA-UHFFFAOYSA-N 311.382 1.450 5 50 DDBA CN(Cc1ccccc1)[C@@]1(O)C(=O)Nc2ccc([N+](=O)[O-])cc21 4842942 RHRCUQWMZZRHPK-INIZCTEOSA-N 313.313 1.824 5 50 DDBA O=C(O)c1c(Br)cc([N+](=O)[O-])c(O)c1[N+](=O)[O-] 725328076 VPNWMJFSVDYQCP-UHFFFAOYSA-N 307.012 1.669 5 50 DDBA O=C(CSc1nc(O)cc(=O)[nH]1)Nc1ccc([N+](=O)[O-])cc1 16275824 UKYSURKDHIWWOJ-UHFFFAOYSA-N 322.302 1.115 5 50 DDBA Cc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@](C)(O4)[C@@H]3C2=O)cc1[N+](=O)[O-] 169617534 HAOQAKSTJMZPAN-LMOYCYGVSA-N 314.297 1.736 5 50 DDBA COc1cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])cc1OC 209669 DWSSNYADLJAVDO-NXEZZACHSA-N 324.333 1.861 5 50 DDBA O=C1[C@H](Oc2cccnc2[N+](=O)[O-])CCCN1CC(F)(F)F 159279758 OBMDPNCOORLPLV-SECBINFHSA-N 319.239 1.922 5 50 DDBA CCCC(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])c(Cl)c1 864087933 WYRLRLFREWFVAK-UHFFFAOYSA-N 306.727 1.853 5 50 DDBA NC(=O)C1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 459924 WLKWUGUPOSLAGI-SNAWJCMRSA-N 303.318 1.332 5 50 DDBA O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC2(CC1)OCCO2 1055369 ONWGBFSYABDGND-UHFFFAOYSA-N 306.318 1.503 5 50 DDBA COCCN=c1c(I)c[nH]cc1[N+](=O)[O-] 418816583 YRVLNZDHAXXJGC-UHFFFAOYSA-N 323.090 1.075 5 50 DDBA O=C(CCCn1cc([N+](=O)[O-])cn1)Nc1ccc(C(=O)O)cc1 2808076 NYMNXWCYMPNBPN-UHFFFAOYSA-N 318.289 1.908 5 50 DDBA Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CC(=O)N=C(N)S1 4352472 AOYMLOSSSDVOHK-SECBINFHSA-N 308.319 1.189 5 50 DDBA biogenic COCCN1CC(=O)N(c2ccc([N+](=O)[O-])cc2Cl)C1=O 170613846 IXEHFLCLMGAWOY-UHFFFAOYSA-N 313.697 1.663 5 50 DDBA C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2N)C[C@@H](C)O1 13302277 VOVQZRKSCHGYNT-OCAPTIKFSA-N 324.293 1.335 5 50 DDBA O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 3885255 HZUSSXQFEXYNEA-UHFFFAOYSA-N 306.727 1.269 5 50 DDBA Cc1ccc(NC(=O)C[C@@H]2SC(=N)NC2=O)c([N+](=O)[O-])c1 4158993 JIOFUECAYWENNF-VIFPVBQESA-N 308.319 1.398 5 50 DDBA C[C@@H](O)CNCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 4045607 LCSZNGOSLIAKNJ-MRVPVSSYSA-N 307.272 1.996 5 50 DDBA CCOC(=O)c1ccnc(N2CC[C@]3(CCO3)C2)c1[N+](=O)[O-] 1775991697 TVMFJOVAZODTQC-AWEZNQCLSA-N 307.306 1.536 5 50 DDBA COc1c(C(=O)N[C@H]2CCCC[C@H]2CO)cccc1[N+](=O)[O-] 318954631 VILLAKBBOMURQE-JQWIXIFHSA-N 308.334 1.884 5 50 DDBA CN1CC[C@H]2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])[C@H]2C1 252511184 DSLQAEIOWRGEBH-HZMBPMFUSA-N 304.350 1.224 5 50 DDBA Cc1nc([C@@H]2CCCN2c2ncc([N+](=O)[O-])c(N)n2)[nH]c1C 887268235 GJNCPRNNNJZWJL-VIFPVBQESA-N 303.326 1.648 5 50 DDBA COc1ccc(S(=O)(=O)NCc2ccno2)c([N+](=O)[O-])c1 349455999 SMCYPXUQKUIZCB-UHFFFAOYSA-N 313.291 1.070 5 50 DDBA O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[C@@H]1CCCNC1 110792554 DOJVHBVUQRGAGC-NSHDSACASA-N 313.379 1.263 5 50 DDBA CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN2CCCC[C@@H]12 229605168 WTKXIQGSIKFPJM-CABCVRRESA-N 318.377 1.993 5 50 DDBA C[C@@H](N)c1ccc(CNC(=O)Cn2ccc([N+](=O)[O-])n2)cc1 429517184 GEBLMLTTZWHHNT-SNVBAGLBSA-N 303.322 1.127 5 50 DDBA COC[C@@H]1CN(c2ccc(CC(=O)OC)cc2[N+](=O)[O-])CCO1 297202501 RMDYYLVUPKMYPN-LBPRGKRZSA-N 324.333 1.162 5 50 DDBA COC(=O)[C@@H]1[C@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1[N@+]2(C)[O-] 257354873 CQWXYUZZXCRUDE-CIBFVHANSA-N 319.357 1.880 5 50 DDBA O=[IH2]c1cc([N+](=O)[O-])ccc1C(=O)O 256243285 FBADTBVXQIPLPP-UHFFFAOYSA-N 311.031 1.243 5 50 DDBA CCC[C@H](C)C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1875324104 HWANOWMFHOARCU-VIFPVBQESA-N 300.336 1.836 5 50 DDBA Cc1ccnc(NCCNC(=O)c2cccnc2)c1[N+](=O)[O-] 301304036 SRQYALRLVCGYPL-UHFFFAOYSA-N 301.306 1.535 5 50 DDBA O=[N+]([O-])c1ccc(NCCCN2CCOCC2)c([N+](=O)[O-])c1 19798412 KYDOZIGFHBYXEO-UHFFFAOYSA-N 310.310 1.637 5 50 DDBA CCS(=O)(=O)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 19842687 FRNZZEVAHUBHBU-UHFFFAOYSA-N 313.379 1.062 5 50 DDBA O=C(CSc1nccc(=O)[nH]1)Nc1ccc([N+](=O)[O-])cc1 9427151 UQFPETJMPMWTFQ-UHFFFAOYSA-N 306.303 1.409 5 50 DDBA COC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccccc1[N+](=O)[O-] 132864 PYIQYGGHLDLQGJ-LBPRGKRZSA-N 315.289 1.648 5 50 DDBA CCCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1N 253418705 VPAPTCDIMFBNSN-JTQLQIEISA-N 307.354 1.176 5 50 DDBA CC(=O)N1N=C2C3CCN(CC3)[C@@H]2[C@H]1c1cccc([N+](=O)[O-])c1 19732240 QMRWUEGSQCBNKA-CVEARBPZSA-N 314.345 1.948 5 50 DDBA C=CC(=O)N(C)CC(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 860589738 QWEJTHNBYNSATF-UHFFFAOYSA-N 303.318 1.437 5 50 DDBA Cc1cc(C)n(CCCNC(=O)[C@@H](C)n2cc([N+](=O)[O-])cn2)n1 2785534 ONLCQITXCCYWIJ-GFCCVEGCSA-N 320.353 1.372 5 50 DDBA O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N[C@H]1CCc2ncnn2C1 585119490 JAFLRJIAJVFYRP-VIFPVBQESA-N 320.284 1.462 5 50 DDBA O=[N+]([O-])c1cc2cn[nH]c2cc1N1CCO[C@H]([C@H]2CCCO2)C1 1775987052 OPNAJRCUNRMSPW-CABCVRRESA-N 318.333 1.855 5 50 DDBA Cn1c(C(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)ccc1[N+](=O)[O-] 408086401 IRQNNBKZMLYFFZ-YGRLFVJLSA-N 309.322 1.001 5 50 DDBA CN1CCN(Cc2cc([N+](=O)[O-])c(O)c3ncccc23)CC1 19973425 XINYXKZURGSBSY-UHFFFAOYSA-N 302.334 1.596 5 50 DDBA COc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1[N+](=O)[O-] 442644 JXHSJUAPWJKPLE-UHFFFAOYSA-N 315.285 1.955 5 50 DDBA C/C(=N\NC(=O)C1=CC[C@@H]([N+](=O)[O-])C=C1)c1ccc(N)cc1 4947951 JHKRPAURHADAPZ-FBJMNJBLSA-N 300.318 1.641 5 50 DDBA O=[N+]([O-])c1ccc(N2CCC[C@@H](c3nnc4n3CCC4)C2)cn1 344435218 OZPMJDXIQSPIBI-LLVKDONJSA-N 314.349 1.912 5 50 DDBA Cc1ccc([N+](=O)[O-])c(OCCOCCN2CCOCC2)c1 20652840 CTCBAMHUQNKODE-UHFFFAOYSA-N 310.350 1.631 5 50 DDBA COC(=O)c1cc(C)nc(NCCc2cc[nH]n2)c1[N+](=O)[O-] 1331091884 RAGJSYHCLFSTDT-UHFFFAOYSA-N 305.294 1.463 5 50 DDBA C(CCC[N+]12CCN(CC1)CC2)CCC[N+]12CCN(CC1)CC2 951723464 OCAMOZRUFKPMGK-UHFFFAOYSA-N 322.541 1.229 5 50 DDBA CCN1CCN(CCOCCOc2ccc([N+](=O)[O-])cc2)CC1 5065426 UXTKOGUDVNSFHU-UHFFFAOYSA-N 323.393 1.628 5 50 DDBA Cc1ccc(S(=O)(=O)NCc2ccncc2)cc1[N+](=O)[O-] 3879081 CKHQENXLECXIKF-UHFFFAOYSA-N 307.331 1.777 5 50 DDBA COC(=O)CN1C(=O)S/C(=C/c2ccccc2[N+](=O)[O-])C1=O 4694672 CQXNWJDIASVHOG-UXBLZVDNSA-N 322.298 1.804 5 50 DDBA CC(C)n1ccc2nc3ccn(-c4ncn[nH]4)c(=O)c3cc2c1=O 40267615 CRKLIBWKBKXRRL-UHFFFAOYSA-N 322.328 1.400 5 50 DDBA C[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 18179470 RNQWCRYRLQLXCZ-AOOOYVTPSA-N 300.336 1.393 5 50 DDBA CCN1CCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 4990242 SXVANKZQAUVDKG-UHFFFAOYSA-N 309.366 1.750 5 50 DDBA COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 195252 XFWUIELYJLHVLQ-GFCCVEGCSA-N 305.290 1.738 5 50 DDBA COC(=O)C1(NCCNc2ccc([N+](=O)[O-])cc2F)CCC1 1875273815 MFDGLPQKCMGWCG-UHFFFAOYSA-N 311.313 1.831 5 50 DDBA CCc1nn(C)cc1CNC(=O)c1c(N)cccc1[N+](=O)[O-] 170593235 PSFMRCWOTVWXHQ-UHFFFAOYSA-N 303.322 1.403 5 50 DDBA CC(C)(C)N1OC[C@@H]2CO[C@](O)(c3ccc([N+](=O)[O-])cc3)[C@@H]21 5284019 SMEISUOGAMZPQO-PSOPSSQASA-N 308.334 1.801 5 50 DDBA COc1ccc(NC(=O)Cn2c([N+](=O)[O-])cnc2C)c(OC)c1 356554 LKGHFRQXKWNYHK-UHFFFAOYSA-N 320.305 1.756 5 50 DDBA Cc1ccc(NC(=O)Cn2cc([N+](=O)[O-])c(C(N)=O)n2)c(C)c1 1429455 GLZMSQUAOZLMSD-UHFFFAOYSA-N 317.305 1.146 5 50 DDBA Cc1nn(C)c(C(=O)Nc2nnc(C3CC3)s2)c1[N+](=O)[O-] 2778116 CERXMKYYZCLNNA-UHFFFAOYSA-N 308.323 1.618 5 50 DDBA CCOC(=O)c1ccc2ncc3c(=O)nc(N)sc3c2c1 34925912 MJJYNENEOJDMDQ-UHFFFAOYSA-N 301.327 1.964 5 50 DDBA C[C@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CCN1C1CCCC1 1332008375 ZGBBYJDSBPJNHQ-JTQLQIEISA-N 306.370 1.420 5 50 DDBA CC12CN3CC(C)(CN(C1)C3c1cccc([N+](=O)[O-])c1)C2=O 19312815 RUDWIIFBULKGGN-UHFFFAOYSA-N 301.346 1.820 5 50 DDBA CN(C)CCCNc1c([N+](=O)[O-])c(=O)n(C)c2ccccc12 4501581 ATVAHGZEIIHVQC-UHFFFAOYSA-N 304.350 1.810 5 50 DDBA Cc1nn(C)cc1CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 4651776 LVIKUGJYRUUAST-UHFFFAOYSA-N 324.362 1.457 5 50 DDBA Cc1nn(CC(=O)NC2CCCC2)c2ncc([N+](=O)[O-])cc12 585118714 ZFOURJFETLEZGA-UHFFFAOYSA-N 303.322 1.707 5 50 DDBA CS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 4008143 CQONULVPXIUROW-UHFFFAOYSA-N 319.770 1.330 5 50 DDBA Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H](CN2CC[C@@H](O)C2)C1 585132694 NBXLOWUAFOVJCH-DZGCQCFKSA-N 320.393 1.581 5 50 DDBA O=c1onc(-c2ncccn2)n1Cc1ccc([N+](=O)[O-])c(F)c1 170605595 HRLAQZXJYGKOKZ-UHFFFAOYSA-N 317.236 1.389 5 50 DDBA COc1cc([N+](=O)[O-])cc(/C=C2/C(=O)N(C)C(=S)N2C)c1O 16226072 LQLUDOIONSJJJL-UITAMQMPSA-N 323.330 1.339 5 50 DDBA CCOC(=O)c1ccc(NC(=O)Cn2ccc([N+](=O)[O-])n2)cc1 1067728 ABOOPRMNLKLSKC-UHFFFAOYSA-N 318.289 1.607 5 50 DDBA O=C(Cn1ccc([N+](=O)[O-])n1)n1cc(Br)cn1 1068714 HGBJODKOIHVXGU-UHFFFAOYSA-N 300.072 1.091 5 50 DDBA C[C@@]1(NC(=O)Nc2cccc([N+](=O)[O-])c2)CCS(=O)(=O)C1 4793653 NZSYWTVTFYPJRH-GFCCVEGCSA-N 313.335 1.294 5 50 DDBA CCOCCCNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 2819396 FSRCSOJVOVSPDP-UHFFFAOYSA-N 310.306 1.538 5 50 DDBA C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)n1cc([N+](=O)[O-])cn1 355696 DPBCVKLJPZXKPL-QMMMGPOBSA-N 303.278 1.090 5 50 DDBA N[C@H]1CCC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 420462898 IJCLEBICXAIRFR-MNOVXSKESA-N 313.379 1.391 5 50 DDBA C[C@H]1CN(C(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 459173 KPFVVPVDDOEMPD-UWVGGRQHSA-N 323.374 1.719 5 50 DDBA CCOC(=O)CNC(=S)Nc1ccc([N+](=O)[O-])cc1OC 5042004 ANCKWJYGLCSUFJ-UHFFFAOYSA-N 313.335 1.453 5 50 DDBA C[C@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H](C)O1 183399 VKRZEOJRZIZNJT-UWVGGRQHSA-N 300.336 1.393 5 50 DDBA Cn1cc([N+](=O)[O-])c(C(=O)NC2C3CC4CC(C3)CC2C4)n1 375955 TXNPOZWHTDYJQS-UHFFFAOYSA-N 304.350 1.883 5 50 DDBA C[C@@H]1CC[S@@](=O)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 242273794 YFYHKKLXYXJTQC-LADRHHBVSA-N 311.363 1.970 5 50 DDBA NCc1ccc(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 223103262 HTAIHSIQMLXOIS-UHFFFAOYSA-N 321.358 1.532 5 50 DDBA COc1cc(CN2CCCC[C@@H]2CO)c([N+](=O)[O-])cc1OC 4947551 XNFLMYHFXMQTQQ-GFCCVEGCSA-N 310.350 1.959 5 50 DDBA O=C(NCc1nc2cc(F)ccc2[nH]1)c1c[nH]nc1[N+](=O)[O-] 170617955 PAJWGCMZKIEHOO-UHFFFAOYSA-N 304.241 1.263 5 50 DDBA CC(C)OCC(=O)Nc1cc(N2CCOCC2)ccc1[N+](=O)[O-] 585125989 KLKNFFRTLKHBRC-UHFFFAOYSA-N 323.349 1.795 5 50 DDBA Cc1ccnc([C@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)c1 408523139 PEKBBDZVQMFPSH-LBPRGKRZSA-N 315.333 1.511 5 50 DDBA COc1cc(C(=O)NCc2c[nH]nc2C)cc([N+](=O)[O-])c1C 170611048 SMMSLFSOQGDFCV-UHFFFAOYSA-N 304.306 1.873 5 50 DDBA C[C@@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC(C)(C)O1 151721021 VRISXUPQKPCHHJ-SNVBAGLBSA-N 311.342 1.000 5 50 DDBA CCCOc1ccc(C(=O)OCC[N+]2(C)CCOCC2)c(O)c1 220133157 DEWFNCXXDPMIHV-UHFFFAOYSA-O 324.397 1.815 5 50 DDBA COC(=O)c1cccc(OC)c1Cn1cc([N+](=O)[O-])c(C)n1 585118936 JBNNPJFHWWKBAM-UHFFFAOYSA-N 305.290 1.943 5 50 DDBA CCn1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C(N)=O)n1 2796340 MYYOEVCHGADYRW-UHFFFAOYSA-N 303.278 1.162 5 50 DDBA NC(=O)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 71766948 PMPUEYMWVBNOML-UHFFFAOYSA-N 321.314 1.495 5 50 DDBA CCC[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])C(=O)O 185030841 UINQLYHUOPVASO-NSHDSACASA-N 309.322 1.766 5 50 DDBA C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cncc(F)c1 361135094 KBTRKXLOZLNOCO-TVQRCGJNSA-N 309.301 1.037 5 50 DDBA Cn1ncc(NC(=S)Nc2cccc([N+](=O)[O-])c2)c1C(N)=O 2857459 RGFHILVZSPQYEG-UHFFFAOYSA-N 320.334 1.236 5 50 DDBA CCOC(=O)/C=C/c1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 4779417 CMRARZFDIBTUIB-FNORWQNLSA-N 309.274 1.723 5 50 DDBA CO[C@H]1CCCCC[C@H]1NC(=O)Cn1cc([N+](=O)[O-])nc1C 225453773 IHXYJSXAVNRVQA-NEPJUHHUSA-N 310.354 1.564 5 50 DDBA COC(=O)CN1CCC[C@@H](CNc2ccc([N+](=O)[O-])cn2)C1 241231188 KSWNAWROMRAKCC-NSHDSACASA-N 308.338 1.287 5 50 DDBA COC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nc1C(=O)OC 196379686 YTSLSPVFCSDKGS-UHFFFAOYSA-N 305.246 1.354 5 50 DDBA CCn1c(=O)c([N+](=O)[O-])c(NCCN(C)C)c2ccccc21 4679993 BKHWMKPSGUKEPI-UHFFFAOYSA-N 304.350 1.903 5 50 DDBA O=C1CC(=O)NC(SCc2c(Cl)cccc2[N+](=O)[O-])=N1 314192 LYSUNTMJVSYFCI-UHFFFAOYSA-N 313.722 1.884 5 50 DDBA C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H](O)CC1 293061555 IMNDROKKUWQIEM-RISCZKNCSA-N 307.350 1.769 5 50 DDBA CC[C@@H](Nc1c([N+](=O)[O-])cc(CO)c(C)c1[N+](=O)[O-])[C@H](C)O 958659421 GWZPKSACAXIJKR-WCBMZHEXSA-N 313.310 1.875 5 50 DDBA C[C@]1(C(=O)Oc2ccccc2)CS(=O)(=O)C[C@@]1(C)[N+](=O)[O-] 4991925 AYSGFCYSJDXKLE-CHWSQXEVSA-N 313.331 1.062 5 50 DDBA Cc1ccc([N+](=O)[O-])c(OCCN2C(=O)NC(C)(C)C2=O)c1 613931 UCMJUAWKBZFGAS-UHFFFAOYSA-N 307.306 1.612 5 50 DDBA Cc1ccc(S(=O)(=O)NCc2cccnc2)cc1[N+](=O)[O-] 3879080 UUHSOGWTAMAMQL-UHFFFAOYSA-N 307.331 1.777 5 50 DDBA COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 36047193 VIAGTPKCPQRGFQ-LLVKDONJSA-N 307.262 1.101 5 50 DDBA CCCc1[nH]nc(C(=O)N[C@H]2CN(CC)C[C@@H]2C)c1[N+](=O)[O-] 610672989 FJGHJAQNTFCQFK-ONGXEEELSA-N 309.370 1.340 5 50 DDBA O=C(c1ccc([N+](=O)[O-])cc1)N1N=CC[C@]1(O)C(F)(F)F 6926289 VQGOKTVOAMBNNA-JTQLQIEISA-N 303.196 1.677 5 50 DDBA CC(C)[C@@H]1CNCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 208158615 JCWPKBPRODWUKF-ZDUSSCGKSA-N 313.379 1.213 5 50 DDBA Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)NC[C@@H]1CCCO1 196112 RJWUAOJSWRXVTM-QMMMGPOBSA-N 302.718 1.048 5 50 DDBA COC(=O)CN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])o2)C1=O 4694716 MBDFLSJQJXFRHQ-QPJJXVBHSA-N 312.259 1.397 5 50 DDBA CCCCn1c(=N)c(C(N)=O)cc2c(=O)n3ccccc3nc21 100706971 LRRJYNYUTADQFM-UHFFFAOYSA-N 311.345 1.028 5 50 DDBA CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN2CCCC[C@@H]12 229605178 WTKXIQGSIKFPJM-GJZGRUSLSA-N 318.377 1.993 5 50 DDBA O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCc2nn[nH]c2C1 355281305 BGIQDPILPLVFEE-UHFFFAOYSA-N 312.289 1.393 5 50 DDBA CN(CCc1ccccc1[N+](=O)[O-])C(=O)Cc1ccc(O)nc1 597640274 XRJJCELGZXJWIG-UHFFFAOYSA-N 315.329 1.939 5 50 DDBA CCOC(=O)c1ccc(Nc2ncnc(N)c2[N+](=O)[O-])cc1 3912565 GKAQGPLSZZASHV-UHFFFAOYSA-N 303.278 1.887 5 50 DDBA CN1C(=O)[C@](O)(CC(=O)c2ccco2)c2cc([N+](=O)[O-])ccc21 5065421 YDCIXZCWTQIGPM-HNNXBMFYSA-N 316.269 1.625 5 50 DDBA O=C(NC(=S)NCc1ccco1)c1ccc([N+](=O)[O-])cc1 83824 VKDNHTHTZNCNNS-UHFFFAOYSA-N 305.315 1.992 5 50 DDBA NC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 311829 MBDMZUDTAXSCMB-UHFFFAOYSA-N 311.725 1.586 5 50 DDBA O=[N+]([O-])c1ccc(N2C[C@@H](CO)C[C@@H]2CO)cc1C(F)(F)F 1776007192 XYEUIRRIFDELCS-WCBMZHEXSA-N 320.267 1.793 5 50 DDBA COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ncns1 170609240 OHMQDEUDMBVYSB-UHFFFAOYSA-N 316.320 1.256 5 50 DDBA Cc1cc2ncn(C[C@@H](O)Cn3ccc([N+](=O)[O-])n3)c2cc1C 170691901 UTIVURMLEJZCGG-GFCCVEGCSA-N 315.333 1.819 5 50 DDBA CCCc1[nH]nc(C(=O)NCC2(N(C)C)CCCC2)c1[N+](=O)[O-] 264608424 JMFVBASKEWMCSG-UHFFFAOYSA-N 323.397 1.875 5 50 DDBA O=C1[C@@H](Oc2cccnc2[N+](=O)[O-])CCCN1CC(F)(F)F 159279922 OBMDPNCOORLPLV-VIFPVBQESA-N 319.239 1.922 5 50 DDBA C[C@H]1CN(c2ncc([N+](=O)[O-])cc2F)C[C@H]1N1CCOCC1 408466148 IPFDKHFFFDLKRC-GXFFZTMASA-N 310.329 1.286 5 50 DDBA CC(=O)N1N=C2C3CCN(CC3)[C@H]2[C@@H]1c1cccc([N+](=O)[O-])c1 19732238 QMRWUEGSQCBNKA-JKSUJKDBSA-N 314.345 1.948 5 50 DDBA O=C(Cn1cc([N+](=O)[O-])cn1)N1C[C@H](O)C[C@H]1c1ccccc1 413939357 LGCHTNHURNVFCY-KGLIPLIRSA-N 316.317 1.126 5 50 DDBA O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](C2CC2)N1 593910140 RLCKZFHKEHTBDU-ZIAGYGMSSA-N 303.362 1.784 5 50 DDBA Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N2CCCCC2)C1 323185158 AXUAVHNOPDCALK-NSHDSACASA-N 319.365 1.272 5 50 DDBA COC[C@H]1CN(c2ccc(CC(=O)OC)cc2[N+](=O)[O-])CCO1 297202484 RMDYYLVUPKMYPN-GFCCVEGCSA-N 324.333 1.162 5 50 DDBA O=C1CC[C@H]2CN(c3c([N+](=O)[O-])ccc4n[nH]cc34)CCN12 1776006513 QTLSVMSNCRMTFC-VIFPVBQESA-N 301.306 1.282 5 50 DDBA COc1cc(C(=O)N(C)CCn2cccn2)cc([N+](=O)[O-])c1C 191575820 KKWMXMDUDOIPGC-UHFFFAOYSA-N 318.333 1.881 5 50 DDBA CCOC(=O)Nc1cc(O)c([N+](=O)[O-])c(NC(=O)OCC)n1 16954516 PQSKPIIKJFWEIH-UHFFFAOYSA-N 314.254 1.832 5 50 DDBA CN1CCN(c2ccc([N+](=O)[O-])c(NC[C@@H]3CCCO3)c2)CC1 4688064 SAOZWYITSQHLQD-AWEZNQCLSA-N 320.393 1.938 5 50 DDBA O=C(C[C@]1(O)C(=O)Nc2ccc([N+](=O)[O-])cc21)c1ccccn1 4985988 PWMPEBRAIMKUTD-OAHLLOKOSA-N 313.269 1.403 5 50 DDBA Cc1cc(NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)no1 376175 ZZWOITDGVLSMPA-UHFFFAOYSA-N 317.261 1.981 5 50 DDBA O=[N+]([O-])c1ccccc1S(=O)(=O)NCCc1ccncc1 4623162 VHRKZDRZFLGQHF-UHFFFAOYSA-N 307.331 1.511 5 50 DDBA O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCN1CCOCC1 19229194 LTASYXQLEPMGKY-ZZXKWVIFSA-N 305.334 1.056 5 50 DDBA O=[N+]([O-])c1ccc(N2CCN(CCO)CC2)c2ncccc12 19286092 BGKYIPHYQNPZAS-UHFFFAOYSA-N 302.334 1.257 5 50 DDBA C[C@H]1CN(C(=S)NC(=O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 301673 PGLWMWSPUUOAMJ-UWVGGRQHSA-N 323.374 1.719 5 50 DDBA CN1CCN(CCOCCOc2ccccc2[N+](=O)[O-])CC1 2954867 IGMSXWVQVXMPLY-UHFFFAOYSA-N 309.366 1.238 5 50 DDBA C[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)N1CCCCC1=O 170619103 UTJLJZVMRGBZOR-VIFPVBQESA-N 311.363 1.787 5 50 DDBA Cn1cnc([N+](=O)[O-])c1C(=O)Nc1ccc2c(c1)OCCO2 4629526 ATXADUGNHJOJQO-UHFFFAOYSA-N 304.262 1.352 5 50 DDBA Cc1c([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c2c1CN1CCCCC1 23258 SUKSAXBKZZSCRI-UHFFFAOYSA-N 318.333 1.419 5 50 DDBA in-vitro COC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccc([N+](=O)[O-])cc1 71141 MVYFIINDUQMKTL-LBPRGKRZSA-N 321.358 1.903 5 50 DDBA CNC1=NC(=O)C[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)S1 4681115 TVTQATICQDCKIG-SECBINFHSA-N 308.319 1.141 5 50 DDBA O=C(c1ccc(O)c([N+](=O)[O-])c1)N(C[C@@H]1CCOC1)C1CC1 164379731 JJKVKJPNLZLXOS-JTQLQIEISA-N 306.318 1.942 5 50 DDBA O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1CC[C@H](C2CC2)N1 593910136 RLCKZFHKEHTBDU-KGLIPLIRSA-N 303.362 1.784 5 50 DDBA C[Si](C)(C)[C@@]12[C@@H]3[C@@H]4C[C@H]5C(=O)[C@@H](C[C@@H]1C4=O)[C@]2([N+](=O)[O-])[C@H]35 257355445 ASJGLUFJIUTQQS-MHMVQLSDSA-N 305.406 1.764 5 50 DDBA CCc1[nH]nc(C(=O)N2CCCC[C@@H]2c2ncon2)c1[N+](=O)[O-] 185698225 NASHLDPGSFZWKA-SECBINFHSA-N 320.309 1.631 5 50 DDBA COC(=O)c1cc([N+](=O)[O-])c(=O)n(Cc2ccncc2Cl)c1 184547343 FXJDSKDQRBZMQA-UHFFFAOYSA-N 323.692 1.640 5 50 DDBA CCc1csc([C@@H](C)NC(=O)Cn2cc([N+](=O)[O-])cn2)n1 585088307 UWRKEQPHIOMICI-MRVPVSSYSA-N 309.351 1.688 5 50 DDBA C[C@@H]1[C@@H]2CCCN2CCN1Cc1cc2c(cc1[N+](=O)[O-])OCO2 16677798 VHQDOWQSZHIKJL-YPMHNXCESA-N 319.361 1.992 5 50 DDBA O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)Nc1nncs1 2975131 QIQKQOBCJXRQST-UHFFFAOYSA-N 308.275 1.242 5 50 DDBA CC(C)C[C@H](Nc1cc(F)c([N+](=O)[O-])cc1[N+](=O)[O-])C(N)=O 44075734 WCOZOJGXDVGGIK-VIFPVBQESA-N 314.273 1.954 5 50 DDBA in-vitro Cc1n[nH]c(O)c1[C@H](c1ccc([N+](=O)[O-])o1)c1c(O)n[nH]c1C 19930204 ZMZIWYQOXQYVJG-UHFFFAOYSA-N 319.277 1.842 5 50 DDBA CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(C(=O)O)cc2)n1 2762927 GYWMPNOAHQIRMG-UHFFFAOYSA-N 318.289 1.439 5 50 DDBA COC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H]2C[C@H]2[C@H]1C(=O)O 242575043 NPNZWNCDQBAUAE-VMAXQDLPSA-N 306.274 1.291 5 50 DDBA CCCc1[nH]nc(C(=O)NC[C@H]2CCCCN(C)C2)c1[N+](=O)[O-] 600313102 HSYQTXBGBBZRPR-LLVKDONJSA-N 323.397 1.732 5 50 DDBA COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1ncn[nH]1 4832070 MGVCKEYGBHNWCB-UHFFFAOYSA-N 309.307 1.452 5 50 DDBA O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 229804049 SEGITSOJPQRWPK-JTNHKYCSSA-N 314.345 1.934 5 50 DDBA NC(=O)[C@@H]1CCCN(Cc2cc3c(cc2[N+](=O)[O-])OCO3)C1 16662898 XAENJXKCLRQVLA-SECBINFHSA-N 307.306 1.021 5 50 DDBA CC(C)(C)OC(=O)Cn1nnc(-c2cccc([N+](=O)[O-])c2)n1 221525438 ONSVUUNEFWIGBQ-UHFFFAOYSA-N 305.294 1.590 5 50 DDBA Cc1nnc(CS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1C1CC1 170608218 RIFXAXXITHFBEM-UHFFFAOYSA-N 322.346 1.804 5 50 DDBA CC(C)c1ccc(OC[C@H]2C[N+]34CCO[B-]3(OCC4)O2)cc1 169830830 VTRFAIUOWLDAAZ-WWDZGPRUSA-N 305.183 1.900 5 50 DDBA CCn1nc(C)c([N+](=O)[O-])c1N1CCO[C@H](COCC2CC2)C1 253431235 QUBYEGCXTAVZHN-ZDUSSCGKSA-N 324.381 1.751 5 50 DDBA CNc1nccc(C(=O)NCC(F)(F)C(F)F)c1[N+](=O)[O-] 240934428 JCAADDQIUXCAQQ-UHFFFAOYSA-N 310.207 1.662 5 50 DDBA CC(=O)NC1=NN(C(C)=O)[C@](C)(c2ccc([N+](=O)[O-])cc2)S1 201295 IMYPYOKSSLARTE-ZDUSSCGKSA-N 322.346 1.770 5 50 DDBA Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 248086791 SNAQHXUZKQFKST-BFJAYTPKSA-N 315.373 1.795 5 50 DDBA Cc1cc(N2CC[C@H](Nc3ncccc3[N+](=O)[O-])C2=O)n(C)n1 266269097 QTMLKKACTMPFOM-JTQLQIEISA-N 316.321 1.249 5 50 DDBA CC(C)(C)OC(=O)N1CCN(c2cc(N)c([N+](=O)[O-])cn2)CC1 669382655 KAEPUFMWSRPELV-UHFFFAOYSA-N 323.353 1.629 5 50 DDBA COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C(=O)O)[C@@H]2C[C@@H]2C)c1 1875353518 VXBYCKPVBZJUAZ-VMAXQDLPSA-N 308.290 1.442 5 50 DDBA Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)NCc1cccnc1 196062 JJPTUTYARXXKSR-UHFFFAOYSA-N 309.713 1.465 5 50 DDBA Cn1cnc([N+](=O)[O-])c1NCCNc1ncnc2sccc12 585092306 OJTHATMRHFSDSF-UHFFFAOYSA-N 319.350 1.857 5 50 DDBA COC(=O)[C@@]1(C)CCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 275446797 SSCMCFWXWDAIAL-OAHLLOKOSA-N 322.317 1.528 5 50 DDBA O=[N+]([O-])c1cc2cn[nH]c2cc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1775987055 OPNAJRCUNRMSPW-LSDHHAIUSA-N 318.333 1.855 5 50 DDBA Cc1cc(NC[C@H](O)CO)c(Br)cc1[N+](=O)[O-] 235781684 RXOMRDJTALGIEA-ZETCQYMHSA-N 305.128 1.431 5 50 DDBA CCOC(CN(CC)C(=O)Cn1cc([N+](=O)[O-])cn1)OCC 585087528 FNFAVELZJJDANY-UHFFFAOYSA-N 314.342 1.039 5 50 DDBA CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CN2CCC1CC2 347949425 NFBDUQSPYGCLRN-HNNXBMFYSA-N 303.362 1.690 5 50 DDBA O=C(NC1CCCCC1)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2[N+](=O)[O-])C1 252678624 GLBHYCZAOCSYMW-KWCYVHTRSA-N 323.393 1.339 5 50 DDBA O=C(Cn1cc(F)ccc1=O)N1CCc2ccc([N+](=O)[O-])cc21 190751712 MRFKXVUYQJFFPA-UHFFFAOYSA-N 317.276 1.485 5 50 DDBA CCOC(=O)c1ccc(Oc2ncnc(N)c2[N+](=O)[O-])cc1 4059607 JBZDMGAYWYGNOW-UHFFFAOYSA-N 304.262 1.936 5 50 DDBA Cc1cccc(C(=O)NC[C@@H](C)N2CCOC[C@H]2C)c1[N+](=O)[O-] 247989252 LRUFIUVFTWMKNN-CHWSQXEVSA-N 321.377 1.742 5 50 DDBA CN(Cc1nnc[nH]1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 284149706 RKIXPXQAIPMVCA-UHFFFAOYSA-N 304.310 1.097 5 50 DDBA Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1N[C@H]2CC[C@H]1C2 1875339847 AFPMYGYFPKMVEN-UWVGGRQHSA-N 304.306 1.110 5 50 DDBA O=[N+]([O-])c1cc2cn[nH]c2cc1N1CCO[C@@H]([C@H]2CCCO2)C1 1775987054 OPNAJRCUNRMSPW-HUUCEWRRSA-N 318.333 1.855 5 50 DDBA O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2 36220945 UISPVILPNWSMGC-WDAHDJQVSA-N 302.286 1.731 5 50 DDBA Cc1ccnc(N2CCN(Cc3cnccn3)CC2)c1[N+](=O)[O-] 952876531 ADDDAIOSBHVSCT-UHFFFAOYSA-N 314.349 1.410 5 50 DDBA CCOc1cc(NS(=O)(=O)C[C@H](C)OC)ccc1[N+](=O)[O-] 585129193 AXLXMDBYEWONHM-VIFPVBQESA-N 318.351 1.770 5 50 DDBA NS(=O)(=O)c1cccc(C(=O)Nc2ccccc2[N+](=O)[O-])c1 5344690 VTQRHJKDAGGTIJ-UHFFFAOYSA-N 321.314 1.495 5 50 DDBA O=c1c[n+]([O-])c2ccccc2n1OCc1ccc([N+](=O)[O-])cc1 2845371 AKCITDWRPMOALV-UHFFFAOYSA-N 313.269 1.172 5 50 DDBA C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC[S@]1=O 242346968 ZKRWVMFFVQCFOQ-AOUSDQRYSA-N 312.347 1.284 5 50 DDBA N[C@@H]1CCC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 420462901 IJCLEBICXAIRFR-WDEREUQCSA-N 313.379 1.391 5 50 DDBA CSc1nc(NC(=O)Cc2ccccc2[N+](=O)[O-])nn1C 1775997509 FOLYBBICQVQRKE-UHFFFAOYSA-N 307.335 1.626 5 50 DDBA CCc1cccnc1-c1noc(Cn2cc([N+](=O)[O-])cn2)n1 356764640 MXDCQCCLHIFBJG-UHFFFAOYSA-N 300.278 1.847 5 50 DDBA C[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12 239309407 HOTHFYFSLVLRHY-YXMPFFBPSA-N 300.270 1.428 5 50 DDBA O=C1N[C@]2(C(=O)NCc3ccccc3[N+](=O)[O-])C[C@H]3C[C@@H]1[C@H]2C3 593032462 XKOHSBLEFVFYCR-OBOQGBEESA-N 315.329 1.126 5 50 DDBA COC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)c1=N 100297237 PLHGCNZMKRSNQQ-UHFFFAOYSA-N 312.329 1.496 5 50 DDBA O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@@H](c2ccncc2)C1 328593372 IBUSZHXNCARHFT-CYBMUJFWSA-N 315.333 1.593 5 50 DDBA O=C1CCCN1CCCNC(=S)Nc1cccc([N+](=O)[O-])c1 17056051 SAGQNTYJNFNHGL-UHFFFAOYSA-N 322.390 1.894 5 50 DDBA COC(=O)c1cnc(N2C[C@@H](C)O[C@H](C3CC3)C2)c([N+](=O)[O-])c1 280536721 RYZDKNOXKWLARX-RNCFNFMXSA-N 321.333 1.780 5 50 DDBA O=C(O)c1nsnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 16310524 JONWSENZLGMJEK-UHFFFAOYSA-N 312.219 1.425 5 50 DDBA Cc1c(O)c([N+](=O)[O-])c(C(=O)O)c([N+](=O)[O-])c1Br 3067792 GIZRPXSAIKOADF-UHFFFAOYSA-N 321.039 1.978 5 50 DDBA C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)C[C@@H]1N1CCOCC1 408466150 IPFDKHFFFDLKRC-MFKMUULPSA-N 310.329 1.286 5 50 DDBA COc1ccc(C(=O)NCCCN2CCCC2=O)cc1[N+](=O)[O-] 2872616 YSHFUZOAIHQRRH-UHFFFAOYSA-N 321.333 1.346 5 50 DDBA C[C@@H]1CN(c2ncnc3sc([N+](=O)[O-])cc23)CC(=O)N1C 286477475 OXFLCZMWZPEJJP-SSDOTTSWSA-N 307.335 1.266 5 50 DDBA C[C@H]1C[C@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)CCO1 271643937 YRUCMHNMICMPDL-NWDGAFQWSA-N 308.334 1.905 5 50 DDBA Cc1ccc(S(=O)(=O)N(C)c2ccn(C)n2)cc1[N+](=O)[O-] 170598988 LPZYDQKWQXGGBR-UHFFFAOYSA-N 310.335 1.462 5 50 DDBA COC(=O)c1c(N)c2cc([N+](=O)[O-])cnc2n1C[C@@H]1CCCO1 601014561 WNIPEOGIRYJOSL-VIFPVBQESA-N 320.305 1.492 5 50 DDBA CCOC(=O)NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2[nH]1 2863330 UCMTXIBLYIVYFF-UHFFFAOYSA-N 324.318 1.836 5 50 DDBA COC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1cccc([N+](=O)[O-])c1 3151044 VRYAOZCPSMQVRM-GFCCVEGCSA-N 321.358 1.903 5 50 DDBA Nc1nnc(C2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)o1 585092392 UJYUACCCMRBVDF-UHFFFAOYSA-N 307.285 2.083 5 50 DDBA CC(=O)NC1=NN(C(C)=O)[C@@H](c2cccc([N+](=O)[O-])c2)S1 184159 QSJALDLSEXKQOW-LLVKDONJSA-N 308.319 1.596 5 50 DDBA CCS(=O)(=O)c1ccc(N2CCN(C)CC2)c([N+](=O)[O-])c1 15443204 RLLMWIUZVUGSGI-UHFFFAOYSA-N 313.379 1.140 5 50 DDBA in-vitro O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1CCN2CCCC[C@@H]12 229605263 RKPMLZZMCSNULH-GJZGRUSLSA-N 319.361 1.717 5 50 DDBA O=C(C[C@@]1(O)C(=O)Nc2ccc([N+](=O)[O-])cc21)c1ccccn1 4985985 PWMPEBRAIMKUTD-HNNXBMFYSA-N 313.269 1.403 5 50 DDBA CCc1nn(C)c(N2CCN(CC(C)C)C(=O)C2)c1[N+](=O)[O-] 170602226 SILFTFPOPCQVJU-UHFFFAOYSA-N 309.370 1.195 5 50 DDBA O=C(c1ccccn1)N1CC[C@H](Nc2ncc([N+](=O)[O-])s2)C1 192492022 TWGLAFBRJPLQFZ-VIFPVBQESA-N 319.346 1.773 5 50 DDBA O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2CO)cc1 318687 LKADVAWBBYNQJQ-UHFFFAOYSA-N 308.315 1.888 5 50 DDBA O=C(Cn1cc([N+](=O)[O-])cn1)NCCCCCN1CCCC1 293816931 CPXNXCWNIRDBFX-UHFFFAOYSA-N 309.370 1.174 5 50 DDBA CC1(C(=O)NS(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])CCC1 888101227 VNVONVLFIGFCGE-UHFFFAOYSA-N 316.310 1.729 5 50 DDBA COCCN(CCOC)C(=O)c1cc([N+](=O)[O-])ccc1Cl 4619059 BSRVTRBGKNXKQN-UHFFFAOYSA-N 316.741 1.983 5 50 DDBA CC(=O)c1ccc(NC[C@@H]2CN3CCCN2CC3)c([N+](=O)[O-])c1 1615599514 SBWSBOQFOKLJEP-CQSZACIVSA-N 318.377 1.599 5 50 DDBA CCOc1cccc(N2C[C@@H]3OCCN(C)[C@H]3C2)c1[N+](=O)[O-] 245338809 OQECODPPPFTYOD-JSGCOSHPSA-N 307.350 1.513 5 50 DDBA C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 209608 XVENDFRFPBJYCR-NXEZZACHSA-N 300.336 1.393 5 50 DDBA COc1cc(C(=O)NC[C@@H]2CCCO2)c([N+](=O)[O-])cc1OC 263442 XXSWHHRXLZLPDA-VIFPVBQESA-N 310.306 1.521 5 50 DDBA Cn1ccc(C(=O)NC(=S)Nc2cccc([N+](=O)[O-])c2)n1 6402207 MPDBDGMKEDGPIU-UHFFFAOYSA-N 305.319 1.455 5 50 DDBA COC(=O)c1cccc([N+](=O)[O-])c1I 157922 CMCWXWQXFLAUFM-UHFFFAOYSA-N 307.043 1.986 5 50 DDBA in-vitro O=C1C[C@H](N2CCCCC2)C(=O)N1c1cccc([N+](=O)[O-])c1 4872219 YWUOUFBHZFMLNO-ZDUSSCGKSA-N 303.318 1.713 5 50 DDBA O=[N+]([O-])c1[nH]c(Br)nc1I 16697087 INJLQGWGWJXFJX-UHFFFAOYSA-N 317.868 1.685 5 50 DDBA Cc1nn(CCNS(=O)(=O)c2ccccc2)c(C)c1[N+](=O)[O-] 298695218 FHXRQQWDYXUZDH-UHFFFAOYSA-N 324.362 1.387 5 50 DDBA Cc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)c([N+](=O)[O-])c1 101356564 GDYKLRVZRPIDKJ-LPWJVIDDSA-N 300.270 1.346 5 50 DDBA CC(=O)NC1=NN(C(C)=O)[C@@](C)(c2ccc([N+](=O)[O-])cc2)S1 201296 IMYPYOKSSLARTE-CYBMUJFWSA-N 322.346 1.770 5 50 DDBA COC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1cccc([N+](=O)[O-])c1 3151045 VRYAOZCPSMQVRM-LBPRGKRZSA-N 321.358 1.903 5 50 DDBA O=C(Cn1cc([N+](=O)[O-])cn1)N1C[C@H](O)C[C@@H]1c1ccccc1 413939359 LGCHTNHURNVFCY-ZIAGYGMSSA-N 316.317 1.126 5 50 DDBA O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccc(O)c([N+](=O)[O-])c1 230185809 BFAFRBGGKUSJTI-WDMOLILDSA-N 306.318 1.988 5 50 DDBA O=C(OCCn1cnc([N+](=O)[O-])n1)c1cc2cc(F)ccc2o1 124622594 IDGFVXFFWKCAJP-UHFFFAOYSA-N 320.236 1.929 5 50 DDBA O=C(O)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 225603545 JMXOQCQHCGXZBB-WISYIIOYSA-N 304.258 1.188 5 50 DDBA COC(=O)c1cc(C(=O)N[C@H]2CCSC2=O)cc([N+](=O)[O-])c1 226582 MNEWINCQCNCJLD-JTQLQIEISA-N 324.314 1.143 5 50 DDBA CCN(CC)CCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 2871105 ALWFWSVOTHVZAM-UHFFFAOYSA-N 315.395 1.605 5 50 DDBA CC(C)C[C@@H](CN)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 111829890 UMLNBBVKUMSHIS-JTQLQIEISA-N 301.368 1.247 5 50 DDBA O=[N+]([O-])c1cccnc1N1CCN(c2cc(C3CC3)n[nH]2)CC1 302427472 NYEQZLBJMDUBPH-UHFFFAOYSA-N 314.349 1.917 5 50 DDBA CC(C)[C@H](Nc1cc(F)c([N+](=O)[O-])cc1[N+](=O)[O-])C(N)=O 4521446 ZTFFRKNPAXXEBL-JTQLQIEISA-N 300.246 1.564 5 50 DDBA in-vitro Cc1nccn1S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 194065 PAYZQQOTBCDWID-UHFFFAOYSA-N 301.711 1.990 5 50 DDBA Cc1ccc(-n2nnnc2Sc2nc([N+](=O)[O-])nn2C)cc1 545297 WRSDNEDDGTYOPB-UHFFFAOYSA-N 318.322 1.159 5 50 DDBA O=C(O)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cn1)C2=O 4182126 PWUIMGAWTLBLAL-UHFFFAOYSA-N 313.225 1.489 5 50 DDBA COC(=O)[C@@]1(C(=O)O)Cc2cc([N+](=O)[O-])ccc2N2CCC[C@H]21 229798536 VVDMOGJPPTWGSX-WFASDCNBSA-N 320.301 1.364 5 50 DDBA Cc1ccnc(N2CCC[C@@H](c3nnc(N)o3)C2)c1[N+](=O)[O-] 585092828 PNZKKYHJFPQUSV-SECBINFHSA-N 304.310 1.647 5 50 DDBA O=c1c2cc3c(=O)n(C4CC4)ccc3nc2ccn1-c1ncn[nH]1 40287290 LBGAKIJHSJIVOR-UHFFFAOYSA-N 320.312 1.154 5 50 DDBA COc1cc(N2C[C@H](C)[C@H](N3CCOCC3)C2)ccc1[N+](=O)[O-] 267515370 DBCVWHNGRMIFCA-SWLSCSKDSA-N 321.377 1.760 5 50 DDBA Cc1noc([C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)C(C)C)n1 170083338 IHLAZWOVEFJGDC-LBPRGKRZSA-N 319.321 1.996 5 50 DDBA COC(=O)c1ccccc1NC(=O)c1nn(C)cc1[N+](=O)[O-] 303561 KQCHJKZUBMPSAJ-UHFFFAOYSA-N 304.262 1.367 5 50 DDBA O=C(N[C@@H](CO)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 6240238 MAJYFSCAILRNTF-CQSZACIVSA-N 300.314 1.928 5 50 DDBA Cc1ccc([N+](=O)[O-])c(N2CCN(CC(F)(F)F)CC2)n1 178158928 ALHWNLXKWQMTHF-UHFFFAOYSA-N 304.272 1.983 5 50 DDBA CCCC[C@H](CN)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 150324215 VCBGDIYFTFHZEJ-SNVBAGLBSA-N 301.368 1.391 5 50 DDBA CCC[C@@H]1CNCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 440866016 VMRRSMKBXVMZCO-LLVKDONJSA-N 313.379 1.357 5 50 DDBA Cc1nccn1CCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O 874974288 OTXBLZQMJCIYNZ-UHFFFAOYSA-N 324.362 1.615 5 50 DDBA CCOC(=O)N1CCN(c2cc(N)c([N+](=O)[O-])cc2F)CC1 4623624 ICDKGFUVZSYIMT-UHFFFAOYSA-N 312.301 1.595 5 50 DDBA CNC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1 4833686 DYZLTCFNAHWUMS-FMIVXFBMSA-N 315.285 1.705 5 50 DDBA O=C(N[C@H](CO)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 6240170 MAJYFSCAILRNTF-AWEZNQCLSA-N 300.314 1.928 5 50 DDBA Cn1nccc1N1CCC[C@H](Nc2ncc([N+](=O)[O-])s2)C1 241657593 PXNLBPBWAHSUIB-VIFPVBQESA-N 308.367 1.866 5 50 DDBA Cc1c(NC(=O)N[C@H]2C(=O)OCC2(C)C)cccc1[N+](=O)[O-] 585119470 IOKACZTUQCMLLJ-NSHDSACASA-N 307.306 1.976 5 50 DDBA CCCc1nc2ccccc2n2cc3c(=O)n(C)c(=O)n(C)c3c12 530240 ODNJZJDLUSCSSL-UHFFFAOYSA-N 322.368 1.991 5 50 DDBA COC(=O)c1cccc(NC(=O)c2c([N+](=O)[O-])cnn2C)c1 2762435 QQMBEFWQKYTZOL-UHFFFAOYSA-N 304.262 1.367 5 50 DDBA O=C1O[C@H]2C[C@H]3C[C@@H]2[C@H]1[C@@H]3C(=O)Nc1cccc([N+](=O)[O-])c1 239222052 UHCXMHUYYNWACA-RECBEJSDSA-N 302.286 1.731 5 50 DDBA CCc1[nH]nc(C(=O)Nc2cnc(C3CC3)nc2)c1[N+](=O)[O-] 170591224 YLIUWJHRMXTSIW-UHFFFAOYSA-N 302.294 1.800 5 50 DDBA Cn1nc([N+](=O)[O-])nc1Sc1nc(-c2ccccc2)n[nH]1 544310 KZDUITOJWHUFHU-UHFFFAOYSA-N 303.307 1.660 5 50 DDBA O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 3885225 ZWXQXPHBRFHIRB-UHFFFAOYSA-N 306.727 1.269 5 50 DDBA O=S1(=O)CC[N+]2(CCN(c3ccc(Cl)cc3)CC2)CC1 1775989000 YIJRUOZIKBBNQC-UHFFFAOYSA-N 315.846 1.405 5 50 DDBA CC12CN3CC(C)(CN(C1)C3c1ccc([N+](=O)[O-])cc1)C2=O 19312836 HVIXHOGZVXKQKA-UHFFFAOYSA-N 301.346 1.820 5 50 DDBA biogenic O=C(O)CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 3880210 XTFUTQNQOZECIO-UHFFFAOYSA-N 307.306 1.108 5 50 DDBA Cc1nc2c([N+](=O)[O-])c3c(c([N+](=O)[O-])c2[nH]1)Nc1nonc1N3 8974530 QKNQQQSWCZLJQG-UHFFFAOYSA-N 318.209 1.871 5 50 DDBA C[C@@H]1CCN(C(=O)COC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])[C@@H]2CCCC[C@H]12 170652701 CUHULBFRFMWBLB-KSTCHIGDSA-N 324.377 1.622 5 50 DDBA CC(C)OC(=O)C[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccccc1 239539198 AVUXGTAVPNLZIB-HZSPNIEDSA-N 320.345 1.851 5 50 DDBA CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 157189287 QVLSDOGXQOMYET-WQAKAFBOSA-N 306.318 1.844 5 50 DDBA Cc1cc(NCC23COCCN2CCOC3)ccc1[N+](=O)[O-] 585132584 BCBGWXIZNKHBRG-UHFFFAOYSA-N 307.350 1.416 5 50 DDBA Cc1nnc(N2CCN(c3nccc(C)c3[N+](=O)[O-])CC2)s1 952992517 HEFDDJXSPGYAJZ-UHFFFAOYSA-N 320.378 1.785 5 50 DDBA Cn1cnnc1Sc1cc(N2CCOCC2)ccc1[N+](=O)[O-] 4083478 KHYPJUJAJGALLW-UHFFFAOYSA-N 321.362 1.711 5 50 DDBA COC[C@@]1(O)CCCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 1775994044 QRLFKHUTDSIFMW-OAHLLOKOSA-N 308.334 1.598 5 50 DDBA O=[N+]([O-])c1cc(Br)cnc1N1CC[C@@H](CO)C1 35270421 HDLFBYXQADTACU-SSDOTTSWSA-N 302.128 1.571 5 50 DDBA in-vitro O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CC[C@H]2OCCC[C@H]2C1 119273955 NQJHRROJZZGTAJ-SMDDNHRTSA-N 306.318 1.942 5 50 DDBA COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(O)c([N+](=O)[O-])c1 36226565 IGEFVDJQFCQCST-LBPRGKRZSA-N 321.289 1.444 5 50 DDBA COc1cc([N+](=O)[O-])ccc1NC(=S)NN1CCOCC1 5041250 TUEASDMFPYLBFF-UHFFFAOYSA-N 312.351 1.137 5 50 DDBA CC(C)[C@@H](Nc1cc(F)c([N+](=O)[O-])cc1[N+](=O)[O-])C(N)=O 4521447 ZTFFRKNPAXXEBL-SNVBAGLBSA-N 300.246 1.564 5 50 DDBA in-vitro Cc1cc(C(=O)N(C)CCN(C)c2ncccc2[N+](=O)[O-])no1 1105321283 HXPJXPHJFGAJLZ-UHFFFAOYSA-N 319.321 1.495 5 50 DDBA C[C@H]1CN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CCN1 4551514 KXFXSEAONYTOJI-LBPRGKRZSA-N 306.366 1.230 5 50 DDBA Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H](Cn1cccn1)C(C)(C)C 2782605 NHCGWUDGAANIOI-LLVKDONJSA-N 320.353 1.370 5 50 DDBA CNC(=O)COc1cccc(Oc2c([N+](=O)[O-])c(C)nn2C)c1 161596706 BMSNCRQCYFVDFK-UHFFFAOYSA-N 320.305 1.554 5 50 DDBA Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1[N+](=O)[O-] 4947777 UDZLBCMRGAVVSB-SNVBAGLBSA-N 300.336 1.361 5 50 DDBA O=C(Cn1ccc([N+](=O)[O-])n1)NCCc1ccc(Cl)cc1 1069055 VRMVVEJLDKZBPV-UHFFFAOYSA-N 308.725 1.804 5 50 DDBA O=c1c2cc3c(=O)n(C4CC4)ccc3nc2ccn1-c1ccn[nH]1 40399042 HBOIRMPLYCAIEO-UHFFFAOYSA-N 319.324 1.759 5 50 DDBA CCOC(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)CC1 1230376 AODRKQYGBCFWFL-UHFFFAOYSA-N 321.333 1.818 5 50 DDBA CCN(CCN(C)C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] 215958 XPBDRYZZKKTAMO-UHFFFAOYSA-N 311.382 1.996 5 50 DDBA Cc1nc(O)ccc1C(=O)NCCNc1ccccc1[N+](=O)[O-] 155840855 MLEMEGVOVPKLRE-UHFFFAOYSA-N 316.317 1.846 5 50 DDBA O=c1[nH]c(O)nc(/C=C/c2ccc(O)c(Cl)c2)c1[N+](=O)[O-] 15009217 ZUUNMDBGCNUXNB-HNQUOIGGSA-N 309.665 1.913 5 50 DDBA O=[N+]([O-])c1cc([N+](=O)[O-])c2cccnc2c1N1CCOCC1 3880397 MCGIKONWYKDOFW-UHFFFAOYSA-N 304.262 1.888 5 50 DDBA NCCCCCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 698119314 JPWVOQMKAZFHSN-UHFFFAOYSA-N 301.368 1.392 5 50 DDBA C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@@H](C)O1 13155035 FRPPZYHJVXVLNL-DTORHVGOSA-N 309.278 1.752 5 50 DDBA Cc1c(Br)c([N+](=O)[O-])nn1CCN1CCOCC1 20294611 XKIOQBNICVXEQK-UHFFFAOYSA-N 319.159 1.194 5 50 DDBA N[C@@H](CNc1ncc([N+](=O)[O-])cc1Br)C1CC1 129318840 CUFJQUOPGPQWDS-VIFPVBQESA-N 301.144 1.902 5 50 DDBA CN(Cc1cc(Cl)cn1C)C(=O)c1cnc(O)c([N+](=O)[O-])c1 193691356 WDTSQQAHWSIVAL-UHFFFAOYSA-N 324.724 1.960 5 50 DDBA Cc1nn(C)cc1S(=O)(=O)Nc1ccc(F)c([N+](=O)[O-])c1 17052656 CMWJXJNJJUTZII-UHFFFAOYSA-N 314.298 1.577 5 50 DDBA Cc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@](C)(O4)[C@@H]3C2=O)cc1[N+](=O)[O-] 169617533 HAOQAKSTJMZPAN-NFFDBFGFSA-N 314.297 1.736 5 50 DDBA CCOC(=O)C(C(=O)OCC)[C@H](C[N+](=O)[O-])c1ccccc1 2033547 VQKSJEVJSPWVIE-GFCCVEGCSA-N 309.318 1.789 5 50 DDBA O=C(N1CCOCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4043680 QBXDVYMXHRSGQQ-UHFFFAOYSA-N 320.349 1.169 5 50 DDBA COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(C)c([N+](=O)[O-])c1 5969338 YMQPMGAYQVDFKC-LBPRGKRZSA-N 321.358 1.869 5 50 DDBA O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1CC[C@@H](C2CC2)N1 593910126 RLCKZFHKEHTBDU-KBPBESRZSA-N 303.362 1.784 5 50 DDBA Cc1c(NC(=O)N[C@@H]2CCC[C@@H]2C(N)=O)cccc1[N+](=O)[O-] 421035073 CFICGSRDGGVUMM-GXSJLCMTSA-N 306.322 1.679 5 50 DDBA NS(=O)(=O)C[C@H]1CCCN1c1ccc(Cl)cc1[N+](=O)[O-] 349219576 RCXDCIWFRJCPRE-SECBINFHSA-N 319.770 1.506 5 50 DDBA COC(=O)COc1ccc([N+](=O)[O-])c(OCC(=O)OC)c1C 670425885 LMFRQKIWAHGQTM-UHFFFAOYSA-N 313.262 1.007 5 50 DDBA Cc1cn(C)nc1CNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] 1615605755 NIFANZOVDJGCQN-UHFFFAOYSA-N 324.362 1.424 5 50 DDBA CCOC(=O)C1CCC(O)(Cn2cc([N+](=O)[O-])c(C)n2)CC1 191737262 HLYJGMZXIKQQKQ-UHFFFAOYSA-N 311.338 1.584 5 50 DDBA Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCc1cnoc1C 952995287 HJIQTAHZEWMISN-UHFFFAOYSA-N 311.319 1.678 5 50 DDBA C[C@@H](CS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCOCC1 19882971 NJDLIXJAIFHRRR-NSHDSACASA-N 314.363 1.089 5 50 DDBA O=C(O)C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 169240 XNSKDSWGZNOIHJ-UHFFFAOYSA-N 314.319 1.080 5 50 DDBA Cc1nn(C)c(N[C@H]2CN(c3ccc(F)cc3)C2=O)c1[N+](=O)[O-] 253426542 RUQTXYNGBGMAAH-NSHDSACASA-N 319.296 1.603 5 50 DDBA C[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 222248038 WGQIDENZQJCDIA-ZAZJYDDPSA-N 300.270 1.428 5 50 DDBA CO[C@H](C)CS(=O)(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C 585129099 XXZOHLAJSCUPRV-NXEZZACHSA-N 314.363 1.711 5 50 DDBA Cc1nc(N2CCC(C)CC2)nc(N(C)CCO)c1[N+](=O)[O-] 4951134 WVHQMNYCYZPCMQ-UHFFFAOYSA-N 309.370 1.358 5 50 DDBA CC1(C)[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@H]2CCO[C@H]21 230191688 QVLSDOGXQOMYET-OASPWFOLSA-N 306.318 1.844 5 50 DDBA O=C(Nc1nccc(-c2ccco2)n1)c1n[nH]cc1[N+](=O)[O-] 6414077 BJBWZSPGGDBMHS-UHFFFAOYSA-N 300.234 1.620 5 50 DDBA COC(=O)c1ccc(NC(=O)[C@H](C)n2cc([N+](=O)[O-])cn2)cc1 1421976 JPHSJXVFTYEXCI-VIFPVBQESA-N 318.289 1.778 5 50 DDBA CC1(C)SC[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)N1C=O 77943 HERXHCFVWWCADX-LLVKDONJSA-N 309.347 1.843 5 50 DDBA COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C(=O)O)[C@H]2C[C@H]2C)c1 1875353516 VXBYCKPVBZJUAZ-FDOIEUKUSA-N 308.290 1.442 5 50 DDBA CCC[C@@H]1CNCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 440828193 APQBYQQQICAIAV-GFCCVEGCSA-N 313.379 1.357 5 50 DDBA CNc1nccc(C(=O)N[C@@H]2CCOC(C)(C)C2)c1[N+](=O)[O-] 408517738 NKEJELDQVVVIFB-SECBINFHSA-N 308.338 1.719 5 50 DDBA CC(=O)NC1=NN(C(C)=O)[C@H](c2cccc([N+](=O)[O-])c2)S1 184162 QSJALDLSEXKQOW-NSHDSACASA-N 308.319 1.596 5 50 DDBA COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 101359131 DBERPQOTGLWBFM-QYAIJTBZSA-N 314.297 1.915 5 50 DDBA CN(C[C@@H](O)C(F)(F)F)C(=O)c1ccc(O)c([N+](=O)[O-])c1 119721749 BBJKSLRKTVMTJB-SECBINFHSA-N 308.212 1.296 5 50 DDBA O=[N+]([O-])c1cc2cn[nH]c2cc1N1CCO[C@H]([C@@H]2CCCO2)C1 1775987053 OPNAJRCUNRMSPW-GJZGRUSLSA-N 318.333 1.855 5 50 DDBA COC(=O)CC1(Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)CC1 281550765 YWIQXIOKFOATPO-UHFFFAOYSA-N 317.301 1.648 5 50 DDBA O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccccc2CO)c1 4662689 ZRCKXYJNXNCHRM-UHFFFAOYSA-N 308.315 1.888 5 50 DDBA Cc1cc(=O)n2c(n1)NC(=S)N[C@H]2c1cccc([N+](=O)[O-])c1 1740816358 AXGQKYMMXREFIP-LLVKDONJSA-N 317.330 1.307 5 50 DDBA Cn1ncc([N+](=O)[O-])c1NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 184407569 HKXWBALWRTVSON-SECBINFHSA-N 321.337 1.058 5 50 DDBA Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)c1ncccn1 170618553 RMCQWHTVOBWMOU-UHFFFAOYSA-N 308.319 1.518 5 50 DDBA Cn1ccc(N2CCC[C@H](Nc3ncc([N+](=O)[O-])s3)C2=O)n1 192467887 VFLMWJQSXJCDPI-QMMMGPOBSA-N 322.350 1.392 5 50 DDBA CC1(C)[C@H](Nc2ncccc2[N+](=O)[O-])C[C@H]1N1CCOCC1 585092111 FVRSDXSJMFNAEH-CHWSQXEVSA-N 306.366 1.901 5 50 DDBA CNC(=O)[C@H]1CCC[C@H]1Nc1c(C(=O)OC)cccc1[N+](=O)[O-] 585093037 ZIUMJSIEZPDDHZ-GXSJLCMTSA-N 321.333 1.708 5 50 DDBA Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@]3(CCCOC3)C2)n1 408093404 BNSMYWQMHPATGR-CQSZACIVSA-N 308.338 1.361 5 50 DDBA COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c([N+](=O)[O-])c1 100065654 CLINSXWBVGSCLK-WBRVRECLSA-N 314.297 1.915 5 50 DDBA O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N1CCOCC1 613481 QBNLGSKXWVCNIS-UHFFFAOYSA-N 300.698 1.486 5 50 DDBA CCOC[C@H]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 328597059 CZIPJCRLRGKVCK-FZMZJTMJSA-N 308.334 1.513 5 50 DDBA O=C(c1ccco1)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 19757824 NAAYECCLYVWGOC-UHFFFAOYSA-N 302.290 1.545 5 50 DDBA CCOc1cc(NC[C@H]2CN3CCN2CC3)ccc1[N+](=O)[O-] 170683231 WMIOFSSJWPDJCE-ZDUSSCGKSA-N 306.366 1.405 5 50 DDBA Cc1ccc(C(=O)Nc2c(C)nc(O)nc2O)cc1[N+](=O)[O-] 408513109 KUHBPIQUECVIND-UHFFFAOYSA-N 304.262 1.665 5 50 DDBA Cc1nc(C2CN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)n[nH]1 1634351744 BMRWLDHCMOALJY-UHFFFAOYSA-N 321.724 1.914 5 50 DDBA COC(=O)c1cc(C(=O)Nc2cc(C)on2)cc([N+](=O)[O-])c1 456039 AKFIJTKXEGOFSE-UHFFFAOYSA-N 305.246 1.930 5 50 DDBA O=C(CN1CCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4188652 RICCPVFAPHNEBF-UHFFFAOYSA-N 318.377 1.339 5 50 DDBA O=[N+]([O-])c1cnc(Nc2ccc(Cl)c[n+]2[O-])c([N+](=O)[O-])c1 4981640 JJGYYPDSENYCIR-UHFFFAOYSA-N 311.641 1.928 5 50 DDBA N[C@H](CNc1ncc([N+](=O)[O-])cc1Br)C1CC1 129319046 CUFJQUOPGPQWDS-SECBINFHSA-N 301.144 1.902 5 50 DDBA CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 157189590 QVLSDOGXQOMYET-BIMULSAOSA-N 306.318 1.844 5 50 DDBA Cc1c(NC(=O)N2CC(O)(C(F)F)C2)cccc1[N+](=O)[O-] 585120088 QBMGUEDQCGBNBV-UHFFFAOYSA-N 301.249 1.747 5 50 DDBA CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc3c(c2)OCO3)n1 4743839 FFMMGCYPPHTPAJ-UHFFFAOYSA-N 318.289 1.470 5 50 DDBA COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc([N+](=O)[O-])s1 69724 FFGKBMNSYASWIK-SNVBAGLBSA-N 311.319 1.799 5 50 DDBA C[C@@H]1CN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC[C@H]1C 253370387 QDRTZHLQNKWHQN-NXEZZACHSA-N 313.379 1.725 5 50 DDBA CCOc1ccc(C(=O)N[C@@H](C(=O)O)C(C)C)cc1[N+](=O)[O-] 262868360 INHOZNMQKJEBPX-GFCCVEGCSA-N 310.306 1.833 5 50 DDBA COC(=O)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 151131810 LBLGKNLTSMLACK-ZCFIWIBFSA-N 320.223 1.905 5 50 DDBA CCOc1ccc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])cc1 4714218 CPTPPMRMJYKAFK-VMPITWQZSA-N 303.274 1.953 5 50 DDBA C[C@H](CO)Nc1cc(I)ccc1[N+](=O)[O-] 1775991397 RQUSFYWPJVRINO-ZCFIWIBFSA-N 322.102 1.992 5 50 DDBA Cc1cc([N+](=O)[O-])cnc1N1CCN(CC(C)(C)O)[C@@H](C)C1 275620298 UVNCHMKWOLFAIS-LBPRGKRZSA-N 308.382 1.580 5 50 DDBA CC(=O)N(C)CC(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 585128708 LLXSGEGDGAZXSU-UHFFFAOYSA-N 317.704 1.482 5 50 DDBA COc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] 4991041 KSNCXVFNNAPSDE-UHFFFAOYSA-N 300.336 1.778 5 50 DDBA CS(=O)(=O)CC1(CNc2ccc([N+](=O)[O-])cc2F)CC1 267716958 UJLROICBZNXFDO-UHFFFAOYSA-N 302.327 1.971 5 50 DDBA COc1ccc(OC)c(NC(=O)Cn2ccc([N+](=O)[O-])n2)c1 1427944 OCDZKIGZMKLQOL-UHFFFAOYSA-N 306.278 1.447 5 50 DDBA O=[N+]([O-])c1ccc(C(N2CCOCC2)N2CCOCC2)cc1 19300880 ZXAXYKMMBOCCER-UHFFFAOYSA-N 307.350 1.258 5 50 DDBA CCOC(=O)c1c[nH]c2c(=O)oc3c(OC)cccc3c2c1=O 39276912 JDXKOWGBBKQDIY-UHFFFAOYSA-N 315.281 1.820 5 50 DDBA CN1CC[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)c2ccccc21 1875259972 PHYNDSJQOLIIMI-ZDUSSCGKSA-N 315.333 1.489 5 50 DDBA O=C(NS(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 5604147 OQEUNFWYPVZJNK-UHFFFAOYSA-N 306.299 1.714 5 50 DDBA C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1S(=O)(=O)c1ccnn1C 585129085 XGSAMYPJAGDLKW-VIFPVBQESA-N 322.346 1.468 5 50 DDBA COCCNC(=O)CNc1c(C)cc([N+](=O)[O-])cc1Cl 225543644 MXSKMNBYUFXXQW-UHFFFAOYSA-N 301.730 1.731 5 50 DDBA CCOC(=O)C1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1 225501451 ULGOTJFONOIEFN-UHFFFAOYSA-N 322.317 1.716 5 50 DDBA O=C(/C=C/c1ccccc1[N+](=O)[O-])NCCN1CCOCC1 20169607 UQOMVTPYCUFTPS-AATRIKPKSA-N 305.334 1.056 5 50 DDBA O=C(O)CCCn1cc(NC(=O)c2ccccc2[N+](=O)[O-])cn1 4693764 VODOBAFOMBBGLJ-UHFFFAOYSA-N 318.289 1.908 5 50 DDBA CC(C)c1[nH]nc(C(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@H]4O)c1[N+](=O)[O-] 408428378 CXHGYAOHXUHXHF-ZPOVSZSPSA-N 320.349 1.283 5 50 DDBA O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CC[C@@H]2C2CC2)cc1 408519829 MJJJJSNYVZVHCG-CQSZACIVSA-N 310.375 1.853 5 50 DDBA CCOC(=O)/C(=C/c1ccnn1C)c1ccc([N+](=O)[O-])cn1 225395520 GVPDZNZKFAWTRK-XYOKQWHBSA-N 302.290 1.827 5 50 DDBA CCOc1cc(NS(=O)(=O)C[C@@H](C)OC)ccc1[N+](=O)[O-] 585129192 AXLXMDBYEWONHM-SECBINFHSA-N 318.351 1.770 5 50 DDBA COc1ccc(OC)c(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])c1 4414103 GIMLNYJYUGGRPH-HWKANZROSA-N 319.273 1.571 5 50 DDBA O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cccc(C(F)(F)F)c1 197123 FLNLVLQTKILKIZ-UHFFFAOYSA-N 315.211 1.844 5 50 DDBA O=C(NCc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CSCCS1 1616036937 BYVXGTQDGSEJHG-NSHDSACASA-N 314.388 1.765 5 50 DDBA CO[C@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CC[C@@H]1C 170603474 CCZXTRATEUKDFX-FZMZJTMJSA-N 308.334 1.857 5 50 DDBA COc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)c([N+](=O)[O-])c1 101359949 YALSXDFXEYVAAF-NDBYEHHHSA-N 316.269 1.046 5 50 DDBA COCCN1CCCN(c2cc(F)ccc2[N+](=O)[O-])CC1=O 253425989 FIXUJQVYLZZHDX-UHFFFAOYSA-N 311.313 1.419 5 50 DDBA C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2N)C[C@@H](C)O1 3878346 VOVQZRKSCHGYNT-HTQZYQBOSA-N 324.293 1.335 5 50 DDBA CCC(=O)Nc1cc(SC[C@@H](O)CO)cc([N+](=O)[O-])c1 2760686 YFLCQNSFXRWXDO-JTQLQIEISA-N 300.336 1.389 5 50 DDBA CCOc1ccccc1C(=O)NCCn1cc([N+](=O)[O-])cn1 2796531 XNXKZZJVEHOXBH-UHFFFAOYSA-N 304.306 1.620 5 50 DDBA CCCc1[nH]nc(C(=O)N[C@@H](C)c2nccn2CC)c1[N+](=O)[O-] 456385653 MECXDJJJOMNBBL-VIFPVBQESA-N 320.353 1.978 5 50 DDBA CN(Sc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 2995399 SJZPHOGNFANLPP-JTQLQIEISA-N 302.377 1.721 5 50 DDBA CC(=O)c1cccc(NC(=O)Cn2nc([N+](=O)[O-])cc2C)c1 1428831 NGTYISBQPPWDSV-UHFFFAOYSA-N 302.290 1.941 5 50 DDBA CCN(C)[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 170616427 YTJXBCJCXCQWBF-LBPRGKRZSA-N 313.379 1.310 5 50 DDBA COC(=O)c1cc([N+](=O)[O-])c(C(=O)OC)cc1N1CCOCC1 4192039 IEPOQONDTYGCCE-UHFFFAOYSA-N 324.289 1.005 5 50 DDBA O=C(O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 37337 HBPKKCWUSYDGFM-JTQLQIEISA-N 314.319 1.223 5 50 DDBA COCCC(=O)N1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1 225725243 YGDDKSGUZKNYSU-UHFFFAOYSA-N 311.313 1.419 5 50 DDBA O=C(NCCOC(=O)c1ccc([N+](=O)[O-])cc1)c1cccnc1 2022820 IOFRXSAMZKOXKO-UHFFFAOYSA-N 315.285 1.577 5 50 DDBA COc1ccc(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])cc1OC 1295893 ZZYXOZDOAUYJMM-UHFFFAOYSA-N 320.305 1.308 5 50 DDBA Cc1ocnc1CN(C)[C@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 1775990740 ZCVVVSQFXQHUGC-ZDUSSCGKSA-N 317.349 1.997 5 50 DDBA O=C([C@H]1CCCN1C1CC1)N1CCc2ncc([N+](=O)[O-])cc2C1 225627639 UZWGFQVZQATSBH-OAHLLOKOSA-N 316.361 1.501 5 50 DDBA CC(C)[C@H]1CNCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 599102496 OMPPOEULGDMLDH-GFCCVEGCSA-N 313.379 1.213 5 50 DDBA CC(=O)/N=c1\sccn1CC(=O)c1ccc([N+](=O)[O-])cc1 13111253 QRUJUBAZSXGARF-YPKPFQOOSA-N 305.315 1.788 5 50 DDBA C[C@H](CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCOCC1 19868881 HINAWLPGHRVDCQ-LLVKDONJSA-N 314.363 1.089 5 50 DDBA CCOC(=O)[C@@H](NC(=O)CC)[C@@H](O)c1cccc([N+](=O)[O-])c1 2907549 NOSQYOWEBITMLS-STQMWFEESA-N 310.306 1.086 5 50 DDBA CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 20167431 IQDVUVFPLGHUQY-UHFFFAOYSA-N 318.377 1.583 5 50 DDBA Cc1c(Cn2cc(S(=O)(=O)N(C)C)cn2)cccc1[N+](=O)[O-] 348114454 SVIMBCREDUHTGF-UHFFFAOYSA-N 324.362 1.398 5 50 DDBA CC(=O)N[C@]1(c2nc(-c3cc([N+](=O)[O-])c[nH]3)cs2)CCNC1 356879584 DOZSHDNGTITXCO-CYBMUJFWSA-N 321.362 1.371 5 50 DDBA CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1[N+](=O)[O-] 5247355 YOEWOZKUGHLERD-LBPRGKRZSA-N 321.358 1.951 5 50 DDBA CCOC(=O)CN1C(=O)COc2cc([N+](=O)[O-])c(Cl)cc21 4648791 WXKFBJXTFFNIMF-UHFFFAOYSA-N 314.681 1.537 5 50 DDBA CCOC(=O)c1[nH]cnc1C(=O)Nc1ccc([N+](=O)[O-])cc1 6783904 KREPWCAHIBLEAU-UHFFFAOYSA-N 304.262 1.747 5 50 DDBA O=[N+]([O-])c1ccc(S(=O)(=O)NCCC2CCNCC2)cc1 593732913 RGBVJFVNZSGKNF-UHFFFAOYSA-N 313.379 1.263 5 50 DDBA Cn1c(/C=C/c2ccc(Cl)cc2)c([N+](=O)[O-])c(=O)n(C)c1=O 4132110 MFEKLZGOECMWCA-VMPITWQZSA-N 321.720 1.816 5 50 DDBA O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H]2CCc3c(O)cccc32)c1 296962570 YIRUTSBKPVIQOW-RISCZKNCSA-N 318.333 1.135 5 50 DDBA O=C(Cc1ccc([N+](=O)[O-])cc1)OC[C@@H]1CC(=O)N(C2CC2)C1 584907862 NYXCNMDXDIYCIE-GFCCVEGCSA-N 318.329 1.691 5 50 DDBA C[C@@H]1COCCN1C1CCN(c2ncccc2[N+](=O)[O-])CC1 585092294 NYQIZHZEEMRKSH-GFCCVEGCSA-N 306.366 1.679 5 50 DDBA Cc1cc(OCc2nc(-c3nonc3N)no2)ccc1[N+](=O)[O-] 3672508 WDEWKLCVYNKVEO-UHFFFAOYSA-N 318.249 1.497 5 50 DDBA COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccccc1[N+](=O)[O-] 71022 JBIYEDHAISFPCC-NSHDSACASA-N 316.277 1.043 5 50 DDBA Cn1nnnc1Sc1ncc([N+](=O)[O-])cc1Br 301516763 FPOOVXSVDNIJEG-UHFFFAOYSA-N 317.128 1.427 5 50 DDBA CCCc1[nH]nc(C(=O)N[C@@H]2CN(CC)C[C@@H]2C)c1[N+](=O)[O-] 610672986 FJGHJAQNTFCQFK-GXSJLCMTSA-N 309.370 1.340 5 50 DDBA Cc1nn([C@H](C)C(=O)NCc2cnn(C)c2C)c(C)c1[N+](=O)[O-] 484242 HQJRUHBYFHRVHM-LLVKDONJSA-N 320.353 1.327 5 50 DDBA Cc1c(CS(=O)(=O)Cc2ccnn2C)cccc1[N+](=O)[O-] 194409209 QFZHICLHBATIBP-UHFFFAOYSA-N 309.347 1.752 5 50 DDBA C[C@@H](SCc1ccc([N+](=O)[O-])cc1)C(=O)N1CCNC1=O 131344621 KQLWUUNBPHJQQM-SECBINFHSA-N 309.347 1.768 5 50 DDBA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1O 239275019 BBTPSLCJNDWLJS-GYBADROVSA-N 318.285 1.762 5 50 DDBA Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCCSC1 952995716 WIXAEDHBRAEFTC-UHFFFAOYSA-N 302.377 1.988 5 50 DDBA COc1cc(Cl)ccc1NC(=O)Cn1cnc([N+](=O)[O-])n1 197138 BZFIKHHBVQWSPQ-UHFFFAOYSA-N 311.685 1.487 5 50 DDBA COC(=O)c1ccc([N+](=O)[O-])cc1I 1661208 KRAIRAIRCFXHRZ-UHFFFAOYSA-N 307.043 1.986 5 50 DDBA Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc2c(c1)OCCO2 4873196 UXHBMWNJODLLGC-UHFFFAOYSA-N 318.289 1.510 5 50 DDBA O=C(C[C@@H]1CSCCN1)N1Cc2ccc([N+](=O)[O-])cc2C1 170050187 UNQHRINRCBSWFA-GFCCVEGCSA-N 307.375 1.532 5 50 DDBA COc1ccc([C@H](C)NC(=O)[C@H]2CN[C@H](C)C2)cc1[N+](=O)[O-] 2325827939 UWPJVCZCRHWTPU-JFGNBEQYSA-N 307.350 1.779 5 50 DDBA O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H]2CCc3c(O)cccc32)c1 296962582 YIRUTSBKPVIQOW-SMDDNHRTSA-N 318.333 1.135 5 50 DDBA CS(=O)(=O)N[C@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1 170596354 DKAGDRRHRCEKRG-OLZOCXBDSA-N 313.379 1.867 5 50 DDBA COc1cc([C@H]2NC(=O)CC[C@@H]2[N+](=O)[O-])cc(OC)c1OC 36485 FAEBZOJHRLNECM-TVQRCGJNSA-N 310.306 1.309 5 50 DDBA Cc1ccc(C(=O)NC(=S)NC[C@@H]2CCCO2)cc1[N+](=O)[O-] 1049950 DSLHGAGNBVJENP-NSHDSACASA-N 323.374 1.687 5 50 DDBA CCOC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])nn2C)cc1 4785044 YPPMDHZTWRNLJF-UHFFFAOYSA-N 318.289 1.757 5 50 DDBA CCCn1c(=N)c(C(=O)OC)cc2c(=O)n3ccccc3nc21 100309690 KBYDDKVFLXWYDG-UHFFFAOYSA-N 312.329 1.325 5 50 DDBA O=C(N[C@H]1CCCC[C@@H]1CO)c1[nH]nc([N+](=O)[O-])c1Cl 1775985505 ATFRFAROQDHFER-RQJHMYQMSA-N 302.718 1.252 5 50 DDBA CC1(C)CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC(C)(C)O1 408262358 ITFJDGOMXYYAFS-UHFFFAOYSA-N 324.381 1.942 5 50 DDBA CCOC(=O)CN1CCCN(c2cc(N)ccc2[N+](=O)[O-])CC1 192795295 LSDYBRSSKHSSQS-UHFFFAOYSA-N 322.365 1.252 5 50 DDBA C[C@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC(C)(C)O1 151721103 VRISXUPQKPCHHJ-JTQLQIEISA-N 311.342 1.000 5 50 DDBA O=C1CN(Cc2ccc([N+](=O)[O-])cc2)CCN1CC(F)(F)F 241139472 JREZNMJROZPCPR-UHFFFAOYSA-N 317.267 1.801 5 50 DDBA CCOC(=O)c1cn(CCNc2ncc(F)cc2[N+](=O)[O-])cn1 585092716 KFQLDROSLBCGCZ-UHFFFAOYSA-N 323.284 1.614 5 50 DDBA C[C@H]1CN(c2ncnc3sc([N+](=O)[O-])cc23)CC(=O)N1C 286479693 OXFLCZMWZPEJJP-ZETCQYMHSA-N 307.335 1.266 5 50 DDBA CCOC(=O)Cc1ccc(N2CC(C)(OC)C2)c([N+](=O)[O-])c1 585089044 QXYFDQBVXVNSSM-UHFFFAOYSA-N 308.334 1.926 5 50 DDBA Cn1c(/C=C/c2ccccc2Cl)c([N+](=O)[O-])c(=O)n(C)c1=O 4132111 FFRBIQULNRZTHV-BQYQJAHWSA-N 321.720 1.816 5 50 DDBA C[C@]1(C(=O)Oc2ccccc2)CS(=O)(=O)C[C@]1(C)[N+](=O)[O-] 4991927 AYSGFCYSJDXKLE-OLZOCXBDSA-N 313.331 1.062 5 50 DDBA CCn1cc(NC(=O)c2cccc([N+](=O)[O-])c2)c(C(N)=O)n1 2796418 ABYIASNZGPBJCU-UHFFFAOYSA-N 303.278 1.162 5 50 DDBA O=C(CN1CCC2(CC1)OCCO2)Nc1cccc([N+](=O)[O-])c1 17055675 OKSHDQFWACWVJR-UHFFFAOYSA-N 321.333 1.372 5 50 DDBA C[S@@](=O)CCCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 110592494 ZCPKPILANHUOKV-NRFANRHFSA-N 311.363 1.660 5 50 DDBA CC(C)NS(=O)(=O)CCNc1ccc(F)cc1[N+](=O)[O-] 195248503 GOQBFGRZPVOBJX-UHFFFAOYSA-N 305.331 1.474 5 50 DDBA CN1C=C(C(=O)NCCCCC[N+](C)(C)C)C=C/C1=C\N=O 137049973 IMORNGWAKYFODX-NTCAYCPXSA-O 307.418 1.972 5 50 DDBA CCOC(=O)C1=C(O)C(=O)N(C)[C@@H]1c1ccc([N+](=O)[O-])cc1 443878 FRNMWDNGNPNYES-LLVKDONJSA-N 306.274 1.483 5 50 DDBA COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C(=O)O)[C@H]2C[C@@H]2C)c1 1875353515 VXBYCKPVBZJUAZ-DXBFQKDVSA-N 308.290 1.442 5 50 DDBA Cc1cc([N+](=O)[O-])nn1CC(=O)N[C@H]1CCOc2ccccc21 170619297 JZWYDOVGAFDEDO-LBPRGKRZSA-N 316.317 1.740 5 50 DDBA COc1cc(CN2CCC[C@@H](CO)C2)c([N+](=O)[O-])cc1OC 4947948 NXAHNPQKPDNOEP-LLVKDONJSA-N 310.350 1.816 5 50 DDBA Cc1ccc([N+](=O)[O-])c2c(CCCC(=O)O)c(C(N)=O)[nH]c12 1775971077 NOATWHYIOBLZPT-UHFFFAOYSA-N 305.290 1.891 5 50 DDBA O=C(C[C@@H](NC1CCCC1)C(=O)O)Nc1cccc([N+](=O)[O-])c1 4280091 YMLSRFFCXWAGGX-CYBMUJFWSA-N 321.333 1.909 5 50 DDBA CN1CCN(c2ccc([N+](=O)[O-])c(NC[C@H]3CCCO3)c2)CC1 4688065 SAOZWYITSQHLQD-CQSZACIVSA-N 320.393 1.938 5 50 DDBA Cc1cc(C)nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 2169893 YIIHPIGMCBQDRD-UHFFFAOYSA-N 308.319 1.802 5 50 DDBA in-vitro CC[C@H](Nc1c([N+](=O)[O-])cc(CO)c(C)c1[N+](=O)[O-])[C@H](C)O 958659422 GWZPKSACAXIJKR-WPRPVWTQSA-N 313.310 1.875 5 50 DDBA O=C(O)CC[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O 4517579 NZBKHTRVUNPZEN-QMMMGPOBSA-N 313.222 1.233 5 50 DDBA Cc1nn(CC(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1[N+](=O)[O-] 2102631 QUAMLCSCMCOUDC-UHFFFAOYSA-N 319.277 1.955 5 50 DDBA Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)c1nc(=O)[nH][nH]1 170088541 XHQKWJGEBBHJRZ-SECBINFHSA-N 319.321 1.422 5 50 DDBA COC(=O)c1cc([N+](=O)[O-])cc(I)c1N 95643193 JGLIHRORSOKBPN-UHFFFAOYSA-N 322.058 1.568 5 50 DDBA in-vitro NS(=O)(=O)C[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1 585133641 OPYDIVIRLPGVMB-CYBMUJFWSA-N 313.379 1.238 5 50 DDBA C[C@@]1(C(=O)Oc2ccccc2)CS(=O)(=O)C[C@]1(C)[N+](=O)[O-] 4991928 AYSGFCYSJDXKLE-STQMWFEESA-N 313.331 1.062 5 50 DDBA CNC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)c1=N 100630588 VFFVSHYVVBBGJE-UHFFFAOYSA-N 311.345 1.069 5 50 DDBA Cc1nn(CC(=O)N=S(C)(C)=O)c2ccc([N+](=O)[O-])cc12 874435275 QBWBKKGAEXJHRA-UHFFFAOYSA-N 310.335 1.507 5 50 DDBA Cn1c(CNC(=O)c2ccccc2[N+](=O)[O-])nnc1C1CCC1 170594427 QDMFXAFWGMQDPW-UHFFFAOYSA-N 315.333 1.921 5 50 DDBA C[C@H](C(=O)Nc1ccc2c(c1)OCO2)n1cc([N+](=O)[O-])cn1 1424777 PILQMKCWFIOUDZ-MRVPVSSYSA-N 304.262 1.720 5 50 DDBA O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1CCN2CCCC[C@@H]12 229701669 UDZKGOLTPJIMJU-KGLIPLIRSA-N 318.377 1.750 5 50 DDBA COC(=O)c1cc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc([N+](=O)[O-])c1 12417924 XSQWJUBJSXANTN-AOOOYVTPSA-N 322.317 1.631 5 50 DDBA CCN(c1ncc([N+](=O)[O-])c(N)n1)[C@@H](C)C(=O)OC(C)(C)C 585098981 ZPPZTHNTVDRVKG-QMMMGPOBSA-N 311.342 1.524 5 50 DDBA Cc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)cc1[N+](=O)[O-] 222492394 MGXPBFSXDVZTQW-NDBYEHHHSA-N 318.285 1.496 5 50 DDBA CCc1csc([C@H](C)NC(=O)Cn2cc([N+](=O)[O-])cn2)n1 585088308 UWRKEQPHIOMICI-QMMMGPOBSA-N 309.351 1.688 5 50 DDBA COC(=O)Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1SCCO 3154958 CNNFBKRIHNUNOZ-UHFFFAOYSA-N 317.279 1.766 5 50 DDBA O=C(O)C[C@@H](NC(=O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 3883412 OJABKAZQBHGKTP-MRVPVSSYSA-N 306.196 1.789 5 50 DDBA Cc1cc(NC(=O)N[C@@H]2CCc3ncnn3C2)ccc1[N+](=O)[O-] 133435563 ADPDDMPREJIJSD-LLVKDONJSA-N 316.321 1.631 5 50 DDBA CN(CC(=O)O)[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)CC1 191998849 QVSOFSCTFDPTCO-AWEZNQCLSA-N 321.377 1.966 5 50 DDBA CC1=NN2C(=NC[C@@]2(O)c2cccc([N+](=O)[O-])c2)SC1=O 4528619 QEBVBXUMINTFNL-GFCCVEGCSA-N 306.303 1.061 5 50 DDBA O=[N+]([O-])c1cccc(S(=O)(=O)NCCOc2ccccc2)c1 4834023 JEBDDCQYDLRGGB-UHFFFAOYSA-N 322.342 1.952 5 50 DDBA CCn1cc(C(=O)NC(=S)Nc2ccccc2[N+](=O)[O-])cn1 4619409 QKTHQIZXAVRZMU-UHFFFAOYSA-N 319.346 1.938 5 50 DDBA Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)CC(=O)N(C)C)c1 170593980 HOXUPXJQWPCDMX-UHFFFAOYSA-N 323.349 1.219 5 50 DDBA Cc1ncc([N+](=O)[O-])n1S(=O)(=O)c1ccc(Cl)cc1 53212 SYNMVBLZDRPEQR-UHFFFAOYSA-N 301.711 1.990 5 50 DDBA COCc1nnc(NC(=O)COc2ccc([N+](=O)[O-])cc2)s1 148472 VLQGTIZDZXPVMH-UHFFFAOYSA-N 324.318 1.610 5 50 DDBA Cn1nc(O)c2c1CN(c1ncc([N+](=O)[O-])cc1Cl)CC2 585132688 MOKPNUDTSLRKTH-UHFFFAOYSA-N 309.713 1.645 5 50 DDBA COC[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 225724382 UKYHMAPHLIBJFD-AAEUAGOBSA-N 324.333 1.284 5 50 DDBA COc1cc([N+](=O)[O-])c2[nH]c(C(=O)O)c(CCNC(C)=O)c2c1 77364 RALJLIILLIROHI-UHFFFAOYSA-N 321.289 1.462 5 50 DDBA biogenic COC[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])[C@H]1CCCO1 225724449 UKYHMAPHLIBJFD-DGCLKSJQSA-N 324.333 1.284 5 50 DDBA NC(=O)[C@H]1CCCN(Cc2cc3c(cc2[N+](=O)[O-])OCO3)C1 16662900 XAENJXKCLRQVLA-VIFPVBQESA-N 307.306 1.021 5 50 DDBA O=C(Nc1ccc([N+](=O)[O-])cc1O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 222367557 BBTPSLCJNDWLJS-QQXRRDQMSA-N 318.285 1.762 5 50 DDBA COc1cc([C@@H]2NC(=O)CC[C@@H]2[N+](=O)[O-])cc(Cl)c1O 85965 RTXKQSOCNPKWMF-KWQFWETISA-N 300.698 1.651 5 50 DDBA O=C(NC1(CO)CC1)c1c[nH]c(-c2cccc([N+](=O)[O-])c2)n1 170598234 UGNJKCUISGUHNE-UHFFFAOYSA-N 302.290 1.240 5 50 DDBA CCOc1ccc([C@H]2NC(=O)NC(C)=C2[N+](=O)[O-])cc1OC 238095 DIUHRZFDPWMVKL-GFCCVEGCSA-N 307.306 1.956 5 50 DDBA O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc([N+](=O)[O-])cn1 3878414 CTPFJQOWURGBPC-UHFFFAOYSA-N 314.213 1.699 5 50 DDBA COc1ccc(CN(C)C(=O)[C@@H]2CCCCN2)cc1[N+](=O)[O-] 225487935 XZJNLDGPDPYHIE-LBPRGKRZSA-N 307.350 1.704 5 50 DDBA COc1cc(C(=O)NCc2ccccn2)c([N+](=O)[O-])cc1OC 183928 GZOWISMQTATWNA-UHFFFAOYSA-N 317.301 1.937 5 50 DDBA Cn1cc([N+](=O)[O-])c(C(=O)Nc2nc3ccccc3n2C)n1 6402181 ZQAAACSTNJETOF-UHFFFAOYSA-N 300.278 1.467 5 50 DDBA COC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 5969336 YMQPMGAYQVDFKC-GFCCVEGCSA-N 321.358 1.869 5 50 DDBA O=C1C[C@H](N2CCCCC2)C(=O)N1c1ccccc1[N+](=O)[O-] 20101827 TYAZAWFSARREND-ZDUSSCGKSA-N 303.318 1.713 5 50 DDBA C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)[C@H](C)S(C)(=O)=O 170617924 QKFKHKQLULSSFQ-ZJUUUORDSA-N 314.363 1.280 5 50 DDBA O=C(Nc1cc(N2CCOCC2)ccc1[N+](=O)[O-])[C@H]1CCCO1 585125788 FVQWEZRLNKWUCU-CQSZACIVSA-N 321.333 1.549 5 50 DDBA O=[N+]([O-])c1nc[nH]c1-c1nnc(Nc2ccc3c(c2)OCO3)o1 12375175 LXHQXAUXZYNQRH-UHFFFAOYSA-N 316.233 1.840 5 50 DDBA O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@H]3C2 239222051 UHCXMHUYYNWACA-BIRIHMBJSA-N 302.286 1.731 5 50 DDBA Cn1nccc1[C@@H]1CCCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 281035867 DWNVYQSVPUDTMB-ZDUSSCGKSA-N 318.337 1.279 5 50 DDBA COCCOCCN1CCN(c2ncc([N+](=O)[O-])cc2C)CC1 585090446 NUVZBFMSWYETIK-UHFFFAOYSA-N 324.381 1.083 5 50 DDBA COc1ccc(C(=O)Nc2ccccc2C(N)=O)cc1[N+](=O)[O-] 441547 QZFFUBQLZAISFP-UHFFFAOYSA-N 315.285 1.955 5 50 DDBA CN(Cc1cnn(C)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 4651765 OHLDWHBQERZSCJ-UHFFFAOYSA-N 310.335 1.149 5 50 DDBA O=[N+]([O-])c1cc([N+](=O)[O-])c(N2CCC[C@@H](O)C2)c([N+](=O)[O-])c1 110155498 SBIIVTDLHCIRQB-MRVPVSSYSA-N 312.238 1.372 5 50 DDBA COC[C@H]1CCOCCN1C(=O)c1ccc([N+](=O)[O-])cc1O 2325874535 PZHGMODFULJSOD-LLVKDONJSA-N 310.306 1.178 5 50 DDBA CCOc1ccccc1/C=C/c1nc(O)[nH]c(=O)c1[N+](=O)[O-] 4854692 PNNZVKGDRXJJHJ-BQYQJAHWSA-N 303.274 1.953 5 50 DDBA CC(C)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 35585742 SXJYMWKCHKEWNX-UHFFFAOYSA-N 313.379 1.310 5 50 DDBA O=[N+]([O-])c1cccc(CN2CCC(N3CCOCC3)CC2)c1 19939193 LQOROOAFJJOXQS-UHFFFAOYSA-N 305.378 1.891 5 50 DDBA CC(=O)N1CCN(Cc2nc3cc([N+](=O)[O-])ccc3n2C)CC1 19858612 BXKZJUCKNGLAOH-UHFFFAOYSA-N 317.349 1.146 5 50 DDBA CCc1nnc(SCc2ccc(OC)c([N+](=O)[O-])c2)n1N 305913 NDUOORHMQKPJCE-UHFFFAOYSA-N 309.351 1.763 5 50 DDBA O=C(O)C[C@@H](NC(=O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 3169134 UVKVNSCEPDKRMP-MRVPVSSYSA-N 306.196 1.789 5 50 DDBA CN1C=CC(C(=O)NCCC[N+]2(C)CCCC2)=C/C1=C\N=O 208027103 RUWCDRRZEWZMMR-FYWRMAATSA-O 305.402 1.726 5 50 DDBA Cc1cc(C)nc(N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)n1 19932746 YWTMOPNEASXLNW-UHFFFAOYSA-N 314.349 1.723 5 50 DDBA COc1cc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])ccc1O 4725718 SYBADKLGVUVOEI-DUXPYHPUSA-N 305.246 1.268 5 50 DDBA Cc1ccc(S(=O)(=O)n2nc(Cl)cc2[N+](=O)[O-])cc1 584907034 ZRUVFVIRQZLKEI-UHFFFAOYSA-N 301.711 1.990 5 50 DDBA COC[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@H](C)O1 275978434 LWWKKOXIZOCKBJ-ZANVPECISA-N 310.306 1.176 5 50 DDBA C[C@@H](NC(=O)N(C)Cc1nnc[nH]1)c1cccc([N+](=O)[O-])c1 225854032 VMKHDGUIGMEGSH-SECBINFHSA-N 304.310 1.616 5 50 DDBA O=C1NC(=O)C2(COC(c3cccc([N+](=O)[O-])c3)OC2)S1 990032 UXILJLKYQVUAKZ-UHFFFAOYSA-N 310.287 1.362 5 50 DDBA C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@H](C)O1 2898494 FRPPZYHJVXVLNL-IUCAKERBSA-N 309.278 1.752 5 50 DDBA O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2ccccn2)CC1 4725368 ADMURULNEKRRIB-UHFFFAOYSA-N 312.329 1.952 5 50 DDBA O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1CCOC2(CCCCC2)C1 160423265 YZSDOEAKQXHMBA-GFCCVEGCSA-N 322.365 1.789 5 50 DDBA CC[C@@H](Nc1c([N+](=O)[O-])cc(CO)c(C)c1[N+](=O)[O-])[C@@H](C)O 958659419 GWZPKSACAXIJKR-PSASIEDQSA-N 313.310 1.875 5 50 DDBA CN(C)c1c[nH]ccc1=NC(=O)c1cc([N+](=O)[O-])ccc1N 408514372 KXDNMZNYCIXXAO-UHFFFAOYSA-N 301.306 1.312 5 50 DDBA C[C@H]1[C@@H]2CCCN2CCN1Cc1cc2c(cc1[N+](=O)[O-])OCO2 16677799 VHQDOWQSZHIKJL-AAEUAGOBSA-N 319.361 1.992 5 50 DDBA CCOC(=O)[C@H](NC(=O)CC)[C@@H](O)c1cccc([N+](=O)[O-])c1 2907550 NOSQYOWEBITMLS-OLZOCXBDSA-N 310.306 1.086 5 50 DDBA COc1ccc(CONc2ncnc3nonc23)cc1[N+](=O)[O-] 13115080 HUMKUXBAFMLQRG-UHFFFAOYSA-N 318.249 1.473 5 50 DDBA CCn1ccc([C@H](C)NC(=O)CCn2ncc([N+](=O)[O-])c2C)n1 2802777 LKPMADHRULNWQE-JTQLQIEISA-N 320.353 1.584 5 50 DDBA COC(=O)c1ccc([N+](=O)[O-])c(NCCc2nnc(C)s2)n1 291152223 PBXKDKRWXCBFJY-UHFFFAOYSA-N 323.334 1.591 5 50 DDBA Cn1cc(N2CCN(c3ccc(N)cc3[N+](=O)[O-])CC2)cn1 225821712 TUNFZEWRWLKTEO-UHFFFAOYSA-N 302.338 1.237 5 50 DDBA O=[N+]([O-])c1ccc(N2[C@H]3C[C@H]4[C@H]([C@@H]3O)[C@@H]3C[C@H]4[C@H](O)[C@H]32)c(F)c1 585092106 FOVTYJNHGDDBOC-XSVLNXSCSA-N 320.320 1.299 5 50 DDBA O=C(NN1CCOCC1)c1cc2cc([N+](=O)[O-])ccc2s1 1392848 IKNIIUAOVIRWNO-UHFFFAOYSA-N 307.331 1.787 5 50 DDBA O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1O 245232062 OWIRASZRJZHFER-GYBADROVSA-N 300.270 1.612 5 50 DDBA O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[C@H]1Cn1cnc2ccccc21 239654227 BMYRNXSILSAQLG-YWPYICTPSA-N 314.345 1.693 5 50 DDBA COc1ccc(S(=O)(=O)n2nc(C)cc2C)cc1[N+](=O)[O-] 4278838 JRCOYQJEPLLXAX-UHFFFAOYSA-N 311.319 1.654 5 50 DDBA Cc1cc(NCCS(=O)(=O)NC(C)C)ccc1[N+](=O)[O-] 181004570 HZURTEDYNOBXPU-UHFFFAOYSA-N 301.368 1.643 5 50 DDBA COC(=O)c1cnc(N2C[C@H](C3CC3)O[C@H](C)C2)c([N+](=O)[O-])c1 280536718 RYZDKNOXKWLARX-NOZJJQNGSA-N 321.333 1.780 5 50 DDBA CN1C(=N)S/C(=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)C1=O 5023006 YZIGVVQKLJAXON-WOKSJZRBSA-N 304.287 1.398 5 50 DDBA O=C(CCCn1cnc([N+](=O)[O-])n1)Nc1ccc(F)cc1F 215138 FISCYDFQXDAOTP-UHFFFAOYSA-N 311.248 1.883 5 50 DDBA CS(=O)(=O)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 4499102 XHLVCNKHMYDQAN-UHFFFAOYSA-N 319.770 1.330 5 50 DDBA N[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 170623431 VEVLOBGVPLTVOK-AWEZNQCLSA-N 321.358 1.573 5 50 DDBA O=C1NCCCN1C1CCN(c2ncc([N+](=O)[O-])s2)CC1 192504350 IUINDEFPHJZDQO-UHFFFAOYSA-N 311.367 1.435 5 50 DDBA CC(=O)NC1=NN(C(C)=O)[C@@](C)(c2cccc([N+](=O)[O-])c2)S1 367836 GHQRRKYPOBOPQB-CYBMUJFWSA-N 322.346 1.770 5 50 DDBA COc1ccc(S(=O)(=O)NCc2ccco2)cc1[N+](=O)[O-] 4318273 IGGWRLZBDBLXCZ-UHFFFAOYSA-N 312.303 1.675 5 50 DDBA CCCNc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(C)=O 864088104 YNCSFBKJSHLOEB-UHFFFAOYSA-N 301.324 1.242 5 50 DDBA O=C(O)[C@@H]1CC(=O)N(c2nc3ccc([N+](=O)[O-])cc3s2)C1 585122777 FPSYJTNBAAYHJT-ZCFIWIBFSA-N 307.287 1.642 5 50 DDBA CNC(=O)[C@@H](O)CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 225435598 QDWOYAIFZILYMZ-LBPRGKRZSA-N 316.317 1.176 5 50 DDBA COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H](O)C1 4180804 AXOFBEPBTPWBAJ-JTQLQIEISA-N 323.349 1.266 5 50 DDBA C[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 4155540 HOTHFYFSLVLRHY-BLTAXRJOSA-N 300.270 1.428 5 50 DDBA CN1C(N)=NC(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 19798878 AEBPGXDZTILDAV-WQLSENKSSA-N 312.285 1.982 5 50 DDBA COCc1nnc(NC(=O)Cc2ccccc2[N+](=O)[O-])s1 474384 UUJZLZFZCZKKJJ-UHFFFAOYSA-N 308.319 1.774 5 50 DDBA O=[N+]([O-])c1ccc(-c2nnc(NCCN3CCOCC3)o2)cc1 888098563 KREWNIHPFHTJCT-UHFFFAOYSA-N 319.321 1.389 5 50 DDBA Cc1ccc(S(=O)(=O)N(C)c2cnccn2)cc1[N+](=O)[O-] 170619596 RMXWBENEEAYRCD-UHFFFAOYSA-N 308.319 1.518 5 50 DDBA CCn1ccc([C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 6637437 OPDDLOPPNHDZSK-SNVBAGLBSA-N 324.362 1.851 5 50 DDBA C[C@H](C(=O)NCc1nnnn1C1CC1)c1cccc([N+](=O)[O-])c1 617739581 LKWQBQKQBCVPLJ-VIFPVBQESA-N 316.321 1.336 5 50 DDBA COc1cc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])ccc1C 13943437 LTLQRQHFHZSCEN-AATRIKPKSA-N 303.274 1.871 5 50 DDBA CC[C@@H](C)N(C)CCNC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] 269475176 VADLOVBIBFEREC-SNVBAGLBSA-N 311.386 1.901 5 50 DDBA NS(=O)(=O)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1 5093257 VDTCVEJBFWCPMG-UHFFFAOYSA-N 321.314 1.495 5 50 DDBA CC1=NN2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])N=C2SC1=O 4528668 KTEYIFNIXHECIJ-RMKNXTFCSA-N 316.298 1.783 5 50 DDBA CO[C@H](CO)CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 1875319941 ZHFMGRGGYJDPTM-JTQLQIEISA-N 310.331 1.547 5 50 DDBA COC(=O)c1cc(C(=O)N[C@@H]2CCSC2=O)cc([N+](=O)[O-])c1 226583 MNEWINCQCNCJLD-SNVBAGLBSA-N 324.314 1.143 5 50 DDBA CC(=O)N1N=C(C(F)(F)F)C[C@]1(O)c1ccc([N+](=O)[O-])cc1 440358 PCHAIJWXQSOEDZ-NSHDSACASA-N 317.223 1.910 5 50 DDBA NCCCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 44075728 CSIMUTTYUDLNNI-UHFFFAOYSA-N 301.368 1.392 5 50 DDBA C[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 4359375 YPFUMAKGRZTFRY-BLTAXRJOSA-N 300.270 1.428 5 50 DDBA C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC[S@@]1=O 242346970 ZKRWVMFFVQCFOQ-FPVGNUTFSA-N 312.347 1.284 5 50 DDBA Nn1ccc2nc3ccn(Cc4ccco4)c(=O)c3cc2c1=O 40398633 GJCMJZSMZSIHBD-UHFFFAOYSA-N 308.297 1.067 5 50 DDBA C[C@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(N)=O 124345809 RZPKMQJJAGWXBK-YFKPBYRVSA-N 305.212 1.217 5 50 DDBA CN1C=C(C(=O)NCC[N+]2(C)CCCCC2)C=C/C1=C\N=O 135772805 BSJNNZPAMBTIOM-NTCAYCPXSA-O 305.402 1.726 5 50 DDBA O=C(N1CCN(c2ccc([N+](=O)[O-])cn2)CC1)C(F)(F)Cl 170600965 BJBCBIGDNNMZOE-UHFFFAOYSA-N 320.683 1.470 5 50 DDBA Cc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@H](CN(C)C)C1 194720709 IFWPJIBDUUVRFA-GFCCVEGCSA-N 307.350 1.306 5 50 DDBA O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCc2nc[nH]c2C1 590379350 QFTULXOULVBLEA-UHFFFAOYSA-N 311.301 1.998 5 50 DDBA O=C(NC(=S)NC[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 459199 GGZJKPRSUJGBQG-NSHDSACASA-N 309.347 1.378 5 50 DDBA CN1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)CC1 54284385 BMPVIAZJAHFPOB-UHFFFAOYSA-N 317.301 1.089 5 50 DDBA CC1(C)[C@H](NC(=O)c2cccc([N+](=O)[O-])c2O)[C@H]2CCO[C@H]21 230181592 QDUMGXPHOAWVIU-OASPWFOLSA-N 306.318 1.844 5 50 DDBA CNc1nccc(C(=O)N[C@H]2CCOC(C)(C)C2)c1[N+](=O)[O-] 408517741 NKEJELDQVVVIFB-VIFPVBQESA-N 308.338 1.719 5 50 DDBA O=C(c1ccc(O)c([N+](=O)[O-])c1)N(C[C@H]1CCOC1)C1CC1 164379840 JJKVKJPNLZLXOS-SNVBAGLBSA-N 306.318 1.942 5 50 DDBA Cc1nc([N+](=O)[O-])c(SC[C@@H](O)CN2CCCCC2)[nH]1 5687096 YGVSKPOGKRSMQT-JTQLQIEISA-N 300.384 1.565 5 50 DDBA CC(C)C[C@@H](CN)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 109705632 VMFWEIUOGRQDJY-JTQLQIEISA-N 301.368 1.247 5 50 DDBA CC(C)[C@@](C)(CN)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 155965964 RWQIAHLJICULPZ-GFCCVEGCSA-N 301.368 1.247 5 50 DDBA O=C1CCc2cc([N+](=O)[O-])c(N3C[C@@H]4CC[C@H](C3)O4)cc2N1 374092337 NNUUIDIDBJZPFB-PHIMTYICSA-N 303.318 1.847 5 50 DDBA COCCOCCNC(=O)c1cc([N+](=O)[O-])c(F)cc1C 313744965 GSRNGDFKNJHOBC-UHFFFAOYSA-N 300.286 1.435 5 50 DDBA O=C(N[C@@H]1CCC[C@H]2OCC[C@@H]12)c1ccc(O)c([N+](=O)[O-])c1 230185817 BFAFRBGGKUSJTI-MISXGVKJSA-N 306.318 1.988 5 50 DDBA COc1cc(/C=C/C(=O)N2CCOCC2)c([N+](=O)[O-])cc1OC 164034 CDZKSZGLNIFIGM-ONEGZZNKSA-N 322.317 1.484 5 50 DDBA O=C(NC[C@@H]1CCCN1c1cccnn1)c1ccc([N+](=O)[O-])o1 253426449 IETNAMCTMYRUOE-JTQLQIEISA-N 317.305 1.377 5 50 DDBA CNC(=O)[C@@H]1CCC[C@H]1Nc1c(C(=O)OC)cccc1[N+](=O)[O-] 585093039 ZIUMJSIEZPDDHZ-MWLCHTKSSA-N 321.333 1.708 5 50 DDBA CC(C)(C)N1OC[C@@H]2CO[C@](O)(c3ccc([N+](=O)[O-])cc3)[C@H]21 5284024 SMEISUOGAMZPQO-VZJVUDMVSA-N 308.334 1.801 5 50 DDBA CNS(=O)(=O)c1ccc(N(C)[C@@H]2CC2(C)C)c([N+](=O)[O-])c1 170615822 NYBRSECNHUNDBF-GFCCVEGCSA-N 313.379 1.738 5 50 DDBA Cc1c(-c2cc(Cn3nc([N+](=O)[O-])cc3C)on2)cnn1C 193870218 IRLZNNFKYBATMN-UHFFFAOYSA-N 302.294 1.845 5 50 DDBA O=C(CCCn1cnc([N+](=O)[O-])n1)Nc1ccc2c(c1)OCO2 215153 OVYYJCMAFTXXCX-UHFFFAOYSA-N 319.277 1.334 5 50 DDBA Cc1cc(OCCCON2C(=O)CCC2=O)ccc1[N+](=O)[O-] 2868521 BPSNRLOACBJRPX-UHFFFAOYSA-N 308.290 1.753 5 50 DDBA Cc1cc([N+](=O)[O-])cnc1N1CCN(CC(C)(C)O)[C@H](C)C1 275620295 UVNCHMKWOLFAIS-GFCCVEGCSA-N 308.382 1.580 5 50 DDBA CCOC(=O)[C@H](NC(=O)CC)[C@H](O)c1cccc([N+](=O)[O-])c1 2907548 NOSQYOWEBITMLS-CHWSQXEVSA-N 310.306 1.086 5 50 DDBA O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=C2Nc1cccnc1 4046592 MDGHLSROBTZKJH-UHFFFAOYSA-N 304.287 1.551 5 50 DDBA O=C(NCc1ccccn1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3110163 IKODXZJIIMIXFO-UHFFFAOYSA-N 302.246 1.828 5 50 DDBA biogenic Cc1nn(C)c(C)c1CNC(=O)COc1ccc([N+](=O)[O-])cc1 17054536 QJPQVNWCIYCMER-UHFFFAOYSA-N 318.333 1.640 5 50 DDBA Cn1c(C(=O)N[C@H]2CCO[C@]3(CCOC3)C2)ccc1[N+](=O)[O-] 408086399 IRQNNBKZMLYFFZ-IINYFYTJSA-N 309.322 1.001 5 50 DDBA O=C(Cn1nnc(-c2ccccc2)n1)Nc1cccc([N+](=O)[O-])c1 2810985 VBMNVPVGFQDNQF-UHFFFAOYSA-N 324.300 1.887 5 50 DDBA O=C(c1cccnc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4045853 NEJYMXIRIJWMMG-UHFFFAOYSA-N 312.329 1.952 5 50 DDBA CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 4950958 PPBNQKLDXXHPMH-GFCCVEGCSA-N 305.290 1.786 5 50 DDBA biogenic C[C@H]1Cc2cc(/C=C/c3nc(O)[nH]c(=O)c3[N+](=O)[O-])ccc2O1 4977984 WTHARTCCCKAVQE-KHVHVRLGSA-N 315.285 1.878 5 50 DDBA COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 36226566 IGEFVDJQFCQCST-GFCCVEGCSA-N 321.289 1.444 5 50 DDBA O=[N+]([O-])c1ccccc1S(=O)(=O)NCCCn1ccnc1 6456291 CZCYZTJPKYLICR-UHFFFAOYSA-N 310.335 1.160 5 50 DDBA Cc1ccc(NC(=O)NC(=O)Cn2nccc2[N+](=O)[O-])c(C)c1 341228320 RCPHMWAOKWRFFX-UHFFFAOYSA-N 317.305 1.756 5 50 DDBA COCC1(NC(=O)COc2ccc([N+](=O)[O-])cc2)CCOCC1 241775963 RQROLGBNQYYVJF-UHFFFAOYSA-N 324.333 1.285 5 50 DDBA CN(C)CC1(O)CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 952884917 RZKZPFOBCWAZSQ-UHFFFAOYSA-N 322.365 1.515 5 50 DDBA CC(=O)N1N=C2C3CCN(CC3)[C@@H]2[C@@H]1c1cccc([N+](=O)[O-])c1 19732236 QMRWUEGSQCBNKA-HOTGVXAUSA-N 314.345 1.948 5 50 DDBA O=C([C@@H]1CCCN1C1CC1)N1CCc2ncc([N+](=O)[O-])cc2C1 225627616 UZWGFQVZQATSBH-HNNXBMFYSA-N 316.361 1.501 5 50 DDBA Cc1cc(N2CCC[C@H](Cc3nn[nH]n3)C2)ncc1[N+](=O)[O-] 1775984958 DUIJUFHSVOOWJM-SNVBAGLBSA-N 303.326 1.270 5 50 DDBA Cc1c(NC(=O)N[C@@H]2C(=O)NCC2(C)C)cccc1[N+](=O)[O-] 585120110 ROSRBWXZFGCZOO-LLVKDONJSA-N 306.322 1.549 5 50 DDBA COc1cc([C@@H]2NC(=O)CC[C@@H]2[N+](=O)[O-])cc(OC)c1OC 36484 FAEBZOJHRLNECM-ZANVPECISA-N 310.306 1.309 5 50 DDBA COC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccc([N+](=O)[O-])cc1 71137 MVYFIINDUQMKTL-GFCCVEGCSA-N 321.358 1.903 5 50 DDBA O=C(NC(=S)NCc1ccco1)c1cccc([N+](=O)[O-])c1 1151934 VOWWWPWPRMJCJL-UHFFFAOYSA-N 305.315 1.992 5 50 DDBA CCN(CC)CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 2058267 MUAUOTKVAMHSOQ-UHFFFAOYSA-N 315.395 1.605 5 50 DDBA C[C@H](SCc1ccc([N+](=O)[O-])cc1)C(=O)N1CCNC1=O 131344389 KQLWUUNBPHJQQM-VIFPVBQESA-N 309.347 1.768 5 50 DDBA CCOC(=O)c1ccnc(NCCc2ccnnc2)c1[N+](=O)[O-] 1775999571 ORJYJFIEQRCYKQ-UHFFFAOYSA-N 317.305 1.611 5 50 DDBA O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)NC[C@H]2C[C@H]3C=C[C@H]2C3)cc1 230145987 IEVSXMDYTCGQRG-CNUSHZMNSA-N 318.373 1.791 5 50 DDBA Cc1cc(OCCCNCCN2CCOCC2)ccc1[N+](=O)[O-] 4832514 CQWCCJZKBIUEJL-UHFFFAOYSA-N 323.393 1.594 5 50 DDBA COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2C=C[C@H]1C2 586106231 GLDOTORJFUYNCT-UWVGGRQHSA-N 310.331 1.552 5 50 DDBA COc1ccc(/C=C/c2c([N+](=O)[O-])c(=O)n(C)c(=O)n2C)cc1 4580244 DORJPRXOQFWKQJ-RMKNXTFCSA-N 317.301 1.171 5 50 DDBA Cc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cn2)s1 4182306 BIOKEXCVPXCOLK-UHFFFAOYSA-N 311.348 1.881 5 50 DDBA O=C(NCCN1CCOCC1)c1cc([N+](=O)[O-])ccc1Cl 19233357 AQPFXWDONFUCFG-UHFFFAOYSA-N 313.741 1.310 5 50 DDBA N[C@@H]1CCC[C@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 420463402 IQWYDYIUWWZIIC-WDEREUQCSA-N 313.379 1.391 5 50 DDBA CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCC(=O)N1 952847802 MHZSFQXESCHLJC-SNVBAGLBSA-N 307.306 1.601 5 50 DDBA CCN(C)[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 170616426 YTJXBCJCXCQWBF-GFCCVEGCSA-N 313.379 1.310 5 50 DDBA COc1cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])cc1OC 209671 DWSSNYADLJAVDO-UWVGGRQHSA-N 324.333 1.861 5 50 DDBA Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H](Cn1cccn1)C(C)(C)C 2782606 NHCGWUDGAANIOI-NSHDSACASA-N 320.353 1.370 5 50 DDBA O=[N+]([O-])c1ccc(NC(=S)NCCCN2CCOCC2)cc1 19831750 LGHYCNKKTCVWJT-UHFFFAOYSA-N 324.406 1.604 5 50 DDBA COc1cccc(N2CCC(N3CCNC3=O)CC2)c1[N+](=O)[O-] 185213781 XDLBUBVBQAEDMZ-UHFFFAOYSA-N 320.349 1.597 5 50 DDBA C[C@@H](CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCOCC1 19868879 HINAWLPGHRVDCQ-NSHDSACASA-N 314.363 1.089 5 50 DDBA COc1cc([C@@H]2NC(=O)CC[C@H]2[N+](=O)[O-])cc(OC)c1OC 36486 FAEBZOJHRLNECM-RNCFNFMXSA-N 310.306 1.309 5 50 DDBA NS(=O)(=O)C[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1 585133642 OPYDIVIRLPGVMB-ZDUSSCGKSA-N 313.379 1.238 5 50 DDBA CCC1(CNS(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)CC1 233077133 ZTVMEINVISJAEX-UHFFFAOYSA-N 300.336 1.769 5 50 DDBA O=[N+]([O-])c1ccc(S(=O)(=O)n2nnc3ccccc32)cc1 369314 CQEBAFULZBZGMU-UHFFFAOYSA-N 304.287 1.577 5 50 DDBA CC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1N 251785064 NGOBRWARCISHHZ-GXFFZTMASA-N 313.379 1.343 5 50 DDBA COC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccccc1[N+](=O)[O-] 71016 JBIYEDHAISFPCC-LLVKDONJSA-N 316.277 1.043 5 50 DDBA COC(=O)C(C(=O)OC)[C@H](C[N+](=O)[O-])c1ccc(OC)cc1 1762514 SODLTWNUTJKLEG-LLVKDONJSA-N 311.290 1.018 5 50 DDBA C[C@H]1c2ccc(Cl)n2CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 328593399 PKZBWLVWICSCJT-VIFPVBQESA-N 323.740 1.850 5 50 DDBA CN(C)CC(=O)Nc1ccc(Br)cc1[N+](=O)[O-] 5064331 SIVTWTFVFVUXCW-UHFFFAOYSA-N 302.128 1.857 5 50 DDBA C[C@@H](N)C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 110647996 ZHBPRMILMBWXSN-SNVBAGLBSA-N 313.379 1.343 5 50 DDBA C[C@H]1COCCN1C1CCN(c2ncccc2[N+](=O)[O-])CC1 585092295 NYQIZHZEEMRKSH-LBPRGKRZSA-N 306.366 1.679 5 50 DDBA NCC(=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2325841138 FJOJNFGXBSVDOK-UHFFFAOYSA-N 300.270 1.955 5 50 DDBA O=C(O)CCN1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O 4258322 QKIPXSPXLPYYIO-UHFFFAOYSA-N 314.253 1.819 5 50 DDBA O=[N+]([O-])c1cnc(N2CCOC[C@@H]2Cc2ccccc2)nc1 354593953 KWGXUTIPIDCMHY-ZDUSSCGKSA-N 300.318 1.833 5 50 DDBA O=C(NCc1ccco1)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 376139 RGQZTWKZPUNLEG-UHFFFAOYSA-N 316.273 1.956 5 50 DDBA COc1cc(/C=C/C(=O)OCC[N+](C)(C)C)c(OC)cc1O 95933318 RTKRVOHOLOYYHW-UHFFFAOYSA-O 310.370 1.672 5 50 DDBA biogenic Cc1ncc([N+](=O)[O-])n1CCN1C(=O)c2ccccc2C1=O 1431622 JIYZWSLKPBBNTE-UHFFFAOYSA-N 300.274 1.396 5 50 DDBA CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC(CC(N)=O)C1 358130143 SRJNAHKPUDJTJQ-UHFFFAOYSA-N 323.374 1.654 5 50 DDBA Cn1ncc([N+](=O)[O-])c1C(=O)Nc1nc2ccccc2n1C 6402132 JVXWCZJHNHGJLJ-UHFFFAOYSA-N 300.278 1.467 5 50 DDBA CCOC(=O)[C@@H]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)C1 124035636 DEVPDKTVCAKDDQ-MNOVXSKESA-N 321.333 1.760 5 50 DDBA COC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H]2C[C@H]2[C@@H]1C(=O)O 242575041 NPNZWNCDQBAUAE-LPBBDHJYSA-N 306.274 1.291 5 50 DDBA C[C@H]1CN(C(=S)NC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 13153977 PGLWMWSPUUOAMJ-AOOOYVTPSA-N 323.374 1.719 5 50 DDBA C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 13590426 XVENDFRFPBJYCR-AOOOYVTPSA-N 300.336 1.393 5 50 DDBA COc1cccc(NNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 4582449 LQUAJMPAWIVNJS-UHFFFAOYSA-N 323.330 1.909 5 50 DDBA COc1n[nH]c(C(=O)Nc2cccc(C(=O)O)c2)c1[N+](=O)[O-] 6160489 VFTHHHNXEHVOMX-UHFFFAOYSA-N 306.234 1.277 5 50 DDBA CCCc1[nH]nc(C(=O)N[C@H](C)c2nccn2CC)c1[N+](=O)[O-] 456385652 MECXDJJJOMNBBL-SECBINFHSA-N 320.353 1.978 5 50 DDBA CNS(=O)(=O)c1ccc(Sc2ncco2)c([N+](=O)[O-])c1 408514850 KBNCDIAOEHSASJ-UHFFFAOYSA-N 315.332 1.642 5 50 DDBA O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)[C@H]1C[C@H]1[N+](=O)[O-] 242183859 XCMJLJXOHPFWMK-AXFHLTTASA-N 319.144 1.808 5 50 DDBA COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccccc1[N+](=O)[O-] 124143 VWXWMPLAPFBWIL-LBPRGKRZSA-N 305.290 1.738 5 50 DDBA COC[C@]1(O)CCCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 1775994043 QRLFKHUTDSIFMW-HNNXBMFYSA-N 308.334 1.598 5 50 DDBA CN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)C1 221882456 DNNGPTGDVPUIIW-FZMZJTMJSA-N 319.361 1.857 5 50 DDBA Cc1[nH]cnc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 5081151 VHCOUMZVASWIQQ-UHFFFAOYSA-N 301.350 1.949 5 50 DDBA O=C(O)CC[C@H](Nc1sc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O 17059485 OGBMJLZFOXXKAR-BYPYZUCNSA-N 319.251 1.294 5 50 DDBA CC1=NCCN1S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 19720691 CKZRFIMAPWUENX-UHFFFAOYSA-N 303.727 1.671 5 50 DDBA CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)c1noc(C)n1 170605115 FLUURIKHULWEJO-NSHDSACASA-N 305.294 1.750 5 50 DDBA C[C@@H]1CCN(C(=O)COC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])[C@H]2CCCC[C@@H]21 170652698 CUHULBFRFMWBLB-POQQGIQPSA-N 324.377 1.622 5 50 DDBA O=[N+]([O-])c1ccc2c(c1)OCCOCCOCCOCCO2 3895786 XIWRBQVYCZCEPG-UHFFFAOYSA-N 313.306 1.416 5 50 DDBA in-vitro C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2N)C[C@H](C)O1 3878345 VOVQZRKSCHGYNT-YUMQZZPRSA-N 324.293 1.335 5 50 DDBA O=C(NCCn1cc([N+](=O)[O-])cn1)NCc1cccc(F)c1 133193079 ZITBJPMIGBHOHO-UHFFFAOYSA-N 307.285 1.430 5 50 DDBA Cc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1 9494430 HSAFJZYWVKCHEG-UHFFFAOYSA-N 320.330 1.717 5 50 DDBA Cc1ccc(NC(=O)CN(C)C(=O)c2n[nH]cc2[N+](=O)[O-])cc1 159690916 LESSVXPSHQEJCS-UHFFFAOYSA-N 317.305 1.337 5 50 DDBA NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1 88267596 HNQRHNYBVWICKB-UHFFFAOYSA-N 315.351 1.081 5 50 DDBA CCOC(=O)c1ccnc(N2CC[C@@]3(CCO3)C2)c1[N+](=O)[O-] 1775991698 TVMFJOVAZODTQC-CQSZACIVSA-N 307.306 1.536 5 50 DDBA Cc1nc(N[C@H]2CNc3c(c(C)nn3C)C2)ccc1[N+](=O)[O-] 952992903 AFNHUHWYRQCGFO-SNVBAGLBSA-N 302.338 1.789 5 50 DDBA CS(=O)(=O)N[C@@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1 170596351 DKAGDRRHRCEKRG-QWHCGFSZSA-N 313.379 1.867 5 50 DDBA CC1=NN[C@]2(C)Nc3ncnn3[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]12 12857321 KNJBPUYAXUVFLK-BZPMIXESSA-N 313.321 1.513 5 50 DDBA NC(=O)c1ccc(CN2CCO[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 230126985 UVJJWFVDQPOOHX-UKRRQHHQSA-N 319.361 1.837 5 50 DDBA Cn1cc2c(n1)CCC[C@@H]2C(=O)Nc1c([N+](=O)[O-])cnn1C 241588357 PCISXWMUOYSULY-QMMMGPOBSA-N 304.310 1.120 5 50 DDBA O=C1c2ccccc2S(=O)(=O)N1Cc1ccccc1[N+](=O)[O-] 5014290 XWSUHQUMSNMYFA-UHFFFAOYSA-N 318.310 1.940 5 50 DDBA COC[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@H](C)O1 275978429 LWWKKOXIZOCKBJ-TVQRCGJNSA-N 310.306 1.176 5 50 DDBA Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1COc2ccccc2C1 170597794 OJZOTMPIDKMCEF-NSHDSACASA-N 313.313 1.911 5 50 DDBA Cc1cc([N+](=O)[O-])c(C)cc1NS(=O)(=O)c1cnn(C)n1 1615571078 FKKBRRAOFLZYGO-UHFFFAOYSA-N 311.323 1.141 5 50 DDBA O=C(NCCCN1CCCC1=O)Nc1ccc([N+](=O)[O-])cc1 4134256 QPWQKNSSGGWCDA-UHFFFAOYSA-N 306.322 1.729 5 50 DDBA Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 5590631 QCJYVHOWYPTHIZ-UHFFFAOYSA-N 323.286 1.918 5 50 DDBA COc1ccc(/C=C/C(=O)O)cc1Cn1cc([N+](=O)[O-])cn1 6406578 XGUBWDYKUHBGMM-HWKANZROSA-N 303.274 1.946 5 50 DDBA in-vitro COC(=O)c1ccccc1NC(=O)Cn1ccc([N+](=O)[O-])n1 1069104 QLKGESWLEQCVSR-UHFFFAOYSA-N 304.262 1.217 5 50 DDBA O=C(NC(=S)NC[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 2899011 GGZJKPRSUJGBQG-LLVKDONJSA-N 309.347 1.378 5 50 DDBA CCOC(=O)C1=C(O)C(=O)N(C)[C@H]1c1ccc([N+](=O)[O-])cc1 6499486 FRNMWDNGNPNYES-NSHDSACASA-N 306.274 1.483 5 50 DDBA CN1C(=O)[C@@](O)(CC(=O)c2ccco2)c2cc([N+](=O)[O-])ccc21 5065420 YDCIXZCWTQIGPM-OAHLLOKOSA-N 316.269 1.625 5 50 DDBA COC(=O)c1ccccc1NC(=O)Cn1c([N+](=O)[O-])cnc1C 613079 SVKXCDOMLGZLGB-UHFFFAOYSA-N 318.289 1.525 5 50 DDBA C[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 4387300 RNQWCRYRLQLXCZ-UWVGGRQHSA-N 300.336 1.393 5 50 DDBA O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccccc1 73032732 YWGDTDSOHPHFAQ-OAHLLOKOSA-N 300.314 1.987 5 50 DDBA CC(C)(C)OC(=O)[C@@H]1COCCN1c1ncccc1[N+](=O)[O-] 585092751 MJTRZGWTCJDMRH-NSHDSACASA-N 309.322 1.537 5 50 DDBA Cc1nc(NCCNC(=O)c2ccccc2N)ccc1[N+](=O)[O-] 225751624 XWFJTQMPRYTJHS-UHFFFAOYSA-N 315.333 1.722 5 50 DDBA CN1CCN(CCC(C)(C)Nc2ncc([N+](=O)[O-])s2)CC1 192535617 GQAQFQHPZRSWEM-UHFFFAOYSA-N 313.427 1.879 5 50 DDBA O=[N+]([O-])c1ccc(S(=O)(=O)NCC[C@@H]2CCCNC2)cc1 110792635 GHNSRTFXRVJIEA-NSHDSACASA-N 313.379 1.263 5 50 DDBA C[C@@H](C(=O)NCCN1CCOCC1)c1ccc([N+](=O)[O-])cc1 20272623 RCIHSUJVBOIIDR-GFCCVEGCSA-N 307.350 1.147 5 50 DDBA Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CCCCC2)C1 323185156 AXUAVHNOPDCALK-LLVKDONJSA-N 319.365 1.272 5 50 DDBA C=CC(=O)N(C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 1351486228 AFGUFWUMRWAKGS-UHFFFAOYSA-N 303.318 1.124 5 50 DDBA O=C(NC(=S)NC[C@H]1CCCO1)c1ccccc1[N+](=O)[O-] 587244 RZGKXZZYSXABRY-SECBINFHSA-N 309.347 1.378 5 50 DDBA CCN(CC)CCN/C=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21 22147005 GAZGVCZYLVUBEE-RAXLEYEMSA-N 304.350 1.819 5 50 DDBA CC(C)(C)OC(=O)CN(CC1CC1)c1ncc([N+](=O)[O-])cn1 585090513 YWCLMNWZUITLQU-UHFFFAOYSA-N 308.338 1.943 5 50 DDBA COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cccc([N+](=O)[O-])c1 65636 KLYPXVWAKFQJOO-NSHDSACASA-N 316.277 1.043 5 50 DDBA CN(C)S(=O)(=O)c1ccc2c(c1)c(=O)nc1ccccn12 1427019 VZYBZENEOHUJIO-UHFFFAOYSA-N 303.343 1.098 5 50 DDBA C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cncc(F)c1 361135095 KBTRKXLOZLNOCO-ZANVPECISA-N 309.301 1.037 5 50 DDBA CN(CCN1CCCCC1)c1ncc([N+](=O)[O-])cc1C(N)=O 585090474 RHEGTYGGRVYQRT-UHFFFAOYSA-N 307.354 1.011 5 50 DDBA C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1S(=O)(=O)c1ccnn1C 585129084 XGSAMYPJAGDLKW-SECBINFHSA-N 322.346 1.468 5 50 DDBA CN1C(=O)C[C@@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1=O 192627750 SHWUSXQWRMROKP-SSDOTTSWSA-N 315.232 1.365 5 50 DDBA O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@@H]1Cc1ccccc1 349916755 XTQMRAPVJXUXSS-CYBMUJFWSA-N 300.318 1.635 5 50 DDBA CCCc1[nH]nc(C(=O)NC[C@@H]2CCCCN(C)C2)c1[N+](=O)[O-] 600313105 HSYQTXBGBBZRPR-NSHDSACASA-N 323.397 1.732 5 50 DDBA O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCOCC1 15021138 RZUMLQTYOVVAIF-UHFFFAOYSA-N 315.123 1.830 5 50 DDBA in-vitro CN(CC(N)=O)Cc1ccc(Br)c([N+](=O)[O-])c1 159416934 LPBPDTMYKXSULR-UHFFFAOYSA-N 302.128 1.274 5 50 DDBA Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccn(CC(F)F)n1 170597887 BOAHADAXYWEEEH-UHFFFAOYSA-N 311.248 1.891 5 50 DDBA CC1=NCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl 20110060 JVGFIZNSVBEDGK-UHFFFAOYSA-N 303.727 1.671 5 50 DDBA COC(=O)C1(Cc2cn(CC(C)(C)[N+](=O)[O-])nn2)CCCCC1 1875332789 KLQWZWAFHRMSBY-UHFFFAOYSA-N 324.381 1.999 5 50 DDBA COC[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])[C@H]1CCCO1 225724428 UKYHMAPHLIBJFD-WCQYABFASA-N 324.333 1.284 5 50 DDBA O=[N+]([O-])c1cccc(CN2CCN(C[C@@H](O)C3CC3)CC2)c1 1615583648 HMJXQEHREMPZIZ-MRXNPFEDSA-N 305.378 1.483 5 50 DDBA Cc1cc(C)n(-c2nc(N3CCOCC3)nc(C)c2[N+](=O)[O-])n1 4170768 HSRBLRQEBKXOLC-UHFFFAOYSA-N 318.337 1.332 5 50 DDBA CN1CCN(c2cc(N3CCOCC3)c(F)cc2[N+](=O)[O-])CC1 4818913 OBFUEZYYMJPIQZ-UHFFFAOYSA-N 324.356 1.322 5 50 DDBA Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)n1nnc2ccccc21 49503 OLROBSFSQCHSII-UHFFFAOYSA-N 318.314 1.885 5 50 DDBA COc1ccc(/C=C/C(=O)O)cc1Cn1ccc([N+](=O)[O-])n1 12355467 OTXDSZMWPYUTLD-HWKANZROSA-N 303.274 1.946 5 50 DDBA in-vitro COC(=O)c1cc(C(=O)NCc2cccnc2)cc([N+](=O)[O-])c1 60846 JVNXHHBYMVIQAW-UHFFFAOYSA-N 315.285 1.706 5 50 DDBA CCc1ccc(/C=C/c2c([N+](=O)[O-])c(=O)n(C)c(=O)n2C)cc1 4132122 MLEREFHIVXDOQX-MDZDMXLPSA-N 315.329 1.725 5 50 DDBA O=C([C@H]1CCCO1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4798165 DRQZPISSQSYBPI-CQSZACIVSA-N 305.334 1.422 5 50 DDBA Cc1ccc2sc(NC(=O)Cn3cnc([N+](=O)[O-])n3)nc2c1 4721997 SLRIWGDRQOBIKW-UHFFFAOYSA-N 318.318 1.743 5 50 DDBA CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1O 153592502 QDUMGXPHOAWVIU-BIMULSAOSA-N 306.318 1.844 5 50 DDBA CCN1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)N(C)C1=S 37219723 VJRZJOREYYDZGK-YFHOEESVSA-N 307.331 1.720 5 50 DDBA Cn1cc([N+](=O)[O-])c(C(=O)NC2(C(=O)O)CCCCCC2)n1 241368050 MJRLEHFTJDHSQW-UHFFFAOYSA-N 310.310 1.236 5 50 DDBA CC1=NN2C(=NC[C@]2(O)c2cccc([N+](=O)[O-])c2)SC1=O 4528616 QEBVBXUMINTFNL-LBPRGKRZSA-N 306.303 1.061 5 50 DDBA CC(C)S(=O)(=O)CCC[S@](=O)c1cccc([N+](=O)[O-])c1 585138062 LUGOPVWWLDWXNV-IBGZPJMESA-N 319.404 1.916 5 50 DDBA Cn1nc([N+](=O)[O-])nc1Sc1ncnn1-c1ccccc1 621353 SELXTSLSZAGDRP-UHFFFAOYSA-N 303.307 1.455 5 50 DDBA Cc1nn(C)c(C(=O)NC2CC(C)(C)NC(C)(C)C2)c1[N+](=O)[O-] 2778463 CADNGWVELFFAQP-UHFFFAOYSA-N 323.397 1.676 5 50 DDBA CNC(=O)c1cc(I)cc([N+](=O)[O-])c1 4181851 PXJNCQXBGMWORB-UHFFFAOYSA-N 306.059 1.559 5 50 DDBA Cc1c([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)OCCO3)nn1C 371521 VZSKMEDAAGXDAQ-UHFFFAOYSA-N 318.289 1.660 5 50 DDBA Cc1cc(NC[C@@H](O)CO)c(Br)cc1[N+](=O)[O-] 235779876 RXOMRDJTALGIEA-SSDOTTSWSA-N 305.128 1.431 5 50 DDBA O=[N+]([O-])c1c(NCCO)cc(N2CCCCCC2)c2nonc12 4179517 DETHGGMNEFCYJQ-UHFFFAOYSA-N 321.337 1.916 5 50 DDBA O=C(Cn1cc([N+](=O)[O-])cn1)N1CCCN(CC2CCC2)CC1 408516211 ZFDPHIUJAZZJIG-UHFFFAOYSA-N 321.381 1.126 5 50 DDBA Cc1nc(N2CCOCC2)nc(N2CCCCC2)c1[N+](=O)[O-] 4143240 GMZKKELVJFEXPW-UHFFFAOYSA-N 307.354 1.520 5 50 DDBA CN(C)S(=O)(=O)c1cnn(Cc2ccccc2[N+](=O)[O-])c1 348118333 PBWXKZBJUOXAFL-UHFFFAOYSA-N 310.335 1.090 5 50 DDBA NNS(=O)(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 297651 OPHPHFDWAMEXTM-UHFFFAOYSA-N 309.303 1.539 5 50 DDBA Cn1cnc([N+](=O)[O-])c1NC(=O)CSC[C@@H]1CCCCO1 585124614 JMJDEVDQJSVGEK-VIFPVBQESA-N 314.367 1.569 5 50 DDBA Cc1cc(OCC(=O)NCc2cccnc2)ccc1[N+](=O)[O-] 1056449 IZEMLKIJGSDMHB-UHFFFAOYSA-N 301.302 1.993 5 50 DDBA C[C@@]12C=C[C@@](C)(O1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12 101357353 YTEDFCBCFDCRDW-GVAFMPQTSA-N 314.297 1.818 5 50 DDBA CC1(C)CCC[C@@]1(CO)NC(=O)CCn1cc([N+](=O)[O-])cn1 1875276253 QJXMBWWLMQWVPW-AWEZNQCLSA-N 310.354 1.239 5 50 DDBA COc1ccc(NC(=O)Cn2cnc([N+](=O)[O-])c2C)cc1OC 1775992267 KPYXKCGHJUQSOF-UHFFFAOYSA-N 320.305 1.756 5 50 DDBA CC(C)(C)OC(=O)[C@H]1CCCCN1c1ncc([N+](=O)[O-])c(N)n1 1616038137 VHZWEQLYRYCTST-SECBINFHSA-N 323.353 1.668 5 50 DDBA CC12CN3CC(C)(CN(C1)C3c1ccc([N+](=O)[O-])cc1)C2O 19325431 AVRFLFIDLGILIQ-UHFFFAOYSA-N 303.362 1.612 5 50 DDBA Cn1cc(C[C@@H]2CCC[C@@H]2Nc2ncc([N+](=O)[O-])cn2)cn1 585098817 FJWOETMQLPRHBK-AAEUAGOBSA-N 302.338 1.942 5 50 DDBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1n[nH]cc1[N+](=O)[O-] 12649055 NTHACVHFRPPYEB-UHFFFAOYSA-N 307.222 1.487 5 50 DDBA CC(C)c1ccc(C(=O)N[C@@H]2CCC(=O)NC2)cc1[N+](=O)[O-] 225488798 NJQHOROVEDRGQE-LLVKDONJSA-N 305.334 1.727 5 50 DDBA COCCCNCCOCCOc1ccc(C)cc1[N+](=O)[O-] 3462059 VOVYNYYSTPBOTG-UHFFFAOYSA-N 312.366 1.925 5 50 DDBA Cc1cc(=O)[nH]c(SCC(=O)c2ccc([N+](=O)[O-])cc2)n1 9143522 GOCFWOCTKUKVPQ-UHFFFAOYSA-N 305.315 1.962 5 50 DDBA NCc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 170091481 HPOUSKMZTJUWQH-UHFFFAOYSA-N 307.331 1.854 5 50 DDBA CCn1cc(CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cn1 4651758 KUHGTLPPKRQBMD-UHFFFAOYSA-N 324.362 1.632 5 50 DDBA O=[N+]([O-])c1cc(CN(CCO)CCO)ccc1Br 159420208 GRSZHKSIEFZOKN-UHFFFAOYSA-N 319.155 1.144 5 50 DDBA Cn1ncc([N+](=O)[O-])c1NC(=O)c1ccn(-c2ccccc2)n1 184408354 YJLDUUQQAQMELI-UHFFFAOYSA-N 312.289 1.766 5 50 DDBA Cc1nn(C)cc1CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 14249881 KRAXYOLTZKIRHC-UHFFFAOYSA-N 324.362 1.457 5 50 DDBA O=C(CN1CCN(CCF)CC1)Nc1ccccc1[N+](=O)[O-] 1875273839 VKRGZEHTLLITOC-UHFFFAOYSA-N 310.329 1.120 5 50 DDBA O=C(NC[C@@H]1CCCO1)c1cc2cc([N+](=O)[O-])ccc2oc1=O 110642 IIJNGVJEDUBHGK-NSHDSACASA-N 318.285 1.610 5 50 DDBA O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H]1CO 153928122 NMZKQCHJGDHISB-GFCCVEGCSA-N 303.318 1.602 5 50 DDBA Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCC[C@@H]1C(=O)O 158338055 NQYZDJIZPQJESQ-CYBMUJFWSA-N 321.333 1.781 5 50 DDBA O=C(NCCOCC(F)(F)F)c1ccc(O)c([N+](=O)[O-])c1 159972101 VLCYHPOXXODMBS-UHFFFAOYSA-N 308.212 1.609 5 50 DDBA O=C(NC1CC1)c1ccc(N2C[C@@H]3CC[C@H](C2)O3)c([N+](=O)[O-])c1 374093206 QNZILVAONMVMHI-BETUJISGSA-N 317.345 1.855 5 50 DDBA COC(=O)[C@@H](CCSC)NC(=O)c1ccc([N+](=O)[O-])cc1 2779363 JVHCJGKDVFLBER-LLVKDONJSA-N 312.347 1.619 5 50 DDBA Nc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)s1 4481870 AIKFIMKHXZRLMP-UHFFFAOYSA-N 311.348 1.759 5 50 DDBA Cc1nn(C(=O)CCCn2cc([N+](=O)[O-])cn2)c(C)c1[N+](=O)[O-] 12372154 GFGXYKNMPXKYQS-UHFFFAOYSA-N 322.281 1.633 5 50 DDBA Cc1nn(CC(=O)Nc2cccc3nn[nH]c23)c(C)c1[N+](=O)[O-] 19625985 VJYHYJZHIDFIEC-UHFFFAOYSA-N 315.293 1.318 5 50 DDBA O=C(O)[C@H]1[C@H](C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)[C@H]2C=C[C@H]1O2 239433130 XGHKLCSMNZGIHH-DDHJBXDOSA-N 322.248 1.327 5 50 DDBA O=C1C(N2CCOCC2)=CCCN1c1cccc([N+](=O)[O-])c1 214494779 MWDIVZZZAPFGFA-UHFFFAOYSA-N 303.318 1.548 5 50 DDBA O=C(NCCN1CCOCC1)c1ccc(Cl)cc1[N+](=O)[O-] 19733028 RVPYXPIPYIIUHN-UHFFFAOYSA-N 313.741 1.310 5 50 DDBA Cc1n[nH]c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nc1=O 4457668 DRIXLWNUIONUOI-UHFFFAOYSA-N 321.318 1.112 5 50 DDBA CCOc1ccc([C@@H]2NC(=O)NC(C)=C2[N+](=O)[O-])cc1OC 238092 DIUHRZFDPWMVKL-LBPRGKRZSA-N 307.306 1.956 5 50 DDBA CCS(=O)(=O)NCCNc1ccc([N+](=O)[O-])cc1Cl 4703739 XKVYEUFLDFIVLA-UHFFFAOYSA-N 307.759 1.599 5 50 DDBA CC[C@H](C)N(C)CCNC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] 269475173 VADLOVBIBFEREC-JTQLQIEISA-N 311.386 1.901 5 50 DDBA O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC=C(c2cccnc2)C1 328593407 XHSBGEHRTQENMJ-UHFFFAOYSA-N 313.317 1.502 5 50 DDBA C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)[C@@H](C)S(C)(=O)=O 170617921 QKFKHKQLULSSFQ-VHSXEESVSA-N 314.363 1.280 5 50 DDBA COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O 101358085 RCIPQFMRNBPBRC-WFFHOREQSA-N 316.269 1.046 5 50 DDBA NS(=O)(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 5259660 GXURTGGHGFXDRP-UHFFFAOYSA-N 321.314 1.495 5 50 DDBA COC(=O)C(C)(C(=O)OC)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 3883692 GSJYBPLNWGEKFM-UHFFFAOYSA-N 312.234 1.107 5 50 DDBA O=[N+]([O-])c1ccc(CN2CCC[C@@H](CN3CC[C@@H](O)C3)C2)cc1 585133207 ASUHABSOCMBFGM-NVXWUHKLSA-N 319.405 1.873 5 50 DDBA O=C1N[C@@]2(C(=O)NCc3ccccc3[N+](=O)[O-])C[C@H]3C[C@H]1[C@H]2C3 593032461 XKOHSBLEFVFYCR-AEPCNGEQSA-N 315.329 1.126 5 50 DDBA C[C@@H](CO)Nc1cc(I)ccc1[N+](=O)[O-] 1775991392 RQUSFYWPJVRINO-LURJTMIESA-N 322.102 1.992 5 50 DDBA O=C(COC[C@@H]1CCCO1)N1CCc2c1ccc([N+](=O)[O-])c2F 585124675 MIRQIUXACLHBKZ-JTQLQIEISA-N 324.308 1.819 5 50 DDBA O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2ncccn2)CC1 476671 FNXPPIHUJHPWLS-UHFFFAOYSA-N 313.317 1.347 5 50 DDBA NS(=O)(=O)c1ccc(N2C[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]32)c([N+](=O)[O-])c1 247708307 GSJMUGXWLXUBBD-CITXGKJTSA-N 323.374 1.477 5 50 DDBA CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 100070949 ZWSFKZZEYGSZRO-LBPRGKRZSA-N 305.290 1.786 5 50 DDBA COc1cccc(C(=O)NCCn2cc([N+](=O)[O-])cn2)c1OC 2798772 QHBPMCXZYQPLIV-UHFFFAOYSA-N 320.305 1.239 5 50 DDBA Cc1c(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cnn1C 2764394 NXHVRDCTPZNKDZ-UHFFFAOYSA-N 324.362 1.457 5 50 DDBA O=[N+]([O-])c1cnc(NCc2ccccc2Cn2cncn2)nc1 337824713 VBPZIWLKBQEBPQ-UHFFFAOYSA-N 311.305 1.637 5 50 DDBA Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1c1nn[nH]n1 952884026 RPWYIPINMQBBHK-LLVKDONJSA-N 317.309 1.785 5 50 DDBA CC(C)CN1CCN(c2cc(CO)ccc2[N+](=O)[O-])CC1=O 170086560 TZPAUEKMPPTXQP-UHFFFAOYSA-N 307.350 1.392 5 50 DDBA N[C@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccccc1[N+](=O)[O-] 369327192 PHDKBHVWCPDAHX-RTCCRHLQSA-N 311.363 1.238 5 50 DDBA Cc1nn(C)c(C)c1CN(C)C(=O)c1nn(C)c(C)c1[N+](=O)[O-] 2776758 XBJKYEGIBYBTTB-UHFFFAOYSA-N 320.353 1.259 5 50 DDBA CCOC(=O)c1n[nH]c([C@@H](C)Nc2ncccc2[N+](=O)[O-])n1 585093023 YNXPMGAJMPWTRR-SSDOTTSWSA-N 306.282 1.458 5 50 DDBA COC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccccc1[N+](=O)[O-] 132861 PYIQYGGHLDLQGJ-GFCCVEGCSA-N 315.289 1.648 5 50 DDBA C[C@H](CO)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 135609021 XWCUQYRNEMCHIB-SSDOTTSWSA-N 308.743 1.250 5 50 DDBA CC(C)[C@H](N)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 236729425 LHEUECODKFWLKK-AWEZNQCLSA-N 306.366 1.227 5 50 DDBA COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)c1ccccc1[N+](=O)[O-] 239761789 CKMSJAAODSOZCP-DUBDDPSESA-N 318.329 1.912 5 50 DDBA Cc1ccc(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2O3)cc1[N+](=O)[O-] 239159527 MGXPBFSXDVZTQW-FVCCEPFGSA-N 318.285 1.496 5 50 DDBA C[C@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H](C)O1 13942771 VKRZEOJRZIZNJT-AOOOYVTPSA-N 300.336 1.393 5 50 DDBA O=[N+]([O-])c1ccc(N2CCCC2)cc1NCCN1CCOCC1 19849688 FJMJCPLTLOJKMA-UHFFFAOYSA-N 320.393 1.939 5 50 DDBA CC(=O)c1cc2c(cc1NC(=O)c1n[nH]cc1[N+](=O)[O-])OCO2 6262492 SYMASFGMRCKSAK-UHFFFAOYSA-N 318.245 1.502 5 50 DDBA O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)[C@@H]1C[C@H]1[N+](=O)[O-] 242183860 XCMJLJXOHPFWMK-MXWKQRLJSA-N 319.144 1.808 5 50 DDBA CN(CCO)c1cc(N2CCCCC2)c([N+](=O)[O-])cc1[N+](=O)[O-] 3880485 YAZPPRBNIYRNOI-UHFFFAOYSA-N 324.337 1.922 5 50 DDBA COC(=O)C(C(=O)OC)c1cc(C)c([N+](=O)[O-])cc1[N+](=O)[O-] 15021101 RYAWZUFEAJRVCR-UHFFFAOYSA-N 312.234 1.241 5 50 DDBA in-vitro C[C@H]1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C[C@H]1C 253370388 QDRTZHLQNKWHQN-VHSXEESVSA-N 313.379 1.725 5 50 DDBA CO[C@@H]1C[C@@H](CO)N(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 284886938 RIFGULKCOJIMKC-WDEREUQCSA-N 319.317 1.298 5 50 DDBA COc1ccc(NC(=O)N2CCC[C@@H]2C(=O)O)cc1[N+](=O)[O-] 225573738 VPVLAASYDVYQOM-SECBINFHSA-N 309.278 1.684 5 50 DDBA N[C@H]1CCCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 170091506 ACHOBVRRQFQBAF-MFKMUULPSA-N 313.379 1.391 5 50 DDBA O=C(O)c1ccc2c(c1)C(=O)N(c1ncc([N+](=O)[O-])s1)C2=O 4695674 LZNJPFFFDSEXLN-UHFFFAOYSA-N 319.254 1.550 5 50 DDBA CC(C)C[C@@H](Nc1cc(F)c([N+](=O)[O-])cc1[N+](=O)[O-])C(N)=O 44075737 WCOZOJGXDVGGIK-SECBINFHSA-N 314.273 1.954 5 50 DDBA in-vitro C=CC(=O)N(CC)CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 1353885582 DYJXHSLQCMBRDQ-UHFFFAOYSA-N 317.345 1.514 5 50 DDBA COc1cc(N2C[C@H](C(N)=O)CC[C@H]2C)c(F)cc1[N+](=O)[O-] 170604145 VYJDGMZIZAJEPO-RKDXNWHRSA-N 311.313 1.833 5 50 DDBA O=C(Nc1ccc2c(c1)C(=O)NC2=O)c1cccc([N+](=O)[O-])c1 4263842 SSFIMDQVVHZOIQ-UHFFFAOYSA-N 311.253 1.731 5 50 DDBA COc1cc(C(=O)n2cc([N+](=O)[O-])cn2)cc(OC)c1OC 549181 LTZFYILVVCSTBR-UHFFFAOYSA-N 307.262 1.506 5 50 DDBA CCCN1CCN(c2ccc(C(=O)OC)cc2[N+](=O)[O-])CC1 32918608 NBNBAOPRASNOAI-UHFFFAOYSA-N 307.350 1.913 5 50 DDBA C[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@@H](CO)c3ccccc3)C[C@H]1C[C@@H]2O 226761523 IYSMYVOALXTCSU-WOYTXXSLSA-N 320.409 1.046 5 50 DDBA O=C(Cn1cc([N+](=O)[O-])cn1)n1cc(Br)cn1 1068556 ORUZJKAQTRCLMD-UHFFFAOYSA-N 300.072 1.091 5 50 DDBA COc1ccc(Nc2nc(-c3[nH]ncc3[N+](=O)[O-])n[nH]2)cc1 4625830 VRJYWFXUJLGDMH-UHFFFAOYSA-N 301.266 1.855 5 50 DDBA COC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 455805 XLBRNCDMOOIALA-UHFFFAOYSA-N 306.318 1.928 5 50 DDBA Cc1cc([N+](=O)[O-])nn1CCC(=O)Nc1ccc(C(=O)O)cc1 2808049 PKOHKOLENDXBMP-UHFFFAOYSA-N 318.289 1.827 5 50 DDBA COc1cnc(N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])nc1 337759577 JNNPBRJASBMSEM-UHFFFAOYSA-N 324.318 1.219 5 50 DDBA O=[N+]([O-])c1ccc(N2C[C@H](CO)C[C@H]2CO)cc1OC(F)F 1875289541 ZUTICRNEDKMGIW-SCZZXKLOSA-N 318.276 1.376 5 50 DDBA O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@H]3C2 239222090 UISPVILPNWSMGC-BIRIHMBJSA-N 302.286 1.731 5 50 DDBA O=C(N[C@@H]1CCC[C@H]2OCC[C@H]12)c1cccc([N+](=O)[O-])c1O 163390585 OFZOSGKWAWJJJI-IRUJWGPZSA-N 306.318 1.988 5 50 DDBA CC(C)NS(=O)(=O)CCNc1ncc(Cl)cc1[N+](=O)[O-] 178835104 PRNYEDNFFHYAKS-UHFFFAOYSA-N 322.774 1.383 5 50 DDBA O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CC[C@@H]2OCCC[C@@H]2C1 119273818 NQJHRROJZZGTAJ-RISCZKNCSA-N 306.318 1.942 5 50 DDBA C[C@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])N1CCc2ccccc2C1 252517300 FBSIAVSNYBLIEM-KCPJHIHWSA-N 303.362 1.215 5 50 DDBA COC(=O)c1cc(C(=O)NCCCN(C)C)cc([N+](=O)[O-])c1 2932166 SYIYJYHSGLCBKZ-UHFFFAOYSA-N 309.322 1.063 5 50 DDBA c1ccc2c(OC[C@H]3C[N+]45CCO[B-]4(OCC5)O3)cccc2c1 195811374 VWDIAXNBTXCLIZ-VNCLNFNDSA-N 313.162 1.930 5 50 DDBA Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@]3(CCCOC3)C2)n1 408093401 BNSMYWQMHPATGR-AWEZNQCLSA-N 308.338 1.361 5 50 DDBA COC(=O)C1=C(C)NC(=S)N[C@H]1c1cccc([N+](=O)[O-])c1 285087 WKXYLZFLLHRNCP-NSHDSACASA-N 307.331 1.561 5 50 DDBA biogenic Cc1nn(C(F)F)c(C)c1C(=O)Nn1cc([N+](=O)[O-])cn1 6525979 VWEUODWFZHILNV-UHFFFAOYSA-N 300.225 1.384 5 50 DDBA CC1(C)[C@H](NC(=O)c2cccc([N+](=O)[O-])c2O)[C@@H]2CCO[C@H]21 230181576 QDUMGXPHOAWVIU-ZWKOPEQDSA-N 306.318 1.844 5 50 DDBA Cn1ncc([N+](=O)[O-])c1NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 184407585 HKXWBALWRTVSON-VIFPVBQESA-N 321.337 1.058 5 50 DDBA CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)C1 221882404 DNNGPTGDVPUIIW-SMDDNHRTSA-N 319.361 1.857 5 50 DDBA O=C(Nc1ncc([N+](=O)[O-])s1)[C@@H]1COc2ccccc2O1 5013950 UJQWTYBGEWAHFC-VIFPVBQESA-N 307.287 1.830 5 50 DDBA O=C(CNC(=O)c1ccco1)OCc1cccc([N+](=O)[O-])c1 466885 BXVCMSLKQZXOED-UHFFFAOYSA-N 304.258 1.661 5 50 DDBA Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)[C@H]1C[C@H]1[N+](=O)[O-] 248086792 SNAQHXUZKQFKST-DARAHFNDSA-N 315.373 1.795 5 50 DDBA COC(=O)C1=CNC=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1 20220439 FOOMMWCXQBPUIU-UHFFFAOYSA-N 318.285 1.395 5 50 DDBA Cc1ccc(CN2CC[C@@H](C)S(=O)(=O)CC2)cc1[N+](=O)[O-] 192049484 WJPHYKFVNDRNTQ-GFCCVEGCSA-N 312.391 1.912 5 50 DDBA CCc1cnc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C)[nH]1 1665499331 JUEJXXAPZWCAQL-UHFFFAOYSA-N 324.362 1.667 5 50 DDBA COc1c([N+](=O)[O-])cc(-c2nc3nnc(C)n3[nH]2)cc1[N+](=O)[O-] 2892528 LACGKXMAGIITAP-UHFFFAOYSA-N 319.237 1.253 5 50 DDBA CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1O 252587393 XWYDDLVIRDDWFG-YPMHNXCESA-N 319.361 1.999 5 50 DDBA C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)n1cc([N+](=O)[O-])cn1 355697 DPBCVKLJPZXKPL-MRVPVSSYSA-N 303.278 1.090 5 50 DDBA CCOC(=O)CNC(=O)Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3086088 BSBBLILEZOBMGB-UHFFFAOYSA-N 312.238 1.188 5 50 DDBA Cc1ccnc(N2CCC[C@H](Cc3nn[nH]n3)C2)c1[N+](=O)[O-] 1775984981 XQHZXFWMEBINEE-SNVBAGLBSA-N 303.326 1.270 5 50 DDBA Cc1c(NC(=O)N[C@H]2C(=O)NCC2(C)C)cccc1[N+](=O)[O-] 585120111 ROSRBWXZFGCZOO-NSHDSACASA-N 306.322 1.549 5 50 DDBA COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc([N+](=O)[O-])cc1 71013 MXNZAGCNJDBAQG-NSHDSACASA-N 316.277 1.043 5 50 DDBA Cc1cnc([N+](=O)[O-])n1CCOC(=O)NC(=O)c1cccs1 1422271 DMULHANPXAPJAN-UHFFFAOYSA-N 324.318 1.728 5 50 DDBA Cc1cc(C2=CCN(CC3OCCO3)CC2)cc([N+](=O)[O-])c1N 2325726968 IGVVAROGZHYINS-UHFFFAOYSA-N 319.361 1.947 5 50 DDBA CCOC(=O)CN1C(=O)C[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O 100324840 NMRPOHVKAQYACD-NSHDSACASA-N 306.274 1.000 5 50 DDBA Cc1nc([C@@H](C)NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)n[nH]1 343328985 BHYUSLZDLRTNDC-MRVPVSSYSA-N 321.341 1.102 5 50 DDBA CN(C)CC[C@@H]1CCCN1C(=O)CCn1cc([N+](=O)[O-])cn1 1615615991 ZZSPDVPTSUQQEG-LBPRGKRZSA-N 309.370 1.124 5 50 DDBA Cc1cc(C(=O)N[C@@H]2CC(=O)N(C(C)C)C2=O)ccc1[N+](=O)[O-] 177568992 MXQSTGNTVVJZJC-LLVKDONJSA-N 319.317 1.169 5 50 DDBA COC(=O)c1cc(C(=O)N[C@@H]2CCC[C@H]2OC)cc([N+](=O)[O-])c1 225483921 VDEBLMMFFBDXMF-CHWSQXEVSA-N 322.317 1.679 5 50 DDBA COC(=O)N1CC(C)(NC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 1332028718 DPNAOJHAGULAFM-UHFFFAOYSA-N 322.321 1.865 5 50 DDBA C[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12 298044 WGQIDENZQJCDIA-FJJYHAOUSA-N 300.270 1.428 5 50 DDBA Cc1cc(NC(=O)Cn2cc([N+](=O)[O-])cn2)ccc1CN(C)C 408520055 VJIQBZBMAKRBQP-UHFFFAOYSA-N 317.349 1.800 5 50 DDBA O=Cc1cc([N+](=O)[O-])c(N2CCOCC2)cc1N1CCOCC1 4088131 UXVCMXBWSPHLFM-UHFFFAOYSA-N 321.333 1.081 5 50 DDBA Cc1nc(N2CCN(Cc3cnccn3)CC2)ccc1[N+](=O)[O-] 952877194 MRFCIIMWXAAWRW-UHFFFAOYSA-N 314.349 1.410 5 50 DDBA CC(C)[C@H]1CN(CCn2cc(Cl)c([N+](=O)[O-])n2)CCO1 585133843 XIHBJUTUGSPJCM-LLVKDONJSA-N 302.762 1.802 5 50 DDBA CC(=O)N1N=C2C3CCN(CC3)[C@H]2[C@H]1c1cccc([N+](=O)[O-])c1 19732242 QMRWUEGSQCBNKA-HZPDHXFCSA-N 314.345 1.948 5 50 DDBA C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@@H]21 100036760 LZCOQTDXKCNBEE-BPXZUEPWSA-N 318.393 1.063 5 50 DDBA fda O=[N+]([O-])c1ccccc1S(=O)(=O)NCCOc1ccccc1 3065962 HBVLPUBTEXIGNQ-UHFFFAOYSA-N 322.342 1.952 5 50 DDBA CC(=O)c1cc([N+](=O)[O-])ccc1NCC(=O)NCC(F)(F)F 252489527 JSLQAHMPBVPFPS-UHFFFAOYSA-N 319.239 1.888 5 50 DDBA Cn1nnnc1-c1cccc(NC(=O)CCC(C)(C)[N+](=O)[O-])c1 294255046 CJVCPZRAUZASCW-UHFFFAOYSA-N 318.337 1.651 5 50 DDBA Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1cccnc1 4116677 UJBQAMLGEHHEGR-UHFFFAOYSA-N 307.331 1.777 5 50 DDBA CCCNc1c([N+](=O)[O-])cc(S(C)(=O)=O)cc1[N+](=O)[O-] 4773221 DFNAFDHFFUVITM-UHFFFAOYSA-N 303.296 1.728 5 50 DDBA Cn1cncc1CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 170594361 CXTQVJQOEJTSNL-UHFFFAOYSA-N 324.362 1.386 5 50 DDBA Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 13388655 QIGZIZKEQJVHDE-UHFFFAOYSA-N 320.330 1.717 5 50 DDBA Cc1nnc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)s1 2854873 VPZPFFUOYCBCHM-UHFFFAOYSA-N 322.302 1.550 5 50 DDBA CN1C=CC(C(=O)NCCC[N+]2(C)CCCC2)=C/C1=C/N=O 334159194 RUWCDRRZEWZMMR-SQFISAMPSA-O 305.402 1.726 5 50 DDBA Cc1cc(N2CCC(Cc3nn[nH]n3)CC2)ncc1[N+](=O)[O-] 1775984849 SDBXTEYAZCKFKA-UHFFFAOYSA-N 303.326 1.270 5 50 DDBA Cc1c(NC(=O)NCCOC(=O)C2CC2)cccc1[N+](=O)[O-] 585119340 CRRRYMDWEIIDIY-UHFFFAOYSA-N 307.306 1.978 5 50 DDBA CN(CCCNC(=O)C1CCC1)c1cc(N)ccc1[N+](=O)[O-] 408515950 PSCNYYZGRHZAOZ-UHFFFAOYSA-N 306.366 1.920 5 50 DDBA O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)c1ccc(O)c([N+](=O)[O-])c1 157189490 CQADNTWGSVTSJQ-BXUZGUMPSA-N 306.318 1.988 5 50 DDBA O=C(c1ccc([N+](=O)[O-])cc1)N1N=CC[C@@]1(O)C(F)(F)F 6926288 VQGOKTVOAMBNNA-SNVBAGLBSA-N 303.196 1.677 5 50 DDBA Cc1nc(N[C@@H]2CNc3c(c(C)nn3C)C2)ccc1[N+](=O)[O-] 952992888 AFNHUHWYRQCGFO-JTQLQIEISA-N 302.338 1.789 5 50 DDBA C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CCN1 4551513 KXFXSEAONYTOJI-GFCCVEGCSA-N 306.366 1.230 5 50 DDBA O=C(O)C[C@H](NC(=O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 2581752 OJABKAZQBHGKTP-QMMMGPOBSA-N 306.196 1.789 5 50 DDBA COc1ccc(S(=O)(=O)N2CC[C@H]2C(F)F)cc1[N+](=O)[O-] 585134709 HDHBLXYGYDQUQJ-QMMMGPOBSA-N 322.289 1.632 5 50 DDBA CC(C)[C@@H]1CNCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 599102497 OMPPOEULGDMLDH-LBPRGKRZSA-N 313.379 1.213 5 50 DDBA O=C1CC[C@@H]2CN(c3c([N+](=O)[O-])ccc4n[nH]cc34)CCN12 1776006510 QTLSVMSNCRMTFC-SECBINFHSA-N 301.306 1.282 5 50 DDBA CC(=O)c1ccc(N[C@@H](CO)Cc2cnn(C)c2)c([N+](=O)[O-])c1 408523367 JMXYBJVJJQPVJC-CYBMUJFWSA-N 318.333 1.546 5 50 DDBA C[C@@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc2c(c1)OCO2 374456 PKZAGUYBZMMVSE-MRVPVSSYSA-N 318.289 1.548 5 50 DDBA Nc1nc(C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)ccc1[N+](=O)[O-] 170594332 DADBRCWNHVSPHP-CMPLNLGQSA-N 316.292 1.997 5 50 DDBA O=[N+]([O-])c1ccccc1NCCNS(=O)(=O)c1ccccc1 4551117 WNUJEAMUSLEPNV-UHFFFAOYSA-N 321.358 1.985 5 50 DDBA COc1ccc2c3c1O[C@@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)[N+](C)(C)CC[C@]314 247650109 MLIBORQWQWVNCO-SCCROHOISA-N 314.405 1.646 5 50 DDBA biogenic COCCCNc1ccc([N+](=O)[O-])cc1C(=O)N1CCNCC1 4839229 ABMRIVJIZPUBBJ-UHFFFAOYSA-N 322.365 1.089 5 50 DDBA NC(=O)c1ccc(CN2CCO[C@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 230126991 UVJJWFVDQPOOHX-HIFRSBDPSA-N 319.361 1.837 5 50 DDBA Cc1cc(C)c(S(=O)(=O)NCCCC(=O)O)cc1[N+](=O)[O-] 262451001 FTALRBPOKCFTBC-UHFFFAOYSA-N 316.335 1.355 5 50 DDBA CC[C@@H](Sc1nnnn1C)C(=O)Nc1cccc([N+](=O)[O-])c1 621685 PMIAANYWSLKYKY-SNVBAGLBSA-N 322.350 1.628 5 50 DDBA CN([C@@H](CO)C(C)(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 128457104 UCZCLJXOGNSICP-LBPRGKRZSA-N 316.379 1.622 5 50 DDBA O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccno2)c(Cl)c1 351919105 MIOVVEHBKQEIOF-UHFFFAOYSA-N 317.710 1.715 5 50 DDBA O=[N+]([O-])c1cnc(N2CCC[C@H](c3nnc4n3CCC4)C2)s1 192451881 AXGSCNYVTHUCCO-VIFPVBQESA-N 320.378 1.973 5 50 DDBA CCN(c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-])[C@H]1CCOC1 328593986 GHMQQDQPWUJAGQ-JTQLQIEISA-N 309.322 1.700 5 50 DDBA COc1cc(CN2CCCC[C@H]2CO)c([N+](=O)[O-])cc1OC 4947553 XNFLMYHFXMQTQQ-LBPRGKRZSA-N 310.350 1.959 5 50 DDBA CC(C)(CCC(=O)O)NC(=O)COc1ccc([N+](=O)[O-])cc1 262033105 ZALHXRCXOHKWGT-UHFFFAOYSA-N 310.306 1.733 5 50 DDBA CCOC(=O)Cn1cc([N+](=O)[O-])s/c1=N\C(=O)OCC 71767303 GIIXSFCNKBXMSE-LUAWRHEFSA-N 303.296 1.078 5 50 DDBA NC(=O)c1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 6214069 WMUODVQJKLVMSA-UHFFFAOYSA-N 321.314 1.495 5 50 DDBA CN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br 5063232 BIIZNMNSUIMSJP-UHFFFAOYSA-N 302.128 1.857 5 50 DDBA CCc1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 2483704 BCUJNAKCLZNDSE-UHFFFAOYSA-N 314.348 1.810 5 50 DDBA NC(=O)c1ccsc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 1055496 WRPSNTKKYWGJBO-UHFFFAOYSA-N 305.315 1.936 5 50 DDBA Cc1nn(CC(=O)Nc2ccc(C(N)=O)cc2)c(C)c1[N+](=O)[O-] 2884406 QWAKNPGZPJQQJX-UHFFFAOYSA-N 317.305 1.146 5 50 DDBA COc1ccc(CNC(=O)Cn2nc([N+](=O)[O-])cc2C)cc1 4712883 IUOKXWYHTHMGEG-UHFFFAOYSA-N 304.306 1.425 5 50 DDBA